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 1kee_1_A 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 0.000 176.245 176.300 -0.091 0.000 1.140 1 M CA 0.000 55.284 55.300 -0.027 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.001 0.000 1.302 2 P HA 0.264 nan 4.420 nan 0.000 0.302 2 P C -1.300 175.687 177.300 -0.522 0.000 1.307 2 P CA -0.360 62.551 63.100 -0.315 0.000 0.754 2 P CB 0.028 31.633 31.700 -0.158 0.000 1.298 3 K N 0.221 120.178 120.400 -0.740 0.000 2.436 3 K HA 0.101 4.422 4.320 0.002 0.000 0.275 3 K C 0.137 176.661 176.600 -0.127 0.000 0.999 3 K CA -0.115 55.889 56.287 -0.472 0.000 0.980 3 K CB 0.459 32.858 32.500 -0.168 0.000 0.919 3 K HN 0.222 nan 8.250 nan 0.000 0.484 4 R N 1.149 121.640 120.500 -0.014 0.000 2.679 4 R HA -0.039 4.302 4.340 0.002 0.000 0.268 4 R C 0.636 176.992 176.300 0.093 0.000 1.044 4 R CA 0.439 56.562 56.100 0.038 0.000 1.105 4 R CB 0.610 30.940 30.300 0.049 0.000 0.989 4 R HN 0.826 nan 8.270 nan 0.000 0.447 5 T N -0.071 114.513 114.554 0.050 0.000 2.978 5 T HA -0.045 4.306 4.350 0.002 0.000 0.248 5 T C 0.558 175.289 174.700 0.052 0.000 1.018 5 T CA 0.265 62.389 62.100 0.041 0.000 1.026 5 T CB 0.179 69.051 68.868 0.007 0.000 1.032 5 T HN 0.726 nan 8.240 nan 0.000 0.485 6 D N 1.053 121.483 120.400 0.050 0.000 2.332 6 D HA 0.063 4.704 4.640 0.002 0.000 0.244 6 D C 0.246 176.587 176.300 0.067 0.000 1.136 6 D CA 0.118 54.146 54.000 0.046 0.000 0.884 6 D CB -0.098 40.721 40.800 0.032 0.000 0.906 6 D HN 0.416 nan 8.370 nan 0.000 0.520 7 I N -0.083 120.553 120.570 0.110 0.000 2.499 7 I HA 0.204 4.375 4.170 0.002 0.000 0.288 7 I C 0.631 176.894 176.117 0.244 0.000 1.048 7 I CA -0.664 60.730 61.300 0.157 0.000 1.062 7 I CB 2.419 40.506 38.000 0.145 0.000 1.238 7 I HN -0.316 nan 8.210 nan 0.000 0.426 8 K N 2.118 122.636 120.400 0.196 0.000 2.424 8 K HA 0.173 4.494 4.320 0.002 0.000 0.200 8 K C 0.344 177.084 176.600 0.233 0.000 1.279 8 K CA 0.221 56.613 56.287 0.175 0.000 0.918 8 K CB 0.803 33.346 32.500 0.071 0.000 1.287 8 K HN 0.642 nan 8.250 nan 0.000 0.502 9 S N 0.660 116.458 115.700 0.163 0.000 2.472 9 S HA 0.671 5.142 4.470 0.002 0.000 0.303 9 S C -0.463 174.192 174.600 0.092 0.000 1.099 9 S CA -0.803 57.471 58.200 0.124 0.000 1.077 9 S CB 1.154 64.401 63.200 0.079 0.000 1.031 9 S HN 0.092 nan 8.310 nan 0.000 0.487 10 I N 2.699 123.310 120.570 0.068 0.000 2.569 10 I HA 0.409 4.580 4.170 0.002 0.000 0.290 10 I C -1.170 174.956 176.117 0.015 0.000 1.088 10 I CA -0.828 60.483 61.300 0.018 0.000 1.047 10 I CB 2.109 40.089 38.000 -0.034 0.000 1.237 10 I HN 0.654 nan 8.210 nan 0.000 0.421 11 L N 7.707 128.930 121.223 0.001 0.000 2.289 11 L HA 0.626 4.967 4.340 0.002 0.000 0.285 11 L C -0.916 175.950 176.870 -0.007 0.000 1.049 11 L CA 0.107 54.945 54.840 -0.005 0.000 0.804 11 L CB 0.812 42.856 42.059 -0.026 0.000 1.195 11 L HN 0.408 nan 8.230 nan 0.000 0.428 12 I N 6.227 126.798 120.570 0.002 0.000 2.362 12 I HA 0.279 4.450 4.170 0.002 0.000 0.289 12 I C -0.559 175.558 176.117 0.000 0.000 0.994 12 I CA -0.656 60.644 61.300 -0.000 0.000 1.158 12 I CB 1.450 39.454 38.000 0.007 0.000 1.315 12 I HN 0.465 nan 8.210 nan 0.000 0.451 13 L N 6.145 127.362 121.223 -0.010 0.000 2.315 13 L HA 0.368 4.709 4.340 0.002 0.000 0.283 13 L C 0.988 177.849 176.870 -0.015 0.000 1.089 13 L CA -0.187 54.643 54.840 -0.016 0.000 0.833 13 L CB 0.528 42.572 42.059 -0.026 0.000 1.170 13 L HN 0.695 nan 8.230 nan 0.000 0.442 14 G N 1.730 110.528 108.800 -0.003 0.000 2.588 14 G HA2 0.418 4.379 3.960 0.002 0.000 0.281 14 G HA3 0.418 4.379 3.960 0.002 0.000 0.281 14 G C 0.719 175.606 174.900 -0.022 0.000 1.236 14 G CA 0.147 45.251 45.100 0.008 0.000 0.969 14 G HN 0.752 nan 8.290 nan 0.000 0.504 15 A N -1.322 121.495 122.820 -0.005 0.000 2.081 15 A HA 0.562 4.883 4.320 0.002 0.000 0.214 15 A C 1.560 179.135 177.584 -0.014 0.000 1.158 15 A CA 1.585 53.593 52.037 -0.048 0.000 0.724 15 A CB -0.813 18.155 19.000 -0.053 0.000 0.826 15 A HN 2.530 nan 8.150 nan 0.000 0.463 16 G N -0.965 107.843 108.800 0.014 0.000 2.627 16 G HA2 -0.046 3.915 3.960 0.002 0.000 0.214 16 G HA3 -0.046 3.915 3.960 0.002 0.000 0.214 16 G C -3.029 171.881 174.900 0.017 0.000 1.331 16 G CA -0.466 44.638 45.100 0.007 0.000 0.891 16 G HN 0.337 nan 8.290 nan 0.000 0.539 17 P HA 0.365 nan 4.420 nan 0.000 0.268 17 P C 0.301 177.608 177.300 0.011 0.000 1.208 17 P CA -0.184 62.912 63.100 -0.007 0.000 0.777 17 P CB 0.322 32.005 31.700 -0.029 0.000 0.875 18 I N 2.168 122.743 120.570 0.009 0.000 2.496 18 I HA 0.145 4.316 4.170 0.002 0.000 0.285 18 I C 0.868 176.983 176.117 -0.004 0.000 1.080 18 I CA -0.181 61.131 61.300 0.020 0.000 1.404 18 I CB 0.273 38.279 38.000 0.009 0.000 1.403 18 I HN 0.191 nan 8.210 nan 0.000 0.539 19 V N 4.490 124.404 119.914 0.001 0.000 3.130 19 V HA 0.571 4.692 4.120 0.002 0.000 0.310 19 V C -0.067 176.005 176.094 -0.037 0.000 1.158 19 V CA -1.200 61.083 62.300 -0.029 0.000 1.029 19 V CB 1.981 33.783 31.823 -0.035 0.000 1.057 19 V HN 0.453 nan 8.190 nan 0.000 0.436 20 I N 2.367 122.892 120.570 -0.075 0.000 2.683 20 I HA 0.430 4.601 4.170 0.002 0.000 0.286 20 I C 1.552 177.615 176.117 -0.090 0.000 1.175 20 I CA 2.029 63.271 61.300 -0.097 0.000 1.429 20 I CB 0.619 38.528 38.000 -0.152 0.000 1.371 20 I HN 1.267 nan 8.210 nan 0.000 0.569 21 G N 4.636 113.389 108.800 -0.078 0.000 2.268 21 G HA2 -0.292 3.669 3.960 0.002 0.000 0.240 21 G HA3 -0.292 3.669 3.960 0.002 0.000 0.240 21 G C 0.328 175.258 174.900 0.050 0.000 1.010 21 G CA 0.182 45.244 45.100 -0.063 0.000 0.618 21 G HN 0.607 nan 8.290 nan 0.000 0.516 22 Q N 0.154 120.008 119.800 0.089 0.000 3.412 22 Q HA 0.676 5.017 4.340 0.002 0.000 0.219 22 Q C 0.175 176.306 176.000 0.218 0.000 0.913 22 Q CA 0.416 56.382 55.803 0.271 0.000 0.722 22 Q CB 0.590 29.439 28.738 0.186 0.000 1.385 22 Q HN 0.897 nan 8.270 nan 0.000 0.461 23 A N 0.198 123.083 122.820 0.107 0.000 3.444 23 A HA 0.355 4.676 4.320 0.002 0.000 0.189 23 A C 1.148 178.724 177.584 -0.012 0.000 1.542 23 A CA -0.220 51.833 52.037 0.027 0.000 0.867 23 A CB -0.314 18.665 19.000 -0.036 0.000 1.712 23 A HN 0.809 nan 8.150 nan 0.000 0.556 24 C N 1.069 120.348 119.300 -0.035 0.000 2.398 24 C HA -0.133 4.328 4.460 0.002 0.000 0.282 24 C C 2.575 177.531 174.990 -0.057 0.000 1.275 24 C CA 1.255 60.263 59.018 -0.017 0.000 1.797 24 C CB -1.501 26.232 27.740 -0.012 0.000 1.991 24 C HN 0.869 nan 8.230 nan 0.000 0.505 25 E N 1.190 121.250 120.200 -0.234 0.000 2.219 25 E HA -0.234 4.117 4.350 0.002 0.000 0.198 25 E C 1.459 177.877 176.600 -0.304 0.000 0.998 25 E CA 1.690 57.892 56.400 -0.331 0.000 0.818 25 E CB -0.699 28.643 29.700 -0.596 0.000 0.741 25 E HN 0.653 nan 8.360 nan 0.000 0.477 26 F N 1.625 121.639 119.950 0.107 0.000 2.416 26 F HA 0.082 4.610 4.527 0.002 0.000 0.296 26 F C 2.129 177.975 175.800 0.076 0.000 1.099 26 F CA 0.845 58.894 58.000 0.081 0.000 1.427 26 F CB -0.474 38.555 39.000 0.048 0.000 1.079 26 F HN 0.059 nan 8.300 nan 0.000 0.536 27 D N -0.732 119.790 120.400 0.202 0.000 2.183 27 D HA -0.246 4.395 4.640 0.002 0.000 0.203 27 D C 2.158 178.549 176.300 0.150 0.000 0.969 27 D CA 0.949 55.043 54.000 0.157 0.000 0.842 27 D CB -0.278 40.604 40.800 0.136 0.000 0.957 27 D HN 0.298 nan 8.370 nan 0.000 0.484 28 Y N 0.888 121.204 120.300 0.027 0.000 2.145 28 Y HA -0.175 4.376 4.550 0.002 0.000 0.286 28 Y C 2.466 178.381 175.900 0.026 0.000 1.145 28 Y CA 2.331 60.436 58.100 0.007 0.000 1.148 28 Y CB -0.865 37.582 38.460 -0.021 0.000 0.981 28 Y HN 0.092 nan 8.280 nan 0.000 0.507 29 S N -0.265 115.376 115.700 -0.099 0.000 2.355 29 S HA -0.066 4.405 4.470 0.002 0.000 0.222 29 S C 2.350 176.910 174.600 -0.067 0.000 1.031 29 S CA 1.074 59.183 58.200 -0.152 0.000 0.993 29 S CB -1.492 61.750 63.200 0.070 0.000 0.859 29 S HN 0.582 nan 8.310 nan 0.000 0.453 30 G N 1.418 110.243 108.800 0.042 0.000 2.440 30 G HA2 0.004 3.965 3.960 0.002 0.000 0.218 30 G HA3 0.004 3.965 3.960 0.002 0.000 0.218 30 G C 1.712 176.609 174.900 -0.006 0.000 1.154 30 G CA 0.998 46.120 45.100 0.037 0.000 0.767 30 G HN 0.843 nan 8.290 nan 0.000 0.552 31 A N 0.067 122.873 122.820 -0.023 0.000 1.898 31 A HA -0.022 4.299 4.320 0.002 0.000 0.216 31 A C 2.323 179.854 177.584 -0.090 0.000 1.181 31 A CA 1.744 53.760 52.037 -0.035 0.000 0.620 31 A CB -0.370 18.623 19.000 -0.012 0.000 0.819 31 A HN 0.425 nan 8.150 nan 0.000 0.442 32 Q N -0.701 118.987 119.800 -0.187 0.000 2.124 32 Q HA -0.146 4.195 4.340 0.002 0.000 0.202 32 Q C 2.438 178.370 176.000 -0.113 0.000 0.977 32 Q CA 1.377 57.055 55.803 -0.209 0.000 0.850 32 Q CB -0.336 28.177 28.738 -0.377 0.000 0.901 32 Q HN 0.694 nan 8.270 nan 0.000 0.429 33 A N 0.259 123.029 122.820 -0.084 0.000 1.898 33 A HA -0.174 4.147 4.320 0.002 0.000 0.216 33 A C 2.384 179.954 177.584 -0.024 0.000 1.181 33 A CA 1.184 53.195 52.037 -0.044 0.000 0.620 33 A CB -0.910 18.074 19.000 -0.027 0.000 0.819 33 A HN 0.466 nan 8.150 nan 0.000 0.442 34 C N -0.612 118.679 119.300 -0.016 0.000 2.413 34 C HA -0.112 4.349 4.460 0.002 0.000 0.276 34 C C 2.731 177.725 174.990 0.007 0.000 1.236 34 C CA 1.513 60.533 59.018 0.005 0.000 1.735 34 C CB -1.013 26.734 27.740 0.011 0.000 2.031 34 C HN 0.754 nan 8.230 nan 0.000 0.474 35 K N 1.021 121.413 120.400 -0.012 0.000 2.057 35 K HA -0.143 4.178 4.320 0.002 0.000 0.207 35 K C 2.082 178.681 176.600 -0.002 0.000 1.049 35 K CA 1.693 57.973 56.287 -0.012 0.000 0.931 35 K CB -0.305 32.173 32.500 -0.037 0.000 0.714 35 K HN 0.410 nan 8.250 nan 0.000 0.440 36 A N 1.100 123.911 122.820 -0.014 0.000 1.898 36 A HA -0.088 4.233 4.320 0.002 0.000 0.216 36 A C 2.111 179.718 177.584 0.038 0.000 1.181 36 A CA 1.274 53.306 52.037 -0.009 0.000 0.620 36 A CB -0.542 18.440 19.000 -0.032 0.000 0.819 36 A HN 0.323 nan 8.150 nan 0.000 0.442 37 L N -1.327 119.925 121.223 0.047 0.000 2.109 37 L HA -0.084 4.257 4.340 0.002 0.000 0.207 37 L C 2.781 179.775 176.870 0.207 0.000 1.086 37 L CA 1.287 56.197 54.840 0.116 0.000 0.760 37 L CB -0.497 41.577 42.059 0.025 0.000 0.910 37 L HN 0.447 nan 8.230 nan 0.000 0.437 38 R N 0.803 121.374 120.500 0.117 0.000 2.081 38 R HA -0.199 4.142 4.340 0.002 0.000 0.235 38 R C 2.029 178.384 176.300 0.092 0.000 1.131 38 R CA 1.645 57.807 56.100 0.103 0.000 0.960 38 R CB -0.105 30.231 30.300 0.059 0.000 0.856 38 R HN 0.386 nan 8.270 nan 0.000 0.436 39 E N -0.092 120.151 120.200 0.073 0.000 2.209 39 E HA -0.165 4.186 4.350 0.002 0.000 0.196 39 E C 1.137 177.781 176.600 0.074 0.000 0.993 39 E CA 0.939 57.370 56.400 0.052 0.000 0.819 39 E CB 0.140 29.856 29.700 0.027 0.000 0.745 39 E HN 0.352 nan 8.360 nan 0.000 0.477 40 E N -0.657 119.633 120.200 0.150 0.000 2.476 40 E HA 0.042 4.393 4.350 0.002 0.000 0.191 40 E C 0.890 177.531 176.600 0.069 0.000 1.064 40 E CA 0.492 57.020 56.400 0.213 0.000 0.866 40 E CB 0.782 30.748 29.700 0.443 0.000 0.952 40 E HN 0.355 nan 8.360 nan 0.000 0.492 41 G N 1.240 110.058 108.800 0.029 0.000 2.147 41 G HA2 -0.304 3.657 3.960 0.002 0.000 0.244 41 G HA3 -0.304 3.657 3.960 0.002 0.000 0.244 41 G C -0.168 174.616 174.900 -0.192 0.000 1.005 41 G CA 0.179 45.224 45.100 -0.091 0.000 0.713 41 G HN 0.240 nan 8.290 nan 0.000 0.515 42 Y N -0.666 119.660 120.300 0.042 0.000 2.374 42 Y HA 0.608 5.159 4.550 0.002 0.000 0.322 42 Y C 1.179 177.097 175.900 0.030 0.000 1.275 42 Y CA -0.835 57.288 58.100 0.038 0.000 1.307 42 Y CB 0.778 39.264 38.460 0.045 0.000 1.282 42 Y HN 0.104 nan 8.280 nan 0.000 0.509 43 R N 1.520 122.140 120.500 0.201 0.000 2.202 43 R HA 0.466 4.807 4.340 0.002 0.000 0.334 43 R C -1.698 174.678 176.300 0.126 0.000 1.036 43 R CA -0.326 55.847 56.100 0.123 0.000 0.878 43 R CB 0.312 30.665 30.300 0.089 0.000 1.067 43 R HN 0.508 nan 8.270 nan 0.000 0.457 44 V N 7.028 127.000 119.914 0.097 0.000 2.427 44 V HA 0.416 4.537 4.120 0.002 0.000 0.286 44 V C 0.180 176.315 176.094 0.069 0.000 1.034 44 V CA -0.594 61.752 62.300 0.077 0.000 0.893 44 V CB 1.599 33.462 31.823 0.068 0.000 0.982 44 V HN 0.656 nan 8.190 nan 0.000 0.452 45 I N 6.385 126.994 120.570 0.066 0.000 2.465 45 I HA 0.573 4.744 4.170 0.002 0.000 0.291 45 I C -0.721 175.441 176.117 0.075 0.000 1.014 45 I CA -0.597 60.756 61.300 0.088 0.000 1.093 45 I CB 1.793 39.837 38.000 0.073 0.000 1.267 45 I HN 0.436 nan 8.210 nan 0.000 0.431 46 L N 5.327 126.616 121.223 0.111 0.000 2.376 46 L HA 0.802 5.143 4.340 0.002 0.000 0.258 46 L C -1.382 175.562 176.870 0.124 0.000 1.013 46 L CA -0.932 53.957 54.840 0.082 0.000 0.822 46 L CB 1.842 43.937 42.059 0.059 0.000 1.388 46 L HN 0.425 nan 8.230 nan 0.000 0.413 47 V N 2.399 122.356 119.914 0.071 0.000 2.487 47 V HA 0.714 4.835 4.120 0.002 0.000 0.298 47 V C -1.318 174.806 176.094 0.049 0.000 1.028 47 V CA -0.061 62.285 62.300 0.078 0.000 0.860 47 V CB 1.569 33.401 31.823 0.016 0.000 0.991 47 V HN 0.996 nan 8.190 nan 0.000 0.427 48 N N 3.301 122.032 118.700 0.053 0.000 2.542 48 N HA 0.253 4.994 4.740 0.002 0.000 0.288 48 N C 0.450 175.976 175.510 0.026 0.000 1.115 48 N CA 0.259 53.330 53.050 0.035 0.000 0.924 48 N CB 2.418 40.930 38.487 0.042 0.000 1.526 48 N HN 0.677 nan 8.380 nan 0.000 0.515 49 S N 1.603 117.310 115.700 0.012 0.000 2.515 49 S HA -0.022 4.449 4.470 0.002 0.000 0.231 49 S C 0.729 175.328 174.600 -0.002 0.000 0.987 49 S CA 0.100 58.300 58.200 -0.001 0.000 0.936 49 S CB -0.230 62.960 63.200 -0.017 0.000 0.766 49 S HN 0.571 nan 8.310 nan 0.000 0.528 50 N N 3.394 122.097 118.700 0.005 0.000 2.401 50 N HA 0.245 4.985 4.740 0.002 0.000 0.255 50 N C -1.675 173.835 175.510 -0.000 0.000 1.110 50 N CA -2.332 50.717 53.050 -0.001 0.000 0.949 50 N CB 1.307 39.799 38.487 0.009 0.000 1.110 50 N HN 0.041 nan 8.380 nan 0.000 0.490 51 P HA 0.017 nan 4.420 nan 0.000 0.227 51 P C 0.214 177.440 177.300 -0.124 0.000 1.161 51 P CA 0.514 63.604 63.100 -0.016 0.000 0.788 51 P CB 0.166 31.906 31.700 0.067 0.000 0.822 52 A N 0.355 123.073 122.820 -0.170 0.000 2.416 52 A HA 0.238 4.559 4.320 0.002 0.000 0.252 52 A C 0.620 178.125 177.584 -0.131 0.000 1.353 52 A CA 0.151 51.977 52.037 -0.352 0.000 0.996 52 A CB -1.420 17.414 19.000 -0.275 0.000 0.961 52 A HN 0.294 nan 8.150 nan 0.000 0.523 53 T N -3.262 111.311 114.554 0.031 0.000 2.888 53 T HA 0.531 4.882 4.350 0.002 0.000 0.284 53 T C 0.901 175.813 174.700 0.353 0.000 1.017 53 T CA -0.718 61.500 62.100 0.196 0.000 1.022 53 T CB 1.156 70.094 68.868 0.117 0.000 1.013 53 T HN -0.042 nan 8.240 nan 0.000 0.465 54 I N 1.958 122.698 120.570 0.282 0.000 2.546 54 I HA -0.095 4.076 4.170 0.002 0.000 0.255 54 I C 2.433 178.635 176.117 0.141 0.000 1.163 54 I CA 1.349 62.748 61.300 0.166 0.000 1.457 54 I CB -0.868 37.163 38.000 0.052 0.000 1.092 54 I HN 0.868 nan 8.210 nan 0.000 0.434 55 M N 0.389 120.061 119.600 0.120 0.000 2.358 55 M HA -0.128 4.353 4.480 0.002 0.000 0.264 55 M C 1.543 177.891 176.300 0.080 0.000 1.064 55 M CA 2.038 57.388 55.300 0.084 0.000 1.093 55 M CB -0.788 31.853 32.600 0.070 0.000 1.401 55 M HN 0.222 nan 8.290 nan 0.000 0.440 56 T N -2.510 112.105 114.554 0.102 0.000 3.163 56 T HA 0.182 4.533 4.350 0.002 0.000 0.252 56 T C -0.110 174.644 174.700 0.090 0.000 1.056 56 T CA -0.564 61.580 62.100 0.073 0.000 0.947 56 T CB -0.487 68.411 68.868 0.050 0.000 1.016 56 T HN 0.253 nan 8.240 nan 0.000 0.554 57 D N 3.823 124.304 120.400 0.135 0.000 2.390 57 D HA 0.167 4.808 4.640 0.002 0.000 0.249 57 D C -1.309 175.037 176.300 0.077 0.000 1.144 57 D CA -2.089 52.004 54.000 0.154 0.000 0.880 57 D CB 1.791 42.704 40.800 0.190 0.000 1.182 57 D HN 0.101 nan 8.370 nan 0.000 0.451 58 P HA -0.196 nan 4.420 nan 0.000 0.218 58 P C 0.941 178.250 177.300 0.016 0.000 1.146 58 P CA 1.205 64.307 63.100 0.005 0.000 0.820 58 P CB 0.139 31.854 31.700 0.025 0.000 0.778 59 E N -1.385 118.837 120.200 0.035 0.000 2.489 59 E HA 0.004 4.355 4.350 0.002 0.000 0.193 59 E C 1.285 177.895 176.600 0.016 0.000 1.057 59 E CA 0.244 56.656 56.400 0.020 0.000 0.866 59 E CB -0.338 29.368 29.700 0.011 0.000 0.916 59 E HN 0.124 nan 8.360 nan 0.000 0.500 60 M N 0.784 120.398 119.600 0.023 0.000 2.510 60 M HA 0.330 4.811 4.480 0.002 0.000 0.256 60 M C 0.860 177.174 176.300 0.023 0.000 1.132 60 M CA 0.246 55.560 55.300 0.023 0.000 1.105 60 M CB 0.421 33.040 32.600 0.032 0.000 1.375 60 M HN 0.207 nan 8.290 nan 0.000 0.477 61 A N -0.176 122.656 122.820 0.019 0.000 2.567 61 A HA 0.540 4.861 4.320 0.002 0.000 0.289 61 A C -0.463 177.129 177.584 0.013 0.000 1.177 61 A CA -0.549 51.502 52.037 0.023 0.000 0.694 61 A CB 0.489 19.506 19.000 0.028 0.000 1.292 61 A HN 0.199 nan 8.150 nan 0.000 0.425 62 D N 0.012 120.426 120.400 0.023 0.000 2.240 62 D HA 0.407 5.048 4.640 0.002 0.000 0.206 62 D C 0.494 176.795 176.300 0.001 0.000 0.963 62 D CA 1.385 55.395 54.000 0.017 0.000 0.863 62 D CB 0.320 41.140 40.800 0.033 0.000 0.973 62 D HN 0.757 nan 8.370 nan 0.000 0.501 63 A N 0.625 123.456 122.820 0.017 0.000 2.599 63 A HA 0.497 4.818 4.320 0.002 0.000 0.281 63 A C -0.725 176.865 177.584 0.009 0.000 1.137 63 A CA -0.707 51.331 52.037 0.002 0.000 0.767 63 A CB 0.830 19.914 19.000 0.140 0.000 1.266 63 A HN -0.056 nan 8.150 nan 0.000 0.420 64 T N 2.425 116.878 114.554 -0.168 0.000 2.749 64 T HA 0.502 4.853 4.350 0.002 0.000 0.287 64 T C -1.005 173.486 174.700 -0.349 0.000 0.970 64 T CA 0.307 62.323 62.100 -0.140 0.000 0.980 64 T CB 0.054 68.848 68.868 -0.125 0.000 0.924 64 T HN 0.399 nan 8.240 nan 0.000 0.456 65 Y N 2.533 122.796 120.300 -0.062 0.000 2.345 65 Y HA 0.455 5.006 4.550 0.002 0.000 0.331 65 Y C 0.366 176.229 175.900 -0.062 0.000 0.959 65 Y CA -0.984 57.073 58.100 -0.072 0.000 1.204 65 Y CB 0.795 39.215 38.460 -0.066 0.000 1.135 65 Y HN 0.561 nan 8.280 nan 0.000 0.477 66 I N 5.182 125.757 120.570 0.007 0.000 2.268 66 I HA 0.229 4.400 4.170 0.002 0.000 0.290 66 I C -0.413 175.714 176.117 0.016 0.000 1.125 66 I CA 0.010 61.313 61.300 0.004 0.000 1.236 66 I CB -0.045 37.934 38.000 -0.035 0.000 1.469 66 I HN 0.536 nan 8.210 nan 0.000 0.512 67 E N 6.128 126.354 120.200 0.043 0.000 2.408 67 E HA 0.442 4.793 4.350 0.002 0.000 0.275 67 E C -2.634 173.961 176.600 -0.008 0.000 0.935 67 E CA -2.106 54.303 56.400 0.015 0.000 0.775 67 E CB 1.964 31.688 29.700 0.040 0.000 1.277 67 E HN 0.036 nan 8.360 nan 0.000 0.455 68 P HA 0.084 nan 4.420 nan 0.000 0.262 68 P C 0.113 177.411 177.300 -0.004 0.000 1.182 68 P CA 0.380 63.458 63.100 -0.036 0.000 0.761 68 P CB 0.169 31.827 31.700 -0.069 0.000 0.795 69 I N 3.636 124.212 120.570 0.010 0.000 2.270 69 I HA 0.079 4.250 4.170 0.002 0.000 0.294 69 I C 1.030 177.178 176.117 0.051 0.000 1.164 69 I CA 0.172 61.483 61.300 0.017 0.000 1.680 69 I CB -0.910 37.090 38.000 0.001 0.000 1.494 69 I HN 0.379 nan 8.210 nan 0.000 0.767 70 H N 5.455 124.490 119.070 -0.059 0.000 2.495 70 H HA 0.061 4.618 4.556 0.002 0.000 0.348 70 H C 0.582 175.858 175.328 -0.088 0.000 1.113 70 H CA -0.798 55.207 56.048 -0.071 0.000 1.195 70 H CB 1.605 31.274 29.762 -0.156 0.000 1.521 70 H HN 0.596 nan 8.280 nan 0.000 0.509 71 W N 5.177 126.316 121.300 -0.269 0.000 2.321 71 W HA -0.162 4.499 4.660 0.001 0.000 0.306 71 W C 0.520 177.051 176.519 0.020 0.000 1.217 71 W CA 1.172 58.438 57.345 -0.132 0.000 1.257 71 W CB -0.465 28.886 29.460 -0.182 0.000 1.145 71 W HN 0.644 nan 8.180 nan 0.000 0.509 72 E N 0.830 120.475 120.200 -0.925 0.000 2.110 72 E HA -0.157 4.194 4.350 0.002 0.000 0.193 72 E C 2.413 178.819 176.600 -0.324 0.000 0.988 72 E CA 1.717 57.627 56.400 -0.817 0.000 0.804 72 E CB -0.289 28.921 29.700 -0.817 0.000 0.745 72 E HN 0.135 nan 8.360 nan 0.000 0.458 73 V N 0.849 120.653 119.914 -0.182 0.000 2.379 73 V HA -0.185 3.936 4.120 0.002 0.000 0.245 73 V C 2.267 178.270 176.094 -0.153 0.000 1.044 73 V CA 1.126 63.334 62.300 -0.155 0.000 1.036 73 V CB -0.088 31.669 31.823 -0.109 0.000 0.664 73 V HN 0.128 nan 8.190 nan 0.000 0.453 74 V N 0.170 120.021 119.914 -0.106 0.000 2.594 74 V HA -0.247 3.874 4.120 0.002 0.000 0.253 74 V C 2.498 178.509 176.094 -0.138 0.000 1.069 74 V CA 2.173 64.405 62.300 -0.114 0.000 1.082 74 V CB -0.893 30.907 31.823 -0.038 0.000 0.680 74 V HN 0.505 nan 8.190 nan 0.000 0.469 75 R N 0.423 120.868 120.500 -0.091 0.000 2.073 75 R HA -0.162 4.179 4.340 0.002 0.000 0.234 75 R C 2.371 178.537 176.300 -0.223 0.000 1.134 75 R CA 1.332 57.378 56.100 -0.089 0.000 0.952 75 R CB -0.109 30.204 30.300 0.022 0.000 0.850 75 R HN 0.315 nan 8.270 nan 0.000 0.433 76 K N 0.488 120.768 120.400 -0.200 0.000 2.147 76 K HA -0.123 4.198 4.320 0.002 0.000 0.205 76 K C 2.036 178.466 176.600 -0.283 0.000 1.049 76 K CA 1.117 57.279 56.287 -0.208 0.000 0.936 76 K CB -0.205 32.200 32.500 -0.159 0.000 0.722 76 K HN 0.362 nan 8.250 nan 0.000 0.446 77 I N 0.393 120.751 120.570 -0.353 0.000 2.286 77 I HA -0.205 3.966 4.170 0.002 0.000 0.245 77 I C 2.214 178.079 176.117 -0.420 0.000 1.104 77 I CA 0.788 61.779 61.300 -0.514 0.000 1.397 77 I CB -0.115 37.469 38.000 -0.693 0.000 1.072 77 I HN -0.009 nan 8.210 nan 0.000 0.417 78 I N 0.579 120.913 120.570 -0.394 0.000 2.202 78 I HA -0.296 3.875 4.170 0.002 0.000 0.242 78 I C 2.634 178.372 176.117 -0.631 0.000 1.091 78 I CA 1.418 62.466 61.300 -0.419 0.000 1.368 78 I CB -0.316 37.434 38.000 -0.415 0.000 1.058 78 I HN 0.269 nan 8.210 nan 0.000 0.410 79 E N 1.497 121.168 120.200 -0.881 0.000 2.118 79 E HA -0.326 4.025 4.350 0.002 0.000 0.195 79 E C 2.195 178.598 176.600 -0.329 0.000 0.992 79 E CA 1.622 57.466 56.400 -0.925 0.000 0.804 79 E CB -0.030 29.362 29.700 -0.514 0.000 0.741 79 E HN 0.400 nan 8.360 nan 0.000 0.458 80 K N -0.282 119.967 120.400 -0.252 0.000 2.186 80 K HA -0.072 4.249 4.320 0.002 0.000 0.202 80 K C 1.700 178.253 176.600 -0.079 0.000 1.052 80 K CA 1.000 57.216 56.287 -0.118 0.000 0.965 80 K CB 0.272 32.721 32.500 -0.086 0.000 0.746 80 K HN 0.033 nan 8.250 nan 0.000 0.457 81 E N 0.409 120.536 120.200 -0.121 0.000 2.364 81 E HA 0.038 4.389 4.350 0.002 0.000 0.196 81 E C -0.200 176.379 176.600 -0.035 0.000 0.990 81 E CA 0.048 56.419 56.400 -0.049 0.000 0.886 81 E CB 0.458 30.134 29.700 -0.039 0.000 0.866 81 E HN 0.128 nan 8.360 nan 0.000 0.493 82 R N 0.769 121.223 120.500 -0.077 0.000 3.205 82 R HA -0.114 4.227 4.340 0.002 0.000 0.249 82 R C -2.478 173.830 176.300 0.013 0.000 0.937 82 R CA 0.209 56.301 56.100 -0.012 0.000 0.641 82 R CB -2.643 27.687 30.300 0.049 0.000 1.114 82 R HN 0.252 nan 8.270 nan 0.000 0.451 83 P HA 0.141 nan 4.420 nan 0.000 0.275 83 P C 0.519 177.842 177.300 0.038 0.000 1.228 83 P CA -0.293 62.817 63.100 0.015 0.000 0.786 83 P CB 0.773 32.470 31.700 -0.005 0.000 0.927 84 D N 0.399 120.828 120.400 0.048 0.000 2.120 84 D HA 0.026 4.667 4.640 0.002 0.000 0.202 84 D C 0.836 177.160 176.300 0.041 0.000 0.972 84 D CA 1.297 55.329 54.000 0.053 0.000 0.837 84 D CB 0.217 41.055 40.800 0.063 0.000 0.989 84 D HN 0.472 nan 8.370 nan 0.000 0.469 85 A N -0.080 122.758 122.820 0.029 0.000 2.435 85 A HA 0.626 4.946 4.320 0.002 0.000 0.296 85 A C -1.188 176.397 177.584 0.002 0.000 1.147 85 A CA -0.540 51.504 52.037 0.012 0.000 0.775 85 A CB 2.430 21.428 19.000 -0.003 0.000 1.340 85 A HN -0.036 nan 8.150 nan 0.000 0.427 86 V N 0.650 120.562 119.914 -0.004 0.000 2.686 86 V HA 0.655 4.776 4.120 0.002 0.000 0.306 86 V C -1.834 174.253 176.094 -0.013 0.000 1.065 86 V CA -0.596 61.698 62.300 -0.009 0.000 0.894 86 V CB 1.596 33.416 31.823 -0.004 0.000 1.004 86 V HN 1.050 nan 8.190 nan 0.000 0.424 87 L N 9.834 131.047 121.223 -0.017 0.000 2.295 87 L HA 0.782 5.123 4.340 0.002 0.000 0.281 87 L C -2.230 174.632 176.870 -0.013 0.000 1.018 87 L CA -1.245 53.585 54.840 -0.017 0.000 0.841 87 L CB 2.093 44.137 42.059 -0.025 0.000 1.218 87 L HN 0.528 nan 8.230 nan 0.000 0.424 88 P HA 0.155 nan 4.420 nan 0.000 0.280 88 P C 0.401 177.687 177.300 -0.024 0.000 1.431 88 P CA 0.103 63.193 63.100 -0.017 0.000 1.058 88 P CB 0.362 32.057 31.700 -0.009 0.000 1.521 89 T N -4.507 110.039 114.554 -0.013 0.000 3.122 89 T HA 0.234 4.585 4.350 0.002 0.000 0.250 89 T C 1.145 175.848 174.700 0.006 0.000 1.067 89 T CA 0.039 62.135 62.100 -0.007 0.000 0.966 89 T CB -0.403 68.472 68.868 0.012 0.000 1.002 89 T HN -0.133 nan 8.240 nan 0.000 0.542 90 M N 1.079 120.678 119.600 -0.001 0.000 2.405 90 M HA 0.401 4.882 4.480 0.002 0.000 0.292 90 M C 1.164 177.471 176.300 0.011 0.000 1.111 90 M CA 0.025 55.351 55.300 0.043 0.000 0.979 90 M CB 0.702 33.327 32.600 0.041 0.000 1.426 90 M HN 0.429 nan 8.290 nan 0.000 0.509 91 G N 0.062 108.773 108.800 -0.149 0.000 4.543 91 G HA2 0.488 4.449 3.960 0.002 0.000 0.286 91 G HA3 0.488 4.449 3.960 0.002 0.000 0.286 91 G C 0.726 175.246 174.900 -0.634 0.000 1.112 91 G CA 0.095 45.024 45.100 -0.285 0.000 0.870 91 G HN 0.557 nan 8.290 nan 0.000 0.540 92 G N 0.860 108.984 108.800 -1.127 0.000 2.574 92 G HA2 -0.373 3.588 3.960 0.002 0.000 0.282 92 G HA3 -0.373 3.588 3.960 0.002 0.000 0.282 92 G C 1.004 175.646 174.900 -0.429 0.000 1.257 92 G CA 0.805 45.227 45.100 -1.130 0.000 0.956 92 G HN 0.586 nan 8.290 nan 0.000 0.560 93 Q N -0.959 118.677 119.800 -0.274 0.000 2.119 93 Q HA 0.029 4.370 4.340 0.002 0.000 0.201 93 Q C 2.952 178.898 176.000 -0.090 0.000 0.972 93 Q CA 2.747 58.481 55.803 -0.114 0.000 0.847 93 Q CB -0.814 27.893 28.738 -0.052 0.000 0.903 93 Q HN 0.710 nan 8.270 nan 0.000 0.433 94 T N 0.116 114.595 114.554 -0.126 0.000 2.665 94 T HA -0.241 4.110 4.350 0.002 0.000 0.268 94 T C 1.637 176.291 174.700 -0.077 0.000 1.035 94 T CA 1.653 63.702 62.100 -0.085 0.000 1.151 94 T CB -0.564 68.252 68.868 -0.087 0.000 0.862 94 T HN 0.480 nan 8.240 nan 0.000 0.438 95 A N 0.793 123.544 122.820 -0.115 0.000 1.898 95 A HA 0.065 4.386 4.320 0.002 0.000 0.216 95 A C 2.324 179.880 177.584 -0.046 0.000 1.181 95 A CA 1.067 53.055 52.037 -0.081 0.000 0.620 95 A CB -0.713 18.230 19.000 -0.094 0.000 0.819 95 A HN 0.477 nan 8.150 nan 0.000 0.442 96 L N -0.345 120.854 121.223 -0.040 0.000 1.994 96 L HA -0.212 4.129 4.340 0.002 0.000 0.208 96 L C 2.375 179.272 176.870 0.045 0.000 1.071 96 L CA 1.408 56.259 54.840 0.019 0.000 0.745 96 L CB -0.820 41.268 42.059 0.048 0.000 0.892 96 L HN 0.337 nan 8.230 nan 0.000 0.431 97 N N -0.272 118.451 118.700 0.039 0.000 2.061 97 N HA -0.240 4.501 4.740 0.002 0.000 0.193 97 N C 1.901 177.380 175.510 -0.052 0.000 1.030 97 N CA 1.724 54.770 53.050 -0.007 0.000 0.856 97 N CB -0.984 37.494 38.487 -0.016 0.000 1.023 97 N HN 0.391 nan 8.380 nan 0.000 0.424 98 C N 0.854 120.134 119.300 -0.034 0.000 2.440 98 C HA 0.134 4.595 4.460 0.002 0.000 0.278 98 C C 2.719 177.696 174.990 -0.022 0.000 1.295 98 C CA 0.997 60.000 59.018 -0.024 0.000 1.738 98 C CB -1.286 26.448 27.740 -0.011 0.000 1.987 98 C HN 0.468 nan 8.230 nan 0.000 0.492 99 A N -0.104 122.704 122.820 -0.019 0.000 1.930 99 A HA -0.020 4.301 4.320 0.002 0.000 0.217 99 A C 1.942 179.507 177.584 -0.032 0.000 1.175 99 A CA 1.507 53.535 52.037 -0.015 0.000 0.627 99 A CB -0.547 18.450 19.000 -0.004 0.000 0.815 99 A HN 0.538 nan 8.150 nan 0.000 0.443 100 L N -0.666 120.529 121.223 -0.046 0.000 2.156 100 L HA -0.034 4.306 4.340 0.002 0.000 0.208 100 L C 2.323 179.101 176.870 -0.154 0.000 1.095 100 L CA 1.942 56.731 54.840 -0.085 0.000 0.770 100 L CB -0.543 41.459 42.059 -0.094 0.000 0.914 100 L HN 0.492 nan 8.230 nan 0.000 0.439 101 E N -0.071 120.022 120.200 -0.178 0.000 2.047 101 E HA -0.178 4.173 4.350 0.002 0.000 0.191 101 E C 2.227 178.649 176.600 -0.296 0.000 0.987 101 E CA 1.270 57.497 56.400 -0.289 0.000 0.799 101 E CB -0.312 29.207 29.700 -0.301 0.000 0.752 101 E HN 0.367 nan 8.360 nan 0.000 0.449 102 L N 0.488 121.633 121.223 -0.130 0.000 2.129 102 L HA -0.236 4.105 4.340 0.002 0.000 0.212 102 L C 2.553 179.379 176.870 -0.073 0.000 1.087 102 L CA 1.872 56.687 54.840 -0.041 0.000 0.757 102 L CB -0.455 41.623 42.059 0.032 0.000 0.896 102 L HN 0.294 nan 8.230 nan 0.000 0.434 103 E N 0.293 120.440 120.200 -0.088 0.000 2.028 103 E HA -0.226 4.125 4.350 0.002 0.000 0.190 103 E C 2.317 178.846 176.600 -0.118 0.000 0.984 103 E CA 0.958 57.313 56.400 -0.075 0.000 0.800 103 E CB -0.157 29.507 29.700 -0.059 0.000 0.758 103 E HN 0.165 nan 8.360 nan 0.000 0.448 104 R N -0.111 120.283 120.500 -0.176 0.000 2.094 104 R HA -0.149 4.192 4.340 0.002 0.000 0.239 104 R C 2.180 178.336 176.300 -0.241 0.000 1.137 104 R CA 1.923 57.899 56.100 -0.207 0.000 0.943 104 R CB -0.200 29.943 30.300 -0.261 0.000 0.850 104 R HN 0.336 nan 8.270 nan 0.000 0.433 105 Q N -0.594 118.987 119.800 -0.365 0.000 2.561 105 Q HA -0.045 4.296 4.340 0.002 0.000 0.217 105 Q C 1.069 176.959 176.000 -0.183 0.000 0.980 105 Q CA 1.060 56.609 55.803 -0.424 0.000 0.927 105 Q CB 0.198 28.363 28.738 -0.954 0.000 0.980 105 Q HN 0.736 nan 8.270 nan 0.000 0.525 106 G N 0.162 108.891 108.800 -0.118 0.000 2.175 106 G HA2 -0.331 3.630 3.960 0.002 0.000 0.265 106 G HA3 -0.331 3.630 3.960 0.002 0.000 0.265 106 G C 1.002 175.912 174.900 0.015 0.000 0.979 106 G CA 0.552 45.623 45.100 -0.048 0.000 0.663 106 G HN 0.344 nan 8.290 nan 0.000 0.533 107 V N 0.549 120.496 119.914 0.055 0.000 2.407 107 V HA -0.155 3.966 4.120 0.002 0.000 0.248 107 V C 2.915 179.130 176.094 0.201 0.000 1.055 107 V CA 2.238 64.652 62.300 0.189 0.000 1.049 107 V CB -0.449 31.532 31.823 0.263 0.000 0.662 107 V HN 0.524 nan 8.190 nan 0.000 0.455 108 L N -0.245 121.041 121.223 0.106 0.000 2.017 108 L HA -0.209 4.132 4.340 0.002 0.000 0.208 108 L C 2.579 179.500 176.870 0.084 0.000 1.073 108 L CA 2.022 56.920 54.840 0.097 0.000 0.745 108 L CB -0.590 41.496 42.059 0.046 0.000 0.894 108 L HN 0.388 nan 8.230 nan 0.000 0.432 109 E N 0.542 120.764 120.200 0.036 0.000 2.038 109 E HA -0.308 4.043 4.350 0.002 0.000 0.195 109 E C 2.100 178.684 176.600 -0.027 0.000 1.000 109 E CA 1.638 58.039 56.400 0.002 0.000 0.803 109 E CB -0.047 29.641 29.700 -0.020 0.000 0.750 109 E HN 0.357 nan 8.360 nan 0.000 0.448 110 E N -0.855 119.313 120.200 -0.053 0.000 2.108 110 E HA -0.232 4.119 4.350 0.002 0.000 0.203 110 E C 1.130 177.456 176.600 -0.457 0.000 1.022 110 E CA 1.624 57.877 56.400 -0.244 0.000 0.823 110 E CB -0.132 29.420 29.700 -0.246 0.000 0.744 110 E HN 0.343 nan 8.360 nan 0.000 0.456 111 F N -1.029 118.927 119.950 0.009 0.000 2.653 111 F HA 0.313 4.841 4.527 0.002 0.000 0.304 111 F C 1.111 176.915 175.800 0.006 0.000 1.092 111 F CA 0.332 58.337 58.000 0.008 0.000 1.279 111 F CB 1.252 40.256 39.000 0.007 0.000 1.044 111 F HN 0.121 nan 8.300 nan 0.000 0.564 112 G N 1.562 110.426 108.800 0.106 0.000 2.295 112 G HA2 -0.242 3.719 3.960 0.002 0.000 0.287 112 G HA3 -0.242 3.719 3.960 0.002 0.000 0.287 112 G C -0.255 174.695 174.900 0.084 0.000 1.055 112 G CA 0.089 45.232 45.100 0.071 0.000 0.922 112 G HN 0.160 nan 8.290 nan 0.000 0.503 113 V N 0.632 120.604 119.914 0.096 0.000 2.406 113 V HA 0.525 4.646 4.120 0.002 0.000 0.272 113 V C 0.879 177.000 176.094 0.044 0.000 1.043 113 V CA -0.138 62.204 62.300 0.070 0.000 0.915 113 V CB 1.471 33.337 31.823 0.071 0.000 0.988 113 V HN 0.364 nan 8.190 nan 0.000 0.466 114 T N 6.477 121.050 114.554 0.032 0.000 2.806 114 T HA 0.412 4.763 4.350 0.002 0.000 0.290 114 T C -0.061 174.646 174.700 0.013 0.000 0.966 114 T CA -0.245 61.868 62.100 0.021 0.000 1.060 114 T CB 0.952 69.832 68.868 0.020 0.000 0.927 114 T HN 0.675 nan 8.240 nan 0.000 0.485 115 M N 5.733 125.339 119.600 0.010 0.000 2.143 115 M HA 0.439 4.920 4.480 0.002 0.000 0.348 115 M C -0.471 175.831 176.300 0.003 0.000 1.375 115 M CA -0.370 54.934 55.300 0.006 0.000 1.124 115 M CB -0.164 32.440 32.600 0.008 0.000 1.669 115 M HN 0.641 nan 8.290 nan 0.000 0.469 116 I N 1.375 121.942 120.570 -0.004 0.000 2.863 116 I HA 0.922 5.093 4.170 0.002 0.000 0.311 116 I C 0.808 176.923 176.117 -0.003 0.000 1.026 116 I CA -0.240 61.056 61.300 -0.007 0.000 1.077 116 I CB 1.672 39.658 38.000 -0.023 0.000 1.262 116 I HN 0.838 nan 8.210 nan 0.000 0.461 117 G N 2.584 111.386 108.800 0.002 0.000 2.640 117 G HA2 -0.097 3.864 3.960 0.002 0.000 0.226 117 G HA3 -0.097 3.864 3.960 0.002 0.000 0.226 117 G C 0.171 175.082 174.900 0.017 0.000 1.222 117 G CA 0.380 45.487 45.100 0.011 0.000 0.729 117 G HN 1.754 nan 8.290 nan 0.000 0.516 118 A N -0.876 121.952 122.820 0.014 0.000 2.594 118 A HA 0.916 5.237 4.320 0.002 0.000 0.295 118 A C -0.057 177.536 177.584 0.016 0.000 1.071 118 A CA 0.938 52.985 52.037 0.017 0.000 0.685 118 A CB 1.006 20.016 19.000 0.017 0.000 1.285 118 A HN 1.918 nan 8.150 nan 0.000 0.405 119 T N -1.269 113.296 114.554 0.019 0.000 2.927 119 T HA 0.619 4.970 4.350 0.002 0.000 0.281 119 T C 1.301 176.016 174.700 0.025 0.000 0.998 119 T CA 0.269 62.381 62.100 0.019 0.000 1.019 119 T CB 1.455 70.334 68.868 0.018 0.000 1.061 119 T HN 1.828 nan 8.240 nan 0.000 0.518 120 A N 0.820 123.654 122.820 0.024 0.000 1.940 120 A HA -0.070 4.251 4.320 0.002 0.000 0.219 120 A C 1.971 179.584 177.584 0.047 0.000 1.176 120 A CA 2.211 54.267 52.037 0.032 0.000 0.631 120 A CB -1.318 17.692 19.000 0.016 0.000 0.814 120 A HN 1.025 nan 8.150 nan 0.000 0.446 121 D N -0.582 119.839 120.400 0.035 0.000 2.117 121 D HA 0.025 4.666 4.640 0.002 0.000 0.198 121 D C 2.066 178.393 176.300 0.046 0.000 0.982 121 D CA 1.489 55.514 54.000 0.040 0.000 0.828 121 D CB -0.206 40.610 40.800 0.027 0.000 0.967 121 D HN 0.330 nan 8.370 nan 0.000 0.464 122 A N 0.500 123.342 122.820 0.036 0.000 1.873 122 A HA -0.192 4.129 4.320 0.002 0.000 0.218 122 A C 2.404 180.009 177.584 0.034 0.000 1.193 122 A CA 1.722 53.780 52.037 0.034 0.000 0.629 122 A CB -1.085 17.931 19.000 0.028 0.000 0.826 122 A HN 0.397 nan 8.150 nan 0.000 0.447 123 I N -0.322 120.271 120.570 0.037 0.000 2.113 123 I HA -0.344 3.827 4.170 0.002 0.000 0.242 123 I C 2.355 178.485 176.117 0.021 0.000 1.064 123 I CA 2.224 63.543 61.300 0.032 0.000 1.320 123 I CB -0.539 37.503 38.000 0.070 0.000 1.028 123 I HN 0.464 nan 8.210 nan 0.000 0.406 124 D N 0.658 121.129 120.400 0.119 0.000 2.144 124 D HA -0.223 4.418 4.640 0.002 0.000 0.199 124 D C 2.201 178.537 176.300 0.060 0.000 0.984 124 D CA 1.307 55.420 54.000 0.187 0.000 0.834 124 D CB -0.004 40.927 40.800 0.218 0.000 0.955 124 D HN 0.110 nan 8.370 nan 0.000 0.465 125 K N -0.506 119.928 120.400 0.058 0.000 2.063 125 K HA -0.141 4.180 4.320 0.002 0.000 0.208 125 K C 1.918 178.575 176.600 0.095 0.000 1.048 125 K CA 1.303 57.631 56.287 0.067 0.000 0.928 125 K CB -0.124 32.411 32.500 0.059 0.000 0.713 125 K HN 0.186 nan 8.250 nan 0.000 0.442 126 A N 0.722 123.565 122.820 0.037 0.000 1.935 126 A HA -0.052 4.269 4.320 0.002 0.000 0.214 126 A C 1.792 179.229 177.584 -0.246 0.000 1.178 126 A CA 0.880 52.912 52.037 -0.009 0.000 0.640 126 A CB -0.155 18.805 19.000 -0.067 0.000 0.825 126 A HN 0.216 nan 8.150 nan 0.000 0.447 127 E N 0.708 120.672 120.200 -0.393 0.000 2.152 127 E HA -0.096 4.255 4.350 0.002 0.000 0.192 127 E C 0.055 176.218 176.600 -0.729 0.000 0.983 127 E CA 0.477 56.369 56.400 -0.846 0.000 0.818 127 E CB -0.259 28.447 29.700 -1.657 0.000 0.758 127 E HN 0.575 nan 8.360 nan 0.000 0.467 128 D N 1.106 121.319 120.400 -0.312 0.000 2.336 128 D HA -0.006 4.635 4.640 0.002 0.000 0.249 128 D C 0.986 177.293 176.300 0.011 0.000 1.213 128 D CA -0.141 53.852 54.000 -0.013 0.000 0.870 128 D CB 0.600 41.481 40.800 0.135 0.000 1.076 128 D HN -0.192 nan 8.370 nan 0.000 0.483 129 R N 3.701 124.203 120.500 0.003 0.000 2.103 129 R HA -0.175 4.165 4.340 0.002 0.000 0.242 129 R C 2.045 178.401 176.300 0.093 0.000 1.142 129 R CA 0.937 57.056 56.100 0.032 0.000 0.960 129 R CB -0.522 29.776 30.300 -0.003 0.000 0.858 129 R HN 0.550 nan 8.270 nan 0.000 0.439 130 R N 0.923 121.467 120.500 0.073 0.000 2.070 130 R HA -0.084 4.257 4.340 0.002 0.000 0.233 130 R C 2.432 178.772 176.300 0.066 0.000 1.137 130 R CA 1.526 57.663 56.100 0.062 0.000 0.945 130 R CB -0.066 30.273 30.300 0.064 0.000 0.845 130 R HN 0.155 nan 8.270 nan 0.000 0.430 131 R N -0.692 119.856 120.500 0.081 0.000 2.091 131 R HA -0.179 4.162 4.340 0.002 0.000 0.238 131 R C 2.229 178.567 176.300 0.063 0.000 1.136 131 R CA 1.751 57.890 56.100 0.065 0.000 0.959 131 R CB -0.502 29.842 30.300 0.074 0.000 0.856 131 R HN 0.245 nan 8.270 nan 0.000 0.437 132 F N 1.852 121.777 119.950 -0.040 0.000 2.134 132 F HA -0.225 4.303 4.527 0.002 0.000 0.299 132 F C 1.864 177.637 175.800 -0.045 0.000 1.097 132 F CA 1.983 59.951 58.000 -0.054 0.000 1.264 132 F CB -0.364 38.588 39.000 -0.080 0.000 1.001 132 F HN -0.017 nan 8.300 nan 0.000 0.479 133 D N -0.533 119.877 120.400 0.017 0.000 2.117 133 D HA -0.181 4.460 4.640 0.002 0.000 0.197 133 D C 2.221 178.447 176.300 -0.122 0.000 0.987 133 D CA 1.545 55.511 54.000 -0.057 0.000 0.829 133 D CB -0.104 40.712 40.800 0.026 0.000 0.961 133 D HN 0.177 nan 8.370 nan 0.000 0.460 134 V N 0.567 120.432 119.914 -0.082 0.000 2.343 134 V HA -0.223 3.898 4.120 0.002 0.000 0.247 134 V C 2.484 178.505 176.094 -0.123 0.000 1.051 134 V CA 1.758 64.013 62.300 -0.076 0.000 1.036 134 V CB -0.815 30.985 31.823 -0.037 0.000 0.654 134 V HN 0.351 nan 8.190 nan 0.000 0.451 135 A N -0.486 122.226 122.820 -0.180 0.000 1.940 135 A HA -0.229 4.092 4.320 0.002 0.000 0.219 135 A C 2.212 179.642 177.584 -0.257 0.000 1.176 135 A CA 2.036 53.947 52.037 -0.211 0.000 0.631 135 A CB -0.449 18.404 19.000 -0.243 0.000 0.814 135 A HN 0.417 nan 8.150 nan 0.000 0.446 136 M N -0.516 118.861 119.600 -0.373 0.000 2.117 136 M HA -0.110 4.371 4.480 0.002 0.000 0.262 136 M C 2.053 178.263 176.300 -0.151 0.000 1.065 136 M CA 2.074 57.198 55.300 -0.294 0.000 1.114 136 M CB -1.192 31.211 32.600 -0.329 0.000 1.361 136 M HN 0.507 nan 8.290 nan 0.000 0.408 137 K N 0.812 121.136 120.400 -0.127 0.000 2.057 137 K HA -0.151 4.170 4.320 0.002 0.000 0.207 137 K C 2.057 178.619 176.600 -0.064 0.000 1.049 137 K CA 1.456 57.698 56.287 -0.074 0.000 0.931 137 K CB -0.201 32.264 32.500 -0.059 0.000 0.714 137 K HN 0.187 nan 8.250 nan 0.000 0.440 138 K N 0.927 121.282 120.400 -0.075 0.000 2.063 138 K HA -0.142 4.179 4.320 0.002 0.000 0.208 138 K C 1.663 178.232 176.600 -0.052 0.000 1.048 138 K CA 1.835 58.087 56.287 -0.058 0.000 0.928 138 K CB -0.267 32.197 32.500 -0.059 0.000 0.713 138 K HN 0.517 nan 8.250 nan 0.000 0.442 139 I N -2.913 117.618 120.570 -0.067 0.000 3.810 139 I HA 0.266 4.437 4.170 0.002 0.000 0.322 139 I C 0.649 176.745 176.117 -0.035 0.000 1.288 139 I CA 0.386 61.657 61.300 -0.049 0.000 1.143 139 I CB -0.091 37.877 38.000 -0.052 0.000 1.012 139 I HN 0.231 nan 8.210 nan 0.000 0.423 140 G N 2.102 110.881 108.800 -0.034 0.000 2.198 140 G HA2 -0.246 3.715 3.960 0.002 0.000 0.260 140 G HA3 -0.246 3.715 3.960 0.002 0.000 0.260 140 G C -0.057 174.837 174.900 -0.010 0.000 1.025 140 G CA 0.335 45.423 45.100 -0.020 0.000 0.769 140 G HN 0.477 nan 8.290 nan 0.000 0.507 141 L N -0.418 120.793 121.223 -0.019 0.000 2.360 141 L HA 0.608 4.949 4.340 0.002 0.000 0.271 141 L C 0.670 177.546 176.870 0.011 0.000 1.057 141 L CA -0.852 53.994 54.840 0.010 0.000 0.803 141 L CB 1.583 43.655 42.059 0.022 0.000 1.207 141 L HN 0.272 nan 8.230 nan 0.000 0.445 142 E N 1.126 121.356 120.200 0.050 0.000 2.231 142 E HA 0.382 4.733 4.350 0.002 0.000 0.277 142 E C -0.982 175.653 176.600 0.057 0.000 0.999 142 E CA -0.463 55.968 56.400 0.051 0.000 0.827 142 E CB 1.530 31.276 29.700 0.076 0.000 1.101 142 E HN 0.673 nan 8.360 nan 0.000 0.393 143 T N 0.081 114.652 114.554 0.028 0.000 2.916 143 T HA 0.713 5.063 4.350 0.002 0.000 0.292 143 T C -0.132 174.566 174.700 -0.003 0.000 1.064 143 T CA -0.845 61.268 62.100 0.021 0.000 1.011 143 T CB 1.555 70.431 68.868 0.015 0.000 1.152 143 T HN 0.487 nan 8.240 nan 0.000 0.510 144 A N 1.649 124.449 122.820 -0.034 0.000 2.445 144 A HA 0.474 4.795 4.320 0.002 0.000 0.242 144 A C 0.707 178.261 177.584 -0.050 0.000 1.075 144 A CA -0.558 51.434 52.037 -0.075 0.000 0.777 144 A CB -0.095 18.830 19.000 -0.125 0.000 1.013 144 A HN 0.953 nan 8.150 nan 0.000 0.493 145 R N 0.888 121.356 120.500 -0.053 0.000 2.480 145 R HA 0.234 4.575 4.340 0.002 0.000 0.303 145 R C 0.106 176.378 176.300 -0.047 0.000 0.985 145 R CA 1.057 57.132 56.100 -0.043 0.000 1.051 145 R CB -0.003 30.270 30.300 -0.045 0.000 0.935 145 R HN 0.994 nan 8.270 nan 0.000 0.410 146 S N 2.028 117.707 115.700 -0.036 0.000 2.880 146 S HA 0.871 5.342 4.470 0.002 0.000 0.308 146 S C -0.495 174.088 174.600 -0.029 0.000 1.195 146 S CA -0.469 57.712 58.200 -0.032 0.000 0.866 146 S CB 1.954 65.141 63.200 -0.021 0.000 1.254 146 S HN 0.710 nan 8.310 nan 0.000 0.571 147 G N -0.267 108.518 108.800 -0.025 0.000 2.616 147 G HA2 0.523 4.484 3.960 0.002 0.000 0.294 147 G HA3 0.523 4.484 3.960 0.002 0.000 0.294 147 G C -1.642 173.234 174.900 -0.039 0.000 1.489 147 G CA -0.760 44.322 45.100 -0.030 0.000 0.836 147 G HN 0.618 nan 8.290 nan 0.000 0.527 148 I N 0.846 121.376 120.570 -0.067 0.000 2.499 148 I HA 0.661 4.832 4.170 0.002 0.000 0.296 148 I C 0.590 176.590 176.117 -0.195 0.000 0.992 148 I CA -0.514 60.704 61.300 -0.137 0.000 1.297 148 I CB 1.514 39.408 38.000 -0.175 0.000 1.410 148 I HN 0.728 nan 8.210 nan 0.000 0.507 149 A N 4.656 127.319 122.820 -0.261 0.000 2.475 149 A HA 0.666 4.987 4.320 0.002 0.000 0.301 149 A C -0.601 176.785 177.584 -0.330 0.000 1.059 149 A CA -0.391 51.513 52.037 -0.220 0.000 0.710 149 A CB 1.039 20.014 19.000 -0.041 0.000 1.288 149 A HN 0.889 nan 8.150 nan 0.000 0.408 150 H N -0.254 118.835 119.070 0.032 0.000 3.535 150 H HA 0.263 4.820 4.556 0.002 0.000 0.260 150 H C 0.214 175.556 175.328 0.024 0.000 1.173 150 H CA 0.722 56.784 56.048 0.025 0.000 1.168 150 H CB 1.228 31.003 29.762 0.021 0.000 1.568 150 H HN 0.808 nan 8.280 nan 0.000 0.602 151 T N -3.149 111.478 114.554 0.121 0.000 2.843 151 T HA 0.178 4.529 4.350 0.002 0.000 0.302 151 T C 0.711 175.454 174.700 0.072 0.000 1.232 151 T CA -0.914 61.239 62.100 0.088 0.000 1.009 151 T CB 1.895 70.814 68.868 0.085 0.000 1.254 151 T HN -0.058 nan 8.240 nan 0.000 0.504 152 M N 0.893 120.534 119.600 0.068 0.000 2.159 152 M HA 0.059 4.540 4.480 0.002 0.000 0.263 152 M C 2.100 178.466 176.300 0.110 0.000 1.063 152 M CA 1.946 57.297 55.300 0.084 0.000 1.110 152 M CB -0.917 31.727 32.600 0.074 0.000 1.374 152 M HN 0.910 nan 8.290 nan 0.000 0.411 153 E N -0.294 119.956 120.200 0.083 0.000 2.051 153 E HA -0.241 4.110 4.350 0.002 0.000 0.192 153 E C 1.810 178.453 176.600 0.071 0.000 0.991 153 E CA 1.731 58.175 56.400 0.073 0.000 0.799 153 E CB -0.192 29.541 29.700 0.055 0.000 0.748 153 E HN 0.670 nan 8.360 nan 0.000 0.449 154 E N 0.097 120.337 120.200 0.066 0.000 2.051 154 E HA -0.202 4.149 4.350 0.002 0.000 0.192 154 E C 2.084 178.724 176.600 0.067 0.000 0.991 154 E CA 0.928 57.358 56.400 0.050 0.000 0.799 154 E CB -0.171 29.550 29.700 0.035 0.000 0.748 154 E HN 0.398 nan 8.360 nan 0.000 0.449 155 A N 1.120 124.008 122.820 0.114 0.000 1.933 155 A HA -0.169 4.151 4.320 0.002 0.000 0.218 155 A C 2.179 179.940 177.584 0.295 0.000 1.175 155 A CA 1.064 53.232 52.037 0.220 0.000 0.628 155 A CB -0.632 18.499 19.000 0.219 0.000 0.814 155 A HN 0.145 nan 8.150 nan 0.000 0.444 156 L N -0.930 120.435 121.223 0.236 0.000 2.083 156 L HA -0.200 4.141 4.340 0.002 0.000 0.209 156 L C 3.001 179.841 176.870 -0.050 0.000 1.083 156 L CA 1.045 55.947 54.840 0.103 0.000 0.752 156 L CB -0.377 41.752 42.059 0.117 0.000 0.899 156 L HN 0.448 nan 8.230 nan 0.000 0.433 157 A N -0.862 121.951 122.820 -0.012 0.000 1.968 157 A HA -0.070 4.251 4.320 0.002 0.000 0.217 157 A C 2.268 179.805 177.584 -0.079 0.000 1.169 157 A CA 1.058 53.066 52.037 -0.048 0.000 0.638 157 A CB -0.489 18.499 19.000 -0.019 0.000 0.812 157 A HN 0.188 nan 8.150 nan 0.000 0.446 158 V N -0.157 119.725 119.914 -0.053 0.000 2.427 158 V HA -0.203 3.918 4.120 0.002 0.000 0.248 158 V C 3.005 179.007 176.094 -0.153 0.000 1.051 158 V CA 1.750 64.011 62.300 -0.065 0.000 1.048 158 V CB -1.070 30.752 31.823 -0.003 0.000 0.666 158 V HN 0.589 nan 8.190 nan 0.000 0.456 159 A N 0.242 122.911 122.820 -0.253 0.000 1.873 159 A HA -0.097 4.224 4.320 0.002 0.000 0.215 159 A C 2.467 179.736 177.584 -0.523 0.000 1.186 159 A CA 1.935 53.653 52.037 -0.533 0.000 0.616 159 A CB -0.891 17.510 19.000 -0.999 0.000 0.823 159 A HN 0.559 nan 8.150 nan 0.000 0.442 160 A N -0.190 122.406 122.820 -0.374 0.000 1.948 160 A HA -0.273 4.048 4.320 0.002 0.000 0.220 160 A C 1.840 179.280 177.584 -0.241 0.000 1.177 160 A CA 2.476 54.341 52.037 -0.287 0.000 0.636 160 A CB -0.660 18.237 19.000 -0.171 0.000 0.815 160 A HN 0.579 nan 8.150 nan 0.000 0.449 161 D N -0.867 119.410 120.400 -0.205 0.000 2.162 161 D HA -0.085 4.556 4.640 0.002 0.000 0.205 161 D C 1.943 178.145 176.300 -0.163 0.000 0.964 161 D CA 1.810 55.718 54.000 -0.153 0.000 0.847 161 D CB -0.022 40.712 40.800 -0.110 0.000 0.988 161 D HN 0.362 nan 8.370 nan 0.000 0.480 162 V N -2.767 117.027 119.914 -0.200 0.000 2.878 162 V HA 0.407 4.528 4.120 0.002 0.000 0.250 162 V C 1.318 177.277 176.094 -0.225 0.000 1.075 162 V CA 0.675 62.869 62.300 -0.177 0.000 1.096 162 V CB -0.883 30.855 31.823 -0.142 0.000 0.724 162 V HN 0.334 nan 8.190 nan 0.000 0.467 163 G N 0.094 108.664 108.800 -0.383 0.000 2.828 163 G HA2 -0.191 3.770 3.960 0.002 0.000 0.463 163 G HA3 -0.191 3.770 3.960 0.002 0.000 0.463 163 G C -0.691 173.911 174.900 -0.498 0.000 1.394 163 G CA -0.146 44.655 45.100 -0.499 0.000 0.862 163 G HN 0.579 nan 8.290 nan 0.000 0.540 164 F N 1.325 121.223 119.950 -0.086 0.000 2.397 164 F HA 0.576 5.104 4.527 0.002 0.000 0.331 164 F C -0.939 174.842 175.800 -0.033 0.000 1.090 164 F CA -1.541 56.416 58.000 -0.072 0.000 1.065 164 F CB 1.645 40.624 39.000 -0.035 0.000 1.184 164 F HN 0.445 nan 8.300 nan 0.000 0.499 165 P HA 0.375 nan 4.420 nan 0.000 0.278 165 P C -1.245 176.080 177.300 0.043 0.000 1.258 165 P CA -0.582 62.567 63.100 0.083 0.000 0.811 165 P CB 1.079 32.598 31.700 -0.302 0.000 1.063 166 C N -0.321 119.030 119.300 0.085 0.000 2.889 166 C HA 0.764 5.225 4.460 0.002 0.000 0.307 166 C C -0.608 174.398 174.990 0.026 0.000 1.251 166 C CA -0.941 58.105 59.018 0.046 0.000 1.593 166 C CB 0.206 27.982 27.740 0.061 0.000 2.104 166 C HN 0.361 nan 8.230 nan 0.000 0.476 167 I N 2.244 122.815 120.570 0.002 0.000 2.336 167 I HA 0.491 4.662 4.170 0.002 0.000 0.292 167 I C -0.007 176.123 176.117 0.021 0.000 0.991 167 I CA -0.814 60.480 61.300 -0.010 0.000 1.227 167 I CB 1.055 39.029 38.000 -0.043 0.000 1.366 167 I HN 0.563 nan 8.210 nan 0.000 0.466 168 I N 7.029 127.606 120.570 0.013 0.000 2.339 168 I HA 0.469 4.640 4.170 0.002 0.000 0.290 168 I C 0.031 176.136 176.117 -0.020 0.000 0.994 168 I CA -0.358 60.940 61.300 -0.003 0.000 1.191 168 I CB 0.572 38.541 38.000 -0.052 0.000 1.343 168 I HN 0.376 nan 8.210 nan 0.000 0.458 169 R N 6.937 127.425 120.500 -0.021 0.000 2.468 169 R HA 0.389 4.730 4.340 0.002 0.000 0.302 169 R C -2.694 173.591 176.300 -0.025 0.000 1.041 169 R CA -1.797 54.288 56.100 -0.026 0.000 0.899 169 R CB 1.574 31.852 30.300 -0.037 0.000 1.167 169 R HN 0.249 nan 8.270 nan 0.000 0.483 170 P HA 0.031 nan 4.420 nan 0.000 0.269 170 P C -0.369 176.935 177.300 0.006 0.000 1.215 170 P CA -0.117 62.983 63.100 0.001 0.000 0.780 170 P CB 0.807 32.512 31.700 0.010 0.000 0.898 171 S N 1.169 116.899 115.700 0.050 0.000 2.562 171 S HA 0.403 4.874 4.470 0.002 0.000 0.275 171 S C -0.026 174.680 174.600 0.178 0.000 1.281 171 S CA -0.143 58.094 58.200 0.061 0.000 1.045 171 S CB -0.800 62.496 63.200 0.160 0.000 0.962 171 S HN 0.462 nan 8.310 nan 0.000 0.503 172 F N 0.253 120.185 119.950 -0.031 0.000 2.999 172 F HA -0.231 4.296 4.527 0.002 0.000 0.291 172 F C 0.813 176.590 175.800 -0.038 0.000 0.824 172 F CA 0.759 58.738 58.000 -0.035 0.000 1.255 172 F CB -1.931 37.051 39.000 -0.029 0.000 1.333 172 F HN 0.642 nan 8.300 nan 0.000 0.502 173 T N -1.772 112.805 114.554 0.038 0.000 2.865 173 T HA 0.904 5.255 4.350 0.002 0.000 0.294 173 T C -0.270 174.416 174.700 -0.022 0.000 1.119 173 T CA -0.240 61.870 62.100 0.017 0.000 1.007 173 T CB 2.954 71.831 68.868 0.015 0.000 1.225 173 T HN 0.476 nan 8.240 nan 0.000 0.515 174 M N -0.756 118.838 119.600 -0.010 0.000 2.813 174 M HA 0.829 5.310 4.480 0.002 0.000 0.270 174 M C 0.719 177.018 176.300 -0.001 0.000 1.267 174 M CA 0.274 55.581 55.300 0.012 0.000 0.822 174 M CB 0.408 33.019 32.600 0.018 0.000 1.671 174 M HN 1.602 nan 8.290 nan 0.000 0.468 175 G N -0.528 108.284 108.800 0.019 0.000 2.187 175 G HA2 0.170 4.131 3.960 0.002 0.000 0.261 175 G HA3 0.170 4.131 3.960 0.002 0.000 0.261 175 G C 1.166 175.861 174.900 -0.340 0.000 1.000 175 G CA 0.950 45.886 45.100 -0.273 0.000 0.718 175 G HN 2.606 nan 8.290 nan 0.000 0.519 176 G N -1.479 107.286 108.800 -0.060 0.000 2.203 176 G HA2 -0.079 3.882 3.960 0.002 0.000 0.263 176 G HA3 -0.079 3.882 3.960 0.002 0.000 0.263 176 G C 0.524 175.397 174.900 -0.045 0.000 1.012 176 G CA 0.854 45.964 45.100 0.017 0.000 0.749 176 G HN 1.841 nan 8.290 nan 0.000 0.512 177 S N 0.066 115.728 115.700 -0.062 0.000 2.509 177 S HA 0.434 4.905 4.470 0.002 0.000 0.287 177 S C 1.621 176.194 174.600 -0.046 0.000 1.248 177 S CA 1.092 59.252 58.200 -0.066 0.000 1.089 177 S CB 0.921 64.086 63.200 -0.058 0.000 0.900 177 S HN 2.093 nan 8.310 nan 0.000 0.496 178 G N 2.388 111.154 108.800 -0.057 0.000 2.157 178 G HA2 -0.139 3.822 3.960 0.002 0.000 0.248 178 G HA3 -0.139 3.822 3.960 0.002 0.000 0.248 178 G C 0.288 175.158 174.900 -0.050 0.000 0.979 178 G CA -0.181 44.889 45.100 -0.050 0.000 0.650 178 G HN 1.097 nan 8.290 nan 0.000 0.529 179 G N -1.428 107.347 108.800 -0.041 0.000 3.016 179 G HA2 1.059 5.020 3.960 0.002 0.000 0.270 179 G HA3 1.059 5.020 3.960 0.002 0.000 0.270 179 G C 0.251 175.135 174.900 -0.026 0.000 1.352 179 G CA 0.236 45.316 45.100 -0.033 0.000 1.060 179 G HN 1.769 nan 8.290 nan 0.000 0.538 180 G N -1.800 106.991 108.800 -0.015 0.000 2.324 180 G HA2 0.390 4.351 3.960 0.002 0.000 0.293 180 G HA3 0.390 4.351 3.960 0.002 0.000 0.293 180 G C -1.765 173.126 174.900 -0.016 0.000 1.297 180 G CA -0.850 44.249 45.100 -0.002 0.000 0.853 180 G HN 0.685 nan 8.290 nan 0.000 0.535 181 I N 1.218 121.772 120.570 -0.026 0.000 2.354 181 I HA 0.598 4.769 4.170 0.002 0.000 0.292 181 I C 0.585 176.597 176.117 -0.175 0.000 0.989 181 I CA -0.674 60.542 61.300 -0.140 0.000 1.188 181 I CB 1.941 39.805 38.000 -0.226 0.000 1.342 181 I HN 0.746 nan 8.210 nan 0.000 0.457 182 A N 5.795 128.532 122.820 -0.138 0.000 2.253 182 A HA 0.461 4.782 4.320 0.002 0.000 0.316 182 A C -0.359 177.062 177.584 -0.271 0.000 1.327 182 A CA -0.279 51.726 52.037 -0.053 0.000 0.917 182 A CB -0.003 19.195 19.000 0.330 0.000 1.162 182 A HN 0.755 nan 8.150 nan 0.000 0.535 183 Y N 1.699 121.906 120.300 -0.156 0.000 2.500 183 Y HA 0.091 4.642 4.550 0.002 0.000 0.270 183 Y C 0.863 176.445 175.900 -0.529 0.000 1.134 183 Y CA 0.741 58.722 58.100 -0.198 0.000 1.293 183 Y CB 0.225 38.627 38.460 -0.096 0.000 1.063 183 Y HN 0.889 nan 8.280 nan 0.000 0.534 184 N N -2.340 115.939 118.700 -0.701 0.000 2.927 184 N HA 0.169 4.910 4.740 0.002 0.000 0.248 184 N C 0.248 175.297 175.510 -0.769 0.000 1.443 184 N CA -1.036 51.477 53.050 -0.895 0.000 0.870 184 N CB 0.614 38.922 38.487 -0.299 0.000 1.444 184 N HN -0.165 nan 8.380 nan 0.000 0.519 185 R N -0.058 120.202 120.500 -0.401 0.000 2.105 185 R HA -0.158 4.183 4.340 0.002 0.000 0.239 185 R C 1.291 177.652 176.300 0.102 0.000 1.135 185 R CA 1.856 57.974 56.100 0.031 0.000 0.967 185 R CB -0.126 30.256 30.300 0.137 0.000 0.861 185 R HN 0.828 nan 8.270 nan 0.000 0.442 186 E N 0.599 120.809 120.200 0.016 0.000 2.007 186 E HA -0.231 4.120 4.350 0.002 0.000 0.194 186 E C 1.727 178.348 176.600 0.035 0.000 0.999 186 E CA 1.629 58.048 56.400 0.032 0.000 0.811 186 E CB -0.053 29.651 29.700 0.006 0.000 0.762 186 E HN 0.423 nan 8.360 nan 0.000 0.450 187 E N -0.263 119.938 120.200 0.002 0.000 2.114 187 E HA -0.233 4.118 4.350 0.002 0.000 0.199 187 E C 1.930 178.545 176.600 0.026 0.000 1.008 187 E CA 1.375 57.780 56.400 0.008 0.000 0.810 187 E CB -0.322 29.381 29.700 0.005 0.000 0.739 187 E HN 0.323 nan 8.360 nan 0.000 0.456 188 F N 1.855 121.755 119.950 -0.084 0.000 2.095 188 F HA -0.236 4.292 4.527 0.001 0.000 0.298 188 F C 2.126 177.943 175.800 0.028 0.000 1.104 188 F CA 1.742 59.740 58.000 -0.003 0.000 1.232 188 F CB 0.091 39.143 39.000 0.086 0.000 0.987 188 F HN -0.042 nan 8.300 nan 0.000 0.475 189 E N -0.258 119.984 120.200 0.069 0.000 2.106 189 E HA -0.246 4.105 4.350 0.002 0.000 0.192 189 E C 2.174 178.715 176.600 -0.098 0.000 0.984 189 E CA 1.116 57.503 56.400 -0.023 0.000 0.806 189 E CB -0.338 29.414 29.700 0.086 0.000 0.750 189 E HN 0.570 nan 8.360 nan 0.000 0.458 190 E N 1.143 121.305 120.200 -0.062 0.000 2.023 190 E HA -0.236 4.115 4.350 0.002 0.000 0.196 190 E C 2.141 178.674 176.600 -0.111 0.000 1.003 190 E CA 1.289 57.650 56.400 -0.065 0.000 0.809 190 E CB -0.117 29.561 29.700 -0.038 0.000 0.755 190 E HN 0.210 nan 8.360 nan 0.000 0.449 191 I N 0.693 121.175 120.570 -0.147 0.000 2.163 191 I HA -0.358 3.813 4.170 0.002 0.000 0.243 191 I C 2.839 178.829 176.117 -0.212 0.000 1.085 191 I CA 1.005 62.206 61.300 -0.164 0.000 1.347 191 I CB -0.446 37.456 38.000 -0.164 0.000 1.044 191 I HN 0.329 nan 8.210 nan 0.000 0.408 192 C N 0.779 119.866 119.300 -0.354 0.000 2.429 192 C HA -0.158 4.303 4.460 0.002 0.000 0.277 192 C C 3.244 178.135 174.990 -0.166 0.000 1.262 192 C CA 0.993 59.814 59.018 -0.328 0.000 1.733 192 C CB -1.225 26.201 27.740 -0.522 0.000 2.010 192 C HN 0.619 nan 8.230 nan 0.000 0.483 193 A N 0.352 123.094 122.820 -0.130 0.000 1.877 193 A HA -0.241 4.080 4.320 0.002 0.000 0.216 193 A C 2.220 179.771 177.584 -0.056 0.000 1.186 193 A CA 1.976 53.977 52.037 -0.060 0.000 0.620 193 A CB -0.672 18.311 19.000 -0.028 0.000 0.822 193 A HN 0.669 nan 8.150 nan 0.000 0.443 194 R N -0.644 119.808 120.500 -0.080 0.000 2.080 194 R HA -0.135 4.206 4.340 0.002 0.000 0.236 194 R C 2.244 178.510 176.300 -0.057 0.000 1.137 194 R CA 1.922 57.977 56.100 -0.075 0.000 0.943 194 R CB -0.796 29.453 30.300 -0.085 0.000 0.846 194 R HN 0.438 nan 8.270 nan 0.000 0.431 195 G N 0.534 109.295 108.800 -0.065 0.000 2.422 195 G HA2 -0.186 3.775 3.960 0.002 0.000 0.218 195 G HA3 -0.186 3.775 3.960 0.002 0.000 0.218 195 G C 1.458 176.347 174.900 -0.018 0.000 1.140 195 G CA 0.455 45.529 45.100 -0.044 0.000 0.775 195 G HN 0.245 nan 8.290 nan 0.000 0.545 196 L N 0.066 121.278 121.223 -0.020 0.000 2.046 196 L HA -0.051 4.290 4.340 0.002 0.000 0.208 196 L C 2.532 179.415 176.870 0.021 0.000 1.077 196 L CA 1.392 56.239 54.840 0.010 0.000 0.747 196 L CB -0.238 41.830 42.059 0.015 0.000 0.896 196 L HN 0.131 nan 8.230 nan 0.000 0.432 197 D N -0.325 120.082 120.400 0.012 0.000 2.117 197 D HA -0.187 4.454 4.640 0.002 0.000 0.198 197 D C 1.981 178.291 176.300 0.017 0.000 0.982 197 D CA 0.863 54.876 54.000 0.021 0.000 0.828 197 D CB 0.103 40.916 40.800 0.022 0.000 0.967 197 D HN 0.072 nan 8.370 nan 0.000 0.464 198 L N 0.198 121.424 121.223 0.005 0.000 2.109 198 L HA 0.093 4.434 4.340 0.002 0.000 0.207 198 L C 0.793 177.674 176.870 0.018 0.000 1.086 198 L CA 0.836 55.679 54.840 0.006 0.000 0.760 198 L CB -0.810 41.243 42.059 -0.010 0.000 0.910 198 L HN -0.130 nan 8.230 nan 0.000 0.437 199 S N 0.537 116.253 115.700 0.027 0.000 2.596 199 S HA 0.032 4.502 4.470 0.002 0.000 0.298 199 S C -1.358 173.266 174.600 0.040 0.000 1.255 199 S CA -0.799 57.434 58.200 0.054 0.000 1.083 199 S CB 0.306 63.547 63.200 0.069 0.000 0.837 199 S HN 0.203 nan 8.310 nan 0.000 0.499 200 P HA -0.043 nan 4.420 nan 0.000 0.219 200 P C 1.073 178.316 177.300 -0.095 0.000 1.146 200 P CA 1.181 64.249 63.100 -0.054 0.000 0.808 200 P CB -0.195 31.426 31.700 -0.133 0.000 0.779 201 T N -5.266 109.273 114.554 -0.025 0.000 3.134 201 T HA 0.192 4.543 4.350 0.002 0.000 0.260 201 T C 0.645 175.375 174.700 0.049 0.000 1.027 201 T CA -0.573 61.517 62.100 -0.016 0.000 0.913 201 T CB -0.546 68.345 68.868 0.039 0.000 1.046 201 T HN -0.056 nan 8.240 nan 0.000 0.553 202 K N 1.164 121.599 120.400 0.058 0.000 3.451 202 K HA -0.200 4.121 4.320 0.002 0.000 0.273 202 K C -0.716 175.990 176.600 0.176 0.000 0.944 202 K CA 0.739 57.075 56.287 0.082 0.000 0.734 202 K CB -1.144 31.386 32.500 0.049 0.000 1.437 202 K HN 0.856 nan 8.250 nan 0.000 0.454 203 E N 1.619 121.916 120.200 0.162 0.000 2.321 203 E HA 0.340 4.691 4.350 0.002 0.000 0.281 203 E C -1.041 175.599 176.600 0.066 0.000 0.910 203 E CA -0.776 55.732 56.400 0.181 0.000 0.770 203 E CB 1.084 30.945 29.700 0.268 0.000 1.225 203 E HN 0.256 nan 8.360 nan 0.000 0.417 204 L N 3.384 124.605 121.223 -0.004 0.000 2.322 204 L HA 0.631 4.972 4.340 0.002 0.000 0.269 204 L C -0.748 176.100 176.870 -0.038 0.000 1.012 204 L CA -1.299 53.528 54.840 -0.021 0.000 0.815 204 L CB 1.542 43.582 42.059 -0.032 0.000 1.295 204 L HN 0.501 nan 8.230 nan 0.000 0.438 205 L N 2.338 123.548 121.223 -0.022 0.000 2.376 205 L HA 0.576 4.917 4.340 0.002 0.000 0.275 205 L C -1.057 175.812 176.870 -0.002 0.000 0.987 205 L CA 0.071 54.901 54.840 -0.017 0.000 0.828 205 L CB 1.469 43.520 42.059 -0.013 0.000 1.249 205 L HN 0.344 nan 8.230 nan 0.000 0.409 206 I N 4.325 124.902 120.570 0.013 0.000 2.378 206 I HA 0.459 4.630 4.170 0.002 0.000 0.291 206 I C -0.804 175.318 176.117 0.008 0.000 0.992 206 I CA -0.189 61.139 61.300 0.046 0.000 1.154 206 I CB 1.536 39.610 38.000 0.123 0.000 1.315 206 I HN 0.599 nan 8.210 nan 0.000 0.448 207 D N 4.081 124.479 120.400 -0.004 0.000 2.419 207 D HA 0.345 4.986 4.640 0.002 0.000 0.234 207 D C -0.643 175.624 176.300 -0.056 0.000 1.014 207 D CA -0.775 53.202 54.000 -0.039 0.000 0.919 207 D CB 1.192 41.959 40.800 -0.054 0.000 1.366 207 D HN 0.570 nan 8.370 nan 0.000 0.490 208 E N -0.408 119.744 120.200 -0.081 0.000 2.392 208 E HA 0.289 4.640 4.350 0.002 0.000 0.256 208 E C -0.384 176.146 176.600 -0.116 0.000 1.145 208 E CA -0.756 55.587 56.400 -0.094 0.000 0.929 208 E CB 0.866 30.509 29.700 -0.095 0.000 0.998 208 E HN 0.177 nan 8.360 nan 0.000 0.442 209 S N 1.040 116.675 115.700 -0.108 0.000 2.528 209 S HA 0.172 4.643 4.470 0.002 0.000 0.277 209 S C 0.273 174.742 174.600 -0.218 0.000 1.297 209 S CA -0.657 57.466 58.200 -0.128 0.000 1.052 209 S CB 0.032 63.190 63.200 -0.069 0.000 0.917 209 S HN 0.550 nan 8.310 nan 0.000 0.492 210 L N 5.233 126.266 121.223 -0.317 0.000 3.122 210 L HA 0.404 4.745 4.340 0.002 0.000 0.274 210 L C -0.110 176.567 176.870 -0.323 0.000 1.222 210 L CA -0.265 54.188 54.840 -0.645 0.000 1.028 210 L CB 0.071 41.592 42.059 -0.897 0.000 1.386 210 L HN 0.608 nan 8.230 nan 0.000 0.578 211 I N 1.573 122.076 120.570 -0.112 0.000 2.828 211 I HA -0.054 4.117 4.170 0.002 0.000 0.292 211 I C 1.457 177.635 176.117 0.102 0.000 1.206 211 I CA 1.434 62.740 61.300 0.010 0.000 1.420 211 I CB 0.326 38.351 38.000 0.041 0.000 1.368 211 I HN 0.484 nan 8.210 nan 0.000 0.556 212 G N 4.564 113.444 108.800 0.132 0.000 2.232 212 G HA2 -0.213 3.748 3.960 0.002 0.000 0.226 212 G HA3 -0.213 3.748 3.960 0.002 0.000 0.226 212 G C -0.083 175.003 174.900 0.310 0.000 0.996 212 G CA -0.665 44.532 45.100 0.163 0.000 0.626 212 G HN 0.482 nan 8.290 nan 0.000 0.509 213 W N 1.921 123.255 121.300 0.057 0.000 2.049 213 W HA 0.613 5.274 4.660 0.002 0.000 0.356 213 W C 1.103 177.673 176.519 0.084 0.000 1.323 213 W CA -0.636 56.762 57.345 0.088 0.000 1.336 213 W CB 0.326 29.844 29.460 0.095 0.000 1.176 213 W HN 0.015 nan 8.180 nan 0.000 0.623 214 K N 1.361 121.959 120.400 0.330 0.000 2.295 214 K HA 0.124 4.445 4.320 0.002 0.000 0.270 214 K C -0.329 176.380 176.600 0.182 0.000 1.011 214 K CA -0.290 56.114 56.287 0.194 0.000 0.953 214 K CB 0.794 33.427 32.500 0.222 0.000 0.956 214 K HN 0.365 nan 8.250 nan 0.000 0.477 215 E N 2.204 122.382 120.200 -0.036 0.000 2.187 215 E HA 0.279 4.630 4.350 0.002 0.000 0.268 215 E C -1.608 174.880 176.600 -0.187 0.000 0.896 215 E CA -0.573 55.832 56.400 0.008 0.000 0.766 215 E CB 0.791 30.499 29.700 0.013 0.000 1.142 215 E HN 0.354 nan 8.360 nan 0.000 0.408 216 Y N 1.436 121.839 120.300 0.172 0.000 2.545 216 Y HA 0.402 4.953 4.550 0.002 0.000 0.348 216 Y C -0.480 175.540 175.900 0.200 0.000 1.002 216 Y CA -0.803 57.400 58.100 0.171 0.000 1.039 216 Y CB 2.359 40.912 38.460 0.155 0.000 1.271 216 Y HN 0.450 nan 8.280 nan 0.000 0.467 217 E N 2.466 122.864 120.200 0.330 0.000 2.314 217 E HA 0.627 4.978 4.350 0.002 0.000 0.272 217 E C -1.431 175.296 176.600 0.212 0.000 0.884 217 E CA -0.939 55.602 56.400 0.235 0.000 0.753 217 E CB 3.032 32.805 29.700 0.122 0.000 1.213 217 E HN 0.472 nan 8.360 nan 0.000 0.432 218 M N 1.794 121.511 119.600 0.195 0.000 2.326 218 M HA 0.285 4.766 4.480 0.002 0.000 0.306 218 M C -1.037 175.306 176.300 0.072 0.000 1.054 218 M CA -0.799 54.574 55.300 0.121 0.000 0.922 218 M CB 2.124 34.788 32.600 0.105 0.000 1.632 218 M HN 0.304 nan 8.290 nan 0.000 0.436 219 E N 3.365 123.582 120.200 0.029 0.000 2.115 219 E HA 0.466 4.817 4.350 0.002 0.000 0.282 219 E C -1.100 175.475 176.600 -0.042 0.000 0.987 219 E CA -0.287 56.112 56.400 -0.001 0.000 0.797 219 E CB 1.687 31.380 29.700 -0.012 0.000 1.086 219 E HN 0.366 nan 8.360 nan 0.000 0.397 220 V N 2.129 122.029 119.914 -0.024 0.000 2.715 220 V HA 0.544 4.665 4.120 0.002 0.000 0.310 220 V C 0.058 176.133 176.094 -0.033 0.000 1.054 220 V CA -1.000 61.277 62.300 -0.038 0.000 0.928 220 V CB 2.185 34.008 31.823 -0.001 0.000 1.007 220 V HN 0.321 nan 8.190 nan 0.000 0.437 221 V N 3.369 123.256 119.914 -0.045 0.000 2.638 221 V HA 0.638 4.758 4.120 0.002 0.000 0.306 221 V C -0.290 175.816 176.094 0.019 0.000 1.052 221 V CA -0.651 61.648 62.300 -0.003 0.000 0.885 221 V CB 1.905 33.731 31.823 0.004 0.000 0.999 221 V HN 0.914 nan 8.190 nan 0.000 0.424 222 R N 2.480 123.003 120.500 0.039 0.000 2.628 222 R HA 0.587 4.928 4.340 0.002 0.000 0.288 222 R C -1.473 174.861 176.300 0.056 0.000 0.980 222 R CA -0.513 55.613 56.100 0.043 0.000 0.891 222 R CB 2.099 32.419 30.300 0.034 0.000 1.188 222 R HN 0.968 nan 8.270 nan 0.000 0.450 223 D N 1.824 122.260 120.400 0.060 0.000 2.442 223 D HA 0.120 4.760 4.640 0.002 0.000 0.254 223 D C 0.506 176.838 176.300 0.053 0.000 1.069 223 D CA -0.760 53.281 54.000 0.067 0.000 1.017 223 D CB 1.073 41.925 40.800 0.085 0.000 1.172 223 D HN 0.554 nan 8.370 nan 0.000 0.561 224 K N -0.237 120.193 120.400 0.051 0.000 2.280 224 K HA -0.085 4.236 4.320 0.002 0.000 0.202 224 K C 0.687 177.307 176.600 0.034 0.000 1.047 224 K CA 0.921 57.231 56.287 0.037 0.000 0.942 224 K CB -0.382 32.136 32.500 0.031 0.000 0.739 224 K HN 0.116 nan 8.250 nan 0.000 0.457 225 N N 1.224 119.948 118.700 0.040 0.000 2.521 225 N HA -0.075 4.666 4.740 0.002 0.000 0.188 225 N C -0.456 175.074 175.510 0.035 0.000 1.146 225 N CA 0.875 53.947 53.050 0.036 0.000 0.893 225 N CB -0.017 38.496 38.487 0.042 0.000 0.975 225 N HN 0.340 nan 8.380 nan 0.000 0.451 226 D N -0.727 119.694 120.400 0.035 0.000 3.090 226 D HA -0.163 4.478 4.640 0.002 0.000 0.215 226 D C -0.905 175.417 176.300 0.036 0.000 1.140 226 D CA 0.400 54.420 54.000 0.032 0.000 0.937 226 D CB -1.487 39.328 40.800 0.025 0.000 1.108 226 D HN 0.186 nan 8.370 nan 0.000 0.420 227 N N 0.271 118.998 118.700 0.045 0.000 2.518 227 N HA 0.309 5.050 4.740 0.002 0.000 0.266 227 N C -0.263 175.273 175.510 0.044 0.000 1.196 227 N CA 0.216 53.295 53.050 0.049 0.000 0.947 227 N CB 1.372 39.898 38.487 0.065 0.000 1.098 227 N HN 0.288 nan 8.380 nan 0.000 0.450 228 C N 3.223 122.545 119.300 0.036 0.000 2.608 228 C HA 0.713 5.174 4.460 0.002 0.000 0.325 228 C C -0.578 174.416 174.990 0.005 0.000 1.147 228 C CA -0.688 58.343 59.018 0.021 0.000 1.359 228 C CB -0.377 27.373 27.740 0.018 0.000 1.912 228 C HN 0.737 nan 8.230 nan 0.000 0.466 229 I N 3.171 123.727 120.570 -0.023 0.000 2.934 229 I HA 0.681 4.851 4.170 0.002 0.000 0.306 229 I C -1.159 174.895 176.117 -0.105 0.000 1.110 229 I CA -0.881 60.378 61.300 -0.068 0.000 1.019 229 I CB 1.735 39.664 38.000 -0.117 0.000 1.227 229 I HN 0.255 nan 8.210 nan 0.000 0.434 230 I N 4.660 125.163 120.570 -0.110 0.000 2.297 230 I HA 0.184 4.355 4.170 0.002 0.000 0.291 230 I C 1.019 177.013 176.117 -0.205 0.000 1.033 230 I CA -0.393 60.843 61.300 -0.106 0.000 1.253 230 I CB 1.238 39.222 38.000 -0.027 0.000 1.396 230 I HN 0.576 nan 8.210 nan 0.000 0.476 231 V N 5.037 124.780 119.914 -0.285 0.000 2.488 231 V HA -0.051 4.070 4.120 0.002 0.000 0.246 231 V C 0.773 176.737 176.094 -0.217 0.000 1.046 231 V CA 1.059 63.093 62.300 -0.443 0.000 1.053 231 V CB 0.320 31.769 31.823 -0.623 0.000 0.679 231 V HN 0.884 nan 8.190 nan 0.000 0.458 232 C N -0.310 118.933 119.300 -0.096 0.000 3.241 232 C HA 0.594 5.055 4.460 0.002 0.000 0.348 232 C C -0.370 174.648 174.990 0.046 0.000 1.180 232 C CA -0.397 58.616 59.018 -0.009 0.000 1.273 232 C CB 1.287 29.031 27.740 0.007 0.000 1.620 232 C HN 0.478 nan 8.230 nan 0.000 0.510 233 S N 4.056 119.817 115.700 0.101 0.000 2.503 233 S HA 0.880 5.351 4.470 0.002 0.000 0.301 233 S C -1.076 173.622 174.600 0.163 0.000 1.087 233 S CA -0.570 57.718 58.200 0.147 0.000 1.042 233 S CB 1.185 64.528 63.200 0.239 0.000 1.043 233 S HN 0.715 nan 8.310 nan 0.000 0.489 234 I N 1.601 122.286 120.570 0.192 0.000 2.466 234 I HA 0.412 4.583 4.170 0.002 0.000 0.289 234 I C -0.332 175.905 176.117 0.199 0.000 1.026 234 I CA -0.417 60.985 61.300 0.171 0.000 1.078 234 I CB 2.086 40.158 38.000 0.120 0.000 1.249 234 I HN 0.778 nan 8.210 nan 0.000 0.429 235 E N 6.569 126.860 120.200 0.153 0.000 2.134 235 E HA 0.303 4.654 4.350 0.002 0.000 0.278 235 E C -0.757 175.831 176.600 -0.020 0.000 0.959 235 E CA -0.566 55.815 56.400 -0.031 0.000 0.783 235 E CB 1.042 30.809 29.700 0.111 0.000 1.095 235 E HN 0.547 nan 8.360 nan 0.000 0.399 236 N N 4.001 122.619 118.700 -0.137 0.000 2.530 236 N HA 0.041 4.782 4.740 0.002 0.000 0.273 236 N C 0.266 175.747 175.510 -0.048 0.000 1.173 236 N CA -0.112 52.913 53.050 -0.042 0.000 0.967 236 N CB 0.710 39.173 38.487 -0.040 0.000 1.109 236 N HN 0.532 nan 8.380 nan 0.000 0.453 237 F N 1.925 121.713 119.950 -0.270 0.000 2.128 237 F HA 0.002 4.530 4.527 0.002 0.000 0.295 237 F C 0.596 176.266 175.800 -0.216 0.000 1.100 237 F CA 0.833 58.523 58.000 -0.518 0.000 1.260 237 F CB 0.245 38.926 39.000 -0.533 0.000 1.009 237 F HN 0.386 nan 8.300 nan 0.000 0.476 238 D N 1.648 122.107 120.400 0.099 0.000 2.351 238 D HA 0.292 4.933 4.640 0.002 0.000 0.251 238 D C 0.334 176.636 176.300 0.003 0.000 1.137 238 D CA 0.373 54.407 54.000 0.056 0.000 0.879 238 D CB 1.357 42.258 40.800 0.167 0.000 1.181 238 D HN 0.318 nan 8.370 nan 0.000 0.448 239 A N 3.223 126.037 122.820 -0.010 0.000 2.267 239 A HA 0.270 4.591 4.320 0.002 0.000 0.271 239 A C 0.774 178.386 177.584 0.048 0.000 1.131 239 A CA -0.515 51.537 52.037 0.024 0.000 0.818 239 A CB 0.255 19.276 19.000 0.035 0.000 1.118 239 A HN 0.526 nan 8.150 nan 0.000 0.501 240 M N -0.266 119.379 119.600 0.076 0.000 2.245 240 M HA 0.233 4.714 4.480 0.002 0.000 0.335 240 M C 1.415 177.739 176.300 0.039 0.000 1.155 240 M CA 1.992 57.323 55.300 0.052 0.000 1.055 240 M CB -0.305 32.329 32.600 0.057 0.000 1.670 240 M HN 1.459 nan 8.290 nan 0.000 0.447 241 G N 3.161 111.978 108.800 0.027 0.000 2.352 241 G HA2 -0.167 3.794 3.960 0.002 0.000 0.204 241 G HA3 -0.167 3.794 3.960 0.002 0.000 0.204 241 G C 0.043 174.989 174.900 0.076 0.000 1.004 241 G CA -0.571 44.556 45.100 0.046 0.000 0.648 241 G HN 0.560 nan 8.290 nan 0.000 0.491 242 I N 2.569 123.188 120.570 0.082 0.000 2.382 242 I HA 0.326 4.497 4.170 0.002 0.000 0.285 242 I C 0.633 176.831 176.117 0.136 0.000 1.007 242 I CA -1.047 60.329 61.300 0.127 0.000 1.142 242 I CB 1.230 39.310 38.000 0.133 0.000 1.289 242 I HN 0.186 nan 8.210 nan 0.000 0.453 243 H N 5.243 124.361 119.070 0.080 0.000 3.152 243 H HA -0.100 4.457 4.556 0.002 0.000 0.319 243 H C 1.292 176.661 175.328 0.069 0.000 0.994 243 H CA 1.340 57.425 56.048 0.063 0.000 1.370 243 H CB 1.152 30.950 29.762 0.060 0.000 1.322 243 H HN 0.872 nan 8.280 nan 0.000 0.590 244 T N 0.906 115.351 114.554 -0.181 0.000 2.721 244 T HA -0.186 4.165 4.350 0.002 0.000 0.268 244 T C 2.119 176.943 174.700 0.206 0.000 1.038 244 T CA 1.366 63.472 62.100 0.009 0.000 1.145 244 T CB -0.702 68.113 68.868 -0.088 0.000 0.858 244 T HN 0.629 nan 8.240 nan 0.000 0.459 245 G N 0.763 109.870 108.800 0.511 0.000 2.484 245 G HA2 -0.028 3.933 3.960 0.002 0.000 0.218 245 G HA3 -0.028 3.933 3.960 0.002 0.000 0.218 245 G C 1.019 175.999 174.900 0.134 0.000 1.130 245 G CA 0.647 45.890 45.100 0.238 0.000 0.784 245 G HN 0.513 nan 8.290 nan 0.000 0.543 246 D N -0.202 120.341 120.400 0.238 0.000 2.363 246 D HA 0.244 4.885 4.640 0.002 0.000 0.214 246 D C 0.600 177.099 176.300 0.332 0.000 1.093 246 D CA 0.035 54.222 54.000 0.313 0.000 0.837 246 D CB 0.703 41.773 40.800 0.449 0.000 0.948 246 D HN 0.067 nan 8.370 nan 0.000 0.507 247 S N -0.174 115.654 115.700 0.213 0.000 2.651 247 S HA 0.489 4.960 4.470 0.002 0.000 0.291 247 S C 0.319 174.989 174.600 0.116 0.000 1.141 247 S CA -0.652 57.654 58.200 0.177 0.000 1.027 247 S CB 1.693 64.971 63.200 0.130 0.000 1.043 247 S HN 0.030 nan 8.310 nan 0.000 0.530 248 I N 2.617 123.244 120.570 0.096 0.000 2.441 248 I HA 0.286 4.457 4.170 0.002 0.000 0.287 248 I C 0.579 176.708 176.117 0.020 0.000 1.049 248 I CA 0.082 61.364 61.300 -0.030 0.000 1.381 248 I CB 1.005 38.829 38.000 -0.294 0.000 1.409 248 I HN 0.669 nan 8.210 nan 0.000 0.523 249 T N 3.760 118.316 114.554 0.003 0.000 2.896 249 T HA 0.802 5.153 4.350 0.002 0.000 0.297 249 T C -0.557 174.174 174.700 0.052 0.000 1.108 249 T CA -0.756 61.366 62.100 0.037 0.000 1.004 249 T CB 1.932 70.827 68.868 0.046 0.000 1.159 249 T HN 0.437 nan 8.240 nan 0.000 0.499 250 V N -1.812 118.167 119.914 0.108 0.000 3.078 250 V HA 1.033 5.154 4.120 0.002 0.000 0.311 250 V C -0.646 175.535 176.094 0.146 0.000 1.138 250 V CA -1.206 61.182 62.300 0.147 0.000 1.007 250 V CB 1.247 33.225 31.823 0.258 0.000 1.045 250 V HN 1.608 nan 8.190 nan 0.000 0.432 251 A N 3.606 126.502 122.820 0.127 0.000 2.393 251 A HA 1.042 5.363 4.320 0.002 0.000 0.306 251 A C -2.859 174.776 177.584 0.086 0.000 1.050 251 A CA -1.780 50.320 52.037 0.106 0.000 0.724 251 A CB 1.919 20.969 19.000 0.084 0.000 1.248 251 A HN 0.793 nan 8.150 nan 0.000 0.424 252 P HA 0.483 nan 4.420 nan 0.000 0.317 252 P C 0.157 177.520 177.300 0.106 0.000 1.307 252 P CA -0.199 62.942 63.100 0.068 0.000 0.749 252 P CB 0.577 32.282 31.700 0.009 0.000 1.377 253 A N 0.096 123.012 122.820 0.161 0.000 2.466 253 A HA 0.096 4.417 4.320 0.002 0.000 0.238 253 A C 1.109 178.714 177.584 0.035 0.000 1.074 253 A CA 0.266 52.438 52.037 0.224 0.000 0.774 253 A CB -0.308 18.894 19.000 0.337 0.000 1.015 253 A HN 0.476 nan 8.150 nan 0.000 0.498 254 Q N -0.024 119.731 119.800 -0.074 0.000 2.477 254 Q HA 0.025 4.366 4.340 0.002 0.000 0.252 254 Q C 1.178 176.857 176.000 -0.534 0.000 0.869 254 Q CA 1.533 57.057 55.803 -0.466 0.000 0.969 254 Q CB -0.046 28.049 28.738 -1.072 0.000 1.144 254 Q HN 0.977 nan 8.270 nan 0.000 0.577 255 T N -1.398 112.966 114.554 -0.316 0.000 3.258 255 T HA 0.525 4.876 4.350 0.002 0.000 0.263 255 T C 0.327 174.972 174.700 -0.092 0.000 0.983 255 T CA -0.163 61.786 62.100 -0.251 0.000 0.907 255 T CB -0.487 68.264 68.868 -0.196 0.000 1.096 255 T HN -0.104 nan 8.240 nan 0.000 0.556 256 L N 2.364 123.536 121.223 -0.086 0.000 2.334 256 L HA 0.562 4.903 4.340 0.002 0.000 0.276 256 L C 0.794 177.610 176.870 -0.089 0.000 1.014 256 L CA -1.098 53.685 54.840 -0.096 0.000 0.815 256 L CB 1.989 43.964 42.059 -0.140 0.000 1.268 256 L HN 0.302 nan 8.230 nan 0.000 0.428 257 T N -2.950 111.554 114.554 -0.083 0.000 2.828 257 T HA 0.041 4.392 4.350 0.002 0.000 0.290 257 T C 0.692 175.362 174.700 -0.051 0.000 1.019 257 T CA -0.536 61.520 62.100 -0.074 0.000 1.031 257 T CB 1.344 70.172 68.868 -0.066 0.000 1.001 257 T HN 0.687 nan 8.240 nan 0.000 0.531 258 D N 0.351 120.714 120.400 -0.061 0.000 2.149 258 D HA -0.130 4.511 4.640 0.002 0.000 0.198 258 D C 1.961 178.260 176.300 -0.002 0.000 0.990 258 D CA 1.435 55.408 54.000 -0.045 0.000 0.839 258 D CB -0.054 40.705 40.800 -0.069 0.000 0.948 258 D HN 0.644 nan 8.370 nan 0.000 0.460 259 K N -0.132 120.252 120.400 -0.028 0.000 2.057 259 K HA -0.152 4.169 4.320 0.002 0.000 0.207 259 K C 2.142 178.716 176.600 -0.044 0.000 1.049 259 K CA 1.413 57.681 56.287 -0.031 0.000 0.931 259 K CB -0.043 32.433 32.500 -0.040 0.000 0.714 259 K HN 0.313 nan 8.250 nan 0.000 0.440 260 E N -0.477 119.687 120.200 -0.060 0.000 2.107 260 E HA -0.189 4.162 4.350 0.002 0.000 0.191 260 E C 1.776 178.286 176.600 -0.150 0.000 0.982 260 E CA 0.815 57.145 56.400 -0.116 0.000 0.809 260 E CB -0.119 29.496 29.700 -0.142 0.000 0.756 260 E HN 0.312 nan 8.360 nan 0.000 0.459 261 Y N 2.126 122.298 120.300 -0.212 0.000 2.181 261 Y HA -0.264 4.287 4.550 0.002 0.000 0.288 261 Y C 2.269 178.053 175.900 -0.193 0.000 1.146 261 Y CA 1.572 59.537 58.100 -0.225 0.000 1.164 261 Y CB 0.140 38.496 38.460 -0.174 0.000 0.982 261 Y HN -0.044 nan 8.280 nan 0.000 0.515 262 Q N 0.296 120.124 119.800 0.046 0.000 2.084 262 Q HA -0.176 4.165 4.340 0.002 0.000 0.202 262 Q C 2.468 178.396 176.000 -0.120 0.000 0.978 262 Q CA 1.970 57.767 55.803 -0.010 0.000 0.844 262 Q CB -0.590 28.163 28.738 0.024 0.000 0.898 262 Q HN 0.615 nan 8.270 nan 0.000 0.426 263 I N 0.479 120.966 120.570 -0.138 0.000 2.226 263 I HA -0.273 3.898 4.170 0.002 0.000 0.245 263 I C 2.559 178.523 176.117 -0.255 0.000 1.100 263 I CA 1.092 62.298 61.300 -0.156 0.000 1.374 263 I CB -0.252 37.664 38.000 -0.140 0.000 1.057 263 I HN 0.209 nan 8.210 nan 0.000 0.413 264 M N 0.581 119.933 119.600 -0.414 0.000 2.175 264 M HA -0.215 4.266 4.480 0.002 0.000 0.264 264 M C 2.525 178.502 176.300 -0.538 0.000 1.063 264 M CA 1.596 56.490 55.300 -0.678 0.000 1.119 264 M CB -0.148 31.907 32.600 -0.908 0.000 1.377 264 M HN 0.091 nan 8.290 nan 0.000 0.415 265 R N 0.205 120.425 120.500 -0.467 0.000 2.075 265 R HA -0.146 4.195 4.340 0.002 0.000 0.232 265 R C 1.499 177.715 176.300 -0.140 0.000 1.126 265 R CA 2.316 58.230 56.100 -0.309 0.000 0.963 265 R CB -0.497 29.648 30.300 -0.258 0.000 0.858 265 R HN 0.552 nan 8.270 nan 0.000 0.435 266 N N 0.056 118.685 118.700 -0.119 0.000 2.120 266 N HA -0.139 4.602 4.740 0.002 0.000 0.188 266 N C 1.823 177.320 175.510 -0.022 0.000 1.024 266 N CA 1.000 54.017 53.050 -0.055 0.000 0.852 266 N CB -0.137 38.322 38.487 -0.048 0.000 1.003 266 N HN 0.315 nan 8.380 nan 0.000 0.424 267 A N 0.810 123.614 122.820 -0.028 0.000 1.902 267 A HA -0.125 4.196 4.320 0.002 0.000 0.217 267 A C 2.349 180.031 177.584 0.164 0.000 1.181 267 A CA 1.467 53.549 52.037 0.075 0.000 0.623 267 A CB -0.622 18.454 19.000 0.126 0.000 0.818 267 A HN 0.177 nan 8.150 nan 0.000 0.443 268 S N -0.058 115.754 115.700 0.186 0.000 2.353 268 S HA -0.215 4.256 4.470 0.002 0.000 0.222 268 S C 2.065 176.725 174.600 0.100 0.000 1.035 268 S CA 1.940 60.271 58.200 0.218 0.000 1.025 268 S CB -0.464 62.826 63.200 0.151 0.000 0.902 268 S HN 0.598 nan 8.310 nan 0.000 0.440 269 M N 1.164 120.793 119.600 0.049 0.000 2.117 269 M HA -0.077 4.404 4.480 0.002 0.000 0.262 269 M C 2.590 178.909 176.300 0.032 0.000 1.065 269 M CA 1.436 56.755 55.300 0.031 0.000 1.114 269 M CB -0.843 31.765 32.600 0.013 0.000 1.361 269 M HN 0.387 nan 8.290 nan 0.000 0.408 270 A N 0.377 123.216 122.820 0.032 0.000 1.940 270 A HA -0.112 4.209 4.320 0.002 0.000 0.219 270 A C 2.315 179.910 177.584 0.018 0.000 1.176 270 A CA 1.818 53.867 52.037 0.020 0.000 0.631 270 A CB -1.058 17.951 19.000 0.016 0.000 0.814 270 A HN 0.317 nan 8.150 nan 0.000 0.446 271 V N -0.623 119.315 119.914 0.040 0.000 2.343 271 V HA -0.230 3.891 4.120 0.002 0.000 0.247 271 V C 2.500 178.619 176.094 0.043 0.000 1.051 271 V CA 1.920 64.240 62.300 0.033 0.000 1.036 271 V CB -0.719 31.149 31.823 0.076 0.000 0.654 271 V HN 0.496 nan 8.190 nan 0.000 0.451 272 L N -0.516 120.736 121.223 0.047 0.000 2.083 272 L HA -0.119 4.222 4.340 0.002 0.000 0.209 272 L C 2.578 179.465 176.870 0.030 0.000 1.083 272 L CA 1.842 56.707 54.840 0.042 0.000 0.752 272 L CB -0.663 41.418 42.059 0.037 0.000 0.899 272 L HN 0.187 nan 8.230 nan 0.000 0.433 273 R N -0.830 119.683 120.500 0.022 0.000 2.073 273 R HA -0.211 4.130 4.340 0.002 0.000 0.234 273 R C 2.242 178.546 176.300 0.007 0.000 1.134 273 R CA 1.516 57.625 56.100 0.014 0.000 0.952 273 R CB -0.213 30.094 30.300 0.011 0.000 0.850 273 R HN 0.279 nan 8.270 nan 0.000 0.433 274 E N 0.798 120.996 120.200 -0.002 0.000 2.047 274 E HA -0.151 4.200 4.350 0.002 0.000 0.191 274 E C 1.623 178.218 176.600 -0.008 0.000 0.987 274 E CA 1.153 57.542 56.400 -0.018 0.000 0.799 274 E CB -0.147 29.525 29.700 -0.048 0.000 0.752 274 E HN 0.065 nan 8.360 nan 0.000 0.449 275 I N 0.182 120.758 120.570 0.010 0.000 2.264 275 I HA -0.020 4.151 4.170 0.002 0.000 0.248 275 I C 1.822 177.957 176.117 0.029 0.000 1.111 275 I CA 1.808 63.130 61.300 0.036 0.000 1.382 275 I CB -0.688 37.360 38.000 0.079 0.000 1.060 275 I HN 0.461 nan 8.210 nan 0.000 0.418 276 G N -0.575 108.239 108.800 0.024 0.000 2.143 276 G HA2 -0.163 3.798 3.960 0.002 0.000 0.175 276 G HA3 -0.163 3.798 3.960 0.002 0.000 0.175 276 G C 0.186 175.100 174.900 0.024 0.000 1.004 276 G CA -0.010 45.102 45.100 0.021 0.000 0.671 276 G HN 0.140 nan 8.290 nan 0.000 0.512 277 V N 0.596 120.526 119.914 0.028 0.000 2.439 277 V HA 0.375 4.496 4.120 0.002 0.000 0.271 277 V C 1.190 177.301 176.094 0.028 0.000 1.040 277 V CA 0.961 63.278 62.300 0.028 0.000 1.002 277 V CB 1.348 33.189 31.823 0.030 0.000 1.000 277 V HN 0.488 nan 8.190 nan 0.000 0.477 278 E N 2.077 122.294 120.200 0.028 0.000 2.434 278 E HA 0.051 4.402 4.350 0.002 0.000 0.207 278 E C 0.773 177.395 176.600 0.035 0.000 0.929 278 E CA 0.504 56.921 56.400 0.029 0.000 1.001 278 E CB 0.763 30.478 29.700 0.025 0.000 1.016 278 E HN 0.847 nan 8.360 nan 0.000 0.502 279 T N -1.502 113.073 114.554 0.036 0.000 3.483 279 T HA 0.642 4.993 4.350 0.002 0.000 0.258 279 T C 0.132 174.861 174.700 0.047 0.000 1.013 279 T CA -0.284 61.842 62.100 0.044 0.000 1.078 279 T CB 0.983 69.873 68.868 0.038 0.000 1.111 279 T HN 0.136 nan 8.240 nan 0.000 0.538 280 G N -0.255 108.574 108.800 0.049 0.000 2.435 280 G HA2 0.650 4.611 3.960 0.002 0.000 0.296 280 G HA3 0.650 4.611 3.960 0.002 0.000 0.296 280 G C -0.738 174.194 174.900 0.052 0.000 1.240 280 G CA -0.220 44.913 45.100 0.054 0.000 0.872 280 G HN 0.546 nan 8.290 nan 0.000 0.480 281 G N -1.020 107.813 108.800 0.054 0.000 2.471 281 G HA2 0.667 4.628 3.960 0.002 0.000 0.332 281 G HA3 0.667 4.628 3.960 0.002 0.000 0.332 281 G C -0.705 174.218 174.900 0.039 0.000 1.176 281 G CA 0.079 45.207 45.100 0.045 0.000 0.949 281 G HN 1.165 nan 8.290 nan 0.000 0.488 282 S N -0.802 114.916 115.700 0.030 0.000 2.567 282 S HA 0.368 4.839 4.470 0.002 0.000 0.270 282 S C -1.041 173.571 174.600 0.021 0.000 1.152 282 S CA -0.920 57.295 58.200 0.024 0.000 0.835 282 S CB 1.909 65.121 63.200 0.020 0.000 1.115 282 S HN 0.783 nan 8.310 nan 0.000 0.459 283 N N 1.202 119.909 118.700 0.012 0.000 2.399 283 N HA 0.596 5.337 4.740 0.002 0.000 0.295 283 N C -1.584 173.910 175.510 -0.026 0.000 1.048 283 N CA -0.287 52.768 53.050 0.008 0.000 0.886 283 N CB 1.279 39.773 38.487 0.012 0.000 1.185 283 N HN 0.360 nan 8.380 nan 0.000 0.487 284 V N 2.830 122.733 119.914 -0.018 0.000 2.487 284 V HA 0.349 4.470 4.120 0.002 0.000 0.298 284 V C -0.333 175.639 176.094 -0.203 0.000 1.028 284 V CA -0.773 61.455 62.300 -0.121 0.000 0.860 284 V CB 1.560 33.352 31.823 -0.052 0.000 0.991 284 V HN 0.666 nan 8.190 nan 0.000 0.427 285 Q N 3.040 122.619 119.800 -0.368 0.000 2.266 285 Q HA 0.775 5.116 4.340 0.002 0.000 0.261 285 Q C -1.573 174.088 176.000 -0.564 0.000 0.985 285 Q CA -0.361 55.276 55.803 -0.278 0.000 0.873 285 Q CB 2.629 31.266 28.738 -0.168 0.000 1.306 285 Q HN 0.668 nan 8.270 nan 0.000 0.447 286 F N -0.213 119.798 119.950 0.101 0.000 2.650 286 F HA 0.791 5.319 4.527 0.002 0.000 0.320 286 F C -0.530 175.386 175.800 0.193 0.000 1.091 286 F CA -1.116 56.965 58.000 0.135 0.000 0.962 286 F CB 1.692 40.770 39.000 0.129 0.000 1.363 286 F HN 0.503 nan 8.300 nan 0.000 0.482 287 A N 0.876 123.971 122.820 0.458 0.000 2.374 287 A HA 0.819 5.140 4.320 0.002 0.000 0.305 287 A C -1.810 176.132 177.584 0.597 0.000 1.053 287 A CA -0.681 51.640 52.037 0.473 0.000 0.726 287 A CB 1.414 20.619 19.000 0.342 0.000 1.229 287 A HN 0.504 nan 8.150 nan 0.000 0.431 288 V N 2.775 123.025 119.914 0.560 0.000 2.540 288 V HA 0.343 4.464 4.120 0.002 0.000 0.302 288 V C -0.321 175.764 176.094 -0.014 0.000 1.035 288 V CA -0.923 61.556 62.300 0.299 0.000 0.873 288 V CB 1.939 33.898 31.823 0.226 0.000 0.992 288 V HN 0.908 nan 8.190 nan 0.000 0.428 289 N N 6.904 125.233 118.700 -0.618 0.000 2.408 289 N HA 0.279 5.020 4.740 0.002 0.000 0.257 289 N C -1.555 173.666 175.510 -0.482 0.000 1.064 289 N CA -2.033 50.290 53.050 -1.212 0.000 0.952 289 N CB 1.915 39.370 38.487 -1.719 0.000 1.093 289 N HN 0.266 nan 8.380 nan 0.000 0.490 290 P HA -0.105 nan 4.420 nan 0.000 0.221 290 P C 0.522 177.747 177.300 -0.126 0.000 1.145 290 P CA 1.303 64.338 63.100 -0.109 0.000 0.795 290 P CB 0.457 32.162 31.700 0.008 0.000 0.775 291 K N -0.295 119.996 120.400 -0.182 0.000 2.228 291 K HA -0.040 4.281 4.320 0.002 0.000 0.202 291 K C 0.854 177.377 176.600 -0.128 0.000 1.051 291 K CA 1.381 57.587 56.287 -0.135 0.000 0.960 291 K CB -0.118 32.312 32.500 -0.117 0.000 0.743 291 K HN 0.275 nan 8.250 nan 0.000 0.458 292 N N -2.499 116.099 118.700 -0.170 0.000 2.110 292 N HA 0.095 4.836 4.740 0.002 0.000 0.230 292 N C 0.519 175.953 175.510 -0.127 0.000 1.353 292 N CA 0.285 53.259 53.050 -0.127 0.000 0.807 292 N CB 0.714 39.132 38.487 -0.115 0.000 1.244 292 N HN 0.060 nan 8.380 nan 0.000 0.504 293 G N 1.018 109.727 108.800 -0.151 0.000 2.168 293 G HA2 -0.416 3.545 3.960 0.002 0.000 0.263 293 G HA3 -0.416 3.545 3.960 0.002 0.000 0.263 293 G C 0.046 174.880 174.900 -0.111 0.000 0.977 293 G CA 0.340 45.366 45.100 -0.124 0.000 0.659 293 G HN 0.668 nan 8.290 nan 0.000 0.533 294 R N -0.094 120.320 120.500 -0.143 0.000 2.480 294 R HA 0.318 4.659 4.340 0.002 0.000 0.303 294 R C 0.056 176.386 176.300 0.049 0.000 0.985 294 R CA -0.284 55.782 56.100 -0.057 0.000 1.051 294 R CB 0.011 30.273 30.300 -0.064 0.000 0.935 294 R HN 0.308 nan 8.270 nan 0.000 0.410 295 L N 6.749 128.035 121.223 0.104 0.000 2.275 295 L HA 0.440 4.781 4.340 0.002 0.000 0.288 295 L C -0.787 176.248 176.870 0.274 0.000 1.046 295 L CA -0.079 54.865 54.840 0.173 0.000 0.805 295 L CB 1.147 43.235 42.059 0.049 0.000 1.193 295 L HN 0.597 nan 8.230 nan 0.000 0.426 296 I N 5.435 126.229 120.570 0.373 0.000 2.465 296 I HA 0.320 4.491 4.170 0.002 0.000 0.291 296 I C -0.699 175.587 176.117 0.282 0.000 1.014 296 I CA -1.034 60.441 61.300 0.291 0.000 1.093 296 I CB 2.149 40.283 38.000 0.222 0.000 1.267 296 I HN 0.229 nan 8.210 nan 0.000 0.431 297 V N 6.698 126.721 119.914 0.181 0.000 2.455 297 V HA 0.129 4.250 4.120 0.002 0.000 0.273 297 V C 1.094 177.198 176.094 0.017 0.000 1.045 297 V CA -0.136 62.177 62.300 0.021 0.000 0.976 297 V CB 1.086 32.921 31.823 0.020 0.000 0.993 297 V HN 0.584 nan 8.190 nan 0.000 0.475 298 I N 3.059 123.571 120.570 -0.096 0.000 2.512 298 I HA 0.187 4.358 4.170 0.002 0.000 0.247 298 I C 1.022 177.063 176.117 -0.126 0.000 1.094 298 I CA 1.050 62.305 61.300 -0.074 0.000 1.427 298 I CB -0.174 37.764 38.000 -0.103 0.000 1.149 298 I HN 0.992 nan 8.210 nan 0.000 0.438 299 E N 0.832 120.870 120.200 -0.271 0.000 2.435 299 E HA 0.502 4.853 4.350 0.002 0.000 0.277 299 E C -0.913 175.380 176.600 -0.512 0.000 1.106 299 E CA -0.907 55.126 56.400 -0.612 0.000 0.868 299 E CB 1.721 31.118 29.700 -0.506 0.000 1.454 299 E HN 0.038 nan 8.360 nan 0.000 0.452 300 M N 0.723 119.928 119.600 -0.659 0.000 2.365 300 M HA 0.573 5.053 4.480 0.002 0.000 0.287 300 M C -2.208 173.927 176.300 -0.275 0.000 1.154 300 M CA -0.466 54.641 55.300 -0.322 0.000 0.941 300 M CB 2.409 34.956 32.600 -0.087 0.000 1.704 300 M HN 0.379 nan 8.290 nan 0.000 0.479 301 N N 4.315 122.926 118.700 -0.148 0.000 2.476 301 N HA 0.407 5.148 4.740 0.002 0.000 0.257 301 N C -2.638 172.841 175.510 -0.051 0.000 0.970 301 N CA -1.226 51.761 53.050 -0.105 0.000 0.938 301 N CB 1.801 40.253 38.487 -0.059 0.000 1.144 301 N HN 0.564 nan 8.380 nan 0.000 0.500 302 P HA 0.069 nan 4.420 nan 0.000 0.228 302 P C -0.424 176.875 177.300 -0.002 0.000 1.748 302 P CA 0.281 63.369 63.100 -0.020 0.000 0.909 302 P CB -0.175 31.509 31.700 -0.028 0.000 1.882 303 R N -2.067 118.443 120.500 0.017 0.000 2.944 303 R HA 0.482 4.823 4.340 0.002 0.000 0.270 303 R C -0.781 175.569 176.300 0.083 0.000 0.989 303 R CA -1.063 55.060 56.100 0.039 0.000 0.853 303 R CB -0.123 30.186 30.300 0.016 0.000 1.430 303 R HN -0.161 nan 8.270 nan 0.000 0.450 304 V N -0.252 119.741 119.914 0.131 0.000 3.003 304 V HA 0.760 4.881 4.120 0.002 0.000 0.305 304 V C 0.133 176.410 176.094 0.306 0.000 1.078 304 V CA 0.226 62.640 62.300 0.191 0.000 1.083 304 V CB 1.150 33.095 31.823 0.202 0.000 1.039 304 V HN 0.998 nan 8.190 nan 0.000 0.481 305 S N 2.215 118.065 115.700 0.250 0.000 2.840 305 S HA 0.493 4.964 4.470 0.002 0.000 0.307 305 S C 0.691 175.303 174.600 0.020 0.000 1.180 305 S CA -0.495 57.847 58.200 0.236 0.000 0.846 305 S CB 1.576 64.865 63.200 0.148 0.000 1.233 305 S HN 1.047 nan 8.310 nan 0.000 0.548 306 R N 0.167 120.658 120.500 -0.016 0.000 2.189 306 R HA 0.163 4.503 4.340 0.002 0.000 0.218 306 R C 1.419 177.704 176.300 -0.024 0.000 1.074 306 R CA 1.455 57.492 56.100 -0.105 0.000 0.991 306 R CB -0.708 29.538 30.300 -0.091 0.000 0.883 306 R HN 0.408 nan 8.270 nan 0.000 0.457 307 S N 1.032 116.749 115.700 0.028 0.000 2.414 307 S HA -0.087 4.384 4.470 0.002 0.000 0.227 307 S C 1.927 176.560 174.600 0.055 0.000 1.022 307 S CA 1.148 59.374 58.200 0.043 0.000 0.958 307 S CB 0.112 63.343 63.200 0.052 0.000 0.797 307 S HN 0.636 nan 8.310 nan 0.000 0.493 308 S N 1.826 117.568 115.700 0.071 0.000 2.406 308 S HA 0.126 4.597 4.470 0.002 0.000 0.228 308 S C 1.957 176.640 174.600 0.138 0.000 1.020 308 S CA 0.791 59.052 58.200 0.101 0.000 0.965 308 S CB -0.310 62.959 63.200 0.115 0.000 0.798 308 S HN 0.434 nan 8.310 nan 0.000 0.488 309 A N 1.894 124.781 122.820 0.111 0.000 1.897 309 A HA 0.170 4.491 4.320 0.002 0.000 0.215 309 A C 2.221 179.818 177.584 0.021 0.000 1.181 309 A CA 1.378 53.482 52.037 0.111 0.000 0.620 309 A CB -0.951 18.039 19.000 -0.017 0.000 0.821 309 A HN 0.592 nan 8.150 nan 0.000 0.443 310 L N -0.071 121.156 121.223 0.008 0.000 2.012 310 L HA -0.103 4.238 4.340 0.002 0.000 0.210 310 L C 2.599 179.492 176.870 0.038 0.000 1.073 310 L CA 2.360 57.204 54.840 0.007 0.000 0.748 310 L CB -0.609 41.457 42.059 0.011 0.000 0.891 310 L HN 0.322 nan 8.230 nan 0.000 0.431 311 A N -1.391 121.468 122.820 0.065 0.000 1.933 311 A HA -0.175 4.146 4.320 0.002 0.000 0.218 311 A C 2.380 180.046 177.584 0.136 0.000 1.175 311 A CA 1.957 54.043 52.037 0.082 0.000 0.628 311 A CB -0.911 18.128 19.000 0.064 0.000 0.814 311 A HN 0.558 nan 8.150 nan 0.000 0.444 312 S N -0.251 115.560 115.700 0.185 0.000 2.368 312 S HA -0.102 4.369 4.470 0.002 0.000 0.224 312 S C 2.037 176.804 174.600 0.278 0.000 1.029 312 S CA 1.364 59.737 58.200 0.289 0.000 0.988 312 S CB -0.162 63.263 63.200 0.374 0.000 0.838 312 S HN 0.455 nan 8.310 nan 0.000 0.462 313 K N 2.146 122.645 120.400 0.165 0.000 2.057 313 K HA 0.141 4.462 4.320 0.002 0.000 0.207 313 K C 2.225 178.898 176.600 0.123 0.000 1.049 313 K CA 1.322 57.698 56.287 0.148 0.000 0.931 313 K CB -1.100 31.387 32.500 -0.021 0.000 0.714 313 K HN 0.345 nan 8.250 nan 0.000 0.440 314 A N 0.842 123.695 122.820 0.054 0.000 1.933 314 A HA -0.145 4.176 4.320 0.002 0.000 0.218 314 A C 2.187 179.876 177.584 0.175 0.000 1.175 314 A CA 2.497 54.567 52.037 0.055 0.000 0.628 314 A CB -0.728 18.309 19.000 0.062 0.000 0.814 314 A HN 0.513 nan 8.150 nan 0.000 0.444 315 T N -5.623 109.054 114.554 0.205 0.000 3.023 315 T HA 0.429 4.780 4.350 0.002 0.000 0.249 315 T C 1.479 176.368 174.700 0.315 0.000 1.050 315 T CA 1.118 63.362 62.100 0.239 0.000 1.088 315 T CB 0.331 69.323 68.868 0.206 0.000 0.946 315 T HN 1.668 nan 8.240 nan 0.000 0.480 316 G N 1.122 110.157 108.800 0.391 0.000 2.176 316 G HA2 -0.194 3.767 3.960 0.002 0.000 0.232 316 G HA3 -0.194 3.767 3.960 0.002 0.000 0.232 316 G C -0.215 174.964 174.900 0.465 0.000 0.986 316 G CA -0.133 45.245 45.100 0.464 0.000 0.643 316 G HN 0.590 nan 8.290 nan 0.000 0.522 317 F N 3.832 123.950 119.950 0.281 0.000 2.375 317 F HA 0.577 5.105 4.527 0.002 0.000 0.362 317 F C -1.842 174.100 175.800 0.236 0.000 1.129 317 F CA -3.152 54.989 58.000 0.235 0.000 1.154 317 F CB 1.454 40.524 39.000 0.118 0.000 1.205 317 F HN -0.066 nan 8.300 nan 0.000 0.513 318 P HA 0.091 nan 4.420 nan 0.000 0.249 318 P C 1.277 178.733 177.300 0.259 0.000 1.737 318 P CA 0.371 63.616 63.100 0.242 0.000 1.128 318 P CB -0.118 31.652 31.700 0.118 0.000 1.942 319 I N 1.905 122.730 120.570 0.424 0.000 2.087 319 I HA -0.361 3.810 4.170 0.002 0.000 0.240 319 I C 2.335 178.570 176.117 0.197 0.000 1.054 319 I CA 2.135 63.657 61.300 0.370 0.000 1.311 319 I CB -0.958 37.196 38.000 0.257 0.000 1.024 319 I HN 0.193 nan 8.210 nan 0.000 0.402 320 A N 0.338 123.217 122.820 0.098 0.000 1.933 320 A HA -0.240 4.081 4.320 0.002 0.000 0.218 320 A C 2.336 179.915 177.584 -0.007 0.000 1.175 320 A CA 1.817 53.865 52.037 0.019 0.000 0.628 320 A CB -0.503 18.456 19.000 -0.068 0.000 0.814 320 A HN 0.351 nan 8.150 nan 0.000 0.444 321 K N -0.681 119.701 120.400 -0.030 0.000 2.057 321 K HA -0.061 4.260 4.320 0.002 0.000 0.207 321 K C 1.910 178.502 176.600 -0.014 0.000 1.049 321 K CA 1.403 57.664 56.287 -0.043 0.000 0.931 321 K CB -0.285 32.182 32.500 -0.055 0.000 0.714 321 K HN 0.281 nan 8.250 nan 0.000 0.440 322 V N 0.992 120.922 119.914 0.027 0.000 2.270 322 V HA -0.257 3.864 4.120 0.002 0.000 0.245 322 V C 2.256 178.397 176.094 0.079 0.000 1.043 322 V CA 2.075 64.408 62.300 0.055 0.000 1.014 322 V CB -0.582 31.319 31.823 0.131 0.000 0.645 322 V HN 0.401 nan 8.190 nan 0.000 0.447 323 A N -0.115 122.763 122.820 0.098 0.000 1.940 323 A HA -0.172 4.149 4.320 0.002 0.000 0.219 323 A C 2.394 180.007 177.584 0.049 0.000 1.176 323 A CA 2.223 54.308 52.037 0.080 0.000 0.631 323 A CB -0.785 18.262 19.000 0.077 0.000 0.814 323 A HN 0.600 nan 8.150 nan 0.000 0.446 324 A N -0.359 122.475 122.820 0.024 0.000 1.933 324 A HA -0.148 4.173 4.320 0.002 0.000 0.218 324 A C 2.105 179.697 177.584 0.013 0.000 1.175 324 A CA 1.763 53.800 52.037 0.001 0.000 0.628 324 A CB -0.378 18.611 19.000 -0.020 0.000 0.814 324 A HN 0.556 nan 8.150 nan 0.000 0.444 325 K N -0.941 119.474 120.400 0.025 0.000 2.148 325 K HA -0.016 4.305 4.320 0.002 0.000 0.204 325 K C 1.552 178.285 176.600 0.221 0.000 1.050 325 K CA 0.913 57.245 56.287 0.074 0.000 0.942 325 K CB -0.226 32.193 32.500 -0.135 0.000 0.724 325 K HN 0.290 nan 8.250 nan 0.000 0.446 326 L N 0.637 121.947 121.223 0.145 0.000 2.217 326 L HA -0.040 4.301 4.340 0.002 0.000 0.211 326 L C 2.200 179.130 176.870 0.101 0.000 1.107 326 L CA 1.274 56.206 54.840 0.152 0.000 0.783 326 L CB -0.823 41.304 42.059 0.112 0.000 0.919 326 L HN 0.098 nan 8.230 nan 0.000 0.442 327 A N -0.560 122.298 122.820 0.063 0.000 2.070 327 A HA -0.090 4.231 4.320 0.002 0.000 0.220 327 A C 1.662 179.241 177.584 -0.008 0.000 1.159 327 A CA 1.500 53.548 52.037 0.017 0.000 0.656 327 A CB -0.672 18.322 19.000 -0.009 0.000 0.800 327 A HN 0.297 nan 8.150 nan 0.000 0.453 328 V N -4.425 115.496 119.914 0.011 0.000 3.039 328 V HA 0.625 4.746 4.120 0.002 0.000 0.369 328 V C 1.008 177.096 176.094 -0.009 0.000 1.344 328 V CA 0.431 62.711 62.300 -0.032 0.000 1.270 328 V CB -0.882 30.842 31.823 -0.165 0.000 1.284 328 V HN 1.305 nan 8.190 nan 0.000 0.518 329 G N -0.387 108.416 108.800 0.004 0.000 2.241 329 G HA2 -0.310 3.651 3.960 0.002 0.000 0.244 329 G HA3 -0.310 3.651 3.960 0.002 0.000 0.244 329 G C -0.033 174.825 174.900 -0.069 0.000 0.998 329 G CA 0.231 45.301 45.100 -0.051 0.000 0.621 329 G HN 0.606 nan 8.290 nan 0.000 0.519 330 Y N 2.189 122.517 120.300 0.047 0.000 2.426 330 Y HA 0.421 4.972 4.550 0.002 0.000 0.344 330 Y C 1.523 177.452 175.900 0.049 0.000 1.256 330 Y CA 1.044 59.175 58.100 0.051 0.000 1.451 330 Y CB 0.808 39.301 38.460 0.055 0.000 1.342 330 Y HN 0.306 nan 8.280 nan 0.000 0.600 331 T N -0.862 113.834 114.554 0.237 0.000 2.912 331 T HA 0.374 4.725 4.350 0.002 0.000 0.288 331 T C 0.773 175.569 174.700 0.160 0.000 1.030 331 T CA -0.939 61.254 62.100 0.155 0.000 1.020 331 T CB 1.109 70.042 68.868 0.107 0.000 1.056 331 T HN 0.654 nan 8.240 nan 0.000 0.480 332 L N 1.019 122.325 121.223 0.138 0.000 2.043 332 L HA -0.137 4.204 4.340 0.002 0.000 0.212 332 L C 2.546 179.496 176.870 0.134 0.000 1.075 332 L CA 1.960 56.887 54.840 0.146 0.000 0.752 332 L CB -0.605 41.548 42.059 0.156 0.000 0.891 332 L HN 0.833 nan 8.230 nan 0.000 0.432 333 D N -0.459 120.011 120.400 0.117 0.000 2.263 333 D HA -0.213 4.428 4.640 0.002 0.000 0.208 333 D C 1.596 177.947 176.300 0.086 0.000 0.971 333 D CA 1.071 55.129 54.000 0.097 0.000 0.867 333 D CB -0.289 40.559 40.800 0.081 0.000 0.929 333 D HN 0.464 nan 8.370 nan 0.000 0.492 334 E N -0.133 120.133 120.200 0.110 0.000 2.230 334 E HA 0.122 4.473 4.350 0.002 0.000 0.192 334 E C 0.584 177.234 176.600 0.083 0.000 0.987 334 E CA 0.001 56.474 56.400 0.122 0.000 0.841 334 E CB 0.260 30.088 29.700 0.212 0.000 0.783 334 E HN 0.316 nan 8.360 nan 0.000 0.481 335 L N 1.372 122.630 121.223 0.058 0.000 2.418 335 L HA 0.223 4.564 4.340 0.002 0.000 0.265 335 L C 0.328 177.189 176.870 -0.015 0.000 1.143 335 L CA -0.572 54.257 54.840 -0.017 0.000 0.809 335 L CB 0.476 42.506 42.059 -0.048 0.000 1.124 335 L HN 0.005 nan 8.230 nan 0.000 0.456 336 M N 1.518 121.088 119.600 -0.050 0.000 2.471 336 M HA 0.238 4.719 4.480 0.002 0.000 0.309 336 M C -0.292 175.963 176.300 -0.075 0.000 1.186 336 M CA -0.706 54.558 55.300 -0.060 0.000 1.008 336 M CB 0.904 33.465 32.600 -0.065 0.000 1.551 336 M HN 0.414 nan 8.290 nan 0.000 0.477 337 N N 1.352 119.995 118.700 -0.096 0.000 2.408 337 N HA 0.072 4.813 4.740 0.002 0.000 0.257 337 N C 0.330 175.783 175.510 -0.095 0.000 1.064 337 N CA 0.150 53.144 53.050 -0.094 0.000 0.952 337 N CB 0.580 38.996 38.487 -0.118 0.000 1.093 337 N HN 0.379 nan 8.380 nan 0.000 0.490 338 D N 2.755 123.110 120.400 -0.076 0.000 2.205 338 D HA -0.241 4.400 4.640 0.002 0.000 0.190 338 D C 1.740 177.958 176.300 -0.136 0.000 1.002 338 D CA 1.870 55.841 54.000 -0.048 0.000 0.848 338 D CB -0.195 40.659 40.800 0.091 0.000 0.975 338 D HN 0.789 nan 8.370 nan 0.000 0.449 339 I N -0.593 119.846 120.570 -0.218 0.000 2.756 339 I HA -0.098 4.073 4.170 0.002 0.000 0.262 339 I C 1.159 177.210 176.117 -0.110 0.000 1.225 339 I CA 1.370 62.524 61.300 -0.244 0.000 1.472 339 I CB -0.723 37.095 38.000 -0.304 0.000 1.094 339 I HN -0.085 nan 8.210 nan 0.000 0.454 340 T N -1.230 113.270 114.554 -0.089 0.000 3.366 340 T HA 0.451 4.802 4.350 0.002 0.000 0.249 340 T C 1.361 176.011 174.700 -0.084 0.000 1.028 340 T CA 0.128 62.184 62.100 -0.073 0.000 0.938 340 T CB -0.397 68.390 68.868 -0.135 0.000 1.046 340 T HN 0.702 nan 8.240 nan 0.000 0.587 341 G N 0.789 109.544 108.800 -0.075 0.000 2.179 341 G HA2 0.003 3.964 3.960 0.002 0.000 0.257 341 G HA3 0.003 3.964 3.960 0.002 0.000 0.257 341 G C 1.119 175.977 174.900 -0.069 0.000 1.010 341 G CA 0.236 45.300 45.100 -0.060 0.000 0.736 341 G HN 1.773 nan 8.290 nan 0.000 0.513 342 G N -1.222 107.524 108.800 -0.089 0.000 2.189 342 G HA2 -0.369 3.592 3.960 0.002 0.000 0.267 342 G HA3 -0.369 3.592 3.960 0.002 0.000 0.267 342 G C 1.147 175.979 174.900 -0.113 0.000 0.975 342 G CA 1.268 46.314 45.100 -0.089 0.000 0.644 342 G HN 0.991 nan 8.290 nan 0.000 0.537 343 R N 0.445 120.861 120.500 -0.140 0.000 2.148 343 R HA 0.171 4.512 4.340 0.002 0.000 0.227 343 R C 1.903 178.047 176.300 -0.260 0.000 1.103 343 R CA 1.700 57.698 56.100 -0.171 0.000 0.983 343 R CB -0.114 30.091 30.300 -0.158 0.000 0.874 343 R HN 0.720 nan 8.270 nan 0.000 0.451 344 T N -2.397 111.958 114.554 -0.333 0.000 2.924 344 T HA 0.571 4.922 4.350 0.002 0.000 0.291 344 T C -2.767 171.779 174.700 -0.257 0.000 1.045 344 T CA -2.579 59.276 62.100 -0.409 0.000 1.015 344 T CB 2.717 71.139 68.868 -0.743 0.000 1.103 344 T HN -0.235 nan 8.240 nan 0.000 0.496 345 P HA 0.378 nan 4.420 nan 0.000 0.277 345 P C 0.290 177.650 177.300 0.099 0.000 1.271 345 P CA -0.573 62.510 63.100 -0.028 0.000 0.795 345 P CB 0.644 32.363 31.700 0.031 0.000 1.101 346 A N 0.325 123.247 122.820 0.170 0.000 2.208 346 A HA 0.035 4.356 4.320 0.002 0.000 0.209 346 A C 1.133 179.013 177.584 0.494 0.000 1.161 346 A CA 0.496 52.722 52.037 0.315 0.000 0.782 346 A CB -1.160 17.904 19.000 0.108 0.000 0.816 346 A HN 0.558 nan 8.150 nan 0.000 0.477 347 S N 0.725 116.646 115.700 0.368 0.000 3.869 347 S HA 0.546 5.017 4.470 0.002 0.000 0.241 347 S C -0.312 174.523 174.600 0.391 0.000 1.363 347 S CA -0.586 57.793 58.200 0.299 0.000 0.894 347 S CB -1.373 61.938 63.200 0.184 0.000 1.519 347 S HN 0.742 nan 8.310 nan 0.000 0.470 348 F N -1.593 118.457 119.950 0.166 0.000 2.779 348 F HA 0.678 5.206 4.527 0.002 0.000 0.316 348 F C -1.266 174.611 175.800 0.129 0.000 1.164 348 F CA -1.266 56.816 58.000 0.135 0.000 0.924 348 F CB 0.910 39.990 39.000 0.133 0.000 1.348 348 F HN 0.117 nan 8.300 nan 0.000 0.467 349 E N 2.293 122.396 120.200 -0.162 0.000 2.145 349 E HA 0.388 4.739 4.350 0.002 0.000 0.270 349 E C -2.626 173.855 176.600 -0.199 0.000 0.906 349 E CA -2.019 54.216 56.400 -0.274 0.000 0.761 349 E CB 1.782 31.443 29.700 -0.065 0.000 1.116 349 E HN 0.296 nan 8.360 nan 0.000 0.408 350 P HA -0.008 nan 4.420 nan 0.000 0.269 350 P C -0.788 176.554 177.300 0.069 0.000 1.209 350 P CA -0.041 63.082 63.100 0.037 0.000 0.776 350 P CB 0.767 32.482 31.700 0.025 0.000 0.876 351 S N 1.878 117.651 115.700 0.123 0.000 2.557 351 S HA 0.725 5.196 4.470 0.002 0.000 0.291 351 S C -0.630 173.932 174.600 -0.064 0.000 1.116 351 S CA -0.796 57.410 58.200 0.010 0.000 0.992 351 S CB -0.037 63.173 63.200 0.016 0.000 1.028 351 S HN 0.364 nan 8.310 nan 0.000 0.484 352 I N 1.800 122.245 120.570 -0.208 0.000 2.569 352 I HA 0.662 4.833 4.170 0.002 0.000 0.296 352 I C -0.698 175.122 176.117 -0.496 0.000 1.028 352 I CA -0.917 60.088 61.300 -0.492 0.000 1.082 352 I CB 2.200 39.706 38.000 -0.823 0.000 1.264 352 I HN 0.521 nan 8.210 nan 0.000 0.429 353 D N 5.093 125.189 120.400 -0.507 0.000 2.894 353 D HA 0.260 4.900 4.640 0.002 0.000 0.248 353 D C -0.517 175.757 176.300 -0.043 0.000 1.291 353 D CA -0.095 53.793 54.000 -0.187 0.000 0.840 353 D CB -0.434 40.362 40.800 -0.007 0.000 1.044 353 D HN 0.749 nan 8.370 nan 0.000 0.484 354 Y N -3.691 116.611 120.300 0.003 0.000 2.871 354 Y HA 0.652 5.203 4.550 0.002 0.000 0.331 354 Y C -1.582 174.293 175.900 -0.043 0.000 1.378 354 Y CA -1.731 56.350 58.100 -0.030 0.000 1.079 354 Y CB 0.787 39.145 38.460 -0.170 0.000 1.441 354 Y HN -0.224 nan 8.280 nan 0.000 0.446 355 V N 1.921 121.988 119.914 0.255 0.000 2.540 355 V HA 0.582 4.703 4.120 0.002 0.000 0.302 355 V C -0.820 175.361 176.094 0.145 0.000 1.035 355 V CA -0.856 61.554 62.300 0.184 0.000 0.873 355 V CB 1.576 33.511 31.823 0.186 0.000 0.992 355 V HN 0.635 nan 8.190 nan 0.000 0.428 356 V N 3.712 123.705 119.914 0.133 0.000 2.398 356 V HA 0.546 4.667 4.120 0.002 0.000 0.286 356 V C 0.202 176.327 176.094 0.052 0.000 1.026 356 V CA -0.186 62.142 62.300 0.047 0.000 0.868 356 V CB 1.912 33.758 31.823 0.037 0.000 0.982 356 V HN 0.969 nan 8.190 nan 0.000 0.443 357 T N 5.361 119.926 114.554 0.018 0.000 2.824 357 T HA 0.434 4.785 4.350 0.002 0.000 0.282 357 T C -0.480 174.219 174.700 -0.002 0.000 0.993 357 T CA -0.660 61.449 62.100 0.015 0.000 0.967 357 T CB 1.461 70.328 68.868 -0.002 0.000 0.960 357 T HN 0.653 nan 8.240 nan 0.000 0.441 358 K N 3.894 124.289 120.400 -0.008 0.000 2.270 358 K HA 0.633 4.954 4.320 0.002 0.000 0.255 358 K C -1.397 175.179 176.600 -0.040 0.000 0.936 358 K CA -0.707 55.576 56.287 -0.007 0.000 0.809 358 K CB 1.104 33.608 32.500 0.006 0.000 1.131 358 K HN 0.598 nan 8.250 nan 0.000 0.427 359 I N 5.697 126.243 120.570 -0.040 0.000 2.498 359 I HA 0.337 4.508 4.170 0.002 0.000 0.290 359 I C -2.280 173.811 176.117 -0.043 0.000 1.032 359 I CA -2.670 58.597 61.300 -0.055 0.000 1.073 359 I CB 2.259 40.210 38.000 -0.083 0.000 1.251 359 I HN 0.504 nan 8.210 nan 0.000 0.426 360 P HA 0.263 nan 4.420 nan 0.000 0.276 360 P C -1.016 176.129 177.300 -0.258 0.000 1.244 360 P CA -0.632 62.344 63.100 -0.207 0.000 0.801 360 P CB 0.762 32.256 31.700 -0.343 0.000 1.006 361 R N 1.455 121.726 120.500 -0.382 0.000 2.387 361 R HA 0.592 4.933 4.340 0.002 0.000 0.314 361 R C -1.166 174.864 176.300 -0.449 0.000 0.958 361 R CA -0.538 55.417 56.100 -0.242 0.000 0.846 361 R CB -0.352 29.876 30.300 -0.120 0.000 1.147 361 R HN 0.285 nan 8.270 nan 0.000 0.447 362 F N 1.591 121.543 119.950 0.003 0.000 2.525 362 F HA 0.474 5.002 4.527 0.002 0.000 0.346 362 F C 0.873 176.607 175.800 -0.111 0.000 1.072 362 F CA -0.658 57.273 58.000 -0.116 0.000 1.033 362 F CB 1.526 40.449 39.000 -0.129 0.000 1.324 362 F HN 0.557 nan 8.300 nan 0.000 0.491 363 N N -0.730 117.967 118.700 -0.005 0.000 2.527 363 N HA 0.166 4.907 4.740 0.002 0.000 0.279 363 N C 0.240 175.798 175.510 0.080 0.000 1.571 363 N CA 0.047 53.125 53.050 0.046 0.000 0.858 363 N CB 0.142 38.690 38.487 0.101 0.000 1.422 363 N HN 0.321 nan 8.380 nan 0.000 0.491 364 F N 1.800 121.871 119.950 0.200 0.000 2.307 364 F HA -0.169 4.359 4.527 0.002 0.000 0.301 364 F C 2.693 178.495 175.800 0.003 0.000 1.076 364 F CA 0.992 59.061 58.000 0.115 0.000 1.383 364 F CB 0.019 39.052 39.000 0.055 0.000 1.055 364 F HN 0.328 nan 8.300 nan 0.000 0.526 365 E N 1.048 121.327 120.200 0.132 0.000 2.338 365 E HA -0.199 4.152 4.350 0.002 0.000 0.197 365 E C 1.344 177.857 176.600 -0.145 0.000 1.007 365 E CA 1.085 57.487 56.400 0.004 0.000 0.849 365 E CB -0.596 29.100 29.700 -0.007 0.000 0.774 365 E HN 0.399 nan 8.360 nan 0.000 0.506 366 K N -0.068 120.126 120.400 -0.343 0.000 2.426 366 K HA 0.100 4.421 4.320 0.002 0.000 0.193 366 K C -0.262 175.631 176.600 -1.177 0.000 1.028 366 K CA 0.217 56.047 56.287 -0.762 0.000 1.047 366 K CB 0.175 32.079 32.500 -0.993 0.000 0.821 366 K HN 0.074 nan 8.250 nan 0.000 0.513 367 F N -0.122 119.770 119.950 -0.097 0.000 2.660 367 F HA 0.339 4.867 4.527 0.001 0.000 0.352 367 F C 1.005 176.771 175.800 -0.057 0.000 1.257 367 F CA -0.908 57.021 58.000 -0.118 0.000 1.200 367 F CB 0.603 39.337 39.000 -0.443 0.000 1.473 367 F HN -0.163 nan 8.300 nan 0.000 0.561 368 A N 1.635 124.488 122.820 0.056 0.000 1.869 368 A HA -0.151 4.170 4.320 0.002 0.000 0.218 368 A C 2.374 179.988 177.584 0.050 0.000 1.203 368 A CA 2.184 54.243 52.037 0.037 0.000 0.638 368 A CB -1.146 17.860 19.000 0.010 0.000 0.831 368 A HN 0.759 nan 8.150 nan 0.000 0.450 369 G N -1.173 107.670 108.800 0.072 0.000 2.956 369 G HA2 0.406 4.367 3.960 0.002 0.000 0.207 369 G HA3 0.406 4.367 3.960 0.002 0.000 0.207 369 G C 0.486 175.438 174.900 0.087 0.000 1.162 369 G CA 0.678 45.815 45.100 0.063 0.000 0.796 369 G HN 0.847 nan 8.290 nan 0.000 0.527 370 A N 0.232 123.121 122.820 0.114 0.000 2.286 370 A HA 0.495 4.816 4.320 0.002 0.000 0.286 370 A C 0.360 177.988 177.584 0.073 0.000 1.097 370 A CA -0.719 51.407 52.037 0.149 0.000 0.821 370 A CB 0.475 19.577 19.000 0.169 0.000 1.076 370 A HN 0.209 nan 8.150 nan 0.000 0.490 371 N N 1.074 119.840 118.700 0.111 0.000 2.420 371 N HA 0.011 4.752 4.740 0.002 0.000 0.262 371 N C -0.587 174.875 175.510 -0.080 0.000 1.144 371 N CA 0.041 53.101 53.050 0.017 0.000 0.952 371 N CB 0.895 39.415 38.487 0.055 0.000 1.081 371 N HN 0.600 nan 8.380 nan 0.000 0.480 372 D N 2.453 122.628 120.400 -0.375 0.000 2.342 372 D HA 0.054 4.695 4.640 0.002 0.000 0.221 372 D C -0.098 175.757 176.300 -0.742 0.000 1.101 372 D CA -0.072 53.297 54.000 -1.052 0.000 0.837 372 D CB 0.196 40.312 40.800 -1.140 0.000 0.938 372 D HN 0.209 nan 8.370 nan 0.000 0.508 373 R N 0.763 121.078 120.500 -0.308 0.000 2.410 373 R HA 0.400 4.741 4.340 0.002 0.000 0.288 373 R C 0.239 176.520 176.300 -0.031 0.000 1.051 373 R CA -0.673 55.328 56.100 -0.165 0.000 1.021 373 R CB 1.196 31.435 30.300 -0.101 0.000 1.032 373 R HN 0.185 nan 8.270 nan 0.000 0.481 374 L N 1.374 122.598 121.223 0.000 0.000 2.367 374 L HA 0.280 4.621 4.340 0.002 0.000 0.275 374 L C 1.203 178.142 176.870 0.116 0.000 1.129 374 L CA 0.179 55.078 54.840 0.099 0.000 0.839 374 L CB 0.842 42.964 42.059 0.105 0.000 1.133 374 L HN 0.630 nan 8.230 nan 0.000 0.453 375 T N -0.945 113.699 114.554 0.151 0.000 2.572 375 T HA 0.192 4.543 4.350 0.002 0.000 0.274 375 T C 0.962 175.753 174.700 0.152 0.000 0.949 375 T CA 0.378 62.561 62.100 0.138 0.000 1.126 375 T CB 1.261 70.201 68.868 0.121 0.000 1.478 375 T HN 0.719 nan 8.240 nan 0.000 0.492 376 T N -0.566 114.062 114.554 0.123 0.000 3.088 376 T HA 0.184 4.535 4.350 0.002 0.000 0.259 376 T C 0.728 175.525 174.700 0.161 0.000 1.122 376 T CA 0.359 62.549 62.100 0.149 0.000 1.095 376 T CB -0.096 68.825 68.868 0.089 0.000 0.930 376 T HN 0.497 nan 8.240 nan 0.000 0.508 377 Q N 1.162 121.011 119.800 0.081 0.000 2.278 377 Q HA 0.392 4.733 4.340 0.002 0.000 0.257 377 Q C -0.590 175.388 176.000 -0.036 0.000 0.928 377 Q CA -0.514 55.287 55.803 -0.005 0.000 0.932 377 Q CB 0.937 29.653 28.738 -0.037 0.000 1.221 377 Q HN 0.420 nan 8.270 nan 0.000 0.434 378 M N 3.698 123.182 119.600 -0.194 0.000 2.250 378 M HA -0.034 4.447 4.480 0.002 0.000 0.337 378 M C 0.508 176.766 176.300 -0.070 0.000 1.161 378 M CA 1.247 56.453 55.300 -0.156 0.000 1.088 378 M CB 0.501 32.913 32.600 -0.313 0.000 1.639 378 M HN 0.598 nan 8.290 nan 0.000 0.447 379 K N 0.155 120.609 120.400 0.090 0.000 2.529 379 K HA 0.111 4.432 4.320 0.002 0.000 0.215 379 K C 0.172 176.842 176.600 0.118 0.000 1.286 379 K CA -0.072 56.296 56.287 0.134 0.000 0.997 379 K CB 0.791 33.552 32.500 0.436 0.000 1.063 379 K HN 0.772 nan 8.250 nan 0.000 0.590 380 S N 0.665 116.357 115.700 -0.014 0.000 2.576 380 S HA 0.089 4.560 4.470 0.002 0.000 0.276 380 S C 1.155 175.610 174.600 -0.241 0.000 1.339 380 S CA -0.682 57.262 58.200 -0.425 0.000 1.039 380 S CB 1.387 64.047 63.200 -0.900 0.000 0.902 380 S HN 0.060 nan 8.310 nan 0.000 0.516 381 V N -0.659 119.118 119.914 -0.229 0.000 3.621 381 V HA 0.661 4.782 4.120 0.002 0.000 0.285 381 V C 0.893 176.915 176.094 -0.120 0.000 1.346 381 V CA 0.508 62.737 62.300 -0.118 0.000 1.104 381 V CB -1.060 30.734 31.823 -0.049 0.000 0.913 381 V HN 1.263 nan 8.190 nan 0.000 0.432 382 G N 0.435 109.130 108.800 -0.175 0.000 2.341 382 G HA2 0.574 4.535 3.960 0.002 0.000 0.299 382 G HA3 0.574 4.535 3.960 0.002 0.000 0.299 382 G C -1.701 173.106 174.900 -0.154 0.000 1.274 382 G CA -0.046 44.976 45.100 -0.131 0.000 0.853 382 G HN 0.705 nan 8.290 nan 0.000 0.493 383 E N -2.002 118.140 120.200 -0.098 0.000 2.401 383 E HA 0.611 4.962 4.350 0.002 0.000 0.280 383 E C -1.977 174.606 176.600 -0.028 0.000 1.039 383 E CA -0.956 55.398 56.400 -0.076 0.000 0.814 383 E CB 2.239 31.900 29.700 -0.065 0.000 1.275 383 E HN 0.927 nan 8.360 nan 0.000 0.448 384 V N 2.156 122.067 119.914 -0.006 0.000 2.919 384 V HA 0.752 4.873 4.120 0.002 0.000 0.316 384 V C -0.854 175.291 176.094 0.084 0.000 1.077 384 V CA -0.754 61.568 62.300 0.036 0.000 0.977 384 V CB 1.885 33.724 31.823 0.027 0.000 1.039 384 V HN 0.839 nan 8.190 nan 0.000 0.441 385 M N 4.929 124.649 119.600 0.200 0.000 2.501 385 M HA 0.874 5.355 4.480 0.002 0.000 0.293 385 M C -1.339 175.152 176.300 0.317 0.000 1.192 385 M CA -0.474 54.963 55.300 0.228 0.000 0.886 385 M CB 2.072 34.797 32.600 0.209 0.000 1.710 385 M HN 0.857 nan 8.290 nan 0.000 0.457 386 A N 4.155 127.054 122.820 0.131 0.000 2.498 386 A HA 0.875 5.195 4.320 0.002 0.000 0.298 386 A C -1.641 175.913 177.584 -0.050 0.000 1.075 386 A CA -0.759 51.344 52.037 0.111 0.000 0.714 386 A CB 1.573 20.618 19.000 0.076 0.000 1.299 386 A HN 0.868 nan 8.150 nan 0.000 0.407 387 I N 0.885 121.384 120.570 -0.118 0.000 2.465 387 I HA 0.683 4.854 4.170 0.002 0.000 0.291 387 I C 0.455 176.397 176.117 -0.293 0.000 1.014 387 I CA -0.461 60.591 61.300 -0.413 0.000 1.093 387 I CB 2.441 39.865 38.000 -0.959 0.000 1.267 387 I HN 0.827 nan 8.210 nan 0.000 0.431 388 G N 3.938 112.600 108.800 -0.230 0.000 2.704 388 G HA2 0.365 4.326 3.960 0.002 0.000 0.293 388 G HA3 0.365 4.326 3.960 0.002 0.000 0.293 388 G C 0.035 174.986 174.900 0.086 0.000 1.421 388 G CA -0.526 44.576 45.100 0.004 0.000 0.870 388 G HN 0.445 nan 8.290 nan 0.000 0.492 389 R N -0.746 119.873 120.500 0.199 0.000 2.189 389 R HA 0.042 4.383 4.340 0.002 0.000 0.218 389 R C 1.169 177.566 176.300 0.163 0.000 1.074 389 R CA 1.396 57.627 56.100 0.219 0.000 0.991 389 R CB -0.195 30.237 30.300 0.219 0.000 0.883 389 R HN 0.715 nan 8.270 nan 0.000 0.457 390 T N -3.700 110.936 114.554 0.137 0.000 2.907 390 T HA 0.231 4.582 4.350 0.002 0.000 0.290 390 T C 0.714 175.489 174.700 0.126 0.000 1.066 390 T CA -0.879 61.295 62.100 0.124 0.000 1.012 390 T CB 2.165 71.087 68.868 0.090 0.000 1.184 390 T HN -0.198 nan 8.240 nan 0.000 0.522 391 Q N 0.102 119.989 119.800 0.145 0.000 2.172 391 Q HA -0.022 4.319 4.340 0.002 0.000 0.200 391 Q C 2.186 178.246 176.000 0.099 0.000 0.964 391 Q CA 1.689 57.596 55.803 0.174 0.000 0.855 391 Q CB -0.380 28.511 28.738 0.254 0.000 0.918 391 Q HN 0.778 nan 8.270 nan 0.000 0.444 392 Q N -0.075 119.750 119.800 0.041 0.000 2.046 392 Q HA -0.205 4.136 4.340 0.002 0.000 0.200 392 Q C 1.979 177.971 176.000 -0.014 0.000 0.975 392 Q CA 1.640 57.444 55.803 0.001 0.000 0.836 392 Q CB -0.134 28.580 28.738 -0.040 0.000 0.896 392 Q HN 0.569 nan 8.270 nan 0.000 0.428 393 E N 0.081 120.288 120.200 0.013 0.000 2.058 393 E HA -0.220 4.131 4.350 0.002 0.000 0.194 393 E C 2.077 178.694 176.600 0.028 0.000 0.997 393 E CA 1.390 57.804 56.400 0.025 0.000 0.801 393 E CB -0.125 29.622 29.700 0.078 0.000 0.746 393 E HN 0.150 nan 8.360 nan 0.000 0.450 394 S N -0.211 115.516 115.700 0.043 0.000 2.359 394 S HA -0.177 4.293 4.470 0.002 0.000 0.224 394 S C 1.952 176.554 174.600 0.002 0.000 1.035 394 S CA 1.305 59.523 58.200 0.031 0.000 1.018 394 S CB -0.396 62.837 63.200 0.056 0.000 0.876 394 S HN 0.377 nan 8.310 nan 0.000 0.448 395 L N 1.829 123.050 121.223 -0.003 0.000 2.017 395 L HA -0.031 4.310 4.340 0.002 0.000 0.208 395 L C 2.478 179.262 176.870 -0.144 0.000 1.073 395 L CA 1.933 56.731 54.840 -0.070 0.000 0.745 395 L CB -1.014 41.032 42.059 -0.020 0.000 0.894 395 L HN 0.360 nan 8.230 nan 0.000 0.432 396 Q N -0.407 119.319 119.800 -0.124 0.000 2.124 396 Q HA -0.241 4.100 4.340 0.002 0.000 0.202 396 Q C 2.238 178.176 176.000 -0.104 0.000 0.977 396 Q CA 1.787 57.486 55.803 -0.174 0.000 0.850 396 Q CB -0.156 28.470 28.738 -0.188 0.000 0.901 396 Q HN 0.574 nan 8.270 nan 0.000 0.429 397 K N 0.296 120.672 120.400 -0.040 0.000 2.097 397 K HA -0.094 4.227 4.320 0.002 0.000 0.206 397 K C 2.063 178.667 176.600 0.006 0.000 1.049 397 K CA 1.060 57.354 56.287 0.012 0.000 0.933 397 K CB -0.094 32.441 32.500 0.059 0.000 0.717 397 K HN 0.118 nan 8.250 nan 0.000 0.442 398 A N 1.291 124.097 122.820 -0.024 0.000 1.930 398 A HA -0.100 4.221 4.320 0.002 0.000 0.217 398 A C 2.078 179.632 177.584 -0.051 0.000 1.175 398 A CA 1.043 53.066 52.037 -0.024 0.000 0.627 398 A CB -0.525 18.444 19.000 -0.051 0.000 0.815 398 A HN 0.141 nan 8.150 nan 0.000 0.443 399 L N -0.279 120.870 121.223 -0.123 0.000 2.012 399 L HA -0.239 4.102 4.340 0.002 0.000 0.210 399 L C 2.828 179.701 176.870 0.006 0.000 1.073 399 L CA 2.012 56.780 54.840 -0.120 0.000 0.748 399 L CB -0.464 41.409 42.059 -0.311 0.000 0.891 399 L HN 0.614 nan 8.230 nan 0.000 0.431 400 R N 0.114 120.609 120.500 -0.008 0.000 2.235 400 R HA -0.041 4.300 4.340 0.002 0.000 0.213 400 R C 1.748 178.067 176.300 0.032 0.000 1.059 400 R CA 1.199 57.315 56.100 0.027 0.000 0.997 400 R CB -0.434 29.883 30.300 0.029 0.000 0.884 400 R HN 0.260 nan 8.270 nan 0.000 0.462 401 G N 0.652 109.469 108.800 0.029 0.000 3.088 401 G HA2 -0.024 3.937 3.960 0.002 0.000 0.217 401 G HA3 -0.024 3.937 3.960 0.002 0.000 0.217 401 G C 1.023 175.938 174.900 0.024 0.000 1.159 401 G CA -0.358 44.759 45.100 0.028 0.000 0.760 401 G HN 0.212 nan 8.290 nan 0.000 0.550 402 L N 0.297 121.545 121.223 0.041 0.000 2.362 402 L HA 0.122 4.463 4.340 0.002 0.000 0.219 402 L C 1.048 177.942 176.870 0.040 0.000 1.134 402 L CA 0.910 55.782 54.840 0.054 0.000 0.807 402 L CB -0.144 41.985 42.059 0.115 0.000 0.927 402 L HN 0.190 nan 8.230 nan 0.000 0.447 403 E N -1.012 119.203 120.200 0.026 0.000 2.553 403 E HA -0.170 4.181 4.350 0.002 0.000 0.264 403 E C 0.707 177.307 176.600 -0.001 0.000 1.068 403 E CA 0.933 57.335 56.400 0.002 0.000 0.774 403 E CB -2.144 27.548 29.700 -0.014 0.000 1.349 403 E HN 0.463 nan 8.360 nan 0.000 0.404 404 V N -4.118 115.800 119.914 0.006 0.000 3.276 404 V HA 0.612 4.733 4.120 0.002 0.000 0.319 404 V C 1.317 177.361 176.094 -0.083 0.000 1.427 404 V CA 0.993 63.275 62.300 -0.030 0.000 1.102 404 V CB 0.706 32.524 31.823 -0.009 0.000 1.020 404 V HN 0.592 nan 8.190 nan 0.000 0.456 405 G N 0.220 108.988 108.800 -0.053 0.000 2.176 405 G HA2 -0.089 3.872 3.960 0.002 0.000 0.253 405 G HA3 -0.089 3.872 3.960 0.002 0.000 0.253 405 G C 0.455 175.320 174.900 -0.059 0.000 0.979 405 G CA 0.219 45.282 45.100 -0.061 0.000 0.641 405 G HN 1.710 nan 8.290 nan 0.000 0.530 406 A N 0.169 122.964 122.820 -0.042 0.000 2.371 406 A HA 0.723 5.044 4.320 0.002 0.000 0.257 406 A C 1.426 179.046 177.584 0.059 0.000 1.089 406 A CA 1.309 53.356 52.037 0.017 0.000 0.794 406 A CB 0.496 19.596 19.000 0.167 0.000 1.029 406 A HN 1.450 nan 8.150 nan 0.000 0.488 407 T N -1.253 113.347 114.554 0.077 0.000 3.044 407 T HA 0.541 4.892 4.350 0.002 0.000 0.260 407 T C 0.865 175.618 174.700 0.089 0.000 1.019 407 T CA 0.882 63.027 62.100 0.075 0.000 0.921 407 T CB -0.072 68.840 68.868 0.074 0.000 1.053 407 T HN 2.184 nan 8.240 nan 0.000 0.533 408 G N 1.363 110.222 108.800 0.098 0.000 2.384 408 G HA2 0.184 4.145 3.960 0.002 0.000 0.113 408 G HA3 0.184 4.145 3.960 0.002 0.000 0.113 408 G C -1.203 173.743 174.900 0.078 0.000 1.224 408 G CA -0.819 44.283 45.100 0.003 0.000 1.126 408 G HN 0.154 nan 8.290 nan 0.000 0.461 409 F N 3.678 123.755 119.950 0.211 0.000 2.783 409 F HA 0.267 4.795 4.527 0.002 0.000 0.338 409 F C 0.606 176.594 175.800 0.314 0.000 1.178 409 F CA -0.383 57.776 58.000 0.264 0.000 1.343 409 F CB -0.170 38.915 39.000 0.142 0.000 1.496 409 F HN 0.058 nan 8.300 nan 0.000 0.583 410 D N 2.895 123.547 120.400 0.420 0.000 2.443 410 D HA 0.031 4.671 4.640 0.002 0.000 0.239 410 D C -2.072 174.333 176.300 0.174 0.000 1.136 410 D CA -0.809 53.316 54.000 0.208 0.000 0.879 410 D CB 0.606 41.435 40.800 0.047 0.000 1.195 410 D HN 0.101 nan 8.370 nan 0.000 0.443 411 P HA 0.107 nan 4.420 nan 0.000 0.272 411 P C 0.161 177.417 177.300 -0.074 0.000 1.223 411 P CA -0.226 62.895 63.100 0.036 0.000 0.784 411 P CB 1.030 32.752 31.700 0.037 0.000 0.923 412 K N 0.828 121.136 120.400 -0.153 0.000 2.387 412 K HA 0.142 4.463 4.320 0.002 0.000 0.197 412 K C 0.344 176.885 176.600 -0.100 0.000 1.127 412 K CA 0.426 56.562 56.287 -0.251 0.000 0.950 412 K CB 0.313 32.380 32.500 -0.721 0.000 1.017 412 K HN 0.432 nan 8.250 nan 0.000 0.519 413 V N -1.936 117.957 119.914 -0.036 0.000 2.919 413 V HA 0.579 4.700 4.120 0.002 0.000 0.316 413 V C -0.117 175.998 176.094 0.034 0.000 1.077 413 V CA -1.148 61.179 62.300 0.045 0.000 0.977 413 V CB 1.691 33.586 31.823 0.119 0.000 1.039 413 V HN -0.035 nan 8.190 nan 0.000 0.441 414 S N 0.829 116.551 115.700 0.037 0.000 2.584 414 S HA 0.476 4.947 4.470 0.002 0.000 0.273 414 S C 0.865 175.487 174.600 0.037 0.000 1.311 414 S CA -0.581 57.638 58.200 0.031 0.000 1.034 414 S CB 0.706 63.921 63.200 0.025 0.000 0.939 414 S HN 0.759 nan 8.310 nan 0.000 0.513 415 L N 2.314 123.558 121.223 0.035 0.000 2.046 415 L HA -0.079 4.262 4.340 0.002 0.000 0.208 415 L C 1.134 178.024 176.870 0.032 0.000 1.077 415 L CA 1.436 56.298 54.840 0.037 0.000 0.747 415 L CB -0.382 41.698 42.059 0.035 0.000 0.896 415 L HN 0.733 nan 8.230 nan 0.000 0.432 416 D N -1.984 118.432 120.400 0.027 0.000 2.538 416 D HA 0.019 4.660 4.640 0.002 0.000 0.234 416 D C -0.060 176.253 176.300 0.022 0.000 1.191 416 D CA -0.222 53.791 54.000 0.023 0.000 0.828 416 D CB -0.338 40.473 40.800 0.019 0.000 0.981 416 D HN 0.054 nan 8.370 nan 0.000 0.490 417 D N 0.945 121.361 120.400 0.026 0.000 2.232 417 D HA 0.151 4.792 4.640 0.002 0.000 0.242 417 D C -1.370 174.945 176.300 0.025 0.000 1.093 417 D CA -2.449 51.566 54.000 0.025 0.000 0.845 417 D CB 1.991 42.810 40.800 0.031 0.000 1.124 417 D HN -0.159 nan 8.370 nan 0.000 0.467 418 P HA -0.067 nan 4.420 nan 0.000 0.220 418 P C 0.379 177.688 177.300 0.016 0.000 1.148 418 P CA 0.963 64.073 63.100 0.016 0.000 0.803 418 P CB 0.415 32.122 31.700 0.012 0.000 0.782 419 E N -0.990 119.220 120.200 0.017 0.000 2.481 419 E HA 0.224 4.575 4.350 0.002 0.000 0.198 419 E C 1.821 178.435 176.600 0.022 0.000 1.027 419 E CA -0.056 56.353 56.400 0.014 0.000 0.900 419 E CB 0.018 29.723 29.700 0.009 0.000 0.993 419 E HN 0.106 nan 8.360 nan 0.000 0.482 420 A N 1.468 124.308 122.820 0.034 0.000 1.873 420 A HA -0.225 4.096 4.320 0.002 0.000 0.218 420 A C 2.119 179.732 177.584 0.049 0.000 1.193 420 A CA 1.249 53.319 52.037 0.053 0.000 0.629 420 A CB -0.707 18.329 19.000 0.061 0.000 0.826 420 A HN 0.237 nan 8.150 nan 0.000 0.447 421 L N -0.847 120.397 121.223 0.034 0.000 2.129 421 L HA -0.200 4.141 4.340 0.002 0.000 0.212 421 L C 2.740 179.614 176.870 0.007 0.000 1.087 421 L CA 1.757 56.612 54.840 0.024 0.000 0.757 421 L CB -0.719 41.351 42.059 0.019 0.000 0.896 421 L HN 0.394 nan 8.230 nan 0.000 0.434 422 T N -0.689 113.866 114.554 0.002 0.000 2.857 422 T HA -0.133 4.218 4.350 0.002 0.000 0.266 422 T C 1.884 176.562 174.700 -0.036 0.000 1.048 422 T CA 1.123 63.214 62.100 -0.016 0.000 1.139 422 T CB 0.039 68.899 68.868 -0.014 0.000 0.874 422 T HN 0.330 nan 8.240 nan 0.000 0.455 423 K N 0.733 121.119 120.400 -0.024 0.000 2.062 423 K HA 0.107 4.428 4.320 0.002 0.000 0.205 423 K C 2.160 178.685 176.600 -0.125 0.000 1.051 423 K CA 0.982 57.232 56.287 -0.062 0.000 0.941 423 K CB -0.258 32.243 32.500 0.001 0.000 0.719 423 K HN 0.273 nan 8.250 nan 0.000 0.440 424 I N 1.139 121.697 120.570 -0.020 0.000 2.163 424 I HA -0.312 3.859 4.170 0.002 0.000 0.243 424 I C 2.764 178.834 176.117 -0.078 0.000 1.085 424 I CA 1.209 62.512 61.300 0.006 0.000 1.347 424 I CB -0.262 37.796 38.000 0.097 0.000 1.044 424 I HN 0.180 nan 8.210 nan 0.000 0.408 425 R N 0.938 121.403 120.500 -0.058 0.000 2.096 425 R HA -0.251 4.090 4.340 0.002 0.000 0.240 425 R C 2.596 178.837 176.300 -0.097 0.000 1.139 425 R CA 1.746 57.807 56.100 -0.065 0.000 0.952 425 R CB -0.333 29.939 30.300 -0.046 0.000 0.854 425 R HN 0.219 nan 8.270 nan 0.000 0.436 426 R N 0.770 121.197 120.500 -0.121 0.000 2.081 426 R HA -0.127 4.214 4.340 0.002 0.000 0.235 426 R C 1.614 177.805 176.300 -0.182 0.000 1.131 426 R CA 1.687 57.702 56.100 -0.141 0.000 0.960 426 R CB -0.323 29.892 30.300 -0.141 0.000 0.856 426 R HN 0.286 nan 8.270 nan 0.000 0.436 427 E N 0.590 120.625 120.200 -0.276 0.000 2.204 427 E HA -0.139 4.212 4.350 0.002 0.000 0.195 427 E C 1.979 178.482 176.600 -0.163 0.000 0.990 427 E CA 0.685 56.884 56.400 -0.336 0.000 0.821 427 E CB -0.065 29.156 29.700 -0.798 0.000 0.750 427 E HN 0.205 nan 8.360 nan 0.000 0.477 428 L N 0.830 121.982 121.223 -0.117 0.000 2.068 428 L HA -0.041 4.300 4.340 0.002 0.000 0.204 428 L C 2.384 179.213 176.870 -0.068 0.000 1.076 428 L CA 1.453 56.256 54.840 -0.062 0.000 0.753 428 L CB -0.620 41.403 42.059 -0.060 0.000 0.910 428 L HN -0.028 nan 8.230 nan 0.000 0.439 429 K N -0.560 119.790 120.400 -0.083 0.000 2.002 429 K HA -0.102 4.219 4.320 0.002 0.000 0.209 429 K C -0.201 176.351 176.600 -0.080 0.000 1.048 429 K CA 1.323 57.562 56.287 -0.080 0.000 0.930 429 K CB 0.130 32.581 32.500 -0.082 0.000 0.714 429 K HN 0.232 nan 8.250 nan 0.000 0.438 430 D N 0.922 121.264 120.400 -0.097 0.000 2.477 430 D HA 0.167 4.808 4.640 0.002 0.000 0.239 430 D C -1.151 175.095 176.300 -0.089 0.000 1.102 430 D CA -0.093 53.850 54.000 -0.095 0.000 0.901 430 D CB 1.336 42.062 40.800 -0.123 0.000 1.026 430 D HN 0.276 nan 8.370 nan 0.000 0.515 431 A N 1.847 124.637 122.820 -0.050 0.000 2.566 431 A HA 0.441 4.762 4.320 0.002 0.000 0.245 431 A C 0.900 178.450 177.584 -0.058 0.000 1.056 431 A CA 0.416 52.438 52.037 -0.026 0.000 0.757 431 A CB 0.386 19.401 19.000 0.025 0.000 0.979 431 A HN 0.536 nan 8.150 nan 0.000 0.508 432 G N -0.200 108.560 108.800 -0.066 0.000 3.075 432 G HA2 0.571 4.532 3.960 0.002 0.000 0.253 432 G HA3 0.571 4.532 3.960 0.002 0.000 0.253 432 G C 0.885 175.730 174.900 -0.092 0.000 1.353 432 G CA 0.099 45.119 45.100 -0.133 0.000 1.051 432 G HN 1.300 nan 8.290 nan 0.000 0.553 433 A N -0.931 121.807 122.820 -0.137 0.000 2.066 433 A HA 0.103 4.424 4.320 0.002 0.000 0.218 433 A C 1.439 179.191 177.584 0.280 0.000 1.157 433 A CA 1.722 53.698 52.037 -0.102 0.000 0.670 433 A CB -0.108 18.876 19.000 -0.027 0.000 0.804 433 A HN 0.378 nan 8.150 nan 0.000 0.453 434 D N -1.218 119.386 120.400 0.340 0.000 2.349 434 D HA 0.063 4.704 4.640 0.002 0.000 0.214 434 D C 1.671 178.357 176.300 0.643 0.000 1.063 434 D CA 0.018 54.394 54.000 0.627 0.000 0.847 434 D CB -0.118 41.010 40.800 0.548 0.000 0.933 434 D HN 0.490 nan 8.370 nan 0.000 0.513 435 R N 0.709 121.437 120.500 0.380 0.000 2.113 435 R HA -0.209 4.132 4.340 0.002 0.000 0.244 435 R C 2.002 178.472 176.300 0.283 0.000 1.142 435 R CA 1.196 57.483 56.100 0.312 0.000 0.953 435 R CB -0.370 30.036 30.300 0.176 0.000 0.860 435 R HN 0.078 nan 8.270 nan 0.000 0.438 436 I N 0.350 120.985 120.570 0.108 0.000 2.194 436 I HA -0.303 3.868 4.170 0.002 0.000 0.246 436 I C 1.636 177.751 176.117 -0.003 0.000 1.093 436 I CA 1.518 62.773 61.300 -0.075 0.000 1.355 436 I CB -0.316 37.386 38.000 -0.497 0.000 1.046 436 I HN 0.342 nan 8.210 nan 0.000 0.413 437 W N -0.867 120.552 121.300 0.198 0.000 2.418 437 W HA -0.166 4.495 4.660 0.002 0.000 0.292 437 W C 2.490 179.024 176.519 0.026 0.000 1.213 437 W CA 0.786 58.208 57.345 0.129 0.000 1.283 437 W CB -1.223 28.204 29.460 -0.055 0.000 1.119 437 W HN 0.196 nan 8.180 nan 0.000 0.542 438 Y N 0.294 120.774 120.300 0.301 0.000 2.497 438 Y HA -0.129 4.422 4.550 0.002 0.000 0.292 438 Y C 2.356 178.286 175.900 0.050 0.000 1.137 438 Y CA 0.908 59.100 58.100 0.153 0.000 1.285 438 Y CB -0.590 37.934 38.460 0.107 0.000 0.991 438 Y HN -0.155 nan 8.280 nan 0.000 0.556 439 I N -1.016 119.658 120.570 0.173 0.000 2.353 439 I HA -0.255 3.916 4.170 0.002 0.000 0.248 439 I C 2.502 178.539 176.117 -0.133 0.000 1.119 439 I CA 0.964 62.252 61.300 -0.019 0.000 1.417 439 I CB -0.354 37.691 38.000 0.074 0.000 1.078 439 I HN 0.175 nan 8.210 nan 0.000 0.421 440 A N 0.284 123.118 122.820 0.024 0.000 1.930 440 A HA -0.214 4.107 4.320 0.002 0.000 0.217 440 A C 1.923 179.552 177.584 0.076 0.000 1.175 440 A CA 1.782 53.839 52.037 0.033 0.000 0.627 440 A CB -0.494 18.500 19.000 -0.010 0.000 0.815 440 A HN 0.296 nan 8.150 nan 0.000 0.443 441 D N 0.155 120.600 120.400 0.075 0.000 2.144 441 D HA -0.054 4.586 4.640 0.002 0.000 0.199 441 D C 2.204 178.532 176.300 0.047 0.000 0.984 441 D CA 1.382 55.426 54.000 0.074 0.000 0.834 441 D CB -0.333 40.508 40.800 0.069 0.000 0.955 441 D HN 0.416 nan 8.370 nan 0.000 0.465 442 A N 0.188 122.984 122.820 -0.039 0.000 1.902 442 A HA -0.171 4.150 4.320 0.002 0.000 0.217 442 A C 1.923 179.449 177.584 -0.097 0.000 1.181 442 A CA 1.020 52.979 52.037 -0.129 0.000 0.623 442 A CB -0.855 17.978 19.000 -0.278 0.000 0.818 442 A HN 0.141 nan 8.150 nan 0.000 0.443 443 F N -0.386 119.588 119.950 0.039 0.000 2.259 443 F HA 0.020 4.548 4.527 0.002 0.000 0.298 443 F C 2.453 178.267 175.800 0.023 0.000 1.088 443 F CA 1.067 59.079 58.000 0.020 0.000 1.358 443 F CB -0.466 38.528 39.000 -0.009 0.000 1.040 443 F HN 0.112 nan 8.300 nan 0.000 0.505 444 R N -0.280 120.335 120.500 0.190 0.000 2.115 444 R HA 0.019 4.360 4.340 0.002 0.000 0.226 444 R C 2.131 178.489 176.300 0.097 0.000 1.100 444 R CA 0.965 57.141 56.100 0.127 0.000 0.980 444 R CB -0.425 29.937 30.300 0.104 0.000 0.875 444 R HN 0.194 nan 8.270 nan 0.000 0.445 445 A N -0.431 122.441 122.820 0.087 0.000 2.238 445 A HA 0.205 4.526 4.320 0.002 0.000 0.208 445 A C 1.290 178.915 177.584 0.068 0.000 1.177 445 A CA 0.855 52.932 52.037 0.067 0.000 0.804 445 A CB 0.037 19.071 19.000 0.056 0.000 0.823 445 A HN 0.448 nan 8.150 nan 0.000 0.482 446 G N -1.614 107.243 108.800 0.094 0.000 2.159 446 G HA2 -0.173 3.788 3.960 0.002 0.000 0.227 446 G HA3 -0.173 3.788 3.960 0.002 0.000 0.227 446 G C 0.047 175.007 174.900 0.099 0.000 0.986 446 G CA 0.087 45.242 45.100 0.092 0.000 0.651 446 G HN 0.378 nan 8.290 nan 0.000 0.523 447 L N 2.078 123.362 121.223 0.102 0.000 2.371 447 L HA 0.559 4.900 4.340 0.002 0.000 0.272 447 L C 1.476 178.468 176.870 0.202 0.000 1.124 447 L CA 0.036 54.930 54.840 0.090 0.000 0.816 447 L CB 1.316 43.374 42.059 -0.001 0.000 1.129 447 L HN 0.449 nan 8.230 nan 0.000 0.448 448 S N 1.479 117.291 115.700 0.187 0.000 2.681 448 S HA 0.224 4.695 4.470 0.002 0.000 0.270 448 S C 1.053 175.877 174.600 0.374 0.000 1.209 448 S CA -0.935 57.413 58.200 0.246 0.000 0.988 448 S CB 1.487 64.773 63.200 0.144 0.000 1.006 448 S HN 0.324 nan 8.310 nan 0.000 0.558 449 V N 1.180 121.310 119.914 0.360 0.000 2.343 449 V HA -0.152 3.969 4.120 0.002 0.000 0.247 449 V C 2.139 178.404 176.094 0.284 0.000 1.051 449 V CA 2.205 64.739 62.300 0.391 0.000 1.036 449 V CB -0.944 30.987 31.823 0.179 0.000 0.654 449 V HN 0.829 nan 8.190 nan 0.000 0.451 450 D N 0.475 120.991 120.400 0.193 0.000 2.144 450 D HA -0.101 4.540 4.640 0.002 0.000 0.200 450 D C 2.198 178.626 176.300 0.214 0.000 0.978 450 D CA 1.591 55.704 54.000 0.188 0.000 0.833 450 D CB -0.514 40.352 40.800 0.110 0.000 0.961 450 D HN 0.481 nan 8.370 nan 0.000 0.470 451 G N 0.743 109.638 108.800 0.158 0.000 2.418 451 G HA2 -0.192 3.768 3.960 0.002 0.000 0.217 451 G HA3 -0.192 3.768 3.960 0.002 0.000 0.217 451 G C 1.866 176.817 174.900 0.085 0.000 1.158 451 G CA 0.582 45.748 45.100 0.109 0.000 0.771 451 G HN 0.227 nan 8.290 nan 0.000 0.545 452 V N 0.404 120.372 119.914 0.089 0.000 2.427 452 V HA -0.095 4.026 4.120 0.002 0.000 0.248 452 V C 2.285 178.415 176.094 0.060 0.000 1.051 452 V CA 1.683 63.991 62.300 0.014 0.000 1.048 452 V CB -0.593 31.175 31.823 -0.090 0.000 0.666 452 V HN 0.418 nan 8.190 nan 0.000 0.456 453 F N 1.992 121.972 119.950 0.051 0.000 2.095 453 F HA -0.234 4.294 4.527 0.002 0.000 0.298 453 F C 2.330 178.151 175.800 0.036 0.000 1.104 453 F CA 2.139 60.169 58.000 0.050 0.000 1.232 453 F CB -0.350 38.688 39.000 0.064 0.000 0.987 453 F HN 0.190 nan 8.300 nan 0.000 0.475 454 N N 0.817 119.540 118.700 0.038 0.000 2.149 454 N HA -0.169 4.572 4.740 0.002 0.000 0.188 454 N C 1.924 177.350 175.510 -0.141 0.000 1.019 454 N CA 1.703 54.731 53.050 -0.037 0.000 0.857 454 N CB -0.503 38.047 38.487 0.105 0.000 0.997 454 N HN 0.394 nan 8.380 nan 0.000 0.426 455 L N -0.083 121.075 121.223 -0.109 0.000 2.162 455 L HA -0.021 4.320 4.340 0.002 0.000 0.205 455 L C 2.209 178.993 176.870 -0.143 0.000 1.086 455 L CA 1.321 56.099 54.840 -0.103 0.000 0.778 455 L CB -0.368 41.649 42.059 -0.070 0.000 0.928 455 L HN 0.286 nan 8.230 nan 0.000 0.446 456 T N -5.292 109.149 114.554 -0.188 0.000 3.015 456 T HA 0.098 4.449 4.350 0.002 0.000 0.250 456 T C 0.849 175.390 174.700 -0.266 0.000 1.057 456 T CA 0.467 62.462 62.100 -0.174 0.000 1.066 456 T CB -0.067 68.730 68.868 -0.118 0.000 0.959 456 T HN 0.304 nan 8.240 nan 0.000 0.488 457 N N 0.351 118.724 118.700 -0.545 0.000 2.828 457 N HA -0.120 4.621 4.740 0.002 0.000 0.248 457 N C -0.791 174.547 175.510 -0.286 0.000 1.044 457 N CA 0.675 53.328 53.050 -0.661 0.000 0.851 457 N CB -1.794 36.513 38.487 -0.299 0.000 1.136 457 N HN 0.574 nan 8.380 nan 0.000 0.572 458 I N 0.870 121.322 120.570 -0.196 0.000 2.441 458 I HA 0.038 4.209 4.170 0.002 0.000 0.287 458 I C 0.923 177.177 176.117 0.229 0.000 1.049 458 I CA -0.238 60.991 61.300 -0.117 0.000 1.381 458 I CB 0.475 38.230 38.000 -0.408 0.000 1.409 458 I HN 0.130 nan 8.210 nan 0.000 0.523 459 D N 5.727 126.336 120.400 0.348 0.000 2.571 459 D HA -0.072 4.569 4.640 0.002 0.000 0.231 459 D C 1.127 177.651 176.300 0.374 0.000 1.133 459 D CA 0.419 54.672 54.000 0.422 0.000 0.862 459 D CB 0.808 41.825 40.800 0.360 0.000 1.179 459 D HN 0.486 nan 8.370 nan 0.000 0.474 460 R N 2.764 123.411 120.500 0.245 0.000 2.193 460 R HA -0.184 4.157 4.340 0.002 0.000 0.229 460 R C 1.900 178.272 176.300 0.120 0.000 1.110 460 R CA 0.981 57.178 56.100 0.161 0.000 0.988 460 R CB -0.092 30.222 30.300 0.022 0.000 0.871 460 R HN 0.648 nan 8.270 nan 0.000 0.458 461 W N 0.750 122.002 121.300 -0.081 0.000 2.342 461 W HA -0.192 4.469 4.660 0.002 0.000 0.297 461 W C 1.186 177.602 176.519 -0.172 0.000 1.213 461 W CA 1.484 58.711 57.345 -0.197 0.000 1.251 461 W CB -0.181 29.057 29.460 -0.371 0.000 1.136 461 W HN -0.048 nan 8.180 nan 0.000 0.526 462 F N -0.144 119.931 119.950 0.209 0.000 2.149 462 F HA -0.064 4.464 4.527 0.002 0.000 0.294 462 F C 2.271 178.120 175.800 0.083 0.000 1.095 462 F CA 1.355 59.443 58.000 0.146 0.000 1.276 462 F CB -1.321 37.879 39.000 0.334 0.000 1.023 462 F HN -0.260 nan 8.300 nan 0.000 0.480 463 L N 0.334 121.750 121.223 0.321 0.000 2.013 463 L HA -0.221 4.120 4.340 0.002 0.000 0.212 463 L C 2.591 179.510 176.870 0.081 0.000 1.073 463 L CA 1.581 56.602 54.840 0.301 0.000 0.753 463 L CB -1.386 40.905 42.059 0.386 0.000 0.890 463 L HN 0.201 nan 8.230 nan 0.000 0.432 464 V N -2.687 117.192 119.914 -0.058 0.000 2.490 464 V HA -0.274 3.847 4.120 0.002 0.000 0.250 464 V C 2.214 178.167 176.094 -0.235 0.000 1.061 464 V CA 1.536 63.716 62.300 -0.201 0.000 1.064 464 V CB -0.766 30.945 31.823 -0.186 0.000 0.670 464 V HN 0.504 nan 8.190 nan 0.000 0.461 465 Q N 0.138 119.816 119.800 -0.204 0.000 2.079 465 Q HA -0.018 4.323 4.340 0.002 0.000 0.200 465 Q C 2.309 178.225 176.000 -0.139 0.000 0.974 465 Q CA 2.208 57.896 55.803 -0.193 0.000 0.840 465 Q CB -0.251 28.346 28.738 -0.235 0.000 0.898 465 Q HN 0.699 nan 8.270 nan 0.000 0.430 466 I N 0.560 121.076 120.570 -0.091 0.000 2.252 466 I HA -0.255 3.916 4.170 0.002 0.000 0.245 466 I C 2.466 178.430 176.117 -0.256 0.000 1.102 466 I CA 1.096 62.291 61.300 -0.174 0.000 1.385 466 I CB -0.287 37.697 38.000 -0.027 0.000 1.064 466 I HN 0.276 nan 8.210 nan 0.000 0.414 467 E N 1.383 121.302 120.200 -0.468 0.000 2.085 467 E HA -0.329 4.022 4.350 0.002 0.000 0.194 467 E C 2.122 178.517 176.600 -0.342 0.000 0.994 467 E CA 1.771 57.708 56.400 -0.772 0.000 0.801 467 E CB -0.087 28.826 29.700 -1.311 0.000 0.743 467 E HN 0.506 nan 8.360 nan 0.000 0.453 468 E N 0.266 120.320 120.200 -0.243 0.000 2.110 468 E HA -0.200 4.151 4.350 0.002 0.000 0.193 468 E C 2.224 178.817 176.600 -0.012 0.000 0.988 468 E CA 0.936 57.266 56.400 -0.116 0.000 0.804 468 E CB -0.079 29.564 29.700 -0.095 0.000 0.745 468 E HN 0.372 nan 8.360 nan 0.000 0.458 469 L N 0.259 121.474 121.223 -0.013 0.000 2.056 469 L HA -0.148 4.193 4.340 0.002 0.000 0.207 469 L C 2.541 179.546 176.870 0.224 0.000 1.078 469 L CA 0.629 55.562 54.840 0.156 0.000 0.749 469 L CB -0.299 41.757 42.059 -0.004 0.000 0.901 469 L HN 0.108 nan 8.230 nan 0.000 0.433 470 V N -0.192 119.751 119.914 0.048 0.000 2.295 470 V HA -0.254 3.867 4.120 0.002 0.000 0.246 470 V C 2.709 178.847 176.094 0.073 0.000 1.049 470 V CA 1.563 63.908 62.300 0.076 0.000 1.024 470 V CB -0.652 31.203 31.823 0.054 0.000 0.648 470 V HN 0.433 nan 8.190 nan 0.000 0.447 471 R N -0.083 120.434 120.500 0.027 0.000 2.103 471 R HA -0.148 4.192 4.340 0.002 0.000 0.242 471 R C 2.238 178.568 176.300 0.050 0.000 1.142 471 R CA 1.506 57.617 56.100 0.018 0.000 0.960 471 R CB -1.017 29.270 30.300 -0.022 0.000 0.858 471 R HN 0.436 nan 8.270 nan 0.000 0.439 472 L N 0.915 122.195 121.223 0.096 0.000 2.083 472 L HA -0.150 4.191 4.340 0.002 0.000 0.209 472 L C 2.476 179.355 176.870 0.015 0.000 1.083 472 L CA 1.298 56.207 54.840 0.115 0.000 0.752 472 L CB -0.351 41.831 42.059 0.204 0.000 0.899 472 L HN 0.243 nan 8.230 nan 0.000 0.433 473 E N 0.026 120.227 120.200 0.003 0.000 2.072 473 E HA -0.225 4.126 4.350 0.002 0.000 0.191 473 E C 2.005 178.606 176.600 0.002 0.000 0.985 473 E CA 1.149 57.515 56.400 -0.057 0.000 0.801 473 E CB -0.058 29.687 29.700 0.075 0.000 0.750 473 E HN 0.572 nan 8.360 nan 0.000 0.452 474 E N 1.018 121.238 120.200 0.033 0.000 2.118 474 E HA -0.219 4.132 4.350 0.002 0.000 0.195 474 E C 2.077 178.692 176.600 0.025 0.000 0.992 474 E CA 0.992 57.410 56.400 0.030 0.000 0.804 474 E CB -0.082 29.636 29.700 0.031 0.000 0.741 474 E HN 0.099 nan 8.360 nan 0.000 0.458 475 K N 1.044 121.464 120.400 0.034 0.000 2.057 475 K HA -0.115 4.206 4.320 0.002 0.000 0.206 475 K C 2.081 178.731 176.600 0.083 0.000 1.050 475 K CA 0.923 57.227 56.287 0.027 0.000 0.935 475 K CB 0.094 32.590 32.500 -0.007 0.000 0.715 475 K HN -0.050 nan 8.250 nan 0.000 0.439 476 V N 1.510 121.496 119.914 0.119 0.000 2.343 476 V HA -0.252 3.869 4.120 0.002 0.000 0.247 476 V C 2.465 178.585 176.094 0.043 0.000 1.051 476 V CA 2.008 64.367 62.300 0.099 0.000 1.036 476 V CB -0.702 31.082 31.823 -0.064 0.000 0.654 476 V HN 0.515 nan 8.190 nan 0.000 0.451 477 A N -0.794 122.039 122.820 0.022 0.000 1.930 477 A HA -0.246 4.075 4.320 0.002 0.000 0.217 477 A C 2.278 179.874 177.584 0.020 0.000 1.175 477 A CA 1.921 53.968 52.037 0.017 0.000 0.627 477 A CB -0.414 18.597 19.000 0.018 0.000 0.815 477 A HN 0.607 nan 8.150 nan 0.000 0.443 478 E N -0.253 119.959 120.200 0.020 0.000 2.046 478 E HA -0.126 4.225 4.350 0.002 0.000 0.190 478 E C 2.034 178.642 176.600 0.012 0.000 0.982 478 E CA 1.647 58.053 56.400 0.010 0.000 0.800 478 E CB -0.103 29.595 29.700 -0.002 0.000 0.756 478 E HN 0.537 nan 8.360 nan 0.000 0.449 479 V N -1.854 118.074 119.914 0.024 0.000 2.871 479 V HA 0.196 4.317 4.120 0.002 0.000 0.256 479 V C 1.121 177.241 176.094 0.043 0.000 1.082 479 V CA 0.861 63.179 62.300 0.029 0.000 1.105 479 V CB -0.914 30.928 31.823 0.031 0.000 0.713 479 V HN 0.396 nan 8.190 nan 0.000 0.473 480 G N 0.331 109.158 108.800 0.046 0.000 2.749 480 G HA2 -0.354 3.607 3.960 0.002 0.000 0.242 480 G HA3 -0.354 3.607 3.960 0.002 0.000 0.242 480 G C 0.483 175.410 174.900 0.044 0.000 1.364 480 G CA 0.289 45.410 45.100 0.034 0.000 0.888 480 G HN 0.876 nan 8.290 nan 0.000 0.566 481 I N 0.096 120.683 120.570 0.027 0.000 2.423 481 I HA -0.157 4.014 4.170 0.002 0.000 0.254 481 I C 2.669 178.816 176.117 0.049 0.000 1.151 481 I CA 2.613 63.929 61.300 0.027 0.000 1.421 481 I CB -0.182 37.821 38.000 0.006 0.000 1.079 481 I HN 0.648 nan 8.210 nan 0.000 0.431 482 T N 0.145 114.728 114.554 0.048 0.000 2.867 482 T HA -0.068 4.283 4.350 0.002 0.000 0.268 482 T C 1.622 176.368 174.700 0.076 0.000 1.057 482 T CA 1.229 63.362 62.100 0.054 0.000 1.136 482 T CB -0.576 68.313 68.868 0.036 0.000 0.874 482 T HN 0.603 nan 8.240 nan 0.000 0.466 483 G N 0.995 109.848 108.800 0.088 0.000 2.744 483 G HA2 0.090 4.051 3.960 0.002 0.000 0.211 483 G HA3 0.090 4.051 3.960 0.002 0.000 0.211 483 G C 0.772 175.810 174.900 0.230 0.000 1.143 483 G CA -0.140 45.031 45.100 0.119 0.000 0.788 483 G HN 0.460 nan 8.290 nan 0.000 0.534 484 L N 2.511 123.850 121.223 0.194 0.000 2.803 484 L HA 0.120 4.461 4.340 0.002 0.000 0.241 484 L C 0.632 177.654 176.870 0.254 0.000 1.404 484 L CA -0.693 54.269 54.840 0.203 0.000 1.211 484 L CB -1.331 40.780 42.059 0.087 0.000 1.585 484 L HN 0.331 nan 8.230 nan 0.000 0.430 485 N N -0.393 118.430 118.700 0.205 0.000 2.260 485 N HA 0.130 4.871 4.740 0.002 0.000 0.230 485 N C 1.276 176.707 175.510 -0.131 0.000 1.323 485 N CA 0.306 53.387 53.050 0.051 0.000 0.897 485 N CB 0.744 39.235 38.487 0.007 0.000 1.146 485 N HN 0.136 nan 8.380 nan 0.000 0.460 486 A N -0.068 122.393 122.820 -0.598 0.000 1.902 486 A HA -0.218 4.103 4.320 0.002 0.000 0.217 486 A C 1.600 179.054 177.584 -0.216 0.000 1.181 486 A CA 1.771 53.388 52.037 -0.700 0.000 0.623 486 A CB -0.846 17.668 19.000 -0.811 0.000 0.818 486 A HN 0.797 nan 8.150 nan 0.000 0.443 487 D N -1.130 119.201 120.400 -0.116 0.000 2.084 487 D HA -0.127 4.514 4.640 0.002 0.000 0.194 487 D C 1.638 177.998 176.300 0.100 0.000 0.990 487 D CA 1.234 55.230 54.000 -0.007 0.000 0.826 487 D CB -0.460 40.342 40.800 0.002 0.000 0.971 487 D HN 0.382 nan 8.370 nan 0.000 0.453 488 F N 1.193 121.102 119.950 -0.069 0.000 2.102 488 F HA -0.107 4.421 4.527 0.002 0.000 0.298 488 F C 2.075 177.850 175.800 -0.042 0.000 1.105 488 F CA 0.578 58.549 58.000 -0.049 0.000 1.239 488 F CB -0.758 38.214 39.000 -0.046 0.000 0.991 488 F HN -0.091 nan 8.300 nan 0.000 0.474 489 L N 0.922 122.059 121.223 -0.143 0.000 2.042 489 L HA -0.163 4.178 4.340 0.002 0.000 0.210 489 L C 2.646 179.405 176.870 -0.186 0.000 1.076 489 L CA 1.972 56.675 54.840 -0.228 0.000 0.749 489 L CB -0.937 41.124 42.059 0.005 0.000 0.893 489 L HN 0.194 nan 8.230 nan 0.000 0.432 490 R N -1.013 119.432 120.500 -0.093 0.000 2.092 490 R HA -0.206 4.135 4.340 0.002 0.000 0.231 490 R C 2.363 178.614 176.300 -0.081 0.000 1.119 490 R CA 1.628 57.679 56.100 -0.082 0.000 0.970 490 R CB -0.309 29.985 30.300 -0.009 0.000 0.864 490 R HN 0.645 nan 8.270 nan 0.000 0.440 491 Q N 0.628 120.413 119.800 -0.025 0.000 2.050 491 Q HA -0.190 4.151 4.340 0.002 0.000 0.202 491 Q C 2.098 178.094 176.000 -0.007 0.000 0.980 491 Q CA 1.759 57.583 55.803 0.033 0.000 0.840 491 Q CB -0.151 28.682 28.738 0.157 0.000 0.898 491 Q HN 0.456 nan 8.270 nan 0.000 0.424 492 L N 0.661 121.802 121.223 -0.137 0.000 2.012 492 L HA -0.237 4.104 4.340 0.002 0.000 0.210 492 L C 2.662 179.538 176.870 0.009 0.000 1.073 492 L CA 1.251 56.044 54.840 -0.078 0.000 0.748 492 L CB -0.497 41.305 42.059 -0.428 0.000 0.891 492 L HN 0.132 nan 8.230 nan 0.000 0.431 493 K N 0.308 120.568 120.400 -0.235 0.000 2.057 493 K HA -0.150 4.171 4.320 0.002 0.000 0.207 493 K C 2.150 178.529 176.600 -0.367 0.000 1.049 493 K CA 1.346 57.324 56.287 -0.515 0.000 0.931 493 K CB -0.431 31.354 32.500 -1.193 0.000 0.714 493 K HN 0.291 nan 8.250 nan 0.000 0.440 494 R N 0.959 121.355 120.500 -0.173 0.000 2.152 494 R HA -0.040 4.301 4.340 0.002 0.000 0.232 494 R C 1.660 177.986 176.300 0.043 0.000 1.117 494 R CA 0.961 57.074 56.100 0.021 0.000 0.981 494 R CB 0.060 30.398 30.300 0.063 0.000 0.870 494 R HN 0.079 nan 8.270 nan 0.000 0.451 495 K N -0.568 119.851 120.400 0.031 0.000 2.458 495 K HA 0.112 4.433 4.320 0.002 0.000 0.194 495 K C 0.760 177.285 176.600 -0.125 0.000 1.024 495 K CA 0.746 57.028 56.287 -0.008 0.000 1.108 495 K CB 1.059 33.584 32.500 0.042 0.000 0.846 495 K HN 0.379 nan 8.250 nan 0.000 0.518 496 G N 1.752 110.516 108.800 -0.059 0.000 2.143 496 G HA2 -0.264 3.696 3.960 0.002 0.000 0.249 496 G HA3 -0.264 3.696 3.960 0.002 0.000 0.249 496 G C -0.048 174.800 174.900 -0.088 0.000 0.981 496 G CA -0.366 44.701 45.100 -0.057 0.000 0.665 496 G HN 0.208 nan 8.290 nan 0.000 0.528 497 F N 1.554 121.484 119.950 -0.034 0.000 2.578 497 F HA 0.492 5.020 4.527 0.002 0.000 0.376 497 F C 1.183 176.960 175.800 -0.039 0.000 1.085 497 F CA 0.488 58.471 58.000 -0.028 0.000 1.260 497 F CB 0.739 39.700 39.000 -0.065 0.000 1.095 497 F HN 0.369 nan 8.300 nan 0.000 0.573 498 A N 3.007 125.941 122.820 0.190 0.000 2.322 498 A HA 0.214 4.535 4.320 0.002 0.000 0.269 498 A C 1.090 178.728 177.584 0.090 0.000 1.094 498 A CA -0.668 51.438 52.037 0.114 0.000 0.807 498 A CB 0.293 19.349 19.000 0.093 0.000 1.047 498 A HN 0.766 nan 8.150 nan 0.000 0.487 499 D N 1.387 121.819 120.400 0.055 0.000 2.149 499 D HA -0.124 4.517 4.640 0.002 0.000 0.198 499 D C 2.109 178.423 176.300 0.023 0.000 0.990 499 D CA 1.877 55.891 54.000 0.023 0.000 0.839 499 D CB -0.279 40.533 40.800 0.020 0.000 0.948 499 D HN 0.631 nan 8.370 nan 0.000 0.460 500 A N 0.694 123.537 122.820 0.039 0.000 1.930 500 A HA -0.170 4.151 4.320 0.002 0.000 0.217 500 A C 2.195 179.806 177.584 0.045 0.000 1.175 500 A CA 1.594 53.651 52.037 0.035 0.000 0.627 500 A CB -0.317 18.705 19.000 0.037 0.000 0.815 500 A HN 0.074 nan 8.150 nan 0.000 0.443 501 R N 0.030 120.576 120.500 0.077 0.000 2.057 501 R HA 0.057 4.398 4.340 0.002 0.000 0.229 501 R C 1.940 178.272 176.300 0.054 0.000 1.136 501 R CA 1.499 57.664 56.100 0.109 0.000 0.952 501 R CB -0.718 29.713 30.300 0.219 0.000 0.848 501 R HN 0.480 nan 8.270 nan 0.000 0.430 502 L N 0.025 121.257 121.223 0.015 0.000 2.042 502 L HA -0.137 4.204 4.340 0.002 0.000 0.210 502 L C 2.507 179.350 176.870 -0.045 0.000 1.076 502 L CA 1.460 56.257 54.840 -0.072 0.000 0.749 502 L CB -0.736 41.261 42.059 -0.104 0.000 0.893 502 L HN 0.357 nan 8.230 nan 0.000 0.432 503 A N 0.025 122.834 122.820 -0.019 0.000 1.933 503 A HA -0.209 4.112 4.320 0.002 0.000 0.218 503 A C 2.342 179.923 177.584 -0.005 0.000 1.175 503 A CA 1.598 53.627 52.037 -0.014 0.000 0.628 503 A CB -0.316 18.679 19.000 -0.008 0.000 0.814 503 A HN 0.315 nan 8.150 nan 0.000 0.444 504 K N -0.602 119.802 120.400 0.007 0.000 2.097 504 K HA 0.015 4.336 4.320 0.002 0.000 0.205 504 K C 1.805 178.411 176.600 0.010 0.000 1.050 504 K CA 1.167 57.462 56.287 0.012 0.000 0.938 504 K CB -0.298 32.218 32.500 0.027 0.000 0.718 504 K HN 0.462 nan 8.250 nan 0.000 0.442 505 L N 0.139 121.363 121.223 0.002 0.000 2.072 505 L HA -0.104 4.237 4.340 0.002 0.000 0.205 505 L C 2.296 179.163 176.870 -0.006 0.000 1.079 505 L CA 0.995 55.834 54.840 -0.003 0.000 0.752 505 L CB -0.304 41.739 42.059 -0.028 0.000 0.906 505 L HN 0.137 nan 8.230 nan 0.000 0.436 506 A N -0.375 122.436 122.820 -0.014 0.000 2.208 506 A HA 0.244 4.565 4.320 0.002 0.000 0.209 506 A C 1.607 179.190 177.584 -0.003 0.000 1.161 506 A CA 0.642 52.673 52.037 -0.008 0.000 0.782 506 A CB -0.618 18.372 19.000 -0.017 0.000 0.816 506 A HN 0.489 nan 8.150 nan 0.000 0.477 507 G N -0.633 108.166 108.800 -0.002 0.000 2.295 507 G HA2 -0.038 3.923 3.960 0.002 0.000 0.287 507 G HA3 -0.038 3.923 3.960 0.002 0.000 0.287 507 G C 0.223 175.121 174.900 -0.003 0.000 1.055 507 G CA 0.876 45.976 45.100 0.000 0.000 0.922 507 G HN 1.804 nan 8.290 nan 0.000 0.503 508 V N -4.459 115.452 119.914 -0.006 0.000 3.119 508 V HA 0.923 5.044 4.120 0.002 0.000 0.311 508 V C 0.379 176.468 176.094 -0.008 0.000 1.259 508 V CA -1.944 60.351 62.300 -0.008 0.000 1.067 508 V CB 1.324 33.139 31.823 -0.014 0.000 1.123 508 V HN 0.335 nan 8.190 nan 0.000 0.463 509 R N 0.232 120.726 120.500 -0.010 0.000 2.457 509 R HA 0.365 4.706 4.340 0.002 0.000 0.284 509 R C 1.287 177.581 176.300 -0.010 0.000 1.024 509 R CA 0.202 56.297 56.100 -0.008 0.000 1.025 509 R CB 1.102 31.397 30.300 -0.008 0.000 1.063 509 R HN 0.974 nan 8.270 nan 0.000 0.493 510 E N 2.247 122.444 120.200 -0.005 0.000 2.160 510 E HA -0.249 4.102 4.350 0.002 0.000 0.195 510 E C 1.186 177.783 176.600 -0.006 0.000 0.991 510 E CA 1.636 58.034 56.400 -0.003 0.000 0.810 510 E CB 0.069 29.772 29.700 0.005 0.000 0.742 510 E HN 0.723 nan 8.360 nan 0.000 0.466 511 A N 0.580 123.395 122.820 -0.007 0.000 2.066 511 A HA -0.124 4.196 4.320 0.002 0.000 0.218 511 A C 1.845 179.417 177.584 -0.020 0.000 1.157 511 A CA 1.082 53.114 52.037 -0.009 0.000 0.670 511 A CB -0.272 18.724 19.000 -0.006 0.000 0.804 511 A HN 0.331 nan 8.150 nan 0.000 0.453 512 E N -0.267 119.918 120.200 -0.025 0.000 2.106 512 E HA -0.124 4.227 4.350 0.002 0.000 0.192 512 E C 1.682 178.247 176.600 -0.059 0.000 0.984 512 E CA 0.929 57.306 56.400 -0.039 0.000 0.806 512 E CB -0.095 29.585 29.700 -0.033 0.000 0.750 512 E HN 0.529 nan 8.360 nan 0.000 0.458 513 I N 0.809 121.348 120.570 -0.051 0.000 2.252 513 I HA -0.221 3.950 4.170 0.002 0.000 0.245 513 I C 2.497 178.571 176.117 -0.072 0.000 1.102 513 I CA 1.229 62.489 61.300 -0.067 0.000 1.385 513 I CB -0.923 37.047 38.000 -0.050 0.000 1.064 513 I HN 0.100 nan 8.210 nan 0.000 0.414 514 R N 1.477 121.952 120.500 -0.041 0.000 2.092 514 R HA -0.167 4.174 4.340 0.002 0.000 0.231 514 R C 2.243 178.516 176.300 -0.045 0.000 1.119 514 R CA 1.390 57.476 56.100 -0.025 0.000 0.970 514 R CB -0.014 30.291 30.300 0.008 0.000 0.864 514 R HN 0.214 nan 8.270 nan 0.000 0.440 515 K N 0.278 120.644 120.400 -0.057 0.000 2.026 515 K HA -0.161 4.160 4.320 0.002 0.000 0.208 515 K C 2.050 178.563 176.600 -0.145 0.000 1.048 515 K CA 1.472 57.717 56.287 -0.070 0.000 0.929 515 K CB -0.284 32.178 32.500 -0.063 0.000 0.713 515 K HN 0.083 nan 8.250 nan 0.000 0.439 516 L N 1.666 122.765 121.223 -0.207 0.000 2.043 516 L HA -0.242 4.099 4.340 0.002 0.000 0.212 516 L C 2.146 178.705 176.870 -0.517 0.000 1.075 516 L CA 1.738 56.332 54.840 -0.411 0.000 0.752 516 L CB -0.224 41.629 42.059 -0.344 0.000 0.891 516 L HN 0.093 nan 8.230 nan 0.000 0.432 517 R N -0.775 119.565 120.500 -0.267 0.000 2.092 517 R HA -0.137 4.204 4.340 0.002 0.000 0.231 517 R C 1.994 178.170 176.300 -0.207 0.000 1.119 517 R CA 1.467 57.451 56.100 -0.193 0.000 0.970 517 R CB -0.491 29.714 30.300 -0.159 0.000 0.864 517 R HN 0.526 nan 8.270 nan 0.000 0.440 518 D N 0.415 120.739 120.400 -0.126 0.000 2.144 518 D HA -0.178 4.463 4.640 0.002 0.000 0.199 518 D C 1.871 178.186 176.300 0.025 0.000 0.984 518 D CA 1.039 55.058 54.000 0.032 0.000 0.834 518 D CB 0.050 40.904 40.800 0.089 0.000 0.955 518 D HN 0.304 nan 8.370 nan 0.000 0.465 519 Q N -0.293 119.456 119.800 -0.085 0.000 2.002 519 Q HA -0.193 4.148 4.340 0.002 0.000 0.204 519 Q C 1.824 177.876 176.000 0.087 0.000 0.988 519 Q CA 1.310 57.074 55.803 -0.065 0.000 0.843 519 Q CB -0.038 28.546 28.738 -0.257 0.000 0.908 519 Q HN 0.344 nan 8.270 nan 0.000 0.420 520 Y N 0.365 120.665 120.300 -0.001 0.000 2.616 520 Y HA -0.037 4.513 4.550 0.002 0.000 0.296 520 Y C 0.430 176.337 175.900 0.012 0.000 1.154 520 Y CA 0.948 59.049 58.100 0.002 0.000 1.325 520 Y CB -0.370 38.080 38.460 -0.017 0.000 1.007 520 Y HN 0.306 nan 8.280 nan 0.000 0.542 521 D N -0.669 119.827 120.400 0.160 0.000 2.775 521 D HA -0.199 4.442 4.640 0.002 0.000 0.235 521 D C -0.747 175.609 176.300 0.093 0.000 1.120 521 D CA 0.241 54.339 54.000 0.163 0.000 0.708 521 D CB -1.364 39.543 40.800 0.179 0.000 1.084 521 D HN 0.238 nan 8.370 nan 0.000 0.434 522 L N 2.210 123.378 121.223 -0.091 0.000 2.314 522 L HA 0.447 4.788 4.340 0.002 0.000 0.275 522 L C -0.848 175.885 176.870 -0.228 0.000 1.068 522 L CA -0.323 54.499 54.840 -0.030 0.000 0.894 522 L CB 0.514 42.637 42.059 0.106 0.000 1.275 522 L HN 0.109 nan 8.230 nan 0.000 0.432 523 H N 3.819 123.002 119.070 0.189 0.000 2.679 523 H HA 0.600 5.157 4.556 0.002 0.000 0.367 523 H C -2.481 172.679 175.328 -0.281 0.000 1.162 523 H CA -1.815 54.264 56.048 0.051 0.000 1.181 523 H CB 1.710 31.486 29.762 0.024 0.000 1.693 523 H HN 0.388 nan 8.280 nan 0.000 0.538 524 P HA 0.112 nan 4.420 nan 0.000 0.276 524 P C -0.264 176.701 177.300 -0.557 0.000 1.261 524 P CA -0.483 61.988 63.100 -1.049 0.000 0.800 524 P CB 1.052 32.167 31.700 -0.975 0.000 1.066 525 V N -1.868 117.720 119.914 -0.544 0.000 3.019 525 V HA 0.582 4.703 4.120 0.002 0.000 0.317 525 V C -1.088 174.700 176.094 -0.511 0.000 1.094 525 V CA -0.994 61.112 62.300 -0.324 0.000 1.000 525 V CB 1.223 32.954 31.823 -0.153 0.000 1.060 525 V HN 0.329 nan 8.190 nan 0.000 0.443 526 Y N 1.509 121.740 120.300 -0.114 0.000 2.341 526 Y HA 0.742 5.293 4.550 0.002 0.000 0.337 526 Y C 0.419 176.155 175.900 -0.275 0.000 1.014 526 Y CA -0.682 57.320 58.100 -0.162 0.000 1.111 526 Y CB 1.782 40.239 38.460 -0.004 0.000 1.194 526 Y HN 0.518 nan 8.280 nan 0.000 0.462 527 K N 2.918 123.042 120.400 -0.460 0.000 2.238 527 K HA 0.590 4.911 4.320 0.002 0.000 0.239 527 K C -0.432 175.922 176.600 -0.410 0.000 0.987 527 K CA -0.965 55.039 56.287 -0.472 0.000 0.857 527 K CB 1.867 34.015 32.500 -0.586 0.000 1.154 527 K HN 0.688 nan 8.250 nan 0.000 0.439 528 R N 0.107 120.516 120.500 -0.151 0.000 2.787 528 R HA 0.492 4.833 4.340 0.002 0.000 0.271 528 R C -0.435 175.898 176.300 0.055 0.000 0.993 528 R CA -1.103 54.966 56.100 -0.051 0.000 0.993 528 R CB 1.518 31.813 30.300 -0.009 0.000 1.155 528 R HN 0.192 nan 8.270 nan 0.000 0.486 529 V N 2.122 122.005 119.914 -0.052 0.000 2.546 529 V HA 0.047 4.168 4.120 0.002 0.000 0.284 529 V C 0.153 176.289 176.094 0.070 0.000 1.050 529 V CA 0.349 62.612 62.300 -0.061 0.000 0.981 529 V CB 1.270 32.725 31.823 -0.613 0.000 0.990 529 V HN 0.966 nan 8.190 nan 0.000 0.474 530 D N 0.543 121.036 120.400 0.155 0.000 2.497 530 D HA 0.044 4.685 4.640 0.002 0.000 0.256 530 D C 0.914 177.328 176.300 0.191 0.000 1.273 530 D CA 0.741 54.823 54.000 0.136 0.000 0.812 530 D CB 0.035 40.906 40.800 0.118 0.000 1.190 530 D HN 0.747 nan 8.370 nan 0.000 0.524 531 T N -2.045 112.654 114.554 0.242 0.000 8.985 531 T HA -0.380 3.971 4.350 0.002 0.000 0.339 531 T C 1.144 176.060 174.700 0.359 0.000 1.929 531 T CA 1.527 63.831 62.100 0.339 0.000 2.929 531 T CB -2.925 66.269 68.868 0.543 0.000 2.454 531 T HN 0.953 nan 8.240 nan 0.000 1.140 532 C N 0.494 119.944 119.300 0.250 0.000 3.226 532 C HA 0.884 5.345 4.460 0.002 0.000 0.258 532 C C 1.602 176.630 174.990 0.063 0.000 1.688 532 C CA -0.324 58.823 59.018 0.215 0.000 1.774 532 C CB -0.511 27.403 27.740 0.289 0.000 3.167 532 C HN 2.223 nan 8.230 nan 0.000 0.509 533 A N 0.247 123.088 122.820 0.035 0.000 2.791 533 A HA 0.264 4.585 4.320 0.002 0.000 0.292 533 A C 1.559 179.126 177.584 -0.028 0.000 1.487 533 A CA 1.479 53.506 52.037 -0.016 0.000 0.760 533 A CB -1.903 17.068 19.000 -0.049 0.000 1.031 533 A HN 2.826 nan 8.150 nan 0.000 0.503 534 A N -2.044 120.773 122.820 -0.005 0.000 2.979 534 A HA -0.326 3.995 4.320 0.002 0.000 0.260 534 A C 1.199 178.695 177.584 -0.148 0.000 1.282 534 A CA 2.342 54.356 52.037 -0.038 0.000 0.971 534 A CB -2.232 16.756 19.000 -0.020 0.000 1.124 534 A HN 1.899 nan 8.150 nan 0.000 0.826 535 E N -1.635 118.398 120.200 -0.277 0.000 2.274 535 E HA 0.139 4.490 4.350 0.002 0.000 0.194 535 E C 0.134 176.164 176.600 -0.951 0.000 0.996 535 E CA 0.800 56.832 56.400 -0.613 0.000 0.840 535 E CB 0.032 29.252 29.700 -0.800 0.000 0.772 535 E HN 0.758 nan 8.360 nan 0.000 0.491 536 F N -0.595 119.340 119.950 -0.026 0.000 2.588 536 F HA 0.554 5.082 4.527 0.002 0.000 0.314 536 F C 0.154 175.937 175.800 -0.028 0.000 1.069 536 F CA -1.211 56.766 58.000 -0.039 0.000 0.931 536 F CB 1.385 40.341 39.000 -0.073 0.000 1.260 536 F HN -0.188 nan 8.300 nan 0.000 0.465 537 A N 0.764 123.688 122.820 0.174 0.000 2.313 537 A HA 0.644 4.965 4.320 0.002 0.000 0.261 537 A C -0.221 177.407 177.584 0.074 0.000 1.090 537 A CA -0.137 51.952 52.037 0.087 0.000 0.807 537 A CB 0.748 19.783 19.000 0.058 0.000 1.055 537 A HN 0.715 nan 8.150 nan 0.000 0.492 538 T N -0.914 113.663 114.554 0.039 0.000 2.912 538 T HA 0.436 4.787 4.350 0.002 0.000 0.299 538 T C -0.527 174.175 174.700 0.002 0.000 1.052 538 T CA -0.555 61.554 62.100 0.015 0.000 0.996 538 T CB 1.178 70.057 68.868 0.018 0.000 1.070 538 T HN 0.534 nan 8.240 nan 0.000 0.465 539 D N 1.989 122.381 120.400 -0.013 0.000 2.360 539 D HA 0.154 4.795 4.640 0.002 0.000 0.210 539 D C 0.510 176.803 176.300 -0.011 0.000 1.047 539 D CA 0.423 54.418 54.000 -0.009 0.000 0.854 539 D CB 0.565 41.359 40.800 -0.010 0.000 0.936 539 D HN 0.500 nan 8.370 nan 0.000 0.514 540 T N 0.592 115.130 114.554 -0.027 0.000 2.910 540 T HA 0.494 4.845 4.350 0.002 0.000 0.293 540 T C 0.296 175.003 174.700 0.012 0.000 1.015 540 T CA -0.448 61.638 62.100 -0.024 0.000 1.094 540 T CB 1.922 70.720 68.868 -0.118 0.000 0.968 540 T HN -0.050 nan 8.240 nan 0.000 0.521 541 A N 3.146 125.985 122.820 0.030 0.000 2.923 541 A HA 0.422 4.743 4.320 0.002 0.000 0.343 541 A C -0.881 176.735 177.584 0.053 0.000 1.199 541 A CA -0.563 51.478 52.037 0.006 0.000 0.878 541 A CB -0.165 18.812 19.000 -0.039 0.000 1.104 541 A HN 0.726 nan 8.150 nan 0.000 0.483 542 Y N 3.338 123.611 120.300 -0.045 0.000 2.417 542 Y HA 0.710 5.261 4.550 0.002 0.000 0.336 542 Y C -0.572 175.323 175.900 -0.007 0.000 0.961 542 Y CA -1.756 56.353 58.100 0.014 0.000 1.215 542 Y CB 0.539 39.056 38.460 0.095 0.000 1.120 542 Y HN 0.595 nan 8.280 nan 0.000 0.499 543 M N 6.583 126.279 119.600 0.161 0.000 2.761 543 M HA 0.569 5.050 4.480 0.002 0.000 0.305 543 M C -1.530 174.925 176.300 0.258 0.000 1.235 543 M CA -1.124 54.193 55.300 0.028 0.000 0.850 543 M CB 2.786 35.274 32.600 -0.188 0.000 1.744 543 M HN 0.486 nan 8.290 nan 0.000 0.480 544 Y N -1.785 118.611 120.300 0.160 0.000 2.571 544 Y HA 0.804 5.355 4.550 0.002 0.000 0.341 544 Y C -0.727 175.270 175.900 0.162 0.000 1.076 544 Y CA -1.386 56.828 58.100 0.190 0.000 1.029 544 Y CB 0.870 39.322 38.460 -0.013 0.000 1.308 544 Y HN 0.744 nan 8.280 nan 0.000 0.461 545 S N 1.428 117.230 115.700 0.170 0.000 2.610 545 S HA 0.805 5.276 4.470 0.002 0.000 0.273 545 S C -0.379 174.164 174.600 -0.094 0.000 1.274 545 S CA 0.016 58.030 58.200 -0.311 0.000 1.023 545 S CB 1.708 64.680 63.200 -0.381 0.000 0.962 545 S HN 1.145 nan 8.310 nan 0.000 0.523 546 T N 0.695 115.090 114.554 -0.265 0.000 2.830 546 T HA 0.389 4.740 4.350 0.002 0.000 0.322 546 T C -2.156 172.415 174.700 -0.215 0.000 1.501 546 T CA -0.592 61.474 62.100 -0.055 0.000 1.036 546 T CB 0.654 69.574 68.868 0.087 0.000 1.379 546 T HN 0.586 nan 8.240 nan 0.000 0.493 547 Y N 2.477 122.770 120.300 -0.011 0.000 2.691 547 Y HA 0.526 5.077 4.550 0.002 0.000 0.338 547 Y C 0.856 176.760 175.900 0.007 0.000 1.148 547 Y CA -0.180 57.916 58.100 -0.007 0.000 1.430 547 Y CB 0.565 39.031 38.460 0.010 0.000 1.303 547 Y HN 0.605 nan 8.280 nan 0.000 0.499 548 E N 0.086 120.295 120.200 0.014 0.000 2.469 548 E HA 0.286 4.636 4.350 0.002 0.000 0.237 548 E C 0.485 177.095 176.600 0.018 0.000 0.840 548 E CA -0.529 55.892 56.400 0.036 0.000 0.894 548 E CB 1.117 30.839 29.700 0.037 0.000 1.681 548 E HN 0.286 nan 8.360 nan 0.000 0.401 549 E N 0.607 120.818 120.200 0.019 0.000 2.038 549 E HA 0.008 4.359 4.350 0.002 0.000 0.190 549 E C -0.119 176.485 176.600 0.007 0.000 0.967 549 E CA 0.594 57.005 56.400 0.019 0.000 0.816 549 E CB 0.036 29.750 29.700 0.023 0.000 0.784 549 E HN 0.359 nan 8.360 nan 0.000 0.456 550 E N 0.577 120.778 120.200 0.002 0.000 2.259 550 E HA 0.137 4.488 4.350 0.002 0.000 0.281 550 E C -1.085 175.508 176.600 -0.012 0.000 1.027 550 E CA -0.226 56.174 56.400 0.000 0.000 0.838 550 E CB 1.036 30.737 29.700 0.003 0.000 1.066 550 E HN 0.050 nan 8.360 nan 0.000 0.401 551 C N 4.432 123.734 119.300 0.003 0.000 2.355 551 C HA 0.346 4.807 4.460 0.002 0.000 0.332 551 C C 0.506 175.510 174.990 0.023 0.000 1.255 551 C CA -0.284 58.743 59.018 0.016 0.000 1.792 551 C CB 0.196 27.967 27.740 0.051 0.000 2.300 551 C HN 0.931 nan 8.230 nan 0.000 0.515 552 E N 2.877 123.092 120.200 0.026 0.000 2.583 552 E HA 0.149 4.500 4.350 0.002 0.000 0.213 552 E C 1.516 178.133 176.600 0.028 0.000 0.989 552 E CA 0.272 56.681 56.400 0.015 0.000 0.991 552 E CB 0.531 30.224 29.700 -0.012 0.000 1.040 552 E HN 0.804 nan 8.360 nan 0.000 0.481 553 A N 2.103 124.967 122.820 0.072 0.000 1.883 553 A HA -0.242 4.079 4.320 0.002 0.000 0.217 553 A C 1.208 178.806 177.584 0.024 0.000 1.186 553 A CA 1.148 53.215 52.037 0.050 0.000 0.624 553 A CB -0.599 18.450 19.000 0.081 0.000 0.822 553 A HN 0.520 nan 8.150 nan 0.000 0.444 554 N N -0.245 118.473 118.700 0.030 0.000 2.669 554 N HA -0.121 4.620 4.740 0.002 0.000 0.266 554 N C -2.385 173.136 175.510 0.018 0.000 1.024 554 N CA 0.099 53.161 53.050 0.020 0.000 0.766 554 N CB -0.634 37.861 38.487 0.013 0.000 0.898 554 N HN 0.315 nan 8.380 nan 0.000 0.548 555 P HA 0.043 nan 4.420 nan 0.000 0.269 555 P C -0.072 177.237 177.300 0.016 0.000 1.215 555 P CA -0.158 62.954 63.100 0.021 0.000 0.780 555 P CB 0.892 32.601 31.700 0.015 0.000 0.898 556 S N 0.318 116.029 115.700 0.018 0.000 2.580 556 S HA 0.213 4.684 4.470 0.002 0.000 0.274 556 S C 0.896 175.503 174.600 0.012 0.000 1.329 556 S CA 0.224 58.434 58.200 0.015 0.000 1.036 556 S CB 0.056 63.267 63.200 0.018 0.000 0.919 556 S HN 0.544 nan 8.310 nan 0.000 0.515 557 T N -0.375 114.185 114.554 0.009 0.000 2.990 557 T HA 0.126 4.477 4.350 0.002 0.000 0.250 557 T C 1.060 175.764 174.700 0.006 0.000 1.041 557 T CA 0.162 62.266 62.100 0.006 0.000 1.010 557 T CB -0.324 68.547 68.868 0.005 0.000 1.003 557 T HN 0.587 nan 8.240 nan 0.000 0.499 558 D N 2.394 122.797 120.400 0.006 0.000 2.173 558 D HA -0.033 4.608 4.640 0.002 0.000 0.205 558 D C 1.138 177.440 176.300 0.003 0.000 1.002 558 D CA 1.204 55.206 54.000 0.003 0.000 0.881 558 D CB 0.086 40.889 40.800 0.005 0.000 1.062 558 D HN 0.366 nan 8.370 nan 0.000 0.459 559 R N 0.211 120.717 120.500 0.009 0.000 2.549 559 R HA 0.373 4.714 4.340 0.002 0.000 0.259 559 R C 0.026 176.347 176.300 0.034 0.000 1.095 559 R CA -0.530 55.577 56.100 0.011 0.000 1.148 559 R CB 0.586 30.894 30.300 0.014 0.000 1.181 559 R HN 0.211 nan 8.270 nan 0.000 0.571 560 E N 1.885 122.116 120.200 0.052 0.000 2.259 560 E HA 0.128 4.479 4.350 0.002 0.000 0.281 560 E C -0.782 175.933 176.600 0.192 0.000 1.037 560 E CA -0.133 56.339 56.400 0.119 0.000 0.854 560 E CB 1.029 30.831 29.700 0.170 0.000 1.051 560 E HN 0.223 nan 8.360 nan 0.000 0.409 561 K N 2.843 123.318 120.400 0.125 0.000 2.156 561 K HA 0.540 4.861 4.320 0.002 0.000 0.254 561 K C -0.372 176.249 176.600 0.035 0.000 0.950 561 K CA -0.698 55.647 56.287 0.096 0.000 0.849 561 K CB 1.670 34.200 32.500 0.050 0.000 1.100 561 K HN 0.353 nan 8.250 nan 0.000 0.434 562 I N 2.899 123.467 120.570 -0.004 0.000 2.447 562 I HA 0.291 4.462 4.170 0.002 0.000 0.287 562 I C -0.616 175.461 176.117 -0.066 0.000 1.023 562 I CA -0.566 60.673 61.300 -0.102 0.000 1.083 562 I CB 1.656 39.499 38.000 -0.261 0.000 1.245 562 I HN 0.618 nan 8.210 nan 0.000 0.434 563 M N 6.040 125.595 119.600 -0.075 0.000 2.209 563 M HA 0.486 4.967 4.480 0.002 0.000 0.355 563 M C -1.094 175.160 176.300 -0.077 0.000 1.171 563 M CA -0.597 54.667 55.300 -0.059 0.000 1.069 563 M CB 1.756 34.316 32.600 -0.067 0.000 1.622 563 M HN 0.282 nan 8.290 nan 0.000 0.459 564 V N 6.192 126.077 119.914 -0.049 0.000 2.444 564 V HA 0.423 4.544 4.120 0.002 0.000 0.294 564 V C -0.362 175.719 176.094 -0.021 0.000 1.022 564 V CA -0.769 61.502 62.300 -0.048 0.000 0.850 564 V CB 1.554 33.364 31.823 -0.022 0.000 0.992 564 V HN 0.752 nan 8.190 nan 0.000 0.426 565 L N 4.341 125.550 121.223 -0.023 0.000 2.292 565 L HA 0.664 5.005 4.340 0.002 0.000 0.284 565 L C 1.086 177.961 176.870 0.009 0.000 1.065 565 L CA -0.130 54.701 54.840 -0.014 0.000 0.806 565 L CB 1.232 43.276 42.059 -0.026 0.000 1.175 565 L HN 0.768 nan 8.230 nan 0.000 0.431 566 G N 1.211 110.008 108.800 -0.005 0.000 2.588 566 G HA2 0.374 4.335 3.960 0.002 0.000 0.281 566 G HA3 0.374 4.335 3.960 0.002 0.000 0.281 566 G C 0.776 175.669 174.900 -0.011 0.000 1.236 566 G CA -0.005 45.095 45.100 -0.001 0.000 0.969 566 G HN 0.784 nan 8.290 nan 0.000 0.504 567 G N -1.731 107.066 108.800 -0.006 0.000 3.088 567 G HA2 0.498 4.458 3.960 0.002 0.000 0.217 567 G HA3 0.498 4.458 3.960 0.002 0.000 0.217 567 G C 1.032 175.907 174.900 -0.041 0.000 1.159 567 G CA 0.855 45.937 45.100 -0.030 0.000 0.760 567 G HN 1.836 nan 8.290 nan 0.000 0.550 568 G N 0.721 109.490 108.800 -0.051 0.000 2.512 568 G HA2 -0.191 3.770 3.960 0.002 0.000 0.254 568 G HA3 -0.191 3.770 3.960 0.002 0.000 0.254 568 G C -2.433 172.439 174.900 -0.046 0.000 1.199 568 G CA -0.208 44.858 45.100 -0.058 0.000 0.941 568 G HN 0.388 nan 8.290 nan 0.000 0.569 569 P HA 0.251 nan 4.420 nan 0.000 0.272 569 P C -0.255 177.031 177.300 -0.024 0.000 1.230 569 P CA -0.168 62.914 63.100 -0.031 0.000 0.788 569 P CB 0.269 31.952 31.700 -0.028 0.000 0.949 570 N N 1.337 120.023 118.700 -0.023 0.000 2.530 570 N HA 0.440 5.181 4.740 0.002 0.000 0.277 570 N C -0.020 175.479 175.510 -0.019 0.000 1.168 570 N CA -0.408 52.639 53.050 -0.004 0.000 0.979 570 N CB 0.541 39.029 38.487 0.000 0.000 1.141 570 N HN 0.315 nan 8.380 nan 0.000 0.459 571 R N 0.382 120.881 120.500 -0.002 0.000 2.795 571 R HA 0.453 4.794 4.340 0.002 0.000 0.268 571 R C -0.956 175.350 176.300 0.009 0.000 1.041 571 R CA -0.831 55.265 56.100 -0.008 0.000 0.927 571 R CB 0.772 31.062 30.300 -0.017 0.000 1.235 571 R HN 0.415 nan 8.270 nan 0.000 0.463 572 I N 1.958 122.532 120.570 0.006 0.000 2.664 572 I HA 0.140 4.311 4.170 0.002 0.000 0.284 572 I C 1.084 177.194 176.117 -0.011 0.000 1.154 572 I CA 1.777 63.079 61.300 0.003 0.000 1.402 572 I CB 0.331 38.336 38.000 0.009 0.000 1.395 572 I HN 0.977 nan 8.210 nan 0.000 0.545 573 G N 4.801 113.616 108.800 0.025 0.000 2.254 573 G HA2 -0.192 3.769 3.960 0.002 0.000 0.225 573 G HA3 -0.192 3.769 3.960 0.002 0.000 0.225 573 G C 0.295 175.330 174.900 0.225 0.000 1.003 573 G CA -0.490 44.648 45.100 0.064 0.000 0.622 573 G HN 0.518 nan 8.290 nan 0.000 0.507 574 Q N 1.263 121.168 119.800 0.174 0.000 2.943 574 Q HA 0.536 4.877 4.340 0.002 0.000 0.327 574 Q C 0.675 176.842 176.000 0.279 0.000 0.937 574 Q CA 0.346 56.280 55.803 0.218 0.000 0.914 574 Q CB 0.961 29.671 28.738 -0.046 0.000 1.339 574 Q HN 0.554 nan 8.270 nan 0.000 0.417 575 G N 0.271 109.271 108.800 0.334 0.000 2.695 575 G HA2 0.301 4.262 3.960 0.002 0.000 0.213 575 G HA3 0.301 4.262 3.960 0.002 0.000 0.213 575 G C 0.713 175.686 174.900 0.122 0.000 1.406 575 G CA -0.569 44.619 45.100 0.147 0.000 1.049 575 G HN 0.456 nan 8.290 nan 0.000 0.573 576 I N 0.068 120.656 120.570 0.031 0.000 2.567 576 I HA -0.118 4.053 4.170 0.002 0.000 0.257 576 I C 2.450 178.553 176.117 -0.023 0.000 1.184 576 I CA 1.232 62.547 61.300 0.024 0.000 1.451 576 I CB -0.026 37.986 38.000 0.021 0.000 1.089 576 I HN 0.507 nan 8.210 nan 0.000 0.441 577 E N 0.677 120.767 120.200 -0.182 0.000 2.085 577 E HA -0.231 4.120 4.350 0.002 0.000 0.194 577 E C 1.839 178.226 176.600 -0.355 0.000 0.994 577 E CA 1.691 57.868 56.400 -0.371 0.000 0.801 577 E CB -0.425 28.919 29.700 -0.594 0.000 0.743 577 E HN 0.475 nan 8.360 nan 0.000 0.453 578 F N 0.644 120.593 119.950 -0.002 0.000 2.186 578 F HA -0.080 4.448 4.527 0.002 0.000 0.299 578 F C 2.058 177.877 175.800 0.031 0.000 1.090 578 F CA 1.308 59.308 58.000 0.001 0.000 1.307 578 F CB -0.534 38.467 39.000 0.001 0.000 1.019 578 F HN 0.015 nan 8.300 nan 0.000 0.489 579 D N -1.257 119.250 120.400 0.178 0.000 2.224 579 D HA -0.240 4.401 4.640 0.002 0.000 0.205 579 D C 2.104 178.465 176.300 0.103 0.000 0.965 579 D CA 0.692 54.766 54.000 0.125 0.000 0.852 579 D CB -0.211 40.642 40.800 0.088 0.000 0.947 579 D HN 0.308 nan 8.370 nan 0.000 0.494 580 Y N 0.319 120.577 120.300 -0.070 0.000 2.200 580 Y HA -0.196 4.355 4.550 0.002 0.000 0.290 580 Y C 2.067 177.852 175.900 -0.191 0.000 1.137 580 Y CA 1.318 59.334 58.100 -0.141 0.000 1.163 580 Y CB -0.460 37.882 38.460 -0.196 0.000 0.988 580 Y HN 0.127 nan 8.280 nan 0.000 0.518 581 C N -0.676 118.664 119.300 0.068 0.000 2.432 581 C HA -0.220 4.241 4.460 0.002 0.000 0.277 581 C C 2.981 178.023 174.990 0.087 0.000 1.249 581 C CA 1.106 60.075 59.018 -0.083 0.000 1.725 581 C CB -1.678 25.843 27.740 -0.366 0.000 2.028 581 C HN 0.783 nan 8.230 nan 0.000 0.477 582 C N 0.322 119.724 119.300 0.170 0.000 2.401 582 C HA -0.113 4.348 4.460 0.002 0.000 0.276 582 C C 2.758 177.834 174.990 0.144 0.000 1.233 582 C CA 1.242 60.399 59.018 0.232 0.000 1.753 582 C CB -1.376 26.458 27.740 0.157 0.000 2.029 582 C HN 0.551 nan 8.230 nan 0.000 0.478 583 V N -0.457 119.493 119.914 0.060 0.000 2.343 583 V HA -0.244 3.877 4.120 0.002 0.000 0.247 583 V C 2.246 178.405 176.094 0.109 0.000 1.051 583 V CA 2.044 64.368 62.300 0.040 0.000 1.036 583 V CB -0.898 30.908 31.823 -0.027 0.000 0.654 583 V HN 0.670 nan 8.190 nan 0.000 0.451 584 H N -0.511 118.490 119.070 -0.115 0.000 2.423 584 H HA -0.082 4.475 4.556 0.002 0.000 0.297 584 H C 2.326 177.677 175.328 0.038 0.000 1.075 584 H CA 0.954 56.954 56.048 -0.080 0.000 1.342 584 H CB 0.118 29.819 29.762 -0.103 0.000 1.395 584 H HN 0.480 nan 8.280 nan 0.000 0.530 585 A N 0.248 123.230 122.820 0.270 0.000 1.902 585 A HA -0.204 4.117 4.320 0.002 0.000 0.217 585 A C 2.531 180.160 177.584 0.074 0.000 1.181 585 A CA 1.764 53.916 52.037 0.191 0.000 0.623 585 A CB -0.671 18.422 19.000 0.154 0.000 0.818 585 A HN 0.369 nan 8.150 nan 0.000 0.443 586 S N -0.310 115.433 115.700 0.072 0.000 2.355 586 S HA -0.104 4.367 4.470 0.002 0.000 0.222 586 S C 1.958 176.577 174.600 0.031 0.000 1.031 586 S CA 1.459 59.682 58.200 0.039 0.000 0.993 586 S CB -0.560 62.662 63.200 0.038 0.000 0.859 586 S HN 0.476 nan 8.310 nan 0.000 0.453 587 L N 1.279 122.512 121.223 0.017 0.000 2.046 587 L HA -0.027 4.314 4.340 0.002 0.000 0.208 587 L C 2.988 179.846 176.870 -0.020 0.000 1.077 587 L CA 1.255 56.084 54.840 -0.019 0.000 0.747 587 L CB -0.894 41.121 42.059 -0.073 0.000 0.896 587 L HN 0.391 nan 8.230 nan 0.000 0.432 588 A N 0.804 123.613 122.820 -0.018 0.000 1.835 588 A HA -0.141 4.180 4.320 0.002 0.000 0.215 588 A C 2.274 179.890 177.584 0.054 0.000 1.199 588 A CA 1.555 53.594 52.037 0.003 0.000 0.615 588 A CB -0.926 18.084 19.000 0.016 0.000 0.838 588 A HN 0.347 nan 8.150 nan 0.000 0.444 589 L N -0.839 120.426 121.223 0.070 0.000 2.127 589 L HA -0.202 4.139 4.340 0.002 0.000 0.211 589 L C 2.785 179.786 176.870 0.218 0.000 1.089 589 L CA 1.821 56.755 54.840 0.156 0.000 0.757 589 L CB -0.569 41.489 42.059 -0.001 0.000 0.899 589 L HN 0.521 nan 8.230 nan 0.000 0.434 590 R N 0.834 121.404 120.500 0.116 0.000 2.075 590 R HA -0.225 4.116 4.340 0.002 0.000 0.232 590 R C 2.198 178.538 176.300 0.065 0.000 1.126 590 R CA 1.774 57.930 56.100 0.094 0.000 0.963 590 R CB -0.068 30.266 30.300 0.058 0.000 0.858 590 R HN 0.317 nan 8.270 nan 0.000 0.435 591 E N 0.322 120.551 120.200 0.049 0.000 2.150 591 E HA -0.164 4.187 4.350 0.002 0.000 0.193 591 E C 0.872 177.490 176.600 0.030 0.000 0.985 591 E CA 1.589 58.005 56.400 0.026 0.000 0.814 591 E CB 0.015 29.721 29.700 0.009 0.000 0.752 591 E HN 0.315 nan 8.360 nan 0.000 0.466 592 D N -1.278 119.163 120.400 0.069 0.000 2.363 592 D HA 0.099 4.740 4.640 0.002 0.000 0.220 592 D C 1.013 177.291 176.300 -0.037 0.000 0.994 592 D CA 1.046 55.082 54.000 0.060 0.000 0.890 592 D CB 0.588 41.490 40.800 0.170 0.000 0.906 592 D HN 0.374 nan 8.370 nan 0.000 0.530 593 G N -1.020 107.767 108.800 -0.022 0.000 2.184 593 G HA2 -0.257 3.704 3.960 0.002 0.000 0.206 593 G HA3 -0.257 3.704 3.960 0.002 0.000 0.206 593 G C 0.097 174.908 174.900 -0.148 0.000 0.995 593 G CA -0.385 44.647 45.100 -0.114 0.000 0.651 593 G HN 0.265 nan 8.290 nan 0.000 0.511 594 Y N 0.751 121.050 120.300 -0.002 0.000 2.281 594 Y HA 0.524 5.075 4.550 0.002 0.000 0.337 594 Y C 1.021 176.922 175.900 0.002 0.000 1.304 594 Y CA 0.026 58.125 58.100 -0.002 0.000 1.465 594 Y CB 0.562 39.019 38.460 -0.005 0.000 1.350 594 Y HN 0.144 nan 8.280 nan 0.000 0.575 595 E N 1.106 121.424 120.200 0.197 0.000 2.081 595 E HA 0.171 4.522 4.350 0.002 0.000 0.281 595 E C -1.061 175.604 176.600 0.108 0.000 0.986 595 E CA -0.598 55.870 56.400 0.113 0.000 0.796 595 E CB 0.485 30.231 29.700 0.078 0.000 1.085 595 E HN 0.646 nan 8.360 nan 0.000 0.398 596 T N 2.812 117.418 114.554 0.086 0.000 2.743 596 T HA 0.463 4.814 4.350 0.002 0.000 0.293 596 T C 0.145 174.880 174.700 0.057 0.000 0.945 596 T CA -0.641 61.494 62.100 0.058 0.000 1.030 596 T CB 0.200 69.098 68.868 0.050 0.000 0.912 596 T HN 0.312 nan 8.240 nan 0.000 0.483 597 I N 3.927 124.529 120.570 0.053 0.000 2.362 597 I HA 0.436 4.607 4.170 0.002 0.000 0.289 597 I C -0.161 176.000 176.117 0.074 0.000 0.994 597 I CA -0.983 60.371 61.300 0.090 0.000 1.158 597 I CB 1.836 39.899 38.000 0.106 0.000 1.315 597 I HN 0.559 nan 8.210 nan 0.000 0.451 598 M N 7.776 127.433 119.600 0.096 0.000 2.268 598 M HA 0.529 5.010 4.480 0.002 0.000 0.344 598 M C -1.386 174.971 176.300 0.094 0.000 1.106 598 M CA -0.368 54.969 55.300 0.063 0.000 1.010 598 M CB 1.538 34.158 32.600 0.033 0.000 1.649 598 M HN 0.292 nan 8.290 nan 0.000 0.443 599 V N 5.588 125.528 119.914 0.045 0.000 2.350 599 V HA 0.699 4.820 4.120 0.002 0.000 0.285 599 V C -0.581 175.491 176.094 -0.036 0.000 1.014 599 V CA -0.568 61.757 62.300 0.041 0.000 0.831 599 V CB 1.072 32.903 31.823 0.014 0.000 1.000 599 V HN 0.940 nan 8.190 nan 0.000 0.433 600 N N 2.527 121.155 118.700 -0.120 0.000 3.127 600 N HA 0.490 5.231 4.740 0.002 0.000 0.239 600 N C -0.395 174.773 175.510 -0.569 0.000 1.407 600 N CA -0.222 52.683 53.050 -0.242 0.000 0.891 600 N CB 1.995 40.363 38.487 -0.199 0.000 1.447 600 N HN 0.674 nan 8.380 nan 0.000 0.507 601 C N -0.404 118.542 119.300 -0.591 0.000 3.489 601 C HA 0.506 4.967 4.460 0.002 0.000 0.264 601 C C 0.035 174.785 174.990 -0.401 0.000 2.026 601 C CA -0.996 57.492 59.018 -0.883 0.000 1.705 601 C CB -1.492 26.106 27.740 -0.237 0.000 3.389 601 C HN 0.586 nan 8.230 nan 0.000 0.459 602 N N 3.211 121.721 118.700 -0.317 0.000 2.406 602 N HA 0.305 5.046 4.740 0.002 0.000 0.251 602 N C -1.121 174.398 175.510 0.013 0.000 1.069 602 N CA -1.966 51.031 53.050 -0.088 0.000 0.947 602 N CB 1.679 40.114 38.487 -0.087 0.000 1.111 602 N HN 0.266 nan 8.380 nan 0.000 0.497 603 P HA -0.051 nan 4.420 nan 0.000 0.225 603 P C 0.388 177.623 177.300 -0.109 0.000 1.156 603 P CA 1.094 64.281 63.100 0.145 0.000 0.787 603 P CB 0.487 32.254 31.700 0.110 0.000 0.802 604 E N 0.036 120.170 120.200 -0.111 0.000 2.208 604 E HA -0.047 4.303 4.350 0.002 0.000 0.193 604 E C 1.045 177.537 176.600 -0.180 0.000 0.988 604 E CA 0.858 57.159 56.400 -0.165 0.000 0.828 604 E CB -0.410 29.224 29.700 -0.110 0.000 0.763 604 E HN 0.386 nan 8.360 nan 0.000 0.478 605 T N -2.096 112.374 114.554 -0.139 0.000 2.849 605 T HA 0.165 4.516 4.350 0.002 0.000 0.284 605 T C 1.270 175.947 174.700 -0.038 0.000 1.004 605 T CA -0.740 61.323 62.100 -0.061 0.000 1.021 605 T CB 1.760 70.606 68.868 -0.037 0.000 1.013 605 T HN -0.207 nan 8.240 nan 0.000 0.527 606 V N 1.937 121.901 119.914 0.083 0.000 2.871 606 V HA -0.094 4.027 4.120 0.002 0.000 0.256 606 V C 3.000 179.120 176.094 0.043 0.000 1.082 606 V CA 1.779 64.161 62.300 0.138 0.000 1.105 606 V CB -0.936 30.954 31.823 0.112 0.000 0.713 606 V HN 1.102 nan 8.190 nan 0.000 0.473 607 S N 1.229 116.933 115.700 0.007 0.000 2.370 607 S HA -0.209 4.262 4.470 0.002 0.000 0.226 607 S C 1.794 176.366 174.600 -0.047 0.000 1.033 607 S CA 1.831 60.022 58.200 -0.014 0.000 1.011 607 S CB -0.942 62.250 63.200 -0.013 0.000 0.852 607 S HN 0.694 nan 8.310 nan 0.000 0.457 608 T N -0.538 113.972 114.554 -0.074 0.000 3.366 608 T HA 0.227 4.578 4.350 0.002 0.000 0.249 608 T C -0.156 174.494 174.700 -0.084 0.000 1.028 608 T CA -0.251 61.805 62.100 -0.073 0.000 0.938 608 T CB -0.415 68.424 68.868 -0.049 0.000 1.046 608 T HN 0.340 nan 8.240 nan 0.000 0.587 609 D N 1.259 121.615 120.400 -0.073 0.000 2.232 609 D HA 0.118 4.759 4.640 0.002 0.000 0.242 609 D C 1.114 177.294 176.300 -0.199 0.000 1.093 609 D CA -1.196 52.744 54.000 -0.100 0.000 0.845 609 D CB 0.893 41.720 40.800 0.046 0.000 1.124 609 D HN 0.408 nan 8.370 nan 0.000 0.467 610 Y N 1.967 122.204 120.300 -0.106 0.000 2.365 610 Y HA -0.133 4.418 4.550 0.002 0.000 0.287 610 Y C 1.235 177.120 175.900 -0.025 0.000 1.162 610 Y CA 0.926 58.960 58.100 -0.110 0.000 1.260 610 Y CB -0.425 37.997 38.460 -0.062 0.000 0.976 610 Y HN 0.244 nan 8.280 nan 0.000 0.548 611 D N 0.415 120.671 120.400 -0.239 0.000 2.183 611 D HA -0.098 4.543 4.640 0.002 0.000 0.203 611 D C 1.925 178.215 176.300 -0.016 0.000 0.969 611 D CA 1.771 55.729 54.000 -0.070 0.000 0.842 611 D CB -0.245 40.462 40.800 -0.154 0.000 0.957 611 D HN 0.508 nan 8.370 nan 0.000 0.484 612 T N -0.041 114.492 114.554 -0.034 0.000 2.881 612 T HA -0.053 4.298 4.350 0.002 0.000 0.270 612 T C 1.192 175.901 174.700 0.015 0.000 1.068 612 T CA 0.827 62.923 62.100 -0.007 0.000 1.131 612 T CB 0.061 68.925 68.868 -0.006 0.000 0.871 612 T HN 0.166 nan 8.240 nan 0.000 0.479 613 S N -0.178 115.538 115.700 0.027 0.000 2.732 613 S HA 0.440 4.911 4.470 0.002 0.000 0.293 613 S C 0.016 174.647 174.600 0.052 0.000 1.159 613 S CA -0.985 57.238 58.200 0.038 0.000 0.847 613 S CB 1.592 64.814 63.200 0.037 0.000 1.169 613 S HN -0.065 nan 8.310 nan 0.000 0.501 614 D N 0.638 121.069 120.400 0.052 0.000 2.120 614 D HA 0.092 4.733 4.640 0.002 0.000 0.202 614 D C 0.172 176.500 176.300 0.046 0.000 0.972 614 D CA 1.096 55.128 54.000 0.052 0.000 0.837 614 D CB 0.161 40.992 40.800 0.051 0.000 0.989 614 D HN 0.399 nan 8.370 nan 0.000 0.469 615 R N 0.073 120.600 120.500 0.046 0.000 2.628 615 R HA 0.530 4.871 4.340 0.002 0.000 0.288 615 R C -1.236 175.079 176.300 0.025 0.000 0.980 615 R CA -0.789 55.320 56.100 0.015 0.000 0.891 615 R CB 2.435 32.753 30.300 0.028 0.000 1.188 615 R HN -0.086 nan 8.270 nan 0.000 0.450 616 L N 2.749 123.948 121.223 -0.040 0.000 2.349 616 L HA 0.444 4.785 4.340 0.002 0.000 0.278 616 L C -1.732 175.112 176.870 -0.045 0.000 0.996 616 L CA -0.524 54.322 54.840 0.009 0.000 0.825 616 L CB 1.087 43.141 42.059 -0.008 0.000 1.243 616 L HN 0.531 nan 8.230 nan 0.000 0.412 617 Y N 5.354 125.726 120.300 0.120 0.000 2.417 617 Y HA 0.341 4.892 4.550 0.002 0.000 0.336 617 Y C -0.489 175.538 175.900 0.211 0.000 0.961 617 Y CA -0.138 58.062 58.100 0.166 0.000 1.215 617 Y CB 1.078 39.574 38.460 0.060 0.000 1.120 617 Y HN 0.551 nan 8.280 nan 0.000 0.499 618 F N 4.887 125.034 119.950 0.327 0.000 2.567 618 F HA 0.313 4.841 4.527 0.002 0.000 0.352 618 F C -0.188 175.760 175.800 0.246 0.000 1.229 618 F CA -0.254 57.913 58.000 0.279 0.000 1.228 618 F CB -0.235 38.998 39.000 0.388 0.000 1.568 618 F HN 0.408 nan 8.300 nan 0.000 0.634 619 E N 4.310 124.647 120.200 0.228 0.000 2.393 619 E HA 0.368 4.719 4.350 0.002 0.000 0.273 619 E C -2.737 173.917 176.600 0.089 0.000 0.918 619 E CA -2.375 54.158 56.400 0.222 0.000 0.773 619 E CB 1.567 31.425 29.700 0.263 0.000 1.275 619 E HN 0.101 nan 8.360 nan 0.000 0.451 620 P HA 0.030 nan 4.420 nan 0.000 0.268 620 P C -0.060 177.260 177.300 0.032 0.000 1.204 620 P CA -0.113 63.018 63.100 0.052 0.000 0.768 620 P CB 0.368 32.106 31.700 0.063 0.000 0.842 621 V N 3.832 123.747 119.914 0.001 0.000 2.153 621 V HA 0.148 4.269 4.120 0.002 0.000 0.250 621 V C 0.943 177.037 176.094 -0.001 0.000 1.334 621 V CA 0.255 62.551 62.300 -0.007 0.000 1.249 621 V CB -1.255 30.552 31.823 -0.027 0.000 1.371 621 V HN 0.690 nan 8.190 nan 0.000 0.498 622 T N -0.143 114.420 114.554 0.014 0.000 2.907 622 T HA 0.557 4.908 4.350 0.002 0.000 0.290 622 T C 0.666 175.375 174.700 0.015 0.000 1.066 622 T CA -0.686 61.423 62.100 0.015 0.000 1.012 622 T CB 2.108 70.994 68.868 0.030 0.000 1.184 622 T HN 0.103 nan 8.240 nan 0.000 0.522 623 L N 0.775 122.005 121.223 0.012 0.000 2.017 623 L HA 0.040 4.381 4.340 0.002 0.000 0.208 623 L C 2.692 179.578 176.870 0.026 0.000 1.073 623 L CA 2.357 57.204 54.840 0.012 0.000 0.745 623 L CB -0.815 41.248 42.059 0.008 0.000 0.894 623 L HN 0.994 nan 8.230 nan 0.000 0.432 624 E N -0.669 119.556 120.200 0.041 0.000 2.038 624 E HA -0.275 4.076 4.350 0.002 0.000 0.195 624 E C 1.726 178.373 176.600 0.078 0.000 1.000 624 E CA 1.871 58.309 56.400 0.063 0.000 0.803 624 E CB -0.246 29.499 29.700 0.075 0.000 0.750 624 E HN 0.626 nan 8.360 nan 0.000 0.448 625 D N 0.100 120.546 120.400 0.077 0.000 2.144 625 D HA -0.130 4.511 4.640 0.002 0.000 0.199 625 D C 2.143 178.478 176.300 0.059 0.000 0.984 625 D CA 1.091 55.148 54.000 0.095 0.000 0.834 625 D CB 0.051 40.916 40.800 0.108 0.000 0.955 625 D HN 0.170 nan 8.370 nan 0.000 0.465 626 V N 1.493 121.419 119.914 0.020 0.000 2.453 626 V HA -0.170 3.951 4.120 0.002 0.000 0.247 626 V C 2.620 178.692 176.094 -0.037 0.000 1.048 626 V CA 0.871 63.154 62.300 -0.028 0.000 1.049 626 V CB -0.340 31.464 31.823 -0.032 0.000 0.672 626 V HN 0.178 nan 8.190 nan 0.000 0.457 627 L N -0.382 120.840 121.223 -0.001 0.000 2.131 627 L HA -0.126 4.215 4.340 0.002 0.000 0.210 627 L C 2.708 179.583 176.870 0.008 0.000 1.092 627 L CA 1.208 56.048 54.840 0.001 0.000 0.759 627 L CB -0.535 41.540 42.059 0.026 0.000 0.903 627 L HN 0.354 nan 8.230 nan 0.000 0.435 628 E N 0.252 120.483 120.200 0.052 0.000 2.106 628 E HA -0.171 4.180 4.350 0.002 0.000 0.192 628 E C 2.244 178.857 176.600 0.022 0.000 0.984 628 E CA 1.204 57.664 56.400 0.100 0.000 0.806 628 E CB -0.105 29.715 29.700 0.199 0.000 0.750 628 E HN 0.542 nan 8.360 nan 0.000 0.458 629 I N 0.475 120.980 120.570 -0.109 0.000 2.286 629 I HA -0.203 3.968 4.170 0.002 0.000 0.245 629 I C 2.441 178.377 176.117 -0.301 0.000 1.104 629 I CA 0.517 61.566 61.300 -0.419 0.000 1.397 629 I CB -0.207 37.347 38.000 -0.743 0.000 1.072 629 I HN -0.102 nan 8.210 nan 0.000 0.417 630 V N 1.011 120.814 119.914 -0.185 0.000 2.287 630 V HA -0.326 3.795 4.120 0.002 0.000 0.248 630 V C 2.663 178.696 176.094 -0.101 0.000 1.053 630 V CA 2.194 64.416 62.300 -0.130 0.000 1.027 630 V CB -0.799 30.972 31.823 -0.087 0.000 0.646 630 V HN 0.443 nan 8.190 nan 0.000 0.447 631 R N 0.673 121.123 120.500 -0.083 0.000 2.140 631 R HA -0.245 4.096 4.340 0.002 0.000 0.250 631 R C 2.161 178.410 176.300 -0.085 0.000 1.150 631 R CA 2.781 58.834 56.100 -0.079 0.000 0.966 631 R CB -0.430 29.818 30.300 -0.087 0.000 0.869 631 R HN 0.729 nan 8.270 nan 0.000 0.445 632 I N -2.750 117.766 120.570 -0.090 0.000 3.081 632 I HA 0.123 4.294 4.170 0.002 0.000 0.274 632 I C 1.445 177.519 176.117 -0.071 0.000 1.178 632 I CA 0.545 61.803 61.300 -0.071 0.000 1.460 632 I CB -0.013 37.962 38.000 -0.042 0.000 1.137 632 I HN -0.038 nan 8.210 nan 0.000 0.443 633 E N 1.875 122.012 120.200 -0.106 0.000 2.170 633 E HA -0.048 4.303 4.350 0.002 0.000 0.191 633 E C 0.144 176.716 176.600 -0.047 0.000 0.981 633 E CA 0.317 56.674 56.400 -0.072 0.000 0.830 633 E CB -0.111 29.533 29.700 -0.094 0.000 0.775 633 E HN 0.468 nan 8.360 nan 0.000 0.470 634 K N 1.142 121.508 120.400 -0.056 0.000 3.653 634 K HA -0.138 4.183 4.320 0.002 0.000 0.275 634 K C -2.492 174.092 176.600 -0.027 0.000 0.962 634 K CA 0.235 56.499 56.287 -0.038 0.000 0.773 634 K CB -1.073 31.411 32.500 -0.027 0.000 1.463 634 K HN 0.222 nan 8.250 nan 0.000 0.450 635 P HA -0.025 nan 4.420 nan 0.000 0.273 635 P C 0.336 177.627 177.300 -0.015 0.000 1.250 635 P CA -0.276 62.809 63.100 -0.024 0.000 0.793 635 P CB 0.903 32.577 31.700 -0.043 0.000 1.011 636 K N -0.296 120.102 120.400 -0.002 0.000 2.076 636 K HA 0.100 4.421 4.320 0.002 0.000 0.204 636 K C 0.804 177.388 176.600 -0.027 0.000 1.051 636 K CA 1.134 57.423 56.287 0.004 0.000 0.949 636 K CB -0.304 32.225 32.500 0.049 0.000 0.726 636 K HN 0.705 nan 8.250 nan 0.000 0.443 637 G N -0.270 108.495 108.800 -0.058 0.000 2.692 637 G HA2 0.484 4.445 3.960 0.002 0.000 0.291 637 G HA3 0.484 4.445 3.960 0.002 0.000 0.291 637 G C -1.863 172.980 174.900 -0.095 0.000 1.423 637 G CA -0.632 44.420 45.100 -0.079 0.000 0.843 637 G HN -0.033 nan 8.290 nan 0.000 0.486 638 V N 1.058 120.916 119.914 -0.093 0.000 2.588 638 V HA 0.490 4.611 4.120 0.002 0.000 0.304 638 V C -0.276 175.749 176.094 -0.116 0.000 1.042 638 V CA -0.623 61.620 62.300 -0.096 0.000 0.877 638 V CB 1.721 33.499 31.823 -0.075 0.000 0.996 638 V HN 0.643 nan 8.190 nan 0.000 0.425 639 I N 4.884 125.369 120.570 -0.142 0.000 2.321 639 I HA 0.297 4.468 4.170 0.002 0.000 0.291 639 I C 0.737 176.778 176.117 -0.127 0.000 0.998 639 I CA -0.313 60.874 61.300 -0.188 0.000 1.227 639 I CB 1.771 39.585 38.000 -0.310 0.000 1.368 639 I HN 0.598 nan 8.210 nan 0.000 0.466 640 V N 1.927 121.787 119.914 -0.090 0.000 3.477 640 V HA 0.172 4.293 4.120 0.002 0.000 0.297 640 V C 1.042 177.138 176.094 0.003 0.000 1.433 640 V CA 0.146 62.422 62.300 -0.040 0.000 1.052 640 V CB 0.095 31.895 31.823 -0.038 0.000 0.895 640 V HN 0.757 nan 8.190 nan 0.000 0.438 641 Q N -0.600 119.211 119.800 0.018 0.000 2.403 641 Q HA 0.272 4.613 4.340 0.002 0.000 0.203 641 Q C 1.202 177.459 176.000 0.428 0.000 0.932 641 Q CA 0.826 56.721 55.803 0.153 0.000 0.945 641 Q CB -0.037 28.785 28.738 0.140 0.000 1.045 641 Q HN 0.763 nan 8.270 nan 0.000 0.511 642 Y N -1.701 118.624 120.300 0.042 0.000 2.430 642 Y HA 0.386 4.937 4.550 0.002 0.000 0.248 642 Y C 1.753 177.727 175.900 0.123 0.000 1.108 642 Y CA -0.221 57.937 58.100 0.097 0.000 1.264 642 Y CB 0.346 38.853 38.460 0.078 0.000 1.172 642 Y HN 0.052 nan 8.280 nan 0.000 0.520 643 G N -0.285 108.627 108.800 0.188 0.000 3.448 643 G HA2 0.438 4.399 3.960 0.002 0.000 0.261 643 G HA3 0.438 4.399 3.960 0.002 0.000 0.261 643 G C 0.919 175.751 174.900 -0.113 0.000 1.173 643 G CA 0.392 45.542 45.100 0.084 0.000 0.835 643 G HN 0.546 nan 8.290 nan 0.000 0.534 644 G N 0.140 108.763 108.800 -0.295 0.000 2.584 644 G HA2 -0.283 3.678 3.960 0.002 0.000 0.229 644 G HA3 -0.283 3.678 3.960 0.002 0.000 0.229 644 G C 0.817 175.504 174.900 -0.354 0.000 1.320 644 G CA 0.207 44.880 45.100 -0.712 0.000 0.891 644 G HN 0.160 nan 8.290 nan 0.000 0.573 645 Q N -0.387 119.210 119.800 -0.338 0.000 2.084 645 Q HA -0.043 4.298 4.340 0.002 0.000 0.202 645 Q C 2.986 178.908 176.000 -0.131 0.000 0.978 645 Q CA 2.343 58.029 55.803 -0.194 0.000 0.844 645 Q CB -1.184 27.455 28.738 -0.165 0.000 0.898 645 Q HN 0.753 nan 8.270 nan 0.000 0.426 646 T N 2.041 116.518 114.554 -0.129 0.000 2.469 646 T HA -0.178 4.173 4.350 0.002 0.000 0.254 646 T C -1.084 173.577 174.700 -0.065 0.000 1.214 646 T CA 2.441 64.491 62.100 -0.084 0.000 1.202 646 T CB -1.356 67.466 68.868 -0.077 0.000 0.864 646 T HN 0.276 nan 8.240 nan 0.000 0.408 647 P HA 0.007 nan 4.420 nan 0.000 0.221 647 P C 1.567 178.842 177.300 -0.042 0.000 1.145 647 P CA 0.678 63.753 63.100 -0.042 0.000 0.795 647 P CB -0.193 31.490 31.700 -0.028 0.000 0.775 648 L N -0.043 121.148 121.223 -0.054 0.000 2.056 648 L HA -0.075 4.266 4.340 0.002 0.000 0.207 648 L C 2.250 179.094 176.870 -0.043 0.000 1.078 648 L CA 1.938 56.750 54.840 -0.048 0.000 0.749 648 L CB -0.922 41.098 42.059 -0.065 0.000 0.901 648 L HN -0.173 nan 8.230 nan 0.000 0.433 649 K N -1.082 119.289 120.400 -0.048 0.000 2.365 649 K HA -0.040 4.281 4.320 0.002 0.000 0.199 649 K C 1.870 178.451 176.600 -0.031 0.000 1.045 649 K CA 0.733 56.996 56.287 -0.040 0.000 0.962 649 K CB -0.008 32.466 32.500 -0.044 0.000 0.759 649 K HN 0.329 nan 8.250 nan 0.000 0.469 650 L N -0.198 121.007 121.223 -0.030 0.000 2.307 650 L HA 0.021 4.362 4.340 0.002 0.000 0.211 650 L C 2.416 179.272 176.870 -0.023 0.000 1.099 650 L CA 0.275 55.101 54.840 -0.024 0.000 0.816 650 L CB -0.479 41.565 42.059 -0.025 0.000 0.952 650 L HN 0.129 nan 8.230 nan 0.000 0.455 651 A N 0.919 123.724 122.820 -0.026 0.000 1.894 651 A HA -0.352 3.969 4.320 0.002 0.000 0.220 651 A C 2.344 179.916 177.584 -0.020 0.000 1.237 651 A CA 2.496 54.518 52.037 -0.024 0.000 0.660 651 A CB -0.660 18.325 19.000 -0.024 0.000 0.835 651 A HN 0.309 nan 8.150 nan 0.000 0.461 652 R N -0.967 119.522 120.500 -0.018 0.000 2.082 652 R HA -0.104 4.237 4.340 0.002 0.000 0.234 652 R C 2.531 178.822 176.300 -0.014 0.000 1.136 652 R CA 1.790 57.881 56.100 -0.015 0.000 0.935 652 R CB -0.593 29.698 30.300 -0.014 0.000 0.842 652 R HN 0.530 nan 8.270 nan 0.000 0.430 653 A N 0.529 123.341 122.820 -0.013 0.000 1.917 653 A HA -0.186 4.135 4.320 0.002 0.000 0.219 653 A C 2.189 179.767 177.584 -0.011 0.000 1.182 653 A CA 1.473 53.503 52.037 -0.011 0.000 0.633 653 A CB -0.688 18.306 19.000 -0.009 0.000 0.819 653 A HN 0.309 nan 8.150 nan 0.000 0.448 654 L N -1.043 120.171 121.223 -0.015 0.000 2.017 654 L HA -0.227 4.114 4.340 0.002 0.000 0.208 654 L C 2.689 179.548 176.870 -0.017 0.000 1.073 654 L CA 1.968 56.798 54.840 -0.018 0.000 0.745 654 L CB -0.453 41.591 42.059 -0.024 0.000 0.894 654 L HN 0.586 nan 8.230 nan 0.000 0.432 655 E N 0.060 120.250 120.200 -0.017 0.000 2.031 655 E HA -0.261 4.090 4.350 0.002 0.000 0.193 655 E C 2.244 178.837 176.600 -0.012 0.000 0.994 655 E CA 1.180 57.571 56.400 -0.015 0.000 0.800 655 E CB -0.063 29.629 29.700 -0.014 0.000 0.752 655 E HN 0.444 nan 8.360 nan 0.000 0.447 656 A N 1.254 124.068 122.820 -0.010 0.000 1.903 656 A HA -0.204 4.117 4.320 0.002 0.000 0.219 656 A C 2.289 179.869 177.584 -0.006 0.000 1.191 656 A CA 2.085 54.117 52.037 -0.007 0.000 0.638 656 A CB -0.869 18.127 19.000 -0.007 0.000 0.823 656 A HN 0.402 nan 8.150 nan 0.000 0.451 657 A N -1.890 120.926 122.820 -0.007 0.000 2.252 657 A HA 0.403 4.724 4.320 0.002 0.000 0.207 657 A C 1.735 179.315 177.584 -0.007 0.000 1.194 657 A CA 1.195 53.230 52.037 -0.005 0.000 0.809 657 A CB -1.208 17.791 19.000 -0.002 0.000 0.814 657 A HN 2.066 nan 8.150 nan 0.000 0.482 658 G N -1.721 107.073 108.800 -0.010 0.000 2.141 658 G HA2 -0.195 3.766 3.960 0.002 0.000 0.242 658 G HA3 -0.195 3.766 3.960 0.002 0.000 0.242 658 G C 0.143 175.033 174.900 -0.017 0.000 0.982 658 G CA 0.057 45.150 45.100 -0.012 0.000 0.662 658 G HN 0.790 nan 8.290 nan 0.000 0.527 659 V N 1.611 121.512 119.914 -0.020 0.000 2.686 659 V HA 0.424 4.545 4.120 0.002 0.000 0.295 659 V C -1.276 174.801 176.094 -0.028 0.000 1.055 659 V CA -1.041 61.242 62.300 -0.028 0.000 1.050 659 V CB 1.335 33.138 31.823 -0.033 0.000 0.984 659 V HN 0.184 nan 8.190 nan 0.000 0.482 660 P HA 0.197 nan 4.420 nan 0.000 0.238 660 P C -0.441 176.833 177.300 -0.042 0.000 1.794 660 P CA -0.116 62.965 63.100 -0.032 0.000 1.088 660 P CB 0.075 31.757 31.700 -0.031 0.000 1.923 661 V N 4.794 124.685 119.914 -0.039 0.000 2.555 661 V HA 0.137 4.258 4.120 0.002 0.000 0.286 661 V C 1.175 177.240 176.094 -0.049 0.000 1.044 661 V CA -0.309 61.962 62.300 -0.047 0.000 1.026 661 V CB 0.321 32.120 31.823 -0.039 0.000 0.981 661 V HN 0.343 nan 8.190 nan 0.000 0.480 662 I N 1.901 122.429 120.570 -0.069 0.000 2.822 662 I HA 1.023 5.194 4.170 0.002 0.000 0.312 662 I C 0.634 176.708 176.117 -0.072 0.000 1.011 662 I CA -0.123 61.134 61.300 -0.072 0.000 1.105 662 I CB 1.601 39.544 38.000 -0.096 0.000 1.291 662 I HN 0.919 nan 8.210 nan 0.000 0.474 663 G N 2.795 111.563 108.800 -0.054 0.000 2.642 663 G HA2 -0.187 3.774 3.960 0.002 0.000 0.231 663 G HA3 -0.187 3.774 3.960 0.002 0.000 0.231 663 G C -0.140 174.751 174.900 -0.014 0.000 1.338 663 G CA -0.332 44.746 45.100 -0.036 0.000 0.883 663 G HN 0.984 nan 8.290 nan 0.000 0.570 664 T N 1.352 115.907 114.554 0.001 0.000 2.800 664 T HA 0.376 4.727 4.350 0.002 0.000 0.283 664 T C 1.388 176.089 174.700 0.002 0.000 0.999 664 T CA 0.998 63.104 62.100 0.010 0.000 1.176 664 T CB 0.118 68.999 68.868 0.020 0.000 0.973 664 T HN 1.911 nan 8.240 nan 0.000 0.519 665 S N 4.575 120.278 115.700 0.005 0.000 2.566 665 S HA 0.091 4.562 4.470 0.002 0.000 0.280 665 S C -1.527 173.072 174.600 -0.002 0.000 1.343 665 S CA -1.177 57.023 58.200 0.000 0.000 1.036 665 S CB 0.637 63.841 63.200 0.006 0.000 0.866 665 S HN 0.345 nan 8.310 nan 0.000 0.526 666 P HA -0.074 nan 4.420 nan 0.000 0.218 666 P C 0.970 178.267 177.300 -0.006 0.000 1.148 666 P CA 1.512 64.606 63.100 -0.009 0.000 0.822 666 P CB -0.115 31.578 31.700 -0.012 0.000 0.784 667 D N -0.337 120.062 120.400 -0.001 0.000 2.097 667 D HA -0.139 4.501 4.640 0.002 0.000 0.197 667 D C 1.961 178.266 176.300 0.008 0.000 0.984 667 D CA 1.375 55.376 54.000 0.002 0.000 0.826 667 D CB -0.559 40.244 40.800 0.005 0.000 0.973 667 D HN -0.057 nan 8.370 nan 0.000 0.460 668 A N 0.121 122.948 122.820 0.012 0.000 1.940 668 A HA -0.153 4.168 4.320 0.002 0.000 0.219 668 A C 2.361 179.954 177.584 0.015 0.000 1.176 668 A CA 1.230 53.280 52.037 0.021 0.000 0.631 668 A CB -0.836 18.178 19.000 0.024 0.000 0.814 668 A HN 0.428 nan 8.150 nan 0.000 0.446 669 I N -0.756 119.816 120.570 0.003 0.000 2.252 669 I HA -0.214 3.957 4.170 0.002 0.000 0.245 669 I C 2.233 178.341 176.117 -0.016 0.000 1.102 669 I CA 1.806 63.101 61.300 -0.008 0.000 1.385 669 I CB -0.313 37.680 38.000 -0.012 0.000 1.064 669 I HN 0.385 nan 8.210 nan 0.000 0.414 670 D N 0.639 121.033 120.400 -0.010 0.000 2.144 670 D HA -0.185 4.456 4.640 0.002 0.000 0.199 670 D C 2.378 178.677 176.300 -0.002 0.000 0.984 670 D CA 1.059 55.052 54.000 -0.012 0.000 0.834 670 D CB 0.082 40.876 40.800 -0.010 0.000 0.955 670 D HN 0.012 nan 8.370 nan 0.000 0.465 671 R N -0.129 120.380 120.500 0.016 0.000 2.083 671 R HA -0.140 4.201 4.340 0.002 0.000 0.237 671 R C 2.145 178.492 176.300 0.079 0.000 1.137 671 R CA 1.347 57.475 56.100 0.048 0.000 0.951 671 R CB -0.429 29.907 30.300 0.061 0.000 0.851 671 R HN 0.262 nan 8.270 nan 0.000 0.434 672 A N 1.141 123.977 122.820 0.027 0.000 1.854 672 A HA -0.122 4.199 4.320 0.002 0.000 0.214 672 A C 1.897 179.364 177.584 -0.196 0.000 1.192 672 A CA 1.109 53.103 52.037 -0.071 0.000 0.611 672 A CB -0.261 18.684 19.000 -0.092 0.000 0.832 672 A HN 0.246 nan 8.150 nan 0.000 0.442 673 E N 0.401 120.531 120.200 -0.117 0.000 2.204 673 E HA -0.134 4.217 4.350 0.002 0.000 0.194 673 E C -0.178 176.381 176.600 -0.068 0.000 0.989 673 E CA 0.671 57.003 56.400 -0.113 0.000 0.824 673 E CB -0.408 29.247 29.700 -0.076 0.000 0.756 673 E HN 0.641 nan 8.360 nan 0.000 0.477 674 D N 0.337 120.724 120.400 -0.022 0.000 2.352 674 D HA 0.059 4.700 4.640 0.002 0.000 0.245 674 D C 0.873 177.213 176.300 0.066 0.000 1.224 674 D CA -0.157 53.848 54.000 0.009 0.000 0.879 674 D CB 0.600 41.401 40.800 0.002 0.000 1.057 674 D HN -0.273 nan 8.370 nan 0.000 0.491 675 R N 2.053 122.591 120.500 0.063 0.000 2.170 675 R HA -0.153 4.188 4.340 0.002 0.000 0.242 675 R C 1.522 177.920 176.300 0.163 0.000 1.145 675 R CA 1.184 57.365 56.100 0.136 0.000 0.984 675 R CB -0.046 30.310 30.300 0.094 0.000 0.869 675 R HN 0.603 nan 8.270 nan 0.000 0.455 676 E N -0.355 119.896 120.200 0.085 0.000 2.008 676 E HA -0.090 4.261 4.350 0.002 0.000 0.191 676 E C 1.961 178.559 176.600 -0.003 0.000 0.986 676 E CA 0.576 57.002 56.400 0.044 0.000 0.807 676 E CB 0.076 29.762 29.700 -0.023 0.000 0.766 676 E HN 0.184 nan 8.360 nan 0.000 0.450 677 R N 0.241 120.711 120.500 -0.049 0.000 2.112 677 R HA -0.220 4.121 4.340 0.002 0.000 0.242 677 R C 2.348 178.714 176.300 0.109 0.000 1.137 677 R CA 1.506 57.571 56.100 -0.058 0.000 0.944 677 R CB -1.038 29.259 30.300 -0.006 0.000 0.857 677 R HN 0.222 nan 8.270 nan 0.000 0.435 678 F N 2.250 122.202 119.950 0.003 0.000 2.027 678 F HA -0.307 4.221 4.527 0.002 0.000 0.297 678 F C 2.747 178.595 175.800 0.080 0.000 1.129 678 F CA 2.080 60.100 58.000 0.032 0.000 1.195 678 F CB -0.840 38.168 39.000 0.013 0.000 0.960 678 F HN 0.079 nan 8.300 nan 0.000 0.485 679 Q N -1.090 118.736 119.800 0.042 0.000 2.290 679 Q HA -0.303 4.038 4.340 0.002 0.000 0.211 679 Q C 1.950 177.954 176.000 0.007 0.000 0.991 679 Q CA 2.127 57.903 55.803 -0.044 0.000 0.893 679 Q CB -0.324 28.467 28.738 0.088 0.000 0.913 679 Q HN 0.604 nan 8.270 nan 0.000 0.428 680 H N -1.230 117.784 119.070 -0.093 0.000 2.448 680 H HA 0.116 4.673 4.556 0.002 0.000 0.292 680 H C 1.721 176.996 175.328 -0.089 0.000 1.035 680 H CA 1.193 57.200 56.048 -0.068 0.000 1.349 680 H CB -0.086 29.663 29.762 -0.022 0.000 1.425 680 H HN 0.373 nan 8.280 nan 0.000 0.539 681 A N 0.208 123.045 122.820 0.028 0.000 1.929 681 A HA -0.063 4.258 4.320 0.002 0.000 0.216 681 A C 2.479 179.991 177.584 -0.121 0.000 1.176 681 A CA 1.277 53.299 52.037 -0.025 0.000 0.628 681 A CB -0.644 18.371 19.000 0.025 0.000 0.816 681 A HN 0.222 nan 8.150 nan 0.000 0.444 682 V N -0.013 119.728 119.914 -0.289 0.000 2.307 682 V HA -0.258 3.863 4.120 0.002 0.000 0.245 682 V C 2.430 178.426 176.094 -0.163 0.000 1.045 682 V CA 2.215 64.339 62.300 -0.294 0.000 1.024 682 V CB -0.803 30.735 31.823 -0.475 0.000 0.651 682 V HN 0.618 nan 8.190 nan 0.000 0.449 683 E N -0.000 120.106 120.200 -0.157 0.000 2.033 683 E HA -0.320 4.031 4.350 0.002 0.000 0.199 683 E C 2.405 178.952 176.600 -0.088 0.000 1.011 683 E CA 1.771 58.097 56.400 -0.125 0.000 0.815 683 E CB -0.190 29.411 29.700 -0.164 0.000 0.755 683 E HN 0.324 nan 8.360 nan 0.000 0.451 684 R N 0.992 121.452 120.500 -0.066 0.000 2.113 684 R HA -0.169 4.172 4.340 0.002 0.000 0.244 684 R C 2.070 178.355 176.300 -0.026 0.000 1.142 684 R CA 1.593 57.674 56.100 -0.031 0.000 0.953 684 R CB -0.620 29.681 30.300 0.002 0.000 0.860 684 R HN 0.203 nan 8.270 nan 0.000 0.438 685 L N 0.169 121.374 121.223 -0.030 0.000 2.554 685 L HA 0.144 4.485 4.340 0.002 0.000 0.226 685 L C 0.300 177.155 176.870 -0.024 0.000 1.137 685 L CA 0.330 55.161 54.840 -0.015 0.000 0.863 685 L CB -0.263 41.795 42.059 -0.002 0.000 0.985 685 L HN 0.208 nan 8.230 nan 0.000 0.451 686 K N 0.865 121.238 120.400 -0.044 0.000 3.162 686 K HA -0.139 4.182 4.320 0.002 0.000 0.268 686 K C -0.632 175.939 176.600 -0.048 0.000 1.062 686 K CA 0.296 56.554 56.287 -0.048 0.000 0.769 686 K CB -1.619 30.859 32.500 -0.037 0.000 1.274 686 K HN 0.258 nan 8.250 nan 0.000 0.478 687 L N -0.112 121.076 121.223 -0.058 0.000 2.331 687 L HA 0.461 4.802 4.340 0.002 0.000 0.268 687 L C 0.586 177.412 176.870 -0.073 0.000 1.015 687 L CA -1.137 53.672 54.840 -0.051 0.000 0.807 687 L CB 1.235 43.281 42.059 -0.021 0.000 1.293 687 L HN -0.012 nan 8.230 nan 0.000 0.451 688 K N 1.686 122.040 120.400 -0.078 0.000 2.201 688 K HA 0.388 4.709 4.320 0.002 0.000 0.278 688 K C -1.031 175.560 176.600 -0.014 0.000 1.027 688 K CA -0.302 55.916 56.287 -0.114 0.000 0.909 688 K CB 1.597 33.914 32.500 -0.306 0.000 1.062 688 K HN 0.512 nan 8.250 nan 0.000 0.465 689 Q N 3.066 122.890 119.800 0.040 0.000 2.389 689 Q HA 0.386 4.727 4.340 0.002 0.000 0.277 689 Q C -2.515 173.607 176.000 0.203 0.000 1.082 689 Q CA -2.081 53.794 55.803 0.120 0.000 0.810 689 Q CB 2.311 31.058 28.738 0.016 0.000 1.374 689 Q HN 0.338 nan 8.270 nan 0.000 0.422 690 P HA 0.062 nan 4.420 nan 0.000 0.269 690 P C -1.288 176.084 177.300 0.120 0.000 1.209 690 P CA -0.035 63.172 63.100 0.178 0.000 0.776 690 P CB 0.465 32.215 31.700 0.084 0.000 0.876 691 A N 2.968 125.850 122.820 0.103 0.000 2.520 691 A HA 0.320 4.641 4.320 0.002 0.000 0.245 691 A C 0.349 177.963 177.584 0.050 0.000 1.072 691 A CA 0.104 52.171 52.037 0.050 0.000 0.761 691 A CB -0.912 18.089 19.000 0.002 0.000 1.004 691 A HN 0.751 nan 8.150 nan 0.000 0.499 692 N N 0.245 118.966 118.700 0.035 0.000 2.357 692 N HA 0.810 5.551 4.740 0.002 0.000 0.284 692 N C -0.804 174.721 175.510 0.024 0.000 1.236 692 N CA -0.115 52.956 53.050 0.034 0.000 0.774 692 N CB 1.973 40.491 38.487 0.051 0.000 1.534 692 N HN 0.819 nan 8.380 nan 0.000 0.478 693 A N -0.467 122.368 122.820 0.025 0.000 2.566 693 A HA 0.828 5.149 4.320 0.002 0.000 0.292 693 A C -1.299 176.307 177.584 0.037 0.000 1.112 693 A CA -0.729 51.324 52.037 0.026 0.000 0.707 693 A CB 1.381 20.390 19.000 0.016 0.000 1.302 693 A HN 0.627 nan 8.150 nan 0.000 0.409 694 T N 1.375 115.953 114.554 0.041 0.000 3.064 694 T HA 0.459 4.810 4.350 0.002 0.000 0.367 694 T C -0.647 174.083 174.700 0.051 0.000 1.202 694 T CA -0.214 61.916 62.100 0.048 0.000 1.133 694 T CB 0.416 69.312 68.868 0.047 0.000 1.074 694 T HN 0.509 nan 8.240 nan 0.000 0.519 695 V N 3.360 123.315 119.914 0.068 0.000 2.546 695 V HA 0.246 4.367 4.120 0.002 0.000 0.284 695 V C 1.359 177.501 176.094 0.081 0.000 1.050 695 V CA -0.083 62.261 62.300 0.073 0.000 0.981 695 V CB 1.327 33.212 31.823 0.103 0.000 0.990 695 V HN 0.912 nan 8.190 nan 0.000 0.474 696 T N 2.292 116.873 114.554 0.046 0.000 2.980 696 T HA 0.311 4.662 4.350 0.002 0.000 0.239 696 T C 0.701 175.413 174.700 0.019 0.000 1.011 696 T CA 0.709 62.832 62.100 0.039 0.000 1.171 696 T CB 0.182 69.063 68.868 0.021 0.000 0.873 696 T HN 0.761 nan 8.240 nan 0.000 0.431 697 A N 0.233 123.036 122.820 -0.029 0.000 2.281 697 A HA 0.680 5.001 4.320 0.002 0.000 0.329 697 A C 1.007 178.449 177.584 -0.238 0.000 1.122 697 A CA -0.653 51.325 52.037 -0.097 0.000 0.850 697 A CB 0.327 19.281 19.000 -0.077 0.000 1.207 697 A HN 0.159 nan 8.150 nan 0.000 0.495 698 I N 0.644 120.977 120.570 -0.396 0.000 2.052 698 I HA -0.226 3.945 4.170 0.002 0.000 0.235 698 I C 2.126 177.995 176.117 -0.414 0.000 1.046 698 I CA 1.780 62.639 61.300 -0.736 0.000 1.308 698 I CB -0.484 37.185 38.000 -0.552 0.000 1.031 698 I HN 0.693 nan 8.210 nan 0.000 0.395 699 E N -0.155 119.913 120.200 -0.220 0.000 2.396 699 E HA -0.239 4.112 4.350 0.002 0.000 0.200 699 E C 2.102 178.660 176.600 -0.071 0.000 1.023 699 E CA 1.036 57.371 56.400 -0.110 0.000 0.857 699 E CB -0.496 29.161 29.700 -0.072 0.000 0.775 699 E HN 0.572 nan 8.360 nan 0.000 0.525 700 M N -0.281 119.268 119.600 -0.085 0.000 2.334 700 M HA 0.009 4.490 4.480 0.002 0.000 0.266 700 M C 2.070 178.360 176.300 -0.016 0.000 1.082 700 M CA 0.964 56.239 55.300 -0.041 0.000 1.141 700 M CB 0.127 32.704 32.600 -0.039 0.000 1.380 700 M HN 0.106 nan 8.290 nan 0.000 0.440 701 A N -0.345 122.456 122.820 -0.032 0.000 1.874 701 A HA -0.066 4.255 4.320 0.002 0.000 0.214 701 A C 1.908 179.536 177.584 0.073 0.000 1.189 701 A CA 1.394 53.462 52.037 0.051 0.000 0.615 701 A CB -0.999 18.080 19.000 0.132 0.000 0.830 701 A HN 0.342 nan 8.150 nan 0.000 0.443 702 V N 0.395 120.344 119.914 0.058 0.000 2.380 702 V HA -0.303 3.818 4.120 0.002 0.000 0.251 702 V C 2.468 178.622 176.094 0.100 0.000 1.063 702 V CA 2.598 64.967 62.300 0.115 0.000 1.055 702 V CB -0.980 30.892 31.823 0.081 0.000 0.657 702 V HN 0.720 nan 8.190 nan 0.000 0.455 703 E N 0.735 120.965 120.200 0.050 0.000 2.021 703 E HA -0.158 4.193 4.350 0.002 0.000 0.189 703 E C 2.150 178.767 176.600 0.028 0.000 0.980 703 E CA 1.061 57.484 56.400 0.038 0.000 0.803 703 E CB -0.293 29.418 29.700 0.018 0.000 0.766 703 E HN 0.270 nan 8.360 nan 0.000 0.449 704 K N 0.492 120.902 120.400 0.017 0.000 2.074 704 K HA -0.068 4.253 4.320 0.002 0.000 0.209 704 K C 1.890 178.477 176.600 -0.022 0.000 1.048 704 K CA 1.475 57.764 56.287 0.003 0.000 0.926 704 K CB -0.921 31.586 32.500 0.012 0.000 0.713 704 K HN 0.267 nan 8.250 nan 0.000 0.444 705 A N 0.279 123.084 122.820 -0.026 0.000 1.933 705 A HA -0.191 4.130 4.320 0.002 0.000 0.218 705 A C 2.040 179.533 177.584 -0.151 0.000 1.175 705 A CA 1.876 53.824 52.037 -0.149 0.000 0.628 705 A CB -0.367 18.530 19.000 -0.171 0.000 0.814 705 A HN 0.260 nan 8.150 nan 0.000 0.444 706 K N -0.190 120.229 120.400 0.031 0.000 2.057 706 K HA -0.131 4.190 4.320 0.002 0.000 0.207 706 K C 2.040 178.652 176.600 0.021 0.000 1.049 706 K CA 1.580 57.925 56.287 0.098 0.000 0.931 706 K CB -0.139 32.423 32.500 0.102 0.000 0.714 706 K HN 0.646 nan 8.250 nan 0.000 0.440 707 E N 0.272 120.467 120.200 -0.008 0.000 2.012 707 E HA -0.219 4.132 4.350 0.002 0.000 0.197 707 E C 1.999 178.564 176.600 -0.059 0.000 1.007 707 E CA 1.612 57.997 56.400 -0.025 0.000 0.816 707 E CB -0.127 29.561 29.700 -0.021 0.000 0.762 707 E HN 0.216 nan 8.360 nan 0.000 0.451 708 I N 0.020 120.541 120.570 -0.082 0.000 2.163 708 I HA -0.153 4.018 4.170 0.002 0.000 0.243 708 I C 1.103 177.109 176.117 -0.185 0.000 1.085 708 I CA 1.061 62.294 61.300 -0.113 0.000 1.347 708 I CB -0.319 37.626 38.000 -0.091 0.000 1.044 708 I HN 0.297 nan 8.210 nan 0.000 0.408 709 G N -0.546 108.150 108.800 -0.174 0.000 2.895 709 G HA2 -0.199 3.762 3.960 0.002 0.000 0.686 709 G HA3 -0.199 3.762 3.960 0.002 0.000 0.686 709 G C -0.782 174.121 174.900 0.005 0.000 1.108 709 G CA -0.978 44.061 45.100 -0.102 0.000 0.761 709 G HN 0.074 nan 8.290 nan 0.000 0.611 710 Y N 2.201 122.589 120.300 0.146 0.000 2.336 710 Y HA 0.493 5.044 4.550 0.002 0.000 0.331 710 Y C -0.916 175.098 175.900 0.190 0.000 1.211 710 Y CA -1.111 57.068 58.100 0.132 0.000 1.346 710 Y CB 0.613 39.123 38.460 0.082 0.000 1.271 710 Y HN 0.522 nan 8.280 nan 0.000 0.538 711 P HA 0.286 nan 4.420 nan 0.000 0.276 711 P C -1.289 175.944 177.300 -0.112 0.000 1.252 711 P CA -0.404 62.650 63.100 -0.077 0.000 0.802 711 P CB 1.073 32.477 31.700 -0.493 0.000 1.035 712 L N 0.833 121.952 121.223 -0.173 0.000 2.365 712 L HA 0.315 4.656 4.340 0.002 0.000 0.273 712 L C -0.384 176.367 176.870 -0.199 0.000 1.000 712 L CA -0.663 54.074 54.840 -0.171 0.000 0.819 712 L CB 2.261 44.189 42.059 -0.219 0.000 1.284 712 L HN 0.029 nan 8.230 nan 0.000 0.418 713 V N 4.831 124.665 119.914 -0.134 0.000 2.174 713 V HA 0.147 4.268 4.120 0.002 0.000 0.259 713 V C -0.147 175.856 176.094 -0.152 0.000 1.261 713 V CA -0.732 61.485 62.300 -0.140 0.000 1.137 713 V CB 0.583 32.384 31.823 -0.036 0.000 1.290 713 V HN 0.460 nan 8.190 nan 0.000 0.486 714 V N 3.927 123.689 119.914 -0.253 0.000 2.420 714 V HA 0.188 4.309 4.120 0.002 0.000 0.274 714 V C 0.716 176.690 176.094 -0.200 0.000 1.003 714 V CA 0.078 62.205 62.300 -0.288 0.000 1.092 714 V CB -0.634 30.839 31.823 -0.584 0.000 1.002 714 V HN 0.694 nan 8.190 nan 0.000 0.473 715 R N 5.207 125.648 120.500 -0.099 0.000 2.320 715 R HA 0.469 4.810 4.340 0.002 0.000 0.319 715 R C -1.709 174.584 176.300 -0.012 0.000 0.969 715 R CA -1.158 54.913 56.100 -0.047 0.000 0.857 715 R CB 1.951 32.237 30.300 -0.023 0.000 1.160 715 R HN 0.639 nan 8.270 nan 0.000 0.491 725 M N 1.414 121.001 119.600 -0.021 0.000 2.446 725 M HA 0.561 5.042 4.480 0.002 0.000 0.294 725 M C -0.511 175.741 176.300 -0.079 0.000 1.158 725 M CA -0.259 55.010 55.300 -0.051 0.000 0.899 725 M CB 2.590 35.172 32.600 -0.030 0.000 1.687 725 M HN 0.976 nan 8.290 nan 0.000 0.455 726 E N 2.209 122.307 120.200 -0.170 0.000 2.445 726 E HA 0.735 5.086 4.350 0.002 0.000 0.273 726 E C -1.771 174.671 176.600 -0.263 0.000 0.961 726 E CA -0.667 55.620 56.400 -0.190 0.000 0.807 726 E CB 2.432 32.055 29.700 -0.129 0.000 1.362 726 E HN 0.683 nan 8.360 nan 0.000 0.453 727 I N 2.668 123.095 120.570 -0.238 0.000 2.493 727 I HA 0.260 4.431 4.170 0.002 0.000 0.279 727 I C -0.946 175.059 176.117 -0.187 0.000 1.045 727 I CA -0.945 60.162 61.300 -0.321 0.000 1.106 727 I CB 1.723 39.405 38.000 -0.529 0.000 1.216 727 I HN 0.275 nan 8.210 nan 0.000 0.459 728 V N 6.104 125.909 119.914 -0.182 0.000 2.546 728 V HA 0.129 4.250 4.120 0.002 0.000 0.284 728 V C 0.210 176.350 176.094 0.076 0.000 1.050 728 V CA 0.044 62.353 62.300 0.016 0.000 0.981 728 V CB 1.050 32.877 31.823 0.006 0.000 0.990 728 V HN 0.573 nan 8.190 nan 0.000 0.474 729 Y N 1.141 121.510 120.300 0.116 0.000 2.522 729 Y HA 0.168 4.719 4.550 0.002 0.000 0.277 729 Y C 0.980 176.904 175.900 0.038 0.000 1.104 729 Y CA -0.036 58.145 58.100 0.135 0.000 1.260 729 Y CB 0.401 38.888 38.460 0.045 0.000 1.151 729 Y HN 0.829 nan 8.280 nan 0.000 0.539 730 D N -1.467 118.921 120.400 -0.020 0.000 2.592 730 D HA 0.073 4.714 4.640 0.002 0.000 0.263 730 D C 0.696 176.712 176.300 -0.474 0.000 1.132 730 D CA -0.538 53.148 54.000 -0.523 0.000 0.996 730 D CB 0.938 41.580 40.800 -0.263 0.000 1.442 730 D HN 0.067 nan 8.370 nan 0.000 0.486 731 E N 0.087 119.958 120.200 -0.548 0.000 2.070 731 E HA -0.258 4.093 4.350 0.002 0.000 0.197 731 E C 1.832 178.452 176.600 0.035 0.000 1.004 731 E CA 1.656 57.989 56.400 -0.110 0.000 0.805 731 E CB -0.218 29.440 29.700 -0.070 0.000 0.744 731 E HN 0.536 nan 8.360 nan 0.000 0.451 732 A N 0.801 123.614 122.820 -0.012 0.000 1.933 732 A HA -0.221 4.099 4.320 0.002 0.000 0.218 732 A C 1.753 179.382 177.584 0.074 0.000 1.175 732 A CA 1.968 54.024 52.037 0.031 0.000 0.628 732 A CB -0.516 18.485 19.000 0.003 0.000 0.814 732 A HN 0.283 nan 8.150 nan 0.000 0.444 733 D N -0.895 119.549 120.400 0.074 0.000 2.117 733 D HA -0.100 4.541 4.640 0.002 0.000 0.198 733 D C 1.798 178.215 176.300 0.195 0.000 0.982 733 D CA 0.737 54.811 54.000 0.124 0.000 0.828 733 D CB -0.099 40.785 40.800 0.141 0.000 0.967 733 D HN 0.245 nan 8.370 nan 0.000 0.464 734 L N 1.456 122.831 121.223 0.254 0.000 1.971 734 L HA -0.186 4.155 4.340 0.002 0.000 0.215 734 L C 2.006 179.174 176.870 0.496 0.000 1.072 734 L CA 1.788 56.853 54.840 0.375 0.000 0.758 734 L CB -0.775 41.562 42.059 0.462 0.000 0.889 734 L HN 0.035 nan 8.230 nan 0.000 0.433 735 R N -0.911 119.814 120.500 0.376 0.000 2.103 735 R HA -0.225 4.116 4.340 0.002 0.000 0.234 735 R C 2.270 178.742 176.300 0.287 0.000 1.132 735 R CA 1.528 57.829 56.100 0.334 0.000 0.925 735 R CB -0.934 29.469 30.300 0.171 0.000 0.842 735 R HN 0.340 nan 8.270 nan 0.000 0.430 736 R N 0.401 121.013 120.500 0.186 0.000 2.190 736 R HA -0.291 4.050 4.340 0.002 0.000 0.255 736 R C 2.290 178.657 176.300 0.113 0.000 1.143 736 R CA 2.409 58.583 56.100 0.123 0.000 0.965 736 R CB -0.629 29.733 30.300 0.105 0.000 0.889 736 R HN 0.404 nan 8.270 nan 0.000 0.448 737 Y N -0.050 120.266 120.300 0.026 0.000 2.114 737 Y HA -0.264 4.287 4.550 0.001 0.000 0.284 737 Y C 2.056 177.898 175.900 -0.096 0.000 1.143 737 Y CA 2.022 60.072 58.100 -0.084 0.000 1.135 737 Y CB -0.680 37.644 38.460 -0.227 0.000 0.980 737 Y HN 0.000 nan 8.280 nan 0.000 0.499 738 F N 1.274 121.250 119.950 0.043 0.000 2.141 738 F HA -0.372 4.156 4.527 0.001 0.000 0.300 738 F C 2.724 178.426 175.800 -0.163 0.000 1.079 738 F CA 2.238 60.207 58.000 -0.053 0.000 1.264 738 F CB -1.038 38.013 39.000 0.085 0.000 1.011 738 F HN 0.280 nan 8.300 nan 0.000 0.487 739 Q N 0.072 119.905 119.800 0.054 0.000 1.975 739 Q HA -0.243 4.098 4.340 0.002 0.000 0.205 739 Q C 2.368 178.313 176.000 -0.091 0.000 0.990 739 Q CA 3.075 58.877 55.803 -0.002 0.000 0.845 739 Q CB -0.442 28.301 28.738 0.009 0.000 0.913 739 Q HN 0.479 nan 8.270 nan 0.000 0.420 740 T N -1.065 113.387 114.554 -0.170 0.000 2.821 740 T HA 0.088 4.439 4.350 0.002 0.000 0.267 740 T C 1.040 175.560 174.700 -0.300 0.000 1.046 740 T CA 0.521 62.501 62.100 -0.200 0.000 1.139 740 T CB -0.740 68.020 68.868 -0.180 0.000 0.871 740 T HN 0.495 nan 8.240 nan 0.000 0.454 751 L N 4.842 126.088 121.223 0.038 0.000 2.305 751 L HA 0.586 4.927 4.340 0.002 0.000 0.281 751 L C -0.529 176.345 176.870 0.007 0.000 1.085 751 L CA -0.012 54.845 54.840 0.029 0.000 0.813 751 L CB 1.087 43.160 42.059 0.024 0.000 1.157 751 L HN 0.421 nan 8.230 nan 0.000 0.436 752 L N 3.382 124.613 121.223 0.013 0.000 2.307 752 L HA 0.524 4.865 4.340 0.002 0.000 0.284 752 L C -0.805 176.063 176.870 -0.004 0.000 1.023 752 L CA -0.138 54.696 54.840 -0.011 0.000 0.810 752 L CB 1.534 43.591 42.059 -0.003 0.000 1.231 752 L HN 0.517 nan 8.230 nan 0.000 0.423 753 D N -0.474 119.916 120.400 -0.016 0.000 2.990 753 D HA 0.217 4.858 4.640 0.002 0.000 0.227 753 D C -1.010 175.304 176.300 0.024 0.000 1.249 753 D CA -0.509 53.502 54.000 0.018 0.000 0.891 753 D CB 1.150 41.966 40.800 0.026 0.000 1.647 753 D HN 0.427 nan 8.370 nan 0.000 0.530 754 H N 2.205 121.245 119.070 -0.049 0.000 3.046 754 H HA 0.137 4.694 4.556 0.002 0.000 0.303 754 H C -0.747 174.554 175.328 -0.045 0.000 1.002 754 H CA -0.060 55.949 56.048 -0.065 0.000 1.460 754 H CB 0.088 29.802 29.762 -0.080 0.000 1.493 754 H HN 0.236 nan 8.280 nan 0.000 0.559 755 F N 6.331 125.909 119.950 -0.620 0.000 2.506 755 F HA 0.173 4.701 4.527 0.002 0.000 0.371 755 F C -0.716 174.685 175.800 -0.665 0.000 1.078 755 F CA -0.710 56.975 58.000 -0.524 0.000 1.195 755 F CB 0.163 38.902 39.000 -0.434 0.000 1.099 755 F HN 0.549 nan 8.300 nan 0.000 0.548 756 L N 7.469 127.973 121.223 -1.198 0.000 2.356 756 L HA 0.165 4.506 4.340 0.002 0.000 0.282 756 L C 0.210 176.351 176.870 -1.216 0.000 1.132 756 L CA -0.735 53.499 54.840 -1.009 0.000 0.923 756 L CB -0.469 41.147 42.059 -0.740 0.000 1.278 756 L HN 0.591 nan 8.230 nan 0.000 0.436 757 D N 2.237 122.089 120.400 -0.913 0.000 2.378 757 D HA -0.099 4.542 4.640 0.002 0.000 0.238 757 D C -0.019 176.116 176.300 -0.276 0.000 1.180 757 D CA -0.320 53.398 54.000 -0.469 0.000 0.895 757 D CB 0.703 41.461 40.800 -0.069 0.000 1.192 757 D HN 0.498 nan 8.370 nan 0.000 0.438 758 D N -0.614 119.722 120.400 -0.107 0.000 2.720 758 D HA -0.137 4.504 4.640 0.002 0.000 0.229 758 D C -0.346 175.893 176.300 -0.102 0.000 1.198 758 D CA 1.035 55.000 54.000 -0.058 0.000 0.639 758 D CB -1.275 39.514 40.800 -0.018 0.000 1.003 758 D HN 0.623 nan 8.370 nan 0.000 0.411 759 A N -0.249 122.488 122.820 -0.138 0.000 2.384 759 A HA 0.649 4.970 4.320 0.002 0.000 0.312 759 A C -0.020 177.518 177.584 -0.077 0.000 1.113 759 A CA -0.653 51.305 52.037 -0.131 0.000 0.779 759 A CB 2.016 20.888 19.000 -0.213 0.000 1.307 759 A HN 0.064 nan 8.150 nan 0.000 0.436 760 V N 1.749 121.623 119.914 -0.066 0.000 2.432 760 V HA 0.252 4.373 4.120 0.002 0.000 0.275 760 V C 0.446 176.495 176.094 -0.074 0.000 1.043 760 V CA -0.260 62.007 62.300 -0.056 0.000 0.925 760 V CB 1.066 32.843 31.823 -0.075 0.000 0.985 760 V HN 0.954 nan 8.190 nan 0.000 0.466 761 E N 3.487 123.618 120.200 -0.116 0.000 2.266 761 E HA 0.622 4.973 4.350 0.002 0.000 0.277 761 E C -1.437 174.864 176.600 -0.498 0.000 1.018 761 E CA -0.365 55.868 56.400 -0.279 0.000 0.840 761 E CB 1.789 31.323 29.700 -0.276 0.000 1.082 761 E HN 0.478 nan 8.360 nan 0.000 0.395 762 V N 3.651 123.368 119.914 -0.329 0.000 2.925 762 V HA 0.284 4.405 4.120 0.002 0.000 0.311 762 V C -0.856 175.245 176.094 0.012 0.000 1.104 762 V CA -0.917 61.290 62.300 -0.156 0.000 0.954 762 V CB 2.303 34.147 31.823 0.035 0.000 1.022 762 V HN 0.729 nan 8.190 nan 0.000 0.427 763 D N 1.706 122.181 120.400 0.124 0.000 2.362 763 D HA 0.638 5.279 4.640 0.002 0.000 0.247 763 D C -1.259 175.156 176.300 0.192 0.000 1.050 763 D CA -0.072 54.040 54.000 0.187 0.000 0.839 763 D CB 2.541 43.486 40.800 0.241 0.000 1.283 763 D HN 0.270 nan 8.370 nan 0.000 0.477 764 V N 3.011 123.036 119.914 0.184 0.000 2.483 764 V HA 0.240 4.361 4.120 0.002 0.000 0.297 764 V C -0.414 175.748 176.094 0.113 0.000 1.027 764 V CA -0.900 61.503 62.300 0.171 0.000 0.855 764 V CB 2.061 34.029 31.823 0.241 0.000 0.995 764 V HN 0.387 nan 8.190 nan 0.000 0.424 765 D N 3.689 124.143 120.400 0.091 0.000 2.233 765 D HA 0.805 5.446 4.640 0.002 0.000 0.240 765 D C -0.044 176.283 176.300 0.045 0.000 1.074 765 D CA 0.266 54.303 54.000 0.062 0.000 0.838 765 D CB 2.291 43.124 40.800 0.055 0.000 1.124 765 D HN 0.805 nan 8.370 nan 0.000 0.475 766 A N 2.424 125.263 122.820 0.032 0.000 2.583 766 A HA 0.786 5.107 4.320 0.002 0.000 0.289 766 A C -1.216 176.374 177.584 0.011 0.000 1.151 766 A CA -0.625 51.422 52.037 0.016 0.000 0.695 766 A CB 1.271 20.274 19.000 0.005 0.000 1.290 766 A HN 0.492 nan 8.150 nan 0.000 0.419 767 I N -0.041 120.528 120.570 -0.000 0.000 2.545 767 I HA 0.507 4.678 4.170 0.002 0.000 0.292 767 I C -0.876 175.225 176.117 -0.026 0.000 1.040 767 I CA -0.545 60.758 61.300 0.006 0.000 1.068 767 I CB 1.920 39.936 38.000 0.028 0.000 1.251 767 I HN 0.667 nan 8.210 nan 0.000 0.424 768 C N 4.970 124.254 119.300 -0.027 0.000 2.441 768 C HA 0.490 4.951 4.460 0.002 0.000 0.318 768 C C 0.085 175.081 174.990 0.011 0.000 1.222 768 C CA -0.437 58.547 59.018 -0.056 0.000 1.474 768 C CB 0.943 28.597 27.740 -0.143 0.000 2.125 768 C HN 0.924 nan 8.230 nan 0.000 0.479 769 D N 1.924 122.352 120.400 0.048 0.000 2.501 769 D HA 0.284 4.924 4.640 0.002 0.000 0.226 769 D C 1.346 177.711 176.300 0.109 0.000 1.198 769 D CA 0.499 54.541 54.000 0.070 0.000 0.830 769 D CB -0.058 40.781 40.800 0.065 0.000 1.014 769 D HN 1.354 nan 8.370 nan 0.000 0.496 770 G N 0.520 109.419 108.800 0.165 0.000 2.267 770 G HA2 -0.400 3.561 3.960 0.002 0.000 0.257 770 G HA3 -0.400 3.561 3.960 0.002 0.000 0.257 770 G C 0.970 176.038 174.900 0.280 0.000 0.998 770 G CA 0.591 45.830 45.100 0.232 0.000 0.620 770 G HN 0.457 nan 8.290 nan 0.000 0.529 771 E N -0.758 119.595 120.200 0.255 0.000 2.306 771 E HA 0.427 4.778 4.350 0.002 0.000 0.201 771 E C 1.238 178.013 176.600 0.292 0.000 0.874 771 E CA 0.832 57.346 56.400 0.191 0.000 0.972 771 E CB 0.210 29.976 29.700 0.109 0.000 0.957 771 E HN 0.755 nan 8.360 nan 0.000 0.492 772 M N -1.066 118.711 119.600 0.296 0.000 2.622 772 M HA 0.529 5.010 4.480 0.002 0.000 0.276 772 M C -1.547 174.809 176.300 0.093 0.000 1.265 772 M CA -0.991 54.465 55.300 0.259 0.000 0.850 772 M CB 2.466 35.150 32.600 0.139 0.000 1.720 772 M HN -0.335 nan 8.290 nan 0.000 0.465 773 V N 2.457 122.373 119.914 0.003 0.000 2.417 773 V HA 0.589 4.709 4.120 0.002 0.000 0.291 773 V C -0.982 175.093 176.094 -0.030 0.000 1.024 773 V CA -0.659 61.572 62.300 -0.114 0.000 0.861 773 V CB 1.512 33.172 31.823 -0.271 0.000 0.985 773 V HN 0.787 nan 8.190 nan 0.000 0.436 774 L N 6.187 127.396 121.223 -0.023 0.000 2.296 774 L HA 0.594 4.935 4.340 0.002 0.000 0.286 774 L C -0.435 176.430 176.870 -0.007 0.000 1.023 774 L CA -0.105 54.732 54.840 -0.005 0.000 0.812 774 L CB 1.067 43.129 42.059 0.005 0.000 1.223 774 L HN 0.430 nan 8.230 nan 0.000 0.421 775 I N 5.788 126.355 120.570 -0.004 0.000 2.363 775 I HA 0.190 4.360 4.170 0.002 0.000 0.292 775 I C 1.383 177.501 176.117 0.001 0.000 1.075 775 I CA 0.270 61.571 61.300 0.002 0.000 1.333 775 I CB 0.398 38.400 38.000 0.003 0.000 1.415 775 I HN 0.866 nan 8.210 nan 0.000 0.502 776 G N 5.400 114.206 108.800 0.010 0.000 2.404 776 G HA2 0.258 4.219 3.960 0.002 0.000 0.213 776 G HA3 0.258 4.219 3.960 0.002 0.000 0.213 776 G C 0.628 175.529 174.900 0.002 0.000 1.189 776 G CA 0.666 45.769 45.100 0.004 0.000 0.796 776 G HN 0.790 nan 8.290 nan 0.000 0.532 777 G N -1.008 107.808 108.800 0.027 0.000 2.655 777 G HA2 0.455 4.416 3.960 0.002 0.000 0.296 777 G HA3 0.455 4.416 3.960 0.002 0.000 0.296 777 G C -1.525 173.421 174.900 0.078 0.000 1.485 777 G CA -0.855 44.269 45.100 0.039 0.000 0.869 777 G HN 0.181 nan 8.290 nan 0.000 0.540 778 I N 1.522 122.139 120.570 0.078 0.000 2.330 778 I HA 0.425 4.596 4.170 0.002 0.000 0.289 778 I C -0.166 176.040 176.117 0.148 0.000 1.001 778 I CA -0.414 60.944 61.300 0.098 0.000 1.193 778 I CB 1.698 39.728 38.000 0.050 0.000 1.345 778 I HN 0.218 nan 8.210 nan 0.000 0.461 779 M N 5.907 125.623 119.600 0.193 0.000 2.181 779 M HA 0.327 4.807 4.480 0.002 0.000 0.323 779 M C -0.355 176.101 176.300 0.261 0.000 1.004 779 M CA -0.341 55.120 55.300 0.268 0.000 0.941 779 M CB 2.108 34.901 32.600 0.321 0.000 1.579 779 M HN 0.442 nan 8.290 nan 0.000 0.427 780 E N 3.368 123.738 120.200 0.284 0.000 2.167 780 E HA 0.212 4.563 4.350 0.002 0.000 0.284 780 E C -0.901 175.938 176.600 0.399 0.000 1.016 780 E CA -0.332 56.220 56.400 0.254 0.000 0.817 780 E CB 0.774 30.606 29.700 0.219 0.000 1.080 780 E HN 0.647 nan 8.360 nan 0.000 0.397 781 H N 3.171 122.352 119.070 0.185 0.000 2.679 781 H HA 0.031 4.588 4.556 0.002 0.000 0.369 781 H C 0.790 176.273 175.328 0.258 0.000 1.178 781 H CA -0.809 55.353 56.048 0.188 0.000 1.419 781 H CB 1.118 30.958 29.762 0.131 0.000 1.458 781 H HN 0.535 nan 8.280 nan 0.000 0.605 782 I N 0.754 121.559 120.570 0.392 0.000 2.296 782 I HA -0.099 4.072 4.170 0.002 0.000 0.242 782 I C 0.546 176.828 176.117 0.274 0.000 1.087 782 I CA 0.962 62.470 61.300 0.347 0.000 1.393 782 I CB -0.157 38.009 38.000 0.277 0.000 1.093 782 I HN 0.583 nan 8.210 nan 0.000 0.421 783 E N 2.344 122.693 120.200 0.247 0.000 2.360 783 E HA 0.057 4.408 4.350 0.002 0.000 0.269 783 E C 0.161 176.895 176.600 0.222 0.000 1.022 783 E CA -0.266 56.261 56.400 0.212 0.000 0.887 783 E CB 0.193 30.002 29.700 0.183 0.000 0.990 783 E HN 0.159 nan 8.360 nan 0.000 0.426 784 Q N 1.680 121.585 119.800 0.175 0.000 2.584 784 Q HA 0.124 4.465 4.340 0.002 0.000 0.235 784 Q C -0.280 175.814 176.000 0.157 0.000 1.079 784 Q CA -0.308 55.577 55.803 0.136 0.000 0.977 784 Q CB 0.288 29.095 28.738 0.115 0.000 1.293 784 Q HN 0.489 nan 8.270 nan 0.000 0.553 785 A N -0.194 122.678 122.820 0.086 0.000 2.511 785 A HA 0.452 4.773 4.320 0.002 0.000 0.242 785 A C 1.108 178.838 177.584 0.243 0.000 1.069 785 A CA 0.720 52.812 52.037 0.091 0.000 0.763 785 A CB -0.656 18.317 19.000 -0.045 0.000 1.001 785 A HN 1.326 nan 8.150 nan 0.000 0.498 786 G N 0.805 109.777 108.800 0.287 0.000 2.428 786 G HA2 -0.110 3.851 3.960 0.002 0.000 0.199 786 G HA3 -0.110 3.851 3.960 0.002 0.000 0.199 786 G C 0.057 175.061 174.900 0.172 0.000 1.005 786 G CA 0.025 45.324 45.100 0.332 0.000 0.671 786 G HN 1.338 nan 8.290 nan 0.000 0.485 787 V N 3.552 123.577 119.914 0.184 0.000 2.350 787 V HA 0.408 4.529 4.120 0.002 0.000 0.276 787 V C 0.797 176.994 176.094 0.172 0.000 1.028 787 V CA -0.954 61.447 62.300 0.169 0.000 0.860 787 V CB 1.141 33.064 31.823 0.167 0.000 0.990 787 V HN 0.433 nan 8.190 nan 0.000 0.453 788 H N 3.782 122.905 119.070 0.089 0.000 3.193 788 H HA -0.109 4.448 4.556 0.002 0.000 0.306 788 H C 1.694 177.050 175.328 0.047 0.000 0.960 788 H CA 1.127 57.217 56.048 0.070 0.000 1.375 788 H CB 1.034 30.818 29.762 0.038 0.000 1.321 788 H HN 0.909 nan 8.280 nan 0.000 0.578 789 S N 2.763 118.353 115.700 -0.183 0.000 2.402 789 S HA -0.151 4.320 4.470 0.002 0.000 0.233 789 S C 2.218 176.791 174.600 -0.046 0.000 1.030 789 S CA 1.075 59.215 58.200 -0.100 0.000 1.003 789 S CB -0.443 62.773 63.200 0.026 0.000 0.813 789 S HN 0.725 nan 8.310 nan 0.000 0.477 790 G N 0.584 109.586 108.800 0.337 0.000 2.534 790 G HA2 -0.007 3.954 3.960 0.002 0.000 0.217 790 G HA3 -0.007 3.954 3.960 0.002 0.000 0.217 790 G C 0.769 175.706 174.900 0.062 0.000 1.128 790 G CA 0.714 45.933 45.100 0.199 0.000 0.784 790 G HN 0.556 nan 8.290 nan 0.000 0.542 791 D N -0.184 120.268 120.400 0.086 0.000 2.395 791 D HA 0.202 4.843 4.640 0.002 0.000 0.213 791 D C 0.526 176.835 176.300 0.015 0.000 1.110 791 D CA 0.029 54.056 54.000 0.044 0.000 0.835 791 D CB 0.763 41.620 40.800 0.094 0.000 0.965 791 D HN 0.077 nan 8.370 nan 0.000 0.505 792 S N 0.322 115.985 115.700 -0.062 0.000 2.617 792 S HA 0.713 5.184 4.470 0.002 0.000 0.283 792 S C 0.218 174.755 174.600 -0.105 0.000 1.189 792 S CA -0.809 57.339 58.200 -0.086 0.000 1.036 792 S CB 2.049 65.116 63.200 -0.223 0.000 1.014 792 S HN 0.199 nan 8.310 nan 0.000 0.522 793 A N 0.779 123.609 122.820 0.017 0.000 2.322 793 A HA 0.680 5.001 4.320 0.002 0.000 0.269 793 A C 0.259 177.881 177.584 0.064 0.000 1.094 793 A CA -0.596 51.465 52.037 0.039 0.000 0.807 793 A CB -0.323 18.801 19.000 0.207 0.000 1.047 793 A HN 1.260 nan 8.150 nan 0.000 0.487 794 C N -0.365 118.956 119.300 0.034 0.000 3.173 794 C HA 0.866 5.327 4.460 0.002 0.000 0.310 794 C C -0.289 174.839 174.990 0.229 0.000 1.306 794 C CA -0.515 58.591 59.018 0.147 0.000 1.426 794 C CB 0.965 28.773 27.740 0.113 0.000 1.800 794 C HN 1.000 nan 8.230 nan 0.000 0.470 795 S N 0.891 116.818 115.700 0.379 0.000 2.482 795 S HA 0.807 5.278 4.470 0.002 0.000 0.303 795 S C -1.256 173.635 174.600 0.486 0.000 1.091 795 S CA -0.520 57.976 58.200 0.492 0.000 1.057 795 S CB 1.070 64.608 63.200 0.563 0.000 1.031 795 S HN 0.950 nan 8.310 nan 0.000 0.485 796 L N 6.682 128.206 121.223 0.502 0.000 2.457 796 L HA 0.570 4.911 4.340 0.002 0.000 0.266 796 L C -2.555 174.441 176.870 0.211 0.000 0.979 796 L CA -1.976 53.058 54.840 0.323 0.000 0.857 796 L CB 2.221 44.429 42.059 0.247 0.000 1.213 796 L HN 0.491 nan 8.230 nan 0.000 0.418 797 P HA 0.255 nan 4.420 nan 0.000 0.282 797 P C -0.752 176.726 177.300 0.296 0.000 1.287 797 P CA -0.473 62.685 63.100 0.096 0.000 0.792 797 P CB 0.639 32.301 31.700 -0.063 0.000 1.163 798 A N 0.253 123.200 122.820 0.211 0.000 2.555 798 A HA 0.035 4.356 4.320 0.002 0.000 0.233 798 A C 0.615 178.382 177.584 0.306 0.000 1.060 798 A CA 0.333 52.505 52.037 0.225 0.000 0.759 798 A CB -0.960 18.084 19.000 0.073 0.000 0.995 798 A HN 0.771 nan 8.150 nan 0.000 0.506 799 Y N -0.197 120.127 120.300 0.040 0.000 2.458 799 Y HA 0.268 4.819 4.550 0.002 0.000 0.254 799 Y C 1.472 177.274 175.900 -0.163 0.000 1.120 799 Y CA 0.734 58.772 58.100 -0.103 0.000 1.282 799 Y CB 0.231 38.322 38.460 -0.615 0.000 1.109 799 Y HN 0.626 nan 8.280 nan 0.000 0.526 800 T N -2.421 111.788 114.554 -0.574 0.000 3.029 800 T HA 0.299 4.650 4.350 0.002 0.000 0.256 800 T C 0.127 174.660 174.700 -0.278 0.000 0.914 800 T CA -0.293 61.518 62.100 -0.482 0.000 0.880 800 T CB -0.615 67.847 68.868 -0.677 0.000 1.246 800 T HN 0.138 nan 8.240 nan 0.000 0.523 801 L N 4.106 125.195 121.223 -0.224 0.000 2.455 801 L HA 0.397 4.738 4.340 0.002 0.000 0.272 801 L C 1.014 177.821 176.870 -0.104 0.000 1.174 801 L CA -0.532 54.220 54.840 -0.146 0.000 0.869 801 L CB 0.777 42.766 42.059 -0.116 0.000 1.130 801 L HN 0.445 nan 8.230 nan 0.000 0.474 802 S N 2.112 117.753 115.700 -0.098 0.000 2.579 802 S HA -0.000 4.471 4.470 0.002 0.000 0.275 802 S C 0.714 175.272 174.600 -0.070 0.000 1.345 802 S CA -0.447 57.707 58.200 -0.077 0.000 1.031 802 S CB 1.460 64.616 63.200 -0.074 0.000 0.892 802 S HN 0.688 nan 8.310 nan 0.000 0.529 803 Q N 1.044 120.810 119.800 -0.057 0.000 2.124 803 Q HA -0.168 4.173 4.340 0.002 0.000 0.202 803 Q C 2.128 178.092 176.000 -0.061 0.000 0.977 803 Q CA 2.306 58.077 55.803 -0.054 0.000 0.850 803 Q CB -0.358 28.354 28.738 -0.043 0.000 0.901 803 Q HN 0.970 nan 8.270 nan 0.000 0.429 804 E N -0.368 119.796 120.200 -0.060 0.000 2.077 804 E HA -0.211 4.140 4.350 0.002 0.000 0.193 804 E C 1.872 178.424 176.600 -0.079 0.000 0.989 804 E CA 1.255 57.618 56.400 -0.062 0.000 0.800 804 E CB -0.279 29.389 29.700 -0.054 0.000 0.746 804 E HN 0.479 nan 8.360 nan 0.000 0.452 805 I N 0.814 121.330 120.570 -0.090 0.000 2.439 805 I HA -0.210 3.961 4.170 0.002 0.000 0.251 805 I C 2.355 178.383 176.117 -0.149 0.000 1.139 805 I CA 1.126 62.357 61.300 -0.116 0.000 1.438 805 I CB -0.283 37.649 38.000 -0.112 0.000 1.085 805 I HN 0.322 nan 8.210 nan 0.000 0.427 806 Q N 0.090 119.815 119.800 -0.124 0.000 2.119 806 Q HA -0.215 4.126 4.340 0.002 0.000 0.201 806 Q C 1.649 177.572 176.000 -0.129 0.000 0.972 806 Q CA 1.329 57.052 55.803 -0.134 0.000 0.847 806 Q CB -0.032 28.655 28.738 -0.087 0.000 0.903 806 Q HN 0.436 nan 8.270 nan 0.000 0.433 807 D N 0.143 120.485 120.400 -0.098 0.000 2.144 807 D HA -0.122 4.518 4.640 0.002 0.000 0.199 807 D C 1.935 178.180 176.300 -0.092 0.000 0.984 807 D CA 0.830 54.783 54.000 -0.078 0.000 0.834 807 D CB -0.001 40.764 40.800 -0.058 0.000 0.955 807 D HN 0.041 nan 8.370 nan 0.000 0.465 808 V N 0.855 120.698 119.914 -0.118 0.000 2.343 808 V HA -0.234 3.887 4.120 0.002 0.000 0.247 808 V C 2.491 178.473 176.094 -0.186 0.000 1.051 808 V CA 1.295 63.518 62.300 -0.128 0.000 1.036 808 V CB -0.329 31.411 31.823 -0.139 0.000 0.654 808 V HN 0.215 nan 8.190 nan 0.000 0.451 809 M N -0.989 118.423 119.600 -0.313 0.000 2.132 809 M HA -0.168 4.313 4.480 0.002 0.000 0.263 809 M C 2.427 178.605 176.300 -0.204 0.000 1.065 809 M CA 1.743 56.720 55.300 -0.537 0.000 1.122 809 M CB -0.474 31.601 32.600 -0.876 0.000 1.365 809 M HN 0.133 nan 8.290 nan 0.000 0.411 810 R N -0.007 120.420 120.500 -0.121 0.000 2.105 810 R HA -0.169 4.172 4.340 0.002 0.000 0.239 810 R C 2.234 178.533 176.300 -0.000 0.000 1.135 810 R CA 1.499 57.579 56.100 -0.033 0.000 0.967 810 R CB -0.172 30.108 30.300 -0.033 0.000 0.861 810 R HN 0.505 nan 8.270 nan 0.000 0.442 811 Q N -0.163 119.629 119.800 -0.014 0.000 2.083 811 Q HA -0.163 4.178 4.340 0.002 0.000 0.198 811 Q C 2.099 178.131 176.000 0.053 0.000 0.969 811 Q CA 1.211 57.025 55.803 0.019 0.000 0.838 811 Q CB 0.115 28.857 28.738 0.007 0.000 0.900 811 Q HN 0.457 nan 8.270 nan 0.000 0.436 812 Q N -0.238 119.602 119.800 0.066 0.000 2.170 812 Q HA -0.134 4.207 4.340 0.002 0.000 0.203 812 Q C 2.164 178.267 176.000 0.173 0.000 0.976 812 Q CA 1.149 57.036 55.803 0.140 0.000 0.858 812 Q CB 0.043 28.919 28.738 0.230 0.000 0.907 812 Q HN 0.203 nan 8.270 nan 0.000 0.433 813 V N 0.973 120.997 119.914 0.183 0.000 2.343 813 V HA -0.308 3.813 4.120 0.002 0.000 0.247 813 V C 2.325 178.430 176.094 0.018 0.000 1.051 813 V CA 2.063 64.445 62.300 0.136 0.000 1.036 813 V CB -0.538 31.365 31.823 0.133 0.000 0.654 813 V HN 0.421 nan 8.190 nan 0.000 0.451 814 Q N -0.042 119.760 119.800 0.004 0.000 2.020 814 Q HA -0.294 4.047 4.340 0.002 0.000 0.202 814 Q C 2.319 178.303 176.000 -0.026 0.000 0.982 814 Q CA 2.117 57.874 55.803 -0.077 0.000 0.838 814 Q CB -0.064 28.688 28.738 0.024 0.000 0.899 814 Q HN 0.546 nan 8.270 nan 0.000 0.423 815 K N 0.219 120.683 120.400 0.106 0.000 2.044 815 K HA -0.168 4.153 4.320 0.002 0.000 0.210 815 K C 2.072 178.747 176.600 0.126 0.000 1.049 815 K CA 1.639 58.024 56.287 0.163 0.000 0.927 815 K CB -0.246 32.324 32.500 0.116 0.000 0.713 815 K HN 0.211 nan 8.250 nan 0.000 0.443 816 L N -0.004 121.265 121.223 0.078 0.000 2.046 816 L HA -0.229 4.112 4.340 0.002 0.000 0.208 816 L C 2.450 179.337 176.870 0.029 0.000 1.077 816 L CA 1.266 56.149 54.840 0.071 0.000 0.747 816 L CB -0.553 41.554 42.059 0.080 0.000 0.896 816 L HN 0.273 nan 8.230 nan 0.000 0.432 817 A N 0.075 122.850 122.820 -0.074 0.000 1.873 817 A HA -0.248 4.073 4.320 0.002 0.000 0.218 817 A C 2.007 179.516 177.584 -0.125 0.000 1.193 817 A CA 1.889 53.820 52.037 -0.176 0.000 0.629 817 A CB -0.905 17.855 19.000 -0.400 0.000 0.826 817 A HN 0.293 nan 8.150 nan 0.000 0.447 818 F N -0.187 119.789 119.950 0.043 0.000 2.102 818 F HA -0.084 4.444 4.527 0.002 0.000 0.298 818 F C 2.376 178.196 175.800 0.034 0.000 1.105 818 F CA 1.561 59.582 58.000 0.035 0.000 1.239 818 F CB -0.953 38.064 39.000 0.029 0.000 0.991 818 F HN 0.324 nan 8.300 nan 0.000 0.474 819 E N 0.979 121.322 120.200 0.239 0.000 2.049 819 E HA -0.202 4.149 4.350 0.002 0.000 0.198 819 E C 1.989 178.658 176.600 0.114 0.000 1.007 819 E CA 1.603 58.092 56.400 0.147 0.000 0.809 819 E CB -0.672 29.097 29.700 0.114 0.000 0.749 819 E HN 0.424 nan 8.360 nan 0.000 0.450 820 L N 0.012 121.296 121.223 0.101 0.000 2.549 820 L HA -0.026 4.315 4.340 0.002 0.000 0.229 820 L C 0.442 177.355 176.870 0.072 0.000 1.158 820 L CA 0.522 55.412 54.840 0.083 0.000 0.842 820 L CB -0.264 41.843 42.059 0.079 0.000 0.952 820 L HN 0.222 nan 8.230 nan 0.000 0.452 821 Q N -0.628 119.226 119.800 0.089 0.000 2.479 821 Q HA -0.140 4.201 4.340 0.002 0.000 0.282 821 Q C -0.332 175.703 176.000 0.059 0.000 1.279 821 Q CA 0.269 56.124 55.803 0.086 0.000 0.815 821 Q CB -2.184 26.595 28.738 0.069 0.000 1.204 821 Q HN 0.233 nan 8.270 nan 0.000 0.444 822 V N 1.591 121.529 119.914 0.041 0.000 2.655 822 V HA 0.112 4.233 4.120 0.002 0.000 0.300 822 V C 0.998 177.108 176.094 0.027 0.000 1.044 822 V CA 0.594 62.906 62.300 0.020 0.000 1.095 822 V CB 0.951 32.769 31.823 -0.008 0.000 0.952 822 V HN 0.157 nan 8.190 nan 0.000 0.485 823 R N 3.780 124.297 120.500 0.028 0.000 2.629 823 R HA 0.577 4.918 4.340 0.002 0.000 0.275 823 R C 0.303 176.622 176.300 0.032 0.000 1.719 823 R CA 0.385 56.503 56.100 0.030 0.000 1.472 823 R CB 0.963 31.278 30.300 0.025 0.000 1.237 823 R HN 1.079 nan 8.270 nan 0.000 0.589 824 G N 1.030 109.857 108.800 0.045 0.000 2.253 824 G HA2 -0.140 3.821 3.960 0.002 0.000 0.190 824 G HA3 -0.140 3.821 3.960 0.002 0.000 0.190 824 G C -1.163 173.790 174.900 0.088 0.000 1.274 824 G CA -0.917 44.230 45.100 0.079 0.000 1.275 824 G HN 0.245 nan 8.290 nan 0.000 0.518 825 L N 1.814 123.120 121.223 0.138 0.000 2.399 825 L HA 0.830 5.171 4.340 0.002 0.000 0.266 825 L C 0.820 177.732 176.870 0.071 0.000 1.114 825 L CA -0.331 54.571 54.840 0.102 0.000 0.804 825 L CB 1.417 43.543 42.059 0.111 0.000 1.146 825 L HN 0.941 nan 8.230 nan 0.000 0.451 826 M N 1.671 121.298 119.600 0.044 0.000 2.682 826 M HA 0.472 4.953 4.480 0.002 0.000 0.272 826 M C -2.015 174.302 176.300 0.027 0.000 1.232 826 M CA -0.751 54.566 55.300 0.029 0.000 0.849 826 M CB 2.488 35.093 32.600 0.009 0.000 1.695 826 M HN 0.550 nan 8.290 nan 0.000 0.481 827 N N 1.468 120.178 118.700 0.016 0.000 2.287 827 N HA 0.660 5.401 4.740 0.002 0.000 0.289 827 N C -2.384 173.112 175.510 -0.022 0.000 1.066 827 N CA -0.303 52.759 53.050 0.019 0.000 0.841 827 N CB 2.997 41.505 38.487 0.034 0.000 1.599 827 N HN 0.660 nan 8.380 nan 0.000 0.476 828 V N 2.422 122.320 119.914 -0.026 0.000 2.588 828 V HA 0.429 4.550 4.120 0.002 0.000 0.304 828 V C -0.527 175.443 176.094 -0.207 0.000 1.042 828 V CA -0.749 61.454 62.300 -0.162 0.000 0.877 828 V CB 1.757 33.472 31.823 -0.181 0.000 0.996 828 V HN 0.612 nan 8.190 nan 0.000 0.425 829 Q N 3.584 123.183 119.800 -0.336 0.000 2.316 829 Q HA 0.714 5.055 4.340 0.002 0.000 0.264 829 Q C -1.641 174.100 176.000 -0.430 0.000 0.987 829 Q CA -0.339 55.324 55.803 -0.233 0.000 0.852 829 Q CB 2.562 31.232 28.738 -0.114 0.000 1.287 829 Q HN 0.635 nan 8.270 nan 0.000 0.448 830 F N 0.344 120.287 119.950 -0.011 0.000 2.611 830 F HA 0.785 5.313 4.527 0.002 0.000 0.324 830 F C -0.229 175.551 175.800 -0.032 0.000 1.061 830 F CA -1.050 56.953 58.000 0.007 0.000 0.954 830 F CB 1.772 40.773 39.000 0.002 0.000 1.301 830 F HN 0.538 nan 8.300 nan 0.000 0.482 831 A N 0.804 123.774 122.820 0.249 0.000 2.371 831 A HA 0.811 5.132 4.320 0.002 0.000 0.311 831 A C -1.749 175.927 177.584 0.154 0.000 1.068 831 A CA -0.694 51.401 52.037 0.097 0.000 0.744 831 A CB 1.366 20.352 19.000 -0.024 0.000 1.239 831 A HN 0.497 nan 8.150 nan 0.000 0.435 832 V N 2.671 122.620 119.914 0.058 0.000 2.378 832 V HA 0.513 4.634 4.120 0.002 0.000 0.288 832 V C -0.056 176.057 176.094 0.031 0.000 1.016 832 V CA -0.511 61.828 62.300 0.065 0.000 0.840 832 V CB 1.292 33.108 31.823 -0.011 0.000 0.994 832 V HN 0.830 nan 8.190 nan 0.000 0.431 833 K N 3.583 124.049 120.400 0.111 0.000 2.507 833 K HA 0.415 4.736 4.320 0.002 0.000 0.252 833 K C -0.050 176.613 176.600 0.106 0.000 0.943 833 K CA -0.647 55.668 56.287 0.046 0.000 0.808 833 K CB 1.164 33.615 32.500 -0.082 0.000 1.142 833 K HN 0.815 nan 8.250 nan 0.000 0.426 834 N N 3.275 121.994 118.700 0.032 0.000 2.705 834 N HA -0.274 4.467 4.740 0.002 0.000 0.255 834 N C -0.460 175.062 175.510 0.021 0.000 1.008 834 N CA 0.874 53.938 53.050 0.024 0.000 0.742 834 N CB -1.038 37.472 38.487 0.038 0.000 0.906 834 N HN 0.941 nan 8.380 nan 0.000 0.541 835 N N -0.933 117.767 118.700 -0.000 0.000 2.741 835 N HA -0.221 4.520 4.740 0.002 0.000 0.250 835 N C -1.420 174.076 175.510 -0.022 0.000 1.115 835 N CA 1.073 54.110 53.050 -0.022 0.000 0.724 835 N CB -0.204 38.263 38.487 -0.033 0.000 1.090 835 N HN 0.541 nan 8.380 nan 0.000 0.558 836 E N 0.376 120.589 120.200 0.021 0.000 2.234 836 E HA 0.299 4.650 4.350 0.002 0.000 0.266 836 E C -0.559 176.039 176.600 -0.003 0.000 0.877 836 E CA -0.697 55.680 56.400 -0.038 0.000 0.758 836 E CB 2.581 32.240 29.700 -0.068 0.000 1.170 836 E HN -0.042 nan 8.360 nan 0.000 0.415 837 V N 3.893 123.741 119.914 -0.110 0.000 2.461 837 V HA 0.222 4.343 4.120 0.002 0.000 0.275 837 V C -0.763 175.309 176.094 -0.037 0.000 1.047 837 V CA -0.090 62.196 62.300 -0.022 0.000 0.955 837 V CB -0.161 31.602 31.823 -0.101 0.000 0.988 837 V HN 0.538 nan 8.190 nan 0.000 0.471 838 Y N 4.066 124.446 120.300 0.134 0.000 2.485 838 Y HA 0.583 5.134 4.550 0.002 0.000 0.345 838 Y C -0.203 175.818 175.900 0.201 0.000 0.998 838 Y CA -1.140 57.035 58.100 0.126 0.000 1.059 838 Y CB 1.837 40.327 38.460 0.050 0.000 1.234 838 Y HN 0.365 nan 8.280 nan 0.000 0.461 839 L N 3.549 124.925 121.223 0.254 0.000 2.275 839 L HA 0.382 4.723 4.340 0.002 0.000 0.288 839 L C 0.159 177.091 176.870 0.103 0.000 1.046 839 L CA 0.293 55.186 54.840 0.087 0.000 0.805 839 L CB 0.674 42.779 42.059 0.075 0.000 1.193 839 L HN 0.792 nan 8.230 nan 0.000 0.426 840 I N 2.339 122.908 120.570 -0.002 0.000 2.556 840 I HA 0.097 4.268 4.170 0.002 0.000 0.251 840 I C 0.189 176.310 176.117 0.006 0.000 1.105 840 I CA 0.292 61.603 61.300 0.018 0.000 1.436 840 I CB 0.470 38.449 38.000 -0.034 0.000 1.139 840 I HN 0.750 nan 8.210 nan 0.000 0.438 841 E N -0.663 119.477 120.200 -0.100 0.000 2.389 841 E HA 0.343 4.694 4.350 0.002 0.000 0.281 841 E C -1.723 174.702 176.600 -0.292 0.000 1.111 841 E CA -0.734 55.509 56.400 -0.262 0.000 0.869 841 E CB 1.758 31.307 29.700 -0.252 0.000 1.259 841 E HN -0.222 nan 8.360 nan 0.000 0.434 842 V N 2.406 122.051 119.914 -0.448 0.000 2.409 842 V HA 0.455 4.576 4.120 0.002 0.000 0.291 842 V C -0.851 175.111 176.094 -0.220 0.000 1.020 842 V CA -0.897 61.246 62.300 -0.260 0.000 0.848 842 V CB 1.602 33.343 31.823 -0.138 0.000 0.990 842 V HN 0.633 nan 8.190 nan 0.000 0.430 843 N N 6.463 125.093 118.700 -0.116 0.000 2.621 843 N HA 0.307 5.048 4.740 0.002 0.000 0.237 843 N C -2.601 172.894 175.510 -0.025 0.000 0.997 843 N CA -1.329 51.680 53.050 -0.070 0.000 0.918 843 N CB 2.127 40.599 38.487 -0.025 0.000 1.122 843 N HN 0.368 nan 8.380 nan 0.000 0.510 844 P HA 0.008 nan 4.420 nan 0.000 0.262 844 P C -0.252 177.068 177.300 0.035 0.000 1.647 844 P CA 0.447 63.549 63.100 0.004 0.000 0.865 844 P CB -0.182 31.517 31.700 -0.002 0.000 1.834 845 R N -1.842 118.693 120.500 0.058 0.000 2.907 845 R HA 0.756 5.097 4.340 0.002 0.000 0.266 845 R C -1.187 175.190 176.300 0.128 0.000 1.031 845 R CA -1.208 54.959 56.100 0.111 0.000 0.904 845 R CB 0.148 30.506 30.300 0.097 0.000 1.358 845 R HN -0.153 nan 8.270 nan 0.000 0.438 846 A N 0.538 123.456 122.820 0.165 0.000 2.409 846 A HA 0.650 4.971 4.320 0.002 0.000 0.262 846 A C -0.024 177.663 177.584 0.173 0.000 1.113 846 A CA 0.142 52.213 52.037 0.056 0.000 0.790 846 A CB 0.225 19.089 19.000 -0.226 0.000 1.046 846 A HN 0.785 nan 8.150 nan 0.000 0.496 847 A N 1.949 124.827 122.820 0.096 0.000 2.299 847 A HA 0.605 4.926 4.320 0.002 0.000 0.332 847 A C 1.286 178.793 177.584 -0.129 0.000 1.131 847 A CA -0.310 51.809 52.037 0.136 0.000 0.844 847 A CB 0.504 19.556 19.000 0.086 0.000 1.251 847 A HN 1.043 nan 8.150 nan 0.000 0.486 848 R N -0.470 119.879 120.500 -0.251 0.000 2.200 848 R HA -0.125 4.216 4.340 0.002 0.000 0.234 848 R C 1.029 177.162 176.300 -0.279 0.000 1.127 848 R CA 2.093 57.871 56.100 -0.537 0.000 0.989 848 R CB -1.114 28.926 30.300 -0.432 0.000 0.869 848 R HN 0.668 nan 8.270 nan 0.000 0.459 849 T N -1.570 112.913 114.554 -0.117 0.000 3.085 849 T HA 0.089 4.440 4.350 0.002 0.000 0.263 849 T C 1.912 176.613 174.700 0.002 0.000 1.127 849 T CA 0.500 62.591 62.100 -0.013 0.000 1.103 849 T CB -0.041 68.868 68.868 0.069 0.000 0.921 849 T HN 0.035 nan 8.240 nan 0.000 0.510 850 V N 2.998 122.861 119.914 -0.086 0.000 2.282 850 V HA -0.116 4.005 4.120 0.002 0.000 0.249 850 V C -0.125 175.896 176.094 -0.122 0.000 1.057 850 V CA 1.978 64.227 62.300 -0.085 0.000 1.032 850 V CB -1.343 30.411 31.823 -0.115 0.000 0.645 850 V HN 0.419 nan 8.190 nan 0.000 0.447 851 P HA -0.171 nan 4.420 nan 0.000 0.217 851 P C 1.710 178.868 177.300 -0.237 0.000 1.150 851 P CA 1.461 64.266 63.100 -0.490 0.000 0.832 851 P CB -0.155 30.857 31.700 -1.147 0.000 0.787 852 F N 0.635 120.444 119.950 -0.235 0.000 2.113 852 F HA -0.173 4.355 4.527 0.002 0.000 0.297 852 F C 1.927 177.699 175.800 -0.048 0.000 1.103 852 F CA 1.314 59.240 58.000 -0.123 0.000 1.248 852 F CB -0.792 38.151 39.000 -0.095 0.000 0.999 852 F HN -0.331 nan 8.300 nan 0.000 0.475 853 V N -0.039 119.802 119.914 -0.122 0.000 2.407 853 V HA -0.295 3.826 4.120 0.002 0.000 0.248 853 V C 2.449 178.439 176.094 -0.174 0.000 1.055 853 V CA 2.099 64.285 62.300 -0.191 0.000 1.049 853 V CB -0.968 30.845 31.823 -0.017 0.000 0.662 853 V HN 0.403 nan 8.190 nan 0.000 0.455 854 S N -0.646 114.994 115.700 -0.101 0.000 2.382 854 S HA -0.209 4.262 4.470 0.002 0.000 0.228 854 S C 2.045 176.627 174.600 -0.030 0.000 1.027 854 S CA 1.458 59.635 58.200 -0.037 0.000 0.991 854 S CB -0.252 62.981 63.200 0.056 0.000 0.823 854 S HN 0.421 nan 8.310 nan 0.000 0.469 855 K N 1.836 122.205 120.400 -0.051 0.000 2.062 855 K HA 0.213 4.534 4.320 0.002 0.000 0.205 855 K C 2.148 178.787 176.600 0.065 0.000 1.051 855 K CA 1.138 57.451 56.287 0.043 0.000 0.941 855 K CB -0.734 31.744 32.500 -0.037 0.000 0.719 855 K HN 0.274 nan 8.250 nan 0.000 0.440 856 A N -0.101 122.610 122.820 -0.182 0.000 1.898 856 A HA -0.151 4.170 4.320 0.002 0.000 0.216 856 A C 2.167 179.759 177.584 0.014 0.000 1.181 856 A CA 2.387 54.358 52.037 -0.109 0.000 0.620 856 A CB -0.998 17.747 19.000 -0.425 0.000 0.819 856 A HN 0.490 nan 8.150 nan 0.000 0.442 857 T N -5.219 109.271 114.554 -0.107 0.000 3.044 857 T HA 0.403 4.754 4.350 0.002 0.000 0.250 857 T C 1.421 175.972 174.700 -0.249 0.000 1.081 857 T CA 1.133 63.149 62.100 -0.140 0.000 1.040 857 T CB 0.227 69.017 68.868 -0.130 0.000 0.962 857 T HN 1.746 nan 8.240 nan 0.000 0.506 858 G N 0.650 109.192 108.800 -0.429 0.000 2.179 858 G HA2 -0.206 3.755 3.960 0.002 0.000 0.260 858 G HA3 -0.206 3.755 3.960 0.002 0.000 0.260 858 G C -0.009 174.693 174.900 -0.329 0.000 0.977 858 G CA 0.031 44.624 45.100 -0.844 0.000 0.641 858 G HN 0.784 nan 8.290 nan 0.000 0.533 859 V N 1.803 121.615 119.914 -0.170 0.000 2.417 859 V HA 0.515 4.636 4.120 0.002 0.000 0.291 859 V C -1.849 174.248 176.094 0.004 0.000 1.024 859 V CA -1.639 60.619 62.300 -0.071 0.000 0.861 859 V CB 1.990 33.782 31.823 -0.053 0.000 0.985 859 V HN 0.117 nan 8.190 nan 0.000 0.436 860 P HA 0.236 nan 4.420 nan 0.000 0.244 860 P C 1.052 178.435 177.300 0.138 0.000 1.769 860 P CA -0.099 63.092 63.100 0.152 0.000 1.102 860 P CB 0.326 32.101 31.700 0.126 0.000 1.937 861 L N 1.423 122.708 121.223 0.103 0.000 2.051 861 L HA -0.281 4.060 4.340 0.002 0.000 0.214 861 L C 2.478 179.413 176.870 0.109 0.000 1.076 861 L CA 2.145 57.031 54.840 0.078 0.000 0.758 861 L CB -1.179 40.903 42.059 0.038 0.000 0.890 861 L HN 0.191 nan 8.230 nan 0.000 0.433 862 A N -0.148 122.749 122.820 0.129 0.000 1.972 862 A HA -0.198 4.123 4.320 0.002 0.000 0.219 862 A C 2.334 180.080 177.584 0.270 0.000 1.169 862 A CA 1.645 53.758 52.037 0.127 0.000 0.635 862 A CB -0.288 18.726 19.000 0.024 0.000 0.810 862 A HN 0.391 nan 8.150 nan 0.000 0.446 863 K N -0.573 119.964 120.400 0.228 0.000 2.076 863 K HA 0.018 4.339 4.320 0.002 0.000 0.204 863 K C 1.886 178.556 176.600 0.117 0.000 1.051 863 K CA 1.161 57.536 56.287 0.146 0.000 0.949 863 K CB -0.309 32.219 32.500 0.046 0.000 0.726 863 K HN 0.301 nan 8.250 nan 0.000 0.443 864 V N 1.818 121.795 119.914 0.105 0.000 2.295 864 V HA -0.242 3.879 4.120 0.002 0.000 0.246 864 V C 2.416 178.568 176.094 0.096 0.000 1.049 864 V CA 2.116 64.465 62.300 0.081 0.000 1.024 864 V CB -0.734 31.128 31.823 0.063 0.000 0.648 864 V HN 0.335 nan 8.190 nan 0.000 0.447 865 A N -0.140 122.762 122.820 0.136 0.000 2.019 865 A HA -0.068 4.253 4.320 0.002 0.000 0.219 865 A C 2.378 180.047 177.584 0.141 0.000 1.164 865 A CA 1.930 54.061 52.037 0.156 0.000 0.644 865 A CB -0.622 18.512 19.000 0.223 0.000 0.805 865 A HN 0.573 nan 8.150 nan 0.000 0.449 866 A N 0.046 122.965 122.820 0.166 0.000 1.898 866 A HA -0.122 4.199 4.320 0.002 0.000 0.216 866 A C 2.230 179.805 177.584 -0.015 0.000 1.181 866 A CA 1.382 53.440 52.037 0.035 0.000 0.620 866 A CB -0.402 18.639 19.000 0.069 0.000 0.819 866 A HN 0.559 nan 8.150 nan 0.000 0.442 867 R N -0.691 119.828 120.500 0.032 0.000 2.081 867 R HA -0.061 4.280 4.340 0.002 0.000 0.235 867 R C 2.023 178.338 176.300 0.025 0.000 1.131 867 R CA 1.334 57.454 56.100 0.033 0.000 0.960 867 R CB -0.682 29.653 30.300 0.058 0.000 0.856 867 R HN 0.349 nan 8.270 nan 0.000 0.436 868 V N 1.609 121.543 119.914 0.033 0.000 2.255 868 V HA -0.316 3.805 4.120 0.002 0.000 0.247 868 V C 2.385 178.483 176.094 0.007 0.000 1.051 868 V CA 1.978 64.296 62.300 0.030 0.000 1.018 868 V CB -0.385 31.463 31.823 0.041 0.000 0.641 868 V HN 0.342 nan 8.190 nan 0.000 0.445 869 M N -0.348 119.241 119.600 -0.018 0.000 2.149 869 M HA -0.188 4.293 4.480 0.002 0.000 0.261 869 M C 2.231 178.487 176.300 -0.075 0.000 1.064 869 M CA 2.140 57.408 55.300 -0.054 0.000 1.102 869 M CB -0.586 31.948 32.600 -0.110 0.000 1.369 869 M HN 0.417 nan 8.290 nan 0.000 0.408 870 A N -0.517 122.244 122.820 -0.097 0.000 2.119 870 A HA 0.206 4.527 4.320 0.002 0.000 0.217 870 A C 1.779 179.354 177.584 -0.015 0.000 1.153 870 A CA 1.424 53.380 52.037 -0.134 0.000 0.692 870 A CB -0.522 18.324 19.000 -0.256 0.000 0.799 870 A HN 0.674 nan 8.150 nan 0.000 0.458 871 G N -1.703 107.106 108.800 0.015 0.000 2.273 871 G HA2 -0.120 3.841 3.960 0.002 0.000 0.162 871 G HA3 -0.120 3.841 3.960 0.002 0.000 0.162 871 G C 0.064 174.997 174.900 0.055 0.000 1.006 871 G CA 0.131 45.256 45.100 0.043 0.000 0.704 871 G HN 0.549 nan 8.290 nan 0.000 0.487 872 K N 1.959 122.392 120.400 0.056 0.000 2.293 872 K HA 0.595 4.916 4.320 0.002 0.000 0.267 872 K C 1.044 177.672 176.600 0.046 0.000 1.010 872 K CA 0.136 56.456 56.287 0.055 0.000 0.875 872 K CB 0.962 33.502 32.500 0.067 0.000 1.106 872 K HN 0.381 nan 8.250 nan 0.000 0.450 873 S N 3.545 119.270 115.700 0.042 0.000 2.580 873 S HA 0.036 4.507 4.470 0.002 0.000 0.266 873 S C 1.423 176.047 174.600 0.040 0.000 1.354 873 S CA -0.440 57.786 58.200 0.042 0.000 1.008 873 S CB 0.498 63.723 63.200 0.042 0.000 0.898 873 S HN 0.678 nan 8.310 nan 0.000 0.555 874 L N 1.554 122.802 121.223 0.042 0.000 2.046 874 L HA -0.080 4.261 4.340 0.002 0.000 0.208 874 L C 3.106 179.995 176.870 0.031 0.000 1.077 874 L CA 1.669 56.531 54.840 0.037 0.000 0.747 874 L CB -1.203 40.878 42.059 0.038 0.000 0.896 874 L HN 0.947 nan 8.230 nan 0.000 0.432 875 A N -0.107 122.733 122.820 0.033 0.000 1.883 875 A HA -0.271 4.050 4.320 0.002 0.000 0.217 875 A C 2.185 179.783 177.584 0.024 0.000 1.186 875 A CA 1.979 54.032 52.037 0.028 0.000 0.624 875 A CB -0.580 18.437 19.000 0.029 0.000 0.822 875 A HN 0.430 nan 8.150 nan 0.000 0.444 876 E N -0.449 119.767 120.200 0.026 0.000 2.118 876 E HA -0.238 4.113 4.350 0.002 0.000 0.195 876 E C 2.220 178.834 176.600 0.023 0.000 0.992 876 E CA 1.606 58.021 56.400 0.024 0.000 0.804 876 E CB -0.123 29.594 29.700 0.028 0.000 0.741 876 E HN 0.809 nan 8.360 nan 0.000 0.458 877 Q N -1.260 118.555 119.800 0.026 0.000 2.389 877 Q HA 0.091 4.432 4.340 0.002 0.000 0.204 877 Q C 1.012 177.022 176.000 0.017 0.000 0.944 877 Q CA 0.544 56.362 55.803 0.024 0.000 0.908 877 Q CB 0.716 29.471 28.738 0.029 0.000 1.002 877 Q HN 0.316 nan 8.270 nan 0.000 0.493 878 G N 0.943 109.753 108.800 0.016 0.000 2.204 878 G HA2 -0.204 3.757 3.960 0.002 0.000 0.244 878 G HA3 -0.204 3.757 3.960 0.002 0.000 0.244 878 G C -0.270 174.635 174.900 0.008 0.000 1.062 878 G CA -0.002 45.104 45.100 0.011 0.000 0.798 878 G HN 0.187 nan 8.290 nan 0.000 0.496 879 V N 0.821 120.742 119.914 0.012 0.000 2.340 879 V HA 0.678 4.799 4.120 0.002 0.000 0.277 879 V C 0.795 176.895 176.094 0.011 0.000 1.017 879 V CA 0.375 62.679 62.300 0.008 0.000 0.820 879 V CB 1.091 32.921 31.823 0.011 0.000 1.028 879 V HN 0.803 nan 8.190 nan 0.000 0.436 880 T N -0.448 114.111 114.554 0.007 0.000 3.046 880 T HA 0.278 4.629 4.350 0.002 0.000 0.270 880 T C 0.340 175.044 174.700 0.007 0.000 0.920 880 T CA -0.374 61.733 62.100 0.012 0.000 0.874 880 T CB 0.525 69.402 68.868 0.016 0.000 1.214 880 T HN 0.354 nan 8.240 nan 0.000 0.536 881 K N 2.480 122.878 120.400 -0.002 0.000 2.244 881 K HA 0.449 4.770 4.320 0.002 0.000 0.260 881 K C -0.465 176.125 176.600 -0.018 0.000 0.951 881 K CA -0.445 55.837 56.287 -0.009 0.000 0.826 881 K CB 2.643 35.135 32.500 -0.013 0.000 1.108 881 K HN 0.458 nan 8.250 nan 0.000 0.433 882 E N 2.388 122.577 120.200 -0.019 0.000 2.415 882 E HA 0.052 4.403 4.350 0.002 0.000 0.263 882 E C -0.823 175.751 176.600 -0.043 0.000 0.995 882 E CA -0.308 56.075 56.400 -0.028 0.000 0.915 882 E CB 0.669 30.354 29.700 -0.024 0.000 0.951 882 E HN 0.161 nan 8.360 nan 0.000 0.449 883 V N 6.633 126.513 119.914 -0.055 0.000 2.407 883 V HA 0.218 4.339 4.120 0.002 0.000 0.278 883 V C 0.114 176.148 176.094 -0.100 0.000 1.037 883 V CA -0.587 61.666 62.300 -0.079 0.000 0.900 883 V CB 1.193 32.961 31.823 -0.092 0.000 0.983 883 V HN 0.614 nan 8.190 nan 0.000 0.459 884 I N 7.001 127.500 120.570 -0.119 0.000 2.405 884 I HA 0.389 4.560 4.170 0.002 0.000 0.280 884 I C -2.160 173.822 176.117 -0.224 0.000 1.027 884 I CA -2.138 59.070 61.300 -0.153 0.000 1.161 884 I CB 1.390 39.315 38.000 -0.124 0.000 1.300 884 I HN 0.441 nan 8.210 nan 0.000 0.463 885 P HA 0.251 nan 4.420 nan 0.000 0.272 885 P C -2.022 174.944 177.300 -0.556 0.000 1.240 885 P CA -1.006 61.763 63.100 -0.552 0.000 0.791 885 P CB -0.026 31.090 31.700 -0.974 0.000 0.978 886 P HA 0.037 nan 4.420 nan 0.000 0.245 886 P C -0.359 176.802 177.300 -0.231 0.000 1.206 886 P CA 0.895 63.812 63.100 -0.306 0.000 0.781 886 P CB -0.115 31.516 31.700 -0.116 0.000 0.994 887 Y N -3.314 116.949 120.300 -0.062 0.000 2.633 887 Y HA 0.644 5.195 4.550 0.002 0.000 0.339 887 Y C -0.307 175.562 175.900 -0.052 0.000 1.045 887 Y CA -2.134 55.958 58.100 -0.014 0.000 1.098 887 Y CB 0.195 38.675 38.460 0.033 0.000 1.296 887 Y HN -0.348 nan 8.280 nan 0.000 0.494 888 Y N 0.547 121.034 120.300 0.312 0.000 2.310 888 Y HA 0.526 5.077 4.550 0.002 0.000 0.326 888 Y C -0.036 176.054 175.900 0.317 0.000 1.151 888 Y CA -0.026 58.235 58.100 0.268 0.000 1.195 888 Y CB 1.846 40.451 38.460 0.241 0.000 1.210 888 Y HN 0.609 nan 8.280 nan 0.000 0.483 889 S N 2.252 118.235 115.700 0.471 0.000 2.552 889 S HA 0.617 5.088 4.470 0.002 0.000 0.314 889 S C -1.117 173.803 174.600 0.533 0.000 1.099 889 S CA -0.712 57.728 58.200 0.400 0.000 1.070 889 S CB 1.092 64.407 63.200 0.192 0.000 0.998 889 S HN 0.334 nan 8.310 nan 0.000 0.474 890 V N 4.185 124.330 119.914 0.386 0.000 2.604 890 V HA 0.531 4.652 4.120 0.002 0.000 0.305 890 V C -0.091 176.044 176.094 0.069 0.000 1.043 890 V CA -0.791 61.653 62.300 0.239 0.000 0.888 890 V CB 1.914 33.768 31.823 0.051 0.000 0.995 890 V HN 0.720 nan 8.190 nan 0.000 0.429 891 K N 3.413 123.692 120.400 -0.203 0.000 2.221 891 K HA 0.669 4.990 4.320 0.002 0.000 0.258 891 K C -1.105 175.334 176.600 -0.269 0.000 0.944 891 K CA -0.422 55.605 56.287 -0.432 0.000 0.823 891 K CB 2.094 33.956 32.500 -1.063 0.000 1.113 891 K HN 0.724 nan 8.250 nan 0.000 0.431 892 E N 2.532 122.589 120.200 -0.238 0.000 2.343 892 E HA 0.339 4.690 4.350 0.002 0.000 0.270 892 E C -1.335 175.172 176.600 -0.156 0.000 0.895 892 E CA -0.854 55.428 56.400 -0.196 0.000 0.767 892 E CB 1.798 31.336 29.700 -0.270 0.000 1.248 892 E HN 0.402 nan 8.360 nan 0.000 0.440 893 V N 0.829 120.677 119.914 -0.111 0.000 3.093 893 V HA 0.866 4.987 4.120 0.002 0.000 0.320 893 V C -0.253 175.799 176.094 -0.070 0.000 1.093 893 V CA -0.611 61.636 62.300 -0.090 0.000 1.016 893 V CB 1.530 33.310 31.823 -0.071 0.000 1.096 893 V HN 0.589 nan 8.190 nan 0.000 0.452 894 V N 0.786 120.660 119.914 -0.067 0.000 2.487 894 V HA 0.768 4.889 4.120 0.002 0.000 0.298 894 V C -0.614 175.428 176.094 -0.086 0.000 1.028 894 V CA -0.583 61.681 62.300 -0.061 0.000 0.860 894 V CB 0.881 32.672 31.823 -0.053 0.000 0.991 894 V HN 0.861 nan 8.190 nan 0.000 0.427 895 L N 5.845 127.001 121.223 -0.111 0.000 2.331 895 L HA 0.665 5.006 4.340 0.002 0.000 0.275 895 L C -1.634 175.071 176.870 -0.275 0.000 1.022 895 L CA -1.439 53.241 54.840 -0.267 0.000 0.812 895 L CB 2.342 44.139 42.059 -0.438 0.000 1.257 895 L HN 0.445 nan 8.230 nan 0.000 0.435 896 P HA 0.090 nan 4.420 nan 0.000 0.257 896 P C 1.174 178.367 177.300 -0.178 0.000 1.281 896 P CA 0.094 63.047 63.100 -0.244 0.000 0.826 896 P CB 0.083 31.681 31.700 -0.171 0.000 1.237 897 F N 2.503 122.507 119.950 0.090 0.000 2.147 897 F HA -0.224 4.304 4.527 0.002 0.000 0.301 897 F C 2.013 177.817 175.800 0.007 0.000 1.084 897 F CA 1.465 59.535 58.000 0.117 0.000 1.268 897 F CB -1.900 37.194 39.000 0.158 0.000 1.009 897 F HN 0.141 nan 8.300 nan 0.000 0.486 898 N N 0.317 119.082 118.700 0.110 0.000 2.609 898 N HA -0.149 4.592 4.740 0.002 0.000 0.190 898 N C 1.029 176.456 175.510 -0.139 0.000 1.157 898 N CA 0.807 53.860 53.050 0.005 0.000 0.918 898 N CB -0.332 38.157 38.487 0.003 0.000 0.978 898 N HN 0.232 nan 8.380 nan 0.000 0.448 899 K N -0.363 119.841 120.400 -0.327 0.000 2.354 899 K HA 0.148 4.469 4.320 0.002 0.000 0.194 899 K C -0.495 175.614 176.600 -0.818 0.000 1.045 899 K CA 0.158 56.050 56.287 -0.657 0.000 1.026 899 K CB 0.390 32.254 32.500 -1.060 0.000 0.866 899 K HN 0.173 nan 8.250 nan 0.000 0.530 900 F N 1.243 121.169 119.950 -0.040 0.000 2.710 900 F HA 0.290 4.818 4.527 0.001 0.000 0.345 900 F C -1.892 173.942 175.800 0.057 0.000 1.362 900 F CA -2.438 55.563 58.000 0.003 0.000 1.175 900 F CB 1.308 40.279 39.000 -0.049 0.000 1.561 900 F HN -0.180 nan 8.300 nan 0.000 0.593 901 P HA -0.158 nan 4.420 nan 0.000 0.216 901 P C 1.897 179.252 177.300 0.091 0.000 1.150 901 P CA 1.623 64.773 63.100 0.083 0.000 0.843 901 P CB 0.228 31.941 31.700 0.021 0.000 0.787 902 G N -0.267 108.605 108.800 0.120 0.000 2.470 902 G HA2 -0.107 3.854 3.960 0.002 0.000 0.220 902 G HA3 -0.107 3.854 3.960 0.002 0.000 0.220 902 G C 0.518 175.475 174.900 0.094 0.000 1.121 902 G CA 0.178 45.332 45.100 0.089 0.000 0.766 902 G HN 0.219 nan 8.290 nan 0.000 0.553 903 V N 1.337 121.348 119.914 0.162 0.000 2.614 903 V HA 0.125 4.246 4.120 0.002 0.000 0.291 903 V C 0.010 176.123 176.094 0.031 0.000 1.049 903 V CA -0.954 61.445 62.300 0.164 0.000 1.038 903 V CB 1.595 33.636 31.823 0.362 0.000 0.980 903 V HN 0.167 nan 8.190 nan 0.000 0.481 904 D N 7.008 127.382 120.400 -0.043 0.000 2.344 904 D HA 0.145 4.786 4.640 0.002 0.000 0.253 904 D C -1.891 174.166 176.300 -0.405 0.000 1.255 904 D CA -2.054 51.850 54.000 -0.160 0.000 0.894 904 D CB 1.362 42.099 40.800 -0.105 0.000 1.067 904 D HN 0.312 nan 8.370 nan 0.000 0.492 905 P HA 0.066 nan 4.420 nan 0.000 0.262 905 P C -0.269 176.593 177.300 -0.731 0.000 1.647 905 P CA -0.063 62.281 63.100 -1.259 0.000 0.865 905 P CB -0.628 30.798 31.700 -0.456 0.000 1.834 906 L N -1.036 119.895 121.223 -0.487 0.000 2.325 906 L HA 0.483 4.824 4.340 0.002 0.000 0.278 906 L C -0.557 176.342 176.870 0.048 0.000 1.023 906 L CA -1.140 53.630 54.840 -0.116 0.000 0.811 906 L CB 1.200 43.210 42.059 -0.082 0.000 1.249 906 L HN -0.210 nan 8.230 nan 0.000 0.431 907 L N 3.965 125.262 121.223 0.124 0.000 2.439 907 L HA 0.841 5.182 4.340 0.002 0.000 0.261 907 L C 0.747 177.686 176.870 0.115 0.000 1.153 907 L CA 0.109 55.048 54.840 0.165 0.000 0.808 907 L CB 0.814 42.971 42.059 0.164 0.000 1.126 907 L HN 0.937 nan 8.230 nan 0.000 0.460 908 G N 0.243 109.116 108.800 0.122 0.000 2.561 908 G HA2 0.345 4.306 3.960 0.002 0.000 0.310 908 G HA3 0.345 4.306 3.960 0.002 0.000 0.310 908 G C -2.649 172.314 174.900 0.106 0.000 1.292 908 G CA -0.346 44.803 45.100 0.082 0.000 0.811 908 G HN 0.320 nan 8.290 nan 0.000 0.482 909 P HA 0.023 nan 4.420 nan 0.000 0.230 909 P C 0.306 177.717 177.300 0.185 0.000 1.158 909 P CA 0.960 64.125 63.100 0.108 0.000 0.769 909 P CB 0.358 32.073 31.700 0.025 0.000 0.807 910 E N -0.059 120.196 120.200 0.092 0.000 2.179 910 E HA 0.348 4.699 4.350 0.002 0.000 0.275 910 E C -0.534 175.997 176.600 -0.115 0.000 0.945 910 E CA -1.040 55.353 56.400 -0.011 0.000 0.792 910 E CB 0.902 30.568 29.700 -0.056 0.000 1.125 910 E HN -0.135 nan 8.360 nan 0.000 0.397 911 M N 4.616 123.965 119.600 -0.419 0.000 2.188 911 M HA 0.193 4.674 4.480 0.002 0.000 0.354 911 M C 0.018 176.190 176.300 -0.214 0.000 1.342 911 M CA 0.301 55.363 55.300 -0.397 0.000 1.117 911 M CB 0.406 32.565 32.600 -0.734 0.000 1.670 911 M HN 0.588 nan 8.290 nan 0.000 0.466 912 R N 1.360 121.797 120.500 -0.106 0.000 2.521 912 R HA 0.175 4.516 4.340 0.002 0.000 0.289 912 R C 0.183 176.459 176.300 -0.040 0.000 0.936 912 R CA 0.152 56.212 56.100 -0.066 0.000 1.089 912 R CB 0.703 31.002 30.300 -0.003 0.000 1.348 912 R HN 0.842 nan 8.270 nan 0.000 0.536 913 S N -0.595 115.064 115.700 -0.068 0.000 2.579 913 S HA 0.039 4.510 4.470 0.002 0.000 0.275 913 S C 1.197 175.770 174.600 -0.044 0.000 1.345 913 S CA 0.200 58.354 58.200 -0.076 0.000 1.031 913 S CB 1.501 64.663 63.200 -0.064 0.000 0.892 913 S HN 0.282 nan 8.310 nan 0.000 0.529 914 T N -1.066 113.459 114.554 -0.048 0.000 3.023 914 T HA 0.506 4.857 4.350 0.002 0.000 0.249 914 T C 0.834 175.512 174.700 -0.036 0.000 1.050 914 T CA 0.259 62.341 62.100 -0.030 0.000 1.088 914 T CB -0.216 68.632 68.868 -0.033 0.000 0.946 914 T HN 1.116 nan 8.240 nan 0.000 0.480 915 G N 0.549 109.319 108.800 -0.050 0.000 2.749 915 G HA2 0.634 4.595 3.960 0.002 0.000 0.300 915 G HA3 0.634 4.595 3.960 0.002 0.000 0.300 915 G C -2.070 172.787 174.900 -0.071 0.000 1.352 915 G CA -0.868 44.200 45.100 -0.053 0.000 0.789 915 G HN 0.553 nan 8.290 nan 0.000 0.509 916 E N -2.156 117.998 120.200 -0.078 0.000 2.430 916 E HA 0.657 5.008 4.350 0.002 0.000 0.279 916 E C -1.150 175.398 176.600 -0.086 0.000 1.003 916 E CA -1.062 55.277 56.400 -0.101 0.000 0.801 916 E CB 2.185 31.802 29.700 -0.139 0.000 1.313 916 E HN 1.145 nan 8.360 nan 0.000 0.459 917 V N -1.694 118.160 119.914 -0.101 0.000 3.141 917 V HA 0.753 4.873 4.120 0.002 0.000 0.312 917 V C -0.670 175.386 176.094 -0.063 0.000 1.157 917 V CA -1.092 61.164 62.300 -0.073 0.000 1.041 917 V CB 1.943 33.718 31.823 -0.079 0.000 1.071 917 V HN 0.908 nan 8.190 nan 0.000 0.441 918 M N 2.083 121.681 119.600 -0.003 0.000 2.326 918 M HA 0.802 5.283 4.480 0.002 0.000 0.306 918 M C -0.361 175.955 176.300 0.026 0.000 1.054 918 M CA -0.279 55.069 55.300 0.082 0.000 0.922 918 M CB 1.763 34.505 32.600 0.236 0.000 1.632 918 M HN 1.170 nan 8.290 nan 0.000 0.436 919 G N 3.558 112.375 108.800 0.027 0.000 2.478 919 G HA2 0.613 4.574 3.960 0.002 0.000 0.317 919 G HA3 0.613 4.574 3.960 0.002 0.000 0.317 919 G C -1.496 173.422 174.900 0.031 0.000 1.259 919 G CA -0.459 44.624 45.100 -0.029 0.000 0.933 919 G HN 0.585 nan 8.290 nan 0.000 0.478 920 V N 1.917 121.826 119.914 -0.008 0.000 2.357 920 V HA 0.839 4.960 4.120 0.002 0.000 0.284 920 V C 0.671 176.768 176.094 0.004 0.000 1.018 920 V CA -0.205 62.087 62.300 -0.013 0.000 0.841 920 V CB 0.909 32.640 31.823 -0.154 0.000 0.991 920 V HN 1.000 nan 8.190 nan 0.000 0.437 921 G N 3.511 112.374 108.800 0.105 0.000 2.694 921 G HA2 0.542 4.503 3.960 0.002 0.000 0.290 921 G HA3 0.542 4.503 3.960 0.002 0.000 0.290 921 G C 0.078 175.109 174.900 0.219 0.000 1.386 921 G CA -0.820 44.344 45.100 0.107 0.000 0.872 921 G HN 0.552 nan 8.290 nan 0.000 0.475 922 R N -0.976 119.625 120.500 0.169 0.000 2.148 922 R HA 0.101 4.442 4.340 0.002 0.000 0.223 922 R C 1.179 177.655 176.300 0.294 0.000 1.088 922 R CA 1.479 57.701 56.100 0.204 0.000 0.985 922 R CB -0.164 30.213 30.300 0.129 0.000 0.880 922 R HN 0.614 nan 8.270 nan 0.000 0.451 923 T N -3.796 110.905 114.554 0.245 0.000 2.907 923 T HA 0.233 4.584 4.350 0.002 0.000 0.290 923 T C 0.473 175.157 174.700 -0.027 0.000 1.066 923 T CA -0.923 61.299 62.100 0.204 0.000 1.012 923 T CB 1.367 70.293 68.868 0.095 0.000 1.184 923 T HN 0.040 nan 8.240 nan 0.000 0.522 924 F N 1.467 121.052 119.950 -0.608 0.000 2.134 924 F HA 0.071 4.599 4.527 0.002 0.000 0.299 924 F C 2.538 178.192 175.800 -0.244 0.000 1.097 924 F CA 1.867 59.427 58.000 -0.733 0.000 1.264 924 F CB -0.770 37.737 39.000 -0.822 0.000 1.001 924 F HN 0.742 nan 8.300 nan 0.000 0.479 925 A N 0.090 122.796 122.820 -0.191 0.000 1.908 925 A HA -0.285 4.036 4.320 0.002 0.000 0.218 925 A C 2.273 179.754 177.584 -0.172 0.000 1.181 925 A CA 2.010 53.939 52.037 -0.179 0.000 0.627 925 A CB -1.121 17.868 19.000 -0.018 0.000 0.818 925 A HN 0.619 nan 8.150 nan 0.000 0.445 926 E N -0.304 119.831 120.200 -0.108 0.000 2.072 926 E HA -0.100 4.251 4.350 0.002 0.000 0.191 926 E C 2.199 178.733 176.600 -0.111 0.000 0.985 926 E CA 0.924 57.277 56.400 -0.078 0.000 0.801 926 E CB -0.243 29.445 29.700 -0.021 0.000 0.750 926 E HN 0.533 nan 8.360 nan 0.000 0.452 927 A N 0.753 123.500 122.820 -0.122 0.000 1.883 927 A HA -0.199 4.122 4.320 0.002 0.000 0.217 927 A C 2.012 179.464 177.584 -0.220 0.000 1.186 927 A CA 1.374 53.346 52.037 -0.108 0.000 0.624 927 A CB -0.984 18.018 19.000 0.003 0.000 0.822 927 A HN 0.488 nan 8.150 nan 0.000 0.444 928 F N 0.759 120.382 119.950 -0.545 0.000 2.134 928 F HA -0.093 4.435 4.527 0.002 0.000 0.299 928 F C 2.582 178.186 175.800 -0.325 0.000 1.097 928 F CA 1.276 58.950 58.000 -0.545 0.000 1.264 928 F CB -0.283 38.177 39.000 -0.900 0.000 1.001 928 F HN 0.265 nan 8.300 nan 0.000 0.479 929 A N 0.088 122.797 122.820 -0.185 0.000 1.883 929 A HA -0.254 4.066 4.320 0.002 0.000 0.217 929 A C 2.191 179.631 177.584 -0.241 0.000 1.186 929 A CA 2.125 54.053 52.037 -0.181 0.000 0.624 929 A CB -0.715 18.212 19.000 -0.122 0.000 0.822 929 A HN 0.442 nan 8.150 nan 0.000 0.444 930 K N -0.431 119.841 120.400 -0.213 0.000 2.057 930 K HA 0.016 4.337 4.320 0.002 0.000 0.206 930 K C 2.290 178.756 176.600 -0.224 0.000 1.050 930 K CA 1.085 57.260 56.287 -0.187 0.000 0.935 930 K CB -0.307 32.115 32.500 -0.130 0.000 0.715 930 K HN 0.447 nan 8.250 nan 0.000 0.439 931 A N 1.083 123.720 122.820 -0.305 0.000 1.877 931 A HA -0.256 4.065 4.320 0.002 0.000 0.216 931 A C 2.146 179.494 177.584 -0.393 0.000 1.186 931 A CA 1.556 53.388 52.037 -0.341 0.000 0.620 931 A CB -0.556 18.188 19.000 -0.427 0.000 0.822 931 A HN 0.353 nan 8.150 nan 0.000 0.443 932 Q N -0.980 118.491 119.800 -0.548 0.000 2.050 932 Q HA -0.189 4.152 4.340 0.002 0.000 0.202 932 Q C 2.015 177.852 176.000 -0.272 0.000 0.980 932 Q CA 1.804 57.330 55.803 -0.462 0.000 0.840 932 Q CB -0.237 28.198 28.738 -0.504 0.000 0.898 932 Q HN 0.562 nan 8.270 nan 0.000 0.424 933 L N 0.075 121.151 121.223 -0.244 0.000 2.056 933 L HA 0.023 4.364 4.340 0.002 0.000 0.207 933 L C 2.112 178.910 176.870 -0.121 0.000 1.078 933 L CA 2.280 57.015 54.840 -0.175 0.000 0.749 933 L CB -0.966 40.973 42.059 -0.200 0.000 0.901 933 L HN 0.269 nan 8.230 nan 0.000 0.433 934 G N -1.103 107.616 108.800 -0.135 0.000 2.442 934 G HA2 -0.324 3.637 3.960 0.002 0.000 0.219 934 G HA3 -0.324 3.637 3.960 0.002 0.000 0.219 934 G C 1.524 176.376 174.900 -0.080 0.000 1.141 934 G CA 1.002 46.046 45.100 -0.094 0.000 0.763 934 G HN 0.599 nan 8.290 nan 0.000 0.554 935 S N -0.340 115.295 115.700 -0.108 0.000 2.607 935 S HA 0.008 4.479 4.470 0.002 0.000 0.224 935 S C 1.118 175.694 174.600 -0.039 0.000 0.969 935 S CA 0.835 58.986 58.200 -0.081 0.000 0.927 935 S CB -0.539 62.598 63.200 -0.104 0.000 0.772 935 S HN 0.611 nan 8.310 nan 0.000 0.533 936 N N 0.373 119.057 118.700 -0.028 0.000 2.818 936 N HA -0.193 4.548 4.740 0.002 0.000 0.250 936 N C -0.337 175.192 175.510 0.030 0.000 1.108 936 N CA 0.603 53.658 53.050 0.009 0.000 0.745 936 N CB -1.610 36.885 38.487 0.014 0.000 1.104 936 N HN 0.576 nan 8.380 nan 0.000 0.557 937 S N -0.001 115.702 115.700 0.004 0.000 2.549 937 S HA 0.181 4.652 4.470 0.002 0.000 0.283 937 S C 1.514 176.137 174.600 0.038 0.000 1.320 937 S CA 0.680 58.902 58.200 0.037 0.000 1.058 937 S CB 1.036 64.158 63.200 -0.130 0.000 0.882 937 S HN 0.307 nan 8.310 nan 0.000 0.498 938 T N 3.115 117.745 114.554 0.127 0.000 3.235 938 T HA 0.205 4.556 4.350 0.002 0.000 0.251 938 T C 0.522 175.282 174.700 0.100 0.000 1.060 938 T CA -0.436 61.736 62.100 0.121 0.000 0.949 938 T CB -0.470 68.497 68.868 0.165 0.000 1.020 938 T HN 0.582 nan 8.240 nan 0.000 0.564 939 M N 3.305 122.906 119.600 0.002 0.000 2.261 939 M HA 0.183 4.664 4.480 0.002 0.000 0.350 939 M C -0.215 176.060 176.300 -0.043 0.000 1.343 939 M CA 0.015 55.287 55.300 -0.046 0.000 1.003 939 M CB 0.086 32.502 32.600 -0.307 0.000 1.848 939 M HN 0.060 nan 8.290 nan 0.000 0.456 940 K N 4.716 125.109 120.400 -0.012 0.000 2.238 940 K HA 0.363 4.684 4.320 0.002 0.000 0.239 940 K C -0.177 176.363 176.600 -0.101 0.000 0.987 940 K CA -0.794 55.393 56.287 -0.166 0.000 0.857 940 K CB 1.306 33.566 32.500 -0.400 0.000 1.154 940 K HN 0.604 nan 8.250 nan 0.000 0.439 941 K N 0.884 121.148 120.400 -0.227 0.000 2.410 941 K HA 0.043 4.364 4.320 0.002 0.000 0.200 941 K C -0.341 176.122 176.600 -0.229 0.000 1.023 941 K CA 0.125 56.378 56.287 -0.057 0.000 1.149 941 K CB -0.000 32.496 32.500 -0.006 0.000 0.859 941 K HN 0.630 nan 8.250 nan 0.000 0.514 942 H N -3.268 115.532 119.070 -0.451 0.000 2.981 942 H HA 0.686 5.243 4.556 0.002 0.000 0.327 942 H C 0.106 174.974 175.328 -0.766 0.000 1.342 942 H CA -0.570 55.002 56.048 -0.794 0.000 1.123 942 H CB 1.131 30.690 29.762 -0.339 0.000 1.851 942 H HN 0.066 nan 8.280 nan 0.000 0.531 943 G N -0.213 108.336 108.800 -0.420 0.000 2.342 943 G HA2 0.033 3.994 3.960 0.002 0.000 0.220 943 G HA3 0.033 3.994 3.960 0.002 0.000 0.220 943 G C -1.418 173.542 174.900 0.099 0.000 1.243 943 G CA -0.601 44.477 45.100 -0.036 0.000 1.083 943 G HN 0.799 nan 8.290 nan 0.000 0.500 944 R N 0.235 120.936 120.500 0.335 0.000 2.445 944 R HA 0.722 5.063 4.340 0.002 0.000 0.308 944 R C 0.106 176.758 176.300 0.587 0.000 0.961 944 R CA 0.114 56.485 56.100 0.452 0.000 0.862 944 R CB 1.289 31.804 30.300 0.360 0.000 1.144 944 R HN 1.418 nan 8.270 nan 0.000 0.447 945 A N 4.050 127.157 122.820 0.478 0.000 2.320 945 A HA 0.539 4.860 4.320 0.002 0.000 0.334 945 A C -1.436 176.123 177.584 -0.042 0.000 1.147 945 A CA -0.745 51.440 52.037 0.247 0.000 0.820 945 A CB 1.309 20.411 19.000 0.170 0.000 1.218 945 A HN 0.604 nan 8.150 nan 0.000 0.482 946 L N 2.188 123.193 121.223 -0.363 0.000 2.325 946 L HA 0.700 5.041 4.340 0.002 0.000 0.281 946 L C -1.647 175.013 176.870 -0.351 0.000 1.004 946 L CA -0.356 54.142 54.840 -0.570 0.000 0.823 946 L CB 1.158 42.536 42.059 -1.135 0.000 1.236 946 L HN 0.477 nan 8.230 nan 0.000 0.415 947 L N 4.402 125.490 121.223 -0.226 0.000 2.313 947 L HA 0.704 5.045 4.340 0.002 0.000 0.283 947 L C 0.004 176.796 176.870 -0.130 0.000 1.013 947 L CA -0.010 54.734 54.840 -0.160 0.000 0.816 947 L CB 1.663 43.664 42.059 -0.097 0.000 1.236 947 L HN 0.676 nan 8.230 nan 0.000 0.419 948 S N 2.560 118.189 115.700 -0.118 0.000 2.387 948 S HA 0.582 5.053 4.470 0.002 0.000 0.211 948 S C -0.931 173.632 174.600 -0.062 0.000 1.055 948 S CA -0.530 57.620 58.200 -0.083 0.000 1.133 948 S CB 0.457 63.598 63.200 -0.099 0.000 1.235 948 S HN 0.463 nan 8.310 nan 0.000 0.425 949 V N 3.183 123.075 119.914 -0.037 0.000 2.881 949 V HA 0.867 4.988 4.120 0.002 0.000 0.316 949 V C -0.149 175.943 176.094 -0.004 0.000 1.070 949 V CA -1.323 60.967 62.300 -0.017 0.000 0.976 949 V CB 1.521 33.340 31.823 -0.006 0.000 1.038 949 V HN 0.846 nan 8.190 nan 0.000 0.446 950 R N 1.127 121.628 120.500 0.002 0.000 2.577 950 R HA 0.492 4.833 4.340 0.002 0.000 0.269 950 R C 0.978 177.286 176.300 0.014 0.000 1.084 950 R CA -0.327 55.773 56.100 -0.000 0.000 1.163 950 R CB 0.243 30.537 30.300 -0.010 0.000 1.100 950 R HN 0.682 nan 8.270 nan 0.000 0.547 951 E N 1.498 121.704 120.200 0.010 0.000 2.110 951 E HA -0.220 4.131 4.350 0.002 0.000 0.225 951 E C 1.951 178.572 176.600 0.034 0.000 1.063 951 E CA 2.550 58.962 56.400 0.020 0.000 0.906 951 E CB -0.992 28.715 29.700 0.012 0.000 0.795 951 E HN 0.907 nan 8.360 nan 0.000 0.479 952 G N -0.233 108.592 108.800 0.042 0.000 2.586 952 G HA2 -0.214 3.747 3.960 0.002 0.000 0.215 952 G HA3 -0.214 3.747 3.960 0.002 0.000 0.215 952 G C 1.051 175.987 174.900 0.061 0.000 1.128 952 G CA 0.947 46.080 45.100 0.057 0.000 0.774 952 G HN 0.189 nan 8.290 nan 0.000 0.543 953 D N -0.224 120.211 120.400 0.058 0.000 2.388 953 D HA 0.083 4.724 4.640 0.002 0.000 0.208 953 D C 2.228 178.567 176.300 0.065 0.000 1.035 953 D CA 0.144 54.187 54.000 0.071 0.000 0.875 953 D CB 0.082 40.923 40.800 0.067 0.000 0.984 953 D HN 0.175 nan 8.370 nan 0.000 0.508 954 K N 0.744 121.172 120.400 0.048 0.000 2.366 954 K HA -0.161 4.160 4.320 0.002 0.000 0.202 954 K C 1.752 178.381 176.600 0.047 0.000 1.045 954 K CA 0.864 57.175 56.287 0.041 0.000 0.934 954 K CB 0.219 32.739 32.500 0.033 0.000 0.746 954 K HN 0.172 nan 8.250 nan 0.000 0.470 955 E N 0.212 120.445 120.200 0.055 0.000 2.140 955 E HA -0.049 4.302 4.350 0.002 0.000 0.191 955 E C 1.670 178.316 176.600 0.077 0.000 0.973 955 E CA 0.428 56.860 56.400 0.055 0.000 0.829 955 E CB 0.317 30.043 29.700 0.044 0.000 0.781 955 E HN 0.171 nan 8.360 nan 0.000 0.466 956 R N 0.030 120.596 120.500 0.110 0.000 2.246 956 R HA 0.042 4.383 4.340 0.002 0.000 0.199 956 R C 2.223 178.678 176.300 0.258 0.000 0.984 956 R CA 0.058 56.270 56.100 0.187 0.000 1.015 956 R CB 0.245 30.683 30.300 0.229 0.000 0.930 956 R HN 0.024 nan 8.270 nan 0.000 0.475 957 V N 0.437 120.436 119.914 0.143 0.000 2.392 957 V HA -0.230 3.891 4.120 0.002 0.000 0.249 957 V C 1.952 178.076 176.094 0.050 0.000 1.059 957 V CA 1.694 64.034 62.300 0.066 0.000 1.051 957 V CB -0.047 31.793 31.823 0.029 0.000 0.658 957 V HN 0.102 nan 8.190 nan 0.000 0.455 958 V N 0.593 120.549 119.914 0.071 0.000 2.250 958 V HA -0.316 3.805 4.120 0.002 0.000 0.250 958 V C 2.442 178.579 176.094 0.072 0.000 1.060 958 V CA 2.733 65.068 62.300 0.058 0.000 1.030 958 V CB -0.889 30.966 31.823 0.054 0.000 0.643 958 V HN 0.728 nan 8.190 nan 0.000 0.445 959 D N -0.625 119.854 120.400 0.132 0.000 2.178 959 D HA -0.149 4.492 4.640 0.002 0.000 0.201 959 D C 1.859 178.246 176.300 0.146 0.000 0.980 959 D CA 0.949 55.052 54.000 0.173 0.000 0.842 959 D CB -0.111 40.843 40.800 0.255 0.000 0.948 959 D HN 0.317 nan 8.370 nan 0.000 0.472 960 L N 0.361 121.605 121.223 0.035 0.000 2.072 960 L HA 0.134 4.475 4.340 0.002 0.000 0.205 960 L C 2.208 178.998 176.870 -0.134 0.000 1.079 960 L CA 1.884 56.566 54.840 -0.263 0.000 0.752 960 L CB -1.131 40.606 42.059 -0.537 0.000 0.906 960 L HN 0.031 nan 8.230 nan 0.000 0.436 961 A N -0.207 122.575 122.820 -0.063 0.000 1.892 961 A HA -0.198 4.123 4.320 0.002 0.000 0.218 961 A C 2.471 180.055 177.584 -0.000 0.000 1.188 961 A CA 2.205 54.225 52.037 -0.028 0.000 0.631 961 A CB -1.296 17.701 19.000 -0.005 0.000 0.822 961 A HN 0.577 nan 8.150 nan 0.000 0.447 962 A N -0.554 122.278 122.820 0.019 0.000 1.908 962 A HA -0.194 4.127 4.320 0.002 0.000 0.218 962 A C 2.126 179.732 177.584 0.037 0.000 1.181 962 A CA 2.033 54.092 52.037 0.036 0.000 0.627 962 A CB -0.466 18.563 19.000 0.048 0.000 0.818 962 A HN 0.553 nan 8.150 nan 0.000 0.445 963 K N -0.524 119.890 120.400 0.024 0.000 2.026 963 K HA -0.051 4.270 4.320 0.002 0.000 0.208 963 K C 1.866 178.467 176.600 0.001 0.000 1.048 963 K CA 1.501 57.798 56.287 0.016 0.000 0.929 963 K CB -0.358 32.140 32.500 -0.004 0.000 0.713 963 K HN 0.485 nan 8.250 nan 0.000 0.439 964 L N 0.713 121.909 121.223 -0.044 0.000 2.083 964 L HA -0.193 4.148 4.340 0.002 0.000 0.209 964 L C 2.291 179.243 176.870 0.137 0.000 1.083 964 L CA 0.942 55.753 54.840 -0.049 0.000 0.752 964 L CB -0.366 41.601 42.059 -0.154 0.000 0.899 964 L HN 0.206 nan 8.230 nan 0.000 0.433 965 L N -0.186 121.095 121.223 0.097 0.000 2.017 965 L HA -0.256 4.085 4.340 0.002 0.000 0.208 965 L C 2.729 179.664 176.870 0.108 0.000 1.073 965 L CA 1.421 56.329 54.840 0.113 0.000 0.745 965 L CB -0.446 41.657 42.059 0.074 0.000 0.894 965 L HN 0.235 nan 8.230 nan 0.000 0.432 966 K N -0.564 119.886 120.400 0.084 0.000 2.152 966 K HA -0.230 4.091 4.320 0.002 0.000 0.206 966 K C 2.163 178.817 176.600 0.091 0.000 1.048 966 K CA 1.201 57.532 56.287 0.073 0.000 0.933 966 K CB 0.073 32.608 32.500 0.058 0.000 0.721 966 K HN 0.264 nan 8.250 nan 0.000 0.447 967 Q N -0.917 118.966 119.800 0.139 0.000 2.297 967 Q HA -0.049 4.292 4.340 0.002 0.000 0.204 967 Q C 0.952 177.040 176.000 0.146 0.000 0.962 967 Q CA 1.346 57.254 55.803 0.175 0.000 0.879 967 Q CB 0.713 29.631 28.738 0.301 0.000 0.947 967 Q HN 0.634 nan 8.270 nan 0.000 0.462 968 G N -0.496 108.394 108.800 0.150 0.000 2.159 968 G HA2 -0.202 3.759 3.960 0.002 0.000 0.170 968 G HA3 -0.202 3.759 3.960 0.002 0.000 0.170 968 G C -0.219 174.689 174.900 0.012 0.000 1.007 968 G CA -0.406 44.726 45.100 0.053 0.000 0.672 968 G HN 0.198 nan 8.290 nan 0.000 0.507 969 F N 1.058 121.040 119.950 0.054 0.000 2.370 969 F HA 0.626 5.154 4.527 0.001 0.000 0.324 969 F C 1.038 176.882 175.800 0.073 0.000 1.116 969 F CA -0.216 57.828 58.000 0.075 0.000 1.123 969 F CB 0.903 39.945 39.000 0.069 0.000 1.238 969 F HN 0.053 nan 8.300 nan 0.000 0.536 970 E N 1.426 121.797 120.200 0.285 0.000 2.222 970 E HA 0.574 4.925 4.350 0.002 0.000 0.272 970 E C -1.197 175.541 176.600 0.230 0.000 0.982 970 E CA -0.707 55.814 56.400 0.201 0.000 0.842 970 E CB 1.706 31.490 29.700 0.139 0.000 1.144 970 E HN 0.368 nan 8.360 nan 0.000 0.397 971 L N 1.524 122.842 121.223 0.158 0.000 2.342 971 L HA 0.533 4.874 4.340 0.002 0.000 0.271 971 L C -0.772 176.166 176.870 0.113 0.000 1.008 971 L CA -0.915 54.003 54.840 0.130 0.000 0.818 971 L CB 1.759 43.863 42.059 0.076 0.000 1.296 971 L HN 0.438 nan 8.230 nan 0.000 0.427 972 D N 0.762 121.214 120.400 0.086 0.000 2.527 972 D HA 0.857 5.498 4.640 0.002 0.000 0.233 972 D C -1.033 175.252 176.300 -0.025 0.000 1.063 972 D CA -0.087 53.957 54.000 0.073 0.000 0.880 972 D CB 2.442 43.356 40.800 0.190 0.000 1.457 972 D HN 0.719 nan 8.370 nan 0.000 0.475 973 A N 0.194 123.003 122.820 -0.018 0.000 2.608 973 A HA 0.675 4.996 4.320 0.002 0.000 0.292 973 A C -0.439 177.130 177.584 -0.025 0.000 1.066 973 A CA -0.796 51.214 52.037 -0.045 0.000 0.676 973 A CB 0.939 19.917 19.000 -0.037 0.000 1.277 973 A HN 0.472 nan 8.150 nan 0.000 0.413 974 T N -1.669 112.871 114.554 -0.024 0.000 2.874 974 T HA 0.454 4.805 4.350 0.002 0.000 0.281 974 T C 1.138 175.862 174.700 0.040 0.000 0.994 974 T CA 0.716 62.823 62.100 0.011 0.000 1.015 974 T CB 0.584 69.458 68.868 0.009 0.000 1.028 974 T HN 0.907 nan 8.240 nan 0.000 0.523 975 H N 1.623 120.687 119.070 -0.010 0.000 2.486 975 H HA -0.244 4.312 4.556 0.001 0.000 0.278 975 H C 2.409 177.738 175.328 0.002 0.000 1.080 975 H CA 2.887 58.935 56.048 0.000 0.000 1.188 975 H CB -0.970 28.796 29.762 0.008 0.000 1.512 975 H HN 0.833 nan 8.280 nan 0.000 0.686 976 G N -1.918 107.067 108.800 0.309 0.000 2.475 976 G HA2 -0.298 3.663 3.960 0.002 0.000 0.220 976 G HA3 -0.298 3.663 3.960 0.002 0.000 0.220 976 G C 1.681 176.622 174.900 0.068 0.000 1.125 976 G CA 1.419 46.638 45.100 0.198 0.000 0.755 976 G HN 0.531 nan 8.290 nan 0.000 0.565 977 T N 1.581 116.158 114.554 0.038 0.000 2.737 977 T HA 0.057 4.408 4.350 0.002 0.000 0.265 977 T C 2.849 177.541 174.700 -0.013 0.000 1.038 977 T CA 1.428 63.532 62.100 0.007 0.000 1.144 977 T CB -0.425 68.438 68.868 -0.009 0.000 0.866 977 T HN 0.373 nan 8.240 nan 0.000 0.434 978 A N 1.629 124.426 122.820 -0.038 0.000 1.978 978 A HA -0.081 4.240 4.320 0.002 0.000 0.220 978 A C 2.238 179.776 177.584 -0.076 0.000 1.170 978 A CA 1.115 53.112 52.037 -0.066 0.000 0.636 978 A CB -0.743 18.197 19.000 -0.101 0.000 0.810 978 A HN 0.399 nan 8.150 nan 0.000 0.448 979 I N -0.265 120.251 120.570 -0.090 0.000 2.127 979 I HA -0.199 3.972 4.170 0.002 0.000 0.241 979 I C 2.541 178.648 176.117 -0.018 0.000 1.075 979 I CA 1.324 62.587 61.300 -0.062 0.000 1.334 979 I CB -1.391 36.601 38.000 -0.014 0.000 1.040 979 I HN 0.162 nan 8.210 nan 0.000 0.405 980 V N 1.130 121.044 119.914 -0.000 0.000 2.287 980 V HA -0.277 3.844 4.120 0.002 0.000 0.248 980 V C 2.641 178.739 176.094 0.007 0.000 1.053 980 V CA 1.635 63.941 62.300 0.010 0.000 1.027 980 V CB -0.556 31.278 31.823 0.019 0.000 0.646 980 V HN 0.328 nan 8.190 nan 0.000 0.447 981 L N 0.162 121.385 121.223 0.000 0.000 2.046 981 L HA -0.096 4.245 4.340 0.002 0.000 0.208 981 L C 2.682 179.553 176.870 0.001 0.000 1.077 981 L CA 1.769 56.611 54.840 0.003 0.000 0.747 981 L CB -1.214 40.844 42.059 -0.002 0.000 0.896 981 L HN 0.473 nan 8.230 nan 0.000 0.432 982 G N -0.239 108.555 108.800 -0.009 0.000 2.469 982 G HA2 -0.264 3.697 3.960 0.002 0.000 0.219 982 G HA3 -0.264 3.697 3.960 0.002 0.000 0.219 982 G C 1.374 176.273 174.900 -0.001 0.000 1.150 982 G CA 0.747 45.841 45.100 -0.010 0.000 0.763 982 G HN 0.464 nan 8.290 nan 0.000 0.561 983 E N 0.546 120.747 120.200 0.001 0.000 2.268 983 E HA 0.031 4.382 4.350 0.002 0.000 0.195 983 E C 2.539 179.146 176.600 0.011 0.000 0.995 983 E CA 0.628 57.032 56.400 0.007 0.000 0.836 983 E CB -0.071 29.635 29.700 0.010 0.000 0.763 983 E HN 0.469 nan 8.360 nan 0.000 0.491 984 A N 0.286 123.113 122.820 0.012 0.000 2.275 984 A HA 0.340 4.661 4.320 0.002 0.000 0.212 984 A C 1.689 179.283 177.584 0.016 0.000 1.201 984 A CA 0.709 52.756 52.037 0.017 0.000 0.843 984 A CB 0.141 19.154 19.000 0.021 0.000 0.873 984 A HN 0.307 nan 8.150 nan 0.000 0.492 985 G N -1.027 107.781 108.800 0.013 0.000 2.159 985 G HA2 -0.173 3.788 3.960 0.002 0.000 0.227 985 G HA3 -0.173 3.788 3.960 0.002 0.000 0.227 985 G C 0.013 174.921 174.900 0.014 0.000 0.986 985 G CA 0.100 45.208 45.100 0.013 0.000 0.651 985 G HN 0.412 nan 8.290 nan 0.000 0.523 986 I N 1.431 122.009 120.570 0.014 0.000 2.339 986 I HA 0.289 4.460 4.170 0.002 0.000 0.290 986 I C -0.182 175.940 176.117 0.009 0.000 0.994 986 I CA -0.519 60.790 61.300 0.016 0.000 1.191 986 I CB 1.318 39.329 38.000 0.019 0.000 1.343 986 I HN 0.081 nan 8.210 nan 0.000 0.458 987 N N 8.458 127.165 118.700 0.011 0.000 2.621 987 N HA 0.347 5.088 4.740 0.002 0.000 0.237 987 N C -2.376 173.141 175.510 0.013 0.000 0.997 987 N CA -1.278 51.775 53.050 0.005 0.000 0.918 987 N CB 1.244 39.734 38.487 0.005 0.000 1.122 987 N HN 0.389 nan 8.380 nan 0.000 0.510 988 P HA 0.151 nan 4.420 nan 0.000 0.279 988 P C -0.668 176.644 177.300 0.019 0.000 1.276 988 P CA -0.543 62.570 63.100 0.021 0.000 0.801 988 P CB 1.210 32.917 31.700 0.011 0.000 1.127 989 R N 0.876 121.398 120.500 0.038 0.000 2.267 989 R HA 0.262 4.603 4.340 0.002 0.000 0.319 989 R C -0.163 176.157 176.300 0.033 0.000 1.067 989 R CA -0.676 55.447 56.100 0.039 0.000 0.936 989 R CB -0.109 30.227 30.300 0.061 0.000 1.006 989 R HN 0.316 nan 8.270 nan 0.000 0.452 990 L N 4.986 126.218 121.223 0.014 0.000 2.485 990 L HA 0.188 4.529 4.340 0.002 0.000 0.275 990 L C -0.810 176.079 176.870 0.033 0.000 1.207 990 L CA 0.575 55.420 54.840 0.008 0.000 0.855 990 L CB 1.383 43.435 42.059 -0.011 0.000 1.114 990 L HN 0.478 nan 8.230 nan 0.000 0.485 991 V N 5.771 125.706 119.914 0.036 0.000 2.709 991 V HA 0.455 4.576 4.120 0.002 0.000 0.308 991 V C -0.389 175.729 176.094 0.039 0.000 1.062 991 V CA -0.744 61.590 62.300 0.057 0.000 0.901 991 V CB 2.188 34.072 31.823 0.100 0.000 1.003 991 V HN 0.945 nan 8.190 nan 0.000 0.425 992 N N 4.677 123.402 118.700 0.041 0.000 2.472 992 N HA 0.348 5.089 4.740 0.002 0.000 0.277 992 N C -0.521 174.981 175.510 -0.014 0.000 1.081 992 N CA -0.544 52.513 53.050 0.012 0.000 0.973 992 N CB 0.972 39.469 38.487 0.015 0.000 1.105 992 N HN 0.596 nan 8.380 nan 0.000 0.470 993 K N 0.921 121.242 120.400 -0.132 0.000 2.187 993 K HA 0.051 4.372 4.320 0.002 0.000 0.247 993 K C 1.064 177.516 176.600 -0.246 0.000 1.019 993 K CA -0.570 55.581 56.287 -0.227 0.000 0.893 993 K CB 0.616 32.879 32.500 -0.395 0.000 1.025 993 K HN 0.224 nan 8.250 nan 0.000 0.500 994 V N 1.150 120.931 119.914 -0.223 0.000 2.324 994 V HA -0.281 3.840 4.120 0.002 0.000 0.250 994 V C 2.070 178.139 176.094 -0.041 0.000 1.060 994 V CA 2.280 64.485 62.300 -0.158 0.000 1.042 994 V CB -1.273 30.406 31.823 -0.241 0.000 0.650 994 V HN 0.840 nan 8.190 nan 0.000 0.450 995 H N -0.674 118.404 119.070 0.013 0.000 2.556 995 H HA 0.089 4.645 4.556 0.001 0.000 0.268 995 H C 1.847 177.194 175.328 0.031 0.000 0.996 995 H CA 1.064 57.123 56.048 0.018 0.000 1.157 995 H CB -0.402 29.357 29.762 -0.004 0.000 1.355 995 H HN 0.484 nan 8.280 nan 0.000 0.597 996 E N 0.116 120.177 120.200 -0.231 0.000 2.122 996 E HA 0.217 4.568 4.350 0.002 0.000 0.190 996 E C 1.107 177.709 176.600 0.002 0.000 0.977 996 E CA 0.663 57.006 56.400 -0.095 0.000 0.820 996 E CB 0.303 29.899 29.700 -0.173 0.000 0.770 996 E HN 0.654 nan 8.360 nan 0.000 0.462 997 G N -0.167 108.645 108.800 0.021 0.000 2.272 997 G HA2 0.085 4.046 3.960 0.002 0.000 0.068 997 G HA3 0.085 4.046 3.960 0.002 0.000 0.068 997 G C -1.093 173.812 174.900 0.009 0.000 1.073 997 G CA -0.749 44.367 45.100 0.027 0.000 1.154 997 G HN 0.046 nan 8.290 nan 0.000 0.429 998 R N 0.119 120.599 120.500 -0.033 0.000 2.663 998 R HA 0.566 4.907 4.340 0.002 0.000 0.267 998 R C -2.785 173.473 176.300 -0.070 0.000 1.038 998 R CA -1.077 54.963 56.100 -0.101 0.000 0.886 998 R CB 2.258 32.464 30.300 -0.156 0.000 1.249 998 R HN 0.478 nan 8.270 nan 0.000 0.463 999 P HA 0.239 nan 4.420 nan 0.000 0.278 999 P C -1.226 176.034 177.300 -0.067 0.000 1.258 999 P CA -0.502 62.500 63.100 -0.162 0.000 0.811 999 P CB 0.553 32.155 31.700 -0.163 0.000 1.063 1000 H N -0.545 118.519 119.070 -0.011 0.000 2.595 1000 H HA 0.274 4.830 4.556 0.001 0.000 0.346 1000 H C 0.997 176.338 175.328 0.022 0.000 1.181 1000 H CA -0.897 55.147 56.048 -0.008 0.000 1.242 1000 H CB 1.034 30.779 29.762 -0.029 0.000 1.652 1000 H HN 0.188 nan 8.280 nan 0.000 0.548 1001 I N -0.906 119.818 120.570 0.256 0.000 2.185 1001 I HA -0.346 3.825 4.170 0.002 0.000 0.246 1001 I C 2.524 178.772 176.117 0.219 0.000 1.088 1001 I CA 1.709 63.141 61.300 0.220 0.000 1.347 1001 I CB -0.972 37.080 38.000 0.087 0.000 1.041 1001 I HN 0.733 nan 8.210 nan 0.000 0.415 1002 Q N 0.557 120.462 119.800 0.177 0.000 2.096 1002 Q HA -0.257 4.084 4.340 0.002 0.000 0.204 1002 Q C 1.904 178.025 176.000 0.201 0.000 0.982 1002 Q CA 2.112 57.977 55.803 0.103 0.000 0.850 1002 Q CB -0.135 28.473 28.738 -0.216 0.000 0.901 1002 Q HN 0.630 nan 8.270 nan 0.000 0.422 1003 D N -0.186 120.473 120.400 0.433 0.000 2.084 1003 D HA -0.120 4.520 4.640 0.002 0.000 0.196 1003 D C 2.071 178.356 176.300 -0.026 0.000 0.985 1003 D CA 0.935 54.995 54.000 0.101 0.000 0.826 1003 D CB -0.081 40.634 40.800 -0.142 0.000 0.978 1003 D HN 0.244 nan 8.370 nan 0.000 0.456 1004 R N 0.410 120.914 120.500 0.007 0.000 2.083 1004 R HA -0.084 4.257 4.340 0.002 0.000 0.237 1004 R C 2.615 178.797 176.300 -0.197 0.000 1.137 1004 R CA 0.725 56.746 56.100 -0.131 0.000 0.951 1004 R CB -0.465 29.782 30.300 -0.088 0.000 0.851 1004 R HN 0.278 nan 8.270 nan 0.000 0.434 1005 I N 1.213 121.793 120.570 0.016 0.000 2.127 1005 I HA -0.335 3.836 4.170 0.002 0.000 0.241 1005 I C 2.708 178.687 176.117 -0.230 0.000 1.075 1005 I CA 1.531 62.857 61.300 0.044 0.000 1.334 1005 I CB -0.422 37.672 38.000 0.156 0.000 1.040 1005 I HN 0.199 nan 8.210 nan 0.000 0.405 1006 K N 1.603 121.761 120.400 -0.403 0.000 2.152 1006 K HA -0.187 4.134 4.320 0.002 0.000 0.206 1006 K C 1.242 177.494 176.600 -0.580 0.000 1.048 1006 K CA 1.998 57.710 56.287 -0.958 0.000 0.933 1006 K CB -0.290 31.810 32.500 -0.667 0.000 0.721 1006 K HN 0.410 nan 8.250 nan 0.000 0.447 1007 N N -0.253 118.257 118.700 -0.315 0.000 2.449 1007 N HA 0.071 4.812 4.740 0.002 0.000 0.191 1007 N C 0.292 175.693 175.510 -0.183 0.000 1.161 1007 N CA 0.362 53.283 53.050 -0.216 0.000 0.863 1007 N CB 0.630 39.019 38.487 -0.164 0.000 0.980 1007 N HN 0.460 nan 8.380 nan 0.000 0.458 1008 G N 1.004 109.689 108.800 -0.191 0.000 2.153 1008 G HA2 -0.310 3.651 3.960 0.002 0.000 0.252 1008 G HA3 -0.310 3.651 3.960 0.002 0.000 0.252 1008 G C 0.819 175.638 174.900 -0.136 0.000 0.994 1008 G CA 0.235 45.272 45.100 -0.105 0.000 0.698 1008 G HN 0.380 nan 8.290 nan 0.000 0.521 1009 E N -1.081 118.940 120.200 -0.299 0.000 2.085 1009 E HA -0.103 4.248 4.350 0.002 0.000 0.194 1009 E C 0.473 176.869 176.600 -0.341 0.000 0.994 1009 E CA 1.214 57.349 56.400 -0.442 0.000 0.801 1009 E CB -0.026 29.192 29.700 -0.804 0.000 0.743 1009 E HN 0.689 nan 8.360 nan 0.000 0.453 1010 Y N 0.143 120.486 120.300 0.071 0.000 2.334 1010 Y HA 0.117 4.668 4.550 0.001 0.000 0.328 1010 Y C 1.551 177.548 175.900 0.161 0.000 1.130 1010 Y CA -0.306 57.866 58.100 0.119 0.000 1.163 1010 Y CB 1.256 39.771 38.460 0.092 0.000 1.207 1010 Y HN -0.138 nan 8.280 nan 0.000 0.471 1011 T N -2.143 112.660 114.554 0.414 0.000 3.054 1011 T HA 0.222 4.573 4.350 0.002 0.000 0.255 1011 T C -0.681 174.305 174.700 0.476 0.000 1.035 1011 T CA -0.012 62.307 62.100 0.364 0.000 0.941 1011 T CB -0.261 68.770 68.868 0.272 0.000 1.026 1011 T HN 0.516 nan 8.240 nan 0.000 0.533 1012 Y N 0.163 120.632 120.300 0.283 0.000 2.521 1012 Y HA 0.619 5.170 4.550 0.002 0.000 0.328 1012 Y C -2.419 173.520 175.900 0.065 0.000 1.151 1012 Y CA -2.489 55.712 58.100 0.169 0.000 1.054 1012 Y CB 1.269 39.758 38.460 0.047 0.000 1.338 1012 Y HN 0.144 nan 8.280 nan 0.000 0.453 1013 I N 6.827 126.923 120.570 -0.791 0.000 2.533 1013 I HA 0.488 4.659 4.170 0.002 0.000 0.290 1013 I C -1.414 174.184 176.117 -0.865 0.000 1.056 1013 I CA -0.955 59.925 61.300 -0.700 0.000 1.057 1013 I CB 2.205 40.021 38.000 -0.307 0.000 1.240 1013 I HN 0.559 nan 8.210 nan 0.000 0.423 1014 I N 6.761 126.965 120.570 -0.611 0.000 2.411 1014 I HA 0.408 4.579 4.170 0.002 0.000 0.284 1014 I C -1.068 174.930 176.117 -0.198 0.000 1.012 1014 I CA 0.087 61.175 61.300 -0.353 0.000 1.119 1014 I CB 1.013 38.868 38.000 -0.241 0.000 1.261 1014 I HN 0.610 nan 8.210 nan 0.000 0.448 1015 N N 5.312 123.942 118.700 -0.118 0.000 2.519 1015 N HA 0.415 5.156 4.740 0.002 0.000 0.286 1015 N C -1.448 174.043 175.510 -0.032 0.000 1.079 1015 N CA -0.317 52.682 53.050 -0.085 0.000 0.878 1015 N CB 1.309 39.731 38.487 -0.109 0.000 1.375 1015 N HN 0.635 nan 8.380 nan 0.000 0.514 1016 T N 0.359 114.899 114.554 -0.023 0.000 2.807 1016 T HA 0.525 4.876 4.350 0.002 0.000 0.279 1016 T C -0.332 174.362 174.700 -0.010 0.000 0.993 1016 T CA -0.395 61.708 62.100 0.004 0.000 0.970 1016 T CB 1.793 70.678 68.868 0.029 0.000 0.950 1016 T HN 0.200 nan 8.240 nan 0.000 0.441 1017 T N 2.015 116.562 114.554 -0.012 0.000 2.906 1017 T HA 0.741 5.092 4.350 0.002 0.000 0.295 1017 T C -0.924 173.744 174.700 -0.053 0.000 1.061 1017 T CA -0.751 61.326 62.100 -0.038 0.000 1.000 1017 T CB 1.884 70.723 68.868 -0.048 0.000 1.103 1017 T HN 0.748 nan 8.240 nan 0.000 0.486 1018 S N 0.805 116.439 115.700 -0.110 0.000 2.668 1018 S HA 0.703 5.174 4.470 0.002 0.000 0.277 1018 S C -0.517 173.873 174.600 -0.349 0.000 1.170 1018 S CA 0.261 58.327 58.200 -0.223 0.000 0.994 1018 S CB 0.687 63.749 63.200 -0.229 0.000 1.051 1018 S HN 1.456 nan 8.310 nan 0.000 0.484 1019 G N 3.734 112.283 108.800 -0.418 0.000 3.367 1019 G HA2 -0.068 3.893 3.960 0.002 0.000 0.686 1019 G HA3 -0.068 3.893 3.960 0.002 0.000 0.686 1019 G C 0.034 174.844 174.900 -0.149 0.000 1.146 1019 G CA -0.172 44.719 45.100 -0.347 0.000 0.913 1019 G HN 0.728 nan 8.290 nan 0.000 0.554 1020 R N 0.825 121.280 120.500 -0.075 0.000 2.159 1020 R HA -0.175 4.166 4.340 0.002 0.000 0.252 1020 R C 2.678 178.953 176.300 -0.041 0.000 1.144 1020 R CA 2.701 58.783 56.100 -0.030 0.000 0.961 1020 R CB -0.212 30.094 30.300 0.010 0.000 0.877 1020 R HN 0.604 nan 8.270 nan 0.000 0.444 1021 R N -0.886 119.585 120.500 -0.049 0.000 2.062 1021 R HA 0.010 4.351 4.340 0.002 0.000 0.229 1021 R C 2.041 178.307 176.300 -0.057 0.000 1.128 1021 R CA 1.417 57.488 56.100 -0.048 0.000 0.960 1021 R CB -0.492 29.779 30.300 -0.047 0.000 0.855 1021 R HN 0.344 nan 8.270 nan 0.000 0.432 1022 A N 1.047 123.822 122.820 -0.074 0.000 1.978 1022 A HA -0.151 4.170 4.320 0.002 0.000 0.220 1022 A C 2.200 179.747 177.584 -0.062 0.000 1.170 1022 A CA 1.184 53.178 52.037 -0.071 0.000 0.636 1022 A CB -0.440 18.505 19.000 -0.091 0.000 0.810 1022 A HN 0.257 nan 8.150 nan 0.000 0.448 1023 I N -0.664 119.867 120.570 -0.065 0.000 2.133 1023 I HA -0.237 3.934 4.170 0.002 0.000 0.238 1023 I C 2.447 178.534 176.117 -0.050 0.000 1.074 1023 I CA 1.649 62.915 61.300 -0.057 0.000 1.342 1023 I CB -0.538 37.432 38.000 -0.051 0.000 1.053 1023 I HN 0.411 nan 8.210 nan 0.000 0.404 1024 E N 0.686 120.861 120.200 -0.043 0.000 2.219 1024 E HA -0.258 4.093 4.350 0.002 0.000 0.198 1024 E C 1.552 178.129 176.600 -0.039 0.000 0.998 1024 E CA 1.360 57.738 56.400 -0.038 0.000 0.818 1024 E CB -0.093 29.589 29.700 -0.030 0.000 0.741 1024 E HN 0.472 nan 8.360 nan 0.000 0.477 1025 D N 0.069 120.446 120.400 -0.039 0.000 2.091 1025 D HA -0.086 4.555 4.640 0.002 0.000 0.199 1025 D C 1.934 178.217 176.300 -0.027 0.000 0.980 1025 D CA 1.511 55.494 54.000 -0.029 0.000 0.831 1025 D CB -0.239 40.545 40.800 -0.026 0.000 0.987 1025 D HN 0.099 nan 8.370 nan 0.000 0.460 1026 S N 0.343 116.019 115.700 -0.040 0.000 2.607 1026 S HA -0.013 4.457 4.470 0.002 0.000 0.224 1026 S C 1.670 176.222 174.600 -0.079 0.000 0.969 1026 S CA -0.129 58.038 58.200 -0.056 0.000 0.927 1026 S CB 0.036 63.200 63.200 -0.059 0.000 0.772 1026 S HN 0.166 nan 8.310 nan 0.000 0.533 1027 R N 1.476 121.933 120.500 -0.072 0.000 2.139 1027 R HA -0.097 4.244 4.340 0.002 0.000 0.243 1027 R C 2.062 178.303 176.300 -0.100 0.000 1.145 1027 R CA 1.621 57.669 56.100 -0.086 0.000 0.976 1027 R CB -0.668 29.592 30.300 -0.066 0.000 0.866 1027 R HN 0.431 nan 8.270 nan 0.000 0.449 1028 V N 0.806 120.668 119.914 -0.085 0.000 2.515 1028 V HA -0.170 3.951 4.120 0.002 0.000 0.250 1028 V C 2.060 178.092 176.094 -0.104 0.000 1.058 1028 V CA 1.581 63.829 62.300 -0.087 0.000 1.064 1028 V CB -0.179 31.591 31.823 -0.087 0.000 0.675 1028 V HN 0.321 nan 8.190 nan 0.000 0.461 1029 I N -0.078 120.419 120.570 -0.122 0.000 2.163 1029 I HA -0.189 3.982 4.170 0.002 0.000 0.240 1029 I C 2.821 178.796 176.117 -0.236 0.000 1.081 1029 I CA 1.919 63.132 61.300 -0.145 0.000 1.353 1029 I CB -0.445 37.466 38.000 -0.149 0.000 1.054 1029 I HN 0.201 nan 8.210 nan 0.000 0.407 1030 R N 0.356 120.678 120.500 -0.296 0.000 2.081 1030 R HA -0.112 4.229 4.340 0.002 0.000 0.235 1030 R C 2.489 178.539 176.300 -0.417 0.000 1.131 1030 R CA 1.272 57.071 56.100 -0.501 0.000 0.960 1030 R CB -0.315 29.745 30.300 -0.401 0.000 0.856 1030 R HN 0.320 nan 8.270 nan 0.000 0.436 1031 R N 0.173 120.533 120.500 -0.234 0.000 2.083 1031 R HA -0.101 4.240 4.340 0.002 0.000 0.237 1031 R C 2.421 178.649 176.300 -0.121 0.000 1.137 1031 R CA 1.971 57.980 56.100 -0.153 0.000 0.951 1031 R CB -0.317 29.925 30.300 -0.097 0.000 0.851 1031 R HN 0.210 nan 8.270 nan 0.000 0.434 1032 S N 1.156 116.813 115.700 -0.072 0.000 2.356 1032 S HA -0.123 4.347 4.470 0.002 0.000 0.223 1032 S C 2.227 176.879 174.600 0.086 0.000 1.032 1032 S CA 1.089 59.330 58.200 0.069 0.000 1.005 1032 S CB -0.334 62.966 63.200 0.166 0.000 0.867 1032 S HN 0.455 nan 8.310 nan 0.000 0.449 1033 A N 1.667 124.450 122.820 -0.061 0.000 1.917 1033 A HA -0.106 4.215 4.320 0.002 0.000 0.219 1033 A C 2.173 179.777 177.584 0.033 0.000 1.182 1033 A CA 1.644 53.653 52.037 -0.048 0.000 0.633 1033 A CB -0.769 18.041 19.000 -0.316 0.000 0.819 1033 A HN 0.405 nan 8.150 nan 0.000 0.448 1034 L N -0.427 120.761 121.223 -0.057 0.000 2.027 1034 L HA -0.159 4.182 4.340 0.002 0.000 0.206 1034 L C 2.571 179.446 176.870 0.008 0.000 1.074 1034 L CA 2.623 57.510 54.840 0.079 0.000 0.745 1034 L CB -0.812 41.294 42.059 0.078 0.000 0.898 1034 L HN 0.607 nan 8.230 nan 0.000 0.433 1035 Q N -1.303 118.425 119.800 -0.121 0.000 2.077 1035 Q HA -0.268 4.073 4.340 0.002 0.000 0.206 1035 Q C 1.759 177.524 176.000 -0.392 0.000 0.989 1035 Q CA 2.337 57.943 55.803 -0.328 0.000 0.853 1035 Q CB -0.346 28.048 28.738 -0.573 0.000 0.907 1035 Q HN 0.687 nan 8.270 nan 0.000 0.418 1036 Y N 0.316 120.642 120.300 0.044 0.000 2.490 1036 Y HA 0.079 4.630 4.550 0.002 0.000 0.281 1036 Y C -0.018 175.931 175.900 0.083 0.000 1.174 1036 Y CA -0.038 58.096 58.100 0.057 0.000 1.295 1036 Y CB 0.622 39.113 38.460 0.052 0.000 1.062 1036 Y HN -0.009 nan 8.280 nan 0.000 0.522 1037 K N -0.989 119.511 120.400 0.166 0.000 3.125 1037 K HA -0.143 4.178 4.320 0.002 0.000 0.268 1037 K C -0.855 175.875 176.600 0.217 0.000 1.078 1037 K CA 0.254 56.645 56.287 0.173 0.000 0.775 1037 K CB -2.624 29.959 32.500 0.139 0.000 1.253 1037 K HN 0.152 nan 8.250 nan 0.000 0.486 1038 V N 0.903 120.967 119.914 0.250 0.000 2.481 1038 V HA 0.184 4.305 4.120 0.002 0.000 0.286 1038 V C 0.775 177.062 176.094 0.322 0.000 1.042 1038 V CA -0.850 61.614 62.300 0.274 0.000 0.928 1038 V CB 1.444 33.421 31.823 0.256 0.000 0.986 1038 V HN 0.428 nan 8.190 nan 0.000 0.462 1039 H N 4.564 123.788 119.070 0.257 0.000 2.848 1039 H HA 0.392 4.949 4.556 0.002 0.000 0.317 1039 H C -0.725 174.763 175.328 0.267 0.000 1.046 1039 H CA 0.058 56.252 56.048 0.244 0.000 1.470 1039 H CB 0.249 30.152 29.762 0.236 0.000 1.483 1039 H HN 0.638 nan 8.280 nan 0.000 0.548 1040 Y N 1.569 121.499 120.300 -0.617 0.000 2.512 1040 Y HA 0.506 5.057 4.550 0.002 0.000 0.348 1040 Y C -1.401 174.238 175.900 -0.435 0.000 0.990 1040 Y CA -1.378 56.447 58.100 -0.458 0.000 1.033 1040 Y CB 1.446 39.740 38.460 -0.275 0.000 1.259 1040 Y HN 0.417 nan 8.280 nan 0.000 0.461 1041 D N 1.351 121.653 120.400 -0.162 0.000 2.362 1041 D HA 0.248 4.889 4.640 0.002 0.000 0.247 1041 D C 0.257 176.586 176.300 0.047 0.000 1.050 1041 D CA -0.355 53.622 54.000 -0.038 0.000 0.839 1041 D CB 2.169 43.049 40.800 0.132 0.000 1.283 1041 D HN 0.816 nan 8.370 nan 0.000 0.477 1042 T N -2.482 112.118 114.554 0.076 0.000 3.092 1042 T HA 0.160 4.511 4.350 0.002 0.000 0.258 1042 T C 0.595 175.346 174.700 0.085 0.000 1.031 1042 T CA -0.169 61.989 62.100 0.098 0.000 0.925 1042 T CB -0.091 68.855 68.868 0.129 0.000 1.036 1042 T HN 0.379 nan 8.240 nan 0.000 0.544 1043 T N -0.744 113.867 114.554 0.095 0.000 2.886 1043 T HA 0.605 4.956 4.350 0.002 0.000 0.292 1043 T C 0.587 175.361 174.700 0.124 0.000 1.012 1043 T CA -0.871 61.298 62.100 0.115 0.000 0.982 1043 T CB 1.790 70.742 68.868 0.140 0.000 1.018 1043 T HN -0.079 nan 8.240 nan 0.000 0.451 1044 L N 2.576 123.883 121.223 0.139 0.000 2.083 1044 L HA 0.069 4.410 4.340 0.002 0.000 0.209 1044 L C 2.275 179.331 176.870 0.310 0.000 1.083 1044 L CA 1.615 56.563 54.840 0.180 0.000 0.752 1044 L CB -0.837 41.361 42.059 0.231 0.000 0.899 1044 L HN 0.710 nan 8.230 nan 0.000 0.433 1045 N N -0.339 118.523 118.700 0.271 0.000 2.104 1045 N HA -0.137 4.604 4.740 0.002 0.000 0.190 1045 N C 1.798 177.452 175.510 0.241 0.000 1.024 1045 N CA 1.398 54.615 53.050 0.278 0.000 0.853 1045 N CB -0.681 37.923 38.487 0.195 0.000 1.008 1045 N HN 0.444 nan 8.380 nan 0.000 0.424 1046 G N -0.326 108.586 108.800 0.186 0.000 2.422 1046 G HA2 -0.151 3.810 3.960 0.002 0.000 0.218 1046 G HA3 -0.151 3.810 3.960 0.002 0.000 0.218 1046 G C 1.596 176.570 174.900 0.124 0.000 1.146 1046 G CA 1.018 46.213 45.100 0.158 0.000 0.769 1046 G HN 0.435 nan 8.290 nan 0.000 0.547 1047 G N 0.491 109.360 108.800 0.114 0.000 2.440 1047 G HA2 -0.160 3.801 3.960 0.002 0.000 0.218 1047 G HA3 -0.160 3.801 3.960 0.002 0.000 0.218 1047 G C 1.582 176.411 174.900 -0.118 0.000 1.154 1047 G CA 0.726 45.843 45.100 0.030 0.000 0.767 1047 G HN 0.358 nan 8.290 nan 0.000 0.552 1048 F N 1.649 121.601 119.950 0.003 0.000 2.186 1048 F HA 0.092 4.620 4.527 0.002 0.000 0.299 1048 F C 2.994 178.737 175.800 -0.095 0.000 1.090 1048 F CA 0.888 58.871 58.000 -0.028 0.000 1.307 1048 F CB -0.225 38.775 39.000 -0.001 0.000 1.019 1048 F HN 0.241 nan 8.300 nan 0.000 0.489 1049 A N -0.647 122.149 122.820 -0.040 0.000 1.898 1049 A HA -0.151 4.170 4.320 0.002 0.000 0.216 1049 A C 2.248 179.553 177.584 -0.465 0.000 1.181 1049 A CA 2.144 53.913 52.037 -0.447 0.000 0.620 1049 A CB -1.264 17.104 19.000 -1.053 0.000 0.819 1049 A HN 0.306 nan 8.150 nan 0.000 0.442 1050 T N 0.280 114.708 114.554 -0.209 0.000 2.684 1050 T HA -0.074 4.277 4.350 0.002 0.000 0.267 1050 T C 2.226 176.837 174.700 -0.149 0.000 1.036 1050 T CA 1.711 63.777 62.100 -0.057 0.000 1.148 1050 T CB -0.474 68.367 68.868 -0.046 0.000 0.863 1050 T HN 0.604 nan 8.240 nan 0.000 0.436 1051 A N 1.474 124.188 122.820 -0.178 0.000 1.883 1051 A HA -0.135 4.186 4.320 0.002 0.000 0.217 1051 A C 2.360 179.906 177.584 -0.064 0.000 1.186 1051 A CA 1.796 53.737 52.037 -0.159 0.000 0.624 1051 A CB -0.698 18.221 19.000 -0.135 0.000 0.822 1051 A HN 0.473 nan 8.150 nan 0.000 0.444 1052 M N -0.731 118.856 119.600 -0.022 0.000 2.086 1052 M HA -0.154 4.327 4.480 0.002 0.000 0.261 1052 M C 2.514 178.809 176.300 -0.009 0.000 1.067 1052 M CA 1.476 56.787 55.300 0.018 0.000 1.116 1052 M CB -0.550 32.096 32.600 0.077 0.000 1.348 1052 M HN 0.483 nan 8.290 nan 0.000 0.407 1053 A N 0.390 123.195 122.820 -0.025 0.000 2.076 1053 A HA -0.106 4.215 4.320 0.002 0.000 0.220 1053 A C 2.054 179.620 177.584 -0.029 0.000 1.160 1053 A CA 1.139 53.174 52.037 -0.004 0.000 0.653 1053 A CB -0.948 18.122 19.000 0.118 0.000 0.801 1053 A HN 0.483 nan 8.150 nan 0.000 0.455 1054 L N -0.878 120.324 121.223 -0.035 0.000 2.362 1054 L HA -0.160 4.181 4.340 0.002 0.000 0.219 1054 L C 1.563 178.431 176.870 -0.004 0.000 1.134 1054 L CA 1.169 55.997 54.840 -0.021 0.000 0.807 1054 L CB -0.477 41.578 42.059 -0.006 0.000 0.927 1054 L HN 0.498 nan 8.230 nan 0.000 0.447 1055 N N -0.558 118.141 118.700 -0.003 0.000 2.398 1055 N HA 0.156 4.897 4.740 0.002 0.000 0.188 1055 N C 0.248 175.755 175.510 -0.005 0.000 1.122 1055 N CA -0.073 52.980 53.050 0.006 0.000 0.866 1055 N CB 0.397 38.895 38.487 0.017 0.000 0.970 1055 N HN 0.224 nan 8.380 nan 0.000 0.462 1056 A N 0.119 122.927 122.820 -0.021 0.000 2.387 1056 A HA 0.495 4.816 4.320 0.002 0.000 0.303 1056 A C -1.468 176.086 177.584 -0.050 0.000 1.145 1056 A CA -0.564 51.454 52.037 -0.032 0.000 0.801 1056 A CB 1.383 20.359 19.000 -0.041 0.000 1.342 1056 A HN 0.023 nan 8.150 nan 0.000 0.440 1057 D N 0.212 120.578 120.400 -0.057 0.000 2.440 1057 D HA 0.533 5.174 4.640 0.002 0.000 0.252 1057 D C 0.784 177.025 176.300 -0.097 0.000 1.180 1057 D CA 0.217 54.170 54.000 -0.078 0.000 0.894 1057 D CB 1.393 42.154 40.800 -0.065 0.000 1.111 1057 D HN 0.525 nan 8.370 nan 0.000 0.544 1058 A N 2.621 125.364 122.820 -0.128 0.000 2.131 1058 A HA -0.124 4.197 4.320 0.002 0.000 0.220 1058 A C 1.848 179.343 177.584 -0.148 0.000 1.158 1058 A CA 1.982 53.934 52.037 -0.142 0.000 0.665 1058 A CB -0.478 18.416 19.000 -0.176 0.000 0.795 1058 A HN 0.586 nan 8.150 nan 0.000 0.460 1059 T N -3.222 111.233 114.554 -0.165 0.000 3.060 1059 T HA 0.094 4.445 4.350 0.002 0.000 0.249 1059 T C 1.448 176.076 174.700 -0.119 0.000 1.079 1059 T CA 0.855 62.854 62.100 -0.169 0.000 1.013 1059 T CB -0.036 68.694 68.868 -0.229 0.000 0.975 1059 T HN 0.573 nan 8.240 nan 0.000 0.518 1060 E N 1.310 121.455 120.200 -0.092 0.000 2.038 1060 E HA -0.092 4.259 4.350 0.002 0.000 0.195 1060 E C 0.717 177.288 176.600 -0.049 0.000 1.000 1060 E CA 0.838 57.201 56.400 -0.062 0.000 0.803 1060 E CB 0.165 29.838 29.700 -0.044 0.000 0.750 1060 E HN 0.470 nan 8.360 nan 0.000 0.448 1061 K N -0.036 120.337 120.400 -0.045 0.000 2.498 1061 K HA 0.292 4.613 4.320 0.002 0.000 0.254 1061 K C -1.329 175.258 176.600 -0.020 0.000 0.933 1061 K CA -0.612 55.659 56.287 -0.027 0.000 0.806 1061 K CB 2.249 34.743 32.500 -0.011 0.000 1.301 1061 K HN 0.032 nan 8.250 nan 0.000 0.432 1062 V N 1.621 121.539 119.914 0.006 0.000 2.769 1062 V HA 0.742 4.863 4.120 0.002 0.000 0.312 1062 V C -0.580 175.591 176.094 0.128 0.000 1.061 1062 V CA -0.891 61.451 62.300 0.070 0.000 0.931 1062 V CB 1.627 33.482 31.823 0.053 0.000 1.010 1062 V HN 0.850 nan 8.190 nan 0.000 0.433 1063 I N 3.173 123.805 120.570 0.103 0.000 2.769 1063 I HA 0.704 4.875 4.170 0.002 0.000 0.298 1063 I C 0.220 176.128 176.117 -0.349 0.000 1.128 1063 I CA -0.286 60.983 61.300 -0.050 0.000 1.031 1063 I CB 2.532 40.459 38.000 -0.121 0.000 1.235 1063 I HN 1.104 nan 8.210 nan 0.000 0.423 1064 S N 4.660 120.012 115.700 -0.580 0.000 2.652 1064 S HA 0.295 4.766 4.470 0.002 0.000 0.270 1064 S C 0.860 175.139 174.600 -0.535 0.000 1.243 1064 S CA -0.616 57.045 58.200 -0.899 0.000 0.999 1064 S CB 1.816 64.511 63.200 -0.840 0.000 0.973 1064 S HN 0.494 nan 8.310 nan 0.000 0.544 1065 V N 2.128 121.736 119.914 -0.510 0.000 2.515 1065 V HA -0.137 3.984 4.120 0.002 0.000 0.250 1065 V C 2.625 178.385 176.094 -0.557 0.000 1.058 1065 V CA 1.909 63.893 62.300 -0.526 0.000 1.064 1065 V CB -1.273 30.264 31.823 -0.476 0.000 0.675 1065 V HN 0.836 nan 8.190 nan 0.000 0.461 1066 Q N 0.076 119.659 119.800 -0.361 0.000 2.079 1066 Q HA -0.178 4.163 4.340 0.002 0.000 0.200 1066 Q C 2.226 178.142 176.000 -0.140 0.000 0.974 1066 Q CA 1.701 57.380 55.803 -0.207 0.000 0.840 1066 Q CB -0.241 28.413 28.738 -0.140 0.000 0.898 1066 Q HN 0.673 nan 8.270 nan 0.000 0.430 1067 E N -0.231 119.864 120.200 -0.175 0.000 2.106 1067 E HA -0.134 4.217 4.350 0.002 0.000 0.192 1067 E C 1.916 178.475 176.600 -0.070 0.000 0.984 1067 E CA 0.890 57.227 56.400 -0.105 0.000 0.806 1067 E CB -0.053 29.573 29.700 -0.124 0.000 0.750 1067 E HN 0.341 nan 8.360 nan 0.000 0.458 1068 M N -0.144 119.362 119.600 -0.157 0.000 2.065 1068 M HA -0.208 4.273 4.480 0.002 0.000 0.259 1068 M C 2.041 178.473 176.300 0.220 0.000 1.071 1068 M CA 1.754 56.998 55.300 -0.093 0.000 1.109 1068 M CB -0.469 31.931 32.600 -0.333 0.000 1.313 1068 M HN 0.261 nan 8.290 nan 0.000 0.408 1069 H N -0.885 118.202 119.070 0.028 0.000 2.422 1069 H HA -0.097 4.460 4.556 0.002 0.000 0.298 1069 H C 2.032 177.384 175.328 0.041 0.000 1.098 1069 H CA 0.735 56.813 56.048 0.050 0.000 1.315 1069 H CB -0.099 29.674 29.762 0.018 0.000 1.382 1069 H HN 0.486 nan 8.280 nan 0.000 0.523 1070 A N 0.973 123.875 122.820 0.137 0.000 2.066 1070 A HA -0.129 4.192 4.320 0.002 0.000 0.218 1070 A C 2.088 179.720 177.584 0.079 0.000 1.157 1070 A CA 0.827 52.913 52.037 0.081 0.000 0.670 1070 A CB -0.106 18.919 19.000 0.042 0.000 0.804 1070 A HN 0.448 nan 8.150 nan 0.000 0.453 1071 Q N -0.248 119.620 119.800 0.113 0.000 2.435 1071 Q HA 0.134 4.475 4.340 0.002 0.000 0.207 1071 Q C -0.005 176.038 176.000 0.073 0.000 0.956 1071 Q CA 0.098 55.962 55.803 0.102 0.000 0.917 1071 Q CB -0.068 28.762 28.738 0.154 0.000 0.997 1071 Q HN 0.604 nan 8.270 nan 0.000 0.497 1072 I N 2.057 122.674 120.570 0.078 0.000 2.588 1072 I HA 0.011 4.182 4.170 0.002 0.000 0.283 1072 I C 0.335 176.449 176.117 -0.004 0.000 1.119 1072 I CA 0.036 61.342 61.300 0.010 0.000 1.419 1072 I CB 0.467 38.464 38.000 -0.006 0.000 1.394 1072 I HN -0.084 nan 8.210 nan 0.000 0.562 1073 K N 0.000 120.384 120.400 -0.027 0.000 2.780 1073 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1073 K CA 0.000 56.273 56.287 -0.023 0.000 0.838 1073 K CB 0.000 32.486 32.500 -0.024 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543