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 1c30_1_C DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVILVNSN DATA SEQUENCE PATIMTDPEM ADATYIEPIH WEVVRKIIEK ERPDAVLPTM GGQTALNCAL DATA SEQUENCE ELERQGVLEE FGVTMIGATA DAIDKAEDRR RFDVAMKKIG LETARSGIAH DATA SEQUENCE TMEEALAVAA DVGFPCIIRP SFTMGGSGGG IAYNREEFEE ICARGLDLSP DATA SEQUENCE TKELLIDESL IGWKEYEMEV VRDKNDNCII VCSIENFDAM GIHTGDSITV DATA SEQUENCE APAQTLTDKE YQIMRNASMA VLREIGVETG GSNVQFAVNP KNGRLIVIEM DATA SEQUENCE NPRVSRSSAL ASKATGFPIA KVAAKLAVGY TLDELMNDIT GGRTPASFEP DATA SEQUENCE SIDYVVTKIP RFNFEKFAGA NDRLTTQMKS VGEVMAIGRT QQESLQKALR DATA SEQUENCE GLEVGATGFD PKVSLDDPEA LTKIRRELKD AGADRIWYIA DAFRAGLSVD DATA SEQUENCE GVFNLTNIDR WFLVQIEELV RLEEKVAEVG ITGLNADFLR QLKRKGFADA DATA SEQUENCE RLAKLAGVRE AEIRKLRDQY DLHPVYKRVD TCAAEFATDT AYMYSTYEEE DATA SEQUENCE CEANPSTDRE KIMVLGGGPN RIGQGIEFDY CCVHASLALR EDGYETIMVN DATA SEQUENCE CNPETVSTDY DTSDRLYFEP VTLEDVLEIV RIEKPKGVIV QYGGQTPLKL DATA SEQUENCE ARALEAAGVP VIGTSPDAID RAEDRERFQH AVERLKLKQP ANATVTAIEM DATA SEQUENCE AVEKAKEIGY PLVVRPXXXX XXXAMEIVYD EADLRRYFQT AXXXXXXXXV DATA SEQUENCE LLDHFLDDAV EVDVDAICDG EMVLIGGIME HIEQAGVHSG DSACSLPAYT DATA SEQUENCE LSQEIQDVMR QQVQKLAFEL QVRGLMNVQF AVKNNEVYLI EVNPRAARTV DATA SEQUENCE PFVSKATGVP LAKVAARVMA GKSLAEQGVT KEVIPPYYSV KEVVLPFNKF DATA SEQUENCE PGVDPLLGPE MRSTGEVMGV GRTFAEAFAK AQLGSNSTMK KHGRALLSVR DATA SEQUENCE EGDKERVVDL AAKLLKQGFE LDATHGTAIV LGEAGINPRL VNKVHEGRPH DATA SEQUENCE IQDRIKNGEY TYIINTTSGR RAIEDSRVIR RSALQYKVHY DTTLNGGFAT DATA SEQUENCE AMALNADATE KVISVQEMHA QIK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.271 176.300 -0.048 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1 M CB 0.000 32.591 32.600 -0.016 0.000 1.302 2 P HA 0.189 nan 4.420 nan 0.000 0.306 2 P C -1.454 175.550 177.300 -0.494 0.000 1.301 2 P CA -0.319 62.615 63.100 -0.277 0.000 0.744 2 P CB -0.025 31.571 31.700 -0.173 0.000 1.400 3 K N 0.162 120.091 120.400 -0.784 0.000 2.382 3 K HA 0.122 4.443 4.320 0.001 0.000 0.275 3 K C -0.001 176.499 176.600 -0.166 0.000 1.009 3 K CA -0.131 55.816 56.287 -0.567 0.000 0.970 3 K CB 0.396 32.646 32.500 -0.417 0.000 0.934 3 K HN 0.178 nan 8.250 nan 0.000 0.479 4 R N 1.330 121.816 120.500 -0.023 0.000 2.491 4 R HA 0.004 4.345 4.340 0.001 0.000 0.283 4 R C 0.696 177.049 176.300 0.089 0.000 1.072 4 R CA 0.431 56.553 56.100 0.037 0.000 1.048 4 R CB 0.603 30.939 30.300 0.059 0.000 0.983 4 R HN 0.924 nan 8.270 nan 0.000 0.450 5 T N -2.813 111.765 114.554 0.040 0.000 3.023 5 T HA -0.026 4.324 4.350 0.001 0.000 0.253 5 T C 0.795 175.522 174.700 0.044 0.000 1.038 5 T CA 0.007 62.125 62.100 0.030 0.000 0.962 5 T CB 0.124 68.991 68.868 -0.002 0.000 1.018 5 T HN 0.607 nan 8.240 nan 0.000 0.521 6 D N 1.387 121.818 120.400 0.052 0.000 2.355 6 D HA 0.117 4.757 4.640 0.001 0.000 0.218 6 D C 0.416 176.758 176.300 0.070 0.000 1.004 6 D CA -0.052 53.977 54.000 0.048 0.000 0.880 6 D CB -0.221 40.600 40.800 0.034 0.000 0.911 6 D HN 0.472 nan 8.370 nan 0.000 0.528 7 I N -0.283 120.356 120.570 0.114 0.000 2.545 7 I HA 0.301 4.472 4.170 0.001 0.000 0.292 7 I C 0.738 177.006 176.117 0.252 0.000 1.040 7 I CA -0.740 60.650 61.300 0.151 0.000 1.068 7 I CB 2.478 40.557 38.000 0.131 0.000 1.251 7 I HN -0.323 nan 8.210 nan 0.000 0.424 8 K N 2.434 122.958 120.400 0.207 0.000 2.491 8 K HA 0.197 4.518 4.320 0.001 0.000 0.211 8 K C 0.076 176.828 176.600 0.254 0.000 1.210 8 K CA 0.093 56.504 56.287 0.207 0.000 1.003 8 K CB 1.058 33.606 32.500 0.080 0.000 1.009 8 K HN 0.639 nan 8.250 nan 0.000 0.577 9 S N 1.050 116.866 115.700 0.193 0.000 2.614 9 S HA 0.635 5.106 4.470 0.001 0.000 0.288 9 S C -0.661 173.991 174.600 0.087 0.000 1.137 9 S CA -0.840 57.442 58.200 0.137 0.000 0.992 9 S CB 1.085 64.340 63.200 0.092 0.000 1.026 9 S HN 0.112 nan 8.310 nan 0.000 0.486 10 I N 2.982 123.590 120.570 0.063 0.000 2.569 10 I HA 0.516 4.687 4.170 0.001 0.000 0.296 10 I C -1.080 175.051 176.117 0.024 0.000 1.028 10 I CA -1.055 60.252 61.300 0.011 0.000 1.082 10 I CB 2.061 40.024 38.000 -0.062 0.000 1.264 10 I HN 0.645 nan 8.210 nan 0.000 0.429 11 L N 7.109 128.341 121.223 0.015 0.000 2.287 11 L HA 0.622 4.962 4.340 0.001 0.000 0.287 11 L C -0.974 175.904 176.870 0.013 0.000 1.022 11 L CA 0.084 54.937 54.840 0.021 0.000 0.814 11 L CB 0.815 42.880 42.059 0.010 0.000 1.217 11 L HN 0.422 nan 8.230 nan 0.000 0.420 12 I N 5.921 126.504 120.570 0.022 0.000 2.377 12 I HA 0.307 4.478 4.170 0.001 0.000 0.293 12 I C -0.585 175.542 176.117 0.017 0.000 0.987 12 I CA -0.570 60.739 61.300 0.015 0.000 1.185 12 I CB 1.570 39.580 38.000 0.016 0.000 1.341 12 I HN 0.490 nan 8.210 nan 0.000 0.455 13 L N 6.135 127.361 121.223 0.004 0.000 2.278 13 L HA 0.413 4.754 4.340 0.001 0.000 0.287 13 L C 0.959 177.823 176.870 -0.011 0.000 1.072 13 L CA -0.314 54.524 54.840 -0.003 0.000 0.819 13 L CB 0.720 42.771 42.059 -0.013 0.000 1.176 13 L HN 0.689 nan 8.230 nan 0.000 0.435 14 G N 1.715 110.516 108.800 0.002 0.000 2.651 14 G HA2 0.344 4.304 3.960 0.001 0.000 0.260 14 G HA3 0.344 4.304 3.960 0.001 0.000 0.260 14 G C 0.798 175.676 174.900 -0.036 0.000 1.216 14 G CA 0.164 45.267 45.100 0.006 0.000 0.913 14 G HN 0.782 nan 8.290 nan 0.000 0.535 15 A N -0.816 121.984 122.820 -0.034 0.000 2.132 15 A HA 0.550 4.871 4.320 0.001 0.000 0.213 15 A C 1.614 179.173 177.584 -0.042 0.000 1.154 15 A CA 1.534 53.508 52.037 -0.106 0.000 0.753 15 A CB -0.842 18.066 19.000 -0.154 0.000 0.826 15 A HN 2.555 nan 8.150 nan 0.000 0.469 16 G N -0.796 108.004 108.800 -0.000 0.000 2.660 16 G HA2 -0.073 3.887 3.960 0.001 0.000 0.215 16 G HA3 -0.073 3.887 3.960 0.001 0.000 0.215 16 G C -2.982 171.926 174.900 0.014 0.000 1.345 16 G CA -0.434 44.667 45.100 0.001 0.000 0.877 16 G HN 0.382 nan 8.290 nan 0.000 0.549 17 P HA 0.393 nan 4.420 nan 0.000 0.269 17 P C 0.361 177.668 177.300 0.012 0.000 1.215 17 P CA -0.308 62.789 63.100 -0.004 0.000 0.780 17 P CB 0.340 32.023 31.700 -0.027 0.000 0.898 18 I N 2.231 122.809 120.570 0.014 0.000 2.618 18 I HA 0.086 4.256 4.170 0.001 0.000 0.284 18 I C 0.918 177.037 176.117 0.002 0.000 1.146 18 I CA 0.014 61.330 61.300 0.026 0.000 1.425 18 I CB -0.153 37.858 38.000 0.020 0.000 1.383 18 I HN 0.218 nan 8.210 nan 0.000 0.562 19 V N 4.898 124.816 119.914 0.006 0.000 3.159 19 V HA 0.567 4.687 4.120 0.001 0.000 0.308 19 V C -0.082 175.995 176.094 -0.029 0.000 1.190 19 V CA -1.198 61.088 62.300 -0.024 0.000 1.037 19 V CB 1.995 33.797 31.823 -0.036 0.000 1.060 19 V HN 0.443 nan 8.190 nan 0.000 0.437 20 I N 2.457 122.987 120.570 -0.066 0.000 2.668 20 I HA 0.416 4.587 4.170 0.001 0.000 0.285 20 I C 1.570 177.638 176.117 -0.080 0.000 1.168 20 I CA 1.928 63.177 61.300 -0.084 0.000 1.424 20 I CB 0.534 38.450 38.000 -0.139 0.000 1.377 20 I HN 1.288 nan 8.210 nan 0.000 0.560 21 G N 4.786 113.549 108.800 -0.061 0.000 2.217 21 G HA2 -0.291 3.670 3.960 0.001 0.000 0.246 21 G HA3 -0.291 3.670 3.960 0.001 0.000 0.246 21 G C 0.289 175.222 174.900 0.056 0.000 0.990 21 G CA 0.156 45.229 45.100 -0.044 0.000 0.627 21 G HN 0.623 nan 8.290 nan 0.000 0.522 22 Q N -0.013 119.841 119.800 0.090 0.000 3.412 22 Q HA 0.669 5.010 4.340 0.001 0.000 0.219 22 Q C 0.140 176.271 176.000 0.219 0.000 0.913 22 Q CA 0.410 56.361 55.803 0.248 0.000 0.722 22 Q CB 0.651 29.486 28.738 0.162 0.000 1.385 22 Q HN 0.880 nan 8.270 nan 0.000 0.461 23 A N 0.355 123.273 122.820 0.163 0.000 3.687 23 A HA 0.382 4.703 4.320 0.001 0.000 0.164 23 A C 1.119 178.733 177.584 0.049 0.000 1.564 23 A CA -0.107 51.974 52.037 0.073 0.000 0.896 23 A CB -0.339 18.663 19.000 0.003 0.000 1.731 23 A HN 0.827 nan 8.150 nan 0.000 0.607 24 C N 1.066 120.366 119.300 -0.001 0.000 2.410 24 C HA -0.089 4.371 4.460 0.001 0.000 0.281 24 C C 2.453 177.419 174.990 -0.039 0.000 1.318 24 C CA 1.001 60.024 59.018 0.009 0.000 1.776 24 C CB -1.495 26.255 27.740 0.015 0.000 1.942 24 C HN 0.854 nan 8.230 nan 0.000 0.508 25 E N 1.505 121.578 120.200 -0.213 0.000 2.284 25 E HA -0.239 4.111 4.350 0.001 0.000 0.200 25 E C 1.326 177.702 176.600 -0.373 0.000 1.008 25 E CA 1.639 57.845 56.400 -0.323 0.000 0.829 25 E CB -0.695 28.700 29.700 -0.508 0.000 0.744 25 E HN 0.649 nan 8.360 nan 0.000 0.491 26 F N 1.273 121.291 119.950 0.113 0.000 2.664 26 F HA 0.101 4.628 4.527 0.001 0.000 0.296 26 F C 2.041 177.883 175.800 0.071 0.000 1.125 26 F CA 0.686 58.733 58.000 0.078 0.000 1.444 26 F CB -0.216 38.814 39.000 0.049 0.000 1.114 26 F HN 0.033 nan 8.300 nan 0.000 0.576 27 D N -0.916 119.607 120.400 0.204 0.000 2.183 27 D HA -0.204 4.437 4.640 0.001 0.000 0.205 27 D C 2.166 178.550 176.300 0.140 0.000 0.962 27 D CA 0.887 54.983 54.000 0.160 0.000 0.849 27 D CB -0.296 40.591 40.800 0.145 0.000 0.978 27 D HN 0.255 nan 8.370 nan 0.000 0.488 28 Y N 1.235 121.546 120.300 0.020 0.000 2.114 28 Y HA -0.197 4.354 4.550 0.001 0.000 0.284 28 Y C 2.487 178.394 175.900 0.013 0.000 1.143 28 Y CA 2.623 60.721 58.100 -0.003 0.000 1.135 28 Y CB -0.868 37.572 38.460 -0.034 0.000 0.980 28 Y HN 0.079 nan 8.280 nan 0.000 0.499 29 S N -0.489 115.099 115.700 -0.187 0.000 2.387 29 S HA -0.035 4.435 4.470 0.001 0.000 0.226 29 S C 2.312 176.860 174.600 -0.087 0.000 1.026 29 S CA 0.928 58.999 58.200 -0.215 0.000 0.972 29 S CB -1.349 61.869 63.200 0.029 0.000 0.814 29 S HN 0.562 nan 8.310 nan 0.000 0.477 30 G N 1.346 110.162 108.800 0.028 0.000 2.402 30 G HA2 0.094 4.055 3.960 0.001 0.000 0.216 30 G HA3 0.094 4.055 3.960 0.001 0.000 0.216 30 G C 1.698 176.594 174.900 -0.007 0.000 1.162 30 G CA 0.748 45.870 45.100 0.038 0.000 0.777 30 G HN 0.803 nan 8.290 nan 0.000 0.539 31 A N 0.116 122.922 122.820 -0.025 0.000 1.969 31 A HA -0.027 4.293 4.320 0.001 0.000 0.218 31 A C 2.300 179.834 177.584 -0.083 0.000 1.169 31 A CA 1.759 53.776 52.037 -0.032 0.000 0.635 31 A CB -0.312 18.681 19.000 -0.011 0.000 0.810 31 A HN 0.449 nan 8.150 nan 0.000 0.445 32 Q N -0.797 118.901 119.800 -0.170 0.000 2.079 32 Q HA -0.071 4.269 4.340 0.001 0.000 0.200 32 Q C 2.483 178.425 176.000 -0.097 0.000 0.974 32 Q CA 1.186 56.878 55.803 -0.186 0.000 0.840 32 Q CB -0.321 28.218 28.738 -0.331 0.000 0.898 32 Q HN 0.686 nan 8.270 nan 0.000 0.430 33 A N 0.381 123.159 122.820 -0.071 0.000 1.877 33 A HA -0.208 4.113 4.320 0.001 0.000 0.216 33 A C 2.367 179.943 177.584 -0.014 0.000 1.186 33 A CA 1.381 53.400 52.037 -0.031 0.000 0.620 33 A CB -1.048 17.943 19.000 -0.015 0.000 0.822 33 A HN 0.486 nan 8.150 nan 0.000 0.443 34 C N -0.735 118.560 119.300 -0.009 0.000 2.413 34 C HA -0.110 4.351 4.460 0.001 0.000 0.276 34 C C 2.750 177.748 174.990 0.014 0.000 1.236 34 C CA 1.518 60.542 59.018 0.010 0.000 1.735 34 C CB -1.036 26.712 27.740 0.014 0.000 2.031 34 C HN 0.771 nan 8.230 nan 0.000 0.474 35 K N 1.104 121.502 120.400 -0.005 0.000 2.032 35 K HA -0.156 4.165 4.320 0.001 0.000 0.209 35 K C 2.097 178.704 176.600 0.011 0.000 1.048 35 K CA 1.791 58.076 56.287 -0.003 0.000 0.927 35 K CB -0.363 32.121 32.500 -0.028 0.000 0.712 35 K HN 0.391 nan 8.250 nan 0.000 0.441 36 A N 1.350 124.171 122.820 0.001 0.000 1.865 36 A HA -0.150 4.171 4.320 0.001 0.000 0.217 36 A C 2.184 179.809 177.584 0.068 0.000 1.191 36 A CA 1.725 53.771 52.037 0.014 0.000 0.623 36 A CB -0.815 18.182 19.000 -0.006 0.000 0.826 36 A HN 0.346 nan 8.150 nan 0.000 0.444 37 L N -1.261 120.004 121.223 0.070 0.000 2.017 37 L HA -0.201 4.139 4.340 0.001 0.000 0.208 37 L C 2.829 179.838 176.870 0.232 0.000 1.073 37 L CA 1.887 56.811 54.840 0.139 0.000 0.745 37 L CB -0.613 41.462 42.059 0.028 0.000 0.894 37 L HN 0.451 nan 8.230 nan 0.000 0.432 38 R N 0.588 121.167 120.500 0.133 0.000 2.083 38 R HA -0.214 4.127 4.340 0.001 0.000 0.237 38 R C 2.181 178.539 176.300 0.096 0.000 1.137 38 R CA 1.872 58.038 56.100 0.110 0.000 0.951 38 R CB -0.169 30.168 30.300 0.062 0.000 0.851 38 R HN 0.411 nan 8.270 nan 0.000 0.434 39 E N -0.002 120.245 120.200 0.079 0.000 2.114 39 E HA -0.195 4.155 4.350 0.001 0.000 0.199 39 E C 1.113 177.756 176.600 0.071 0.000 1.008 39 E CA 1.198 57.631 56.400 0.055 0.000 0.810 39 E CB 0.014 29.734 29.700 0.033 0.000 0.739 39 E HN 0.378 nan 8.360 nan 0.000 0.456 40 E N -0.434 119.852 120.200 0.143 0.000 2.359 40 E HA 0.051 4.401 4.350 0.001 0.000 0.187 40 E C 0.775 177.346 176.600 -0.048 0.000 1.081 40 E CA 0.484 56.980 56.400 0.160 0.000 0.929 40 E CB 0.484 30.435 29.700 0.418 0.000 1.086 40 E HN 0.399 nan 8.360 nan 0.000 0.462 41 G N 1.183 109.957 108.800 -0.042 0.000 2.160 41 G HA2 -0.311 3.650 3.960 0.001 0.000 0.251 41 G HA3 -0.311 3.650 3.960 0.001 0.000 0.251 41 G C -0.200 174.556 174.900 -0.241 0.000 1.008 41 G CA 0.212 45.225 45.100 -0.146 0.000 0.724 41 G HN 0.267 nan 8.290 nan 0.000 0.514 42 Y N -0.701 119.623 120.300 0.041 0.000 2.335 42 Y HA 0.598 5.149 4.550 0.001 0.000 0.323 42 Y C 1.156 177.074 175.900 0.030 0.000 1.224 42 Y CA -0.930 57.192 58.100 0.037 0.000 1.241 42 Y CB 0.869 39.355 38.460 0.043 0.000 1.235 42 Y HN 0.084 nan 8.280 nan 0.000 0.492 43 R N 2.034 122.659 120.500 0.208 0.000 2.196 43 R HA 0.408 4.748 4.340 0.001 0.000 0.340 43 R C -1.269 175.106 176.300 0.125 0.000 1.043 43 R CA -0.457 55.717 56.100 0.124 0.000 0.883 43 R CB 0.620 30.976 30.300 0.093 0.000 1.078 43 R HN 0.586 nan 8.270 nan 0.000 0.462 44 V N 6.751 126.723 119.914 0.097 0.000 2.394 44 V HA 0.483 4.604 4.120 0.001 0.000 0.282 44 V C -0.538 175.594 176.094 0.063 0.000 1.031 44 V CA -0.540 61.805 62.300 0.075 0.000 0.881 44 V CB 1.217 33.081 31.823 0.068 0.000 0.982 44 V HN 0.640 nan 8.190 nan 0.000 0.451 45 I N 7.628 128.239 120.570 0.069 0.000 2.433 45 I HA 0.639 4.810 4.170 0.001 0.000 0.292 45 I C -0.545 175.625 176.117 0.088 0.000 1.001 45 I CA -0.645 60.712 61.300 0.095 0.000 1.119 45 I CB 1.747 39.812 38.000 0.108 0.000 1.289 45 I HN 0.760 nan 8.210 nan 0.000 0.438 46 L N 5.482 126.771 121.223 0.110 0.000 2.434 46 L HA 0.877 5.218 4.340 0.001 0.000 0.260 46 L C -1.427 175.522 176.870 0.133 0.000 0.983 46 L CA -0.836 54.059 54.840 0.091 0.000 0.820 46 L CB 2.055 44.148 42.059 0.058 0.000 1.361 46 L HN 0.355 nan 8.230 nan 0.000 0.410 47 V N 2.941 122.912 119.914 0.095 0.000 2.444 47 V HA 0.721 4.842 4.120 0.001 0.000 0.294 47 V C -1.383 174.744 176.094 0.056 0.000 1.022 47 V CA 0.051 62.408 62.300 0.096 0.000 0.850 47 V CB 1.479 33.338 31.823 0.059 0.000 0.992 47 V HN 0.962 nan 8.190 nan 0.000 0.426 48 N N 3.287 122.020 118.700 0.055 0.000 2.542 48 N HA 0.242 4.982 4.740 0.001 0.000 0.288 48 N C 0.546 176.075 175.510 0.031 0.000 1.115 48 N CA 0.280 53.353 53.050 0.038 0.000 0.924 48 N CB 2.474 40.989 38.487 0.046 0.000 1.526 48 N HN 0.679 nan 8.380 nan 0.000 0.515 49 S N 1.678 117.388 115.700 0.017 0.000 2.481 49 S HA -0.027 4.443 4.470 0.001 0.000 0.231 49 S C 0.728 175.331 174.600 0.004 0.000 0.996 49 S CA 0.216 58.419 58.200 0.005 0.000 0.942 49 S CB -0.177 63.016 63.200 -0.011 0.000 0.768 49 S HN 0.550 nan 8.310 nan 0.000 0.520 50 N N 3.313 122.020 118.700 0.011 0.000 2.401 50 N HA 0.254 4.995 4.740 0.001 0.000 0.255 50 N C -1.870 173.646 175.510 0.010 0.000 1.110 50 N CA -2.303 50.751 53.050 0.006 0.000 0.949 50 N CB 1.426 39.924 38.487 0.018 0.000 1.110 50 N HN 0.052 nan 8.380 nan 0.000 0.490 51 P HA 0.022 nan 4.420 nan 0.000 0.229 51 P C -0.029 177.208 177.300 -0.106 0.000 1.160 51 P CA 0.553 63.647 63.100 -0.010 0.000 0.777 51 P CB 0.223 31.952 31.700 0.049 0.000 0.814 52 A N 0.411 123.142 122.820 -0.149 0.000 3.163 52 A HA 0.375 4.696 4.320 0.001 0.000 0.283 52 A C 0.366 177.952 177.584 0.004 0.000 1.412 52 A CA -0.089 51.761 52.037 -0.311 0.000 1.053 52 A CB -1.178 17.646 19.000 -0.293 0.000 1.082 52 A HN 0.227 nan 8.150 nan 0.000 0.639 53 T N -2.568 112.062 114.554 0.127 0.000 2.841 53 T HA 0.505 4.855 4.350 0.001 0.000 0.283 53 T C 0.840 175.725 174.700 0.309 0.000 1.000 53 T CA -0.672 61.555 62.100 0.212 0.000 0.977 53 T CB 1.013 69.957 68.868 0.126 0.000 0.979 53 T HN -0.041 nan 8.240 nan 0.000 0.446 54 I N 2.623 123.331 120.570 0.231 0.000 2.286 54 I HA -0.135 4.036 4.170 0.001 0.000 0.248 54 I C 2.480 178.676 176.117 0.132 0.000 1.115 54 I CA 1.452 62.835 61.300 0.138 0.000 1.392 54 I CB -1.024 37.004 38.000 0.048 0.000 1.065 54 I HN 0.874 nan 8.210 nan 0.000 0.418 55 M N 0.863 120.531 119.600 0.112 0.000 2.346 55 M HA -0.189 4.292 4.480 0.001 0.000 0.263 55 M C 1.583 177.933 176.300 0.083 0.000 1.064 55 M CA 2.151 57.500 55.300 0.082 0.000 1.083 55 M CB -0.560 32.084 32.600 0.073 0.000 1.399 55 M HN 0.348 nan 8.290 nan 0.000 0.435 56 T N -2.571 112.050 114.554 0.111 0.000 3.122 56 T HA 0.156 4.507 4.350 0.001 0.000 0.250 56 T C -0.026 174.738 174.700 0.107 0.000 1.067 56 T CA -0.526 61.626 62.100 0.087 0.000 0.966 56 T CB -0.432 68.480 68.868 0.073 0.000 1.002 56 T HN 0.234 nan 8.240 nan 0.000 0.542 57 D N 3.755 124.240 120.400 0.141 0.000 2.458 57 D HA 0.151 4.791 4.640 0.001 0.000 0.243 57 D C -1.310 175.045 176.300 0.092 0.000 1.146 57 D CA -1.989 52.105 54.000 0.156 0.000 0.877 57 D CB 1.639 42.533 40.800 0.158 0.000 1.176 57 D HN 0.110 nan 8.370 nan 0.000 0.461 58 P HA -0.177 nan 4.420 nan 0.000 0.216 58 P C 1.113 178.436 177.300 0.039 0.000 1.150 58 P CA 1.149 64.287 63.100 0.063 0.000 0.837 58 P CB 0.179 31.965 31.700 0.142 0.000 0.786 59 E N -0.757 119.469 120.200 0.042 0.000 2.358 59 E HA -0.084 4.267 4.350 0.001 0.000 0.195 59 E C 1.425 178.035 176.600 0.016 0.000 1.010 59 E CA 0.853 57.265 56.400 0.020 0.000 0.856 59 E CB -0.646 29.057 29.700 0.004 0.000 0.795 59 E HN 0.156 nan 8.360 nan 0.000 0.504 60 M N 0.836 120.450 119.600 0.023 0.000 2.492 60 M HA 0.261 4.741 4.480 0.001 0.000 0.262 60 M C 0.995 177.308 176.300 0.022 0.000 1.090 60 M CA 0.421 55.735 55.300 0.022 0.000 1.110 60 M CB -0.243 32.376 32.600 0.032 0.000 1.407 60 M HN 0.212 nan 8.290 nan 0.000 0.470 61 A N -0.820 122.010 122.820 0.018 0.000 2.515 61 A HA 0.494 4.814 4.320 0.001 0.000 0.299 61 A C -0.042 177.546 177.584 0.007 0.000 1.179 61 A CA -0.632 51.416 52.037 0.018 0.000 0.656 61 A CB 0.475 19.487 19.000 0.020 0.000 1.306 61 A HN 0.152 nan 8.150 nan 0.000 0.459 62 D N 0.083 120.490 120.400 0.012 0.000 2.146 62 D HA 0.255 4.895 4.640 0.001 0.000 0.209 62 D C 0.855 177.136 176.300 -0.032 0.000 0.973 62 D CA 1.745 55.747 54.000 0.003 0.000 0.860 62 D CB 0.026 40.841 40.800 0.025 0.000 1.015 62 D HN 0.697 nan 8.370 nan 0.000 0.465 63 A N 1.229 124.031 122.820 -0.030 0.000 2.328 63 A HA 0.488 4.809 4.320 0.001 0.000 0.318 63 A C -0.514 176.969 177.584 -0.169 0.000 1.347 63 A CA -0.461 51.509 52.037 -0.113 0.000 0.842 63 A CB 0.714 19.738 19.000 0.041 0.000 1.148 63 A HN -0.091 nan 8.150 nan 0.000 0.499 64 T N 2.725 117.093 114.554 -0.309 0.000 2.743 64 T HA 0.451 4.801 4.350 0.001 0.000 0.292 64 T C -1.048 173.399 174.700 -0.422 0.000 0.972 64 T CA 0.255 62.216 62.100 -0.232 0.000 0.967 64 T CB -0.002 68.790 68.868 -0.127 0.000 0.926 64 T HN 0.402 nan 8.240 nan 0.000 0.459 65 Y N 2.609 122.880 120.300 -0.048 0.000 2.491 65 Y HA 0.433 4.984 4.550 0.001 0.000 0.334 65 Y C 0.534 176.402 175.900 -0.053 0.000 0.969 65 Y CA -1.021 57.042 58.100 -0.063 0.000 1.241 65 Y CB 0.480 38.904 38.460 -0.061 0.000 1.105 65 Y HN 0.582 nan 8.280 nan 0.000 0.503 66 I N 4.907 125.497 120.570 0.033 0.000 2.213 66 I HA 0.132 4.303 4.170 0.001 0.000 0.295 66 I C -0.141 175.991 176.117 0.024 0.000 1.172 66 I CA 0.282 61.592 61.300 0.017 0.000 1.443 66 I CB -0.282 37.707 38.000 -0.018 0.000 1.491 66 I HN 0.565 nan 8.210 nan 0.000 0.652 67 E N 5.749 125.973 120.200 0.040 0.000 2.416 67 E HA 0.466 4.816 4.350 0.001 0.000 0.273 67 E C -2.571 174.023 176.600 -0.010 0.000 0.935 67 E CA -2.078 54.327 56.400 0.009 0.000 0.784 67 E CB 1.816 31.526 29.700 0.018 0.000 1.301 67 E HN -0.008 nan 8.360 nan 0.000 0.454 68 P HA 0.088 nan 4.420 nan 0.000 0.262 68 P C 0.148 177.449 177.300 0.001 0.000 1.182 68 P CA 0.452 63.534 63.100 -0.031 0.000 0.761 68 P CB 0.152 31.816 31.700 -0.061 0.000 0.795 69 I N 3.540 124.118 120.570 0.014 0.000 2.330 69 I HA 0.028 4.199 4.170 0.001 0.000 0.280 69 I C 1.096 177.248 176.117 0.058 0.000 1.069 69 I CA 0.236 61.550 61.300 0.023 0.000 1.873 69 I CB -1.001 37.002 38.000 0.004 0.000 1.476 69 I HN 0.374 nan 8.210 nan 0.000 0.813 70 H N 4.612 123.654 119.070 -0.046 0.000 2.489 70 H HA 0.032 4.589 4.556 0.001 0.000 0.343 70 H C 0.715 176.012 175.328 -0.053 0.000 1.086 70 H CA -0.902 55.119 56.048 -0.044 0.000 1.198 70 H CB 1.326 31.020 29.762 -0.114 0.000 1.490 70 H HN 0.551 nan 8.280 nan 0.000 0.504 71 W N 5.351 126.489 121.300 -0.270 0.000 2.296 71 W HA -0.211 4.450 4.660 0.001 0.000 0.296 71 W C 0.208 176.763 176.519 0.059 0.000 1.220 71 W CA 1.427 58.705 57.345 -0.112 0.000 1.223 71 W CB -0.372 28.979 29.460 -0.181 0.000 1.139 71 W HN 0.650 nan 8.180 nan 0.000 0.534 72 E N 0.634 120.471 120.200 -0.606 0.000 2.158 72 E HA -0.116 4.235 4.350 0.001 0.000 0.191 72 E C 2.411 178.839 176.600 -0.286 0.000 0.982 72 E CA 1.361 57.343 56.400 -0.696 0.000 0.823 72 E CB -0.186 29.038 29.700 -0.792 0.000 0.766 72 E HN 0.142 nan 8.360 nan 0.000 0.468 73 V N 0.803 120.625 119.914 -0.152 0.000 2.453 73 V HA -0.187 3.934 4.120 0.001 0.000 0.247 73 V C 2.263 178.268 176.094 -0.147 0.000 1.048 73 V CA 1.052 63.263 62.300 -0.149 0.000 1.049 73 V CB -0.145 31.615 31.823 -0.105 0.000 0.672 73 V HN 0.122 nan 8.190 nan 0.000 0.457 74 V N 0.002 119.867 119.914 -0.081 0.000 2.343 74 V HA -0.270 3.851 4.120 0.001 0.000 0.247 74 V C 2.569 178.605 176.094 -0.096 0.000 1.051 74 V CA 2.285 64.541 62.300 -0.073 0.000 1.036 74 V CB -0.809 31.018 31.823 0.006 0.000 0.654 74 V HN 0.468 nan 8.190 nan 0.000 0.451 75 R N 0.090 120.568 120.500 -0.037 0.000 2.113 75 R HA -0.222 4.118 4.340 0.001 0.000 0.244 75 R C 2.478 178.664 176.300 -0.190 0.000 1.142 75 R CA 1.732 57.814 56.100 -0.031 0.000 0.953 75 R CB -0.187 30.152 30.300 0.066 0.000 0.860 75 R HN 0.393 nan 8.270 nan 0.000 0.438 76 K N 0.405 120.682 120.400 -0.205 0.000 2.032 76 K HA -0.149 4.171 4.320 0.001 0.000 0.209 76 K C 2.158 178.560 176.600 -0.331 0.000 1.048 76 K CA 1.455 57.595 56.287 -0.245 0.000 0.927 76 K CB -0.328 32.046 32.500 -0.210 0.000 0.712 76 K HN 0.306 nan 8.250 nan 0.000 0.441 77 I N 0.915 121.253 120.570 -0.386 0.000 2.163 77 I HA -0.319 3.852 4.170 0.001 0.000 0.243 77 I C 2.414 178.302 176.117 -0.381 0.000 1.085 77 I CA 1.243 62.232 61.300 -0.519 0.000 1.347 77 I CB -0.324 37.307 38.000 -0.615 0.000 1.044 77 I HN 0.090 nan 8.210 nan 0.000 0.408 78 I N 0.534 120.892 120.570 -0.353 0.000 2.127 78 I HA -0.338 3.832 4.170 0.001 0.000 0.241 78 I C 2.752 178.520 176.117 -0.582 0.000 1.075 78 I CA 1.730 62.809 61.300 -0.368 0.000 1.334 78 I CB -0.456 37.353 38.000 -0.319 0.000 1.040 78 I HN 0.331 nan 8.210 nan 0.000 0.405 79 E N 1.588 121.234 120.200 -0.922 0.000 2.070 79 E HA -0.342 4.008 4.350 0.001 0.000 0.197 79 E C 2.226 178.583 176.600 -0.405 0.000 1.004 79 E CA 1.940 57.712 56.400 -1.048 0.000 0.805 79 E CB -0.124 29.072 29.700 -0.841 0.000 0.744 79 E HN 0.408 nan 8.360 nan 0.000 0.451 80 K N -0.086 120.135 120.400 -0.298 0.000 2.062 80 K HA -0.131 4.189 4.320 0.001 0.000 0.205 80 K C 1.986 178.524 176.600 -0.102 0.000 1.051 80 K CA 1.428 57.621 56.287 -0.155 0.000 0.941 80 K CB 0.102 32.520 32.500 -0.136 0.000 0.719 80 K HN 0.061 nan 8.250 nan 0.000 0.440 81 E N 0.549 120.670 120.200 -0.132 0.000 2.250 81 E HA -0.002 4.349 4.350 0.001 0.000 0.192 81 E C -0.237 176.344 176.600 -0.033 0.000 0.986 81 E CA 0.122 56.497 56.400 -0.041 0.000 0.849 81 E CB 0.273 29.977 29.700 0.008 0.000 0.797 81 E HN 0.207 nan 8.360 nan 0.000 0.482 82 R N 0.934 121.387 120.500 -0.079 0.000 3.079 82 R HA -0.120 4.221 4.340 0.001 0.000 0.254 82 R C -2.417 173.900 176.300 0.027 0.000 0.900 82 R CA 0.361 56.455 56.100 -0.009 0.000 0.641 82 R CB -2.144 28.181 30.300 0.041 0.000 1.307 82 R HN 0.233 nan 8.270 nan 0.000 0.477 83 P HA 0.169 nan 4.420 nan 0.000 0.282 83 P C 0.273 177.605 177.300 0.053 0.000 1.249 83 P CA -0.399 62.723 63.100 0.037 0.000 0.806 83 P CB 0.816 32.530 31.700 0.023 0.000 0.984 84 D N 0.559 120.993 120.400 0.056 0.000 2.194 84 D HA 0.072 4.713 4.640 0.001 0.000 0.204 84 D C 0.780 177.107 176.300 0.044 0.000 0.964 84 D CA 1.195 55.229 54.000 0.057 0.000 0.846 84 D CB 0.443 41.283 40.800 0.066 0.000 0.962 84 D HN 0.468 nan 8.370 nan 0.000 0.490 85 A N -0.077 122.762 122.820 0.031 0.000 2.569 85 A HA 0.577 4.898 4.320 0.001 0.000 0.290 85 A C -1.456 176.133 177.584 0.008 0.000 1.136 85 A CA -0.568 51.478 52.037 0.015 0.000 0.710 85 A CB 2.402 21.400 19.000 -0.003 0.000 1.303 85 A HN -0.063 nan 8.150 nan 0.000 0.413 86 V N 1.030 120.947 119.914 0.005 0.000 2.531 86 V HA 0.661 4.781 4.120 0.001 0.000 0.301 86 V C -1.657 174.434 176.094 -0.004 0.000 1.034 86 V CA -0.625 61.677 62.300 0.003 0.000 0.865 86 V CB 1.347 33.177 31.823 0.011 0.000 0.995 86 V HN 0.997 nan 8.190 nan 0.000 0.424 87 L N 10.227 131.445 121.223 -0.009 0.000 2.276 87 L HA 0.756 5.097 4.340 0.001 0.000 0.286 87 L C -2.068 174.799 176.870 -0.004 0.000 1.024 87 L CA -1.254 53.580 54.840 -0.010 0.000 0.826 87 L CB 1.961 44.009 42.059 -0.019 0.000 1.211 87 L HN 0.524 nan 8.230 nan 0.000 0.422 88 P HA 0.136 nan 4.420 nan 0.000 0.282 88 P C 0.524 177.818 177.300 -0.011 0.000 1.327 88 P CA 0.152 63.249 63.100 -0.006 0.000 0.949 88 P CB 0.391 32.092 31.700 0.002 0.000 1.445 89 T N -4.221 110.334 114.554 0.002 0.000 3.107 89 T HA 0.213 4.564 4.350 0.001 0.000 0.249 89 T C 1.169 175.888 174.700 0.032 0.000 1.096 89 T CA 0.130 62.237 62.100 0.012 0.000 1.012 89 T CB -0.480 68.404 68.868 0.027 0.000 0.977 89 T HN -0.125 nan 8.240 nan 0.000 0.527 90 M N 1.166 120.779 119.600 0.023 0.000 2.475 90 M HA 0.397 4.877 4.480 0.001 0.000 0.283 90 M C 1.167 177.489 176.300 0.037 0.000 1.165 90 M CA 0.006 55.351 55.300 0.075 0.000 0.976 90 M CB 0.622 33.258 32.600 0.060 0.000 1.428 90 M HN 0.432 nan 8.290 nan 0.000 0.495 91 G N -0.047 108.658 108.800 -0.159 0.000 4.543 91 G HA2 0.488 4.449 3.960 0.001 0.000 0.286 91 G HA3 0.488 4.449 3.960 0.001 0.000 0.286 91 G C 0.709 175.147 174.900 -0.770 0.000 1.112 91 G CA 0.110 44.998 45.100 -0.353 0.000 0.870 91 G HN 0.572 nan 8.290 nan 0.000 0.540 92 G N 0.776 108.832 108.800 -1.240 0.000 2.552 92 G HA2 -0.355 3.606 3.960 0.001 0.000 0.265 92 G HA3 -0.355 3.606 3.960 0.001 0.000 0.265 92 G C 0.916 175.579 174.900 -0.395 0.000 1.234 92 G CA 0.772 45.213 45.100 -1.098 0.000 0.944 92 G HN 0.624 nan 8.290 nan 0.000 0.568 93 Q N -1.035 118.613 119.800 -0.254 0.000 2.187 93 Q HA 0.099 4.439 4.340 0.001 0.000 0.199 93 Q C 2.867 178.820 176.000 -0.077 0.000 0.957 93 Q CA 2.566 58.308 55.803 -0.102 0.000 0.857 93 Q CB -0.523 28.187 28.738 -0.045 0.000 0.929 93 Q HN 0.705 nan 8.270 nan 0.000 0.453 94 T N 0.267 114.748 114.554 -0.121 0.000 2.635 94 T HA -0.238 4.113 4.350 0.001 0.000 0.267 94 T C 1.709 176.366 174.700 -0.073 0.000 1.040 94 T CA 1.583 63.633 62.100 -0.084 0.000 1.156 94 T CB -0.643 68.169 68.868 -0.094 0.000 0.863 94 T HN 0.480 nan 8.240 nan 0.000 0.430 95 A N 1.129 123.883 122.820 -0.111 0.000 1.877 95 A HA -0.013 4.308 4.320 0.001 0.000 0.216 95 A C 2.360 179.923 177.584 -0.036 0.000 1.186 95 A CA 1.252 53.243 52.037 -0.076 0.000 0.620 95 A CB -0.873 18.069 19.000 -0.097 0.000 0.822 95 A HN 0.467 nan 8.150 nan 0.000 0.443 96 L N -0.586 120.620 121.223 -0.027 0.000 1.970 96 L HA -0.240 4.101 4.340 0.001 0.000 0.212 96 L C 2.479 179.394 176.870 0.075 0.000 1.071 96 L CA 1.696 56.562 54.840 0.044 0.000 0.751 96 L CB -0.875 41.227 42.059 0.071 0.000 0.889 96 L HN 0.368 nan 8.230 nan 0.000 0.432 97 N N -0.379 118.359 118.700 0.064 0.000 2.061 97 N HA -0.234 4.507 4.740 0.001 0.000 0.193 97 N C 1.889 177.368 175.510 -0.052 0.000 1.030 97 N CA 1.679 54.735 53.050 0.009 0.000 0.856 97 N CB -0.881 37.608 38.487 0.003 0.000 1.023 97 N HN 0.372 nan 8.380 nan 0.000 0.424 98 C N 0.596 119.875 119.300 -0.034 0.000 2.425 98 C HA 0.111 4.572 4.460 0.001 0.000 0.277 98 C C 2.682 177.655 174.990 -0.028 0.000 1.280 98 C CA 1.033 60.033 59.018 -0.029 0.000 1.744 98 C CB -1.306 26.428 27.740 -0.011 0.000 1.989 98 C HN 0.473 nan 8.230 nan 0.000 0.491 99 A N -0.260 122.549 122.820 -0.019 0.000 1.930 99 A HA -0.005 4.315 4.320 0.001 0.000 0.217 99 A C 1.873 179.434 177.584 -0.038 0.000 1.175 99 A CA 1.345 53.374 52.037 -0.014 0.000 0.627 99 A CB -0.541 18.460 19.000 0.001 0.000 0.815 99 A HN 0.530 nan 8.150 nan 0.000 0.443 100 L N -0.628 120.562 121.223 -0.055 0.000 2.395 100 L HA -0.002 4.339 4.340 0.001 0.000 0.218 100 L C 2.193 178.958 176.870 -0.174 0.000 1.130 100 L CA 1.720 56.501 54.840 -0.099 0.000 0.826 100 L CB -0.269 41.724 42.059 -0.109 0.000 0.941 100 L HN 0.529 nan 8.230 nan 0.000 0.451 101 E N -0.474 119.609 120.200 -0.195 0.000 2.102 101 E HA -0.084 4.266 4.350 0.001 0.000 0.190 101 E C 2.165 178.551 176.600 -0.356 0.000 0.971 101 E CA 0.924 57.136 56.400 -0.314 0.000 0.821 101 E CB -0.161 29.349 29.700 -0.316 0.000 0.777 101 E HN 0.355 nan 8.360 nan 0.000 0.460 102 L N 0.725 121.844 121.223 -0.174 0.000 2.046 102 L HA -0.191 4.150 4.340 0.001 0.000 0.208 102 L C 2.560 179.372 176.870 -0.098 0.000 1.077 102 L CA 1.895 56.691 54.840 -0.073 0.000 0.747 102 L CB -0.441 41.636 42.059 0.030 0.000 0.896 102 L HN 0.280 nan 8.230 nan 0.000 0.432 103 E N 0.496 120.639 120.200 -0.094 0.000 2.031 103 E HA -0.287 4.064 4.350 0.001 0.000 0.193 103 E C 2.261 178.787 176.600 -0.122 0.000 0.994 103 E CA 1.506 57.858 56.400 -0.079 0.000 0.800 103 E CB -0.232 29.429 29.700 -0.065 0.000 0.752 103 E HN 0.182 nan 8.360 nan 0.000 0.447 104 R N -0.432 119.960 120.500 -0.179 0.000 2.081 104 R HA -0.113 4.227 4.340 0.001 0.000 0.235 104 R C 2.199 178.355 176.300 -0.240 0.000 1.131 104 R CA 1.665 57.644 56.100 -0.202 0.000 0.960 104 R CB -0.057 30.094 30.300 -0.249 0.000 0.856 104 R HN 0.286 nan 8.270 nan 0.000 0.436 105 Q N -0.666 118.919 119.800 -0.357 0.000 2.500 105 Q HA 0.002 4.342 4.340 0.001 0.000 0.213 105 Q C 0.937 176.837 176.000 -0.166 0.000 0.974 105 Q CA 1.086 56.657 55.803 -0.387 0.000 0.918 105 Q CB 0.512 28.756 28.738 -0.825 0.000 0.980 105 Q HN 0.675 nan 8.270 nan 0.000 0.505 106 G N 0.171 108.903 108.800 -0.112 0.000 2.147 106 G HA2 -0.270 3.691 3.960 0.001 0.000 0.244 106 G HA3 -0.270 3.691 3.960 0.001 0.000 0.244 106 G C 0.832 175.733 174.900 0.002 0.000 1.005 106 G CA 0.409 45.478 45.100 -0.051 0.000 0.713 106 G HN 0.310 nan 8.290 nan 0.000 0.515 107 V N 0.310 120.253 119.914 0.049 0.000 2.667 107 V HA 0.000 4.121 4.120 0.001 0.000 0.252 107 V C 2.773 178.979 176.094 0.187 0.000 1.065 107 V CA 1.885 64.291 62.300 0.176 0.000 1.083 107 V CB -0.270 31.707 31.823 0.257 0.000 0.692 107 V HN 0.518 nan 8.190 nan 0.000 0.468 108 L N -0.478 120.801 121.223 0.094 0.000 2.240 108 L HA -0.083 4.258 4.340 0.001 0.000 0.211 108 L C 2.437 179.341 176.870 0.057 0.000 1.106 108 L CA 1.334 56.224 54.840 0.083 0.000 0.793 108 L CB -0.399 41.684 42.059 0.040 0.000 0.927 108 L HN 0.359 nan 8.230 nan 0.000 0.446 109 E N 0.082 120.291 120.200 0.015 0.000 2.076 109 E HA -0.199 4.152 4.350 0.001 0.000 0.190 109 E C 1.984 178.540 176.600 -0.073 0.000 0.979 109 E CA 0.578 56.965 56.400 -0.022 0.000 0.807 109 E CB 0.159 29.837 29.700 -0.036 0.000 0.761 109 E HN 0.346 nan 8.360 nan 0.000 0.454 110 E N -0.034 120.096 120.200 -0.116 0.000 2.065 110 E HA -0.203 4.147 4.350 0.001 0.000 0.201 110 E C 0.763 177.038 176.600 -0.541 0.000 1.016 110 E CA 1.370 57.558 56.400 -0.353 0.000 0.818 110 E CB -0.016 29.482 29.700 -0.337 0.000 0.749 110 E HN 0.197 nan 8.360 nan 0.000 0.453 111 F N -0.598 119.359 119.950 0.013 0.000 2.639 111 F HA 0.324 4.852 4.527 0.001 0.000 0.300 111 F C 0.992 176.798 175.800 0.010 0.000 1.109 111 F CA 0.189 58.196 58.000 0.011 0.000 1.335 111 F CB 0.933 39.940 39.000 0.011 0.000 1.014 111 F HN 0.089 nan 8.300 nan 0.000 0.537 112 G N 1.708 110.556 108.800 0.080 0.000 2.393 112 G HA2 -0.246 3.715 3.960 0.001 0.000 0.299 112 G HA3 -0.246 3.715 3.960 0.001 0.000 0.299 112 G C -0.239 174.708 174.900 0.077 0.000 0.990 112 G CA 0.051 45.184 45.100 0.055 0.000 1.118 112 G HN 0.189 nan 8.290 nan 0.000 0.513 113 V N 0.845 120.812 119.914 0.088 0.000 2.407 113 V HA 0.461 4.581 4.120 0.001 0.000 0.278 113 V C 0.896 177.018 176.094 0.046 0.000 1.037 113 V CA -0.235 62.110 62.300 0.075 0.000 0.900 113 V CB 1.611 33.486 31.823 0.086 0.000 0.983 113 V HN 0.415 nan 8.190 nan 0.000 0.459 114 T N 6.575 121.151 114.554 0.036 0.000 2.780 114 T HA 0.339 4.689 4.350 0.001 0.000 0.294 114 T C 0.030 174.739 174.700 0.014 0.000 0.949 114 T CA -0.159 61.955 62.100 0.023 0.000 1.074 114 T CB 0.591 69.471 68.868 0.020 0.000 0.910 114 T HN 0.587 nan 8.240 nan 0.000 0.501 115 M N 5.801 125.409 119.600 0.012 0.000 2.193 115 M HA 0.370 4.851 4.480 0.001 0.000 0.342 115 M C -0.213 176.090 176.300 0.005 0.000 1.413 115 M CA -0.378 54.927 55.300 0.009 0.000 1.191 115 M CB -0.195 32.412 32.600 0.011 0.000 1.633 115 M HN 0.623 nan 8.290 nan 0.000 0.458 116 I N 0.310 120.879 120.570 -0.001 0.000 3.076 116 I HA 0.899 5.070 4.170 0.001 0.000 0.313 116 I C 0.918 177.036 176.117 0.001 0.000 1.053 116 I CA -0.254 61.043 61.300 -0.004 0.000 1.048 116 I CB 1.368 39.355 38.000 -0.021 0.000 1.264 116 I HN 0.794 nan 8.210 nan 0.000 0.498 117 G N 1.962 110.766 108.800 0.006 0.000 3.444 117 G HA2 -0.154 3.807 3.960 0.001 0.000 0.222 117 G HA3 -0.154 3.807 3.960 0.001 0.000 0.222 117 G C 0.178 175.090 174.900 0.021 0.000 1.358 117 G CA 0.454 45.564 45.100 0.015 0.000 0.880 117 G HN 1.771 nan 8.290 nan 0.000 0.555 118 A N -0.374 122.457 122.820 0.018 0.000 2.547 118 A HA 0.866 5.186 4.320 0.001 0.000 0.297 118 A C 0.006 177.602 177.584 0.021 0.000 1.056 118 A CA 0.974 53.024 52.037 0.021 0.000 0.688 118 A CB 1.118 20.131 19.000 0.023 0.000 1.282 118 A HN 1.964 nan 8.150 nan 0.000 0.400 119 T N -0.377 114.191 114.554 0.023 0.000 2.904 119 T HA 0.547 4.898 4.350 0.001 0.000 0.290 119 T C 1.408 176.126 174.700 0.030 0.000 1.018 119 T CA 0.236 62.350 62.100 0.022 0.000 1.075 119 T CB 1.400 70.280 68.868 0.020 0.000 0.986 119 T HN 1.770 nan 8.240 nan 0.000 0.523 120 A N 1.424 124.261 122.820 0.028 0.000 1.948 120 A HA -0.142 4.179 4.320 0.001 0.000 0.220 120 A C 1.996 179.612 177.584 0.053 0.000 1.177 120 A CA 2.300 54.360 52.037 0.038 0.000 0.636 120 A CB -1.314 17.697 19.000 0.018 0.000 0.815 120 A HN 1.038 nan 8.150 nan 0.000 0.449 121 D N -0.637 119.786 120.400 0.039 0.000 2.117 121 D HA 0.023 4.664 4.640 0.001 0.000 0.198 121 D C 2.010 178.340 176.300 0.050 0.000 0.982 121 D CA 1.540 55.565 54.000 0.043 0.000 0.828 121 D CB -0.196 40.621 40.800 0.028 0.000 0.967 121 D HN 0.342 nan 8.370 nan 0.000 0.464 122 A N 0.134 122.979 122.820 0.042 0.000 1.873 122 A HA -0.067 4.254 4.320 0.001 0.000 0.215 122 A C 2.404 180.013 177.584 0.042 0.000 1.186 122 A CA 1.067 53.128 52.037 0.040 0.000 0.616 122 A CB -0.820 18.199 19.000 0.032 0.000 0.823 122 A HN 0.356 nan 8.150 nan 0.000 0.442 123 I N -0.142 120.456 120.570 0.046 0.000 2.163 123 I HA -0.302 3.869 4.170 0.001 0.000 0.243 123 I C 2.304 178.454 176.117 0.056 0.000 1.085 123 I CA 2.147 63.473 61.300 0.043 0.000 1.347 123 I CB -0.366 37.682 38.000 0.080 0.000 1.044 123 I HN 0.466 nan 8.210 nan 0.000 0.408 124 D N 0.634 121.123 120.400 0.148 0.000 2.178 124 D HA -0.225 4.416 4.640 0.001 0.000 0.202 124 D C 2.185 178.547 176.300 0.102 0.000 0.974 124 D CA 1.141 55.278 54.000 0.229 0.000 0.841 124 D CB 0.015 40.953 40.800 0.230 0.000 0.953 124 D HN 0.079 nan 8.370 nan 0.000 0.478 125 K N -0.645 119.802 120.400 0.077 0.000 2.211 125 K HA -0.043 4.277 4.320 0.001 0.000 0.203 125 K C 1.771 178.443 176.600 0.120 0.000 1.050 125 K CA 1.041 57.377 56.287 0.081 0.000 0.945 125 K CB -0.008 32.530 32.500 0.063 0.000 0.732 125 K HN 0.189 nan 8.250 nan 0.000 0.451 126 A N 0.577 123.429 122.820 0.054 0.000 1.943 126 A HA -0.009 4.312 4.320 0.001 0.000 0.213 126 A C 1.677 179.136 177.584 -0.209 0.000 1.181 126 A CA 0.625 52.678 52.037 0.026 0.000 0.653 126 A CB -0.034 18.934 19.000 -0.053 0.000 0.833 126 A HN 0.188 nan 8.150 nan 0.000 0.451 127 E N 0.614 120.587 120.200 -0.379 0.000 2.158 127 E HA -0.075 4.276 4.350 0.001 0.000 0.191 127 E C -0.049 176.197 176.600 -0.591 0.000 0.982 127 E CA 0.297 56.223 56.400 -0.790 0.000 0.823 127 E CB -0.234 28.411 29.700 -1.759 0.000 0.766 127 E HN 0.535 nan 8.360 nan 0.000 0.468 128 D N 1.413 121.677 120.400 -0.226 0.000 2.344 128 D HA 0.002 4.643 4.640 0.001 0.000 0.253 128 D C 0.812 177.132 176.300 0.034 0.000 1.255 128 D CA -0.019 54.013 54.000 0.054 0.000 0.894 128 D CB 0.442 41.353 40.800 0.186 0.000 1.067 128 D HN -0.064 nan 8.370 nan 0.000 0.492 129 R N 2.977 123.484 120.500 0.011 0.000 2.193 129 R HA -0.121 4.219 4.340 0.001 0.000 0.229 129 R C 2.074 178.428 176.300 0.089 0.000 1.110 129 R CA 0.596 56.716 56.100 0.032 0.000 0.988 129 R CB 0.149 30.438 30.300 -0.017 0.000 0.871 129 R HN 0.448 nan 8.270 nan 0.000 0.458 130 R N 1.213 121.762 120.500 0.081 0.000 2.062 130 R HA -0.047 4.294 4.340 0.001 0.000 0.226 130 R C 2.094 178.440 176.300 0.078 0.000 1.125 130 R CA 1.045 57.190 56.100 0.075 0.000 0.966 130 R CB 0.053 30.403 30.300 0.084 0.000 0.861 130 R HN 0.120 nan 8.270 nan 0.000 0.433 131 R N -0.480 120.073 120.500 0.089 0.000 2.105 131 R HA -0.168 4.172 4.340 0.001 0.000 0.239 131 R C 2.202 178.540 176.300 0.063 0.000 1.135 131 R CA 1.625 57.766 56.100 0.069 0.000 0.967 131 R CB -0.493 29.854 30.300 0.079 0.000 0.861 131 R HN 0.227 nan 8.270 nan 0.000 0.442 132 F N 1.952 121.883 119.950 -0.032 0.000 2.102 132 F HA -0.220 4.307 4.527 0.001 0.000 0.298 132 F C 1.889 177.664 175.800 -0.041 0.000 1.105 132 F CA 1.983 59.955 58.000 -0.048 0.000 1.239 132 F CB -0.309 38.647 39.000 -0.073 0.000 0.991 132 F HN -0.030 nan 8.300 nan 0.000 0.474 133 D N -0.666 119.777 120.400 0.070 0.000 2.218 133 D HA -0.159 4.482 4.640 0.001 0.000 0.204 133 D C 2.165 178.406 176.300 -0.098 0.000 0.976 133 D CA 1.151 55.141 54.000 -0.017 0.000 0.853 133 D CB -0.010 40.819 40.800 0.048 0.000 0.939 133 D HN 0.194 nan 8.370 nan 0.000 0.481 134 V N 0.429 120.295 119.914 -0.080 0.000 2.307 134 V HA -0.182 3.938 4.120 0.001 0.000 0.245 134 V C 2.507 178.526 176.094 -0.125 0.000 1.045 134 V CA 1.667 63.923 62.300 -0.074 0.000 1.024 134 V CB -0.780 31.022 31.823 -0.036 0.000 0.651 134 V HN 0.338 nan 8.190 nan 0.000 0.449 135 A N -0.387 122.319 122.820 -0.189 0.000 1.917 135 A HA -0.265 4.055 4.320 0.001 0.000 0.219 135 A C 2.213 179.630 177.584 -0.278 0.000 1.182 135 A CA 2.214 54.109 52.037 -0.237 0.000 0.633 135 A CB -0.497 18.307 19.000 -0.327 0.000 0.819 135 A HN 0.422 nan 8.150 nan 0.000 0.448 136 M N -0.564 118.805 119.600 -0.385 0.000 2.117 136 M HA -0.111 4.370 4.480 0.001 0.000 0.262 136 M C 2.075 178.284 176.300 -0.152 0.000 1.065 136 M CA 1.923 57.041 55.300 -0.303 0.000 1.114 136 M CB -1.179 31.234 32.600 -0.312 0.000 1.361 136 M HN 0.567 nan 8.290 nan 0.000 0.408 137 K N 0.532 120.858 120.400 -0.123 0.000 2.057 137 K HA -0.196 4.124 4.320 0.001 0.000 0.207 137 K C 2.148 178.712 176.600 -0.060 0.000 1.049 137 K CA 1.463 57.708 56.287 -0.070 0.000 0.931 137 K CB -0.018 32.450 32.500 -0.053 0.000 0.714 137 K HN 0.180 nan 8.250 nan 0.000 0.440 138 K N 1.261 121.618 120.400 -0.072 0.000 2.020 138 K HA -0.163 4.158 4.320 0.001 0.000 0.212 138 K C 1.925 178.494 176.600 -0.051 0.000 1.050 138 K CA 2.029 58.282 56.287 -0.057 0.000 0.929 138 K CB -0.329 32.133 32.500 -0.063 0.000 0.714 138 K HN 0.433 nan 8.250 nan 0.000 0.443 139 I N -2.198 118.332 120.570 -0.066 0.000 3.550 139 I HA 0.183 4.354 4.170 0.001 0.000 0.295 139 I C 0.681 176.777 176.117 -0.035 0.000 1.291 139 I CA 0.669 61.939 61.300 -0.050 0.000 1.298 139 I CB -0.582 37.385 38.000 -0.054 0.000 1.026 139 I HN 0.383 nan 8.210 nan 0.000 0.491 140 G N 2.077 110.857 108.800 -0.034 0.000 2.198 140 G HA2 -0.257 3.704 3.960 0.001 0.000 0.260 140 G HA3 -0.257 3.704 3.960 0.001 0.000 0.260 140 G C -0.099 174.798 174.900 -0.006 0.000 1.025 140 G CA 0.383 45.472 45.100 -0.018 0.000 0.769 140 G HN 0.491 nan 8.290 nan 0.000 0.507 141 L N -0.288 120.927 121.223 -0.013 0.000 2.322 141 L HA 0.593 4.933 4.340 0.001 0.000 0.279 141 L C 0.680 177.563 176.870 0.021 0.000 1.036 141 L CA -0.898 53.953 54.840 0.019 0.000 0.807 141 L CB 1.637 43.720 42.059 0.040 0.000 1.226 141 L HN 0.271 nan 8.230 nan 0.000 0.433 142 E N 1.285 121.519 120.200 0.057 0.000 2.301 142 E HA 0.345 4.695 4.350 0.001 0.000 0.275 142 E C -0.815 175.826 176.600 0.069 0.000 1.030 142 E CA -0.402 56.033 56.400 0.059 0.000 0.852 142 E CB 1.252 31.001 29.700 0.083 0.000 1.060 142 E HN 0.667 nan 8.360 nan 0.000 0.401 143 T N 0.130 114.709 114.554 0.041 0.000 2.916 143 T HA 0.716 5.066 4.350 0.001 0.000 0.292 143 T C -0.199 174.505 174.700 0.007 0.000 1.064 143 T CA -0.790 61.332 62.100 0.036 0.000 1.011 143 T CB 1.548 70.441 68.868 0.041 0.000 1.152 143 T HN 0.498 nan 8.240 nan 0.000 0.510 144 A N 1.680 124.486 122.820 -0.023 0.000 2.366 144 A HA 0.506 4.827 4.320 0.001 0.000 0.249 144 A C 0.743 178.301 177.584 -0.044 0.000 1.084 144 A CA -0.646 51.352 52.037 -0.066 0.000 0.794 144 A CB 0.030 18.959 19.000 -0.118 0.000 1.034 144 A HN 0.924 nan 8.150 nan 0.000 0.491 145 R N 0.792 121.260 120.500 -0.052 0.000 2.473 145 R HA 0.163 4.504 4.340 0.001 0.000 0.315 145 R C -0.177 176.096 176.300 -0.044 0.000 0.972 145 R CA 1.017 57.092 56.100 -0.042 0.000 1.047 145 R CB -0.175 30.096 30.300 -0.048 0.000 0.932 145 R HN 0.927 nan 8.270 nan 0.000 0.411 146 S N 1.986 117.668 115.700 -0.030 0.000 2.697 146 S HA 0.841 5.311 4.470 0.001 0.000 0.289 146 S C -0.446 174.143 174.600 -0.019 0.000 1.149 146 S CA -0.719 57.466 58.200 -0.025 0.000 0.850 146 S CB 2.273 65.465 63.200 -0.014 0.000 1.151 146 S HN 0.614 nan 8.310 nan 0.000 0.491 147 G N 0.275 109.066 108.800 -0.015 0.000 2.753 147 G HA2 0.553 4.513 3.960 0.001 0.000 0.295 147 G HA3 0.553 4.513 3.960 0.001 0.000 0.295 147 G C -1.127 173.761 174.900 -0.020 0.000 1.437 147 G CA -0.646 44.447 45.100 -0.012 0.000 1.094 147 G HN 0.600 nan 8.290 nan 0.000 0.540 148 I N 1.085 121.636 120.570 -0.033 0.000 2.662 148 I HA 0.606 4.776 4.170 0.001 0.000 0.291 148 I C 0.608 176.637 176.117 -0.146 0.000 1.046 148 I CA -0.260 60.982 61.300 -0.096 0.000 1.361 148 I CB 1.565 39.518 38.000 -0.077 0.000 1.429 148 I HN 0.646 nan 8.210 nan 0.000 0.558 149 A N 4.702 127.354 122.820 -0.280 0.000 2.488 149 A HA 0.593 4.914 4.320 0.001 0.000 0.298 149 A C -0.744 176.589 177.584 -0.419 0.000 1.044 149 A CA -0.456 51.444 52.037 -0.228 0.000 0.693 149 A CB 0.772 19.732 19.000 -0.066 0.000 1.272 149 A HN 0.840 nan 8.150 nan 0.000 0.402 150 H N 0.410 119.492 119.070 0.019 0.000 2.986 150 H HA 0.287 4.844 4.556 0.001 0.000 0.267 150 H C 0.680 176.016 175.328 0.013 0.000 1.072 150 H CA 1.025 57.081 56.048 0.014 0.000 1.202 150 H CB 1.092 30.862 29.762 0.013 0.000 1.535 150 H HN 0.773 nan 8.280 nan 0.000 0.522 151 T N -3.464 111.155 114.554 0.108 0.000 2.864 151 T HA 0.194 4.545 4.350 0.001 0.000 0.299 151 T C 0.900 175.631 174.700 0.052 0.000 1.166 151 T CA -0.962 61.183 62.100 0.076 0.000 1.007 151 T CB 1.826 70.742 68.868 0.079 0.000 1.219 151 T HN 0.002 nan 8.240 nan 0.000 0.506 152 M N 0.915 120.543 119.600 0.048 0.000 2.213 152 M HA 0.017 4.498 4.480 0.001 0.000 0.263 152 M C 2.104 178.462 176.300 0.096 0.000 1.062 152 M CA 2.120 57.455 55.300 0.057 0.000 1.105 152 M CB -0.651 31.980 32.600 0.053 0.000 1.385 152 M HN 0.888 nan 8.290 nan 0.000 0.417 153 E N -0.236 120.011 120.200 0.079 0.000 2.072 153 E HA -0.241 4.110 4.350 0.001 0.000 0.191 153 E C 1.836 178.485 176.600 0.082 0.000 0.985 153 E CA 1.530 57.977 56.400 0.078 0.000 0.801 153 E CB -0.328 29.407 29.700 0.058 0.000 0.750 153 E HN 0.698 nan 8.360 nan 0.000 0.452 154 E N 0.339 120.586 120.200 0.077 0.000 2.049 154 E HA -0.262 4.089 4.350 0.001 0.000 0.198 154 E C 2.090 178.741 176.600 0.085 0.000 1.007 154 E CA 1.235 57.679 56.400 0.073 0.000 0.809 154 E CB -0.228 29.521 29.700 0.082 0.000 0.749 154 E HN 0.430 nan 8.360 nan 0.000 0.450 155 A N 1.041 123.927 122.820 0.110 0.000 1.873 155 A HA -0.224 4.097 4.320 0.001 0.000 0.218 155 A C 2.211 180.008 177.584 0.354 0.000 1.193 155 A CA 1.538 53.703 52.037 0.214 0.000 0.629 155 A CB -0.904 18.172 19.000 0.126 0.000 0.826 155 A HN 0.191 nan 8.150 nan 0.000 0.447 156 L N -0.675 120.735 121.223 0.311 0.000 2.127 156 L HA -0.223 4.118 4.340 0.001 0.000 0.211 156 L C 3.028 179.893 176.870 -0.008 0.000 1.089 156 L CA 1.054 56.000 54.840 0.176 0.000 0.757 156 L CB -0.540 41.616 42.059 0.161 0.000 0.899 156 L HN 0.454 nan 8.230 nan 0.000 0.434 157 A N -0.325 122.509 122.820 0.024 0.000 1.877 157 A HA -0.154 4.167 4.320 0.001 0.000 0.216 157 A C 2.334 179.884 177.584 -0.057 0.000 1.186 157 A CA 1.977 54.004 52.037 -0.017 0.000 0.620 157 A CB -0.847 18.160 19.000 0.012 0.000 0.822 157 A HN 0.189 nan 8.150 nan 0.000 0.443 158 V N -0.143 119.755 119.914 -0.026 0.000 2.427 158 V HA -0.206 3.915 4.120 0.001 0.000 0.248 158 V C 3.017 179.015 176.094 -0.161 0.000 1.051 158 V CA 1.757 64.026 62.300 -0.052 0.000 1.048 158 V CB -1.293 30.537 31.823 0.011 0.000 0.666 158 V HN 0.609 nan 8.190 nan 0.000 0.456 159 A N 0.240 122.892 122.820 -0.280 0.000 1.940 159 A HA -0.125 4.196 4.320 0.001 0.000 0.219 159 A C 2.403 179.618 177.584 -0.614 0.000 1.176 159 A CA 2.035 53.660 52.037 -0.686 0.000 0.631 159 A CB -0.694 17.479 19.000 -1.378 0.000 0.814 159 A HN 0.578 nan 8.150 nan 0.000 0.446 160 A N -0.380 122.206 122.820 -0.391 0.000 2.015 160 A HA -0.127 4.193 4.320 0.001 0.000 0.219 160 A C 1.822 179.274 177.584 -0.219 0.000 1.163 160 A CA 2.045 53.913 52.037 -0.282 0.000 0.646 160 A CB -0.471 18.428 19.000 -0.169 0.000 0.806 160 A HN 0.556 nan 8.150 nan 0.000 0.448 161 D N -0.337 119.949 120.400 -0.189 0.000 2.110 161 D HA -0.111 4.530 4.640 0.001 0.000 0.202 161 D C 1.903 178.113 176.300 -0.149 0.000 0.975 161 D CA 2.053 55.972 54.000 -0.135 0.000 0.839 161 D CB -0.093 40.651 40.800 -0.092 0.000 0.996 161 D HN 0.361 nan 8.370 nan 0.000 0.464 162 V N -2.635 117.167 119.914 -0.187 0.000 3.235 162 V HA 0.415 4.536 4.120 0.001 0.000 0.259 162 V C 1.169 177.137 176.094 -0.211 0.000 1.133 162 V CA 0.645 62.842 62.300 -0.171 0.000 1.128 162 V CB -0.862 30.877 31.823 -0.139 0.000 0.757 162 V HN 0.367 nan 8.190 nan 0.000 0.469 163 G N -0.096 108.507 108.800 -0.328 0.000 2.814 163 G HA2 -0.180 3.780 3.960 0.001 0.000 0.677 163 G HA3 -0.180 3.780 3.960 0.001 0.000 0.677 163 G C -0.787 173.884 174.900 -0.382 0.000 1.429 163 G CA -0.163 44.736 45.100 -0.335 0.000 0.868 163 G HN 0.519 nan 8.290 nan 0.000 0.553 164 F N 1.362 121.257 119.950 -0.092 0.000 2.458 164 F HA 0.595 5.122 4.527 0.001 0.000 0.330 164 F C -1.035 174.734 175.800 -0.052 0.000 1.082 164 F CA -1.593 56.353 58.000 -0.090 0.000 0.995 164 F CB 2.006 40.967 39.000 -0.065 0.000 1.170 164 F HN 0.454 nan 8.300 nan 0.000 0.478 165 P HA 0.300 nan 4.420 nan 0.000 0.276 165 P C -1.230 176.080 177.300 0.016 0.000 1.244 165 P CA -0.484 62.630 63.100 0.022 0.000 0.801 165 P CB 0.779 32.287 31.700 -0.321 0.000 1.006 166 C N -0.125 119.209 119.300 0.058 0.000 2.994 166 C HA 0.764 5.225 4.460 0.001 0.000 0.304 166 C C -0.513 174.492 174.990 0.026 0.000 1.273 166 C CA -0.956 58.077 59.018 0.023 0.000 1.537 166 C CB 0.251 27.996 27.740 0.009 0.000 2.001 166 C HN 0.381 nan 8.230 nan 0.000 0.471 167 I N 1.880 122.451 120.570 0.002 0.000 2.354 167 I HA 0.516 4.687 4.170 0.001 0.000 0.292 167 I C -0.143 175.984 176.117 0.017 0.000 0.989 167 I CA -0.541 60.754 61.300 -0.008 0.000 1.188 167 I CB 1.253 39.231 38.000 -0.037 0.000 1.342 167 I HN 0.570 nan 8.210 nan 0.000 0.457 168 I N 6.802 127.377 120.570 0.008 0.000 2.339 168 I HA 0.476 4.647 4.170 0.001 0.000 0.290 168 I C -0.021 176.076 176.117 -0.034 0.000 0.994 168 I CA -0.341 60.949 61.300 -0.018 0.000 1.191 168 I CB 0.667 38.626 38.000 -0.069 0.000 1.343 168 I HN 0.372 nan 8.210 nan 0.000 0.458 169 R N 6.854 127.330 120.500 -0.040 0.000 2.473 169 R HA 0.437 4.778 4.340 0.001 0.000 0.303 169 R C -2.701 173.569 176.300 -0.049 0.000 1.002 169 R CA -1.753 54.322 56.100 -0.043 0.000 0.884 169 R CB 1.919 32.192 30.300 -0.046 0.000 1.173 169 R HN 0.228 nan 8.270 nan 0.000 0.464 170 P HA 0.117 nan 4.420 nan 0.000 0.274 170 P C -0.538 176.749 177.300 -0.022 0.000 1.231 170 P CA -0.254 62.828 63.100 -0.031 0.000 0.790 170 P CB 0.955 32.643 31.700 -0.021 0.000 0.951 171 S N 1.282 116.992 115.700 0.017 0.000 2.562 171 S HA 0.373 4.844 4.470 0.001 0.000 0.275 171 S C -0.047 174.648 174.600 0.159 0.000 1.281 171 S CA -0.129 58.102 58.200 0.051 0.000 1.045 171 S CB -0.709 62.572 63.200 0.134 0.000 0.962 171 S HN 0.442 nan 8.310 nan 0.000 0.503 172 F N 0.221 120.147 119.950 -0.039 0.000 3.043 172 F HA -0.230 4.297 4.527 0.001 0.000 0.290 172 F C 0.875 176.649 175.800 -0.045 0.000 0.844 172 F CA 0.902 58.878 58.000 -0.041 0.000 1.184 172 F CB -1.978 37.001 39.000 -0.034 0.000 1.246 172 F HN 0.648 nan 8.300 nan 0.000 0.536 173 T N -1.755 112.812 114.554 0.022 0.000 2.883 173 T HA 0.876 5.227 4.350 0.001 0.000 0.296 173 T C -0.248 174.430 174.700 -0.036 0.000 1.117 173 T CA -0.186 61.915 62.100 0.002 0.000 1.006 173 T CB 2.884 71.750 68.868 -0.003 0.000 1.191 173 T HN 0.443 nan 8.240 nan 0.000 0.508 174 M N -0.184 119.401 119.600 -0.025 0.000 3.079 174 M HA 0.857 5.337 4.480 0.001 0.000 0.277 174 M C 0.887 177.172 176.300 -0.024 0.000 1.317 174 M CA 0.283 55.581 55.300 -0.004 0.000 0.793 174 M CB 0.252 32.858 32.600 0.008 0.000 1.690 174 M HN 1.549 nan 8.290 nan 0.000 0.451 175 G N -0.799 107.997 108.800 -0.007 0.000 2.180 175 G HA2 0.155 4.116 3.960 0.001 0.000 0.263 175 G HA3 0.155 4.116 3.960 0.001 0.000 0.263 175 G C 1.216 175.838 174.900 -0.464 0.000 0.989 175 G CA 1.037 45.960 45.100 -0.294 0.000 0.692 175 G HN 2.551 nan 8.290 nan 0.000 0.526 176 G N -1.631 107.054 108.800 -0.192 0.000 2.155 176 G HA2 -0.098 3.863 3.960 0.001 0.000 0.257 176 G HA3 -0.098 3.863 3.960 0.001 0.000 0.257 176 G C 0.586 175.427 174.900 -0.098 0.000 0.983 176 G CA 0.849 45.893 45.100 -0.092 0.000 0.676 176 G HN 1.853 nan 8.290 nan 0.000 0.528 177 S N 0.098 115.735 115.700 -0.106 0.000 2.544 177 S HA 0.417 4.888 4.470 0.001 0.000 0.290 177 S C 1.700 176.258 174.600 -0.070 0.000 1.276 177 S CA 1.168 59.310 58.200 -0.096 0.000 1.075 177 S CB 0.994 64.143 63.200 -0.084 0.000 0.849 177 S HN 2.102 nan 8.310 nan 0.000 0.494 178 G N 2.279 111.033 108.800 -0.076 0.000 2.184 178 G HA2 -0.181 3.779 3.960 0.001 0.000 0.264 178 G HA3 -0.181 3.779 3.960 0.001 0.000 0.264 178 G C 0.350 175.211 174.900 -0.065 0.000 0.975 178 G CA 0.044 45.104 45.100 -0.067 0.000 0.642 178 G HN 1.113 nan 8.290 nan 0.000 0.536 179 G N -1.486 107.279 108.800 -0.058 0.000 2.887 179 G HA2 1.026 4.987 3.960 0.001 0.000 0.277 179 G HA3 1.026 4.987 3.960 0.001 0.000 0.277 179 G C 0.268 175.148 174.900 -0.034 0.000 1.346 179 G CA 0.244 45.316 45.100 -0.047 0.000 1.058 179 G HN 1.755 nan 8.290 nan 0.000 0.535 180 G N -1.821 106.968 108.800 -0.019 0.000 2.324 180 G HA2 0.384 4.345 3.960 0.001 0.000 0.293 180 G HA3 0.384 4.345 3.960 0.001 0.000 0.293 180 G C -1.766 173.129 174.900 -0.009 0.000 1.297 180 G CA -0.852 44.247 45.100 -0.002 0.000 0.853 180 G HN 0.677 nan 8.290 nan 0.000 0.535 181 I N 1.140 121.701 120.570 -0.016 0.000 2.378 181 I HA 0.609 4.779 4.170 0.001 0.000 0.291 181 I C 0.525 176.545 176.117 -0.161 0.000 0.992 181 I CA -0.785 60.446 61.300 -0.115 0.000 1.154 181 I CB 1.931 39.806 38.000 -0.208 0.000 1.315 181 I HN 0.769 nan 8.210 nan 0.000 0.448 182 A N 5.553 128.301 122.820 -0.120 0.000 2.260 182 A HA 0.499 4.819 4.320 0.001 0.000 0.314 182 A C -0.541 176.878 177.584 -0.274 0.000 1.257 182 A CA -0.260 51.748 52.037 -0.049 0.000 0.871 182 A CB 0.190 19.375 19.000 0.307 0.000 1.166 182 A HN 0.743 nan 8.150 nan 0.000 0.522 183 Y N 1.504 121.728 120.300 -0.127 0.000 2.462 183 Y HA 0.125 4.676 4.550 0.002 0.000 0.261 183 Y C 0.797 176.374 175.900 -0.538 0.000 1.146 183 Y CA 0.632 58.610 58.100 -0.203 0.000 1.283 183 Y CB 0.246 38.642 38.460 -0.106 0.000 1.090 183 Y HN 0.912 nan 8.280 nan 0.000 0.526 184 N N -2.692 115.582 118.700 -0.710 0.000 2.927 184 N HA 0.184 4.925 4.740 0.001 0.000 0.248 184 N C 0.257 175.310 175.510 -0.762 0.000 1.443 184 N CA -1.012 51.507 53.050 -0.886 0.000 0.870 184 N CB 0.660 38.957 38.487 -0.316 0.000 1.444 184 N HN -0.201 nan 8.380 nan 0.000 0.519 185 R N -0.002 120.256 120.500 -0.403 0.000 2.096 185 R HA -0.185 4.155 4.340 0.001 0.000 0.240 185 R C 1.307 177.676 176.300 0.114 0.000 1.139 185 R CA 2.042 58.162 56.100 0.034 0.000 0.952 185 R CB -0.232 30.141 30.300 0.122 0.000 0.854 185 R HN 0.826 nan 8.270 nan 0.000 0.436 186 E N 0.255 120.469 120.200 0.022 0.000 2.038 186 E HA -0.238 4.113 4.350 0.001 0.000 0.195 186 E C 1.846 178.473 176.600 0.045 0.000 1.000 186 E CA 1.710 58.132 56.400 0.037 0.000 0.803 186 E CB 0.019 29.722 29.700 0.006 0.000 0.750 186 E HN 0.425 nan 8.360 nan 0.000 0.448 187 E N -0.322 119.886 120.200 0.014 0.000 2.058 187 E HA -0.206 4.145 4.350 0.001 0.000 0.194 187 E C 1.846 178.493 176.600 0.080 0.000 0.997 187 E CA 1.192 57.611 56.400 0.032 0.000 0.801 187 E CB -0.237 29.476 29.700 0.021 0.000 0.746 187 E HN 0.270 nan 8.360 nan 0.000 0.450 188 F N 1.928 121.856 119.950 -0.036 0.000 2.043 188 F HA -0.272 4.256 4.527 0.001 0.000 0.297 188 F C 2.193 178.026 175.800 0.054 0.000 1.121 188 F CA 1.811 59.849 58.000 0.064 0.000 1.199 188 F CB 0.038 39.172 39.000 0.222 0.000 0.968 188 F HN -0.026 nan 8.300 nan 0.000 0.478 189 E N -0.290 119.998 120.200 0.147 0.000 2.118 189 E HA -0.275 4.075 4.350 0.001 0.000 0.195 189 E C 2.204 178.774 176.600 -0.050 0.000 0.992 189 E CA 1.293 57.709 56.400 0.026 0.000 0.804 189 E CB -0.350 29.418 29.700 0.113 0.000 0.741 189 E HN 0.579 nan 8.360 nan 0.000 0.458 190 E N 0.925 121.111 120.200 -0.024 0.000 2.031 190 E HA -0.198 4.153 4.350 0.001 0.000 0.193 190 E C 2.166 178.718 176.600 -0.080 0.000 0.994 190 E CA 0.923 57.301 56.400 -0.037 0.000 0.800 190 E CB -0.053 29.639 29.700 -0.014 0.000 0.752 190 E HN 0.226 nan 8.360 nan 0.000 0.447 191 I N 0.740 121.248 120.570 -0.103 0.000 2.179 191 I HA -0.353 3.818 4.170 0.001 0.000 0.242 191 I C 2.807 178.814 176.117 -0.183 0.000 1.088 191 I CA 0.934 62.156 61.300 -0.130 0.000 1.357 191 I CB -0.450 37.480 38.000 -0.116 0.000 1.051 191 I HN 0.278 nan 8.210 nan 0.000 0.409 192 C N 0.885 120.004 119.300 -0.302 0.000 2.413 192 C HA -0.174 4.287 4.460 0.001 0.000 0.276 192 C C 3.248 178.140 174.990 -0.163 0.000 1.236 192 C CA 0.946 59.779 59.018 -0.308 0.000 1.735 192 C CB -1.328 26.110 27.740 -0.504 0.000 2.031 192 C HN 0.619 nan 8.230 nan 0.000 0.474 193 A N 0.399 123.146 122.820 -0.121 0.000 1.908 193 A HA -0.251 4.070 4.320 0.001 0.000 0.218 193 A C 2.233 179.780 177.584 -0.062 0.000 1.181 193 A CA 2.060 54.060 52.037 -0.061 0.000 0.627 193 A CB -0.660 18.322 19.000 -0.031 0.000 0.818 193 A HN 0.668 nan 8.150 nan 0.000 0.445 194 R N -0.732 119.720 120.500 -0.082 0.000 2.070 194 R HA -0.104 4.237 4.340 0.001 0.000 0.233 194 R C 2.332 178.592 176.300 -0.067 0.000 1.137 194 R CA 1.776 57.828 56.100 -0.080 0.000 0.945 194 R CB -0.843 29.406 30.300 -0.086 0.000 0.845 194 R HN 0.442 nan 8.270 nan 0.000 0.430 195 G N 1.055 109.809 108.800 -0.078 0.000 2.446 195 G HA2 -0.273 3.688 3.960 0.001 0.000 0.217 195 G HA3 -0.273 3.688 3.960 0.001 0.000 0.217 195 G C 1.490 176.362 174.900 -0.047 0.000 1.168 195 G CA 0.932 45.991 45.100 -0.068 0.000 0.771 195 G HN 0.269 nan 8.290 nan 0.000 0.551 196 L N 0.098 121.291 121.223 -0.050 0.000 2.042 196 L HA -0.096 4.245 4.340 0.001 0.000 0.210 196 L C 2.546 179.415 176.870 -0.001 0.000 1.076 196 L CA 1.608 56.435 54.840 -0.022 0.000 0.749 196 L CB -0.296 41.752 42.059 -0.019 0.000 0.893 196 L HN 0.225 nan 8.230 nan 0.000 0.432 197 D N -0.551 119.846 120.400 -0.005 0.000 2.183 197 D HA -0.165 4.475 4.640 0.001 0.000 0.203 197 D C 1.988 178.292 176.300 0.007 0.000 0.969 197 D CA 0.572 54.578 54.000 0.010 0.000 0.842 197 D CB 0.241 41.050 40.800 0.015 0.000 0.957 197 D HN 0.064 nan 8.370 nan 0.000 0.484 198 L N 0.068 121.286 121.223 -0.007 0.000 2.095 198 L HA 0.151 4.491 4.340 0.001 0.000 0.204 198 L C 0.777 177.651 176.870 0.007 0.000 1.080 198 L CA 0.639 55.475 54.840 -0.005 0.000 0.759 198 L CB -0.655 41.391 42.059 -0.023 0.000 0.914 198 L HN -0.118 nan 8.230 nan 0.000 0.439 199 S N 0.302 116.009 115.700 0.012 0.000 2.596 199 S HA 0.019 4.490 4.470 0.001 0.000 0.298 199 S C -1.404 173.216 174.600 0.032 0.000 1.255 199 S CA -0.831 57.392 58.200 0.037 0.000 1.083 199 S CB 0.389 63.614 63.200 0.043 0.000 0.837 199 S HN 0.136 nan 8.310 nan 0.000 0.499 200 P HA -0.044 nan 4.420 nan 0.000 0.219 200 P C 1.103 178.357 177.300 -0.077 0.000 1.146 200 P CA 1.189 64.264 63.100 -0.041 0.000 0.808 200 P CB -0.114 31.527 31.700 -0.098 0.000 0.779 201 T N -5.313 109.230 114.554 -0.019 0.000 3.134 201 T HA 0.210 4.561 4.350 0.001 0.000 0.260 201 T C 0.729 175.464 174.700 0.059 0.000 1.027 201 T CA -0.511 61.585 62.100 -0.008 0.000 0.913 201 T CB -0.578 68.323 68.868 0.055 0.000 1.046 201 T HN -0.087 nan 8.240 nan 0.000 0.553 202 K N 0.967 121.398 120.400 0.052 0.000 3.096 202 K HA -0.187 4.134 4.320 0.001 0.000 0.266 202 K C -0.402 176.257 176.600 0.099 0.000 1.043 202 K CA 0.793 57.121 56.287 0.068 0.000 0.758 202 K CB -1.117 31.425 32.500 0.069 0.000 1.260 202 K HN 0.889 nan 8.250 nan 0.000 0.481 203 E N 0.427 120.663 120.200 0.061 0.000 2.340 203 E HA 0.542 4.893 4.350 0.001 0.000 0.273 203 E C -1.116 175.452 176.600 -0.055 0.000 0.891 203 E CA -0.882 55.507 56.400 -0.017 0.000 0.757 203 E CB 1.339 31.063 29.700 0.040 0.000 1.231 203 E HN 0.198 nan 8.360 nan 0.000 0.439 204 L N 3.452 124.598 121.223 -0.127 0.000 2.381 204 L HA 0.538 4.879 4.340 0.001 0.000 0.268 204 L C -0.946 175.864 176.870 -0.100 0.000 0.997 204 L CA -1.202 53.578 54.840 -0.099 0.000 0.818 204 L CB 1.858 43.853 42.059 -0.106 0.000 1.310 204 L HN 0.520 nan 8.230 nan 0.000 0.416 205 L N 3.522 124.707 121.223 -0.063 0.000 2.313 205 L HA 0.623 4.964 4.340 0.001 0.000 0.283 205 L C -0.987 175.869 176.870 -0.024 0.000 1.013 205 L CA 0.105 54.920 54.840 -0.043 0.000 0.816 205 L CB 1.290 43.332 42.059 -0.029 0.000 1.236 205 L HN 0.393 nan 8.230 nan 0.000 0.419 206 I N 4.434 125.002 120.570 -0.003 0.000 2.378 206 I HA 0.450 4.621 4.170 0.001 0.000 0.291 206 I C -0.873 175.248 176.117 0.006 0.000 0.992 206 I CA -0.154 61.167 61.300 0.035 0.000 1.154 206 I CB 1.620 39.693 38.000 0.122 0.000 1.315 206 I HN 0.617 nan 8.210 nan 0.000 0.448 207 D N 3.981 124.377 120.400 -0.008 0.000 2.419 207 D HA 0.340 4.980 4.640 0.001 0.000 0.234 207 D C -0.678 175.585 176.300 -0.060 0.000 1.014 207 D CA -0.792 53.184 54.000 -0.041 0.000 0.919 207 D CB 1.134 41.901 40.800 -0.054 0.000 1.366 207 D HN 0.560 nan 8.370 nan 0.000 0.490 208 E N -0.346 119.803 120.200 -0.084 0.000 2.392 208 E HA 0.244 4.595 4.350 0.001 0.000 0.259 208 E C -0.339 176.187 176.600 -0.123 0.000 1.108 208 E CA -0.644 55.696 56.400 -0.101 0.000 0.916 208 E CB 0.824 30.463 29.700 -0.102 0.000 0.989 208 E HN 0.165 nan 8.360 nan 0.000 0.432 209 S N 1.497 117.126 115.700 -0.117 0.000 2.528 209 S HA 0.143 4.614 4.470 0.001 0.000 0.277 209 S C 0.287 174.748 174.600 -0.232 0.000 1.297 209 S CA -0.583 57.536 58.200 -0.135 0.000 1.052 209 S CB 0.010 63.163 63.200 -0.079 0.000 0.917 209 S HN 0.547 nan 8.310 nan 0.000 0.492 210 L N 5.401 126.440 121.223 -0.307 0.000 3.168 210 L HA 0.401 4.742 4.340 0.001 0.000 0.277 210 L C -0.176 176.525 176.870 -0.282 0.000 1.245 210 L CA -0.262 54.218 54.840 -0.600 0.000 1.035 210 L CB 0.110 41.713 42.059 -0.760 0.000 1.399 210 L HN 0.606 nan 8.230 nan 0.000 0.580 211 I N 1.203 121.709 120.570 -0.107 0.000 2.752 211 I HA -0.024 4.146 4.170 0.001 0.000 0.289 211 I C 1.475 177.648 176.117 0.093 0.000 1.197 211 I CA 1.445 62.750 61.300 0.008 0.000 1.432 211 I CB 0.452 38.472 38.000 0.033 0.000 1.359 211 I HN 0.467 nan 8.210 nan 0.000 0.571 212 G N 4.349 113.226 108.800 0.127 0.000 2.213 212 G HA2 -0.216 3.745 3.960 0.001 0.000 0.226 212 G HA3 -0.216 3.745 3.960 0.001 0.000 0.226 212 G C -0.156 174.925 174.900 0.302 0.000 0.992 212 G CA -0.673 44.523 45.100 0.159 0.000 0.632 212 G HN 0.479 nan 8.290 nan 0.000 0.511 213 W N 1.990 123.318 121.300 0.048 0.000 2.129 213 W HA 0.644 5.304 4.660 0.001 0.000 0.349 213 W C 1.028 177.590 176.519 0.070 0.000 1.279 213 W CA -0.765 56.626 57.345 0.078 0.000 1.306 213 W CB 0.441 29.952 29.460 0.085 0.000 1.140 213 W HN -0.026 nan 8.180 nan 0.000 0.613 214 K N 1.602 122.174 120.400 0.287 0.000 2.326 214 K HA 0.109 4.429 4.320 0.001 0.000 0.275 214 K C -0.335 176.360 176.600 0.158 0.000 1.018 214 K CA -0.247 56.137 56.287 0.161 0.000 0.962 214 K CB 0.863 33.465 32.500 0.171 0.000 0.953 214 K HN 0.391 nan 8.250 nan 0.000 0.475 215 E N 2.417 122.591 120.200 -0.043 0.000 2.187 215 E HA 0.281 4.632 4.350 0.001 0.000 0.268 215 E C -1.553 174.904 176.600 -0.237 0.000 0.896 215 E CA -0.560 55.839 56.400 -0.002 0.000 0.766 215 E CB 0.798 30.505 29.700 0.013 0.000 1.142 215 E HN 0.359 nan 8.360 nan 0.000 0.408 216 Y N 1.394 121.794 120.300 0.167 0.000 2.576 216 Y HA 0.442 4.993 4.550 0.001 0.000 0.346 216 Y C -0.407 175.614 175.900 0.203 0.000 1.018 216 Y CA -0.837 57.363 58.100 0.165 0.000 1.050 216 Y CB 2.280 40.824 38.460 0.140 0.000 1.280 216 Y HN 0.429 nan 8.280 nan 0.000 0.474 217 E N 1.951 122.373 120.200 0.370 0.000 2.366 217 E HA 0.604 4.954 4.350 0.001 0.000 0.278 217 E C -1.578 175.156 176.600 0.223 0.000 0.923 217 E CA -0.972 55.582 56.400 0.257 0.000 0.761 217 E CB 3.097 32.873 29.700 0.127 0.000 1.231 217 E HN 0.464 nan 8.360 nan 0.000 0.443 218 M N 1.724 121.443 119.600 0.199 0.000 2.259 218 M HA 0.288 4.768 4.480 0.001 0.000 0.304 218 M C -1.021 175.321 176.300 0.070 0.000 1.019 218 M CA -0.922 54.449 55.300 0.118 0.000 0.922 218 M CB 2.181 34.846 32.600 0.109 0.000 1.600 218 M HN 0.337 nan 8.290 nan 0.000 0.433 219 E N 3.154 123.370 120.200 0.027 0.000 2.167 219 E HA 0.446 4.796 4.350 0.001 0.000 0.284 219 E C -1.014 175.561 176.600 -0.042 0.000 1.016 219 E CA -0.229 56.169 56.400 -0.004 0.000 0.817 219 E CB 1.371 31.058 29.700 -0.020 0.000 1.080 219 E HN 0.364 nan 8.360 nan 0.000 0.397 220 V N 2.647 122.545 119.914 -0.026 0.000 2.715 220 V HA 0.535 4.656 4.120 0.001 0.000 0.310 220 V C 0.027 176.098 176.094 -0.038 0.000 1.054 220 V CA -0.980 61.297 62.300 -0.039 0.000 0.928 220 V CB 2.231 34.053 31.823 -0.001 0.000 1.007 220 V HN 0.317 nan 8.190 nan 0.000 0.437 221 V N 3.696 123.579 119.914 -0.052 0.000 2.588 221 V HA 0.695 4.815 4.120 0.001 0.000 0.304 221 V C -0.301 175.802 176.094 0.015 0.000 1.042 221 V CA -0.672 61.621 62.300 -0.012 0.000 0.877 221 V CB 1.981 33.795 31.823 -0.015 0.000 0.996 221 V HN 0.961 nan 8.190 nan 0.000 0.425 222 R N 2.740 123.263 120.500 0.038 0.000 2.725 222 R HA 0.684 5.025 4.340 0.001 0.000 0.277 222 R C -1.657 174.675 176.300 0.055 0.000 0.987 222 R CA -0.477 55.648 56.100 0.041 0.000 0.901 222 R CB 2.112 32.433 30.300 0.034 0.000 1.207 222 R HN 0.911 nan 8.270 nan 0.000 0.463 223 D N 1.558 121.993 120.400 0.058 0.000 2.497 223 D HA 0.149 4.790 4.640 0.001 0.000 0.243 223 D C 0.359 176.690 176.300 0.052 0.000 1.039 223 D CA -0.857 53.182 54.000 0.064 0.000 1.052 223 D CB 1.107 41.956 40.800 0.083 0.000 1.344 223 D HN 0.631 nan 8.370 nan 0.000 0.553 224 K N -0.139 120.292 120.400 0.051 0.000 2.211 224 K HA -0.170 4.151 4.320 0.001 0.000 0.204 224 K C 0.325 176.947 176.600 0.036 0.000 1.047 224 K CA 1.208 57.519 56.287 0.039 0.000 0.935 224 K CB -0.383 32.138 32.500 0.034 0.000 0.728 224 K HN 0.161 nan 8.250 nan 0.000 0.452 225 N N 0.944 119.669 118.700 0.042 0.000 2.336 225 N HA -0.044 4.697 4.740 0.001 0.000 0.189 225 N C -0.512 175.019 175.510 0.036 0.000 1.113 225 N CA 0.763 53.836 53.050 0.038 0.000 0.858 225 N CB 0.203 38.715 38.487 0.042 0.000 0.970 225 N HN 0.328 nan 8.380 nan 0.000 0.471 226 D N -0.657 119.765 120.400 0.037 0.000 3.070 226 D HA -0.158 4.483 4.640 0.001 0.000 0.210 226 D C -0.847 175.475 176.300 0.037 0.000 1.103 226 D CA 0.423 54.443 54.000 0.033 0.000 0.980 226 D CB -1.425 39.391 40.800 0.026 0.000 1.100 226 D HN 0.183 nan 8.370 nan 0.000 0.423 227 N N 0.262 118.989 118.700 0.046 0.000 2.508 227 N HA 0.335 5.076 4.740 0.001 0.000 0.264 227 N C -0.136 175.401 175.510 0.045 0.000 1.216 227 N CA 0.258 53.338 53.050 0.049 0.000 0.943 227 N CB 1.368 39.894 38.487 0.064 0.000 1.113 227 N HN 0.323 nan 8.380 nan 0.000 0.447 228 C N 2.574 121.896 119.300 0.037 0.000 2.701 228 C HA 0.696 5.157 4.460 0.001 0.000 0.336 228 C C -0.872 174.121 174.990 0.006 0.000 1.123 228 C CA -0.703 58.328 59.018 0.022 0.000 1.326 228 C CB -0.321 27.430 27.740 0.018 0.000 1.833 228 C HN 0.740 nan 8.230 nan 0.000 0.473 229 I N 3.047 123.602 120.570 -0.025 0.000 2.934 229 I HA 0.662 4.833 4.170 0.001 0.000 0.306 229 I C -0.987 175.065 176.117 -0.108 0.000 1.110 229 I CA -0.912 60.349 61.300 -0.066 0.000 1.019 229 I CB 1.602 39.535 38.000 -0.111 0.000 1.227 229 I HN 0.259 nan 8.210 nan 0.000 0.434 230 I N 4.413 124.922 120.570 -0.101 0.000 2.308 230 I HA 0.126 4.297 4.170 0.001 0.000 0.293 230 I C 1.123 177.123 176.117 -0.195 0.000 1.078 230 I CA -0.219 61.021 61.300 -0.099 0.000 1.292 230 I CB 1.069 39.056 38.000 -0.021 0.000 1.423 230 I HN 0.568 nan 8.210 nan 0.000 0.493 231 V N 5.344 125.088 119.914 -0.283 0.000 2.488 231 V HA -0.087 4.034 4.120 0.001 0.000 0.246 231 V C 0.810 176.771 176.094 -0.222 0.000 1.046 231 V CA 1.106 63.138 62.300 -0.447 0.000 1.053 231 V CB 0.221 31.669 31.823 -0.624 0.000 0.679 231 V HN 0.879 nan 8.190 nan 0.000 0.458 232 C N -0.438 118.802 119.300 -0.100 0.000 3.241 232 C HA 0.598 5.058 4.460 0.001 0.000 0.348 232 C C -0.320 174.699 174.990 0.048 0.000 1.180 232 C CA -0.431 58.580 59.018 -0.012 0.000 1.273 232 C CB 1.370 29.112 27.740 0.004 0.000 1.620 232 C HN 0.474 nan 8.230 nan 0.000 0.510 233 S N 3.820 119.584 115.700 0.107 0.000 2.503 233 S HA 0.893 5.364 4.470 0.001 0.000 0.301 233 S C -1.097 173.607 174.600 0.172 0.000 1.087 233 S CA -0.562 57.735 58.200 0.162 0.000 1.042 233 S CB 1.219 64.587 63.200 0.280 0.000 1.043 233 S HN 0.709 nan 8.310 nan 0.000 0.489 234 I N 1.473 122.169 120.570 0.210 0.000 2.499 234 I HA 0.412 4.582 4.170 0.001 0.000 0.288 234 I C -0.593 175.662 176.117 0.230 0.000 1.048 234 I CA -0.400 61.013 61.300 0.188 0.000 1.062 234 I CB 2.212 40.289 38.000 0.128 0.000 1.238 234 I HN 0.828 nan 8.210 nan 0.000 0.426 235 E N 6.743 127.049 120.200 0.176 0.000 2.145 235 E HA 0.322 4.673 4.350 0.001 0.000 0.270 235 E C -0.833 175.766 176.600 -0.002 0.000 0.906 235 E CA -0.590 55.807 56.400 -0.005 0.000 0.761 235 E CB 1.034 30.828 29.700 0.156 0.000 1.116 235 E HN 0.547 nan 8.360 nan 0.000 0.408 236 N N 4.182 122.805 118.700 -0.129 0.000 2.492 236 N HA 0.020 4.760 4.740 0.001 0.000 0.262 236 N C 0.204 175.701 175.510 -0.022 0.000 1.202 236 N CA -0.049 52.980 53.050 -0.035 0.000 0.926 236 N CB 0.616 39.077 38.487 -0.043 0.000 1.078 236 N HN 0.549 nan 8.380 nan 0.000 0.454 237 F N 2.106 121.905 119.950 -0.251 0.000 2.118 237 F HA 0.010 4.538 4.527 0.001 0.000 0.293 237 F C 0.622 176.295 175.800 -0.213 0.000 1.102 237 F CA 0.781 58.464 58.000 -0.527 0.000 1.247 237 F CB 0.273 38.921 39.000 -0.587 0.000 1.017 237 F HN 0.386 nan 8.300 nan 0.000 0.475 238 D N 1.865 122.318 120.400 0.088 0.000 2.351 238 D HA 0.273 4.913 4.640 0.001 0.000 0.251 238 D C 0.416 176.716 176.300 -0.000 0.000 1.137 238 D CA 0.375 54.401 54.000 0.043 0.000 0.879 238 D CB 1.368 42.263 40.800 0.159 0.000 1.181 238 D HN 0.336 nan 8.370 nan 0.000 0.448 239 A N 3.341 126.150 122.820 -0.018 0.000 2.281 239 A HA 0.143 4.464 4.320 0.001 0.000 0.271 239 A C 0.777 178.390 177.584 0.048 0.000 1.196 239 A CA -0.385 51.663 52.037 0.019 0.000 0.807 239 A CB 0.190 19.202 19.000 0.019 0.000 1.138 239 A HN 0.528 nan 8.150 nan 0.000 0.506 240 M N 0.011 119.662 119.600 0.084 0.000 2.260 240 M HA 0.264 4.744 4.480 0.001 0.000 0.348 240 M C 1.345 177.675 176.300 0.051 0.000 1.342 240 M CA 1.854 57.198 55.300 0.073 0.000 1.040 240 M CB -0.338 32.322 32.600 0.100 0.000 1.810 240 M HN 1.422 nan 8.290 nan 0.000 0.453 241 G N 3.821 112.645 108.800 0.039 0.000 2.336 241 G HA2 -0.142 3.819 3.960 0.001 0.000 0.194 241 G HA3 -0.142 3.819 3.960 0.001 0.000 0.194 241 G C 0.018 174.966 174.900 0.079 0.000 0.999 241 G CA -0.632 44.497 45.100 0.050 0.000 0.669 241 G HN 0.561 nan 8.290 nan 0.000 0.482 242 I N 2.368 122.989 120.570 0.086 0.000 2.389 242 I HA 0.336 4.507 4.170 0.001 0.000 0.288 242 I C 0.635 176.835 176.117 0.139 0.000 0.999 242 I CA -1.046 60.330 61.300 0.127 0.000 1.129 242 I CB 1.350 39.428 38.000 0.129 0.000 1.288 242 I HN 0.142 nan 8.210 nan 0.000 0.444 243 H N 4.974 124.093 119.070 0.081 0.000 3.038 243 H HA -0.073 4.484 4.556 0.001 0.000 0.338 243 H C 1.164 176.533 175.328 0.067 0.000 1.041 243 H CA 1.263 57.347 56.048 0.061 0.000 1.394 243 H CB 1.272 31.068 29.762 0.056 0.000 1.357 243 H HN 0.864 nan 8.280 nan 0.000 0.600 244 T N 0.724 115.144 114.554 -0.223 0.000 2.737 244 T HA -0.163 4.188 4.350 0.001 0.000 0.269 244 T C 2.089 176.854 174.700 0.108 0.000 1.040 244 T CA 1.198 63.259 62.100 -0.065 0.000 1.142 244 T CB -0.619 68.161 68.868 -0.147 0.000 0.861 244 T HN 0.639 nan 8.240 nan 0.000 0.456 245 G N 0.637 109.644 108.800 0.344 0.000 2.534 245 G HA2 -0.017 3.943 3.960 0.001 0.000 0.217 245 G HA3 -0.017 3.943 3.960 0.001 0.000 0.217 245 G C 1.008 175.999 174.900 0.152 0.000 1.128 245 G CA 0.561 45.812 45.100 0.253 0.000 0.784 245 G HN 0.493 nan 8.290 nan 0.000 0.542 246 D N -0.274 120.264 120.400 0.231 0.000 2.363 246 D HA 0.234 4.874 4.640 0.001 0.000 0.214 246 D C 0.602 177.083 176.300 0.302 0.000 1.093 246 D CA 0.028 54.197 54.000 0.282 0.000 0.837 246 D CB 0.697 41.740 40.800 0.404 0.000 0.948 246 D HN 0.069 nan 8.370 nan 0.000 0.507 247 S N -0.157 115.658 115.700 0.192 0.000 2.651 247 S HA 0.479 4.950 4.470 0.001 0.000 0.291 247 S C 0.345 175.005 174.600 0.101 0.000 1.141 247 S CA -0.650 57.645 58.200 0.160 0.000 1.027 247 S CB 1.723 64.993 63.200 0.115 0.000 1.043 247 S HN 0.034 nan 8.310 nan 0.000 0.530 248 I N 2.673 123.296 120.570 0.087 0.000 2.441 248 I HA 0.267 4.438 4.170 0.001 0.000 0.287 248 I C 0.577 176.705 176.117 0.017 0.000 1.049 248 I CA 0.052 61.327 61.300 -0.042 0.000 1.381 248 I CB 0.950 38.758 38.000 -0.320 0.000 1.409 248 I HN 0.662 nan 8.210 nan 0.000 0.523 249 T N 3.893 118.448 114.554 0.002 0.000 2.906 249 T HA 0.768 5.119 4.350 0.001 0.000 0.295 249 T C -0.552 174.186 174.700 0.063 0.000 1.061 249 T CA -0.762 61.363 62.100 0.042 0.000 1.000 249 T CB 1.925 70.821 68.868 0.047 0.000 1.103 249 T HN 0.425 nan 8.240 nan 0.000 0.486 250 V N -1.256 118.734 119.914 0.127 0.000 2.962 250 V HA 1.026 5.147 4.120 0.001 0.000 0.313 250 V C -0.556 175.634 176.094 0.160 0.000 1.099 250 V CA -1.175 61.227 62.300 0.169 0.000 0.971 250 V CB 1.251 33.258 31.823 0.306 0.000 1.028 250 V HN 1.563 nan 8.190 nan 0.000 0.430 251 A N 4.479 127.379 122.820 0.135 0.000 2.371 251 A HA 1.036 5.357 4.320 0.001 0.000 0.311 251 A C -2.831 174.806 177.584 0.088 0.000 1.068 251 A CA -1.796 50.307 52.037 0.109 0.000 0.744 251 A CB 1.878 20.929 19.000 0.086 0.000 1.239 251 A HN 0.809 nan 8.150 nan 0.000 0.435 252 P HA 0.498 nan 4.420 nan 0.000 0.306 252 P C 0.111 177.473 177.300 0.104 0.000 1.309 252 P CA -0.248 62.890 63.100 0.064 0.000 0.759 252 P CB 0.708 32.403 31.700 -0.008 0.000 1.314 253 A N 0.255 123.169 122.820 0.158 0.000 2.507 253 A HA 0.071 4.392 4.320 0.001 0.000 0.235 253 A C 1.144 178.742 177.584 0.023 0.000 1.070 253 A CA 0.325 52.492 52.037 0.217 0.000 0.768 253 A CB -0.334 18.860 19.000 0.323 0.000 1.011 253 A HN 0.481 nan 8.150 nan 0.000 0.502 254 Q N -0.030 119.731 119.800 -0.065 0.000 2.532 254 Q HA 0.020 4.361 4.340 0.001 0.000 0.247 254 Q C 1.380 177.066 176.000 -0.523 0.000 0.872 254 Q CA 1.683 57.213 55.803 -0.454 0.000 0.963 254 Q CB -0.071 28.097 28.738 -0.951 0.000 1.159 254 Q HN 0.990 nan 8.270 nan 0.000 0.598 255 T N -1.783 112.590 114.554 -0.301 0.000 3.214 255 T HA 0.447 4.798 4.350 0.001 0.000 0.264 255 T C 0.513 175.152 174.700 -0.102 0.000 1.012 255 T CA -0.163 61.787 62.100 -0.250 0.000 0.901 255 T CB -0.218 68.542 68.868 -0.180 0.000 1.070 255 T HN -0.096 nan 8.240 nan 0.000 0.561 256 L N 3.106 124.277 121.223 -0.087 0.000 2.307 256 L HA 0.468 4.809 4.340 0.001 0.000 0.282 256 L C 0.994 177.805 176.870 -0.098 0.000 1.051 256 L CA -0.914 53.864 54.840 -0.103 0.000 0.804 256 L CB 1.541 43.518 42.059 -0.138 0.000 1.197 256 L HN 0.353 nan 8.230 nan 0.000 0.431 257 T N -2.316 112.185 114.554 -0.089 0.000 2.828 257 T HA 0.024 4.374 4.350 0.001 0.000 0.290 257 T C 0.759 175.424 174.700 -0.057 0.000 1.019 257 T CA -0.574 61.478 62.100 -0.080 0.000 1.031 257 T CB 1.289 70.115 68.868 -0.070 0.000 1.001 257 T HN 0.653 nan 8.240 nan 0.000 0.531 258 D N 0.331 120.693 120.400 -0.064 0.000 2.133 258 D HA -0.138 4.502 4.640 0.001 0.000 0.195 258 D C 1.988 178.286 176.300 -0.003 0.000 0.997 258 D CA 1.559 55.533 54.000 -0.043 0.000 0.840 258 D CB -0.075 40.686 40.800 -0.064 0.000 0.947 258 D HN 0.660 nan 8.370 nan 0.000 0.452 259 K N -0.063 120.320 120.400 -0.029 0.000 2.063 259 K HA -0.164 4.157 4.320 0.001 0.000 0.208 259 K C 2.211 178.781 176.600 -0.051 0.000 1.048 259 K CA 1.416 57.681 56.287 -0.035 0.000 0.928 259 K CB -0.080 32.395 32.500 -0.042 0.000 0.713 259 K HN 0.316 nan 8.250 nan 0.000 0.442 260 E N -0.330 119.830 120.200 -0.066 0.000 2.072 260 E HA -0.197 4.153 4.350 0.001 0.000 0.190 260 E C 1.848 178.355 176.600 -0.156 0.000 0.982 260 E CA 0.934 57.262 56.400 -0.120 0.000 0.803 260 E CB -0.144 29.471 29.700 -0.141 0.000 0.755 260 E HN 0.308 nan 8.360 nan 0.000 0.453 261 Y N 1.909 122.078 120.300 -0.218 0.000 2.224 261 Y HA -0.262 4.288 4.550 0.001 0.000 0.289 261 Y C 2.239 178.019 175.900 -0.200 0.000 1.146 261 Y CA 1.462 59.421 58.100 -0.235 0.000 1.182 261 Y CB 0.154 38.501 38.460 -0.188 0.000 0.983 261 Y HN -0.032 nan 8.280 nan 0.000 0.524 262 Q N 0.301 120.103 119.800 0.003 0.000 2.079 262 Q HA -0.148 4.193 4.340 0.001 0.000 0.200 262 Q C 2.460 178.381 176.000 -0.132 0.000 0.974 262 Q CA 1.899 57.681 55.803 -0.036 0.000 0.840 262 Q CB -0.580 28.163 28.738 0.007 0.000 0.898 262 Q HN 0.611 nan 8.270 nan 0.000 0.430 263 I N 0.361 120.842 120.570 -0.149 0.000 2.163 263 I HA -0.299 3.872 4.170 0.001 0.000 0.243 263 I C 2.535 178.497 176.117 -0.258 0.000 1.085 263 I CA 1.190 62.394 61.300 -0.160 0.000 1.347 263 I CB -0.270 37.645 38.000 -0.141 0.000 1.044 263 I HN 0.217 nan 8.210 nan 0.000 0.408 264 M N 0.355 119.699 119.600 -0.426 0.000 2.132 264 M HA -0.233 4.247 4.480 0.001 0.000 0.263 264 M C 2.536 178.501 176.300 -0.559 0.000 1.065 264 M CA 1.655 56.530 55.300 -0.708 0.000 1.122 264 M CB -0.152 31.879 32.600 -0.948 0.000 1.365 264 M HN 0.082 nan 8.290 nan 0.000 0.411 265 R N 0.238 120.453 120.500 -0.475 0.000 2.073 265 R HA -0.163 4.178 4.340 0.001 0.000 0.234 265 R C 1.635 177.852 176.300 -0.139 0.000 1.134 265 R CA 2.426 58.340 56.100 -0.311 0.000 0.952 265 R CB -0.437 29.715 30.300 -0.246 0.000 0.850 265 R HN 0.567 nan 8.270 nan 0.000 0.433 266 N N -0.176 118.455 118.700 -0.115 0.000 2.120 266 N HA -0.169 4.571 4.740 0.001 0.000 0.188 266 N C 1.817 177.317 175.510 -0.016 0.000 1.024 266 N CA 1.045 54.064 53.050 -0.052 0.000 0.852 266 N CB -0.167 38.292 38.487 -0.048 0.000 1.003 266 N HN 0.303 nan 8.380 nan 0.000 0.424 267 A N 0.810 123.619 122.820 -0.018 0.000 1.933 267 A HA -0.117 4.203 4.320 0.001 0.000 0.218 267 A C 2.339 180.044 177.584 0.202 0.000 1.175 267 A CA 1.464 53.562 52.037 0.102 0.000 0.628 267 A CB -0.549 18.562 19.000 0.185 0.000 0.814 267 A HN 0.189 nan 8.150 nan 0.000 0.444 268 S N -0.148 115.688 115.700 0.226 0.000 2.368 268 S HA -0.163 4.307 4.470 0.001 0.000 0.225 268 S C 1.989 176.652 174.600 0.105 0.000 1.030 268 S CA 1.803 60.150 58.200 0.245 0.000 0.999 268 S CB -0.412 62.900 63.200 0.186 0.000 0.844 268 S HN 0.602 nan 8.310 nan 0.000 0.459 269 M N 1.037 120.670 119.600 0.055 0.000 2.200 269 M HA -0.006 4.474 4.480 0.001 0.000 0.265 269 M C 2.538 178.857 176.300 0.031 0.000 1.066 269 M CA 1.219 56.538 55.300 0.032 0.000 1.127 269 M CB -0.657 31.951 32.600 0.014 0.000 1.379 269 M HN 0.379 nan 8.290 nan 0.000 0.420 270 A N 0.279 123.119 122.820 0.033 0.000 1.933 270 A HA -0.079 4.241 4.320 0.001 0.000 0.218 270 A C 2.288 179.880 177.584 0.013 0.000 1.175 270 A CA 1.478 53.526 52.037 0.019 0.000 0.628 270 A CB -0.905 18.105 19.000 0.018 0.000 0.814 270 A HN 0.291 nan 8.150 nan 0.000 0.444 271 V N -0.441 119.494 119.914 0.034 0.000 2.261 271 V HA -0.235 3.886 4.120 0.001 0.000 0.246 271 V C 2.502 178.617 176.094 0.035 0.000 1.047 271 V CA 1.975 64.290 62.300 0.026 0.000 1.015 271 V CB -0.772 31.092 31.823 0.069 0.000 0.642 271 V HN 0.493 nan 8.190 nan 0.000 0.446 272 L N -0.469 120.781 121.223 0.044 0.000 2.083 272 L HA -0.135 4.205 4.340 0.001 0.000 0.209 272 L C 2.581 179.467 176.870 0.026 0.000 1.083 272 L CA 1.860 56.724 54.840 0.039 0.000 0.752 272 L CB -0.686 41.394 42.059 0.035 0.000 0.899 272 L HN 0.203 nan 8.230 nan 0.000 0.433 273 R N -0.866 119.645 120.500 0.019 0.000 2.075 273 R HA -0.193 4.148 4.340 0.001 0.000 0.232 273 R C 2.239 178.541 176.300 0.002 0.000 1.126 273 R CA 1.350 57.457 56.100 0.011 0.000 0.963 273 R CB -0.244 30.061 30.300 0.009 0.000 0.858 273 R HN 0.242 nan 8.270 nan 0.000 0.435 274 E N 0.859 121.054 120.200 -0.009 0.000 2.072 274 E HA -0.144 4.207 4.350 0.001 0.000 0.191 274 E C 1.563 178.152 176.600 -0.018 0.000 0.985 274 E CA 1.143 57.527 56.400 -0.027 0.000 0.801 274 E CB -0.076 29.586 29.700 -0.062 0.000 0.750 274 E HN 0.110 nan 8.360 nan 0.000 0.452 275 I N -0.176 120.395 120.570 0.001 0.000 2.315 275 I HA 0.055 4.225 4.170 0.001 0.000 0.248 275 I C 1.724 177.857 176.117 0.026 0.000 1.117 275 I CA 1.616 62.933 61.300 0.028 0.000 1.404 275 I CB -0.218 37.830 38.000 0.079 0.000 1.071 275 I HN 0.396 nan 8.210 nan 0.000 0.419 276 G N -0.320 108.493 108.800 0.022 0.000 2.141 276 G HA2 -0.151 3.810 3.960 0.001 0.000 0.164 276 G HA3 -0.151 3.810 3.960 0.001 0.000 0.164 276 G C 0.069 174.984 174.900 0.025 0.000 1.009 276 G CA -0.087 45.026 45.100 0.021 0.000 0.677 276 G HN 0.119 nan 8.290 nan 0.000 0.508 277 V N 0.438 120.369 119.914 0.028 0.000 2.432 277 V HA 0.505 4.626 4.120 0.001 0.000 0.271 277 V C 1.064 177.175 176.094 0.029 0.000 1.046 277 V CA 0.590 62.907 62.300 0.029 0.000 0.945 277 V CB 1.544 33.386 31.823 0.031 0.000 0.992 277 V HN 0.433 nan 8.190 nan 0.000 0.471 278 E N 2.040 122.257 120.200 0.029 0.000 2.606 278 E HA 0.093 4.443 4.350 0.001 0.000 0.224 278 E C 0.345 176.967 176.600 0.037 0.000 0.930 278 E CA 0.453 56.871 56.400 0.031 0.000 1.125 278 E CB 1.002 30.718 29.700 0.026 0.000 1.123 278 E HN 0.862 nan 8.360 nan 0.000 0.522 279 T N -1.800 112.777 114.554 0.039 0.000 3.734 279 T HA 0.646 4.996 4.350 0.001 0.000 0.238 279 T C 0.036 174.766 174.700 0.050 0.000 1.205 279 T CA -0.205 61.923 62.100 0.047 0.000 1.606 279 T CB 0.929 69.821 68.868 0.040 0.000 0.832 279 T HN 0.155 nan 8.240 nan 0.000 0.655 280 G N -0.137 108.695 108.800 0.054 0.000 2.360 280 G HA2 0.607 4.567 3.960 0.001 0.000 0.276 280 G HA3 0.607 4.567 3.960 0.001 0.000 0.276 280 G C -0.571 174.362 174.900 0.054 0.000 1.256 280 G CA -0.153 44.982 45.100 0.058 0.000 0.890 280 G HN 0.716 nan 8.290 nan 0.000 0.486 281 G N -1.211 107.621 108.800 0.054 0.000 2.552 281 G HA2 0.759 4.720 3.960 0.001 0.000 0.324 281 G HA3 0.759 4.720 3.960 0.001 0.000 0.324 281 G C -0.654 174.267 174.900 0.036 0.000 1.217 281 G CA 0.288 45.413 45.100 0.043 0.000 0.989 281 G HN 1.387 nan 8.290 nan 0.000 0.490 282 S N -0.894 114.822 115.700 0.027 0.000 2.578 282 S HA 0.394 4.864 4.470 0.001 0.000 0.272 282 S C -1.249 173.361 174.600 0.016 0.000 1.145 282 S CA -0.910 57.303 58.200 0.021 0.000 0.835 282 S CB 1.901 65.112 63.200 0.018 0.000 1.104 282 S HN 0.840 nan 8.310 nan 0.000 0.458 283 N N 0.999 119.702 118.700 0.005 0.000 2.321 283 N HA 0.629 5.370 4.740 0.001 0.000 0.299 283 N C -1.712 173.777 175.510 -0.034 0.000 1.048 283 N CA -0.321 52.730 53.050 0.001 0.000 0.836 283 N CB 1.670 40.159 38.487 0.003 0.000 1.269 283 N HN 0.391 nan 8.380 nan 0.000 0.486 284 V N 2.829 122.728 119.914 -0.024 0.000 2.531 284 V HA 0.359 4.480 4.120 0.001 0.000 0.301 284 V C -0.424 175.553 176.094 -0.195 0.000 1.034 284 V CA -0.776 61.441 62.300 -0.138 0.000 0.865 284 V CB 1.572 33.333 31.823 -0.102 0.000 0.995 284 V HN 0.642 nan 8.190 nan 0.000 0.424 285 Q N 3.654 123.250 119.800 -0.341 0.000 2.266 285 Q HA 0.804 5.144 4.340 0.001 0.000 0.261 285 Q C -1.549 174.201 176.000 -0.416 0.000 0.985 285 Q CA -0.384 55.292 55.803 -0.212 0.000 0.873 285 Q CB 2.544 31.207 28.738 -0.124 0.000 1.306 285 Q HN 0.640 nan 8.270 nan 0.000 0.447 286 F N -0.225 119.789 119.950 0.106 0.000 2.629 286 F HA 0.764 5.291 4.527 0.001 0.000 0.316 286 F C -0.572 175.353 175.800 0.208 0.000 1.081 286 F CA -1.139 56.946 58.000 0.142 0.000 0.954 286 F CB 1.805 40.884 39.000 0.131 0.000 1.337 286 F HN 0.555 nan 8.300 nan 0.000 0.474 287 A N 0.991 124.084 122.820 0.455 0.000 2.355 287 A HA 0.870 5.191 4.320 0.001 0.000 0.317 287 A C -1.740 176.202 177.584 0.597 0.000 1.094 287 A CA -0.721 51.607 52.037 0.484 0.000 0.764 287 A CB 1.506 20.742 19.000 0.393 0.000 1.230 287 A HN 0.529 nan 8.150 nan 0.000 0.448 288 V N 2.791 123.024 119.914 0.532 0.000 2.577 288 V HA 0.294 4.414 4.120 0.001 0.000 0.303 288 V C -0.374 175.587 176.094 -0.222 0.000 1.042 288 V CA -0.963 61.465 62.300 0.215 0.000 0.872 288 V CB 1.910 33.857 31.823 0.208 0.000 0.998 288 V HN 0.913 nan 8.190 nan 0.000 0.423 289 N N 7.436 125.580 118.700 -0.928 0.000 2.399 289 N HA 0.203 4.943 4.740 0.001 0.000 0.259 289 N C -1.342 173.829 175.510 -0.564 0.000 1.160 289 N CA -1.864 50.331 53.050 -1.425 0.000 0.946 289 N CB 1.700 39.229 38.487 -1.596 0.000 1.156 289 N HN 0.324 nan 8.380 nan 0.000 0.489 290 P HA -0.120 nan 4.420 nan 0.000 0.226 290 P C 0.462 177.681 177.300 -0.135 0.000 1.146 290 P CA 1.198 64.217 63.100 -0.135 0.000 0.773 290 P CB 0.418 32.110 31.700 -0.013 0.000 0.772 291 K N -0.400 119.889 120.400 -0.184 0.000 2.356 291 K HA 0.022 4.342 4.320 0.001 0.000 0.195 291 K C 0.837 177.367 176.600 -0.117 0.000 1.037 291 K CA 0.705 56.919 56.287 -0.121 0.000 1.014 291 K CB 0.121 32.566 32.500 -0.091 0.000 0.815 291 K HN 0.207 nan 8.250 nan 0.000 0.507 292 N N -2.454 116.151 118.700 -0.158 0.000 1.997 292 N HA 0.056 4.796 4.740 0.001 0.000 0.225 292 N C 0.622 176.057 175.510 -0.124 0.000 1.383 292 N CA 0.406 53.385 53.050 -0.119 0.000 0.770 292 N CB 0.550 38.979 38.487 -0.097 0.000 1.178 292 N HN 0.029 nan 8.380 nan 0.000 0.515 293 G N 1.213 109.919 108.800 -0.157 0.000 2.189 293 G HA2 -0.422 3.538 3.960 0.001 0.000 0.267 293 G HA3 -0.422 3.538 3.960 0.001 0.000 0.267 293 G C 0.081 174.908 174.900 -0.122 0.000 0.975 293 G CA 0.406 45.427 45.100 -0.132 0.000 0.644 293 G HN 0.734 nan 8.290 nan 0.000 0.537 294 R N -0.030 120.382 120.500 -0.147 0.000 2.504 294 R HA 0.279 4.620 4.340 0.001 0.000 0.291 294 R C -0.042 176.284 176.300 0.043 0.000 0.974 294 R CA -0.132 55.938 56.100 -0.050 0.000 1.077 294 R CB 0.017 30.302 30.300 -0.024 0.000 0.926 294 R HN 0.393 nan 8.270 nan 0.000 0.407 295 L N 6.504 127.790 121.223 0.106 0.000 2.295 295 L HA 0.505 4.846 4.340 0.001 0.000 0.285 295 L C -0.889 176.147 176.870 0.277 0.000 1.035 295 L CA -0.297 54.647 54.840 0.174 0.000 0.806 295 L CB 1.381 43.472 42.059 0.053 0.000 1.214 295 L HN 0.628 nan 8.230 nan 0.000 0.426 296 I N 5.044 125.836 120.570 0.370 0.000 2.545 296 I HA 0.388 4.559 4.170 0.001 0.000 0.292 296 I C -0.829 175.466 176.117 0.296 0.000 1.040 296 I CA -1.020 60.457 61.300 0.294 0.000 1.068 296 I CB 2.312 40.455 38.000 0.238 0.000 1.251 296 I HN 0.247 nan 8.210 nan 0.000 0.424 297 V N 6.272 126.301 119.914 0.192 0.000 2.465 297 V HA 0.219 4.340 4.120 0.001 0.000 0.279 297 V C 0.843 176.960 176.094 0.038 0.000 1.045 297 V CA -0.295 62.040 62.300 0.059 0.000 0.938 297 V CB 1.544 33.391 31.823 0.039 0.000 0.986 297 V HN 0.553 nan 8.190 nan 0.000 0.467 298 I N 2.668 123.195 120.570 -0.072 0.000 2.726 298 I HA 0.233 4.403 4.170 0.001 0.000 0.243 298 I C 0.948 176.969 176.117 -0.161 0.000 1.082 298 I CA 0.946 62.201 61.300 -0.075 0.000 1.447 298 I CB -0.346 37.597 38.000 -0.095 0.000 1.250 298 I HN 0.986 nan 8.210 nan 0.000 0.453 299 E N 0.768 120.780 120.200 -0.314 0.000 2.442 299 E HA 0.534 4.885 4.350 0.001 0.000 0.278 299 E C -0.908 175.354 176.600 -0.564 0.000 1.082 299 E CA -0.921 55.085 56.400 -0.657 0.000 0.861 299 E CB 1.894 31.300 29.700 -0.491 0.000 1.462 299 E HN 0.059 nan 8.360 nan 0.000 0.458 300 M N 0.700 119.896 119.600 -0.673 0.000 2.371 300 M HA 0.580 5.061 4.480 0.001 0.000 0.287 300 M C -2.154 173.984 176.300 -0.269 0.000 1.149 300 M CA -0.513 54.595 55.300 -0.321 0.000 0.929 300 M CB 2.389 34.938 32.600 -0.084 0.000 1.683 300 M HN 0.357 nan 8.290 nan 0.000 0.470 301 N N 4.325 122.935 118.700 -0.151 0.000 2.511 301 N HA 0.415 5.156 4.740 0.001 0.000 0.249 301 N C -2.581 172.900 175.510 -0.047 0.000 0.971 301 N CA -1.215 51.773 53.050 -0.103 0.000 0.938 301 N CB 1.687 40.140 38.487 -0.055 0.000 1.131 301 N HN 0.550 nan 8.380 nan 0.000 0.505 302 P HA 0.094 nan 4.420 nan 0.000 0.228 302 P C -0.466 176.839 177.300 0.008 0.000 1.748 302 P CA 0.196 63.288 63.100 -0.012 0.000 0.909 302 P CB -0.145 31.545 31.700 -0.017 0.000 1.882 303 R N -2.127 118.389 120.500 0.027 0.000 2.788 303 R HA 0.518 4.858 4.340 0.001 0.000 0.274 303 R C -0.731 175.627 176.300 0.097 0.000 1.017 303 R CA -1.127 55.007 56.100 0.056 0.000 0.874 303 R CB 0.070 30.399 30.300 0.048 0.000 1.315 303 R HN -0.164 nan 8.270 nan 0.000 0.462 304 V N -0.239 119.762 119.914 0.146 0.000 3.051 304 V HA 0.684 4.805 4.120 0.001 0.000 0.306 304 V C 0.159 176.414 176.094 0.268 0.000 1.083 304 V CA 0.240 62.649 62.300 0.181 0.000 1.104 304 V CB 1.072 33.008 31.823 0.187 0.000 1.027 304 V HN 0.987 nan 8.190 nan 0.000 0.483 305 S N 2.668 118.476 115.700 0.180 0.000 2.794 305 S HA 0.503 4.973 4.470 0.001 0.000 0.299 305 S C 0.710 175.299 174.600 -0.018 0.000 1.179 305 S CA -0.535 57.760 58.200 0.157 0.000 0.838 305 S CB 1.653 64.926 63.200 0.122 0.000 1.206 305 S HN 1.045 nan 8.310 nan 0.000 0.523 306 R N 0.246 120.728 120.500 -0.030 0.000 2.148 306 R HA 0.080 4.420 4.340 0.001 0.000 0.227 306 R C 1.543 177.832 176.300 -0.018 0.000 1.103 306 R CA 1.665 57.714 56.100 -0.084 0.000 0.983 306 R CB -0.844 29.428 30.300 -0.047 0.000 0.874 306 R HN 0.422 nan 8.270 nan 0.000 0.451 307 S N 1.050 116.763 115.700 0.022 0.000 2.414 307 S HA -0.083 4.388 4.470 0.001 0.000 0.227 307 S C 1.970 176.598 174.600 0.048 0.000 1.022 307 S CA 1.197 59.419 58.200 0.036 0.000 0.958 307 S CB 0.059 63.283 63.200 0.041 0.000 0.797 307 S HN 0.653 nan 8.310 nan 0.000 0.493 308 S N 1.734 117.469 115.700 0.059 0.000 2.436 308 S HA 0.155 4.626 4.470 0.001 0.000 0.228 308 S C 1.943 176.617 174.600 0.124 0.000 1.014 308 S CA 0.707 58.958 58.200 0.085 0.000 0.950 308 S CB -0.320 62.936 63.200 0.093 0.000 0.784 308 S HN 0.442 nan 8.310 nan 0.000 0.504 309 A N 1.793 124.675 122.820 0.104 0.000 1.898 309 A HA 0.175 4.495 4.320 0.001 0.000 0.216 309 A C 2.181 179.788 177.584 0.037 0.000 1.181 309 A CA 1.356 53.468 52.037 0.126 0.000 0.620 309 A CB -0.806 18.214 19.000 0.032 0.000 0.819 309 A HN 0.536 nan 8.150 nan 0.000 0.442 310 L N -0.271 120.966 121.223 0.024 0.000 2.093 310 L HA 0.010 4.350 4.340 0.001 0.000 0.208 310 L C 2.574 179.471 176.870 0.045 0.000 1.085 310 L CA 2.059 56.911 54.840 0.020 0.000 0.755 310 L CB -0.681 41.391 42.059 0.022 0.000 0.904 310 L HN 0.315 nan 8.230 nan 0.000 0.435 311 A N -1.386 121.475 122.820 0.067 0.000 1.902 311 A HA -0.162 4.158 4.320 0.001 0.000 0.217 311 A C 2.379 180.038 177.584 0.125 0.000 1.181 311 A CA 1.902 53.985 52.037 0.077 0.000 0.623 311 A CB -0.912 18.122 19.000 0.058 0.000 0.818 311 A HN 0.519 nan 8.150 nan 0.000 0.443 312 S N -0.194 115.610 115.700 0.173 0.000 2.356 312 S HA -0.113 4.358 4.470 0.001 0.000 0.223 312 S C 2.046 176.805 174.600 0.265 0.000 1.032 312 S CA 1.452 59.816 58.200 0.274 0.000 1.005 312 S CB -0.177 63.239 63.200 0.359 0.000 0.867 312 S HN 0.439 nan 8.310 nan 0.000 0.449 313 K N 1.953 122.445 120.400 0.153 0.000 2.097 313 K HA 0.194 4.514 4.320 0.001 0.000 0.205 313 K C 2.205 178.851 176.600 0.078 0.000 1.050 313 K CA 1.183 57.543 56.287 0.122 0.000 0.938 313 K CB -1.032 31.447 32.500 -0.034 0.000 0.718 313 K HN 0.337 nan 8.250 nan 0.000 0.442 314 A N 0.808 123.653 122.820 0.041 0.000 1.933 314 A HA -0.146 4.175 4.320 0.001 0.000 0.218 314 A C 2.196 179.875 177.584 0.159 0.000 1.175 314 A CA 2.504 54.568 52.037 0.045 0.000 0.628 314 A CB -0.677 18.357 19.000 0.056 0.000 0.814 314 A HN 0.501 nan 8.150 nan 0.000 0.444 315 T N -5.957 108.710 114.554 0.189 0.000 3.023 315 T HA 0.427 4.777 4.350 0.001 0.000 0.249 315 T C 1.455 176.334 174.700 0.299 0.000 1.050 315 T CA 1.132 63.367 62.100 0.224 0.000 1.088 315 T CB 0.322 69.298 68.868 0.180 0.000 0.946 315 T HN 1.708 nan 8.240 nan 0.000 0.480 316 G N 1.176 110.200 108.800 0.374 0.000 2.157 316 G HA2 -0.192 3.768 3.960 0.001 0.000 0.239 316 G HA3 -0.192 3.768 3.960 0.001 0.000 0.239 316 G C -0.226 174.947 174.900 0.454 0.000 0.982 316 G CA -0.049 45.324 45.100 0.455 0.000 0.650 316 G HN 0.631 nan 8.290 nan 0.000 0.527 317 F N 3.689 123.797 119.950 0.262 0.000 2.350 317 F HA 0.592 5.119 4.527 0.001 0.000 0.365 317 F C -1.901 174.032 175.800 0.222 0.000 1.122 317 F CA -3.320 54.810 58.000 0.215 0.000 1.139 317 F CB 1.525 40.573 39.000 0.081 0.000 1.220 317 F HN -0.057 nan 8.300 nan 0.000 0.499 318 P HA 0.098 nan 4.420 nan 0.000 0.249 318 P C 1.286 178.746 177.300 0.267 0.000 1.737 318 P CA 0.340 63.597 63.100 0.261 0.000 1.128 318 P CB -0.123 31.659 31.700 0.137 0.000 1.942 319 I N 1.917 122.742 120.570 0.424 0.000 2.091 319 I HA -0.362 3.808 4.170 0.001 0.000 0.240 319 I C 2.324 178.554 176.117 0.188 0.000 1.046 319 I CA 2.138 63.651 61.300 0.354 0.000 1.306 319 I CB -0.937 37.202 38.000 0.232 0.000 1.018 319 I HN 0.196 nan 8.210 nan 0.000 0.404 320 A N 0.169 123.043 122.820 0.091 0.000 1.972 320 A HA -0.230 4.091 4.320 0.001 0.000 0.219 320 A C 2.341 179.921 177.584 -0.006 0.000 1.169 320 A CA 1.756 53.801 52.037 0.014 0.000 0.635 320 A CB -0.450 18.496 19.000 -0.090 0.000 0.810 320 A HN 0.349 nan 8.150 nan 0.000 0.446 321 K N -0.705 119.683 120.400 -0.019 0.000 2.062 321 K HA -0.015 4.306 4.320 0.001 0.000 0.205 321 K C 1.853 178.454 176.600 0.001 0.000 1.051 321 K CA 1.234 57.503 56.287 -0.030 0.000 0.941 321 K CB -0.187 32.286 32.500 -0.044 0.000 0.719 321 K HN 0.249 nan 8.250 nan 0.000 0.440 322 V N 0.905 120.843 119.914 0.039 0.000 2.307 322 V HA -0.234 3.887 4.120 0.001 0.000 0.245 322 V C 2.215 178.365 176.094 0.093 0.000 1.045 322 V CA 2.062 64.403 62.300 0.069 0.000 1.024 322 V CB -0.474 31.447 31.823 0.164 0.000 0.651 322 V HN 0.409 nan 8.190 nan 0.000 0.449 323 A N -0.275 122.608 122.820 0.104 0.000 1.972 323 A HA -0.069 4.251 4.320 0.001 0.000 0.219 323 A C 2.388 180.007 177.584 0.058 0.000 1.169 323 A CA 1.917 54.006 52.037 0.087 0.000 0.635 323 A CB -0.639 18.412 19.000 0.084 0.000 0.810 323 A HN 0.559 nan 8.150 nan 0.000 0.446 324 A N 0.086 122.928 122.820 0.038 0.000 1.858 324 A HA -0.161 4.160 4.320 0.001 0.000 0.216 324 A C 2.090 179.695 177.584 0.034 0.000 1.190 324 A CA 1.771 53.819 52.037 0.017 0.000 0.617 324 A CB -0.479 18.520 19.000 -0.000 0.000 0.827 324 A HN 0.508 nan 8.150 nan 0.000 0.443 325 K N -0.956 119.478 120.400 0.057 0.000 2.152 325 K HA -0.114 4.207 4.320 0.001 0.000 0.206 325 K C 1.640 178.370 176.600 0.217 0.000 1.048 325 K CA 1.177 57.538 56.287 0.124 0.000 0.933 325 K CB -0.281 32.212 32.500 -0.012 0.000 0.721 325 K HN 0.296 nan 8.250 nan 0.000 0.447 326 L N 0.268 121.577 121.223 0.142 0.000 2.179 326 L HA -0.023 4.318 4.340 0.001 0.000 0.208 326 L C 2.200 179.126 176.870 0.093 0.000 1.096 326 L CA 1.281 56.205 54.840 0.139 0.000 0.779 326 L CB -0.723 41.402 42.059 0.111 0.000 0.922 326 L HN 0.088 nan 8.230 nan 0.000 0.443 327 A N -0.572 122.283 122.820 0.059 0.000 2.019 327 A HA -0.094 4.227 4.320 0.001 0.000 0.219 327 A C 1.652 179.233 177.584 -0.005 0.000 1.164 327 A CA 1.495 53.542 52.037 0.018 0.000 0.644 327 A CB -0.721 18.275 19.000 -0.006 0.000 0.805 327 A HN 0.289 nan 8.150 nan 0.000 0.449 328 V N -4.116 115.803 119.914 0.008 0.000 3.110 328 V HA 0.615 4.735 4.120 0.001 0.000 0.368 328 V C 1.047 177.143 176.094 0.002 0.000 1.332 328 V CA 0.465 62.755 62.300 -0.017 0.000 1.287 328 V CB -0.988 30.760 31.823 -0.126 0.000 1.277 328 V HN 1.310 nan 8.190 nan 0.000 0.502 329 G N -0.079 108.726 108.800 0.007 0.000 2.336 329 G HA2 -0.325 3.636 3.960 0.001 0.000 0.233 329 G HA3 -0.325 3.636 3.960 0.001 0.000 0.233 329 G C 0.027 174.912 174.900 -0.025 0.000 1.053 329 G CA 0.225 45.299 45.100 -0.043 0.000 0.625 329 G HN 0.618 nan 8.290 nan 0.000 0.511 330 Y N 2.934 123.268 120.300 0.056 0.000 2.702 330 Y HA 0.355 4.906 4.550 0.001 0.000 0.336 330 Y C 1.671 177.602 175.900 0.052 0.000 1.235 330 Y CA 0.950 59.083 58.100 0.055 0.000 1.492 330 Y CB 0.635 39.131 38.460 0.060 0.000 1.308 330 Y HN 0.363 nan 8.280 nan 0.000 0.589 331 T N -0.183 114.516 114.554 0.242 0.000 2.943 331 T HA 0.358 4.708 4.350 0.001 0.000 0.284 331 T C 1.018 175.811 174.700 0.154 0.000 1.015 331 T CA -0.956 61.240 62.100 0.159 0.000 1.042 331 T CB 1.058 69.992 68.868 0.111 0.000 1.055 331 T HN 0.658 nan 8.240 nan 0.000 0.500 332 L N 0.957 122.260 121.223 0.134 0.000 1.997 332 L HA -0.172 4.168 4.340 0.001 0.000 0.216 332 L C 2.699 179.645 176.870 0.127 0.000 1.074 332 L CA 2.120 57.046 54.840 0.143 0.000 0.763 332 L CB -0.780 41.374 42.059 0.158 0.000 0.890 332 L HN 0.852 nan 8.230 nan 0.000 0.434 333 D N -0.182 120.285 120.400 0.111 0.000 2.263 333 D HA -0.226 4.415 4.640 0.001 0.000 0.208 333 D C 1.560 177.906 176.300 0.076 0.000 0.971 333 D CA 1.291 55.343 54.000 0.088 0.000 0.867 333 D CB -0.376 40.470 40.800 0.076 0.000 0.929 333 D HN 0.486 nan 8.370 nan 0.000 0.492 334 E N -0.305 119.956 120.200 0.101 0.000 2.435 334 E HA 0.158 4.509 4.350 0.001 0.000 0.195 334 E C 0.406 177.039 176.600 0.055 0.000 1.029 334 E CA 0.007 56.475 56.400 0.113 0.000 0.865 334 E CB 0.281 30.114 29.700 0.221 0.000 0.833 334 E HN 0.348 nan 8.360 nan 0.000 0.510 335 L N 0.986 122.222 121.223 0.023 0.000 2.344 335 L HA 0.370 4.711 4.340 0.001 0.000 0.272 335 L C -0.024 176.822 176.870 -0.039 0.000 1.035 335 L CA -0.989 53.822 54.840 -0.050 0.000 0.807 335 L CB 0.893 42.914 42.059 -0.063 0.000 1.237 335 L HN -0.030 nan 8.230 nan 0.000 0.442 336 M N 1.579 121.136 119.600 -0.072 0.000 2.423 336 M HA 0.268 4.749 4.480 0.001 0.000 0.335 336 M C -0.309 175.933 176.300 -0.097 0.000 1.177 336 M CA -0.994 54.257 55.300 -0.082 0.000 1.038 336 M CB 0.852 33.402 32.600 -0.083 0.000 1.641 336 M HN 0.377 nan 8.290 nan 0.000 0.455 337 N N 1.796 120.425 118.700 -0.119 0.000 2.405 337 N HA 0.030 4.770 4.740 0.001 0.000 0.260 337 N C 0.368 175.811 175.510 -0.111 0.000 1.152 337 N CA 0.337 53.317 53.050 -0.118 0.000 0.948 337 N CB 0.431 38.799 38.487 -0.199 0.000 1.111 337 N HN 0.422 nan 8.380 nan 0.000 0.485 338 D N 2.599 122.949 120.400 -0.084 0.000 2.242 338 D HA -0.255 4.386 4.640 0.001 0.000 0.193 338 D C 1.751 177.987 176.300 -0.107 0.000 1.005 338 D CA 1.976 55.944 54.000 -0.053 0.000 0.856 338 D CB -0.260 40.571 40.800 0.053 0.000 1.001 338 D HN 0.796 nan 8.370 nan 0.000 0.452 339 I N -0.795 119.678 120.570 -0.162 0.000 2.756 339 I HA -0.109 4.062 4.170 0.001 0.000 0.262 339 I C 1.079 177.147 176.117 -0.081 0.000 1.225 339 I CA 1.445 62.642 61.300 -0.172 0.000 1.472 339 I CB -0.536 37.310 38.000 -0.258 0.000 1.094 339 I HN -0.068 nan 8.210 nan 0.000 0.454 340 T N -1.552 112.952 114.554 -0.083 0.000 3.278 340 T HA 0.482 4.833 4.350 0.001 0.000 0.251 340 T C 1.362 176.015 174.700 -0.078 0.000 1.039 340 T CA 0.124 62.179 62.100 -0.076 0.000 0.935 340 T CB -0.077 68.685 68.868 -0.178 0.000 1.034 340 T HN 0.706 nan 8.240 nan 0.000 0.575 341 G N 0.961 109.720 108.800 -0.067 0.000 2.143 341 G HA2 0.017 3.978 3.960 0.001 0.000 0.248 341 G HA3 0.017 3.978 3.960 0.001 0.000 0.248 341 G C 1.031 175.891 174.900 -0.066 0.000 0.991 341 G CA 0.076 45.144 45.100 -0.053 0.000 0.689 341 G HN 1.711 nan 8.290 nan 0.000 0.522 342 G N -1.085 107.661 108.800 -0.091 0.000 2.233 342 G HA2 -0.328 3.633 3.960 0.001 0.000 0.270 342 G HA3 -0.328 3.633 3.960 0.001 0.000 0.270 342 G C 1.053 175.889 174.900 -0.107 0.000 1.011 342 G CA 1.401 46.444 45.100 -0.095 0.000 0.762 342 G HN 0.961 nan 8.290 nan 0.000 0.511 343 R N -0.003 120.417 120.500 -0.132 0.000 2.119 343 R HA 0.204 4.545 4.340 0.001 0.000 0.222 343 R C 1.930 178.096 176.300 -0.223 0.000 1.088 343 R CA 1.635 57.651 56.100 -0.139 0.000 0.984 343 R CB -0.008 30.228 30.300 -0.106 0.000 0.884 343 R HN 0.684 nan 8.270 nan 0.000 0.447 344 T N -2.008 112.351 114.554 -0.325 0.000 2.942 344 T HA 0.600 4.951 4.350 0.001 0.000 0.289 344 T C -2.769 171.753 174.700 -0.296 0.000 1.044 344 T CA -2.522 59.331 62.100 -0.412 0.000 1.023 344 T CB 2.682 71.088 68.868 -0.770 0.000 1.123 344 T HN -0.215 nan 8.240 nan 0.000 0.512 345 P HA 0.392 nan 4.420 nan 0.000 0.278 345 P C 0.363 177.700 177.300 0.061 0.000 1.266 345 P CA -0.627 62.434 63.100 -0.066 0.000 0.807 345 P CB 0.688 32.385 31.700 -0.005 0.000 1.094 346 A N 0.652 123.564 122.820 0.154 0.000 2.167 346 A HA 0.011 4.332 4.320 0.001 0.000 0.214 346 A C 1.206 179.088 177.584 0.498 0.000 1.151 346 A CA 0.742 52.969 52.037 0.317 0.000 0.735 346 A CB -1.216 17.847 19.000 0.104 0.000 0.802 346 A HN 0.584 nan 8.150 nan 0.000 0.467 347 S N 0.603 116.515 115.700 0.353 0.000 3.869 347 S HA 0.548 5.018 4.470 0.001 0.000 0.241 347 S C -0.357 174.472 174.600 0.382 0.000 1.363 347 S CA -0.616 57.761 58.200 0.295 0.000 0.894 347 S CB -1.304 62.003 63.200 0.178 0.000 1.519 347 S HN 0.800 nan 8.310 nan 0.000 0.470 348 F N -1.531 118.510 119.950 0.152 0.000 2.713 348 F HA 0.642 5.170 4.527 0.001 0.000 0.311 348 F C -1.227 174.639 175.800 0.110 0.000 1.141 348 F CA -1.199 56.870 58.000 0.116 0.000 0.939 348 F CB 0.896 39.956 39.000 0.101 0.000 1.325 348 F HN 0.156 nan 8.300 nan 0.000 0.453 349 E N 2.999 123.140 120.200 -0.098 0.000 2.109 349 E HA 0.370 4.721 4.350 0.001 0.000 0.278 349 E C -2.513 173.970 176.600 -0.194 0.000 0.954 349 E CA -1.932 54.323 56.400 -0.242 0.000 0.779 349 E CB 1.399 31.067 29.700 -0.053 0.000 1.093 349 E HN 0.318 nan 8.360 nan 0.000 0.401 350 P HA -0.042 nan 4.420 nan 0.000 0.268 350 P C -0.778 176.547 177.300 0.043 0.000 1.208 350 P CA 0.087 63.170 63.100 -0.027 0.000 0.777 350 P CB 0.707 32.383 31.700 -0.039 0.000 0.875 351 S N 1.490 117.256 115.700 0.110 0.000 2.594 351 S HA 0.714 5.185 4.470 0.001 0.000 0.296 351 S C -0.604 173.960 174.600 -0.060 0.000 1.124 351 S CA -0.776 57.432 58.200 0.013 0.000 1.011 351 S CB -0.065 63.153 63.200 0.031 0.000 1.016 351 S HN 0.351 nan 8.310 nan 0.000 0.485 352 I N 1.847 122.297 120.570 -0.200 0.000 2.569 352 I HA 0.685 4.855 4.170 0.001 0.000 0.296 352 I C -0.728 175.116 176.117 -0.455 0.000 1.028 352 I CA -0.855 60.157 61.300 -0.480 0.000 1.082 352 I CB 2.202 39.712 38.000 -0.818 0.000 1.264 352 I HN 0.508 nan 8.210 nan 0.000 0.429 353 D N 4.932 125.028 120.400 -0.507 0.000 2.894 353 D HA 0.254 4.895 4.640 0.001 0.000 0.273 353 D C -0.613 175.659 176.300 -0.047 0.000 1.328 353 D CA -0.155 53.734 54.000 -0.186 0.000 0.845 353 D CB -0.318 40.472 40.800 -0.016 0.000 1.072 353 D HN 0.756 nan 8.370 nan 0.000 0.484 354 Y N -3.448 116.854 120.300 0.003 0.000 2.764 354 Y HA 0.680 5.231 4.550 0.001 0.000 0.331 354 Y C -1.554 174.320 175.900 -0.042 0.000 1.280 354 Y CA -1.712 56.368 58.100 -0.035 0.000 1.065 354 Y CB 0.895 39.245 38.460 -0.183 0.000 1.319 354 Y HN -0.226 nan 8.280 nan 0.000 0.453 355 V N 2.148 122.212 119.914 0.249 0.000 2.448 355 V HA 0.563 4.684 4.120 0.001 0.000 0.295 355 V C -0.705 175.480 176.094 0.151 0.000 1.025 355 V CA -0.854 61.557 62.300 0.186 0.000 0.859 355 V CB 1.466 33.402 31.823 0.189 0.000 0.988 355 V HN 0.648 nan 8.190 nan 0.000 0.431 356 V N 3.894 123.893 119.914 0.142 0.000 2.394 356 V HA 0.560 4.681 4.120 0.001 0.000 0.282 356 V C 0.215 176.349 176.094 0.067 0.000 1.031 356 V CA -0.191 62.145 62.300 0.059 0.000 0.881 356 V CB 1.846 33.700 31.823 0.052 0.000 0.982 356 V HN 0.968 nan 8.190 nan 0.000 0.451 357 T N 5.121 119.696 114.554 0.034 0.000 2.841 357 T HA 0.449 4.800 4.350 0.001 0.000 0.283 357 T C -0.535 174.170 174.700 0.008 0.000 1.000 357 T CA -0.706 61.410 62.100 0.027 0.000 0.977 357 T CB 1.646 70.519 68.868 0.010 0.000 0.979 357 T HN 0.641 nan 8.240 nan 0.000 0.446 358 K N 3.847 124.245 120.400 -0.004 0.000 2.292 358 K HA 0.585 4.906 4.320 0.001 0.000 0.257 358 K C -1.405 175.168 176.600 -0.045 0.000 0.940 358 K CA -0.689 55.595 56.287 -0.006 0.000 0.811 358 K CB 1.071 33.578 32.500 0.012 0.000 1.120 358 K HN 0.617 nan 8.250 nan 0.000 0.428 359 I N 6.090 126.632 120.570 -0.047 0.000 2.466 359 I HA 0.325 4.495 4.170 0.001 0.000 0.289 359 I C -2.256 173.830 176.117 -0.051 0.000 1.026 359 I CA -2.541 58.719 61.300 -0.066 0.000 1.078 359 I CB 2.176 40.122 38.000 -0.091 0.000 1.249 359 I HN 0.461 nan 8.210 nan 0.000 0.429 360 P HA 0.239 nan 4.420 nan 0.000 0.274 360 P C -0.973 176.161 177.300 -0.276 0.000 1.237 360 P CA -0.568 62.404 63.100 -0.213 0.000 0.793 360 P CB 1.101 32.609 31.700 -0.318 0.000 0.977 361 R N 1.511 121.770 120.500 -0.403 0.000 2.494 361 R HA 0.617 4.958 4.340 0.001 0.000 0.305 361 R C -1.198 174.815 176.300 -0.478 0.000 0.959 361 R CA -0.540 55.411 56.100 -0.249 0.000 0.864 361 R CB -0.016 30.216 30.300 -0.114 0.000 1.159 361 R HN 0.300 nan 8.270 nan 0.000 0.446 362 F N 1.535 121.492 119.950 0.013 0.000 2.572 362 F HA 0.480 5.008 4.527 0.002 0.000 0.342 362 F C 0.697 176.436 175.800 -0.102 0.000 1.064 362 F CA -0.742 57.193 58.000 -0.109 0.000 1.008 362 F CB 1.837 40.749 39.000 -0.148 0.000 1.303 362 F HN 0.541 nan 8.300 nan 0.000 0.492 363 N N -0.245 118.453 118.700 -0.003 0.000 2.598 363 N HA 0.202 4.942 4.740 0.001 0.000 0.295 363 N C 0.205 175.754 175.510 0.065 0.000 1.729 363 N CA 0.006 53.080 53.050 0.040 0.000 0.877 363 N CB 0.234 38.779 38.487 0.097 0.000 1.405 363 N HN 0.357 nan 8.380 nan 0.000 0.491 364 F N 1.409 121.464 119.950 0.175 0.000 2.171 364 F HA -0.138 4.390 4.527 0.002 0.000 0.300 364 F C 2.053 177.863 175.800 0.017 0.000 1.090 364 F CA 1.210 59.265 58.000 0.091 0.000 1.293 364 F CB -0.139 38.881 39.000 0.034 0.000 1.013 364 F HN 0.218 nan 8.300 nan 0.000 0.486 365 E N 0.416 120.710 120.200 0.157 0.000 2.219 365 E HA -0.222 4.129 4.350 0.001 0.000 0.198 365 E C 1.566 178.104 176.600 -0.104 0.000 0.998 365 E CA 1.469 57.885 56.400 0.027 0.000 0.818 365 E CB -0.594 29.108 29.700 0.004 0.000 0.741 365 E HN 0.366 nan 8.360 nan 0.000 0.477 366 K N -0.146 120.097 120.400 -0.260 0.000 2.459 366 K HA 0.080 4.400 4.320 0.001 0.000 0.193 366 K C -0.196 175.835 176.600 -0.948 0.000 1.030 366 K CA 0.270 56.187 56.287 -0.617 0.000 1.026 366 K CB 0.248 32.239 32.500 -0.848 0.000 0.809 366 K HN 0.155 nan 8.250 nan 0.000 0.504 367 F N 0.374 120.272 119.950 -0.087 0.000 2.627 367 F HA 0.330 4.858 4.527 0.001 0.000 0.329 367 F C 1.325 177.102 175.800 -0.038 0.000 1.378 367 F CA -0.881 57.052 58.000 -0.112 0.000 1.134 367 F CB 0.113 38.851 39.000 -0.436 0.000 1.229 367 F HN -0.110 nan 8.300 nan 0.000 0.537 368 A N 1.137 123.989 122.820 0.054 0.000 1.883 368 A HA -0.322 3.998 4.320 0.001 0.000 0.232 368 A C 2.464 180.085 177.584 0.061 0.000 1.671 368 A CA 2.505 54.568 52.037 0.042 0.000 0.748 368 A CB -1.334 17.677 19.000 0.019 0.000 0.850 368 A HN 0.653 nan 8.150 nan 0.000 0.488 369 G N -1.302 107.547 108.800 0.082 0.000 3.026 369 G HA2 0.422 4.383 3.960 0.001 0.000 0.208 369 G HA3 0.422 4.383 3.960 0.001 0.000 0.208 369 G C 0.494 175.449 174.900 0.091 0.000 1.169 369 G CA 0.797 45.939 45.100 0.069 0.000 0.788 369 G HN 0.998 nan 8.290 nan 0.000 0.533 370 A N 0.503 123.399 122.820 0.127 0.000 2.371 370 A HA 0.425 4.746 4.320 0.001 0.000 0.257 370 A C 0.516 178.148 177.584 0.079 0.000 1.089 370 A CA -0.601 51.532 52.037 0.159 0.000 0.794 370 A CB 0.354 19.454 19.000 0.167 0.000 1.029 370 A HN 0.245 nan 8.150 nan 0.000 0.488 371 N N 1.217 119.977 118.700 0.099 0.000 2.468 371 N HA -0.009 4.732 4.740 0.001 0.000 0.265 371 N C -0.393 175.056 175.510 -0.103 0.000 1.199 371 N CA 0.263 53.315 53.050 0.004 0.000 0.928 371 N CB 0.866 39.379 38.487 0.043 0.000 1.059 371 N HN 0.598 nan 8.380 nan 0.000 0.467 372 D N 2.008 122.184 120.400 -0.374 0.000 2.388 372 D HA 0.074 4.715 4.640 0.001 0.000 0.221 372 D C -0.179 175.717 176.300 -0.673 0.000 1.133 372 D CA -0.176 53.230 54.000 -0.991 0.000 0.831 372 D CB 0.150 40.261 40.800 -1.148 0.000 0.962 372 D HN 0.201 nan 8.370 nan 0.000 0.502 373 R N 0.838 121.163 120.500 -0.291 0.000 2.357 373 R HA 0.397 4.737 4.340 0.001 0.000 0.296 373 R C 0.293 176.574 176.300 -0.031 0.000 1.052 373 R CA -0.621 55.383 56.100 -0.159 0.000 0.988 373 R CB 1.190 31.431 30.300 -0.098 0.000 1.025 373 R HN 0.193 nan 8.270 nan 0.000 0.469 374 L N 1.290 122.513 121.223 -0.000 0.000 2.380 374 L HA 0.307 4.648 4.340 0.001 0.000 0.273 374 L C 1.240 178.183 176.870 0.122 0.000 1.138 374 L CA 0.127 55.032 54.840 0.108 0.000 0.832 374 L CB 0.801 42.931 42.059 0.119 0.000 1.124 374 L HN 0.647 nan 8.230 nan 0.000 0.454 375 T N -1.238 113.409 114.554 0.155 0.000 2.587 375 T HA 0.166 4.516 4.350 0.001 0.000 0.282 375 T C 0.945 175.732 174.700 0.145 0.000 1.018 375 T CA 0.380 62.562 62.100 0.137 0.000 1.120 375 T CB 1.081 70.023 68.868 0.123 0.000 1.538 375 T HN 0.725 nan 8.240 nan 0.000 0.480 376 T N -0.440 114.183 114.554 0.116 0.000 3.085 376 T HA 0.168 4.519 4.350 0.001 0.000 0.263 376 T C 0.726 175.491 174.700 0.109 0.000 1.127 376 T CA 0.471 62.652 62.100 0.135 0.000 1.103 376 T CB -0.151 68.770 68.868 0.090 0.000 0.921 376 T HN 0.521 nan 8.240 nan 0.000 0.510 377 Q N 1.192 121.017 119.800 0.042 0.000 2.340 377 Q HA 0.408 4.748 4.340 0.001 0.000 0.259 377 Q C -0.626 175.336 176.000 -0.063 0.000 0.964 377 Q CA -0.575 55.197 55.803 -0.052 0.000 0.900 377 Q CB 0.877 29.580 28.738 -0.058 0.000 1.228 377 Q HN 0.416 nan 8.270 nan 0.000 0.449 378 M N 3.664 123.140 119.600 -0.207 0.000 2.248 378 M HA -0.055 4.426 4.480 0.001 0.000 0.343 378 M C 0.571 176.847 176.300 -0.039 0.000 1.243 378 M CA 1.258 56.485 55.300 -0.122 0.000 1.025 378 M CB 0.481 32.931 32.600 -0.251 0.000 1.759 378 M HN 0.573 nan 8.290 nan 0.000 0.452 379 K N 0.492 120.976 120.400 0.140 0.000 2.438 379 K HA 0.118 4.439 4.320 0.001 0.000 0.206 379 K C 0.138 176.843 176.600 0.176 0.000 1.081 379 K CA -0.082 56.339 56.287 0.223 0.000 1.053 379 K CB 0.734 33.558 32.500 0.539 0.000 0.908 379 K HN 0.770 nan 8.250 nan 0.000 0.556 380 S N 0.453 116.157 115.700 0.007 0.000 2.592 380 S HA 0.125 4.596 4.470 0.001 0.000 0.271 380 S C 1.036 175.510 174.600 -0.211 0.000 1.326 380 S CA -0.758 57.215 58.200 -0.378 0.000 1.024 380 S CB 1.553 64.317 63.200 -0.727 0.000 0.921 380 S HN 0.042 nan 8.310 nan 0.000 0.527 381 V N -1.478 118.304 119.914 -0.220 0.000 3.528 381 V HA 0.695 4.816 4.120 0.001 0.000 0.294 381 V C 0.711 176.742 176.094 -0.106 0.000 1.404 381 V CA 0.485 62.721 62.300 -0.107 0.000 1.065 381 V CB -0.721 31.080 31.823 -0.038 0.000 0.904 381 V HN 1.237 nan 8.190 nan 0.000 0.435 382 G N 0.457 109.160 108.800 -0.162 0.000 2.428 382 G HA2 0.610 4.571 3.960 0.001 0.000 0.304 382 G HA3 0.610 4.571 3.960 0.001 0.000 0.304 382 G C -1.729 173.085 174.900 -0.142 0.000 1.303 382 G CA -0.018 45.012 45.100 -0.117 0.000 0.825 382 G HN 0.725 nan 8.290 nan 0.000 0.484 383 E N -2.078 118.068 120.200 -0.090 0.000 2.401 383 E HA 0.598 4.949 4.350 0.001 0.000 0.280 383 E C -2.067 174.516 176.600 -0.029 0.000 1.039 383 E CA -0.953 55.404 56.400 -0.072 0.000 0.814 383 E CB 2.208 31.871 29.700 -0.062 0.000 1.275 383 E HN 0.916 nan 8.360 nan 0.000 0.448 384 V N 2.134 122.043 119.914 -0.008 0.000 2.864 384 V HA 0.747 4.868 4.120 0.001 0.000 0.314 384 V C -0.992 175.145 176.094 0.072 0.000 1.073 384 V CA -0.750 61.566 62.300 0.027 0.000 0.956 384 V CB 1.967 33.799 31.823 0.015 0.000 1.023 384 V HN 0.834 nan 8.190 nan 0.000 0.435 385 M N 4.864 124.569 119.600 0.175 0.000 2.572 385 M HA 0.885 5.366 4.480 0.001 0.000 0.299 385 M C -1.274 175.213 176.300 0.311 0.000 1.205 385 M CA -0.469 54.969 55.300 0.231 0.000 0.876 385 M CB 2.109 34.885 32.600 0.293 0.000 1.728 385 M HN 0.869 nan 8.290 nan 0.000 0.458 386 A N 3.960 126.874 122.820 0.157 0.000 2.539 386 A HA 0.858 5.179 4.320 0.001 0.000 0.296 386 A C -1.718 175.856 177.584 -0.016 0.000 1.073 386 A CA -0.742 51.379 52.037 0.140 0.000 0.700 386 A CB 1.577 20.629 19.000 0.086 0.000 1.296 386 A HN 0.852 nan 8.150 nan 0.000 0.405 387 I N 0.780 121.295 120.570 -0.093 0.000 2.509 387 I HA 0.702 4.873 4.170 0.001 0.000 0.293 387 I C 0.463 176.424 176.117 -0.261 0.000 1.020 387 I CA -0.569 60.506 61.300 -0.376 0.000 1.088 387 I CB 2.442 39.860 38.000 -0.969 0.000 1.267 387 I HN 0.838 nan 8.210 nan 0.000 0.430 388 G N 3.683 112.374 108.800 -0.182 0.000 2.690 388 G HA2 0.372 4.333 3.960 0.001 0.000 0.291 388 G HA3 0.372 4.333 3.960 0.001 0.000 0.291 388 G C 0.033 174.996 174.900 0.106 0.000 1.403 388 G CA -0.526 44.594 45.100 0.033 0.000 0.864 388 G HN 0.457 nan 8.290 nan 0.000 0.480 389 R N -0.783 119.848 120.500 0.217 0.000 2.189 389 R HA 0.040 4.381 4.340 0.001 0.000 0.218 389 R C 1.129 177.531 176.300 0.169 0.000 1.074 389 R CA 1.348 57.585 56.100 0.227 0.000 0.991 389 R CB -0.166 30.268 30.300 0.224 0.000 0.883 389 R HN 0.707 nan 8.270 nan 0.000 0.457 390 T N -3.939 110.702 114.554 0.144 0.000 2.916 390 T HA 0.211 4.562 4.350 0.001 0.000 0.292 390 T C 0.756 175.535 174.700 0.132 0.000 1.064 390 T CA -0.885 61.293 62.100 0.130 0.000 1.011 390 T CB 2.375 71.302 68.868 0.098 0.000 1.152 390 T HN -0.179 nan 8.240 nan 0.000 0.510 391 Q N 0.529 120.423 119.800 0.156 0.000 2.084 391 Q HA -0.132 4.209 4.340 0.001 0.000 0.202 391 Q C 2.191 178.254 176.000 0.104 0.000 0.978 391 Q CA 2.006 57.917 55.803 0.181 0.000 0.844 391 Q CB -0.482 28.401 28.738 0.243 0.000 0.898 391 Q HN 0.811 nan 8.270 nan 0.000 0.426 392 Q N -0.157 119.670 119.800 0.045 0.000 2.084 392 Q HA -0.206 4.135 4.340 0.001 0.000 0.202 392 Q C 2.023 178.025 176.000 0.003 0.000 0.978 392 Q CA 1.574 57.386 55.803 0.014 0.000 0.844 392 Q CB -0.161 28.563 28.738 -0.024 0.000 0.898 392 Q HN 0.595 nan 8.270 nan 0.000 0.426 393 E N 0.145 120.362 120.200 0.030 0.000 2.051 393 E HA -0.207 4.143 4.350 0.001 0.000 0.192 393 E C 2.077 178.701 176.600 0.040 0.000 0.991 393 E CA 1.309 57.732 56.400 0.038 0.000 0.799 393 E CB -0.088 29.666 29.700 0.089 0.000 0.748 393 E HN 0.151 nan 8.360 nan 0.000 0.449 394 S N -0.003 115.731 115.700 0.056 0.000 2.359 394 S HA -0.176 4.295 4.470 0.001 0.000 0.224 394 S C 1.992 176.600 174.600 0.013 0.000 1.035 394 S CA 1.279 59.505 58.200 0.043 0.000 1.018 394 S CB -0.375 62.865 63.200 0.067 0.000 0.876 394 S HN 0.379 nan 8.310 nan 0.000 0.448 395 L N 1.777 123.004 121.223 0.006 0.000 2.017 395 L HA -0.038 4.302 4.340 0.001 0.000 0.208 395 L C 2.446 179.244 176.870 -0.120 0.000 1.073 395 L CA 1.915 56.720 54.840 -0.058 0.000 0.745 395 L CB -0.890 41.157 42.059 -0.019 0.000 0.894 395 L HN 0.349 nan 8.230 nan 0.000 0.432 396 Q N -0.418 119.324 119.800 -0.097 0.000 2.124 396 Q HA -0.232 4.108 4.340 0.001 0.000 0.202 396 Q C 2.229 178.176 176.000 -0.089 0.000 0.977 396 Q CA 1.709 57.425 55.803 -0.146 0.000 0.850 396 Q CB -0.129 28.503 28.738 -0.176 0.000 0.901 396 Q HN 0.577 nan 8.270 nan 0.000 0.429 397 K N 0.418 120.800 120.400 -0.031 0.000 2.057 397 K HA -0.080 4.241 4.320 0.001 0.000 0.206 397 K C 2.113 178.716 176.600 0.004 0.000 1.050 397 K CA 1.019 57.316 56.287 0.015 0.000 0.935 397 K CB -0.117 32.423 32.500 0.066 0.000 0.715 397 K HN 0.113 nan 8.250 nan 0.000 0.439 398 A N 1.461 124.269 122.820 -0.020 0.000 1.902 398 A HA -0.150 4.171 4.320 0.001 0.000 0.217 398 A C 2.104 179.658 177.584 -0.049 0.000 1.181 398 A CA 1.254 53.277 52.037 -0.023 0.000 0.623 398 A CB -0.677 18.292 19.000 -0.051 0.000 0.818 398 A HN 0.155 nan 8.150 nan 0.000 0.443 399 L N -0.222 120.931 121.223 -0.117 0.000 2.012 399 L HA -0.257 4.083 4.340 0.001 0.000 0.210 399 L C 2.820 179.690 176.870 0.000 0.000 1.073 399 L CA 2.060 56.836 54.840 -0.106 0.000 0.748 399 L CB -0.551 41.339 42.059 -0.282 0.000 0.891 399 L HN 0.607 nan 8.230 nan 0.000 0.431 400 R N 0.208 120.702 120.500 -0.011 0.000 2.280 400 R HA -0.031 4.310 4.340 0.001 0.000 0.207 400 R C 1.641 177.955 176.300 0.023 0.000 1.043 400 R CA 1.142 57.253 56.100 0.019 0.000 1.006 400 R CB -0.461 29.853 30.300 0.022 0.000 0.885 400 R HN 0.285 nan 8.270 nan 0.000 0.467 401 G N 0.792 109.604 108.800 0.021 0.000 3.233 401 G HA2 0.016 3.977 3.960 0.001 0.000 0.234 401 G HA3 0.016 3.977 3.960 0.001 0.000 0.234 401 G C 0.939 175.848 174.900 0.015 0.000 1.137 401 G CA -0.410 44.700 45.100 0.018 0.000 0.763 401 G HN 0.214 nan 8.290 nan 0.000 0.549 402 L N 0.188 121.430 121.223 0.032 0.000 2.376 402 L HA 0.181 4.522 4.340 0.001 0.000 0.219 402 L C 1.060 177.953 176.870 0.039 0.000 1.133 402 L CA 0.801 55.670 54.840 0.049 0.000 0.816 402 L CB -0.096 42.028 42.059 0.107 0.000 0.933 402 L HN 0.170 nan 8.230 nan 0.000 0.449 403 E N -0.893 119.320 120.200 0.022 0.000 2.513 403 E HA -0.188 4.163 4.350 0.001 0.000 0.257 403 E C 0.864 177.465 176.600 0.002 0.000 1.098 403 E CA 0.944 57.344 56.400 0.001 0.000 0.752 403 E CB -2.151 27.540 29.700 -0.016 0.000 1.324 403 E HN 0.499 nan 8.360 nan 0.000 0.403 404 V N -4.427 115.495 119.914 0.013 0.000 3.528 404 V HA 0.576 4.697 4.120 0.001 0.000 0.294 404 V C 1.358 177.412 176.094 -0.067 0.000 1.404 404 V CA 1.118 63.409 62.300 -0.015 0.000 1.065 404 V CB 0.860 32.687 31.823 0.007 0.000 0.904 404 V HN 0.581 nan 8.190 nan 0.000 0.435 405 G N 0.252 109.025 108.800 -0.045 0.000 2.175 405 G HA2 -0.058 3.903 3.960 0.001 0.000 0.244 405 G HA3 -0.058 3.903 3.960 0.001 0.000 0.244 405 G C 0.408 175.268 174.900 -0.067 0.000 0.982 405 G CA 0.172 45.235 45.100 -0.061 0.000 0.641 405 G HN 1.646 nan 8.290 nan 0.000 0.527 406 A N 0.240 123.032 122.820 -0.046 0.000 2.371 406 A HA 0.741 5.062 4.320 0.001 0.000 0.257 406 A C 1.375 178.984 177.584 0.041 0.000 1.089 406 A CA 1.297 53.335 52.037 0.002 0.000 0.794 406 A CB 0.537 19.640 19.000 0.172 0.000 1.029 406 A HN 1.493 nan 8.150 nan 0.000 0.488 407 T N -1.276 113.311 114.554 0.055 0.000 3.040 407 T HA 0.550 4.901 4.350 0.001 0.000 0.266 407 T C 0.803 175.542 174.700 0.065 0.000 1.005 407 T CA 0.885 63.019 62.100 0.056 0.000 0.906 407 T CB -0.107 68.796 68.868 0.059 0.000 1.082 407 T HN 2.163 nan 8.240 nan 0.000 0.531 408 G N 1.294 110.135 108.800 0.067 0.000 2.480 408 G HA2 0.230 4.190 3.960 0.001 0.000 0.109 408 G HA3 0.230 4.190 3.960 0.001 0.000 0.109 408 G C -1.436 173.470 174.900 0.010 0.000 1.172 408 G CA -0.898 44.188 45.100 -0.024 0.000 1.091 408 G HN 0.148 nan 8.290 nan 0.000 0.464 409 F N 3.629 123.692 119.950 0.189 0.000 2.669 409 F HA 0.292 4.820 4.527 0.001 0.000 0.353 409 F C 0.408 176.375 175.800 0.278 0.000 1.192 409 F CA -0.465 57.694 58.000 0.264 0.000 1.317 409 F CB 0.083 39.173 39.000 0.151 0.000 1.652 409 F HN 0.062 nan 8.300 nan 0.000 0.608 410 D N 3.203 123.823 120.400 0.367 0.000 2.414 410 D HA 0.076 4.716 4.640 0.001 0.000 0.242 410 D C -2.130 174.251 176.300 0.135 0.000 1.129 410 D CA -0.951 53.151 54.000 0.169 0.000 0.885 410 D CB 0.720 41.531 40.800 0.017 0.000 1.198 410 D HN 0.115 nan 8.370 nan 0.000 0.437 411 P HA 0.120 nan 4.420 nan 0.000 0.272 411 P C 0.137 177.379 177.300 -0.096 0.000 1.223 411 P CA -0.237 62.873 63.100 0.017 0.000 0.784 411 P CB 1.253 32.966 31.700 0.023 0.000 0.923 412 K N 0.626 120.913 120.400 -0.189 0.000 2.350 412 K HA 0.129 4.450 4.320 0.001 0.000 0.196 412 K C 0.420 176.943 176.600 -0.129 0.000 1.084 412 K CA 0.382 56.497 56.287 -0.287 0.000 0.967 412 K CB 0.425 32.500 32.500 -0.708 0.000 0.950 412 K HN 0.419 nan 8.250 nan 0.000 0.512 413 V N -1.066 118.807 119.914 -0.069 0.000 2.960 413 V HA 0.523 4.644 4.120 0.001 0.000 0.315 413 V C -0.241 175.863 176.094 0.016 0.000 1.087 413 V CA -1.216 61.096 62.300 0.021 0.000 0.982 413 V CB 1.618 33.495 31.823 0.090 0.000 1.039 413 V HN 0.049 nan 8.190 nan 0.000 0.437 414 S N 2.091 117.806 115.700 0.024 0.000 2.584 414 S HA 0.432 4.903 4.470 0.001 0.000 0.273 414 S C 0.862 175.479 174.600 0.029 0.000 1.311 414 S CA -0.578 57.635 58.200 0.022 0.000 1.034 414 S CB 0.831 64.041 63.200 0.017 0.000 0.939 414 S HN 0.773 nan 8.310 nan 0.000 0.513 415 L N 2.063 123.303 121.223 0.029 0.000 2.131 415 L HA -0.092 4.249 4.340 0.001 0.000 0.210 415 L C 1.411 178.297 176.870 0.028 0.000 1.092 415 L CA 1.725 56.583 54.840 0.031 0.000 0.759 415 L CB -0.551 41.527 42.059 0.032 0.000 0.903 415 L HN 0.800 nan 8.230 nan 0.000 0.435 416 D N -2.400 118.014 120.400 0.023 0.000 2.328 416 D HA -0.042 4.598 4.640 0.001 0.000 0.221 416 D C 0.364 176.675 176.300 0.019 0.000 1.072 416 D CA -0.196 53.816 54.000 0.020 0.000 0.850 416 D CB -0.180 40.630 40.800 0.016 0.000 0.922 416 D HN 0.098 nan 8.370 nan 0.000 0.516 417 D N 1.127 121.540 120.400 0.023 0.000 2.325 417 D HA 0.075 4.716 4.640 0.001 0.000 0.251 417 D C -1.479 174.835 176.300 0.023 0.000 1.196 417 D CA -2.339 51.674 54.000 0.023 0.000 0.866 417 D CB 1.572 42.388 40.800 0.027 0.000 1.101 417 D HN -0.134 nan 8.370 nan 0.000 0.476 418 P HA -0.042 nan 4.420 nan 0.000 0.226 418 P C 0.614 177.924 177.300 0.016 0.000 1.153 418 P CA 0.758 63.868 63.100 0.016 0.000 0.777 418 P CB 0.344 32.051 31.700 0.012 0.000 0.794 419 E N -0.948 119.262 120.200 0.017 0.000 2.474 419 E HA 0.141 4.491 4.350 0.001 0.000 0.195 419 E C 1.827 178.441 176.600 0.024 0.000 1.039 419 E CA 0.000 56.410 56.400 0.015 0.000 0.881 419 E CB -0.055 29.652 29.700 0.011 0.000 0.970 419 E HN 0.080 nan 8.360 nan 0.000 0.486 420 A N 1.455 124.296 122.820 0.035 0.000 1.884 420 A HA -0.232 4.089 4.320 0.001 0.000 0.219 420 A C 2.094 179.709 177.584 0.052 0.000 1.197 420 A CA 1.247 53.316 52.037 0.053 0.000 0.637 420 A CB -0.789 18.243 19.000 0.053 0.000 0.827 420 A HN 0.260 nan 8.150 nan 0.000 0.450 421 L N -0.859 120.386 121.223 0.036 0.000 2.189 421 L HA -0.190 4.150 4.340 0.001 0.000 0.214 421 L C 2.687 179.564 176.870 0.013 0.000 1.097 421 L CA 1.667 56.523 54.840 0.027 0.000 0.764 421 L CB -0.588 41.483 42.059 0.020 0.000 0.900 421 L HN 0.429 nan 8.230 nan 0.000 0.436 422 T N -0.586 113.972 114.554 0.007 0.000 2.851 422 T HA -0.109 4.242 4.350 0.001 0.000 0.262 422 T C 1.829 176.511 174.700 -0.030 0.000 1.043 422 T CA 1.049 63.142 62.100 -0.012 0.000 1.140 422 T CB 0.085 68.946 68.868 -0.011 0.000 0.872 422 T HN 0.379 nan 8.240 nan 0.000 0.446 423 K N 1.036 121.426 120.400 -0.016 0.000 2.025 423 K HA 0.051 4.371 4.320 0.001 0.000 0.207 423 K C 2.180 178.711 176.600 -0.114 0.000 1.049 423 K CA 1.103 57.356 56.287 -0.057 0.000 0.933 423 K CB -0.412 32.095 32.500 0.012 0.000 0.714 423 K HN 0.269 nan 8.250 nan 0.000 0.438 424 I N 1.447 122.022 120.570 0.009 0.000 2.091 424 I HA -0.323 3.847 4.170 0.001 0.000 0.239 424 I C 2.910 179.005 176.117 -0.038 0.000 1.061 424 I CA 1.414 62.747 61.300 0.056 0.000 1.317 424 I CB -0.312 37.751 38.000 0.106 0.000 1.031 424 I HN 0.213 nan 8.210 nan 0.000 0.401 425 R N 0.753 121.232 120.500 -0.034 0.000 2.127 425 R HA -0.216 4.125 4.340 0.001 0.000 0.238 425 R C 2.533 178.783 176.300 -0.083 0.000 1.134 425 R CA 1.336 57.407 56.100 -0.049 0.000 0.975 425 R CB -0.222 30.058 30.300 -0.034 0.000 0.865 425 R HN 0.232 nan 8.270 nan 0.000 0.447 426 R N 0.820 121.252 120.500 -0.113 0.000 2.066 426 R HA -0.091 4.250 4.340 0.001 0.000 0.232 426 R C 1.489 177.680 176.300 -0.182 0.000 1.131 426 R CA 1.421 57.438 56.100 -0.139 0.000 0.955 426 R CB -0.192 30.018 30.300 -0.149 0.000 0.851 426 R HN 0.229 nan 8.270 nan 0.000 0.432 427 E N 0.587 120.621 120.200 -0.276 0.000 2.338 427 E HA -0.129 4.221 4.350 0.001 0.000 0.197 427 E C 1.784 178.288 176.600 -0.160 0.000 1.007 427 E CA 0.556 56.748 56.400 -0.346 0.000 0.849 427 E CB 0.042 29.235 29.700 -0.844 0.000 0.774 427 E HN 0.189 nan 8.360 nan 0.000 0.506 428 L N 0.396 121.556 121.223 -0.105 0.000 2.221 428 L HA 0.041 4.381 4.340 0.001 0.000 0.202 428 L C 2.272 179.105 176.870 -0.062 0.000 1.074 428 L CA 1.179 55.988 54.840 -0.052 0.000 0.795 428 L CB -0.289 41.741 42.059 -0.047 0.000 0.960 428 L HN -0.076 nan 8.230 nan 0.000 0.458 429 K N -0.613 119.741 120.400 -0.076 0.000 2.097 429 K HA -0.063 4.257 4.320 0.001 0.000 0.205 429 K C -0.395 176.161 176.600 -0.073 0.000 1.050 429 K CA 1.129 57.373 56.287 -0.073 0.000 0.938 429 K CB 0.250 32.706 32.500 -0.074 0.000 0.718 429 K HN 0.230 nan 8.250 nan 0.000 0.442 430 D N 0.849 121.195 120.400 -0.090 0.000 2.375 430 D HA 0.151 4.792 4.640 0.001 0.000 0.259 430 D C -1.265 174.980 176.300 -0.091 0.000 1.235 430 D CA -0.178 53.768 54.000 -0.090 0.000 0.924 430 D CB 1.462 42.190 40.800 -0.120 0.000 1.143 430 D HN 0.219 nan 8.370 nan 0.000 0.529 431 A N 1.633 124.421 122.820 -0.052 0.000 2.566 431 A HA 0.474 4.794 4.320 0.001 0.000 0.245 431 A C 0.870 178.413 177.584 -0.069 0.000 1.056 431 A CA 0.458 52.475 52.037 -0.033 0.000 0.757 431 A CB 0.429 19.440 19.000 0.019 0.000 0.979 431 A HN 0.535 nan 8.150 nan 0.000 0.508 432 G N -0.239 108.507 108.800 -0.088 0.000 3.108 432 G HA2 0.568 4.529 3.960 0.001 0.000 0.268 432 G HA3 0.568 4.529 3.960 0.001 0.000 0.268 432 G C 0.914 175.735 174.900 -0.132 0.000 1.361 432 G CA 0.086 45.084 45.100 -0.170 0.000 1.047 432 G HN 1.299 nan 8.290 nan 0.000 0.540 433 A N -0.845 121.850 122.820 -0.208 0.000 2.070 433 A HA 0.050 4.371 4.320 0.001 0.000 0.220 433 A C 1.536 179.286 177.584 0.277 0.000 1.159 433 A CA 1.947 53.871 52.037 -0.188 0.000 0.656 433 A CB -0.172 18.736 19.000 -0.153 0.000 0.800 433 A HN 0.398 nan 8.150 nan 0.000 0.453 434 D N -1.284 119.328 120.400 0.354 0.000 2.339 434 D HA 0.038 4.679 4.640 0.001 0.000 0.217 434 D C 1.729 178.445 176.300 0.693 0.000 1.050 434 D CA 0.105 54.522 54.000 0.695 0.000 0.856 434 D CB -0.180 40.992 40.800 0.619 0.000 0.922 434 D HN 0.521 nan 8.370 nan 0.000 0.518 435 R N 0.776 121.504 120.500 0.381 0.000 2.140 435 R HA -0.220 4.121 4.340 0.001 0.000 0.250 435 R C 2.023 178.484 176.300 0.267 0.000 1.150 435 R CA 1.210 57.492 56.100 0.303 0.000 0.966 435 R CB -0.415 29.982 30.300 0.161 0.000 0.869 435 R HN 0.106 nan 8.270 nan 0.000 0.445 436 I N 0.248 120.855 120.570 0.062 0.000 2.248 436 I HA -0.287 3.884 4.170 0.001 0.000 0.248 436 I C 1.577 177.700 176.117 0.010 0.000 1.107 436 I CA 1.519 62.747 61.300 -0.120 0.000 1.373 436 I CB -0.227 37.429 38.000 -0.572 0.000 1.055 436 I HN 0.331 nan 8.210 nan 0.000 0.418 437 W N -0.861 120.570 121.300 0.217 0.000 2.476 437 W HA -0.129 4.531 4.660 0.001 0.000 0.281 437 W C 2.497 179.027 176.519 0.018 0.000 1.230 437 W CA 0.647 58.078 57.345 0.143 0.000 1.287 437 W CB -1.234 28.198 29.460 -0.046 0.000 1.108 437 W HN 0.207 nan 8.180 nan 0.000 0.567 438 Y N 0.622 121.101 120.300 0.298 0.000 2.274 438 Y HA -0.184 4.367 4.550 0.001 0.000 0.290 438 Y C 2.458 178.378 175.900 0.035 0.000 1.145 438 Y CA 1.252 59.438 58.100 0.144 0.000 1.203 438 Y CB -0.825 37.695 38.460 0.100 0.000 0.984 438 Y HN -0.198 nan 8.280 nan 0.000 0.533 439 I N -0.536 120.120 120.570 0.143 0.000 2.163 439 I HA -0.368 3.802 4.170 0.001 0.000 0.243 439 I C 2.575 178.541 176.117 -0.252 0.000 1.085 439 I CA 1.337 62.590 61.300 -0.077 0.000 1.347 439 I CB -0.614 37.405 38.000 0.032 0.000 1.044 439 I HN 0.204 nan 8.210 nan 0.000 0.408 440 A N 0.172 122.955 122.820 -0.061 0.000 1.930 440 A HA -0.209 4.111 4.320 0.001 0.000 0.217 440 A C 1.947 179.545 177.584 0.024 0.000 1.175 440 A CA 1.764 53.784 52.037 -0.029 0.000 0.627 440 A CB -0.517 18.407 19.000 -0.127 0.000 0.815 440 A HN 0.322 nan 8.150 nan 0.000 0.443 441 D N 0.185 120.605 120.400 0.034 0.000 2.182 441 D HA -0.073 4.568 4.640 0.001 0.000 0.201 441 D C 2.179 178.484 176.300 0.009 0.000 0.986 441 D CA 1.383 55.405 54.000 0.037 0.000 0.847 441 D CB -0.281 40.533 40.800 0.024 0.000 0.942 441 D HN 0.427 nan 8.370 nan 0.000 0.467 442 A N 0.151 122.919 122.820 -0.086 0.000 1.898 442 A HA -0.149 4.171 4.320 0.001 0.000 0.216 442 A C 1.943 179.455 177.584 -0.120 0.000 1.181 442 A CA 0.939 52.886 52.037 -0.151 0.000 0.620 442 A CB -0.854 17.959 19.000 -0.312 0.000 0.819 442 A HN 0.131 nan 8.150 nan 0.000 0.442 443 F N -0.076 119.893 119.950 0.031 0.000 2.186 443 F HA -0.039 4.488 4.527 0.001 0.000 0.299 443 F C 2.457 178.268 175.800 0.018 0.000 1.090 443 F CA 1.209 59.217 58.000 0.014 0.000 1.307 443 F CB -0.581 38.410 39.000 -0.015 0.000 1.019 443 F HN 0.106 nan 8.300 nan 0.000 0.489 444 R N -0.060 120.547 120.500 0.178 0.000 2.120 444 R HA -0.060 4.280 4.340 0.001 0.000 0.234 444 R C 2.077 178.431 176.300 0.091 0.000 1.123 444 R CA 1.169 57.341 56.100 0.121 0.000 0.975 444 R CB -0.570 29.786 30.300 0.093 0.000 0.866 444 R HN 0.231 nan 8.270 nan 0.000 0.446 445 A N -0.573 122.293 122.820 0.076 0.000 2.251 445 A HA 0.269 4.590 4.320 0.001 0.000 0.209 445 A C 1.310 178.932 177.584 0.063 0.000 1.187 445 A CA 0.770 52.842 52.037 0.059 0.000 0.823 445 A CB 0.149 19.177 19.000 0.046 0.000 0.846 445 A HN 0.460 nan 8.150 nan 0.000 0.486 446 G N -1.415 107.438 108.800 0.087 0.000 2.218 446 G HA2 -0.170 3.791 3.960 0.001 0.000 0.216 446 G HA3 -0.170 3.791 3.960 0.001 0.000 0.216 446 G C 0.128 175.087 174.900 0.098 0.000 0.994 446 G CA -0.059 45.091 45.100 0.084 0.000 0.637 446 G HN 0.357 nan 8.290 nan 0.000 0.505 447 L N 2.481 123.763 121.223 0.097 0.000 2.456 447 L HA 0.496 4.837 4.340 0.001 0.000 0.272 447 L C 1.465 178.462 176.870 0.211 0.000 1.189 447 L CA 0.297 55.196 54.840 0.097 0.000 0.846 447 L CB 1.157 43.226 42.059 0.016 0.000 1.111 447 L HN 0.465 nan 8.230 nan 0.000 0.475 448 S N 1.638 117.446 115.700 0.179 0.000 2.652 448 S HA 0.237 4.708 4.470 0.001 0.000 0.270 448 S C 1.101 175.887 174.600 0.310 0.000 1.243 448 S CA -0.943 57.386 58.200 0.214 0.000 0.999 448 S CB 1.651 64.927 63.200 0.126 0.000 0.973 448 S HN 0.335 nan 8.310 nan 0.000 0.544 449 V N 1.502 121.598 119.914 0.303 0.000 2.282 449 V HA -0.192 3.929 4.120 0.001 0.000 0.249 449 V C 2.212 178.467 176.094 0.267 0.000 1.057 449 V CA 2.461 64.961 62.300 0.334 0.000 1.032 449 V CB -0.976 30.927 31.823 0.133 0.000 0.645 449 V HN 0.887 nan 8.190 nan 0.000 0.447 450 D N 0.248 120.754 120.400 0.177 0.000 2.144 450 D HA -0.113 4.527 4.640 0.001 0.000 0.199 450 D C 2.158 178.584 176.300 0.210 0.000 0.984 450 D CA 1.551 55.654 54.000 0.172 0.000 0.834 450 D CB -0.634 40.224 40.800 0.097 0.000 0.955 450 D HN 0.485 nan 8.370 nan 0.000 0.465 451 G N 0.620 109.517 108.800 0.161 0.000 2.421 451 G HA2 -0.214 3.747 3.960 0.001 0.000 0.216 451 G HA3 -0.214 3.747 3.960 0.001 0.000 0.216 451 G C 1.862 176.824 174.900 0.102 0.000 1.171 451 G CA 0.913 46.083 45.100 0.116 0.000 0.775 451 G HN 0.251 nan 8.290 nan 0.000 0.543 452 V N 0.462 120.443 119.914 0.112 0.000 2.343 452 V HA -0.144 3.977 4.120 0.001 0.000 0.247 452 V C 2.331 178.478 176.094 0.089 0.000 1.051 452 V CA 1.848 64.178 62.300 0.051 0.000 1.036 452 V CB -0.685 31.119 31.823 -0.030 0.000 0.654 452 V HN 0.390 nan 8.190 nan 0.000 0.451 453 F N 1.889 121.876 119.950 0.061 0.000 2.095 453 F HA -0.215 4.312 4.527 0.001 0.000 0.298 453 F C 2.374 178.197 175.800 0.039 0.000 1.104 453 F CA 2.023 60.055 58.000 0.053 0.000 1.232 453 F CB -0.304 38.734 39.000 0.064 0.000 0.987 453 F HN 0.185 nan 8.300 nan 0.000 0.475 454 N N 0.793 119.553 118.700 0.101 0.000 2.149 454 N HA -0.169 4.572 4.740 0.001 0.000 0.188 454 N C 1.901 177.349 175.510 -0.104 0.000 1.019 454 N CA 1.727 54.785 53.050 0.013 0.000 0.857 454 N CB -0.510 38.055 38.487 0.131 0.000 0.997 454 N HN 0.387 nan 8.380 nan 0.000 0.426 455 L N 0.011 121.183 121.223 -0.085 0.000 2.209 455 L HA -0.001 4.340 4.340 0.001 0.000 0.207 455 L C 2.190 178.985 176.870 -0.124 0.000 1.094 455 L CA 1.235 56.024 54.840 -0.085 0.000 0.790 455 L CB -0.334 41.691 42.059 -0.057 0.000 0.932 455 L HN 0.273 nan 8.230 nan 0.000 0.447 456 T N -5.435 109.013 114.554 -0.176 0.000 3.015 456 T HA 0.110 4.461 4.350 0.001 0.000 0.250 456 T C 0.834 175.372 174.700 -0.270 0.000 1.057 456 T CA 0.410 62.405 62.100 -0.176 0.000 1.066 456 T CB -0.093 68.699 68.868 -0.127 0.000 0.959 456 T HN 0.296 nan 8.240 nan 0.000 0.488 457 N N 0.516 118.888 118.700 -0.547 0.000 2.753 457 N HA -0.119 4.622 4.740 0.001 0.000 0.251 457 N C -0.841 174.458 175.510 -0.351 0.000 1.097 457 N CA 0.577 53.211 53.050 -0.692 0.000 0.786 457 N CB -1.753 36.542 38.487 -0.320 0.000 1.137 457 N HN 0.574 nan 8.380 nan 0.000 0.566 458 I N 0.960 121.384 120.570 -0.244 0.000 2.352 458 I HA 0.039 4.210 4.170 0.001 0.000 0.290 458 I C 0.855 177.102 176.117 0.216 0.000 1.036 458 I CA -0.286 60.925 61.300 -0.149 0.000 1.336 458 I CB 0.471 38.219 38.000 -0.419 0.000 1.407 458 I HN 0.147 nan 8.210 nan 0.000 0.497 459 D N 6.076 126.686 120.400 0.351 0.000 2.571 459 D HA -0.087 4.554 4.640 0.001 0.000 0.231 459 D C 1.153 177.676 176.300 0.372 0.000 1.133 459 D CA 0.474 54.732 54.000 0.429 0.000 0.862 459 D CB 0.837 41.843 40.800 0.344 0.000 1.179 459 D HN 0.496 nan 8.370 nan 0.000 0.474 460 R N 2.721 123.366 120.500 0.241 0.000 2.193 460 R HA -0.178 4.163 4.340 0.001 0.000 0.229 460 R C 1.892 178.264 176.300 0.119 0.000 1.110 460 R CA 0.936 57.132 56.100 0.160 0.000 0.988 460 R CB -0.085 30.223 30.300 0.013 0.000 0.871 460 R HN 0.647 nan 8.270 nan 0.000 0.458 461 W N 0.634 121.891 121.300 -0.072 0.000 2.342 461 W HA -0.191 4.470 4.660 0.001 0.000 0.297 461 W C 1.131 177.554 176.519 -0.159 0.000 1.213 461 W CA 1.478 58.709 57.345 -0.191 0.000 1.251 461 W CB -0.149 29.105 29.460 -0.344 0.000 1.136 461 W HN -0.046 nan 8.180 nan 0.000 0.526 462 F N -0.319 119.753 119.950 0.202 0.000 2.179 462 F HA -0.044 4.484 4.527 0.001 0.000 0.292 462 F C 2.289 178.143 175.800 0.091 0.000 1.089 462 F CA 1.212 59.298 58.000 0.143 0.000 1.295 462 F CB -1.295 37.880 39.000 0.292 0.000 1.041 462 F HN -0.263 nan 8.300 nan 0.000 0.487 463 L N 0.378 121.796 121.223 0.325 0.000 1.990 463 L HA -0.232 4.109 4.340 0.001 0.000 0.213 463 L C 2.639 179.557 176.870 0.080 0.000 1.072 463 L CA 1.769 56.790 54.840 0.302 0.000 0.755 463 L CB -1.311 40.967 42.059 0.364 0.000 0.889 463 L HN 0.189 nan 8.230 nan 0.000 0.432 464 V N -2.720 117.164 119.914 -0.050 0.000 2.568 464 V HA -0.291 3.830 4.120 0.001 0.000 0.253 464 V C 2.119 178.068 176.094 -0.242 0.000 1.072 464 V CA 1.639 63.818 62.300 -0.202 0.000 1.084 464 V CB -0.819 30.894 31.823 -0.183 0.000 0.676 464 V HN 0.531 nan 8.190 nan 0.000 0.469 465 Q N -0.098 119.582 119.800 -0.199 0.000 2.172 465 Q HA 0.106 4.446 4.340 0.001 0.000 0.200 465 Q C 2.258 178.180 176.000 -0.130 0.000 0.964 465 Q CA 1.770 57.461 55.803 -0.187 0.000 0.855 465 Q CB -0.107 28.495 28.738 -0.227 0.000 0.918 465 Q HN 0.695 nan 8.270 nan 0.000 0.444 466 I N 0.377 120.892 120.570 -0.091 0.000 2.333 466 I HA -0.199 3.971 4.170 0.001 0.000 0.246 466 I C 2.408 178.378 176.117 -0.244 0.000 1.106 466 I CA 0.855 62.062 61.300 -0.155 0.000 1.411 466 I CB -0.210 37.788 38.000 -0.004 0.000 1.082 466 I HN 0.249 nan 8.210 nan 0.000 0.420 467 E N 1.513 121.400 120.200 -0.522 0.000 2.085 467 E HA -0.325 4.025 4.350 0.001 0.000 0.194 467 E C 2.098 178.488 176.600 -0.350 0.000 0.994 467 E CA 1.740 57.633 56.400 -0.845 0.000 0.801 467 E CB -0.047 28.821 29.700 -1.387 0.000 0.743 467 E HN 0.479 nan 8.360 nan 0.000 0.453 468 E N 0.395 120.445 120.200 -0.251 0.000 2.085 468 E HA -0.214 4.137 4.350 0.001 0.000 0.194 468 E C 2.265 178.859 176.600 -0.009 0.000 0.994 468 E CA 1.116 57.446 56.400 -0.116 0.000 0.801 468 E CB -0.134 29.505 29.700 -0.102 0.000 0.743 468 E HN 0.365 nan 8.360 nan 0.000 0.453 469 L N 0.429 121.651 121.223 -0.003 0.000 2.083 469 L HA -0.171 4.170 4.340 0.001 0.000 0.209 469 L C 2.597 179.600 176.870 0.221 0.000 1.083 469 L CA 0.750 55.681 54.840 0.151 0.000 0.752 469 L CB -0.425 41.633 42.059 -0.001 0.000 0.899 469 L HN 0.124 nan 8.230 nan 0.000 0.433 470 V N -0.229 119.721 119.914 0.060 0.000 2.295 470 V HA -0.242 3.879 4.120 0.001 0.000 0.246 470 V C 2.736 178.878 176.094 0.080 0.000 1.049 470 V CA 1.571 63.920 62.300 0.082 0.000 1.024 470 V CB -0.582 31.286 31.823 0.075 0.000 0.648 470 V HN 0.429 nan 8.190 nan 0.000 0.447 471 R N -0.226 120.297 120.500 0.037 0.000 2.081 471 R HA -0.074 4.267 4.340 0.001 0.000 0.235 471 R C 2.218 178.555 176.300 0.062 0.000 1.131 471 R CA 1.314 57.433 56.100 0.032 0.000 0.960 471 R CB -0.945 29.351 30.300 -0.006 0.000 0.856 471 R HN 0.435 nan 8.270 nan 0.000 0.436 472 L N 0.874 122.160 121.223 0.103 0.000 2.083 472 L HA -0.153 4.188 4.340 0.001 0.000 0.209 472 L C 2.413 179.313 176.870 0.050 0.000 1.083 472 L CA 1.322 56.234 54.840 0.121 0.000 0.752 472 L CB -0.360 41.814 42.059 0.192 0.000 0.899 472 L HN 0.238 nan 8.230 nan 0.000 0.433 473 E N 0.012 120.251 120.200 0.065 0.000 2.077 473 E HA -0.240 4.111 4.350 0.001 0.000 0.193 473 E C 2.011 178.629 176.600 0.031 0.000 0.989 473 E CA 1.248 57.656 56.400 0.014 0.000 0.800 473 E CB -0.045 29.740 29.700 0.142 0.000 0.746 473 E HN 0.571 nan 8.360 nan 0.000 0.452 474 E N 0.835 121.067 120.200 0.054 0.000 2.153 474 E HA -0.207 4.144 4.350 0.001 0.000 0.194 474 E C 2.073 178.696 176.600 0.039 0.000 0.988 474 E CA 0.877 57.304 56.400 0.044 0.000 0.811 474 E CB -0.061 29.664 29.700 0.041 0.000 0.746 474 E HN 0.111 nan 8.360 nan 0.000 0.466 475 K N 1.176 121.607 120.400 0.053 0.000 2.062 475 K HA -0.106 4.215 4.320 0.001 0.000 0.205 475 K C 2.107 178.774 176.600 0.110 0.000 1.051 475 K CA 0.894 57.210 56.287 0.050 0.000 0.941 475 K CB 0.091 32.601 32.500 0.018 0.000 0.719 475 K HN -0.053 nan 8.250 nan 0.000 0.440 476 V N 1.848 121.852 119.914 0.149 0.000 2.255 476 V HA -0.285 3.836 4.120 0.001 0.000 0.247 476 V C 2.562 178.691 176.094 0.058 0.000 1.051 476 V CA 2.090 64.461 62.300 0.119 0.000 1.018 476 V CB -0.942 30.839 31.823 -0.070 0.000 0.641 476 V HN 0.535 nan 8.190 nan 0.000 0.445 477 A N -0.676 122.162 122.820 0.030 0.000 1.917 477 A HA -0.334 3.987 4.320 0.001 0.000 0.219 477 A C 2.311 179.910 177.584 0.026 0.000 1.182 477 A CA 2.378 54.430 52.037 0.024 0.000 0.633 477 A CB -0.554 18.462 19.000 0.026 0.000 0.819 477 A HN 0.662 nan 8.150 nan 0.000 0.448 478 E N -0.321 119.896 120.200 0.027 0.000 2.072 478 E HA -0.108 4.243 4.350 0.001 0.000 0.190 478 E C 1.914 178.524 176.600 0.017 0.000 0.982 478 E CA 1.537 57.946 56.400 0.016 0.000 0.803 478 E CB -0.080 29.623 29.700 0.004 0.000 0.755 478 E HN 0.577 nan 8.360 nan 0.000 0.453 479 V N -2.173 117.760 119.914 0.032 0.000 3.235 479 V HA 0.286 4.407 4.120 0.001 0.000 0.259 479 V C 0.995 177.116 176.094 0.046 0.000 1.133 479 V CA 0.617 62.937 62.300 0.032 0.000 1.128 479 V CB -0.673 31.167 31.823 0.027 0.000 0.757 479 V HN 0.345 nan 8.190 nan 0.000 0.469 480 G N 0.322 109.151 108.800 0.048 0.000 2.877 480 G HA2 -0.315 3.646 3.960 0.001 0.000 0.279 480 G HA3 -0.315 3.646 3.960 0.001 0.000 0.279 480 G C 0.355 175.282 174.900 0.045 0.000 1.431 480 G CA 0.179 45.300 45.100 0.034 0.000 0.883 480 G HN 0.744 nan 8.290 nan 0.000 0.547 481 I N 0.476 121.062 120.570 0.026 0.000 2.315 481 I HA -0.196 3.974 4.170 0.001 0.000 0.251 481 I C 3.006 179.151 176.117 0.046 0.000 1.125 481 I CA 3.025 64.339 61.300 0.023 0.000 1.392 481 I CB -0.123 37.877 38.000 0.001 0.000 1.065 481 I HN 0.964 nan 8.210 nan 0.000 0.424 482 T N -2.530 112.050 114.554 0.044 0.000 2.915 482 T HA -0.027 4.323 4.350 0.001 0.000 0.269 482 T C 1.840 176.586 174.700 0.076 0.000 1.071 482 T CA 0.874 63.006 62.100 0.053 0.000 1.132 482 T CB -0.915 67.974 68.868 0.035 0.000 0.878 482 T HN 0.429 nan 8.240 nan 0.000 0.479 483 G N 1.100 109.950 108.800 0.084 0.000 2.744 483 G HA2 0.220 4.181 3.960 0.001 0.000 0.211 483 G HA3 0.220 4.181 3.960 0.001 0.000 0.211 483 G C 0.742 175.776 174.900 0.224 0.000 1.143 483 G CA -0.298 44.868 45.100 0.111 0.000 0.788 483 G HN 0.563 nan 8.290 nan 0.000 0.534 484 L N 2.744 124.087 121.223 0.199 0.000 2.416 484 L HA 0.139 4.480 4.340 0.001 0.000 0.243 484 L C 0.383 177.406 176.870 0.255 0.000 1.373 484 L CA -0.745 54.219 54.840 0.208 0.000 1.227 484 L CB -1.074 41.028 42.059 0.072 0.000 1.428 484 L HN 0.289 nan 8.230 nan 0.000 0.425 485 N N 0.247 119.079 118.700 0.220 0.000 2.354 485 N HA 0.216 4.957 4.740 0.001 0.000 0.246 485 N C 1.177 176.630 175.510 -0.096 0.000 1.285 485 N CA 0.118 53.214 53.050 0.076 0.000 0.925 485 N CB 0.788 39.286 38.487 0.018 0.000 1.174 485 N HN 0.191 nan 8.380 nan 0.000 0.478 486 A N -0.099 122.368 122.820 -0.589 0.000 1.940 486 A HA -0.231 4.090 4.320 0.001 0.000 0.219 486 A C 1.500 178.952 177.584 -0.220 0.000 1.176 486 A CA 1.698 53.307 52.037 -0.713 0.000 0.631 486 A CB -0.783 17.643 19.000 -0.956 0.000 0.814 486 A HN 0.815 nan 8.150 nan 0.000 0.446 487 D N -1.029 119.300 120.400 -0.117 0.000 2.077 487 D HA -0.122 4.519 4.640 0.001 0.000 0.196 487 D C 1.726 178.076 176.300 0.083 0.000 0.986 487 D CA 1.268 55.259 54.000 -0.014 0.000 0.829 487 D CB -0.551 40.249 40.800 -0.001 0.000 0.983 487 D HN 0.395 nan 8.370 nan 0.000 0.453 488 F N 1.956 121.863 119.950 -0.071 0.000 2.091 488 F HA -0.186 4.341 4.527 0.001 0.000 0.299 488 F C 2.181 177.950 175.800 -0.052 0.000 1.103 488 F CA 0.761 58.729 58.000 -0.054 0.000 1.228 488 F CB -0.714 38.256 39.000 -0.050 0.000 0.984 488 F HN -0.118 nan 8.300 nan 0.000 0.477 489 L N 0.739 121.890 121.223 -0.119 0.000 2.083 489 L HA -0.129 4.212 4.340 0.001 0.000 0.209 489 L C 2.630 179.391 176.870 -0.183 0.000 1.083 489 L CA 1.791 56.498 54.840 -0.222 0.000 0.752 489 L CB -0.941 41.118 42.059 0.001 0.000 0.899 489 L HN 0.165 nan 8.230 nan 0.000 0.433 490 R N -0.938 119.508 120.500 -0.090 0.000 2.081 490 R HA -0.208 4.133 4.340 0.001 0.000 0.235 490 R C 2.278 178.527 176.300 -0.085 0.000 1.131 490 R CA 1.904 57.957 56.100 -0.079 0.000 0.960 490 R CB -0.194 30.103 30.300 -0.005 0.000 0.856 490 R HN 0.525 nan 8.270 nan 0.000 0.436 491 Q N 0.130 119.910 119.800 -0.033 0.000 2.096 491 Q HA -0.166 4.175 4.340 0.001 0.000 0.204 491 Q C 2.210 178.208 176.000 -0.002 0.000 0.982 491 Q CA 1.766 57.581 55.803 0.020 0.000 0.850 491 Q CB -0.067 28.739 28.738 0.114 0.000 0.901 491 Q HN 0.381 nan 8.270 nan 0.000 0.422 492 L N 0.203 121.352 121.223 -0.123 0.000 2.056 492 L HA -0.175 4.165 4.340 0.001 0.000 0.207 492 L C 2.253 179.158 176.870 0.059 0.000 1.078 492 L CA 0.785 55.591 54.840 -0.056 0.000 0.749 492 L CB -0.345 41.457 42.059 -0.428 0.000 0.901 492 L HN 0.046 nan 8.230 nan 0.000 0.433 493 K N 0.442 120.724 120.400 -0.197 0.000 2.097 493 K HA -0.137 4.184 4.320 0.001 0.000 0.206 493 K C 2.156 178.593 176.600 -0.272 0.000 1.049 493 K CA 1.277 57.300 56.287 -0.439 0.000 0.933 493 K CB -0.363 31.475 32.500 -1.104 0.000 0.717 493 K HN 0.249 nan 8.250 nan 0.000 0.442 494 R N 0.616 121.051 120.500 -0.110 0.000 2.189 494 R HA -0.023 4.317 4.340 0.001 0.000 0.223 494 R C 1.373 177.718 176.300 0.074 0.000 1.092 494 R CA 0.766 56.898 56.100 0.054 0.000 0.989 494 R CB 0.132 30.480 30.300 0.079 0.000 0.876 494 R HN -0.076 nan 8.270 nan 0.000 0.457 495 K N -0.632 119.812 120.400 0.074 0.000 2.458 495 K HA 0.126 4.447 4.320 0.001 0.000 0.194 495 K C 0.827 177.388 176.600 -0.066 0.000 1.024 495 K CA 0.638 56.954 56.287 0.048 0.000 1.108 495 K CB 0.745 33.348 32.500 0.172 0.000 0.846 495 K HN 0.368 nan 8.250 nan 0.000 0.518 496 G N 1.113 109.907 108.800 -0.011 0.000 2.159 496 G HA2 -0.273 3.688 3.960 0.001 0.000 0.256 496 G HA3 -0.273 3.688 3.960 0.001 0.000 0.256 496 G C 0.011 174.856 174.900 -0.092 0.000 0.977 496 G CA -0.328 44.750 45.100 -0.038 0.000 0.652 496 G HN 0.226 nan 8.290 nan 0.000 0.531 497 F N 1.837 121.769 119.950 -0.030 0.000 2.578 497 F HA 0.486 5.013 4.527 0.001 0.000 0.376 497 F C 1.209 176.984 175.800 -0.043 0.000 1.085 497 F CA 0.512 58.491 58.000 -0.034 0.000 1.260 497 F CB 0.696 39.648 39.000 -0.080 0.000 1.095 497 F HN 0.375 nan 8.300 nan 0.000 0.573 498 A N 3.165 126.089 122.820 0.172 0.000 2.304 498 A HA 0.214 4.534 4.320 0.001 0.000 0.271 498 A C 1.096 178.732 177.584 0.087 0.000 1.091 498 A CA -0.657 51.444 52.037 0.106 0.000 0.812 498 A CB 0.305 19.355 19.000 0.084 0.000 1.056 498 A HN 0.756 nan 8.150 nan 0.000 0.489 499 D N 1.221 121.649 120.400 0.047 0.000 2.144 499 D HA -0.107 4.534 4.640 0.001 0.000 0.199 499 D C 2.119 178.431 176.300 0.019 0.000 0.984 499 D CA 1.886 55.895 54.000 0.014 0.000 0.834 499 D CB -0.312 40.493 40.800 0.009 0.000 0.955 499 D HN 0.622 nan 8.370 nan 0.000 0.465 500 A N 0.683 123.524 122.820 0.035 0.000 1.933 500 A HA -0.170 4.150 4.320 0.001 0.000 0.218 500 A C 2.200 179.813 177.584 0.048 0.000 1.175 500 A CA 1.600 53.657 52.037 0.033 0.000 0.628 500 A CB -0.332 18.686 19.000 0.031 0.000 0.814 500 A HN 0.066 nan 8.150 nan 0.000 0.444 501 R N 0.011 120.563 120.500 0.086 0.000 2.062 501 R HA 0.051 4.391 4.340 0.001 0.000 0.229 501 R C 1.886 178.230 176.300 0.075 0.000 1.128 501 R CA 1.472 57.645 56.100 0.122 0.000 0.960 501 R CB -0.745 29.699 30.300 0.240 0.000 0.855 501 R HN 0.496 nan 8.270 nan 0.000 0.432 502 L N -0.010 121.234 121.223 0.034 0.000 2.083 502 L HA -0.103 4.237 4.340 0.001 0.000 0.209 502 L C 2.529 179.375 176.870 -0.041 0.000 1.083 502 L CA 1.366 56.169 54.840 -0.062 0.000 0.752 502 L CB -0.740 41.242 42.059 -0.129 0.000 0.899 502 L HN 0.297 nan 8.230 nan 0.000 0.433 503 A N 0.449 123.258 122.820 -0.018 0.000 1.865 503 A HA -0.234 4.086 4.320 0.001 0.000 0.217 503 A C 2.368 179.949 177.584 -0.004 0.000 1.191 503 A CA 1.855 53.884 52.037 -0.014 0.000 0.623 503 A CB -0.422 18.573 19.000 -0.008 0.000 0.826 503 A HN 0.329 nan 8.150 nan 0.000 0.444 504 K N -0.580 119.825 120.400 0.009 0.000 2.074 504 K HA -0.124 4.196 4.320 0.001 0.000 0.209 504 K C 1.847 178.455 176.600 0.014 0.000 1.048 504 K CA 1.637 57.934 56.287 0.016 0.000 0.926 504 K CB -0.435 32.084 32.500 0.031 0.000 0.713 504 K HN 0.472 nan 8.250 nan 0.000 0.444 505 L N 0.071 121.300 121.223 0.011 0.000 2.156 505 L HA -0.068 4.273 4.340 0.001 0.000 0.208 505 L C 2.316 179.186 176.870 -0.001 0.000 1.095 505 L CA 0.763 55.607 54.840 0.007 0.000 0.770 505 L CB -0.250 41.804 42.059 -0.009 0.000 0.914 505 L HN 0.152 nan 8.230 nan 0.000 0.439 506 A N -0.458 122.355 122.820 -0.011 0.000 2.169 506 A HA 0.307 4.628 4.320 0.001 0.000 0.212 506 A C 1.622 179.205 177.584 -0.002 0.000 1.153 506 A CA 0.683 52.716 52.037 -0.007 0.000 0.756 506 A CB -0.377 18.612 19.000 -0.018 0.000 0.813 506 A HN 0.462 nan 8.150 nan 0.000 0.471 507 G N -0.905 107.895 108.800 -0.001 0.000 2.204 507 G HA2 0.015 3.976 3.960 0.001 0.000 0.244 507 G HA3 0.015 3.976 3.960 0.001 0.000 0.244 507 G C 0.111 175.009 174.900 -0.003 0.000 1.062 507 G CA 0.629 45.730 45.100 0.000 0.000 0.798 507 G HN 1.808 nan 8.290 nan 0.000 0.496 508 V N -4.554 115.357 119.914 -0.006 0.000 3.156 508 V HA 0.857 4.977 4.120 0.001 0.000 0.310 508 V C 0.475 176.563 176.094 -0.010 0.000 1.234 508 V CA -1.954 60.340 62.300 -0.009 0.000 1.065 508 V CB 1.318 33.132 31.823 -0.015 0.000 1.088 508 V HN 0.374 nan 8.190 nan 0.000 0.451 509 R N 0.385 120.878 120.500 -0.011 0.000 2.539 509 R HA 0.254 4.595 4.340 0.001 0.000 0.275 509 R C 1.325 177.617 176.300 -0.013 0.000 1.077 509 R CA 0.248 56.342 56.100 -0.010 0.000 1.097 509 R CB 0.779 31.073 30.300 -0.011 0.000 1.018 509 R HN 0.992 nan 8.270 nan 0.000 0.483 510 E N 2.305 122.499 120.200 -0.009 0.000 2.118 510 E HA -0.246 4.104 4.350 0.001 0.000 0.195 510 E C 1.455 178.047 176.600 -0.014 0.000 0.992 510 E CA 1.537 57.933 56.400 -0.008 0.000 0.804 510 E CB 0.045 29.745 29.700 0.000 0.000 0.741 510 E HN 0.745 nan 8.360 nan 0.000 0.458 511 A N 1.020 123.832 122.820 -0.013 0.000 2.070 511 A HA -0.182 4.139 4.320 0.001 0.000 0.220 511 A C 1.876 179.443 177.584 -0.028 0.000 1.159 511 A CA 1.337 53.364 52.037 -0.016 0.000 0.656 511 A CB -0.330 18.663 19.000 -0.012 0.000 0.800 511 A HN 0.217 nan 8.150 nan 0.000 0.453 512 E N 0.100 120.280 120.200 -0.032 0.000 2.072 512 E HA -0.123 4.227 4.350 0.001 0.000 0.191 512 E C 1.972 178.531 176.600 -0.068 0.000 0.985 512 E CA 0.822 57.195 56.400 -0.045 0.000 0.801 512 E CB -0.354 29.324 29.700 -0.037 0.000 0.750 512 E HN 0.573 nan 8.360 nan 0.000 0.452 513 I N 0.504 121.037 120.570 -0.061 0.000 2.252 513 I HA -0.172 3.999 4.170 0.001 0.000 0.245 513 I C 2.478 178.542 176.117 -0.089 0.000 1.102 513 I CA 0.905 62.157 61.300 -0.079 0.000 1.385 513 I CB -0.861 37.103 38.000 -0.060 0.000 1.064 513 I HN 0.095 nan 8.210 nan 0.000 0.414 514 R N 1.178 121.644 120.500 -0.056 0.000 2.120 514 R HA -0.150 4.190 4.340 0.001 0.000 0.234 514 R C 2.244 178.503 176.300 -0.068 0.000 1.123 514 R CA 1.167 57.240 56.100 -0.044 0.000 0.975 514 R CB 0.055 30.351 30.300 -0.007 0.000 0.866 514 R HN 0.254 nan 8.270 nan 0.000 0.446 515 K N 0.049 120.402 120.400 -0.078 0.000 2.057 515 K HA -0.144 4.176 4.320 0.001 0.000 0.206 515 K C 1.945 178.441 176.600 -0.174 0.000 1.050 515 K CA 1.030 57.263 56.287 -0.090 0.000 0.935 515 K CB -0.157 32.298 32.500 -0.075 0.000 0.715 515 K HN 0.081 nan 8.250 nan 0.000 0.439 516 L N 1.719 122.794 121.223 -0.246 0.000 2.042 516 L HA -0.188 4.153 4.340 0.001 0.000 0.210 516 L C 2.085 178.593 176.870 -0.602 0.000 1.076 516 L CA 1.652 56.193 54.840 -0.498 0.000 0.749 516 L CB -0.352 41.466 42.059 -0.402 0.000 0.893 516 L HN 0.090 nan 8.230 nan 0.000 0.432 517 R N -0.819 119.503 120.500 -0.296 0.000 2.092 517 R HA -0.126 4.215 4.340 0.001 0.000 0.231 517 R C 1.858 178.056 176.300 -0.170 0.000 1.119 517 R CA 1.302 57.285 56.100 -0.195 0.000 0.970 517 R CB -0.387 29.806 30.300 -0.178 0.000 0.864 517 R HN 0.451 nan 8.270 nan 0.000 0.440 518 D N 0.506 120.851 120.400 -0.092 0.000 2.117 518 D HA -0.180 4.461 4.640 0.001 0.000 0.198 518 D C 1.847 178.188 176.300 0.068 0.000 0.982 518 D CA 1.079 55.125 54.000 0.077 0.000 0.828 518 D CB -0.075 40.774 40.800 0.082 0.000 0.967 518 D HN 0.265 nan 8.370 nan 0.000 0.464 519 Q N -0.674 119.099 119.800 -0.044 0.000 2.124 519 Q HA -0.170 4.171 4.340 0.001 0.000 0.202 519 Q C 1.271 177.348 176.000 0.128 0.000 0.977 519 Q CA 1.077 56.863 55.803 -0.028 0.000 0.850 519 Q CB 0.107 28.725 28.738 -0.200 0.000 0.901 519 Q HN 0.322 nan 8.270 nan 0.000 0.429 520 Y N -0.174 120.134 120.300 0.013 0.000 2.482 520 Y HA 0.090 4.640 4.550 0.001 0.000 0.270 520 Y C 0.201 176.122 175.900 0.035 0.000 1.152 520 Y CA 0.265 58.373 58.100 0.013 0.000 1.292 520 Y CB 0.126 38.578 38.460 -0.013 0.000 1.070 520 Y HN 0.152 nan 8.280 nan 0.000 0.528 521 D N 0.015 120.538 120.400 0.206 0.000 2.716 521 D HA -0.192 4.448 4.640 0.001 0.000 0.239 521 D C -0.951 175.465 176.300 0.194 0.000 1.125 521 D CA 0.250 54.401 54.000 0.253 0.000 0.681 521 D CB -1.250 39.680 40.800 0.216 0.000 1.070 521 D HN 0.141 nan 8.370 nan 0.000 0.432 522 L N 2.811 124.002 121.223 -0.053 0.000 2.335 522 L HA 0.442 4.783 4.340 0.001 0.000 0.268 522 L C -0.759 175.940 176.870 -0.285 0.000 1.037 522 L CA -0.332 54.492 54.840 -0.027 0.000 0.895 522 L CB 0.605 42.711 42.059 0.079 0.000 1.266 522 L HN 0.156 nan 8.230 nan 0.000 0.439 523 H N 3.637 122.831 119.070 0.207 0.000 2.834 523 H HA 0.630 5.187 4.556 0.001 0.000 0.369 523 H C -2.538 172.590 175.328 -0.332 0.000 1.174 523 H CA -1.711 54.369 56.048 0.053 0.000 1.165 523 H CB 1.844 31.617 29.762 0.019 0.000 1.820 523 H HN 0.316 nan 8.280 nan 0.000 0.558 524 P HA 0.166 nan 4.420 nan 0.000 0.279 524 P C -0.360 176.612 177.300 -0.546 0.000 1.276 524 P CA -0.532 61.971 63.100 -0.996 0.000 0.801 524 P CB 1.109 32.199 31.700 -1.016 0.000 1.127 525 V N -2.957 116.619 119.914 -0.565 0.000 3.019 525 V HA 0.597 4.717 4.120 0.001 0.000 0.317 525 V C -1.164 174.556 176.094 -0.623 0.000 1.094 525 V CA -0.965 61.120 62.300 -0.358 0.000 1.000 525 V CB 1.315 33.037 31.823 -0.169 0.000 1.060 525 V HN 0.322 nan 8.190 nan 0.000 0.443 526 Y N 1.067 121.294 120.300 -0.122 0.000 2.364 526 Y HA 0.691 5.242 4.550 0.001 0.000 0.340 526 Y C 0.419 176.147 175.900 -0.286 0.000 0.975 526 Y CA -0.754 57.242 58.100 -0.173 0.000 1.089 526 Y CB 1.879 40.340 38.460 0.003 0.000 1.192 526 Y HN 0.524 nan 8.280 nan 0.000 0.454 527 K N 2.956 123.040 120.400 -0.527 0.000 2.168 527 K HA 0.578 4.898 4.320 0.001 0.000 0.239 527 K C -0.405 175.971 176.600 -0.374 0.000 0.999 527 K CA -0.903 55.100 56.287 -0.474 0.000 0.900 527 K CB 1.557 33.777 32.500 -0.467 0.000 1.111 527 K HN 0.700 nan 8.250 nan 0.000 0.452 528 R N 0.166 120.600 120.500 -0.110 0.000 2.664 528 R HA 0.432 4.773 4.340 0.001 0.000 0.286 528 R C -0.492 175.852 176.300 0.072 0.000 0.967 528 R CA -0.964 55.123 56.100 -0.022 0.000 0.933 528 R CB 1.610 31.913 30.300 0.005 0.000 1.146 528 R HN 0.202 nan 8.270 nan 0.000 0.468 529 V N 2.521 122.409 119.914 -0.044 0.000 2.546 529 V HA 0.053 4.174 4.120 0.001 0.000 0.284 529 V C 0.208 176.341 176.094 0.066 0.000 1.050 529 V CA 0.304 62.574 62.300 -0.050 0.000 0.981 529 V CB 1.294 32.738 31.823 -0.631 0.000 0.990 529 V HN 0.965 nan 8.190 nan 0.000 0.474 530 D N 0.647 121.141 120.400 0.157 0.000 2.497 530 D HA 0.050 4.691 4.640 0.001 0.000 0.256 530 D C 0.922 177.340 176.300 0.195 0.000 1.273 530 D CA 0.777 54.861 54.000 0.141 0.000 0.812 530 D CB 0.154 41.032 40.800 0.130 0.000 1.190 530 D HN 0.779 nan 8.370 nan 0.000 0.524 531 T N -2.195 112.505 114.554 0.244 0.000 7.776 531 T HA -0.355 3.996 4.350 0.001 0.000 0.302 531 T C 1.119 176.038 174.700 0.366 0.000 2.093 531 T CA 1.345 63.653 62.100 0.347 0.000 3.360 531 T CB -2.924 66.280 68.868 0.560 0.000 1.793 531 T HN 0.925 nan 8.240 nan 0.000 1.076 532 C N 0.615 120.076 119.300 0.269 0.000 3.226 532 C HA 0.894 5.355 4.460 0.001 0.000 0.258 532 C C 1.768 176.838 174.990 0.133 0.000 1.688 532 C CA -0.125 59.050 59.018 0.262 0.000 1.774 532 C CB -0.445 27.523 27.740 0.380 0.000 3.167 532 C HN 2.234 nan 8.230 nan 0.000 0.509 533 A N 0.142 123.006 122.820 0.074 0.000 2.826 533 A HA 0.226 4.546 4.320 0.001 0.000 0.274 533 A C 1.591 179.184 177.584 0.014 0.000 1.443 533 A CA 1.731 53.779 52.037 0.019 0.000 0.833 533 A CB -1.914 17.077 19.000 -0.015 0.000 1.023 533 A HN 2.858 nan 8.150 nan 0.000 0.600 534 A N -2.449 120.392 122.820 0.035 0.000 3.080 534 A HA -0.281 4.040 4.320 0.001 0.000 0.254 534 A C 1.051 178.567 177.584 -0.113 0.000 1.277 534 A CA 2.115 54.149 52.037 -0.004 0.000 1.065 534 A CB -2.311 16.691 19.000 0.003 0.000 1.160 534 A HN 1.904 nan 8.150 nan 0.000 0.886 535 E N -1.555 118.527 120.200 -0.197 0.000 2.338 535 E HA 0.139 4.490 4.350 0.001 0.000 0.197 535 E C 0.008 175.924 176.600 -1.140 0.000 1.007 535 E CA 0.872 56.924 56.400 -0.580 0.000 0.849 535 E CB 0.003 29.352 29.700 -0.585 0.000 0.774 535 E HN 0.747 nan 8.360 nan 0.000 0.506 536 F N -0.572 119.365 119.950 -0.021 0.000 2.588 536 F HA 0.525 5.052 4.527 0.001 0.000 0.310 536 F C 0.066 175.852 175.800 -0.023 0.000 1.082 536 F CA -1.109 56.871 58.000 -0.034 0.000 0.929 536 F CB 1.381 40.340 39.000 -0.067 0.000 1.254 536 F HN -0.193 nan 8.300 nan 0.000 0.455 537 A N 1.020 123.926 122.820 0.144 0.000 2.386 537 A HA 0.563 4.884 4.320 0.001 0.000 0.248 537 A C 0.029 177.660 177.584 0.079 0.000 1.082 537 A CA -0.046 52.039 52.037 0.080 0.000 0.789 537 A CB 0.538 19.567 19.000 0.048 0.000 1.025 537 A HN 0.746 nan 8.150 nan 0.000 0.490 538 T N -0.813 113.769 114.554 0.046 0.000 2.887 538 T HA 0.458 4.809 4.350 0.001 0.000 0.288 538 T C -0.314 174.390 174.700 0.006 0.000 1.021 538 T CA -0.617 61.496 62.100 0.022 0.000 1.000 538 T CB 1.050 69.931 68.868 0.022 0.000 1.034 538 T HN 0.539 nan 8.240 nan 0.000 0.467 539 D N 2.225 122.619 120.400 -0.010 0.000 2.433 539 D HA 0.158 4.798 4.640 0.001 0.000 0.211 539 D C -0.014 176.278 176.300 -0.014 0.000 1.114 539 D CA 0.111 54.105 54.000 -0.009 0.000 0.837 539 D CB 0.821 41.615 40.800 -0.010 0.000 0.984 539 D HN 0.463 nan 8.370 nan 0.000 0.505 540 T N 0.712 115.250 114.554 -0.026 0.000 2.875 540 T HA 0.495 4.846 4.350 0.001 0.000 0.284 540 T C 0.203 174.906 174.700 0.005 0.000 0.995 540 T CA -0.483 61.600 62.100 -0.028 0.000 1.060 540 T CB 2.169 70.969 68.868 -0.113 0.000 0.967 540 T HN -0.069 nan 8.240 nan 0.000 0.476 541 A N 3.310 126.138 122.820 0.014 0.000 3.079 541 A HA 0.409 4.730 4.320 0.001 0.000 0.315 541 A C -0.837 176.767 177.584 0.034 0.000 1.334 541 A CA -0.440 51.590 52.037 -0.012 0.000 1.048 541 A CB -0.333 18.630 19.000 -0.063 0.000 1.156 541 A HN 0.713 nan 8.150 nan 0.000 0.523 542 Y N 2.693 122.955 120.300 -0.062 0.000 2.478 542 Y HA 0.701 5.251 4.550 0.001 0.000 0.329 542 Y C -0.567 175.341 175.900 0.013 0.000 0.967 542 Y CA -1.732 56.371 58.100 0.005 0.000 1.255 542 Y CB 0.513 39.011 38.460 0.062 0.000 1.103 542 Y HN 0.573 nan 8.280 nan 0.000 0.497 543 M N 5.936 125.661 119.600 0.210 0.000 2.761 543 M HA 0.560 5.041 4.480 0.001 0.000 0.305 543 M C -1.553 174.930 176.300 0.305 0.000 1.235 543 M CA -1.132 54.220 55.300 0.086 0.000 0.850 543 M CB 2.921 35.469 32.600 -0.087 0.000 1.744 543 M HN 0.460 nan 8.290 nan 0.000 0.480 544 Y N -1.784 118.638 120.300 0.203 0.000 2.544 544 Y HA 0.780 5.331 4.550 0.001 0.000 0.342 544 Y C -0.835 175.174 175.900 0.182 0.000 1.062 544 Y CA -1.416 56.817 58.100 0.222 0.000 1.023 544 Y CB 0.810 39.280 38.460 0.017 0.000 1.308 544 Y HN 0.723 nan 8.280 nan 0.000 0.457 545 S N 1.588 117.365 115.700 0.128 0.000 2.586 545 S HA 0.781 5.252 4.470 0.001 0.000 0.274 545 S C -0.343 174.190 174.600 -0.112 0.000 1.281 545 S CA 0.041 58.050 58.200 -0.317 0.000 1.035 545 S CB 1.706 64.697 63.200 -0.347 0.000 0.962 545 S HN 1.115 nan 8.310 nan 0.000 0.512 546 T N 0.667 115.049 114.554 -0.287 0.000 2.802 546 T HA 0.451 4.801 4.350 0.001 0.000 0.311 546 T C -2.112 172.444 174.700 -0.239 0.000 1.405 546 T CA -0.591 61.461 62.100 -0.080 0.000 1.016 546 T CB 0.776 69.693 68.868 0.081 0.000 1.352 546 T HN 0.588 nan 8.240 nan 0.000 0.498 547 Y N 2.176 122.466 120.300 -0.016 0.000 2.880 547 Y HA 0.538 5.089 4.550 0.001 0.000 0.329 547 Y C 0.813 176.716 175.900 0.006 0.000 1.156 547 Y CA -0.236 57.858 58.100 -0.010 0.000 1.348 547 Y CB 0.585 39.050 38.460 0.008 0.000 1.280 547 Y HN 0.595 nan 8.280 nan 0.000 0.516 548 E N -0.050 120.162 120.200 0.020 0.000 2.489 548 E HA 0.293 4.644 4.350 0.001 0.000 0.201 548 E C 0.409 177.019 176.600 0.018 0.000 0.752 548 E CA -0.525 55.896 56.400 0.036 0.000 0.948 548 E CB 1.219 30.939 29.700 0.034 0.000 1.871 548 E HN 0.280 nan 8.360 nan 0.000 0.383 549 E N 0.603 120.813 120.200 0.017 0.000 2.094 549 E HA 0.029 4.380 4.350 0.001 0.000 0.193 549 E C -0.057 176.547 176.600 0.005 0.000 0.950 549 E CA 0.406 56.816 56.400 0.017 0.000 0.842 549 E CB 0.163 29.877 29.700 0.023 0.000 0.816 549 E HN 0.352 nan 8.360 nan 0.000 0.465 550 E N 0.681 120.882 120.200 0.002 0.000 2.283 550 E HA 0.172 4.523 4.350 0.001 0.000 0.278 550 E C -1.119 175.474 176.600 -0.011 0.000 1.027 550 E CA -0.247 56.153 56.400 0.001 0.000 0.843 550 E CB 1.283 30.986 29.700 0.005 0.000 1.062 550 E HN 0.044 nan 8.360 nan 0.000 0.401 551 C N 4.302 123.603 119.300 0.003 0.000 2.355 551 C HA 0.367 4.827 4.460 0.001 0.000 0.332 551 C C 0.410 175.418 174.990 0.031 0.000 1.255 551 C CA -0.278 58.752 59.018 0.019 0.000 1.792 551 C CB 0.236 28.007 27.740 0.052 0.000 2.300 551 C HN 0.947 nan 8.230 nan 0.000 0.515 552 E N 2.984 123.206 120.200 0.036 0.000 2.603 552 E HA 0.151 4.501 4.350 0.001 0.000 0.211 552 E C 1.477 178.099 176.600 0.035 0.000 0.995 552 E CA 0.239 56.654 56.400 0.025 0.000 0.990 552 E CB 0.578 30.279 29.700 0.001 0.000 1.036 552 E HN 0.801 nan 8.360 nan 0.000 0.475 553 A N 2.318 125.186 122.820 0.080 0.000 1.851 553 A HA -0.223 4.098 4.320 0.001 0.000 0.216 553 A C 0.852 178.449 177.584 0.023 0.000 1.195 553 A CA 1.038 53.109 52.037 0.057 0.000 0.622 553 A CB -0.421 18.638 19.000 0.100 0.000 0.831 553 A HN 0.356 nan 8.150 nan 0.000 0.444 554 N N -0.477 118.243 118.700 0.033 0.000 2.642 554 N HA -0.105 4.636 4.740 0.001 0.000 0.269 554 N C -2.577 172.942 175.510 0.015 0.000 1.073 554 N CA 1.108 54.170 53.050 0.021 0.000 0.748 554 N CB -1.713 36.782 38.487 0.013 0.000 0.894 554 N HN 0.397 nan 8.380 nan 0.000 0.548 555 P HA 0.086 nan 4.420 nan 0.000 0.270 555 P C 0.421 177.730 177.300 0.015 0.000 1.223 555 P CA -0.193 62.919 63.100 0.020 0.000 0.785 555 P CB 0.564 32.275 31.700 0.019 0.000 0.923 556 S N -0.350 115.360 115.700 0.016 0.000 2.632 556 S HA 0.353 4.824 4.470 0.001 0.000 0.267 556 S C 0.960 175.568 174.600 0.013 0.000 1.276 556 S CA 0.410 58.618 58.200 0.014 0.000 0.998 556 S CB 0.526 63.736 63.200 0.016 0.000 0.953 556 S HN 0.626 nan 8.310 nan 0.000 0.547 557 T N -2.141 112.419 114.554 0.010 0.000 2.964 557 T HA 0.133 4.483 4.350 0.001 0.000 0.249 557 T C 1.154 175.859 174.700 0.009 0.000 1.000 557 T CA 0.488 62.594 62.100 0.009 0.000 0.992 557 T CB -0.553 68.318 68.868 0.006 0.000 1.087 557 T HN 0.541 nan 8.240 nan 0.000 0.489 558 D N 2.312 122.717 120.400 0.008 0.000 2.205 558 D HA -0.114 4.526 4.640 0.001 0.000 0.190 558 D C 1.094 177.398 176.300 0.006 0.000 1.002 558 D CA 1.392 55.395 54.000 0.006 0.000 0.848 558 D CB -0.001 40.803 40.800 0.006 0.000 0.975 558 D HN 0.445 nan 8.370 nan 0.000 0.449 559 R N -0.121 120.388 120.500 0.014 0.000 2.607 559 R HA 0.395 4.736 4.340 0.001 0.000 0.261 559 R C -0.087 176.238 176.300 0.043 0.000 1.051 559 R CA -0.576 55.536 56.100 0.020 0.000 1.110 559 R CB 0.730 31.046 30.300 0.027 0.000 1.158 559 R HN 0.107 nan 8.270 nan 0.000 0.543 560 E N 1.839 122.078 120.200 0.066 0.000 2.044 560 E HA 0.087 4.438 4.350 0.001 0.000 0.282 560 E C -0.856 175.871 176.600 0.211 0.000 1.031 560 E CA -0.126 56.356 56.400 0.137 0.000 0.824 560 E CB 0.927 30.735 29.700 0.180 0.000 1.076 560 E HN 0.142 nan 8.360 nan 0.000 0.395 561 K N 3.220 123.695 120.400 0.125 0.000 2.143 561 K HA 0.447 4.768 4.320 0.001 0.000 0.272 561 K C -0.278 176.337 176.600 0.026 0.000 1.001 561 K CA -0.647 55.694 56.287 0.089 0.000 0.915 561 K CB 1.469 33.999 32.500 0.050 0.000 1.047 561 K HN 0.284 nan 8.250 nan 0.000 0.458 562 I N 3.364 123.924 120.570 -0.017 0.000 2.436 562 I HA 0.287 4.457 4.170 0.001 0.000 0.289 562 I C -0.431 175.645 176.117 -0.068 0.000 1.010 562 I CA -0.666 60.565 61.300 -0.115 0.000 1.098 562 I CB 1.676 39.520 38.000 -0.260 0.000 1.266 562 I HN 0.747 nan 8.210 nan 0.000 0.434 563 M N 7.212 126.768 119.600 -0.072 0.000 2.300 563 M HA 0.582 5.063 4.480 0.001 0.000 0.348 563 M C -1.614 174.649 176.300 -0.063 0.000 1.151 563 M CA -0.460 54.812 55.300 -0.046 0.000 1.046 563 M CB 1.599 34.175 32.600 -0.041 0.000 1.647 563 M HN 0.288 nan 8.290 nan 0.000 0.451 564 V N 6.553 126.446 119.914 -0.035 0.000 2.409 564 V HA 0.412 4.533 4.120 0.001 0.000 0.291 564 V C -0.297 175.792 176.094 -0.008 0.000 1.020 564 V CA -0.729 61.551 62.300 -0.034 0.000 0.848 564 V CB 1.393 33.208 31.823 -0.013 0.000 0.990 564 V HN 0.821 nan 8.190 nan 0.000 0.430 565 L N 4.636 125.852 121.223 -0.011 0.000 2.275 565 L HA 0.631 4.972 4.340 0.001 0.000 0.288 565 L C 1.092 177.971 176.870 0.016 0.000 1.046 565 L CA -0.117 54.719 54.840 -0.006 0.000 0.805 565 L CB 1.122 43.169 42.059 -0.019 0.000 1.193 565 L HN 0.771 nan 8.230 nan 0.000 0.426 566 G N 1.489 110.289 108.800 0.000 0.000 2.563 566 G HA2 0.371 4.332 3.960 0.001 0.000 0.283 566 G HA3 0.371 4.332 3.960 0.001 0.000 0.283 566 G C 0.726 175.619 174.900 -0.011 0.000 1.309 566 G CA -0.001 45.101 45.100 0.003 0.000 1.022 566 G HN 0.769 nan 8.290 nan 0.000 0.501 567 G N -1.592 107.202 108.800 -0.011 0.000 3.502 567 G HA2 0.543 4.504 3.960 0.001 0.000 0.267 567 G HA3 0.543 4.504 3.960 0.001 0.000 0.267 567 G C 0.914 175.787 174.900 -0.046 0.000 1.090 567 G CA 0.829 45.907 45.100 -0.036 0.000 0.795 567 G HN 1.804 nan 8.290 nan 0.000 0.535 568 G N 0.782 109.548 108.800 -0.057 0.000 2.645 568 G HA2 -0.164 3.796 3.960 0.001 0.000 0.239 568 G HA3 -0.164 3.796 3.960 0.001 0.000 0.239 568 G C -2.401 172.470 174.900 -0.048 0.000 1.331 568 G CA -0.392 44.672 45.100 -0.060 0.000 0.890 568 G HN 0.348 nan 8.290 nan 0.000 0.572 569 P HA 0.147 nan 4.420 nan 0.000 0.267 569 P C 0.114 177.398 177.300 -0.026 0.000 1.200 569 P CA 0.125 63.205 63.100 -0.033 0.000 0.772 569 P CB 0.136 31.818 31.700 -0.030 0.000 0.855 570 N N 1.775 120.462 118.700 -0.022 0.000 2.482 570 N HA 0.373 5.114 4.740 0.001 0.000 0.260 570 N C 0.069 175.570 175.510 -0.015 0.000 1.236 570 N CA -0.066 52.983 53.050 -0.003 0.000 0.938 570 N CB 0.390 38.880 38.487 0.004 0.000 1.128 570 N HN 0.338 nan 8.380 nan 0.000 0.448 571 R N 0.209 120.710 120.500 0.002 0.000 2.752 571 R HA 0.450 4.791 4.340 0.001 0.000 0.271 571 R C -1.030 175.277 176.300 0.012 0.000 1.026 571 R CA -0.793 55.305 56.100 -0.004 0.000 0.901 571 R CB 0.701 30.993 30.300 -0.014 0.000 1.243 571 R HN 0.399 nan 8.270 nan 0.000 0.463 572 I N 1.859 122.434 120.570 0.009 0.000 2.668 572 I HA 0.156 4.327 4.170 0.001 0.000 0.285 572 I C 1.185 177.293 176.117 -0.015 0.000 1.168 572 I CA 1.767 63.069 61.300 0.003 0.000 1.424 572 I CB 0.493 38.495 38.000 0.004 0.000 1.377 572 I HN 0.959 nan 8.210 nan 0.000 0.560 573 G N 4.735 113.541 108.800 0.010 0.000 2.241 573 G HA2 -0.218 3.743 3.960 0.001 0.000 0.244 573 G HA3 -0.218 3.743 3.960 0.001 0.000 0.244 573 G C 0.380 175.385 174.900 0.174 0.000 0.998 573 G CA -0.353 44.776 45.100 0.048 0.000 0.621 573 G HN 0.534 nan 8.290 nan 0.000 0.519 574 Q N 1.077 120.958 119.800 0.134 0.000 2.656 574 Q HA 0.503 4.844 4.340 0.001 0.000 0.389 574 Q C 0.888 177.031 176.000 0.239 0.000 0.883 574 Q CA 0.351 56.249 55.803 0.158 0.000 1.056 574 Q CB 0.669 29.380 28.738 -0.045 0.000 1.391 574 Q HN 0.575 nan 8.270 nan 0.000 0.399 575 G N 0.234 109.211 108.800 0.294 0.000 2.531 575 G HA2 0.249 4.210 3.960 0.001 0.000 0.253 575 G HA3 0.249 4.210 3.960 0.001 0.000 0.253 575 G C 0.786 175.769 174.900 0.138 0.000 1.439 575 G CA -0.527 44.661 45.100 0.147 0.000 1.056 575 G HN 0.433 nan 8.290 nan 0.000 0.555 576 I N -0.452 120.146 120.570 0.046 0.000 2.567 576 I HA -0.090 4.081 4.170 0.001 0.000 0.257 576 I C 2.477 178.590 176.117 -0.007 0.000 1.184 576 I CA 1.272 62.595 61.300 0.039 0.000 1.451 576 I CB -0.027 37.994 38.000 0.035 0.000 1.089 576 I HN 0.561 nan 8.210 nan 0.000 0.441 577 E N 0.616 120.720 120.200 -0.159 0.000 2.070 577 E HA -0.254 4.097 4.350 0.001 0.000 0.197 577 E C 1.859 178.272 176.600 -0.312 0.000 1.004 577 E CA 1.997 58.190 56.400 -0.346 0.000 0.805 577 E CB -0.447 28.881 29.700 -0.620 0.000 0.744 577 E HN 0.510 nan 8.360 nan 0.000 0.451 578 F N 0.711 120.659 119.950 -0.005 0.000 2.134 578 F HA -0.129 4.399 4.527 0.001 0.000 0.299 578 F C 2.126 177.941 175.800 0.026 0.000 1.097 578 F CA 1.394 59.391 58.000 -0.005 0.000 1.264 578 F CB -0.653 38.346 39.000 -0.002 0.000 1.001 578 F HN 0.012 nan 8.300 nan 0.000 0.479 579 D N -1.047 119.458 120.400 0.176 0.000 2.097 579 D HA -0.268 4.373 4.640 0.001 0.000 0.195 579 D C 2.171 178.531 176.300 0.100 0.000 0.989 579 D CA 1.144 55.218 54.000 0.123 0.000 0.827 579 D CB -0.362 40.492 40.800 0.091 0.000 0.966 579 D HN 0.259 nan 8.370 nan 0.000 0.456 580 Y N 0.662 120.921 120.300 -0.068 0.000 2.102 580 Y HA -0.346 4.205 4.550 0.001 0.000 0.280 580 Y C 2.248 178.032 175.900 -0.193 0.000 1.178 580 Y CA 1.680 59.692 58.100 -0.146 0.000 1.146 580 Y CB -0.611 37.723 38.460 -0.211 0.000 0.968 580 Y HN 0.165 nan 8.280 nan 0.000 0.504 581 C N -0.958 118.378 119.300 0.061 0.000 2.432 581 C HA -0.222 4.238 4.460 0.001 0.000 0.277 581 C C 3.006 178.064 174.990 0.112 0.000 1.249 581 C CA 1.091 60.064 59.018 -0.075 0.000 1.725 581 C CB -1.705 25.829 27.740 -0.344 0.000 2.028 581 C HN 0.791 nan 8.230 nan 0.000 0.477 582 C N 0.245 119.653 119.300 0.180 0.000 2.413 582 C HA -0.093 4.368 4.460 0.001 0.000 0.277 582 C C 2.747 177.833 174.990 0.160 0.000 1.265 582 C CA 1.083 60.248 59.018 0.243 0.000 1.752 582 C CB -1.359 26.476 27.740 0.160 0.000 1.998 582 C HN 0.549 nan 8.230 nan 0.000 0.489 583 V N -0.227 119.737 119.914 0.084 0.000 2.295 583 V HA -0.267 3.854 4.120 0.001 0.000 0.246 583 V C 2.295 178.463 176.094 0.124 0.000 1.049 583 V CA 2.093 64.431 62.300 0.063 0.000 1.024 583 V CB -0.921 30.907 31.823 0.007 0.000 0.648 583 V HN 0.661 nan 8.190 nan 0.000 0.447 584 H N -0.475 118.544 119.070 -0.085 0.000 2.387 584 H HA -0.135 4.422 4.556 0.001 0.000 0.299 584 H C 2.330 177.687 175.328 0.049 0.000 1.090 584 H CA 1.120 57.134 56.048 -0.058 0.000 1.332 584 H CB 0.077 29.782 29.762 -0.095 0.000 1.386 584 H HN 0.488 nan 8.280 nan 0.000 0.516 585 A N 0.384 123.361 122.820 0.263 0.000 1.877 585 A HA -0.215 4.106 4.320 0.001 0.000 0.216 585 A C 2.585 180.210 177.584 0.068 0.000 1.186 585 A CA 1.791 53.931 52.037 0.171 0.000 0.620 585 A CB -0.805 18.274 19.000 0.131 0.000 0.822 585 A HN 0.400 nan 8.150 nan 0.000 0.443 586 S N -0.259 115.481 115.700 0.067 0.000 2.359 586 S HA -0.143 4.328 4.470 0.001 0.000 0.224 586 S C 1.986 176.603 174.600 0.028 0.000 1.035 586 S CA 1.635 59.857 58.200 0.038 0.000 1.018 586 S CB -0.593 62.629 63.200 0.037 0.000 0.876 586 S HN 0.467 nan 8.310 nan 0.000 0.448 587 L N 1.167 122.396 121.223 0.010 0.000 2.017 587 L HA -0.028 4.313 4.340 0.001 0.000 0.208 587 L C 3.094 179.953 176.870 -0.019 0.000 1.073 587 L CA 1.276 56.101 54.840 -0.024 0.000 0.745 587 L CB -0.939 41.068 42.059 -0.087 0.000 0.894 587 L HN 0.431 nan 8.230 nan 0.000 0.432 588 A N 0.450 123.259 122.820 -0.019 0.000 1.858 588 A HA -0.161 4.159 4.320 0.001 0.000 0.216 588 A C 2.267 179.884 177.584 0.056 0.000 1.190 588 A CA 1.547 53.586 52.037 0.003 0.000 0.617 588 A CB -0.856 18.156 19.000 0.019 0.000 0.827 588 A HN 0.357 nan 8.150 nan 0.000 0.443 589 L N -1.194 120.074 121.223 0.074 0.000 2.201 589 L HA -0.132 4.209 4.340 0.001 0.000 0.212 589 L C 2.774 179.765 176.870 0.202 0.000 1.105 589 L CA 1.454 56.389 54.840 0.159 0.000 0.775 589 L CB -0.414 41.663 42.059 0.030 0.000 0.913 589 L HN 0.487 nan 8.230 nan 0.000 0.440 590 R N 0.568 121.131 120.500 0.105 0.000 2.090 590 R HA -0.203 4.137 4.340 0.001 0.000 0.228 590 R C 2.173 178.506 176.300 0.054 0.000 1.110 590 R CA 1.449 57.599 56.100 0.084 0.000 0.973 590 R CB 0.060 30.389 30.300 0.050 0.000 0.869 590 R HN 0.277 nan 8.270 nan 0.000 0.440 591 E N 0.536 120.760 120.200 0.039 0.000 2.150 591 E HA -0.173 4.178 4.350 0.001 0.000 0.193 591 E C 0.884 177.491 176.600 0.013 0.000 0.985 591 E CA 1.705 58.114 56.400 0.016 0.000 0.814 591 E CB -0.013 29.688 29.700 0.002 0.000 0.752 591 E HN 0.281 nan 8.360 nan 0.000 0.466 592 D N -0.985 119.440 120.400 0.043 0.000 2.348 592 D HA 0.062 4.703 4.640 0.001 0.000 0.216 592 D C 1.066 177.306 176.300 -0.099 0.000 0.970 592 D CA 1.176 55.182 54.000 0.010 0.000 0.889 592 D CB 0.401 41.266 40.800 0.108 0.000 0.912 592 D HN 0.396 nan 8.370 nan 0.000 0.524 593 G N -1.013 107.749 108.800 -0.064 0.000 2.184 593 G HA2 -0.257 3.703 3.960 0.001 0.000 0.206 593 G HA3 -0.257 3.703 3.960 0.001 0.000 0.206 593 G C -0.068 174.756 174.900 -0.128 0.000 0.995 593 G CA -0.487 44.543 45.100 -0.116 0.000 0.651 593 G HN 0.241 nan 8.290 nan 0.000 0.511 594 Y N 0.939 121.236 120.300 -0.004 0.000 2.326 594 Y HA 0.487 5.038 4.550 0.001 0.000 0.333 594 Y C 0.967 176.866 175.900 -0.001 0.000 1.240 594 Y CA -0.137 57.960 58.100 -0.004 0.000 1.365 594 Y CB 0.732 39.189 38.460 -0.006 0.000 1.289 594 Y HN 0.207 nan 8.280 nan 0.000 0.548 595 E N 1.680 121.990 120.200 0.184 0.000 2.105 595 E HA 0.157 4.507 4.350 0.001 0.000 0.285 595 E C -0.819 175.839 176.600 0.096 0.000 1.055 595 E CA -0.560 55.902 56.400 0.104 0.000 0.843 595 E CB 0.477 30.220 29.700 0.070 0.000 1.067 595 E HN 0.665 nan 8.360 nan 0.000 0.398 596 T N 2.702 117.301 114.554 0.076 0.000 2.771 596 T HA 0.478 4.828 4.350 0.001 0.000 0.291 596 T C 0.130 174.860 174.700 0.050 0.000 0.954 596 T CA -0.670 61.462 62.100 0.053 0.000 1.045 596 T CB 0.362 69.257 68.868 0.045 0.000 0.917 596 T HN 0.331 nan 8.240 nan 0.000 0.484 597 I N 3.669 124.269 120.570 0.051 0.000 2.389 597 I HA 0.419 4.590 4.170 0.001 0.000 0.288 597 I C -0.273 175.891 176.117 0.078 0.000 0.999 597 I CA -1.010 60.342 61.300 0.086 0.000 1.129 597 I CB 1.874 39.953 38.000 0.133 0.000 1.288 597 I HN 0.558 nan 8.210 nan 0.000 0.444 598 M N 7.789 127.442 119.600 0.089 0.000 2.238 598 M HA 0.516 4.996 4.480 0.001 0.000 0.350 598 M C -1.345 175.016 176.300 0.102 0.000 1.138 598 M CA -0.359 54.980 55.300 0.065 0.000 1.040 598 M CB 1.473 34.092 32.600 0.033 0.000 1.639 598 M HN 0.310 nan 8.290 nan 0.000 0.451 599 V N 5.764 125.712 119.914 0.057 0.000 2.349 599 V HA 0.664 4.785 4.120 0.001 0.000 0.284 599 V C -0.609 175.467 176.094 -0.031 0.000 1.014 599 V CA -0.551 61.779 62.300 0.049 0.000 0.826 599 V CB 0.890 32.725 31.823 0.019 0.000 1.009 599 V HN 0.942 nan 8.190 nan 0.000 0.431 600 N N 2.559 121.190 118.700 -0.115 0.000 2.961 600 N HA 0.490 5.230 4.740 0.001 0.000 0.245 600 N C -0.283 174.896 175.510 -0.551 0.000 1.404 600 N CA -0.247 52.663 53.050 -0.233 0.000 0.880 600 N CB 1.992 40.367 38.487 -0.187 0.000 1.461 600 N HN 0.617 nan 8.380 nan 0.000 0.510 601 C N -0.419 118.547 119.300 -0.556 0.000 3.486 601 C HA 0.520 4.981 4.460 0.001 0.000 0.264 601 C C 0.090 174.835 174.990 -0.410 0.000 1.756 601 C CA -0.976 57.538 59.018 -0.839 0.000 1.764 601 C CB -1.527 26.057 27.740 -0.261 0.000 3.238 601 C HN 0.577 nan 8.230 nan 0.000 0.524 602 N N 3.318 121.836 118.700 -0.303 0.000 2.406 602 N HA 0.294 5.035 4.740 0.001 0.000 0.251 602 N C -1.177 174.326 175.510 -0.013 0.000 1.069 602 N CA -1.975 51.016 53.050 -0.098 0.000 0.947 602 N CB 1.530 39.967 38.487 -0.085 0.000 1.111 602 N HN 0.290 nan 8.380 nan 0.000 0.497 603 P HA -0.024 nan 4.420 nan 0.000 0.233 603 P C 0.286 177.524 177.300 -0.104 0.000 1.167 603 P CA 0.951 64.140 63.100 0.149 0.000 0.770 603 P CB 0.528 32.307 31.700 0.131 0.000 0.837 604 E N -0.176 119.959 120.200 -0.109 0.000 2.385 604 E HA 0.004 4.355 4.350 0.001 0.000 0.194 604 E C 0.820 177.318 176.600 -0.169 0.000 1.013 604 E CA 0.415 56.723 56.400 -0.154 0.000 0.866 604 E CB 0.036 29.681 29.700 -0.091 0.000 0.832 604 E HN 0.363 nan 8.360 nan 0.000 0.500 605 T N -2.594 111.868 114.554 -0.152 0.000 2.902 605 T HA 0.188 4.539 4.350 0.001 0.000 0.280 605 T C 1.302 175.969 174.700 -0.055 0.000 0.992 605 T CA -0.783 61.277 62.100 -0.067 0.000 1.015 605 T CB 1.814 70.661 68.868 -0.035 0.000 1.044 605 T HN -0.238 nan 8.240 nan 0.000 0.520 606 V N 1.697 121.665 119.914 0.090 0.000 2.667 606 V HA -0.127 3.994 4.120 0.001 0.000 0.252 606 V C 3.014 179.135 176.094 0.045 0.000 1.065 606 V CA 1.963 64.350 62.300 0.145 0.000 1.083 606 V CB -1.060 30.837 31.823 0.123 0.000 0.692 606 V HN 1.100 nan 8.190 nan 0.000 0.468 607 S N 1.037 116.742 115.700 0.010 0.000 2.399 607 S HA -0.188 4.282 4.470 0.001 0.000 0.231 607 S C 1.789 176.363 174.600 -0.043 0.000 1.022 607 S CA 1.675 59.869 58.200 -0.010 0.000 0.983 607 S CB -0.817 62.379 63.200 -0.006 0.000 0.803 607 S HN 0.709 nan 8.310 nan 0.000 0.480 608 T N -0.932 113.580 114.554 -0.070 0.000 3.235 608 T HA 0.212 4.563 4.350 0.001 0.000 0.251 608 T C -0.070 174.582 174.700 -0.079 0.000 1.060 608 T CA -0.334 61.734 62.100 -0.053 0.000 0.949 608 T CB -0.309 68.559 68.868 0.000 0.000 1.020 608 T HN 0.267 nan 8.240 nan 0.000 0.564 609 D N 1.540 121.890 120.400 -0.083 0.000 2.295 609 D HA 0.089 4.729 4.640 0.001 0.000 0.248 609 D C 1.164 177.334 176.300 -0.217 0.000 1.154 609 D CA -0.936 52.994 54.000 -0.117 0.000 0.857 609 D CB 0.751 41.579 40.800 0.047 0.000 1.117 609 D HN 0.438 nan 8.370 nan 0.000 0.468 610 Y N 2.253 122.476 120.300 -0.127 0.000 2.298 610 Y HA -0.165 4.386 4.550 0.001 0.000 0.287 610 Y C 1.223 177.097 175.900 -0.042 0.000 1.164 610 Y CA 1.104 59.119 58.100 -0.141 0.000 1.229 610 Y CB -0.517 37.853 38.460 -0.150 0.000 0.977 610 Y HN 0.248 nan 8.280 nan 0.000 0.538 611 D N 0.073 120.356 120.400 -0.194 0.000 2.348 611 D HA -0.078 4.563 4.640 0.001 0.000 0.216 611 D C 1.643 177.936 176.300 -0.013 0.000 0.970 611 D CA 1.418 55.401 54.000 -0.028 0.000 0.889 611 D CB -0.174 40.569 40.800 -0.095 0.000 0.912 611 D HN 0.522 nan 8.370 nan 0.000 0.524 612 T N -0.271 114.264 114.554 -0.031 0.000 2.995 612 T HA -0.016 4.334 4.350 0.001 0.000 0.269 612 T C 1.178 175.885 174.700 0.011 0.000 1.091 612 T CA 0.575 62.669 62.100 -0.009 0.000 1.128 612 T CB 0.204 69.067 68.868 -0.008 0.000 0.891 612 T HN 0.221 nan 8.240 nan 0.000 0.492 613 S N -0.312 115.401 115.700 0.022 0.000 2.685 613 S HA 0.426 4.896 4.470 0.001 0.000 0.282 613 S C -0.120 174.503 174.600 0.039 0.000 1.159 613 S CA -0.928 57.290 58.200 0.030 0.000 0.833 613 S CB 1.623 64.840 63.200 0.028 0.000 1.151 613 S HN -0.099 nan 8.310 nan 0.000 0.485 614 D N 0.640 121.062 120.400 0.037 0.000 2.123 614 D HA 0.089 4.729 4.640 0.001 0.000 0.200 614 D C 0.203 176.514 176.300 0.018 0.000 0.976 614 D CA 1.152 55.172 54.000 0.033 0.000 0.831 614 D CB 0.095 40.916 40.800 0.035 0.000 0.974 614 D HN 0.440 nan 8.370 nan 0.000 0.469 615 R N 0.023 120.526 120.500 0.006 0.000 2.574 615 R HA 0.479 4.820 4.340 0.001 0.000 0.288 615 R C -1.278 174.988 176.300 -0.056 0.000 1.004 615 R CA -0.771 55.294 56.100 -0.058 0.000 0.895 615 R CB 2.386 32.632 30.300 -0.090 0.000 1.191 615 R HN -0.090 nan 8.270 nan 0.000 0.444 616 L N 2.767 123.935 121.223 -0.091 0.000 2.333 616 L HA 0.477 4.817 4.340 0.001 0.000 0.280 616 L C -1.677 175.185 176.870 -0.013 0.000 1.004 616 L CA -0.538 54.298 54.840 -0.007 0.000 0.820 616 L CB 1.035 43.088 42.059 -0.010 0.000 1.247 616 L HN 0.527 nan 8.230 nan 0.000 0.416 617 Y N 5.225 125.603 120.300 0.131 0.000 2.369 617 Y HA 0.337 4.887 4.550 0.001 0.000 0.337 617 Y C -0.460 175.579 175.900 0.232 0.000 0.961 617 Y CA -0.157 58.052 58.100 0.183 0.000 1.186 617 Y CB 1.168 39.667 38.460 0.066 0.000 1.139 617 Y HN 0.569 nan 8.280 nan 0.000 0.494 618 F N 4.852 125.020 119.950 0.363 0.000 2.605 618 F HA 0.278 4.806 4.527 0.001 0.000 0.352 618 F C -0.093 175.852 175.800 0.242 0.000 1.236 618 F CA -0.134 58.039 58.000 0.288 0.000 1.267 618 F CB -0.306 38.922 39.000 0.381 0.000 1.632 618 F HN 0.437 nan 8.300 nan 0.000 0.639 619 E N 3.988 124.302 120.200 0.190 0.000 2.378 619 E HA 0.408 4.758 4.350 0.001 0.000 0.265 619 E C -2.672 173.967 176.600 0.066 0.000 0.932 619 E CA -2.370 54.147 56.400 0.194 0.000 0.795 619 E CB 1.355 31.181 29.700 0.209 0.000 1.296 619 E HN 0.071 nan 8.360 nan 0.000 0.438 620 P HA 0.046 nan 4.420 nan 0.000 0.268 620 P C -0.023 177.289 177.300 0.020 0.000 1.204 620 P CA -0.069 63.055 63.100 0.040 0.000 0.768 620 P CB 0.366 32.099 31.700 0.055 0.000 0.842 621 V N 3.559 123.469 119.914 -0.007 0.000 2.008 621 V HA 0.133 4.254 4.120 0.001 0.000 0.262 621 V C 1.000 177.089 176.094 -0.008 0.000 1.580 621 V CA 0.175 62.467 62.300 -0.014 0.000 1.515 621 V CB -1.238 30.566 31.823 -0.032 0.000 1.474 621 V HN 0.676 nan 8.190 nan 0.000 0.504 622 T N -0.821 113.736 114.554 0.006 0.000 2.930 622 T HA 0.541 4.892 4.350 0.001 0.000 0.290 622 T C 0.718 175.424 174.700 0.009 0.000 1.052 622 T CA -0.676 61.429 62.100 0.008 0.000 1.017 622 T CB 2.155 71.036 68.868 0.022 0.000 1.137 622 T HN 0.087 nan 8.240 nan 0.000 0.511 623 L N 0.742 121.969 121.223 0.007 0.000 2.042 623 L HA 0.042 4.383 4.340 0.001 0.000 0.210 623 L C 2.623 179.505 176.870 0.020 0.000 1.076 623 L CA 2.236 57.080 54.840 0.007 0.000 0.749 623 L CB -0.817 41.245 42.059 0.004 0.000 0.893 623 L HN 0.991 nan 8.230 nan 0.000 0.432 624 E N -0.466 119.754 120.200 0.034 0.000 2.033 624 E HA -0.274 4.077 4.350 0.001 0.000 0.199 624 E C 1.730 178.370 176.600 0.068 0.000 1.011 624 E CA 1.980 58.414 56.400 0.055 0.000 0.815 624 E CB -0.217 29.524 29.700 0.068 0.000 0.755 624 E HN 0.642 nan 8.360 nan 0.000 0.451 625 D N -0.005 120.433 120.400 0.065 0.000 2.117 625 D HA -0.137 4.503 4.640 0.001 0.000 0.197 625 D C 2.163 178.483 176.300 0.033 0.000 0.987 625 D CA 1.222 55.266 54.000 0.074 0.000 0.829 625 D CB -0.017 40.836 40.800 0.089 0.000 0.961 625 D HN 0.175 nan 8.370 nan 0.000 0.460 626 V N 1.625 121.541 119.914 0.004 0.000 2.427 626 V HA -0.181 3.939 4.120 0.001 0.000 0.248 626 V C 2.633 178.701 176.094 -0.044 0.000 1.051 626 V CA 0.937 63.213 62.300 -0.040 0.000 1.048 626 V CB -0.399 31.403 31.823 -0.035 0.000 0.666 626 V HN 0.174 nan 8.190 nan 0.000 0.456 627 L N -0.485 120.734 121.223 -0.006 0.000 2.093 627 L HA -0.120 4.221 4.340 0.001 0.000 0.208 627 L C 2.727 179.603 176.870 0.009 0.000 1.085 627 L CA 1.198 56.038 54.840 -0.000 0.000 0.755 627 L CB -0.586 41.487 42.059 0.024 0.000 0.904 627 L HN 0.305 nan 8.230 nan 0.000 0.435 628 E N 0.290 120.522 120.200 0.053 0.000 2.153 628 E HA -0.189 4.161 4.350 0.001 0.000 0.194 628 E C 2.209 178.821 176.600 0.019 0.000 0.988 628 E CA 1.258 57.721 56.400 0.105 0.000 0.811 628 E CB -0.141 29.678 29.700 0.199 0.000 0.746 628 E HN 0.549 nan 8.360 nan 0.000 0.466 629 I N 0.070 120.564 120.570 -0.126 0.000 2.286 629 I HA -0.189 3.982 4.170 0.001 0.000 0.245 629 I C 2.336 178.288 176.117 -0.276 0.000 1.104 629 I CA 0.442 61.495 61.300 -0.410 0.000 1.397 629 I CB -0.101 37.502 38.000 -0.662 0.000 1.072 629 I HN -0.089 nan 8.210 nan 0.000 0.417 630 V N 0.872 120.686 119.914 -0.166 0.000 2.343 630 V HA -0.277 3.844 4.120 0.001 0.000 0.247 630 V C 2.625 178.669 176.094 -0.083 0.000 1.051 630 V CA 1.785 64.019 62.300 -0.111 0.000 1.036 630 V CB -0.784 30.994 31.823 -0.075 0.000 0.654 630 V HN 0.413 nan 8.190 nan 0.000 0.451 631 R N 0.477 120.934 120.500 -0.070 0.000 2.133 631 R HA -0.208 4.133 4.340 0.001 0.000 0.247 631 R C 2.174 178.432 176.300 -0.070 0.000 1.151 631 R CA 2.472 58.535 56.100 -0.062 0.000 0.971 631 R CB -0.247 30.018 30.300 -0.058 0.000 0.866 631 R HN 0.744 nan 8.270 nan 0.000 0.447 632 I N -3.531 116.991 120.570 -0.080 0.000 3.708 632 I HA 0.102 4.273 4.170 0.001 0.000 0.302 632 I C 1.106 177.190 176.117 -0.055 0.000 1.255 632 I CA 0.344 61.607 61.300 -0.061 0.000 1.362 632 I CB -0.045 37.931 38.000 -0.041 0.000 1.100 632 I HN -0.034 nan 8.210 nan 0.000 0.434 633 E N 2.202 122.355 120.200 -0.077 0.000 2.170 633 E HA -0.017 4.334 4.350 0.001 0.000 0.191 633 E C 0.043 176.626 176.600 -0.028 0.000 0.981 633 E CA 0.164 56.539 56.400 -0.042 0.000 0.830 633 E CB 0.018 29.690 29.700 -0.046 0.000 0.775 633 E HN 0.472 nan 8.360 nan 0.000 0.470 634 K N 1.399 121.776 120.400 -0.039 0.000 3.451 634 K HA -0.148 4.173 4.320 0.001 0.000 0.273 634 K C -2.395 174.195 176.600 -0.016 0.000 0.944 634 K CA 0.123 56.394 56.287 -0.027 0.000 0.734 634 K CB -1.283 31.206 32.500 -0.018 0.000 1.437 634 K HN 0.225 nan 8.250 nan 0.000 0.454 635 P HA -0.043 nan 4.420 nan 0.000 0.273 635 P C 0.494 177.789 177.300 -0.010 0.000 1.250 635 P CA -0.176 62.916 63.100 -0.013 0.000 0.793 635 P CB 0.833 32.515 31.700 -0.029 0.000 1.011 636 K N -0.091 120.310 120.400 0.001 0.000 2.062 636 K HA 0.081 4.401 4.320 0.001 0.000 0.205 636 K C 0.791 177.374 176.600 -0.028 0.000 1.051 636 K CA 1.211 57.500 56.287 0.004 0.000 0.941 636 K CB -0.323 32.202 32.500 0.042 0.000 0.719 636 K HN 0.700 nan 8.250 nan 0.000 0.440 637 G N -0.571 108.194 108.800 -0.059 0.000 2.677 637 G HA2 0.480 4.441 3.960 0.001 0.000 0.291 637 G HA3 0.480 4.441 3.960 0.001 0.000 0.291 637 G C -1.913 172.930 174.900 -0.095 0.000 1.435 637 G CA -0.693 44.357 45.100 -0.082 0.000 0.826 637 G HN -0.039 nan 8.290 nan 0.000 0.491 638 V N 1.435 121.294 119.914 -0.091 0.000 2.483 638 V HA 0.428 4.548 4.120 0.001 0.000 0.297 638 V C -0.114 175.915 176.094 -0.108 0.000 1.027 638 V CA -0.611 61.635 62.300 -0.091 0.000 0.855 638 V CB 1.575 33.357 31.823 -0.068 0.000 0.995 638 V HN 0.657 nan 8.190 nan 0.000 0.424 639 I N 5.365 125.853 120.570 -0.136 0.000 2.312 639 I HA 0.203 4.373 4.170 0.001 0.000 0.291 639 I C 0.949 177.001 176.117 -0.108 0.000 1.031 639 I CA -0.083 61.110 61.300 -0.178 0.000 1.293 639 I CB 1.676 39.495 38.000 -0.301 0.000 1.403 639 I HN 0.632 nan 8.210 nan 0.000 0.484 640 V N 2.223 122.093 119.914 -0.073 0.000 3.605 640 V HA 0.102 4.223 4.120 0.001 0.000 0.284 640 V C 1.237 177.343 176.094 0.020 0.000 1.386 640 V CA 0.148 62.432 62.300 -0.027 0.000 1.053 640 V CB 0.038 31.844 31.823 -0.028 0.000 0.857 640 V HN 0.714 nan 8.190 nan 0.000 0.436 641 Q N -0.530 119.299 119.800 0.048 0.000 2.432 641 Q HA 0.198 4.539 4.340 0.001 0.000 0.205 641 Q C 1.397 177.645 176.000 0.413 0.000 0.945 641 Q CA 1.072 56.979 55.803 0.173 0.000 0.924 641 Q CB -0.211 28.626 28.738 0.165 0.000 1.016 641 Q HN 0.749 nan 8.270 nan 0.000 0.503 642 Y N -1.402 118.933 120.300 0.058 0.000 2.458 642 Y HA 0.368 4.919 4.550 0.001 0.000 0.254 642 Y C 1.846 177.841 175.900 0.159 0.000 1.120 642 Y CA -0.108 58.064 58.100 0.120 0.000 1.282 642 Y CB 0.287 38.800 38.460 0.088 0.000 1.109 642 Y HN 0.084 nan 8.280 nan 0.000 0.526 643 G N -0.541 108.387 108.800 0.213 0.000 3.284 643 G HA2 0.422 4.382 3.960 0.001 0.000 0.236 643 G HA3 0.422 4.382 3.960 0.001 0.000 0.236 643 G C 0.967 175.805 174.900 -0.103 0.000 1.158 643 G CA 0.416 45.579 45.100 0.104 0.000 0.774 643 G HN 0.558 nan 8.290 nan 0.000 0.545 644 G N 0.192 108.821 108.800 -0.285 0.000 2.553 644 G HA2 -0.300 3.660 3.960 0.001 0.000 0.242 644 G HA3 -0.300 3.660 3.960 0.001 0.000 0.242 644 G C 0.903 175.588 174.900 -0.359 0.000 1.277 644 G CA 0.259 44.908 45.100 -0.751 0.000 0.910 644 G HN 0.158 nan 8.290 nan 0.000 0.576 645 Q N -0.463 119.120 119.800 -0.362 0.000 2.061 645 Q HA -0.108 4.233 4.340 0.001 0.000 0.204 645 Q C 3.012 178.931 176.000 -0.134 0.000 0.984 645 Q CA 2.657 58.337 55.803 -0.204 0.000 0.846 645 Q CB -1.259 27.375 28.738 -0.174 0.000 0.902 645 Q HN 0.775 nan 8.270 nan 0.000 0.421 646 T N 2.050 116.527 114.554 -0.129 0.000 2.565 646 T HA -0.162 4.188 4.350 0.001 0.000 0.265 646 T C -0.997 173.665 174.700 -0.064 0.000 1.082 646 T CA 2.297 64.347 62.100 -0.083 0.000 1.173 646 T CB -1.281 67.543 68.868 -0.074 0.000 0.864 646 T HN 0.294 nan 8.240 nan 0.000 0.425 647 P HA 0.086 nan 4.420 nan 0.000 0.218 647 P C 1.739 179.015 177.300 -0.040 0.000 1.152 647 P CA 0.610 63.686 63.100 -0.041 0.000 0.826 647 P CB -0.220 31.465 31.700 -0.025 0.000 0.790 648 L N 0.004 121.196 121.223 -0.051 0.000 2.042 648 L HA -0.135 4.206 4.340 0.001 0.000 0.210 648 L C 2.341 179.186 176.870 -0.042 0.000 1.076 648 L CA 1.961 56.775 54.840 -0.044 0.000 0.749 648 L CB -0.736 41.289 42.059 -0.056 0.000 0.893 648 L HN -0.181 nan 8.230 nan 0.000 0.432 649 K N -0.916 119.455 120.400 -0.048 0.000 2.362 649 K HA -0.079 4.242 4.320 0.001 0.000 0.200 649 K C 1.784 178.365 176.600 -0.031 0.000 1.046 649 K CA 0.868 57.131 56.287 -0.040 0.000 0.952 649 K CB -0.032 32.441 32.500 -0.044 0.000 0.753 649 K HN 0.355 nan 8.250 nan 0.000 0.466 650 L N -0.435 120.771 121.223 -0.030 0.000 2.477 650 L HA 0.077 4.417 4.340 0.001 0.000 0.220 650 L C 2.300 179.157 176.870 -0.022 0.000 1.106 650 L CA 0.073 54.898 54.840 -0.024 0.000 0.851 650 L CB -0.420 41.624 42.059 -0.023 0.000 0.994 650 L HN 0.111 nan 8.230 nan 0.000 0.462 651 A N 1.157 123.963 122.820 -0.024 0.000 1.893 651 A HA -0.340 3.981 4.320 0.001 0.000 0.222 651 A C 2.394 179.967 177.584 -0.019 0.000 1.309 651 A CA 2.410 54.434 52.037 -0.022 0.000 0.681 651 A CB -0.689 18.299 19.000 -0.021 0.000 0.842 651 A HN 0.347 nan 8.150 nan 0.000 0.468 652 R N -1.191 119.299 120.500 -0.017 0.000 2.083 652 R HA -0.102 4.238 4.340 0.001 0.000 0.237 652 R C 2.533 178.825 176.300 -0.013 0.000 1.137 652 R CA 1.356 57.448 56.100 -0.014 0.000 0.951 652 R CB -0.461 29.831 30.300 -0.013 0.000 0.851 652 R HN 0.580 nan 8.270 nan 0.000 0.434 653 A N 0.802 123.614 122.820 -0.013 0.000 1.930 653 A HA -0.099 4.221 4.320 0.001 0.000 0.217 653 A C 2.130 179.707 177.584 -0.011 0.000 1.175 653 A CA 1.004 53.035 52.037 -0.011 0.000 0.627 653 A CB -0.398 18.596 19.000 -0.010 0.000 0.815 653 A HN 0.183 nan 8.150 nan 0.000 0.443 654 L N -0.938 120.276 121.223 -0.014 0.000 2.017 654 L HA -0.200 4.141 4.340 0.001 0.000 0.208 654 L C 2.641 179.501 176.870 -0.016 0.000 1.073 654 L CA 1.826 56.656 54.840 -0.016 0.000 0.745 654 L CB -0.530 41.515 42.059 -0.023 0.000 0.894 654 L HN 0.547 nan 8.230 nan 0.000 0.432 655 E N 0.320 120.511 120.200 -0.016 0.000 2.038 655 E HA -0.286 4.065 4.350 0.001 0.000 0.195 655 E C 2.218 178.812 176.600 -0.011 0.000 1.000 655 E CA 1.433 57.825 56.400 -0.014 0.000 0.803 655 E CB -0.062 29.630 29.700 -0.013 0.000 0.750 655 E HN 0.459 nan 8.360 nan 0.000 0.448 656 A N 0.882 123.697 122.820 -0.009 0.000 1.940 656 A HA -0.093 4.227 4.320 0.001 0.000 0.219 656 A C 2.242 179.822 177.584 -0.006 0.000 1.176 656 A CA 1.696 53.729 52.037 -0.007 0.000 0.631 656 A CB -0.577 18.419 19.000 -0.007 0.000 0.814 656 A HN 0.382 nan 8.150 nan 0.000 0.446 657 A N -1.896 120.920 122.820 -0.006 0.000 2.235 657 A HA 0.398 4.719 4.320 0.001 0.000 0.208 657 A C 1.738 179.318 177.584 -0.006 0.000 1.172 657 A CA 1.243 53.278 52.037 -0.004 0.000 0.786 657 A CB -0.971 18.028 19.000 -0.002 0.000 0.804 657 A HN 1.907 nan 8.150 nan 0.000 0.479 658 G N -1.859 106.936 108.800 -0.008 0.000 2.159 658 G HA2 -0.185 3.775 3.960 0.001 0.000 0.227 658 G HA3 -0.185 3.775 3.960 0.001 0.000 0.227 658 G C 0.143 175.034 174.900 -0.015 0.000 0.986 658 G CA -0.005 45.089 45.100 -0.010 0.000 0.651 658 G HN 0.746 nan 8.290 nan 0.000 0.523 659 V N 2.270 122.173 119.914 -0.018 0.000 2.637 659 V HA 0.404 4.524 4.120 0.001 0.000 0.296 659 V C -1.214 174.864 176.094 -0.026 0.000 1.046 659 V CA -0.747 61.538 62.300 -0.025 0.000 1.066 659 V CB 1.260 33.066 31.823 -0.029 0.000 0.968 659 V HN 0.233 nan 8.190 nan 0.000 0.483 660 P HA 0.210 nan 4.420 nan 0.000 0.247 660 P C -0.466 176.810 177.300 -0.040 0.000 1.756 660 P CA -0.166 62.916 63.100 -0.029 0.000 1.117 660 P CB 0.361 32.045 31.700 -0.028 0.000 1.869 661 V N 5.411 125.303 119.914 -0.037 0.000 2.521 661 V HA 0.087 4.207 4.120 0.001 0.000 0.286 661 V C 1.263 177.328 176.094 -0.048 0.000 1.034 661 V CA -0.175 62.098 62.300 -0.045 0.000 1.045 661 V CB 0.115 31.917 31.823 -0.036 0.000 0.974 661 V HN 0.377 nan 8.190 nan 0.000 0.480 662 I N 2.364 122.893 120.570 -0.069 0.000 2.924 662 I HA 1.017 5.188 4.170 0.001 0.000 0.316 662 I C 0.711 176.787 176.117 -0.068 0.000 1.014 662 I CA -0.127 61.131 61.300 -0.070 0.000 1.106 662 I CB 1.320 39.263 38.000 -0.096 0.000 1.311 662 I HN 0.879 nan 8.210 nan 0.000 0.502 663 G N 2.004 110.773 108.800 -0.051 0.000 2.693 663 G HA2 -0.188 3.773 3.960 0.001 0.000 0.226 663 G HA3 -0.188 3.773 3.960 0.001 0.000 0.226 663 G C -0.130 174.765 174.900 -0.009 0.000 1.354 663 G CA -0.338 44.742 45.100 -0.033 0.000 0.873 663 G HN 1.010 nan 8.290 nan 0.000 0.562 664 T N 0.906 115.466 114.554 0.009 0.000 2.819 664 T HA 0.340 4.691 4.350 0.001 0.000 0.282 664 T C 1.384 176.089 174.700 0.008 0.000 1.013 664 T CA 1.092 63.203 62.100 0.018 0.000 1.159 664 T CB 0.330 69.215 68.868 0.028 0.000 1.007 664 T HN 1.908 nan 8.240 nan 0.000 0.514 665 S N 4.754 120.460 115.700 0.010 0.000 2.569 665 S HA 0.078 4.549 4.470 0.001 0.000 0.274 665 S C -1.372 173.229 174.600 0.002 0.000 1.353 665 S CA -1.141 57.062 58.200 0.005 0.000 1.023 665 S CB 0.556 63.762 63.200 0.010 0.000 0.876 665 S HN 0.356 nan 8.310 nan 0.000 0.540 666 P HA -0.014 nan 4.420 nan 0.000 0.216 666 P C 0.931 178.229 177.300 -0.003 0.000 1.153 666 P CA 1.305 64.401 63.100 -0.006 0.000 0.844 666 P CB -0.108 31.586 31.700 -0.010 0.000 0.787 667 D N -0.698 119.703 120.400 0.001 0.000 2.117 667 D HA -0.138 4.503 4.640 0.001 0.000 0.197 667 D C 1.943 178.250 176.300 0.011 0.000 0.987 667 D CA 1.348 55.350 54.000 0.004 0.000 0.829 667 D CB -0.476 40.327 40.800 0.005 0.000 0.961 667 D HN -0.080 nan 8.370 nan 0.000 0.460 668 A N 0.347 123.176 122.820 0.016 0.000 1.865 668 A HA -0.195 4.126 4.320 0.001 0.000 0.217 668 A C 2.353 179.948 177.584 0.019 0.000 1.191 668 A CA 1.521 53.573 52.037 0.025 0.000 0.623 668 A CB -1.024 17.993 19.000 0.029 0.000 0.826 668 A HN 0.377 nan 8.150 nan 0.000 0.444 669 I N -0.440 120.135 120.570 0.008 0.000 2.151 669 I HA -0.311 3.859 4.170 0.001 0.000 0.243 669 I C 2.300 178.409 176.117 -0.012 0.000 1.080 669 I CA 2.102 63.399 61.300 -0.005 0.000 1.339 669 I CB -0.471 37.525 38.000 -0.007 0.000 1.039 669 I HN 0.400 nan 8.210 nan 0.000 0.409 670 D N 0.385 120.781 120.400 -0.007 0.000 2.144 670 D HA -0.171 4.470 4.640 0.001 0.000 0.199 670 D C 2.347 178.648 176.300 0.003 0.000 0.984 670 D CA 1.104 55.098 54.000 -0.008 0.000 0.834 670 D CB 0.062 40.858 40.800 -0.008 0.000 0.955 670 D HN 0.084 nan 8.370 nan 0.000 0.465 671 R N -0.241 120.270 120.500 0.019 0.000 2.080 671 R HA -0.140 4.201 4.340 0.001 0.000 0.236 671 R C 2.249 178.597 176.300 0.080 0.000 1.137 671 R CA 1.428 57.557 56.100 0.049 0.000 0.943 671 R CB -0.364 29.973 30.300 0.062 0.000 0.846 671 R HN 0.197 nan 8.270 nan 0.000 0.431 672 A N 1.176 124.022 122.820 0.042 0.000 1.877 672 A HA -0.170 4.151 4.320 0.001 0.000 0.216 672 A C 1.944 179.427 177.584 -0.168 0.000 1.186 672 A CA 1.388 53.402 52.037 -0.039 0.000 0.620 672 A CB -0.335 18.618 19.000 -0.080 0.000 0.822 672 A HN 0.312 nan 8.150 nan 0.000 0.443 673 E N 0.560 120.699 120.200 -0.103 0.000 2.031 673 E HA -0.141 4.210 4.350 0.001 0.000 0.193 673 E C 0.433 176.993 176.600 -0.067 0.000 0.994 673 E CA 0.674 57.009 56.400 -0.109 0.000 0.800 673 E CB -0.587 29.069 29.700 -0.075 0.000 0.752 673 E HN 0.661 nan 8.360 nan 0.000 0.447 674 D N 1.475 121.865 120.400 -0.016 0.000 2.412 674 D HA -0.072 4.569 4.640 0.001 0.000 0.257 674 D C 1.257 177.604 176.300 0.078 0.000 1.217 674 D CA -0.093 53.916 54.000 0.016 0.000 0.897 674 D CB 0.740 41.544 40.800 0.008 0.000 1.132 674 D HN -0.013 nan 8.370 nan 0.000 0.493 675 R N 4.268 124.817 120.500 0.082 0.000 2.113 675 R HA -0.222 4.118 4.340 0.001 0.000 0.244 675 R C 1.624 178.045 176.300 0.203 0.000 1.142 675 R CA 1.234 57.428 56.100 0.156 0.000 0.953 675 R CB -0.784 29.576 30.300 0.100 0.000 0.860 675 R HN 0.594 nan 8.270 nan 0.000 0.438 676 E N 0.566 120.841 120.200 0.124 0.000 2.007 676 E HA -0.107 4.244 4.350 0.001 0.000 0.194 676 E C 2.358 179.021 176.600 0.105 0.000 0.999 676 E CA 0.861 57.332 56.400 0.118 0.000 0.811 676 E CB -0.028 29.677 29.700 0.007 0.000 0.762 676 E HN 0.239 nan 8.360 nan 0.000 0.450 677 R N 0.007 120.487 120.500 -0.033 0.000 2.143 677 R HA -0.223 4.118 4.340 0.001 0.000 0.239 677 R C 2.374 178.771 176.300 0.161 0.000 1.126 677 R CA 1.768 57.842 56.100 -0.043 0.000 0.927 677 R CB -0.952 29.354 30.300 0.010 0.000 0.860 677 R HN 0.237 nan 8.270 nan 0.000 0.433 678 F N 2.041 122.020 119.950 0.049 0.000 2.091 678 F HA -0.292 4.236 4.527 0.001 0.000 0.299 678 F C 2.707 178.569 175.800 0.104 0.000 1.103 678 F CA 2.125 60.161 58.000 0.061 0.000 1.228 678 F CB -0.559 38.458 39.000 0.029 0.000 0.984 678 F HN 0.115 nan 8.300 nan 0.000 0.477 679 Q N -1.001 118.865 119.800 0.109 0.000 2.135 679 Q HA -0.279 4.062 4.340 0.001 0.000 0.204 679 Q C 2.036 177.996 176.000 -0.067 0.000 0.981 679 Q CA 2.141 57.928 55.803 -0.028 0.000 0.856 679 Q CB -0.268 28.528 28.738 0.096 0.000 0.902 679 Q HN 0.585 nan 8.270 nan 0.000 0.425 680 H N -0.530 118.493 119.070 -0.080 0.000 2.357 680 H HA -0.023 4.534 4.556 0.001 0.000 0.301 680 H C 1.830 177.108 175.328 -0.084 0.000 1.082 680 H CA 1.538 57.550 56.048 -0.059 0.000 1.342 680 H CB -0.320 29.433 29.762 -0.015 0.000 1.389 680 H HN 0.429 nan 8.280 nan 0.000 0.511 681 A N 0.313 123.150 122.820 0.028 0.000 1.841 681 A HA -0.121 4.199 4.320 0.001 0.000 0.214 681 A C 2.625 180.136 177.584 -0.121 0.000 1.195 681 A CA 1.613 53.633 52.037 -0.029 0.000 0.611 681 A CB -0.958 18.045 19.000 0.006 0.000 0.835 681 A HN 0.221 nan 8.150 nan 0.000 0.443 682 V N 0.153 119.889 119.914 -0.296 0.000 2.313 682 V HA -0.371 3.750 4.120 0.001 0.000 0.253 682 V C 2.467 178.455 176.094 -0.176 0.000 1.070 682 V CA 2.651 64.764 62.300 -0.311 0.000 1.057 682 V CB -0.941 30.553 31.823 -0.548 0.000 0.653 682 V HN 0.679 nan 8.190 nan 0.000 0.450 683 E N -0.077 120.022 120.200 -0.169 0.000 2.012 683 E HA -0.274 4.077 4.350 0.001 0.000 0.197 683 E C 2.439 178.987 176.600 -0.086 0.000 1.007 683 E CA 1.790 58.114 56.400 -0.128 0.000 0.816 683 E CB -0.335 29.270 29.700 -0.158 0.000 0.762 683 E HN 0.597 nan 8.360 nan 0.000 0.451 684 R N 0.702 121.162 120.500 -0.066 0.000 2.211 684 R HA -0.157 4.184 4.340 0.001 0.000 0.240 684 R C 1.750 178.035 176.300 -0.025 0.000 1.144 684 R CA 1.236 57.316 56.100 -0.033 0.000 0.992 684 R CB -0.251 30.045 30.300 -0.006 0.000 0.869 684 R HN 0.249 nan 8.270 nan 0.000 0.462 685 L N 0.355 121.556 121.223 -0.036 0.000 2.529 685 L HA 0.153 4.494 4.340 0.001 0.000 0.223 685 L C 0.122 176.976 176.870 -0.027 0.000 1.113 685 L CA 0.091 54.919 54.840 -0.020 0.000 0.861 685 L CB 0.091 42.141 42.059 -0.015 0.000 1.012 685 L HN 0.117 nan 8.230 nan 0.000 0.461 686 K N 1.200 121.573 120.400 -0.046 0.000 3.619 686 K HA -0.151 4.169 4.320 0.001 0.000 0.275 686 K C -0.860 175.711 176.600 -0.049 0.000 0.993 686 K CA 0.437 56.694 56.287 -0.048 0.000 0.787 686 K CB -1.327 31.150 32.500 -0.039 0.000 1.431 686 K HN 0.216 nan 8.250 nan 0.000 0.451 687 L N 0.083 121.271 121.223 -0.059 0.000 2.303 687 L HA 0.450 4.790 4.340 0.001 0.000 0.266 687 L C 0.583 177.411 176.870 -0.069 0.000 1.011 687 L CA -1.239 53.571 54.840 -0.051 0.000 0.818 687 L CB 1.502 43.547 42.059 -0.023 0.000 1.326 687 L HN 0.034 nan 8.230 nan 0.000 0.435 688 K N 2.228 122.583 120.400 -0.075 0.000 2.339 688 K HA 0.256 4.577 4.320 0.001 0.000 0.286 688 K C -0.799 175.806 176.600 0.007 0.000 1.050 688 K CA 0.054 56.277 56.287 -0.106 0.000 0.956 688 K CB 1.197 33.503 32.500 -0.324 0.000 0.990 688 K HN 0.505 nan 8.250 nan 0.000 0.475 689 Q N 3.802 123.637 119.800 0.059 0.000 2.268 689 Q HA 0.297 4.638 4.340 0.001 0.000 0.266 689 Q C -2.485 173.614 176.000 0.165 0.000 1.006 689 Q CA -1.910 53.961 55.803 0.113 0.000 0.824 689 Q CB 2.114 30.859 28.738 0.011 0.000 1.306 689 Q HN 0.338 nan 8.270 nan 0.000 0.424 690 P HA -0.011 nan 4.420 nan 0.000 0.265 690 P C -0.918 176.444 177.300 0.103 0.000 1.187 690 P CA 0.065 63.253 63.100 0.146 0.000 0.766 690 P CB 0.353 32.100 31.700 0.078 0.000 0.820 691 A N 3.401 126.276 122.820 0.092 0.000 2.566 691 A HA 0.193 4.514 4.320 0.001 0.000 0.245 691 A C 0.567 178.178 177.584 0.044 0.000 1.056 691 A CA 0.278 52.341 52.037 0.043 0.000 0.757 691 A CB -1.211 17.785 19.000 -0.007 0.000 0.979 691 A HN 0.795 nan 8.150 nan 0.000 0.508 692 N N 0.431 119.148 118.700 0.028 0.000 2.329 692 N HA 0.774 5.514 4.740 0.001 0.000 0.282 692 N C -0.892 174.631 175.510 0.022 0.000 1.198 692 N CA -0.251 52.817 53.050 0.030 0.000 0.790 692 N CB 2.005 40.520 38.487 0.048 0.000 1.579 692 N HN 0.794 nan 8.380 nan 0.000 0.475 693 A N 0.169 123.004 122.820 0.025 0.000 2.556 693 A HA 0.792 5.112 4.320 0.001 0.000 0.294 693 A C -1.191 176.417 177.584 0.041 0.000 1.091 693 A CA -0.734 51.319 52.037 0.027 0.000 0.704 693 A CB 1.676 20.687 19.000 0.018 0.000 1.300 693 A HN 0.615 nan 8.150 nan 0.000 0.406 694 T N 1.511 116.092 114.554 0.044 0.000 2.977 694 T HA 0.484 4.835 4.350 0.001 0.000 0.346 694 T C -0.300 174.431 174.700 0.053 0.000 1.140 694 T CA -0.223 61.909 62.100 0.053 0.000 1.040 694 T CB 0.401 69.300 68.868 0.052 0.000 1.046 694 T HN 0.488 nan 8.240 nan 0.000 0.494 695 V N 3.006 122.962 119.914 0.071 0.000 2.904 695 V HA 0.414 4.535 4.120 0.001 0.000 0.305 695 V C 1.201 177.337 176.094 0.069 0.000 1.067 695 V CA -0.266 62.075 62.300 0.068 0.000 1.044 695 V CB 1.694 33.575 31.823 0.096 0.000 1.050 695 V HN 0.968 nan 8.190 nan 0.000 0.475 696 T N 0.015 114.590 114.554 0.035 0.000 3.174 696 T HA 0.431 4.782 4.350 0.001 0.000 0.252 696 T C 0.386 175.083 174.700 -0.005 0.000 0.984 696 T CA 0.582 62.698 62.100 0.028 0.000 1.113 696 T CB 0.390 69.267 68.868 0.014 0.000 1.088 696 T HN 0.803 nan 8.240 nan 0.000 0.442 697 A N 0.584 123.369 122.820 -0.057 0.000 2.337 697 A HA 0.719 5.040 4.320 0.001 0.000 0.331 697 A C 0.834 178.255 177.584 -0.272 0.000 1.137 697 A CA -0.683 51.276 52.037 -0.131 0.000 0.807 697 A CB 0.496 19.442 19.000 -0.090 0.000 1.250 697 A HN 0.124 nan 8.150 nan 0.000 0.468 698 I N 1.100 121.408 120.570 -0.438 0.000 2.148 698 I HA -0.299 3.872 4.170 0.001 0.000 0.229 698 I C 2.288 178.176 176.117 -0.380 0.000 0.993 698 I CA 1.989 62.874 61.300 -0.691 0.000 1.295 698 I CB -0.666 37.057 38.000 -0.462 0.000 1.004 698 I HN 0.739 nan 8.210 nan 0.000 0.386 699 E N -0.012 120.065 120.200 -0.205 0.000 2.208 699 E HA -0.309 4.041 4.350 0.001 0.000 0.202 699 E C 2.138 178.695 176.600 -0.071 0.000 1.014 699 E CA 1.666 58.006 56.400 -0.100 0.000 0.819 699 E CB -0.581 29.080 29.700 -0.065 0.000 0.735 699 E HN 0.586 nan 8.360 nan 0.000 0.469 700 M N -0.139 119.408 119.600 -0.089 0.000 2.159 700 M HA -0.131 4.349 4.480 0.001 0.000 0.263 700 M C 2.094 178.381 176.300 -0.022 0.000 1.063 700 M CA 1.684 56.955 55.300 -0.048 0.000 1.110 700 M CB -0.018 32.553 32.600 -0.048 0.000 1.374 700 M HN 0.082 nan 8.290 nan 0.000 0.411 701 A N -0.526 122.269 122.820 -0.042 0.000 1.968 701 A HA -0.049 4.272 4.320 0.001 0.000 0.217 701 A C 1.955 179.587 177.584 0.081 0.000 1.169 701 A CA 1.303 53.368 52.037 0.047 0.000 0.638 701 A CB -0.851 18.229 19.000 0.134 0.000 0.812 701 A HN 0.408 nan 8.150 nan 0.000 0.446 702 V N 0.263 120.216 119.914 0.065 0.000 2.332 702 V HA -0.246 3.875 4.120 0.001 0.000 0.248 702 V C 2.571 178.729 176.094 0.106 0.000 1.055 702 V CA 2.403 64.776 62.300 0.122 0.000 1.038 702 V CB -0.739 31.135 31.823 0.085 0.000 0.651 702 V HN 0.685 nan 8.190 nan 0.000 0.450 703 E N 0.693 120.926 120.200 0.056 0.000 2.046 703 E HA -0.177 4.173 4.350 0.001 0.000 0.190 703 E C 2.099 178.720 176.600 0.035 0.000 0.982 703 E CA 1.270 57.696 56.400 0.043 0.000 0.800 703 E CB -0.249 29.464 29.700 0.021 0.000 0.756 703 E HN 0.322 nan 8.360 nan 0.000 0.449 704 K N 0.312 120.727 120.400 0.025 0.000 2.057 704 K HA 0.106 4.427 4.320 0.001 0.000 0.206 704 K C 1.865 178.455 176.600 -0.016 0.000 1.050 704 K CA 1.273 57.565 56.287 0.009 0.000 0.935 704 K CB -0.830 31.679 32.500 0.016 0.000 0.715 704 K HN 0.189 nan 8.250 nan 0.000 0.439 705 A N 0.820 123.629 122.820 -0.019 0.000 1.873 705 A HA -0.267 4.053 4.320 0.001 0.000 0.218 705 A C 2.067 179.578 177.584 -0.121 0.000 1.193 705 A CA 2.275 54.218 52.037 -0.157 0.000 0.629 705 A CB -0.590 18.357 19.000 -0.088 0.000 0.826 705 A HN 0.301 nan 8.150 nan 0.000 0.447 706 K N -0.494 119.946 120.400 0.067 0.000 2.059 706 K HA -0.222 4.098 4.320 0.001 0.000 0.212 706 K C 2.108 178.734 176.600 0.043 0.000 1.050 706 K CA 2.072 58.433 56.287 0.124 0.000 0.927 706 K CB -0.203 32.365 32.500 0.113 0.000 0.714 706 K HN 0.681 nan 8.250 nan 0.000 0.447 707 E N 0.081 120.286 120.200 0.009 0.000 2.031 707 E HA -0.173 4.178 4.350 0.001 0.000 0.193 707 E C 2.015 178.590 176.600 -0.042 0.000 0.994 707 E CA 1.315 57.709 56.400 -0.011 0.000 0.800 707 E CB -0.040 29.654 29.700 -0.010 0.000 0.752 707 E HN 0.254 nan 8.360 nan 0.000 0.447 708 I N 0.045 120.576 120.570 -0.065 0.000 2.226 708 I HA -0.117 4.054 4.170 0.001 0.000 0.245 708 I C 1.036 177.068 176.117 -0.142 0.000 1.100 708 I CA 0.849 62.095 61.300 -0.090 0.000 1.374 708 I CB -0.316 37.636 38.000 -0.080 0.000 1.057 708 I HN 0.250 nan 8.210 nan 0.000 0.413 709 G N -0.114 108.607 108.800 -0.133 0.000 2.895 709 G HA2 -0.212 3.748 3.960 0.001 0.000 0.686 709 G HA3 -0.212 3.748 3.960 0.001 0.000 0.686 709 G C -0.865 174.079 174.900 0.074 0.000 1.108 709 G CA -0.909 44.153 45.100 -0.064 0.000 0.761 709 G HN 0.085 nan 8.290 nan 0.000 0.611 710 Y N 2.404 122.820 120.300 0.193 0.000 2.320 710 Y HA 0.574 5.125 4.550 0.001 0.000 0.324 710 Y C -0.871 175.181 175.900 0.252 0.000 1.190 710 Y CA -1.444 56.762 58.100 0.176 0.000 1.215 710 Y CB 0.942 39.470 38.460 0.112 0.000 1.221 710 Y HN 0.561 nan 8.280 nan 0.000 0.486 711 P HA 0.283 nan 4.420 nan 0.000 0.275 711 P C -1.121 176.118 177.300 -0.101 0.000 1.266 711 P CA -0.360 62.737 63.100 -0.004 0.000 0.793 711 P CB 1.228 32.704 31.700 -0.373 0.000 1.074 712 L N -0.423 120.689 121.223 -0.185 0.000 2.388 712 L HA 0.449 4.789 4.340 0.001 0.000 0.264 712 L C -0.927 175.809 176.870 -0.224 0.000 0.998 712 L CA -1.203 53.526 54.840 -0.185 0.000 0.817 712 L CB 2.480 44.393 42.059 -0.243 0.000 1.338 712 L HN -0.013 nan 8.230 nan 0.000 0.414 713 V N 3.880 123.707 119.914 -0.144 0.000 2.328 713 V HA 0.248 4.369 4.120 0.001 0.000 0.278 713 V C -0.234 175.767 176.094 -0.155 0.000 1.021 713 V CA -0.454 61.757 62.300 -0.148 0.000 0.838 713 V CB 1.667 33.472 31.823 -0.029 0.000 0.999 713 V HN 0.402 nan 8.190 nan 0.000 0.447 714 V N 6.799 126.564 119.914 -0.248 0.000 2.218 714 V HA 0.368 4.489 4.120 0.001 0.000 0.261 714 V C 0.692 176.691 176.094 -0.157 0.000 1.142 714 V CA -0.561 61.590 62.300 -0.247 0.000 0.965 714 V CB 0.067 31.587 31.823 -0.505 0.000 1.190 714 V HN 0.725 nan 8.190 nan 0.000 0.478 715 R N 4.009 124.468 120.500 -0.069 0.000 2.539 715 R HA 0.517 4.858 4.340 0.001 0.000 0.275 715 R C -2.002 174.304 176.300 0.011 0.000 1.077 715 R CA -0.294 55.791 56.100 -0.024 0.000 1.097 715 R CB 1.120 31.415 30.300 -0.007 0.000 1.018 715 R HN 0.532 nan 8.270 nan 0.000 0.483 725 M N 1.444 121.036 119.600 -0.014 0.000 2.322 725 M HA 0.538 5.019 4.480 0.001 0.000 0.286 725 M C -0.836 175.407 176.300 -0.094 0.000 1.111 725 M CA -0.126 55.145 55.300 -0.048 0.000 0.941 725 M CB 2.507 35.091 32.600 -0.026 0.000 1.671 725 M HN 0.963 nan 8.290 nan 0.000 0.470 726 E N 3.292 123.373 120.200 -0.197 0.000 2.408 726 E HA 0.715 5.066 4.350 0.001 0.000 0.275 726 E C -1.860 174.527 176.600 -0.356 0.000 0.935 726 E CA -0.648 55.591 56.400 -0.268 0.000 0.775 726 E CB 2.145 31.663 29.700 -0.302 0.000 1.277 726 E HN 0.669 nan 8.360 nan 0.000 0.455 727 I N 3.046 123.411 120.570 -0.342 0.000 2.406 727 I HA 0.384 4.555 4.170 0.001 0.000 0.290 727 I C -0.757 175.147 176.117 -0.356 0.000 0.999 727 I CA -1.222 59.817 61.300 -0.435 0.000 1.124 727 I CB 1.688 39.306 38.000 -0.637 0.000 1.289 727 I HN 0.334 nan 8.210 nan 0.000 0.441 728 V N 5.352 125.069 119.914 -0.330 0.000 2.630 728 V HA 0.291 4.412 4.120 0.001 0.000 0.305 728 V C -0.204 175.838 176.094 -0.087 0.000 1.046 728 V CA -0.376 61.853 62.300 -0.117 0.000 0.934 728 V CB 1.568 33.373 31.823 -0.030 0.000 1.003 728 V HN 0.607 nan 8.190 nan 0.000 0.451 729 Y N 0.619 120.982 120.300 0.105 0.000 2.558 729 Y HA 0.206 4.757 4.550 0.001 0.000 0.273 729 Y C 0.874 176.768 175.900 -0.011 0.000 1.100 729 Y CA 0.071 58.242 58.100 0.119 0.000 1.276 729 Y CB 0.502 38.980 38.460 0.029 0.000 1.196 729 Y HN 0.872 nan 8.280 nan 0.000 0.527 730 D N -1.371 118.996 120.400 -0.056 0.000 2.636 730 D HA 0.104 4.745 4.640 0.001 0.000 0.275 730 D C 0.756 176.758 176.300 -0.497 0.000 1.130 730 D CA -0.558 53.121 54.000 -0.534 0.000 1.031 730 D CB 0.661 41.289 40.800 -0.287 0.000 1.451 730 D HN 0.074 nan 8.370 nan 0.000 0.505 731 E N 0.243 120.138 120.200 -0.509 0.000 2.033 731 E HA -0.274 4.077 4.350 0.001 0.000 0.199 731 E C 1.899 178.523 176.600 0.040 0.000 1.011 731 E CA 2.039 58.370 56.400 -0.115 0.000 0.815 731 E CB -0.469 29.198 29.700 -0.055 0.000 0.755 731 E HN 0.484 nan 8.360 nan 0.000 0.451 732 A N 0.899 123.718 122.820 -0.001 0.000 1.873 732 A HA -0.314 4.006 4.320 0.001 0.000 0.218 732 A C 2.045 179.680 177.584 0.085 0.000 1.193 732 A CA 2.273 54.335 52.037 0.041 0.000 0.629 732 A CB -1.267 17.741 19.000 0.013 0.000 0.826 732 A HN 0.505 nan 8.150 nan 0.000 0.447 733 D N -1.021 119.420 120.400 0.068 0.000 2.149 733 D HA -0.188 4.453 4.640 0.001 0.000 0.194 733 D C 1.750 178.155 176.300 0.176 0.000 1.001 733 D CA 1.467 55.533 54.000 0.109 0.000 0.849 733 D CB -0.165 40.702 40.800 0.111 0.000 0.939 733 D HN 0.294 nan 8.370 nan 0.000 0.449 734 L N 1.152 122.516 121.223 0.235 0.000 1.989 734 L HA -0.182 4.159 4.340 0.001 0.000 0.211 734 L C 2.049 179.181 176.870 0.435 0.000 1.071 734 L CA 1.740 56.785 54.840 0.342 0.000 0.749 734 L CB -0.736 41.595 42.059 0.454 0.000 0.890 734 L HN 0.043 nan 8.230 nan 0.000 0.431 735 R N -0.639 120.073 120.500 0.353 0.000 2.122 735 R HA -0.251 4.090 4.340 0.001 0.000 0.236 735 R C 2.257 178.728 176.300 0.285 0.000 1.129 735 R CA 1.682 57.976 56.100 0.324 0.000 0.925 735 R CB -1.118 29.285 30.300 0.171 0.000 0.850 735 R HN 0.363 nan 8.270 nan 0.000 0.431 736 R N 0.108 120.720 120.500 0.186 0.000 2.259 736 R HA -0.322 4.019 4.340 0.001 0.000 0.247 736 R C 2.321 178.695 176.300 0.123 0.000 1.114 736 R CA 2.600 58.778 56.100 0.131 0.000 0.926 736 R CB -0.894 29.479 30.300 0.122 0.000 0.937 736 R HN 0.424 nan 8.270 nan 0.000 0.434 737 Y N -0.072 120.230 120.300 0.003 0.000 2.097 737 Y HA -0.284 4.267 4.550 0.002 0.000 0.282 737 Y C 2.176 178.008 175.900 -0.114 0.000 1.152 737 Y CA 2.094 60.133 58.100 -0.102 0.000 1.136 737 Y CB -0.615 37.709 38.460 -0.226 0.000 0.975 737 Y HN 0.063 nan 8.280 nan 0.000 0.498 738 F N 1.151 121.098 119.950 -0.004 0.000 2.147 738 F HA -0.336 4.192 4.527 0.001 0.000 0.301 738 F C 2.667 178.379 175.800 -0.147 0.000 1.084 738 F CA 2.123 60.065 58.000 -0.097 0.000 1.268 738 F CB -0.978 38.047 39.000 0.040 0.000 1.009 738 F HN 0.287 nan 8.300 nan 0.000 0.486 739 Q N 0.181 120.027 119.800 0.075 0.000 1.917 739 Q HA -0.233 4.107 4.340 0.001 0.000 0.205 739 Q C 2.449 178.408 176.000 -0.069 0.000 0.988 739 Q CA 3.005 58.820 55.803 0.019 0.000 0.851 739 Q CB -0.560 28.192 28.738 0.022 0.000 0.916 739 Q HN 0.448 nan 8.270 nan 0.000 0.424 740 T N -0.281 114.204 114.554 -0.117 0.000 2.653 740 T HA -0.177 4.174 4.350 0.001 0.000 0.268 740 T C 1.090 175.644 174.700 -0.243 0.000 1.035 740 T CA 1.052 63.060 62.100 -0.153 0.000 1.154 740 T CB -1.110 67.683 68.868 -0.126 0.000 0.862 740 T HN 0.556 nan 8.240 nan 0.000 0.441 751 L N 5.396 126.654 121.223 0.059 0.000 2.416 751 L HA 0.453 4.794 4.340 0.001 0.000 0.272 751 L C -0.563 176.324 176.870 0.029 0.000 1.161 751 L CA 0.176 55.043 54.840 0.045 0.000 0.845 751 L CB 0.816 42.896 42.059 0.036 0.000 1.119 751 L HN 0.437 nan 8.230 nan 0.000 0.464 752 L N 3.567 124.807 121.223 0.028 0.000 2.325 752 L HA 0.480 4.821 4.340 0.001 0.000 0.281 752 L C -0.988 175.885 176.870 0.005 0.000 1.004 752 L CA -0.211 54.632 54.840 0.004 0.000 0.823 752 L CB 1.563 43.629 42.059 0.011 0.000 1.236 752 L HN 0.511 nan 8.230 nan 0.000 0.415 753 D N -0.066 120.329 120.400 -0.008 0.000 2.879 753 D HA 0.299 4.939 4.640 0.001 0.000 0.236 753 D C -0.920 175.397 176.300 0.029 0.000 1.171 753 D CA -0.517 53.495 54.000 0.021 0.000 0.868 753 D CB 1.350 42.166 40.800 0.027 0.000 1.598 753 D HN 0.404 nan 8.370 nan 0.000 0.497 754 H N 1.292 120.332 119.070 -0.050 0.000 2.764 754 H HA 0.234 4.791 4.556 0.001 0.000 0.341 754 H C -1.032 174.267 175.328 -0.048 0.000 1.072 754 H CA -0.144 55.864 56.048 -0.067 0.000 1.444 754 H CB 0.290 30.001 29.762 -0.084 0.000 1.458 754 H HN 0.258 nan 8.280 nan 0.000 0.572 755 F N 6.240 125.797 119.950 -0.654 0.000 2.421 755 F HA 0.252 4.780 4.527 0.001 0.000 0.358 755 F C -0.956 174.451 175.800 -0.656 0.000 1.115 755 F CA -0.923 56.755 58.000 -0.537 0.000 1.160 755 F CB 0.148 38.876 39.000 -0.453 0.000 1.123 755 F HN 0.506 nan 8.300 nan 0.000 0.508 756 L N 6.771 127.192 121.223 -1.338 0.000 2.385 756 L HA 0.152 4.493 4.340 0.001 0.000 0.285 756 L C 0.367 176.468 176.870 -1.281 0.000 1.125 756 L CA -0.172 54.021 54.840 -1.078 0.000 0.890 756 L CB -0.430 41.192 42.059 -0.728 0.000 1.251 756 L HN 0.550 nan 8.230 nan 0.000 0.445 757 D N 2.681 122.567 120.400 -0.857 0.000 2.361 757 D HA -0.059 4.582 4.640 0.001 0.000 0.239 757 D C 0.599 176.768 176.300 -0.219 0.000 1.200 757 D CA 0.062 53.837 54.000 -0.375 0.000 0.915 757 D CB 0.645 41.416 40.800 -0.050 0.000 1.170 757 D HN 0.496 nan 8.370 nan 0.000 0.444 758 D N -0.775 119.593 120.400 -0.053 0.000 2.755 758 D HA -0.212 4.429 4.640 0.001 0.000 0.228 758 D C -0.424 175.837 176.300 -0.065 0.000 1.172 758 D CA 0.719 54.705 54.000 -0.024 0.000 0.630 758 D CB -0.916 39.882 40.800 -0.004 0.000 1.040 758 D HN 0.339 nan 8.370 nan 0.000 0.418 759 A N -0.222 122.533 122.820 -0.110 0.000 2.325 759 A HA 0.582 4.903 4.320 0.001 0.000 0.333 759 A C 0.180 177.738 177.584 -0.043 0.000 1.155 759 A CA -0.580 51.393 52.037 -0.107 0.000 0.814 759 A CB 1.767 20.644 19.000 -0.205 0.000 1.206 759 A HN 0.037 nan 8.150 nan 0.000 0.482 760 V N 2.220 122.115 119.914 -0.031 0.000 2.385 760 V HA 0.218 4.339 4.120 0.001 0.000 0.269 760 V C 0.435 176.514 176.094 -0.025 0.000 1.043 760 V CA -0.261 62.033 62.300 -0.010 0.000 0.906 760 V CB 0.909 32.714 31.823 -0.030 0.000 0.995 760 V HN 0.983 nan 8.190 nan 0.000 0.467 761 E N 4.121 124.298 120.200 -0.039 0.000 2.283 761 E HA 0.557 4.907 4.350 0.001 0.000 0.278 761 E C -1.307 174.998 176.600 -0.492 0.000 1.027 761 E CA -0.348 55.933 56.400 -0.198 0.000 0.843 761 E CB 1.540 31.182 29.700 -0.097 0.000 1.062 761 E HN 0.488 nan 8.360 nan 0.000 0.401 762 V N 4.157 123.871 119.914 -0.333 0.000 2.789 762 V HA 0.307 4.428 4.120 0.001 0.000 0.311 762 V C -0.637 175.417 176.094 -0.065 0.000 1.073 762 V CA -0.917 61.259 62.300 -0.205 0.000 0.921 762 V CB 2.152 33.992 31.823 0.029 0.000 1.009 762 V HN 0.754 nan 8.190 nan 0.000 0.426 763 D N 1.816 122.241 120.400 0.042 0.000 2.362 763 D HA 0.657 5.298 4.640 0.001 0.000 0.247 763 D C -1.334 175.069 176.300 0.172 0.000 1.050 763 D CA -0.057 54.033 54.000 0.149 0.000 0.839 763 D CB 2.512 43.470 40.800 0.264 0.000 1.283 763 D HN 0.297 nan 8.370 nan 0.000 0.477 764 V N 3.134 123.141 119.914 0.154 0.000 2.525 764 V HA 0.255 4.376 4.120 0.001 0.000 0.299 764 V C -0.527 175.625 176.094 0.098 0.000 1.034 764 V CA -0.948 61.444 62.300 0.153 0.000 0.863 764 V CB 2.163 34.121 31.823 0.224 0.000 0.999 764 V HN 0.398 nan 8.190 nan 0.000 0.423 765 D N 3.697 124.147 120.400 0.084 0.000 2.193 765 D HA 0.811 5.452 4.640 0.001 0.000 0.244 765 D C -0.021 176.304 176.300 0.042 0.000 1.064 765 D CA 0.153 54.186 54.000 0.055 0.000 0.845 765 D CB 2.517 43.346 40.800 0.048 0.000 1.148 765 D HN 0.804 nan 8.370 nan 0.000 0.464 766 A N 2.128 124.965 122.820 0.030 0.000 2.583 766 A HA 0.799 5.120 4.320 0.001 0.000 0.289 766 A C -1.335 176.259 177.584 0.016 0.000 1.151 766 A CA -0.657 51.391 52.037 0.018 0.000 0.695 766 A CB 1.387 20.389 19.000 0.003 0.000 1.290 766 A HN 0.491 nan 8.150 nan 0.000 0.419 767 I N -0.098 120.478 120.570 0.010 0.000 2.569 767 I HA 0.492 4.663 4.170 0.001 0.000 0.290 767 I C -0.989 175.127 176.117 -0.001 0.000 1.088 767 I CA -0.506 60.806 61.300 0.020 0.000 1.047 767 I CB 1.891 39.916 38.000 0.042 0.000 1.237 767 I HN 0.684 nan 8.210 nan 0.000 0.421 768 C N 4.986 124.286 119.300 0.000 0.000 2.441 768 C HA 0.505 4.965 4.460 0.001 0.000 0.318 768 C C 0.179 175.205 174.990 0.059 0.000 1.222 768 C CA -0.399 58.617 59.018 -0.003 0.000 1.474 768 C CB 0.906 28.593 27.740 -0.090 0.000 2.125 768 C HN 0.938 nan 8.230 nan 0.000 0.479 769 D N 1.958 122.420 120.400 0.104 0.000 2.462 769 D HA 0.283 4.923 4.640 0.001 0.000 0.221 769 D C 1.381 177.763 176.300 0.136 0.000 1.173 769 D CA 0.530 54.592 54.000 0.104 0.000 0.831 769 D CB -0.050 40.800 40.800 0.083 0.000 1.001 769 D HN 1.377 nan 8.370 nan 0.000 0.499 770 G N 0.325 109.256 108.800 0.218 0.000 2.212 770 G HA2 -0.397 3.564 3.960 0.001 0.000 0.266 770 G HA3 -0.397 3.564 3.960 0.001 0.000 0.266 770 G C 0.883 175.881 174.900 0.163 0.000 0.978 770 G CA 0.620 45.855 45.100 0.225 0.000 0.632 770 G HN 0.466 nan 8.290 nan 0.000 0.537 771 E N -1.153 119.157 120.200 0.184 0.000 2.399 771 E HA 0.486 4.837 4.350 0.001 0.000 0.206 771 E C 1.088 177.783 176.600 0.159 0.000 0.812 771 E CA 0.618 57.071 56.400 0.088 0.000 1.138 771 E CB 0.294 30.035 29.700 0.069 0.000 1.140 771 E HN 0.731 nan 8.360 nan 0.000 0.536 772 M N -0.834 118.936 119.600 0.284 0.000 2.683 772 M HA 0.516 4.997 4.480 0.001 0.000 0.274 772 M C -1.908 174.541 176.300 0.249 0.000 1.272 772 M CA -0.863 54.620 55.300 0.304 0.000 0.833 772 M CB 2.489 35.179 32.600 0.151 0.000 1.708 772 M HN -0.273 nan 8.290 nan 0.000 0.463 773 V N 2.559 122.562 119.914 0.149 0.000 2.487 773 V HA 0.569 4.690 4.120 0.001 0.000 0.298 773 V C -1.270 174.830 176.094 0.010 0.000 1.028 773 V CA -0.661 61.628 62.300 -0.018 0.000 0.860 773 V CB 1.689 33.392 31.823 -0.200 0.000 0.991 773 V HN 0.784 nan 8.190 nan 0.000 0.427 774 L N 6.550 127.776 121.223 0.005 0.000 2.280 774 L HA 0.586 4.927 4.340 0.001 0.000 0.287 774 L C -0.378 176.495 176.870 0.006 0.000 1.023 774 L CA -0.122 54.726 54.840 0.013 0.000 0.819 774 L CB 0.875 42.946 42.059 0.021 0.000 1.212 774 L HN 0.419 nan 8.230 nan 0.000 0.420 775 I N 5.580 126.154 120.570 0.006 0.000 2.505 775 I HA 0.137 4.308 4.170 0.001 0.000 0.287 775 I C 1.412 177.535 176.117 0.010 0.000 1.104 775 I CA 0.378 61.684 61.300 0.011 0.000 1.387 775 I CB 0.310 38.317 38.000 0.012 0.000 1.404 775 I HN 0.830 nan 8.210 nan 0.000 0.528 776 G N 5.171 113.981 108.800 0.016 0.000 2.441 776 G HA2 0.341 4.302 3.960 0.001 0.000 0.212 776 G HA3 0.341 4.302 3.960 0.001 0.000 0.212 776 G C 0.596 175.502 174.900 0.011 0.000 1.164 776 G CA 0.588 45.694 45.100 0.010 0.000 0.811 776 G HN 0.825 nan 8.290 nan 0.000 0.535 777 G N -0.656 108.166 108.800 0.036 0.000 2.716 777 G HA2 0.441 4.402 3.960 0.001 0.000 0.299 777 G HA3 0.441 4.402 3.960 0.001 0.000 0.299 777 G C -1.445 173.512 174.900 0.094 0.000 1.450 777 G CA -0.766 44.365 45.100 0.053 0.000 0.968 777 G HN 0.118 nan 8.290 nan 0.000 0.566 778 I N 2.628 123.255 120.570 0.096 0.000 2.337 778 I HA 0.295 4.466 4.170 0.001 0.000 0.285 778 I C 0.011 176.228 176.117 0.166 0.000 1.041 778 I CA -0.277 61.093 61.300 0.116 0.000 1.199 778 I CB 1.160 39.203 38.000 0.073 0.000 1.370 778 I HN 0.262 nan 8.210 nan 0.000 0.470 779 M N 5.599 125.325 119.600 0.210 0.000 2.300 779 M HA 0.325 4.806 4.480 0.001 0.000 0.348 779 M C -0.067 176.392 176.300 0.265 0.000 1.151 779 M CA -0.232 55.237 55.300 0.282 0.000 1.046 779 M CB 1.575 34.374 32.600 0.332 0.000 1.647 779 M HN 0.375 nan 8.290 nan 0.000 0.451 780 E N 2.730 123.116 120.200 0.310 0.000 2.134 780 E HA 0.223 4.573 4.350 0.001 0.000 0.278 780 E C -1.071 175.780 176.600 0.418 0.000 0.959 780 E CA -0.483 56.095 56.400 0.296 0.000 0.783 780 E CB 0.788 30.676 29.700 0.313 0.000 1.095 780 E HN 0.662 nan 8.360 nan 0.000 0.399 781 H N 3.782 122.969 119.070 0.195 0.000 2.652 781 H HA 0.034 4.591 4.556 0.001 0.000 0.349 781 H C 0.823 176.290 175.328 0.233 0.000 1.099 781 H CA -0.776 55.378 56.048 0.176 0.000 1.417 781 H CB 1.209 31.047 29.762 0.127 0.000 1.457 781 H HN 0.560 nan 8.280 nan 0.000 0.568 782 I N 1.599 122.373 120.570 0.341 0.000 2.141 782 I HA -0.157 4.014 4.170 0.001 0.000 0.236 782 I C 0.693 176.968 176.117 0.263 0.000 1.071 782 I CA 1.162 62.646 61.300 0.307 0.000 1.345 782 I CB -0.168 37.986 38.000 0.255 0.000 1.066 782 I HN 0.621 nan 8.210 nan 0.000 0.406 783 E N 2.174 122.509 120.200 0.227 0.000 2.414 783 E HA 0.019 4.369 4.350 0.001 0.000 0.263 783 E C 0.158 176.889 176.600 0.220 0.000 1.000 783 E CA -0.182 56.337 56.400 0.199 0.000 0.914 783 E CB 0.134 29.931 29.700 0.162 0.000 0.948 783 E HN 0.171 nan 8.360 nan 0.000 0.444 784 Q N 1.657 121.566 119.800 0.182 0.000 2.492 784 Q HA 0.228 4.569 4.340 0.001 0.000 0.238 784 Q C -0.370 175.737 176.000 0.178 0.000 1.045 784 Q CA -0.476 55.421 55.803 0.157 0.000 0.934 784 Q CB 0.561 29.380 28.738 0.135 0.000 1.276 784 Q HN 0.496 nan 8.270 nan 0.000 0.521 785 A N 0.227 123.121 122.820 0.124 0.000 2.546 785 A HA 0.424 4.744 4.320 0.001 0.000 0.243 785 A C 1.122 178.871 177.584 0.274 0.000 1.063 785 A CA 0.808 52.921 52.037 0.128 0.000 0.757 785 A CB -0.807 18.188 19.000 -0.009 0.000 0.991 785 A HN 1.374 nan 8.150 nan 0.000 0.503 786 G N 0.807 109.782 108.800 0.292 0.000 2.545 786 G HA2 -0.086 3.875 3.960 0.001 0.000 0.195 786 G HA3 -0.086 3.875 3.960 0.001 0.000 0.195 786 G C 0.006 174.996 174.900 0.150 0.000 1.009 786 G CA 0.015 45.292 45.100 0.295 0.000 0.703 786 G HN 1.389 nan 8.290 nan 0.000 0.479 787 V N 3.657 123.674 119.914 0.170 0.000 2.328 787 V HA 0.436 4.557 4.120 0.001 0.000 0.278 787 V C 0.749 176.948 176.094 0.175 0.000 1.021 787 V CA -1.086 61.307 62.300 0.155 0.000 0.838 787 V CB 1.098 33.010 31.823 0.148 0.000 0.999 787 V HN 0.445 nan 8.190 nan 0.000 0.447 788 H N 3.786 122.896 119.070 0.067 0.000 3.163 788 H HA -0.100 4.456 4.556 0.001 0.000 0.321 788 H C 1.678 177.022 175.328 0.025 0.000 1.006 788 H CA 1.131 57.210 56.048 0.052 0.000 1.344 788 H CB 1.118 30.893 29.762 0.023 0.000 1.272 788 H HN 0.854 nan 8.280 nan 0.000 0.594 789 S N 2.772 118.481 115.700 0.015 0.000 2.383 789 S HA -0.154 4.317 4.470 0.001 0.000 0.229 789 S C 2.299 176.920 174.600 0.036 0.000 1.030 789 S CA 0.979 59.166 58.200 -0.022 0.000 1.002 789 S CB -0.683 62.562 63.200 0.076 0.000 0.829 789 S HN 0.731 nan 8.310 nan 0.000 0.467 790 G N 1.059 110.097 108.800 0.397 0.000 2.470 790 G HA2 -0.090 3.871 3.960 0.001 0.000 0.220 790 G HA3 -0.090 3.871 3.960 0.001 0.000 0.220 790 G C 0.806 175.714 174.900 0.013 0.000 1.121 790 G CA 0.911 46.095 45.100 0.140 0.000 0.766 790 G HN 0.559 nan 8.290 nan 0.000 0.553 791 D N -0.285 120.144 120.400 0.048 0.000 2.395 791 D HA 0.186 4.827 4.640 0.001 0.000 0.213 791 D C 0.579 176.873 176.300 -0.010 0.000 1.110 791 D CA 0.019 54.022 54.000 0.004 0.000 0.835 791 D CB 0.720 41.543 40.800 0.038 0.000 0.965 791 D HN 0.103 nan 8.370 nan 0.000 0.505 792 S N 0.413 116.070 115.700 -0.072 0.000 2.616 792 S HA 0.683 5.154 4.470 0.001 0.000 0.277 792 S C 0.262 174.784 174.600 -0.130 0.000 1.234 792 S CA -0.819 57.319 58.200 -0.102 0.000 1.028 792 S CB 2.019 65.092 63.200 -0.211 0.000 0.988 792 S HN 0.202 nan 8.310 nan 0.000 0.522 793 A N 0.817 123.624 122.820 -0.022 0.000 2.322 793 A HA 0.672 4.993 4.320 0.001 0.000 0.269 793 A C 0.309 177.903 177.584 0.017 0.000 1.094 793 A CA -0.587 51.450 52.037 0.000 0.000 0.807 793 A CB -0.407 18.691 19.000 0.164 0.000 1.047 793 A HN 1.274 nan 8.150 nan 0.000 0.487 794 C N 0.019 119.310 119.300 -0.015 0.000 3.288 794 C HA 0.921 5.382 4.460 0.001 0.000 0.318 794 C C -0.347 174.733 174.990 0.150 0.000 1.356 794 C CA -0.125 58.949 59.018 0.094 0.000 1.359 794 C CB 0.982 28.773 27.740 0.086 0.000 1.688 794 C HN 1.601 nan 8.230 nan 0.000 0.467 795 S N 1.003 116.883 115.700 0.301 0.000 2.536 795 S HA 0.808 5.279 4.470 0.001 0.000 0.287 795 S C -1.508 173.369 174.600 0.462 0.000 1.101 795 S CA -0.534 57.916 58.200 0.417 0.000 0.950 795 S CB 1.603 65.073 63.200 0.450 0.000 1.056 795 S HN 1.433 nan 8.310 nan 0.000 0.481 796 L N 4.504 126.021 121.223 0.490 0.000 2.446 796 L HA 0.605 4.946 4.340 0.001 0.000 0.268 796 L C -2.670 174.327 176.870 0.212 0.000 0.975 796 L CA -2.056 52.981 54.840 0.328 0.000 0.848 796 L CB 2.403 44.633 42.059 0.286 0.000 1.225 796 L HN 0.543 nan 8.230 nan 0.000 0.410 797 P HA 0.229 nan 4.420 nan 0.000 0.279 797 P C -0.701 176.798 177.300 0.332 0.000 1.282 797 P CA -0.407 62.764 63.100 0.118 0.000 0.788 797 P CB 0.574 32.252 31.700 -0.036 0.000 1.139 798 A N 0.293 123.268 122.820 0.257 0.000 2.507 798 A HA 0.080 4.401 4.320 0.001 0.000 0.235 798 A C 0.476 178.301 177.584 0.401 0.000 1.070 798 A CA 0.300 52.520 52.037 0.305 0.000 0.768 798 A CB -0.899 18.188 19.000 0.145 0.000 1.011 798 A HN 0.792 nan 8.150 nan 0.000 0.502 799 Y N -1.059 119.291 120.300 0.084 0.000 2.481 799 Y HA 0.348 4.898 4.550 0.001 0.000 0.247 799 Y C 1.211 177.010 175.900 -0.167 0.000 1.151 799 Y CA 0.498 58.561 58.100 -0.062 0.000 1.238 799 Y CB 0.338 38.533 38.460 -0.442 0.000 1.179 799 Y HN 0.635 nan 8.280 nan 0.000 0.524 800 T N -2.081 112.114 114.554 -0.599 0.000 3.092 800 T HA 0.322 4.672 4.350 0.001 0.000 0.273 800 T C -0.086 174.445 174.700 -0.283 0.000 0.898 800 T CA -0.246 61.531 62.100 -0.539 0.000 0.868 800 T CB -0.541 67.848 68.868 -0.798 0.000 1.228 800 T HN 0.137 nan 8.240 nan 0.000 0.555 801 L N 3.759 124.869 121.223 -0.188 0.000 2.371 801 L HA 0.566 4.906 4.340 0.001 0.000 0.272 801 L C 0.882 177.701 176.870 -0.085 0.000 1.124 801 L CA -0.816 53.953 54.840 -0.118 0.000 0.816 801 L CB 1.187 43.196 42.059 -0.082 0.000 1.129 801 L HN 0.357 nan 8.230 nan 0.000 0.448 802 S N 1.174 116.824 115.700 -0.083 0.000 2.572 802 S HA 0.002 4.473 4.470 0.001 0.000 0.279 802 S C 0.710 175.276 174.600 -0.058 0.000 1.341 802 S CA -0.468 57.691 58.200 -0.067 0.000 1.043 802 S CB 1.379 64.539 63.200 -0.067 0.000 0.887 802 S HN 0.695 nan 8.310 nan 0.000 0.516 803 Q N 1.511 121.283 119.800 -0.046 0.000 2.096 803 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 803 Q C 2.082 178.051 176.000 -0.051 0.000 0.982 803 Q CA 2.451 58.229 55.803 -0.041 0.000 0.850 803 Q CB -0.501 28.217 28.738 -0.032 0.000 0.901 803 Q HN 0.991 nan 8.270 nan 0.000 0.422 804 E N -0.606 119.562 120.200 -0.053 0.000 2.070 804 E HA -0.227 4.123 4.350 0.001 0.000 0.197 804 E C 1.811 178.365 176.600 -0.075 0.000 1.004 804 E CA 1.498 57.864 56.400 -0.058 0.000 0.805 804 E CB -0.333 29.335 29.700 -0.053 0.000 0.744 804 E HN 0.441 nan 8.360 nan 0.000 0.451 805 I N 1.345 121.865 120.570 -0.084 0.000 2.315 805 I HA -0.221 3.949 4.170 0.001 0.000 0.248 805 I C 2.322 178.356 176.117 -0.139 0.000 1.117 805 I CA 1.445 62.679 61.300 -0.110 0.000 1.404 805 I CB -0.828 37.111 38.000 -0.102 0.000 1.071 805 I HN 0.337 nan 8.210 nan 0.000 0.419 806 Q N -0.204 119.530 119.800 -0.110 0.000 2.167 806 Q HA -0.199 4.142 4.340 0.001 0.000 0.202 806 Q C 1.525 177.455 176.000 -0.117 0.000 0.970 806 Q CA 1.266 57.001 55.803 -0.114 0.000 0.855 806 Q CB -0.052 28.647 28.738 -0.065 0.000 0.911 806 Q HN 0.464 nan 8.270 nan 0.000 0.438 807 D N 0.138 120.483 120.400 -0.092 0.000 2.224 807 D HA -0.081 4.560 4.640 0.001 0.000 0.205 807 D C 1.908 178.153 176.300 -0.091 0.000 0.965 807 D CA 0.612 54.568 54.000 -0.074 0.000 0.852 807 D CB 0.132 40.900 40.800 -0.053 0.000 0.947 807 D HN 0.034 nan 8.370 nan 0.000 0.494 808 V N 0.871 120.710 119.914 -0.126 0.000 2.427 808 V HA -0.205 3.916 4.120 0.001 0.000 0.248 808 V C 2.450 178.420 176.094 -0.206 0.000 1.051 808 V CA 1.199 63.414 62.300 -0.142 0.000 1.048 808 V CB -0.280 31.448 31.823 -0.159 0.000 0.666 808 V HN 0.208 nan 8.190 nan 0.000 0.456 809 M N -1.008 118.395 119.600 -0.329 0.000 2.099 809 M HA -0.151 4.330 4.480 0.001 0.000 0.262 809 M C 2.457 178.645 176.300 -0.186 0.000 1.067 809 M CA 1.742 56.704 55.300 -0.564 0.000 1.124 809 M CB -0.519 31.584 32.600 -0.829 0.000 1.353 809 M HN 0.141 nan 8.290 nan 0.000 0.410 810 R N 0.095 120.532 120.500 -0.106 0.000 2.112 810 R HA -0.208 4.133 4.340 0.001 0.000 0.242 810 R C 2.352 178.654 176.300 0.002 0.000 1.137 810 R CA 1.827 57.915 56.100 -0.021 0.000 0.944 810 R CB -0.386 29.898 30.300 -0.027 0.000 0.857 810 R HN 0.454 nan 8.270 nan 0.000 0.435 811 Q N 0.292 120.080 119.800 -0.019 0.000 2.045 811 Q HA -0.272 4.069 4.340 0.001 0.000 0.206 811 Q C 2.188 178.210 176.000 0.036 0.000 0.991 811 Q CA 1.864 57.670 55.803 0.005 0.000 0.851 811 Q CB -0.048 28.678 28.738 -0.020 0.000 0.911 811 Q HN 0.478 nan 8.270 nan 0.000 0.418 812 Q N -0.640 119.187 119.800 0.044 0.000 2.124 812 Q HA -0.142 4.198 4.340 0.001 0.000 0.202 812 Q C 2.154 178.264 176.000 0.184 0.000 0.977 812 Q CA 1.318 57.203 55.803 0.137 0.000 0.850 812 Q CB 0.089 28.952 28.738 0.208 0.000 0.901 812 Q HN 0.207 nan 8.270 nan 0.000 0.429 813 V N 0.949 120.980 119.914 0.195 0.000 2.261 813 V HA -0.340 3.781 4.120 0.001 0.000 0.246 813 V C 2.373 178.461 176.094 -0.011 0.000 1.047 813 V CA 2.317 64.696 62.300 0.132 0.000 1.015 813 V CB -0.683 31.221 31.823 0.135 0.000 0.642 813 V HN 0.496 nan 8.190 nan 0.000 0.446 814 Q N 0.070 119.843 119.800 -0.045 0.000 2.084 814 Q HA -0.271 4.069 4.340 0.001 0.000 0.202 814 Q C 2.236 178.132 176.000 -0.172 0.000 0.978 814 Q CA 2.028 57.717 55.803 -0.189 0.000 0.844 814 Q CB -0.224 28.483 28.738 -0.052 0.000 0.898 814 Q HN 0.576 nan 8.270 nan 0.000 0.426 815 K N 0.123 120.537 120.400 0.024 0.000 2.032 815 K HA -0.145 4.175 4.320 0.001 0.000 0.209 815 K C 2.153 178.797 176.600 0.074 0.000 1.048 815 K CA 1.693 58.041 56.287 0.102 0.000 0.927 815 K CB -0.146 32.410 32.500 0.093 0.000 0.712 815 K HN 0.245 nan 8.250 nan 0.000 0.441 816 L N 0.334 121.579 121.223 0.038 0.000 2.056 816 L HA -0.181 4.160 4.340 0.001 0.000 0.207 816 L C 2.535 179.404 176.870 -0.001 0.000 1.078 816 L CA 1.221 56.088 54.840 0.046 0.000 0.749 816 L CB -0.573 41.528 42.059 0.069 0.000 0.901 816 L HN 0.199 nan 8.230 nan 0.000 0.433 817 A N 0.214 122.958 122.820 -0.126 0.000 1.884 817 A HA -0.259 4.061 4.320 0.001 0.000 0.219 817 A C 2.050 179.547 177.584 -0.145 0.000 1.197 817 A CA 2.089 53.991 52.037 -0.226 0.000 0.637 817 A CB -0.935 17.772 19.000 -0.488 0.000 0.827 817 A HN 0.303 nan 8.150 nan 0.000 0.450 818 F N -0.316 119.661 119.950 0.046 0.000 2.084 818 F HA -0.054 4.473 4.527 0.001 0.000 0.296 818 F C 2.359 178.181 175.800 0.037 0.000 1.111 818 F CA 1.463 59.485 58.000 0.037 0.000 1.224 818 F CB -1.133 37.885 39.000 0.031 0.000 0.991 818 F HN 0.356 nan 8.300 nan 0.000 0.471 819 E N 0.865 121.201 120.200 0.227 0.000 2.097 819 E HA -0.205 4.146 4.350 0.001 0.000 0.196 819 E C 1.822 178.490 176.600 0.113 0.000 1.000 819 E CA 1.566 58.052 56.400 0.144 0.000 0.804 819 E CB -0.594 29.172 29.700 0.110 0.000 0.740 819 E HN 0.466 nan 8.360 nan 0.000 0.454 820 L N 0.016 121.299 121.223 0.101 0.000 2.558 820 L HA 0.114 4.455 4.340 0.001 0.000 0.225 820 L C 0.350 177.266 176.870 0.078 0.000 1.128 820 L CA 0.263 55.153 54.840 0.084 0.000 0.868 820 L CB -0.147 41.959 42.059 0.079 0.000 1.006 820 L HN 0.147 nan 8.230 nan 0.000 0.454 821 Q N 0.157 120.019 119.800 0.103 0.000 2.464 821 Q HA -0.158 4.183 4.340 0.001 0.000 0.304 821 Q C -0.472 175.573 176.000 0.076 0.000 1.401 821 Q CA 0.049 55.916 55.803 0.107 0.000 0.806 821 Q CB -1.763 27.024 28.738 0.082 0.000 1.134 821 Q HN 0.197 nan 8.270 nan 0.000 0.411 822 V N 1.628 121.576 119.914 0.057 0.000 2.555 822 V HA 0.182 4.303 4.120 0.001 0.000 0.286 822 V C 0.706 176.828 176.094 0.046 0.000 1.044 822 V CA 0.325 62.646 62.300 0.035 0.000 1.026 822 V CB 1.152 32.977 31.823 0.002 0.000 0.981 822 V HN 0.204 nan 8.190 nan 0.000 0.480 823 R N 3.953 124.479 120.500 0.043 0.000 2.422 823 R HA 0.652 4.993 4.340 0.001 0.000 0.307 823 R C 0.385 176.711 176.300 0.043 0.000 1.004 823 R CA 0.343 56.470 56.100 0.044 0.000 0.882 823 R CB 1.027 31.348 30.300 0.035 0.000 1.164 823 R HN 1.077 nan 8.270 nan 0.000 0.489 824 G N 1.792 110.625 108.800 0.056 0.000 2.443 824 G HA2 -0.209 3.752 3.960 0.001 0.000 0.209 824 G HA3 -0.209 3.752 3.960 0.001 0.000 0.209 824 G C -0.964 173.995 174.900 0.097 0.000 1.176 824 G CA -0.900 44.251 45.100 0.086 0.000 1.074 824 G HN 0.371 nan 8.290 nan 0.000 0.577 825 L N 1.505 122.818 121.223 0.151 0.000 2.417 825 L HA 0.740 5.081 4.340 0.001 0.000 0.268 825 L C 0.941 177.858 176.870 0.079 0.000 1.158 825 L CA 0.076 54.983 54.840 0.113 0.000 0.819 825 L CB 1.093 43.224 42.059 0.120 0.000 1.112 825 L HN 0.901 nan 8.230 nan 0.000 0.458 826 M N 2.052 121.680 119.600 0.046 0.000 2.578 826 M HA 0.503 4.983 4.480 0.001 0.000 0.276 826 M C -1.700 174.611 176.300 0.018 0.000 1.245 826 M CA -0.796 54.520 55.300 0.027 0.000 0.871 826 M CB 2.381 34.985 32.600 0.006 0.000 1.722 826 M HN 0.492 nan 8.290 nan 0.000 0.473 827 N N 1.380 120.083 118.700 0.005 0.000 2.235 827 N HA 0.727 5.468 4.740 0.001 0.000 0.293 827 N C -2.370 173.113 175.510 -0.045 0.000 1.083 827 N CA -0.331 52.720 53.050 0.002 0.000 0.801 827 N CB 2.932 41.431 38.487 0.021 0.000 1.559 827 N HN 0.690 nan 8.380 nan 0.000 0.472 828 V N 1.913 121.791 119.914 -0.060 0.000 2.735 828 V HA 0.451 4.572 4.120 0.001 0.000 0.310 828 V C -0.623 175.329 176.094 -0.236 0.000 1.061 828 V CA -0.746 61.431 62.300 -0.205 0.000 0.913 828 V CB 1.941 33.580 31.823 -0.306 0.000 1.005 828 V HN 0.627 nan 8.190 nan 0.000 0.428 829 Q N 3.044 122.630 119.800 -0.356 0.000 2.333 829 Q HA 0.649 4.990 4.340 0.001 0.000 0.268 829 Q C -1.651 174.128 176.000 -0.368 0.000 1.007 829 Q CA -0.289 55.366 55.803 -0.246 0.000 0.810 829 Q CB 2.404 31.064 28.738 -0.130 0.000 1.264 829 Q HN 0.615 nan 8.270 nan 0.000 0.452 830 F N 0.641 120.580 119.950 -0.018 0.000 2.613 830 F HA 0.803 5.331 4.527 0.001 0.000 0.342 830 F C -0.095 175.689 175.800 -0.028 0.000 1.066 830 F CA -1.036 56.965 58.000 0.003 0.000 1.002 830 F CB 1.696 40.695 39.000 -0.001 0.000 1.319 830 F HN 0.504 nan 8.300 nan 0.000 0.495 831 A N 0.856 123.832 122.820 0.260 0.000 2.414 831 A HA 0.681 5.001 4.320 0.001 0.000 0.286 831 A C -1.847 175.839 177.584 0.169 0.000 1.073 831 A CA -0.596 51.510 52.037 0.115 0.000 0.727 831 A CB 0.863 19.869 19.000 0.008 0.000 1.215 831 A HN 0.451 nan 8.150 nan 0.000 0.430 832 V N 2.932 122.896 119.914 0.085 0.000 2.364 832 V HA 0.453 4.574 4.120 0.001 0.000 0.272 832 V C 0.227 176.355 176.094 0.058 0.000 1.036 832 V CA -0.266 62.086 62.300 0.087 0.000 0.880 832 V CB 0.998 32.825 31.823 0.007 0.000 0.991 832 V HN 0.805 nan 8.190 nan 0.000 0.460 833 K N 3.783 124.272 120.400 0.149 0.000 2.426 833 K HA 0.411 4.732 4.320 0.001 0.000 0.254 833 K C 0.018 176.701 176.600 0.139 0.000 0.936 833 K CA -0.727 55.606 56.287 0.077 0.000 0.801 833 K CB 0.954 33.413 32.500 -0.069 0.000 1.139 833 K HN 0.786 nan 8.250 nan 0.000 0.424 834 N N 3.630 122.362 118.700 0.053 0.000 2.669 834 N HA -0.291 4.450 4.740 0.001 0.000 0.266 834 N C -0.455 175.075 175.510 0.034 0.000 1.024 834 N CA 0.830 53.903 53.050 0.040 0.000 0.766 834 N CB -0.993 37.524 38.487 0.050 0.000 0.898 834 N HN 0.922 nan 8.380 nan 0.000 0.548 835 N N -1.055 117.649 118.700 0.008 0.000 2.678 835 N HA -0.247 4.494 4.740 0.001 0.000 0.250 835 N C -1.231 174.264 175.510 -0.024 0.000 1.136 835 N CA 1.264 54.303 53.050 -0.018 0.000 0.757 835 N CB -0.202 38.266 38.487 -0.030 0.000 1.135 835 N HN 0.627 nan 8.380 nan 0.000 0.565 836 E N 0.244 120.456 120.200 0.021 0.000 2.199 836 E HA 0.376 4.727 4.350 0.001 0.000 0.269 836 E C -0.569 176.011 176.600 -0.033 0.000 0.899 836 E CA -0.726 55.639 56.400 -0.059 0.000 0.772 836 E CB 2.381 31.999 29.700 -0.136 0.000 1.155 836 E HN -0.059 nan 8.360 nan 0.000 0.408 837 V N 4.095 123.910 119.914 -0.166 0.000 2.364 837 V HA 0.223 4.343 4.120 0.001 0.000 0.272 837 V C -0.863 175.173 176.094 -0.098 0.000 1.036 837 V CA -0.399 61.856 62.300 -0.074 0.000 0.880 837 V CB -0.291 31.431 31.823 -0.168 0.000 0.991 837 V HN 0.551 nan 8.190 nan 0.000 0.460 838 Y N 4.266 124.634 120.300 0.115 0.000 2.409 838 Y HA 0.588 5.138 4.550 0.001 0.000 0.339 838 Y C -0.103 175.927 175.900 0.217 0.000 1.033 838 Y CA -1.073 57.102 58.100 0.125 0.000 1.094 838 Y CB 1.761 40.252 38.460 0.053 0.000 1.210 838 Y HN 0.417 nan 8.280 nan 0.000 0.456 839 L N 4.031 125.427 121.223 0.288 0.000 2.261 839 L HA 0.360 4.701 4.340 0.001 0.000 0.289 839 L C 0.179 177.129 176.870 0.134 0.000 1.059 839 L CA 0.437 55.371 54.840 0.156 0.000 0.816 839 L CB 0.244 42.385 42.059 0.136 0.000 1.191 839 L HN 0.778 nan 8.230 nan 0.000 0.431 840 I N 2.871 123.458 120.570 0.028 0.000 2.296 840 I HA 0.033 4.204 4.170 0.001 0.000 0.242 840 I C 0.370 176.484 176.117 -0.005 0.000 1.087 840 I CA 0.536 61.847 61.300 0.019 0.000 1.393 840 I CB 0.241 38.223 38.000 -0.029 0.000 1.093 840 I HN 0.753 nan 8.210 nan 0.000 0.421 841 E N -0.998 119.137 120.200 -0.109 0.000 2.403 841 E HA 0.404 4.755 4.350 0.001 0.000 0.280 841 E C -1.586 174.836 176.600 -0.297 0.000 1.101 841 E CA -0.832 55.407 56.400 -0.268 0.000 0.856 841 E CB 1.731 31.263 29.700 -0.280 0.000 1.303 841 E HN -0.218 nan 8.360 nan 0.000 0.441 842 V N 1.893 121.547 119.914 -0.433 0.000 2.487 842 V HA 0.461 4.582 4.120 0.001 0.000 0.298 842 V C -0.916 175.047 176.094 -0.219 0.000 1.028 842 V CA -0.971 61.170 62.300 -0.265 0.000 0.860 842 V CB 1.623 33.346 31.823 -0.167 0.000 0.991 842 V HN 0.630 nan 8.190 nan 0.000 0.427 843 N N 5.950 124.578 118.700 -0.120 0.000 2.626 843 N HA 0.299 5.040 4.740 0.001 0.000 0.242 843 N C -2.620 172.875 175.510 -0.026 0.000 1.005 843 N CA -1.367 51.642 53.050 -0.069 0.000 0.905 843 N CB 2.032 40.503 38.487 -0.028 0.000 1.128 843 N HN 0.386 nan 8.380 nan 0.000 0.512 844 P HA -0.012 nan 4.420 nan 0.000 0.246 844 P C -0.305 177.016 177.300 0.035 0.000 1.675 844 P CA 0.439 63.542 63.100 0.005 0.000 0.908 844 P CB -0.276 31.425 31.700 0.002 0.000 1.890 845 R N -1.747 118.785 120.500 0.054 0.000 2.764 845 R HA 0.714 5.054 4.340 0.001 0.000 0.276 845 R C -1.240 175.128 176.300 0.114 0.000 1.021 845 R CA -1.215 54.947 56.100 0.103 0.000 0.870 845 R CB 0.135 30.493 30.300 0.097 0.000 1.293 845 R HN -0.129 nan 8.270 nan 0.000 0.469 846 A N 0.679 123.587 122.820 0.148 0.000 2.488 846 A HA 0.571 4.892 4.320 0.001 0.000 0.249 846 A C 0.113 177.785 177.584 0.147 0.000 1.083 846 A CA 0.336 52.405 52.037 0.052 0.000 0.768 846 A CB -0.011 18.881 19.000 -0.180 0.000 1.017 846 A HN 0.806 nan 8.150 nan 0.000 0.496 847 A N 2.109 124.963 122.820 0.057 0.000 2.299 847 A HA 0.614 4.935 4.320 0.001 0.000 0.332 847 A C 1.265 178.745 177.584 -0.173 0.000 1.131 847 A CA -0.281 51.801 52.037 0.074 0.000 0.844 847 A CB 0.496 19.529 19.000 0.055 0.000 1.251 847 A HN 1.078 nan 8.150 nan 0.000 0.486 848 R N -0.564 119.782 120.500 -0.257 0.000 2.241 848 R HA -0.105 4.235 4.340 0.001 0.000 0.224 848 R C 0.810 176.946 176.300 -0.273 0.000 1.101 848 R CA 2.054 57.856 56.100 -0.497 0.000 0.995 848 R CB -0.937 29.133 30.300 -0.383 0.000 0.870 848 R HN 0.637 nan 8.270 nan 0.000 0.463 849 T N -1.929 112.550 114.554 -0.125 0.000 3.113 849 T HA 0.126 4.476 4.350 0.001 0.000 0.256 849 T C 1.833 176.533 174.700 0.000 0.000 1.131 849 T CA 0.330 62.417 62.100 -0.021 0.000 1.074 849 T CB 0.128 69.033 68.868 0.061 0.000 0.944 849 T HN 0.029 nan 8.240 nan 0.000 0.516 850 V N 2.816 122.671 119.914 -0.098 0.000 2.324 850 V HA -0.111 4.010 4.120 0.001 0.000 0.250 850 V C -0.199 175.797 176.094 -0.164 0.000 1.060 850 V CA 1.843 64.080 62.300 -0.105 0.000 1.042 850 V CB -1.416 30.326 31.823 -0.134 0.000 0.650 850 V HN 0.408 nan 8.190 nan 0.000 0.450 851 P HA -0.162 nan 4.420 nan 0.000 0.216 851 P C 1.728 178.861 177.300 -0.279 0.000 1.153 851 P CA 1.380 64.101 63.100 -0.632 0.000 0.844 851 P CB -0.146 30.824 31.700 -1.216 0.000 0.787 852 F N 0.773 120.567 119.950 -0.259 0.000 2.069 852 F HA -0.241 4.287 4.527 0.001 0.000 0.298 852 F C 1.938 177.704 175.800 -0.056 0.000 1.113 852 F CA 1.587 59.507 58.000 -0.132 0.000 1.214 852 F CB -0.882 38.059 39.000 -0.099 0.000 0.978 852 F HN -0.315 nan 8.300 nan 0.000 0.474 853 V N 0.121 119.935 119.914 -0.166 0.000 2.287 853 V HA -0.327 3.793 4.120 0.001 0.000 0.248 853 V C 2.443 178.436 176.094 -0.168 0.000 1.053 853 V CA 2.135 64.304 62.300 -0.217 0.000 1.027 853 V CB -1.136 30.663 31.823 -0.039 0.000 0.646 853 V HN 0.431 nan 8.190 nan 0.000 0.447 854 S N -0.491 115.153 115.700 -0.093 0.000 2.370 854 S HA -0.271 4.200 4.470 0.001 0.000 0.226 854 S C 2.032 176.628 174.600 -0.008 0.000 1.033 854 S CA 1.839 60.025 58.200 -0.024 0.000 1.011 854 S CB -0.331 62.914 63.200 0.074 0.000 0.852 854 S HN 0.487 nan 8.310 nan 0.000 0.457 855 K N 1.447 121.836 120.400 -0.019 0.000 2.057 855 K HA 0.101 4.422 4.320 0.001 0.000 0.207 855 K C 2.175 178.871 176.600 0.160 0.000 1.049 855 K CA 1.140 57.478 56.287 0.084 0.000 0.931 855 K CB -0.463 32.029 32.500 -0.013 0.000 0.714 855 K HN 0.324 nan 8.250 nan 0.000 0.440 856 A N -0.115 122.655 122.820 -0.083 0.000 1.872 856 A HA -0.128 4.193 4.320 0.001 0.000 0.214 856 A C 2.181 179.821 177.584 0.093 0.000 1.187 856 A CA 2.096 54.121 52.037 -0.020 0.000 0.614 856 A CB -1.033 17.754 19.000 -0.357 0.000 0.826 856 A HN 0.479 nan 8.150 nan 0.000 0.442 857 T N -4.468 110.061 114.554 -0.043 0.000 3.067 857 T HA 0.365 4.715 4.350 0.001 0.000 0.261 857 T C 1.504 176.123 174.700 -0.134 0.000 1.110 857 T CA 1.208 63.264 62.100 -0.074 0.000 1.113 857 T CB -0.010 68.799 68.868 -0.098 0.000 0.917 857 T HN 1.735 nan 8.240 nan 0.000 0.499 858 G N 0.641 109.278 108.800 -0.272 0.000 2.179 858 G HA2 -0.223 3.738 3.960 0.001 0.000 0.260 858 G HA3 -0.223 3.738 3.960 0.001 0.000 0.260 858 G C 0.038 174.703 174.900 -0.391 0.000 0.977 858 G CA 0.036 44.608 45.100 -0.880 0.000 0.641 858 G HN 0.759 nan 8.290 nan 0.000 0.533 859 V N 1.877 121.684 119.914 -0.178 0.000 2.383 859 V HA 0.466 4.587 4.120 0.001 0.000 0.275 859 V C -1.702 174.387 176.094 -0.008 0.000 1.036 859 V CA -1.478 60.774 62.300 -0.079 0.000 0.889 859 V CB 1.709 33.502 31.823 -0.050 0.000 0.985 859 V HN 0.121 nan 8.190 nan 0.000 0.459 860 P HA 0.249 nan 4.420 nan 0.000 0.231 860 P C 1.051 178.437 177.300 0.143 0.000 1.811 860 P CA -0.197 62.987 63.100 0.140 0.000 1.051 860 P CB 0.213 31.981 31.700 0.113 0.000 1.951 861 L N 0.927 122.212 121.223 0.104 0.000 2.064 861 L HA -0.315 4.026 4.340 0.001 0.000 0.216 861 L C 2.470 179.413 176.870 0.121 0.000 1.077 861 L CA 2.188 57.078 54.840 0.084 0.000 0.766 861 L CB -1.402 40.682 42.059 0.042 0.000 0.890 861 L HN 0.180 nan 8.230 nan 0.000 0.435 862 A N 0.071 122.979 122.820 0.147 0.000 1.877 862 A HA -0.214 4.106 4.320 0.001 0.000 0.216 862 A C 2.371 180.133 177.584 0.296 0.000 1.186 862 A CA 1.866 54.004 52.037 0.169 0.000 0.620 862 A CB -0.377 18.680 19.000 0.094 0.000 0.822 862 A HN 0.389 nan 8.150 nan 0.000 0.443 863 K N -0.393 120.150 120.400 0.238 0.000 1.991 863 K HA -0.109 4.212 4.320 0.001 0.000 0.212 863 K C 1.944 178.618 176.600 0.123 0.000 1.049 863 K CA 1.594 57.966 56.287 0.143 0.000 0.932 863 K CB -0.650 31.875 32.500 0.042 0.000 0.717 863 K HN 0.308 nan 8.250 nan 0.000 0.441 864 V N 1.705 121.685 119.914 0.109 0.000 2.252 864 V HA -0.293 3.827 4.120 0.001 0.000 0.249 864 V C 2.443 178.600 176.094 0.104 0.000 1.056 864 V CA 2.217 64.570 62.300 0.088 0.000 1.022 864 V CB -0.873 30.991 31.823 0.068 0.000 0.641 864 V HN 0.416 nan 8.190 nan 0.000 0.445 865 A N -0.419 122.489 122.820 0.148 0.000 2.067 865 A HA 0.024 4.344 4.320 0.001 0.000 0.219 865 A C 2.349 180.014 177.584 0.136 0.000 1.158 865 A CA 1.787 53.921 52.037 0.162 0.000 0.661 865 A CB -0.574 18.555 19.000 0.216 0.000 0.801 865 A HN 0.584 nan 8.150 nan 0.000 0.452 866 A N 0.034 122.946 122.820 0.154 0.000 1.897 866 A HA -0.093 4.228 4.320 0.001 0.000 0.215 866 A C 2.224 179.798 177.584 -0.016 0.000 1.181 866 A CA 1.324 53.371 52.037 0.015 0.000 0.620 866 A CB -0.396 18.638 19.000 0.056 0.000 0.821 866 A HN 0.519 nan 8.150 nan 0.000 0.443 867 R N -0.637 119.887 120.500 0.040 0.000 2.081 867 R HA -0.072 4.269 4.340 0.001 0.000 0.235 867 R C 2.001 178.324 176.300 0.039 0.000 1.131 867 R CA 1.383 57.511 56.100 0.048 0.000 0.960 867 R CB -0.533 29.807 30.300 0.067 0.000 0.856 867 R HN 0.372 nan 8.270 nan 0.000 0.436 868 V N 1.370 121.310 119.914 0.044 0.000 2.343 868 V HA -0.274 3.847 4.120 0.001 0.000 0.247 868 V C 2.270 178.373 176.094 0.015 0.000 1.051 868 V CA 1.822 64.146 62.300 0.040 0.000 1.036 868 V CB -0.355 31.500 31.823 0.053 0.000 0.654 868 V HN 0.354 nan 8.190 nan 0.000 0.451 869 M N -0.089 119.503 119.600 -0.015 0.000 2.296 869 M HA -0.081 4.400 4.480 0.001 0.000 0.265 869 M C 2.128 178.383 176.300 -0.075 0.000 1.064 869 M CA 1.829 57.097 55.300 -0.053 0.000 1.109 869 M CB -0.506 32.028 32.600 -0.109 0.000 1.396 869 M HN 0.370 nan 8.290 nan 0.000 0.430 870 A N -0.179 122.587 122.820 -0.089 0.000 2.208 870 A HA 0.355 4.675 4.320 0.001 0.000 0.209 870 A C 1.735 179.325 177.584 0.010 0.000 1.161 870 A CA 1.092 53.058 52.037 -0.119 0.000 0.782 870 A CB -0.379 18.449 19.000 -0.287 0.000 0.816 870 A HN 0.633 nan 8.150 nan 0.000 0.477 871 G N -1.205 107.615 108.800 0.033 0.000 2.273 871 G HA2 -0.133 3.828 3.960 0.001 0.000 0.162 871 G HA3 -0.133 3.828 3.960 0.001 0.000 0.162 871 G C 0.130 175.067 174.900 0.061 0.000 1.006 871 G CA 0.095 45.229 45.100 0.055 0.000 0.704 871 G HN 0.549 nan 8.290 nan 0.000 0.487 872 K N 2.136 122.575 120.400 0.065 0.000 2.347 872 K HA 0.567 4.888 4.320 0.001 0.000 0.262 872 K C 1.064 177.694 176.600 0.050 0.000 1.052 872 K CA 0.213 56.536 56.287 0.059 0.000 0.946 872 K CB 0.636 33.177 32.500 0.068 0.000 1.220 872 K HN 0.427 nan 8.250 nan 0.000 0.450 873 S N 3.522 119.249 115.700 0.045 0.000 2.560 873 S HA -0.038 4.433 4.470 0.001 0.000 0.276 873 S C 1.463 176.089 174.600 0.045 0.000 1.350 873 S CA -0.391 57.837 58.200 0.047 0.000 1.024 873 S CB 0.453 63.679 63.200 0.044 0.000 0.864 873 S HN 0.689 nan 8.310 nan 0.000 0.536 874 L N 1.941 123.193 121.223 0.048 0.000 2.013 874 L HA -0.171 4.170 4.340 0.001 0.000 0.212 874 L C 3.111 180.003 176.870 0.036 0.000 1.073 874 L CA 1.909 56.775 54.840 0.044 0.000 0.753 874 L CB -1.270 40.819 42.059 0.049 0.000 0.890 874 L HN 0.972 nan 8.230 nan 0.000 0.432 875 A N -0.309 122.533 122.820 0.036 0.000 1.873 875 A HA -0.285 4.035 4.320 0.001 0.000 0.218 875 A C 2.182 179.780 177.584 0.024 0.000 1.193 875 A CA 2.080 54.135 52.037 0.029 0.000 0.629 875 A CB -0.632 18.385 19.000 0.029 0.000 0.826 875 A HN 0.468 nan 8.150 nan 0.000 0.447 876 E N -0.492 119.724 120.200 0.027 0.000 2.118 876 E HA -0.228 4.123 4.350 0.001 0.000 0.195 876 E C 2.279 178.893 176.600 0.023 0.000 0.992 876 E CA 1.427 57.842 56.400 0.024 0.000 0.804 876 E CB -0.138 29.578 29.700 0.027 0.000 0.741 876 E HN 0.790 nan 8.360 nan 0.000 0.458 877 Q N -1.047 118.769 119.800 0.027 0.000 2.311 877 Q HA 0.025 4.365 4.340 0.001 0.000 0.203 877 Q C 1.158 177.168 176.000 0.017 0.000 0.954 877 Q CA 0.731 56.548 55.803 0.024 0.000 0.885 877 Q CB 0.495 29.251 28.738 0.030 0.000 0.963 877 Q HN 0.333 nan 8.270 nan 0.000 0.471 878 G N 0.891 109.701 108.800 0.017 0.000 2.204 878 G HA2 -0.198 3.763 3.960 0.001 0.000 0.244 878 G HA3 -0.198 3.763 3.960 0.001 0.000 0.244 878 G C -0.240 174.666 174.900 0.010 0.000 1.062 878 G CA 0.037 45.144 45.100 0.012 0.000 0.798 878 G HN 0.189 nan 8.290 nan 0.000 0.496 879 V N 0.810 120.733 119.914 0.014 0.000 2.380 879 V HA 0.634 4.755 4.120 0.001 0.000 0.272 879 V C 0.770 176.875 176.094 0.017 0.000 1.011 879 V CA 0.350 62.657 62.300 0.012 0.000 0.826 879 V CB 1.008 32.839 31.823 0.014 0.000 1.040 879 V HN 0.785 nan 8.190 nan 0.000 0.441 880 T N -0.724 113.839 114.554 0.014 0.000 2.993 880 T HA 0.290 4.641 4.350 0.001 0.000 0.260 880 T C 0.394 175.103 174.700 0.015 0.000 0.939 880 T CA -0.277 61.835 62.100 0.020 0.000 0.886 880 T CB 0.499 69.379 68.868 0.021 0.000 1.209 880 T HN 0.380 nan 8.240 nan 0.000 0.518 881 K N 2.422 122.825 120.400 0.005 0.000 2.244 881 K HA 0.420 4.741 4.320 0.001 0.000 0.260 881 K C -0.481 176.113 176.600 -0.009 0.000 0.951 881 K CA -0.460 55.826 56.287 -0.001 0.000 0.826 881 K CB 2.682 35.179 32.500 -0.004 0.000 1.108 881 K HN 0.379 nan 8.250 nan 0.000 0.433 882 E N 2.412 122.607 120.200 -0.009 0.000 2.452 882 E HA 0.007 4.357 4.350 0.001 0.000 0.261 882 E C -0.912 175.669 176.600 -0.032 0.000 0.987 882 E CA -0.174 56.215 56.400 -0.017 0.000 0.926 882 E CB 0.736 30.428 29.700 -0.014 0.000 0.934 882 E HN 0.159 nan 8.360 nan 0.000 0.452 883 V N 6.323 126.211 119.914 -0.043 0.000 2.394 883 V HA 0.252 4.373 4.120 0.001 0.000 0.282 883 V C -0.197 175.845 176.094 -0.087 0.000 1.031 883 V CA -0.677 61.585 62.300 -0.065 0.000 0.881 883 V CB 1.370 33.148 31.823 -0.074 0.000 0.982 883 V HN 0.561 nan 8.190 nan 0.000 0.451 884 I N 7.179 127.686 120.570 -0.105 0.000 2.411 884 I HA 0.444 4.615 4.170 0.001 0.000 0.284 884 I C -2.281 173.711 176.117 -0.208 0.000 1.012 884 I CA -2.901 58.314 61.300 -0.141 0.000 1.119 884 I CB 1.453 39.386 38.000 -0.112 0.000 1.261 884 I HN 0.422 nan 8.210 nan 0.000 0.448 885 P HA 0.311 nan 4.420 nan 0.000 0.275 885 P C -2.028 174.960 177.300 -0.520 0.000 1.228 885 P CA -1.205 61.562 63.100 -0.554 0.000 0.786 885 P CB 0.141 31.270 31.700 -0.952 0.000 0.927 886 P HA -0.015 nan 4.420 nan 0.000 0.233 886 P C -0.189 177.020 177.300 -0.152 0.000 1.167 886 P CA 1.003 63.976 63.100 -0.211 0.000 0.770 886 P CB -0.145 31.535 31.700 -0.032 0.000 0.837 887 Y N -2.876 117.375 120.300 -0.081 0.000 2.650 887 Y HA 0.662 5.213 4.550 0.001 0.000 0.331 887 Y C -0.412 175.411 175.900 -0.128 0.000 1.082 887 Y CA -2.128 55.942 58.100 -0.050 0.000 1.171 887 Y CB 0.166 38.634 38.460 0.014 0.000 1.326 887 Y HN -0.348 nan 8.280 nan 0.000 0.513 888 Y N 0.432 120.919 120.300 0.311 0.000 2.330 888 Y HA 0.544 5.095 4.550 0.001 0.000 0.336 888 Y C -0.141 175.932 175.900 0.288 0.000 1.036 888 Y CA -0.296 57.953 58.100 0.249 0.000 1.125 888 Y CB 2.032 40.628 38.460 0.227 0.000 1.194 888 Y HN 0.625 nan 8.280 nan 0.000 0.469 889 S N 2.675 118.629 115.700 0.424 0.000 2.498 889 S HA 0.646 5.117 4.470 0.001 0.000 0.317 889 S C -1.080 173.808 174.600 0.480 0.000 1.090 889 S CA -0.666 57.754 58.200 0.366 0.000 1.089 889 S CB 0.905 64.216 63.200 0.185 0.000 0.997 889 S HN 0.345 nan 8.310 nan 0.000 0.470 890 V N 4.597 124.715 119.914 0.340 0.000 2.495 890 V HA 0.524 4.645 4.120 0.001 0.000 0.298 890 V C 0.013 176.144 176.094 0.061 0.000 1.031 890 V CA -0.795 61.622 62.300 0.194 0.000 0.871 890 V CB 1.836 33.645 31.823 -0.023 0.000 0.988 890 V HN 0.676 nan 8.190 nan 0.000 0.432 891 K N 3.140 123.413 120.400 -0.211 0.000 2.182 891 K HA 0.661 4.981 4.320 0.001 0.000 0.262 891 K C -1.024 175.416 176.600 -0.267 0.000 0.957 891 K CA -0.443 55.594 56.287 -0.417 0.000 0.842 891 K CB 2.049 33.952 32.500 -0.995 0.000 1.099 891 K HN 0.792 nan 8.250 nan 0.000 0.438 892 E N 2.282 122.345 120.200 -0.228 0.000 2.343 892 E HA 0.348 4.699 4.350 0.001 0.000 0.270 892 E C -1.421 175.088 176.600 -0.151 0.000 0.895 892 E CA -0.879 55.410 56.400 -0.187 0.000 0.767 892 E CB 1.763 31.319 29.700 -0.240 0.000 1.248 892 E HN 0.354 nan 8.360 nan 0.000 0.440 893 V N 0.866 120.713 119.914 -0.113 0.000 3.093 893 V HA 0.886 5.007 4.120 0.001 0.000 0.320 893 V C -0.329 175.719 176.094 -0.077 0.000 1.093 893 V CA -0.551 61.691 62.300 -0.096 0.000 1.016 893 V CB 1.523 33.295 31.823 -0.086 0.000 1.096 893 V HN 0.646 nan 8.190 nan 0.000 0.452 894 V N 0.872 120.741 119.914 -0.075 0.000 2.540 894 V HA 0.785 4.906 4.120 0.001 0.000 0.302 894 V C -0.648 175.389 176.094 -0.096 0.000 1.035 894 V CA -0.605 61.655 62.300 -0.067 0.000 0.873 894 V CB 1.020 32.811 31.823 -0.055 0.000 0.992 894 V HN 0.884 nan 8.190 nan 0.000 0.428 895 L N 5.441 126.588 121.223 -0.127 0.000 2.330 895 L HA 0.668 5.009 4.340 0.001 0.000 0.271 895 L C -1.670 175.050 176.870 -0.250 0.000 1.013 895 L CA -1.483 53.191 54.840 -0.276 0.000 0.816 895 L CB 2.726 44.469 42.059 -0.527 0.000 1.287 895 L HN 0.461 nan 8.230 nan 0.000 0.435 896 P HA 0.068 nan 4.420 nan 0.000 0.257 896 P C 1.158 178.385 177.300 -0.121 0.000 1.325 896 P CA 0.139 63.123 63.100 -0.193 0.000 0.850 896 P CB 0.078 31.709 31.700 -0.115 0.000 1.324 897 F N 2.658 122.663 119.950 0.091 0.000 2.184 897 F HA -0.219 4.309 4.527 0.001 0.000 0.301 897 F C 2.132 177.935 175.800 0.006 0.000 1.076 897 F CA 1.465 59.539 58.000 0.123 0.000 1.295 897 F CB -1.815 37.280 39.000 0.159 0.000 1.026 897 F HN 0.138 nan 8.300 nan 0.000 0.494 898 N N 0.434 119.189 118.700 0.092 0.000 2.453 898 N HA -0.167 4.574 4.740 0.001 0.000 0.183 898 N C 1.179 176.585 175.510 -0.173 0.000 1.041 898 N CA 0.963 54.000 53.050 -0.021 0.000 0.900 898 N CB -0.436 38.037 38.487 -0.024 0.000 0.961 898 N HN 0.190 nan 8.380 nan 0.000 0.443 899 K N -0.164 119.998 120.400 -0.398 0.000 2.361 899 K HA 0.106 4.427 4.320 0.001 0.000 0.196 899 K C -0.355 175.709 176.600 -0.892 0.000 1.039 899 K CA 0.232 56.069 56.287 -0.750 0.000 1.001 899 K CB 0.112 31.873 32.500 -1.232 0.000 0.795 899 K HN 0.275 nan 8.250 nan 0.000 0.495 900 F N 0.720 120.646 119.950 -0.039 0.000 2.769 900 F HA 0.285 4.813 4.527 0.001 0.000 0.358 900 F C -1.931 173.903 175.800 0.058 0.000 1.285 900 F CA -2.382 55.623 58.000 0.009 0.000 1.199 900 F CB 1.366 40.352 39.000 -0.023 0.000 1.558 900 F HN -0.183 nan 8.300 nan 0.000 0.583 901 P HA -0.112 nan 4.420 nan 0.000 0.216 901 P C 1.849 179.205 177.300 0.093 0.000 1.150 901 P CA 1.390 64.541 63.100 0.086 0.000 0.837 901 P CB 0.220 31.931 31.700 0.019 0.000 0.786 902 G N -0.488 108.382 108.800 0.116 0.000 2.653 902 G HA2 0.001 3.962 3.960 0.001 0.000 0.212 902 G HA3 0.001 3.962 3.960 0.001 0.000 0.212 902 G C 0.408 175.369 174.900 0.101 0.000 1.138 902 G CA 0.109 45.262 45.100 0.089 0.000 0.782 902 G HN 0.213 nan 8.290 nan 0.000 0.535 903 V N 0.180 120.184 119.914 0.151 0.000 2.612 903 V HA 0.250 4.371 4.120 0.001 0.000 0.301 903 V C -0.387 175.721 176.094 0.023 0.000 1.046 903 V CA -1.175 61.213 62.300 0.146 0.000 0.946 903 V CB 1.992 34.011 31.823 0.327 0.000 1.003 903 V HN 0.098 nan 8.190 nan 0.000 0.459 904 D N 4.994 125.368 120.400 -0.044 0.000 2.325 904 D HA 0.218 4.859 4.640 0.001 0.000 0.251 904 D C -2.178 173.878 176.300 -0.406 0.000 1.196 904 D CA -1.930 51.976 54.000 -0.156 0.000 0.866 904 D CB 1.473 42.211 40.800 -0.103 0.000 1.101 904 D HN 0.261 nan 8.370 nan 0.000 0.476 905 P HA 0.169 nan 4.420 nan 0.000 0.225 905 P C -0.726 176.142 177.300 -0.720 0.000 1.813 905 P CA -0.254 62.096 63.100 -1.250 0.000 1.013 905 P CB -0.522 30.845 31.700 -0.556 0.000 1.961 906 L N 0.164 121.056 121.223 -0.552 0.000 2.388 906 L HA 0.575 4.915 4.340 0.001 0.000 0.264 906 L C -0.958 175.957 176.870 0.076 0.000 0.998 906 L CA -1.438 53.340 54.840 -0.103 0.000 0.817 906 L CB 1.783 43.816 42.059 -0.043 0.000 1.338 906 L HN -0.167 nan 8.230 nan 0.000 0.414 907 L N 3.068 124.375 121.223 0.140 0.000 2.417 907 L HA 0.804 5.145 4.340 0.001 0.000 0.268 907 L C 0.733 177.669 176.870 0.110 0.000 1.158 907 L CA 0.169 55.108 54.840 0.165 0.000 0.819 907 L CB 0.606 42.754 42.059 0.148 0.000 1.112 907 L HN 0.946 nan 8.230 nan 0.000 0.458 908 G N 0.872 109.737 108.800 0.108 0.000 2.634 908 G HA2 0.402 4.363 3.960 0.001 0.000 0.309 908 G HA3 0.402 4.363 3.960 0.001 0.000 0.309 908 G C -2.624 172.328 174.900 0.087 0.000 1.299 908 G CA -0.359 44.781 45.100 0.067 0.000 0.798 908 G HN 0.339 nan 8.290 nan 0.000 0.490 909 P HA 0.102 nan 4.420 nan 0.000 0.237 909 P C 0.174 177.573 177.300 0.164 0.000 1.178 909 P CA 0.787 63.939 63.100 0.087 0.000 0.766 909 P CB 0.597 32.300 31.700 0.004 0.000 0.876 910 E N 0.437 120.686 120.200 0.082 0.000 2.175 910 E HA 0.269 4.620 4.350 0.001 0.000 0.278 910 E C -0.294 176.232 176.600 -0.123 0.000 0.969 910 E CA -0.886 55.509 56.400 -0.009 0.000 0.796 910 E CB 1.335 31.005 29.700 -0.051 0.000 1.104 910 E HN 0.033 nan 8.360 nan 0.000 0.395 911 M N 4.083 123.439 119.600 -0.406 0.000 2.185 911 M HA 0.181 4.662 4.480 0.001 0.000 0.357 911 M C 0.160 176.306 176.300 -0.257 0.000 1.260 911 M CA 0.390 55.428 55.300 -0.436 0.000 1.124 911 M CB 0.512 32.626 32.600 -0.809 0.000 1.600 911 M HN 0.338 nan 8.290 nan 0.000 0.467 912 R N 1.497 121.900 120.500 -0.161 0.000 2.521 912 R HA 0.203 4.543 4.340 0.001 0.000 0.289 912 R C 0.105 176.366 176.300 -0.065 0.000 0.936 912 R CA 0.271 56.296 56.100 -0.125 0.000 1.089 912 R CB 0.700 30.949 30.300 -0.084 0.000 1.348 912 R HN 0.892 nan 8.270 nan 0.000 0.536 913 S N -0.804 114.835 115.700 -0.102 0.000 2.579 913 S HA 0.033 4.503 4.470 0.001 0.000 0.275 913 S C 1.123 175.693 174.600 -0.049 0.000 1.345 913 S CA 0.256 58.399 58.200 -0.095 0.000 1.031 913 S CB 1.490 64.634 63.200 -0.094 0.000 0.892 913 S HN 0.284 nan 8.310 nan 0.000 0.529 914 T N -1.168 113.358 114.554 -0.047 0.000 3.000 914 T HA 0.519 4.870 4.350 0.001 0.000 0.248 914 T C 0.826 175.507 174.700 -0.031 0.000 1.034 914 T CA 0.213 62.299 62.100 -0.024 0.000 1.060 914 T CB -0.118 68.737 68.868 -0.022 0.000 0.983 914 T HN 1.095 nan 8.240 nan 0.000 0.482 915 G N 0.639 109.411 108.800 -0.047 0.000 2.749 915 G HA2 0.656 4.616 3.960 0.001 0.000 0.300 915 G HA3 0.656 4.616 3.960 0.001 0.000 0.300 915 G C -2.075 172.784 174.900 -0.068 0.000 1.352 915 G CA -0.926 44.145 45.100 -0.048 0.000 0.789 915 G HN 0.535 nan 8.290 nan 0.000 0.509 916 E N -2.289 117.869 120.200 -0.069 0.000 2.423 916 E HA 0.642 4.992 4.350 0.001 0.000 0.280 916 E C -1.152 175.404 176.600 -0.073 0.000 1.030 916 E CA -1.116 55.230 56.400 -0.091 0.000 0.812 916 E CB 2.163 31.787 29.700 -0.126 0.000 1.313 916 E HN 1.187 nan 8.360 nan 0.000 0.456 917 V N -1.814 118.047 119.914 -0.087 0.000 3.102 917 V HA 0.771 4.892 4.120 0.001 0.000 0.312 917 V C -0.779 175.283 176.094 -0.054 0.000 1.135 917 V CA -1.026 61.236 62.300 -0.063 0.000 1.022 917 V CB 1.904 33.684 31.823 -0.072 0.000 1.056 917 V HN 0.915 nan 8.190 nan 0.000 0.436 918 M N 1.903 121.504 119.600 0.001 0.000 2.535 918 M HA 0.873 5.353 4.480 0.001 0.000 0.314 918 M C -0.295 176.015 176.300 0.015 0.000 1.153 918 M CA -0.225 55.120 55.300 0.075 0.000 0.924 918 M CB 2.124 34.826 32.600 0.171 0.000 1.710 918 M HN 1.212 nan 8.290 nan 0.000 0.451 919 G N 2.571 111.385 108.800 0.023 0.000 2.643 919 G HA2 0.646 4.607 3.960 0.001 0.000 0.305 919 G HA3 0.646 4.607 3.960 0.001 0.000 0.305 919 G C -1.930 172.987 174.900 0.029 0.000 1.387 919 G CA -0.465 44.617 45.100 -0.030 0.000 0.982 919 G HN 0.605 nan 8.290 nan 0.000 0.501 920 V N 1.138 121.050 119.914 -0.004 0.000 2.448 920 V HA 0.941 5.061 4.120 0.001 0.000 0.295 920 V C 0.575 176.672 176.094 0.004 0.000 1.025 920 V CA -0.023 62.275 62.300 -0.003 0.000 0.859 920 V CB 1.203 32.947 31.823 -0.130 0.000 0.988 920 V HN 1.188 nan 8.190 nan 0.000 0.431 921 G N 3.353 112.210 108.800 0.095 0.000 2.677 921 G HA2 0.488 4.449 3.960 0.001 0.000 0.291 921 G HA3 0.488 4.449 3.960 0.001 0.000 0.291 921 G C -0.184 174.850 174.900 0.223 0.000 1.435 921 G CA -0.811 44.350 45.100 0.103 0.000 0.826 921 G HN 0.521 nan 8.290 nan 0.000 0.491 922 R N -0.941 119.666 120.500 0.179 0.000 2.235 922 R HA 0.118 4.459 4.340 0.001 0.000 0.213 922 R C 0.876 177.356 176.300 0.300 0.000 1.059 922 R CA 1.386 57.617 56.100 0.217 0.000 0.997 922 R CB -0.032 30.349 30.300 0.136 0.000 0.884 922 R HN 0.600 nan 8.270 nan 0.000 0.462 923 T N -3.393 111.307 114.554 0.244 0.000 2.907 923 T HA 0.221 4.571 4.350 0.001 0.000 0.292 923 T C 0.336 175.064 174.700 0.047 0.000 1.043 923 T CA -0.900 61.308 62.100 0.180 0.000 1.003 923 T CB 1.553 70.479 68.868 0.097 0.000 1.084 923 T HN 0.037 nan 8.240 nan 0.000 0.483 924 F N 1.883 121.578 119.950 -0.425 0.000 2.171 924 F HA 0.082 4.610 4.527 0.001 0.000 0.300 924 F C 2.428 178.142 175.800 -0.144 0.000 1.090 924 F CA 1.702 59.392 58.000 -0.518 0.000 1.293 924 F CB -0.692 37.901 39.000 -0.679 0.000 1.013 924 F HN 0.745 nan 8.300 nan 0.000 0.486 925 A N 0.081 122.876 122.820 -0.042 0.000 1.908 925 A HA -0.249 4.071 4.320 0.001 0.000 0.218 925 A C 2.271 179.795 177.584 -0.100 0.000 1.181 925 A CA 1.971 53.972 52.037 -0.059 0.000 0.627 925 A CB -1.032 18.002 19.000 0.056 0.000 0.818 925 A HN 0.591 nan 8.150 nan 0.000 0.445 926 E N -0.483 119.680 120.200 -0.060 0.000 2.047 926 E HA -0.088 4.263 4.350 0.001 0.000 0.191 926 E C 2.323 178.870 176.600 -0.089 0.000 0.987 926 E CA 0.823 57.194 56.400 -0.050 0.000 0.799 926 E CB -0.222 29.478 29.700 -0.000 0.000 0.752 926 E HN 0.559 nan 8.360 nan 0.000 0.449 927 A N 0.967 123.730 122.820 -0.095 0.000 1.859 927 A HA -0.236 4.084 4.320 0.001 0.000 0.217 927 A C 2.026 179.484 177.584 -0.210 0.000 1.198 927 A CA 1.588 53.568 52.037 -0.094 0.000 0.629 927 A CB -1.129 17.867 19.000 -0.007 0.000 0.830 927 A HN 0.453 nan 8.150 nan 0.000 0.446 928 F N 0.762 120.391 119.950 -0.536 0.000 2.120 928 F HA -0.178 4.350 4.527 0.001 0.000 0.300 928 F C 2.579 178.187 175.800 -0.319 0.000 1.095 928 F CA 1.577 59.246 58.000 -0.552 0.000 1.249 928 F CB -0.274 38.180 39.000 -0.909 0.000 0.995 928 F HN 0.260 nan 8.300 nan 0.000 0.480 929 A N -0.187 122.531 122.820 -0.169 0.000 1.933 929 A HA -0.202 4.119 4.320 0.001 0.000 0.218 929 A C 2.165 179.605 177.584 -0.241 0.000 1.175 929 A CA 1.848 53.779 52.037 -0.177 0.000 0.628 929 A CB -0.582 18.360 19.000 -0.096 0.000 0.814 929 A HN 0.462 nan 8.150 nan 0.000 0.444 930 K N -0.283 119.991 120.400 -0.210 0.000 2.103 930 K HA 0.063 4.384 4.320 0.001 0.000 0.204 930 K C 2.277 178.750 176.600 -0.211 0.000 1.052 930 K CA 0.997 57.176 56.287 -0.179 0.000 0.945 930 K CB -0.275 32.151 32.500 -0.123 0.000 0.722 930 K HN 0.416 nan 8.250 nan 0.000 0.443 931 A N 1.265 123.913 122.820 -0.287 0.000 1.898 931 A HA -0.239 4.081 4.320 0.001 0.000 0.216 931 A C 2.160 179.516 177.584 -0.380 0.000 1.181 931 A CA 1.440 53.288 52.037 -0.315 0.000 0.620 931 A CB -0.495 18.291 19.000 -0.357 0.000 0.819 931 A HN 0.333 nan 8.150 nan 0.000 0.442 932 Q N -0.957 118.516 119.800 -0.545 0.000 2.020 932 Q HA -0.186 4.155 4.340 0.001 0.000 0.202 932 Q C 2.022 177.866 176.000 -0.259 0.000 0.982 932 Q CA 1.764 57.288 55.803 -0.465 0.000 0.838 932 Q CB -0.258 28.149 28.738 -0.551 0.000 0.899 932 Q HN 0.530 nan 8.270 nan 0.000 0.423 933 L N 0.273 121.360 121.223 -0.227 0.000 2.046 933 L HA -0.042 4.298 4.340 0.001 0.000 0.208 933 L C 2.099 178.911 176.870 -0.097 0.000 1.077 933 L CA 2.420 57.170 54.840 -0.149 0.000 0.747 933 L CB -1.033 40.924 42.059 -0.169 0.000 0.896 933 L HN 0.301 nan 8.230 nan 0.000 0.432 934 G N -1.434 107.296 108.800 -0.118 0.000 2.432 934 G HA2 -0.273 3.687 3.960 0.001 0.000 0.219 934 G HA3 -0.273 3.687 3.960 0.001 0.000 0.219 934 G C 1.482 176.340 174.900 -0.069 0.000 1.135 934 G CA 0.876 45.929 45.100 -0.079 0.000 0.767 934 G HN 0.593 nan 8.290 nan 0.000 0.550 935 S N -0.267 115.374 115.700 -0.098 0.000 2.660 935 S HA 0.015 4.485 4.470 0.001 0.000 0.223 935 S C 1.113 175.692 174.600 -0.034 0.000 0.963 935 S CA 0.795 58.950 58.200 -0.075 0.000 0.932 935 S CB -0.607 62.532 63.200 -0.101 0.000 0.775 935 S HN 0.593 nan 8.310 nan 0.000 0.531 936 N N 0.337 119.024 118.700 -0.022 0.000 2.829 936 N HA -0.198 4.543 4.740 0.001 0.000 0.250 936 N C -0.171 175.361 175.510 0.036 0.000 1.090 936 N CA 0.604 53.662 53.050 0.013 0.000 0.781 936 N CB -1.667 36.830 38.487 0.016 0.000 1.124 936 N HN 0.614 nan 8.380 nan 0.000 0.559 937 S N -0.128 115.580 115.700 0.012 0.000 2.568 937 S HA 0.147 4.618 4.470 0.001 0.000 0.282 937 S C 1.388 176.027 174.600 0.065 0.000 1.338 937 S CA 0.944 59.178 58.200 0.056 0.000 1.045 937 S CB 1.019 64.172 63.200 -0.078 0.000 0.873 937 S HN 0.327 nan 8.310 nan 0.000 0.516 938 T N 2.635 117.280 114.554 0.151 0.000 3.214 938 T HA 0.289 4.640 4.350 0.001 0.000 0.264 938 T C 0.353 175.128 174.700 0.125 0.000 1.012 938 T CA -0.586 61.594 62.100 0.134 0.000 0.901 938 T CB -0.300 68.670 68.868 0.170 0.000 1.070 938 T HN 0.562 nan 8.240 nan 0.000 0.561 939 M N 3.005 122.619 119.600 0.023 0.000 2.252 939 M HA 0.272 4.752 4.480 0.001 0.000 0.329 939 M C -0.308 175.997 176.300 0.008 0.000 1.101 939 M CA 0.082 55.370 55.300 -0.020 0.000 1.117 939 M CB 0.174 32.589 32.600 -0.309 0.000 1.563 939 M HN 0.009 nan 8.290 nan 0.000 0.445 940 K N 3.722 124.155 120.400 0.054 0.000 2.350 940 K HA 0.347 4.668 4.320 0.001 0.000 0.241 940 K C -0.134 176.506 176.600 0.067 0.000 0.994 940 K CA -0.701 55.576 56.287 -0.015 0.000 0.839 940 K CB 1.207 33.579 32.500 -0.212 0.000 1.244 940 K HN 0.615 nan 8.250 nan 0.000 0.443 941 K N 0.806 121.213 120.400 0.011 0.000 2.444 941 K HA 0.006 4.326 4.320 0.001 0.000 0.193 941 K C 0.601 177.164 176.600 -0.062 0.000 1.024 941 K CA 0.465 56.809 56.287 0.094 0.000 1.077 941 K CB 0.131 32.680 32.500 0.081 0.000 0.833 941 K HN 0.610 nan 8.250 nan 0.000 0.517 942 H N -2.827 115.999 119.070 -0.406 0.000 2.984 942 H HA 0.552 5.109 4.556 0.001 0.000 0.277 942 H C 0.140 174.931 175.328 -0.896 0.000 1.502 942 H CA -0.305 55.191 56.048 -0.921 0.000 1.195 942 H CB 0.904 30.434 29.762 -0.388 0.000 1.866 942 H HN 0.085 nan 8.280 nan 0.000 0.594 943 G N 0.596 109.126 108.800 -0.449 0.000 2.416 943 G HA2 -0.079 3.882 3.960 0.001 0.000 0.203 943 G HA3 -0.079 3.882 3.960 0.001 0.000 0.203 943 G C -1.145 173.778 174.900 0.037 0.000 1.227 943 G CA -0.259 44.790 45.100 -0.086 0.000 1.041 943 G HN 0.823 nan 8.290 nan 0.000 0.546 944 R N 0.259 120.906 120.500 0.245 0.000 2.562 944 R HA 0.714 5.055 4.340 0.001 0.000 0.298 944 R C -0.053 176.585 176.300 0.564 0.000 0.961 944 R CA 0.044 56.374 56.100 0.385 0.000 0.881 944 R CB 1.398 31.852 30.300 0.257 0.000 1.159 944 R HN 1.506 nan 8.270 nan 0.000 0.450 945 A N 4.217 127.330 122.820 0.488 0.000 2.337 945 A HA 0.506 4.827 4.320 0.001 0.000 0.329 945 A C -1.447 176.155 177.584 0.030 0.000 1.146 945 A CA -0.739 51.463 52.037 0.275 0.000 0.800 945 A CB 1.330 20.461 19.000 0.217 0.000 1.220 945 A HN 0.590 nan 8.150 nan 0.000 0.472 946 L N 2.500 123.528 121.223 -0.325 0.000 2.296 946 L HA 0.736 5.076 4.340 0.001 0.000 0.286 946 L C -1.432 175.251 176.870 -0.312 0.000 1.023 946 L CA -0.348 54.212 54.840 -0.467 0.000 0.812 946 L CB 1.072 42.541 42.059 -0.984 0.000 1.223 946 L HN 0.529 nan 8.230 nan 0.000 0.421 947 L N 4.366 125.478 121.223 -0.184 0.000 2.322 947 L HA 0.711 5.051 4.340 0.001 0.000 0.281 947 L C -0.110 176.690 176.870 -0.116 0.000 1.014 947 L CA 0.058 54.812 54.840 -0.143 0.000 0.815 947 L CB 1.874 43.884 42.059 -0.082 0.000 1.247 947 L HN 0.688 nan 8.230 nan 0.000 0.421 948 S N 2.579 118.212 115.700 -0.112 0.000 2.397 948 S HA 0.562 5.033 4.470 0.001 0.000 0.190 948 S C -0.892 173.671 174.600 -0.062 0.000 1.100 948 S CA -0.566 57.587 58.200 -0.078 0.000 1.150 948 S CB 0.337 63.480 63.200 -0.095 0.000 1.302 948 S HN 0.426 nan 8.310 nan 0.000 0.417 949 V N 2.700 122.590 119.914 -0.039 0.000 3.096 949 V HA 0.849 4.970 4.120 0.001 0.000 0.319 949 V C 0.038 176.124 176.094 -0.014 0.000 1.103 949 V CA -1.388 60.897 62.300 -0.025 0.000 1.016 949 V CB 1.297 33.110 31.823 -0.015 0.000 1.090 949 V HN 0.839 nan 8.190 nan 0.000 0.449 950 R N 0.140 120.633 120.500 -0.011 0.000 2.580 950 R HA 0.494 4.834 4.340 0.001 0.000 0.267 950 R C 0.983 177.281 176.300 -0.004 0.000 1.125 950 R CA -0.410 55.680 56.100 -0.017 0.000 1.188 950 R CB 0.142 30.423 30.300 -0.031 0.000 1.155 950 R HN 0.631 nan 8.270 nan 0.000 0.586 951 E N 0.911 121.105 120.200 -0.011 0.000 2.068 951 E HA -0.209 4.142 4.350 0.001 0.000 0.207 951 E C 2.081 178.691 176.600 0.017 0.000 1.032 951 E CA 2.403 58.803 56.400 0.001 0.000 0.839 951 E CB -1.018 28.677 29.700 -0.010 0.000 0.758 951 E HN 0.882 nan 8.360 nan 0.000 0.457 952 G N 1.245 110.057 108.800 0.021 0.000 2.505 952 G HA2 -0.283 3.678 3.960 0.001 0.000 0.220 952 G HA3 -0.283 3.678 3.960 0.001 0.000 0.220 952 G C 1.120 176.050 174.900 0.049 0.000 1.145 952 G CA 1.290 46.415 45.100 0.041 0.000 0.761 952 G HN 0.248 nan 8.290 nan 0.000 0.571 953 D N 0.026 120.455 120.400 0.048 0.000 2.349 953 D HA 0.048 4.688 4.640 0.001 0.000 0.224 953 D C 2.208 178.540 176.300 0.053 0.000 1.029 953 D CA 0.306 54.343 54.000 0.061 0.000 0.879 953 D CB 0.075 40.910 40.800 0.058 0.000 0.906 953 D HN 0.286 nan 8.370 nan 0.000 0.528 954 K N 0.896 121.318 120.400 0.038 0.000 2.103 954 K HA -0.158 4.163 4.320 0.001 0.000 0.207 954 K C 1.962 178.587 176.600 0.041 0.000 1.048 954 K CA 0.914 57.221 56.287 0.032 0.000 0.930 954 K CB 0.143 32.658 32.500 0.024 0.000 0.716 954 K HN 0.142 nan 8.250 nan 0.000 0.444 955 E N 0.476 120.704 120.200 0.046 0.000 2.007 955 E HA -0.198 4.153 4.350 0.001 0.000 0.194 955 E C 2.151 178.794 176.600 0.072 0.000 0.999 955 E CA 1.244 57.673 56.400 0.049 0.000 0.811 955 E CB 0.071 29.796 29.700 0.042 0.000 0.762 955 E HN 0.167 nan 8.360 nan 0.000 0.450 956 R N 0.091 120.651 120.500 0.100 0.000 2.105 956 R HA -0.128 4.213 4.340 0.001 0.000 0.239 956 R C 2.424 178.860 176.300 0.226 0.000 1.135 956 R CA 1.025 57.235 56.100 0.183 0.000 0.967 956 R CB -0.379 30.056 30.300 0.225 0.000 0.861 956 R HN 0.170 nan 8.270 nan 0.000 0.442 957 V N 0.646 120.631 119.914 0.118 0.000 2.720 957 V HA -0.184 3.937 4.120 0.001 0.000 0.256 957 V C 1.933 178.048 176.094 0.035 0.000 1.082 957 V CA 1.516 63.841 62.300 0.041 0.000 1.101 957 V CB -0.000 31.830 31.823 0.012 0.000 0.693 957 V HN 0.123 nan 8.190 nan 0.000 0.479 958 V N 0.380 120.332 119.914 0.065 0.000 2.295 958 V HA -0.240 3.880 4.120 0.001 0.000 0.246 958 V C 2.400 178.537 176.094 0.071 0.000 1.049 958 V CA 2.496 64.828 62.300 0.053 0.000 1.024 958 V CB -0.862 30.992 31.823 0.052 0.000 0.648 958 V HN 0.673 nan 8.190 nan 0.000 0.447 959 D N -0.113 120.368 120.400 0.136 0.000 2.123 959 D HA -0.180 4.461 4.640 0.001 0.000 0.196 959 D C 1.944 178.339 176.300 0.159 0.000 0.992 959 D CA 1.278 55.392 54.000 0.188 0.000 0.833 959 D CB -0.175 40.795 40.800 0.282 0.000 0.954 959 D HN 0.294 nan 8.370 nan 0.000 0.455 960 L N 0.384 121.629 121.223 0.037 0.000 2.046 960 L HA 0.018 4.359 4.340 0.001 0.000 0.208 960 L C 2.180 178.976 176.870 -0.124 0.000 1.077 960 L CA 2.084 56.760 54.840 -0.273 0.000 0.747 960 L CB -1.000 40.649 42.059 -0.684 0.000 0.896 960 L HN 0.059 nan 8.230 nan 0.000 0.432 961 A N -0.359 122.425 122.820 -0.060 0.000 1.908 961 A HA -0.171 4.149 4.320 0.001 0.000 0.218 961 A C 2.473 180.061 177.584 0.007 0.000 1.181 961 A CA 2.021 54.045 52.037 -0.022 0.000 0.627 961 A CB -1.235 17.765 19.000 -0.001 0.000 0.818 961 A HN 0.600 nan 8.150 nan 0.000 0.445 962 A N -0.229 122.606 122.820 0.025 0.000 1.865 962 A HA -0.208 4.113 4.320 0.001 0.000 0.217 962 A C 2.117 179.727 177.584 0.043 0.000 1.191 962 A CA 1.997 54.059 52.037 0.043 0.000 0.623 962 A CB -0.526 18.508 19.000 0.057 0.000 0.826 962 A HN 0.543 nan 8.150 nan 0.000 0.444 963 K N -0.557 119.864 120.400 0.035 0.000 2.063 963 K HA -0.086 4.235 4.320 0.001 0.000 0.208 963 K C 1.862 178.470 176.600 0.013 0.000 1.048 963 K CA 1.494 57.799 56.287 0.030 0.000 0.928 963 K CB -0.391 32.123 32.500 0.023 0.000 0.713 963 K HN 0.473 nan 8.250 nan 0.000 0.442 964 L N 0.658 121.863 121.223 -0.031 0.000 2.093 964 L HA -0.189 4.151 4.340 0.001 0.000 0.208 964 L C 2.233 179.195 176.870 0.152 0.000 1.085 964 L CA 0.960 55.779 54.840 -0.034 0.000 0.755 964 L CB -0.289 41.682 42.059 -0.146 0.000 0.904 964 L HN 0.183 nan 8.230 nan 0.000 0.435 965 L N -0.563 120.727 121.223 0.113 0.000 2.027 965 L HA -0.225 4.116 4.340 0.001 0.000 0.206 965 L C 2.673 179.615 176.870 0.120 0.000 1.074 965 L CA 1.287 56.204 54.840 0.129 0.000 0.745 965 L CB -0.448 41.663 42.059 0.086 0.000 0.898 965 L HN 0.183 nan 8.230 nan 0.000 0.433 966 K N -0.459 119.997 120.400 0.093 0.000 2.152 966 K HA -0.216 4.104 4.320 0.001 0.000 0.206 966 K C 2.116 178.777 176.600 0.102 0.000 1.048 966 K CA 1.087 57.422 56.287 0.081 0.000 0.933 966 K CB 0.039 32.578 32.500 0.065 0.000 0.721 966 K HN 0.204 nan 8.250 nan 0.000 0.447 967 Q N -0.592 119.297 119.800 0.149 0.000 2.488 967 Q HA -0.049 4.292 4.340 0.001 0.000 0.211 967 Q C 0.851 176.979 176.000 0.214 0.000 0.967 967 Q CA 1.081 57.006 55.803 0.203 0.000 0.926 967 Q CB 0.589 29.506 28.738 0.297 0.000 0.992 967 Q HN 0.602 nan 8.270 nan 0.000 0.506 968 G N -0.472 108.440 108.800 0.188 0.000 2.163 968 G HA2 -0.235 3.725 3.960 0.001 0.000 0.213 968 G HA3 -0.235 3.725 3.960 0.001 0.000 0.213 968 G C -0.120 174.830 174.900 0.083 0.000 0.991 968 G CA -0.227 44.931 45.100 0.096 0.000 0.653 968 G HN 0.260 nan 8.290 nan 0.000 0.518 969 F N 0.791 120.779 119.950 0.062 0.000 2.378 969 F HA 0.615 5.143 4.527 0.001 0.000 0.325 969 F C 0.975 176.822 175.800 0.078 0.000 1.097 969 F CA -0.494 57.555 58.000 0.081 0.000 1.079 969 F CB 1.016 40.065 39.000 0.083 0.000 1.240 969 F HN 0.024 nan 8.300 nan 0.000 0.519 970 E N 1.920 122.285 120.200 0.276 0.000 2.216 970 E HA 0.482 4.833 4.350 0.001 0.000 0.279 970 E C -1.154 175.583 176.600 0.228 0.000 0.997 970 E CA -0.510 56.006 56.400 0.193 0.000 0.817 970 E CB 1.160 30.939 29.700 0.131 0.000 1.096 970 E HN 0.388 nan 8.360 nan 0.000 0.393 971 L N 2.532 123.854 121.223 0.164 0.000 2.330 971 L HA 0.554 4.895 4.340 0.001 0.000 0.271 971 L C -0.567 176.382 176.870 0.133 0.000 1.013 971 L CA -0.943 53.985 54.840 0.148 0.000 0.816 971 L CB 1.479 43.595 42.059 0.094 0.000 1.287 971 L HN 0.446 nan 8.230 nan 0.000 0.435 972 D N 0.595 121.075 120.400 0.134 0.000 2.490 972 D HA 0.853 5.494 4.640 0.001 0.000 0.232 972 D C -0.991 175.331 176.300 0.035 0.000 1.053 972 D CA -0.172 53.901 54.000 0.122 0.000 0.914 972 D CB 2.401 43.352 40.800 0.253 0.000 1.431 972 D HN 0.714 nan 8.370 nan 0.000 0.483 973 A N 0.000 122.836 122.820 0.025 0.000 2.610 973 A HA 0.720 5.040 4.320 0.001 0.000 0.291 973 A C -0.478 177.107 177.584 0.002 0.000 1.086 973 A CA -0.762 51.270 52.037 -0.009 0.000 0.677 973 A CB 1.069 20.061 19.000 -0.014 0.000 1.278 973 A HN 0.479 nan 8.150 nan 0.000 0.414 974 T N -1.980 112.572 114.554 -0.004 0.000 2.902 974 T HA 0.464 4.814 4.350 0.001 0.000 0.280 974 T C 1.114 175.845 174.700 0.051 0.000 0.992 974 T CA 0.617 62.733 62.100 0.027 0.000 1.015 974 T CB 0.686 69.566 68.868 0.021 0.000 1.044 974 T HN 0.858 nan 8.240 nan 0.000 0.520 975 H N 1.629 120.698 119.070 -0.002 0.000 2.315 975 H HA -0.246 4.311 4.556 0.001 0.000 0.284 975 H C 2.380 177.711 175.328 0.006 0.000 1.102 975 H CA 3.154 59.206 56.048 0.006 0.000 1.159 975 H CB -0.935 28.836 29.762 0.015 0.000 1.382 975 H HN 0.846 nan 8.280 nan 0.000 0.542 976 G N -1.996 106.934 108.800 0.217 0.000 2.440 976 G HA2 -0.299 3.662 3.960 0.001 0.000 0.218 976 G HA3 -0.299 3.662 3.960 0.001 0.000 0.218 976 G C 1.747 176.667 174.900 0.033 0.000 1.154 976 G CA 1.461 46.640 45.100 0.132 0.000 0.767 976 G HN 0.522 nan 8.290 nan 0.000 0.552 977 T N 1.539 116.103 114.554 0.017 0.000 2.777 977 T HA 0.083 4.434 4.350 0.001 0.000 0.266 977 T C 2.811 177.497 174.700 -0.023 0.000 1.040 977 T CA 1.363 63.460 62.100 -0.005 0.000 1.141 977 T CB -0.331 68.530 68.868 -0.012 0.000 0.868 977 T HN 0.376 nan 8.240 nan 0.000 0.444 978 A N 1.555 124.347 122.820 -0.048 0.000 1.933 978 A HA -0.038 4.283 4.320 0.001 0.000 0.218 978 A C 2.247 179.779 177.584 -0.086 0.000 1.175 978 A CA 0.969 52.963 52.037 -0.072 0.000 0.628 978 A CB -0.657 18.281 19.000 -0.103 0.000 0.814 978 A HN 0.379 nan 8.150 nan 0.000 0.444 979 I N 0.034 120.536 120.570 -0.114 0.000 2.099 979 I HA -0.208 3.962 4.170 0.001 0.000 0.239 979 I C 2.511 178.606 176.117 -0.036 0.000 1.066 979 I CA 1.509 62.755 61.300 -0.090 0.000 1.324 979 I CB -1.215 36.747 38.000 -0.062 0.000 1.037 979 I HN 0.177 nan 8.210 nan 0.000 0.401 980 V N 1.026 120.930 119.914 -0.017 0.000 2.407 980 V HA -0.248 3.872 4.120 0.001 0.000 0.248 980 V C 2.524 178.617 176.094 -0.001 0.000 1.055 980 V CA 1.425 63.725 62.300 -0.001 0.000 1.049 980 V CB -0.614 31.214 31.823 0.008 0.000 0.662 980 V HN 0.338 nan 8.190 nan 0.000 0.455 981 L N 0.391 121.610 121.223 -0.007 0.000 2.109 981 L HA 0.037 4.377 4.340 0.001 0.000 0.207 981 L C 2.679 179.548 176.870 -0.002 0.000 1.086 981 L CA 1.463 56.303 54.840 -0.001 0.000 0.760 981 L CB -1.084 40.975 42.059 -0.001 0.000 0.910 981 L HN 0.434 nan 8.230 nan 0.000 0.437 982 G N -0.193 108.599 108.800 -0.014 0.000 2.418 982 G HA2 -0.249 3.712 3.960 0.001 0.000 0.217 982 G HA3 -0.249 3.712 3.960 0.001 0.000 0.217 982 G C 1.393 176.290 174.900 -0.005 0.000 1.158 982 G CA 0.519 45.612 45.100 -0.013 0.000 0.771 982 G HN 0.384 nan 8.290 nan 0.000 0.545 983 E N 0.249 120.446 120.200 -0.005 0.000 2.333 983 E HA 0.090 4.441 4.350 0.001 0.000 0.198 983 E C 2.353 178.957 176.600 0.007 0.000 1.007 983 E CA 0.548 56.949 56.400 0.002 0.000 0.845 983 E CB -0.010 29.692 29.700 0.003 0.000 0.766 983 E HN 0.446 nan 8.360 nan 0.000 0.507 984 A N -0.394 122.431 122.820 0.009 0.000 2.348 984 A HA 0.406 4.726 4.320 0.001 0.000 0.224 984 A C 1.487 179.079 177.584 0.014 0.000 1.227 984 A CA 0.511 52.556 52.037 0.014 0.000 0.885 984 A CB 0.160 19.171 19.000 0.019 0.000 0.933 984 A HN 0.260 nan 8.150 nan 0.000 0.506 985 G N -0.773 108.033 108.800 0.011 0.000 2.141 985 G HA2 -0.181 3.780 3.960 0.001 0.000 0.231 985 G HA3 -0.181 3.780 3.960 0.001 0.000 0.231 985 G C -0.035 174.873 174.900 0.014 0.000 0.984 985 G CA 0.172 45.279 45.100 0.012 0.000 0.660 985 G HN 0.444 nan 8.290 nan 0.000 0.525 986 I N 1.438 122.016 120.570 0.013 0.000 2.382 986 I HA 0.272 4.442 4.170 0.001 0.000 0.285 986 I C -0.331 175.792 176.117 0.010 0.000 1.007 986 I CA -0.650 60.659 61.300 0.016 0.000 1.142 986 I CB 1.264 39.276 38.000 0.020 0.000 1.289 986 I HN 0.128 nan 8.210 nan 0.000 0.453 987 N N 8.463 127.170 118.700 0.013 0.000 2.589 987 N HA 0.327 5.067 4.740 0.001 0.000 0.232 987 N C -2.397 173.123 175.510 0.016 0.000 1.015 987 N CA -1.316 51.738 53.050 0.008 0.000 0.931 987 N CB 0.825 39.315 38.487 0.005 0.000 1.150 987 N HN 0.360 nan 8.380 nan 0.000 0.512 988 P HA 0.116 nan 4.420 nan 0.000 0.277 988 P C -0.652 176.663 177.300 0.025 0.000 1.271 988 P CA -0.539 62.577 63.100 0.027 0.000 0.795 988 P CB 1.040 32.752 31.700 0.019 0.000 1.101 989 R N 0.949 121.475 120.500 0.043 0.000 2.221 989 R HA 0.329 4.670 4.340 0.001 0.000 0.327 989 R C -0.325 175.998 176.300 0.039 0.000 1.033 989 R CA -0.760 55.363 56.100 0.040 0.000 0.887 989 R CB -0.037 30.294 30.300 0.051 0.000 1.057 989 R HN 0.375 nan 8.270 nan 0.000 0.455 990 L N 5.259 126.495 121.223 0.021 0.000 2.416 990 L HA 0.250 4.591 4.340 0.001 0.000 0.272 990 L C -0.853 176.039 176.870 0.036 0.000 1.161 990 L CA 0.432 55.282 54.840 0.017 0.000 0.845 990 L CB 1.407 43.466 42.059 -0.000 0.000 1.119 990 L HN 0.487 nan 8.230 nan 0.000 0.464 991 V N 5.613 125.554 119.914 0.045 0.000 2.876 991 V HA 0.489 4.610 4.120 0.001 0.000 0.312 991 V C -0.387 175.734 176.094 0.045 0.000 1.085 991 V CA -0.798 61.537 62.300 0.059 0.000 0.945 991 V CB 2.388 34.275 31.823 0.106 0.000 1.017 991 V HN 0.965 nan 8.190 nan 0.000 0.428 992 N N 3.674 122.399 118.700 0.041 0.000 2.514 992 N HA 0.342 5.083 4.740 0.001 0.000 0.277 992 N C -0.638 174.870 175.510 -0.005 0.000 1.126 992 N CA -0.452 52.608 53.050 0.016 0.000 0.978 992 N CB 1.005 39.499 38.487 0.013 0.000 1.106 992 N HN 0.586 nan 8.380 nan 0.000 0.461 993 K N 0.540 120.862 120.400 -0.131 0.000 2.187 993 K HA 0.073 4.394 4.320 0.001 0.000 0.247 993 K C 0.879 177.326 176.600 -0.256 0.000 1.019 993 K CA -0.444 55.693 56.287 -0.251 0.000 0.893 993 K CB 0.644 32.855 32.500 -0.481 0.000 1.025 993 K HN 0.235 nan 8.250 nan 0.000 0.500 994 V N 1.350 121.110 119.914 -0.256 0.000 2.427 994 V HA -0.235 3.885 4.120 0.001 0.000 0.248 994 V C 1.922 177.963 176.094 -0.088 0.000 1.051 994 V CA 2.097 64.255 62.300 -0.236 0.000 1.048 994 V CB -1.111 30.457 31.823 -0.425 0.000 0.666 994 V HN 0.822 nan 8.190 nan 0.000 0.456 995 H N -0.152 118.918 119.070 0.000 0.000 2.495 995 H HA -0.013 4.544 4.556 0.001 0.000 0.287 995 H C 1.929 177.276 175.328 0.032 0.000 1.033 995 H CA 1.395 57.450 56.048 0.012 0.000 1.307 995 H CB -0.466 29.290 29.762 -0.010 0.000 1.401 995 H HN 0.451 nan 8.280 nan 0.000 0.555 996 E N 0.460 120.481 120.200 -0.299 0.000 2.204 996 E HA 0.162 4.513 4.350 0.001 0.000 0.194 996 E C 0.918 177.516 176.600 -0.004 0.000 0.989 996 E CA 0.643 56.988 56.400 -0.092 0.000 0.824 996 E CB 0.175 29.790 29.700 -0.142 0.000 0.756 996 E HN 0.688 nan 8.360 nan 0.000 0.477 997 G N -0.131 108.679 108.800 0.017 0.000 2.302 997 G HA2 0.066 4.027 3.960 0.001 0.000 0.264 997 G HA3 0.066 4.027 3.960 0.001 0.000 0.264 997 G C -1.431 173.468 174.900 -0.003 0.000 1.335 997 G CA -0.881 44.234 45.100 0.026 0.000 0.982 997 G HN 0.031 nan 8.290 nan 0.000 0.473 998 R N 0.341 120.807 120.500 -0.057 0.000 2.795 998 R HA 0.748 5.089 4.340 0.001 0.000 0.275 998 R C -2.224 174.011 176.300 -0.109 0.000 0.981 998 R CA -1.156 54.855 56.100 -0.147 0.000 0.917 998 R CB 1.726 31.928 30.300 -0.163 0.000 1.202 998 R HN 0.582 nan 8.270 nan 0.000 0.469 999 P HA 0.221 nan 4.420 nan 0.000 0.276 999 P C -1.131 176.052 177.300 -0.194 0.000 1.261 999 P CA -0.370 62.565 63.100 -0.276 0.000 0.800 999 P CB 0.530 32.092 31.700 -0.230 0.000 1.066 1000 H N -0.912 118.145 119.070 -0.021 0.000 2.713 1000 H HA 0.363 4.920 4.556 0.001 0.000 0.340 1000 H C 1.414 176.745 175.328 0.005 0.000 1.271 1000 H CA -0.950 55.083 56.048 -0.025 0.000 1.306 1000 H CB 1.276 31.008 29.762 -0.049 0.000 1.839 1000 H HN 0.311 nan 8.280 nan 0.000 0.627 1001 I N -1.984 118.730 120.570 0.240 0.000 2.145 1001 I HA -0.336 3.834 4.170 0.001 0.000 0.244 1001 I C 2.336 178.573 176.117 0.200 0.000 1.075 1001 I CA 1.662 63.072 61.300 0.184 0.000 1.332 1001 I CB -0.668 37.371 38.000 0.064 0.000 1.033 1001 I HN 0.535 nan 8.210 nan 0.000 0.410 1002 Q N 1.601 121.487 119.800 0.143 0.000 2.112 1002 Q HA -0.269 4.071 4.340 0.001 0.000 0.206 1002 Q C 1.840 177.945 176.000 0.175 0.000 0.987 1002 Q CA 2.493 58.353 55.803 0.096 0.000 0.858 1002 Q CB -0.378 28.280 28.738 -0.133 0.000 0.905 1002 Q HN 0.629 nan 8.270 nan 0.000 0.420 1003 D N -0.152 120.438 120.400 0.318 0.000 2.097 1003 D HA -0.134 4.507 4.640 0.001 0.000 0.195 1003 D C 2.123 178.406 176.300 -0.029 0.000 0.989 1003 D CA 0.985 55.026 54.000 0.069 0.000 0.827 1003 D CB -0.124 40.617 40.800 -0.100 0.000 0.966 1003 D HN 0.290 nan 8.370 nan 0.000 0.456 1004 R N 0.219 120.727 120.500 0.013 0.000 2.081 1004 R HA -0.026 4.315 4.340 0.001 0.000 0.235 1004 R C 2.620 178.861 176.300 -0.099 0.000 1.131 1004 R CA 0.640 56.682 56.100 -0.096 0.000 0.960 1004 R CB -0.308 29.921 30.300 -0.118 0.000 0.856 1004 R HN 0.218 nan 8.270 nan 0.000 0.436 1005 I N 1.228 121.852 120.570 0.092 0.000 2.163 1005 I HA -0.341 3.829 4.170 0.001 0.000 0.243 1005 I C 2.666 178.638 176.117 -0.242 0.000 1.085 1005 I CA 1.444 62.799 61.300 0.093 0.000 1.347 1005 I CB -0.281 37.803 38.000 0.141 0.000 1.044 1005 I HN 0.164 nan 8.210 nan 0.000 0.408 1006 K N 1.154 121.299 120.400 -0.426 0.000 2.103 1006 K HA -0.219 4.102 4.320 0.001 0.000 0.207 1006 K C 1.440 177.713 176.600 -0.546 0.000 1.048 1006 K CA 2.033 57.774 56.287 -0.909 0.000 0.930 1006 K CB -0.162 32.016 32.500 -0.538 0.000 0.716 1006 K HN 0.254 nan 8.250 nan 0.000 0.444 1007 N N -0.527 117.998 118.700 -0.292 0.000 2.449 1007 N HA 0.065 4.805 4.740 0.001 0.000 0.191 1007 N C 0.249 175.663 175.510 -0.160 0.000 1.161 1007 N CA 0.791 53.724 53.050 -0.195 0.000 0.863 1007 N CB 0.704 39.098 38.487 -0.155 0.000 0.980 1007 N HN 0.478 nan 8.380 nan 0.000 0.458 1008 G N 0.426 109.130 108.800 -0.161 0.000 2.153 1008 G HA2 -0.343 3.618 3.960 0.001 0.000 0.252 1008 G HA3 -0.343 3.618 3.960 0.001 0.000 0.252 1008 G C 0.852 175.687 174.900 -0.109 0.000 0.994 1008 G CA 0.524 45.578 45.100 -0.077 0.000 0.698 1008 G HN 0.370 nan 8.290 nan 0.000 0.521 1009 E N -1.220 118.827 120.200 -0.255 0.000 2.265 1009 E HA 0.068 4.419 4.350 0.001 0.000 0.196 1009 E C 0.525 176.849 176.600 -0.460 0.000 0.996 1009 E CA 1.030 57.168 56.400 -0.436 0.000 0.832 1009 E CB -0.028 29.259 29.700 -0.688 0.000 0.756 1009 E HN 0.714 nan 8.360 nan 0.000 0.491 1010 Y N -1.760 118.567 120.300 0.045 0.000 2.509 1010 Y HA 0.271 4.822 4.550 0.001 0.000 0.341 1010 Y C 1.271 177.242 175.900 0.118 0.000 1.038 1010 Y CA -0.619 57.534 58.100 0.088 0.000 1.089 1010 Y CB 1.831 40.333 38.460 0.069 0.000 1.241 1010 Y HN -0.141 nan 8.280 nan 0.000 0.468 1011 T N -2.736 112.043 114.554 0.376 0.000 2.971 1011 T HA 0.227 4.578 4.350 0.001 0.000 0.252 1011 T C -0.688 174.262 174.700 0.416 0.000 1.022 1011 T CA 0.153 62.435 62.100 0.304 0.000 0.980 1011 T CB -0.001 68.966 68.868 0.166 0.000 1.044 1011 T HN 0.431 nan 8.240 nan 0.000 0.501 1012 Y N 0.374 120.827 120.300 0.255 0.000 2.513 1012 Y HA 0.682 5.233 4.550 0.001 0.000 0.340 1012 Y C -2.165 173.754 175.900 0.030 0.000 1.055 1012 Y CA -2.726 55.465 58.100 0.152 0.000 1.020 1012 Y CB 1.586 40.064 38.460 0.031 0.000 1.301 1012 Y HN 0.145 nan 8.280 nan 0.000 0.453 1013 I N 7.096 127.232 120.570 -0.723 0.000 2.478 1013 I HA 0.364 4.535 4.170 0.001 0.000 0.287 1013 I C -1.434 174.162 176.117 -0.869 0.000 1.042 1013 I CA -0.870 60.027 61.300 -0.671 0.000 1.067 1013 I CB 1.980 39.772 38.000 -0.346 0.000 1.233 1013 I HN 0.472 nan 8.210 nan 0.000 0.431 1014 I N 7.345 127.500 120.570 -0.692 0.000 2.390 1014 I HA 0.378 4.549 4.170 0.001 0.000 0.283 1014 I C -0.847 175.138 176.117 -0.221 0.000 1.016 1014 I CA -0.402 60.648 61.300 -0.417 0.000 1.151 1014 I CB 0.728 38.554 38.000 -0.290 0.000 1.293 1014 I HN 0.586 nan 8.210 nan 0.000 0.458 1015 N N 5.699 124.321 118.700 -0.129 0.000 2.576 1015 N HA 0.327 5.068 4.740 0.001 0.000 0.269 1015 N C -1.140 174.350 175.510 -0.033 0.000 1.058 1015 N CA -0.246 52.751 53.050 -0.089 0.000 0.860 1015 N CB 1.122 39.542 38.487 -0.111 0.000 1.249 1015 N HN 0.642 nan 8.380 nan 0.000 0.525 1016 T N 0.421 114.959 114.554 -0.027 0.000 2.859 1016 T HA 0.629 4.979 4.350 0.001 0.000 0.281 1016 T C -0.287 174.404 174.700 -0.015 0.000 1.005 1016 T CA -0.314 61.785 62.100 -0.002 0.000 1.025 1016 T CB 1.810 70.687 68.868 0.016 0.000 0.977 1016 T HN 0.258 nan 8.240 nan 0.000 0.458 1017 T N 1.595 116.142 114.554 -0.013 0.000 2.956 1017 T HA 0.621 4.972 4.350 0.001 0.000 0.312 1017 T C -0.951 173.721 174.700 -0.045 0.000 1.151 1017 T CA -0.821 61.257 62.100 -0.036 0.000 1.024 1017 T CB 1.895 70.740 68.868 -0.039 0.000 1.140 1017 T HN 0.668 nan 8.240 nan 0.000 0.473 1018 S N 0.960 116.598 115.700 -0.105 0.000 2.672 1018 S HA 0.807 5.278 4.470 0.001 0.000 0.291 1018 S C -0.207 174.206 174.600 -0.313 0.000 1.145 1018 S CA 0.209 58.281 58.200 -0.214 0.000 1.013 1018 S CB 0.755 63.778 63.200 -0.296 0.000 1.017 1018 S HN 1.502 nan 8.310 nan 0.000 0.487 1019 G N 3.199 111.839 108.800 -0.266 0.000 2.697 1019 G HA2 -0.035 3.926 3.960 0.001 0.000 0.684 1019 G HA3 -0.035 3.926 3.960 0.001 0.000 0.684 1019 G C -0.084 174.781 174.900 -0.058 0.000 1.274 1019 G CA -0.747 44.241 45.100 -0.186 0.000 0.806 1019 G HN 0.571 nan 8.290 nan 0.000 0.644 1020 R N 0.381 120.878 120.500 -0.005 0.000 2.105 1020 R HA 0.010 4.351 4.340 0.001 0.000 0.239 1020 R C 2.729 179.021 176.300 -0.013 0.000 1.135 1020 R CA 2.075 58.178 56.100 0.005 0.000 0.967 1020 R CB -0.249 30.070 30.300 0.030 0.000 0.861 1020 R HN 0.522 nan 8.270 nan 0.000 0.442 1021 R N -0.263 120.223 120.500 -0.024 0.000 2.064 1021 R HA -0.008 4.333 4.340 0.001 0.000 0.228 1021 R C 1.995 178.271 176.300 -0.039 0.000 1.144 1021 R CA 1.677 57.758 56.100 -0.031 0.000 0.932 1021 R CB -0.924 29.354 30.300 -0.036 0.000 0.833 1021 R HN 0.292 nan 8.270 nan 0.000 0.429 1022 A N 1.417 124.206 122.820 -0.052 0.000 1.896 1022 A HA -0.234 4.086 4.320 0.001 0.000 0.220 1022 A C 2.421 179.978 177.584 -0.044 0.000 1.206 1022 A CA 2.003 54.009 52.037 -0.051 0.000 0.647 1022 A CB -0.858 18.101 19.000 -0.069 0.000 0.828 1022 A HN 0.363 nan 8.150 nan 0.000 0.455 1023 I N -0.558 119.985 120.570 -0.045 0.000 2.091 1023 I HA -0.327 3.843 4.170 0.001 0.000 0.239 1023 I C 2.569 178.663 176.117 -0.038 0.000 1.061 1023 I CA 2.095 63.371 61.300 -0.039 0.000 1.317 1023 I CB -0.471 37.511 38.000 -0.030 0.000 1.031 1023 I HN 0.459 nan 8.210 nan 0.000 0.401 1024 E N 0.178 120.360 120.200 -0.031 0.000 2.209 1024 E HA -0.242 4.108 4.350 0.001 0.000 0.196 1024 E C 1.407 177.989 176.600 -0.030 0.000 0.993 1024 E CA 1.163 57.547 56.400 -0.028 0.000 0.819 1024 E CB -0.081 29.607 29.700 -0.020 0.000 0.745 1024 E HN 0.504 nan 8.360 nan 0.000 0.477 1025 D N -0.499 119.883 120.400 -0.031 0.000 2.305 1025 D HA -0.024 4.617 4.640 0.001 0.000 0.206 1025 D C 1.687 177.973 176.300 -0.023 0.000 0.974 1025 D CA 0.660 54.645 54.000 -0.024 0.000 0.871 1025 D CB 0.222 41.008 40.800 -0.023 0.000 0.947 1025 D HN 0.082 nan 8.370 nan 0.000 0.516 1026 S N -0.141 115.537 115.700 -0.037 0.000 2.575 1026 S HA 0.053 4.523 4.470 0.001 0.000 0.215 1026 S C 1.720 176.277 174.600 -0.073 0.000 0.966 1026 S CA -0.374 57.795 58.200 -0.051 0.000 0.911 1026 S CB 0.430 63.597 63.200 -0.054 0.000 0.780 1026 S HN 0.105 nan 8.310 nan 0.000 0.514 1027 R N 1.482 121.943 120.500 -0.066 0.000 2.133 1027 R HA -0.126 4.215 4.340 0.001 0.000 0.247 1027 R C 2.098 178.342 176.300 -0.094 0.000 1.151 1027 R CA 1.746 57.798 56.100 -0.079 0.000 0.971 1027 R CB -0.727 29.537 30.300 -0.060 0.000 0.866 1027 R HN 0.401 nan 8.270 nan 0.000 0.447 1028 V N 0.835 120.700 119.914 -0.082 0.000 2.490 1028 V HA -0.194 3.927 4.120 0.001 0.000 0.250 1028 V C 2.013 178.045 176.094 -0.103 0.000 1.061 1028 V CA 1.838 64.088 62.300 -0.084 0.000 1.064 1028 V CB -0.183 31.589 31.823 -0.084 0.000 0.670 1028 V HN 0.354 nan 8.190 nan 0.000 0.461 1029 I N -0.164 120.331 120.570 -0.125 0.000 2.252 1029 I HA -0.166 4.005 4.170 0.001 0.000 0.245 1029 I C 2.777 178.743 176.117 -0.252 0.000 1.102 1029 I CA 1.701 62.907 61.300 -0.157 0.000 1.385 1029 I CB -0.451 37.452 38.000 -0.162 0.000 1.064 1029 I HN 0.211 nan 8.210 nan 0.000 0.414 1030 R N 0.543 120.866 120.500 -0.295 0.000 2.066 1030 R HA -0.053 4.288 4.340 0.001 0.000 0.232 1030 R C 2.484 178.547 176.300 -0.395 0.000 1.131 1030 R CA 1.097 56.909 56.100 -0.480 0.000 0.955 1030 R CB -0.326 29.771 30.300 -0.339 0.000 0.851 1030 R HN 0.322 nan 8.270 nan 0.000 0.432 1031 R N 0.273 120.640 120.500 -0.222 0.000 2.083 1031 R HA -0.075 4.266 4.340 0.001 0.000 0.237 1031 R C 2.387 178.616 176.300 -0.119 0.000 1.137 1031 R CA 1.818 57.832 56.100 -0.144 0.000 0.951 1031 R CB -0.374 29.871 30.300 -0.091 0.000 0.851 1031 R HN 0.147 nan 8.270 nan 0.000 0.434 1032 S N 0.982 116.638 115.700 -0.073 0.000 2.368 1032 S HA -0.093 4.378 4.470 0.001 0.000 0.224 1032 S C 2.159 176.805 174.600 0.077 0.000 1.029 1032 S CA 1.045 59.286 58.200 0.068 0.000 0.988 1032 S CB -0.205 63.083 63.200 0.148 0.000 0.838 1032 S HN 0.468 nan 8.310 nan 0.000 0.462 1033 A N 1.996 124.747 122.820 -0.115 0.000 1.851 1033 A HA -0.121 4.200 4.320 0.001 0.000 0.216 1033 A C 2.139 179.689 177.584 -0.057 0.000 1.195 1033 A CA 1.687 53.634 52.037 -0.150 0.000 0.622 1033 A CB -1.040 17.623 19.000 -0.561 0.000 0.831 1033 A HN 0.394 nan 8.150 nan 0.000 0.444 1034 L N -0.158 120.981 121.223 -0.139 0.000 1.978 1034 L HA -0.284 4.057 4.340 0.001 0.000 0.218 1034 L C 2.632 179.488 176.870 -0.022 0.000 1.075 1034 L CA 2.836 57.695 54.840 0.032 0.000 0.767 1034 L CB -0.857 41.221 42.059 0.032 0.000 0.890 1034 L HN 0.642 nan 8.230 nan 0.000 0.434 1035 Q N -1.811 117.901 119.800 -0.147 0.000 2.181 1035 Q HA -0.250 4.090 4.340 0.001 0.000 0.205 1035 Q C 1.437 177.120 176.000 -0.528 0.000 0.980 1035 Q CA 2.065 57.651 55.803 -0.362 0.000 0.862 1035 Q CB -0.165 28.251 28.738 -0.535 0.000 0.905 1035 Q HN 0.715 nan 8.270 nan 0.000 0.429 1036 Y N -0.041 120.278 120.300 0.031 0.000 2.485 1036 Y HA 0.168 4.719 4.550 0.001 0.000 0.260 1036 Y C -0.038 175.904 175.900 0.070 0.000 1.173 1036 Y CA -0.282 57.846 58.100 0.047 0.000 1.252 1036 Y CB 0.844 39.333 38.460 0.048 0.000 1.123 1036 Y HN -0.041 nan 8.280 nan 0.000 0.524 1037 K N -0.915 119.579 120.400 0.157 0.000 3.167 1037 K HA -0.138 4.182 4.320 0.001 0.000 0.272 1037 K C -0.841 175.884 176.600 0.208 0.000 1.137 1037 K CA 0.351 56.737 56.287 0.165 0.000 0.800 1037 K CB -2.567 30.012 32.500 0.133 0.000 1.253 1037 K HN 0.113 nan 8.250 nan 0.000 0.497 1038 V N 1.579 121.633 119.914 0.233 0.000 2.383 1038 V HA 0.128 4.249 4.120 0.001 0.000 0.275 1038 V C 0.727 177.008 176.094 0.312 0.000 1.036 1038 V CA -0.737 61.717 62.300 0.256 0.000 0.889 1038 V CB 1.075 33.032 31.823 0.223 0.000 0.985 1038 V HN 0.356 nan 8.190 nan 0.000 0.459 1039 H N 5.420 124.648 119.070 0.263 0.000 2.928 1039 H HA 0.326 4.883 4.556 0.001 0.000 0.338 1039 H C -0.669 174.858 175.328 0.331 0.000 1.047 1039 H CA 0.247 56.455 56.048 0.265 0.000 1.435 1039 H CB 0.222 30.125 29.762 0.235 0.000 1.428 1039 H HN 0.698 nan 8.280 nan 0.000 0.590 1040 Y N 1.416 121.270 120.300 -0.744 0.000 2.544 1040 Y HA 0.445 4.995 4.550 0.001 0.000 0.342 1040 Y C -1.595 174.041 175.900 -0.441 0.000 1.062 1040 Y CA -1.350 56.449 58.100 -0.501 0.000 1.023 1040 Y CB 1.382 39.658 38.460 -0.306 0.000 1.308 1040 Y HN 0.445 nan 8.280 nan 0.000 0.457 1041 D N 1.446 121.720 120.400 -0.209 0.000 2.248 1041 D HA 0.273 4.914 4.640 0.001 0.000 0.246 1041 D C 0.305 176.606 176.300 0.002 0.000 1.027 1041 D CA -0.341 53.614 54.000 -0.076 0.000 0.853 1041 D CB 2.177 43.068 40.800 0.152 0.000 1.243 1041 D HN 0.810 nan 8.370 nan 0.000 0.462 1042 T N -2.727 111.841 114.554 0.024 0.000 3.085 1042 T HA 0.189 4.540 4.350 0.001 0.000 0.264 1042 T C 0.501 175.241 174.700 0.067 0.000 1.019 1042 T CA -0.162 61.980 62.100 0.070 0.000 0.910 1042 T CB -0.115 68.817 68.868 0.107 0.000 1.059 1042 T HN 0.425 nan 8.240 nan 0.000 0.542 1043 T N -1.159 113.441 114.554 0.077 0.000 2.900 1043 T HA 0.619 4.970 4.350 0.001 0.000 0.303 1043 T C 0.418 175.183 174.700 0.108 0.000 1.142 1043 T CA -0.873 61.287 62.100 0.100 0.000 1.007 1043 T CB 1.708 70.651 68.868 0.125 0.000 1.156 1043 T HN -0.081 nan 8.240 nan 0.000 0.490 1044 L N 1.775 123.074 121.223 0.127 0.000 2.156 1044 L HA 0.148 4.488 4.340 0.001 0.000 0.208 1044 L C 2.158 179.190 176.870 0.270 0.000 1.095 1044 L CA 1.540 56.473 54.840 0.154 0.000 0.770 1044 L CB -0.937 41.239 42.059 0.195 0.000 0.914 1044 L HN 0.697 nan 8.230 nan 0.000 0.439 1045 N N -0.141 118.711 118.700 0.253 0.000 2.104 1045 N HA -0.137 4.603 4.740 0.001 0.000 0.190 1045 N C 1.813 177.453 175.510 0.216 0.000 1.024 1045 N CA 1.436 54.645 53.050 0.264 0.000 0.853 1045 N CB -0.854 37.752 38.487 0.199 0.000 1.008 1045 N HN 0.440 nan 8.380 nan 0.000 0.424 1046 G N 0.016 108.923 108.800 0.178 0.000 2.418 1046 G HA2 -0.180 3.781 3.960 0.001 0.000 0.217 1046 G HA3 -0.180 3.781 3.960 0.001 0.000 0.217 1046 G C 1.623 176.611 174.900 0.147 0.000 1.158 1046 G CA 1.125 46.328 45.100 0.171 0.000 0.771 1046 G HN 0.443 nan 8.290 nan 0.000 0.545 1047 G N 0.343 109.219 108.800 0.127 0.000 2.418 1047 G HA2 -0.148 3.813 3.960 0.001 0.000 0.217 1047 G HA3 -0.148 3.813 3.960 0.001 0.000 0.217 1047 G C 1.587 176.431 174.900 -0.092 0.000 1.158 1047 G CA 0.690 45.828 45.100 0.064 0.000 0.771 1047 G HN 0.337 nan 8.290 nan 0.000 0.545 1048 F N 1.655 121.612 119.950 0.011 0.000 2.216 1048 F HA 0.092 4.619 4.527 0.001 0.000 0.300 1048 F C 2.942 178.683 175.800 -0.099 0.000 1.085 1048 F CA 0.907 58.889 58.000 -0.031 0.000 1.326 1048 F CB -0.152 38.840 39.000 -0.013 0.000 1.027 1048 F HN 0.246 nan 8.300 nan 0.000 0.497 1049 A N -0.994 121.798 122.820 -0.047 0.000 1.930 1049 A HA -0.103 4.218 4.320 0.001 0.000 0.215 1049 A C 2.229 179.502 177.584 -0.518 0.000 1.176 1049 A CA 1.891 53.635 52.037 -0.489 0.000 0.632 1049 A CB -1.155 17.179 19.000 -1.110 0.000 0.819 1049 A HN 0.292 nan 8.150 nan 0.000 0.445 1050 T N 0.349 114.795 114.554 -0.181 0.000 2.746 1050 T HA -0.052 4.299 4.350 0.001 0.000 0.267 1050 T C 2.229 176.851 174.700 -0.130 0.000 1.039 1050 T CA 1.600 63.694 62.100 -0.010 0.000 1.142 1050 T CB -0.407 68.446 68.868 -0.026 0.000 0.866 1050 T HN 0.579 nan 8.240 nan 0.000 0.444 1051 A N 1.413 124.133 122.820 -0.166 0.000 1.858 1051 A HA -0.098 4.223 4.320 0.001 0.000 0.216 1051 A C 2.344 179.904 177.584 -0.040 0.000 1.190 1051 A CA 1.740 53.690 52.037 -0.145 0.000 0.617 1051 A CB -0.751 18.165 19.000 -0.139 0.000 0.827 1051 A HN 0.465 nan 8.150 nan 0.000 0.443 1052 M N -0.428 119.180 119.600 0.013 0.000 2.106 1052 M HA -0.214 4.267 4.480 0.001 0.000 0.259 1052 M C 2.433 178.760 176.300 0.045 0.000 1.068 1052 M CA 1.611 56.948 55.300 0.062 0.000 1.100 1052 M CB -0.467 32.218 32.600 0.143 0.000 1.351 1052 M HN 0.481 nan 8.290 nan 0.000 0.404 1053 A N 0.108 122.949 122.820 0.035 0.000 2.125 1053 A HA -0.103 4.217 4.320 0.001 0.000 0.219 1053 A C 2.046 179.639 177.584 0.014 0.000 1.156 1053 A CA 1.177 53.250 52.037 0.060 0.000 0.671 1053 A CB -0.921 18.206 19.000 0.211 0.000 0.794 1053 A HN 0.489 nan 8.150 nan 0.000 0.459 1054 L N -0.845 120.378 121.223 -0.000 0.000 2.275 1054 L HA -0.173 4.167 4.340 0.001 0.000 0.215 1054 L C 1.942 178.826 176.870 0.024 0.000 1.119 1054 L CA 1.237 56.083 54.840 0.009 0.000 0.790 1054 L CB -0.475 41.595 42.059 0.018 0.000 0.919 1054 L HN 0.493 nan 8.230 nan 0.000 0.443 1055 N N -0.372 118.343 118.700 0.025 0.000 2.409 1055 N HA 0.039 4.779 4.740 0.001 0.000 0.179 1055 N C 0.633 176.152 175.510 0.015 0.000 1.032 1055 N CA 0.289 53.355 53.050 0.027 0.000 0.898 1055 N CB 0.164 38.672 38.487 0.036 0.000 0.971 1055 N HN 0.249 nan 8.380 nan 0.000 0.441 1056 A N 0.266 123.089 122.820 0.005 0.000 2.279 1056 A HA 0.345 4.666 4.320 0.001 0.000 0.303 1056 A C -0.814 176.751 177.584 -0.032 0.000 1.108 1056 A CA -0.359 51.672 52.037 -0.011 0.000 0.830 1056 A CB 0.777 19.768 19.000 -0.015 0.000 1.106 1056 A HN 0.011 nan 8.150 nan 0.000 0.493 1057 D N 0.817 121.192 120.400 -0.043 0.000 2.446 1057 D HA 0.522 5.163 4.640 0.001 0.000 0.251 1057 D C 0.841 177.089 176.300 -0.088 0.000 1.137 1057 D CA 0.269 54.229 54.000 -0.067 0.000 0.890 1057 D CB 1.207 41.971 40.800 -0.059 0.000 1.071 1057 D HN 0.467 nan 8.370 nan 0.000 0.528 1058 A N 2.387 125.136 122.820 -0.117 0.000 2.070 1058 A HA -0.111 4.210 4.320 0.001 0.000 0.220 1058 A C 1.743 179.238 177.584 -0.148 0.000 1.159 1058 A CA 1.814 53.770 52.037 -0.134 0.000 0.656 1058 A CB -0.395 18.507 19.000 -0.163 0.000 0.800 1058 A HN 0.551 nan 8.150 nan 0.000 0.453 1059 T N -3.598 110.856 114.554 -0.167 0.000 3.122 1059 T HA 0.196 4.547 4.350 0.001 0.000 0.250 1059 T C 1.257 175.877 174.700 -0.132 0.000 1.067 1059 T CA 0.608 62.601 62.100 -0.177 0.000 0.966 1059 T CB 0.248 68.978 68.868 -0.229 0.000 1.002 1059 T HN 0.559 nan 8.240 nan 0.000 0.542 1060 E N 1.763 121.903 120.200 -0.100 0.000 2.006 1060 E HA -0.007 4.344 4.350 0.001 0.000 0.192 1060 E C 0.742 177.303 176.600 -0.065 0.000 0.993 1060 E CA 0.724 57.081 56.400 -0.072 0.000 0.808 1060 E CB 0.212 29.882 29.700 -0.050 0.000 0.764 1060 E HN 0.571 nan 8.360 nan 0.000 0.449 1061 K N 0.366 120.731 120.400 -0.059 0.000 2.427 1061 K HA 0.335 4.656 4.320 0.001 0.000 0.252 1061 K C -1.071 175.500 176.600 -0.049 0.000 0.931 1061 K CA -0.698 55.560 56.287 -0.047 0.000 0.793 1061 K CB 2.128 34.614 32.500 -0.025 0.000 1.211 1061 K HN 0.030 nan 8.250 nan 0.000 0.426 1062 V N 2.037 121.926 119.914 -0.042 0.000 2.715 1062 V HA 0.743 4.864 4.120 0.001 0.000 0.310 1062 V C -0.497 175.666 176.094 0.115 0.000 1.054 1062 V CA -0.862 61.436 62.300 -0.004 0.000 0.928 1062 V CB 1.470 33.216 31.823 -0.128 0.000 1.007 1062 V HN 0.920 nan 8.190 nan 0.000 0.437 1063 I N 2.775 123.460 120.570 0.193 0.000 2.894 1063 I HA 0.707 4.878 4.170 0.001 0.000 0.302 1063 I C -0.031 176.028 176.117 -0.097 0.000 1.188 1063 I CA -0.269 61.085 61.300 0.090 0.000 1.014 1063 I CB 2.565 40.512 38.000 -0.089 0.000 1.242 1063 I HN 1.082 nan 8.210 nan 0.000 0.430 1064 S N 4.464 119.924 115.700 -0.399 0.000 2.654 1064 S HA 0.374 4.845 4.470 0.001 0.000 0.283 1064 S C 0.796 175.115 174.600 -0.468 0.000 1.180 1064 S CA -0.616 57.125 58.200 -0.765 0.000 1.021 1064 S CB 1.850 64.568 63.200 -0.804 0.000 1.018 1064 S HN 0.486 nan 8.310 nan 0.000 0.532 1065 V N 2.071 121.711 119.914 -0.455 0.000 2.515 1065 V HA -0.143 3.978 4.120 0.001 0.000 0.250 1065 V C 2.650 178.457 176.094 -0.478 0.000 1.058 1065 V CA 1.865 63.872 62.300 -0.489 0.000 1.064 1065 V CB -1.405 30.194 31.823 -0.374 0.000 0.675 1065 V HN 0.832 nan 8.190 nan 0.000 0.461 1066 Q N 0.576 120.200 119.800 -0.294 0.000 2.020 1066 Q HA -0.213 4.127 4.340 0.001 0.000 0.202 1066 Q C 2.255 178.175 176.000 -0.133 0.000 0.982 1066 Q CA 2.135 57.844 55.803 -0.155 0.000 0.838 1066 Q CB -0.386 28.285 28.738 -0.111 0.000 0.899 1066 Q HN 0.713 nan 8.270 nan 0.000 0.423 1067 E N 0.078 120.178 120.200 -0.167 0.000 2.097 1067 E HA -0.232 4.118 4.350 0.001 0.000 0.196 1067 E C 2.028 178.569 176.600 -0.099 0.000 1.000 1067 E CA 1.413 57.746 56.400 -0.112 0.000 0.804 1067 E CB -0.270 29.362 29.700 -0.114 0.000 0.740 1067 E HN 0.373 nan 8.360 nan 0.000 0.454 1068 M N 0.066 119.537 119.600 -0.214 0.000 2.065 1068 M HA -0.202 4.279 4.480 0.001 0.000 0.259 1068 M C 2.143 178.503 176.300 0.100 0.000 1.069 1068 M CA 1.791 56.972 55.300 -0.198 0.000 1.110 1068 M CB -0.599 31.706 32.600 -0.493 0.000 1.328 1068 M HN 0.235 nan 8.290 nan 0.000 0.405 1069 H N -0.584 118.511 119.070 0.041 0.000 2.457 1069 H HA -0.049 4.508 4.556 0.001 0.000 0.297 1069 H C 1.932 177.288 175.328 0.047 0.000 1.092 1069 H CA 0.706 56.791 56.048 0.061 0.000 1.309 1069 H CB -0.071 29.707 29.762 0.026 0.000 1.382 1069 H HN 0.474 nan 8.280 nan 0.000 0.535 1070 A N 0.640 123.543 122.820 0.139 0.000 2.235 1070 A HA -0.076 4.244 4.320 0.001 0.000 0.208 1070 A C 1.848 179.479 177.584 0.079 0.000 1.172 1070 A CA 0.629 52.716 52.037 0.082 0.000 0.786 1070 A CB 0.008 19.033 19.000 0.041 0.000 0.804 1070 A HN 0.466 nan 8.150 nan 0.000 0.479 1071 Q N -0.450 119.420 119.800 0.118 0.000 2.384 1071 Q HA 0.231 4.572 4.340 0.001 0.000 0.207 1071 Q C -0.138 175.915 176.000 0.088 0.000 0.904 1071 Q CA 0.015 55.886 55.803 0.113 0.000 0.933 1071 Q CB 0.319 29.168 28.738 0.186 0.000 1.077 1071 Q HN 0.664 nan 8.270 nan 0.000 0.522 1072 I N 1.920 122.545 120.570 0.091 0.000 2.496 1072 I HA 0.096 4.267 4.170 0.001 0.000 0.285 1072 I C 0.218 176.343 176.117 0.012 0.000 1.080 1072 I CA -0.178 61.141 61.300 0.032 0.000 1.404 1072 I CB 0.423 38.437 38.000 0.024 0.000 1.403 1072 I HN -0.208 nan 8.210 nan 0.000 0.539 1073 K N 0.000 120.394 120.400 -0.009 0.000 2.780 1073 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1073 K CA 0.000 56.281 56.287 -0.009 0.000 0.838 1073 K CB 0.000 32.493 32.500 -0.012 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543