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 1ce8_1_C DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVINVNSN 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 0.000 176.257 176.300 -0.072 0.000 1.140 1 M CA 0.000 55.290 55.300 -0.017 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 P HA 0.112 nan 4.420 nan 0.000 0.321 2 P C -0.969 175.966 177.300 -0.608 0.000 1.338 2 P CA 0.072 63.016 63.100 -0.260 0.000 0.764 2 P CB -0.152 31.477 31.700 -0.118 0.000 1.641 3 K N -0.180 119.771 120.400 -0.748 0.000 2.295 3 K HA 0.254 4.574 4.320 0.001 0.000 0.270 3 K C 0.339 176.838 176.600 -0.168 0.000 1.011 3 K CA -0.436 55.518 56.287 -0.556 0.000 0.953 3 K CB 0.416 32.809 32.500 -0.178 0.000 0.956 3 K HN 0.181 nan 8.250 nan 0.000 0.477 4 R N 0.790 121.265 120.500 -0.042 0.000 2.489 4 R HA -0.033 4.307 4.340 0.001 0.000 0.287 4 R C 0.769 177.110 176.300 0.068 0.000 1.053 4 R CA 0.262 56.372 56.100 0.017 0.000 1.036 4 R CB 0.671 30.997 30.300 0.042 0.000 0.966 4 R HN 0.770 nan 8.270 nan 0.000 0.432 5 T N 0.731 115.300 114.554 0.025 0.000 3.037 5 T HA -0.060 4.291 4.350 0.001 0.000 0.252 5 T C 0.915 175.635 174.700 0.034 0.000 1.073 5 T CA 0.794 62.905 62.100 0.017 0.000 1.091 5 T CB 0.060 68.924 68.868 -0.007 0.000 0.935 5 T HN 0.719 nan 8.240 nan 0.000 0.488 6 D N 0.401 120.826 120.400 0.042 0.000 2.371 6 D HA 0.041 4.682 4.640 0.001 0.000 0.221 6 D C 0.402 176.742 176.300 0.067 0.000 0.986 6 D CA 0.255 54.281 54.000 0.043 0.000 0.899 6 D CB -0.230 40.589 40.800 0.031 0.000 0.902 6 D HN 0.413 nan 8.370 nan 0.000 0.530 7 I N -0.497 120.140 120.570 0.112 0.000 2.465 7 I HA 0.289 4.460 4.170 0.001 0.000 0.291 7 I C 0.810 177.072 176.117 0.242 0.000 1.014 7 I CA -0.714 60.682 61.300 0.160 0.000 1.093 7 I CB 2.377 40.469 38.000 0.154 0.000 1.267 7 I HN -0.360 nan 8.210 nan 0.000 0.431 8 K N 2.003 122.516 120.400 0.188 0.000 2.462 8 K HA 0.208 4.528 4.320 0.001 0.000 0.201 8 K C 0.005 176.729 176.600 0.207 0.000 1.268 8 K CA 0.218 56.595 56.287 0.150 0.000 0.933 8 K CB 0.792 33.331 32.500 0.066 0.000 1.162 8 K HN 0.658 nan 8.250 nan 0.000 0.527 9 S N 0.222 116.023 115.700 0.168 0.000 2.532 9 S HA 0.693 5.164 4.470 0.001 0.000 0.299 9 S C -0.621 174.038 174.600 0.099 0.000 1.105 9 S CA -0.865 57.413 58.200 0.129 0.000 1.018 9 S CB 1.298 64.548 63.200 0.084 0.000 1.021 9 S HN 0.038 nan 8.310 nan 0.000 0.483 10 I N 2.699 123.316 120.570 0.078 0.000 2.545 10 I HA 0.476 4.646 4.170 0.001 0.000 0.292 10 I C -1.145 174.991 176.117 0.031 0.000 1.040 10 I CA -0.874 60.446 61.300 0.032 0.000 1.068 10 I CB 2.117 40.104 38.000 -0.021 0.000 1.251 10 I HN 0.665 nan 8.210 nan 0.000 0.424 11 L N 7.461 128.697 121.223 0.021 0.000 2.272 11 L HA 0.608 4.948 4.340 0.001 0.000 0.289 11 L C -0.882 175.996 176.870 0.013 0.000 1.032 11 L CA 0.063 54.917 54.840 0.022 0.000 0.810 11 L CB 0.600 42.667 42.059 0.012 0.000 1.205 11 L HN 0.394 nan 8.230 nan 0.000 0.422 12 I N 6.222 126.803 120.570 0.019 0.000 2.339 12 I HA 0.267 4.438 4.170 0.001 0.000 0.290 12 I C -0.430 175.694 176.117 0.012 0.000 0.994 12 I CA -0.584 60.723 61.300 0.011 0.000 1.191 12 I CB 1.275 39.282 38.000 0.011 0.000 1.343 12 I HN 0.450 nan 8.210 nan 0.000 0.458 13 L N 6.425 127.648 121.223 0.000 0.000 2.342 13 L HA 0.335 4.676 4.340 0.001 0.000 0.285 13 L C 1.073 177.934 176.870 -0.016 0.000 1.095 13 L CA -0.227 54.608 54.840 -0.007 0.000 0.843 13 L CB 0.406 42.454 42.059 -0.018 0.000 1.201 13 L HN 0.724 nan 8.230 nan 0.000 0.445 14 G N 1.859 110.658 108.800 -0.002 0.000 2.634 14 G HA2 0.327 4.287 3.960 0.001 0.000 0.255 14 G HA3 0.327 4.287 3.960 0.001 0.000 0.255 14 G C 0.827 175.709 174.900 -0.030 0.000 1.205 14 G CA 0.177 45.279 45.100 0.004 0.000 0.884 14 G HN 0.774 nan 8.290 nan 0.000 0.549 15 A N -0.703 122.106 122.820 -0.019 0.000 2.072 15 A HA 0.543 4.864 4.320 0.001 0.000 0.216 15 A C 1.641 179.213 177.584 -0.019 0.000 1.156 15 A CA 1.605 53.602 52.037 -0.066 0.000 0.701 15 A CB -0.844 18.137 19.000 -0.033 0.000 0.816 15 A HN 2.560 nan 8.150 nan 0.000 0.458 16 G N -0.919 107.888 108.800 0.011 0.000 2.627 16 G HA2 -0.071 3.890 3.960 0.001 0.000 0.214 16 G HA3 -0.071 3.890 3.960 0.001 0.000 0.214 16 G C -2.989 171.923 174.900 0.020 0.000 1.331 16 G CA -0.414 44.691 45.100 0.008 0.000 0.891 16 G HN 0.401 nan 8.290 nan 0.000 0.539 17 P HA 0.395 nan 4.420 nan 0.000 0.269 17 P C 0.368 177.678 177.300 0.016 0.000 1.215 17 P CA -0.271 62.829 63.100 0.000 0.000 0.780 17 P CB 0.328 32.015 31.700 -0.021 0.000 0.898 18 I N 2.082 122.660 120.570 0.015 0.000 2.533 18 I HA 0.093 4.263 4.170 0.001 0.000 0.284 18 I C 0.895 177.013 176.117 0.002 0.000 1.109 18 I CA -0.066 61.249 61.300 0.024 0.000 1.412 18 I CB -0.204 37.805 38.000 0.016 0.000 1.396 18 I HN 0.192 nan 8.210 nan 0.000 0.543 19 V N 4.718 124.636 119.914 0.007 0.000 3.141 19 V HA 0.568 4.689 4.120 0.001 0.000 0.312 19 V C 0.019 176.093 176.094 -0.033 0.000 1.157 19 V CA -1.223 61.063 62.300 -0.023 0.000 1.041 19 V CB 2.106 33.910 31.823 -0.032 0.000 1.071 19 V HN 0.449 nan 8.190 nan 0.000 0.441 20 I N 2.292 122.819 120.570 -0.072 0.000 2.668 20 I HA 0.415 4.586 4.170 0.001 0.000 0.285 20 I C 1.539 177.602 176.117 -0.090 0.000 1.168 20 I CA 1.905 63.149 61.300 -0.093 0.000 1.424 20 I CB 0.543 38.455 38.000 -0.148 0.000 1.377 20 I HN 1.245 nan 8.210 nan 0.000 0.560 21 G N 4.787 113.542 108.800 -0.074 0.000 2.241 21 G HA2 -0.287 3.673 3.960 0.001 0.000 0.244 21 G HA3 -0.287 3.673 3.960 0.001 0.000 0.244 21 G C 0.331 175.259 174.900 0.047 0.000 0.998 21 G CA 0.036 45.101 45.100 -0.058 0.000 0.621 21 G HN 0.604 nan 8.290 nan 0.000 0.519 22 Q N 0.198 120.045 119.800 0.078 0.000 3.255 22 Q HA 0.675 5.016 4.340 0.001 0.000 0.231 22 Q C 0.179 176.298 176.000 0.197 0.000 0.935 22 Q CA 0.402 56.343 55.803 0.229 0.000 0.714 22 Q CB 0.715 29.553 28.738 0.166 0.000 1.345 22 Q HN 0.832 nan 8.270 nan 0.000 0.463 23 A N 0.110 123.004 122.820 0.124 0.000 3.791 23 A HA 0.369 4.689 4.320 0.001 0.000 0.159 23 A C 1.208 178.809 177.584 0.028 0.000 1.359 23 A CA -0.106 51.965 52.037 0.056 0.000 0.899 23 A CB -0.396 18.599 19.000 -0.008 0.000 1.642 23 A HN 0.804 nan 8.150 nan 0.000 0.612 24 C N 1.148 120.444 119.300 -0.007 0.000 2.398 24 C HA -0.149 4.312 4.460 0.001 0.000 0.279 24 C C 2.503 177.471 174.990 -0.038 0.000 1.250 24 C CA 1.195 60.216 59.018 0.004 0.000 1.786 24 C CB -1.554 26.189 27.740 0.006 0.000 2.018 24 C HN 0.862 nan 8.230 nan 0.000 0.494 25 E N 1.578 121.657 120.200 -0.201 0.000 2.233 25 E HA -0.251 4.099 4.350 0.001 0.000 0.199 25 E C 1.441 177.857 176.600 -0.308 0.000 1.004 25 E CA 1.715 57.937 56.400 -0.297 0.000 0.819 25 E CB -0.742 28.657 29.700 -0.502 0.000 0.738 25 E HN 0.662 nan 8.360 nan 0.000 0.478 26 F N 1.400 121.416 119.950 0.109 0.000 2.615 26 F HA 0.071 4.599 4.527 0.001 0.000 0.297 26 F C 2.078 177.919 175.800 0.070 0.000 1.124 26 F CA 0.812 58.857 58.000 0.076 0.000 1.451 26 F CB -0.290 38.737 39.000 0.045 0.000 1.103 26 F HN 0.031 nan 8.300 nan 0.000 0.569 27 D N -0.940 119.581 120.400 0.201 0.000 2.213 27 D HA -0.197 4.443 4.640 0.001 0.000 0.205 27 D C 2.124 178.514 176.300 0.149 0.000 0.961 27 D CA 0.825 54.919 54.000 0.158 0.000 0.853 27 D CB -0.248 40.637 40.800 0.141 0.000 0.967 27 D HN 0.285 nan 8.370 nan 0.000 0.496 28 Y N 1.201 121.515 120.300 0.023 0.000 2.163 28 Y HA -0.152 4.399 4.550 0.001 0.000 0.288 28 Y C 2.443 178.353 175.900 0.017 0.000 1.136 28 Y CA 2.500 60.600 58.100 0.000 0.000 1.147 28 Y CB -0.847 37.595 38.460 -0.030 0.000 0.987 28 Y HN 0.047 nan 8.280 nan 0.000 0.509 29 S N -0.397 115.210 115.700 -0.155 0.000 2.368 29 S HA -0.066 4.405 4.470 0.001 0.000 0.224 29 S C 2.314 176.858 174.600 -0.093 0.000 1.029 29 S CA 1.026 59.098 58.200 -0.214 0.000 0.988 29 S CB -1.457 61.772 63.200 0.048 0.000 0.838 29 S HN 0.567 nan 8.310 nan 0.000 0.462 30 G N 1.338 110.151 108.800 0.022 0.000 2.402 30 G HA2 0.142 4.103 3.960 0.001 0.000 0.216 30 G HA3 0.142 4.103 3.960 0.001 0.000 0.216 30 G C 1.691 176.587 174.900 -0.007 0.000 1.162 30 G CA 0.732 45.849 45.100 0.029 0.000 0.777 30 G HN 0.783 nan 8.290 nan 0.000 0.539 31 A N 0.356 123.168 122.820 -0.013 0.000 1.902 31 A HA -0.071 4.249 4.320 0.001 0.000 0.217 31 A C 2.316 179.859 177.584 -0.068 0.000 1.181 31 A CA 1.877 53.903 52.037 -0.019 0.000 0.623 31 A CB -0.414 18.587 19.000 0.002 0.000 0.818 31 A HN 0.438 nan 8.150 nan 0.000 0.443 32 Q N -0.715 118.995 119.800 -0.151 0.000 2.020 32 Q HA -0.152 4.188 4.340 0.001 0.000 0.202 32 Q C 2.515 178.454 176.000 -0.101 0.000 0.982 32 Q CA 1.461 57.156 55.803 -0.180 0.000 0.838 32 Q CB -0.419 28.122 28.738 -0.329 0.000 0.899 32 Q HN 0.675 nan 8.270 nan 0.000 0.423 33 A N 0.448 123.219 122.820 -0.080 0.000 1.917 33 A HA -0.243 4.077 4.320 0.001 0.000 0.219 33 A C 2.385 179.954 177.584 -0.024 0.000 1.182 33 A CA 1.625 53.637 52.037 -0.042 0.000 0.633 33 A CB -1.100 17.884 19.000 -0.025 0.000 0.819 33 A HN 0.516 nan 8.150 nan 0.000 0.448 34 C N -0.930 118.360 119.300 -0.017 0.000 2.436 34 C HA -0.071 4.390 4.460 0.001 0.000 0.277 34 C C 2.733 177.726 174.990 0.006 0.000 1.241 34 C CA 1.385 60.403 59.018 0.001 0.000 1.721 34 C CB -1.008 26.735 27.740 0.005 0.000 2.043 34 C HN 0.783 nan 8.230 nan 0.000 0.472 35 K N 1.305 121.700 120.400 -0.009 0.000 2.044 35 K HA -0.181 4.139 4.320 0.001 0.000 0.210 35 K C 1.980 178.582 176.600 0.004 0.000 1.049 35 K CA 1.955 58.237 56.287 -0.008 0.000 0.927 35 K CB -0.343 32.139 32.500 -0.030 0.000 0.713 35 K HN 0.403 nan 8.250 nan 0.000 0.443 36 A N 0.634 123.450 122.820 -0.007 0.000 2.015 36 A HA -0.016 4.305 4.320 0.001 0.000 0.219 36 A C 2.002 179.613 177.584 0.045 0.000 1.163 36 A CA 1.072 53.110 52.037 0.002 0.000 0.646 36 A CB -0.350 18.639 19.000 -0.019 0.000 0.806 36 A HN 0.341 nan 8.150 nan 0.000 0.448 37 L N -1.613 119.638 121.223 0.047 0.000 2.249 37 L HA 0.055 4.395 4.340 0.001 0.000 0.207 37 L C 2.621 179.611 176.870 0.201 0.000 1.090 37 L CA 0.966 55.862 54.840 0.094 0.000 0.802 37 L CB -0.358 41.699 42.059 -0.002 0.000 0.947 37 L HN 0.401 nan 8.230 nan 0.000 0.453 38 R N 0.739 121.309 120.500 0.116 0.000 2.073 38 R HA -0.166 4.174 4.340 0.001 0.000 0.229 38 R C 2.135 178.489 176.300 0.090 0.000 1.120 38 R CA 1.376 57.534 56.100 0.098 0.000 0.967 38 R CB -0.021 30.310 30.300 0.053 0.000 0.862 38 R HN 0.302 nan 8.270 nan 0.000 0.436 39 E N 0.246 120.491 120.200 0.075 0.000 2.070 39 E HA -0.192 4.159 4.350 0.001 0.000 0.197 39 E C 0.957 177.607 176.600 0.083 0.000 1.004 39 E CA 1.292 57.725 56.400 0.056 0.000 0.805 39 E CB 0.155 29.876 29.700 0.034 0.000 0.744 39 E HN 0.257 nan 8.360 nan 0.000 0.451 40 E N -0.700 119.597 120.200 0.161 0.000 2.485 40 E HA 0.018 4.369 4.350 0.001 0.000 0.194 40 E C 0.774 177.453 176.600 0.132 0.000 1.098 40 E CA 0.680 57.225 56.400 0.242 0.000 0.878 40 E CB 0.190 30.194 29.700 0.506 0.000 0.939 40 E HN 0.459 nan 8.360 nan 0.000 0.503 41 G N 0.874 109.715 108.800 0.070 0.000 2.176 41 G HA2 -0.316 3.645 3.960 0.001 0.000 0.252 41 G HA3 -0.316 3.645 3.960 0.001 0.000 0.252 41 G C -0.188 174.618 174.900 -0.156 0.000 1.024 41 G CA 0.305 45.369 45.100 -0.059 0.000 0.755 41 G HN 0.249 nan 8.290 nan 0.000 0.507 42 Y N -0.850 119.473 120.300 0.038 0.000 2.403 42 Y HA 0.613 5.164 4.550 0.001 0.000 0.323 42 Y C 1.130 177.044 175.900 0.025 0.000 1.226 42 Y CA -1.011 57.109 58.100 0.033 0.000 1.235 42 Y CB 0.844 39.328 38.460 0.040 0.000 1.248 42 Y HN 0.111 nan 8.280 nan 0.000 0.489 43 R N 1.445 122.060 120.500 0.193 0.000 2.216 43 R HA 0.435 4.775 4.340 0.001 0.000 0.332 43 R C -1.645 174.721 176.300 0.109 0.000 1.056 43 R CA -0.306 55.860 56.100 0.111 0.000 0.901 43 R CB 0.195 30.543 30.300 0.079 0.000 1.039 43 R HN 0.504 nan 8.270 nan 0.000 0.456 44 V N 7.338 127.299 119.914 0.079 0.000 2.364 44 V HA 0.343 4.463 4.120 0.001 0.000 0.272 44 V C 0.118 176.237 176.094 0.042 0.000 1.036 44 V CA -0.501 61.834 62.300 0.060 0.000 0.880 44 V CB 1.177 33.031 31.823 0.051 0.000 0.991 44 V HN 0.629 nan 8.190 nan 0.000 0.460 45 I N 6.277 126.877 120.570 0.050 0.000 2.465 45 I HA 0.580 4.751 4.170 0.001 0.000 0.291 45 I C -0.273 175.885 176.117 0.068 0.000 1.014 45 I CA -0.378 60.963 61.300 0.067 0.000 1.093 45 I CB 1.874 39.928 38.000 0.091 0.000 1.267 45 I HN 0.769 nan 8.210 nan 0.000 0.431 46 N N 5.340 124.090 118.700 0.084 0.000 2.396 46 N HA 0.540 5.280 4.740 0.001 0.000 0.275 46 N C -1.978 173.603 175.510 0.119 0.000 1.218 46 N CA -0.610 52.486 53.050 0.076 0.000 0.812 46 N CB 2.851 41.364 38.487 0.044 0.000 1.592 46 N HN 0.403 nan 8.380 nan 0.000 0.480 47 V N 1.224 121.189 119.914 0.086 0.000 2.555 47 V HA 0.639 4.759 4.120 0.001 0.000 0.302 47 V C -1.242 174.884 176.094 0.053 0.000 1.038 47 V CA -0.443 61.912 62.300 0.091 0.000 0.887 47 V CB 1.363 33.214 31.823 0.047 0.000 0.991 47 V HN 0.950 nan 8.190 nan 0.000 0.434 48 N N 3.015 121.747 118.700 0.053 0.000 2.839 48 N HA 0.156 4.897 4.740 0.001 0.000 0.258 48 N C 0.440 175.968 175.510 0.029 0.000 1.150 48 N CA 0.303 53.374 53.050 0.035 0.000 0.957 48 N CB 2.078 40.589 38.487 0.041 0.000 1.560 48 N HN 0.678 nan 8.380 nan 0.000 0.588 49 S N 1.750 117.460 115.700 0.017 0.000 2.447 49 S HA -0.061 4.410 4.470 0.001 0.000 0.233 49 S C 0.796 175.400 174.600 0.007 0.000 1.006 49 S CA 0.358 58.563 58.200 0.007 0.000 0.957 49 S CB -0.211 62.984 63.200 -0.008 0.000 0.773 49 S HN 0.568 nan 8.310 nan 0.000 0.507 50 N N 3.453 122.159 118.700 0.010 0.000 2.405 50 N HA 0.231 4.972 4.740 0.001 0.000 0.260 50 N C -1.768 173.744 175.510 0.004 0.000 1.152 50 N CA -2.254 50.799 53.050 0.004 0.000 0.948 50 N CB 1.347 39.843 38.487 0.015 0.000 1.111 50 N HN 0.082 nan 8.380 nan 0.000 0.485 51 P HA 0.040 nan 4.420 nan 0.000 0.231 51 P C 0.141 177.359 177.300 -0.137 0.000 1.168 51 P CA 0.447 63.533 63.100 -0.023 0.000 0.779 51 P CB 0.183 31.910 31.700 0.045 0.000 0.844 52 A N 0.431 123.144 122.820 -0.180 0.000 2.416 52 A HA 0.260 4.581 4.320 0.001 0.000 0.252 52 A C 0.610 178.137 177.584 -0.095 0.000 1.353 52 A CA 0.144 51.959 52.037 -0.369 0.000 0.996 52 A CB -1.444 17.390 19.000 -0.277 0.000 0.961 52 A HN 0.291 nan 8.150 nan 0.000 0.523 53 T N -3.422 111.161 114.554 0.049 0.000 2.856 53 T HA 0.536 4.887 4.350 0.001 0.000 0.283 53 T C 0.799 175.687 174.700 0.313 0.000 1.008 53 T CA -0.709 61.502 62.100 0.185 0.000 0.997 53 T CB 1.024 69.958 68.868 0.111 0.000 0.992 53 T HN -0.071 nan 8.240 nan 0.000 0.454 54 I N 2.430 123.157 120.570 0.262 0.000 2.439 54 I HA -0.088 4.083 4.170 0.001 0.000 0.251 54 I C 2.485 178.681 176.117 0.131 0.000 1.139 54 I CA 1.258 62.665 61.300 0.178 0.000 1.438 54 I CB -1.054 36.997 38.000 0.085 0.000 1.085 54 I HN 0.887 nan 8.210 nan 0.000 0.427 55 M N 0.425 120.090 119.600 0.109 0.000 2.358 55 M HA -0.143 4.337 4.480 0.001 0.000 0.264 55 M C 1.634 177.971 176.300 0.062 0.000 1.064 55 M CA 2.125 57.468 55.300 0.071 0.000 1.093 55 M CB -0.856 31.782 32.600 0.064 0.000 1.401 55 M HN 0.268 nan 8.290 nan 0.000 0.440 56 T N -2.522 112.082 114.554 0.083 0.000 3.144 56 T HA 0.151 4.501 4.350 0.001 0.000 0.249 56 T C -0.051 174.680 174.700 0.052 0.000 1.089 56 T CA -0.442 61.688 62.100 0.050 0.000 0.989 56 T CB -0.558 68.335 68.868 0.042 0.000 0.992 56 T HN 0.262 nan 8.240 nan 0.000 0.540 57 D N 3.502 123.958 120.400 0.093 0.000 2.424 57 D HA 0.182 4.823 4.640 0.001 0.000 0.244 57 D C -1.254 175.055 176.300 0.015 0.000 1.134 57 D CA -2.068 51.990 54.000 0.095 0.000 0.881 57 D CB 1.589 42.464 40.800 0.125 0.000 1.191 57 D HN 0.087 nan 8.370 nan 0.000 0.445 58 P HA -0.186 nan 4.420 nan 0.000 0.215 58 P C 1.102 178.381 177.300 -0.036 0.000 1.157 58 P CA 1.289 64.346 63.100 -0.071 0.000 0.868 58 P CB 0.074 31.716 31.700 -0.096 0.000 0.788 59 E N -0.444 119.750 120.200 -0.009 0.000 2.338 59 E HA -0.119 4.231 4.350 0.001 0.000 0.197 59 E C 1.496 178.092 176.600 -0.006 0.000 1.007 59 E CA 0.994 57.390 56.400 -0.007 0.000 0.849 59 E CB -0.684 29.013 29.700 -0.006 0.000 0.774 59 E HN 0.193 nan 8.360 nan 0.000 0.506 60 M N 0.664 120.262 119.600 -0.003 0.000 2.506 60 M HA 0.260 4.740 4.480 0.001 0.000 0.260 60 M C 0.994 177.295 176.300 0.002 0.000 1.104 60 M CA 0.493 55.794 55.300 0.002 0.000 1.112 60 M CB -0.066 32.541 32.600 0.012 0.000 1.401 60 M HN 0.175 nan 8.290 nan 0.000 0.473 61 A N -0.374 122.441 122.820 -0.008 0.000 2.602 61 A HA 0.476 4.797 4.320 0.001 0.000 0.290 61 A C -0.054 177.517 177.584 -0.022 0.000 1.114 61 A CA -0.692 51.340 52.037 -0.007 0.000 0.683 61 A CB 0.857 19.853 19.000 -0.007 0.000 1.281 61 A HN 0.154 nan 8.150 nan 0.000 0.416 62 D N 0.234 120.626 120.400 -0.013 0.000 2.120 62 D HA 0.198 4.838 4.640 0.001 0.000 0.202 62 D C 0.829 177.092 176.300 -0.061 0.000 0.972 62 D CA 1.868 55.854 54.000 -0.023 0.000 0.837 62 D CB 0.158 40.959 40.800 0.003 0.000 0.989 62 D HN 0.700 nan 8.370 nan 0.000 0.469 63 A N 1.027 123.806 122.820 -0.068 0.000 2.409 63 A HA 0.475 4.795 4.320 0.001 0.000 0.300 63 A C -0.575 176.879 177.584 -0.216 0.000 1.273 63 A CA -0.481 51.460 52.037 -0.159 0.000 0.774 63 A CB 1.017 19.976 19.000 -0.068 0.000 1.144 63 A HN -0.139 nan 8.150 nan 0.000 0.472 64 T N 2.818 117.174 114.554 -0.330 0.000 2.756 64 T HA 0.446 4.797 4.350 0.001 0.000 0.290 64 T C -1.154 173.306 174.700 -0.400 0.000 0.985 64 T CA 0.256 62.203 62.100 -0.255 0.000 0.955 64 T CB -0.037 68.725 68.868 -0.177 0.000 0.930 64 T HN 0.393 nan 8.240 nan 0.000 0.451 65 Y N 2.839 123.106 120.300 -0.055 0.000 2.417 65 Y HA 0.444 4.994 4.550 0.001 0.000 0.336 65 Y C 0.448 176.316 175.900 -0.054 0.000 0.961 65 Y CA -1.174 56.889 58.100 -0.062 0.000 1.215 65 Y CB 0.540 38.967 38.460 -0.056 0.000 1.120 65 Y HN 0.577 nan 8.280 nan 0.000 0.499 66 I N 5.046 125.658 120.570 0.069 0.000 2.257 66 I HA 0.181 4.351 4.170 0.001 0.000 0.290 66 I C -0.253 175.890 176.117 0.044 0.000 1.137 66 I CA 0.130 61.452 61.300 0.036 0.000 1.255 66 I CB -0.228 37.771 38.000 -0.002 0.000 1.485 66 I HN 0.512 nan 8.210 nan 0.000 0.534 67 E N 5.652 125.882 120.200 0.051 0.000 2.416 67 E HA 0.462 4.812 4.350 0.001 0.000 0.273 67 E C -2.602 173.994 176.600 -0.007 0.000 0.935 67 E CA -2.141 54.267 56.400 0.014 0.000 0.784 67 E CB 1.729 31.432 29.700 0.005 0.000 1.301 67 E HN -0.017 nan 8.360 nan 0.000 0.454 68 P HA 0.111 nan 4.420 nan 0.000 0.263 68 P C 0.185 177.487 177.300 0.003 0.000 1.195 68 P CA 0.358 63.445 63.100 -0.021 0.000 0.762 68 P CB 0.107 31.785 31.700 -0.037 0.000 0.799 69 I N 3.612 124.186 120.570 0.008 0.000 2.426 69 I HA -0.003 4.167 4.170 0.001 0.000 0.282 69 I C 1.157 177.284 176.117 0.017 0.000 1.064 69 I CA 0.296 61.600 61.300 0.006 0.000 2.047 69 I CB -1.036 36.960 38.000 -0.007 0.000 1.497 69 I HN 0.373 nan 8.210 nan 0.000 0.899 70 H N 4.780 123.815 119.070 -0.059 0.000 2.459 70 H HA 0.031 4.587 4.556 0.001 0.000 0.332 70 H C 0.681 175.955 175.328 -0.089 0.000 1.094 70 H CA -0.798 55.202 56.048 -0.080 0.000 1.224 70 H CB 1.245 30.911 29.762 -0.160 0.000 1.449 70 H HN 0.574 nan 8.280 nan 0.000 0.484 71 W N 5.398 126.520 121.300 -0.297 0.000 2.331 71 W HA -0.145 4.516 4.660 0.001 0.000 0.291 71 W C 0.355 176.932 176.519 0.098 0.000 1.214 71 W CA 1.005 58.300 57.345 -0.084 0.000 1.228 71 W CB -0.264 29.113 29.460 -0.139 0.000 1.135 71 W HN 0.636 nan 8.180 nan 0.000 0.537 72 E N 0.852 120.677 120.200 -0.624 0.000 2.107 72 E HA -0.138 4.212 4.350 0.001 0.000 0.191 72 E C 2.417 178.834 176.600 -0.305 0.000 0.982 72 E CA 1.521 57.476 56.400 -0.741 0.000 0.809 72 E CB -0.261 28.947 29.700 -0.820 0.000 0.756 72 E HN 0.140 nan 8.360 nan 0.000 0.459 73 V N 1.013 120.818 119.914 -0.182 0.000 2.548 73 V HA -0.173 3.948 4.120 0.001 0.000 0.249 73 V C 2.260 178.259 176.094 -0.159 0.000 1.055 73 V CA 1.034 63.235 62.300 -0.165 0.000 1.065 73 V CB -0.084 31.667 31.823 -0.119 0.000 0.681 73 V HN 0.116 nan 8.190 nan 0.000 0.462 74 V N 0.425 120.287 119.914 -0.087 0.000 2.515 74 V HA -0.216 3.905 4.120 0.001 0.000 0.250 74 V C 2.541 178.571 176.094 -0.106 0.000 1.058 74 V CA 2.173 64.423 62.300 -0.083 0.000 1.064 74 V CB -0.817 31.006 31.823 0.000 0.000 0.675 74 V HN 0.561 nan 8.190 nan 0.000 0.461 75 R N 0.296 120.766 120.500 -0.051 0.000 2.092 75 R HA -0.159 4.182 4.340 0.001 0.000 0.231 75 R C 2.319 178.493 176.300 -0.210 0.000 1.119 75 R CA 1.264 57.329 56.100 -0.059 0.000 0.970 75 R CB -0.105 30.264 30.300 0.116 0.000 0.864 75 R HN 0.282 nan 8.270 nan 0.000 0.440 76 K N 0.975 121.255 120.400 -0.200 0.000 2.026 76 K HA -0.096 4.225 4.320 0.001 0.000 0.208 76 K C 2.110 178.527 176.600 -0.304 0.000 1.048 76 K CA 1.302 57.455 56.287 -0.223 0.000 0.929 76 K CB -0.451 31.931 32.500 -0.197 0.000 0.713 76 K HN 0.324 nan 8.250 nan 0.000 0.439 77 I N 0.806 121.153 120.570 -0.372 0.000 2.194 77 I HA -0.294 3.877 4.170 0.001 0.000 0.246 77 I C 2.316 178.235 176.117 -0.330 0.000 1.093 77 I CA 1.240 62.249 61.300 -0.484 0.000 1.355 77 I CB -0.256 37.404 38.000 -0.566 0.000 1.046 77 I HN 0.064 nan 8.210 nan 0.000 0.413 78 I N 0.407 120.772 120.570 -0.340 0.000 2.233 78 I HA -0.281 3.890 4.170 0.001 0.000 0.243 78 I C 2.686 178.446 176.117 -0.594 0.000 1.093 78 I CA 1.345 62.413 61.300 -0.387 0.000 1.380 78 I CB -0.386 37.359 38.000 -0.424 0.000 1.067 78 I HN 0.302 nan 8.210 nan 0.000 0.413 79 E N 1.753 121.450 120.200 -0.838 0.000 2.085 79 E HA -0.319 4.031 4.350 0.001 0.000 0.194 79 E C 2.193 178.634 176.600 -0.266 0.000 0.994 79 E CA 1.570 57.483 56.400 -0.812 0.000 0.801 79 E CB -0.056 29.371 29.700 -0.455 0.000 0.743 79 E HN 0.364 nan 8.360 nan 0.000 0.453 80 K N -0.271 120.003 120.400 -0.209 0.000 2.228 80 K HA -0.085 4.235 4.320 0.001 0.000 0.202 80 K C 1.532 178.110 176.600 -0.036 0.000 1.051 80 K CA 1.053 57.289 56.287 -0.085 0.000 0.960 80 K CB 0.290 32.750 32.500 -0.066 0.000 0.743 80 K HN 0.065 nan 8.250 nan 0.000 0.458 81 E N 0.224 120.386 120.200 -0.063 0.000 2.413 81 E HA 0.056 4.407 4.350 0.001 0.000 0.203 81 E C -0.211 176.390 176.600 0.002 0.000 0.957 81 E CA -0.008 56.394 56.400 0.003 0.000 0.950 81 E CB 0.572 30.300 29.700 0.046 0.000 0.957 81 E HN 0.120 nan 8.360 nan 0.000 0.497 82 R N 0.986 121.464 120.500 -0.037 0.000 3.264 82 R HA -0.122 4.218 4.340 0.001 0.000 0.251 82 R C -2.404 173.918 176.300 0.035 0.000 0.971 82 R CA 0.338 56.449 56.100 0.018 0.000 0.658 82 R CB -2.580 27.758 30.300 0.063 0.000 1.095 82 R HN 0.277 nan 8.270 nan 0.000 0.443 83 P HA 0.082 nan 4.420 nan 0.000 0.271 83 P C 0.411 177.743 177.300 0.052 0.000 1.216 83 P CA -0.165 62.957 63.100 0.037 0.000 0.776 83 P CB 0.710 32.424 31.700 0.023 0.000 0.881 84 D N 0.986 121.422 120.400 0.060 0.000 2.144 84 D HA 0.015 4.656 4.640 0.001 0.000 0.200 84 D C 0.850 177.181 176.300 0.051 0.000 0.978 84 D CA 1.368 55.406 54.000 0.062 0.000 0.833 84 D CB 0.256 41.099 40.800 0.071 0.000 0.961 84 D HN 0.520 nan 8.370 nan 0.000 0.470 85 A N -0.232 122.613 122.820 0.041 0.000 2.569 85 A HA 0.575 4.895 4.320 0.001 0.000 0.290 85 A C -1.441 176.152 177.584 0.015 0.000 1.136 85 A CA -0.566 51.486 52.037 0.025 0.000 0.710 85 A CB 2.409 21.416 19.000 0.012 0.000 1.303 85 A HN -0.059 nan 8.150 nan 0.000 0.413 86 V N 1.155 121.075 119.914 0.010 0.000 2.531 86 V HA 0.621 4.741 4.120 0.001 0.000 0.301 86 V C -1.588 174.505 176.094 -0.003 0.000 1.034 86 V CA -0.632 61.671 62.300 0.005 0.000 0.865 86 V CB 1.376 33.205 31.823 0.010 0.000 0.995 86 V HN 0.966 nan 8.190 nan 0.000 0.424 87 L N 10.521 131.739 121.223 -0.008 0.000 2.272 87 L HA 0.703 5.044 4.340 0.001 0.000 0.284 87 L C -2.030 174.835 176.870 -0.008 0.000 1.045 87 L CA -1.431 53.403 54.840 -0.012 0.000 0.842 87 L CB 1.565 43.612 42.059 -0.020 0.000 1.224 87 L HN 0.515 nan 8.230 nan 0.000 0.430 88 P HA 0.136 nan 4.420 nan 0.000 0.272 88 P C 0.354 177.639 177.300 -0.024 0.000 1.408 88 P CA 0.096 63.188 63.100 -0.014 0.000 0.996 88 P CB 0.256 31.952 31.700 -0.006 0.000 1.481 89 T N -4.321 110.225 114.554 -0.013 0.000 3.122 89 T HA 0.255 4.606 4.350 0.001 0.000 0.250 89 T C 1.163 175.865 174.700 0.003 0.000 1.067 89 T CA 0.024 62.119 62.100 -0.008 0.000 0.966 89 T CB -0.372 68.503 68.868 0.012 0.000 1.002 89 T HN -0.087 nan 8.240 nan 0.000 0.542 90 M N 0.975 120.571 119.600 -0.007 0.000 2.412 90 M HA 0.379 4.860 4.480 0.001 0.000 0.315 90 M C 1.130 177.424 176.300 -0.010 0.000 1.092 90 M CA 0.004 55.329 55.300 0.041 0.000 0.974 90 M CB 0.891 33.517 32.600 0.044 0.000 1.437 90 M HN 0.399 nan 8.290 nan 0.000 0.524 91 G N 0.278 108.965 108.800 -0.187 0.000 4.637 91 G HA2 0.496 4.457 3.960 0.001 0.000 0.294 91 G HA3 0.496 4.457 3.960 0.001 0.000 0.294 91 G C 0.764 175.254 174.900 -0.683 0.000 1.215 91 G CA 0.122 45.032 45.100 -0.317 0.000 0.943 91 G HN 0.556 nan 8.290 nan 0.000 0.572 92 G N 0.837 108.842 108.800 -1.326 0.000 2.564 92 G HA2 -0.370 3.590 3.960 0.001 0.000 0.273 92 G HA3 -0.370 3.590 3.960 0.001 0.000 0.273 92 G C 0.946 175.573 174.900 -0.455 0.000 1.242 92 G CA 0.800 45.137 45.100 -1.272 0.000 0.951 92 G HN 0.660 nan 8.290 nan 0.000 0.564 93 Q N -1.179 118.453 119.800 -0.280 0.000 2.269 93 Q HA 0.147 4.488 4.340 0.001 0.000 0.201 93 Q C 2.803 178.749 176.000 -0.091 0.000 0.946 93 Q CA 2.277 58.005 55.803 -0.125 0.000 0.877 93 Q CB -0.393 28.308 28.738 -0.061 0.000 0.963 93 Q HN 0.672 nan 8.270 nan 0.000 0.472 94 T N 0.103 114.583 114.554 -0.123 0.000 2.684 94 T HA -0.203 4.148 4.350 0.001 0.000 0.267 94 T C 1.663 176.319 174.700 -0.074 0.000 1.036 94 T CA 1.496 63.546 62.100 -0.083 0.000 1.148 94 T CB -0.511 68.301 68.868 -0.093 0.000 0.863 94 T HN 0.476 nan 8.240 nan 0.000 0.436 95 A N 0.796 123.547 122.820 -0.115 0.000 1.933 95 A HA 0.052 4.373 4.320 0.001 0.000 0.218 95 A C 2.316 179.871 177.584 -0.047 0.000 1.175 95 A CA 1.062 53.049 52.037 -0.084 0.000 0.628 95 A CB -0.690 18.241 19.000 -0.114 0.000 0.814 95 A HN 0.470 nan 8.150 nan 0.000 0.444 96 L N -0.595 120.601 121.223 -0.044 0.000 2.044 96 L HA -0.168 4.172 4.340 0.001 0.000 0.205 96 L C 2.348 179.260 176.870 0.070 0.000 1.075 96 L CA 1.267 56.117 54.840 0.016 0.000 0.747 96 L CB -0.685 41.382 42.059 0.015 0.000 0.903 96 L HN 0.354 nan 8.230 nan 0.000 0.435 97 N N -0.376 118.360 118.700 0.060 0.000 2.069 97 N HA -0.214 4.527 4.740 0.001 0.000 0.191 97 N C 1.888 177.385 175.510 -0.021 0.000 1.031 97 N CA 1.526 54.600 53.050 0.041 0.000 0.852 97 N CB -0.890 37.610 38.487 0.022 0.000 1.018 97 N HN 0.328 nan 8.380 nan 0.000 0.423 98 C N 0.935 120.224 119.300 -0.018 0.000 2.413 98 C HA -0.014 4.446 4.460 0.001 0.000 0.276 98 C C 2.780 177.761 174.990 -0.014 0.000 1.236 98 C CA 1.232 60.242 59.018 -0.014 0.000 1.735 98 C CB -1.296 26.441 27.740 -0.004 0.000 2.031 98 C HN 0.493 nan 8.230 nan 0.000 0.474 99 A N -0.169 122.646 122.820 -0.008 0.000 1.883 99 A HA -0.132 4.189 4.320 0.001 0.000 0.217 99 A C 1.938 179.508 177.584 -0.023 0.000 1.186 99 A CA 1.899 53.934 52.037 -0.005 0.000 0.624 99 A CB -0.701 18.302 19.000 0.006 0.000 0.822 99 A HN 0.557 nan 8.150 nan 0.000 0.444 100 L N -0.719 120.488 121.223 -0.026 0.000 2.291 100 L HA -0.040 4.300 4.340 0.001 0.000 0.214 100 L C 2.288 179.071 176.870 -0.145 0.000 1.120 100 L CA 1.878 56.681 54.840 -0.062 0.000 0.799 100 L CB -0.454 41.584 42.059 -0.036 0.000 0.925 100 L HN 0.553 nan 8.230 nan 0.000 0.446 101 E N -0.136 119.963 120.200 -0.169 0.000 2.046 101 E HA -0.142 4.209 4.350 0.001 0.000 0.190 101 E C 2.187 178.569 176.600 -0.363 0.000 0.982 101 E CA 1.173 57.395 56.400 -0.296 0.000 0.800 101 E CB -0.236 29.295 29.700 -0.282 0.000 0.756 101 E HN 0.371 nan 8.360 nan 0.000 0.449 102 L N 0.644 121.754 121.223 -0.188 0.000 2.042 102 L HA -0.211 4.130 4.340 0.001 0.000 0.210 102 L C 2.637 179.435 176.870 -0.120 0.000 1.076 102 L CA 1.913 56.690 54.840 -0.105 0.000 0.749 102 L CB -0.580 41.495 42.059 0.027 0.000 0.893 102 L HN 0.301 nan 8.230 nan 0.000 0.432 103 E N 0.464 120.603 120.200 -0.101 0.000 2.077 103 E HA -0.267 4.084 4.350 0.001 0.000 0.193 103 E C 2.339 178.867 176.600 -0.119 0.000 0.989 103 E CA 1.325 57.678 56.400 -0.079 0.000 0.800 103 E CB -0.138 29.530 29.700 -0.053 0.000 0.746 103 E HN 0.215 nan 8.360 nan 0.000 0.452 104 R N -0.526 119.865 120.500 -0.180 0.000 2.092 104 R HA -0.065 4.275 4.340 0.001 0.000 0.231 104 R C 2.002 178.153 176.300 -0.248 0.000 1.119 104 R CA 1.377 57.353 56.100 -0.206 0.000 0.970 104 R CB 0.057 30.203 30.300 -0.256 0.000 0.864 104 R HN 0.278 nan 8.270 nan 0.000 0.440 105 Q N -0.786 118.794 119.800 -0.366 0.000 2.472 105 Q HA 0.032 4.373 4.340 0.001 0.000 0.208 105 Q C 0.970 176.859 176.000 -0.185 0.000 0.958 105 Q CA 0.975 56.522 55.803 -0.427 0.000 0.932 105 Q CB 0.586 28.774 28.738 -0.916 0.000 1.007 105 Q HN 0.615 nan 8.270 nan 0.000 0.508 106 G N 0.217 108.945 108.800 -0.120 0.000 2.153 106 G HA2 -0.285 3.676 3.960 0.001 0.000 0.252 106 G HA3 -0.285 3.676 3.960 0.001 0.000 0.252 106 G C 0.916 175.827 174.900 0.019 0.000 0.994 106 G CA 0.468 45.540 45.100 -0.046 0.000 0.698 106 G HN 0.309 nan 8.290 nan 0.000 0.521 107 V N 0.417 120.371 119.914 0.066 0.000 2.515 107 V HA -0.099 4.021 4.120 0.001 0.000 0.250 107 V C 2.894 179.139 176.094 0.253 0.000 1.058 107 V CA 2.126 64.559 62.300 0.222 0.000 1.064 107 V CB -0.399 31.581 31.823 0.263 0.000 0.675 107 V HN 0.528 nan 8.190 nan 0.000 0.461 108 L N -0.642 120.658 121.223 0.128 0.000 2.056 108 L HA -0.126 4.214 4.340 0.001 0.000 0.207 108 L C 2.708 179.635 176.870 0.094 0.000 1.078 108 L CA 1.476 56.381 54.840 0.108 0.000 0.749 108 L CB -0.642 41.447 42.059 0.051 0.000 0.901 108 L HN 0.322 nan 8.230 nan 0.000 0.433 109 E N 0.364 120.592 120.200 0.048 0.000 2.028 109 E HA -0.271 4.079 4.350 0.001 0.000 0.191 109 E C 2.031 178.619 176.600 -0.021 0.000 0.988 109 E CA 1.243 57.649 56.400 0.009 0.000 0.799 109 E CB -0.032 29.659 29.700 -0.016 0.000 0.755 109 E HN 0.450 nan 8.360 nan 0.000 0.447 110 E N -0.653 119.511 120.200 -0.060 0.000 2.147 110 E HA -0.200 4.150 4.350 0.001 0.000 0.199 110 E C 0.803 177.104 176.600 -0.499 0.000 1.005 110 E CA 1.232 57.461 56.400 -0.284 0.000 0.810 110 E CB -0.026 29.493 29.700 -0.302 0.000 0.736 110 E HN 0.155 nan 8.360 nan 0.000 0.460 111 F N -0.949 119.011 119.950 0.016 0.000 2.735 111 F HA 0.343 4.871 4.527 0.001 0.000 0.308 111 F C 0.788 176.597 175.800 0.015 0.000 1.112 111 F CA 0.111 58.121 58.000 0.016 0.000 1.235 111 F CB 1.353 40.365 39.000 0.020 0.000 1.027 111 F HN 0.040 nan 8.300 nan 0.000 0.528 112 G N 1.940 110.816 108.800 0.126 0.000 2.372 112 G HA2 -0.220 3.740 3.960 0.001 0.000 0.297 112 G HA3 -0.220 3.740 3.960 0.001 0.000 0.297 112 G C -0.440 174.517 174.900 0.095 0.000 1.005 112 G CA 0.016 45.165 45.100 0.083 0.000 1.173 112 G HN 0.179 nan 8.290 nan 0.000 0.511 113 V N 1.247 121.221 119.914 0.100 0.000 2.370 113 V HA 0.503 4.624 4.120 0.001 0.000 0.283 113 V C 0.778 176.903 176.094 0.052 0.000 1.023 113 V CA -0.275 62.072 62.300 0.079 0.000 0.857 113 V CB 1.735 33.608 31.823 0.083 0.000 0.985 113 V HN 0.455 nan 8.190 nan 0.000 0.443 114 T N 6.615 121.193 114.554 0.040 0.000 2.771 114 T HA 0.373 4.723 4.350 0.001 0.000 0.291 114 T C 0.000 174.712 174.700 0.020 0.000 0.954 114 T CA -0.200 61.916 62.100 0.028 0.000 1.045 114 T CB 0.809 69.692 68.868 0.025 0.000 0.917 114 T HN 0.551 nan 8.240 nan 0.000 0.484 115 M N 5.698 125.308 119.600 0.016 0.000 2.108 115 M HA 0.405 4.886 4.480 0.001 0.000 0.347 115 M C -0.384 175.920 176.300 0.007 0.000 1.326 115 M CA -0.485 54.822 55.300 0.011 0.000 1.126 115 M CB -0.119 32.488 32.600 0.012 0.000 1.606 115 M HN 0.629 nan 8.290 nan 0.000 0.462 116 I N 0.593 121.163 120.570 0.000 0.000 2.982 116 I HA 0.918 5.088 4.170 0.001 0.000 0.312 116 I C 0.747 176.863 176.117 -0.003 0.000 1.041 116 I CA -0.179 61.118 61.300 -0.005 0.000 1.053 116 I CB 1.694 39.683 38.000 -0.020 0.000 1.248 116 I HN 0.817 nan 8.210 nan 0.000 0.471 117 G N 2.877 111.678 108.800 0.001 0.000 4.365 117 G HA2 -0.126 3.835 3.960 0.001 0.000 0.214 117 G HA3 -0.126 3.835 3.960 0.001 0.000 0.214 117 G C 0.121 175.030 174.900 0.014 0.000 1.450 117 G CA 0.266 45.371 45.100 0.009 0.000 0.937 117 G HN 1.675 nan 8.290 nan 0.000 0.625 118 A N 0.338 123.165 122.820 0.012 0.000 2.398 118 A HA 0.860 5.180 4.320 0.001 0.000 0.301 118 A C 0.134 177.727 177.584 0.016 0.000 1.041 118 A CA 0.980 53.026 52.037 0.015 0.000 0.711 118 A CB 1.236 20.244 19.000 0.013 0.000 1.240 118 A HN 1.983 nan 8.150 nan 0.000 0.420 119 T N -0.191 114.374 114.554 0.018 0.000 2.899 119 T HA 0.496 4.847 4.350 0.001 0.000 0.295 119 T C 1.364 176.080 174.700 0.026 0.000 1.033 119 T CA 0.174 62.285 62.100 0.019 0.000 1.084 119 T CB 1.345 70.223 68.868 0.018 0.000 0.979 119 T HN 1.564 nan 8.240 nan 0.000 0.532 120 A N 1.246 124.082 122.820 0.027 0.000 2.024 120 A HA -0.086 4.235 4.320 0.001 0.000 0.220 120 A C 1.971 179.586 177.584 0.052 0.000 1.164 120 A CA 2.037 54.098 52.037 0.040 0.000 0.643 120 A CB -1.132 17.883 19.000 0.025 0.000 0.806 120 A HN 1.030 nan 8.150 nan 0.000 0.451 121 D N -0.725 119.698 120.400 0.037 0.000 2.162 121 D HA 0.101 4.741 4.640 0.001 0.000 0.203 121 D C 2.034 178.360 176.300 0.044 0.000 0.967 121 D CA 1.220 55.245 54.000 0.041 0.000 0.840 121 D CB -0.162 40.654 40.800 0.027 0.000 0.972 121 D HN 0.311 nan 8.370 nan 0.000 0.482 122 A N 0.409 123.250 122.820 0.034 0.000 1.877 122 A HA -0.116 4.205 4.320 0.001 0.000 0.216 122 A C 2.343 179.945 177.584 0.029 0.000 1.186 122 A CA 1.156 53.212 52.037 0.031 0.000 0.620 122 A CB -0.866 18.148 19.000 0.025 0.000 0.822 122 A HN 0.375 nan 8.150 nan 0.000 0.443 123 I N -0.069 120.519 120.570 0.029 0.000 2.264 123 I HA -0.253 3.918 4.170 0.001 0.000 0.248 123 I C 2.340 178.453 176.117 -0.007 0.000 1.111 123 I CA 1.922 63.228 61.300 0.009 0.000 1.382 123 I CB -0.348 37.679 38.000 0.046 0.000 1.060 123 I HN 0.507 nan 8.210 nan 0.000 0.418 124 D N 1.131 121.590 120.400 0.098 0.000 2.194 124 D HA -0.193 4.448 4.640 0.001 0.000 0.204 124 D C 2.095 178.443 176.300 0.079 0.000 0.964 124 D CA 0.890 55.001 54.000 0.184 0.000 0.846 124 D CB 0.172 41.129 40.800 0.260 0.000 0.962 124 D HN 0.237 nan 8.370 nan 0.000 0.490 125 K N 0.088 120.527 120.400 0.065 0.000 2.147 125 K HA -0.087 4.233 4.320 0.001 0.000 0.205 125 K C 1.898 178.566 176.600 0.113 0.000 1.049 125 K CA 1.150 57.480 56.287 0.072 0.000 0.936 125 K CB 0.057 32.589 32.500 0.053 0.000 0.722 125 K HN 0.097 nan 8.250 nan 0.000 0.446 126 A N 0.413 123.267 122.820 0.056 0.000 1.956 126 A HA 0.006 4.327 4.320 0.001 0.000 0.212 126 A C 1.716 179.186 177.584 -0.189 0.000 1.188 126 A CA 0.579 52.644 52.037 0.048 0.000 0.675 126 A CB -0.057 18.925 19.000 -0.030 0.000 0.845 126 A HN 0.167 nan 8.150 nan 0.000 0.455 127 E N 0.693 120.664 120.200 -0.382 0.000 2.158 127 E HA -0.071 4.280 4.350 0.001 0.000 0.191 127 E C -0.032 176.210 176.600 -0.597 0.000 0.982 127 E CA 0.321 56.252 56.400 -0.782 0.000 0.823 127 E CB -0.224 28.471 29.700 -1.675 0.000 0.766 127 E HN 0.549 nan 8.360 nan 0.000 0.468 128 D N 1.310 121.571 120.400 -0.232 0.000 2.338 128 D HA 0.004 4.644 4.640 0.001 0.000 0.255 128 D C 0.778 177.114 176.300 0.060 0.000 1.237 128 D CA -0.058 53.998 54.000 0.093 0.000 0.883 128 D CB 0.511 41.455 40.800 0.239 0.000 1.087 128 D HN -0.061 nan 8.370 nan 0.000 0.485 129 R N 3.167 123.693 120.500 0.043 0.000 2.241 129 R HA -0.092 4.249 4.340 0.001 0.000 0.224 129 R C 2.022 178.384 176.300 0.103 0.000 1.101 129 R CA 0.363 56.498 56.100 0.058 0.000 0.995 129 R CB 0.164 30.469 30.300 0.008 0.000 0.870 129 R HN 0.445 nan 8.270 nan 0.000 0.463 130 R N 1.243 121.802 120.500 0.099 0.000 2.062 130 R HA -0.035 4.306 4.340 0.001 0.000 0.229 130 R C 2.167 178.515 176.300 0.079 0.000 1.128 130 R CA 1.057 57.208 56.100 0.085 0.000 0.960 130 R CB 0.058 30.418 30.300 0.101 0.000 0.855 130 R HN 0.128 nan 8.270 nan 0.000 0.432 131 R N -0.509 120.046 120.500 0.092 0.000 2.083 131 R HA -0.173 4.168 4.340 0.001 0.000 0.237 131 R C 2.223 178.559 176.300 0.060 0.000 1.137 131 R CA 1.718 57.860 56.100 0.069 0.000 0.951 131 R CB -0.525 29.826 30.300 0.085 0.000 0.851 131 R HN 0.223 nan 8.270 nan 0.000 0.434 132 F N 1.951 121.883 119.950 -0.030 0.000 2.126 132 F HA -0.245 4.282 4.527 0.001 0.000 0.299 132 F C 1.909 177.685 175.800 -0.040 0.000 1.096 132 F CA 1.983 59.954 58.000 -0.047 0.000 1.255 132 F CB -0.259 38.697 39.000 -0.073 0.000 0.997 132 F HN -0.007 nan 8.300 nan 0.000 0.479 133 D N -0.544 119.901 120.400 0.075 0.000 2.117 133 D HA -0.174 4.467 4.640 0.001 0.000 0.197 133 D C 2.269 178.516 176.300 -0.089 0.000 0.987 133 D CA 1.447 55.444 54.000 -0.005 0.000 0.829 133 D CB -0.138 40.688 40.800 0.042 0.000 0.961 133 D HN 0.160 nan 8.370 nan 0.000 0.460 134 V N 0.614 120.490 119.914 -0.062 0.000 2.332 134 V HA -0.260 3.861 4.120 0.001 0.000 0.248 134 V C 2.483 178.506 176.094 -0.117 0.000 1.055 134 V CA 1.814 64.074 62.300 -0.067 0.000 1.038 134 V CB -0.870 30.933 31.823 -0.032 0.000 0.651 134 V HN 0.329 nan 8.190 nan 0.000 0.450 135 A N -0.523 122.188 122.820 -0.181 0.000 1.908 135 A HA -0.252 4.069 4.320 0.001 0.000 0.218 135 A C 2.219 179.645 177.584 -0.263 0.000 1.181 135 A CA 2.187 54.087 52.037 -0.228 0.000 0.627 135 A CB -0.481 18.331 19.000 -0.314 0.000 0.818 135 A HN 0.418 nan 8.150 nan 0.000 0.445 136 M N -0.389 118.994 119.600 -0.361 0.000 2.117 136 M HA -0.119 4.361 4.480 0.001 0.000 0.262 136 M C 2.081 178.296 176.300 -0.142 0.000 1.065 136 M CA 1.844 56.975 55.300 -0.281 0.000 1.114 136 M CB -1.239 31.186 32.600 -0.292 0.000 1.361 136 M HN 0.515 nan 8.290 nan 0.000 0.408 137 K N 0.451 120.783 120.400 -0.114 0.000 2.097 137 K HA -0.201 4.120 4.320 0.001 0.000 0.206 137 K C 2.132 178.698 176.600 -0.058 0.000 1.049 137 K CA 1.376 57.624 56.287 -0.065 0.000 0.933 137 K CB -0.021 32.448 32.500 -0.051 0.000 0.717 137 K HN 0.231 nan 8.250 nan 0.000 0.442 138 K N 1.254 121.611 120.400 -0.073 0.000 2.002 138 K HA -0.138 4.183 4.320 0.001 0.000 0.209 138 K C 1.911 178.481 176.600 -0.050 0.000 1.048 138 K CA 1.811 58.063 56.287 -0.057 0.000 0.930 138 K CB -0.236 32.226 32.500 -0.064 0.000 0.714 138 K HN 0.355 nan 8.250 nan 0.000 0.438 139 I N -2.267 118.265 120.570 -0.064 0.000 3.680 139 I HA 0.231 4.401 4.170 0.001 0.000 0.306 139 I C 0.666 176.764 176.117 -0.032 0.000 1.260 139 I CA 0.499 61.771 61.300 -0.047 0.000 1.201 139 I CB -0.422 37.547 38.000 -0.052 0.000 1.009 139 I HN 0.334 nan 8.210 nan 0.000 0.467 140 G N 2.078 110.858 108.800 -0.032 0.000 2.198 140 G HA2 -0.255 3.706 3.960 0.001 0.000 0.260 140 G HA3 -0.255 3.706 3.960 0.001 0.000 0.260 140 G C -0.046 174.851 174.900 -0.006 0.000 1.025 140 G CA 0.217 45.307 45.100 -0.016 0.000 0.769 140 G HN 0.476 nan 8.290 nan 0.000 0.507 141 L N -0.158 121.056 121.223 -0.015 0.000 2.325 141 L HA 0.524 4.865 4.340 0.001 0.000 0.279 141 L C 0.812 177.693 176.870 0.019 0.000 1.054 141 L CA -0.784 54.065 54.840 0.016 0.000 0.804 141 L CB 1.466 43.541 42.059 0.027 0.000 1.200 141 L HN 0.360 nan 8.230 nan 0.000 0.436 142 E N 1.561 121.796 120.200 0.058 0.000 2.331 142 E HA 0.326 4.676 4.350 0.001 0.000 0.272 142 E C -0.827 175.812 176.600 0.064 0.000 1.036 142 E CA -0.433 56.003 56.400 0.059 0.000 0.864 142 E CB 1.223 30.973 29.700 0.083 0.000 1.035 142 E HN 0.645 nan 8.360 nan 0.000 0.408 143 T N 0.367 114.942 114.554 0.036 0.000 2.901 143 T HA 0.712 5.062 4.350 0.001 0.000 0.293 143 T C -0.228 174.470 174.700 -0.004 0.000 1.084 143 T CA -0.696 61.420 62.100 0.027 0.000 1.008 143 T CB 1.466 70.352 68.868 0.030 0.000 1.170 143 T HN 0.535 nan 8.240 nan 0.000 0.509 144 A N 1.551 124.349 122.820 -0.036 0.000 2.366 144 A HA 0.542 4.863 4.320 0.001 0.000 0.249 144 A C 0.673 178.225 177.584 -0.053 0.000 1.084 144 A CA -0.622 51.367 52.037 -0.080 0.000 0.794 144 A CB -0.007 18.918 19.000 -0.125 0.000 1.034 144 A HN 0.986 nan 8.150 nan 0.000 0.491 145 R N 0.539 121.002 120.500 -0.061 0.000 2.458 145 R HA 0.263 4.603 4.340 0.001 0.000 0.303 145 R C -0.213 176.059 176.300 -0.047 0.000 1.013 145 R CA 0.983 57.055 56.100 -0.047 0.000 1.026 145 R CB -0.017 30.254 30.300 -0.050 0.000 0.948 145 R HN 0.932 nan 8.270 nan 0.000 0.417 146 S N 1.918 117.598 115.700 -0.033 0.000 2.705 146 S HA 0.836 5.307 4.470 0.001 0.000 0.280 146 S C -0.592 173.995 174.600 -0.023 0.000 1.174 146 S CA -0.661 57.523 58.200 -0.028 0.000 0.823 146 S CB 2.086 65.275 63.200 -0.018 0.000 1.162 146 S HN 0.686 nan 8.310 nan 0.000 0.487 147 G N 0.035 108.823 108.800 -0.019 0.000 2.759 147 G HA2 0.564 4.524 3.960 0.001 0.000 0.297 147 G HA3 0.564 4.524 3.960 0.001 0.000 0.297 147 G C -1.349 173.531 174.900 -0.033 0.000 1.434 147 G CA -0.686 44.401 45.100 -0.021 0.000 0.980 147 G HN 0.612 nan 8.290 nan 0.000 0.531 148 I N 1.137 121.675 120.570 -0.053 0.000 2.472 148 I HA 0.587 4.757 4.170 0.001 0.000 0.290 148 I C 0.522 176.521 176.117 -0.197 0.000 1.016 148 I CA -0.373 60.850 61.300 -0.129 0.000 1.348 148 I CB 1.476 39.403 38.000 -0.122 0.000 1.417 148 I HN 0.634 nan 8.210 nan 0.000 0.521 149 A N 5.119 127.754 122.820 -0.308 0.000 2.427 149 A HA 0.573 4.893 4.320 0.001 0.000 0.298 149 A C -0.554 176.800 177.584 -0.384 0.000 1.036 149 A CA -0.464 51.423 52.037 -0.249 0.000 0.701 149 A CB 0.689 19.648 19.000 -0.069 0.000 1.250 149 A HN 0.850 nan 8.150 nan 0.000 0.412 150 H N 0.600 119.685 119.070 0.025 0.000 2.827 150 H HA 0.266 4.823 4.556 0.001 0.000 0.269 150 H C 0.783 176.120 175.328 0.016 0.000 1.031 150 H CA 0.994 57.052 56.048 0.017 0.000 1.202 150 H CB 1.052 30.823 29.762 0.015 0.000 1.511 150 H HN 0.776 nan 8.280 nan 0.000 0.517 151 T N -3.830 110.784 114.554 0.099 0.000 2.841 151 T HA 0.172 4.523 4.350 0.001 0.000 0.296 151 T C 0.814 175.548 174.700 0.056 0.000 1.166 151 T CA -0.930 61.214 62.100 0.073 0.000 1.007 151 T CB 1.678 70.592 68.868 0.076 0.000 1.253 151 T HN 0.008 nan 8.240 nan 0.000 0.511 152 M N 0.623 120.257 119.600 0.056 0.000 2.279 152 M HA 0.059 4.540 4.480 0.001 0.000 0.264 152 M C 2.098 178.463 176.300 0.108 0.000 1.062 152 M CA 1.945 57.290 55.300 0.075 0.000 1.099 152 M CB -0.497 32.147 32.600 0.074 0.000 1.394 152 M HN 0.896 nan 8.290 nan 0.000 0.426 153 E N -0.050 120.199 120.200 0.082 0.000 2.028 153 E HA -0.243 4.107 4.350 0.001 0.000 0.191 153 E C 1.824 178.469 176.600 0.074 0.000 0.988 153 E CA 1.735 58.179 56.400 0.074 0.000 0.799 153 E CB -0.207 29.527 29.700 0.056 0.000 0.755 153 E HN 0.614 nan 8.360 nan 0.000 0.447 154 E N 0.068 120.309 120.200 0.068 0.000 2.065 154 E HA -0.299 4.051 4.350 0.001 0.000 0.201 154 E C 2.042 178.685 176.600 0.071 0.000 1.016 154 E CA 1.331 57.764 56.400 0.055 0.000 0.818 154 E CB -0.261 29.469 29.700 0.050 0.000 0.749 154 E HN 0.429 nan 8.360 nan 0.000 0.453 155 A N 0.758 123.644 122.820 0.110 0.000 1.865 155 A HA -0.210 4.110 4.320 0.001 0.000 0.217 155 A C 2.188 179.978 177.584 0.343 0.000 1.191 155 A CA 1.463 53.641 52.037 0.234 0.000 0.623 155 A CB -0.804 18.311 19.000 0.192 0.000 0.826 155 A HN 0.202 nan 8.150 nan 0.000 0.444 156 L N -0.745 120.648 121.223 0.284 0.000 2.191 156 L HA -0.178 4.163 4.340 0.001 0.000 0.212 156 L C 2.969 179.805 176.870 -0.057 0.000 1.103 156 L CA 0.946 55.846 54.840 0.100 0.000 0.769 156 L CB -0.402 41.723 42.059 0.110 0.000 0.908 156 L HN 0.442 nan 8.230 nan 0.000 0.438 157 A N -0.546 122.271 122.820 -0.004 0.000 1.930 157 A HA -0.107 4.214 4.320 0.001 0.000 0.217 157 A C 2.319 179.855 177.584 -0.080 0.000 1.175 157 A CA 1.510 53.522 52.037 -0.042 0.000 0.627 157 A CB -0.652 18.342 19.000 -0.010 0.000 0.815 157 A HN 0.180 nan 8.150 nan 0.000 0.443 158 V N 0.001 119.885 119.914 -0.049 0.000 2.295 158 V HA -0.246 3.874 4.120 0.001 0.000 0.246 158 V C 3.049 179.035 176.094 -0.180 0.000 1.049 158 V CA 1.874 64.135 62.300 -0.066 0.000 1.024 158 V CB -1.362 30.468 31.823 0.011 0.000 0.648 158 V HN 0.589 nan 8.190 nan 0.000 0.447 159 A N 0.154 122.778 122.820 -0.328 0.000 1.940 159 A HA -0.164 4.156 4.320 0.001 0.000 0.219 159 A C 2.394 179.618 177.584 -0.601 0.000 1.176 159 A CA 2.194 53.815 52.037 -0.694 0.000 0.631 159 A CB -0.742 17.398 19.000 -1.433 0.000 0.814 159 A HN 0.604 nan 8.150 nan 0.000 0.446 160 A N -0.397 122.185 122.820 -0.397 0.000 1.969 160 A HA -0.124 4.197 4.320 0.001 0.000 0.218 160 A C 1.833 179.282 177.584 -0.226 0.000 1.169 160 A CA 2.060 53.923 52.037 -0.290 0.000 0.635 160 A CB -0.472 18.420 19.000 -0.180 0.000 0.810 160 A HN 0.570 nan 8.150 nan 0.000 0.445 161 D N -0.305 119.978 120.400 -0.194 0.000 2.106 161 D HA -0.117 4.523 4.640 0.001 0.000 0.203 161 D C 1.991 178.201 176.300 -0.150 0.000 0.977 161 D CA 2.227 56.143 54.000 -0.139 0.000 0.844 161 D CB -0.191 40.550 40.800 -0.099 0.000 1.002 161 D HN 0.349 nan 8.370 nan 0.000 0.461 162 V N -2.246 117.562 119.914 -0.177 0.000 2.871 162 V HA 0.312 4.433 4.120 0.001 0.000 0.256 162 V C 1.288 177.261 176.094 -0.201 0.000 1.082 162 V CA 0.851 63.055 62.300 -0.160 0.000 1.105 162 V CB -1.201 30.547 31.823 -0.125 0.000 0.713 162 V HN 0.415 nan 8.190 nan 0.000 0.473 163 G N -0.104 108.499 108.800 -0.329 0.000 2.846 163 G HA2 -0.170 3.791 3.960 0.001 0.000 0.660 163 G HA3 -0.170 3.791 3.960 0.001 0.000 0.660 163 G C -0.812 173.857 174.900 -0.385 0.000 1.464 163 G CA -0.141 44.731 45.100 -0.380 0.000 0.891 163 G HN 0.540 nan 8.290 nan 0.000 0.552 164 F N 1.524 121.431 119.950 -0.071 0.000 2.397 164 F HA 0.606 5.133 4.527 0.001 0.000 0.331 164 F C -0.733 175.066 175.800 -0.000 0.000 1.090 164 F CA -1.732 56.239 58.000 -0.048 0.000 1.065 164 F CB 0.950 39.939 39.000 -0.017 0.000 1.184 164 F HN 0.443 nan 8.300 nan 0.000 0.499 165 P HA 0.419 nan 4.420 nan 0.000 0.276 165 P C -1.153 176.184 177.300 0.062 0.000 1.252 165 P CA -0.477 62.694 63.100 0.120 0.000 0.802 165 P CB 0.924 32.528 31.700 -0.161 0.000 1.035 166 C N -0.521 118.825 119.300 0.077 0.000 2.994 166 C HA 0.738 5.198 4.460 0.001 0.000 0.305 166 C C -0.659 174.354 174.990 0.037 0.000 1.251 166 C CA -0.948 58.098 59.018 0.047 0.000 1.478 166 C CB 0.116 27.881 27.740 0.042 0.000 1.922 166 C HN 0.366 nan 8.230 nan 0.000 0.472 167 I N 2.369 122.943 120.570 0.007 0.000 2.353 167 I HA 0.515 4.686 4.170 0.001 0.000 0.293 167 I C 0.011 176.137 176.117 0.014 0.000 0.992 167 I CA -0.664 60.630 61.300 -0.009 0.000 1.268 167 I CB 1.210 39.188 38.000 -0.036 0.000 1.387 167 I HN 0.586 nan 8.210 nan 0.000 0.478 168 I N 7.008 127.576 120.570 -0.003 0.000 2.330 168 I HA 0.469 4.640 4.170 0.001 0.000 0.289 168 I C -0.176 175.916 176.117 -0.041 0.000 1.001 168 I CA -0.399 60.883 61.300 -0.030 0.000 1.193 168 I CB 0.557 38.501 38.000 -0.095 0.000 1.345 168 I HN 0.406 nan 8.210 nan 0.000 0.461 169 R N 6.779 127.255 120.500 -0.040 0.000 2.483 169 R HA 0.469 4.810 4.340 0.001 0.000 0.303 169 R C -2.788 173.489 176.300 -0.039 0.000 0.987 169 R CA -1.824 54.252 56.100 -0.039 0.000 0.881 169 R CB 1.745 32.019 30.300 -0.043 0.000 1.177 169 R HN 0.207 nan 8.270 nan 0.000 0.451 170 P HA 0.129 nan 4.420 nan 0.000 0.278 170 P C -0.524 176.779 177.300 0.005 0.000 1.238 170 P CA -0.252 62.840 63.100 -0.012 0.000 0.794 170 P CB 1.078 32.774 31.700 -0.007 0.000 0.955 171 S N 1.901 117.632 115.700 0.050 0.000 2.580 171 S HA 0.304 4.774 4.470 0.001 0.000 0.274 171 S C 0.079 174.795 174.600 0.195 0.000 1.329 171 S CA -0.046 58.211 58.200 0.095 0.000 1.036 171 S CB -0.660 62.655 63.200 0.192 0.000 0.919 171 S HN 0.444 nan 8.310 nan 0.000 0.515 172 F N -0.283 119.650 119.950 -0.029 0.000 2.988 172 F HA -0.230 4.297 4.527 0.001 0.000 0.287 172 F C 0.972 176.749 175.800 -0.040 0.000 0.781 172 F CA 0.942 58.921 58.000 -0.034 0.000 1.221 172 F CB -2.318 36.665 39.000 -0.029 0.000 1.392 172 F HN 0.672 nan 8.300 nan 0.000 0.425 173 T N -1.739 112.831 114.554 0.028 0.000 2.916 173 T HA 0.870 5.221 4.350 0.001 0.000 0.292 173 T C -0.238 174.444 174.700 -0.031 0.000 1.064 173 T CA -0.216 61.887 62.100 0.005 0.000 1.011 173 T CB 2.903 71.770 68.868 -0.001 0.000 1.152 173 T HN 0.448 nan 8.240 nan 0.000 0.510 174 M N -0.321 119.267 119.600 -0.020 0.000 2.716 174 M HA 0.822 5.303 4.480 0.001 0.000 0.278 174 M C 0.720 177.014 176.300 -0.011 0.000 1.281 174 M CA 0.397 55.697 55.300 0.000 0.000 0.814 174 M CB 0.631 33.234 32.600 0.005 0.000 1.719 174 M HN 1.500 nan 8.290 nan 0.000 0.457 175 G N -0.437 108.374 108.800 0.018 0.000 2.187 175 G HA2 0.162 4.123 3.960 0.001 0.000 0.261 175 G HA3 0.162 4.123 3.960 0.001 0.000 0.261 175 G C 1.176 175.812 174.900 -0.440 0.000 1.000 175 G CA 0.956 45.898 45.100 -0.263 0.000 0.718 175 G HN 2.603 nan 8.290 nan 0.000 0.519 176 G N -1.660 107.044 108.800 -0.161 0.000 2.155 176 G HA2 -0.092 3.868 3.960 0.001 0.000 0.257 176 G HA3 -0.092 3.868 3.960 0.001 0.000 0.257 176 G C 0.570 175.419 174.900 -0.085 0.000 0.983 176 G CA 0.811 45.873 45.100 -0.062 0.000 0.676 176 G HN 1.831 nan 8.290 nan 0.000 0.528 177 S N 0.173 115.815 115.700 -0.096 0.000 2.546 177 S HA 0.413 4.884 4.470 0.001 0.000 0.290 177 S C 1.692 176.253 174.600 -0.065 0.000 1.262 177 S CA 1.235 59.382 58.200 -0.089 0.000 1.083 177 S CB 0.844 63.998 63.200 -0.077 0.000 0.859 177 S HN 2.110 nan 8.310 nan 0.000 0.495 178 G N 2.494 111.250 108.800 -0.074 0.000 2.184 178 G HA2 -0.181 3.780 3.960 0.001 0.000 0.264 178 G HA3 -0.181 3.780 3.960 0.001 0.000 0.264 178 G C 0.344 175.204 174.900 -0.067 0.000 0.975 178 G CA -0.041 45.019 45.100 -0.067 0.000 0.642 178 G HN 1.098 nan 8.290 nan 0.000 0.536 179 G N -1.348 107.417 108.800 -0.058 0.000 2.705 179 G HA2 1.004 4.965 3.960 0.001 0.000 0.299 179 G HA3 1.004 4.965 3.960 0.001 0.000 0.299 179 G C 0.260 175.134 174.900 -0.042 0.000 1.315 179 G CA 0.188 45.259 45.100 -0.050 0.000 1.045 179 G HN 1.677 nan 8.290 nan 0.000 0.517 180 G N -1.778 107.002 108.800 -0.034 0.000 2.315 180 G HA2 0.412 4.372 3.960 0.001 0.000 0.294 180 G HA3 0.412 4.372 3.960 0.001 0.000 0.294 180 G C -1.772 173.105 174.900 -0.038 0.000 1.300 180 G CA -0.854 44.231 45.100 -0.024 0.000 0.843 180 G HN 0.657 nan 8.290 nan 0.000 0.527 181 I N 1.035 121.567 120.570 -0.063 0.000 2.404 181 I HA 0.618 4.789 4.170 0.001 0.000 0.293 181 I C 0.491 176.468 176.117 -0.234 0.000 0.992 181 I CA -0.784 60.415 61.300 -0.169 0.000 1.149 181 I CB 2.004 39.842 38.000 -0.269 0.000 1.315 181 I HN 0.735 nan 8.210 nan 0.000 0.446 182 A N 5.382 128.108 122.820 -0.157 0.000 2.271 182 A HA 0.500 4.821 4.320 0.001 0.000 0.317 182 A C -0.542 176.874 177.584 -0.279 0.000 1.245 182 A CA -0.296 51.688 52.037 -0.088 0.000 0.857 182 A CB 0.248 19.413 19.000 0.276 0.000 1.175 182 A HN 0.738 nan 8.150 nan 0.000 0.512 183 Y N 1.539 121.754 120.300 -0.142 0.000 2.510 183 Y HA 0.093 4.644 4.550 0.001 0.000 0.273 183 Y C 0.890 176.427 175.900 -0.604 0.000 1.119 183 Y CA 0.821 58.793 58.100 -0.214 0.000 1.286 183 Y CB 0.208 38.603 38.460 -0.107 0.000 1.061 183 Y HN 0.895 nan 8.280 nan 0.000 0.542 184 N N -2.577 115.679 118.700 -0.741 0.000 2.934 184 N HA 0.225 4.966 4.740 0.001 0.000 0.253 184 N C 0.278 175.277 175.510 -0.851 0.000 1.466 184 N CA -0.996 51.472 53.050 -0.971 0.000 0.858 184 N CB 0.686 38.974 38.487 -0.331 0.000 1.459 184 N HN -0.235 nan 8.380 nan 0.000 0.532 185 R N -0.172 120.073 120.500 -0.425 0.000 2.091 185 R HA -0.195 4.146 4.340 0.001 0.000 0.238 185 R C 1.389 177.749 176.300 0.100 0.000 1.136 185 R CA 1.996 58.132 56.100 0.059 0.000 0.959 185 R CB -0.149 30.233 30.300 0.137 0.000 0.856 185 R HN 0.852 nan 8.270 nan 0.000 0.437 186 E N 0.284 120.488 120.200 0.007 0.000 2.072 186 E HA -0.213 4.137 4.350 0.001 0.000 0.191 186 E C 1.577 178.196 176.600 0.032 0.000 0.985 186 E CA 1.273 57.691 56.400 0.030 0.000 0.801 186 E CB 0.070 29.775 29.700 0.009 0.000 0.750 186 E HN 0.436 nan 8.360 nan 0.000 0.452 187 E N -0.254 119.946 120.200 -0.001 0.000 2.047 187 E HA -0.162 4.188 4.350 0.001 0.000 0.191 187 E C 1.843 178.472 176.600 0.047 0.000 0.987 187 E CA 0.943 57.348 56.400 0.008 0.000 0.799 187 E CB -0.235 29.459 29.700 -0.011 0.000 0.752 187 E HN 0.248 nan 8.360 nan 0.000 0.449 188 F N 2.392 122.314 119.950 -0.048 0.000 2.027 188 F HA -0.295 4.232 4.527 0.001 0.000 0.297 188 F C 2.136 177.964 175.800 0.047 0.000 1.129 188 F CA 1.987 60.021 58.000 0.056 0.000 1.195 188 F CB -0.171 38.969 39.000 0.234 0.000 0.960 188 F HN -0.025 nan 8.300 nan 0.000 0.485 189 E N -0.315 119.980 120.200 0.158 0.000 2.097 189 E HA -0.315 4.035 4.350 0.001 0.000 0.196 189 E C 2.256 178.827 176.600 -0.049 0.000 1.000 189 E CA 1.634 58.063 56.400 0.049 0.000 0.804 189 E CB -0.439 29.331 29.700 0.118 0.000 0.740 189 E HN 0.610 nan 8.360 nan 0.000 0.454 190 E N 0.641 120.823 120.200 -0.030 0.000 2.031 190 E HA -0.203 4.148 4.350 0.001 0.000 0.193 190 E C 2.173 178.719 176.600 -0.090 0.000 0.994 190 E CA 0.977 57.349 56.400 -0.046 0.000 0.800 190 E CB -0.054 29.633 29.700 -0.022 0.000 0.752 190 E HN 0.212 nan 8.360 nan 0.000 0.447 191 I N 0.525 121.022 120.570 -0.120 0.000 2.252 191 I HA -0.320 3.850 4.170 0.001 0.000 0.245 191 I C 2.644 178.648 176.117 -0.188 0.000 1.102 191 I CA 0.667 61.882 61.300 -0.141 0.000 1.385 191 I CB -0.208 37.710 38.000 -0.135 0.000 1.064 191 I HN 0.297 nan 8.210 nan 0.000 0.414 192 C N 0.578 119.702 119.300 -0.294 0.000 2.446 192 C HA -0.101 4.359 4.460 0.001 0.000 0.277 192 C C 3.204 178.097 174.990 -0.161 0.000 1.275 192 C CA 0.845 59.683 59.018 -0.300 0.000 1.727 192 C CB -1.240 26.206 27.740 -0.490 0.000 2.010 192 C HN 0.595 nan 8.230 nan 0.000 0.486 193 A N 0.632 123.378 122.820 -0.124 0.000 1.877 193 A HA -0.242 4.079 4.320 0.001 0.000 0.216 193 A C 2.230 179.770 177.584 -0.073 0.000 1.186 193 A CA 2.006 54.002 52.037 -0.069 0.000 0.620 193 A CB -0.650 18.325 19.000 -0.042 0.000 0.822 193 A HN 0.655 nan 8.150 nan 0.000 0.443 194 R N -0.640 119.805 120.500 -0.092 0.000 2.081 194 R HA -0.093 4.248 4.340 0.001 0.000 0.235 194 R C 2.241 178.498 176.300 -0.072 0.000 1.131 194 R CA 1.729 57.776 56.100 -0.088 0.000 0.960 194 R CB -0.728 29.517 30.300 -0.091 0.000 0.856 194 R HN 0.437 nan 8.270 nan 0.000 0.436 195 G N 0.816 109.567 108.800 -0.081 0.000 2.402 195 G HA2 -0.217 3.744 3.960 0.001 0.000 0.216 195 G HA3 -0.217 3.744 3.960 0.001 0.000 0.216 195 G C 1.462 176.337 174.900 -0.042 0.000 1.162 195 G CA 0.592 45.652 45.100 -0.067 0.000 0.777 195 G HN 0.247 nan 8.290 nan 0.000 0.539 196 L N 0.129 121.325 121.223 -0.045 0.000 2.079 196 L HA -0.088 4.253 4.340 0.001 0.000 0.210 196 L C 2.419 179.291 176.870 0.003 0.000 1.081 196 L CA 1.524 56.356 54.840 -0.014 0.000 0.752 196 L CB -0.207 41.845 42.059 -0.012 0.000 0.896 196 L HN 0.194 nan 8.230 nan 0.000 0.433 197 D N -0.966 119.430 120.400 -0.006 0.000 2.323 197 D HA -0.115 4.525 4.640 0.001 0.000 0.209 197 D C 1.819 178.121 176.300 0.003 0.000 0.973 197 D CA 0.324 54.326 54.000 0.005 0.000 0.874 197 D CB 0.404 41.203 40.800 -0.002 0.000 0.930 197 D HN 0.082 nan 8.370 nan 0.000 0.521 198 L N -0.418 120.800 121.223 -0.008 0.000 2.253 198 L HA 0.272 4.613 4.340 0.001 0.000 0.205 198 L C 0.680 177.555 176.870 0.009 0.000 1.078 198 L CA 0.352 55.188 54.840 -0.005 0.000 0.805 198 L CB -0.321 41.724 42.059 -0.022 0.000 0.963 198 L HN -0.170 nan 8.230 nan 0.000 0.459 199 S N 0.649 116.358 115.700 0.016 0.000 2.544 199 S HA 0.063 4.533 4.470 0.001 0.000 0.290 199 S C -1.478 173.139 174.600 0.029 0.000 1.276 199 S CA -0.849 57.376 58.200 0.042 0.000 1.075 199 S CB 0.455 63.687 63.200 0.053 0.000 0.849 199 S HN 0.131 nan 8.310 nan 0.000 0.494 200 P HA -0.004 nan 4.420 nan 0.000 0.225 200 P C 0.998 178.236 177.300 -0.103 0.000 1.148 200 P CA 0.959 64.027 63.100 -0.054 0.000 0.779 200 P CB -0.092 31.544 31.700 -0.107 0.000 0.780 201 T N -5.025 109.501 114.554 -0.047 0.000 3.085 201 T HA 0.199 4.550 4.350 0.001 0.000 0.264 201 T C 0.651 175.377 174.700 0.042 0.000 1.019 201 T CA -0.544 61.530 62.100 -0.044 0.000 0.910 201 T CB -0.547 68.324 68.868 0.005 0.000 1.059 201 T HN -0.035 nan 8.240 nan 0.000 0.542 202 K N 1.070 121.499 120.400 0.047 0.000 3.451 202 K HA -0.224 4.097 4.320 0.001 0.000 0.273 202 K C -0.575 176.113 176.600 0.147 0.000 0.944 202 K CA 0.719 57.050 56.287 0.072 0.000 0.734 202 K CB -1.148 31.387 32.500 0.058 0.000 1.437 202 K HN 0.819 nan 8.250 nan 0.000 0.454 203 E N 1.196 121.470 120.200 0.122 0.000 2.356 203 E HA 0.557 4.907 4.350 0.001 0.000 0.275 203 E C -1.199 175.406 176.600 0.008 0.000 0.904 203 E CA -0.964 55.497 56.400 0.101 0.000 0.757 203 E CB 1.151 30.961 29.700 0.184 0.000 1.232 203 E HN 0.268 nan 8.360 nan 0.000 0.442 204 L N 3.132 124.310 121.223 -0.075 0.000 2.388 204 L HA 0.572 4.912 4.340 0.001 0.000 0.264 204 L C -1.117 175.705 176.870 -0.080 0.000 0.998 204 L CA -1.161 53.637 54.840 -0.070 0.000 0.817 204 L CB 1.905 43.911 42.059 -0.088 0.000 1.338 204 L HN 0.474 nan 8.230 nan 0.000 0.414 205 L N 2.948 124.142 121.223 -0.048 0.000 2.333 205 L HA 0.657 4.998 4.340 0.001 0.000 0.280 205 L C -1.102 175.757 176.870 -0.018 0.000 1.004 205 L CA 0.054 54.874 54.840 -0.034 0.000 0.820 205 L CB 1.517 43.564 42.059 -0.020 0.000 1.247 205 L HN 0.405 nan 8.230 nan 0.000 0.416 206 I N 4.210 124.782 120.570 0.003 0.000 2.406 206 I HA 0.439 4.610 4.170 0.001 0.000 0.290 206 I C -0.996 175.128 176.117 0.011 0.000 0.999 206 I CA -0.248 61.077 61.300 0.041 0.000 1.124 206 I CB 1.685 39.764 38.000 0.132 0.000 1.289 206 I HN 0.607 nan 8.210 nan 0.000 0.441 207 D N 4.347 124.745 120.400 -0.004 0.000 2.433 207 D HA 0.312 4.952 4.640 0.001 0.000 0.236 207 D C -0.581 175.687 176.300 -0.054 0.000 1.026 207 D CA -0.771 53.207 54.000 -0.037 0.000 0.884 207 D CB 1.172 41.941 40.800 -0.052 0.000 1.384 207 D HN 0.562 nan 8.370 nan 0.000 0.477 208 E N -0.066 120.088 120.200 -0.077 0.000 2.425 208 E HA 0.138 4.488 4.350 0.001 0.000 0.258 208 E C -0.311 176.223 176.600 -0.110 0.000 1.151 208 E CA -0.527 55.819 56.400 -0.090 0.000 0.958 208 E CB 0.670 30.312 29.700 -0.096 0.000 0.968 208 E HN 0.183 nan 8.360 nan 0.000 0.451 209 S N 1.260 116.901 115.700 -0.099 0.000 2.548 209 S HA 0.163 4.634 4.470 0.001 0.000 0.277 209 S C 0.286 174.761 174.600 -0.209 0.000 1.315 209 S CA -0.624 57.509 58.200 -0.112 0.000 1.050 209 S CB 0.067 63.239 63.200 -0.047 0.000 0.918 209 S HN 0.548 nan 8.310 nan 0.000 0.497 210 L N 5.321 126.377 121.223 -0.278 0.000 3.267 210 L HA 0.396 4.736 4.340 0.001 0.000 0.289 210 L C -0.087 176.639 176.870 -0.240 0.000 1.260 210 L CA -0.248 54.259 54.840 -0.556 0.000 1.034 210 L CB 0.158 41.808 42.059 -0.681 0.000 1.413 210 L HN 0.614 nan 8.230 nan 0.000 0.594 211 I N 0.994 121.521 120.570 -0.072 0.000 2.775 211 I HA -0.042 4.128 4.170 0.001 0.000 0.290 211 I C 1.565 177.759 176.117 0.128 0.000 1.203 211 I CA 1.478 62.801 61.300 0.039 0.000 1.433 211 I CB 0.452 38.486 38.000 0.057 0.000 1.354 211 I HN 0.477 nan 8.210 nan 0.000 0.579 212 G N 4.444 113.328 108.800 0.140 0.000 2.241 212 G HA2 -0.241 3.720 3.960 0.001 0.000 0.244 212 G HA3 -0.241 3.720 3.960 0.001 0.000 0.244 212 G C -0.087 174.992 174.900 0.299 0.000 0.998 212 G CA -0.480 44.716 45.100 0.161 0.000 0.621 212 G HN 0.533 nan 8.290 nan 0.000 0.519 213 W N 1.863 123.198 121.300 0.058 0.000 2.093 213 W HA 0.607 5.267 4.660 0.000 0.000 0.352 213 W C 1.124 177.692 176.519 0.083 0.000 1.294 213 W CA -0.482 56.916 57.345 0.089 0.000 1.290 213 W CB 0.417 29.932 29.460 0.092 0.000 1.149 213 W HN 0.019 nan 8.180 nan 0.000 0.606 214 K N 1.544 122.104 120.400 0.267 0.000 2.295 214 K HA 0.121 4.442 4.320 0.001 0.000 0.270 214 K C -0.352 176.336 176.600 0.148 0.000 1.011 214 K CA -0.301 56.079 56.287 0.155 0.000 0.953 214 K CB 0.853 33.459 32.500 0.176 0.000 0.956 214 K HN 0.382 nan 8.250 nan 0.000 0.477 215 E N 2.550 122.711 120.200 -0.066 0.000 2.176 215 E HA 0.257 4.607 4.350 0.001 0.000 0.267 215 E C -1.608 174.846 176.600 -0.243 0.000 0.893 215 E CA -0.565 55.824 56.400 -0.018 0.000 0.761 215 E CB 0.745 30.451 29.700 0.009 0.000 1.133 215 E HN 0.359 nan 8.360 nan 0.000 0.409 216 Y N 1.627 122.026 120.300 0.165 0.000 2.570 216 Y HA 0.444 4.994 4.550 0.001 0.000 0.345 216 Y C -0.276 175.739 175.900 0.190 0.000 1.014 216 Y CA -0.799 57.397 58.100 0.161 0.000 1.063 216 Y CB 2.285 40.830 38.460 0.142 0.000 1.272 216 Y HN 0.479 nan 8.280 nan 0.000 0.477 217 E N 2.014 122.411 120.200 0.328 0.000 2.367 217 E HA 0.688 5.038 4.350 0.001 0.000 0.273 217 E C -1.468 175.259 176.600 0.211 0.000 0.903 217 E CA -1.046 55.495 56.400 0.235 0.000 0.764 217 E CB 3.183 32.954 29.700 0.119 0.000 1.252 217 E HN 0.461 nan 8.360 nan 0.000 0.446 218 M N 1.477 121.186 119.600 0.183 0.000 2.324 218 M HA 0.263 4.744 4.480 0.001 0.000 0.288 218 M C -1.365 174.977 176.300 0.070 0.000 1.097 218 M CA -0.783 54.584 55.300 0.112 0.000 0.928 218 M CB 2.443 35.106 32.600 0.105 0.000 1.648 218 M HN 0.334 nan 8.290 nan 0.000 0.460 219 E N 3.254 123.469 120.200 0.025 0.000 2.081 219 E HA 0.469 4.819 4.350 0.001 0.000 0.281 219 E C -1.064 175.506 176.600 -0.049 0.000 0.986 219 E CA -0.241 56.156 56.400 -0.005 0.000 0.796 219 E CB 1.543 31.232 29.700 -0.019 0.000 1.085 219 E HN 0.366 nan 8.360 nan 0.000 0.398 220 V N 2.232 122.129 119.914 -0.028 0.000 2.881 220 V HA 0.577 4.697 4.120 0.001 0.000 0.316 220 V C 0.065 176.135 176.094 -0.041 0.000 1.070 220 V CA -0.956 61.318 62.300 -0.043 0.000 0.976 220 V CB 2.262 34.083 31.823 -0.003 0.000 1.038 220 V HN 0.316 nan 8.190 nan 0.000 0.446 221 V N 2.862 122.747 119.914 -0.049 0.000 2.623 221 V HA 0.624 4.744 4.120 0.001 0.000 0.304 221 V C -0.412 175.691 176.094 0.014 0.000 1.054 221 V CA -0.666 61.627 62.300 -0.012 0.000 0.882 221 V CB 1.928 33.741 31.823 -0.017 0.000 1.002 221 V HN 0.939 nan 8.190 nan 0.000 0.424 222 R N 2.682 123.203 120.500 0.035 0.000 2.686 222 R HA 0.701 5.042 4.340 0.001 0.000 0.283 222 R C -1.499 174.834 176.300 0.054 0.000 0.978 222 R CA -0.476 55.649 56.100 0.041 0.000 0.897 222 R CB 2.090 32.410 30.300 0.032 0.000 1.192 222 R HN 0.926 nan 8.270 nan 0.000 0.457 223 D N 1.736 122.170 120.400 0.058 0.000 2.467 223 D HA 0.123 4.763 4.640 0.001 0.000 0.245 223 D C 0.410 176.740 176.300 0.050 0.000 1.038 223 D CA -0.841 53.197 54.000 0.064 0.000 1.038 223 D CB 1.071 41.921 40.800 0.083 0.000 1.278 223 D HN 0.623 nan 8.370 nan 0.000 0.564 224 K N -0.192 120.237 120.400 0.049 0.000 2.281 224 K HA -0.139 4.182 4.320 0.001 0.000 0.203 224 K C 0.331 176.951 176.600 0.034 0.000 1.046 224 K CA 0.962 57.271 56.287 0.036 0.000 0.938 224 K CB -0.362 32.156 32.500 0.030 0.000 0.737 224 K HN 0.146 nan 8.250 nan 0.000 0.458 225 N N 1.225 119.950 118.700 0.041 0.000 2.398 225 N HA -0.064 4.677 4.740 0.001 0.000 0.188 225 N C -0.471 175.060 175.510 0.035 0.000 1.122 225 N CA 0.910 53.983 53.050 0.037 0.000 0.866 225 N CB 0.071 38.584 38.487 0.043 0.000 0.970 225 N HN 0.360 nan 8.380 nan 0.000 0.462 226 D N -0.704 119.717 120.400 0.035 0.000 3.099 226 D HA -0.156 4.485 4.640 0.001 0.000 0.213 226 D C -0.969 175.352 176.300 0.035 0.000 1.121 226 D CA 0.367 54.385 54.000 0.031 0.000 0.951 226 D CB -1.511 39.304 40.800 0.024 0.000 1.102 226 D HN 0.124 nan 8.370 nan 0.000 0.423 227 N N 0.386 119.113 118.700 0.044 0.000 2.520 227 N HA 0.368 5.108 4.740 0.001 0.000 0.273 227 N C -0.445 175.092 175.510 0.046 0.000 1.155 227 N CA 0.139 53.218 53.050 0.050 0.000 0.967 227 N CB 1.393 39.920 38.487 0.065 0.000 1.092 227 N HN 0.314 nan 8.380 nan 0.000 0.457 228 C N 3.784 123.106 119.300 0.037 0.000 2.551 228 C HA 0.692 5.152 4.460 0.001 0.000 0.332 228 C C -0.701 174.293 174.990 0.007 0.000 1.139 228 C CA -0.738 58.293 59.018 0.023 0.000 1.328 228 C CB -0.635 27.115 27.740 0.017 0.000 1.903 228 C HN 0.740 nan 8.230 nan 0.000 0.459 229 I N 3.600 124.158 120.570 -0.019 0.000 2.785 229 I HA 0.682 4.853 4.170 0.001 0.000 0.302 229 I C -0.915 175.134 176.117 -0.113 0.000 1.069 229 I CA -0.849 60.413 61.300 -0.064 0.000 1.045 229 I CB 1.598 39.538 38.000 -0.099 0.000 1.236 229 I HN 0.274 nan 8.210 nan 0.000 0.429 230 I N 4.963 125.463 120.570 -0.117 0.000 2.297 230 I HA 0.153 4.323 4.170 0.001 0.000 0.291 230 I C 1.069 177.059 176.117 -0.212 0.000 1.033 230 I CA -0.304 60.923 61.300 -0.120 0.000 1.253 230 I CB 1.358 39.323 38.000 -0.058 0.000 1.396 230 I HN 0.597 nan 8.210 nan 0.000 0.476 231 V N 5.222 124.957 119.914 -0.298 0.000 2.488 231 V HA -0.072 4.049 4.120 0.001 0.000 0.246 231 V C 0.777 176.733 176.094 -0.231 0.000 1.046 231 V CA 1.038 63.066 62.300 -0.452 0.000 1.053 231 V CB 0.234 31.672 31.823 -0.642 0.000 0.679 231 V HN 0.884 nan 8.190 nan 0.000 0.458 232 C N -0.087 119.145 119.300 -0.113 0.000 3.181 232 C HA 0.592 5.053 4.460 0.001 0.000 0.362 232 C C -0.112 174.900 174.990 0.036 0.000 1.125 232 C CA -0.441 58.562 59.018 -0.025 0.000 1.265 232 C CB 1.185 28.921 27.740 -0.007 0.000 1.632 232 C HN 0.494 nan 8.230 nan 0.000 0.525 233 S N 4.257 120.012 115.700 0.093 0.000 2.593 233 S HA 0.909 5.379 4.470 0.001 0.000 0.297 233 S C -0.964 173.730 174.600 0.157 0.000 1.112 233 S CA -0.576 57.712 58.200 0.145 0.000 1.043 233 S CB 1.283 64.640 63.200 0.260 0.000 1.054 233 S HN 0.730 nan 8.310 nan 0.000 0.516 234 I N 0.942 121.632 120.570 0.201 0.000 2.569 234 I HA 0.420 4.591 4.170 0.001 0.000 0.290 234 I C -0.672 175.588 176.117 0.238 0.000 1.088 234 I CA -0.392 61.018 61.300 0.183 0.000 1.047 234 I CB 2.297 40.370 38.000 0.122 0.000 1.237 234 I HN 0.825 nan 8.210 nan 0.000 0.421 235 E N 6.165 126.470 120.200 0.175 0.000 2.158 235 E HA 0.348 4.699 4.350 0.001 0.000 0.271 235 E C -0.949 175.638 176.600 -0.023 0.000 0.911 235 E CA -0.596 55.801 56.400 -0.004 0.000 0.767 235 E CB 1.151 30.965 29.700 0.191 0.000 1.120 235 E HN 0.542 nan 8.360 nan 0.000 0.405 236 N N 4.183 122.793 118.700 -0.150 0.000 2.520 236 N HA 0.057 4.797 4.740 0.001 0.000 0.273 236 N C 0.193 175.654 175.510 -0.082 0.000 1.155 236 N CA -0.142 52.871 53.050 -0.061 0.000 0.967 236 N CB 0.650 39.103 38.487 -0.057 0.000 1.092 236 N HN 0.545 nan 8.380 nan 0.000 0.457 237 F N 2.231 121.995 119.950 -0.310 0.000 2.128 237 F HA -0.012 4.516 4.527 0.001 0.000 0.295 237 F C 0.546 176.190 175.800 -0.261 0.000 1.100 237 F CA 0.871 58.515 58.000 -0.594 0.000 1.260 237 F CB 0.260 38.922 39.000 -0.563 0.000 1.009 237 F HN 0.392 nan 8.300 nan 0.000 0.476 238 D N 1.820 122.257 120.400 0.060 0.000 2.312 238 D HA 0.293 4.933 4.640 0.001 0.000 0.252 238 D C 0.422 176.714 176.300 -0.013 0.000 1.150 238 D CA 0.338 54.350 54.000 0.020 0.000 0.870 238 D CB 1.387 42.273 40.800 0.142 0.000 1.153 238 D HN 0.325 nan 8.370 nan 0.000 0.457 239 A N 3.242 126.047 122.820 -0.026 0.000 2.281 239 A HA 0.135 4.456 4.320 0.001 0.000 0.271 239 A C 0.780 178.392 177.584 0.046 0.000 1.196 239 A CA -0.402 51.645 52.037 0.016 0.000 0.807 239 A CB 0.186 19.202 19.000 0.026 0.000 1.138 239 A HN 0.520 nan 8.150 nan 0.000 0.506 240 M N 0.102 119.752 119.600 0.084 0.000 2.261 240 M HA 0.239 4.720 4.480 0.001 0.000 0.350 240 M C 1.351 177.685 176.300 0.057 0.000 1.343 240 M CA 1.873 57.219 55.300 0.076 0.000 1.003 240 M CB -0.407 32.265 32.600 0.120 0.000 1.848 240 M HN 1.409 nan 8.290 nan 0.000 0.456 241 G N 3.904 112.729 108.800 0.043 0.000 2.380 241 G HA2 -0.129 3.832 3.960 0.001 0.000 0.197 241 G HA3 -0.129 3.832 3.960 0.001 0.000 0.197 241 G C 0.033 174.980 174.900 0.079 0.000 1.001 241 G CA -0.626 44.505 45.100 0.053 0.000 0.668 241 G HN 0.557 nan 8.290 nan 0.000 0.483 242 I N 2.478 123.100 120.570 0.086 0.000 2.389 242 I HA 0.342 4.512 4.170 0.001 0.000 0.288 242 I C 0.602 176.800 176.117 0.135 0.000 0.999 242 I CA -1.075 60.303 61.300 0.128 0.000 1.129 242 I CB 1.400 39.478 38.000 0.131 0.000 1.288 242 I HN 0.157 nan 8.210 nan 0.000 0.444 243 H N 4.987 124.106 119.070 0.082 0.000 3.038 243 H HA -0.070 4.486 4.556 0.001 0.000 0.338 243 H C 1.153 176.521 175.328 0.067 0.000 1.041 243 H CA 1.267 57.352 56.048 0.062 0.000 1.394 243 H CB 1.292 31.088 29.762 0.056 0.000 1.357 243 H HN 0.865 nan 8.280 nan 0.000 0.600 244 T N 0.731 115.156 114.554 -0.215 0.000 2.737 244 T HA -0.143 4.207 4.350 0.001 0.000 0.269 244 T C 2.124 176.901 174.700 0.129 0.000 1.040 244 T CA 1.166 63.237 62.100 -0.048 0.000 1.142 244 T CB -0.669 68.115 68.868 -0.141 0.000 0.861 244 T HN 0.628 nan 8.240 nan 0.000 0.456 245 G N 0.703 109.743 108.800 0.399 0.000 2.484 245 G HA2 -0.043 3.917 3.960 0.001 0.000 0.218 245 G HA3 -0.043 3.917 3.960 0.001 0.000 0.218 245 G C 1.069 176.057 174.900 0.148 0.000 1.130 245 G CA 0.619 45.873 45.100 0.255 0.000 0.784 245 G HN 0.488 nan 8.290 nan 0.000 0.543 246 D N -0.266 120.280 120.400 0.244 0.000 2.369 246 D HA 0.220 4.861 4.640 0.001 0.000 0.211 246 D C 0.672 177.171 176.300 0.331 0.000 1.077 246 D CA 0.031 54.211 54.000 0.301 0.000 0.842 246 D CB 0.645 41.713 40.800 0.447 0.000 0.947 246 D HN 0.065 nan 8.370 nan 0.000 0.509 247 S N -0.048 115.775 115.700 0.205 0.000 2.617 247 S HA 0.441 4.911 4.470 0.001 0.000 0.283 247 S C 0.419 175.081 174.600 0.104 0.000 1.189 247 S CA -0.603 57.695 58.200 0.164 0.000 1.036 247 S CB 1.639 64.906 63.200 0.113 0.000 1.014 247 S HN 0.052 nan 8.310 nan 0.000 0.522 248 I N 2.704 123.331 120.570 0.094 0.000 2.395 248 I HA 0.265 4.436 4.170 0.001 0.000 0.289 248 I C 0.566 176.691 176.117 0.014 0.000 1.023 248 I CA 0.007 61.285 61.300 -0.037 0.000 1.350 248 I CB 1.057 38.869 38.000 -0.314 0.000 1.409 248 I HN 0.667 nan 8.210 nan 0.000 0.507 249 T N 3.831 118.382 114.554 -0.005 0.000 2.906 249 T HA 0.772 5.123 4.350 0.001 0.000 0.295 249 T C -0.549 174.179 174.700 0.047 0.000 1.075 249 T CA -0.759 61.359 62.100 0.030 0.000 1.005 249 T CB 1.956 70.846 68.868 0.037 0.000 1.136 249 T HN 0.429 nan 8.240 nan 0.000 0.498 250 V N -1.606 118.370 119.914 0.104 0.000 3.007 250 V HA 1.017 5.137 4.120 0.001 0.000 0.311 250 V C -0.651 175.528 176.094 0.142 0.000 1.120 250 V CA -1.214 61.174 62.300 0.147 0.000 0.980 250 V CB 1.270 33.257 31.823 0.273 0.000 1.033 250 V HN 1.570 nan 8.190 nan 0.000 0.429 251 A N 4.671 127.560 122.820 0.115 0.000 2.356 251 A HA 1.043 5.363 4.320 0.001 0.000 0.310 251 A C -2.845 174.776 177.584 0.062 0.000 1.075 251 A CA -1.745 50.345 52.037 0.088 0.000 0.746 251 A CB 1.889 20.927 19.000 0.064 0.000 1.221 251 A HN 0.799 nan 8.150 nan 0.000 0.443 252 P HA 0.527 nan 4.420 nan 0.000 0.321 252 P C 0.037 177.389 177.300 0.085 0.000 1.304 252 P CA -0.344 62.782 63.100 0.043 0.000 0.759 252 P CB 0.731 32.413 31.700 -0.030 0.000 1.385 253 A N 0.250 123.151 122.820 0.135 0.000 2.483 253 A HA 0.077 4.397 4.320 0.001 0.000 0.238 253 A C 1.121 178.704 177.584 -0.002 0.000 1.070 253 A CA 0.334 52.495 52.037 0.206 0.000 0.770 253 A CB -0.347 18.828 19.000 0.292 0.000 1.008 253 A HN 0.450 nan 8.150 nan 0.000 0.497 254 Q N 0.296 120.045 119.800 -0.085 0.000 2.511 254 Q HA 0.014 4.355 4.340 0.001 0.000 0.236 254 Q C 1.384 177.057 176.000 -0.546 0.000 0.893 254 Q CA 1.694 57.206 55.803 -0.484 0.000 0.947 254 Q CB -0.104 28.060 28.738 -0.958 0.000 1.110 254 Q HN 0.988 nan 8.270 nan 0.000 0.591 255 T N -1.509 112.853 114.554 -0.320 0.000 3.243 255 T HA 0.479 4.829 4.350 0.001 0.000 0.264 255 T C 0.443 175.080 174.700 -0.106 0.000 1.000 255 T CA -0.137 61.809 62.100 -0.256 0.000 0.901 255 T CB -0.381 68.371 68.868 -0.194 0.000 1.083 255 T HN -0.103 nan 8.240 nan 0.000 0.559 256 L N 2.730 123.893 121.223 -0.101 0.000 2.317 256 L HA 0.507 4.847 4.340 0.001 0.000 0.281 256 L C 0.855 177.665 176.870 -0.100 0.000 1.024 256 L CA -1.036 53.741 54.840 -0.103 0.000 0.810 256 L CB 1.827 43.805 42.059 -0.135 0.000 1.240 256 L HN 0.319 nan 8.230 nan 0.000 0.427 257 T N -2.570 111.932 114.554 -0.088 0.000 2.860 257 T HA 0.012 4.363 4.350 0.001 0.000 0.299 257 T C 0.737 175.405 174.700 -0.054 0.000 1.045 257 T CA -0.534 61.518 62.100 -0.080 0.000 1.071 257 T CB 1.278 70.105 68.868 -0.068 0.000 0.985 257 T HN 0.664 nan 8.240 nan 0.000 0.537 258 D N 0.554 120.915 120.400 -0.065 0.000 2.133 258 D HA -0.139 4.502 4.640 0.001 0.000 0.195 258 D C 1.997 178.304 176.300 0.010 0.000 0.997 258 D CA 1.542 55.519 54.000 -0.038 0.000 0.840 258 D CB -0.082 40.679 40.800 -0.064 0.000 0.947 258 D HN 0.666 nan 8.370 nan 0.000 0.452 259 K N -0.124 120.263 120.400 -0.023 0.000 2.074 259 K HA -0.194 4.127 4.320 0.001 0.000 0.209 259 K C 2.167 178.740 176.600 -0.045 0.000 1.048 259 K CA 1.586 57.855 56.287 -0.030 0.000 0.926 259 K CB -0.104 32.373 32.500 -0.038 0.000 0.713 259 K HN 0.343 nan 8.250 nan 0.000 0.444 260 E N -0.626 119.539 120.200 -0.060 0.000 2.152 260 E HA -0.180 4.171 4.350 0.001 0.000 0.192 260 E C 1.778 178.283 176.600 -0.158 0.000 0.983 260 E CA 0.755 57.086 56.400 -0.115 0.000 0.818 260 E CB -0.091 29.526 29.700 -0.138 0.000 0.758 260 E HN 0.320 nan 8.360 nan 0.000 0.467 261 Y N 1.888 122.059 120.300 -0.214 0.000 2.200 261 Y HA -0.232 4.319 4.550 0.001 0.000 0.290 261 Y C 2.284 178.064 175.900 -0.199 0.000 1.137 261 Y CA 1.447 59.408 58.100 -0.232 0.000 1.163 261 Y CB 0.220 38.568 38.460 -0.187 0.000 0.988 261 Y HN -0.059 nan 8.280 nan 0.000 0.518 262 Q N 0.275 120.071 119.800 -0.008 0.000 2.119 262 Q HA -0.156 4.185 4.340 0.001 0.000 0.201 262 Q C 2.452 178.364 176.000 -0.146 0.000 0.972 262 Q CA 1.778 57.550 55.803 -0.051 0.000 0.847 262 Q CB -0.534 28.203 28.738 -0.001 0.000 0.903 262 Q HN 0.608 nan 8.270 nan 0.000 0.433 263 I N 0.451 120.927 120.570 -0.156 0.000 2.163 263 I HA -0.300 3.871 4.170 0.001 0.000 0.243 263 I C 2.532 178.490 176.117 -0.265 0.000 1.085 263 I CA 1.220 62.421 61.300 -0.166 0.000 1.347 263 I CB -0.262 37.650 38.000 -0.147 0.000 1.044 263 I HN 0.221 nan 8.210 nan 0.000 0.408 264 M N 0.346 119.686 119.600 -0.434 0.000 2.175 264 M HA -0.229 4.252 4.480 0.001 0.000 0.264 264 M C 2.494 178.447 176.300 -0.579 0.000 1.063 264 M CA 1.597 56.469 55.300 -0.714 0.000 1.119 264 M CB -0.144 31.900 32.600 -0.926 0.000 1.377 264 M HN 0.090 nan 8.290 nan 0.000 0.415 265 R N 0.243 120.456 120.500 -0.478 0.000 2.073 265 R HA -0.151 4.189 4.340 0.001 0.000 0.234 265 R C 1.617 177.827 176.300 -0.150 0.000 1.134 265 R CA 2.377 58.286 56.100 -0.317 0.000 0.952 265 R CB -0.411 29.734 30.300 -0.257 0.000 0.850 265 R HN 0.560 nan 8.270 nan 0.000 0.433 266 N N -0.067 118.558 118.700 -0.126 0.000 2.120 266 N HA -0.166 4.574 4.740 0.001 0.000 0.188 266 N C 1.851 177.349 175.510 -0.020 0.000 1.024 266 N CA 1.031 54.046 53.050 -0.059 0.000 0.852 266 N CB -0.180 38.276 38.487 -0.053 0.000 1.003 266 N HN 0.297 nan 8.380 nan 0.000 0.424 267 A N 0.913 123.720 122.820 -0.023 0.000 1.908 267 A HA -0.157 4.163 4.320 0.001 0.000 0.218 267 A C 2.372 180.080 177.584 0.206 0.000 1.181 267 A CA 1.622 53.719 52.037 0.100 0.000 0.627 267 A CB -0.682 18.416 19.000 0.164 0.000 0.818 267 A HN 0.196 nan 8.150 nan 0.000 0.445 268 S N -0.351 115.487 115.700 0.230 0.000 2.359 268 S HA -0.191 4.279 4.470 0.001 0.000 0.224 268 S C 2.039 176.706 174.600 0.112 0.000 1.035 268 S CA 1.882 60.236 58.200 0.257 0.000 1.018 268 S CB -0.421 62.892 63.200 0.187 0.000 0.876 268 S HN 0.589 nan 8.310 nan 0.000 0.448 269 M N 0.955 120.588 119.600 0.055 0.000 2.175 269 M HA -0.069 4.412 4.480 0.001 0.000 0.264 269 M C 2.529 178.848 176.300 0.031 0.000 1.063 269 M CA 1.326 56.645 55.300 0.031 0.000 1.119 269 M CB -0.624 31.982 32.600 0.011 0.000 1.377 269 M HN 0.397 nan 8.290 nan 0.000 0.415 270 A N 0.061 122.901 122.820 0.034 0.000 1.933 270 A HA -0.102 4.219 4.320 0.001 0.000 0.218 270 A C 2.264 179.856 177.584 0.013 0.000 1.175 270 A CA 1.556 53.605 52.037 0.019 0.000 0.628 270 A CB -0.967 18.044 19.000 0.019 0.000 0.814 270 A HN 0.294 nan 8.150 nan 0.000 0.444 271 V N -0.317 119.620 119.914 0.038 0.000 2.255 271 V HA -0.263 3.857 4.120 0.001 0.000 0.247 271 V C 2.529 178.643 176.094 0.033 0.000 1.051 271 V CA 2.123 64.439 62.300 0.027 0.000 1.018 271 V CB -0.782 31.084 31.823 0.072 0.000 0.641 271 V HN 0.514 nan 8.190 nan 0.000 0.445 272 L N -0.520 120.729 121.223 0.045 0.000 2.083 272 L HA -0.133 4.208 4.340 0.001 0.000 0.209 272 L C 2.542 179.426 176.870 0.024 0.000 1.083 272 L CA 1.839 56.702 54.840 0.038 0.000 0.752 272 L CB -0.778 41.303 42.059 0.036 0.000 0.899 272 L HN 0.195 nan 8.230 nan 0.000 0.433 273 R N -0.709 119.801 120.500 0.016 0.000 2.081 273 R HA -0.194 4.146 4.340 0.001 0.000 0.235 273 R C 2.244 178.543 176.300 -0.001 0.000 1.131 273 R CA 1.370 57.475 56.100 0.009 0.000 0.960 273 R CB -0.191 30.113 30.300 0.007 0.000 0.856 273 R HN 0.283 nan 8.270 nan 0.000 0.436 274 E N 0.728 120.920 120.200 -0.014 0.000 2.112 274 E HA -0.114 4.236 4.350 0.001 0.000 0.190 274 E C 1.540 178.125 176.600 -0.025 0.000 0.979 274 E CA 0.939 57.319 56.400 -0.032 0.000 0.814 274 E CB -0.014 29.646 29.700 -0.066 0.000 0.762 274 E HN 0.064 nan 8.360 nan 0.000 0.460 275 I N 0.186 120.751 120.570 -0.008 0.000 2.394 275 I HA 0.080 4.250 4.170 0.001 0.000 0.251 275 I C 1.676 177.805 176.117 0.019 0.000 1.136 275 I CA 1.573 62.883 61.300 0.018 0.000 1.425 275 I CB -0.426 37.614 38.000 0.066 0.000 1.079 275 I HN 0.387 nan 8.210 nan 0.000 0.425 276 G N -0.096 108.714 108.800 0.016 0.000 2.145 276 G HA2 -0.153 3.807 3.960 0.001 0.000 0.176 276 G HA3 -0.153 3.807 3.960 0.001 0.000 0.176 276 G C 0.062 174.974 174.900 0.020 0.000 1.013 276 G CA -0.048 45.062 45.100 0.016 0.000 0.689 276 G HN 0.121 nan 8.290 nan 0.000 0.506 277 V N 0.492 120.421 119.914 0.024 0.000 2.389 277 V HA 0.405 4.525 4.120 0.001 0.000 0.264 277 V C 1.007 177.116 176.094 0.026 0.000 1.049 277 V CA 0.513 62.828 62.300 0.025 0.000 0.932 277 V CB 1.170 33.009 31.823 0.028 0.000 1.011 277 V HN 0.500 nan 8.190 nan 0.000 0.475 278 E N 2.154 122.369 120.200 0.025 0.000 2.539 278 E HA 0.075 4.426 4.350 0.001 0.000 0.215 278 E C 0.657 177.277 176.600 0.034 0.000 0.965 278 E CA 0.417 56.833 56.400 0.028 0.000 1.019 278 E CB 0.908 30.622 29.700 0.024 0.000 1.059 278 E HN 0.814 nan 8.360 nan 0.000 0.496 279 T N -1.633 112.942 114.554 0.034 0.000 3.839 279 T HA 0.633 4.984 4.350 0.001 0.000 0.230 279 T C 0.036 174.763 174.700 0.044 0.000 1.095 279 T CA -0.301 61.824 62.100 0.041 0.000 1.470 279 T CB 0.781 69.669 68.868 0.034 0.000 0.881 279 T HN 0.134 nan 8.240 nan 0.000 0.637 280 G N -0.364 108.465 108.800 0.048 0.000 2.340 280 G HA2 0.631 4.591 3.960 0.001 0.000 0.299 280 G HA3 0.631 4.591 3.960 0.001 0.000 0.299 280 G C -0.473 174.456 174.900 0.049 0.000 1.291 280 G CA -0.189 44.942 45.100 0.051 0.000 0.841 280 G HN 0.629 nan 8.290 nan 0.000 0.500 281 G N -1.237 107.593 108.800 0.050 0.000 2.511 281 G HA2 0.681 4.641 3.960 0.001 0.000 0.316 281 G HA3 0.681 4.641 3.960 0.001 0.000 0.316 281 G C -0.560 174.361 174.900 0.034 0.000 1.210 281 G CA 0.145 45.269 45.100 0.040 0.000 0.969 281 G HN 1.287 nan 8.290 nan 0.000 0.492 282 S N -0.909 114.807 115.700 0.027 0.000 2.558 282 S HA 0.271 4.742 4.470 0.001 0.000 0.277 282 S C -1.133 173.480 174.600 0.021 0.000 1.143 282 S CA -0.845 57.370 58.200 0.024 0.000 0.865 282 S CB 1.671 64.884 63.200 0.021 0.000 1.102 282 S HN 0.778 nan 8.310 nan 0.000 0.454 283 N N 2.146 120.854 118.700 0.014 0.000 2.426 283 N HA 0.503 5.243 4.740 0.001 0.000 0.275 283 N C -1.284 174.216 175.510 -0.018 0.000 1.019 283 N CA -0.144 52.913 53.050 0.012 0.000 0.941 283 N CB 1.061 39.557 38.487 0.016 0.000 1.123 283 N HN 0.356 nan 8.380 nan 0.000 0.486 284 V N 3.229 123.145 119.914 0.004 0.000 2.495 284 V HA 0.362 4.482 4.120 0.001 0.000 0.298 284 V C -0.231 175.794 176.094 -0.116 0.000 1.031 284 V CA -0.804 61.449 62.300 -0.079 0.000 0.871 284 V CB 1.651 33.464 31.823 -0.017 0.000 0.988 284 V HN 0.631 nan 8.190 nan 0.000 0.432 285 Q N 3.079 122.689 119.800 -0.317 0.000 2.306 285 Q HA 0.776 5.116 4.340 0.001 0.000 0.265 285 Q C -1.640 174.106 176.000 -0.424 0.000 1.022 285 Q CA -0.378 55.303 55.803 -0.202 0.000 0.853 285 Q CB 2.652 31.310 28.738 -0.134 0.000 1.327 285 Q HN 0.656 nan 8.270 nan 0.000 0.449 286 F N -0.110 119.906 119.950 0.109 0.000 2.629 286 F HA 0.780 5.307 4.527 0.001 0.000 0.316 286 F C -0.566 175.360 175.800 0.210 0.000 1.081 286 F CA -1.076 57.012 58.000 0.148 0.000 0.954 286 F CB 1.733 40.814 39.000 0.135 0.000 1.337 286 F HN 0.523 nan 8.300 nan 0.000 0.474 287 A N 0.947 124.044 122.820 0.461 0.000 2.356 287 A HA 0.840 5.160 4.320 0.001 0.000 0.310 287 A C -1.811 176.136 177.584 0.604 0.000 1.075 287 A CA -0.706 51.624 52.037 0.489 0.000 0.746 287 A CB 1.420 20.660 19.000 0.401 0.000 1.221 287 A HN 0.525 nan 8.150 nan 0.000 0.443 288 V N 2.891 123.118 119.914 0.521 0.000 2.487 288 V HA 0.316 4.437 4.120 0.001 0.000 0.298 288 V C -0.267 175.701 176.094 -0.210 0.000 1.028 288 V CA -0.961 61.470 62.300 0.219 0.000 0.860 288 V CB 1.880 33.822 31.823 0.199 0.000 0.991 288 V HN 0.903 nan 8.190 nan 0.000 0.427 289 N N 7.340 125.524 118.700 -0.860 0.000 2.405 289 N HA 0.218 4.958 4.740 0.001 0.000 0.260 289 N C -1.405 173.765 175.510 -0.567 0.000 1.152 289 N CA -1.902 50.289 53.050 -1.431 0.000 0.948 289 N CB 1.790 39.300 38.487 -1.628 0.000 1.111 289 N HN 0.302 nan 8.380 nan 0.000 0.485 290 P HA -0.119 nan 4.420 nan 0.000 0.221 290 P C 0.551 177.763 177.300 -0.147 0.000 1.145 290 P CA 1.227 64.237 63.100 -0.150 0.000 0.795 290 P CB 0.467 32.146 31.700 -0.035 0.000 0.775 291 K N -0.324 119.963 120.400 -0.188 0.000 2.365 291 K HA -0.017 4.303 4.320 0.001 0.000 0.197 291 K C 0.895 177.425 176.600 -0.116 0.000 1.042 291 K CA 0.961 57.172 56.287 -0.127 0.000 0.987 291 K CB -0.002 32.437 32.500 -0.101 0.000 0.779 291 K HN 0.229 nan 8.250 nan 0.000 0.484 292 N N -2.691 115.917 118.700 -0.153 0.000 1.997 292 N HA 0.060 4.801 4.740 0.001 0.000 0.225 292 N C 0.538 175.978 175.510 -0.116 0.000 1.383 292 N CA 0.340 53.323 53.050 -0.111 0.000 0.770 292 N CB 0.289 38.723 38.487 -0.088 0.000 1.178 292 N HN 0.011 nan 8.380 nan 0.000 0.515 293 G N 1.308 110.017 108.800 -0.152 0.000 2.180 293 G HA2 -0.437 3.524 3.960 0.001 0.000 0.263 293 G HA3 -0.437 3.524 3.960 0.001 0.000 0.263 293 G C 0.103 174.933 174.900 -0.116 0.000 0.989 293 G CA 0.514 45.535 45.100 -0.132 0.000 0.692 293 G HN 0.757 nan 8.290 nan 0.000 0.526 294 R N -0.344 120.073 120.500 -0.139 0.000 2.485 294 R HA 0.283 4.624 4.340 0.001 0.000 0.304 294 R C 0.368 176.712 176.300 0.073 0.000 0.934 294 R CA -0.190 55.895 56.100 -0.025 0.000 1.102 294 R CB 0.004 30.305 30.300 0.002 0.000 0.906 294 R HN 0.344 nan 8.270 nan 0.000 0.407 295 L N 6.426 127.722 121.223 0.122 0.000 2.289 295 L HA 0.480 4.820 4.340 0.001 0.000 0.285 295 L C -0.864 176.180 176.870 0.290 0.000 1.049 295 L CA -0.070 54.882 54.840 0.185 0.000 0.804 295 L CB 1.164 43.266 42.059 0.071 0.000 1.195 295 L HN 0.661 nan 8.230 nan 0.000 0.428 296 I N 5.210 126.009 120.570 0.382 0.000 2.499 296 I HA 0.343 4.513 4.170 0.001 0.000 0.288 296 I C -0.811 175.472 176.117 0.277 0.000 1.048 296 I CA -0.910 60.568 61.300 0.296 0.000 1.062 296 I CB 2.209 40.352 38.000 0.238 0.000 1.238 296 I HN 0.259 nan 8.210 nan 0.000 0.426 297 V N 6.429 126.445 119.914 0.170 0.000 2.530 297 V HA 0.206 4.326 4.120 0.001 0.000 0.282 297 V C 0.977 177.076 176.094 0.007 0.000 1.048 297 V CA -0.314 61.979 62.300 -0.011 0.000 0.997 297 V CB 1.263 33.073 31.823 -0.021 0.000 0.987 297 V HN 0.585 nan 8.190 nan 0.000 0.477 298 I N 2.468 122.978 120.570 -0.100 0.000 2.685 298 I HA 0.220 4.391 4.170 0.001 0.000 0.251 298 I C 0.964 176.977 176.117 -0.175 0.000 1.102 298 I CA 1.016 62.264 61.300 -0.085 0.000 1.442 298 I CB -0.239 37.703 38.000 -0.096 0.000 1.194 298 I HN 1.043 nan 8.210 nan 0.000 0.448 299 E N 0.851 120.848 120.200 -0.338 0.000 2.429 299 E HA 0.482 4.832 4.350 0.001 0.000 0.277 299 E C -0.991 175.259 176.600 -0.582 0.000 1.130 299 E CA -0.891 55.069 56.400 -0.733 0.000 0.875 299 E CB 1.636 31.019 29.700 -0.529 0.000 1.443 299 E HN 0.021 nan 8.360 nan 0.000 0.444 300 M N 0.729 119.920 119.600 -0.681 0.000 2.421 300 M HA 0.581 5.061 4.480 0.001 0.000 0.287 300 M C -2.183 173.962 176.300 -0.259 0.000 1.183 300 M CA -0.477 54.641 55.300 -0.303 0.000 0.916 300 M CB 2.391 34.960 32.600 -0.052 0.000 1.701 300 M HN 0.378 nan 8.290 nan 0.000 0.470 301 N N 3.801 122.418 118.700 -0.139 0.000 2.518 301 N HA 0.387 5.127 4.740 0.001 0.000 0.254 301 N C -2.627 172.855 175.510 -0.046 0.000 0.979 301 N CA -1.204 51.786 53.050 -0.100 0.000 0.930 301 N CB 1.753 40.206 38.487 -0.058 0.000 1.152 301 N HN 0.566 nan 8.380 nan 0.000 0.505 302 P HA -0.000 nan 4.420 nan 0.000 0.262 302 P C -0.436 176.862 177.300 -0.002 0.000 1.647 302 P CA 0.426 63.515 63.100 -0.018 0.000 0.865 302 P CB -0.246 31.438 31.700 -0.026 0.000 1.834 303 R N -2.411 118.099 120.500 0.016 0.000 2.855 303 R HA 0.471 4.812 4.340 0.001 0.000 0.274 303 R C -0.724 175.630 176.300 0.090 0.000 0.997 303 R CA -1.126 54.999 56.100 0.042 0.000 0.856 303 R CB -0.016 30.297 30.300 0.023 0.000 1.378 303 R HN -0.167 nan 8.270 nan 0.000 0.462 304 V N -0.227 119.770 119.914 0.137 0.000 3.051 304 V HA 0.709 4.829 4.120 0.001 0.000 0.306 304 V C 0.174 176.460 176.094 0.320 0.000 1.083 304 V CA 0.441 62.858 62.300 0.195 0.000 1.104 304 V CB 1.071 33.017 31.823 0.204 0.000 1.027 304 V HN 1.026 nan 8.190 nan 0.000 0.483 305 S N 2.928 118.769 115.700 0.236 0.000 2.880 305 S HA 0.481 4.951 4.470 0.001 0.000 0.308 305 S C 0.752 175.339 174.600 -0.022 0.000 1.195 305 S CA -0.484 57.844 58.200 0.213 0.000 0.866 305 S CB 1.504 64.801 63.200 0.161 0.000 1.254 305 S HN 1.088 nan 8.310 nan 0.000 0.571 306 R N 0.342 120.822 120.500 -0.034 0.000 2.115 306 R HA 0.133 4.474 4.340 0.001 0.000 0.226 306 R C 1.596 177.885 176.300 -0.018 0.000 1.100 306 R CA 1.663 57.706 56.100 -0.095 0.000 0.980 306 R CB -0.867 29.391 30.300 -0.070 0.000 0.875 306 R HN 0.418 nan 8.270 nan 0.000 0.445 307 S N 1.075 116.790 115.700 0.026 0.000 2.387 307 S HA -0.108 4.363 4.470 0.001 0.000 0.226 307 S C 2.009 176.641 174.600 0.054 0.000 1.026 307 S CA 1.280 59.503 58.200 0.040 0.000 0.972 307 S CB 0.006 63.233 63.200 0.045 0.000 0.814 307 S HN 0.655 nan 8.310 nan 0.000 0.477 308 S N 2.068 117.809 115.700 0.069 0.000 2.406 308 S HA 0.070 4.540 4.470 0.001 0.000 0.228 308 S C 2.009 176.696 174.600 0.145 0.000 1.020 308 S CA 0.876 59.135 58.200 0.098 0.000 0.965 308 S CB -0.442 62.821 63.200 0.105 0.000 0.798 308 S HN 0.450 nan 8.310 nan 0.000 0.488 309 A N 1.943 124.840 122.820 0.128 0.000 1.873 309 A HA 0.116 4.436 4.320 0.001 0.000 0.215 309 A C 2.243 179.860 177.584 0.054 0.000 1.186 309 A CA 1.526 53.659 52.037 0.161 0.000 0.616 309 A CB -0.985 18.043 19.000 0.047 0.000 0.823 309 A HN 0.562 nan 8.150 nan 0.000 0.442 310 L N -0.047 121.194 121.223 0.029 0.000 2.012 310 L HA -0.092 4.248 4.340 0.001 0.000 0.210 310 L C 2.674 179.575 176.870 0.051 0.000 1.073 310 L CA 2.371 57.225 54.840 0.024 0.000 0.748 310 L CB -0.884 41.188 42.059 0.023 0.000 0.891 310 L HN 0.348 nan 8.230 nan 0.000 0.431 311 A N -1.317 121.546 122.820 0.071 0.000 1.917 311 A HA -0.239 4.082 4.320 0.001 0.000 0.219 311 A C 2.397 180.063 177.584 0.138 0.000 1.182 311 A CA 2.237 54.324 52.037 0.083 0.000 0.633 311 A CB -1.112 17.924 19.000 0.061 0.000 0.819 311 A HN 0.569 nan 8.150 nan 0.000 0.448 312 S N -0.449 115.366 115.700 0.191 0.000 2.359 312 S HA -0.143 4.327 4.470 0.001 0.000 0.224 312 S C 2.073 176.846 174.600 0.288 0.000 1.035 312 S CA 1.766 60.144 58.200 0.297 0.000 1.018 312 S CB -0.242 63.200 63.200 0.402 0.000 0.876 312 S HN 0.487 nan 8.310 nan 0.000 0.448 313 K N 1.836 122.341 120.400 0.175 0.000 2.097 313 K HA 0.190 4.510 4.320 0.001 0.000 0.205 313 K C 2.101 178.784 176.600 0.138 0.000 1.050 313 K CA 1.181 57.560 56.287 0.154 0.000 0.938 313 K CB -0.896 31.615 32.500 0.017 0.000 0.718 313 K HN 0.311 nan 8.250 nan 0.000 0.442 314 A N 0.045 122.910 122.820 0.075 0.000 1.930 314 A HA -0.149 4.171 4.320 0.001 0.000 0.217 314 A C 2.202 179.892 177.584 0.177 0.000 1.175 314 A CA 2.386 54.461 52.037 0.063 0.000 0.627 314 A CB -0.842 18.195 19.000 0.061 0.000 0.815 314 A HN 0.492 nan 8.150 nan 0.000 0.443 315 T N -5.612 109.067 114.554 0.209 0.000 3.039 315 T HA 0.410 4.761 4.350 0.001 0.000 0.250 315 T C 1.470 176.365 174.700 0.324 0.000 1.052 315 T CA 1.215 63.458 62.100 0.238 0.000 1.125 315 T CB 0.200 69.181 68.868 0.188 0.000 0.908 315 T HN 1.719 nan 8.240 nan 0.000 0.473 316 G N 1.005 110.051 108.800 0.411 0.000 2.157 316 G HA2 -0.182 3.778 3.960 0.001 0.000 0.239 316 G HA3 -0.182 3.778 3.960 0.001 0.000 0.239 316 G C -0.226 174.952 174.900 0.464 0.000 0.982 316 G CA -0.064 45.328 45.100 0.486 0.000 0.650 316 G HN 0.615 nan 8.290 nan 0.000 0.527 317 F N 3.574 123.696 119.950 0.288 0.000 2.350 317 F HA 0.583 5.110 4.527 0.001 0.000 0.365 317 F C -1.895 174.054 175.800 0.249 0.000 1.122 317 F CA -3.275 54.870 58.000 0.241 0.000 1.139 317 F CB 1.497 40.573 39.000 0.126 0.000 1.220 317 F HN -0.062 nan 8.300 nan 0.000 0.499 318 P HA 0.120 nan 4.420 nan 0.000 0.256 318 P C 1.207 178.678 177.300 0.285 0.000 1.688 318 P CA 0.348 63.622 63.100 0.290 0.000 1.162 318 P CB -0.103 31.695 31.700 0.162 0.000 1.870 319 I N 1.764 122.584 120.570 0.416 0.000 2.145 319 I HA -0.359 3.811 4.170 0.001 0.000 0.244 319 I C 2.345 178.567 176.117 0.176 0.000 1.075 319 I CA 2.068 63.575 61.300 0.345 0.000 1.332 319 I CB -0.731 37.407 38.000 0.230 0.000 1.033 319 I HN 0.201 nan 8.210 nan 0.000 0.410 320 A N 0.242 123.102 122.820 0.066 0.000 1.933 320 A HA -0.235 4.085 4.320 0.001 0.000 0.218 320 A C 2.339 179.911 177.584 -0.018 0.000 1.175 320 A CA 1.766 53.797 52.037 -0.010 0.000 0.628 320 A CB -0.469 18.456 19.000 -0.124 0.000 0.814 320 A HN 0.314 nan 8.150 nan 0.000 0.444 321 K N -0.636 119.742 120.400 -0.037 0.000 2.057 321 K HA -0.071 4.250 4.320 0.001 0.000 0.207 321 K C 1.842 178.443 176.600 0.002 0.000 1.049 321 K CA 1.473 57.739 56.287 -0.035 0.000 0.931 321 K CB -0.237 32.238 32.500 -0.041 0.000 0.714 321 K HN 0.268 nan 8.250 nan 0.000 0.440 322 V N 0.702 120.644 119.914 0.046 0.000 2.358 322 V HA -0.212 3.908 4.120 0.001 0.000 0.246 322 V C 2.201 178.350 176.094 0.092 0.000 1.047 322 V CA 1.923 64.267 62.300 0.073 0.000 1.035 322 V CB -0.442 31.481 31.823 0.167 0.000 0.658 322 V HN 0.402 nan 8.190 nan 0.000 0.452 323 A N 0.078 122.958 122.820 0.100 0.000 1.902 323 A HA -0.143 4.178 4.320 0.001 0.000 0.217 323 A C 2.453 180.067 177.584 0.050 0.000 1.181 323 A CA 2.111 54.197 52.037 0.080 0.000 0.623 323 A CB -0.851 18.194 19.000 0.075 0.000 0.818 323 A HN 0.564 nan 8.150 nan 0.000 0.443 324 A N 0.203 123.038 122.820 0.026 0.000 1.873 324 A HA -0.244 4.076 4.320 0.001 0.000 0.218 324 A C 2.100 179.691 177.584 0.012 0.000 1.193 324 A CA 1.996 54.034 52.037 0.001 0.000 0.629 324 A CB -0.557 18.433 19.000 -0.017 0.000 0.826 324 A HN 0.545 nan 8.150 nan 0.000 0.447 325 K N -1.028 119.396 120.400 0.041 0.000 2.209 325 K HA -0.080 4.241 4.320 0.001 0.000 0.204 325 K C 1.666 178.384 176.600 0.196 0.000 1.048 325 K CA 1.059 57.420 56.287 0.122 0.000 0.940 325 K CB -0.325 32.189 32.500 0.023 0.000 0.729 325 K HN 0.322 nan 8.250 nan 0.000 0.451 326 L N 0.792 122.091 121.223 0.126 0.000 2.217 326 L HA -0.045 4.296 4.340 0.001 0.000 0.211 326 L C 2.260 179.176 176.870 0.078 0.000 1.107 326 L CA 1.232 56.148 54.840 0.126 0.000 0.783 326 L CB -0.731 41.390 42.059 0.103 0.000 0.919 326 L HN 0.099 nan 8.230 nan 0.000 0.442 327 A N -0.759 122.087 122.820 0.042 0.000 2.067 327 A HA -0.070 4.251 4.320 0.001 0.000 0.219 327 A C 1.585 179.151 177.584 -0.030 0.000 1.158 327 A CA 1.419 53.456 52.037 0.001 0.000 0.661 327 A CB -0.636 18.350 19.000 -0.024 0.000 0.801 327 A HN 0.289 nan 8.150 nan 0.000 0.452 328 V N -4.474 115.423 119.914 -0.029 0.000 3.039 328 V HA 0.630 4.751 4.120 0.001 0.000 0.369 328 V C 1.002 177.059 176.094 -0.062 0.000 1.344 328 V CA 0.368 62.617 62.300 -0.084 0.000 1.270 328 V CB -0.892 30.758 31.823 -0.288 0.000 1.284 328 V HN 1.272 nan 8.190 nan 0.000 0.518 329 G N -0.305 108.475 108.800 -0.033 0.000 2.241 329 G HA2 -0.316 3.645 3.960 0.001 0.000 0.244 329 G HA3 -0.316 3.645 3.960 0.001 0.000 0.244 329 G C -0.055 174.800 174.900 -0.074 0.000 0.998 329 G CA 0.276 45.333 45.100 -0.071 0.000 0.621 329 G HN 0.601 nan 8.290 nan 0.000 0.519 330 Y N 2.391 122.717 120.300 0.044 0.000 2.457 330 Y HA 0.434 4.985 4.550 0.001 0.000 0.341 330 Y C 1.565 177.492 175.900 0.046 0.000 1.240 330 Y CA 0.905 59.033 58.100 0.048 0.000 1.437 330 Y CB 0.707 39.198 38.460 0.051 0.000 1.328 330 Y HN 0.309 nan 8.280 nan 0.000 0.588 331 T N -0.893 113.805 114.554 0.241 0.000 2.940 331 T HA 0.396 4.746 4.350 0.001 0.000 0.288 331 T C 0.896 175.687 174.700 0.153 0.000 1.033 331 T CA -0.930 61.263 62.100 0.154 0.000 1.033 331 T CB 1.053 69.985 68.868 0.108 0.000 1.079 331 T HN 0.607 nan 8.240 nan 0.000 0.496 332 L N 0.937 122.240 121.223 0.133 0.000 2.079 332 L HA -0.106 4.234 4.340 0.001 0.000 0.210 332 L C 2.571 179.514 176.870 0.122 0.000 1.081 332 L CA 1.682 56.606 54.840 0.141 0.000 0.752 332 L CB -0.675 41.483 42.059 0.165 0.000 0.896 332 L HN 0.817 nan 8.230 nan 0.000 0.433 333 D N -0.106 120.357 120.400 0.106 0.000 2.263 333 D HA -0.231 4.409 4.640 0.001 0.000 0.208 333 D C 1.537 177.877 176.300 0.067 0.000 0.971 333 D CA 1.215 55.264 54.000 0.081 0.000 0.867 333 D CB -0.285 40.557 40.800 0.070 0.000 0.929 333 D HN 0.477 nan 8.370 nan 0.000 0.492 334 E N -0.240 120.014 120.200 0.090 0.000 2.385 334 E HA 0.163 4.513 4.350 0.001 0.000 0.194 334 E C 0.535 177.152 176.600 0.028 0.000 1.013 334 E CA -0.111 56.342 56.400 0.089 0.000 0.866 334 E CB 0.371 30.186 29.700 0.190 0.000 0.832 334 E HN 0.303 nan 8.360 nan 0.000 0.500 335 L N 1.302 122.529 121.223 0.008 0.000 2.399 335 L HA 0.261 4.601 4.340 0.001 0.000 0.266 335 L C 0.234 177.072 176.870 -0.053 0.000 1.114 335 L CA -0.597 54.206 54.840 -0.062 0.000 0.804 335 L CB 0.635 42.662 42.059 -0.053 0.000 1.146 335 L HN 0.009 nan 8.230 nan 0.000 0.451 336 M N 1.684 121.233 119.600 -0.086 0.000 2.528 336 M HA 0.252 4.733 4.480 0.001 0.000 0.318 336 M C -0.348 175.883 176.300 -0.116 0.000 1.195 336 M CA -0.790 54.451 55.300 -0.097 0.000 1.000 336 M CB 1.095 33.638 32.600 -0.095 0.000 1.615 336 M HN 0.394 nan 8.290 nan 0.000 0.469 337 N N 1.430 120.042 118.700 -0.146 0.000 2.408 337 N HA 0.085 4.825 4.740 0.001 0.000 0.257 337 N C 0.245 175.675 175.510 -0.133 0.000 1.064 337 N CA 0.143 53.100 53.050 -0.154 0.000 0.952 337 N CB 0.618 38.972 38.487 -0.222 0.000 1.093 337 N HN 0.369 nan 8.380 nan 0.000 0.490 338 D N 2.861 123.198 120.400 -0.106 0.000 2.103 338 D HA -0.215 4.426 4.640 0.001 0.000 0.190 338 D C 1.782 178.002 176.300 -0.134 0.000 0.997 338 D CA 1.642 55.595 54.000 -0.079 0.000 0.833 338 D CB -0.274 40.533 40.800 0.012 0.000 0.961 338 D HN 0.809 nan 8.370 nan 0.000 0.447 339 I N -0.248 120.211 120.570 -0.184 0.000 2.567 339 I HA -0.123 4.047 4.170 0.001 0.000 0.257 339 I C 1.027 177.094 176.117 -0.083 0.000 1.184 339 I CA 1.405 62.597 61.300 -0.181 0.000 1.451 339 I CB -0.625 37.229 38.000 -0.243 0.000 1.089 339 I HN -0.113 nan 8.210 nan 0.000 0.441 340 T N -1.367 113.139 114.554 -0.081 0.000 3.284 340 T HA 0.506 4.857 4.350 0.001 0.000 0.249 340 T C 1.339 175.991 174.700 -0.080 0.000 0.944 340 T CA 0.039 62.100 62.100 -0.066 0.000 0.919 340 T CB -0.238 68.551 68.868 -0.132 0.000 1.089 340 T HN 0.680 nan 8.240 nan 0.000 0.576 341 G N 0.963 109.722 108.800 -0.068 0.000 2.180 341 G HA2 -0.048 3.912 3.960 0.001 0.000 0.263 341 G HA3 -0.048 3.912 3.960 0.001 0.000 0.263 341 G C 1.104 175.962 174.900 -0.070 0.000 0.989 341 G CA 0.253 45.319 45.100 -0.056 0.000 0.692 341 G HN 1.867 nan 8.290 nan 0.000 0.526 342 G N -1.364 107.377 108.800 -0.098 0.000 2.153 342 G HA2 -0.325 3.636 3.960 0.001 0.000 0.252 342 G HA3 -0.325 3.636 3.960 0.001 0.000 0.252 342 G C 0.852 175.679 174.900 -0.122 0.000 0.994 342 G CA 1.257 46.294 45.100 -0.106 0.000 0.698 342 G HN 0.956 nan 8.290 nan 0.000 0.521 343 R N 0.084 120.498 120.500 -0.143 0.000 2.275 343 R HA 0.249 4.590 4.340 0.001 0.000 0.199 343 R C 1.526 177.674 176.300 -0.253 0.000 0.989 343 R CA 1.368 57.375 56.100 -0.154 0.000 1.016 343 R CB 0.222 30.456 30.300 -0.111 0.000 0.918 343 R HN 0.630 nan 8.270 nan 0.000 0.473 344 T N -2.320 112.033 114.554 -0.334 0.000 2.907 344 T HA 0.545 4.895 4.350 0.001 0.000 0.292 344 T C -2.834 171.669 174.700 -0.327 0.000 1.043 344 T CA -2.643 59.184 62.100 -0.455 0.000 1.003 344 T CB 2.701 71.080 68.868 -0.815 0.000 1.084 344 T HN -0.278 nan 8.240 nan 0.000 0.483 345 P HA 0.363 nan 4.420 nan 0.000 0.274 345 P C 0.440 177.735 177.300 -0.009 0.000 1.256 345 P CA -0.524 62.513 63.100 -0.106 0.000 0.795 345 P CB 0.380 32.063 31.700 -0.029 0.000 1.038 346 A N 0.356 123.242 122.820 0.110 0.000 2.123 346 A HA 0.015 4.336 4.320 0.001 0.000 0.214 346 A C 1.082 178.962 177.584 0.494 0.000 1.152 346 A CA 0.612 52.805 52.037 0.260 0.000 0.728 346 A CB -1.171 17.880 19.000 0.084 0.000 0.814 346 A HN 0.563 nan 8.150 nan 0.000 0.464 347 S N 0.925 116.829 115.700 0.341 0.000 3.919 347 S HA 0.513 4.984 4.470 0.001 0.000 0.245 347 S C -0.357 174.493 174.600 0.418 0.000 1.344 347 S CA -0.440 57.941 58.200 0.302 0.000 0.896 347 S CB -1.320 61.986 63.200 0.177 0.000 1.557 347 S HN 0.906 nan 8.310 nan 0.000 0.468 348 F N -1.855 118.189 119.950 0.156 0.000 2.807 348 F HA 0.646 5.174 4.527 0.001 0.000 0.316 348 F C -1.486 174.393 175.800 0.132 0.000 1.162 348 F CA -1.438 56.637 58.000 0.126 0.000 0.910 348 F CB 0.674 39.741 39.000 0.111 0.000 1.314 348 F HN 0.196 nan 8.300 nan 0.000 0.454 349 E N 2.645 122.724 120.200 -0.202 0.000 2.133 349 E HA 0.446 4.796 4.350 0.001 0.000 0.274 349 E C -2.616 173.792 176.600 -0.319 0.000 0.930 349 E CA -2.033 54.157 56.400 -0.350 0.000 0.770 349 E CB 1.594 31.228 29.700 -0.110 0.000 1.104 349 E HN 0.311 nan 8.360 nan 0.000 0.403 350 P HA -0.021 nan 4.420 nan 0.000 0.269 350 P C -0.803 176.507 177.300 0.017 0.000 1.209 350 P CA -0.075 62.972 63.100 -0.088 0.000 0.776 350 P CB 0.778 32.445 31.700 -0.055 0.000 0.876 351 S N 1.741 117.499 115.700 0.096 0.000 2.594 351 S HA 0.702 5.173 4.470 0.001 0.000 0.296 351 S C -0.530 174.040 174.600 -0.049 0.000 1.124 351 S CA -0.807 57.399 58.200 0.010 0.000 1.011 351 S CB -0.072 63.149 63.200 0.035 0.000 1.016 351 S HN 0.360 nan 8.310 nan 0.000 0.485 352 I N 1.848 122.301 120.570 -0.195 0.000 2.603 352 I HA 0.680 4.851 4.170 0.001 0.000 0.300 352 I C -0.631 175.203 176.117 -0.471 0.000 1.017 352 I CA -0.877 60.147 61.300 -0.460 0.000 1.098 352 I CB 2.090 39.607 38.000 -0.806 0.000 1.279 352 I HN 0.521 nan 8.210 nan 0.000 0.437 353 D N 4.819 124.919 120.400 -0.500 0.000 3.058 353 D HA 0.277 4.918 4.640 0.001 0.000 0.272 353 D C -0.635 175.643 176.300 -0.037 0.000 1.350 353 D CA -0.146 53.749 54.000 -0.175 0.000 0.863 353 D CB -0.279 40.535 40.800 0.023 0.000 1.064 353 D HN 0.720 nan 8.370 nan 0.000 0.488 354 Y N -3.444 116.849 120.300 -0.011 0.000 2.895 354 Y HA 0.598 5.149 4.550 0.001 0.000 0.339 354 Y C -1.662 174.203 175.900 -0.059 0.000 1.363 354 Y CA -1.671 56.398 58.100 -0.052 0.000 1.085 354 Y CB 0.556 38.883 38.460 -0.223 0.000 1.500 354 Y HN -0.205 nan 8.280 nan 0.000 0.442 355 V N 1.909 121.957 119.914 0.223 0.000 2.495 355 V HA 0.661 4.782 4.120 0.001 0.000 0.298 355 V C -0.677 175.505 176.094 0.148 0.000 1.031 355 V CA -0.883 61.515 62.300 0.163 0.000 0.871 355 V CB 1.446 33.377 31.823 0.180 0.000 0.988 355 V HN 0.656 nan 8.190 nan 0.000 0.432 356 V N 3.665 123.654 119.914 0.125 0.000 2.435 356 V HA 0.561 4.681 4.120 0.001 0.000 0.290 356 V C 0.195 176.323 176.094 0.057 0.000 1.030 356 V CA -0.198 62.135 62.300 0.055 0.000 0.881 356 V CB 1.940 33.787 31.823 0.040 0.000 0.983 356 V HN 0.967 nan 8.190 nan 0.000 0.445 357 T N 5.245 119.813 114.554 0.024 0.000 2.824 357 T HA 0.441 4.791 4.350 0.001 0.000 0.282 357 T C -0.554 174.144 174.700 -0.003 0.000 0.993 357 T CA -0.665 61.445 62.100 0.017 0.000 0.967 357 T CB 1.458 70.327 68.868 0.001 0.000 0.960 357 T HN 0.666 nan 8.240 nan 0.000 0.441 358 K N 4.114 124.505 120.400 -0.016 0.000 2.292 358 K HA 0.596 4.917 4.320 0.001 0.000 0.257 358 K C -1.440 175.127 176.600 -0.054 0.000 0.940 358 K CA -0.673 55.605 56.287 -0.015 0.000 0.811 358 K CB 1.158 33.660 32.500 0.003 0.000 1.120 358 K HN 0.607 nan 8.250 nan 0.000 0.428 359 I N 5.809 126.346 120.570 -0.055 0.000 2.466 359 I HA 0.329 4.500 4.170 0.001 0.000 0.289 359 I C -2.245 173.837 176.117 -0.057 0.000 1.026 359 I CA -2.652 58.604 61.300 -0.074 0.000 1.078 359 I CB 2.242 40.181 38.000 -0.103 0.000 1.249 359 I HN 0.475 nan 8.210 nan 0.000 0.429 360 P HA 0.207 nan 4.420 nan 0.000 0.274 360 P C -0.963 176.172 177.300 -0.276 0.000 1.237 360 P CA -0.565 62.389 63.100 -0.243 0.000 0.793 360 P CB 0.821 32.268 31.700 -0.421 0.000 0.977 361 R N 1.757 122.025 120.500 -0.387 0.000 2.343 361 R HA 0.589 4.930 4.340 0.001 0.000 0.320 361 R C -1.218 174.851 176.300 -0.385 0.000 0.956 361 R CA -0.487 55.484 56.100 -0.215 0.000 0.836 361 R CB -0.323 29.910 30.300 -0.111 0.000 1.151 361 R HN 0.285 nan 8.270 nan 0.000 0.450 362 F N 1.614 121.564 119.950 -0.000 0.000 2.585 362 F HA 0.483 5.011 4.527 0.001 0.000 0.350 362 F C 0.806 176.532 175.800 -0.123 0.000 1.074 362 F CA -0.745 57.174 58.000 -0.134 0.000 1.032 362 F CB 1.742 40.642 39.000 -0.167 0.000 1.330 362 F HN 0.541 nan 8.300 nan 0.000 0.495 363 N N -0.388 118.296 118.700 -0.027 0.000 2.577 363 N HA 0.193 4.933 4.740 0.001 0.000 0.285 363 N C 0.216 175.768 175.510 0.071 0.000 1.658 363 N CA 0.013 53.086 53.050 0.039 0.000 0.865 363 N CB 0.166 38.701 38.487 0.079 0.000 1.419 363 N HN 0.366 nan 8.380 nan 0.000 0.495 364 F N 1.624 121.672 119.950 0.163 0.000 2.192 364 F HA -0.218 4.309 4.527 0.001 0.000 0.301 364 F C 2.742 178.541 175.800 -0.001 0.000 1.079 364 F CA 1.045 59.098 58.000 0.089 0.000 1.303 364 F CB -0.034 38.984 39.000 0.030 0.000 1.024 364 F HN 0.347 nan 8.300 nan 0.000 0.494 365 E N 1.448 121.723 120.200 0.125 0.000 2.401 365 E HA -0.220 4.131 4.350 0.001 0.000 0.199 365 E C 1.176 177.686 176.600 -0.149 0.000 1.023 365 E CA 1.220 57.618 56.400 -0.003 0.000 0.859 365 E CB -0.597 29.093 29.700 -0.016 0.000 0.780 365 E HN 0.445 nan 8.360 nan 0.000 0.523 366 K N -0.146 120.046 120.400 -0.347 0.000 2.374 366 K HA 0.157 4.477 4.320 0.001 0.000 0.196 366 K C -0.399 175.543 176.600 -1.096 0.000 1.023 366 K CA -0.055 55.787 56.287 -0.743 0.000 1.103 366 K CB 0.306 32.239 32.500 -0.946 0.000 0.848 366 K HN 0.017 nan 8.250 nan 0.000 0.528 367 F N 0.490 120.380 119.950 -0.101 0.000 2.443 367 F HA 0.345 4.872 4.527 0.001 0.000 0.369 367 F C 1.123 176.901 175.800 -0.037 0.000 1.090 367 F CA -1.075 56.860 58.000 -0.108 0.000 1.129 367 F CB 0.730 39.491 39.000 -0.399 0.000 1.367 367 F HN -0.116 nan 8.300 nan 0.000 0.465 368 A N 2.713 125.591 122.820 0.096 0.000 2.067 368 A HA -0.198 4.122 4.320 0.001 0.000 0.218 368 A C 2.261 179.894 177.584 0.083 0.000 1.395 368 A CA 2.147 54.225 52.037 0.069 0.000 0.821 368 A CB -1.302 17.737 19.000 0.065 0.000 0.822 368 A HN 0.863 nan 8.150 nan 0.000 0.502 369 G N -0.950 107.910 108.800 0.101 0.000 3.327 369 G HA2 0.456 4.417 3.960 0.001 0.000 0.240 369 G HA3 0.456 4.417 3.960 0.001 0.000 0.240 369 G C 0.394 175.359 174.900 0.110 0.000 1.222 369 G CA 0.671 45.821 45.100 0.084 0.000 0.871 369 G HN 0.952 nan 8.290 nan 0.000 0.525 370 A N 0.682 123.590 122.820 0.146 0.000 2.425 370 A HA 0.377 4.698 4.320 0.001 0.000 0.249 370 A C 0.605 178.257 177.584 0.113 0.000 1.084 370 A CA -0.551 51.598 52.037 0.187 0.000 0.781 370 A CB 0.338 19.434 19.000 0.160 0.000 1.019 370 A HN 0.318 nan 8.150 nan 0.000 0.490 371 N N 1.386 120.167 118.700 0.136 0.000 2.475 371 N HA 0.025 4.765 4.740 0.001 0.000 0.267 371 N C -0.497 174.988 175.510 -0.043 0.000 1.169 371 N CA 0.200 53.273 53.050 0.039 0.000 0.947 371 N CB 0.964 39.489 38.487 0.063 0.000 1.061 371 N HN 0.598 nan 8.380 nan 0.000 0.466 372 D N 1.767 121.988 120.400 -0.297 0.000 2.463 372 D HA 0.121 4.761 4.640 0.001 0.000 0.224 372 D C -0.147 175.728 176.300 -0.709 0.000 1.174 372 D CA -0.271 53.197 54.000 -0.887 0.000 0.829 372 D CB 0.185 40.355 40.800 -1.049 0.000 0.993 372 D HN 0.169 nan 8.370 nan 0.000 0.497 373 R N 0.616 120.942 120.500 -0.290 0.000 2.457 373 R HA 0.448 4.788 4.340 0.001 0.000 0.284 373 R C 0.275 176.550 176.300 -0.042 0.000 1.024 373 R CA -0.712 55.289 56.100 -0.166 0.000 1.025 373 R CB 1.149 31.401 30.300 -0.081 0.000 1.063 373 R HN 0.188 nan 8.270 nan 0.000 0.493 374 L N 0.825 122.046 121.223 -0.003 0.000 2.371 374 L HA 0.363 4.703 4.340 0.001 0.000 0.272 374 L C 1.161 178.102 176.870 0.118 0.000 1.124 374 L CA 0.061 54.963 54.840 0.103 0.000 0.816 374 L CB 0.966 43.092 42.059 0.112 0.000 1.129 374 L HN 0.612 nan 8.230 nan 0.000 0.448 375 T N -1.395 113.249 114.554 0.150 0.000 2.598 375 T HA 0.168 4.518 4.350 0.001 0.000 0.289 375 T C 0.932 175.715 174.700 0.139 0.000 1.056 375 T CA 0.346 62.522 62.100 0.126 0.000 1.088 375 T CB 1.186 70.117 68.868 0.105 0.000 1.519 375 T HN 0.749 nan 8.240 nan 0.000 0.488 376 T N -0.464 114.156 114.554 0.109 0.000 3.035 376 T HA 0.112 4.463 4.350 0.001 0.000 0.268 376 T C 0.779 175.561 174.700 0.136 0.000 1.109 376 T CA 0.638 62.821 62.100 0.137 0.000 1.119 376 T CB -0.143 68.772 68.868 0.079 0.000 0.900 376 T HN 0.512 nan 8.240 nan 0.000 0.503 377 Q N 1.233 121.064 119.800 0.052 0.000 2.331 377 Q HA 0.364 4.704 4.340 0.001 0.000 0.257 377 Q C -0.523 175.439 176.000 -0.063 0.000 0.957 377 Q CA -0.480 55.297 55.803 -0.042 0.000 0.923 377 Q CB 0.756 29.460 28.738 -0.056 0.000 1.212 377 Q HN 0.442 nan 8.270 nan 0.000 0.443 378 M N 3.698 123.167 119.600 -0.218 0.000 2.245 378 M HA -0.078 4.403 4.480 0.001 0.000 0.335 378 M C 0.499 176.756 176.300 -0.071 0.000 1.155 378 M CA 1.367 56.571 55.300 -0.159 0.000 1.055 378 M CB 0.428 32.848 32.600 -0.300 0.000 1.670 378 M HN 0.592 nan 8.290 nan 0.000 0.447 379 K N -0.028 120.429 120.400 0.094 0.000 2.558 379 K HA 0.106 4.427 4.320 0.001 0.000 0.215 379 K C 0.015 176.698 176.600 0.139 0.000 1.298 379 K CA -0.097 56.291 56.287 0.168 0.000 1.008 379 K CB 0.859 33.657 32.500 0.498 0.000 1.073 379 K HN 0.775 nan 8.250 nan 0.000 0.606 380 S N 0.443 116.123 115.700 -0.034 0.000 2.592 380 S HA 0.123 4.594 4.470 0.001 0.000 0.271 380 S C 1.125 175.585 174.600 -0.233 0.000 1.326 380 S CA -0.660 57.279 58.200 -0.434 0.000 1.024 380 S CB 1.538 64.200 63.200 -0.896 0.000 0.921 380 S HN 0.050 nan 8.310 nan 0.000 0.527 381 V N -1.353 118.426 119.914 -0.225 0.000 3.578 381 V HA 0.667 4.787 4.120 0.001 0.000 0.290 381 V C 0.762 176.787 176.094 -0.115 0.000 1.376 381 V CA 0.610 62.841 62.300 -0.115 0.000 1.083 381 V CB -0.774 31.023 31.823 -0.043 0.000 0.911 381 V HN 1.202 nan 8.190 nan 0.000 0.433 382 G N 0.402 109.100 108.800 -0.170 0.000 2.490 382 G HA2 0.621 4.581 3.960 0.001 0.000 0.308 382 G HA3 0.621 4.581 3.960 0.001 0.000 0.308 382 G C -1.658 173.154 174.900 -0.146 0.000 1.286 382 G CA 0.024 45.051 45.100 -0.122 0.000 0.825 382 G HN 0.766 nan 8.290 nan 0.000 0.479 383 E N -2.010 118.134 120.200 -0.093 0.000 2.389 383 E HA 0.524 4.875 4.350 0.001 0.000 0.281 383 E C -2.234 174.349 176.600 -0.027 0.000 1.072 383 E CA -0.864 55.492 56.400 -0.074 0.000 0.845 383 E CB 1.934 31.592 29.700 -0.069 0.000 1.239 383 E HN 0.872 nan 8.360 nan 0.000 0.434 384 V N 2.659 122.568 119.914 -0.008 0.000 2.815 384 V HA 0.746 4.866 4.120 0.001 0.000 0.314 384 V C -0.778 175.360 176.094 0.074 0.000 1.064 384 V CA -0.731 61.588 62.300 0.032 0.000 0.952 384 V CB 1.920 33.755 31.823 0.021 0.000 1.020 384 V HN 0.819 nan 8.190 nan 0.000 0.439 385 M N 4.881 124.590 119.600 0.182 0.000 2.518 385 M HA 0.873 5.354 4.480 0.001 0.000 0.300 385 M C -1.230 175.250 176.300 0.299 0.000 1.175 385 M CA -0.435 54.998 55.300 0.222 0.000 0.890 385 M CB 2.095 34.853 32.600 0.262 0.000 1.710 385 M HN 0.836 nan 8.290 nan 0.000 0.453 386 A N 3.860 126.757 122.820 0.129 0.000 2.587 386 A HA 0.879 5.199 4.320 0.001 0.000 0.293 386 A C -1.809 175.755 177.584 -0.034 0.000 1.087 386 A CA -0.718 51.393 52.037 0.123 0.000 0.692 386 A CB 1.602 20.654 19.000 0.087 0.000 1.291 386 A HN 0.844 nan 8.150 nan 0.000 0.407 387 I N 0.335 120.853 120.570 -0.086 0.000 2.608 387 I HA 0.705 4.876 4.170 0.001 0.000 0.295 387 I C 0.412 176.404 176.117 -0.209 0.000 1.049 387 I CA -0.502 60.607 61.300 -0.318 0.000 1.063 387 I CB 2.643 40.147 38.000 -0.827 0.000 1.248 387 I HN 0.880 nan 8.210 nan 0.000 0.424 388 G N 3.309 112.017 108.800 -0.152 0.000 2.704 388 G HA2 0.369 4.329 3.960 0.001 0.000 0.293 388 G HA3 0.369 4.329 3.960 0.001 0.000 0.293 388 G C -0.030 174.933 174.900 0.105 0.000 1.421 388 G CA -0.570 44.557 45.100 0.045 0.000 0.870 388 G HN 0.450 nan 8.290 nan 0.000 0.492 389 R N -0.672 119.955 120.500 0.213 0.000 2.280 389 R HA 0.034 4.374 4.340 0.001 0.000 0.207 389 R C 0.951 177.352 176.300 0.168 0.000 1.043 389 R CA 1.282 57.517 56.100 0.226 0.000 1.006 389 R CB -0.224 30.214 30.300 0.230 0.000 0.885 389 R HN 0.715 nan 8.270 nan 0.000 0.467 390 T N -4.485 110.156 114.554 0.145 0.000 2.896 390 T HA 0.188 4.539 4.350 0.001 0.000 0.297 390 T C 0.674 175.455 174.700 0.135 0.000 1.108 390 T CA -0.909 61.271 62.100 0.133 0.000 1.004 390 T CB 2.365 71.293 68.868 0.101 0.000 1.159 390 T HN -0.188 nan 8.240 nan 0.000 0.499 391 Q N 0.745 120.646 119.800 0.169 0.000 2.096 391 Q HA -0.151 4.190 4.340 0.001 0.000 0.204 391 Q C 2.192 178.263 176.000 0.117 0.000 0.982 391 Q CA 2.152 58.075 55.803 0.200 0.000 0.850 391 Q CB -0.489 28.422 28.738 0.287 0.000 0.901 391 Q HN 0.814 nan 8.270 nan 0.000 0.422 392 Q N -0.212 119.619 119.800 0.051 0.000 2.050 392 Q HA -0.215 4.125 4.340 0.001 0.000 0.202 392 Q C 2.030 178.032 176.000 0.004 0.000 0.980 392 Q CA 1.703 57.513 55.803 0.012 0.000 0.840 392 Q CB -0.165 28.552 28.738 -0.035 0.000 0.898 392 Q HN 0.617 nan 8.270 nan 0.000 0.424 393 E N -0.231 119.985 120.200 0.028 0.000 2.106 393 E HA -0.192 4.158 4.350 0.001 0.000 0.192 393 E C 2.001 178.629 176.600 0.046 0.000 0.984 393 E CA 1.237 57.659 56.400 0.036 0.000 0.806 393 E CB -0.065 29.687 29.700 0.088 0.000 0.750 393 E HN 0.147 nan 8.360 nan 0.000 0.458 394 S N -0.039 115.697 115.700 0.061 0.000 2.355 394 S HA -0.150 4.321 4.470 0.001 0.000 0.222 394 S C 1.957 176.567 174.600 0.018 0.000 1.031 394 S CA 1.115 59.343 58.200 0.047 0.000 0.993 394 S CB -0.359 62.883 63.200 0.070 0.000 0.859 394 S HN 0.384 nan 8.310 nan 0.000 0.453 395 L N 1.976 123.209 121.223 0.017 0.000 2.017 395 L HA -0.076 4.265 4.340 0.001 0.000 0.208 395 L C 2.436 179.241 176.870 -0.107 0.000 1.073 395 L CA 1.988 56.801 54.840 -0.046 0.000 0.745 395 L CB -0.972 41.092 42.059 0.008 0.000 0.894 395 L HN 0.361 nan 8.230 nan 0.000 0.432 396 Q N -0.508 119.244 119.800 -0.079 0.000 2.170 396 Q HA -0.233 4.107 4.340 0.001 0.000 0.203 396 Q C 2.262 178.212 176.000 -0.082 0.000 0.976 396 Q CA 1.669 57.394 55.803 -0.131 0.000 0.858 396 Q CB -0.122 28.525 28.738 -0.152 0.000 0.907 396 Q HN 0.579 nan 8.270 nan 0.000 0.433 397 K N 0.421 120.805 120.400 -0.026 0.000 2.057 397 K HA -0.077 4.243 4.320 0.001 0.000 0.206 397 K C 2.130 178.736 176.600 0.010 0.000 1.050 397 K CA 0.967 57.266 56.287 0.020 0.000 0.935 397 K CB -0.122 32.419 32.500 0.069 0.000 0.715 397 K HN 0.116 nan 8.250 nan 0.000 0.439 398 A N 1.481 124.293 122.820 -0.013 0.000 1.883 398 A HA -0.185 4.136 4.320 0.001 0.000 0.217 398 A C 2.103 179.659 177.584 -0.045 0.000 1.186 398 A CA 1.392 53.418 52.037 -0.018 0.000 0.624 398 A CB -0.758 18.213 19.000 -0.049 0.000 0.822 398 A HN 0.184 nan 8.150 nan 0.000 0.444 399 L N -0.467 120.688 121.223 -0.114 0.000 2.042 399 L HA -0.243 4.097 4.340 0.001 0.000 0.210 399 L C 2.761 179.628 176.870 -0.004 0.000 1.076 399 L CA 2.020 56.792 54.840 -0.114 0.000 0.749 399 L CB -0.453 41.424 42.059 -0.303 0.000 0.893 399 L HN 0.630 nan 8.230 nan 0.000 0.432 400 R N -0.154 120.340 120.500 -0.011 0.000 2.299 400 R HA 0.022 4.362 4.340 0.001 0.000 0.197 400 R C 1.649 177.965 176.300 0.026 0.000 0.971 400 R CA 0.939 57.052 56.100 0.021 0.000 1.030 400 R CB -0.352 29.963 30.300 0.025 0.000 0.932 400 R HN 0.213 nan 8.270 nan 0.000 0.477 401 G N 0.614 109.429 108.800 0.025 0.000 3.126 401 G HA2 -0.026 3.934 3.960 0.001 0.000 0.224 401 G HA3 -0.026 3.934 3.960 0.001 0.000 0.224 401 G C 0.971 175.882 174.900 0.018 0.000 1.142 401 G CA -0.386 44.729 45.100 0.024 0.000 0.759 401 G HN 0.214 nan 8.290 nan 0.000 0.550 402 L N 0.583 121.825 121.223 0.032 0.000 2.456 402 L HA 0.111 4.451 4.340 0.001 0.000 0.224 402 L C 1.132 178.025 176.870 0.038 0.000 1.148 402 L CA 0.892 55.760 54.840 0.046 0.000 0.825 402 L CB -0.212 41.907 42.059 0.100 0.000 0.937 402 L HN 0.219 nan 8.230 nan 0.000 0.450 403 E N -1.225 118.987 120.200 0.020 0.000 2.586 403 E HA -0.206 4.145 4.350 0.001 0.000 0.259 403 E C 1.012 177.612 176.600 -0.001 0.000 1.107 403 E CA 0.964 57.364 56.400 -0.001 0.000 0.754 403 E CB -2.247 27.442 29.700 -0.020 0.000 1.335 403 E HN 0.525 nan 8.360 nan 0.000 0.411 404 V N -4.448 115.473 119.914 0.011 0.000 3.578 404 V HA 0.564 4.684 4.120 0.001 0.000 0.290 404 V C 1.382 177.429 176.094 -0.079 0.000 1.376 404 V CA 1.039 63.325 62.300 -0.023 0.000 1.083 404 V CB 0.878 32.697 31.823 -0.007 0.000 0.911 404 V HN 0.540 nan 8.190 nan 0.000 0.433 405 G N 0.049 108.815 108.800 -0.056 0.000 2.163 405 G HA2 -0.000 3.960 3.960 0.001 0.000 0.213 405 G HA3 -0.000 3.960 3.960 0.001 0.000 0.213 405 G C 0.343 175.201 174.900 -0.071 0.000 0.991 405 G CA 0.109 45.167 45.100 -0.070 0.000 0.653 405 G HN 1.505 nan 8.290 nan 0.000 0.518 406 A N 0.155 122.949 122.820 -0.042 0.000 2.351 406 A HA 0.777 5.098 4.320 0.001 0.000 0.257 406 A C 1.347 178.958 177.584 0.045 0.000 1.087 406 A CA 1.241 53.289 52.037 0.017 0.000 0.798 406 A CB 0.573 19.698 19.000 0.209 0.000 1.033 406 A HN 1.510 nan 8.150 nan 0.000 0.488 407 T N -1.828 112.764 114.554 0.063 0.000 3.091 407 T HA 0.557 4.908 4.350 0.001 0.000 0.277 407 T C 0.751 175.495 174.700 0.075 0.000 0.996 407 T CA 0.894 63.030 62.100 0.060 0.000 0.897 407 T CB -0.192 68.712 68.868 0.060 0.000 1.109 407 T HN 2.302 nan 8.240 nan 0.000 0.534 408 G N 1.511 110.357 108.800 0.076 0.000 2.384 408 G HA2 0.201 4.161 3.960 0.001 0.000 0.150 408 G HA3 0.201 4.161 3.960 0.001 0.000 0.150 408 G C -1.379 173.542 174.900 0.034 0.000 1.269 408 G CA -0.840 44.259 45.100 -0.002 0.000 1.094 408 G HN 0.131 nan 8.290 nan 0.000 0.467 409 F N 3.681 123.738 119.950 0.178 0.000 2.666 409 F HA 0.280 4.807 4.527 0.001 0.000 0.362 409 F C 0.627 176.599 175.800 0.287 0.000 1.190 409 F CA -0.430 57.716 58.000 0.244 0.000 1.328 409 F CB -0.117 38.962 39.000 0.131 0.000 1.682 409 F HN 0.075 nan 8.300 nan 0.000 0.623 410 D N 3.466 124.090 120.400 0.374 0.000 2.455 410 D HA 0.048 4.689 4.640 0.001 0.000 0.241 410 D C -2.133 174.239 176.300 0.121 0.000 1.138 410 D CA -0.857 53.240 54.000 0.161 0.000 0.877 410 D CB 0.799 41.600 40.800 0.001 0.000 1.187 410 D HN 0.118 nan 8.370 nan 0.000 0.451 411 P HA 0.126 nan 4.420 nan 0.000 0.275 411 P C 0.172 177.421 177.300 -0.085 0.000 1.227 411 P CA -0.371 62.744 63.100 0.025 0.000 0.781 411 P CB 1.211 32.935 31.700 0.039 0.000 0.906 412 K N 1.409 121.718 120.400 -0.152 0.000 2.244 412 K HA 0.121 4.441 4.320 0.001 0.000 0.200 412 K C 0.539 177.106 176.600 -0.056 0.000 1.052 412 K CA 0.729 56.879 56.287 -0.229 0.000 0.980 412 K CB -0.115 31.985 32.500 -0.667 0.000 0.838 412 K HN 0.476 nan 8.250 nan 0.000 0.481 413 V N -2.156 117.765 119.914 0.012 0.000 3.046 413 V HA 0.610 4.730 4.120 0.001 0.000 0.316 413 V C -0.044 176.080 176.094 0.050 0.000 1.104 413 V CA -1.153 61.191 62.300 0.073 0.000 1.006 413 V CB 1.666 33.581 31.823 0.153 0.000 1.058 413 V HN -0.011 nan 8.190 nan 0.000 0.440 414 S N 0.590 116.317 115.700 0.046 0.000 2.610 414 S HA 0.516 4.987 4.470 0.001 0.000 0.273 414 S C 0.798 175.424 174.600 0.043 0.000 1.274 414 S CA -0.649 57.574 58.200 0.037 0.000 1.023 414 S CB 0.926 64.141 63.200 0.026 0.000 0.962 414 S HN 0.743 nan 8.310 nan 0.000 0.523 415 L N 1.806 123.053 121.223 0.040 0.000 2.093 415 L HA -0.012 4.328 4.340 0.001 0.000 0.208 415 L C 1.126 178.017 176.870 0.034 0.000 1.085 415 L CA 1.319 56.184 54.840 0.041 0.000 0.755 415 L CB -0.485 41.599 42.059 0.040 0.000 0.904 415 L HN 0.755 nan 8.230 nan 0.000 0.435 416 D N -2.015 118.402 120.400 0.028 0.000 2.538 416 D HA 0.015 4.655 4.640 0.001 0.000 0.234 416 D C -0.074 176.238 176.300 0.021 0.000 1.191 416 D CA -0.250 53.764 54.000 0.023 0.000 0.828 416 D CB -0.261 40.551 40.800 0.019 0.000 0.981 416 D HN 0.044 nan 8.370 nan 0.000 0.490 417 D N 0.520 120.936 120.400 0.026 0.000 2.392 417 D HA 0.199 4.840 4.640 0.001 0.000 0.228 417 D C -1.601 174.713 176.300 0.023 0.000 1.074 417 D CA -2.552 51.462 54.000 0.024 0.000 0.838 417 D CB 1.935 42.752 40.800 0.028 0.000 1.067 417 D HN -0.198 nan 8.370 nan 0.000 0.511 418 P HA -0.101 nan 4.420 nan 0.000 0.218 418 P C 0.814 178.122 177.300 0.013 0.000 1.148 418 P CA 0.878 63.986 63.100 0.014 0.000 0.822 418 P CB 0.387 32.093 31.700 0.010 0.000 0.784 419 E N -0.836 119.371 120.200 0.011 0.000 2.371 419 E HA 0.027 4.378 4.350 0.001 0.000 0.194 419 E C 1.959 178.566 176.600 0.012 0.000 1.012 419 E CA 0.556 56.961 56.400 0.007 0.000 0.860 419 E CB -0.325 29.377 29.700 0.003 0.000 0.811 419 E HN 0.129 nan 8.360 nan 0.000 0.502 420 A N 1.814 124.650 122.820 0.026 0.000 1.884 420 A HA -0.216 4.105 4.320 0.001 0.000 0.219 420 A C 2.234 179.839 177.584 0.035 0.000 1.197 420 A CA 1.338 53.401 52.037 0.044 0.000 0.637 420 A CB -0.955 18.081 19.000 0.060 0.000 0.827 420 A HN 0.243 nan 8.150 nan 0.000 0.450 421 L N -0.988 120.251 121.223 0.026 0.000 2.447 421 L HA -0.167 4.174 4.340 0.001 0.000 0.225 421 L C 2.645 179.512 176.870 -0.005 0.000 1.148 421 L CA 1.520 56.370 54.840 0.017 0.000 0.808 421 L CB -0.392 41.677 42.059 0.017 0.000 0.928 421 L HN 0.499 nan 8.230 nan 0.000 0.448 422 T N -0.824 113.723 114.554 -0.012 0.000 2.939 422 T HA -0.076 4.274 4.350 0.001 0.000 0.254 422 T C 1.853 176.515 174.700 -0.063 0.000 1.041 422 T CA 0.883 62.963 62.100 -0.032 0.000 1.142 422 T CB 0.226 69.078 68.868 -0.026 0.000 0.874 422 T HN 0.291 nan 8.240 nan 0.000 0.452 423 K N 0.847 121.211 120.400 -0.061 0.000 2.057 423 K HA 0.061 4.382 4.320 0.001 0.000 0.206 423 K C 2.120 178.592 176.600 -0.213 0.000 1.050 423 K CA 1.209 57.425 56.287 -0.119 0.000 0.935 423 K CB -0.254 32.215 32.500 -0.052 0.000 0.715 423 K HN 0.323 nan 8.250 nan 0.000 0.439 424 I N 1.055 121.565 120.570 -0.101 0.000 2.127 424 I HA -0.303 3.867 4.170 0.001 0.000 0.241 424 I C 2.795 178.845 176.117 -0.111 0.000 1.075 424 I CA 1.256 62.516 61.300 -0.068 0.000 1.334 424 I CB -0.285 37.748 38.000 0.056 0.000 1.040 424 I HN 0.184 nan 8.210 nan 0.000 0.405 425 R N 0.727 121.178 120.500 -0.081 0.000 2.091 425 R HA -0.218 4.123 4.340 0.001 0.000 0.238 425 R C 2.571 178.806 176.300 -0.109 0.000 1.136 425 R CA 1.424 57.478 56.100 -0.077 0.000 0.959 425 R CB -0.226 30.041 30.300 -0.056 0.000 0.856 425 R HN 0.216 nan 8.270 nan 0.000 0.437 426 R N 0.799 121.215 120.500 -0.140 0.000 2.075 426 R HA -0.103 4.237 4.340 0.001 0.000 0.232 426 R C 1.597 177.779 176.300 -0.198 0.000 1.126 426 R CA 1.461 57.466 56.100 -0.158 0.000 0.963 426 R CB -0.201 30.001 30.300 -0.164 0.000 0.858 426 R HN 0.250 nan 8.270 nan 0.000 0.435 427 E N 0.471 120.490 120.200 -0.302 0.000 2.268 427 E HA -0.131 4.219 4.350 0.001 0.000 0.195 427 E C 1.878 178.386 176.600 -0.153 0.000 0.995 427 E CA 0.606 56.796 56.400 -0.350 0.000 0.836 427 E CB 0.044 29.191 29.700 -0.921 0.000 0.763 427 E HN 0.177 nan 8.360 nan 0.000 0.491 428 L N 0.710 121.864 121.223 -0.114 0.000 2.145 428 L HA -0.002 4.338 4.340 0.001 0.000 0.201 428 L C 2.337 179.166 176.870 -0.068 0.000 1.075 428 L CA 1.352 56.156 54.840 -0.060 0.000 0.773 428 L CB -0.514 41.508 42.059 -0.062 0.000 0.936 428 L HN -0.063 nan 8.230 nan 0.000 0.451 429 K N -0.673 119.678 120.400 -0.083 0.000 2.057 429 K HA -0.100 4.220 4.320 0.001 0.000 0.207 429 K C -0.323 176.231 176.600 -0.076 0.000 1.049 429 K CA 1.257 57.496 56.287 -0.080 0.000 0.931 429 K CB 0.198 32.647 32.500 -0.085 0.000 0.714 429 K HN 0.224 nan 8.250 nan 0.000 0.440 430 D N 0.358 120.705 120.400 -0.087 0.000 2.408 430 D HA 0.178 4.818 4.640 0.001 0.000 0.261 430 D C -1.267 174.988 176.300 -0.075 0.000 1.190 430 D CA -0.135 53.818 54.000 -0.079 0.000 0.910 430 D CB 1.469 42.206 40.800 -0.105 0.000 1.097 430 D HN 0.221 nan 8.370 nan 0.000 0.522 431 A N 1.538 124.334 122.820 -0.039 0.000 2.511 431 A HA 0.547 4.868 4.320 0.001 0.000 0.242 431 A C 0.845 178.393 177.584 -0.059 0.000 1.069 431 A CA 0.289 52.312 52.037 -0.024 0.000 0.763 431 A CB 0.592 19.605 19.000 0.023 0.000 1.001 431 A HN 0.514 nan 8.150 nan 0.000 0.498 432 G N -0.739 108.018 108.800 -0.071 0.000 3.175 432 G HA2 0.559 4.520 3.960 0.001 0.000 0.255 432 G HA3 0.559 4.520 3.960 0.001 0.000 0.255 432 G C 0.831 175.652 174.900 -0.132 0.000 1.352 432 G CA 0.125 45.127 45.100 -0.162 0.000 1.037 432 G HN 1.296 nan 8.290 nan 0.000 0.556 433 A N -0.914 121.789 122.820 -0.194 0.000 2.121 433 A HA 0.094 4.414 4.320 0.001 0.000 0.218 433 A C 1.520 179.257 177.584 0.254 0.000 1.154 433 A CA 1.823 53.772 52.037 -0.146 0.000 0.679 433 A CB -0.151 18.853 19.000 0.008 0.000 0.795 433 A HN 0.386 nan 8.150 nan 0.000 0.458 434 D N -1.140 119.449 120.400 0.315 0.000 2.339 434 D HA 0.040 4.680 4.640 0.001 0.000 0.217 434 D C 1.752 178.429 176.300 0.627 0.000 1.050 434 D CA 0.087 54.442 54.000 0.593 0.000 0.856 434 D CB -0.184 40.935 40.800 0.532 0.000 0.922 434 D HN 0.467 nan 8.370 nan 0.000 0.518 435 R N 0.653 121.389 120.500 0.392 0.000 2.134 435 R HA -0.227 4.113 4.340 0.001 0.000 0.248 435 R C 2.097 178.544 176.300 0.245 0.000 1.143 435 R CA 1.277 57.569 56.100 0.320 0.000 0.957 435 R CB -0.464 29.942 30.300 0.176 0.000 0.867 435 R HN 0.144 nan 8.270 nan 0.000 0.441 436 I N 0.123 120.709 120.570 0.028 0.000 2.194 436 I HA -0.306 3.864 4.170 0.001 0.000 0.246 436 I C 1.584 177.644 176.117 -0.096 0.000 1.093 436 I CA 1.649 62.841 61.300 -0.181 0.000 1.355 436 I CB -0.179 37.434 38.000 -0.645 0.000 1.046 436 I HN 0.334 nan 8.210 nan 0.000 0.413 437 W N -0.965 120.391 121.300 0.094 0.000 2.584 437 W HA -0.114 4.546 4.660 0.000 0.000 0.264 437 W C 2.238 178.705 176.519 -0.087 0.000 1.264 437 W CA 0.471 57.826 57.345 0.018 0.000 1.306 437 W CB -0.906 28.452 29.460 -0.171 0.000 1.110 437 W HN 0.242 nan 8.180 nan 0.000 0.606 438 Y N 0.248 120.716 120.300 0.280 0.000 2.337 438 Y HA -0.075 4.476 4.550 0.001 0.000 0.293 438 Y C 2.396 178.317 175.900 0.035 0.000 1.123 438 Y CA 0.915 59.099 58.100 0.141 0.000 1.201 438 Y CB -0.865 37.648 38.460 0.088 0.000 1.011 438 Y HN -0.195 nan 8.280 nan 0.000 0.545 439 I N -0.598 120.057 120.570 0.142 0.000 2.208 439 I HA -0.362 3.808 4.170 0.001 0.000 0.245 439 I C 2.538 178.528 176.117 -0.212 0.000 1.097 439 I CA 1.306 62.558 61.300 -0.080 0.000 1.363 439 I CB -0.522 37.493 38.000 0.026 0.000 1.051 439 I HN 0.200 nan 8.210 nan 0.000 0.413 440 A N 0.287 123.119 122.820 0.019 0.000 1.873 440 A HA -0.232 4.088 4.320 0.001 0.000 0.215 440 A C 1.977 179.614 177.584 0.087 0.000 1.186 440 A CA 1.951 54.024 52.037 0.061 0.000 0.616 440 A CB -0.599 18.486 19.000 0.142 0.000 0.823 440 A HN 0.316 nan 8.150 nan 0.000 0.442 441 D N 0.039 120.497 120.400 0.097 0.000 2.182 441 D HA -0.062 4.578 4.640 0.001 0.000 0.201 441 D C 2.160 178.505 176.300 0.075 0.000 0.986 441 D CA 1.363 55.423 54.000 0.099 0.000 0.847 441 D CB -0.296 40.570 40.800 0.110 0.000 0.942 441 D HN 0.425 nan 8.370 nan 0.000 0.467 442 A N 0.078 122.896 122.820 -0.003 0.000 1.898 442 A HA -0.148 4.173 4.320 0.001 0.000 0.216 442 A C 1.905 179.477 177.584 -0.020 0.000 1.181 442 A CA 0.921 52.917 52.037 -0.067 0.000 0.620 442 A CB -0.786 18.060 19.000 -0.257 0.000 0.819 442 A HN 0.129 nan 8.150 nan 0.000 0.442 443 F N -0.037 119.947 119.950 0.056 0.000 2.206 443 F HA -0.018 4.509 4.527 0.001 0.000 0.298 443 F C 2.451 178.272 175.800 0.034 0.000 1.090 443 F CA 1.106 59.125 58.000 0.032 0.000 1.323 443 F CB -0.600 38.403 39.000 0.005 0.000 1.028 443 F HN 0.113 nan 8.300 nan 0.000 0.492 444 R N -0.001 120.617 120.500 0.197 0.000 2.152 444 R HA -0.028 4.312 4.340 0.001 0.000 0.232 444 R C 1.998 178.362 176.300 0.108 0.000 1.117 444 R CA 1.078 57.259 56.100 0.135 0.000 0.981 444 R CB -0.566 29.802 30.300 0.113 0.000 0.870 444 R HN 0.225 nan 8.270 nan 0.000 0.451 445 A N -0.148 122.733 122.820 0.103 0.000 2.251 445 A HA 0.278 4.598 4.320 0.001 0.000 0.209 445 A C 1.284 178.916 177.584 0.080 0.000 1.187 445 A CA 0.655 52.739 52.037 0.080 0.000 0.823 445 A CB 0.118 19.159 19.000 0.068 0.000 0.846 445 A HN 0.430 nan 8.150 nan 0.000 0.486 446 G N -1.412 107.452 108.800 0.106 0.000 2.159 446 G HA2 -0.181 3.779 3.960 0.001 0.000 0.227 446 G HA3 -0.181 3.779 3.960 0.001 0.000 0.227 446 G C 0.070 175.038 174.900 0.113 0.000 0.986 446 G CA 0.092 45.250 45.100 0.097 0.000 0.651 446 G HN 0.386 nan 8.290 nan 0.000 0.523 447 L N 2.092 123.397 121.223 0.137 0.000 2.397 447 L HA 0.545 4.885 4.340 0.001 0.000 0.271 447 L C 1.509 178.531 176.870 0.253 0.000 1.148 447 L CA 0.186 55.109 54.840 0.138 0.000 0.825 447 L CB 1.249 43.341 42.059 0.056 0.000 1.117 447 L HN 0.465 nan 8.230 nan 0.000 0.456 448 S N 1.631 117.454 115.700 0.204 0.000 2.681 448 S HA 0.227 4.698 4.470 0.001 0.000 0.270 448 S C 1.028 175.855 174.600 0.379 0.000 1.209 448 S CA -0.901 57.438 58.200 0.232 0.000 0.988 448 S CB 1.471 64.750 63.200 0.132 0.000 1.006 448 S HN 0.325 nan 8.310 nan 0.000 0.558 449 V N 1.136 121.244 119.914 0.324 0.000 2.358 449 V HA -0.126 3.994 4.120 0.001 0.000 0.246 449 V C 2.179 178.449 176.094 0.294 0.000 1.047 449 V CA 2.167 64.695 62.300 0.379 0.000 1.035 449 V CB -1.013 30.883 31.823 0.121 0.000 0.658 449 V HN 0.835 nan 8.190 nan 0.000 0.452 450 D N 0.565 121.082 120.400 0.195 0.000 2.117 450 D HA -0.108 4.532 4.640 0.001 0.000 0.197 450 D C 2.206 178.642 176.300 0.228 0.000 0.987 450 D CA 1.569 55.683 54.000 0.190 0.000 0.829 450 D CB -0.633 40.231 40.800 0.107 0.000 0.961 450 D HN 0.448 nan 8.370 nan 0.000 0.460 451 G N 0.664 109.569 108.800 0.175 0.000 2.459 451 G HA2 -0.241 3.720 3.960 0.001 0.000 0.217 451 G HA3 -0.241 3.720 3.960 0.001 0.000 0.217 451 G C 1.871 176.834 174.900 0.105 0.000 1.183 451 G CA 1.010 46.186 45.100 0.127 0.000 0.776 451 G HN 0.252 nan 8.290 nan 0.000 0.552 452 V N 0.488 120.473 119.914 0.120 0.000 2.295 452 V HA -0.137 3.983 4.120 0.001 0.000 0.246 452 V C 2.327 178.462 176.094 0.068 0.000 1.049 452 V CA 1.898 64.223 62.300 0.041 0.000 1.024 452 V CB -0.684 31.114 31.823 -0.043 0.000 0.648 452 V HN 0.396 nan 8.190 nan 0.000 0.447 453 F N 2.107 122.097 119.950 0.067 0.000 2.065 453 F HA -0.246 4.282 4.527 0.000 0.000 0.298 453 F C 2.359 178.183 175.800 0.040 0.000 1.112 453 F CA 2.205 60.239 58.000 0.057 0.000 1.212 453 F CB -0.477 38.563 39.000 0.066 0.000 0.975 453 F HN 0.192 nan 8.300 nan 0.000 0.476 454 N N 0.760 119.522 118.700 0.103 0.000 2.205 454 N HA -0.175 4.565 4.740 0.001 0.000 0.186 454 N C 1.892 177.327 175.510 -0.125 0.000 1.015 454 N CA 1.717 54.771 53.050 0.006 0.000 0.862 454 N CB -0.475 38.090 38.487 0.131 0.000 0.986 454 N HN 0.403 nan 8.380 nan 0.000 0.429 455 L N -0.165 120.993 121.223 -0.108 0.000 2.249 455 L HA 0.020 4.361 4.340 0.001 0.000 0.207 455 L C 2.128 178.912 176.870 -0.144 0.000 1.090 455 L CA 1.128 55.906 54.840 -0.104 0.000 0.802 455 L CB -0.173 41.845 42.059 -0.069 0.000 0.947 455 L HN 0.255 nan 8.230 nan 0.000 0.453 456 T N -5.563 108.871 114.554 -0.201 0.000 2.990 456 T HA 0.117 4.468 4.350 0.001 0.000 0.249 456 T C 0.822 175.353 174.700 -0.282 0.000 1.039 456 T CA 0.361 62.348 62.100 -0.187 0.000 1.036 456 T CB -0.087 68.702 68.868 -0.132 0.000 0.994 456 T HN 0.284 nan 8.240 nan 0.000 0.489 457 N N 0.485 118.840 118.700 -0.574 0.000 2.753 457 N HA -0.121 4.619 4.740 0.001 0.000 0.251 457 N C -0.847 174.485 175.510 -0.297 0.000 1.097 457 N CA 0.551 53.200 53.050 -0.667 0.000 0.786 457 N CB -1.693 36.614 38.487 -0.299 0.000 1.137 457 N HN 0.568 nan 8.380 nan 0.000 0.566 458 I N 0.868 121.304 120.570 -0.224 0.000 2.371 458 I HA 0.041 4.211 4.170 0.001 0.000 0.290 458 I C 0.845 177.074 176.117 0.187 0.000 1.028 458 I CA -0.286 60.931 61.300 -0.137 0.000 1.345 458 I CB 0.536 38.307 38.000 -0.381 0.000 1.407 458 I HN 0.126 nan 8.210 nan 0.000 0.501 459 D N 6.114 126.711 120.400 0.329 0.000 2.583 459 D HA -0.076 4.564 4.640 0.001 0.000 0.232 459 D C 1.175 177.703 176.300 0.380 0.000 1.128 459 D CA 0.431 54.687 54.000 0.425 0.000 0.859 459 D CB 0.816 41.841 40.800 0.375 0.000 1.169 459 D HN 0.492 nan 8.370 nan 0.000 0.481 460 R N 2.846 123.514 120.500 0.279 0.000 2.159 460 R HA -0.202 4.138 4.340 0.001 0.000 0.237 460 R C 1.910 178.285 176.300 0.126 0.000 1.131 460 R CA 1.156 57.367 56.100 0.185 0.000 0.982 460 R CB -0.138 30.194 30.300 0.053 0.000 0.868 460 R HN 0.654 nan 8.270 nan 0.000 0.453 461 W N 0.755 122.014 121.300 -0.068 0.000 2.325 461 W HA -0.212 4.448 4.660 0.001 0.000 0.299 461 W C 1.239 177.645 176.519 -0.189 0.000 1.215 461 W CA 1.564 58.784 57.345 -0.208 0.000 1.244 461 W CB -0.206 29.015 29.460 -0.398 0.000 1.140 461 W HN -0.032 nan 8.180 nan 0.000 0.523 462 F N -0.493 119.587 119.950 0.217 0.000 2.219 462 F HA -0.040 4.488 4.527 0.001 0.000 0.294 462 F C 2.275 178.123 175.800 0.079 0.000 1.086 462 F CA 1.106 59.192 58.000 0.142 0.000 1.330 462 F CB -1.234 37.935 39.000 0.282 0.000 1.047 462 F HN -0.255 nan 8.300 nan 0.000 0.495 463 L N 0.364 121.767 121.223 0.299 0.000 1.990 463 L HA -0.234 4.107 4.340 0.001 0.000 0.213 463 L C 2.662 179.591 176.870 0.098 0.000 1.072 463 L CA 1.740 56.763 54.840 0.305 0.000 0.755 463 L CB -1.253 41.024 42.059 0.364 0.000 0.889 463 L HN 0.170 nan 8.230 nan 0.000 0.432 464 V N -2.499 117.382 119.914 -0.056 0.000 2.453 464 V HA -0.317 3.803 4.120 0.001 0.000 0.252 464 V C 2.156 178.111 176.094 -0.232 0.000 1.068 464 V CA 1.803 63.980 62.300 -0.206 0.000 1.070 464 V CB -0.984 30.719 31.823 -0.199 0.000 0.664 464 V HN 0.542 nan 8.190 nan 0.000 0.461 465 Q N 0.059 119.735 119.800 -0.207 0.000 2.172 465 Q HA 0.085 4.426 4.340 0.001 0.000 0.200 465 Q C 2.293 178.207 176.000 -0.142 0.000 0.964 465 Q CA 1.798 57.483 55.803 -0.197 0.000 0.855 465 Q CB -0.201 28.390 28.738 -0.245 0.000 0.918 465 Q HN 0.672 nan 8.270 nan 0.000 0.444 466 I N 0.656 121.179 120.570 -0.078 0.000 2.439 466 I HA -0.210 3.961 4.170 0.001 0.000 0.251 466 I C 2.433 178.438 176.117 -0.186 0.000 1.139 466 I CA 0.926 62.119 61.300 -0.179 0.000 1.438 466 I CB -0.177 37.782 38.000 -0.067 0.000 1.085 466 I HN 0.268 nan 8.210 nan 0.000 0.427 467 E N 1.476 121.481 120.200 -0.326 0.000 2.110 467 E HA -0.298 4.052 4.350 0.001 0.000 0.193 467 E C 2.096 178.532 176.600 -0.273 0.000 0.988 467 E CA 1.378 57.421 56.400 -0.595 0.000 0.804 467 E CB 0.003 29.001 29.700 -1.170 0.000 0.745 467 E HN 0.476 nan 8.360 nan 0.000 0.458 468 E N 0.362 120.434 120.200 -0.213 0.000 2.106 468 E HA -0.182 4.168 4.350 0.001 0.000 0.192 468 E C 2.242 178.840 176.600 -0.004 0.000 0.984 468 E CA 0.875 57.213 56.400 -0.104 0.000 0.806 468 E CB -0.058 29.586 29.700 -0.094 0.000 0.750 468 E HN 0.359 nan 8.360 nan 0.000 0.458 469 L N 0.344 121.556 121.223 -0.018 0.000 2.079 469 L HA -0.182 4.159 4.340 0.001 0.000 0.210 469 L C 2.550 179.554 176.870 0.223 0.000 1.081 469 L CA 0.662 55.587 54.840 0.141 0.000 0.752 469 L CB -0.415 41.593 42.059 -0.085 0.000 0.896 469 L HN 0.108 nan 8.230 nan 0.000 0.433 470 V N -0.147 119.801 119.914 0.058 0.000 2.261 470 V HA -0.247 3.873 4.120 0.001 0.000 0.246 470 V C 2.732 178.877 176.094 0.084 0.000 1.047 470 V CA 1.627 63.981 62.300 0.090 0.000 1.015 470 V CB -0.533 31.340 31.823 0.085 0.000 0.642 470 V HN 0.437 nan 8.190 nan 0.000 0.446 471 R N -0.285 120.239 120.500 0.040 0.000 2.105 471 R HA -0.132 4.209 4.340 0.001 0.000 0.239 471 R C 2.191 178.525 176.300 0.057 0.000 1.135 471 R CA 1.392 57.510 56.100 0.029 0.000 0.967 471 R CB -0.930 29.364 30.300 -0.009 0.000 0.861 471 R HN 0.434 nan 8.270 nan 0.000 0.442 472 L N 0.822 122.104 121.223 0.098 0.000 2.093 472 L HA -0.141 4.199 4.340 0.001 0.000 0.208 472 L C 2.431 179.312 176.870 0.018 0.000 1.085 472 L CA 1.273 56.176 54.840 0.105 0.000 0.755 472 L CB -0.312 41.843 42.059 0.159 0.000 0.904 472 L HN 0.226 nan 8.230 nan 0.000 0.435 473 E N -0.116 120.102 120.200 0.031 0.000 2.077 473 E HA -0.237 4.113 4.350 0.001 0.000 0.193 473 E C 2.043 178.655 176.600 0.020 0.000 0.989 473 E CA 1.162 57.556 56.400 -0.010 0.000 0.800 473 E CB 0.014 29.786 29.700 0.120 0.000 0.746 473 E HN 0.537 nan 8.360 nan 0.000 0.452 474 E N 0.805 121.032 120.200 0.045 0.000 2.077 474 E HA -0.226 4.124 4.350 0.001 0.000 0.193 474 E C 2.085 178.704 176.600 0.031 0.000 0.989 474 E CA 1.088 57.511 56.400 0.038 0.000 0.800 474 E CB -0.051 29.671 29.700 0.037 0.000 0.746 474 E HN 0.075 nan 8.360 nan 0.000 0.452 475 K N 0.992 121.416 120.400 0.040 0.000 2.057 475 K HA -0.155 4.165 4.320 0.001 0.000 0.207 475 K C 2.055 178.704 176.600 0.083 0.000 1.049 475 K CA 1.278 57.585 56.287 0.032 0.000 0.931 475 K CB -0.036 32.476 32.500 0.020 0.000 0.714 475 K HN -0.057 nan 8.250 nan 0.000 0.440 476 V N 1.473 121.466 119.914 0.132 0.000 2.287 476 V HA -0.264 3.856 4.120 0.001 0.000 0.248 476 V C 2.518 178.646 176.094 0.056 0.000 1.053 476 V CA 2.059 64.434 62.300 0.125 0.000 1.027 476 V CB -0.891 30.906 31.823 -0.044 0.000 0.646 476 V HN 0.560 nan 8.190 nan 0.000 0.447 477 A N -0.130 122.707 122.820 0.028 0.000 1.978 477 A HA -0.285 4.036 4.320 0.001 0.000 0.220 477 A C 2.209 179.807 177.584 0.022 0.000 1.170 477 A CA 2.178 54.228 52.037 0.022 0.000 0.636 477 A CB -0.459 18.554 19.000 0.023 0.000 0.810 477 A HN 0.675 nan 8.150 nan 0.000 0.448 478 E N 0.090 120.303 120.200 0.021 0.000 2.028 478 E HA -0.132 4.219 4.350 0.001 0.000 0.190 478 E C 1.850 178.454 176.600 0.008 0.000 0.984 478 E CA 2.013 58.418 56.400 0.009 0.000 0.800 478 E CB -0.301 29.396 29.700 -0.004 0.000 0.758 478 E HN 0.527 nan 8.360 nan 0.000 0.448 479 V N -1.945 117.978 119.914 0.015 0.000 2.871 479 V HA 0.266 4.387 4.120 0.001 0.000 0.256 479 V C 1.232 177.347 176.094 0.035 0.000 1.082 479 V CA 0.730 63.039 62.300 0.016 0.000 1.105 479 V CB -1.163 30.661 31.823 0.002 0.000 0.713 479 V HN 0.449 nan 8.190 nan 0.000 0.473 480 G N 0.374 109.200 108.800 0.043 0.000 2.804 480 G HA2 -0.330 3.630 3.960 0.001 0.000 0.230 480 G HA3 -0.330 3.630 3.960 0.001 0.000 0.230 480 G C 0.283 175.211 174.900 0.047 0.000 1.386 480 G CA 0.233 45.353 45.100 0.034 0.000 0.875 480 G HN 0.939 nan 8.290 nan 0.000 0.557 481 I N 0.537 121.125 120.570 0.029 0.000 2.530 481 I HA -0.107 4.063 4.170 0.001 0.000 0.257 481 I C 2.866 179.011 176.117 0.047 0.000 1.179 481 I CA 2.980 64.296 61.300 0.028 0.000 1.440 481 I CB -0.094 37.909 38.000 0.006 0.000 1.087 481 I HN 0.918 nan 8.210 nan 0.000 0.440 482 T N -2.910 111.671 114.554 0.046 0.000 2.985 482 T HA 0.064 4.414 4.350 0.001 0.000 0.266 482 T C 1.901 176.644 174.700 0.072 0.000 1.076 482 T CA 0.619 62.751 62.100 0.052 0.000 1.135 482 T CB -0.917 67.972 68.868 0.034 0.000 0.890 482 T HN 0.383 nan 8.240 nan 0.000 0.480 483 G N 1.153 109.999 108.800 0.077 0.000 2.744 483 G HA2 0.205 4.166 3.960 0.001 0.000 0.211 483 G HA3 0.205 4.166 3.960 0.001 0.000 0.211 483 G C 0.707 175.727 174.900 0.201 0.000 1.143 483 G CA -0.205 44.950 45.100 0.092 0.000 0.788 483 G HN 0.547 nan 8.290 nan 0.000 0.534 484 L N 2.536 123.874 121.223 0.191 0.000 2.480 484 L HA 0.182 4.523 4.340 0.001 0.000 0.243 484 L C 0.182 177.224 176.870 0.287 0.000 1.315 484 L CA -0.791 54.188 54.840 0.233 0.000 1.231 484 L CB -0.751 41.376 42.059 0.113 0.000 1.444 484 L HN 0.254 nan 8.230 nan 0.000 0.409 485 N N -0.013 118.830 118.700 0.239 0.000 2.467 485 N HA 0.208 4.948 4.740 0.001 0.000 0.262 485 N C 1.171 176.663 175.510 -0.030 0.000 1.234 485 N CA 0.142 53.255 53.050 0.105 0.000 0.952 485 N CB 0.983 39.490 38.487 0.034 0.000 1.158 485 N HN 0.203 nan 8.380 nan 0.000 0.463 486 A N 0.656 123.120 122.820 -0.594 0.000 1.997 486 A HA -0.263 4.057 4.320 0.001 0.000 0.221 486 A C 1.430 178.905 177.584 -0.182 0.000 1.172 486 A CA 1.872 53.500 52.037 -0.682 0.000 0.645 486 A CB -0.764 17.637 19.000 -0.998 0.000 0.813 486 A HN 0.812 nan 8.150 nan 0.000 0.454 487 D N -1.214 119.130 120.400 -0.094 0.000 2.084 487 D HA -0.101 4.540 4.640 0.001 0.000 0.196 487 D C 1.636 177.999 176.300 0.105 0.000 0.985 487 D CA 1.151 55.153 54.000 0.004 0.000 0.826 487 D CB -0.557 40.250 40.800 0.012 0.000 0.978 487 D HN 0.405 nan 8.370 nan 0.000 0.456 488 F N 1.416 121.336 119.950 -0.050 0.000 2.102 488 F HA -0.108 4.419 4.527 0.001 0.000 0.298 488 F C 2.099 177.881 175.800 -0.030 0.000 1.105 488 F CA 0.564 58.542 58.000 -0.037 0.000 1.239 488 F CB -0.714 38.264 39.000 -0.036 0.000 0.991 488 F HN -0.103 nan 8.300 nan 0.000 0.474 489 L N 0.753 121.947 121.223 -0.049 0.000 2.079 489 L HA -0.170 4.170 4.340 0.001 0.000 0.210 489 L C 2.585 179.361 176.870 -0.156 0.000 1.081 489 L CA 1.760 56.506 54.840 -0.157 0.000 0.752 489 L CB -0.826 41.279 42.059 0.077 0.000 0.896 489 L HN 0.087 nan 8.230 nan 0.000 0.433 490 R N -0.996 119.467 120.500 -0.063 0.000 2.115 490 R HA -0.182 4.159 4.340 0.001 0.000 0.230 490 R C 2.306 178.563 176.300 -0.073 0.000 1.111 490 R CA 1.537 57.603 56.100 -0.057 0.000 0.976 490 R CB -0.182 30.129 30.300 0.019 0.000 0.870 490 R HN 0.614 nan 8.270 nan 0.000 0.445 491 Q N 0.609 120.388 119.800 -0.034 0.000 2.050 491 Q HA -0.178 4.163 4.340 0.001 0.000 0.202 491 Q C 2.167 178.146 176.000 -0.034 0.000 0.980 491 Q CA 1.505 57.316 55.803 0.012 0.000 0.840 491 Q CB -0.083 28.731 28.738 0.127 0.000 0.898 491 Q HN 0.340 nan 8.270 nan 0.000 0.424 492 L N 0.586 121.703 121.223 -0.177 0.000 2.012 492 L HA -0.240 4.101 4.340 0.001 0.000 0.210 492 L C 2.623 179.488 176.870 -0.009 0.000 1.073 492 L CA 1.163 55.931 54.840 -0.120 0.000 0.748 492 L CB -0.522 41.246 42.059 -0.485 0.000 0.891 492 L HN 0.088 nan 8.230 nan 0.000 0.431 493 K N 0.293 120.536 120.400 -0.262 0.000 2.057 493 K HA -0.146 4.175 4.320 0.001 0.000 0.207 493 K C 2.174 178.486 176.600 -0.480 0.000 1.049 493 K CA 1.354 57.298 56.287 -0.571 0.000 0.931 493 K CB -0.435 31.322 32.500 -1.239 0.000 0.714 493 K HN 0.244 nan 8.250 nan 0.000 0.440 494 R N 0.801 121.153 120.500 -0.246 0.000 2.193 494 R HA -0.019 4.322 4.340 0.001 0.000 0.229 494 R C 1.513 177.838 176.300 0.042 0.000 1.110 494 R CA 0.881 56.984 56.100 0.005 0.000 0.988 494 R CB 0.133 30.472 30.300 0.065 0.000 0.871 494 R HN 0.057 nan 8.270 nan 0.000 0.458 495 K N -0.748 119.670 120.400 0.030 0.000 2.417 495 K HA 0.110 4.430 4.320 0.001 0.000 0.196 495 K C 0.785 177.320 176.600 -0.107 0.000 1.023 495 K CA 0.757 57.051 56.287 0.012 0.000 1.122 495 K CB 1.150 33.710 32.500 0.101 0.000 0.850 495 K HN 0.376 nan 8.250 nan 0.000 0.521 496 G N 1.550 110.316 108.800 -0.057 0.000 2.176 496 G HA2 -0.257 3.703 3.960 0.001 0.000 0.253 496 G HA3 -0.257 3.703 3.960 0.001 0.000 0.253 496 G C 0.005 174.842 174.900 -0.105 0.000 0.979 496 G CA -0.422 44.635 45.100 -0.072 0.000 0.641 496 G HN 0.213 nan 8.290 nan 0.000 0.530 497 F N 1.891 121.810 119.950 -0.051 0.000 2.578 497 F HA 0.495 5.023 4.527 0.001 0.000 0.376 497 F C 1.211 176.979 175.800 -0.054 0.000 1.085 497 F CA 0.429 58.403 58.000 -0.044 0.000 1.260 497 F CB 0.724 39.675 39.000 -0.082 0.000 1.095 497 F HN 0.359 nan 8.300 nan 0.000 0.573 498 A N 3.066 125.981 122.820 0.158 0.000 2.371 498 A HA 0.187 4.508 4.320 0.001 0.000 0.257 498 A C 1.108 178.739 177.584 0.078 0.000 1.089 498 A CA -0.694 51.401 52.037 0.096 0.000 0.794 498 A CB 0.275 19.326 19.000 0.084 0.000 1.029 498 A HN 0.778 nan 8.150 nan 0.000 0.488 499 D N 1.662 122.089 120.400 0.046 0.000 2.158 499 D HA -0.160 4.480 4.640 0.001 0.000 0.197 499 D C 2.152 178.464 176.300 0.020 0.000 0.995 499 D CA 2.007 56.017 54.000 0.017 0.000 0.846 499 D CB -0.334 40.474 40.800 0.014 0.000 0.941 499 D HN 0.650 nan 8.370 nan 0.000 0.456 500 A N 0.687 123.527 122.820 0.034 0.000 1.902 500 A HA -0.204 4.117 4.320 0.001 0.000 0.217 500 A C 2.221 179.833 177.584 0.046 0.000 1.181 500 A CA 1.938 53.994 52.037 0.033 0.000 0.623 500 A CB -0.448 18.570 19.000 0.031 0.000 0.818 500 A HN 0.125 nan 8.150 nan 0.000 0.443 501 R N -0.159 120.389 120.500 0.080 0.000 2.090 501 R HA 0.064 4.405 4.340 0.001 0.000 0.228 501 R C 1.891 178.231 176.300 0.067 0.000 1.110 501 R CA 1.297 57.465 56.100 0.113 0.000 0.973 501 R CB -0.590 29.838 30.300 0.214 0.000 0.869 501 R HN 0.510 nan 8.270 nan 0.000 0.440 502 L N -0.068 121.172 121.223 0.028 0.000 2.056 502 L HA -0.061 4.279 4.340 0.001 0.000 0.207 502 L C 2.562 179.412 176.870 -0.033 0.000 1.078 502 L CA 1.224 56.032 54.840 -0.053 0.000 0.749 502 L CB -0.771 41.222 42.059 -0.109 0.000 0.901 502 L HN 0.306 nan 8.230 nan 0.000 0.433 503 A N 0.639 123.451 122.820 -0.014 0.000 1.859 503 A HA -0.284 4.036 4.320 0.001 0.000 0.217 503 A C 2.353 179.936 177.584 -0.002 0.000 1.198 503 A CA 2.192 54.222 52.037 -0.011 0.000 0.629 503 A CB -0.548 18.448 19.000 -0.005 0.000 0.830 503 A HN 0.309 nan 8.150 nan 0.000 0.446 504 K N -0.692 119.714 120.400 0.010 0.000 2.074 504 K HA -0.121 4.200 4.320 0.001 0.000 0.209 504 K C 1.917 178.525 176.600 0.013 0.000 1.048 504 K CA 1.632 57.928 56.287 0.015 0.000 0.926 504 K CB -0.399 32.117 32.500 0.028 0.000 0.713 504 K HN 0.492 nan 8.250 nan 0.000 0.444 505 L N -0.092 121.137 121.223 0.011 0.000 2.056 505 L HA -0.133 4.208 4.340 0.001 0.000 0.207 505 L C 2.321 179.192 176.870 0.001 0.000 1.078 505 L CA 1.042 55.886 54.840 0.007 0.000 0.749 505 L CB -0.336 41.716 42.059 -0.011 0.000 0.901 505 L HN 0.193 nan 8.230 nan 0.000 0.433 506 A N -0.427 122.389 122.820 -0.008 0.000 2.206 506 A HA 0.206 4.526 4.320 0.001 0.000 0.211 506 A C 1.591 179.175 177.584 -0.000 0.000 1.158 506 A CA 0.705 52.739 52.037 -0.004 0.000 0.761 506 A CB -0.612 18.380 19.000 -0.013 0.000 0.801 506 A HN 0.511 nan 8.150 nan 0.000 0.473 507 G N -0.747 108.053 108.800 0.001 0.000 2.272 507 G HA2 -0.016 3.944 3.960 0.001 0.000 0.280 507 G HA3 -0.016 3.944 3.960 0.001 0.000 0.280 507 G C 0.161 175.060 174.900 -0.002 0.000 1.067 507 G CA 0.785 45.886 45.100 0.002 0.000 0.902 507 G HN 1.817 nan 8.290 nan 0.000 0.500 508 V N -4.457 115.454 119.914 -0.005 0.000 3.156 508 V HA 0.940 5.061 4.120 0.001 0.000 0.310 508 V C 0.463 176.552 176.094 -0.008 0.000 1.234 508 V CA -1.987 60.308 62.300 -0.008 0.000 1.065 508 V CB 1.354 33.169 31.823 -0.013 0.000 1.088 508 V HN 0.350 nan 8.190 nan 0.000 0.451 509 R N 0.322 120.816 120.500 -0.010 0.000 2.615 509 R HA 0.329 4.669 4.340 0.001 0.000 0.270 509 R C 1.402 177.696 176.300 -0.011 0.000 1.081 509 R CA 0.326 56.421 56.100 -0.008 0.000 1.154 509 R CB 0.401 30.696 30.300 -0.008 0.000 1.063 509 R HN 0.961 nan 8.270 nan 0.000 0.519 510 E N 1.540 121.737 120.200 -0.006 0.000 2.153 510 E HA -0.230 4.120 4.350 0.001 0.000 0.194 510 E C 1.381 177.976 176.600 -0.009 0.000 0.988 510 E CA 1.427 57.824 56.400 -0.005 0.000 0.811 510 E CB 0.049 29.750 29.700 0.002 0.000 0.746 510 E HN 0.699 nan 8.360 nan 0.000 0.466 511 A N 1.077 123.891 122.820 -0.009 0.000 2.019 511 A HA -0.173 4.148 4.320 0.001 0.000 0.219 511 A C 1.905 179.475 177.584 -0.023 0.000 1.164 511 A CA 1.252 53.283 52.037 -0.011 0.000 0.644 511 A CB -0.326 18.669 19.000 -0.008 0.000 0.805 511 A HN 0.182 nan 8.150 nan 0.000 0.449 512 E N 0.168 120.352 120.200 -0.027 0.000 2.077 512 E HA -0.144 4.207 4.350 0.001 0.000 0.193 512 E C 1.946 178.509 176.600 -0.063 0.000 0.989 512 E CA 0.877 57.253 56.400 -0.040 0.000 0.800 512 E CB -0.330 29.350 29.700 -0.033 0.000 0.746 512 E HN 0.586 nan 8.360 nan 0.000 0.452 513 I N 0.275 120.812 120.570 -0.055 0.000 2.315 513 I HA -0.169 4.002 4.170 0.001 0.000 0.248 513 I C 2.454 178.522 176.117 -0.082 0.000 1.117 513 I CA 0.863 62.120 61.300 -0.073 0.000 1.404 513 I CB -0.815 37.154 38.000 -0.052 0.000 1.071 513 I HN 0.098 nan 8.210 nan 0.000 0.419 514 R N 1.289 121.760 120.500 -0.048 0.000 2.092 514 R HA -0.149 4.191 4.340 0.001 0.000 0.231 514 R C 2.259 178.529 176.300 -0.051 0.000 1.119 514 R CA 1.218 57.300 56.100 -0.031 0.000 0.970 514 R CB 0.073 30.374 30.300 0.002 0.000 0.864 514 R HN 0.249 nan 8.270 nan 0.000 0.440 515 K N 0.088 120.449 120.400 -0.064 0.000 2.026 515 K HA -0.155 4.165 4.320 0.001 0.000 0.208 515 K C 1.955 178.463 176.600 -0.154 0.000 1.048 515 K CA 1.147 57.389 56.287 -0.075 0.000 0.929 515 K CB -0.211 32.251 32.500 -0.064 0.000 0.713 515 K HN 0.061 nan 8.250 nan 0.000 0.439 516 L N 1.705 122.789 121.223 -0.232 0.000 2.043 516 L HA -0.198 4.143 4.340 0.001 0.000 0.212 516 L C 2.040 178.557 176.870 -0.589 0.000 1.075 516 L CA 1.706 56.262 54.840 -0.473 0.000 0.752 516 L CB -0.341 41.461 42.059 -0.428 0.000 0.891 516 L HN 0.098 nan 8.230 nan 0.000 0.432 517 R N -0.991 119.330 120.500 -0.299 0.000 2.148 517 R HA -0.113 4.228 4.340 0.001 0.000 0.223 517 R C 1.728 177.916 176.300 -0.187 0.000 1.088 517 R CA 1.114 57.093 56.100 -0.201 0.000 0.985 517 R CB -0.279 29.932 30.300 -0.148 0.000 0.880 517 R HN 0.412 nan 8.270 nan 0.000 0.451 518 D N 0.403 120.740 120.400 -0.104 0.000 2.149 518 D HA -0.118 4.523 4.640 0.001 0.000 0.201 518 D C 1.823 178.147 176.300 0.041 0.000 0.972 518 D CA 0.958 54.980 54.000 0.036 0.000 0.835 518 D CB 0.105 40.935 40.800 0.050 0.000 0.966 518 D HN 0.213 nan 8.370 nan 0.000 0.476 519 Q N -0.740 119.028 119.800 -0.053 0.000 2.046 519 Q HA -0.148 4.193 4.340 0.001 0.000 0.200 519 Q C 1.413 177.509 176.000 0.159 0.000 0.975 519 Q CA 0.944 56.743 55.803 -0.007 0.000 0.836 519 Q CB 0.084 28.730 28.738 -0.152 0.000 0.896 519 Q HN 0.330 nan 8.270 nan 0.000 0.428 520 Y N 0.186 120.484 120.300 -0.003 0.000 2.583 520 Y HA 0.003 4.554 4.550 0.001 0.000 0.293 520 Y C 0.411 176.311 175.900 -0.001 0.000 1.157 520 Y CA 0.755 58.851 58.100 -0.007 0.000 1.315 520 Y CB -0.341 38.103 38.460 -0.026 0.000 1.021 520 Y HN 0.256 nan 8.280 nan 0.000 0.536 521 D N -0.628 119.860 120.400 0.145 0.000 2.800 521 D HA -0.200 4.441 4.640 0.001 0.000 0.232 521 D C -0.829 175.491 176.300 0.033 0.000 1.137 521 D CA 0.168 54.270 54.000 0.169 0.000 0.718 521 D CB -1.277 39.637 40.800 0.190 0.000 1.084 521 D HN 0.101 nan 8.370 nan 0.000 0.432 522 L N 2.561 123.645 121.223 -0.231 0.000 2.288 522 L HA 0.439 4.779 4.340 0.001 0.000 0.283 522 L C -0.742 175.875 176.870 -0.422 0.000 1.072 522 L CA -0.182 54.576 54.840 -0.137 0.000 0.862 522 L CB 0.334 42.412 42.059 0.032 0.000 1.245 522 L HN 0.183 nan 8.230 nan 0.000 0.432 523 H N 4.304 123.458 119.070 0.140 0.000 2.895 523 H HA 0.576 5.133 4.556 0.001 0.000 0.373 523 H C -2.582 172.544 175.328 -0.336 0.000 1.174 523 H CA -1.756 54.293 56.048 0.002 0.000 1.144 523 H CB 1.746 31.505 29.762 -0.005 0.000 1.793 523 H HN 0.346 nan 8.280 nan 0.000 0.551 524 P HA 0.142 nan 4.420 nan 0.000 0.276 524 P C -0.153 176.797 177.300 -0.584 0.000 1.252 524 P CA -0.474 62.038 63.100 -0.980 0.000 0.802 524 P CB 1.230 32.400 31.700 -0.883 0.000 1.035 525 V N -1.888 117.677 119.914 -0.582 0.000 3.096 525 V HA 0.585 4.705 4.120 0.001 0.000 0.319 525 V C -1.034 174.672 176.094 -0.646 0.000 1.103 525 V CA -0.969 61.092 62.300 -0.398 0.000 1.016 525 V CB 1.164 32.872 31.823 -0.191 0.000 1.090 525 V HN 0.333 nan 8.190 nan 0.000 0.449 526 Y N 0.807 121.032 120.300 -0.126 0.000 2.352 526 Y HA 0.727 5.278 4.550 0.001 0.000 0.339 526 Y C 0.344 176.062 175.900 -0.302 0.000 0.992 526 Y CA -0.719 57.272 58.100 -0.180 0.000 1.100 526 Y CB 1.839 40.289 38.460 -0.015 0.000 1.192 526 Y HN 0.509 nan 8.280 nan 0.000 0.458 527 K N 3.056 123.146 120.400 -0.518 0.000 2.185 527 K HA 0.588 4.908 4.320 0.001 0.000 0.240 527 K C -0.345 175.977 176.600 -0.463 0.000 0.983 527 K CA -0.897 55.068 56.287 -0.536 0.000 0.873 527 K CB 1.618 33.705 32.500 -0.688 0.000 1.118 527 K HN 0.693 nan 8.250 nan 0.000 0.441 528 R N 0.172 120.570 120.500 -0.170 0.000 2.732 528 R HA 0.482 4.822 4.340 0.001 0.000 0.278 528 R C -0.419 175.906 176.300 0.042 0.000 0.976 528 R CA -1.081 54.977 56.100 -0.069 0.000 0.963 528 R CB 1.476 31.761 30.300 -0.026 0.000 1.150 528 R HN 0.194 nan 8.270 nan 0.000 0.478 529 V N 2.094 121.966 119.914 -0.069 0.000 2.607 529 V HA 0.051 4.172 4.120 0.001 0.000 0.289 529 V C 0.306 176.447 176.094 0.080 0.000 1.053 529 V CA 0.281 62.553 62.300 -0.048 0.000 0.996 529 V CB 1.307 32.814 31.823 -0.526 0.000 0.995 529 V HN 0.980 nan 8.190 nan 0.000 0.476 530 D N 0.163 120.666 120.400 0.171 0.000 2.497 530 D HA 0.044 4.685 4.640 0.001 0.000 0.256 530 D C 0.904 177.328 176.300 0.206 0.000 1.273 530 D CA 0.812 54.902 54.000 0.150 0.000 0.812 530 D CB 0.149 41.028 40.800 0.131 0.000 1.190 530 D HN 0.813 nan 8.370 nan 0.000 0.524 531 T N -2.045 112.664 114.554 0.258 0.000 7.776 531 T HA -0.339 4.012 4.350 0.001 0.000 0.302 531 T C 1.027 175.957 174.700 0.384 0.000 2.093 531 T CA 1.251 63.563 62.100 0.354 0.000 3.360 531 T CB -2.930 66.257 68.868 0.533 0.000 1.793 531 T HN 0.933 nan 8.240 nan 0.000 1.076 532 C N 0.812 120.288 119.300 0.293 0.000 2.994 532 C HA 0.898 5.359 4.460 0.001 0.000 0.250 532 C C 1.761 176.829 174.990 0.130 0.000 1.814 532 C CA -0.325 58.859 59.018 0.278 0.000 1.730 532 C CB -0.549 27.425 27.740 0.390 0.000 3.258 532 C HN 2.188 nan 8.230 nan 0.000 0.472 533 A N 0.059 122.928 122.820 0.082 0.000 2.771 533 A HA 0.195 4.515 4.320 0.001 0.000 0.294 533 A C 1.645 179.241 177.584 0.020 0.000 1.500 533 A CA 1.772 53.826 52.037 0.030 0.000 0.829 533 A CB -1.827 17.167 19.000 -0.011 0.000 0.998 533 A HN 2.858 nan 8.150 nan 0.000 0.526 534 A N -2.517 120.327 122.820 0.040 0.000 3.080 534 A HA -0.291 4.030 4.320 0.001 0.000 0.254 534 A C 1.115 178.635 177.584 -0.106 0.000 1.277 534 A CA 2.119 54.156 52.037 0.000 0.000 1.065 534 A CB -2.305 16.699 19.000 0.007 0.000 1.160 534 A HN 1.844 nan 8.150 nan 0.000 0.886 535 E N -1.504 118.573 120.200 -0.204 0.000 2.268 535 E HA 0.082 4.432 4.350 0.001 0.000 0.195 535 E C 0.011 176.044 176.600 -0.945 0.000 0.995 535 E CA 0.965 57.028 56.400 -0.561 0.000 0.836 535 E CB 0.004 29.315 29.700 -0.648 0.000 0.763 535 E HN 0.751 nan 8.360 nan 0.000 0.491 536 F N -0.475 119.468 119.950 -0.012 0.000 2.576 536 F HA 0.529 5.056 4.527 0.001 0.000 0.313 536 F C 0.234 176.022 175.800 -0.020 0.000 1.078 536 F CA -1.016 56.967 58.000 -0.029 0.000 0.921 536 F CB 1.321 40.283 39.000 -0.062 0.000 1.232 536 F HN -0.165 nan 8.300 nan 0.000 0.459 537 A N 0.906 123.818 122.820 0.152 0.000 2.386 537 A HA 0.560 4.880 4.320 0.001 0.000 0.246 537 A C 0.070 177.695 177.584 0.069 0.000 1.089 537 A CA 0.065 52.149 52.037 0.079 0.000 0.790 537 A CB 0.408 19.439 19.000 0.051 0.000 1.042 537 A HN 0.764 nan 8.150 nan 0.000 0.497 538 T N -1.247 113.330 114.554 0.038 0.000 2.906 538 T HA 0.508 4.859 4.350 0.001 0.000 0.295 538 T C -0.681 174.020 174.700 0.003 0.000 1.061 538 T CA -0.576 61.534 62.100 0.017 0.000 1.000 538 T CB 1.277 70.156 68.868 0.018 0.000 1.103 538 T HN 0.491 nan 8.240 nan 0.000 0.486 539 D N 1.756 122.149 120.400 -0.011 0.000 2.469 539 D HA 0.222 4.862 4.640 0.001 0.000 0.215 539 D C 0.093 176.385 176.300 -0.013 0.000 1.154 539 D CA 0.152 54.146 54.000 -0.010 0.000 0.832 539 D CB 0.876 41.669 40.800 -0.011 0.000 1.008 539 D HN 0.494 nan 8.370 nan 0.000 0.506 540 T N 0.407 114.948 114.554 -0.022 0.000 2.907 540 T HA 0.604 4.954 4.350 0.001 0.000 0.284 540 T C 0.223 174.926 174.700 0.005 0.000 1.004 540 T CA -0.573 61.515 62.100 -0.019 0.000 1.063 540 T CB 2.163 70.981 68.868 -0.083 0.000 0.992 540 T HN -0.054 nan 8.240 nan 0.000 0.483 541 A N 2.736 125.567 122.820 0.018 0.000 3.047 541 A HA 0.425 4.745 4.320 0.001 0.000 0.337 541 A C -0.933 176.664 177.584 0.023 0.000 1.143 541 A CA -0.481 51.545 52.037 -0.018 0.000 0.905 541 A CB -0.258 18.703 19.000 -0.066 0.000 1.088 541 A HN 0.707 nan 8.150 nan 0.000 0.488 542 Y N 2.741 123.001 120.300 -0.068 0.000 2.491 542 Y HA 0.714 5.264 4.550 0.001 0.000 0.334 542 Y C -0.555 175.336 175.900 -0.015 0.000 0.969 542 Y CA -1.782 56.317 58.100 -0.000 0.000 1.241 542 Y CB 0.444 38.953 38.460 0.082 0.000 1.105 542 Y HN 0.561 nan 8.280 nan 0.000 0.503 543 M N 6.456 126.097 119.600 0.068 0.000 2.690 543 M HA 0.541 5.022 4.480 0.001 0.000 0.302 543 M C -1.513 174.921 176.300 0.223 0.000 1.234 543 M CA -1.127 54.156 55.300 -0.028 0.000 0.853 543 M CB 2.689 35.155 32.600 -0.223 0.000 1.748 543 M HN 0.455 nan 8.290 nan 0.000 0.469 544 Y N -1.634 118.745 120.300 0.132 0.000 2.553 544 Y HA 0.857 5.407 4.550 0.001 0.000 0.347 544 Y C -0.590 175.418 175.900 0.181 0.000 1.019 544 Y CA -1.486 56.721 58.100 0.178 0.000 1.032 544 Y CB 0.845 39.275 38.460 -0.050 0.000 1.284 544 Y HN 0.738 nan 8.280 nan 0.000 0.466 545 S N 1.154 116.982 115.700 0.214 0.000 2.610 545 S HA 0.788 5.259 4.470 0.001 0.000 0.273 545 S C -0.303 174.264 174.600 -0.055 0.000 1.274 545 S CA -0.056 58.018 58.200 -0.211 0.000 1.023 545 S CB 1.715 64.799 63.200 -0.192 0.000 0.962 545 S HN 1.118 nan 8.310 nan 0.000 0.523 546 T N 0.364 114.765 114.554 -0.255 0.000 2.786 546 T HA 0.433 4.784 4.350 0.001 0.000 0.316 546 T C -2.187 172.336 174.700 -0.295 0.000 1.503 546 T CA -0.588 61.474 62.100 -0.064 0.000 1.019 546 T CB 0.665 69.587 68.868 0.089 0.000 1.415 546 T HN 0.562 nan 8.240 nan 0.000 0.496 547 Y N 2.050 122.343 120.300 -0.011 0.000 2.907 547 Y HA 0.571 5.121 4.550 0.001 0.000 0.332 547 Y C 0.754 176.659 175.900 0.008 0.000 1.211 547 Y CA -0.368 57.728 58.100 -0.006 0.000 1.387 547 Y CB 0.509 38.976 38.460 0.013 0.000 1.396 547 Y HN 0.556 nan 8.280 nan 0.000 0.519 548 E N -0.287 119.908 120.200 -0.008 0.000 2.458 548 E HA 0.287 4.638 4.350 0.001 0.000 0.250 548 E C 0.412 177.011 176.600 -0.002 0.000 0.883 548 E CA -0.579 55.834 56.400 0.022 0.000 0.868 548 E CB 1.324 31.041 29.700 0.028 0.000 1.593 548 E HN 0.206 nan 8.360 nan 0.000 0.410 549 E N 0.795 121.000 120.200 0.008 0.000 2.024 549 E HA -0.039 4.312 4.350 0.001 0.000 0.190 549 E C 0.015 176.611 176.600 -0.007 0.000 0.974 549 E CA 0.789 57.193 56.400 0.006 0.000 0.810 549 E CB -0.082 29.628 29.700 0.016 0.000 0.775 549 E HN 0.394 nan 8.360 nan 0.000 0.453 550 E N 0.520 120.714 120.200 -0.009 0.000 2.259 550 E HA 0.133 4.483 4.350 0.001 0.000 0.281 550 E C -1.005 175.580 176.600 -0.025 0.000 1.027 550 E CA -0.247 56.147 56.400 -0.010 0.000 0.838 550 E CB 1.068 30.766 29.700 -0.004 0.000 1.066 550 E HN 0.067 nan 8.360 nan 0.000 0.401 551 C N 4.427 123.721 119.300 -0.010 0.000 2.365 551 C HA 0.308 4.768 4.460 0.001 0.000 0.351 551 C C 0.565 175.566 174.990 0.018 0.000 1.240 551 C CA -0.260 58.761 59.018 0.005 0.000 2.062 551 C CB 0.026 27.794 27.740 0.046 0.000 2.387 551 C HN 0.937 nan 8.230 nan 0.000 0.537 552 E N 2.856 123.070 120.200 0.023 0.000 2.538 552 E HA 0.150 4.501 4.350 0.001 0.000 0.207 552 E C 1.517 178.131 176.600 0.022 0.000 1.002 552 E CA 0.287 56.693 56.400 0.010 0.000 0.952 552 E CB 0.458 30.147 29.700 -0.019 0.000 1.031 552 E HN 0.798 nan 8.360 nan 0.000 0.476 553 A N 2.130 124.994 122.820 0.074 0.000 1.851 553 A HA -0.260 4.060 4.320 0.001 0.000 0.216 553 A C 0.799 178.393 177.584 0.016 0.000 1.195 553 A CA 1.555 53.620 52.037 0.047 0.000 0.622 553 A CB -0.745 18.318 19.000 0.106 0.000 0.831 553 A HN 0.482 nan 8.150 nan 0.000 0.444 554 N N -0.470 118.247 118.700 0.029 0.000 2.688 554 N HA -0.117 4.623 4.740 0.001 0.000 0.258 554 N C -2.599 172.919 175.510 0.014 0.000 1.016 554 N CA 0.187 53.247 53.050 0.017 0.000 0.747 554 N CB -1.371 37.121 38.487 0.009 0.000 0.895 554 N HN 0.432 nan 8.380 nan 0.000 0.543 555 P HA 0.017 nan 4.420 nan 0.000 0.268 555 P C 0.029 177.338 177.300 0.015 0.000 1.208 555 P CA -0.077 63.035 63.100 0.021 0.000 0.777 555 P CB 0.649 32.362 31.700 0.021 0.000 0.875 556 S N -0.652 115.058 115.700 0.017 0.000 2.554 556 S HA 0.345 4.816 4.470 0.001 0.000 0.278 556 S C 0.882 175.490 174.600 0.013 0.000 1.242 556 S CA 0.120 58.328 58.200 0.014 0.000 1.051 556 S CB 0.638 63.847 63.200 0.015 0.000 0.986 556 S HN 0.598 nan 8.310 nan 0.000 0.502 557 T N -1.121 113.439 114.554 0.010 0.000 3.054 557 T HA 0.173 4.523 4.350 0.001 0.000 0.255 557 T C 0.791 175.495 174.700 0.007 0.000 1.035 557 T CA 0.262 62.367 62.100 0.008 0.000 0.941 557 T CB -0.095 68.777 68.868 0.006 0.000 1.026 557 T HN 0.551 nan 8.240 nan 0.000 0.533 558 D N 1.432 121.836 120.400 0.007 0.000 2.162 558 D HA 0.102 4.743 4.640 0.001 0.000 0.203 558 D C 1.051 177.352 176.300 0.002 0.000 0.967 558 D CA 0.711 54.712 54.000 0.003 0.000 0.840 558 D CB 0.350 41.151 40.800 0.002 0.000 0.972 558 D HN 0.431 nan 8.370 nan 0.000 0.482 559 R N -0.181 120.326 120.500 0.011 0.000 2.939 559 R HA 0.432 4.773 4.340 0.001 0.000 0.254 559 R C -0.497 175.827 176.300 0.039 0.000 1.123 559 R CA -0.765 55.344 56.100 0.015 0.000 1.020 559 R CB 1.152 31.465 30.300 0.021 0.000 1.206 559 R HN -0.039 nan 8.270 nan 0.000 0.491 560 E N 1.881 122.117 120.200 0.061 0.000 2.044 560 E HA 0.117 4.467 4.350 0.001 0.000 0.282 560 E C -0.908 175.826 176.600 0.224 0.000 1.031 560 E CA -0.118 56.366 56.400 0.141 0.000 0.824 560 E CB 0.999 30.808 29.700 0.182 0.000 1.076 560 E HN 0.115 nan 8.360 nan 0.000 0.395 561 K N 2.996 123.475 120.400 0.132 0.000 2.110 561 K HA 0.463 4.783 4.320 0.001 0.000 0.263 561 K C -0.267 176.353 176.600 0.034 0.000 0.975 561 K CA -0.532 55.813 56.287 0.097 0.000 0.895 561 K CB 1.472 34.002 32.500 0.050 0.000 1.060 561 K HN 0.317 nan 8.250 nan 0.000 0.448 562 I N 3.531 124.094 120.570 -0.011 0.000 2.447 562 I HA 0.297 4.467 4.170 0.001 0.000 0.287 562 I C -0.478 175.596 176.117 -0.073 0.000 1.023 562 I CA -0.563 60.669 61.300 -0.115 0.000 1.083 562 I CB 1.565 39.399 38.000 -0.277 0.000 1.245 562 I HN 0.580 nan 8.210 nan 0.000 0.434 563 M N 5.693 125.245 119.600 -0.080 0.000 2.363 563 M HA 0.536 5.016 4.480 0.001 0.000 0.343 563 M C -0.651 175.601 176.300 -0.079 0.000 1.165 563 M CA -0.830 54.435 55.300 -0.059 0.000 1.046 563 M CB 2.431 34.995 32.600 -0.060 0.000 1.648 563 M HN 0.192 nan 8.290 nan 0.000 0.452 564 V N 4.656 124.539 119.914 -0.052 0.000 2.444 564 V HA 0.461 4.581 4.120 0.001 0.000 0.294 564 V C -0.451 175.629 176.094 -0.023 0.000 1.022 564 V CA -0.714 61.555 62.300 -0.053 0.000 0.850 564 V CB 1.747 33.552 31.823 -0.029 0.000 0.992 564 V HN 0.702 nan 8.190 nan 0.000 0.426 565 L N 4.624 125.834 121.223 -0.022 0.000 2.272 565 L HA 0.635 4.976 4.340 0.001 0.000 0.289 565 L C 1.125 178.002 176.870 0.010 0.000 1.032 565 L CA -0.211 54.621 54.840 -0.013 0.000 0.810 565 L CB 1.215 43.260 42.059 -0.025 0.000 1.205 565 L HN 0.774 nan 8.230 nan 0.000 0.422 566 G N 1.655 110.453 108.800 -0.004 0.000 2.570 566 G HA2 0.324 4.285 3.960 0.001 0.000 0.276 566 G HA3 0.324 4.285 3.960 0.001 0.000 0.276 566 G C 0.792 175.682 174.900 -0.016 0.000 1.346 566 G CA 0.157 45.256 45.100 -0.002 0.000 1.034 566 G HN 0.777 nan 8.290 nan 0.000 0.512 567 G N -1.902 106.885 108.800 -0.021 0.000 3.324 567 G HA2 0.537 4.498 3.960 0.001 0.000 0.251 567 G HA3 0.537 4.498 3.960 0.001 0.000 0.251 567 G C 0.918 175.785 174.900 -0.055 0.000 1.072 567 G CA 0.856 45.926 45.100 -0.051 0.000 0.787 567 G HN 1.869 nan 8.290 nan 0.000 0.537 568 G N 0.730 109.494 108.800 -0.059 0.000 2.525 568 G HA2 -0.170 3.791 3.960 0.001 0.000 0.248 568 G HA3 -0.170 3.791 3.960 0.001 0.000 0.248 568 G C -2.569 172.300 174.900 -0.051 0.000 1.238 568 G CA -0.294 44.769 45.100 -0.061 0.000 0.926 568 G HN 0.353 nan 8.290 nan 0.000 0.574 569 P HA 0.257 nan 4.420 nan 0.000 0.269 569 P C -0.079 177.204 177.300 -0.029 0.000 1.215 569 P CA -0.088 62.992 63.100 -0.034 0.000 0.780 569 P CB 0.181 31.864 31.700 -0.030 0.000 0.898 570 N N 1.610 120.294 118.700 -0.026 0.000 2.503 570 N HA 0.461 5.202 4.740 0.001 0.000 0.267 570 N C -0.001 175.498 175.510 -0.019 0.000 1.214 570 N CA -0.279 52.767 53.050 -0.007 0.000 0.959 570 N CB 0.492 38.981 38.487 0.002 0.000 1.142 570 N HN 0.323 nan 8.380 nan 0.000 0.455 571 R N 0.153 120.651 120.500 -0.003 0.000 2.766 571 R HA 0.439 4.780 4.340 0.001 0.000 0.270 571 R C -1.037 175.267 176.300 0.007 0.000 1.035 571 R CA -0.796 55.298 56.100 -0.009 0.000 0.911 571 R CB 0.771 31.059 30.300 -0.020 0.000 1.243 571 R HN 0.399 nan 8.270 nan 0.000 0.460 572 I N 1.959 122.531 120.570 0.003 0.000 2.662 572 I HA 0.149 4.319 4.170 0.001 0.000 0.285 572 I C 1.118 177.224 176.117 -0.019 0.000 1.161 572 I CA 1.753 63.051 61.300 -0.002 0.000 1.415 572 I CB 0.400 38.396 38.000 -0.007 0.000 1.385 572 I HN 0.981 nan 8.210 nan 0.000 0.552 573 G N 4.881 113.691 108.800 0.017 0.000 2.254 573 G HA2 -0.203 3.758 3.960 0.001 0.000 0.225 573 G HA3 -0.203 3.758 3.960 0.001 0.000 0.225 573 G C 0.345 175.350 174.900 0.175 0.000 1.003 573 G CA -0.445 44.685 45.100 0.051 0.000 0.622 573 G HN 0.533 nan 8.290 nan 0.000 0.507 574 Q N 1.294 121.169 119.800 0.125 0.000 2.943 574 Q HA 0.515 4.855 4.340 0.001 0.000 0.327 574 Q C 0.762 176.907 176.000 0.241 0.000 0.937 574 Q CA 0.346 56.228 55.803 0.132 0.000 0.914 574 Q CB 0.894 29.580 28.738 -0.088 0.000 1.339 574 Q HN 0.557 nan 8.270 nan 0.000 0.417 575 G N 0.263 109.267 108.800 0.340 0.000 2.574 575 G HA2 0.266 4.226 3.960 0.001 0.000 0.248 575 G HA3 0.266 4.226 3.960 0.001 0.000 0.248 575 G C 0.804 175.811 174.900 0.178 0.000 1.422 575 G CA -0.544 44.660 45.100 0.173 0.000 1.051 575 G HN 0.466 nan 8.290 nan 0.000 0.560 576 I N -0.308 120.299 120.570 0.063 0.000 2.335 576 I HA -0.156 4.015 4.170 0.001 0.000 0.251 576 I C 2.536 178.656 176.117 0.004 0.000 1.129 576 I CA 1.553 62.882 61.300 0.047 0.000 1.402 576 I CB -0.027 37.991 38.000 0.031 0.000 1.069 576 I HN 0.561 nan 8.210 nan 0.000 0.424 577 E N 0.566 120.671 120.200 -0.158 0.000 2.130 577 E HA -0.244 4.107 4.350 0.001 0.000 0.196 577 E C 1.798 178.184 176.600 -0.356 0.000 0.998 577 E CA 1.755 57.937 56.400 -0.363 0.000 0.806 577 E CB -0.385 28.949 29.700 -0.609 0.000 0.738 577 E HN 0.530 nan 8.360 nan 0.000 0.459 578 F N 0.432 120.382 119.950 0.001 0.000 2.187 578 F HA -0.018 4.509 4.527 0.001 0.000 0.295 578 F C 2.091 177.908 175.800 0.028 0.000 1.091 578 F CA 1.126 59.124 58.000 -0.003 0.000 1.308 578 F CB -0.588 38.410 39.000 -0.004 0.000 1.030 578 F HN -0.026 nan 8.300 nan 0.000 0.487 579 D N -0.838 119.686 120.400 0.206 0.000 2.104 579 D HA -0.292 4.348 4.640 0.001 0.000 0.194 579 D C 2.188 178.549 176.300 0.103 0.000 0.994 579 D CA 1.290 55.369 54.000 0.132 0.000 0.830 579 D CB -0.338 40.518 40.800 0.094 0.000 0.959 579 D HN 0.272 nan 8.370 nan 0.000 0.452 580 Y N 0.704 120.974 120.300 -0.049 0.000 2.069 580 Y HA -0.383 4.167 4.550 0.001 0.000 0.278 580 Y C 2.363 178.149 175.900 -0.192 0.000 1.175 580 Y CA 1.962 59.982 58.100 -0.133 0.000 1.134 580 Y CB -0.677 37.663 38.460 -0.201 0.000 0.965 580 Y HN 0.178 nan 8.280 nan 0.000 0.498 581 C N -0.741 118.575 119.300 0.025 0.000 2.413 581 C HA -0.264 4.196 4.460 0.001 0.000 0.276 581 C C 3.018 178.082 174.990 0.124 0.000 1.236 581 C CA 1.067 60.016 59.018 -0.114 0.000 1.735 581 C CB -1.758 25.743 27.740 -0.398 0.000 2.031 581 C HN 0.813 nan 8.230 nan 0.000 0.474 582 C N 0.063 119.484 119.300 0.202 0.000 2.413 582 C HA -0.109 4.351 4.460 0.001 0.000 0.276 582 C C 2.756 177.842 174.990 0.160 0.000 1.236 582 C CA 1.233 60.407 59.018 0.259 0.000 1.735 582 C CB -1.378 26.460 27.740 0.164 0.000 2.031 582 C HN 0.542 nan 8.230 nan 0.000 0.474 583 V N -0.008 119.951 119.914 0.075 0.000 2.252 583 V HA -0.315 3.806 4.120 0.001 0.000 0.249 583 V C 2.313 178.475 176.094 0.115 0.000 1.056 583 V CA 2.323 64.654 62.300 0.052 0.000 1.022 583 V CB -0.981 30.838 31.823 -0.008 0.000 0.641 583 V HN 0.659 nan 8.190 nan 0.000 0.445 584 H N -0.526 118.483 119.070 -0.102 0.000 2.353 584 H HA -0.227 4.330 4.556 0.001 0.000 0.298 584 H C 2.330 177.683 175.328 0.042 0.000 1.103 584 H CA 1.329 57.339 56.048 -0.063 0.000 1.293 584 H CB -0.052 29.663 29.762 -0.078 0.000 1.372 584 H HN 0.502 nan 8.280 nan 0.000 0.501 585 A N 0.277 123.254 122.820 0.262 0.000 1.883 585 A HA -0.233 4.087 4.320 0.001 0.000 0.217 585 A C 2.595 180.205 177.584 0.043 0.000 1.186 585 A CA 1.923 54.041 52.037 0.135 0.000 0.624 585 A CB -0.855 18.169 19.000 0.040 0.000 0.822 585 A HN 0.407 nan 8.150 nan 0.000 0.444 586 S N -0.379 115.351 115.700 0.049 0.000 2.348 586 S HA -0.131 4.340 4.470 0.001 0.000 0.221 586 S C 1.986 176.600 174.600 0.022 0.000 1.033 586 S CA 1.565 59.780 58.200 0.026 0.000 1.010 586 S CB -0.576 62.642 63.200 0.029 0.000 0.891 586 S HN 0.475 nan 8.310 nan 0.000 0.442 587 L N 1.171 122.398 121.223 0.007 0.000 2.042 587 L HA -0.127 4.213 4.340 0.001 0.000 0.210 587 L C 2.988 179.848 176.870 -0.017 0.000 1.076 587 L CA 1.367 56.193 54.840 -0.022 0.000 0.749 587 L CB -0.908 41.101 42.059 -0.084 0.000 0.893 587 L HN 0.440 nan 8.230 nan 0.000 0.432 588 A N 0.510 123.320 122.820 -0.016 0.000 1.835 588 A HA -0.164 4.156 4.320 0.001 0.000 0.215 588 A C 2.202 179.819 177.584 0.056 0.000 1.199 588 A CA 1.561 53.601 52.037 0.005 0.000 0.615 588 A CB -0.881 18.128 19.000 0.015 0.000 0.838 588 A HN 0.368 nan 8.150 nan 0.000 0.444 589 L N -1.055 120.210 121.223 0.070 0.000 2.275 589 L HA -0.122 4.218 4.340 0.001 0.000 0.215 589 L C 2.725 179.735 176.870 0.234 0.000 1.119 589 L CA 1.391 56.334 54.840 0.172 0.000 0.790 589 L CB -0.503 41.556 42.059 -0.000 0.000 0.919 589 L HN 0.497 nan 8.230 nan 0.000 0.443 590 R N 0.877 121.447 120.500 0.117 0.000 2.057 590 R HA -0.214 4.127 4.340 0.001 0.000 0.229 590 R C 2.251 178.588 176.300 0.061 0.000 1.136 590 R CA 1.672 57.826 56.100 0.091 0.000 0.952 590 R CB -0.047 30.284 30.300 0.052 0.000 0.848 590 R HN 0.225 nan 8.270 nan 0.000 0.430 591 E N 0.861 121.086 120.200 0.042 0.000 2.097 591 E HA -0.215 4.135 4.350 0.001 0.000 0.196 591 E C 1.128 177.740 176.600 0.019 0.000 1.000 591 E CA 2.100 58.512 56.400 0.020 0.000 0.804 591 E CB -0.245 29.460 29.700 0.008 0.000 0.740 591 E HN 0.322 nan 8.360 nan 0.000 0.454 592 D N -1.457 118.973 120.400 0.050 0.000 2.378 592 D HA 0.055 4.696 4.640 0.001 0.000 0.222 592 D C 1.096 177.355 176.300 -0.069 0.000 0.980 592 D CA 1.206 55.223 54.000 0.029 0.000 0.907 592 D CB 0.343 41.223 40.800 0.132 0.000 0.899 592 D HN 0.430 nan 8.370 nan 0.000 0.527 593 G N -1.245 107.519 108.800 -0.060 0.000 2.231 593 G HA2 -0.242 3.719 3.960 0.001 0.000 0.206 593 G HA3 -0.242 3.719 3.960 0.001 0.000 0.206 593 G C 0.030 174.819 174.900 -0.186 0.000 0.996 593 G CA -0.486 44.525 45.100 -0.149 0.000 0.645 593 G HN 0.248 nan 8.290 nan 0.000 0.498 594 Y N 1.247 121.543 120.300 -0.005 0.000 2.314 594 Y HA 0.509 5.059 4.550 0.001 0.000 0.334 594 Y C 0.949 176.848 175.900 -0.002 0.000 1.266 594 Y CA 0.011 58.108 58.100 -0.005 0.000 1.391 594 Y CB 0.669 39.124 38.460 -0.009 0.000 1.306 594 Y HN 0.194 nan 8.280 nan 0.000 0.558 595 E N 1.448 121.763 120.200 0.192 0.000 2.130 595 E HA 0.187 4.537 4.350 0.001 0.000 0.284 595 E C -0.913 175.753 176.600 0.110 0.000 1.018 595 E CA -0.565 55.900 56.400 0.110 0.000 0.817 595 E CB 0.528 30.273 29.700 0.075 0.000 1.078 595 E HN 0.659 nan 8.360 nan 0.000 0.396 596 T N 2.536 117.140 114.554 0.084 0.000 2.767 596 T HA 0.517 4.867 4.350 0.001 0.000 0.284 596 T C 0.020 174.753 174.700 0.055 0.000 0.973 596 T CA -0.733 61.401 62.100 0.057 0.000 0.996 596 T CB 0.476 69.371 68.868 0.046 0.000 0.927 596 T HN 0.324 nan 8.240 nan 0.000 0.456 597 I N 3.814 124.415 120.570 0.052 0.000 2.389 597 I HA 0.434 4.605 4.170 0.001 0.000 0.288 597 I C -0.211 175.948 176.117 0.069 0.000 0.999 597 I CA -0.937 60.415 61.300 0.087 0.000 1.129 597 I CB 1.840 39.904 38.000 0.108 0.000 1.288 597 I HN 0.614 nan 8.210 nan 0.000 0.444 598 M N 8.026 127.678 119.600 0.086 0.000 2.336 598 M HA 0.581 5.061 4.480 0.001 0.000 0.342 598 M C -1.465 174.885 176.300 0.084 0.000 1.128 598 M CA -0.318 55.015 55.300 0.056 0.000 1.016 598 M CB 1.595 34.214 32.600 0.032 0.000 1.665 598 M HN 0.278 nan 8.290 nan 0.000 0.445 599 V N 5.384 125.320 119.914 0.036 0.000 2.376 599 V HA 0.709 4.830 4.120 0.001 0.000 0.287 599 V C -0.652 175.418 176.094 -0.040 0.000 1.015 599 V CA -0.540 61.777 62.300 0.028 0.000 0.834 599 V CB 0.950 32.775 31.823 0.003 0.000 1.001 599 V HN 0.958 nan 8.190 nan 0.000 0.428 600 N N 2.601 121.233 118.700 -0.113 0.000 3.127 600 N HA 0.465 5.205 4.740 0.001 0.000 0.239 600 N C -0.489 174.697 175.510 -0.540 0.000 1.407 600 N CA -0.172 52.739 53.050 -0.231 0.000 0.891 600 N CB 1.867 40.242 38.487 -0.188 0.000 1.447 600 N HN 0.685 nan 8.380 nan 0.000 0.507 601 C N -0.064 118.924 119.300 -0.520 0.000 3.245 601 C HA 0.547 5.008 4.460 0.001 0.000 0.254 601 C C -0.112 174.668 174.990 -0.350 0.000 1.931 601 C CA -1.012 57.548 59.018 -0.762 0.000 1.726 601 C CB -1.639 25.977 27.740 -0.206 0.000 3.348 601 C HN 0.572 nan 8.230 nan 0.000 0.458 602 N N 2.847 121.369 118.700 -0.297 0.000 2.426 602 N HA 0.388 5.129 4.740 0.001 0.000 0.257 602 N C -1.305 174.192 175.510 -0.021 0.000 1.002 602 N CA -2.191 50.804 53.050 -0.091 0.000 0.942 602 N CB 1.888 40.323 38.487 -0.087 0.000 1.112 602 N HN 0.233 nan 8.380 nan 0.000 0.499 603 P HA -0.008 nan 4.420 nan 0.000 0.233 603 P C 0.260 177.502 177.300 -0.096 0.000 1.167 603 P CA 0.972 64.163 63.100 0.152 0.000 0.770 603 P CB 0.514 32.298 31.700 0.139 0.000 0.837 604 E N -0.137 120.001 120.200 -0.104 0.000 2.299 604 E HA -0.010 4.341 4.350 0.001 0.000 0.193 604 E C 0.804 177.305 176.600 -0.165 0.000 0.998 604 E CA 0.533 56.842 56.400 -0.151 0.000 0.851 604 E CB -0.155 29.486 29.700 -0.099 0.000 0.795 604 E HN 0.372 nan 8.360 nan 0.000 0.492 605 T N -2.221 112.246 114.554 -0.144 0.000 2.874 605 T HA 0.171 4.521 4.350 0.001 0.000 0.281 605 T C 1.297 175.952 174.700 -0.075 0.000 0.994 605 T CA -0.761 61.293 62.100 -0.076 0.000 1.015 605 T CB 1.825 70.666 68.868 -0.044 0.000 1.028 605 T HN -0.237 nan 8.240 nan 0.000 0.523 606 V N 1.699 121.644 119.914 0.052 0.000 2.667 606 V HA -0.117 4.004 4.120 0.001 0.000 0.252 606 V C 2.971 179.077 176.094 0.020 0.000 1.065 606 V CA 1.968 64.329 62.300 0.102 0.000 1.083 606 V CB -0.905 30.978 31.823 0.100 0.000 0.692 606 V HN 1.112 nan 8.190 nan 0.000 0.468 607 S N 0.721 116.416 115.700 -0.009 0.000 2.423 607 S HA -0.168 4.302 4.470 0.001 0.000 0.231 607 S C 1.792 176.357 174.600 -0.059 0.000 1.014 607 S CA 1.536 59.722 58.200 -0.024 0.000 0.965 607 S CB -0.688 62.501 63.200 -0.019 0.000 0.785 607 S HN 0.712 nan 8.310 nan 0.000 0.495 608 T N -1.226 113.272 114.554 -0.093 0.000 3.188 608 T HA 0.197 4.547 4.350 0.001 0.000 0.250 608 T C -0.002 174.627 174.700 -0.119 0.000 1.077 608 T CA -0.317 61.727 62.100 -0.093 0.000 0.967 608 T CB -0.276 68.540 68.868 -0.086 0.000 1.006 608 T HN 0.265 nan 8.240 nan 0.000 0.552 609 D N 1.361 121.690 120.400 -0.120 0.000 2.277 609 D HA 0.110 4.750 4.640 0.001 0.000 0.249 609 D C 1.153 177.310 176.300 -0.239 0.000 1.134 609 D CA -0.952 52.950 54.000 -0.164 0.000 0.863 609 D CB 0.849 41.634 40.800 -0.024 0.000 1.143 609 D HN 0.409 nan 8.370 nan 0.000 0.458 610 Y N 2.096 122.297 120.300 -0.167 0.000 2.241 610 Y HA -0.159 4.391 4.550 0.001 0.000 0.286 610 Y C 1.298 177.169 175.900 -0.048 0.000 1.166 610 Y CA 1.083 59.086 58.100 -0.161 0.000 1.203 610 Y CB -0.571 37.799 38.460 -0.150 0.000 0.977 610 Y HN 0.251 nan 8.280 nan 0.000 0.529 611 D N 0.087 120.392 120.400 -0.157 0.000 2.350 611 D HA -0.088 4.553 4.640 0.001 0.000 0.216 611 D C 1.650 177.943 176.300 -0.012 0.000 0.968 611 D CA 1.468 55.456 54.000 -0.021 0.000 0.894 611 D CB -0.218 40.521 40.800 -0.102 0.000 0.909 611 D HN 0.519 nan 8.370 nan 0.000 0.520 612 T N -0.400 114.136 114.554 -0.031 0.000 3.023 612 T HA 0.001 4.352 4.350 0.001 0.000 0.266 612 T C 1.084 175.790 174.700 0.011 0.000 1.093 612 T CA 0.468 62.562 62.100 -0.010 0.000 1.129 612 T CB 0.224 69.084 68.868 -0.014 0.000 0.899 612 T HN 0.210 nan 8.240 nan 0.000 0.491 613 S N -0.297 115.418 115.700 0.024 0.000 2.685 613 S HA 0.438 4.908 4.470 0.001 0.000 0.282 613 S C -0.078 174.551 174.600 0.047 0.000 1.159 613 S CA -0.940 57.281 58.200 0.035 0.000 0.833 613 S CB 1.704 64.926 63.200 0.036 0.000 1.151 613 S HN -0.111 nan 8.310 nan 0.000 0.485 614 D N 0.735 121.163 120.400 0.047 0.000 2.103 614 D HA 0.054 4.695 4.640 0.001 0.000 0.199 614 D C 0.223 176.545 176.300 0.038 0.000 0.978 614 D CA 1.231 55.258 54.000 0.045 0.000 0.829 614 D CB 0.081 40.908 40.800 0.045 0.000 0.981 614 D HN 0.455 nan 8.370 nan 0.000 0.464 615 R N 0.091 120.614 120.500 0.038 0.000 2.513 615 R HA 0.501 4.841 4.340 0.001 0.000 0.301 615 R C -1.105 175.209 176.300 0.023 0.000 0.968 615 R CA -0.767 55.334 56.100 0.002 0.000 0.872 615 R CB 2.357 32.655 30.300 -0.003 0.000 1.177 615 R HN -0.074 nan 8.270 nan 0.000 0.444 616 L N 3.018 124.235 121.223 -0.011 0.000 2.325 616 L HA 0.448 4.788 4.340 0.001 0.000 0.281 616 L C -1.675 175.243 176.870 0.079 0.000 1.004 616 L CA -0.457 54.425 54.840 0.070 0.000 0.823 616 L CB 0.901 42.998 42.059 0.063 0.000 1.236 616 L HN 0.520 nan 8.230 nan 0.000 0.415 617 Y N 5.357 125.741 120.300 0.140 0.000 2.478 617 Y HA 0.325 4.875 4.550 0.001 0.000 0.329 617 Y C -0.406 175.629 175.900 0.225 0.000 0.967 617 Y CA -0.284 57.923 58.100 0.178 0.000 1.255 617 Y CB 1.033 39.526 38.460 0.055 0.000 1.103 617 Y HN 0.555 nan 8.280 nan 0.000 0.497 618 F N 4.636 124.794 119.950 0.346 0.000 2.679 618 F HA 0.219 4.746 4.527 0.001 0.000 0.351 618 F C 0.080 176.021 175.800 0.236 0.000 1.279 618 F CA -0.032 58.137 58.000 0.281 0.000 1.227 618 F CB -0.337 38.882 39.000 0.366 0.000 1.623 618 F HN 0.419 nan 8.300 nan 0.000 0.666 619 E N 3.908 124.255 120.200 0.245 0.000 2.378 619 E HA 0.400 4.750 4.350 0.001 0.000 0.265 619 E C -2.658 174.001 176.600 0.098 0.000 0.932 619 E CA -2.348 54.190 56.400 0.229 0.000 0.795 619 E CB 1.404 31.249 29.700 0.241 0.000 1.296 619 E HN 0.063 nan 8.360 nan 0.000 0.438 620 P HA 0.054 nan 4.420 nan 0.000 0.271 620 P C -0.072 177.247 177.300 0.030 0.000 1.220 620 P CA -0.081 63.053 63.100 0.057 0.000 0.768 620 P CB 0.387 32.127 31.700 0.067 0.000 0.848 621 V N 3.848 123.762 119.914 -0.000 0.000 2.071 621 V HA 0.109 4.229 4.120 0.001 0.000 0.254 621 V C 0.995 177.086 176.094 -0.005 0.000 1.456 621 V CA 0.225 62.519 62.300 -0.010 0.000 1.383 621 V CB -1.351 30.454 31.823 -0.030 0.000 1.433 621 V HN 0.650 nan 8.190 nan 0.000 0.499 622 T N -0.620 113.939 114.554 0.009 0.000 2.942 622 T HA 0.540 4.891 4.350 0.001 0.000 0.289 622 T C 0.754 175.461 174.700 0.010 0.000 1.044 622 T CA -0.693 61.413 62.100 0.011 0.000 1.023 622 T CB 2.188 71.072 68.868 0.026 0.000 1.123 622 T HN 0.097 nan 8.240 nan 0.000 0.512 623 L N 0.816 122.044 121.223 0.008 0.000 2.012 623 L HA 0.002 4.342 4.340 0.001 0.000 0.210 623 L C 2.626 179.508 176.870 0.020 0.000 1.073 623 L CA 2.242 57.086 54.840 0.007 0.000 0.748 623 L CB -0.854 41.208 42.059 0.005 0.000 0.891 623 L HN 0.994 nan 8.230 nan 0.000 0.431 624 E N -0.685 119.535 120.200 0.033 0.000 2.023 624 E HA -0.266 4.085 4.350 0.001 0.000 0.196 624 E C 1.769 178.409 176.600 0.067 0.000 1.003 624 E CA 1.822 58.255 56.400 0.054 0.000 0.809 624 E CB -0.178 29.560 29.700 0.064 0.000 0.755 624 E HN 0.620 nan 8.360 nan 0.000 0.449 625 D N -0.045 120.394 120.400 0.066 0.000 2.144 625 D HA -0.126 4.514 4.640 0.001 0.000 0.200 625 D C 2.100 178.424 176.300 0.041 0.000 0.978 625 D CA 0.915 54.963 54.000 0.080 0.000 0.833 625 D CB 0.076 40.932 40.800 0.092 0.000 0.961 625 D HN 0.150 nan 8.370 nan 0.000 0.470 626 V N 1.407 121.327 119.914 0.010 0.000 2.453 626 V HA -0.157 3.963 4.120 0.001 0.000 0.247 626 V C 2.596 178.665 176.094 -0.041 0.000 1.048 626 V CA 0.838 63.119 62.300 -0.032 0.000 1.049 626 V CB -0.275 31.528 31.823 -0.033 0.000 0.672 626 V HN 0.175 nan 8.190 nan 0.000 0.457 627 L N -0.516 120.702 121.223 -0.007 0.000 2.141 627 L HA -0.114 4.226 4.340 0.001 0.000 0.209 627 L C 2.674 179.546 176.870 0.004 0.000 1.094 627 L CA 1.136 55.974 54.840 -0.003 0.000 0.763 627 L CB -0.517 41.554 42.059 0.020 0.000 0.908 627 L HN 0.314 nan 8.230 nan 0.000 0.437 628 E N 0.247 120.472 120.200 0.041 0.000 2.150 628 E HA -0.132 4.219 4.350 0.001 0.000 0.193 628 E C 2.242 178.860 176.600 0.030 0.000 0.985 628 E CA 1.091 57.541 56.400 0.082 0.000 0.814 628 E CB -0.028 29.768 29.700 0.161 0.000 0.752 628 E HN 0.532 nan 8.360 nan 0.000 0.466 629 I N 0.137 120.653 120.570 -0.089 0.000 2.439 629 I HA -0.172 3.998 4.170 0.001 0.000 0.251 629 I C 2.238 178.194 176.117 -0.269 0.000 1.139 629 I CA 0.413 61.493 61.300 -0.366 0.000 1.438 629 I CB 0.006 37.644 38.000 -0.604 0.000 1.085 629 I HN -0.080 nan 8.210 nan 0.000 0.427 630 V N 0.919 120.737 119.914 -0.159 0.000 2.453 630 V HA -0.218 3.902 4.120 0.001 0.000 0.247 630 V C 2.623 178.668 176.094 -0.082 0.000 1.048 630 V CA 1.559 63.793 62.300 -0.111 0.000 1.049 630 V CB -0.669 31.107 31.823 -0.078 0.000 0.672 630 V HN 0.409 nan 8.190 nan 0.000 0.457 631 R N 0.782 121.240 120.500 -0.071 0.000 2.096 631 R HA -0.199 4.142 4.340 0.001 0.000 0.240 631 R C 2.302 178.560 176.300 -0.069 0.000 1.139 631 R CA 2.574 58.633 56.100 -0.068 0.000 0.952 631 R CB -0.348 29.902 30.300 -0.083 0.000 0.854 631 R HN 0.696 nan 8.270 nan 0.000 0.436 632 I N -2.243 118.285 120.570 -0.069 0.000 2.703 632 I HA 0.038 4.209 4.170 0.001 0.000 0.259 632 I C 1.424 177.511 176.117 -0.050 0.000 1.151 632 I CA 0.738 62.009 61.300 -0.049 0.000 1.470 632 I CB -0.136 37.858 38.000 -0.011 0.000 1.112 632 I HN 0.002 nan 8.210 nan 0.000 0.437 633 E N 1.989 122.140 120.200 -0.082 0.000 2.112 633 E HA -0.076 4.275 4.350 0.001 0.000 0.190 633 E C 0.382 176.962 176.600 -0.033 0.000 0.979 633 E CA 0.445 56.814 56.400 -0.052 0.000 0.814 633 E CB -0.105 29.550 29.700 -0.075 0.000 0.762 633 E HN 0.490 nan 8.360 nan 0.000 0.460 634 K N 0.853 121.227 120.400 -0.043 0.000 3.257 634 K HA -0.147 4.174 4.320 0.001 0.000 0.270 634 K C -2.357 174.232 176.600 -0.019 0.000 0.984 634 K CA 0.278 56.548 56.287 -0.029 0.000 0.739 634 K CB -1.192 31.297 32.500 -0.020 0.000 1.351 634 K HN 0.235 nan 8.250 nan 0.000 0.463 635 P HA -0.059 nan 4.420 nan 0.000 0.274 635 P C 0.335 177.628 177.300 -0.013 0.000 1.264 635 P CA -0.080 63.010 63.100 -0.017 0.000 0.795 635 P CB 0.734 32.413 31.700 -0.035 0.000 1.064 636 K N -1.005 119.392 120.400 -0.005 0.000 2.211 636 K HA 0.174 4.495 4.320 0.001 0.000 0.201 636 K C 0.700 177.281 176.600 -0.032 0.000 1.052 636 K CA 0.784 57.071 56.287 -0.001 0.000 0.973 636 K CB -0.026 32.497 32.500 0.038 0.000 0.766 636 K HN 0.718 nan 8.250 nan 0.000 0.466 637 G N 0.013 108.776 108.800 -0.062 0.000 2.732 637 G HA2 0.425 4.385 3.960 0.001 0.000 0.296 637 G HA3 0.425 4.385 3.960 0.001 0.000 0.296 637 G C -1.888 172.952 174.900 -0.100 0.000 1.448 637 G CA -0.621 44.428 45.100 -0.086 0.000 0.911 637 G HN -0.064 nan 8.290 nan 0.000 0.528 638 V N 1.727 121.585 119.914 -0.093 0.000 2.540 638 V HA 0.520 4.640 4.120 0.001 0.000 0.302 638 V C -0.139 175.887 176.094 -0.113 0.000 1.035 638 V CA -0.661 61.582 62.300 -0.095 0.000 0.873 638 V CB 1.716 33.496 31.823 -0.072 0.000 0.992 638 V HN 0.656 nan 8.190 nan 0.000 0.428 639 I N 4.853 125.341 120.570 -0.137 0.000 2.312 639 I HA 0.263 4.434 4.170 0.001 0.000 0.290 639 I C 0.851 176.902 176.117 -0.109 0.000 1.008 639 I CA -0.237 60.958 61.300 -0.175 0.000 1.226 639 I CB 1.784 39.593 38.000 -0.319 0.000 1.371 639 I HN 0.616 nan 8.210 nan 0.000 0.468 640 V N 2.031 121.902 119.914 -0.072 0.000 3.661 640 V HA 0.090 4.211 4.120 0.001 0.000 0.271 640 V C 1.287 177.394 176.094 0.021 0.000 1.315 640 V CA 0.308 62.592 62.300 -0.027 0.000 1.072 640 V CB -0.099 31.706 31.823 -0.029 0.000 0.830 640 V HN 0.745 nan 8.190 nan 0.000 0.443 641 Q N -0.512 119.319 119.800 0.051 0.000 2.482 641 Q HA 0.190 4.530 4.340 0.001 0.000 0.209 641 Q C 1.198 177.442 176.000 0.405 0.000 0.961 641 Q CA 0.945 56.850 55.803 0.170 0.000 0.945 641 Q CB -0.199 28.643 28.738 0.174 0.000 1.012 641 Q HN 0.767 nan 8.270 nan 0.000 0.515 642 Y N -1.703 118.623 120.300 0.044 0.000 2.481 642 Y HA 0.384 4.934 4.550 0.001 0.000 0.247 642 Y C 1.708 177.692 175.900 0.139 0.000 1.151 642 Y CA -0.389 57.775 58.100 0.106 0.000 1.238 642 Y CB 0.666 39.173 38.460 0.078 0.000 1.179 642 Y HN 0.077 nan 8.280 nan 0.000 0.524 643 G N -0.780 108.133 108.800 0.189 0.000 3.337 643 G HA2 0.446 4.406 3.960 0.001 0.000 0.246 643 G HA3 0.446 4.406 3.960 0.001 0.000 0.246 643 G C 0.874 175.679 174.900 -0.158 0.000 1.131 643 G CA 0.397 45.545 45.100 0.080 0.000 0.773 643 G HN 0.548 nan 8.290 nan 0.000 0.544 644 G N 0.106 108.711 108.800 -0.325 0.000 2.484 644 G HA2 -0.257 3.704 3.960 0.001 0.000 0.225 644 G HA3 -0.257 3.704 3.960 0.001 0.000 0.225 644 G C 0.738 175.422 174.900 -0.360 0.000 1.250 644 G CA 0.197 44.844 45.100 -0.754 0.000 0.926 644 G HN 0.087 nan 8.290 nan 0.000 0.581 645 Q N -0.304 119.287 119.800 -0.348 0.000 2.119 645 Q HA -0.022 4.319 4.340 0.001 0.000 0.201 645 Q C 2.964 178.882 176.000 -0.136 0.000 0.972 645 Q CA 2.286 57.971 55.803 -0.198 0.000 0.847 645 Q CB -1.002 27.632 28.738 -0.174 0.000 0.903 645 Q HN 0.708 nan 8.270 nan 0.000 0.433 646 T N 1.938 116.409 114.554 -0.139 0.000 2.607 646 T HA -0.133 4.218 4.350 0.001 0.000 0.267 646 T C -1.055 173.605 174.700 -0.068 0.000 1.049 646 T CA 1.986 64.032 62.100 -0.090 0.000 1.162 646 T CB -1.110 67.709 68.868 -0.082 0.000 0.863 646 T HN 0.279 nan 8.240 nan 0.000 0.424 647 P HA 0.108 nan 4.420 nan 0.000 0.222 647 P C 1.669 178.944 177.300 -0.041 0.000 1.153 647 P CA 0.527 63.601 63.100 -0.043 0.000 0.798 647 P CB -0.154 31.529 31.700 -0.028 0.000 0.796 648 L N 0.220 121.412 121.223 -0.053 0.000 2.017 648 L HA -0.107 4.234 4.340 0.001 0.000 0.208 648 L C 2.443 179.289 176.870 -0.041 0.000 1.073 648 L CA 1.979 56.792 54.840 -0.044 0.000 0.745 648 L CB -0.769 41.255 42.059 -0.059 0.000 0.894 648 L HN -0.213 nan 8.230 nan 0.000 0.432 649 K N -0.814 119.558 120.400 -0.047 0.000 2.152 649 K HA -0.155 4.166 4.320 0.001 0.000 0.206 649 K C 1.947 178.529 176.600 -0.030 0.000 1.048 649 K CA 1.286 57.549 56.287 -0.040 0.000 0.933 649 K CB -0.169 32.305 32.500 -0.044 0.000 0.721 649 K HN 0.349 nan 8.250 nan 0.000 0.447 650 L N -0.157 121.048 121.223 -0.030 0.000 2.240 650 L HA -0.048 4.292 4.340 0.001 0.000 0.211 650 L C 2.448 179.305 176.870 -0.022 0.000 1.106 650 L CA 0.434 55.260 54.840 -0.024 0.000 0.793 650 L CB -0.577 41.467 42.059 -0.025 0.000 0.927 650 L HN 0.178 nan 8.230 nan 0.000 0.446 651 A N 0.805 123.611 122.820 -0.023 0.000 1.896 651 A HA -0.320 4.000 4.320 0.001 0.000 0.220 651 A C 2.397 179.970 177.584 -0.017 0.000 1.206 651 A CA 2.240 54.264 52.037 -0.021 0.000 0.647 651 A CB -0.604 18.384 19.000 -0.021 0.000 0.828 651 A HN 0.332 nan 8.150 nan 0.000 0.455 652 R N -1.092 119.399 120.500 -0.015 0.000 2.070 652 R HA -0.084 4.256 4.340 0.001 0.000 0.232 652 R C 2.594 178.887 176.300 -0.010 0.000 1.138 652 R CA 1.432 57.525 56.100 -0.011 0.000 0.936 652 R CB -0.516 29.779 30.300 -0.009 0.000 0.839 652 R HN 0.539 nan 8.270 nan 0.000 0.429 653 A N 0.903 123.717 122.820 -0.011 0.000 1.940 653 A HA -0.164 4.156 4.320 0.001 0.000 0.219 653 A C 2.165 179.744 177.584 -0.009 0.000 1.176 653 A CA 1.305 53.337 52.037 -0.009 0.000 0.631 653 A CB -0.601 18.394 19.000 -0.008 0.000 0.814 653 A HN 0.212 nan 8.150 nan 0.000 0.446 654 L N -0.888 120.327 121.223 -0.013 0.000 1.994 654 L HA -0.235 4.105 4.340 0.001 0.000 0.208 654 L C 2.678 179.539 176.870 -0.015 0.000 1.071 654 L CA 2.014 56.845 54.840 -0.016 0.000 0.745 654 L CB -0.608 41.438 42.059 -0.022 0.000 0.892 654 L HN 0.617 nan 8.230 nan 0.000 0.431 655 E N 0.354 120.545 120.200 -0.015 0.000 2.130 655 E HA -0.284 4.067 4.350 0.001 0.000 0.196 655 E C 2.118 178.712 176.600 -0.009 0.000 0.998 655 E CA 1.390 57.782 56.400 -0.014 0.000 0.806 655 E CB -0.037 29.655 29.700 -0.012 0.000 0.738 655 E HN 0.474 nan 8.360 nan 0.000 0.459 656 A N 0.729 123.545 122.820 -0.008 0.000 2.014 656 A HA 0.083 4.404 4.320 0.001 0.000 0.218 656 A C 2.230 179.811 177.584 -0.004 0.000 1.163 656 A CA 1.243 53.277 52.037 -0.005 0.000 0.652 656 A CB -0.390 18.607 19.000 -0.004 0.000 0.808 656 A HN 0.380 nan 8.150 nan 0.000 0.449 657 A N -1.732 121.085 122.820 -0.005 0.000 2.235 657 A HA 0.412 4.732 4.320 0.001 0.000 0.208 657 A C 1.675 179.256 177.584 -0.005 0.000 1.172 657 A CA 1.202 53.237 52.037 -0.003 0.000 0.786 657 A CB -0.868 18.131 19.000 -0.002 0.000 0.804 657 A HN 1.791 nan 8.150 nan 0.000 0.479 658 G N -1.956 106.840 108.800 -0.008 0.000 2.179 658 G HA2 -0.180 3.781 3.960 0.001 0.000 0.220 658 G HA3 -0.180 3.781 3.960 0.001 0.000 0.220 658 G C 0.163 175.054 174.900 -0.015 0.000 0.990 658 G CA -0.012 45.082 45.100 -0.010 0.000 0.646 658 G HN 0.675 nan 8.290 nan 0.000 0.517 659 V N 2.603 122.506 119.914 -0.018 0.000 2.614 659 V HA 0.375 4.495 4.120 0.001 0.000 0.291 659 V C -1.179 174.900 176.094 -0.026 0.000 1.049 659 V CA -0.654 61.630 62.300 -0.025 0.000 1.038 659 V CB 1.321 33.126 31.823 -0.031 0.000 0.980 659 V HN 0.196 nan 8.190 nan 0.000 0.481 660 P HA 0.131 nan 4.420 nan 0.000 0.237 660 P C -0.299 176.976 177.300 -0.041 0.000 1.788 660 P CA -0.081 63.001 63.100 -0.030 0.000 1.061 660 P CB -0.057 31.625 31.700 -0.030 0.000 1.967 661 V N 4.574 124.466 119.914 -0.038 0.000 2.485 661 V HA 0.015 4.135 4.120 0.001 0.000 0.287 661 V C 1.261 177.326 176.094 -0.049 0.000 1.022 661 V CA 0.066 62.339 62.300 -0.045 0.000 1.067 661 V CB -0.213 31.589 31.823 -0.036 0.000 0.967 661 V HN 0.321 nan 8.190 nan 0.000 0.479 662 I N 2.587 123.116 120.570 -0.069 0.000 2.924 662 I HA 1.019 5.190 4.170 0.001 0.000 0.316 662 I C 0.756 176.832 176.117 -0.067 0.000 1.014 662 I CA -0.121 61.138 61.300 -0.069 0.000 1.106 662 I CB 1.419 39.363 38.000 -0.092 0.000 1.311 662 I HN 0.840 nan 8.210 nan 0.000 0.502 663 G N 2.095 110.864 108.800 -0.053 0.000 2.593 663 G HA2 -0.197 3.763 3.960 0.001 0.000 0.237 663 G HA3 -0.197 3.763 3.960 0.001 0.000 0.237 663 G C -0.112 174.779 174.900 -0.016 0.000 1.312 663 G CA -0.260 44.819 45.100 -0.036 0.000 0.896 663 G HN 0.973 nan 8.290 nan 0.000 0.574 664 T N 1.007 115.559 114.554 -0.002 0.000 2.800 664 T HA 0.354 4.704 4.350 0.001 0.000 0.283 664 T C 1.179 175.879 174.700 -0.000 0.000 0.999 664 T CA 1.114 63.216 62.100 0.004 0.000 1.176 664 T CB 0.534 69.409 68.868 0.012 0.000 0.973 664 T HN 1.550 nan 8.240 nan 0.000 0.519 665 S N 4.661 120.362 115.700 0.002 0.000 2.566 665 S HA 0.076 4.547 4.470 0.001 0.000 0.280 665 S C -1.121 173.479 174.600 -0.001 0.000 1.343 665 S CA -1.312 56.888 58.200 -0.000 0.000 1.036 665 S CB 0.474 63.678 63.200 0.006 0.000 0.866 665 S HN 0.369 nan 8.310 nan 0.000 0.526 666 P HA -0.101 nan 4.420 nan 0.000 0.215 666 P C 0.980 178.279 177.300 -0.001 0.000 1.157 666 P CA 1.495 64.591 63.100 -0.006 0.000 0.874 666 P CB -0.077 31.618 31.700 -0.008 0.000 0.790 667 D N -0.874 119.529 120.400 0.004 0.000 2.117 667 D HA -0.157 4.484 4.640 0.001 0.000 0.197 667 D C 1.931 178.240 176.300 0.016 0.000 0.987 667 D CA 1.482 55.488 54.000 0.011 0.000 0.829 667 D CB -0.582 40.226 40.800 0.012 0.000 0.961 667 D HN -0.036 nan 8.370 nan 0.000 0.460 668 A N 0.144 122.974 122.820 0.016 0.000 1.908 668 A HA -0.157 4.163 4.320 0.001 0.000 0.218 668 A C 2.359 179.951 177.584 0.013 0.000 1.181 668 A CA 1.375 53.426 52.037 0.022 0.000 0.627 668 A CB -0.873 18.140 19.000 0.021 0.000 0.818 668 A HN 0.393 nan 8.150 nan 0.000 0.445 669 I N -0.263 120.307 120.570 0.001 0.000 2.179 669 I HA -0.269 3.901 4.170 0.001 0.000 0.242 669 I C 2.287 178.391 176.117 -0.022 0.000 1.088 669 I CA 1.993 63.284 61.300 -0.016 0.000 1.357 669 I CB -0.504 37.486 38.000 -0.016 0.000 1.051 669 I HN 0.466 nan 8.210 nan 0.000 0.409 670 D N 0.751 121.147 120.400 -0.007 0.000 2.178 670 D HA -0.214 4.427 4.640 0.001 0.000 0.201 670 D C 2.313 178.623 176.300 0.017 0.000 0.980 670 D CA 1.167 55.167 54.000 -0.001 0.000 0.842 670 D CB 0.021 40.824 40.800 0.006 0.000 0.948 670 D HN 0.087 nan 8.370 nan 0.000 0.472 671 R N -0.560 119.960 120.500 0.033 0.000 2.096 671 R HA -0.059 4.281 4.340 0.001 0.000 0.235 671 R C 2.151 178.510 176.300 0.098 0.000 1.127 671 R CA 1.324 57.469 56.100 0.076 0.000 0.968 671 R CB -0.159 30.192 30.300 0.084 0.000 0.861 671 R HN 0.261 nan 8.270 nan 0.000 0.440 672 A N 0.511 123.333 122.820 0.003 0.000 1.903 672 A HA -0.065 4.255 4.320 0.001 0.000 0.213 672 A C 1.830 179.232 177.584 -0.303 0.000 1.185 672 A CA 0.810 52.737 52.037 -0.184 0.000 0.628 672 A CB -0.132 18.731 19.000 -0.229 0.000 0.830 672 A HN 0.172 nan 8.150 nan 0.000 0.446 673 E N 0.959 121.065 120.200 -0.155 0.000 2.031 673 E HA -0.136 4.214 4.350 0.001 0.000 0.193 673 E C 0.440 177.002 176.600 -0.064 0.000 0.994 673 E CA 0.575 56.898 56.400 -0.128 0.000 0.800 673 E CB -0.638 29.014 29.700 -0.079 0.000 0.752 673 E HN 0.653 nan 8.360 nan 0.000 0.447 674 D N 1.620 122.017 120.400 -0.004 0.000 2.472 674 D HA -0.098 4.542 4.640 0.001 0.000 0.248 674 D C 1.335 177.694 176.300 0.099 0.000 1.174 674 D CA -0.047 53.978 54.000 0.042 0.000 0.883 674 D CB 0.724 41.558 40.800 0.056 0.000 1.149 674 D HN 0.027 nan 8.370 nan 0.000 0.488 675 R N 4.379 124.930 120.500 0.084 0.000 2.094 675 R HA -0.219 4.122 4.340 0.001 0.000 0.239 675 R C 1.625 178.000 176.300 0.126 0.000 1.137 675 R CA 1.217 57.389 56.100 0.120 0.000 0.943 675 R CB -0.809 29.530 30.300 0.067 0.000 0.850 675 R HN 0.568 nan 8.270 nan 0.000 0.433 676 E N 0.345 120.590 120.200 0.074 0.000 2.058 676 E HA -0.117 4.234 4.350 0.001 0.000 0.194 676 E C 2.408 179.065 176.600 0.094 0.000 0.997 676 E CA 1.007 57.428 56.400 0.035 0.000 0.801 676 E CB -0.033 29.685 29.700 0.029 0.000 0.746 676 E HN 0.271 nan 8.360 nan 0.000 0.450 677 R N -0.229 120.370 120.500 0.165 0.000 2.081 677 R HA -0.128 4.212 4.340 0.001 0.000 0.235 677 R C 2.297 178.745 176.300 0.248 0.000 1.131 677 R CA 0.954 57.176 56.100 0.204 0.000 0.960 677 R CB -0.455 29.935 30.300 0.150 0.000 0.856 677 R HN 0.193 nan 8.270 nan 0.000 0.436 678 F N 2.109 122.092 119.950 0.055 0.000 2.039 678 F HA -0.233 4.295 4.527 0.001 0.000 0.294 678 F C 2.684 178.513 175.800 0.048 0.000 1.130 678 F CA 1.932 59.956 58.000 0.039 0.000 1.189 678 F CB -0.912 38.096 39.000 0.013 0.000 0.983 678 F HN 0.006 nan 8.300 nan 0.000 0.471 679 Q N -0.877 118.888 119.800 -0.059 0.000 2.133 679 Q HA -0.317 4.023 4.340 0.001 0.000 0.208 679 Q C 2.228 178.162 176.000 -0.111 0.000 0.991 679 Q CA 2.256 57.950 55.803 -0.181 0.000 0.867 679 Q CB -0.584 28.090 28.738 -0.107 0.000 0.911 679 Q HN 0.485 nan 8.270 nan 0.000 0.417 680 H N -0.738 118.291 119.070 -0.068 0.000 2.423 680 H HA 0.017 4.573 4.556 0.001 0.000 0.297 680 H C 1.762 177.057 175.328 -0.056 0.000 1.075 680 H CA 1.456 57.478 56.048 -0.043 0.000 1.342 680 H CB -0.145 29.615 29.762 -0.002 0.000 1.395 680 H HN 0.491 nan 8.280 nan 0.000 0.530 681 A N -0.213 122.644 122.820 0.061 0.000 1.903 681 A HA -0.023 4.298 4.320 0.001 0.000 0.213 681 A C 2.773 180.314 177.584 -0.073 0.000 1.185 681 A CA 0.972 53.015 52.037 0.011 0.000 0.628 681 A CB -0.648 18.393 19.000 0.070 0.000 0.830 681 A HN 0.207 nan 8.150 nan 0.000 0.446 682 V N 0.645 120.420 119.914 -0.232 0.000 2.324 682 V HA -0.339 3.782 4.120 0.001 0.000 0.250 682 V C 2.426 178.446 176.094 -0.123 0.000 1.060 682 V CA 2.519 64.660 62.300 -0.264 0.000 1.042 682 V CB -0.935 30.609 31.823 -0.464 0.000 0.650 682 V HN 0.660 nan 8.190 nan 0.000 0.450 683 E N -0.024 120.126 120.200 -0.083 0.000 2.023 683 E HA -0.284 4.066 4.350 0.001 0.000 0.196 683 E C 2.410 179.000 176.600 -0.015 0.000 1.003 683 E CA 1.534 57.916 56.400 -0.030 0.000 0.809 683 E CB -0.385 29.329 29.700 0.023 0.000 0.755 683 E HN 0.492 nan 8.360 nan 0.000 0.449 684 R N 1.095 121.593 120.500 -0.003 0.000 2.154 684 R HA -0.198 4.143 4.340 0.001 0.000 0.248 684 R C 1.918 178.215 176.300 -0.005 0.000 1.155 684 R CA 1.367 57.464 56.100 -0.004 0.000 0.979 684 R CB -0.229 30.067 30.300 -0.006 0.000 0.869 684 R HN 0.221 nan 8.270 nan 0.000 0.452 685 L N 0.380 121.597 121.223 -0.010 0.000 2.529 685 L HA 0.130 4.470 4.340 0.001 0.000 0.223 685 L C 0.086 176.951 176.870 -0.008 0.000 1.113 685 L CA 0.145 54.985 54.840 -0.001 0.000 0.861 685 L CB 0.074 42.138 42.059 0.008 0.000 1.012 685 L HN 0.110 nan 8.230 nan 0.000 0.461 686 K N 0.903 121.290 120.400 -0.020 0.000 4.361 686 K HA -0.177 4.144 4.320 0.001 0.000 0.294 686 K C -0.942 175.639 176.600 -0.031 0.000 0.970 686 K CA 0.156 56.428 56.287 -0.026 0.000 0.913 686 K CB -1.011 31.477 32.500 -0.021 0.000 1.583 686 K HN -0.004 nan 8.250 nan 0.000 0.438 687 L N 0.310 121.508 121.223 -0.042 0.000 2.250 687 L HA 0.486 4.827 4.340 0.001 0.000 0.252 687 L C 0.093 176.924 176.870 -0.065 0.000 1.054 687 L CA -0.666 54.148 54.840 -0.043 0.000 0.856 687 L CB 1.340 43.389 42.059 -0.016 0.000 1.443 687 L HN 0.086 nan 8.230 nan 0.000 0.427 688 K N 1.519 121.874 120.400 -0.075 0.000 2.248 688 K HA 0.390 4.710 4.320 0.001 0.000 0.281 688 K C -0.950 175.654 176.600 0.007 0.000 1.054 688 K CA -0.217 56.010 56.287 -0.101 0.000 0.903 688 K CB 1.137 33.442 32.500 -0.324 0.000 1.077 688 K HN 0.468 nan 8.250 nan 0.000 0.474 689 Q N 3.387 123.214 119.800 0.044 0.000 2.372 689 Q HA 0.390 4.731 4.340 0.001 0.000 0.273 689 Q C -2.496 173.594 176.000 0.150 0.000 1.078 689 Q CA -2.073 53.777 55.803 0.077 0.000 0.806 689 Q CB 2.244 30.962 28.738 -0.033 0.000 1.332 689 Q HN 0.305 nan 8.270 nan 0.000 0.435 690 P HA 0.127 nan 4.420 nan 0.000 0.271 690 P C -1.299 176.056 177.300 0.091 0.000 1.218 690 P CA -0.173 63.018 63.100 0.150 0.000 0.780 690 P CB 0.640 32.395 31.700 0.092 0.000 0.901 691 A N 3.201 126.068 122.820 0.079 0.000 2.546 691 A HA 0.283 4.604 4.320 0.001 0.000 0.243 691 A C 0.548 178.154 177.584 0.036 0.000 1.063 691 A CA 0.248 52.303 52.037 0.030 0.000 0.757 691 A CB -1.036 17.954 19.000 -0.016 0.000 0.991 691 A HN 0.791 nan 8.150 nan 0.000 0.503 692 N N 0.409 119.116 118.700 0.012 0.000 3.102 692 N HA 0.870 5.611 4.740 0.001 0.000 0.299 692 N C -0.788 174.717 175.510 -0.008 0.000 1.482 692 N CA -0.327 52.727 53.050 0.007 0.000 0.785 692 N CB 1.702 40.197 38.487 0.013 0.000 1.680 692 N HN 1.055 nan 8.380 nan 0.000 0.594 693 A N -1.009 121.808 122.820 -0.005 0.000 2.586 693 A HA 0.655 4.975 4.320 0.001 0.000 0.291 693 A C -1.705 175.883 177.584 0.006 0.000 1.062 693 A CA -0.773 51.260 52.037 -0.006 0.000 0.666 693 A CB 1.161 20.154 19.000 -0.011 0.000 1.281 693 A HN 0.587 nan 8.150 nan 0.000 0.421 694 T N 1.286 115.845 114.554 0.008 0.000 2.842 694 T HA 0.555 4.906 4.350 0.001 0.000 0.308 694 T C -0.452 174.266 174.700 0.030 0.000 1.041 694 T CA -0.275 61.837 62.100 0.021 0.000 0.964 694 T CB 0.835 69.710 68.868 0.011 0.000 0.972 694 T HN 0.655 nan 8.240 nan 0.000 0.460 695 V N 2.904 122.852 119.914 0.055 0.000 2.966 695 V HA 0.464 4.584 4.120 0.001 0.000 0.317 695 V C 0.961 177.106 176.094 0.084 0.000 1.070 695 V CA -0.382 61.957 62.300 0.064 0.000 1.008 695 V CB 2.129 34.002 31.823 0.082 0.000 1.070 695 V HN 0.941 nan 8.190 nan 0.000 0.457 696 T N 0.851 115.447 114.554 0.070 0.000 3.114 696 T HA 0.398 4.749 4.350 0.001 0.000 0.240 696 T C 0.378 175.138 174.700 0.100 0.000 0.983 696 T CA 0.733 62.878 62.100 0.074 0.000 1.151 696 T CB 0.530 69.423 68.868 0.042 0.000 0.974 696 T HN 0.778 nan 8.240 nan 0.000 0.442 697 A N 0.216 123.069 122.820 0.055 0.000 2.313 697 A HA 0.702 5.022 4.320 0.001 0.000 0.323 697 A C 0.786 178.312 177.584 -0.096 0.000 1.133 697 A CA -0.570 51.482 52.037 0.025 0.000 0.847 697 A CB 0.401 19.398 19.000 -0.004 0.000 1.308 697 A HN 0.125 nan 8.150 nan 0.000 0.475 698 I N 0.683 121.130 120.570 -0.205 0.000 2.032 698 I HA -0.230 3.940 4.170 0.001 0.000 0.231 698 I C 2.275 178.152 176.117 -0.400 0.000 1.035 698 I CA 1.881 62.840 61.300 -0.569 0.000 1.312 698 I CB -0.698 37.075 38.000 -0.379 0.000 1.041 698 I HN 0.746 nan 8.210 nan 0.000 0.390 699 E N 0.044 120.115 120.200 -0.215 0.000 2.284 699 E HA -0.303 4.048 4.350 0.001 0.000 0.200 699 E C 2.156 178.693 176.600 -0.105 0.000 1.008 699 E CA 1.406 57.726 56.400 -0.133 0.000 0.829 699 E CB -0.564 29.089 29.700 -0.078 0.000 0.744 699 E HN 0.544 nan 8.360 nan 0.000 0.491 700 M N 0.542 120.080 119.600 -0.104 0.000 2.065 700 M HA -0.186 4.295 4.480 0.001 0.000 0.259 700 M C 2.285 178.546 176.300 -0.065 0.000 1.069 700 M CA 2.012 57.274 55.300 -0.063 0.000 1.110 700 M CB -0.082 32.492 32.600 -0.043 0.000 1.328 700 M HN 0.134 nan 8.290 nan 0.000 0.405 701 A N -0.843 121.912 122.820 -0.107 0.000 1.929 701 A HA -0.076 4.245 4.320 0.001 0.000 0.216 701 A C 1.981 179.519 177.584 -0.078 0.000 1.176 701 A CA 1.546 53.532 52.037 -0.086 0.000 0.628 701 A CB -1.034 17.911 19.000 -0.091 0.000 0.816 701 A HN 0.411 nan 8.150 nan 0.000 0.444 702 V N 0.099 119.952 119.914 -0.102 0.000 2.332 702 V HA -0.306 3.815 4.120 0.001 0.000 0.248 702 V C 2.323 178.425 176.094 0.014 0.000 1.055 702 V CA 2.402 64.689 62.300 -0.022 0.000 1.038 702 V CB -1.040 30.761 31.823 -0.036 0.000 0.651 702 V HN 0.624 nan 8.190 nan 0.000 0.450 703 E N 0.046 120.239 120.200 -0.012 0.000 2.046 703 E HA -0.204 4.146 4.350 0.001 0.000 0.190 703 E C 2.263 178.859 176.600 -0.007 0.000 0.982 703 E CA 1.123 57.523 56.400 -0.001 0.000 0.800 703 E CB -0.168 29.527 29.700 -0.010 0.000 0.756 703 E HN 0.413 nan 8.360 nan 0.000 0.449 704 K N 0.787 121.173 120.400 -0.024 0.000 2.063 704 K HA -0.151 4.169 4.320 0.001 0.000 0.208 704 K C 1.889 178.454 176.600 -0.058 0.000 1.048 704 K CA 1.255 57.523 56.287 -0.032 0.000 0.928 704 K CB -0.297 32.185 32.500 -0.029 0.000 0.713 704 K HN 0.139 nan 8.250 nan 0.000 0.442 705 A N 0.691 123.459 122.820 -0.087 0.000 1.892 705 A HA -0.280 4.040 4.320 0.001 0.000 0.218 705 A C 2.017 179.497 177.584 -0.173 0.000 1.188 705 A CA 2.171 54.072 52.037 -0.227 0.000 0.631 705 A CB -0.554 18.268 19.000 -0.297 0.000 0.822 705 A HN 0.279 nan 8.150 nan 0.000 0.447 706 K N -0.267 120.137 120.400 0.007 0.000 2.089 706 K HA -0.205 4.115 4.320 0.001 0.000 0.210 706 K C 2.044 178.662 176.600 0.030 0.000 1.048 706 K CA 1.996 58.337 56.287 0.090 0.000 0.926 706 K CB -0.185 32.363 32.500 0.081 0.000 0.714 706 K HN 0.691 nan 8.250 nan 0.000 0.448 707 E N -0.039 120.155 120.200 -0.009 0.000 2.012 707 E HA -0.205 4.145 4.350 0.001 0.000 0.197 707 E C 2.052 178.627 176.600 -0.042 0.000 1.007 707 E CA 1.652 58.039 56.400 -0.021 0.000 0.816 707 E CB -0.170 29.514 29.700 -0.026 0.000 0.762 707 E HN 0.272 nan 8.360 nan 0.000 0.451 708 I N 0.288 120.819 120.570 -0.064 0.000 2.361 708 I HA -0.128 4.042 4.170 0.001 0.000 0.251 708 I C 1.108 177.160 176.117 -0.109 0.000 1.133 708 I CA 0.834 62.086 61.300 -0.081 0.000 1.413 708 I CB -0.439 37.523 38.000 -0.063 0.000 1.073 708 I HN 0.232 nan 8.210 nan 0.000 0.424 709 G N -0.470 108.287 108.800 -0.073 0.000 2.721 709 G HA2 -0.228 3.732 3.960 0.001 0.000 0.686 709 G HA3 -0.228 3.732 3.960 0.001 0.000 0.686 709 G C -0.747 174.218 174.900 0.109 0.000 1.236 709 G CA -0.912 44.202 45.100 0.022 0.000 0.786 709 G HN 0.054 nan 8.290 nan 0.000 0.616 710 Y N 1.693 122.089 120.300 0.160 0.000 2.326 710 Y HA 0.566 5.117 4.550 0.001 0.000 0.324 710 Y C -1.057 174.979 175.900 0.226 0.000 1.291 710 Y CA -1.258 56.940 58.100 0.163 0.000 1.348 710 Y CB 0.819 39.342 38.460 0.104 0.000 1.294 710 Y HN 0.525 nan 8.280 nan 0.000 0.525 711 P HA 0.213 nan 4.420 nan 0.000 0.276 711 P C -1.281 175.950 177.300 -0.115 0.000 1.244 711 P CA -0.253 62.880 63.100 0.055 0.000 0.801 711 P CB 0.842 32.382 31.700 -0.268 0.000 1.006 712 L N 0.817 121.920 121.223 -0.200 0.000 2.319 712 L HA 0.431 4.771 4.340 0.001 0.000 0.267 712 L C -0.268 176.445 176.870 -0.262 0.000 1.011 712 L CA -0.839 53.873 54.840 -0.214 0.000 0.818 712 L CB 1.811 43.720 42.059 -0.250 0.000 1.316 712 L HN 0.049 nan 8.230 nan 0.000 0.432 713 V N 2.847 122.652 119.914 -0.182 0.000 2.293 713 V HA 0.354 4.475 4.120 0.001 0.000 0.275 713 V C -0.357 175.635 176.094 -0.170 0.000 1.021 713 V CA -0.641 61.547 62.300 -0.187 0.000 0.815 713 V CB 1.620 33.400 31.823 -0.073 0.000 1.025 713 V HN 0.427 nan 8.190 nan 0.000 0.448 714 V N 6.524 126.282 119.914 -0.260 0.000 2.364 714 V HA 0.490 4.611 4.120 0.001 0.000 0.272 714 V C 0.265 176.226 176.094 -0.221 0.000 1.036 714 V CA -0.614 61.532 62.300 -0.256 0.000 0.880 714 V CB 1.187 32.765 31.823 -0.409 0.000 0.991 714 V HN 0.746 nan 8.190 nan 0.000 0.460 715 R N 4.947 125.392 120.500 -0.090 0.000 2.437 715 R HA 0.621 4.961 4.340 0.001 0.000 0.310 715 R C -2.294 174.008 176.300 0.004 0.000 0.955 715 R CA -1.070 55.006 56.100 -0.039 0.000 0.851 715 R CB 2.319 32.607 30.300 -0.021 0.000 1.161 715 R HN 0.622 nan 8.270 nan 0.000 0.446 725 M N 0.665 120.260 119.600 -0.009 0.000 2.180 725 M HA 0.815 5.296 4.480 0.001 0.000 0.350 725 M C -0.556 175.665 176.300 -0.131 0.000 1.125 725 M CA -0.041 55.216 55.300 -0.072 0.000 1.031 725 M CB 1.333 33.897 32.600 -0.061 0.000 1.623 725 M HN 0.558 nan 8.290 nan 0.000 0.451 726 E N 3.591 123.618 120.200 -0.289 0.000 2.263 726 E HA 0.653 5.004 4.350 0.001 0.000 0.264 726 E C -1.644 174.732 176.600 -0.373 0.000 0.923 726 E CA -0.915 55.298 56.400 -0.312 0.000 0.802 726 E CB 2.288 31.775 29.700 -0.355 0.000 1.228 726 E HN 0.892 nan 8.360 nan 0.000 0.417 727 I N 2.870 123.239 120.570 -0.335 0.000 2.330 727 I HA 0.260 4.430 4.170 0.001 0.000 0.289 727 I C -0.747 175.136 176.117 -0.391 0.000 1.001 727 I CA -0.801 60.211 61.300 -0.480 0.000 1.193 727 I CB 1.516 39.065 38.000 -0.753 0.000 1.345 727 I HN 0.229 nan 8.210 nan 0.000 0.461 728 V N 7.086 126.783 119.914 -0.361 0.000 2.472 728 V HA 0.192 4.313 4.120 0.001 0.000 0.290 728 V C -0.157 175.857 176.094 -0.134 0.000 1.037 728 V CA -0.034 62.198 62.300 -0.113 0.000 0.908 728 V CB 1.564 33.394 31.823 0.011 0.000 0.985 728 V HN 0.600 nan 8.190 nan 0.000 0.454 729 Y N 1.716 122.103 120.300 0.144 0.000 2.462 729 Y HA 0.230 4.781 4.550 0.001 0.000 0.253 729 Y C 0.652 176.551 175.900 -0.002 0.000 1.095 729 Y CA -0.491 57.699 58.100 0.151 0.000 1.283 729 Y CB 0.592 39.079 38.460 0.046 0.000 1.138 729 Y HN 0.836 nan 8.280 nan 0.000 0.522 730 D N -2.228 118.167 120.400 -0.008 0.000 2.677 730 D HA 0.072 4.713 4.640 0.001 0.000 0.298 730 D C 0.576 176.703 176.300 -0.288 0.000 1.250 730 D CA -0.693 52.994 54.000 -0.521 0.000 0.888 730 D CB 0.400 41.043 40.800 -0.261 0.000 1.397 730 D HN -0.056 nan 8.370 nan 0.000 0.461 731 E N -0.255 119.759 120.200 -0.310 0.000 2.051 731 E HA -0.198 4.152 4.350 0.001 0.000 0.192 731 E C 1.925 178.560 176.600 0.058 0.000 0.991 731 E CA 1.410 57.818 56.400 0.012 0.000 0.799 731 E CB -0.249 29.447 29.700 -0.007 0.000 0.748 731 E HN 0.497 nan 8.360 nan 0.000 0.449 732 A N 1.446 124.274 122.820 0.012 0.000 1.873 732 A HA -0.262 4.059 4.320 0.001 0.000 0.218 732 A C 2.029 179.666 177.584 0.087 0.000 1.193 732 A CA 2.055 54.115 52.037 0.039 0.000 0.629 732 A CB -0.834 18.174 19.000 0.014 0.000 0.826 732 A HN 0.339 nan 8.150 nan 0.000 0.447 733 D N -0.639 119.820 120.400 0.099 0.000 2.123 733 D HA -0.148 4.492 4.640 0.001 0.000 0.196 733 D C 1.824 178.252 176.300 0.214 0.000 0.992 733 D CA 1.361 55.450 54.000 0.149 0.000 0.833 733 D CB -0.279 40.622 40.800 0.168 0.000 0.954 733 D HN 0.263 nan 8.370 nan 0.000 0.455 734 L N 1.379 122.748 121.223 0.244 0.000 1.970 734 L HA -0.145 4.195 4.340 0.001 0.000 0.212 734 L C 2.335 179.427 176.870 0.369 0.000 1.071 734 L CA 1.791 56.819 54.840 0.312 0.000 0.751 734 L CB -0.845 41.391 42.059 0.295 0.000 0.889 734 L HN -0.072 nan 8.230 nan 0.000 0.432 735 R N -0.757 119.880 120.500 0.228 0.000 2.112 735 R HA -0.239 4.101 4.340 0.001 0.000 0.242 735 R C 2.448 178.894 176.300 0.244 0.000 1.137 735 R CA 1.928 58.138 56.100 0.183 0.000 0.944 735 R CB -0.649 29.703 30.300 0.087 0.000 0.857 735 R HN 0.409 nan 8.270 nan 0.000 0.435 736 R N 0.210 120.829 120.500 0.198 0.000 2.112 736 R HA -0.265 4.075 4.340 0.001 0.000 0.242 736 R C 2.235 178.646 176.300 0.184 0.000 1.137 736 R CA 2.217 58.414 56.100 0.161 0.000 0.944 736 R CB -0.609 29.773 30.300 0.138 0.000 0.857 736 R HN 0.332 nan 8.270 nan 0.000 0.435 737 Y N 0.324 120.697 120.300 0.120 0.000 2.181 737 Y HA -0.223 4.328 4.550 0.001 0.000 0.288 737 Y C 1.919 177.823 175.900 0.006 0.000 1.146 737 Y CA 1.765 59.895 58.100 0.051 0.000 1.164 737 Y CB -0.667 37.820 38.460 0.044 0.000 0.982 737 Y HN 0.042 nan 8.280 nan 0.000 0.515 738 F N 0.677 120.626 119.950 -0.000 0.000 2.154 738 F HA -0.306 4.221 4.527 0.001 0.000 0.301 738 F C 2.783 178.502 175.800 -0.136 0.000 1.087 738 F CA 2.211 60.161 58.000 -0.083 0.000 1.274 738 F CB -0.590 38.431 39.000 0.036 0.000 1.009 738 F HN 0.171 nan 8.300 nan 0.000 0.485 739 Q N 0.125 119.962 119.800 0.063 0.000 1.967 739 Q HA -0.221 4.119 4.340 0.001 0.000 0.202 739 Q C 2.489 178.427 176.000 -0.103 0.000 0.985 739 Q CA 2.690 58.494 55.803 0.003 0.000 0.839 739 Q CB -0.729 28.020 28.738 0.018 0.000 0.906 739 Q HN 0.491 nan 8.270 nan 0.000 0.423 740 T N -0.588 113.877 114.554 -0.148 0.000 2.802 740 T HA -0.069 4.281 4.350 0.001 0.000 0.269 740 T C 1.058 175.569 174.700 -0.315 0.000 1.062 740 T CA 0.873 62.856 62.100 -0.196 0.000 1.133 740 T CB -0.486 68.283 68.868 -0.165 0.000 0.852 740 T HN 0.409 nan 8.240 nan 0.000 0.485 751 L N 6.047 127.296 121.223 0.044 0.000 2.290 751 L HA 0.552 4.892 4.340 0.001 0.000 0.284 751 L C -0.623 176.257 176.870 0.017 0.000 1.078 751 L CA -0.057 54.800 54.840 0.028 0.000 0.815 751 L CB 1.077 43.146 42.059 0.016 0.000 1.162 751 L HN 0.408 nan 8.230 nan 0.000 0.435 752 L N 3.737 124.968 121.223 0.013 0.000 2.333 752 L HA 0.513 4.854 4.340 0.001 0.000 0.280 752 L C -0.866 175.997 176.870 -0.012 0.000 1.004 752 L CA -0.126 54.709 54.840 -0.009 0.000 0.820 752 L CB 1.689 43.742 42.059 -0.010 0.000 1.247 752 L HN 0.501 nan 8.230 nan 0.000 0.416 753 D N -0.419 119.968 120.400 -0.021 0.000 2.934 753 D HA 0.266 4.907 4.640 0.001 0.000 0.230 753 D C -1.085 175.225 176.300 0.016 0.000 1.204 753 D CA -0.544 53.462 54.000 0.009 0.000 0.873 753 D CB 1.379 42.189 40.800 0.017 0.000 1.645 753 D HN 0.463 nan 8.370 nan 0.000 0.502 754 H N 1.925 120.969 119.070 -0.042 0.000 2.848 754 H HA 0.232 4.789 4.556 0.001 0.000 0.317 754 H C -0.935 174.390 175.328 -0.006 0.000 1.046 754 H CA -0.180 55.841 56.048 -0.045 0.000 1.470 754 H CB 0.222 29.949 29.762 -0.058 0.000 1.483 754 H HN 0.213 nan 8.280 nan 0.000 0.548 755 F N 5.937 125.453 119.950 -0.723 0.000 2.456 755 F HA 0.233 4.761 4.527 0.001 0.000 0.358 755 F C -0.804 174.581 175.800 -0.691 0.000 1.095 755 F CA -0.804 56.857 58.000 -0.565 0.000 1.216 755 F CB 0.375 39.112 39.000 -0.439 0.000 1.125 755 F HN 0.548 nan 8.300 nan 0.000 0.549 756 L N 6.242 126.771 121.223 -1.156 0.000 2.287 756 L HA 0.217 4.557 4.340 0.001 0.000 0.280 756 L C -0.229 175.961 176.870 -1.132 0.000 1.055 756 L CA -0.685 53.606 54.840 -0.915 0.000 0.863 756 L CB 0.199 41.849 42.059 -0.682 0.000 1.245 756 L HN 0.534 nan 8.230 nan 0.000 0.432 757 D N 2.788 122.723 120.400 -0.775 0.000 2.382 757 D HA -0.012 4.629 4.640 0.001 0.000 0.240 757 D C 0.454 176.633 176.300 -0.202 0.000 1.146 757 D CA 0.340 54.118 54.000 -0.370 0.000 0.897 757 D CB 0.699 41.499 40.800 -0.001 0.000 1.197 757 D HN 0.502 nan 8.370 nan 0.000 0.432 758 D N -0.328 120.031 120.400 -0.068 0.000 2.737 758 D HA -0.204 4.436 4.640 0.001 0.000 0.233 758 D C -0.514 175.742 176.300 -0.073 0.000 1.155 758 D CA 0.836 54.818 54.000 -0.030 0.000 0.667 758 D CB -1.442 39.355 40.800 -0.005 0.000 1.060 758 D HN 0.347 nan 8.370 nan 0.000 0.427 759 A N -0.403 122.343 122.820 -0.122 0.000 2.299 759 A HA 0.671 4.991 4.320 0.001 0.000 0.332 759 A C 0.121 177.669 177.584 -0.060 0.000 1.131 759 A CA -0.594 51.371 52.037 -0.119 0.000 0.844 759 A CB 1.884 20.753 19.000 -0.218 0.000 1.251 759 A HN 0.068 nan 8.150 nan 0.000 0.486 760 V N 1.474 121.358 119.914 -0.048 0.000 2.394 760 V HA 0.295 4.416 4.120 0.001 0.000 0.282 760 V C 0.239 176.300 176.094 -0.055 0.000 1.031 760 V CA -0.357 61.925 62.300 -0.030 0.000 0.881 760 V CB 1.151 32.946 31.823 -0.047 0.000 0.982 760 V HN 0.970 nan 8.190 nan 0.000 0.451 761 E N 3.771 123.917 120.200 -0.091 0.000 2.249 761 E HA 0.593 4.944 4.350 0.001 0.000 0.280 761 E C -1.376 174.896 176.600 -0.546 0.000 1.016 761 E CA -0.373 55.851 56.400 -0.293 0.000 0.830 761 E CB 1.691 31.209 29.700 -0.304 0.000 1.081 761 E HN 0.487 nan 8.360 nan 0.000 0.395 762 V N 4.083 123.802 119.914 -0.326 0.000 2.680 762 V HA 0.337 4.457 4.120 0.001 0.000 0.309 762 V C -0.579 175.518 176.094 0.004 0.000 1.052 762 V CA -0.863 61.356 62.300 -0.135 0.000 0.908 762 V CB 2.122 33.975 31.823 0.052 0.000 1.001 762 V HN 0.747 nan 8.190 nan 0.000 0.431 763 D N 1.849 122.322 120.400 0.122 0.000 2.505 763 D HA 0.608 5.248 4.640 0.001 0.000 0.249 763 D C -1.345 175.079 176.300 0.206 0.000 1.082 763 D CA -0.056 54.059 54.000 0.191 0.000 0.839 763 D CB 2.533 43.491 40.800 0.263 0.000 1.317 763 D HN 0.283 nan 8.370 nan 0.000 0.497 764 V N 3.172 123.210 119.914 0.206 0.000 2.483 764 V HA 0.273 4.393 4.120 0.001 0.000 0.297 764 V C -0.400 175.772 176.094 0.130 0.000 1.027 764 V CA -0.920 61.493 62.300 0.189 0.000 0.855 764 V CB 2.120 34.101 31.823 0.264 0.000 0.995 764 V HN 0.389 nan 8.190 nan 0.000 0.424 765 D N 3.529 123.991 120.400 0.103 0.000 2.168 765 D HA 0.848 5.488 4.640 0.001 0.000 0.246 765 D C -0.060 176.273 176.300 0.055 0.000 1.050 765 D CA 0.150 54.192 54.000 0.070 0.000 0.857 765 D CB 2.351 43.187 40.800 0.059 0.000 1.169 765 D HN 0.858 nan 8.370 nan 0.000 0.453 766 A N 1.752 124.595 122.820 0.040 0.000 2.601 766 A HA 0.654 4.975 4.320 0.001 0.000 0.291 766 A C -1.444 176.147 177.584 0.013 0.000 1.075 766 A CA -0.650 51.402 52.037 0.025 0.000 0.671 766 A CB 0.924 19.938 19.000 0.023 0.000 1.277 766 A HN 0.455 nan 8.150 nan 0.000 0.417 767 I N 0.355 120.927 120.570 0.002 0.000 2.474 767 I HA 0.572 4.743 4.170 0.001 0.000 0.294 767 I C -0.449 175.642 176.117 -0.043 0.000 1.005 767 I CA -0.555 60.744 61.300 -0.002 0.000 1.113 767 I CB 1.877 39.891 38.000 0.023 0.000 1.289 767 I HN 0.680 nan 8.210 nan 0.000 0.436 768 C N 4.966 124.228 119.300 -0.063 0.000 2.396 768 C HA 0.472 4.933 4.460 0.001 0.000 0.321 768 C C 0.240 175.194 174.990 -0.061 0.000 1.233 768 C CA -0.534 58.407 59.018 -0.129 0.000 1.440 768 C CB 0.636 28.211 27.740 -0.276 0.000 2.110 768 C HN 0.943 nan 8.230 nan 0.000 0.473 769 D N 2.124 122.510 120.400 -0.024 0.000 2.388 769 D HA 0.292 4.933 4.640 0.001 0.000 0.221 769 D C 1.482 177.818 176.300 0.061 0.000 1.133 769 D CA 0.557 54.571 54.000 0.023 0.000 0.831 769 D CB -0.030 40.793 40.800 0.039 0.000 0.962 769 D HN 1.356 nan 8.370 nan 0.000 0.502 770 G N 0.473 109.316 108.800 0.071 0.000 2.245 770 G HA2 -0.431 3.529 3.960 0.001 0.000 0.264 770 G HA3 -0.431 3.529 3.960 0.001 0.000 0.264 770 G C 0.903 176.004 174.900 0.335 0.000 0.985 770 G CA 0.607 45.822 45.100 0.192 0.000 0.625 770 G HN 0.488 nan 8.290 nan 0.000 0.536 771 E N -0.766 119.592 120.200 0.262 0.000 2.290 771 E HA 0.438 4.788 4.350 0.001 0.000 0.199 771 E C 1.273 178.063 176.600 0.316 0.000 0.912 771 E CA 0.722 57.261 56.400 0.231 0.000 0.924 771 E CB 0.140 29.913 29.700 0.123 0.000 0.901 771 E HN 0.776 nan 8.360 nan 0.000 0.487 772 M N -0.865 118.904 119.600 0.283 0.000 2.813 772 M HA 0.469 4.949 4.480 0.001 0.000 0.270 772 M C -1.946 174.381 176.300 0.046 0.000 1.267 772 M CA -0.853 54.605 55.300 0.263 0.000 0.822 772 M CB 2.551 35.238 32.600 0.145 0.000 1.671 772 M HN -0.286 nan 8.290 nan 0.000 0.468 773 V N 2.216 122.142 119.914 0.021 0.000 2.531 773 V HA 0.603 4.723 4.120 0.001 0.000 0.301 773 V C -1.391 174.695 176.094 -0.013 0.000 1.034 773 V CA -0.631 61.613 62.300 -0.092 0.000 0.865 773 V CB 1.671 33.386 31.823 -0.181 0.000 0.995 773 V HN 0.783 nan 8.190 nan 0.000 0.424 774 L N 6.082 127.295 121.223 -0.017 0.000 2.280 774 L HA 0.584 4.925 4.340 0.001 0.000 0.287 774 L C -0.387 176.485 176.870 0.004 0.000 1.023 774 L CA -0.147 54.694 54.840 0.003 0.000 0.819 774 L CB 1.049 43.113 42.059 0.008 0.000 1.212 774 L HN 0.439 nan 8.230 nan 0.000 0.420 775 I N 5.858 126.434 120.570 0.009 0.000 2.406 775 I HA 0.130 4.300 4.170 0.001 0.000 0.293 775 I C 1.457 177.581 176.117 0.012 0.000 1.101 775 I CA 0.441 61.750 61.300 0.015 0.000 1.334 775 I CB 0.276 38.285 38.000 0.014 0.000 1.421 775 I HN 0.850 nan 8.210 nan 0.000 0.513 776 G N 5.438 114.250 108.800 0.020 0.000 2.395 776 G HA2 0.229 4.189 3.960 0.001 0.000 0.214 776 G HA3 0.229 4.189 3.960 0.001 0.000 0.214 776 G C 0.668 175.577 174.900 0.015 0.000 1.177 776 G CA 0.677 45.786 45.100 0.015 0.000 0.794 776 G HN 0.775 nan 8.290 nan 0.000 0.532 777 G N -0.880 107.944 108.800 0.040 0.000 2.658 777 G HA2 0.430 4.391 3.960 0.001 0.000 0.301 777 G HA3 0.430 4.391 3.960 0.001 0.000 0.301 777 G C -1.429 173.527 174.900 0.093 0.000 1.481 777 G CA -0.842 44.290 45.100 0.053 0.000 0.931 777 G HN 0.146 nan 8.290 nan 0.000 0.573 778 I N 2.142 122.767 120.570 0.092 0.000 2.354 778 I HA 0.382 4.552 4.170 0.001 0.000 0.286 778 I C -0.140 176.072 176.117 0.158 0.000 1.007 778 I CA -0.393 60.972 61.300 0.109 0.000 1.167 778 I CB 1.579 39.614 38.000 0.058 0.000 1.320 778 I HN 0.262 nan 8.210 nan 0.000 0.458 779 M N 5.678 125.402 119.600 0.208 0.000 2.294 779 M HA 0.351 4.831 4.480 0.001 0.000 0.335 779 M C -0.224 176.244 176.300 0.280 0.000 1.079 779 M CA -0.327 55.140 55.300 0.279 0.000 0.982 779 M CB 2.111 34.904 32.600 0.321 0.000 1.651 779 M HN 0.413 nan 8.290 nan 0.000 0.437 780 E N 2.777 123.167 120.200 0.316 0.000 2.134 780 E HA 0.222 4.572 4.350 0.001 0.000 0.278 780 E C -1.067 175.803 176.600 0.451 0.000 0.959 780 E CA -0.472 56.114 56.400 0.311 0.000 0.783 780 E CB 0.814 30.680 29.700 0.277 0.000 1.095 780 E HN 0.667 nan 8.360 nan 0.000 0.399 781 H N 4.341 123.532 119.070 0.202 0.000 2.722 781 H HA 0.021 4.578 4.556 0.001 0.000 0.328 781 H C 0.841 176.322 175.328 0.256 0.000 1.067 781 H CA -0.751 55.410 56.048 0.189 0.000 1.447 781 H CB 1.170 31.011 29.762 0.132 0.000 1.469 781 H HN 0.575 nan 8.280 nan 0.000 0.544 782 I N 2.244 123.035 120.570 0.368 0.000 2.133 782 I HA -0.168 4.003 4.170 0.001 0.000 0.238 782 I C 0.787 177.078 176.117 0.290 0.000 1.074 782 I CA 1.162 62.670 61.300 0.347 0.000 1.342 782 I CB -0.222 37.955 38.000 0.294 0.000 1.053 782 I HN 0.622 nan 8.210 nan 0.000 0.404 783 E N 1.929 122.277 120.200 0.247 0.000 2.392 783 E HA 0.041 4.391 4.350 0.001 0.000 0.264 783 E C 0.266 177.010 176.600 0.240 0.000 1.024 783 E CA -0.258 56.273 56.400 0.219 0.000 0.903 783 E CB 0.199 30.006 29.700 0.179 0.000 0.963 783 E HN 0.171 nan 8.360 nan 0.000 0.432 784 Q N 1.586 121.503 119.800 0.194 0.000 2.535 784 Q HA 0.192 4.532 4.340 0.001 0.000 0.228 784 Q C -0.394 175.710 176.000 0.173 0.000 1.062 784 Q CA -0.443 55.454 55.803 0.157 0.000 0.967 784 Q CB 0.406 29.219 28.738 0.126 0.000 1.273 784 Q HN 0.490 nan 8.270 nan 0.000 0.554 785 A N -0.098 122.780 122.820 0.096 0.000 2.548 785 A HA 0.436 4.757 4.320 0.001 0.000 0.247 785 A C 1.084 178.813 177.584 0.243 0.000 1.067 785 A CA 0.760 52.852 52.037 0.091 0.000 0.757 785 A CB -0.876 18.083 19.000 -0.070 0.000 0.996 785 A HN 1.323 nan 8.150 nan 0.000 0.504 786 G N 1.061 110.043 108.800 0.304 0.000 2.545 786 G HA2 -0.081 3.879 3.960 0.001 0.000 0.195 786 G HA3 -0.081 3.879 3.960 0.001 0.000 0.195 786 G C 0.022 175.042 174.900 0.200 0.000 1.009 786 G CA 0.020 45.349 45.100 0.382 0.000 0.703 786 G HN 1.286 nan 8.290 nan 0.000 0.479 787 V N 3.558 123.594 119.914 0.202 0.000 2.370 787 V HA 0.436 4.557 4.120 0.001 0.000 0.279 787 V C 0.734 176.939 176.094 0.185 0.000 1.029 787 V CA -0.998 61.410 62.300 0.180 0.000 0.870 787 V CB 1.252 33.178 31.823 0.171 0.000 0.984 787 V HN 0.434 nan 8.190 nan 0.000 0.451 788 H N 3.839 122.966 119.070 0.096 0.000 3.064 788 H HA -0.059 4.498 4.556 0.001 0.000 0.329 788 H C 1.635 177.004 175.328 0.069 0.000 1.020 788 H CA 0.988 57.085 56.048 0.082 0.000 1.402 788 H CB 1.245 31.034 29.762 0.045 0.000 1.379 788 H HN 0.876 nan 8.280 nan 0.000 0.594 789 S N 2.803 118.407 115.700 -0.161 0.000 2.387 789 S HA -0.167 4.303 4.470 0.001 0.000 0.230 789 S C 2.250 176.864 174.600 0.023 0.000 1.035 789 S CA 1.063 59.243 58.200 -0.032 0.000 1.014 789 S CB -0.682 62.578 63.200 0.100 0.000 0.836 789 S HN 0.738 nan 8.310 nan 0.000 0.466 790 G N 0.731 109.776 108.800 0.409 0.000 2.509 790 G HA2 -0.057 3.904 3.960 0.001 0.000 0.218 790 G HA3 -0.057 3.904 3.960 0.001 0.000 0.218 790 G C 0.814 175.759 174.900 0.075 0.000 1.124 790 G CA 0.834 46.062 45.100 0.214 0.000 0.776 790 G HN 0.551 nan 8.290 nan 0.000 0.547 791 D N -0.402 120.060 120.400 0.105 0.000 2.433 791 D HA 0.193 4.833 4.640 0.001 0.000 0.211 791 D C 0.518 176.828 176.300 0.017 0.000 1.114 791 D CA -0.017 54.012 54.000 0.048 0.000 0.837 791 D CB 0.675 41.529 40.800 0.090 0.000 0.984 791 D HN 0.050 nan 8.370 nan 0.000 0.505 792 S N 0.598 116.268 115.700 -0.051 0.000 2.562 792 S HA 0.638 5.108 4.470 0.001 0.000 0.275 792 S C 0.298 174.818 174.600 -0.133 0.000 1.281 792 S CA -0.742 57.395 58.200 -0.104 0.000 1.045 792 S CB 1.742 64.747 63.200 -0.324 0.000 0.962 792 S HN 0.230 nan 8.310 nan 0.000 0.503 793 A N 1.412 124.222 122.820 -0.017 0.000 2.351 793 A HA 0.612 4.933 4.320 0.001 0.000 0.257 793 A C 0.380 177.965 177.584 0.002 0.000 1.087 793 A CA -0.580 51.452 52.037 -0.009 0.000 0.798 793 A CB -0.371 18.718 19.000 0.148 0.000 1.033 793 A HN 1.198 nan 8.150 nan 0.000 0.488 794 C N -0.274 119.007 119.300 -0.031 0.000 3.173 794 C HA 0.890 5.351 4.460 0.001 0.000 0.310 794 C C -0.296 174.799 174.990 0.174 0.000 1.306 794 C CA -0.464 58.602 59.018 0.079 0.000 1.426 794 C CB 0.992 28.759 27.740 0.045 0.000 1.800 794 C HN 1.141 nan 8.230 nan 0.000 0.470 795 S N 0.953 116.848 115.700 0.326 0.000 2.521 795 S HA 0.799 5.269 4.470 0.001 0.000 0.295 795 S C -1.430 173.454 174.600 0.474 0.000 1.098 795 S CA -0.491 57.975 58.200 0.443 0.000 0.999 795 S CB 1.172 64.645 63.200 0.454 0.000 1.034 795 S HN 1.020 nan 8.310 nan 0.000 0.483 796 L N 6.453 127.979 121.223 0.506 0.000 2.404 796 L HA 0.613 4.954 4.340 0.001 0.000 0.272 796 L C -2.481 174.521 176.870 0.220 0.000 0.980 796 L CA -2.098 52.943 54.840 0.336 0.000 0.836 796 L CB 2.376 44.608 42.059 0.289 0.000 1.238 796 L HN 0.505 nan 8.230 nan 0.000 0.408 797 P HA 0.208 nan 4.420 nan 0.000 0.277 797 P C -0.758 176.732 177.300 0.317 0.000 1.271 797 P CA -0.458 62.707 63.100 0.109 0.000 0.795 797 P CB 0.608 32.279 31.700 -0.050 0.000 1.101 798 A N 0.611 123.572 122.820 0.236 0.000 2.561 798 A HA 0.022 4.342 4.320 0.001 0.000 0.234 798 A C 0.467 178.241 177.584 0.317 0.000 1.055 798 A CA 0.388 52.574 52.037 0.249 0.000 0.756 798 A CB -0.912 18.145 19.000 0.094 0.000 0.986 798 A HN 0.726 nan 8.150 nan 0.000 0.505 799 Y N 0.221 120.546 120.300 0.041 0.000 2.444 799 Y HA 0.282 4.833 4.550 0.001 0.000 0.249 799 Y C 1.448 177.245 175.900 -0.171 0.000 1.134 799 Y CA 0.728 58.772 58.100 -0.093 0.000 1.261 799 Y CB -0.348 37.783 38.460 -0.548 0.000 1.143 799 Y HN 0.642 nan 8.280 nan 0.000 0.523 800 T N -1.975 112.195 114.554 -0.640 0.000 3.105 800 T HA 0.293 4.643 4.350 0.001 0.000 0.257 800 T C 0.374 174.905 174.700 -0.283 0.000 0.949 800 T CA -0.134 61.645 62.100 -0.533 0.000 0.959 800 T CB -0.778 67.650 68.868 -0.733 0.000 1.205 800 T HN 0.114 nan 8.240 nan 0.000 0.496 801 L N 4.136 125.220 121.223 -0.233 0.000 2.543 801 L HA 0.292 4.632 4.340 0.001 0.000 0.285 801 L C 1.097 177.906 176.870 -0.102 0.000 1.236 801 L CA -0.321 54.434 54.840 -0.142 0.000 0.871 801 L CB 0.276 42.272 42.059 -0.106 0.000 1.121 801 L HN 0.489 nan 8.230 nan 0.000 0.501 802 S N 1.658 117.302 115.700 -0.093 0.000 2.603 802 S HA 0.062 4.532 4.470 0.001 0.000 0.268 802 S C 0.627 175.189 174.600 -0.064 0.000 1.317 802 S CA -0.447 57.709 58.200 -0.072 0.000 1.012 802 S CB 1.567 64.725 63.200 -0.068 0.000 0.926 802 S HN 0.680 nan 8.310 nan 0.000 0.539 803 Q N 0.964 120.733 119.800 -0.052 0.000 2.050 803 Q HA -0.156 4.184 4.340 0.001 0.000 0.202 803 Q C 2.084 178.050 176.000 -0.057 0.000 0.980 803 Q CA 2.386 58.160 55.803 -0.049 0.000 0.840 803 Q CB -0.547 28.168 28.738 -0.039 0.000 0.898 803 Q HN 0.968 nan 8.270 nan 0.000 0.424 804 E N -0.398 119.769 120.200 -0.055 0.000 2.048 804 E HA -0.245 4.106 4.350 0.001 0.000 0.202 804 E C 1.828 178.383 176.600 -0.075 0.000 1.021 804 E CA 1.666 58.031 56.400 -0.058 0.000 0.825 804 E CB -0.375 29.294 29.700 -0.052 0.000 0.756 804 E HN 0.445 nan 8.360 nan 0.000 0.454 805 I N 1.167 121.686 120.570 -0.084 0.000 2.286 805 I HA -0.241 3.929 4.170 0.001 0.000 0.248 805 I C 2.370 178.402 176.117 -0.142 0.000 1.115 805 I CA 1.537 62.772 61.300 -0.108 0.000 1.392 805 I CB -0.898 37.042 38.000 -0.100 0.000 1.065 805 I HN 0.355 nan 8.210 nan 0.000 0.418 806 Q N -0.214 119.516 119.800 -0.118 0.000 2.167 806 Q HA -0.196 4.145 4.340 0.001 0.000 0.202 806 Q C 1.607 177.533 176.000 -0.123 0.000 0.970 806 Q CA 1.256 56.984 55.803 -0.125 0.000 0.855 806 Q CB 0.024 28.715 28.738 -0.079 0.000 0.911 806 Q HN 0.480 nan 8.270 nan 0.000 0.438 807 D N -0.242 120.100 120.400 -0.095 0.000 2.183 807 D HA -0.092 4.549 4.640 0.001 0.000 0.203 807 D C 1.882 178.131 176.300 -0.085 0.000 0.969 807 D CA 0.742 54.697 54.000 -0.075 0.000 0.842 807 D CB 0.200 40.968 40.800 -0.053 0.000 0.957 807 D HN 0.073 nan 8.370 nan 0.000 0.484 808 V N 1.029 120.874 119.914 -0.115 0.000 2.358 808 V HA -0.214 3.907 4.120 0.001 0.000 0.246 808 V C 2.543 178.537 176.094 -0.168 0.000 1.047 808 V CA 1.177 63.405 62.300 -0.120 0.000 1.035 808 V CB -0.360 31.377 31.823 -0.142 0.000 0.658 808 V HN 0.177 nan 8.190 nan 0.000 0.452 809 M N -0.696 118.719 119.600 -0.309 0.000 2.067 809 M HA -0.174 4.307 4.480 0.001 0.000 0.260 809 M C 2.522 178.707 176.300 -0.191 0.000 1.069 809 M CA 1.874 56.842 55.300 -0.553 0.000 1.117 809 M CB -0.529 31.552 32.600 -0.864 0.000 1.334 809 M HN 0.165 nan 8.290 nan 0.000 0.407 810 R N -0.032 120.397 120.500 -0.118 0.000 2.103 810 R HA -0.210 4.130 4.340 0.001 0.000 0.242 810 R C 2.224 178.537 176.300 0.020 0.000 1.142 810 R CA 1.683 57.770 56.100 -0.020 0.000 0.960 810 R CB -0.404 29.881 30.300 -0.025 0.000 0.858 810 R HN 0.547 nan 8.270 nan 0.000 0.439 811 Q N 0.071 119.870 119.800 -0.001 0.000 2.119 811 Q HA -0.166 4.175 4.340 0.001 0.000 0.201 811 Q C 2.141 178.185 176.000 0.073 0.000 0.972 811 Q CA 1.256 57.079 55.803 0.033 0.000 0.847 811 Q CB 0.116 28.860 28.738 0.010 0.000 0.903 811 Q HN 0.479 nan 8.270 nan 0.000 0.433 812 Q N -0.406 119.444 119.800 0.083 0.000 2.167 812 Q HA -0.113 4.228 4.340 0.001 0.000 0.202 812 Q C 2.186 178.315 176.000 0.215 0.000 0.970 812 Q CA 1.118 57.022 55.803 0.169 0.000 0.855 812 Q CB 0.114 29.007 28.738 0.258 0.000 0.911 812 Q HN 0.212 nan 8.270 nan 0.000 0.438 813 V N 1.105 121.157 119.914 0.230 0.000 2.295 813 V HA -0.320 3.801 4.120 0.001 0.000 0.246 813 V C 2.340 178.495 176.094 0.101 0.000 1.049 813 V CA 2.197 64.613 62.300 0.193 0.000 1.024 813 V CB -0.644 31.284 31.823 0.176 0.000 0.648 813 V HN 0.418 nan 8.190 nan 0.000 0.447 814 Q N -0.082 119.778 119.800 0.099 0.000 2.084 814 Q HA -0.285 4.056 4.340 0.001 0.000 0.202 814 Q C 2.271 178.394 176.000 0.205 0.000 0.978 814 Q CA 1.980 57.846 55.803 0.104 0.000 0.844 814 Q CB -0.037 28.803 28.738 0.170 0.000 0.898 814 Q HN 0.560 nan 8.270 nan 0.000 0.426 815 K N -0.019 120.501 120.400 0.200 0.000 2.057 815 K HA -0.105 4.215 4.320 0.001 0.000 0.207 815 K C 1.988 178.697 176.600 0.181 0.000 1.049 815 K CA 1.212 57.625 56.287 0.210 0.000 0.931 815 K CB -0.050 32.531 32.500 0.135 0.000 0.714 815 K HN 0.193 nan 8.250 nan 0.000 0.440 816 L N 0.040 121.343 121.223 0.133 0.000 2.027 816 L HA -0.154 4.186 4.340 0.001 0.000 0.206 816 L C 2.446 179.358 176.870 0.071 0.000 1.074 816 L CA 1.241 56.149 54.840 0.114 0.000 0.745 816 L CB -0.628 41.503 42.059 0.120 0.000 0.898 816 L HN 0.188 nan 8.230 nan 0.000 0.433 817 A N 0.245 123.059 122.820 -0.011 0.000 1.884 817 A HA -0.269 4.052 4.320 0.001 0.000 0.219 817 A C 2.069 179.549 177.584 -0.175 0.000 1.197 817 A CA 2.102 54.043 52.037 -0.160 0.000 0.637 817 A CB -0.986 17.796 19.000 -0.363 0.000 0.827 817 A HN 0.297 nan 8.150 nan 0.000 0.450 818 F N -0.540 119.438 119.950 0.046 0.000 2.084 818 F HA -0.073 4.454 4.527 0.001 0.000 0.296 818 F C 2.423 178.244 175.800 0.036 0.000 1.111 818 F CA 1.707 59.729 58.000 0.037 0.000 1.224 818 F CB -0.826 38.192 39.000 0.031 0.000 0.991 818 F HN 0.266 nan 8.300 nan 0.000 0.471 819 E N 0.620 120.961 120.200 0.235 0.000 2.118 819 E HA -0.173 4.177 4.350 0.001 0.000 0.195 819 E C 2.008 178.675 176.600 0.111 0.000 0.992 819 E CA 1.322 57.810 56.400 0.146 0.000 0.804 819 E CB -0.456 29.315 29.700 0.118 0.000 0.741 819 E HN 0.405 nan 8.360 nan 0.000 0.458 820 L N -0.697 120.586 121.223 0.099 0.000 2.341 820 L HA 0.091 4.432 4.340 0.001 0.000 0.214 820 L C 0.610 177.515 176.870 0.059 0.000 1.115 820 L CA 0.479 55.367 54.840 0.079 0.000 0.820 820 L CB -0.105 42.000 42.059 0.077 0.000 0.944 820 L HN 0.160 nan 8.230 nan 0.000 0.452 821 Q N -0.146 119.691 119.800 0.061 0.000 2.451 821 Q HA -0.127 4.213 4.340 0.001 0.000 0.284 821 Q C -0.536 175.477 176.000 0.022 0.000 1.326 821 Q CA -0.295 55.542 55.803 0.056 0.000 0.762 821 Q CB -1.339 27.433 28.738 0.058 0.000 1.160 821 Q HN 0.170 nan 8.270 nan 0.000 0.419 822 V N 1.177 121.085 119.914 -0.010 0.000 2.763 822 V HA 0.117 4.237 4.120 0.001 0.000 0.306 822 V C 0.785 176.866 176.094 -0.022 0.000 1.059 822 V CA 0.626 62.912 62.300 -0.024 0.000 1.138 822 V CB 1.004 32.795 31.823 -0.054 0.000 0.940 822 V HN 0.216 nan 8.190 nan 0.000 0.489 823 R N 3.582 124.080 120.500 -0.004 0.000 2.734 823 R HA 0.564 4.904 4.340 0.001 0.000 0.268 823 R C 0.171 176.478 176.300 0.012 0.000 1.785 823 R CA 0.371 56.472 56.100 0.002 0.000 1.461 823 R CB 0.985 31.289 30.300 0.006 0.000 1.308 823 R HN 1.110 nan 8.270 nan 0.000 0.586 824 G N 0.715 109.527 108.800 0.021 0.000 2.255 824 G HA2 -0.131 3.830 3.960 0.001 0.000 0.216 824 G HA3 -0.131 3.830 3.960 0.001 0.000 0.216 824 G C -1.084 173.857 174.900 0.068 0.000 1.307 824 G CA -1.038 44.098 45.100 0.061 0.000 1.162 824 G HN 0.221 nan 8.290 nan 0.000 0.494 825 L N 1.291 122.586 121.223 0.121 0.000 2.453 825 L HA 0.744 5.084 4.340 0.001 0.000 0.261 825 L C 0.982 177.887 176.870 0.059 0.000 1.179 825 L CA 0.155 55.046 54.840 0.086 0.000 0.813 825 L CB 0.982 43.095 42.059 0.089 0.000 1.110 825 L HN 0.907 nan 8.230 nan 0.000 0.466 826 M N 1.029 120.650 119.600 0.036 0.000 2.682 826 M HA 0.500 4.981 4.480 0.001 0.000 0.272 826 M C -1.620 174.695 176.300 0.024 0.000 1.232 826 M CA -0.822 54.491 55.300 0.021 0.000 0.849 826 M CB 2.357 34.959 32.600 0.002 0.000 1.695 826 M HN 0.500 nan 8.290 nan 0.000 0.481 827 N N 1.149 119.857 118.700 0.013 0.000 2.287 827 N HA 0.652 5.393 4.740 0.001 0.000 0.289 827 N C -2.461 173.038 175.510 -0.018 0.000 1.066 827 N CA -0.306 52.756 53.050 0.020 0.000 0.841 827 N CB 2.952 41.459 38.487 0.033 0.000 1.599 827 N HN 0.681 nan 8.380 nan 0.000 0.476 828 V N 2.427 122.331 119.914 -0.016 0.000 2.604 828 V HA 0.441 4.561 4.120 0.001 0.000 0.305 828 V C -0.423 175.551 176.094 -0.199 0.000 1.043 828 V CA -0.737 61.473 62.300 -0.150 0.000 0.888 828 V CB 1.780 33.488 31.823 -0.191 0.000 0.995 828 V HN 0.602 nan 8.190 nan 0.000 0.429 829 Q N 3.577 123.185 119.800 -0.321 0.000 2.322 829 Q HA 0.657 4.998 4.340 0.001 0.000 0.265 829 Q C -1.604 174.175 176.000 -0.368 0.000 0.985 829 Q CA -0.260 55.413 55.803 -0.218 0.000 0.849 829 Q CB 2.334 31.007 28.738 -0.108 0.000 1.274 829 Q HN 0.641 nan 8.270 nan 0.000 0.449 830 F N 0.551 120.491 119.950 -0.016 0.000 2.556 830 F HA 0.759 5.286 4.527 0.001 0.000 0.327 830 F C -0.054 175.721 175.800 -0.041 0.000 1.059 830 F CA -1.061 56.938 58.000 -0.001 0.000 0.953 830 F CB 1.709 40.711 39.000 0.003 0.000 1.227 830 F HN 0.492 nan 8.300 nan 0.000 0.478 831 A N 1.117 124.080 122.820 0.239 0.000 2.343 831 A HA 0.740 5.060 4.320 0.001 0.000 0.308 831 A C -1.652 176.034 177.584 0.170 0.000 1.092 831 A CA -0.638 51.456 52.037 0.096 0.000 0.751 831 A CB 1.208 20.194 19.000 -0.022 0.000 1.203 831 A HN 0.510 nan 8.150 nan 0.000 0.452 832 V N 3.649 123.608 119.914 0.075 0.000 2.293 832 V HA 0.359 4.479 4.120 0.001 0.000 0.275 832 V C 0.065 176.189 176.094 0.050 0.000 1.021 832 V CA -0.317 62.034 62.300 0.085 0.000 0.815 832 V CB 0.979 32.807 31.823 0.009 0.000 1.025 832 V HN 0.795 nan 8.190 nan 0.000 0.448 833 K N 4.048 124.531 120.400 0.139 0.000 2.450 833 K HA 0.420 4.740 4.320 0.001 0.000 0.257 833 K C 0.076 176.753 176.600 0.128 0.000 0.953 833 K CA -0.470 55.859 56.287 0.069 0.000 0.844 833 K CB 0.646 33.102 32.500 -0.073 0.000 1.103 833 K HN 0.797 nan 8.250 nan 0.000 0.429 834 N N 3.594 122.323 118.700 0.048 0.000 2.746 834 N HA -0.262 4.479 4.740 0.001 0.000 0.250 834 N C -0.134 175.394 175.510 0.030 0.000 1.055 834 N CA 0.720 53.793 53.050 0.037 0.000 0.699 834 N CB -1.053 37.464 38.487 0.050 0.000 0.919 834 N HN 0.984 nan 8.380 nan 0.000 0.548 835 N N -1.197 117.509 118.700 0.010 0.000 2.857 835 N HA -0.243 4.497 4.740 0.001 0.000 0.242 835 N C -1.080 174.420 175.510 -0.016 0.000 0.983 835 N CA 1.461 54.503 53.050 -0.013 0.000 0.934 835 N CB -0.203 38.269 38.487 -0.025 0.000 1.115 835 N HN 0.599 nan 8.380 nan 0.000 0.593 836 E N 0.532 120.745 120.200 0.021 0.000 2.204 836 E HA 0.402 4.752 4.350 0.001 0.000 0.276 836 E C -0.601 175.989 176.600 -0.015 0.000 0.974 836 E CA -0.642 55.734 56.400 -0.039 0.000 0.815 836 E CB 2.326 31.992 29.700 -0.056 0.000 1.119 836 E HN -0.031 nan 8.360 nan 0.000 0.393 837 V N 4.087 123.923 119.914 -0.130 0.000 2.394 837 V HA 0.255 4.376 4.120 0.001 0.000 0.282 837 V C -0.998 175.060 176.094 -0.060 0.000 1.031 837 V CA -0.515 61.778 62.300 -0.011 0.000 0.881 837 V CB 0.157 31.947 31.823 -0.055 0.000 0.982 837 V HN 0.516 nan 8.190 nan 0.000 0.451 838 Y N 3.993 124.367 120.300 0.123 0.000 2.487 838 Y HA 0.632 5.182 4.550 0.001 0.000 0.337 838 Y C -0.160 175.842 175.900 0.170 0.000 1.076 838 Y CA -1.488 56.679 58.100 0.112 0.000 1.115 838 Y CB 1.513 40.003 38.460 0.049 0.000 1.235 838 Y HN 0.443 nan 8.280 nan 0.000 0.468 839 L N 3.425 124.784 121.223 0.227 0.000 2.257 839 L HA 0.384 4.725 4.340 0.001 0.000 0.290 839 L C 0.230 177.143 176.870 0.072 0.000 1.044 839 L CA 0.416 55.290 54.840 0.058 0.000 0.810 839 L CB -0.003 42.068 42.059 0.020 0.000 1.193 839 L HN 0.772 nan 8.230 nan 0.000 0.425 840 I N 2.789 123.358 120.570 -0.002 0.000 2.270 840 I HA 0.046 4.217 4.170 0.001 0.000 0.239 840 I C 0.526 176.687 176.117 0.074 0.000 1.080 840 I CA 0.629 61.945 61.300 0.026 0.000 1.383 840 I CB 0.222 38.207 38.000 -0.026 0.000 1.097 840 I HN 0.768 nan 8.210 nan 0.000 0.420 841 E N -0.597 119.600 120.200 -0.004 0.000 2.417 841 E HA 0.380 4.731 4.350 0.001 0.000 0.280 841 E C -1.749 174.741 176.600 -0.184 0.000 1.112 841 E CA -0.703 55.654 56.400 -0.072 0.000 0.863 841 E CB 2.089 31.703 29.700 -0.144 0.000 1.346 841 E HN -0.193 nan 8.360 nan 0.000 0.443 842 V N 1.881 121.554 119.914 -0.402 0.000 2.495 842 V HA 0.470 4.591 4.120 0.001 0.000 0.298 842 V C -0.917 175.021 176.094 -0.261 0.000 1.031 842 V CA -0.924 61.204 62.300 -0.287 0.000 0.871 842 V CB 1.724 33.403 31.823 -0.239 0.000 0.988 842 V HN 0.622 nan 8.190 nan 0.000 0.432 843 N N 5.567 124.186 118.700 -0.135 0.000 2.696 843 N HA 0.296 5.036 4.740 0.001 0.000 0.246 843 N C -2.575 172.911 175.510 -0.039 0.000 1.057 843 N CA -1.269 51.730 53.050 -0.085 0.000 0.867 843 N CB 2.031 40.495 38.487 -0.038 0.000 1.141 843 N HN 0.379 nan 8.380 nan 0.000 0.517 844 P HA -0.040 nan 4.420 nan 0.000 0.290 844 P C -0.202 177.110 177.300 0.020 0.000 1.584 844 P CA 0.557 63.648 63.100 -0.015 0.000 0.813 844 P CB -0.104 31.582 31.700 -0.023 0.000 1.775 845 R N -2.029 118.495 120.500 0.040 0.000 2.902 845 R HA 0.766 5.106 4.340 0.001 0.000 0.264 845 R C -1.111 175.247 176.300 0.095 0.000 1.059 845 R CA -1.229 54.924 56.100 0.088 0.000 0.935 845 R CB 0.229 30.580 30.300 0.085 0.000 1.325 845 R HN -0.161 nan 8.270 nan 0.000 0.438 846 A N 0.649 123.540 122.820 0.118 0.000 2.409 846 A HA 0.625 4.946 4.320 0.001 0.000 0.262 846 A C 0.009 177.670 177.584 0.129 0.000 1.113 846 A CA 0.047 52.100 52.037 0.028 0.000 0.790 846 A CB 0.285 19.169 19.000 -0.193 0.000 1.046 846 A HN 0.771 nan 8.150 nan 0.000 0.496 847 A N 2.052 124.901 122.820 0.049 0.000 2.269 847 A HA 0.590 4.910 4.320 0.001 0.000 0.319 847 A C 1.261 178.739 177.584 -0.175 0.000 1.110 847 A CA -0.316 51.759 52.037 0.063 0.000 0.847 847 A CB 0.406 19.437 19.000 0.052 0.000 1.161 847 A HN 1.049 nan 8.150 nan 0.000 0.497 848 R N -0.549 119.796 120.500 -0.258 0.000 2.328 848 R HA -0.082 4.258 4.340 0.001 0.000 0.207 848 R C 0.833 176.963 176.300 -0.282 0.000 1.056 848 R CA 1.827 57.608 56.100 -0.532 0.000 1.016 848 R CB -0.840 29.205 30.300 -0.425 0.000 0.872 848 R HN 0.668 nan 8.270 nan 0.000 0.471 849 T N -2.673 111.803 114.554 -0.129 0.000 3.081 849 T HA 0.120 4.471 4.350 0.001 0.000 0.255 849 T C 1.834 176.536 174.700 0.003 0.000 1.113 849 T CA 0.255 62.343 62.100 -0.020 0.000 1.082 849 T CB 0.109 69.014 68.868 0.061 0.000 0.939 849 T HN 0.022 nan 8.240 nan 0.000 0.506 850 V N 2.962 122.819 119.914 -0.095 0.000 2.287 850 V HA -0.099 4.021 4.120 0.001 0.000 0.248 850 V C -0.160 175.856 176.094 -0.130 0.000 1.053 850 V CA 1.959 64.204 62.300 -0.091 0.000 1.027 850 V CB -1.377 30.375 31.823 -0.118 0.000 0.646 850 V HN 0.411 nan 8.190 nan 0.000 0.447 851 P HA -0.169 nan 4.420 nan 0.000 0.217 851 P C 1.708 178.857 177.300 -0.252 0.000 1.150 851 P CA 1.386 64.151 63.100 -0.558 0.000 0.832 851 P CB -0.155 30.820 31.700 -1.208 0.000 0.787 852 F N 0.810 120.613 119.950 -0.244 0.000 2.069 852 F HA -0.212 4.316 4.527 0.001 0.000 0.298 852 F C 1.947 177.721 175.800 -0.043 0.000 1.113 852 F CA 1.543 59.469 58.000 -0.124 0.000 1.214 852 F CB -1.049 37.896 39.000 -0.091 0.000 0.978 852 F HN -0.313 nan 8.300 nan 0.000 0.474 853 V N -0.014 119.831 119.914 -0.115 0.000 2.332 853 V HA -0.309 3.812 4.120 0.001 0.000 0.248 853 V C 2.456 178.460 176.094 -0.150 0.000 1.055 853 V CA 2.119 64.312 62.300 -0.179 0.000 1.038 853 V CB -1.122 30.701 31.823 0.000 0.000 0.651 853 V HN 0.420 nan 8.190 nan 0.000 0.450 854 S N -0.562 115.096 115.700 -0.071 0.000 2.382 854 S HA -0.213 4.257 4.470 0.001 0.000 0.228 854 S C 2.010 176.636 174.600 0.043 0.000 1.027 854 S CA 1.473 59.682 58.200 0.014 0.000 0.991 854 S CB -0.257 63.011 63.200 0.114 0.000 0.823 854 S HN 0.464 nan 8.310 nan 0.000 0.469 855 K N 1.483 121.872 120.400 -0.019 0.000 2.167 855 K HA 0.241 4.562 4.320 0.001 0.000 0.203 855 K C 2.077 178.729 176.600 0.087 0.000 1.052 855 K CA 0.899 57.221 56.287 0.058 0.000 0.956 855 K CB -0.390 32.092 32.500 -0.029 0.000 0.735 855 K HN 0.303 nan 8.250 nan 0.000 0.451 856 A N -0.050 122.683 122.820 -0.146 0.000 1.874 856 A HA -0.110 4.211 4.320 0.001 0.000 0.214 856 A C 2.142 179.731 177.584 0.008 0.000 1.189 856 A CA 1.969 53.964 52.037 -0.071 0.000 0.615 856 A CB -1.003 17.771 19.000 -0.377 0.000 0.830 856 A HN 0.440 nan 8.150 nan 0.000 0.443 857 T N -4.426 110.062 114.554 -0.110 0.000 3.067 857 T HA 0.359 4.710 4.350 0.001 0.000 0.261 857 T C 1.558 176.098 174.700 -0.266 0.000 1.110 857 T CA 1.255 63.259 62.100 -0.160 0.000 1.113 857 T CB 0.059 68.849 68.868 -0.130 0.000 0.917 857 T HN 1.700 nan 8.240 nan 0.000 0.499 858 G N 0.589 109.165 108.800 -0.374 0.000 2.241 858 G HA2 -0.243 3.717 3.960 0.001 0.000 0.244 858 G HA3 -0.243 3.717 3.960 0.001 0.000 0.244 858 G C 0.086 174.856 174.900 -0.217 0.000 0.998 858 G CA -0.026 44.594 45.100 -0.799 0.000 0.621 858 G HN 0.767 nan 8.290 nan 0.000 0.519 859 V N 2.338 122.191 119.914 -0.102 0.000 2.498 859 V HA 0.498 4.619 4.120 0.001 0.000 0.279 859 V C -1.717 174.414 176.094 0.062 0.000 1.048 859 V CA -1.222 61.069 62.300 -0.016 0.000 0.967 859 V CB 1.601 33.412 31.823 -0.020 0.000 0.988 859 V HN 0.167 nan 8.190 nan 0.000 0.473 860 P HA 0.323 nan 4.420 nan 0.000 0.219 860 P C 0.939 178.345 177.300 0.176 0.000 1.847 860 P CA -0.347 62.870 63.100 0.194 0.000 1.059 860 P CB 0.449 32.244 31.700 0.158 0.000 1.900 861 L N 1.079 122.381 121.223 0.133 0.000 2.034 861 L HA -0.318 4.023 4.340 0.001 0.000 0.217 861 L C 2.522 179.476 176.870 0.141 0.000 1.077 861 L CA 2.316 57.218 54.840 0.103 0.000 0.769 861 L CB -1.474 40.621 42.059 0.060 0.000 0.890 861 L HN 0.167 nan 8.230 nan 0.000 0.435 862 A N -0.142 122.776 122.820 0.163 0.000 1.908 862 A HA -0.220 4.100 4.320 0.001 0.000 0.218 862 A C 2.388 180.177 177.584 0.342 0.000 1.181 862 A CA 1.889 54.044 52.037 0.197 0.000 0.627 862 A CB -0.392 18.645 19.000 0.061 0.000 0.818 862 A HN 0.379 nan 8.150 nan 0.000 0.445 863 K N -0.435 120.129 120.400 0.273 0.000 2.002 863 K HA -0.081 4.239 4.320 0.001 0.000 0.209 863 K C 2.019 178.693 176.600 0.124 0.000 1.048 863 K CA 1.476 57.855 56.287 0.153 0.000 0.930 863 K CB -0.642 31.890 32.500 0.053 0.000 0.714 863 K HN 0.345 nan 8.250 nan 0.000 0.438 864 V N 1.785 121.770 119.914 0.119 0.000 2.220 864 V HA -0.276 3.844 4.120 0.001 0.000 0.246 864 V C 2.496 178.650 176.094 0.100 0.000 1.049 864 V CA 2.209 64.563 62.300 0.090 0.000 1.003 864 V CB -0.920 30.947 31.823 0.073 0.000 0.634 864 V HN 0.376 nan 8.190 nan 0.000 0.444 865 A N -0.249 122.655 122.820 0.139 0.000 2.024 865 A HA -0.106 4.215 4.320 0.001 0.000 0.220 865 A C 2.369 180.024 177.584 0.119 0.000 1.164 865 A CA 2.091 54.215 52.037 0.146 0.000 0.643 865 A CB -0.717 18.403 19.000 0.200 0.000 0.806 865 A HN 0.620 nan 8.150 nan 0.000 0.451 866 A N 0.197 123.100 122.820 0.139 0.000 1.877 866 A HA -0.166 4.154 4.320 0.001 0.000 0.216 866 A C 2.242 179.808 177.584 -0.031 0.000 1.186 866 A CA 1.461 53.497 52.037 -0.001 0.000 0.620 866 A CB -0.480 18.539 19.000 0.031 0.000 0.822 866 A HN 0.571 nan 8.150 nan 0.000 0.443 867 R N -0.581 119.932 120.500 0.022 0.000 2.091 867 R HA -0.096 4.244 4.340 0.001 0.000 0.238 867 R C 2.011 178.322 176.300 0.019 0.000 1.136 867 R CA 1.463 57.579 56.100 0.028 0.000 0.959 867 R CB -0.798 29.534 30.300 0.054 0.000 0.856 867 R HN 0.378 nan 8.270 nan 0.000 0.437 868 V N 1.789 121.718 119.914 0.026 0.000 2.332 868 V HA -0.285 3.835 4.120 0.001 0.000 0.248 868 V C 2.365 178.459 176.094 -0.001 0.000 1.055 868 V CA 1.942 64.255 62.300 0.022 0.000 1.038 868 V CB -0.429 31.412 31.823 0.030 0.000 0.651 868 V HN 0.349 nan 8.190 nan 0.000 0.450 869 M N 0.053 119.637 119.600 -0.026 0.000 2.296 869 M HA -0.038 4.443 4.480 0.001 0.000 0.265 869 M C 1.985 178.241 176.300 -0.074 0.000 1.064 869 M CA 1.774 57.041 55.300 -0.055 0.000 1.109 869 M CB -0.482 32.059 32.600 -0.098 0.000 1.396 869 M HN 0.338 nan 8.290 nan 0.000 0.430 870 A N 0.205 122.971 122.820 -0.090 0.000 2.276 870 A HA 0.432 4.752 4.320 0.001 0.000 0.212 870 A C 1.598 179.180 177.584 -0.004 0.000 1.230 870 A CA 0.711 52.677 52.037 -0.118 0.000 0.844 870 A CB -0.800 18.047 19.000 -0.256 0.000 0.860 870 A HN 0.680 nan 8.150 nan 0.000 0.486 871 G N -0.976 107.831 108.800 0.012 0.000 2.179 871 G HA2 -0.210 3.751 3.960 0.001 0.000 0.220 871 G HA3 -0.210 3.751 3.960 0.001 0.000 0.220 871 G C 0.152 175.081 174.900 0.049 0.000 0.990 871 G CA 0.261 45.384 45.100 0.039 0.000 0.646 871 G HN 0.583 nan 8.290 nan 0.000 0.517 872 K N 1.680 122.109 120.400 0.049 0.000 2.293 872 K HA 0.560 4.881 4.320 0.001 0.000 0.267 872 K C 0.990 177.615 176.600 0.041 0.000 1.010 872 K CA 0.173 56.489 56.287 0.050 0.000 0.875 872 K CB 0.822 33.358 32.500 0.060 0.000 1.106 872 K HN 0.413 nan 8.250 nan 0.000 0.450 873 S N 3.559 119.282 115.700 0.038 0.000 2.584 873 S HA 0.051 4.521 4.470 0.001 0.000 0.270 873 S C 1.478 176.100 174.600 0.036 0.000 1.346 873 S CA -0.451 57.772 58.200 0.038 0.000 1.018 873 S CB 0.577 63.800 63.200 0.039 0.000 0.899 873 S HN 0.686 nan 8.310 nan 0.000 0.542 874 L N 2.004 123.249 121.223 0.036 0.000 2.042 874 L HA -0.125 4.216 4.340 0.001 0.000 0.210 874 L C 3.075 179.963 176.870 0.030 0.000 1.076 874 L CA 1.743 56.603 54.840 0.033 0.000 0.749 874 L CB -1.182 40.896 42.059 0.032 0.000 0.893 874 L HN 0.961 nan 8.230 nan 0.000 0.432 875 A N -0.044 122.795 122.820 0.032 0.000 1.865 875 A HA -0.264 4.056 4.320 0.001 0.000 0.217 875 A C 2.153 179.751 177.584 0.024 0.000 1.191 875 A CA 1.951 54.004 52.037 0.027 0.000 0.623 875 A CB -0.596 18.422 19.000 0.030 0.000 0.826 875 A HN 0.455 nan 8.150 nan 0.000 0.444 876 E N -0.387 119.829 120.200 0.026 0.000 2.097 876 E HA -0.262 4.088 4.350 0.001 0.000 0.196 876 E C 2.326 178.940 176.600 0.023 0.000 1.000 876 E CA 1.617 58.031 56.400 0.024 0.000 0.804 876 E CB -0.228 29.489 29.700 0.028 0.000 0.740 876 E HN 0.761 nan 8.360 nan 0.000 0.454 877 Q N -1.005 118.810 119.800 0.026 0.000 2.119 877 Q HA -0.045 4.295 4.340 0.001 0.000 0.201 877 Q C 1.343 177.354 176.000 0.019 0.000 0.972 877 Q CA 0.928 56.746 55.803 0.025 0.000 0.847 877 Q CB 0.268 29.024 28.738 0.029 0.000 0.903 877 Q HN 0.431 nan 8.270 nan 0.000 0.433 878 G N 0.298 109.109 108.800 0.018 0.000 2.131 878 G HA2 -0.190 3.771 3.960 0.001 0.000 0.201 878 G HA3 -0.190 3.771 3.960 0.001 0.000 0.201 878 G C -0.158 174.748 174.900 0.010 0.000 1.000 878 G CA -0.046 45.062 45.100 0.013 0.000 0.680 878 G HN 0.178 nan 8.290 nan 0.000 0.514 879 V N 1.855 121.777 119.914 0.014 0.000 2.266 879 V HA 0.568 4.688 4.120 0.001 0.000 0.271 879 V C 1.048 177.150 176.094 0.013 0.000 1.032 879 V CA 0.512 62.818 62.300 0.011 0.000 0.806 879 V CB 0.548 32.380 31.823 0.015 0.000 1.052 879 V HN 0.587 nan 8.190 nan 0.000 0.449 880 T N -0.248 114.311 114.554 0.009 0.000 2.989 880 T HA 0.256 4.607 4.350 0.001 0.000 0.250 880 T C 0.604 175.309 174.700 0.008 0.000 0.981 880 T CA -0.241 61.866 62.100 0.013 0.000 0.980 880 T CB 0.512 69.388 68.868 0.014 0.000 1.133 880 T HN 0.372 nan 8.240 nan 0.000 0.489 881 K N 2.662 123.061 120.400 -0.001 0.000 2.156 881 K HA 0.406 4.727 4.320 0.001 0.000 0.271 881 K C -0.312 176.278 176.600 -0.017 0.000 0.995 881 K CA -0.394 55.888 56.287 -0.008 0.000 0.890 881 K CB 2.211 34.703 32.500 -0.013 0.000 1.073 881 K HN 0.483 nan 8.250 nan 0.000 0.454 882 E N 2.440 122.629 120.200 -0.018 0.000 2.324 882 E HA 0.073 4.424 4.350 0.001 0.000 0.271 882 E C -0.784 175.788 176.600 -0.046 0.000 1.028 882 E CA -0.443 55.941 56.400 -0.026 0.000 0.890 882 E CB 0.733 30.421 29.700 -0.019 0.000 1.004 882 E HN 0.161 nan 8.360 nan 0.000 0.431 883 V N 6.663 126.542 119.914 -0.060 0.000 2.498 883 V HA 0.219 4.340 4.120 0.001 0.000 0.279 883 V C 0.393 176.421 176.094 -0.109 0.000 1.048 883 V CA -0.163 62.082 62.300 -0.091 0.000 0.967 883 V CB 0.826 32.582 31.823 -0.112 0.000 0.988 883 V HN 0.659 nan 8.190 nan 0.000 0.473 884 I N 7.252 127.744 120.570 -0.130 0.000 2.495 884 I HA 0.335 4.505 4.170 0.001 0.000 0.277 884 I C -2.105 173.873 176.117 -0.230 0.000 1.045 884 I CA -1.806 59.401 61.300 -0.155 0.000 1.135 884 I CB 2.106 40.038 38.000 -0.115 0.000 1.241 884 I HN 0.519 nan 8.210 nan 0.000 0.469 885 P HA 0.083 nan 4.420 nan 0.000 0.267 885 P C -2.178 174.791 177.300 -0.551 0.000 1.201 885 P CA -0.924 61.821 63.100 -0.591 0.000 0.775 885 P CB -0.116 31.027 31.700 -0.929 0.000 0.854 886 P HA 0.048 nan 4.420 nan 0.000 0.249 886 P C -0.427 176.774 177.300 -0.165 0.000 1.229 886 P CA 0.709 63.658 63.100 -0.251 0.000 0.788 886 P CB -0.184 31.472 31.700 -0.074 0.000 1.072 887 Y N -2.924 117.327 120.300 -0.081 0.000 2.665 887 Y HA 0.668 5.219 4.550 0.001 0.000 0.336 887 Y C -0.797 175.036 175.900 -0.112 0.000 1.085 887 Y CA -2.432 55.644 58.100 -0.040 0.000 1.096 887 Y CB 0.160 38.640 38.460 0.034 0.000 1.301 887 Y HN -0.351 nan 8.280 nan 0.000 0.493 888 Y N 0.496 121.006 120.300 0.349 0.000 2.341 888 Y HA 0.639 5.190 4.550 0.001 0.000 0.337 888 Y C -0.314 175.779 175.900 0.321 0.000 1.014 888 Y CA -0.413 57.860 58.100 0.287 0.000 1.111 888 Y CB 2.155 40.771 38.460 0.260 0.000 1.194 888 Y HN 0.649 nan 8.280 nan 0.000 0.462 889 S N 2.544 118.534 115.700 0.483 0.000 2.519 889 S HA 0.667 5.138 4.470 0.001 0.000 0.309 889 S C -1.140 173.779 174.600 0.532 0.000 1.100 889 S CA -0.729 57.713 58.200 0.403 0.000 1.059 889 S CB 1.408 64.741 63.200 0.220 0.000 1.008 889 S HN 0.324 nan 8.310 nan 0.000 0.478 890 V N 3.960 124.115 119.914 0.402 0.000 2.540 890 V HA 0.500 4.620 4.120 0.001 0.000 0.302 890 V C -0.104 176.039 176.094 0.083 0.000 1.035 890 V CA -0.779 61.674 62.300 0.254 0.000 0.873 890 V CB 1.857 33.722 31.823 0.069 0.000 0.992 890 V HN 0.745 nan 8.190 nan 0.000 0.428 891 K N 3.664 123.921 120.400 -0.238 0.000 2.185 891 K HA 0.646 4.966 4.320 0.001 0.000 0.269 891 K C -0.944 175.473 176.600 -0.305 0.000 0.987 891 K CA -0.361 55.636 56.287 -0.483 0.000 0.865 891 K CB 1.925 33.736 32.500 -1.149 0.000 1.090 891 K HN 0.732 nan 8.250 nan 0.000 0.450 892 E N 2.621 122.672 120.200 -0.250 0.000 2.336 892 E HA 0.362 4.712 4.350 0.001 0.000 0.267 892 E C -1.311 175.194 176.600 -0.158 0.000 0.906 892 E CA -0.869 55.407 56.400 -0.208 0.000 0.781 892 E CB 1.769 31.312 29.700 -0.262 0.000 1.261 892 E HN 0.390 nan 8.360 nan 0.000 0.436 893 V N 0.340 120.186 119.914 -0.112 0.000 3.193 893 V HA 0.893 5.014 4.120 0.001 0.000 0.320 893 V C -0.285 175.773 176.094 -0.061 0.000 1.112 893 V CA -0.540 61.709 62.300 -0.085 0.000 1.026 893 V CB 1.503 33.286 31.823 -0.066 0.000 1.128 893 V HN 0.646 nan 8.190 nan 0.000 0.452 894 V N 0.148 120.030 119.914 -0.054 0.000 2.588 894 V HA 0.783 4.904 4.120 0.001 0.000 0.304 894 V C -0.774 175.283 176.094 -0.061 0.000 1.042 894 V CA -0.582 61.692 62.300 -0.043 0.000 0.877 894 V CB 0.985 32.785 31.823 -0.039 0.000 0.996 894 V HN 0.869 nan 8.190 nan 0.000 0.425 895 L N 5.699 126.880 121.223 -0.070 0.000 2.334 895 L HA 0.687 5.027 4.340 0.001 0.000 0.273 895 L C -1.623 175.123 176.870 -0.205 0.000 1.013 895 L CA -1.449 53.273 54.840 -0.197 0.000 0.816 895 L CB 2.399 44.253 42.059 -0.341 0.000 1.278 895 L HN 0.453 nan 8.230 nan 0.000 0.431 896 P HA 0.058 nan 4.420 nan 0.000 0.253 896 P C 1.233 178.436 177.300 -0.160 0.000 1.260 896 P CA 0.190 63.160 63.100 -0.217 0.000 0.800 896 P CB 0.080 31.685 31.700 -0.159 0.000 1.162 897 F N 2.888 122.885 119.950 0.078 0.000 2.115 897 F HA -0.252 4.275 4.527 0.001 0.000 0.300 897 F C 2.233 178.034 175.800 0.002 0.000 1.092 897 F CA 1.727 59.790 58.000 0.105 0.000 1.245 897 F CB -1.875 37.212 39.000 0.145 0.000 0.995 897 F HN 0.128 nan 8.300 nan 0.000 0.481 898 N N 0.540 119.321 118.700 0.135 0.000 2.348 898 N HA -0.204 4.537 4.740 0.001 0.000 0.185 898 N C 1.288 176.715 175.510 -0.139 0.000 1.019 898 N CA 1.219 54.277 53.050 0.012 0.000 0.880 898 N CB -0.508 37.979 38.487 -0.000 0.000 0.965 898 N HN 0.179 nan 8.380 nan 0.000 0.437 899 K N -0.232 119.964 120.400 -0.341 0.000 2.296 899 K HA 0.076 4.396 4.320 0.001 0.000 0.200 899 K C -0.202 175.863 176.600 -0.892 0.000 1.048 899 K CA 0.310 56.165 56.287 -0.720 0.000 0.966 899 K CB -0.041 31.756 32.500 -1.172 0.000 0.754 899 K HN 0.290 nan 8.250 nan 0.000 0.466 900 F N 0.936 120.858 119.950 -0.046 0.000 2.531 900 F HA 0.282 4.809 4.527 0.001 0.000 0.333 900 F C -1.772 174.068 175.800 0.067 0.000 1.292 900 F CA -2.669 55.334 58.000 0.004 0.000 1.184 900 F CB 1.230 40.197 39.000 -0.055 0.000 1.426 900 F HN -0.141 nan 8.300 nan 0.000 0.559 901 P HA -0.178 nan 4.420 nan 0.000 0.217 901 P C 1.857 179.222 177.300 0.108 0.000 1.151 901 P CA 1.588 64.743 63.100 0.092 0.000 0.849 901 P CB 0.205 31.921 31.700 0.026 0.000 0.787 902 G N -0.776 108.106 108.800 0.137 0.000 2.625 902 G HA2 -0.005 3.955 3.960 0.001 0.000 0.214 902 G HA3 -0.005 3.955 3.960 0.001 0.000 0.214 902 G C 0.489 175.465 174.900 0.126 0.000 1.132 902 G CA 0.080 45.247 45.100 0.111 0.000 0.782 902 G HN 0.220 nan 8.290 nan 0.000 0.538 903 V N 0.432 120.462 119.914 0.192 0.000 2.743 903 V HA 0.223 4.343 4.120 0.001 0.000 0.301 903 V C -0.262 175.876 176.094 0.073 0.000 1.057 903 V CA -1.032 61.387 62.300 0.199 0.000 1.006 903 V CB 1.902 33.962 31.823 0.395 0.000 1.024 903 V HN 0.116 nan 8.190 nan 0.000 0.473 904 D N 4.693 125.098 120.400 0.008 0.000 2.336 904 D HA 0.216 4.856 4.640 0.001 0.000 0.249 904 D C -2.126 173.968 176.300 -0.343 0.000 1.213 904 D CA -2.031 51.900 54.000 -0.115 0.000 0.870 904 D CB 1.378 42.137 40.800 -0.068 0.000 1.076 904 D HN 0.243 nan 8.370 nan 0.000 0.483 905 P HA 0.132 nan 4.420 nan 0.000 0.232 905 P C -0.732 176.138 177.300 -0.716 0.000 1.738 905 P CA -0.332 61.996 63.100 -1.287 0.000 0.948 905 P CB -0.259 31.134 31.700 -0.511 0.000 1.943 906 L N 0.597 121.526 121.223 -0.490 0.000 2.362 906 L HA 0.412 4.753 4.340 0.001 0.000 0.271 906 L C -0.640 176.287 176.870 0.095 0.000 1.002 906 L CA -1.144 53.650 54.840 -0.078 0.000 0.818 906 L CB 1.580 43.607 42.059 -0.055 0.000 1.298 906 L HN -0.083 nan 8.230 nan 0.000 0.420 907 L N 3.870 125.180 121.223 0.145 0.000 2.418 907 L HA 0.812 5.152 4.340 0.001 0.000 0.265 907 L C 0.681 177.632 176.870 0.134 0.000 1.143 907 L CA 0.027 54.975 54.840 0.180 0.000 0.809 907 L CB 0.828 42.984 42.059 0.162 0.000 1.124 907 L HN 0.820 nan 8.230 nan 0.000 0.456 908 G N 0.709 109.591 108.800 0.138 0.000 2.634 908 G HA2 0.386 4.347 3.960 0.001 0.000 0.309 908 G HA3 0.386 4.347 3.960 0.001 0.000 0.309 908 G C -2.628 172.344 174.900 0.121 0.000 1.299 908 G CA -0.359 44.801 45.100 0.099 0.000 0.798 908 G HN 0.328 nan 8.290 nan 0.000 0.490 909 P HA 0.044 nan 4.420 nan 0.000 0.233 909 P C 0.307 177.715 177.300 0.181 0.000 1.167 909 P CA 0.852 64.023 63.100 0.119 0.000 0.770 909 P CB 0.510 32.225 31.700 0.025 0.000 0.837 910 E N 0.077 120.329 120.200 0.086 0.000 2.175 910 E HA 0.307 4.657 4.350 0.001 0.000 0.278 910 E C -0.370 176.168 176.600 -0.103 0.000 0.969 910 E CA -0.901 55.490 56.400 -0.014 0.000 0.796 910 E CB 0.799 30.465 29.700 -0.056 0.000 1.104 910 E HN -0.088 nan 8.360 nan 0.000 0.395 911 M N 4.414 123.779 119.600 -0.392 0.000 2.217 911 M HA 0.160 4.641 4.480 0.001 0.000 0.354 911 M C 0.170 176.336 176.300 -0.223 0.000 1.225 911 M CA 0.488 55.561 55.300 -0.379 0.000 1.137 911 M CB 0.477 32.642 32.600 -0.725 0.000 1.576 911 M HN 0.555 nan 8.290 nan 0.000 0.461 912 R N 1.039 121.462 120.500 -0.127 0.000 2.555 912 R HA 0.167 4.508 4.340 0.001 0.000 0.312 912 R C -0.063 176.205 176.300 -0.053 0.000 0.938 912 R CA 0.148 56.187 56.100 -0.103 0.000 1.112 912 R CB 0.731 30.985 30.300 -0.077 0.000 1.535 912 R HN 0.862 nan 8.270 nan 0.000 0.525 913 S N -0.501 115.156 115.700 -0.072 0.000 2.572 913 S HA 0.016 4.487 4.470 0.001 0.000 0.279 913 S C 1.187 175.766 174.600 -0.035 0.000 1.341 913 S CA 0.226 58.386 58.200 -0.066 0.000 1.043 913 S CB 1.529 64.695 63.200 -0.057 0.000 0.887 913 S HN 0.287 nan 8.310 nan 0.000 0.516 914 T N -0.345 114.188 114.554 -0.036 0.000 3.023 914 T HA 0.477 4.827 4.350 0.001 0.000 0.249 914 T C 0.843 175.528 174.700 -0.024 0.000 1.050 914 T CA 0.275 62.364 62.100 -0.018 0.000 1.088 914 T CB -0.218 68.638 68.868 -0.021 0.000 0.946 914 T HN 1.040 nan 8.240 nan 0.000 0.480 915 G N 0.491 109.268 108.800 -0.038 0.000 2.827 915 G HA2 0.651 4.611 3.960 0.001 0.000 0.296 915 G HA3 0.651 4.611 3.960 0.001 0.000 0.296 915 G C -1.952 172.912 174.900 -0.060 0.000 1.362 915 G CA -0.839 44.237 45.100 -0.041 0.000 0.809 915 G HN 0.554 nan 8.290 nan 0.000 0.522 916 E N -2.215 117.946 120.200 -0.064 0.000 2.423 916 E HA 0.615 4.965 4.350 0.001 0.000 0.280 916 E C -1.378 175.181 176.600 -0.068 0.000 1.030 916 E CA -1.016 55.333 56.400 -0.086 0.000 0.812 916 E CB 2.078 31.705 29.700 -0.122 0.000 1.313 916 E HN 1.180 nan 8.360 nan 0.000 0.456 917 V N -1.656 118.210 119.914 -0.081 0.000 3.130 917 V HA 0.750 4.871 4.120 0.001 0.000 0.310 917 V C -0.722 175.349 176.094 -0.039 0.000 1.158 917 V CA -1.055 61.212 62.300 -0.054 0.000 1.029 917 V CB 1.892 33.676 31.823 -0.063 0.000 1.057 917 V HN 0.916 nan 8.190 nan 0.000 0.436 918 M N 2.261 121.872 119.600 0.018 0.000 2.456 918 M HA 0.851 5.331 4.480 0.001 0.000 0.324 918 M C -0.247 176.079 176.300 0.042 0.000 1.124 918 M CA -0.252 55.110 55.300 0.102 0.000 0.959 918 M CB 1.940 34.658 32.600 0.196 0.000 1.692 918 M HN 1.189 nan 8.290 nan 0.000 0.444 919 G N 3.381 112.216 108.800 0.058 0.000 2.609 919 G HA2 0.617 4.577 3.960 0.001 0.000 0.308 919 G HA3 0.617 4.577 3.960 0.001 0.000 0.308 919 G C -1.702 173.235 174.900 0.062 0.000 1.369 919 G CA -0.432 44.668 45.100 -0.000 0.000 0.958 919 G HN 0.600 nan 8.290 nan 0.000 0.499 920 V N 1.479 121.408 119.914 0.025 0.000 2.398 920 V HA 0.929 5.049 4.120 0.001 0.000 0.286 920 V C 0.658 176.773 176.094 0.035 0.000 1.026 920 V CA 0.017 62.331 62.300 0.024 0.000 0.868 920 V CB 1.220 32.980 31.823 -0.105 0.000 0.982 920 V HN 1.107 nan 8.190 nan 0.000 0.443 921 G N 3.375 112.251 108.800 0.127 0.000 2.698 921 G HA2 0.469 4.430 3.960 0.001 0.000 0.293 921 G HA3 0.469 4.430 3.960 0.001 0.000 0.293 921 G C -0.163 174.879 174.900 0.238 0.000 1.437 921 G CA -0.814 44.362 45.100 0.127 0.000 0.852 921 G HN 0.521 nan 8.290 nan 0.000 0.499 922 R N -0.899 119.709 120.500 0.179 0.000 2.237 922 R HA 0.115 4.455 4.340 0.001 0.000 0.219 922 R C 1.015 177.485 176.300 0.283 0.000 1.080 922 R CA 1.460 57.685 56.100 0.210 0.000 0.995 922 R CB -0.007 30.373 30.300 0.134 0.000 0.875 922 R HN 0.650 nan 8.270 nan 0.000 0.462 923 T N -4.423 110.278 114.554 0.245 0.000 2.900 923 T HA 0.180 4.530 4.350 0.001 0.000 0.303 923 T C 0.328 175.037 174.700 0.016 0.000 1.142 923 T CA -0.938 61.280 62.100 0.196 0.000 1.007 923 T CB 1.309 70.244 68.868 0.111 0.000 1.156 923 T HN 0.037 nan 8.240 nan 0.000 0.490 924 F N 2.130 121.778 119.950 -0.503 0.000 2.161 924 F HA 0.057 4.585 4.527 0.001 0.000 0.300 924 F C 2.349 178.040 175.800 -0.182 0.000 1.089 924 F CA 1.884 59.520 58.000 -0.606 0.000 1.282 924 F CB -0.731 37.791 39.000 -0.796 0.000 1.010 924 F HN 0.778 nan 8.300 nan 0.000 0.485 925 A N -0.054 122.620 122.820 -0.243 0.000 1.933 925 A HA -0.200 4.120 4.320 0.001 0.000 0.218 925 A C 2.279 179.741 177.584 -0.204 0.000 1.175 925 A CA 1.720 53.597 52.037 -0.266 0.000 0.628 925 A CB -0.952 18.016 19.000 -0.053 0.000 0.814 925 A HN 0.602 nan 8.150 nan 0.000 0.444 926 E N -0.260 119.873 120.200 -0.112 0.000 2.028 926 E HA -0.097 4.253 4.350 0.001 0.000 0.191 926 E C 2.272 178.817 176.600 -0.091 0.000 0.988 926 E CA 0.897 57.257 56.400 -0.067 0.000 0.799 926 E CB -0.234 29.465 29.700 -0.002 0.000 0.755 926 E HN 0.533 nan 8.360 nan 0.000 0.447 927 A N 0.697 123.471 122.820 -0.076 0.000 1.883 927 A HA -0.219 4.101 4.320 0.001 0.000 0.217 927 A C 2.018 179.495 177.584 -0.179 0.000 1.186 927 A CA 1.457 53.462 52.037 -0.053 0.000 0.624 927 A CB -0.981 18.069 19.000 0.083 0.000 0.822 927 A HN 0.459 nan 8.150 nan 0.000 0.444 928 F N 0.667 120.310 119.950 -0.510 0.000 2.069 928 F HA -0.114 4.413 4.527 0.001 0.000 0.298 928 F C 2.641 178.246 175.800 -0.324 0.000 1.113 928 F CA 1.482 59.152 58.000 -0.549 0.000 1.214 928 F CB -0.381 38.032 39.000 -0.978 0.000 0.978 928 F HN 0.256 nan 8.300 nan 0.000 0.474 929 A N -0.268 122.478 122.820 -0.124 0.000 1.940 929 A HA -0.234 4.087 4.320 0.001 0.000 0.219 929 A C 2.160 179.625 177.584 -0.199 0.000 1.176 929 A CA 2.012 53.970 52.037 -0.132 0.000 0.631 929 A CB -0.645 18.297 19.000 -0.097 0.000 0.814 929 A HN 0.446 nan 8.150 nan 0.000 0.446 930 K N -0.374 119.916 120.400 -0.184 0.000 2.025 930 K HA 0.055 4.375 4.320 0.001 0.000 0.207 930 K C 2.341 178.823 176.600 -0.197 0.000 1.049 930 K CA 1.090 57.282 56.287 -0.158 0.000 0.933 930 K CB -0.345 32.092 32.500 -0.105 0.000 0.714 930 K HN 0.413 nan 8.250 nan 0.000 0.438 931 A N 1.191 123.848 122.820 -0.273 0.000 1.883 931 A HA -0.296 4.025 4.320 0.001 0.000 0.217 931 A C 2.162 179.526 177.584 -0.367 0.000 1.186 931 A CA 1.790 53.637 52.037 -0.316 0.000 0.624 931 A CB -0.659 18.105 19.000 -0.392 0.000 0.822 931 A HN 0.397 nan 8.150 nan 0.000 0.444 932 Q N -1.099 118.395 119.800 -0.511 0.000 2.096 932 Q HA -0.189 4.152 4.340 0.001 0.000 0.204 932 Q C 1.991 177.861 176.000 -0.217 0.000 0.982 932 Q CA 1.752 57.318 55.803 -0.395 0.000 0.850 932 Q CB -0.213 28.278 28.738 -0.413 0.000 0.901 932 Q HN 0.562 nan 8.270 nan 0.000 0.422 933 L N -0.033 121.078 121.223 -0.186 0.000 2.109 933 L HA 0.047 4.388 4.340 0.001 0.000 0.207 933 L C 2.083 178.913 176.870 -0.067 0.000 1.086 933 L CA 2.174 56.945 54.840 -0.114 0.000 0.760 933 L CB -0.849 41.133 42.059 -0.129 0.000 0.910 933 L HN 0.247 nan 8.230 nan 0.000 0.437 934 G N -1.366 107.379 108.800 -0.091 0.000 2.432 934 G HA2 -0.266 3.695 3.960 0.001 0.000 0.219 934 G HA3 -0.266 3.695 3.960 0.001 0.000 0.219 934 G C 1.473 176.338 174.900 -0.057 0.000 1.135 934 G CA 0.842 45.904 45.100 -0.063 0.000 0.767 934 G HN 0.567 nan 8.290 nan 0.000 0.550 935 S N -0.477 115.174 115.700 -0.081 0.000 2.701 935 S HA 0.065 4.536 4.470 0.001 0.000 0.220 935 S C 1.023 175.610 174.600 -0.021 0.000 0.954 935 S CA 0.629 58.793 58.200 -0.061 0.000 0.936 935 S CB -0.675 62.472 63.200 -0.088 0.000 0.777 935 S HN 0.548 nan 8.310 nan 0.000 0.518 936 N N 0.433 119.127 118.700 -0.010 0.000 2.776 936 N HA -0.194 4.547 4.740 0.001 0.000 0.250 936 N C -0.172 175.366 175.510 0.045 0.000 1.112 936 N CA 0.593 53.657 53.050 0.022 0.000 0.733 936 N CB -1.566 36.934 38.487 0.022 0.000 1.097 936 N HN 0.613 nan 8.380 nan 0.000 0.558 937 S N -0.486 115.228 115.700 0.024 0.000 2.573 937 S HA 0.179 4.649 4.470 0.001 0.000 0.277 937 S C 1.512 176.156 174.600 0.073 0.000 1.346 937 S CA 0.852 59.093 58.200 0.067 0.000 1.034 937 S CB 1.115 64.269 63.200 -0.077 0.000 0.879 937 S HN 0.327 nan 8.310 nan 0.000 0.528 938 T N 2.005 116.654 114.554 0.158 0.000 3.134 938 T HA 0.256 4.607 4.350 0.001 0.000 0.260 938 T C 0.487 175.269 174.700 0.136 0.000 1.027 938 T CA -0.475 61.714 62.100 0.147 0.000 0.913 938 T CB -0.291 68.688 68.868 0.184 0.000 1.046 938 T HN 0.562 nan 8.240 nan 0.000 0.553 939 M N 3.175 122.798 119.600 0.039 0.000 2.248 939 M HA 0.218 4.699 4.480 0.001 0.000 0.343 939 M C -0.335 175.978 176.300 0.021 0.000 1.243 939 M CA 0.164 55.457 55.300 -0.012 0.000 1.025 939 M CB 0.147 32.530 32.600 -0.362 0.000 1.759 939 M HN -0.040 nan 8.290 nan 0.000 0.452 940 K N 4.298 124.744 120.400 0.076 0.000 2.306 940 K HA 0.387 4.707 4.320 0.001 0.000 0.236 940 K C 0.047 176.701 176.600 0.090 0.000 1.013 940 K CA -0.683 55.610 56.287 0.010 0.000 0.857 940 K CB 1.187 33.566 32.500 -0.201 0.000 1.214 940 K HN 0.635 nan 8.250 nan 0.000 0.449 941 K N 0.865 121.293 120.400 0.047 0.000 2.393 941 K HA 0.019 4.340 4.320 0.001 0.000 0.193 941 K C 0.662 177.200 176.600 -0.105 0.000 1.026 941 K CA 0.450 56.802 56.287 0.108 0.000 1.064 941 K CB 0.283 32.844 32.500 0.102 0.000 0.833 941 K HN 0.623 nan 8.250 nan 0.000 0.521 942 H N -2.004 116.808 119.070 -0.429 0.000 3.038 942 H HA 0.584 5.141 4.556 0.001 0.000 0.289 942 H C 0.331 175.149 175.328 -0.850 0.000 1.510 942 H CA -0.061 55.460 56.048 -0.879 0.000 1.227 942 H CB 1.014 30.544 29.762 -0.388 0.000 1.880 942 H HN 0.075 nan 8.280 nan 0.000 0.594 943 G N 0.437 108.900 108.800 -0.563 0.000 2.451 943 G HA2 -0.106 3.855 3.960 0.001 0.000 0.208 943 G HA3 -0.106 3.855 3.960 0.001 0.000 0.208 943 G C -1.036 173.900 174.900 0.060 0.000 1.248 943 G CA -0.250 44.756 45.100 -0.156 0.000 0.989 943 G HN 0.842 nan 8.290 nan 0.000 0.559 944 R N 0.258 120.921 120.500 0.271 0.000 2.437 944 R HA 0.696 5.037 4.340 0.001 0.000 0.310 944 R C 0.098 176.728 176.300 0.549 0.000 0.955 944 R CA 0.084 56.419 56.100 0.393 0.000 0.851 944 R CB 1.215 31.668 30.300 0.255 0.000 1.161 944 R HN 1.481 nan 8.270 nan 0.000 0.446 945 A N 4.497 127.601 122.820 0.473 0.000 2.306 945 A HA 0.461 4.782 4.320 0.001 0.000 0.314 945 A C -1.215 176.397 177.584 0.046 0.000 1.164 945 A CA -0.718 51.473 52.037 0.257 0.000 0.822 945 A CB 1.090 20.185 19.000 0.159 0.000 1.130 945 A HN 0.636 nan 8.150 nan 0.000 0.496 946 L N 2.601 123.647 121.223 -0.294 0.000 2.307 946 L HA 0.723 5.063 4.340 0.001 0.000 0.284 946 L C -1.416 175.259 176.870 -0.324 0.000 1.023 946 L CA -0.299 54.254 54.840 -0.479 0.000 0.810 946 L CB 1.160 42.560 42.059 -1.098 0.000 1.231 946 L HN 0.504 nan 8.230 nan 0.000 0.423 947 L N 4.547 125.650 121.223 -0.201 0.000 2.349 947 L HA 0.641 4.982 4.340 0.001 0.000 0.278 947 L C -0.197 176.599 176.870 -0.122 0.000 0.996 947 L CA 0.064 54.813 54.840 -0.151 0.000 0.825 947 L CB 1.741 43.747 42.059 -0.087 0.000 1.243 947 L HN 0.658 nan 8.230 nan 0.000 0.412 948 S N 2.864 118.491 115.700 -0.122 0.000 2.461 948 S HA 0.663 5.133 4.470 0.001 0.000 0.216 948 S C -0.834 173.724 174.600 -0.069 0.000 1.201 948 S CA -0.531 57.617 58.200 -0.087 0.000 1.171 948 S CB 0.494 63.631 63.200 -0.106 0.000 1.169 948 S HN 0.400 nan 8.310 nan 0.000 0.456 949 V N 2.960 122.848 119.914 -0.044 0.000 2.919 949 V HA 0.829 4.949 4.120 0.001 0.000 0.316 949 V C -0.096 175.989 176.094 -0.017 0.000 1.077 949 V CA -1.482 60.800 62.300 -0.029 0.000 0.977 949 V CB 1.432 33.243 31.823 -0.020 0.000 1.039 949 V HN 0.848 nan 8.190 nan 0.000 0.441 950 R N 0.444 120.935 120.500 -0.014 0.000 2.637 950 R HA 0.471 4.812 4.340 0.001 0.000 0.269 950 R C 1.005 177.302 176.300 -0.005 0.000 1.089 950 R CA -0.231 55.859 56.100 -0.018 0.000 1.177 950 R CB 0.264 30.546 30.300 -0.030 0.000 1.091 950 R HN 0.724 nan 8.270 nan 0.000 0.540 951 E N 1.432 121.625 120.200 -0.011 0.000 2.082 951 E HA -0.221 4.130 4.350 0.001 0.000 0.215 951 E C 2.035 178.643 176.600 0.013 0.000 1.048 951 E CA 2.632 59.031 56.400 -0.001 0.000 0.869 951 E CB -0.999 28.693 29.700 -0.014 0.000 0.773 951 E HN 0.868 nan 8.360 nan 0.000 0.466 952 G N 0.190 108.999 108.800 0.015 0.000 2.475 952 G HA2 -0.272 3.688 3.960 0.001 0.000 0.220 952 G HA3 -0.272 3.688 3.960 0.001 0.000 0.220 952 G C 1.173 176.101 174.900 0.047 0.000 1.125 952 G CA 1.170 46.291 45.100 0.035 0.000 0.755 952 G HN 0.261 nan 8.290 nan 0.000 0.565 953 D N -0.085 120.341 120.400 0.044 0.000 2.347 953 D HA 0.051 4.692 4.640 0.001 0.000 0.213 953 D C 2.260 178.591 176.300 0.053 0.000 0.985 953 D CA 0.296 54.331 54.000 0.059 0.000 0.879 953 D CB 0.056 40.886 40.800 0.050 0.000 0.919 953 D HN 0.255 nan 8.370 nan 0.000 0.526 954 K N 0.750 121.172 120.400 0.037 0.000 2.074 954 K HA -0.171 4.149 4.320 0.001 0.000 0.209 954 K C 1.943 178.568 176.600 0.041 0.000 1.048 954 K CA 1.079 57.385 56.287 0.032 0.000 0.926 954 K CB 0.127 32.641 32.500 0.023 0.000 0.713 954 K HN 0.141 nan 8.250 nan 0.000 0.444 955 E N 0.011 120.240 120.200 0.048 0.000 2.028 955 E HA -0.159 4.191 4.350 0.001 0.000 0.191 955 E C 2.149 178.794 176.600 0.076 0.000 0.988 955 E CA 1.045 57.475 56.400 0.051 0.000 0.799 955 E CB 0.123 29.849 29.700 0.043 0.000 0.755 955 E HN 0.182 nan 8.360 nan 0.000 0.447 956 R N 0.138 120.701 120.500 0.105 0.000 2.096 956 R HA -0.102 4.239 4.340 0.001 0.000 0.235 956 R C 2.414 178.851 176.300 0.228 0.000 1.127 956 R CA 0.840 57.052 56.100 0.187 0.000 0.968 956 R CB -0.426 30.020 30.300 0.242 0.000 0.861 956 R HN 0.121 nan 8.270 nan 0.000 0.440 957 V N 0.996 120.985 119.914 0.125 0.000 2.794 957 V HA -0.223 3.897 4.120 0.001 0.000 0.260 957 V C 1.950 178.073 176.094 0.047 0.000 1.103 957 V CA 1.558 63.888 62.300 0.049 0.000 1.125 957 V CB -0.108 31.721 31.823 0.011 0.000 0.702 957 V HN 0.142 nan 8.190 nan 0.000 0.494 958 V N 0.046 120.005 119.914 0.075 0.000 2.295 958 V HA -0.226 3.894 4.120 0.001 0.000 0.246 958 V C 2.370 178.512 176.094 0.080 0.000 1.049 958 V CA 2.394 64.731 62.300 0.061 0.000 1.024 958 V CB -0.770 31.086 31.823 0.054 0.000 0.648 958 V HN 0.653 nan 8.190 nan 0.000 0.447 959 D N -0.126 120.361 120.400 0.144 0.000 2.117 959 D HA -0.168 4.473 4.640 0.001 0.000 0.197 959 D C 1.952 178.357 176.300 0.175 0.000 0.987 959 D CA 1.190 55.304 54.000 0.190 0.000 0.829 959 D CB -0.160 40.807 40.800 0.279 0.000 0.961 959 D HN 0.288 nan 8.370 nan 0.000 0.460 960 L N 0.516 121.798 121.223 0.098 0.000 2.017 960 L HA -0.011 4.329 4.340 0.001 0.000 0.208 960 L C 2.209 179.031 176.870 -0.081 0.000 1.073 960 L CA 2.160 56.898 54.840 -0.169 0.000 0.745 960 L CB -1.024 40.700 42.059 -0.557 0.000 0.894 960 L HN 0.050 nan 8.230 nan 0.000 0.432 961 A N -0.551 122.248 122.820 -0.035 0.000 1.940 961 A HA -0.141 4.180 4.320 0.001 0.000 0.219 961 A C 2.447 180.042 177.584 0.019 0.000 1.176 961 A CA 1.898 53.929 52.037 -0.009 0.000 0.631 961 A CB -1.157 17.846 19.000 0.005 0.000 0.814 961 A HN 0.590 nan 8.150 nan 0.000 0.446 962 A N 0.077 122.918 122.820 0.036 0.000 1.877 962 A HA -0.175 4.146 4.320 0.001 0.000 0.216 962 A C 2.086 179.701 177.584 0.052 0.000 1.186 962 A CA 1.837 53.904 52.037 0.050 0.000 0.620 962 A CB -0.490 18.546 19.000 0.060 0.000 0.822 962 A HN 0.563 nan 8.150 nan 0.000 0.443 963 K N -0.170 120.260 120.400 0.049 0.000 2.074 963 K HA -0.115 4.206 4.320 0.001 0.000 0.209 963 K C 1.824 178.444 176.600 0.034 0.000 1.048 963 K CA 1.587 57.901 56.287 0.045 0.000 0.926 963 K CB -0.495 32.034 32.500 0.048 0.000 0.713 963 K HN 0.480 nan 8.250 nan 0.000 0.444 964 L N 0.840 122.060 121.223 -0.004 0.000 2.083 964 L HA -0.175 4.165 4.340 0.001 0.000 0.209 964 L C 2.393 179.367 176.870 0.173 0.000 1.083 964 L CA 0.964 55.813 54.840 0.015 0.000 0.752 964 L CB -0.481 41.507 42.059 -0.118 0.000 0.899 964 L HN 0.175 nan 8.230 nan 0.000 0.433 965 L N -0.321 120.974 121.223 0.119 0.000 2.017 965 L HA -0.238 4.103 4.340 0.001 0.000 0.208 965 L C 2.787 179.727 176.870 0.115 0.000 1.073 965 L CA 1.372 56.287 54.840 0.125 0.000 0.745 965 L CB -0.458 41.650 42.059 0.083 0.000 0.894 965 L HN 0.229 nan 8.230 nan 0.000 0.432 966 K N -0.470 119.986 120.400 0.093 0.000 2.074 966 K HA -0.239 4.081 4.320 0.001 0.000 0.209 966 K C 2.069 178.727 176.600 0.097 0.000 1.048 966 K CA 1.308 57.642 56.287 0.079 0.000 0.926 966 K CB -0.070 32.469 32.500 0.066 0.000 0.713 966 K HN 0.215 nan 8.250 nan 0.000 0.444 967 Q N -0.537 119.350 119.800 0.144 0.000 2.541 967 Q HA -0.055 4.285 4.340 0.001 0.000 0.215 967 Q C 0.862 176.971 176.000 0.182 0.000 0.977 967 Q CA 1.027 56.945 55.803 0.193 0.000 0.934 967 Q CB 0.324 29.243 28.738 0.303 0.000 0.988 967 Q HN 0.627 nan 8.270 nan 0.000 0.521 968 G N -0.313 108.581 108.800 0.156 0.000 2.141 968 G HA2 -0.263 3.698 3.960 0.001 0.000 0.242 968 G HA3 -0.263 3.698 3.960 0.001 0.000 0.242 968 G C -0.138 174.807 174.900 0.074 0.000 0.982 968 G CA -0.069 45.077 45.100 0.078 0.000 0.662 968 G HN 0.261 nan 8.290 nan 0.000 0.527 969 F N 1.057 121.038 119.950 0.051 0.000 2.371 969 F HA 0.573 5.101 4.527 0.001 0.000 0.329 969 F C 1.057 176.898 175.800 0.068 0.000 1.107 969 F CA -0.347 57.693 58.000 0.067 0.000 1.137 969 F CB 0.838 39.879 39.000 0.068 0.000 1.214 969 F HN 0.072 nan 8.300 nan 0.000 0.536 970 E N 2.077 122.437 120.200 0.266 0.000 2.231 970 E HA 0.525 4.876 4.350 0.001 0.000 0.277 970 E C -1.113 175.618 176.600 0.219 0.000 0.999 970 E CA -0.586 55.925 56.400 0.185 0.000 0.827 970 E CB 1.406 31.182 29.700 0.126 0.000 1.101 970 E HN 0.379 nan 8.360 nan 0.000 0.393 971 L N 1.807 123.124 121.223 0.157 0.000 2.333 971 L HA 0.560 4.901 4.340 0.001 0.000 0.269 971 L C -0.550 176.397 176.870 0.128 0.000 1.010 971 L CA -0.977 53.949 54.840 0.142 0.000 0.818 971 L CB 1.571 43.683 42.059 0.089 0.000 1.306 971 L HN 0.410 nan 8.230 nan 0.000 0.430 972 D N 0.508 120.985 120.400 0.128 0.000 2.490 972 D HA 0.857 5.498 4.640 0.001 0.000 0.232 972 D C -1.086 175.229 176.300 0.024 0.000 1.053 972 D CA -0.130 53.941 54.000 0.118 0.000 0.914 972 D CB 2.418 43.377 40.800 0.265 0.000 1.431 972 D HN 0.747 nan 8.370 nan 0.000 0.483 973 A N 0.197 123.026 122.820 0.015 0.000 2.594 973 A HA 0.617 4.937 4.320 0.001 0.000 0.296 973 A C -0.421 177.158 177.584 -0.009 0.000 1.061 973 A CA -0.863 51.163 52.037 -0.019 0.000 0.689 973 A CB 0.820 19.807 19.000 -0.022 0.000 1.280 973 A HN 0.461 nan 8.150 nan 0.000 0.406 974 T N -0.754 113.791 114.554 -0.015 0.000 2.868 974 T HA 0.361 4.711 4.350 0.001 0.000 0.292 974 T C 1.167 175.896 174.700 0.048 0.000 1.028 974 T CA 0.771 62.882 62.100 0.017 0.000 1.059 974 T CB 0.502 69.373 68.868 0.006 0.000 0.991 974 T HN 0.868 nan 8.240 nan 0.000 0.531 975 H N 2.201 121.260 119.070 -0.018 0.000 2.280 975 H HA -0.241 4.316 4.556 0.001 0.000 0.284 975 H C 2.366 177.690 175.328 -0.005 0.000 1.108 975 H CA 2.955 58.997 56.048 -0.010 0.000 1.163 975 H CB -0.867 28.890 29.762 -0.009 0.000 1.358 975 H HN 0.836 nan 8.280 nan 0.000 0.505 976 G N -1.979 106.958 108.800 0.227 0.000 2.418 976 G HA2 -0.267 3.694 3.960 0.001 0.000 0.217 976 G HA3 -0.267 3.694 3.960 0.001 0.000 0.217 976 G C 1.745 176.667 174.900 0.037 0.000 1.158 976 G CA 1.285 46.468 45.100 0.139 0.000 0.771 976 G HN 0.501 nan 8.290 nan 0.000 0.545 977 T N 1.655 116.222 114.554 0.021 0.000 2.708 977 T HA 0.023 4.374 4.350 0.001 0.000 0.266 977 T C 2.815 177.502 174.700 -0.022 0.000 1.037 977 T CA 1.465 63.563 62.100 -0.004 0.000 1.146 977 T CB -0.371 68.489 68.868 -0.014 0.000 0.865 977 T HN 0.364 nan 8.240 nan 0.000 0.435 978 A N 1.456 124.249 122.820 -0.045 0.000 1.972 978 A HA -0.035 4.285 4.320 0.001 0.000 0.219 978 A C 2.228 179.764 177.584 -0.079 0.000 1.169 978 A CA 0.931 52.929 52.037 -0.066 0.000 0.635 978 A CB -0.666 18.275 19.000 -0.098 0.000 0.810 978 A HN 0.402 nan 8.150 nan 0.000 0.446 979 I N -0.105 120.407 120.570 -0.097 0.000 2.076 979 I HA -0.222 3.949 4.170 0.001 0.000 0.237 979 I C 2.492 178.590 176.117 -0.031 0.000 1.059 979 I CA 1.523 62.777 61.300 -0.076 0.000 1.317 979 I CB -1.397 36.574 38.000 -0.048 0.000 1.037 979 I HN 0.164 nan 8.210 nan 0.000 0.398 980 V N 1.190 121.097 119.914 -0.013 0.000 2.392 980 V HA -0.269 3.852 4.120 0.001 0.000 0.249 980 V C 2.613 178.707 176.094 -0.000 0.000 1.059 980 V CA 1.541 63.841 62.300 0.000 0.000 1.051 980 V CB -0.603 31.226 31.823 0.009 0.000 0.658 980 V HN 0.343 nan 8.190 nan 0.000 0.455 981 L N 0.246 121.466 121.223 -0.006 0.000 2.027 981 L HA -0.063 4.277 4.340 0.001 0.000 0.206 981 L C 2.706 179.575 176.870 -0.002 0.000 1.074 981 L CA 1.799 56.639 54.840 -0.001 0.000 0.745 981 L CB -1.213 40.845 42.059 -0.002 0.000 0.898 981 L HN 0.452 nan 8.230 nan 0.000 0.433 982 G N -0.762 108.030 108.800 -0.013 0.000 2.440 982 G HA2 -0.237 3.724 3.960 0.001 0.000 0.218 982 G HA3 -0.237 3.724 3.960 0.001 0.000 0.218 982 G C 1.431 176.328 174.900 -0.005 0.000 1.154 982 G CA 0.342 45.434 45.100 -0.013 0.000 0.767 982 G HN 0.245 nan 8.290 nan 0.000 0.552 983 E N 0.488 120.685 120.200 -0.005 0.000 2.401 983 E HA 0.023 4.373 4.350 0.001 0.000 0.199 983 E C 2.325 178.929 176.600 0.006 0.000 1.023 983 E CA 0.739 57.140 56.400 0.001 0.000 0.859 983 E CB 0.046 29.747 29.700 0.003 0.000 0.780 983 E HN 0.444 nan 8.360 nan 0.000 0.523 984 A N -1.026 121.799 122.820 0.008 0.000 2.390 984 A HA 0.426 4.746 4.320 0.001 0.000 0.232 984 A C 1.534 179.127 177.584 0.014 0.000 1.233 984 A CA 0.787 52.832 52.037 0.014 0.000 0.907 984 A CB 0.484 19.495 19.000 0.018 0.000 0.967 984 A HN 0.203 nan 8.150 nan 0.000 0.512 985 G N -0.731 108.075 108.800 0.011 0.000 2.176 985 G HA2 -0.186 3.775 3.960 0.001 0.000 0.232 985 G HA3 -0.186 3.775 3.960 0.001 0.000 0.232 985 G C 0.010 174.918 174.900 0.014 0.000 0.986 985 G CA 0.168 45.276 45.100 0.012 0.000 0.643 985 G HN 0.429 nan 8.290 nan 0.000 0.522 986 I N 1.647 122.225 120.570 0.014 0.000 2.328 986 I HA 0.282 4.453 4.170 0.001 0.000 0.287 986 I C -0.030 176.093 176.117 0.010 0.000 1.012 986 I CA -0.439 60.871 61.300 0.017 0.000 1.195 986 I CB 1.185 39.197 38.000 0.021 0.000 1.350 986 I HN 0.092 nan 8.210 nan 0.000 0.464 987 N N 8.487 127.194 118.700 0.012 0.000 2.817 987 N HA 0.311 5.052 4.740 0.001 0.000 0.234 987 N C -2.327 173.191 175.510 0.013 0.000 1.066 987 N CA -1.365 51.689 53.050 0.006 0.000 0.926 987 N CB 0.901 39.391 38.487 0.006 0.000 1.176 987 N HN 0.360 nan 8.380 nan 0.000 0.506 988 P HA 0.098 nan 4.420 nan 0.000 0.274 988 P C -0.402 176.912 177.300 0.023 0.000 1.256 988 P CA -0.416 62.699 63.100 0.024 0.000 0.795 988 P CB 1.116 32.826 31.700 0.016 0.000 1.038 989 R N 0.625 121.150 120.500 0.042 0.000 2.390 989 R HA 0.341 4.682 4.340 0.001 0.000 0.291 989 R C -0.522 175.801 176.300 0.038 0.000 1.070 989 R CA -0.679 55.445 56.100 0.040 0.000 1.014 989 R CB 0.095 30.427 30.300 0.053 0.000 1.007 989 R HN 0.353 nan 8.270 nan 0.000 0.466 990 L N 4.955 126.192 121.223 0.023 0.000 2.350 990 L HA 0.404 4.744 4.340 0.001 0.000 0.275 990 L C -0.891 176.003 176.870 0.040 0.000 1.099 990 L CA -0.037 54.815 54.840 0.020 0.000 0.808 990 L CB 1.650 43.709 42.059 -0.000 0.000 1.149 990 L HN 0.456 nan 8.230 nan 0.000 0.442 991 V N 5.371 125.315 119.914 0.049 0.000 2.876 991 V HA 0.543 4.663 4.120 0.001 0.000 0.312 991 V C -0.561 175.562 176.094 0.048 0.000 1.085 991 V CA -0.689 61.650 62.300 0.065 0.000 0.945 991 V CB 2.410 34.301 31.823 0.113 0.000 1.017 991 V HN 0.965 nan 8.190 nan 0.000 0.428 992 N N 3.305 122.035 118.700 0.050 0.000 2.487 992 N HA 0.444 5.184 4.740 0.001 0.000 0.292 992 N C -0.891 174.620 175.510 0.002 0.000 1.108 992 N CA -0.732 52.330 53.050 0.019 0.000 0.956 992 N CB 1.368 39.870 38.487 0.025 0.000 1.176 992 N HN 0.611 nan 8.380 nan 0.000 0.484 993 K N 0.484 120.807 120.400 -0.128 0.000 2.219 993 K HA 0.086 4.406 4.320 0.001 0.000 0.258 993 K C 0.906 177.366 176.600 -0.232 0.000 1.008 993 K CA -0.456 55.701 56.287 -0.217 0.000 0.928 993 K CB 0.778 33.023 32.500 -0.425 0.000 0.983 993 K HN 0.239 nan 8.250 nan 0.000 0.484 994 V N 2.159 121.930 119.914 -0.239 0.000 2.278 994 V HA -0.314 3.806 4.120 0.001 0.000 0.251 994 V C 2.184 178.209 176.094 -0.115 0.000 1.062 994 V CA 2.139 64.222 62.300 -0.361 0.000 1.038 994 V CB -0.988 30.596 31.823 -0.398 0.000 0.646 994 V HN 0.882 nan 8.190 nan 0.000 0.447 995 H N -0.310 118.724 119.070 -0.060 0.000 2.559 995 H HA -0.013 4.544 4.556 0.001 0.000 0.273 995 H C 1.709 177.042 175.328 0.008 0.000 1.000 995 H CA 1.301 57.337 56.048 -0.021 0.000 1.195 995 H CB -0.073 29.669 29.762 -0.033 0.000 1.368 995 H HN 0.546 nan 8.280 nan 0.000 0.592 996 E N 0.751 120.762 120.200 -0.314 0.000 2.442 996 E HA 0.227 4.578 4.350 0.001 0.000 0.195 996 E C 0.675 177.260 176.600 -0.025 0.000 1.030 996 E CA 0.286 56.584 56.400 -0.171 0.000 0.869 996 E CB 0.482 30.048 29.700 -0.224 0.000 0.857 996 E HN 0.685 nan 8.360 nan 0.000 0.505 997 G N 1.236 110.061 108.800 0.040 0.000 2.655 997 G HA2 -0.200 3.760 3.960 0.001 0.000 0.680 997 G HA3 -0.200 3.760 3.960 0.001 0.000 0.680 997 G C -0.839 174.103 174.900 0.070 0.000 1.302 997 G CA -0.931 44.219 45.100 0.083 0.000 0.872 997 G HN 0.029 nan 8.290 nan 0.000 0.540 998 R N 0.449 120.936 120.500 -0.022 0.000 2.643 998 R HA 0.362 4.703 4.340 0.001 0.000 0.270 998 R C -2.079 174.177 176.300 -0.073 0.000 1.061 998 R CA -0.710 55.304 56.100 -0.143 0.000 1.107 998 R CB 0.265 30.468 30.300 -0.162 0.000 0.999 998 R HN 0.470 nan 8.270 nan 0.000 0.460 999 P HA 0.162 nan 4.420 nan 0.000 0.286 999 P C -0.908 176.351 177.300 -0.068 0.000 1.269 999 P CA -0.143 62.871 63.100 -0.145 0.000 0.787 999 P CB 0.793 32.442 31.700 -0.086 0.000 0.920 1000 H N 1.117 120.179 119.070 -0.013 0.000 2.710 1000 H HA 0.321 4.878 4.556 0.001 0.000 0.361 1000 H C 1.285 176.622 175.328 0.015 0.000 1.175 1000 H CA -1.014 55.026 56.048 -0.013 0.000 1.206 1000 H CB 1.399 31.141 29.762 -0.034 0.000 1.750 1000 H HN 0.241 nan 8.280 nan 0.000 0.553 1001 I N -1.253 119.467 120.570 0.249 0.000 2.143 1001 I HA -0.361 3.810 4.170 0.001 0.000 0.245 1001 I C 2.485 178.737 176.117 0.225 0.000 1.068 1001 I CA 1.716 63.132 61.300 0.194 0.000 1.326 1001 I CB -0.686 37.341 38.000 0.045 0.000 1.028 1001 I HN 0.681 nan 8.210 nan 0.000 0.412 1002 Q N 0.867 120.801 119.800 0.224 0.000 2.045 1002 Q HA -0.285 4.055 4.340 0.001 0.000 0.206 1002 Q C 1.970 178.082 176.000 0.188 0.000 0.991 1002 Q CA 2.590 58.491 55.803 0.164 0.000 0.851 1002 Q CB -0.253 28.469 28.738 -0.027 0.000 0.911 1002 Q HN 0.667 nan 8.270 nan 0.000 0.418 1003 D N -0.166 120.416 120.400 0.303 0.000 2.097 1003 D HA -0.160 4.481 4.640 0.001 0.000 0.195 1003 D C 2.068 178.327 176.300 -0.068 0.000 0.989 1003 D CA 1.054 55.055 54.000 0.001 0.000 0.827 1003 D CB -0.240 40.425 40.800 -0.225 0.000 0.966 1003 D HN 0.274 nan 8.370 nan 0.000 0.456 1004 R N 0.267 120.759 120.500 -0.013 0.000 2.081 1004 R HA -0.053 4.287 4.340 0.001 0.000 0.235 1004 R C 2.616 178.833 176.300 -0.139 0.000 1.131 1004 R CA 0.566 56.600 56.100 -0.110 0.000 0.960 1004 R CB -0.395 29.864 30.300 -0.068 0.000 0.856 1004 R HN 0.266 nan 8.270 nan 0.000 0.436 1005 I N 1.221 121.829 120.570 0.062 0.000 2.113 1005 I HA -0.327 3.844 4.170 0.001 0.000 0.238 1005 I C 2.739 178.697 176.117 -0.265 0.000 1.070 1005 I CA 1.422 62.765 61.300 0.071 0.000 1.332 1005 I CB -0.311 37.762 38.000 0.123 0.000 1.044 1005 I HN 0.151 nan 8.210 nan 0.000 0.402 1006 K N 0.948 121.035 120.400 -0.522 0.000 2.103 1006 K HA -0.210 4.110 4.320 0.001 0.000 0.207 1006 K C 1.378 177.632 176.600 -0.576 0.000 1.048 1006 K CA 1.708 57.327 56.287 -1.113 0.000 0.930 1006 K CB -0.142 31.898 32.500 -0.767 0.000 0.716 1006 K HN 0.345 nan 8.250 nan 0.000 0.444 1007 N N 0.434 118.948 118.700 -0.311 0.000 2.449 1007 N HA 0.007 4.748 4.740 0.001 0.000 0.191 1007 N C 0.133 175.546 175.510 -0.162 0.000 1.161 1007 N CA 0.978 53.910 53.050 -0.198 0.000 0.863 1007 N CB 0.596 38.987 38.487 -0.161 0.000 0.980 1007 N HN 0.461 nan 8.380 nan 0.000 0.458 1008 G N 1.689 110.388 108.800 -0.167 0.000 2.333 1008 G HA2 -0.257 3.703 3.960 0.001 0.000 0.296 1008 G HA3 -0.257 3.703 3.960 0.001 0.000 0.296 1008 G C 0.595 175.415 174.900 -0.133 0.000 1.059 1008 G CA 0.028 45.075 45.100 -0.088 0.000 1.050 1008 G HN 0.366 nan 8.290 nan 0.000 0.508 1009 E N -1.461 118.558 120.200 -0.302 0.000 2.400 1009 E HA 0.103 4.453 4.350 0.001 0.000 0.195 1009 E C 0.077 176.401 176.600 -0.461 0.000 1.012 1009 E CA 0.586 56.712 56.400 -0.457 0.000 0.875 1009 E CB 0.415 29.675 29.700 -0.732 0.000 0.859 1009 E HN 0.690 nan 8.360 nan 0.000 0.498 1010 Y N -0.377 119.951 120.300 0.047 0.000 2.509 1010 Y HA 0.161 4.712 4.550 0.001 0.000 0.341 1010 Y C 1.382 177.354 175.900 0.120 0.000 1.038 1010 Y CA -0.747 57.407 58.100 0.089 0.000 1.089 1010 Y CB 1.615 40.112 38.460 0.062 0.000 1.241 1010 Y HN -0.187 nan 8.280 nan 0.000 0.468 1011 T N -2.836 111.942 114.554 0.373 0.000 2.985 1011 T HA 0.245 4.595 4.350 0.001 0.000 0.254 1011 T C -0.699 174.254 174.700 0.422 0.000 1.021 1011 T CA 0.076 62.361 62.100 0.309 0.000 0.957 1011 T CB -0.095 68.892 68.868 0.197 0.000 1.047 1011 T HN 0.485 nan 8.240 nan 0.000 0.511 1012 Y N 0.247 120.695 120.300 0.246 0.000 2.519 1012 Y HA 0.673 5.223 4.550 0.001 0.000 0.336 1012 Y C -2.262 173.653 175.900 0.025 0.000 1.089 1012 Y CA -2.452 55.730 58.100 0.136 0.000 1.025 1012 Y CB 1.558 40.016 38.460 -0.004 0.000 1.318 1012 Y HN 0.148 nan 8.280 nan 0.000 0.452 1013 I N 6.771 126.791 120.570 -0.918 0.000 2.569 1013 I HA 0.413 4.583 4.170 0.001 0.000 0.290 1013 I C -1.512 174.017 176.117 -0.980 0.000 1.088 1013 I CA -0.891 59.937 61.300 -0.787 0.000 1.047 1013 I CB 2.222 39.980 38.000 -0.403 0.000 1.237 1013 I HN 0.544 nan 8.210 nan 0.000 0.421 1014 I N 7.071 127.230 120.570 -0.684 0.000 2.390 1014 I HA 0.393 4.563 4.170 0.001 0.000 0.283 1014 I C -0.953 175.032 176.117 -0.220 0.000 1.016 1014 I CA 0.131 61.206 61.300 -0.375 0.000 1.151 1014 I CB 0.803 38.676 38.000 -0.212 0.000 1.293 1014 I HN 0.575 nan 8.210 nan 0.000 0.458 1015 N N 5.644 124.261 118.700 -0.139 0.000 2.504 1015 N HA 0.379 5.119 4.740 0.001 0.000 0.280 1015 N C -1.256 174.228 175.510 -0.043 0.000 1.052 1015 N CA -0.241 52.748 53.050 -0.102 0.000 0.887 1015 N CB 1.320 39.728 38.487 -0.132 0.000 1.323 1015 N HN 0.657 nan 8.380 nan 0.000 0.509 1016 T N 0.432 114.965 114.554 -0.035 0.000 2.856 1016 T HA 0.680 5.030 4.350 0.001 0.000 0.283 1016 T C -0.484 174.205 174.700 -0.018 0.000 1.008 1016 T CA -0.314 61.782 62.100 -0.006 0.000 0.997 1016 T CB 1.876 70.753 68.868 0.016 0.000 0.992 1016 T HN 0.283 nan 8.240 nan 0.000 0.454 1017 T N 1.618 116.164 114.554 -0.012 0.000 2.932 1017 T HA 0.665 5.016 4.350 0.001 0.000 0.318 1017 T C -1.016 173.663 174.700 -0.035 0.000 1.265 1017 T CA -0.830 61.250 62.100 -0.033 0.000 1.036 1017 T CB 1.951 70.797 68.868 -0.037 0.000 1.209 1017 T HN 0.697 nan 8.240 nan 0.000 0.484 1018 S N 0.355 116.003 115.700 -0.087 0.000 2.548 1018 S HA 0.868 5.339 4.470 0.001 0.000 0.276 1018 S C -0.226 174.227 174.600 -0.246 0.000 1.129 1018 S CA 0.085 58.189 58.200 -0.160 0.000 0.931 1018 S CB 1.560 64.610 63.200 -0.251 0.000 1.068 1018 S HN 1.547 nan 8.310 nan 0.000 0.480 1019 G N 2.235 110.924 108.800 -0.185 0.000 2.906 1019 G HA2 -0.057 3.904 3.960 0.001 0.000 0.686 1019 G HA3 -0.057 3.904 3.960 0.001 0.000 0.686 1019 G C -0.068 174.827 174.900 -0.009 0.000 1.170 1019 G CA -0.335 44.698 45.100 -0.111 0.000 0.775 1019 G HN 0.647 nan 8.290 nan 0.000 0.630 1020 R N 0.921 121.447 120.500 0.043 0.000 2.080 1020 R HA -0.044 4.296 4.340 0.001 0.000 0.236 1020 R C 2.672 178.980 176.300 0.013 0.000 1.137 1020 R CA 2.550 58.674 56.100 0.040 0.000 0.943 1020 R CB -0.311 30.030 30.300 0.069 0.000 0.846 1020 R HN 0.636 nan 8.270 nan 0.000 0.431 1021 R N -0.631 119.871 120.500 0.003 0.000 2.090 1021 R HA -0.005 4.336 4.340 0.001 0.000 0.228 1021 R C 2.054 178.336 176.300 -0.029 0.000 1.110 1021 R CA 1.256 57.349 56.100 -0.013 0.000 0.973 1021 R CB -0.323 29.967 30.300 -0.017 0.000 0.869 1021 R HN 0.318 nan 8.270 nan 0.000 0.440 1022 A N 1.078 123.875 122.820 -0.038 0.000 1.917 1022 A HA -0.191 4.129 4.320 0.001 0.000 0.219 1022 A C 2.095 179.654 177.584 -0.042 0.000 1.182 1022 A CA 1.562 53.570 52.037 -0.049 0.000 0.633 1022 A CB -0.524 18.434 19.000 -0.069 0.000 0.819 1022 A HN 0.367 nan 8.150 nan 0.000 0.448 1023 I N -1.071 119.479 120.570 -0.034 0.000 2.163 1023 I HA -0.232 3.938 4.170 0.001 0.000 0.240 1023 I C 2.520 178.618 176.117 -0.032 0.000 1.081 1023 I CA 1.616 62.898 61.300 -0.030 0.000 1.353 1023 I CB -0.399 37.592 38.000 -0.016 0.000 1.054 1023 I HN 0.389 nan 8.210 nan 0.000 0.407 1024 E N 0.644 120.830 120.200 -0.023 0.000 2.130 1024 E HA -0.269 4.082 4.350 0.001 0.000 0.196 1024 E C 1.539 178.119 176.600 -0.032 0.000 0.998 1024 E CA 1.545 57.931 56.400 -0.023 0.000 0.806 1024 E CB 0.040 29.731 29.700 -0.015 0.000 0.738 1024 E HN 0.437 nan 8.360 nan 0.000 0.459 1025 D N -0.907 119.470 120.400 -0.038 0.000 2.234 1025 D HA -0.053 4.587 4.640 0.001 0.000 0.205 1025 D C 1.639 177.918 176.300 -0.035 0.000 0.962 1025 D CA 0.999 54.972 54.000 -0.045 0.000 0.855 1025 D CB 0.043 40.806 40.800 -0.063 0.000 0.951 1025 D HN 0.119 nan 8.370 nan 0.000 0.500 1026 S N -0.138 115.539 115.700 -0.039 0.000 2.577 1026 S HA 0.091 4.562 4.470 0.001 0.000 0.219 1026 S C 1.646 176.205 174.600 -0.069 0.000 0.962 1026 S CA -0.475 57.697 58.200 -0.046 0.000 0.921 1026 S CB 0.570 63.740 63.200 -0.049 0.000 0.789 1026 S HN 0.082 nan 8.310 nan 0.000 0.497 1027 R N 1.565 122.028 120.500 -0.062 0.000 2.119 1027 R HA -0.136 4.205 4.340 0.001 0.000 0.246 1027 R C 2.026 178.272 176.300 -0.090 0.000 1.146 1027 R CA 1.805 57.861 56.100 -0.074 0.000 0.962 1027 R CB -0.915 29.354 30.300 -0.051 0.000 0.863 1027 R HN 0.407 nan 8.270 nan 0.000 0.442 1028 V N 1.346 121.215 119.914 -0.075 0.000 2.380 1028 V HA -0.242 3.879 4.120 0.001 0.000 0.251 1028 V C 2.239 178.276 176.094 -0.095 0.000 1.063 1028 V CA 2.182 64.437 62.300 -0.075 0.000 1.055 1028 V CB -0.346 31.433 31.823 -0.072 0.000 0.657 1028 V HN 0.497 nan 8.190 nan 0.000 0.455 1029 I N -0.678 119.820 120.570 -0.121 0.000 2.286 1029 I HA -0.203 3.968 4.170 0.001 0.000 0.245 1029 I C 2.714 178.680 176.117 -0.252 0.000 1.104 1029 I CA 1.591 62.798 61.300 -0.154 0.000 1.397 1029 I CB -0.227 37.681 38.000 -0.154 0.000 1.072 1029 I HN 0.264 nan 8.210 nan 0.000 0.417 1030 R N 0.317 120.633 120.500 -0.306 0.000 2.075 1030 R HA -0.091 4.250 4.340 0.001 0.000 0.232 1030 R C 2.439 178.491 176.300 -0.413 0.000 1.126 1030 R CA 1.327 57.119 56.100 -0.514 0.000 0.963 1030 R CB -0.211 29.861 30.300 -0.380 0.000 0.858 1030 R HN 0.396 nan 8.270 nan 0.000 0.435 1031 R N -0.111 120.255 120.500 -0.224 0.000 2.075 1031 R HA -0.030 4.310 4.340 0.001 0.000 0.232 1031 R C 2.343 178.585 176.300 -0.097 0.000 1.126 1031 R CA 1.589 57.606 56.100 -0.138 0.000 0.963 1031 R CB -0.240 30.013 30.300 -0.078 0.000 0.858 1031 R HN 0.112 nan 8.270 nan 0.000 0.435 1032 S N 1.146 116.812 115.700 -0.057 0.000 2.368 1032 S HA -0.125 4.345 4.470 0.001 0.000 0.225 1032 S C 2.172 176.833 174.600 0.100 0.000 1.030 1032 S CA 1.156 59.412 58.200 0.094 0.000 0.999 1032 S CB -0.216 63.061 63.200 0.128 0.000 0.844 1032 S HN 0.469 nan 8.310 nan 0.000 0.459 1033 A N 1.588 124.344 122.820 -0.108 0.000 1.865 1033 A HA -0.107 4.214 4.320 0.001 0.000 0.217 1033 A C 2.160 179.744 177.584 -0.000 0.000 1.191 1033 A CA 1.596 53.553 52.037 -0.132 0.000 0.623 1033 A CB -0.871 17.813 19.000 -0.526 0.000 0.826 1033 A HN 0.405 nan 8.150 nan 0.000 0.444 1034 L N -0.265 120.916 121.223 -0.069 0.000 2.017 1034 L HA -0.223 4.117 4.340 0.001 0.000 0.208 1034 L C 2.689 179.570 176.870 0.019 0.000 1.073 1034 L CA 2.673 57.567 54.840 0.091 0.000 0.745 1034 L CB -0.621 41.498 42.059 0.100 0.000 0.894 1034 L HN 0.642 nan 8.230 nan 0.000 0.432 1035 Q N -1.827 117.921 119.800 -0.087 0.000 2.170 1035 Q HA -0.248 4.092 4.340 0.001 0.000 0.203 1035 Q C 1.703 177.449 176.000 -0.423 0.000 0.976 1035 Q CA 1.889 57.526 55.803 -0.276 0.000 0.858 1035 Q CB -0.205 28.280 28.738 -0.421 0.000 0.907 1035 Q HN 0.648 nan 8.270 nan 0.000 0.433 1036 Y N 0.248 120.572 120.300 0.041 0.000 2.511 1036 Y HA 0.112 4.662 4.550 0.001 0.000 0.279 1036 Y C 0.322 176.270 175.900 0.078 0.000 1.157 1036 Y CA 0.396 58.529 58.100 0.055 0.000 1.300 1036 Y CB 0.743 39.235 38.460 0.054 0.000 1.052 1036 Y HN 0.006 nan 8.280 nan 0.000 0.529 1037 K N -1.547 118.955 120.400 0.170 0.000 3.399 1037 K HA -0.122 4.198 4.320 0.001 0.000 0.298 1037 K C -0.683 176.045 176.600 0.213 0.000 1.326 1037 K CA 0.478 56.868 56.287 0.171 0.000 0.874 1037 K CB -2.583 29.999 32.500 0.137 0.000 1.403 1037 K HN 0.101 nan 8.250 nan 0.000 0.492 1038 V N 2.063 122.120 119.914 0.239 0.000 2.432 1038 V HA 0.119 4.240 4.120 0.001 0.000 0.271 1038 V C 0.854 177.126 176.094 0.296 0.000 1.046 1038 V CA -0.605 61.848 62.300 0.256 0.000 0.945 1038 V CB 0.902 32.859 31.823 0.225 0.000 0.992 1038 V HN 0.282 nan 8.190 nan 0.000 0.471 1039 H N 5.525 124.743 119.070 0.247 0.000 3.034 1039 H HA 0.295 4.851 4.556 0.001 0.000 0.324 1039 H C -0.643 174.851 175.328 0.276 0.000 1.015 1039 H CA 0.241 56.434 56.048 0.242 0.000 1.429 1039 H CB 0.121 30.032 29.762 0.249 0.000 1.429 1039 H HN 0.681 nan 8.280 nan 0.000 0.585 1040 Y N 1.708 121.547 120.300 -0.767 0.000 2.534 1040 Y HA 0.469 5.020 4.550 0.001 0.000 0.345 1040 Y C -1.463 174.170 175.900 -0.446 0.000 1.031 1040 Y CA -1.440 56.339 58.100 -0.535 0.000 1.022 1040 Y CB 1.315 39.577 38.460 -0.329 0.000 1.292 1040 Y HN 0.447 nan 8.280 nan 0.000 0.459 1041 D N 1.482 121.790 120.400 -0.152 0.000 2.252 1041 D HA 0.292 4.932 4.640 0.001 0.000 0.245 1041 D C 0.237 176.560 176.300 0.038 0.000 1.009 1041 D CA -0.332 53.649 54.000 -0.032 0.000 0.870 1041 D CB 2.197 43.084 40.800 0.146 0.000 1.251 1041 D HN 0.813 nan 8.370 nan 0.000 0.460 1042 T N -2.897 111.694 114.554 0.060 0.000 3.129 1042 T HA 0.187 4.537 4.350 0.001 0.000 0.267 1042 T C 0.541 175.289 174.700 0.080 0.000 1.018 1042 T CA -0.264 61.889 62.100 0.089 0.000 0.903 1042 T CB -0.122 68.818 68.868 0.120 0.000 1.067 1042 T HN 0.427 nan 8.240 nan 0.000 0.549 1043 T N -0.955 113.651 114.554 0.087 0.000 2.916 1043 T HA 0.593 4.944 4.350 0.001 0.000 0.305 1043 T C 0.475 175.238 174.700 0.105 0.000 1.119 1043 T CA -0.877 61.288 62.100 0.107 0.000 1.008 1043 T CB 1.730 70.680 68.868 0.137 0.000 1.129 1043 T HN -0.115 nan 8.240 nan 0.000 0.480 1044 L N 2.311 123.605 121.223 0.119 0.000 2.056 1044 L HA 0.096 4.437 4.340 0.001 0.000 0.207 1044 L C 2.148 179.166 176.870 0.246 0.000 1.078 1044 L CA 1.727 56.645 54.840 0.129 0.000 0.749 1044 L CB -1.337 40.839 42.059 0.195 0.000 0.901 1044 L HN 0.743 nan 8.230 nan 0.000 0.433 1045 N N -0.181 118.682 118.700 0.272 0.000 2.104 1045 N HA -0.140 4.601 4.740 0.001 0.000 0.190 1045 N C 1.812 177.458 175.510 0.227 0.000 1.024 1045 N CA 1.432 54.661 53.050 0.297 0.000 0.853 1045 N CB -0.858 37.766 38.487 0.228 0.000 1.008 1045 N HN 0.446 nan 8.380 nan 0.000 0.424 1046 G N -0.089 108.817 108.800 0.177 0.000 2.418 1046 G HA2 -0.152 3.809 3.960 0.001 0.000 0.217 1046 G HA3 -0.152 3.809 3.960 0.001 0.000 0.217 1046 G C 1.636 176.601 174.900 0.108 0.000 1.158 1046 G CA 1.030 46.224 45.100 0.156 0.000 0.771 1046 G HN 0.438 nan 8.290 nan 0.000 0.545 1047 G N 0.468 109.321 108.800 0.088 0.000 2.440 1047 G HA2 -0.179 3.781 3.960 0.001 0.000 0.218 1047 G HA3 -0.179 3.781 3.960 0.001 0.000 0.218 1047 G C 1.599 176.405 174.900 -0.156 0.000 1.154 1047 G CA 0.813 45.916 45.100 0.005 0.000 0.767 1047 G HN 0.323 nan 8.290 nan 0.000 0.552 1048 F N 1.749 121.702 119.950 0.005 0.000 2.134 1048 F HA 0.028 4.555 4.527 0.001 0.000 0.299 1048 F C 3.043 178.789 175.800 -0.090 0.000 1.097 1048 F CA 1.035 59.021 58.000 -0.025 0.000 1.264 1048 F CB -0.482 38.522 39.000 0.008 0.000 1.001 1048 F HN 0.247 nan 8.300 nan 0.000 0.479 1049 A N -0.836 121.973 122.820 -0.018 0.000 1.898 1049 A HA -0.164 4.156 4.320 0.001 0.000 0.216 1049 A C 2.250 179.486 177.584 -0.580 0.000 1.181 1049 A CA 2.193 53.967 52.037 -0.438 0.000 0.620 1049 A CB -1.302 17.130 19.000 -0.947 0.000 0.819 1049 A HN 0.336 nan 8.150 nan 0.000 0.442 1050 T N 0.234 114.598 114.554 -0.316 0.000 2.720 1050 T HA -0.058 4.293 4.350 0.001 0.000 0.268 1050 T C 2.187 176.769 174.700 -0.196 0.000 1.037 1050 T CA 1.631 63.644 62.100 -0.145 0.000 1.144 1050 T CB -0.414 68.397 68.868 -0.095 0.000 0.864 1050 T HN 0.597 nan 8.240 nan 0.000 0.444 1051 A N 0.976 123.676 122.820 -0.200 0.000 1.933 1051 A HA -0.039 4.281 4.320 0.001 0.000 0.218 1051 A C 2.314 179.859 177.584 -0.064 0.000 1.175 1051 A CA 1.406 53.347 52.037 -0.160 0.000 0.628 1051 A CB -0.611 18.314 19.000 -0.124 0.000 0.814 1051 A HN 0.460 nan 8.150 nan 0.000 0.444 1052 M N -0.651 118.927 119.600 -0.037 0.000 2.086 1052 M HA -0.143 4.338 4.480 0.001 0.000 0.261 1052 M C 2.487 178.766 176.300 -0.034 0.000 1.067 1052 M CA 1.491 56.794 55.300 0.005 0.000 1.116 1052 M CB -0.396 32.250 32.600 0.077 0.000 1.348 1052 M HN 0.454 nan 8.290 nan 0.000 0.407 1053 A N 0.156 122.932 122.820 -0.074 0.000 2.131 1053 A HA -0.118 4.202 4.320 0.001 0.000 0.220 1053 A C 2.034 179.596 177.584 -0.037 0.000 1.158 1053 A CA 1.138 53.151 52.037 -0.041 0.000 0.665 1053 A CB -0.976 18.068 19.000 0.073 0.000 0.795 1053 A HN 0.484 nan 8.150 nan 0.000 0.460 1054 L N -0.951 120.249 121.223 -0.038 0.000 2.191 1054 L HA -0.186 4.155 4.340 0.001 0.000 0.212 1054 L C 1.830 178.705 176.870 0.007 0.000 1.103 1054 L CA 1.390 56.225 54.840 -0.009 0.000 0.769 1054 L CB -0.452 41.613 42.059 0.009 0.000 0.908 1054 L HN 0.504 nan 8.230 nan 0.000 0.438 1055 N N -0.673 118.028 118.700 0.002 0.000 2.467 1055 N HA 0.095 4.835 4.740 0.001 0.000 0.184 1055 N C 0.353 175.861 175.510 -0.004 0.000 1.106 1055 N CA 0.014 53.069 53.050 0.008 0.000 0.892 1055 N CB 0.314 38.812 38.487 0.019 0.000 0.969 1055 N HN 0.235 nan 8.380 nan 0.000 0.454 1056 A N 0.044 122.852 122.820 -0.019 0.000 2.313 1056 A HA 0.460 4.780 4.320 0.001 0.000 0.323 1056 A C -1.145 176.412 177.584 -0.046 0.000 1.133 1056 A CA -0.509 51.510 52.037 -0.030 0.000 0.847 1056 A CB 1.130 20.104 19.000 -0.042 0.000 1.308 1056 A HN 0.016 nan 8.150 nan 0.000 0.475 1057 D N -0.010 120.358 120.400 -0.054 0.000 2.469 1057 D HA 0.526 5.166 4.640 0.001 0.000 0.251 1057 D C 0.658 176.902 176.300 -0.093 0.000 1.173 1057 D CA 0.201 54.155 54.000 -0.077 0.000 0.882 1057 D CB 1.562 42.320 40.800 -0.070 0.000 1.129 1057 D HN 0.463 nan 8.370 nan 0.000 0.549 1058 A N 2.515 125.263 122.820 -0.121 0.000 2.067 1058 A HA -0.071 4.250 4.320 0.001 0.000 0.219 1058 A C 1.645 179.140 177.584 -0.149 0.000 1.158 1058 A CA 1.635 53.593 52.037 -0.131 0.000 0.661 1058 A CB -0.358 18.553 19.000 -0.148 0.000 0.801 1058 A HN 0.571 nan 8.150 nan 0.000 0.452 1059 T N -3.443 111.005 114.554 -0.178 0.000 3.188 1059 T HA 0.204 4.555 4.350 0.001 0.000 0.250 1059 T C 1.155 175.770 174.700 -0.142 0.000 1.077 1059 T CA 0.560 62.544 62.100 -0.194 0.000 0.967 1059 T CB 0.293 69.006 68.868 -0.258 0.000 1.006 1059 T HN 0.547 nan 8.240 nan 0.000 0.552 1060 E N 1.410 121.546 120.200 -0.107 0.000 2.045 1060 E HA 0.108 4.458 4.350 0.001 0.000 0.190 1060 E C 0.628 177.189 176.600 -0.064 0.000 0.968 1060 E CA 0.464 56.819 56.400 -0.076 0.000 0.813 1060 E CB 0.336 30.003 29.700 -0.055 0.000 0.780 1060 E HN 0.507 nan 8.360 nan 0.000 0.455 1061 K N 0.737 121.102 120.400 -0.057 0.000 2.316 1061 K HA 0.338 4.658 4.320 0.001 0.000 0.251 1061 K C -1.025 175.546 176.600 -0.047 0.000 0.934 1061 K CA -0.681 55.581 56.287 -0.041 0.000 0.802 1061 K CB 2.114 34.605 32.500 -0.015 0.000 1.171 1061 K HN 0.010 nan 8.250 nan 0.000 0.426 1062 V N 2.252 122.143 119.914 -0.039 0.000 2.680 1062 V HA 0.740 4.861 4.120 0.001 0.000 0.309 1062 V C -0.795 175.386 176.094 0.145 0.000 1.052 1062 V CA -0.786 61.506 62.300 -0.014 0.000 0.908 1062 V CB 1.495 33.193 31.823 -0.209 0.000 1.001 1062 V HN 0.903 nan 8.190 nan 0.000 0.431 1063 I N 3.443 124.174 120.570 0.270 0.000 2.722 1063 I HA 0.641 4.811 4.170 0.001 0.000 0.295 1063 I C -0.002 176.123 176.117 0.013 0.000 1.161 1063 I CA -0.266 61.147 61.300 0.189 0.000 1.032 1063 I CB 2.544 40.540 38.000 -0.007 0.000 1.244 1063 I HN 1.097 nan 8.210 nan 0.000 0.421 1064 S N 4.998 120.480 115.700 -0.363 0.000 2.586 1064 S HA 0.285 4.756 4.470 0.001 0.000 0.274 1064 S C 0.923 175.283 174.600 -0.399 0.000 1.281 1064 S CA -0.615 57.137 58.200 -0.747 0.000 1.035 1064 S CB 1.852 64.581 63.200 -0.784 0.000 0.962 1064 S HN 0.487 nan 8.310 nan 0.000 0.512 1065 V N 3.099 122.773 119.914 -0.401 0.000 2.407 1065 V HA -0.176 3.944 4.120 0.001 0.000 0.248 1065 V C 2.664 178.524 176.094 -0.390 0.000 1.055 1065 V CA 2.073 64.133 62.300 -0.399 0.000 1.049 1065 V CB -1.315 30.257 31.823 -0.419 0.000 0.662 1065 V HN 0.856 nan 8.190 nan 0.000 0.455 1066 Q N 0.177 119.803 119.800 -0.289 0.000 2.050 1066 Q HA -0.212 4.129 4.340 0.001 0.000 0.202 1066 Q C 2.243 178.198 176.000 -0.075 0.000 0.980 1066 Q CA 1.983 57.689 55.803 -0.161 0.000 0.840 1066 Q CB -0.323 28.335 28.738 -0.134 0.000 0.898 1066 Q HN 0.690 nan 8.270 nan 0.000 0.424 1067 E N -0.161 119.973 120.200 -0.110 0.000 2.051 1067 E HA -0.194 4.156 4.350 0.001 0.000 0.192 1067 E C 1.966 178.567 176.600 0.001 0.000 0.991 1067 E CA 1.390 57.760 56.400 -0.051 0.000 0.799 1067 E CB -0.121 29.537 29.700 -0.071 0.000 0.748 1067 E HN 0.338 nan 8.360 nan 0.000 0.449 1068 M N -0.285 119.287 119.600 -0.046 0.000 2.082 1068 M HA -0.218 4.262 4.480 0.001 0.000 0.258 1068 M C 2.139 178.610 176.300 0.285 0.000 1.069 1068 M CA 1.604 56.909 55.300 0.007 0.000 1.102 1068 M CB -0.496 31.983 32.600 -0.202 0.000 1.336 1068 M HN 0.264 nan 8.290 nan 0.000 0.404 1069 H N -0.726 118.373 119.070 0.048 0.000 2.387 1069 H HA -0.069 4.487 4.556 0.001 0.000 0.299 1069 H C 2.080 177.441 175.328 0.055 0.000 1.090 1069 H CA 0.960 57.048 56.048 0.067 0.000 1.332 1069 H CB 0.079 29.857 29.762 0.027 0.000 1.386 1069 H HN 0.456 nan 8.280 nan 0.000 0.516 1070 A N 0.698 123.612 122.820 0.157 0.000 2.168 1070 A HA -0.113 4.208 4.320 0.001 0.000 0.215 1070 A C 2.002 179.632 177.584 0.077 0.000 1.152 1070 A CA 0.790 52.880 52.037 0.088 0.000 0.716 1070 A CB -0.111 18.923 19.000 0.058 0.000 0.794 1070 A HN 0.452 nan 8.150 nan 0.000 0.465 1071 Q N -0.441 119.427 119.800 0.114 0.000 2.444 1071 Q HA 0.181 4.521 4.340 0.001 0.000 0.206 1071 Q C -0.335 175.705 176.000 0.066 0.000 0.948 1071 Q CA 0.027 55.895 55.803 0.108 0.000 0.946 1071 Q CB 0.051 28.901 28.738 0.187 0.000 1.027 1071 Q HN 0.679 nan 8.270 nan 0.000 0.513 1072 I N 1.268 121.864 120.570 0.043 0.000 2.395 1072 I HA 0.173 4.343 4.170 0.001 0.000 0.289 1072 I C 0.034 176.134 176.117 -0.029 0.000 1.023 1072 I CA -0.327 60.958 61.300 -0.026 0.000 1.350 1072 I CB 0.866 38.822 38.000 -0.074 0.000 1.409 1072 I HN -0.209 nan 8.210 nan 0.000 0.507 1073 K N 0.000 120.375 120.400 -0.042 0.000 2.780 1073 K HA 0.000 4.320 4.320 0.001 0.000 0.191 1073 K CA 0.000 56.268 56.287 -0.032 0.000 0.838 1073 K CB 0.000 32.484 32.500 -0.026 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543