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 1j38_1_A DATA FIRST_RESID 23 DATA SEQUENCE IQAKEYLENL NKELAKRTNV ETEAAWAYRS AITDENEKKK NEISAELAKF DATA SEQUENCE MKEVASDTTK FQWRSYQSED LKRQFKALTK LGYAALPEDD YAELLDTLSA DATA SEQUENCE MESNFAKVKV cDYKDSTKcD LALDPEIEEV ISKSRDHEEL AYYWREFYDK DATA SEQUENCE AGTAVRSQFE RYVELNTKAA KLNNFTSGAE AWLDEYEDDT FEQQLEDIFA DATA SEQUENCE DIRPLYQQIH GYVRFRLRKH YGDAVVSETG PIPMHLLGNM WAQQWSEIAD DATA SEQUENCE IVSPFPEKPL VDVSAEMEKQ AYTPLKMFQM GDDFFTSMNL TKLPQDFWDK DATA SEQUENCE SIIEKPTDGR DLVcHASAWD FYLIDDVRIK QcTRVTQDQL FTVHHELGHI DATA SEQUENCE QYFLQYQHQP FVYRTGANPG FHEAVGDVLS LSVSTPKHLE KIGLLKDYVR DATA SEQUENCE DDEARINQLF LTALDKIVFL PFAFTMDKYR WSLFRGEVDK ANWNcAFWKL DATA SEQUENCE RDEYSGIEPP VVRSEKDFDA PAKYHISADV EYLRYLVSFI IQFQFYKSAc DATA SEQUENCE IKAGQYDPDN VELPLDNcDI YGSARAGAAF HNMLSMGASK PWPDALEAFN DATA SEQUENCE GERIMSGKAI AEYFEPLRVW LEAENIKNNV HIGWITSNKc VSSHHHHH 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 23 I HA 0.000 nan 4.170 nan 0.000 0.288 23 I C 0.000 176.103 176.117 -0.024 0.000 1.063 23 I CA 0.000 61.286 61.300 -0.022 0.000 1.566 23 I CB 0.000 37.979 38.000 -0.035 0.000 1.214 24 Q N 0.976 120.761 119.800 -0.026 0.000 2.448 24 Q HA 0.010 4.223 4.340 -0.212 0.000 0.336 24 Q C 0.935 176.970 176.000 0.058 0.000 1.277 24 Q CA 1.244 57.040 55.803 -0.012 0.000 1.033 24 Q CB 0.391 29.140 28.738 0.018 0.000 1.286 24 Q HN 0.566 nan 8.270 nan 0.000 0.448 25 A N 0.339 123.185 122.820 0.042 0.000 2.733 25 A HA 0.019 4.211 4.320 -0.212 0.000 0.232 25 A C 1.427 179.013 177.584 0.003 0.000 1.251 25 A CA -0.115 51.879 52.037 -0.072 0.000 1.015 25 A CB 0.218 19.360 19.000 0.236 0.000 1.291 25 A HN 0.660 nan 8.150 nan 0.000 0.595 26 K N 1.363 121.781 120.400 0.031 0.000 2.032 26 K HA -0.243 3.950 4.320 -0.212 0.000 0.209 26 K C 1.462 178.037 176.600 -0.041 0.000 1.048 26 K CA 2.285 58.565 56.287 -0.011 0.000 0.927 26 K CB -0.029 32.475 32.500 0.007 0.000 0.712 26 K HN 0.524 nan 8.250 nan 0.000 0.441 27 E N -0.210 119.990 120.200 0.000 0.000 2.118 27 E HA -0.224 3.999 4.350 -0.212 0.000 0.195 27 E C 1.941 178.552 176.600 0.019 0.000 0.992 27 E CA 1.442 57.851 56.400 0.016 0.000 0.804 27 E CB -0.852 28.881 29.700 0.056 0.000 0.741 27 E HN 0.461 nan 8.360 nan 0.000 0.458 28 Y N 1.453 121.677 120.300 -0.127 0.000 2.200 28 Y HA -0.050 4.373 4.550 -0.212 0.000 0.290 28 Y C 1.777 177.568 175.900 -0.182 0.000 1.137 28 Y CA 1.295 59.308 58.100 -0.145 0.000 1.163 28 Y CB -0.180 38.077 38.460 -0.338 0.000 0.988 28 Y HN -0.019 nan 8.280 nan 0.000 0.518 29 L N -0.043 120.906 121.223 -0.458 0.000 2.093 29 L HA -0.160 4.053 4.340 -0.212 0.000 0.208 29 L C 2.446 179.075 176.870 -0.401 0.000 1.085 29 L CA 1.748 56.232 54.840 -0.594 0.000 0.755 29 L CB -0.628 41.117 42.059 -0.524 0.000 0.904 29 L HN 0.225 nan 8.230 nan 0.000 0.435 30 E N 1.071 121.120 120.200 -0.252 0.000 2.023 30 E HA -0.237 3.986 4.350 -0.212 0.000 0.196 30 E C 1.868 178.370 176.600 -0.164 0.000 1.003 30 E CA 1.930 58.228 56.400 -0.170 0.000 0.809 30 E CB -0.036 29.607 29.700 -0.095 0.000 0.755 30 E HN 0.463 nan 8.360 nan 0.000 0.449 31 N N -0.105 118.506 118.700 -0.148 0.000 2.104 31 N HA -0.192 4.420 4.740 -0.212 0.000 0.190 31 N C 1.836 177.248 175.510 -0.164 0.000 1.024 31 N CA 0.923 53.907 53.050 -0.109 0.000 0.853 31 N CB -0.175 38.289 38.487 -0.038 0.000 1.008 31 N HN 0.105 nan 8.380 nan 0.000 0.424 32 L N 1.790 122.823 121.223 -0.316 0.000 1.976 32 L HA -0.163 4.049 4.340 -0.212 0.000 0.209 32 L C 1.475 178.199 176.870 -0.242 0.000 1.071 32 L CA 1.813 56.451 54.840 -0.336 0.000 0.746 32 L CB -0.878 40.776 42.059 -0.676 0.000 0.890 32 L HN 0.109 nan 8.230 nan 0.000 0.432 33 N N -0.715 117.833 118.700 -0.252 0.000 2.094 33 N HA -0.242 4.370 4.740 -0.212 0.000 0.191 33 N C 1.740 177.145 175.510 -0.174 0.000 1.023 33 N CA 1.743 54.697 53.050 -0.160 0.000 0.857 33 N CB -0.171 38.253 38.487 -0.104 0.000 1.013 33 N HN 0.331 nan 8.380 nan 0.000 0.426 34 K N 0.212 120.528 120.400 -0.140 0.000 2.152 34 K HA -0.181 4.011 4.320 -0.212 0.000 0.206 34 K C 1.706 178.208 176.600 -0.163 0.000 1.048 34 K CA 1.027 57.244 56.287 -0.116 0.000 0.933 34 K CB 0.013 32.467 32.500 -0.077 0.000 0.721 34 K HN 0.162 nan 8.250 nan 0.000 0.447 35 E N 1.072 121.167 120.200 -0.174 0.000 2.086 35 E HA -0.041 4.182 4.350 -0.212 0.000 0.190 35 E C 1.813 178.214 176.600 -0.333 0.000 0.975 35 E CA 0.726 57.007 56.400 -0.200 0.000 0.813 35 E CB -0.075 29.572 29.700 -0.089 0.000 0.768 35 E HN 0.151 nan 8.360 nan 0.000 0.457 36 L N 0.089 121.082 121.223 -0.384 0.000 2.012 36 L HA -0.185 4.027 4.340 -0.212 0.000 0.210 36 L C 2.537 178.831 176.870 -0.961 0.000 1.073 36 L CA 1.364 55.811 54.840 -0.654 0.000 0.748 36 L CB -0.763 40.822 42.059 -0.790 0.000 0.891 36 L HN 0.202 nan 8.230 nan 0.000 0.431 37 A N 0.069 122.340 122.820 -0.915 0.000 1.883 37 A HA -0.274 3.919 4.320 -0.212 0.000 0.217 37 A C 2.313 179.711 177.584 -0.309 0.000 1.186 37 A CA 2.125 53.800 52.037 -0.603 0.000 0.624 37 A CB -0.475 18.441 19.000 -0.140 0.000 0.822 37 A HN 0.215 nan 8.150 nan 0.000 0.444 38 K N -0.253 120.000 120.400 -0.246 0.000 2.063 38 K HA -0.102 4.091 4.320 -0.212 0.000 0.208 38 K C 2.209 178.694 176.600 -0.192 0.000 1.048 38 K CA 1.728 57.917 56.287 -0.163 0.000 0.928 38 K CB -0.184 32.221 32.500 -0.157 0.000 0.713 38 K HN 0.507 nan 8.250 nan 0.000 0.442 39 R N -1.276 119.044 120.500 -0.300 0.000 2.093 39 R HA 0.015 4.227 4.340 -0.212 0.000 0.224 39 R C 1.988 178.146 176.300 -0.236 0.000 1.101 39 R CA 1.519 57.447 56.100 -0.287 0.000 0.979 39 R CB -0.167 29.890 30.300 -0.405 0.000 0.877 39 R HN 0.161 nan 8.270 nan 0.000 0.441 40 T N 0.917 115.268 114.554 -0.338 0.000 2.962 40 T HA -0.104 4.119 4.350 -0.212 0.000 0.270 40 T C 1.398 176.050 174.700 -0.081 0.000 1.088 40 T CA 1.295 63.232 62.100 -0.272 0.000 1.127 40 T CB -0.258 68.295 68.868 -0.525 0.000 0.883 40 T HN 0.316 nan 8.240 nan 0.000 0.493 41 N N 1.046 119.729 118.700 -0.029 0.000 2.120 41 N HA -0.102 4.511 4.740 -0.212 0.000 0.188 41 N C 1.647 177.232 175.510 0.125 0.000 1.024 41 N CA 1.037 54.166 53.050 0.131 0.000 0.852 41 N CB -0.337 38.221 38.487 0.117 0.000 1.003 41 N HN 0.141 nan 8.380 nan 0.000 0.424 42 V N 0.611 120.550 119.914 0.042 0.000 2.407 42 V HA -0.161 3.831 4.120 -0.212 0.000 0.248 42 V C 2.278 178.422 176.094 0.084 0.000 1.055 42 V CA 1.878 64.208 62.300 0.051 0.000 1.049 42 V CB -0.655 31.164 31.823 -0.006 0.000 0.662 42 V HN 0.456 nan 8.190 nan 0.000 0.455 43 E N 0.118 120.356 120.200 0.065 0.000 2.072 43 E HA -0.188 4.034 4.350 -0.212 0.000 0.190 43 E C 2.248 178.957 176.600 0.181 0.000 0.982 43 E CA 1.678 58.137 56.400 0.098 0.000 0.803 43 E CB -0.072 29.663 29.700 0.058 0.000 0.755 43 E HN 0.617 nan 8.360 nan 0.000 0.453 44 T N 1.441 116.109 114.554 0.190 0.000 2.720 44 T HA -0.144 4.079 4.350 -0.212 0.000 0.268 44 T C 1.558 176.484 174.700 0.377 0.000 1.037 44 T CA 1.164 63.425 62.100 0.268 0.000 1.144 44 T CB -0.180 68.732 68.868 0.073 0.000 0.864 44 T HN 0.166 nan 8.240 nan 0.000 0.444 45 E N 1.000 121.419 120.200 0.365 0.000 2.160 45 E HA -0.067 4.156 4.350 -0.212 0.000 0.195 45 E C 2.452 179.243 176.600 0.319 0.000 0.991 45 E CA 1.110 57.736 56.400 0.375 0.000 0.810 45 E CB -0.302 29.535 29.700 0.229 0.000 0.742 45 E HN 0.547 nan 8.360 nan 0.000 0.466 46 A N 1.155 124.131 122.820 0.260 0.000 1.898 46 A HA 0.087 4.279 4.320 -0.212 0.000 0.214 46 A C 2.413 180.171 177.584 0.291 0.000 1.183 46 A CA 1.447 53.621 52.037 0.227 0.000 0.622 46 A CB -0.460 18.639 19.000 0.164 0.000 0.824 46 A HN 0.247 nan 8.150 nan 0.000 0.444 47 A N -0.972 122.062 122.820 0.357 0.000 1.940 47 A HA -0.214 3.979 4.320 -0.212 0.000 0.219 47 A C 2.103 179.948 177.584 0.434 0.000 1.176 47 A CA 1.535 53.865 52.037 0.488 0.000 0.631 47 A CB -0.877 18.504 19.000 0.634 0.000 0.814 47 A HN 0.886 nan 8.150 nan 0.000 0.446 48 W N 0.643 121.925 121.300 -0.031 0.000 2.409 48 W HA -0.059 4.469 4.660 -0.220 0.000 0.299 48 W C 2.196 178.596 176.519 -0.199 0.000 1.203 48 W CA 1.724 58.756 57.345 -0.522 0.000 1.298 48 W CB -0.442 28.727 29.460 -0.485 0.000 1.127 48 W HN 0.406 nan 8.180 nan 0.000 0.528 49 A N 0.053 122.963 122.820 0.149 0.000 1.933 49 A HA -0.274 3.919 4.320 -0.212 0.000 0.218 49 A C 1.871 179.439 177.584 -0.027 0.000 1.175 49 A CA 1.754 53.827 52.037 0.059 0.000 0.628 49 A CB -1.590 17.506 19.000 0.160 0.000 0.814 49 A HN 0.512 nan 8.150 nan 0.000 0.444 50 Y N 0.783 121.071 120.300 -0.021 0.000 2.133 50 Y HA -0.128 4.457 4.550 0.058 0.000 0.287 50 Y C 2.244 178.113 175.900 -0.050 0.000 1.134 50 Y CA 1.894 59.991 58.100 -0.006 0.000 1.133 50 Y CB -0.367 38.129 38.460 0.059 0.000 0.987 50 Y HN 0.265 nan 8.280 nan 0.000 0.502 51 R N -0.395 119.920 120.500 -0.308 0.000 2.357 51 R HA -0.019 4.194 4.340 -0.212 0.000 0.202 51 R C 1.861 177.886 176.300 -0.458 0.000 1.047 51 R CA 0.968 56.846 56.100 -0.369 0.000 1.034 51 R CB -0.167 30.148 30.300 0.025 0.000 0.875 51 R HN 0.230 nan 8.270 nan 0.000 0.473 52 S N -0.211 115.166 115.700 -0.538 0.000 2.497 52 S HA 0.236 4.579 4.470 -0.212 0.000 0.221 52 S C 0.418 174.824 174.600 -0.323 0.000 1.037 52 S CA 0.107 57.999 58.200 -0.513 0.000 0.920 52 S CB 1.094 63.891 63.200 -0.671 0.000 0.800 52 S HN 0.337 nan 8.310 nan 0.000 0.505 53 A N 1.365 124.008 122.820 -0.295 0.000 2.530 53 A HA 0.601 4.793 4.320 -0.212 0.000 0.279 53 A C -0.754 176.698 177.584 -0.221 0.000 1.109 53 A CA -0.525 51.397 52.037 -0.191 0.000 0.763 53 A CB 0.399 19.337 19.000 -0.103 0.000 1.257 53 A HN 0.310 nan 8.150 nan 0.000 0.424 54 I N 3.868 124.285 120.570 -0.254 0.000 2.293 54 I HA 0.207 4.249 4.170 -0.212 0.000 0.299 54 I C 0.784 176.939 176.117 0.065 0.000 1.153 54 I CA 0.321 61.482 61.300 -0.231 0.000 1.302 54 I CB 0.258 38.124 38.000 -0.223 0.000 1.460 54 I HN 0.703 nan 8.210 nan 0.000 0.552 55 T N -0.626 114.034 114.554 0.177 0.000 2.930 55 T HA 0.327 4.550 4.350 -0.212 0.000 0.290 55 T C 0.619 175.430 174.700 0.186 0.000 1.052 55 T CA -0.832 61.355 62.100 0.144 0.000 1.017 55 T CB 2.271 71.195 68.868 0.094 0.000 1.137 55 T HN 0.254 nan 8.240 nan 0.000 0.511 56 D N 0.005 120.471 120.400 0.110 0.000 2.183 56 D HA -0.058 4.455 4.640 -0.212 0.000 0.203 56 D C 1.724 178.057 176.300 0.055 0.000 0.969 56 D CA 1.010 55.054 54.000 0.074 0.000 0.842 56 D CB -0.025 40.804 40.800 0.048 0.000 0.957 56 D HN 0.847 nan 8.370 nan 0.000 0.484 57 E N 0.724 120.962 120.200 0.064 0.000 2.031 57 E HA -0.186 4.037 4.350 -0.212 0.000 0.193 57 E C 1.590 178.229 176.600 0.064 0.000 0.994 57 E CA 0.957 57.388 56.400 0.053 0.000 0.800 57 E CB 0.147 29.877 29.700 0.051 0.000 0.752 57 E HN 0.071 nan 8.360 nan 0.000 0.447 58 N N 0.841 119.608 118.700 0.111 0.000 2.166 58 N HA -0.200 4.412 4.740 -0.212 0.000 0.186 58 N C 1.682 177.241 175.510 0.082 0.000 1.019 58 N CA 1.212 54.353 53.050 0.151 0.000 0.856 58 N CB -0.352 38.290 38.487 0.257 0.000 0.993 58 N HN 0.398 nan 8.380 nan 0.000 0.426 59 E N 1.251 121.445 120.200 -0.009 0.000 2.072 59 E HA -0.182 4.040 4.350 -0.212 0.000 0.191 59 E C 1.905 178.416 176.600 -0.148 0.000 0.985 59 E CA 0.982 57.202 56.400 -0.300 0.000 0.801 59 E CB 0.074 29.591 29.700 -0.306 0.000 0.750 59 E HN 0.264 nan 8.360 nan 0.000 0.452 60 K N 1.020 121.386 120.400 -0.056 0.000 2.026 60 K HA -0.235 3.957 4.320 -0.212 0.000 0.208 60 K C 2.295 178.890 176.600 -0.007 0.000 1.048 60 K CA 1.757 58.028 56.287 -0.027 0.000 0.929 60 K CB -0.121 32.378 32.500 -0.002 0.000 0.713 60 K HN -0.054 nan 8.250 nan 0.000 0.439 61 K N 1.179 121.587 120.400 0.013 0.000 2.026 61 K HA -0.215 3.978 4.320 -0.212 0.000 0.208 61 K C 2.232 178.854 176.600 0.036 0.000 1.048 61 K CA 1.807 58.114 56.287 0.032 0.000 0.929 61 K CB -0.125 32.405 32.500 0.050 0.000 0.713 61 K HN 0.104 nan 8.250 nan 0.000 0.439 62 K N 0.553 120.970 120.400 0.029 0.000 1.987 62 K HA -0.217 3.976 4.320 -0.212 0.000 0.216 62 K C 1.675 178.290 176.600 0.025 0.000 1.051 62 K CA 2.101 58.411 56.287 0.038 0.000 0.942 62 K CB -0.224 32.268 32.500 -0.014 0.000 0.722 62 K HN 0.189 nan 8.250 nan 0.000 0.444 63 N N 0.892 119.580 118.700 -0.020 0.000 2.364 63 N HA -0.166 4.446 4.740 -0.212 0.000 0.183 63 N C 1.610 177.147 175.510 0.046 0.000 1.022 63 N CA 1.075 54.123 53.050 -0.004 0.000 0.883 63 N CB -0.057 38.400 38.487 -0.050 0.000 0.965 63 N HN 0.452 nan 8.380 nan 0.000 0.438 64 E N 0.412 120.635 120.200 0.039 0.000 2.107 64 E HA -0.061 4.162 4.350 -0.212 0.000 0.191 64 E C 1.702 178.338 176.600 0.061 0.000 0.982 64 E CA 0.538 56.968 56.400 0.050 0.000 0.809 64 E CB 0.187 29.908 29.700 0.035 0.000 0.756 64 E HN 0.096 nan 8.360 nan 0.000 0.459 65 I N 0.879 121.485 120.570 0.059 0.000 2.163 65 I HA -0.209 3.834 4.170 -0.212 0.000 0.240 65 I C 2.326 178.487 176.117 0.074 0.000 1.081 65 I CA 1.095 62.427 61.300 0.053 0.000 1.353 65 I CB -1.445 36.590 38.000 0.058 0.000 1.054 65 I HN 0.057 nan 8.210 nan 0.000 0.407 66 S N 1.320 117.088 115.700 0.114 0.000 2.387 66 S HA -0.165 4.177 4.470 -0.212 0.000 0.230 66 S C 2.213 176.967 174.600 0.257 0.000 1.035 66 S CA 1.409 59.721 58.200 0.187 0.000 1.014 66 S CB -0.392 62.937 63.200 0.215 0.000 0.836 66 S HN 0.574 nan 8.310 nan 0.000 0.466 67 A N 1.337 124.299 122.820 0.237 0.000 1.897 67 A HA -0.101 4.091 4.320 -0.212 0.000 0.215 67 A C 2.084 179.707 177.584 0.065 0.000 1.181 67 A CA 1.478 53.642 52.037 0.212 0.000 0.620 67 A CB -0.539 18.570 19.000 0.183 0.000 0.821 67 A HN 0.577 nan 8.150 nan 0.000 0.443 68 E N -0.458 119.775 120.200 0.055 0.000 2.051 68 E HA -0.203 4.020 4.350 -0.212 0.000 0.192 68 E C 1.929 178.548 176.600 0.030 0.000 0.991 68 E CA 1.382 57.800 56.400 0.031 0.000 0.799 68 E CB -0.208 29.499 29.700 0.013 0.000 0.748 68 E HN 0.396 nan 8.360 nan 0.000 0.449 69 L N 1.256 122.490 121.223 0.018 0.000 2.042 69 L HA -0.139 4.074 4.340 -0.212 0.000 0.210 69 L C 2.341 179.227 176.870 0.027 0.000 1.076 69 L CA 2.292 57.145 54.840 0.022 0.000 0.749 69 L CB -0.956 41.103 42.059 0.000 0.000 0.893 69 L HN 0.196 nan 8.230 nan 0.000 0.432 70 A N -0.693 122.077 122.820 -0.083 0.000 1.948 70 A HA -0.269 3.923 4.320 -0.212 0.000 0.220 70 A C 2.314 179.804 177.584 -0.158 0.000 1.177 70 A CA 2.184 54.062 52.037 -0.265 0.000 0.636 70 A CB -0.530 17.988 19.000 -0.805 0.000 0.815 70 A HN 0.578 nan 8.150 nan 0.000 0.449 71 K N -1.959 118.399 120.400 -0.070 0.000 2.116 71 K HA -0.004 4.189 4.320 -0.212 0.000 0.203 71 K C 1.764 178.381 176.600 0.028 0.000 1.052 71 K CA 1.215 57.487 56.287 -0.025 0.000 0.952 71 K CB -0.263 32.241 32.500 0.007 0.000 0.729 71 K HN 0.484 nan 8.250 nan 0.000 0.446 72 F N 1.848 121.757 119.950 -0.068 0.000 2.171 72 F HA -0.184 4.216 4.527 -0.212 0.000 0.300 72 F C 2.091 177.862 175.800 -0.048 0.000 1.090 72 F CA 1.268 59.237 58.000 -0.052 0.000 1.293 72 F CB 0.015 38.978 39.000 -0.062 0.000 1.013 72 F HN -0.093 nan 8.300 nan 0.000 0.486 73 M N 0.489 120.104 119.600 0.025 0.000 2.086 73 M HA -0.201 4.151 4.480 -0.212 0.000 0.261 73 M C 2.083 178.322 176.300 -0.100 0.000 1.067 73 M CA 1.698 56.968 55.300 -0.051 0.000 1.116 73 M CB -1.298 31.293 32.600 -0.015 0.000 1.348 73 M HN 0.108 nan 8.290 nan 0.000 0.407 74 K N -0.203 120.144 120.400 -0.088 0.000 2.032 74 K HA -0.205 3.987 4.320 -0.212 0.000 0.209 74 K C 1.954 178.499 176.600 -0.092 0.000 1.048 74 K CA 1.421 57.663 56.287 -0.075 0.000 0.927 74 K CB -0.238 32.221 32.500 -0.068 0.000 0.712 74 K HN 0.134 nan 8.250 nan 0.000 0.441 75 E N 0.494 120.612 120.200 -0.136 0.000 2.333 75 E HA -0.102 4.120 4.350 -0.212 0.000 0.198 75 E C 1.419 177.898 176.600 -0.202 0.000 1.007 75 E CA 0.594 56.897 56.400 -0.162 0.000 0.845 75 E CB 0.241 29.829 29.700 -0.186 0.000 0.766 75 E HN 0.033 nan 8.360 nan 0.000 0.507 76 V N -0.632 119.134 119.914 -0.247 0.000 3.307 76 V HA 0.132 4.124 4.120 -0.212 0.000 0.253 76 V C 1.923 178.012 176.094 -0.009 0.000 1.149 76 V CA 0.962 63.163 62.300 -0.166 0.000 1.112 76 V CB 0.217 31.867 31.823 -0.287 0.000 0.777 76 V HN 0.316 nan 8.190 nan 0.000 0.464 77 A N 0.936 123.741 122.820 -0.026 0.000 1.969 77 A HA -0.136 4.057 4.320 -0.212 0.000 0.218 77 A C 2.407 180.019 177.584 0.047 0.000 1.169 77 A CA 1.928 53.983 52.037 0.030 0.000 0.635 77 A CB -0.384 18.619 19.000 0.006 0.000 0.810 77 A HN 0.645 nan 8.150 nan 0.000 0.445 78 S N -0.636 115.068 115.700 0.007 0.000 2.501 78 S HA -0.029 4.314 4.470 -0.212 0.000 0.220 78 S C 1.031 175.632 174.600 0.001 0.000 0.997 78 S CA 0.854 59.054 58.200 -0.001 0.000 0.919 78 S CB -0.188 62.997 63.200 -0.026 0.000 0.778 78 S HN 0.412 nan 8.310 nan 0.000 0.523 79 D N 2.671 123.081 120.400 0.018 0.000 2.149 79 D HA -0.032 4.480 4.640 -0.212 0.000 0.201 79 D C 2.216 178.547 176.300 0.051 0.000 0.972 79 D CA 1.770 55.773 54.000 0.005 0.000 0.835 79 D CB -0.754 40.065 40.800 0.031 0.000 0.966 79 D HN 0.678 nan 8.370 nan 0.000 0.476 80 T N -2.024 112.649 114.554 0.198 0.000 3.077 80 T HA -0.093 4.130 4.350 -0.212 0.000 0.269 80 T C 1.703 176.493 174.700 0.149 0.000 1.146 80 T CA 1.156 63.456 62.100 0.333 0.000 1.091 80 T CB -0.513 68.652 68.868 0.496 0.000 0.892 80 T HN -0.072 nan 8.240 nan 0.000 0.533 81 T N 1.301 115.879 114.554 0.040 0.000 2.833 81 T HA -0.016 4.207 4.350 -0.212 0.000 0.269 81 T C 1.714 176.349 174.700 -0.109 0.000 1.054 81 T CA 1.304 63.380 62.100 -0.040 0.000 1.135 81 T CB -0.187 68.649 68.868 -0.053 0.000 0.869 81 T HN 0.581 nan 8.240 nan 0.000 0.466 82 K N 0.622 120.922 120.400 -0.166 0.000 1.965 82 K HA -0.072 4.120 4.320 -0.212 0.000 0.218 82 K C -0.080 176.327 176.600 -0.322 0.000 1.048 82 K CA 1.047 57.131 56.287 -0.338 0.000 0.960 82 K CB -0.332 31.800 32.500 -0.614 0.000 0.732 82 K HN 0.227 nan 8.250 nan 0.000 0.444 83 F N 2.324 122.224 119.950 -0.082 0.000 2.519 83 F HA 0.048 4.447 4.527 -0.213 0.000 0.375 83 F C 0.508 176.174 175.800 -0.224 0.000 1.084 83 F CA -0.050 57.920 58.000 -0.050 0.000 1.147 83 F CB 0.449 39.427 39.000 -0.036 0.000 1.088 83 F HN 0.204 nan 8.300 nan 0.000 0.555 84 Q N 5.968 125.762 119.800 -0.011 0.000 2.844 84 Q HA 0.043 4.256 4.340 -0.212 0.000 0.235 84 Q C 0.808 176.430 176.000 -0.630 0.000 1.336 84 Q CA -0.332 55.296 55.803 -0.292 0.000 1.026 84 Q CB -0.112 28.539 28.738 -0.146 0.000 1.513 84 Q HN 0.703 nan 8.270 nan 0.000 0.577 85 W N 2.243 122.843 121.300 -1.166 0.000 2.425 85 W HA -0.059 4.474 4.660 -0.211 0.000 0.277 85 W C 0.145 176.274 176.519 -0.650 0.000 1.231 85 W CA 0.110 56.453 57.345 -1.671 0.000 1.248 85 W CB -0.273 28.377 29.460 -1.351 0.000 1.117 85 W HN 0.415 nan 8.180 nan 0.000 0.568 86 R N 1.331 121.198 120.500 -1.055 0.000 2.808 86 R HA -0.014 4.199 4.340 -0.212 0.000 0.215 86 R C 0.772 176.907 176.300 -0.274 0.000 1.569 86 R CA 0.818 56.493 56.100 -0.707 0.000 1.396 86 R CB -0.365 29.387 30.300 -0.913 0.000 1.048 86 R HN 0.058 nan 8.270 nan 0.000 0.501 87 S N -1.411 114.231 115.700 -0.097 0.000 2.790 87 S HA 0.087 4.430 4.470 -0.212 0.000 0.213 87 S C -0.572 174.178 174.600 0.250 0.000 0.790 87 S CA -0.575 57.656 58.200 0.052 0.000 1.339 87 S CB -0.059 63.144 63.200 0.006 0.000 1.297 87 S HN 0.169 nan 8.310 nan 0.000 0.565 88 Y N 2.572 122.910 120.300 0.062 0.000 2.188 88 Y HA 0.310 4.733 4.550 -0.212 0.000 0.360 88 Y C 1.915 177.863 175.900 0.081 0.000 1.324 88 Y CA -0.307 57.846 58.100 0.089 0.000 1.726 88 Y CB 0.168 38.721 38.460 0.154 0.000 1.536 88 Y HN 0.308 nan 8.280 nan 0.000 0.628 89 Q N 0.310 120.232 119.800 0.203 0.000 2.010 89 Q HA 0.101 4.314 4.340 -0.212 0.000 0.215 89 Q C 0.303 176.385 176.000 0.136 0.000 0.984 89 Q CA 0.627 56.501 55.803 0.118 0.000 0.853 89 Q CB -1.226 27.540 28.738 0.048 0.000 0.922 89 Q HN 0.527 nan 8.270 nan 0.000 0.478 90 S N 1.884 117.658 115.700 0.123 0.000 2.515 90 S HA -0.003 4.339 4.470 -0.212 0.000 0.285 90 S C 0.619 175.314 174.600 0.159 0.000 1.265 90 S CA -0.125 58.146 58.200 0.118 0.000 1.079 90 S CB 0.248 63.507 63.200 0.097 0.000 0.877 90 S HN 0.451 nan 8.310 nan 0.000 0.493 91 E N 1.763 122.043 120.200 0.133 0.000 2.502 91 E HA -0.089 4.134 4.350 -0.212 0.000 0.194 91 E C 0.833 177.511 176.600 0.131 0.000 1.062 91 E CA 0.651 57.136 56.400 0.143 0.000 0.867 91 E CB -0.176 29.591 29.700 0.112 0.000 0.888 91 E HN 0.838 nan 8.360 nan 0.000 0.510 92 D N 1.274 121.748 120.400 0.124 0.000 2.097 92 D HA -0.183 4.329 4.640 -0.212 0.000 0.197 92 D C 1.837 178.232 176.300 0.159 0.000 0.984 92 D CA 0.779 54.865 54.000 0.144 0.000 0.826 92 D CB 0.001 40.878 40.800 0.129 0.000 0.973 92 D HN 0.165 nan 8.370 nan 0.000 0.460 93 L N 0.556 121.864 121.223 0.142 0.000 2.056 93 L HA 0.038 4.251 4.340 -0.212 0.000 0.207 93 L C 2.331 179.328 176.870 0.210 0.000 1.078 93 L CA 1.481 56.406 54.840 0.141 0.000 0.749 93 L CB -0.697 41.489 42.059 0.212 0.000 0.901 93 L HN 0.057 nan 8.230 nan 0.000 0.433 94 K N -0.818 119.740 120.400 0.264 0.000 2.365 94 K HA -0.160 4.032 4.320 -0.212 0.000 0.199 94 K C 2.273 178.936 176.600 0.105 0.000 1.045 94 K CA 0.679 57.129 56.287 0.271 0.000 0.962 94 K CB 0.098 32.786 32.500 0.313 0.000 0.759 94 K HN 0.139 nan 8.250 nan 0.000 0.469 95 R N 0.454 121.008 120.500 0.089 0.000 2.090 95 R HA -0.080 4.133 4.340 -0.212 0.000 0.228 95 R C 1.979 178.263 176.300 -0.027 0.000 1.110 95 R CA 1.366 57.496 56.100 0.051 0.000 0.973 95 R CB 0.051 30.418 30.300 0.112 0.000 0.869 95 R HN 0.271 nan 8.270 nan 0.000 0.440 96 Q N -0.640 119.116 119.800 -0.073 0.000 2.124 96 Q HA -0.165 4.048 4.340 -0.212 0.000 0.202 96 Q C 1.813 177.554 176.000 -0.433 0.000 0.977 96 Q CA 1.597 57.228 55.803 -0.287 0.000 0.850 96 Q CB -0.090 28.377 28.738 -0.452 0.000 0.901 96 Q HN 0.284 nan 8.270 nan 0.000 0.429 97 F N 1.137 120.778 119.950 -0.515 0.000 2.113 97 F HA -0.150 4.249 4.527 -0.212 0.000 0.297 97 F C 2.383 177.505 175.800 -1.130 0.000 1.103 97 F CA 1.321 58.765 58.000 -0.926 0.000 1.248 97 F CB -0.181 37.900 39.000 -1.533 0.000 0.999 97 F HN -0.061 nan 8.300 nan 0.000 0.475 98 K N 0.238 120.052 120.400 -0.977 0.000 2.152 98 K HA -0.166 4.026 4.320 -0.212 0.000 0.206 98 K C 2.117 178.565 176.600 -0.253 0.000 1.048 98 K CA 1.156 57.070 56.287 -0.622 0.000 0.933 98 K CB -0.208 32.151 32.500 -0.235 0.000 0.721 98 K HN 0.226 nan 8.250 nan 0.000 0.447 99 A N 0.867 123.551 122.820 -0.226 0.000 1.872 99 A HA -0.080 4.113 4.320 -0.212 0.000 0.214 99 A C 1.944 179.453 177.584 -0.125 0.000 1.187 99 A CA 0.909 52.867 52.037 -0.131 0.000 0.614 99 A CB -0.340 18.595 19.000 -0.108 0.000 0.826 99 A HN 0.226 nan 8.150 nan 0.000 0.442 100 L N 0.571 121.686 121.223 -0.181 0.000 2.131 100 L HA -0.088 4.125 4.340 -0.212 0.000 0.206 100 L C 2.893 179.726 176.870 -0.060 0.000 1.087 100 L CA 2.366 57.130 54.840 -0.126 0.000 0.767 100 L CB -2.069 39.878 42.059 -0.188 0.000 0.917 100 L HN 0.671 nan 8.230 nan 0.000 0.441 101 T N -2.622 111.897 114.554 -0.058 0.000 2.881 101 T HA -0.190 4.033 4.350 -0.212 0.000 0.270 101 T C 1.139 175.860 174.700 0.035 0.000 1.068 101 T CA 0.556 62.681 62.100 0.041 0.000 1.131 101 T CB -0.317 68.633 68.868 0.137 0.000 0.871 101 T HN 0.115 nan 8.240 nan 0.000 0.479 102 K N 1.563 121.970 120.400 0.011 0.000 2.237 102 K HA 0.273 4.465 4.320 -0.212 0.000 0.283 102 K C -0.789 175.835 176.600 0.041 0.000 1.080 102 K CA -0.473 55.840 56.287 0.042 0.000 0.965 102 K CB 0.079 32.621 32.500 0.070 0.000 1.098 102 K HN 0.161 nan 8.250 nan 0.000 0.434 103 L N 1.643 122.891 121.223 0.042 0.000 2.421 103 L HA 0.302 4.515 4.340 -0.212 0.000 0.263 103 L C 1.220 178.119 176.870 0.048 0.000 1.122 103 L CA 0.498 55.358 54.840 0.033 0.000 0.804 103 L CB 1.246 43.318 42.059 0.022 0.000 1.150 103 L HN 0.664 nan 8.230 nan 0.000 0.457 104 G N -0.235 108.577 108.800 0.021 0.000 3.374 104 G HA2 0.019 3.852 3.960 -0.212 0.000 0.200 104 G HA3 0.019 3.852 3.960 -0.212 0.000 0.200 104 G C 0.278 175.210 174.900 0.054 0.000 1.801 104 G CA 0.132 45.201 45.100 -0.051 0.000 0.842 104 G HN 0.480 nan 8.290 nan 0.000 0.688 105 Y N 1.605 121.990 120.300 0.141 0.000 2.680 105 Y HA 0.227 4.647 4.550 -0.217 0.000 0.303 105 Y C 2.758 178.810 175.900 0.254 0.000 1.166 105 Y CA -0.082 58.144 58.100 0.209 0.000 1.344 105 Y CB -0.684 37.937 38.460 0.267 0.000 1.002 105 Y HN 0.272 nan 8.280 nan 0.000 0.537 106 A N -0.273 122.673 122.820 0.209 0.000 2.067 106 A HA 0.135 4.327 4.320 -0.212 0.000 0.217 106 A C 2.393 179.966 177.584 -0.018 0.000 1.156 106 A CA 0.968 52.971 52.037 -0.056 0.000 0.683 106 A CB -0.680 18.260 19.000 -0.100 0.000 0.808 106 A HN 0.310 nan 8.150 nan 0.000 0.455 107 A N -0.840 122.011 122.820 0.053 0.000 2.121 107 A HA 0.223 4.416 4.320 -0.212 0.000 0.218 107 A C 0.869 178.481 177.584 0.046 0.000 1.154 107 A CA 0.326 52.385 52.037 0.035 0.000 0.679 107 A CB -0.464 18.562 19.000 0.044 0.000 0.795 107 A HN 0.389 nan 8.150 nan 0.000 0.458 108 L N 1.470 122.751 121.223 0.096 0.000 2.453 108 L HA 0.227 4.440 4.340 -0.212 0.000 0.272 108 L C -1.846 175.068 176.870 0.074 0.000 1.182 108 L CA -1.828 53.077 54.840 0.109 0.000 0.858 108 L CB 0.343 42.526 42.059 0.206 0.000 1.120 108 L HN 0.116 nan 8.230 nan 0.000 0.474 109 P HA -0.019 nan 4.420 nan 0.000 0.271 109 P C 0.377 177.718 177.300 0.068 0.000 1.218 109 P CA -0.245 62.878 63.100 0.039 0.000 0.780 109 P CB 0.626 32.342 31.700 0.026 0.000 0.901 110 E N 2.082 122.311 120.200 0.048 0.000 2.136 110 E HA -0.308 3.915 4.350 -0.212 0.000 0.208 110 E C 1.227 177.885 176.600 0.098 0.000 1.035 110 E CA 2.406 58.849 56.400 0.072 0.000 0.838 110 E CB -0.158 29.565 29.700 0.038 0.000 0.748 110 E HN 0.580 nan 8.360 nan 0.000 0.459 111 D N 0.114 120.551 120.400 0.061 0.000 2.097 111 D HA -0.212 4.300 4.640 -0.212 0.000 0.195 111 D C 1.403 177.732 176.300 0.047 0.000 0.989 111 D CA 1.382 55.409 54.000 0.046 0.000 0.827 111 D CB -0.630 40.185 40.800 0.025 0.000 0.966 111 D HN 0.171 nan 8.370 nan 0.000 0.456 112 D N 0.197 120.627 120.400 0.050 0.000 2.084 112 D HA -0.194 4.319 4.640 -0.212 0.000 0.194 112 D C 2.037 178.358 176.300 0.035 0.000 0.990 112 D CA 0.859 54.877 54.000 0.029 0.000 0.826 112 D CB -1.010 39.807 40.800 0.028 0.000 0.971 112 D HN 0.295 nan 8.370 nan 0.000 0.453 113 Y N 1.713 122.001 120.300 -0.020 0.000 2.102 113 Y HA -0.295 4.128 4.550 -0.212 0.000 0.280 113 Y C 2.354 178.243 175.900 -0.017 0.000 1.178 113 Y CA 2.056 60.148 58.100 -0.013 0.000 1.146 113 Y CB -0.383 38.088 38.460 0.018 0.000 0.968 113 Y HN -0.022 nan 8.280 nan 0.000 0.504 114 A N -0.424 122.435 122.820 0.064 0.000 1.969 114 A HA -0.188 4.004 4.320 -0.212 0.000 0.218 114 A C 2.188 179.722 177.584 -0.083 0.000 1.169 114 A CA 1.610 53.639 52.037 -0.013 0.000 0.635 114 A CB -0.755 18.275 19.000 0.049 0.000 0.810 114 A HN 0.648 nan 8.150 nan 0.000 0.445 115 E N -0.718 119.443 120.200 -0.065 0.000 2.208 115 E HA -0.127 4.095 4.350 -0.212 0.000 0.193 115 E C 1.786 178.314 176.600 -0.119 0.000 0.988 115 E CA 0.852 57.209 56.400 -0.071 0.000 0.828 115 E CB -0.098 29.576 29.700 -0.044 0.000 0.763 115 E HN 0.451 nan 8.360 nan 0.000 0.478 116 L N 0.765 121.872 121.223 -0.193 0.000 2.023 116 L HA -0.073 4.140 4.340 -0.212 0.000 0.205 116 L C 2.109 178.814 176.870 -0.275 0.000 1.073 116 L CA 1.421 56.106 54.840 -0.259 0.000 0.745 116 L CB -0.498 41.321 42.059 -0.399 0.000 0.900 116 L HN 0.202 nan 8.230 nan 0.000 0.435 117 L N -0.400 120.605 121.223 -0.363 0.000 2.089 117 L HA -0.287 3.925 4.340 -0.212 0.000 0.213 117 L C 2.344 179.109 176.870 -0.175 0.000 1.079 117 L CA 1.681 56.348 54.840 -0.287 0.000 0.758 117 L CB -0.816 41.073 42.059 -0.283 0.000 0.891 117 L HN 0.458 nan 8.230 nan 0.000 0.433 118 D N -0.553 119.761 120.400 -0.144 0.000 2.087 118 D HA -0.165 4.348 4.640 -0.212 0.000 0.201 118 D C 2.171 178.424 176.300 -0.077 0.000 0.980 118 D CA 2.163 56.107 54.000 -0.095 0.000 0.849 118 D CB 0.077 40.836 40.800 -0.069 0.000 1.001 118 D HN 0.340 nan 8.370 nan 0.000 0.452 119 T N 0.079 114.591 114.554 -0.070 0.000 2.778 119 T HA -0.202 4.021 4.350 -0.212 0.000 0.269 119 T C 2.164 176.827 174.700 -0.062 0.000 1.050 119 T CA 0.887 62.962 62.100 -0.041 0.000 1.137 119 T CB -0.411 68.446 68.868 -0.019 0.000 0.860 119 T HN -0.032 nan 8.240 nan 0.000 0.468 120 L N 1.277 122.433 121.223 -0.112 0.000 2.005 120 L HA 0.090 4.302 4.340 -0.212 0.000 0.207 120 L C 3.069 179.885 176.870 -0.089 0.000 1.072 120 L CA 1.766 56.519 54.840 -0.145 0.000 0.744 120 L CB -1.190 40.769 42.059 -0.167 0.000 0.895 120 L HN 0.287 nan 8.230 nan 0.000 0.433 121 S N -0.839 114.809 115.700 -0.086 0.000 2.400 121 S HA -0.211 4.132 4.470 -0.212 0.000 0.232 121 S C 2.062 176.654 174.600 -0.013 0.000 1.025 121 S CA 1.099 59.257 58.200 -0.071 0.000 0.993 121 S CB -0.386 62.744 63.200 -0.117 0.000 0.808 121 S HN 0.571 nan 8.310 nan 0.000 0.478 122 A N 1.310 124.124 122.820 -0.011 0.000 1.930 122 A HA -0.054 4.139 4.320 -0.212 0.000 0.217 122 A C 2.119 179.733 177.584 0.050 0.000 1.175 122 A CA 1.356 53.406 52.037 0.023 0.000 0.627 122 A CB -0.495 18.515 19.000 0.018 0.000 0.815 122 A HN 0.504 nan 8.150 nan 0.000 0.443 123 M N -1.281 118.341 119.600 0.038 0.000 2.123 123 M HA -0.112 4.240 4.480 -0.212 0.000 0.263 123 M C 2.232 178.588 176.300 0.092 0.000 1.069 123 M CA 1.806 57.144 55.300 0.063 0.000 1.133 123 M CB -0.601 32.017 32.600 0.030 0.000 1.356 123 M HN 0.597 nan 8.290 nan 0.000 0.415 124 E N 0.962 121.198 120.200 0.061 0.000 2.058 124 E HA -0.199 4.024 4.350 -0.212 0.000 0.194 124 E C 2.012 178.748 176.600 0.226 0.000 0.997 124 E CA 2.149 58.614 56.400 0.108 0.000 0.801 124 E CB 0.111 29.872 29.700 0.101 0.000 0.746 124 E HN 0.540 nan 8.360 nan 0.000 0.450 125 S N 0.637 116.465 115.700 0.213 0.000 2.387 125 S HA -0.165 4.178 4.470 -0.212 0.000 0.226 125 S C 1.880 176.588 174.600 0.180 0.000 1.026 125 S CA 1.089 59.427 58.200 0.230 0.000 0.972 125 S CB -0.566 62.766 63.200 0.219 0.000 0.814 125 S HN 0.312 nan 8.310 nan 0.000 0.477 126 N N 1.029 119.817 118.700 0.146 0.000 2.069 126 N HA -0.181 4.431 4.740 -0.212 0.000 0.191 126 N C 1.608 177.190 175.510 0.119 0.000 1.031 126 N CA 1.646 54.758 53.050 0.104 0.000 0.852 126 N CB -0.426 38.106 38.487 0.075 0.000 1.018 126 N HN 0.498 nan 8.380 nan 0.000 0.423 127 F N 1.645 121.623 119.950 0.046 0.000 2.069 127 F HA -0.135 4.263 4.527 -0.216 0.000 0.298 127 F C 2.473 178.360 175.800 0.145 0.000 1.113 127 F CA 2.001 60.048 58.000 0.079 0.000 1.214 127 F CB -0.534 38.534 39.000 0.113 0.000 0.978 127 F HN 0.110 nan 8.300 nan 0.000 0.474 128 A N -0.340 122.754 122.820 0.456 0.000 2.070 128 A HA -0.174 4.018 4.320 -0.212 0.000 0.220 128 A C 1.989 179.658 177.584 0.141 0.000 1.159 128 A CA 1.569 53.794 52.037 0.314 0.000 0.656 128 A CB -0.620 18.538 19.000 0.263 0.000 0.800 128 A HN 0.503 nan 8.150 nan 0.000 0.453 129 K N -0.305 120.157 120.400 0.102 0.000 2.404 129 K HA 0.230 4.422 4.320 -0.212 0.000 0.194 129 K C -0.249 176.369 176.600 0.029 0.000 1.023 129 K CA -0.282 56.041 56.287 0.060 0.000 1.094 129 K CB 0.350 32.886 32.500 0.060 0.000 0.841 129 K HN 0.262 nan 8.250 nan 0.000 0.523 130 V N 2.757 122.671 119.914 -0.000 0.000 2.788 130 V HA -0.051 3.941 4.120 -0.212 0.000 0.307 130 V C 0.323 176.439 176.094 0.037 0.000 1.069 130 V CA 0.570 62.859 62.300 -0.018 0.000 1.173 130 V CB 0.462 32.239 31.823 -0.077 0.000 0.925 130 V HN 0.159 nan 8.190 nan 0.000 0.492 131 K N 3.180 123.605 120.400 0.041 0.000 2.523 131 K HA 0.688 4.880 4.320 -0.212 0.000 0.257 131 K C -1.109 175.537 176.600 0.078 0.000 0.932 131 K CA -0.470 55.854 56.287 0.063 0.000 0.812 131 K CB 2.397 34.928 32.500 0.052 0.000 1.326 131 K HN 0.583 nan 8.250 nan 0.000 0.433 132 V N -1.883 118.100 119.914 0.116 0.000 3.130 132 V HA 0.685 4.677 4.120 -0.212 0.000 0.310 132 V C -0.433 175.784 176.094 0.204 0.000 1.158 132 V CA -0.869 61.519 62.300 0.146 0.000 1.029 132 V CB 1.888 33.806 31.823 0.160 0.000 1.057 132 V HN 0.845 nan 8.190 nan 0.000 0.436 133 c N 1.585 120.333 118.600 0.246 0.000 2.365 133 c HA 0.561 5.004 4.570 -0.212 0.000 0.351 133 c C 0.262 174.572 174.090 0.366 0.000 1.240 133 c CA -0.264 56.215 56.329 0.249 0.000 2.062 133 c CB -0.164 42.457 42.510 0.185 0.000 2.387 133 c HN 1.015 nan 8.230 nan 0.000 0.537 134 D N 0.020 120.598 120.400 0.296 0.000 2.506 134 D HA -0.035 4.478 4.640 -0.212 0.000 0.234 134 D C 0.574 176.992 176.300 0.197 0.000 1.143 134 D CA 0.434 54.644 54.000 0.350 0.000 0.871 134 D CB 0.250 41.181 40.800 0.218 0.000 1.190 134 D HN 0.692 nan 8.370 nan 0.000 0.459 135 Y N 2.201 122.471 120.300 -0.050 0.000 2.483 135 Y HA -0.109 4.313 4.550 -0.213 0.000 0.291 135 Y C 1.015 176.740 175.900 -0.291 0.000 1.143 135 Y CA 1.373 59.117 58.100 -0.594 0.000 1.289 135 Y CB 0.225 38.320 38.460 -0.609 0.000 0.983 135 Y HN 0.267 nan 8.280 nan 0.000 0.556 136 K N -0.291 120.052 120.400 -0.094 0.000 2.414 136 K HA 0.121 4.314 4.320 -0.212 0.000 0.204 136 K C -0.654 175.900 176.600 -0.076 0.000 1.026 136 K CA 0.355 56.554 56.287 -0.148 0.000 1.108 136 K CB 0.640 33.108 32.500 -0.053 0.000 0.855 136 K HN 0.014 nan 8.250 nan 0.000 0.517 137 D N 0.013 120.392 120.400 -0.035 0.000 2.474 137 D HA -0.015 4.497 4.640 -0.212 0.000 0.234 137 D C 0.208 176.516 176.300 0.014 0.000 1.323 137 D CA -0.140 53.855 54.000 -0.008 0.000 0.915 137 D CB 0.478 41.291 40.800 0.021 0.000 1.487 137 D HN -0.002 nan 8.370 nan 0.000 0.524 138 S N 0.224 115.918 115.700 -0.010 0.000 2.641 138 S HA -0.091 4.252 4.470 -0.212 0.000 0.239 138 S C 1.345 175.964 174.600 0.031 0.000 0.972 138 S CA 0.778 58.988 58.200 0.016 0.000 0.954 138 S CB -0.118 63.079 63.200 -0.006 0.000 0.767 138 S HN 0.349 nan 8.310 nan 0.000 0.539 139 T N 1.651 116.221 114.554 0.027 0.000 3.031 139 T HA 0.155 4.378 4.350 -0.212 0.000 0.254 139 T C 1.701 176.426 174.700 0.041 0.000 1.060 139 T CA 0.386 62.503 62.100 0.028 0.000 1.135 139 T CB 0.017 68.895 68.868 0.018 0.000 0.896 139 T HN 0.441 nan 8.240 nan 0.000 0.472 140 K N 0.862 121.294 120.400 0.053 0.000 2.001 140 K HA -0.019 4.173 4.320 -0.212 0.000 0.208 140 K C 1.199 177.842 176.600 0.071 0.000 1.048 140 K CA 0.961 57.285 56.287 0.062 0.000 0.932 140 K CB -0.497 32.047 32.500 0.074 0.000 0.715 140 K HN 0.229 nan 8.250 nan 0.000 0.437 141 c N 2.747 121.403 118.600 0.093 0.000 3.943 141 c HA -0.115 4.327 4.570 -0.212 0.000 0.295 141 c C 0.627 174.765 174.090 0.079 0.000 1.465 141 c CA 0.972 57.358 56.329 0.096 0.000 2.038 141 c CB -2.239 40.317 42.510 0.077 0.000 1.299 141 c HN 0.670 nan 8.230 nan 0.000 0.709 142 D N -1.601 118.845 120.400 0.078 0.000 2.556 142 D HA 0.185 4.697 4.640 -0.212 0.000 0.237 142 D C 0.079 176.414 176.300 0.058 0.000 1.296 142 D CA -0.225 53.810 54.000 0.060 0.000 0.807 142 D CB -0.290 40.537 40.800 0.046 0.000 1.084 142 D HN 0.576 nan 8.370 nan 0.000 0.510 143 L N 1.264 122.532 121.223 0.075 0.000 2.380 143 L HA 0.584 4.796 4.340 -0.212 0.000 0.273 143 L C 0.781 177.677 176.870 0.043 0.000 1.138 143 L CA -0.484 54.389 54.840 0.055 0.000 0.832 143 L CB 1.217 43.318 42.059 0.071 0.000 1.124 143 L HN 0.038 nan 8.230 nan 0.000 0.454 144 A N 2.311 125.140 122.820 0.015 0.000 2.284 144 A HA 0.488 4.680 4.320 -0.212 0.000 0.317 144 A C 0.443 178.008 177.584 -0.032 0.000 1.120 144 A CA -0.636 51.410 52.037 0.015 0.000 0.900 144 A CB 0.811 19.825 19.000 0.023 0.000 1.319 144 A HN 0.694 nan 8.150 nan 0.000 0.494 145 L N -0.474 120.724 121.223 -0.041 0.000 2.291 145 L HA -0.051 4.162 4.340 -0.212 0.000 0.214 145 L C 1.526 178.358 176.870 -0.065 0.000 1.120 145 L CA 2.234 56.986 54.840 -0.147 0.000 0.799 145 L CB -0.428 41.512 42.059 -0.198 0.000 0.925 145 L HN 0.861 nan 8.230 nan 0.000 0.446 146 D N -0.887 119.511 120.400 -0.004 0.000 2.128 146 D HA -0.040 4.472 4.640 -0.212 0.000 0.213 146 D C -0.597 175.694 176.300 -0.014 0.000 0.983 146 D CA 0.940 54.947 54.000 0.012 0.000 0.889 146 D CB -0.625 40.192 40.800 0.028 0.000 1.018 146 D HN 0.160 nan 8.370 nan 0.000 0.448 147 P HA -0.037 nan 4.420 nan 0.000 0.199 147 P C 1.023 178.292 177.300 -0.051 0.000 1.169 147 P CA 1.086 64.174 63.100 -0.021 0.000 0.900 147 P CB 0.012 31.707 31.700 -0.009 0.000 0.733 148 E N -0.039 120.128 120.200 -0.055 0.000 2.063 148 E HA -0.230 3.993 4.350 -0.212 0.000 0.221 148 E C 2.010 178.496 176.600 -0.189 0.000 1.052 148 E CA 1.653 57.997 56.400 -0.094 0.000 0.891 148 E CB -1.585 28.077 29.700 -0.063 0.000 0.792 148 E HN 0.198 nan 8.360 nan 0.000 0.482 149 I N 0.647 121.077 120.570 -0.233 0.000 2.151 149 I HA -0.310 3.733 4.170 -0.212 0.000 0.243 149 I C 2.438 178.370 176.117 -0.309 0.000 1.080 149 I CA 1.582 62.659 61.300 -0.373 0.000 1.339 149 I CB -0.384 37.432 38.000 -0.306 0.000 1.039 149 I HN 0.173 nan 8.210 nan 0.000 0.409 150 E N 0.243 120.314 120.200 -0.215 0.000 2.268 150 E HA -0.222 4.001 4.350 -0.212 0.000 0.195 150 E C 1.983 178.518 176.600 -0.109 0.000 0.995 150 E CA 0.728 57.035 56.400 -0.156 0.000 0.836 150 E CB 0.082 29.740 29.700 -0.070 0.000 0.763 150 E HN 0.474 nan 8.360 nan 0.000 0.491 151 E N -0.432 119.701 120.200 -0.113 0.000 2.107 151 E HA -0.122 4.100 4.350 -0.212 0.000 0.191 151 E C 1.992 178.541 176.600 -0.085 0.000 0.982 151 E CA 0.595 56.949 56.400 -0.076 0.000 0.809 151 E CB 0.339 30.001 29.700 -0.064 0.000 0.756 151 E HN 0.033 nan 8.360 nan 0.000 0.459 152 V N 1.525 121.344 119.914 -0.157 0.000 2.270 152 V HA -0.235 3.758 4.120 -0.212 0.000 0.245 152 V C 2.064 178.118 176.094 -0.067 0.000 1.043 152 V CA 1.192 63.406 62.300 -0.144 0.000 1.014 152 V CB -0.306 31.291 31.823 -0.377 0.000 0.645 152 V HN 0.362 nan 8.190 nan 0.000 0.447 153 I N 1.038 121.551 120.570 -0.095 0.000 2.953 153 I HA -0.141 3.902 4.170 -0.212 0.000 0.271 153 I C 2.297 178.407 176.117 -0.012 0.000 1.286 153 I CA 1.961 63.243 61.300 -0.030 0.000 1.449 153 I CB -1.327 36.632 38.000 -0.069 0.000 1.086 153 I HN 0.546 nan 8.210 nan 0.000 0.483 154 S N -0.216 115.474 115.700 -0.016 0.000 2.520 154 S HA 0.123 4.466 4.470 -0.212 0.000 0.219 154 S C 1.599 176.208 174.600 0.015 0.000 1.028 154 S CA -0.210 57.995 58.200 0.007 0.000 0.921 154 S CB 0.405 63.609 63.200 0.007 0.000 0.844 154 S HN 0.386 nan 8.310 nan 0.000 0.495 155 K N 0.756 121.163 120.400 0.012 0.000 2.435 155 K HA 0.320 4.512 4.320 -0.212 0.000 0.199 155 K C 0.442 177.065 176.600 0.038 0.000 1.153 155 K CA 0.047 56.347 56.287 0.020 0.000 0.974 155 K CB 0.645 33.153 32.500 0.014 0.000 0.997 155 K HN 0.234 nan 8.250 nan 0.000 0.547 156 S N 1.131 116.863 115.700 0.052 0.000 2.565 156 S HA 0.149 4.491 4.470 -0.212 0.000 0.276 156 S C 0.468 175.141 174.600 0.122 0.000 1.326 156 S CA -0.368 57.884 58.200 0.087 0.000 1.045 156 S CB 0.450 63.714 63.200 0.106 0.000 0.918 156 S HN 0.126 nan 8.310 nan 0.000 0.505 157 R N 2.847 123.441 120.500 0.156 0.000 2.690 157 R HA 0.243 4.455 4.340 -0.212 0.000 0.419 157 R C -0.820 175.704 176.300 0.375 0.000 1.090 157 R CA -0.268 55.988 56.100 0.261 0.000 1.064 157 R CB -0.123 30.241 30.300 0.108 0.000 1.391 157 R HN 0.611 nan 8.270 nan 0.000 0.586 158 D N 0.791 121.346 120.400 0.258 0.000 2.427 158 D HA 0.026 4.539 4.640 -0.212 0.000 0.226 158 D C 1.143 177.487 176.300 0.074 0.000 1.076 158 D CA -0.324 53.782 54.000 0.175 0.000 0.849 158 D CB 0.820 41.674 40.800 0.091 0.000 1.052 158 D HN 0.352 nan 8.370 nan 0.000 0.515 159 H N 2.371 121.494 119.070 0.088 0.000 2.387 159 H HA -0.074 4.354 4.556 -0.212 0.000 0.299 159 H C 1.166 176.502 175.328 0.014 0.000 1.099 159 H CA 1.496 57.480 56.048 -0.106 0.000 1.315 159 H CB 0.130 29.738 29.762 -0.256 0.000 1.380 159 H HN 0.399 nan 8.280 nan 0.000 0.513 160 E N 0.539 120.300 120.200 -0.731 0.000 2.051 160 E HA -0.211 4.012 4.350 -0.212 0.000 0.192 160 E C 2.258 178.618 176.600 -0.401 0.000 0.991 160 E CA 1.191 57.325 56.400 -0.444 0.000 0.799 160 E CB -0.029 29.449 29.700 -0.370 0.000 0.748 160 E HN 0.769 nan 8.360 nan 0.000 0.449 161 E N 1.050 120.962 120.200 -0.481 0.000 2.072 161 E HA -0.191 4.031 4.350 -0.212 0.000 0.191 161 E C 2.129 178.599 176.600 -0.216 0.000 0.985 161 E CA 0.706 56.653 56.400 -0.755 0.000 0.801 161 E CB -0.018 29.478 29.700 -0.341 0.000 0.750 161 E HN 0.188 nan 8.360 nan 0.000 0.452 162 L N 0.597 121.820 121.223 0.000 0.000 2.046 162 L HA -0.169 4.044 4.340 -0.212 0.000 0.208 162 L C 2.742 179.729 176.870 0.195 0.000 1.077 162 L CA 1.187 56.134 54.840 0.179 0.000 0.747 162 L CB -0.522 41.639 42.059 0.168 0.000 0.896 162 L HN 0.237 nan 8.230 nan 0.000 0.432 163 A N -0.628 122.243 122.820 0.086 0.000 1.902 163 A HA -0.299 3.893 4.320 -0.212 0.000 0.217 163 A C 2.209 179.781 177.584 -0.021 0.000 1.181 163 A CA 1.703 53.662 52.037 -0.129 0.000 0.623 163 A CB -0.976 17.875 19.000 -0.250 0.000 0.818 163 A HN 0.483 nan 8.150 nan 0.000 0.443 164 Y N -0.510 119.648 120.300 -0.236 0.000 2.069 164 Y HA -0.330 4.093 4.550 -0.211 0.000 0.278 164 Y C 2.132 177.911 175.900 -0.201 0.000 1.175 164 Y CA 2.175 60.094 58.100 -0.302 0.000 1.134 164 Y CB -0.805 37.258 38.460 -0.661 0.000 0.965 164 Y HN 0.382 nan 8.280 nan 0.000 0.498 165 Y N -1.779 118.427 120.300 -0.157 0.000 2.352 165 Y HA -0.209 4.213 4.550 -0.213 0.000 0.292 165 Y C 2.270 178.152 175.900 -0.030 0.000 1.136 165 Y CA 1.297 59.290 58.100 -0.179 0.000 1.227 165 Y CB -1.069 37.374 38.460 -0.028 0.000 0.991 165 Y HN 0.417 nan 8.280 nan 0.000 0.545 166 W N 0.671 121.969 121.300 -0.003 0.000 2.408 166 W HA -0.113 4.422 4.660 -0.208 0.000 0.311 166 W C 2.769 179.322 176.519 0.056 0.000 1.190 166 W CA 1.811 59.184 57.345 0.046 0.000 1.321 166 W CB -0.340 29.050 29.460 -0.117 0.000 1.143 166 W HN -0.187 nan 8.180 nan 0.000 0.501 167 R N 0.456 121.198 120.500 0.404 0.000 2.096 167 R HA -0.211 4.001 4.340 -0.212 0.000 0.240 167 R C 2.121 178.429 176.300 0.013 0.000 1.139 167 R CA 2.051 58.306 56.100 0.258 0.000 0.952 167 R CB -0.447 29.940 30.300 0.144 0.000 0.854 167 R HN 0.134 nan 8.270 nan 0.000 0.436 168 E N -0.192 119.927 120.200 -0.136 0.000 2.077 168 E HA -0.211 4.012 4.350 -0.212 0.000 0.193 168 E C 1.741 178.292 176.600 -0.081 0.000 0.989 168 E CA 1.077 57.375 56.400 -0.170 0.000 0.800 168 E CB -0.374 29.098 29.700 -0.380 0.000 0.746 168 E HN 0.327 nan 8.360 nan 0.000 0.452 169 F N 0.449 120.296 119.950 -0.172 0.000 2.146 169 F HA -0.185 4.213 4.527 -0.215 0.000 0.298 169 F C 2.091 177.714 175.800 -0.296 0.000 1.096 169 F CA 1.077 58.946 58.000 -0.218 0.000 1.275 169 F CB -0.379 38.477 39.000 -0.241 0.000 1.008 169 F HN -0.054 nan 8.300 nan 0.000 0.480 170 Y N 0.931 120.923 120.300 -0.513 0.000 2.181 170 Y HA -0.220 4.205 4.550 -0.209 0.000 0.288 170 Y C 2.370 178.036 175.900 -0.389 0.000 1.146 170 Y CA 1.785 59.532 58.100 -0.587 0.000 1.164 170 Y CB -0.837 37.102 38.460 -0.868 0.000 0.982 170 Y HN 0.060 nan 8.280 nan 0.000 0.515 171 D N -0.192 120.129 120.400 -0.132 0.000 2.144 171 D HA -0.141 4.371 4.640 -0.212 0.000 0.199 171 D C 1.861 178.078 176.300 -0.139 0.000 0.984 171 D CA 1.412 55.365 54.000 -0.077 0.000 0.834 171 D CB -0.135 40.649 40.800 -0.027 0.000 0.955 171 D HN 0.365 nan 8.370 nan 0.000 0.465 172 K N 0.275 120.528 120.400 -0.245 0.000 2.067 172 K HA 0.163 4.356 4.320 -0.212 0.000 0.203 172 K C 2.083 178.478 176.600 -0.342 0.000 1.048 172 K CA 0.856 56.993 56.287 -0.250 0.000 0.954 172 K CB 0.076 32.434 32.500 -0.237 0.000 0.737 172 K HN -0.013 nan 8.250 nan 0.000 0.444 173 A N 0.926 123.355 122.820 -0.651 0.000 2.016 173 A HA 0.079 4.271 4.320 -0.212 0.000 0.217 173 A C 1.981 179.338 177.584 -0.379 0.000 1.162 173 A CA 1.480 53.120 52.037 -0.662 0.000 0.662 173 A CB -0.441 17.721 19.000 -1.396 0.000 0.812 173 A HN 0.388 nan 8.150 nan 0.000 0.450 174 G N -1.341 107.229 108.800 -0.384 0.000 2.651 174 G HA2 0.133 3.965 3.960 -0.212 0.000 0.226 174 G HA3 0.133 3.965 3.960 -0.212 0.000 0.226 174 G C 1.403 176.280 174.900 -0.037 0.000 1.542 174 G CA 1.088 46.040 45.100 -0.246 0.000 0.868 174 G HN 0.259 nan 8.290 nan 0.000 0.588 175 T N 2.378 116.939 114.554 0.010 0.000 2.624 175 T HA -0.258 3.965 4.350 -0.212 0.000 0.266 175 T C 2.615 177.371 174.700 0.093 0.000 1.050 175 T CA 2.249 64.417 62.100 0.114 0.000 1.163 175 T CB -0.674 68.243 68.868 0.083 0.000 0.861 175 T HN 0.445 nan 8.240 nan 0.000 0.443 176 A N -0.076 122.758 122.820 0.025 0.000 2.194 176 A HA 0.031 4.224 4.320 -0.212 0.000 0.220 176 A C 1.969 179.586 177.584 0.056 0.000 1.162 176 A CA 1.092 53.144 52.037 0.024 0.000 0.674 176 A CB -0.356 18.635 19.000 -0.015 0.000 0.789 176 A HN 0.416 nan 8.150 nan 0.000 0.470 177 V N -0.943 119.031 119.914 0.100 0.000 2.909 177 V HA 0.200 4.192 4.120 -0.212 0.000 0.362 177 V C 1.461 177.687 176.094 0.220 0.000 1.356 177 V CA -0.070 62.314 62.300 0.139 0.000 1.195 177 V CB -0.402 31.500 31.823 0.132 0.000 1.256 177 V HN 0.639 nan 8.190 nan 0.000 0.567 178 R N -0.360 120.234 120.500 0.157 0.000 2.115 178 R HA -0.097 4.116 4.340 -0.212 0.000 0.230 178 R C 2.162 178.472 176.300 0.017 0.000 1.111 178 R CA 1.984 58.065 56.100 -0.033 0.000 0.976 178 R CB 0.050 30.194 30.300 -0.261 0.000 0.870 178 R HN 0.588 nan 8.270 nan 0.000 0.445 179 S N 0.696 116.417 115.700 0.036 0.000 2.343 179 S HA -0.173 4.169 4.470 -0.212 0.000 0.219 179 S C 1.753 176.404 174.600 0.085 0.000 1.033 179 S CA 1.334 59.552 58.200 0.030 0.000 1.014 179 S CB -0.247 62.963 63.200 0.017 0.000 0.915 179 S HN 0.314 nan 8.310 nan 0.000 0.435 180 Q N 0.685 120.554 119.800 0.116 0.000 2.014 180 Q HA -0.062 4.151 4.340 -0.212 0.000 0.207 180 Q C 1.841 177.964 176.000 0.205 0.000 0.993 180 Q CA 1.579 57.456 55.803 0.123 0.000 0.850 180 Q CB -0.812 27.993 28.738 0.113 0.000 0.916 180 Q HN 0.528 nan 8.270 nan 0.000 0.417 181 F N 1.317 121.370 119.950 0.172 0.000 2.120 181 F HA -0.268 4.130 4.527 -0.215 0.000 0.300 181 F C 2.174 178.210 175.800 0.394 0.000 1.095 181 F CA 1.909 60.106 58.000 0.328 0.000 1.249 181 F CB -0.072 39.195 39.000 0.444 0.000 0.995 181 F HN 0.187 nan 8.300 nan 0.000 0.480 182 E N -0.345 120.059 120.200 0.340 0.000 2.047 182 E HA -0.276 3.947 4.350 -0.212 0.000 0.191 182 E C 2.351 179.017 176.600 0.110 0.000 0.987 182 E CA 1.000 57.555 56.400 0.258 0.000 0.799 182 E CB -0.151 29.561 29.700 0.019 0.000 0.752 182 E HN 0.178 nan 8.360 nan 0.000 0.449 183 R N -0.139 120.401 120.500 0.068 0.000 2.120 183 R HA -0.187 4.025 4.340 -0.212 0.000 0.234 183 R C 2.170 178.476 176.300 0.010 0.000 1.123 183 R CA 1.480 57.593 56.100 0.022 0.000 0.975 183 R CB -0.737 29.572 30.300 0.015 0.000 0.866 183 R HN 0.314 nan 8.270 nan 0.000 0.446 184 Y N -0.287 119.939 120.300 -0.123 0.000 2.089 184 Y HA -0.148 4.278 4.550 -0.207 0.000 0.282 184 Y C 1.851 177.630 175.900 -0.201 0.000 1.139 184 Y CA 1.775 59.755 58.100 -0.200 0.000 1.123 184 Y CB -0.756 37.564 38.460 -0.234 0.000 0.980 184 Y HN -0.123 nan 8.280 nan 0.000 0.493 185 V N 1.447 121.076 119.914 -0.476 0.000 2.324 185 V HA -0.350 3.643 4.120 -0.212 0.000 0.250 185 V C 2.234 178.179 176.094 -0.249 0.000 1.060 185 V CA 2.493 64.532 62.300 -0.436 0.000 1.042 185 V CB -0.714 31.032 31.823 -0.128 0.000 0.650 185 V HN 0.519 nan 8.190 nan 0.000 0.450 186 E N -0.335 119.795 120.200 -0.116 0.000 2.150 186 E HA -0.154 4.068 4.350 -0.212 0.000 0.193 186 E C 2.193 178.715 176.600 -0.130 0.000 0.985 186 E CA 1.087 57.438 56.400 -0.080 0.000 0.814 186 E CB -0.125 29.553 29.700 -0.037 0.000 0.752 186 E HN 0.519 nan 8.360 nan 0.000 0.466 187 L N 1.170 122.290 121.223 -0.172 0.000 2.127 187 L HA -0.090 4.123 4.340 -0.212 0.000 0.203 187 L C 2.534 179.256 176.870 -0.247 0.000 1.080 187 L CA 0.542 55.277 54.840 -0.176 0.000 0.768 187 L CB -0.508 41.447 42.059 -0.173 0.000 0.924 187 L HN 0.214 nan 8.230 nan 0.000 0.444 188 N N 0.262 118.714 118.700 -0.412 0.000 2.094 188 N HA -0.197 4.415 4.740 -0.212 0.000 0.191 188 N C 1.570 176.838 175.510 -0.403 0.000 1.023 188 N CA 2.246 55.011 53.050 -0.476 0.000 0.857 188 N CB 0.027 37.935 38.487 -0.966 0.000 1.013 188 N HN 0.229 nan 8.380 nan 0.000 0.426 189 T N 0.858 115.186 114.554 -0.378 0.000 2.777 189 T HA -0.091 4.132 4.350 -0.212 0.000 0.266 189 T C 1.892 176.511 174.700 -0.134 0.000 1.040 189 T CA 1.094 63.041 62.100 -0.255 0.000 1.141 189 T CB -0.054 68.721 68.868 -0.156 0.000 0.868 189 T HN 0.368 nan 8.240 nan 0.000 0.444 190 K N 1.232 121.569 120.400 -0.105 0.000 2.026 190 K HA -0.028 4.165 4.320 -0.212 0.000 0.208 190 K C 2.476 179.067 176.600 -0.016 0.000 1.048 190 K CA 1.279 57.536 56.287 -0.050 0.000 0.929 190 K CB -0.338 32.136 32.500 -0.043 0.000 0.713 190 K HN 0.265 nan 8.250 nan 0.000 0.439 191 A N 0.755 123.580 122.820 0.007 0.000 2.019 191 A HA -0.077 4.115 4.320 -0.212 0.000 0.219 191 A C 2.211 179.841 177.584 0.076 0.000 1.164 191 A CA 1.723 53.814 52.037 0.091 0.000 0.644 191 A CB -0.624 18.532 19.000 0.259 0.000 0.805 191 A HN 0.506 nan 8.150 nan 0.000 0.449 192 A N 0.221 123.051 122.820 0.017 0.000 1.855 192 A HA -0.119 4.074 4.320 -0.212 0.000 0.215 192 A C 2.063 179.708 177.584 0.103 0.000 1.191 192 A CA 1.618 53.695 52.037 0.067 0.000 0.613 192 A CB -0.402 18.558 19.000 -0.067 0.000 0.829 192 A HN 0.513 nan 8.150 nan 0.000 0.442 193 K N -0.691 119.724 120.400 0.026 0.000 2.283 193 K HA -0.011 4.181 4.320 -0.212 0.000 0.202 193 K C 1.330 177.921 176.600 -0.016 0.000 1.048 193 K CA 0.772 57.061 56.287 0.002 0.000 0.948 193 K CB -0.228 32.266 32.500 -0.010 0.000 0.742 193 K HN 0.271 nan 8.250 nan 0.000 0.458 194 L N 1.225 122.449 121.223 0.001 0.000 2.376 194 L HA -0.064 4.149 4.340 -0.212 0.000 0.219 194 L C 1.061 177.914 176.870 -0.028 0.000 1.133 194 L CA 1.342 56.178 54.840 -0.007 0.000 0.816 194 L CB -0.232 41.836 42.059 0.016 0.000 0.933 194 L HN 0.178 nan 8.230 nan 0.000 0.449 195 N N -0.180 118.498 118.700 -0.037 0.000 2.214 195 N HA 0.056 4.668 4.740 -0.212 0.000 0.214 195 N C -0.100 175.175 175.510 -0.392 0.000 1.132 195 N CA 0.034 53.007 53.050 -0.128 0.000 0.856 195 N CB 0.378 38.871 38.487 0.011 0.000 1.020 195 N HN 0.187 nan 8.380 nan 0.000 0.509 196 N N -0.001 118.534 118.700 -0.276 0.000 2.901 196 N HA -0.161 4.452 4.740 -0.212 0.000 0.248 196 N C -1.010 174.283 175.510 -0.362 0.000 1.044 196 N CA 0.636 53.503 53.050 -0.305 0.000 0.847 196 N CB -1.522 36.777 38.487 -0.312 0.000 1.127 196 N HN 0.147 nan 8.380 nan 0.000 0.562 197 F N 0.460 120.386 119.950 -0.040 0.000 2.397 197 F HA 0.305 4.704 4.527 -0.213 0.000 0.331 197 F C 2.261 178.025 175.800 -0.060 0.000 1.090 197 F CA -0.380 57.588 58.000 -0.053 0.000 1.065 197 F CB 0.729 39.682 39.000 -0.078 0.000 1.184 197 F HN -0.223 nan 8.300 nan 0.000 0.499 198 T N -0.054 114.593 114.554 0.154 0.000 2.833 198 T HA -0.031 4.192 4.350 -0.212 0.000 0.269 198 T C 0.337 175.054 174.700 0.028 0.000 1.054 198 T CA 1.535 63.671 62.100 0.060 0.000 1.135 198 T CB -0.315 68.577 68.868 0.040 0.000 0.869 198 T HN 0.657 nan 8.240 nan 0.000 0.466 199 S N -1.840 113.869 115.700 0.013 0.000 2.688 199 S HA 0.467 4.809 4.470 -0.212 0.000 0.269 199 S C 1.005 175.487 174.600 -0.197 0.000 1.060 199 S CA -0.319 57.837 58.200 -0.074 0.000 0.844 199 S CB 0.785 63.963 63.200 -0.037 0.000 1.095 199 S HN 0.112 nan 8.310 nan 0.000 0.466 200 G N 0.765 109.301 108.800 -0.441 0.000 2.485 200 G HA2 0.024 3.856 3.960 -0.212 0.000 0.221 200 G HA3 0.024 3.856 3.960 -0.212 0.000 0.221 200 G C 1.459 176.040 174.900 -0.531 0.000 1.115 200 G CA 1.410 46.033 45.100 -0.794 0.000 0.751 200 G HN 1.480 nan 8.290 nan 0.000 0.567 201 A N 1.077 123.830 122.820 -0.111 0.000 1.865 201 A HA -0.061 4.131 4.320 -0.212 0.000 0.217 201 A C 2.218 179.652 177.584 -0.248 0.000 1.191 201 A CA 1.957 53.983 52.037 -0.019 0.000 0.623 201 A CB -0.255 18.716 19.000 -0.047 0.000 0.826 201 A HN 0.337 nan 8.150 nan 0.000 0.444 202 E N 0.112 120.180 120.200 -0.220 0.000 2.358 202 E HA 0.092 4.315 4.350 -0.212 0.000 0.195 202 E C 2.062 178.460 176.600 -0.336 0.000 1.010 202 E CA 0.861 57.147 56.400 -0.191 0.000 0.856 202 E CB -0.654 29.018 29.700 -0.045 0.000 0.795 202 E HN 0.584 nan 8.360 nan 0.000 0.504 203 A N 1.323 123.809 122.820 -0.557 0.000 1.858 203 A HA -0.151 4.042 4.320 -0.212 0.000 0.216 203 A C 1.886 179.167 177.584 -0.504 0.000 1.190 203 A CA 0.981 52.357 52.037 -1.101 0.000 0.617 203 A CB -0.851 17.628 19.000 -0.869 0.000 0.827 203 A HN 0.227 nan 8.150 nan 0.000 0.443 204 W N 0.145 121.290 121.300 -0.259 0.000 2.358 204 W HA -0.050 4.480 4.660 -0.218 0.000 0.303 204 W C 2.092 178.588 176.519 -0.039 0.000 1.208 204 W CA 0.762 58.068 57.345 -0.066 0.000 1.274 204 W CB -1.219 28.374 29.460 0.222 0.000 1.138 204 W HN 0.268 nan 8.180 nan 0.000 0.515 205 L N -0.060 121.290 121.223 0.212 0.000 2.187 205 L HA -0.232 3.981 4.340 -0.212 0.000 0.213 205 L C 2.030 178.949 176.870 0.081 0.000 1.100 205 L CA 1.678 56.639 54.840 0.203 0.000 0.765 205 L CB -0.911 41.176 42.059 0.046 0.000 0.904 205 L HN -0.091 nan 8.230 nan 0.000 0.437 206 D N 0.086 120.460 120.400 -0.045 0.000 2.221 206 D HA -0.213 4.299 4.640 -0.212 0.000 0.204 206 D C 2.010 178.275 176.300 -0.058 0.000 0.982 206 D CA 0.875 54.867 54.000 -0.013 0.000 0.857 206 D CB 0.163 40.949 40.800 -0.024 0.000 0.934 206 D HN 0.167 nan 8.370 nan 0.000 0.475 207 E N -0.712 119.384 120.200 -0.174 0.000 2.265 207 E HA -0.177 4.046 4.350 -0.212 0.000 0.196 207 E C 1.259 177.559 176.600 -0.500 0.000 0.996 207 E CA 0.715 56.903 56.400 -0.353 0.000 0.832 207 E CB -0.282 29.110 29.700 -0.513 0.000 0.756 207 E HN 0.602 nan 8.360 nan 0.000 0.491 208 Y N 0.691 120.868 120.300 -0.205 0.000 2.482 208 Y HA 0.094 4.517 4.550 -0.212 0.000 0.270 208 Y C 0.175 176.095 175.900 0.034 0.000 1.152 208 Y CA -0.047 57.846 58.100 -0.344 0.000 1.292 208 Y CB -0.034 37.645 38.460 -1.301 0.000 1.070 208 Y HN -0.030 nan 8.280 nan 0.000 0.528 209 E N 1.536 121.799 120.200 0.106 0.000 2.197 209 E HA -0.263 3.960 4.350 -0.212 0.000 0.184 209 E C -0.929 175.771 176.600 0.167 0.000 1.439 209 E CA 0.773 57.243 56.400 0.118 0.000 0.688 209 E CB -1.163 28.580 29.700 0.071 0.000 1.090 209 E HN 0.283 nan 8.360 nan 0.000 0.341 210 D N 0.260 120.786 120.400 0.210 0.000 2.369 210 D HA 0.073 4.586 4.640 -0.212 0.000 0.212 210 D C -0.005 176.448 176.300 0.256 0.000 1.326 210 D CA -0.584 53.572 54.000 0.259 0.000 0.933 210 D CB 0.876 41.947 40.800 0.452 0.000 1.516 210 D HN -0.075 nan 8.370 nan 0.000 0.557 211 D N 1.489 121.997 120.400 0.180 0.000 2.389 211 D HA -0.082 4.430 4.640 -0.212 0.000 0.221 211 D C 1.273 177.673 176.300 0.167 0.000 0.974 211 D CA 1.120 55.212 54.000 0.153 0.000 0.923 211 D CB 0.236 41.102 40.800 0.110 0.000 0.892 211 D HN 0.486 nan 8.370 nan 0.000 0.518 212 T N -3.347 111.334 114.554 0.212 0.000 3.296 212 T HA 0.119 4.341 4.350 -0.212 0.000 0.285 212 T C 1.131 175.979 174.700 0.247 0.000 1.014 212 T CA -0.631 61.584 62.100 0.192 0.000 0.920 212 T CB -0.581 68.376 68.868 0.149 0.000 1.143 212 T HN -0.154 nan 8.240 nan 0.000 0.522 213 F N 2.286 122.320 119.950 0.141 0.000 2.186 213 F HA 0.150 4.550 4.527 -0.212 0.000 0.299 213 F C 2.204 178.066 175.800 0.104 0.000 1.090 213 F CA 1.389 59.468 58.000 0.132 0.000 1.307 213 F CB 0.094 39.177 39.000 0.139 0.000 1.019 213 F HN 0.323 nan 8.300 nan 0.000 0.489 214 E N -0.509 119.845 120.200 0.258 0.000 2.150 214 E HA -0.289 3.933 4.350 -0.212 0.000 0.193 214 E C 2.088 178.809 176.600 0.201 0.000 0.985 214 E CA 1.108 57.657 56.400 0.248 0.000 0.814 214 E CB -0.086 29.731 29.700 0.195 0.000 0.752 214 E HN 0.362 nan 8.360 nan 0.000 0.466 215 Q N 0.599 120.485 119.800 0.143 0.000 2.137 215 Q HA -0.119 4.093 4.340 -0.212 0.000 0.198 215 Q C 1.871 177.921 176.000 0.083 0.000 0.960 215 Q CA 1.501 57.380 55.803 0.126 0.000 0.847 215 Q CB 0.048 28.851 28.738 0.109 0.000 0.915 215 Q HN 0.317 nan 8.270 nan 0.000 0.448 216 Q N -0.408 119.400 119.800 0.014 0.000 2.084 216 Q HA -0.102 4.110 4.340 -0.212 0.000 0.202 216 Q C 1.939 177.871 176.000 -0.113 0.000 0.978 216 Q CA 1.406 57.175 55.803 -0.057 0.000 0.844 216 Q CB -0.082 28.575 28.738 -0.134 0.000 0.898 216 Q HN 0.385 nan 8.270 nan 0.000 0.426 217 L N 0.216 121.321 121.223 -0.197 0.000 2.376 217 L HA -0.136 4.076 4.340 -0.212 0.000 0.219 217 L C 2.134 179.058 176.870 0.091 0.000 1.133 217 L CA 0.562 55.262 54.840 -0.234 0.000 0.816 217 L CB -0.034 41.763 42.059 -0.436 0.000 0.933 217 L HN 0.205 nan 8.230 nan 0.000 0.449 218 E N 0.172 120.536 120.200 0.273 0.000 2.122 218 E HA -0.158 4.065 4.350 -0.212 0.000 0.190 218 E C 1.649 178.434 176.600 0.307 0.000 0.977 218 E CA 0.919 57.571 56.400 0.421 0.000 0.820 218 E CB 0.167 30.052 29.700 0.308 0.000 0.770 218 E HN 0.319 nan 8.360 nan 0.000 0.462 219 D N 0.187 120.689 120.400 0.170 0.000 2.117 219 D HA -0.112 4.401 4.640 -0.212 0.000 0.198 219 D C 2.002 178.355 176.300 0.089 0.000 0.982 219 D CA 0.967 55.035 54.000 0.113 0.000 0.828 219 D CB -0.096 40.746 40.800 0.071 0.000 0.967 219 D HN 0.314 nan 8.370 nan 0.000 0.464 220 I N 0.378 120.989 120.570 0.069 0.000 2.252 220 I HA -0.222 3.820 4.170 -0.212 0.000 0.245 220 I C 2.358 178.516 176.117 0.069 0.000 1.102 220 I CA 0.646 61.967 61.300 0.034 0.000 1.385 220 I CB -0.317 37.671 38.000 -0.020 0.000 1.064 220 I HN -0.111 nan 8.210 nan 0.000 0.414 221 F N 2.390 122.367 119.950 0.044 0.000 2.134 221 F HA -0.216 4.184 4.527 -0.211 0.000 0.299 221 F C 2.500 178.368 175.800 0.113 0.000 1.097 221 F CA 1.335 59.399 58.000 0.106 0.000 1.264 221 F CB -0.422 38.751 39.000 0.288 0.000 1.001 221 F HN -0.005 nan 8.300 nan 0.000 0.479 222 A N 0.149 122.962 122.820 -0.012 0.000 1.940 222 A HA -0.227 3.965 4.320 -0.212 0.000 0.219 222 A C 1.958 179.440 177.584 -0.170 0.000 1.176 222 A CA 2.123 54.088 52.037 -0.121 0.000 0.631 222 A CB -1.042 17.986 19.000 0.047 0.000 0.814 222 A HN 0.487 nan 8.150 nan 0.000 0.446 223 D N -0.711 119.632 120.400 -0.096 0.000 2.183 223 D HA -0.039 4.474 4.640 -0.212 0.000 0.203 223 D C 1.412 177.654 176.300 -0.097 0.000 0.969 223 D CA 0.957 54.914 54.000 -0.072 0.000 0.842 223 D CB -0.127 40.657 40.800 -0.028 0.000 0.957 223 D HN 0.423 nan 8.370 nan 0.000 0.484 224 I N 0.087 120.570 120.570 -0.146 0.000 3.645 224 I HA 0.056 4.098 4.170 -0.212 0.000 0.300 224 I C 2.185 178.207 176.117 -0.158 0.000 1.260 224 I CA 0.047 61.276 61.300 -0.119 0.000 1.365 224 I CB -0.080 37.872 38.000 -0.081 0.000 1.077 224 I HN -0.177 nan 8.210 nan 0.000 0.439 225 R N 1.544 121.819 120.500 -0.376 0.000 2.112 225 R HA -0.205 4.007 4.340 -0.212 0.000 0.242 225 R C -0.540 175.716 176.300 -0.073 0.000 1.137 225 R CA 2.195 58.072 56.100 -0.372 0.000 0.944 225 R CB -1.313 28.607 30.300 -0.634 0.000 0.857 225 R HN 0.188 nan 8.270 nan 0.000 0.435 226 P HA -0.188 nan 4.420 nan 0.000 0.216 226 P C 1.355 178.663 177.300 0.012 0.000 1.150 226 P CA 1.146 64.226 63.100 -0.035 0.000 0.843 226 P CB -0.104 31.569 31.700 -0.044 0.000 0.787 227 L N -1.969 119.264 121.223 0.017 0.000 2.056 227 L HA -0.207 4.006 4.340 -0.212 0.000 0.207 227 L C 2.438 179.368 176.870 0.100 0.000 1.078 227 L CA 1.612 56.480 54.840 0.046 0.000 0.749 227 L CB -0.755 41.313 42.059 0.015 0.000 0.901 227 L HN -0.024 nan 8.230 nan 0.000 0.433 228 Y N 1.116 121.419 120.300 0.004 0.000 2.207 228 Y HA -0.319 4.104 4.550 -0.212 0.000 0.287 228 Y C 2.493 178.523 175.900 0.216 0.000 1.156 228 Y CA 1.890 60.038 58.100 0.080 0.000 1.182 228 Y CB -0.384 38.140 38.460 0.107 0.000 0.979 228 Y HN 0.337 nan 8.280 nan 0.000 0.521 229 Q N -0.823 118.956 119.800 -0.034 0.000 2.435 229 Q HA -0.113 4.099 4.340 -0.212 0.000 0.207 229 Q C 1.728 177.782 176.000 0.091 0.000 0.956 229 Q CA 0.576 56.367 55.803 -0.020 0.000 0.917 229 Q CB 0.089 28.839 28.738 0.020 0.000 0.997 229 Q HN 0.477 nan 8.270 nan 0.000 0.497 230 Q N -0.255 119.602 119.800 0.096 0.000 2.432 230 Q HA 0.070 4.282 4.340 -0.212 0.000 0.205 230 Q C 1.518 177.666 176.000 0.247 0.000 0.945 230 Q CA 0.692 56.579 55.803 0.139 0.000 0.924 230 Q CB 0.545 29.343 28.738 0.101 0.000 1.016 230 Q HN 0.479 nan 8.270 nan 0.000 0.503 231 I N -1.002 119.722 120.570 0.256 0.000 2.947 231 I HA -0.117 3.925 4.170 -0.212 0.000 0.263 231 I C 2.384 178.783 176.117 0.470 0.000 1.130 231 I CA 0.187 61.735 61.300 0.413 0.000 1.448 231 I CB -0.222 37.933 38.000 0.258 0.000 1.222 231 I HN 0.202 nan 8.210 nan 0.000 0.453 232 H N 1.762 120.922 119.070 0.151 0.000 2.253 232 H HA -0.169 4.259 4.556 -0.213 0.000 0.296 232 H C 2.114 177.582 175.328 0.233 0.000 1.074 232 H CA 2.398 58.553 56.048 0.178 0.000 1.263 232 H CB -0.492 29.203 29.762 -0.110 0.000 1.363 232 H HN 0.292 nan 8.280 nan 0.000 0.489 233 G N -0.649 108.463 108.800 0.520 0.000 2.469 233 G HA2 -0.345 3.488 3.960 -0.212 0.000 0.220 233 G HA3 -0.345 3.488 3.960 -0.212 0.000 0.220 233 G C 1.845 176.947 174.900 0.336 0.000 1.136 233 G CA 1.027 46.384 45.100 0.429 0.000 0.759 233 G HN 0.598 nan 8.290 nan 0.000 0.562 234 Y N 0.855 121.308 120.300 0.256 0.000 2.163 234 Y HA -0.077 4.345 4.550 -0.213 0.000 0.288 234 Y C 2.831 178.917 175.900 0.310 0.000 1.136 234 Y CA 1.542 59.810 58.100 0.280 0.000 1.147 234 Y CB -0.122 38.502 38.460 0.275 0.000 0.987 234 Y HN 0.034 nan 8.280 nan 0.000 0.509 235 V N 1.064 121.175 119.914 0.327 0.000 2.594 235 V HA -0.269 3.724 4.120 -0.212 0.000 0.253 235 V C 2.374 178.429 176.094 -0.065 0.000 1.069 235 V CA 2.195 64.593 62.300 0.164 0.000 1.082 235 V CB -0.672 31.286 31.823 0.226 0.000 0.680 235 V HN 0.375 nan 8.190 nan 0.000 0.469 236 R N -0.943 119.527 120.500 -0.050 0.000 2.200 236 R HA -0.078 4.135 4.340 -0.212 0.000 0.208 236 R C 2.092 178.389 176.300 -0.005 0.000 1.033 236 R CA 0.879 56.936 56.100 -0.073 0.000 1.000 236 R CB -0.158 30.137 30.300 -0.009 0.000 0.906 236 R HN 0.488 nan 8.270 nan 0.000 0.462 237 F N 1.185 121.058 119.950 -0.128 0.000 2.367 237 F HA 0.040 4.439 4.527 -0.212 0.000 0.298 237 F C 1.715 177.403 175.800 -0.186 0.000 1.094 237 F CA 0.961 58.871 58.000 -0.151 0.000 1.409 237 F CB 0.190 39.074 39.000 -0.194 0.000 1.064 237 F HN -0.104 nan 8.300 nan 0.000 0.528 238 R N 0.260 120.483 120.500 -0.462 0.000 2.090 238 R HA 0.097 4.309 4.340 -0.212 0.000 0.219 238 R C 2.321 178.477 176.300 -0.240 0.000 1.100 238 R CA 0.931 56.762 56.100 -0.449 0.000 0.991 238 R CB -1.117 29.003 30.300 -0.301 0.000 0.893 238 R HN 0.359 nan 8.270 nan 0.000 0.443 239 L N 0.781 121.919 121.223 -0.143 0.000 2.012 239 L HA -0.109 4.104 4.340 -0.212 0.000 0.210 239 L C 2.876 179.754 176.870 0.014 0.000 1.073 239 L CA 1.514 56.354 54.840 0.001 0.000 0.748 239 L CB -0.434 41.603 42.059 -0.037 0.000 0.891 239 L HN 0.136 nan 8.230 nan 0.000 0.431 240 R N 0.395 120.840 120.500 -0.092 0.000 2.189 240 R HA -0.174 4.038 4.340 -0.212 0.000 0.223 240 R C 2.248 178.462 176.300 -0.145 0.000 1.092 240 R CA 1.239 57.280 56.100 -0.097 0.000 0.989 240 R CB 0.035 30.277 30.300 -0.096 0.000 0.876 240 R HN 0.251 nan 8.270 nan 0.000 0.457 241 K N -1.039 119.218 120.400 -0.239 0.000 2.137 241 K HA -0.153 4.040 4.320 -0.212 0.000 0.202 241 K C 1.838 178.322 176.600 -0.193 0.000 1.052 241 K CA 1.289 57.410 56.287 -0.276 0.000 0.961 241 K CB -0.057 32.157 32.500 -0.476 0.000 0.741 241 K HN 0.235 nan 8.250 nan 0.000 0.452 242 H N -1.064 117.865 119.070 -0.236 0.000 2.276 242 H HA -0.064 4.365 4.556 -0.212 0.000 0.307 242 H C 1.519 176.684 175.328 -0.271 0.000 1.061 242 H CA 1.999 57.888 56.048 -0.265 0.000 1.336 242 H CB -0.094 29.469 29.762 -0.332 0.000 1.396 242 H HN 0.129 nan 8.280 nan 0.000 0.503 243 Y N -0.046 120.196 120.300 -0.097 0.000 2.337 243 Y HA 0.200 4.622 4.550 -0.212 0.000 0.293 243 Y C 1.280 177.063 175.900 -0.195 0.000 1.123 243 Y CA 1.115 59.132 58.100 -0.138 0.000 1.201 243 Y CB 0.160 38.565 38.460 -0.092 0.000 1.011 243 Y HN 0.541 nan 8.280 nan 0.000 0.545 244 G N -0.419 108.357 108.800 -0.039 0.000 2.525 244 G HA2 -0.169 3.664 3.960 -0.212 0.000 0.685 244 G HA3 -0.169 3.664 3.960 -0.212 0.000 0.685 244 G C -0.433 174.415 174.900 -0.088 0.000 1.285 244 G CA -0.370 44.679 45.100 -0.085 0.000 0.849 244 G HN 0.015 nan 8.290 nan 0.000 0.653 245 D N 0.471 120.821 120.400 -0.084 0.000 2.126 245 D HA -0.136 4.377 4.640 -0.212 0.000 0.190 245 D C 2.833 179.080 176.300 -0.088 0.000 1.001 245 D CA 2.743 56.697 54.000 -0.077 0.000 0.841 245 D CB -0.412 40.351 40.800 -0.062 0.000 0.949 245 D HN 1.025 nan 8.370 nan 0.000 0.446 246 A N 0.169 122.932 122.820 -0.094 0.000 1.978 246 A HA -0.141 4.052 4.320 -0.212 0.000 0.220 246 A C 2.470 179.967 177.584 -0.144 0.000 1.170 246 A CA 1.456 53.431 52.037 -0.104 0.000 0.636 246 A CB -0.484 18.460 19.000 -0.093 0.000 0.810 246 A HN 0.182 nan 8.150 nan 0.000 0.448 247 V N -1.109 118.691 119.914 -0.190 0.000 2.300 247 V HA -0.013 3.979 4.120 -0.212 0.000 0.241 247 V C 0.872 176.847 176.094 -0.198 0.000 1.034 247 V CA 1.061 63.201 62.300 -0.266 0.000 1.021 247 V CB -0.329 31.260 31.823 -0.390 0.000 0.662 247 V HN 0.205 nan 8.190 nan 0.000 0.458 248 V N 1.907 121.728 119.914 -0.154 0.000 2.370 248 V HA 0.481 4.474 4.120 -0.212 0.000 0.283 248 V C 0.111 176.146 176.094 -0.098 0.000 1.023 248 V CA -0.294 61.927 62.300 -0.133 0.000 0.857 248 V CB 1.408 33.160 31.823 -0.118 0.000 0.985 248 V HN 0.548 nan 8.190 nan 0.000 0.443 249 S N 3.459 119.107 115.700 -0.087 0.000 2.672 249 S HA 0.646 4.989 4.470 -0.212 0.000 0.276 249 S C -0.379 174.192 174.600 -0.048 0.000 1.207 249 S CA -0.629 57.531 58.200 -0.067 0.000 1.002 249 S CB 1.927 65.089 63.200 -0.064 0.000 0.998 249 S HN 0.697 nan 8.310 nan 0.000 0.542 250 E N 0.309 120.476 120.200 -0.055 0.000 2.313 250 E HA 0.385 4.608 4.350 -0.212 0.000 0.272 250 E C 0.958 177.460 176.600 -0.163 0.000 1.038 250 E CA 0.834 57.193 56.400 -0.068 0.000 0.863 250 E CB 0.624 30.283 29.700 -0.068 0.000 1.060 250 E HN 1.250 nan 8.360 nan 0.000 0.402 251 T N -0.367 114.046 114.554 -0.236 0.000 8.985 251 T HA -0.209 4.014 4.350 -0.212 0.000 0.339 251 T C 0.673 175.423 174.700 0.084 0.000 1.929 251 T CA 1.195 63.113 62.100 -0.303 0.000 2.929 251 T CB -2.190 66.325 68.868 -0.589 0.000 2.454 251 T HN 0.792 nan 8.240 nan 0.000 1.140 252 G N 1.937 110.779 108.800 0.069 0.000 2.451 252 G HA2 0.636 4.468 3.960 -0.212 0.000 0.303 252 G HA3 0.636 4.468 3.960 -0.212 0.000 0.303 252 G C -2.770 172.212 174.900 0.138 0.000 1.166 252 G CA -1.557 43.603 45.100 0.100 0.000 0.884 252 G HN 0.414 nan 8.290 nan 0.000 0.514 253 P HA 0.137 nan 4.420 nan 0.000 0.271 253 P C 0.060 177.298 177.300 -0.104 0.000 1.218 253 P CA -0.184 62.886 63.100 -0.050 0.000 0.780 253 P CB 0.739 32.383 31.700 -0.094 0.000 0.901 254 I N 4.440 124.907 120.570 -0.172 0.000 2.587 254 I HA 0.037 4.079 4.170 -0.212 0.000 0.284 254 I C -1.865 174.109 176.117 -0.238 0.000 1.134 254 I CA -1.702 59.446 61.300 -0.254 0.000 1.410 254 I CB 0.069 37.806 38.000 -0.440 0.000 1.392 254 I HN 0.141 nan 8.210 nan 0.000 0.545 255 P HA -0.008 nan 4.420 nan 0.000 0.264 255 P C 0.045 177.253 177.300 -0.153 0.000 1.236 255 P CA -0.046 62.943 63.100 -0.184 0.000 0.811 255 P CB 0.238 31.869 31.700 -0.116 0.000 0.840 256 M N 3.775 123.280 119.600 -0.158 0.000 2.245 256 M HA 0.115 4.467 4.480 -0.212 0.000 0.312 256 M C 0.951 177.269 176.300 0.029 0.000 1.070 256 M CA 0.805 56.046 55.300 -0.098 0.000 1.162 256 M CB 0.019 32.624 32.600 0.010 0.000 1.448 256 M HN 0.688 nan 8.290 nan 0.000 0.446 257 H N 0.614 119.579 119.070 -0.174 0.000 3.817 257 H HA -0.121 4.308 4.556 -0.213 0.000 0.148 257 H C -0.482 174.745 175.328 -0.168 0.000 0.766 257 H CA 1.310 57.279 56.048 -0.132 0.000 1.241 257 H CB -1.780 27.843 29.762 -0.232 0.000 0.797 257 H HN 0.786 nan 8.280 nan 0.000 0.513 258 L N 1.241 122.122 121.223 -0.570 0.000 2.817 258 L HA 0.333 4.545 4.340 -0.212 0.000 0.248 258 L C 2.079 178.771 176.870 -0.296 0.000 1.133 258 L CA 0.161 54.659 54.840 -0.570 0.000 0.935 258 L CB 0.427 42.050 42.059 -0.726 0.000 1.266 258 L HN 0.058 nan 8.230 nan 0.000 0.535 259 L N 0.095 121.146 121.223 -0.286 0.000 2.612 259 L HA 0.222 4.435 4.340 -0.212 0.000 0.230 259 L C 1.586 178.425 176.870 -0.053 0.000 1.140 259 L CA 0.565 55.227 54.840 -0.296 0.000 0.896 259 L CB -0.255 41.482 42.059 -0.535 0.000 1.065 259 L HN 0.435 nan 8.230 nan 0.000 0.447 260 G N 0.600 109.385 108.800 -0.025 0.000 2.189 260 G HA2 -0.346 3.487 3.960 -0.212 0.000 0.267 260 G HA3 -0.346 3.487 3.960 -0.212 0.000 0.267 260 G C 0.240 175.177 174.900 0.062 0.000 0.975 260 G CA 0.415 45.536 45.100 0.035 0.000 0.644 260 G HN 0.487 nan 8.290 nan 0.000 0.537 261 N N -0.472 118.279 118.700 0.086 0.000 2.352 261 N HA 0.404 5.017 4.740 -0.212 0.000 0.291 261 N C 1.276 176.782 175.510 -0.007 0.000 1.040 261 N CA -0.238 52.865 53.050 0.089 0.000 0.864 261 N CB 1.269 39.894 38.487 0.230 0.000 1.440 261 N HN -0.026 nan 8.380 nan 0.000 0.483 262 M N 3.422 122.824 119.600 -0.329 0.000 2.146 262 M HA -0.098 4.255 4.480 -0.212 0.000 0.256 262 M C 0.625 176.677 176.300 -0.413 0.000 1.075 262 M CA 1.948 56.876 55.300 -0.620 0.000 1.082 262 M CB -0.140 31.533 32.600 -1.544 0.000 1.355 262 M HN 0.638 nan 8.290 nan 0.000 0.402 263 W N -1.145 120.355 121.300 0.333 0.000 3.127 263 W HA 0.574 5.107 4.660 -0.212 0.000 0.344 263 W C 1.247 177.954 176.519 0.313 0.000 1.151 263 W CA 0.298 57.892 57.345 0.414 0.000 1.765 263 W CB -1.019 28.630 29.460 0.315 0.000 1.085 263 W HN 0.435 nan 8.180 nan 0.000 0.596 264 A N 1.870 124.912 122.820 0.371 0.000 2.790 264 A HA -0.378 3.815 4.320 -0.212 0.000 0.277 264 A C 1.798 179.628 177.584 0.409 0.000 1.435 264 A CA 2.158 54.445 52.037 0.417 0.000 0.877 264 A CB -1.991 17.239 19.000 0.384 0.000 1.007 264 A HN 0.608 nan 8.150 nan 0.000 0.613 265 Q N -1.467 118.308 119.800 -0.042 0.000 2.291 265 Q HA -0.001 4.212 4.340 -0.212 0.000 0.205 265 Q C 0.709 176.667 176.000 -0.070 0.000 0.970 265 Q CA 1.463 56.905 55.803 -0.602 0.000 0.876 265 Q CB 0.000 27.846 28.738 -1.487 0.000 0.935 265 Q HN 0.849 nan 8.270 nan 0.000 0.455 266 Q N -0.997 118.863 119.800 0.101 0.000 2.289 266 Q HA 0.174 4.386 4.340 -0.212 0.000 0.270 266 Q C -1.136 175.057 176.000 0.323 0.000 1.038 266 Q CA -0.668 55.176 55.803 0.068 0.000 0.812 266 Q CB 1.333 30.111 28.738 0.066 0.000 1.300 266 Q HN 0.299 nan 8.270 nan 0.000 0.427 267 W N 0.475 121.817 121.300 0.070 0.000 3.127 267 W HA 0.065 4.597 4.660 -0.213 0.000 0.344 267 W C 1.741 178.285 176.519 0.041 0.000 1.151 267 W CA 0.151 57.527 57.345 0.052 0.000 1.765 267 W CB -0.662 28.826 29.460 0.047 0.000 1.085 267 W HN 0.705 nan 8.180 nan 0.000 0.596 268 S N 0.729 116.553 115.700 0.207 0.000 2.423 268 S HA -0.298 4.044 4.470 -0.212 0.000 0.238 268 S C 1.582 176.270 174.600 0.148 0.000 1.028 268 S CA 1.872 60.162 58.200 0.151 0.000 1.000 268 S CB -0.302 62.973 63.200 0.126 0.000 0.797 268 S HN 0.101 nan 8.310 nan 0.000 0.487 269 E N 1.468 121.755 120.200 0.146 0.000 2.331 269 E HA -0.054 4.168 4.350 -0.212 0.000 0.199 269 E C 0.813 177.467 176.600 0.090 0.000 1.008 269 E CA 0.926 57.390 56.400 0.107 0.000 0.843 269 E CB -0.438 29.320 29.700 0.097 0.000 0.761 269 E HN 0.971 nan 8.360 nan 0.000 0.507 270 I N -3.877 116.760 120.570 0.111 0.000 3.137 270 I HA 0.489 4.532 4.170 -0.212 0.000 0.343 270 I C 0.763 176.944 176.117 0.106 0.000 1.394 270 I CA -0.298 61.046 61.300 0.073 0.000 0.952 270 I CB 1.020 39.046 38.000 0.042 0.000 1.921 270 I HN -0.117 nan 8.210 nan 0.000 0.530 271 A N 1.290 124.184 122.820 0.123 0.000 2.195 271 A HA 0.010 4.202 4.320 -0.212 0.000 0.210 271 A C 1.823 179.484 177.584 0.129 0.000 1.165 271 A CA 0.769 52.911 52.037 0.174 0.000 0.806 271 A CB -0.303 18.808 19.000 0.185 0.000 0.847 271 A HN 0.664 nan 8.150 nan 0.000 0.482 272 D N 0.651 121.090 120.400 0.065 0.000 2.317 272 D HA -0.096 4.417 4.640 -0.212 0.000 0.211 272 D C 1.299 177.591 176.300 -0.013 0.000 0.966 272 D CA 1.277 55.296 54.000 0.033 0.000 0.876 272 D CB -0.283 40.523 40.800 0.010 0.000 0.927 272 D HN 0.688 nan 8.370 nan 0.000 0.519 273 I N -3.535 117.001 120.570 -0.058 0.000 4.147 273 I HA 0.268 4.311 4.170 -0.212 0.000 0.329 273 I C 0.773 176.849 176.117 -0.069 0.000 1.424 273 I CA -0.362 60.846 61.300 -0.153 0.000 1.127 273 I CB 1.166 38.876 38.000 -0.484 0.000 1.128 273 I HN -0.197 nan 8.210 nan 0.000 0.417 274 V N 0.850 120.802 119.914 0.064 0.000 3.451 274 V HA 0.215 4.207 4.120 -0.212 0.000 0.288 274 V C 1.032 177.334 176.094 0.347 0.000 1.502 274 V CA 0.677 63.084 62.300 0.177 0.000 1.026 274 V CB 0.796 32.771 31.823 0.253 0.000 0.840 274 V HN 0.603 nan 8.190 nan 0.000 0.437 275 S N 0.928 116.801 115.700 0.288 0.000 2.564 275 S HA 0.252 4.595 4.470 -0.212 0.000 0.278 275 S C -1.275 173.377 174.600 0.087 0.000 1.333 275 S CA -0.686 57.674 58.200 0.266 0.000 1.048 275 S CB 0.984 64.333 63.200 0.249 0.000 0.900 275 S HN 0.153 nan 8.310 nan 0.000 0.505 276 P HA -0.079 nan 4.420 nan 0.000 0.218 276 P C -0.277 176.681 177.300 -0.570 0.000 1.152 276 P CA 1.431 64.322 63.100 -0.348 0.000 0.857 276 P CB -0.056 31.131 31.700 -0.853 0.000 0.787 277 F N -2.096 117.872 119.950 0.030 0.000 2.810 277 F HA 0.285 4.684 4.527 -0.213 0.000 0.373 277 F C -1.673 174.158 175.800 0.052 0.000 1.174 277 F CA -2.069 55.962 58.000 0.051 0.000 1.141 277 F CB 1.395 40.400 39.000 0.009 0.000 1.420 277 F HN -0.110 nan 8.300 nan 0.000 0.518 278 P HA -0.142 nan 4.420 nan 0.000 0.220 278 P C 0.783 178.157 177.300 0.123 0.000 1.148 278 P CA 1.450 64.627 63.100 0.127 0.000 0.803 278 P CB 0.457 32.210 31.700 0.087 0.000 0.782 279 E N -0.389 119.898 120.200 0.144 0.000 2.152 279 E HA -0.044 4.179 4.350 -0.212 0.000 0.192 279 E C 0.718 177.367 176.600 0.081 0.000 0.983 279 E CA 0.651 57.114 56.400 0.105 0.000 0.818 279 E CB 0.002 29.768 29.700 0.110 0.000 0.758 279 E HN 0.230 nan 8.360 nan 0.000 0.467 280 K N 1.280 121.741 120.400 0.102 0.000 2.098 280 K HA 0.237 4.429 4.320 -0.212 0.000 0.244 280 K C -2.247 174.386 176.600 0.055 0.000 1.014 280 K CA -2.309 53.994 56.287 0.027 0.000 0.917 280 K CB -0.173 32.302 32.500 -0.043 0.000 1.072 280 K HN -0.057 nan 8.250 nan 0.000 0.477 281 P HA 0.092 nan 4.420 nan 0.000 0.268 281 P C -0.589 176.819 177.300 0.180 0.000 1.205 281 P CA 0.114 63.278 63.100 0.107 0.000 0.771 281 P CB 0.544 32.311 31.700 0.112 0.000 0.858 282 L N 3.265 124.595 121.223 0.179 0.000 2.401 282 L HA 0.186 4.399 4.340 -0.212 0.000 0.263 282 L C -0.059 176.900 176.870 0.149 0.000 1.004 282 L CA -1.150 53.793 54.840 0.171 0.000 0.881 282 L CB 1.678 43.822 42.059 0.142 0.000 1.219 282 L HN 0.101 nan 8.230 nan 0.000 0.441 283 V N 2.466 122.469 119.914 0.149 0.000 2.546 283 V HA -0.107 3.886 4.120 -0.212 0.000 0.279 283 V C 0.189 176.320 176.094 0.062 0.000 0.968 283 V CA 0.878 63.217 62.300 0.065 0.000 1.157 283 V CB -0.147 31.677 31.823 0.000 0.000 0.938 283 V HN 0.626 nan 8.190 nan 0.000 0.464 284 D N 4.317 124.739 120.400 0.037 0.000 2.552 284 D HA 0.220 4.732 4.640 -0.212 0.000 0.285 284 D C 0.704 176.990 176.300 -0.023 0.000 1.206 284 D CA -0.349 53.662 54.000 0.018 0.000 0.826 284 D CB 1.364 42.184 40.800 0.034 0.000 1.179 284 D HN 0.228 nan 8.370 nan 0.000 0.508 285 V N 0.933 120.815 119.914 -0.053 0.000 3.284 285 V HA -0.174 3.818 4.120 -0.212 0.000 0.273 285 V C 2.267 178.287 176.094 -0.123 0.000 1.178 285 V CA 1.161 63.404 62.300 -0.095 0.000 1.177 285 V CB -0.626 31.129 31.823 -0.113 0.000 0.793 285 V HN 0.334 nan 8.190 nan 0.000 0.536 286 S N 1.220 116.862 115.700 -0.097 0.000 2.359 286 S HA -0.296 4.046 4.470 -0.212 0.000 0.222 286 S C 2.344 176.889 174.600 -0.092 0.000 1.038 286 S CA 1.808 59.952 58.200 -0.094 0.000 1.051 286 S CB -0.567 62.598 63.200 -0.060 0.000 0.944 286 S HN 0.727 nan 8.310 nan 0.000 0.433 287 A N 1.545 124.325 122.820 -0.066 0.000 1.917 287 A HA -0.178 4.014 4.320 -0.212 0.000 0.219 287 A C 2.095 179.628 177.584 -0.085 0.000 1.182 287 A CA 1.543 53.545 52.037 -0.057 0.000 0.633 287 A CB -0.522 18.458 19.000 -0.033 0.000 0.819 287 A HN 0.380 nan 8.150 nan 0.000 0.448 288 E N -0.493 119.637 120.200 -0.116 0.000 2.106 288 E HA -0.137 4.085 4.350 -0.212 0.000 0.192 288 E C 2.119 178.559 176.600 -0.267 0.000 0.984 288 E CA 1.168 57.475 56.400 -0.153 0.000 0.806 288 E CB -0.381 29.229 29.700 -0.150 0.000 0.750 288 E HN 0.743 nan 8.360 nan 0.000 0.458 289 M N 0.308 119.679 119.600 -0.381 0.000 2.080 289 M HA -0.197 4.156 4.480 -0.212 0.000 0.260 289 M C 2.366 178.496 176.300 -0.284 0.000 1.068 289 M CA 1.557 56.442 55.300 -0.691 0.000 1.109 289 M CB -0.352 31.947 32.600 -0.503 0.000 1.342 289 M HN 0.053 nan 8.290 nan 0.000 0.405 290 E N 0.877 121.000 120.200 -0.128 0.000 2.051 290 E HA -0.215 4.007 4.350 -0.212 0.000 0.192 290 E C 1.815 178.408 176.600 -0.012 0.000 0.991 290 E CA 1.385 57.767 56.400 -0.029 0.000 0.799 290 E CB 0.090 29.776 29.700 -0.024 0.000 0.748 290 E HN 0.420 nan 8.360 nan 0.000 0.449 291 K N -0.074 120.303 120.400 -0.039 0.000 2.283 291 K HA -0.098 4.094 4.320 -0.212 0.000 0.202 291 K C 1.802 178.403 176.600 0.001 0.000 1.048 291 K CA 0.851 57.127 56.287 -0.017 0.000 0.948 291 K CB 0.058 32.542 32.500 -0.027 0.000 0.742 291 K HN 0.233 nan 8.250 nan 0.000 0.458 292 Q N -0.357 119.439 119.800 -0.007 0.000 2.322 292 Q HA 0.153 4.365 4.340 -0.212 0.000 0.203 292 Q C 0.104 176.205 176.000 0.169 0.000 0.923 292 Q CA 0.243 56.084 55.803 0.064 0.000 0.949 292 Q CB 0.597 29.357 28.738 0.036 0.000 1.039 292 Q HN 0.334 nan 8.270 nan 0.000 0.496 293 A N -0.407 122.493 122.820 0.133 0.000 2.887 293 A HA -0.253 3.939 4.320 -0.212 0.000 0.257 293 A C -0.405 177.300 177.584 0.202 0.000 1.372 293 A CA 0.421 52.539 52.037 0.134 0.000 0.879 293 A CB -2.500 16.554 19.000 0.091 0.000 1.082 293 A HN 0.577 nan 8.150 nan 0.000 0.703 294 Y N 0.755 121.064 120.300 0.015 0.000 2.610 294 Y HA 0.324 4.746 4.550 -0.213 0.000 0.332 294 Y C 1.513 177.433 175.900 0.034 0.000 1.201 294 Y CA 1.299 59.413 58.100 0.023 0.000 1.465 294 Y CB 0.685 39.154 38.460 0.014 0.000 1.283 294 Y HN 0.673 nan 8.280 nan 0.000 0.563 295 T N 0.688 115.293 114.554 0.085 0.000 2.906 295 T HA 0.301 4.524 4.350 -0.212 0.000 0.295 295 T C -2.335 172.426 174.700 0.103 0.000 1.075 295 T CA -2.308 59.845 62.100 0.088 0.000 1.005 295 T CB 1.980 70.885 68.868 0.062 0.000 1.136 295 T HN 0.184 nan 8.240 nan 0.000 0.498 296 P HA -0.105 nan 4.420 nan 0.000 0.215 296 P C 1.717 179.247 177.300 0.384 0.000 1.157 296 P CA 0.456 63.707 63.100 0.253 0.000 0.874 296 P CB -0.011 31.850 31.700 0.268 0.000 0.790 297 L N 0.202 121.603 121.223 0.296 0.000 1.989 297 L HA -0.210 4.003 4.340 -0.212 0.000 0.211 297 L C 2.300 179.325 176.870 0.257 0.000 1.071 297 L CA 2.140 57.175 54.840 0.325 0.000 0.749 297 L CB -1.295 40.859 42.059 0.158 0.000 0.890 297 L HN -0.205 nan 8.230 nan 0.000 0.431 298 K N -0.298 120.146 120.400 0.073 0.000 2.032 298 K HA -0.206 3.987 4.320 -0.212 0.000 0.209 298 K C 1.963 178.536 176.600 -0.044 0.000 1.048 298 K CA 2.361 58.607 56.287 -0.069 0.000 0.927 298 K CB -0.503 31.833 32.500 -0.274 0.000 0.712 298 K HN 0.413 nan 8.250 nan 0.000 0.441 299 M N -0.810 118.775 119.600 -0.025 0.000 2.108 299 M HA -0.115 4.237 4.480 -0.212 0.000 0.261 299 M C 1.928 178.200 176.300 -0.046 0.000 1.066 299 M CA 1.710 56.986 55.300 -0.041 0.000 1.107 299 M CB -0.382 32.185 32.600 -0.055 0.000 1.356 299 M HN 0.060 nan 8.290 nan 0.000 0.406 300 F N 0.520 120.563 119.950 0.155 0.000 2.186 300 F HA -0.199 4.201 4.527 -0.212 0.000 0.299 300 F C 2.587 178.601 175.800 0.358 0.000 1.090 300 F CA 1.506 59.657 58.000 0.252 0.000 1.307 300 F CB -0.424 38.831 39.000 0.425 0.000 1.019 300 F HN 0.174 nan 8.300 nan 0.000 0.489 301 Q N -0.593 119.496 119.800 0.482 0.000 2.079 301 Q HA -0.206 4.007 4.340 -0.212 0.000 0.200 301 Q C 2.253 178.396 176.000 0.238 0.000 0.974 301 Q CA 1.577 57.578 55.803 0.331 0.000 0.840 301 Q CB -0.219 28.571 28.738 0.087 0.000 0.898 301 Q HN 0.432 nan 8.270 nan 0.000 0.430 302 M N -0.365 119.335 119.600 0.167 0.000 2.086 302 M HA -0.127 4.225 4.480 -0.212 0.000 0.261 302 M C 2.239 178.716 176.300 0.295 0.000 1.067 302 M CA 1.654 57.075 55.300 0.202 0.000 1.116 302 M CB -0.555 32.148 32.600 0.172 0.000 1.348 302 M HN 0.362 nan 8.290 nan 0.000 0.407 303 G N -0.170 108.717 108.800 0.146 0.000 2.442 303 G HA2 -0.291 3.541 3.960 -0.212 0.000 0.219 303 G HA3 -0.291 3.541 3.960 -0.212 0.000 0.219 303 G C 1.092 176.197 174.900 0.341 0.000 1.141 303 G CA 1.612 46.742 45.100 0.051 0.000 0.763 303 G HN 0.465 nan 8.290 nan 0.000 0.554 304 D N 0.437 121.025 120.400 0.313 0.000 2.183 304 D HA -0.063 4.449 4.640 -0.212 0.000 0.203 304 D C 1.854 178.352 176.300 0.330 0.000 0.969 304 D CA 0.926 55.117 54.000 0.318 0.000 0.842 304 D CB -0.192 40.823 40.800 0.360 0.000 0.957 304 D HN 0.178 nan 8.370 nan 0.000 0.484 305 D N -0.404 120.183 120.400 0.311 0.000 2.117 305 D HA -0.165 4.347 4.640 -0.212 0.000 0.198 305 D C 1.915 178.359 176.300 0.239 0.000 0.982 305 D CA 0.519 54.670 54.000 0.252 0.000 0.828 305 D CB -0.584 40.369 40.800 0.255 0.000 0.967 305 D HN 0.308 nan 8.370 nan 0.000 0.464 306 F N 0.319 120.403 119.950 0.224 0.000 2.120 306 F HA -0.271 4.129 4.527 -0.212 0.000 0.300 306 F C 2.114 177.805 175.800 -0.182 0.000 1.095 306 F CA 1.192 59.219 58.000 0.045 0.000 1.249 306 F CB -0.074 38.960 39.000 0.058 0.000 0.995 306 F HN -0.152 nan 8.300 nan 0.000 0.480 307 F N 0.148 120.226 119.950 0.214 0.000 2.084 307 F HA -0.209 4.191 4.527 -0.211 0.000 0.296 307 F C 2.849 178.643 175.800 -0.009 0.000 1.111 307 F CA 1.857 59.881 58.000 0.040 0.000 1.224 307 F CB -1.335 37.641 39.000 -0.039 0.000 0.991 307 F HN -0.037 nan 8.300 nan 0.000 0.471 308 T N -3.198 111.471 114.554 0.192 0.000 2.833 308 T HA -0.176 4.047 4.350 -0.212 0.000 0.269 308 T C 2.060 176.751 174.700 -0.016 0.000 1.054 308 T CA 1.534 63.681 62.100 0.079 0.000 1.135 308 T CB -0.867 68.047 68.868 0.076 0.000 0.869 308 T HN 0.129 nan 8.240 nan 0.000 0.466 309 S N 1.586 117.220 115.700 -0.111 0.000 2.419 309 S HA 0.104 4.446 4.470 -0.212 0.000 0.235 309 S C 1.617 176.076 174.600 -0.236 0.000 1.019 309 S CA 1.148 59.167 58.200 -0.301 0.000 0.982 309 S CB -0.484 62.216 63.200 -0.834 0.000 0.789 309 S HN 0.546 nan 8.310 nan 0.000 0.490 310 M N 0.999 120.521 119.600 -0.130 0.000 2.530 310 M HA 0.237 4.590 4.480 -0.212 0.000 0.231 310 M C 0.512 176.808 176.300 -0.007 0.000 1.180 310 M CA -0.014 55.252 55.300 -0.055 0.000 0.985 310 M CB -0.464 32.134 32.600 -0.004 0.000 1.623 310 M HN 0.276 nan 8.290 nan 0.000 0.475 311 N N 0.698 119.386 118.700 -0.019 0.000 2.741 311 N HA -0.172 4.441 4.740 -0.212 0.000 0.251 311 N C -0.762 174.760 175.510 0.020 0.000 1.112 311 N CA -0.129 52.916 53.050 -0.009 0.000 0.750 311 N CB -0.479 37.995 38.487 -0.023 0.000 1.119 311 N HN 0.348 nan 8.380 nan 0.000 0.561 312 L N 0.398 121.655 121.223 0.057 0.000 2.431 312 L HA 0.333 4.546 4.340 -0.212 0.000 0.260 312 L C 0.919 177.827 176.870 0.064 0.000 1.098 312 L CA -0.500 54.395 54.840 0.091 0.000 0.800 312 L CB 0.932 43.096 42.059 0.174 0.000 1.210 312 L HN -0.037 nan 8.230 nan 0.000 0.465 313 T N 0.993 115.566 114.554 0.031 0.000 2.902 313 T HA 0.116 4.339 4.350 -0.212 0.000 0.301 313 T C -0.088 174.590 174.700 -0.037 0.000 1.012 313 T CA -0.385 61.710 62.100 -0.007 0.000 1.151 313 T CB 0.175 69.025 68.868 -0.030 0.000 0.946 313 T HN 0.419 nan 8.240 nan 0.000 0.542 314 K N 2.443 122.841 120.400 -0.004 0.000 2.154 314 K HA 0.434 4.626 4.320 -0.212 0.000 0.264 314 K C -0.463 176.114 176.600 -0.039 0.000 1.008 314 K CA -0.930 55.364 56.287 0.011 0.000 0.937 314 K CB 0.294 32.834 32.500 0.066 0.000 1.002 314 K HN 0.151 nan 8.250 nan 0.000 0.469 315 L N 3.904 125.084 121.223 -0.071 0.000 2.513 315 L HA 0.150 4.363 4.340 -0.212 0.000 0.272 315 L C -1.845 175.030 176.870 0.008 0.000 1.187 315 L CA -1.476 53.235 54.840 -0.214 0.000 0.895 315 L CB -0.517 41.210 42.059 -0.554 0.000 1.147 315 L HN 0.799 nan 8.230 nan 0.000 0.483 316 P HA 0.011 nan 4.420 nan 0.000 0.274 316 P C -0.072 177.330 177.300 0.168 0.000 1.256 316 P CA -0.474 62.677 63.100 0.085 0.000 0.795 316 P CB 0.689 32.420 31.700 0.052 0.000 1.038 317 Q N 0.470 120.374 119.800 0.174 0.000 2.226 317 Q HA -0.176 4.036 4.340 -0.212 0.000 0.204 317 Q C 1.319 177.404 176.000 0.142 0.000 0.975 317 Q CA 1.903 57.833 55.803 0.211 0.000 0.866 317 Q CB -0.982 27.832 28.738 0.126 0.000 0.915 317 Q HN 0.316 nan 8.270 nan 0.000 0.440 318 D N -1.085 119.350 120.400 0.058 0.000 2.224 318 D HA -0.102 4.411 4.640 -0.212 0.000 0.205 318 D C 1.223 177.474 176.300 -0.082 0.000 0.965 318 D CA 0.427 54.406 54.000 -0.035 0.000 0.852 318 D CB -0.166 40.587 40.800 -0.078 0.000 0.947 318 D HN 0.317 nan 8.370 nan 0.000 0.494 319 F N -0.459 119.377 119.950 -0.191 0.000 2.084 319 F HA -0.146 4.255 4.527 -0.210 0.000 0.296 319 F C 1.646 177.234 175.800 -0.353 0.000 1.111 319 F CA 1.432 59.225 58.000 -0.344 0.000 1.224 319 F CB -0.407 38.264 39.000 -0.548 0.000 0.991 319 F HN -0.025 nan 8.300 nan 0.000 0.471 320 W N 0.609 121.964 121.300 0.093 0.000 2.595 320 W HA -0.079 4.455 4.660 -0.210 0.000 0.257 320 W C 1.916 178.369 176.519 -0.109 0.000 1.267 320 W CA 0.500 57.839 57.345 -0.010 0.000 1.300 320 W CB -0.308 29.199 29.460 0.078 0.000 1.120 320 W HN 0.007 nan 8.180 nan 0.000 0.618 321 D N 0.032 120.460 120.400 0.046 0.000 2.197 321 D HA -0.038 4.474 4.640 -0.212 0.000 0.212 321 D C 1.387 177.616 176.300 -0.118 0.000 0.963 321 D CA 1.090 55.077 54.000 -0.021 0.000 0.864 321 D CB -0.331 40.451 40.800 -0.030 0.000 1.009 321 D HN 0.139 nan 8.370 nan 0.000 0.479 322 K N 0.360 120.624 120.400 -0.227 0.000 2.437 322 K HA 0.226 4.418 4.320 -0.212 0.000 0.198 322 K C 0.156 176.566 176.600 -0.316 0.000 1.024 322 K CA -0.072 56.031 56.287 -0.306 0.000 1.148 322 K CB 0.809 33.016 32.500 -0.489 0.000 0.860 322 K HN -0.120 nan 8.250 nan 0.000 0.515 323 S N 0.702 116.181 115.700 -0.369 0.000 2.654 323 S HA 0.462 4.804 4.470 -0.212 0.000 0.283 323 S C -0.009 174.496 174.600 -0.158 0.000 1.180 323 S CA -0.613 57.364 58.200 -0.373 0.000 1.021 323 S CB 1.177 63.783 63.200 -0.990 0.000 1.018 323 S HN 0.110 nan 8.310 nan 0.000 0.532 324 I N 2.942 123.472 120.570 -0.067 0.000 2.464 324 I HA 0.283 4.326 4.170 -0.212 0.000 0.277 324 I C 0.486 176.546 176.117 -0.095 0.000 1.040 324 I CA -0.157 61.100 61.300 -0.071 0.000 1.153 324 I CB 0.754 38.702 38.000 -0.087 0.000 1.274 324 I HN 0.671 nan 8.210 nan 0.000 0.469 325 I N 0.973 121.468 120.570 -0.124 0.000 3.928 325 I HA 0.425 4.468 4.170 -0.212 0.000 0.335 325 I C 0.323 176.489 176.117 0.082 0.000 1.325 325 I CA 0.188 61.453 61.300 -0.058 0.000 1.107 325 I CB 0.274 38.127 38.000 -0.245 0.000 1.014 325 I HN 0.482 nan 8.210 nan 0.000 0.400 326 E N 1.919 122.140 120.200 0.034 0.000 2.331 326 E HA 0.317 4.540 4.350 -0.212 0.000 0.275 326 E C -0.944 175.664 176.600 0.014 0.000 0.895 326 E CA -0.885 55.542 56.400 0.045 0.000 0.753 326 E CB 1.844 31.571 29.700 0.044 0.000 1.216 326 E HN 0.156 nan 8.360 nan 0.000 0.434 327 K N 4.254 124.664 120.400 0.017 0.000 2.402 327 K HA 0.170 4.363 4.320 -0.212 0.000 0.285 327 K C -2.217 174.377 176.600 -0.010 0.000 1.054 327 K CA -1.229 55.056 56.287 -0.002 0.000 1.001 327 K CB 0.302 32.806 32.500 0.005 0.000 0.946 327 K HN 0.262 nan 8.250 nan 0.000 0.473 328 P HA -0.096 nan 4.420 nan 0.000 0.263 328 P C 0.013 177.303 177.300 -0.016 0.000 1.168 328 P CA 0.330 63.413 63.100 -0.029 0.000 0.759 328 P CB 0.621 32.291 31.700 -0.050 0.000 0.782 329 T N -2.182 112.366 114.554 -0.011 0.000 3.107 329 T HA 0.064 4.287 4.350 -0.212 0.000 0.249 329 T C 0.329 175.026 174.700 -0.005 0.000 1.096 329 T CA -0.225 61.873 62.100 -0.004 0.000 1.012 329 T CB -0.550 68.319 68.868 0.000 0.000 0.977 329 T HN 0.414 nan 8.240 nan 0.000 0.527 330 D N 0.860 121.254 120.400 -0.010 0.000 2.388 330 D HA 0.437 4.950 4.640 -0.212 0.000 0.254 330 D C 1.356 177.652 176.300 -0.008 0.000 1.111 330 D CA -0.774 53.221 54.000 -0.008 0.000 0.993 330 D CB 0.249 41.042 40.800 -0.011 0.000 1.118 330 D HN 0.015 nan 8.370 nan 0.000 0.502 331 G N -0.380 108.418 108.800 -0.003 0.000 3.028 331 G HA2 -0.133 3.700 3.960 -0.212 0.000 0.205 331 G HA3 -0.133 3.700 3.960 -0.212 0.000 0.205 331 G C 0.563 175.460 174.900 -0.005 0.000 1.182 331 G CA -0.219 44.880 45.100 -0.000 0.000 0.860 331 G HN 0.275 nan 8.290 nan 0.000 0.507 332 R N -0.125 120.366 120.500 -0.015 0.000 2.784 332 R HA 0.206 4.419 4.340 -0.212 0.000 0.266 332 R C -0.832 175.451 176.300 -0.029 0.000 1.044 332 R CA 0.077 56.161 56.100 -0.027 0.000 1.151 332 R CB 0.361 30.634 30.300 -0.045 0.000 1.037 332 R HN 0.051 nan 8.270 nan 0.000 0.478 333 D N 2.091 122.469 120.400 -0.038 0.000 2.278 333 D HA 0.352 4.864 4.640 -0.212 0.000 0.245 333 D C -0.728 175.517 176.300 -0.091 0.000 1.052 333 D CA -0.310 53.668 54.000 -0.037 0.000 0.834 333 D CB 1.353 42.146 40.800 -0.012 0.000 1.194 333 D HN 0.136 nan 8.370 nan 0.000 0.481 334 L N -0.348 120.821 121.223 -0.090 0.000 2.510 334 L HA 0.659 4.872 4.340 -0.212 0.000 0.252 334 L C -1.140 175.675 176.870 -0.091 0.000 1.091 334 L CA -1.140 53.607 54.840 -0.156 0.000 0.888 334 L CB 0.213 42.173 42.059 -0.164 0.000 1.507 334 L HN 0.093 nan 8.230 nan 0.000 0.407 335 V N 0.742 120.590 119.914 -0.109 0.000 2.350 335 V HA 0.298 4.291 4.120 -0.212 0.000 0.276 335 V C 0.327 176.416 176.094 -0.008 0.000 1.028 335 V CA -0.055 62.249 62.300 0.006 0.000 0.860 335 V CB 1.019 32.875 31.823 0.055 0.000 0.990 335 V HN 0.918 nan 8.190 nan 0.000 0.453 336 c N 4.865 123.479 118.600 0.025 0.000 2.760 336 c HA 0.289 4.731 4.570 -0.212 0.000 0.293 336 c C 0.827 174.908 174.090 -0.015 0.000 1.383 336 c CA -0.408 55.922 56.329 0.001 0.000 1.771 336 c CB -1.511 41.000 42.510 0.002 0.000 2.353 336 c HN 0.940 nan 8.230 nan 0.000 0.578 337 H N 1.464 120.426 119.070 -0.180 0.000 3.067 337 H HA 0.500 4.928 4.556 -0.213 0.000 0.265 337 H C 0.819 176.033 175.328 -0.190 0.000 1.234 337 H CA 0.428 56.273 56.048 -0.337 0.000 1.452 337 H CB 0.291 29.439 29.762 -1.022 0.000 1.527 337 H HN 0.530 nan 8.280 nan 0.000 0.486 338 A N 4.434 127.103 122.820 -0.251 0.000 2.608 338 A HA 0.199 4.391 4.320 -0.212 0.000 0.247 338 A C 0.200 177.829 177.584 0.076 0.000 0.972 338 A CA 1.302 53.311 52.037 -0.046 0.000 0.838 338 A CB -0.439 18.528 19.000 -0.055 0.000 0.856 338 A HN 1.005 nan 8.150 nan 0.000 0.478 339 S N 0.417 116.263 115.700 0.243 0.000 2.578 339 S HA 0.763 5.106 4.470 -0.212 0.000 0.272 339 S C -0.723 174.152 174.600 0.459 0.000 1.145 339 S CA -0.249 58.135 58.200 0.307 0.000 0.835 339 S CB 1.212 64.570 63.200 0.262 0.000 1.104 339 S HN 2.345 nan 8.310 nan 0.000 0.458 340 A N 0.852 123.890 122.820 0.362 0.000 2.331 340 A HA 0.754 4.947 4.320 -0.212 0.000 0.320 340 A C -1.622 176.275 177.584 0.521 0.000 1.138 340 A CA -0.658 51.694 52.037 0.526 0.000 0.790 340 A CB 0.368 19.616 19.000 0.413 0.000 1.206 340 A HN 0.707 nan 8.150 nan 0.000 0.470 341 W N 1.154 122.712 121.300 0.429 0.000 2.529 341 W HA 0.484 5.001 4.660 -0.238 0.000 0.321 341 W C -0.465 175.898 176.519 -0.260 0.000 1.047 341 W CA -0.360 57.030 57.345 0.076 0.000 1.216 341 W CB 1.526 30.979 29.460 -0.011 0.000 1.357 341 W HN 0.624 nan 8.180 nan 0.000 0.489 342 D N 2.105 122.016 120.400 -0.815 0.000 2.329 342 D HA 0.212 4.724 4.640 -0.212 0.000 0.232 342 D C -0.141 175.663 176.300 -0.827 0.000 1.088 342 D CA -0.423 52.821 54.000 -1.260 0.000 0.835 342 D CB 0.725 40.254 40.800 -2.119 0.000 1.078 342 D HN 0.226 nan 8.370 nan 0.000 0.495 343 F N 2.490 122.237 119.950 -0.337 0.000 2.765 343 F HA 0.107 4.502 4.527 -0.220 0.000 0.302 343 F C 0.472 176.297 175.800 0.041 0.000 1.111 343 F CA -0.260 57.689 58.000 -0.085 0.000 1.359 343 F CB -0.289 38.654 39.000 -0.095 0.000 1.097 343 F HN 0.420 nan 8.300 nan 0.000 0.577 344 Y N -1.022 119.316 120.300 0.063 0.000 3.929 344 Y HA -0.279 4.141 4.550 -0.216 0.000 0.225 344 Y C 0.527 176.484 175.900 0.094 0.000 1.200 344 Y CA -0.182 57.974 58.100 0.093 0.000 1.791 344 Y CB -2.097 36.434 38.460 0.120 0.000 1.561 344 Y HN 0.075 nan 8.280 nan 0.000 0.657 345 L N -1.066 120.250 121.223 0.155 0.000 2.867 345 L HA 0.615 4.827 4.340 -0.212 0.000 0.235 345 L C 0.352 177.278 176.870 0.094 0.000 2.007 345 L CA -1.328 53.581 54.840 0.115 0.000 2.313 345 L CB 0.843 42.952 42.059 0.084 0.000 2.475 345 L HN -0.107 nan 8.230 nan 0.000 0.585 346 I N 0.747 121.359 120.570 0.070 0.000 2.410 346 I HA 0.237 4.280 4.170 -0.212 0.000 0.286 346 I C -0.972 175.176 176.117 0.052 0.000 1.009 346 I CA -0.217 61.125 61.300 0.069 0.000 1.111 346 I CB 1.488 39.526 38.000 0.063 0.000 1.262 346 I HN 0.555 nan 8.210 nan 0.000 0.443 347 D N 2.687 123.123 120.400 0.060 0.000 3.041 347 D HA -0.186 4.326 4.640 -0.212 0.000 0.220 347 D C -0.036 176.285 176.300 0.036 0.000 1.157 347 D CA 1.078 55.108 54.000 0.050 0.000 0.876 347 D CB -0.808 40.015 40.800 0.039 0.000 1.107 347 D HN 0.563 nan 8.370 nan 0.000 0.422 348 D N 0.724 121.148 120.400 0.041 0.000 2.505 348 D HA 0.307 4.820 4.640 -0.212 0.000 0.242 348 D C -0.492 175.881 176.300 0.122 0.000 1.136 348 D CA -0.457 53.539 54.000 -0.007 0.000 0.954 348 D CB 0.248 41.014 40.800 -0.056 0.000 1.002 348 D HN 0.087 nan 8.370 nan 0.000 0.512 349 V N 1.076 121.077 119.914 0.145 0.000 2.540 349 V HA 0.793 4.785 4.120 -0.212 0.000 0.302 349 V C -0.545 175.723 176.094 0.290 0.000 1.035 349 V CA -0.901 61.586 62.300 0.311 0.000 0.873 349 V CB 1.749 33.787 31.823 0.359 0.000 0.992 349 V HN 0.268 nan 8.190 nan 0.000 0.428 350 R N 4.251 124.925 120.500 0.290 0.000 2.774 350 R HA 0.790 5.002 4.340 -0.212 0.000 0.272 350 R C -1.461 175.002 176.300 0.273 0.000 1.000 350 R CA -0.867 55.204 56.100 -0.049 0.000 0.906 350 R CB 2.716 32.758 30.300 -0.430 0.000 1.227 350 R HN 0.696 nan 8.270 nan 0.000 0.468 351 I N 1.036 121.650 120.570 0.075 0.000 2.603 351 I HA 0.376 4.419 4.170 -0.212 0.000 0.300 351 I C -0.637 175.643 176.117 0.271 0.000 1.017 351 I CA -0.897 60.615 61.300 0.354 0.000 1.098 351 I CB 2.298 40.558 38.000 0.434 0.000 1.279 351 I HN 0.459 nan 8.210 nan 0.000 0.437 352 K N 6.026 126.629 120.400 0.338 0.000 2.483 352 K HA 0.473 4.665 4.320 -0.212 0.000 0.256 352 K C -1.251 175.429 176.600 0.133 0.000 0.961 352 K CA -0.450 55.905 56.287 0.114 0.000 0.873 352 K CB 1.290 33.716 32.500 -0.123 0.000 1.107 352 K HN 0.619 nan 8.250 nan 0.000 0.432 353 Q N 3.642 123.506 119.800 0.106 0.000 2.340 353 Q HA 0.288 4.500 4.340 -0.212 0.000 0.276 353 Q C -1.198 174.856 176.000 0.090 0.000 1.048 353 Q CA -0.813 55.066 55.803 0.126 0.000 0.832 353 Q CB 1.933 30.823 28.738 0.253 0.000 1.373 353 Q HN 0.803 nan 8.270 nan 0.000 0.409 354 c N 3.161 121.794 118.600 0.055 0.000 2.293 354 c HA 0.155 4.597 4.570 -0.212 0.000 0.380 354 c C 0.758 174.886 174.090 0.064 0.000 1.343 354 c CA 0.173 56.528 56.329 0.044 0.000 1.754 354 c CB -1.841 40.681 42.510 0.019 0.000 2.265 354 c HN 0.746 nan 8.230 nan 0.000 0.579 355 T N 0.562 115.185 114.554 0.113 0.000 2.872 355 T HA -0.023 4.200 4.350 -0.212 0.000 0.292 355 T C -0.120 174.630 174.700 0.083 0.000 1.036 355 T CA 0.757 62.929 62.100 0.119 0.000 1.136 355 T CB 0.527 69.528 68.868 0.222 0.000 1.052 355 T HN 0.694 nan 8.240 nan 0.000 0.512 356 R N 1.779 122.312 120.500 0.055 0.000 2.837 356 R HA 0.550 4.762 4.340 -0.212 0.000 0.271 356 R C -0.757 175.567 176.300 0.039 0.000 0.993 356 R CA -1.151 54.975 56.100 0.043 0.000 0.931 356 R CB 2.193 32.507 30.300 0.023 0.000 1.206 356 R HN 0.518 nan 8.270 nan 0.000 0.474 357 V N 2.300 122.241 119.914 0.046 0.000 2.153 357 V HA 0.152 4.145 4.120 -0.212 0.000 0.250 357 V C 0.138 176.234 176.094 0.002 0.000 1.334 357 V CA -0.023 62.308 62.300 0.051 0.000 1.249 357 V CB -0.585 31.292 31.823 0.090 0.000 1.371 357 V HN 0.905 nan 8.190 nan 0.000 0.498 358 T N -0.638 113.898 114.554 -0.029 0.000 2.883 358 T HA 0.346 4.569 4.350 -0.212 0.000 0.296 358 T C 0.610 175.225 174.700 -0.141 0.000 1.117 358 T CA -0.567 61.492 62.100 -0.069 0.000 1.006 358 T CB 2.156 70.995 68.868 -0.050 0.000 1.191 358 T HN 0.245 nan 8.240 nan 0.000 0.508 359 Q N 0.113 119.799 119.800 -0.191 0.000 2.096 359 Q HA -0.201 4.012 4.340 -0.212 0.000 0.204 359 Q C 1.525 177.170 176.000 -0.592 0.000 0.982 359 Q CA 2.455 58.029 55.803 -0.383 0.000 0.850 359 Q CB -0.300 28.261 28.738 -0.295 0.000 0.901 359 Q HN 0.870 nan 8.270 nan 0.000 0.422 360 D N -0.787 119.446 120.400 -0.279 0.000 2.144 360 D HA -0.182 4.330 4.640 -0.212 0.000 0.199 360 D C 1.909 178.139 176.300 -0.117 0.000 0.984 360 D CA 1.050 54.969 54.000 -0.134 0.000 0.834 360 D CB 0.128 40.934 40.800 0.011 0.000 0.955 360 D HN 0.213 nan 8.370 nan 0.000 0.465 361 Q N 0.036 119.767 119.800 -0.116 0.000 2.124 361 Q HA -0.113 4.100 4.340 -0.212 0.000 0.202 361 Q C 2.408 178.350 176.000 -0.097 0.000 0.977 361 Q CA 0.480 56.239 55.803 -0.072 0.000 0.850 361 Q CB -0.474 28.237 28.738 -0.045 0.000 0.901 361 Q HN 0.439 nan 8.270 nan 0.000 0.429 362 L N -0.107 121.012 121.223 -0.174 0.000 2.079 362 L HA -0.193 4.020 4.340 -0.212 0.000 0.210 362 L C 2.009 178.929 176.870 0.084 0.000 1.081 362 L CA 1.221 55.992 54.840 -0.115 0.000 0.752 362 L CB -0.204 41.751 42.059 -0.174 0.000 0.896 362 L HN 0.123 nan 8.230 nan 0.000 0.433 363 F N -0.205 119.784 119.950 0.066 0.000 2.163 363 F HA -0.128 4.271 4.527 -0.213 0.000 0.297 363 F C 2.669 178.497 175.800 0.047 0.000 1.094 363 F CA 1.351 59.376 58.000 0.041 0.000 1.290 363 F CB -1.562 37.412 39.000 -0.044 0.000 1.017 363 F HN 0.032 nan 8.300 nan 0.000 0.483 364 T N 0.028 114.689 114.554 0.178 0.000 2.746 364 T HA -0.140 4.083 4.350 -0.212 0.000 0.267 364 T C 2.378 177.132 174.700 0.089 0.000 1.039 364 T CA 1.380 63.542 62.100 0.103 0.000 1.142 364 T CB -0.760 68.123 68.868 0.024 0.000 0.866 364 T HN 0.031 nan 8.240 nan 0.000 0.444 365 V N 1.589 121.476 119.914 -0.046 0.000 2.252 365 V HA -0.268 3.725 4.120 -0.212 0.000 0.249 365 V C 2.525 178.523 176.094 -0.160 0.000 1.056 365 V CA 1.788 63.933 62.300 -0.257 0.000 1.022 365 V CB -0.684 30.764 31.823 -0.625 0.000 0.641 365 V HN 0.612 nan 8.190 nan 0.000 0.445 366 H N -1.062 117.996 119.070 -0.019 0.000 2.319 366 H HA -0.223 4.206 4.556 -0.212 0.000 0.299 366 H C 2.312 177.643 175.328 0.006 0.000 1.092 366 H CA 2.327 58.376 56.048 0.003 0.000 1.302 366 H CB -0.467 29.244 29.762 -0.086 0.000 1.373 366 H HN 0.661 nan 8.280 nan 0.000 0.497 367 H N 1.042 120.142 119.070 0.050 0.000 2.252 367 H HA -0.144 4.284 4.556 -0.213 0.000 0.292 367 H C 2.196 177.487 175.328 -0.061 0.000 1.082 367 H CA 2.162 58.182 56.048 -0.047 0.000 1.229 367 H CB 0.298 30.053 29.762 -0.012 0.000 1.353 367 H HN 0.181 nan 8.280 nan 0.000 0.488 368 E N 0.478 120.850 120.200 0.286 0.000 2.070 368 E HA -0.173 4.050 4.350 -0.212 0.000 0.197 368 E C 2.490 179.164 176.600 0.124 0.000 1.004 368 E CA 0.759 57.356 56.400 0.328 0.000 0.805 368 E CB -0.424 29.500 29.700 0.372 0.000 0.744 368 E HN 0.460 nan 8.360 nan 0.000 0.451 369 L N 0.461 121.708 121.223 0.041 0.000 2.127 369 L HA -0.128 4.084 4.340 -0.212 0.000 0.211 369 L C 2.372 179.044 176.870 -0.330 0.000 1.089 369 L CA 1.803 56.549 54.840 -0.157 0.000 0.757 369 L CB -1.781 40.226 42.059 -0.087 0.000 0.899 369 L HN 0.193 nan 8.230 nan 0.000 0.434 370 G N -1.164 107.525 108.800 -0.186 0.000 2.476 370 G HA2 -0.293 3.540 3.960 -0.212 0.000 0.218 370 G HA3 -0.293 3.540 3.960 -0.212 0.000 0.218 370 G C 1.440 176.087 174.900 -0.422 0.000 1.164 370 G CA 0.628 45.547 45.100 -0.301 0.000 0.768 370 G HN 0.412 nan 8.290 nan 0.000 0.560 371 H N 0.519 119.416 119.070 -0.289 0.000 2.319 371 H HA -0.046 4.385 4.556 -0.209 0.000 0.299 371 H C 2.790 177.595 175.328 -0.872 0.000 1.092 371 H CA 1.188 57.000 56.048 -0.392 0.000 1.302 371 H CB -0.241 29.392 29.762 -0.214 0.000 1.373 371 H HN 0.210 nan 8.280 nan 0.000 0.497 372 I N 0.972 121.261 120.570 -0.468 0.000 2.208 372 I HA -0.232 3.811 4.170 -0.212 0.000 0.245 372 I C 2.562 178.414 176.117 -0.441 0.000 1.097 372 I CA 1.087 62.146 61.300 -0.400 0.000 1.363 372 I CB -0.992 36.853 38.000 -0.258 0.000 1.051 372 I HN 0.199 nan 8.210 nan 0.000 0.413 373 Q N 0.544 119.997 119.800 -0.579 0.000 2.061 373 Q HA -0.225 3.987 4.340 -0.212 0.000 0.204 373 Q C 2.317 178.096 176.000 -0.368 0.000 0.984 373 Q CA 1.787 57.267 55.803 -0.539 0.000 0.846 373 Q CB -0.688 27.662 28.738 -0.647 0.000 0.902 373 Q HN 0.566 nan 8.270 nan 0.000 0.421 374 Y N -0.955 118.984 120.300 -0.602 0.000 2.128 374 Y HA -0.307 4.116 4.550 -0.211 0.000 0.284 374 Y C 1.713 176.993 175.900 -1.035 0.000 1.154 374 Y CA 0.853 58.497 58.100 -0.761 0.000 1.149 374 Y CB -0.061 37.860 38.460 -0.898 0.000 0.976 374 Y HN 0.155 nan 8.280 nan 0.000 0.505 375 F N 0.017 119.677 119.950 -0.484 0.000 2.069 375 F HA -0.307 4.093 4.527 -0.210 0.000 0.298 375 F C 2.236 177.862 175.800 -0.289 0.000 1.113 375 F CA 1.194 58.958 58.000 -0.394 0.000 1.214 375 F CB -1.409 37.543 39.000 -0.080 0.000 0.978 375 F HN 0.038 nan 8.300 nan 0.000 0.474 376 L N -0.670 120.554 121.223 0.001 0.000 2.017 376 L HA -0.220 3.993 4.340 -0.212 0.000 0.208 376 L C 2.642 179.530 176.870 0.029 0.000 1.073 376 L CA 1.152 56.001 54.840 0.016 0.000 0.745 376 L CB -0.823 41.210 42.059 -0.045 0.000 0.894 376 L HN 0.130 nan 8.230 nan 0.000 0.432 377 Q N 0.038 119.801 119.800 -0.060 0.000 2.181 377 Q HA -0.202 4.011 4.340 -0.212 0.000 0.205 377 Q C 1.377 177.524 176.000 0.245 0.000 0.980 377 Q CA 1.596 57.426 55.803 0.044 0.000 0.862 377 Q CB -0.158 28.572 28.738 -0.013 0.000 0.905 377 Q HN 0.752 nan 8.270 nan 0.000 0.429 378 Y N -1.794 118.641 120.300 0.224 0.000 2.696 378 Y HA 0.413 4.835 4.550 -0.214 0.000 0.260 378 Y C 1.398 177.323 175.900 0.041 0.000 1.165 378 Y CA -0.818 57.352 58.100 0.118 0.000 1.189 378 Y CB -0.762 37.706 38.460 0.013 0.000 1.180 378 Y HN -0.073 nan 8.280 nan 0.000 0.538 379 Q N 0.943 121.016 119.800 0.455 0.000 2.029 379 Q HA -0.295 3.918 4.340 -0.212 0.000 0.209 379 Q C 1.738 177.870 176.000 0.220 0.000 0.999 379 Q CA 2.716 58.708 55.803 0.315 0.000 0.857 379 Q CB -0.657 28.233 28.738 0.255 0.000 0.926 379 Q HN 0.983 nan 8.270 nan 0.000 0.415 380 H N -0.144 119.012 119.070 0.144 0.000 2.492 380 H HA -0.039 4.389 4.556 -0.212 0.000 0.296 380 H C 0.455 175.840 175.328 0.096 0.000 1.095 380 H CA 0.249 56.362 56.048 0.108 0.000 1.281 380 H CB -0.086 29.736 29.762 0.100 0.000 1.374 380 H HN 0.080 nan 8.280 nan 0.000 0.545 381 Q N 2.030 121.588 119.800 -0.403 0.000 2.395 381 Q HA 0.134 4.347 4.340 -0.212 0.000 0.271 381 Q C -2.171 173.758 176.000 -0.117 0.000 1.026 381 Q CA -1.718 53.938 55.803 -0.245 0.000 0.900 381 Q CB 0.410 29.010 28.738 -0.230 0.000 1.266 381 Q HN 0.315 nan 8.270 nan 0.000 0.430 382 P HA -0.102 nan 4.420 nan 0.000 0.264 382 P C 0.443 177.619 177.300 -0.206 0.000 1.183 382 P CA 0.085 63.056 63.100 -0.217 0.000 0.763 382 P CB 0.217 31.644 31.700 -0.455 0.000 0.807 383 F N 4.862 124.686 119.950 -0.209 0.000 2.063 383 F HA -0.310 4.088 4.527 -0.215 0.000 0.297 383 F C 2.116 177.795 175.800 -0.203 0.000 1.099 383 F CA 2.159 60.062 58.000 -0.163 0.000 1.220 383 F CB -0.976 37.914 39.000 -0.184 0.000 0.972 383 F HN 0.129 nan 8.300 nan 0.000 0.487 384 V N -0.278 119.381 119.914 -0.425 0.000 2.546 384 V HA -0.318 3.674 4.120 -0.212 0.000 0.254 384 V C 1.670 177.563 176.094 -0.335 0.000 1.076 384 V CA 2.025 64.046 62.300 -0.464 0.000 1.087 384 V CB -0.791 30.797 31.823 -0.391 0.000 0.674 384 V HN 0.534 nan 8.190 nan 0.000 0.470 385 Y N 0.093 120.147 120.300 -0.409 0.000 2.457 385 Y HA 0.382 4.804 4.550 -0.213 0.000 0.263 385 Y C 1.745 177.276 175.900 -0.614 0.000 1.164 385 Y CA -0.691 57.159 58.100 -0.417 0.000 1.274 385 Y CB -0.333 37.939 38.460 -0.313 0.000 1.097 385 Y HN 0.241 nan 8.280 nan 0.000 0.523 386 R N 0.597 120.782 120.500 -0.524 0.000 4.902 386 R HA 0.160 4.373 4.340 -0.212 0.000 0.201 386 R C 0.304 176.090 176.300 -0.856 0.000 2.020 386 R CA 0.183 55.819 56.100 -0.772 0.000 1.674 386 R CB -0.267 29.862 30.300 -0.285 0.000 1.349 386 R HN 0.021 nan 8.270 nan 0.000 0.813 387 T N -1.826 112.173 114.554 -0.926 0.000 2.787 387 T HA 0.507 4.729 4.350 -0.212 0.000 0.297 387 T C -0.104 174.359 174.700 -0.395 0.000 1.221 387 T CA -0.507 61.330 62.100 -0.437 0.000 1.006 387 T CB 1.577 70.286 68.868 -0.265 0.000 1.328 387 T HN 0.349 nan 8.240 nan 0.000 0.509 388 G N 0.415 109.162 108.800 -0.090 0.000 2.572 388 G HA2 0.538 4.371 3.960 -0.212 0.000 0.261 388 G HA3 0.538 4.371 3.960 -0.212 0.000 0.261 388 G C 0.078 174.911 174.900 -0.111 0.000 1.197 388 G CA -0.129 44.874 45.100 -0.162 0.000 0.870 388 G HN 1.013 nan 8.290 nan 0.000 0.548 389 A N 1.753 124.512 122.820 -0.101 0.000 2.666 389 A HA 0.492 4.685 4.320 -0.212 0.000 0.301 389 A C 0.713 178.136 177.584 -0.267 0.000 1.470 389 A CA 0.231 52.108 52.037 -0.268 0.000 1.159 389 A CB -1.135 17.574 19.000 -0.486 0.000 1.116 389 A HN 2.252 nan 8.150 nan 0.000 0.548 390 N N 1.759 120.371 118.700 -0.147 0.000 4.102 390 N HA -0.125 4.488 4.740 -0.212 0.000 0.315 390 N C -2.362 173.121 175.510 -0.046 0.000 2.203 390 N CA 0.479 53.417 53.050 -0.187 0.000 2.949 390 N CB -1.197 37.200 38.487 -0.151 0.000 0.308 390 N HN 0.186 nan 8.380 nan 0.000 0.727 391 P HA -0.123 nan 4.420 nan 0.000 0.219 391 P C 1.433 178.820 177.300 0.146 0.000 1.145 391 P CA 2.338 65.415 63.100 -0.039 0.000 0.813 391 P CB -0.223 31.355 31.700 -0.204 0.000 0.771 392 G N -1.629 107.336 108.800 0.275 0.000 2.402 392 G HA2 -0.228 3.605 3.960 -0.212 0.000 0.216 392 G HA3 -0.228 3.605 3.960 -0.212 0.000 0.216 392 G C 1.282 176.374 174.900 0.320 0.000 1.162 392 G CA 0.220 45.489 45.100 0.282 0.000 0.777 392 G HN 0.229 nan 8.290 nan 0.000 0.539 393 F N -0.000 120.074 119.950 0.207 0.000 2.202 393 F HA -0.088 4.311 4.527 -0.213 0.000 0.301 393 F C 2.657 178.627 175.800 0.283 0.000 1.082 393 F CA 1.105 59.280 58.000 0.291 0.000 1.313 393 F CB -0.123 39.095 39.000 0.364 0.000 1.024 393 F HN 0.135 nan 8.300 nan 0.000 0.495 394 H N 0.583 119.953 119.070 0.499 0.000 2.387 394 H HA -0.112 4.318 4.556 -0.209 0.000 0.299 394 H C 2.035 177.436 175.328 0.122 0.000 1.090 394 H CA 1.581 57.893 56.048 0.439 0.000 1.332 394 H CB 0.104 30.081 29.762 0.358 0.000 1.386 394 H HN 0.231 nan 8.280 nan 0.000 0.516 395 E N 0.214 120.549 120.200 0.224 0.000 2.107 395 E HA -0.033 4.190 4.350 -0.212 0.000 0.191 395 E C 2.385 178.868 176.600 -0.195 0.000 0.982 395 E CA 0.757 57.178 56.400 0.035 0.000 0.809 395 E CB -0.357 29.425 29.700 0.137 0.000 0.756 395 E HN 0.426 nan 8.360 nan 0.000 0.459 396 A N 1.433 124.200 122.820 -0.087 0.000 1.933 396 A HA -0.128 4.064 4.320 -0.212 0.000 0.218 396 A C 2.587 180.046 177.584 -0.208 0.000 1.175 396 A CA 1.326 53.284 52.037 -0.133 0.000 0.628 396 A CB -0.769 18.217 19.000 -0.023 0.000 0.814 396 A HN 0.101 nan 8.150 nan 0.000 0.444 397 V N 0.115 119.879 119.914 -0.250 0.000 2.223 397 V HA -0.350 3.643 4.120 -0.212 0.000 0.253 397 V C 2.828 178.685 176.094 -0.396 0.000 1.061 397 V CA 2.443 64.540 62.300 -0.339 0.000 1.035 397 V CB -1.690 29.848 31.823 -0.475 0.000 0.653 397 V HN 0.596 nan 8.190 nan 0.000 0.454 398 G N -0.887 107.651 108.800 -0.437 0.000 2.450 398 G HA2 -0.272 3.560 3.960 -0.212 0.000 0.220 398 G HA3 -0.272 3.560 3.960 -0.212 0.000 0.220 398 G C 1.172 175.857 174.900 -0.358 0.000 1.130 398 G CA 1.128 46.024 45.100 -0.341 0.000 0.760 398 G HN 0.564 nan 8.290 nan 0.000 0.557 399 D N -0.076 120.093 120.400 -0.385 0.000 2.178 399 D HA -0.060 4.452 4.640 -0.212 0.000 0.201 399 D C 2.650 178.638 176.300 -0.520 0.000 0.980 399 D CA 0.305 54.055 54.000 -0.417 0.000 0.842 399 D CB -0.159 40.379 40.800 -0.436 0.000 0.948 399 D HN 0.204 nan 8.370 nan 0.000 0.472 400 V N 0.760 120.432 119.914 -0.404 0.000 2.427 400 V HA -0.181 3.812 4.120 -0.212 0.000 0.248 400 V C 2.430 178.288 176.094 -0.394 0.000 1.051 400 V CA 1.011 63.119 62.300 -0.319 0.000 1.048 400 V CB -0.265 31.591 31.823 0.056 0.000 0.666 400 V HN 0.275 nan 8.190 nan 0.000 0.456 401 L N -0.605 120.290 121.223 -0.546 0.000 2.056 401 L HA -0.107 4.105 4.340 -0.212 0.000 0.207 401 L C 2.554 178.912 176.870 -0.853 0.000 1.078 401 L CA 1.648 55.973 54.840 -0.858 0.000 0.749 401 L CB -1.009 40.348 42.059 -1.171 0.000 0.901 401 L HN 0.317 nan 8.230 nan 0.000 0.433 402 S N 0.248 115.535 115.700 -0.688 0.000 2.442 402 S HA -0.103 4.240 4.470 -0.212 0.000 0.236 402 S C 2.021 176.195 174.600 -0.709 0.000 1.007 402 S CA 0.953 58.781 58.200 -0.619 0.000 0.965 402 S CB -0.198 62.730 63.200 -0.452 0.000 0.773 402 S HN 0.295 nan 8.310 nan 0.000 0.504 403 L N 0.396 121.176 121.223 -0.737 0.000 2.093 403 L HA -0.063 4.150 4.340 -0.212 0.000 0.208 403 L C 2.524 179.104 176.870 -0.484 0.000 1.085 403 L CA 0.840 55.206 54.840 -0.789 0.000 0.755 403 L CB -0.363 40.932 42.059 -1.273 0.000 0.904 403 L HN 0.255 nan 8.230 nan 0.000 0.435 404 S N -0.476 115.025 115.700 -0.332 0.000 2.371 404 S HA -0.120 4.223 4.470 -0.212 0.000 0.224 404 S C 1.754 176.282 174.600 -0.120 0.000 1.029 404 S CA 1.312 59.472 58.200 -0.067 0.000 0.978 404 S CB -0.048 63.203 63.200 0.085 0.000 0.833 404 S HN 0.396 nan 8.310 nan 0.000 0.466 405 V N 1.298 121.052 119.914 -0.267 0.000 3.510 405 V HA 0.120 4.112 4.120 -0.212 0.000 0.270 405 V C 1.585 177.785 176.094 0.176 0.000 1.201 405 V CA 1.297 63.553 62.300 -0.073 0.000 1.166 405 V CB -0.715 31.057 31.823 -0.086 0.000 0.825 405 V HN 0.516 nan 8.190 nan 0.000 0.484 406 S N 0.244 115.962 115.700 0.031 0.000 2.511 406 S HA 0.082 4.424 4.470 -0.212 0.000 0.214 406 S C 1.101 175.729 174.600 0.048 0.000 0.997 406 S CA 0.385 58.636 58.200 0.084 0.000 0.908 406 S CB -0.543 62.501 63.200 -0.260 0.000 0.803 406 S HN 0.858 nan 8.310 nan 0.000 0.504 407 T N 0.383 114.961 114.554 0.039 0.000 2.884 407 T HA 0.412 4.634 4.350 -0.212 0.000 0.298 407 T C -1.982 172.717 174.700 -0.001 0.000 0.998 407 T CA -1.466 60.655 62.100 0.035 0.000 1.124 407 T CB 0.961 69.875 68.868 0.076 0.000 0.931 407 T HN -0.120 nan 8.240 nan 0.000 0.531 408 P HA -0.141 nan 4.420 nan 0.000 0.216 408 P C 1.551 178.789 177.300 -0.104 0.000 1.150 408 P CA 1.083 64.028 63.100 -0.259 0.000 0.843 408 P CB 0.110 31.626 31.700 -0.307 0.000 0.787 409 K N -0.732 119.666 120.400 -0.004 0.000 1.987 409 K HA -0.268 3.925 4.320 -0.212 0.000 0.216 409 K C 2.282 178.894 176.600 0.020 0.000 1.051 409 K CA 1.656 57.960 56.287 0.028 0.000 0.942 409 K CB -0.798 31.742 32.500 0.067 0.000 0.722 409 K HN 0.168 nan 8.250 nan 0.000 0.444 410 H N 0.587 119.642 119.070 -0.026 0.000 2.423 410 H HA -0.039 4.389 4.556 -0.212 0.000 0.297 410 H C 2.004 177.292 175.328 -0.067 0.000 1.075 410 H CA 1.424 57.442 56.048 -0.051 0.000 1.342 410 H CB 0.112 29.881 29.762 0.011 0.000 1.395 410 H HN 0.246 nan 8.280 nan 0.000 0.530 411 L N 0.452 121.666 121.223 -0.015 0.000 2.291 411 L HA -0.091 4.122 4.340 -0.212 0.000 0.214 411 L C 2.532 179.320 176.870 -0.138 0.000 1.120 411 L CA 1.078 55.876 54.840 -0.070 0.000 0.799 411 L CB -0.177 41.856 42.059 -0.043 0.000 0.925 411 L HN 0.305 nan 8.230 nan 0.000 0.446 412 E N 0.590 120.710 120.200 -0.134 0.000 2.122 412 E HA -0.153 4.069 4.350 -0.212 0.000 0.190 412 E C 2.072 178.593 176.600 -0.131 0.000 0.977 412 E CA 0.648 56.985 56.400 -0.106 0.000 0.820 412 E CB 0.235 29.900 29.700 -0.059 0.000 0.770 412 E HN 0.267 nan 8.360 nan 0.000 0.462 413 K N 0.512 120.797 120.400 -0.193 0.000 2.209 413 K HA -0.095 4.097 4.320 -0.212 0.000 0.204 413 K C 1.888 178.326 176.600 -0.271 0.000 1.048 413 K CA 1.414 57.560 56.287 -0.234 0.000 0.940 413 K CB -0.164 32.156 32.500 -0.299 0.000 0.729 413 K HN 0.450 nan 8.250 nan 0.000 0.451 414 I N -3.711 116.671 120.570 -0.314 0.000 3.904 414 I HA 0.298 4.340 4.170 -0.212 0.000 0.333 414 I C 0.775 176.833 176.117 -0.098 0.000 1.361 414 I CA 0.151 61.318 61.300 -0.222 0.000 1.116 414 I CB 0.211 38.067 38.000 -0.240 0.000 1.028 414 I HN 0.130 nan 8.210 nan 0.000 0.398 415 G N 2.267 111.008 108.800 -0.098 0.000 2.189 415 G HA2 -0.294 3.539 3.960 -0.212 0.000 0.267 415 G HA3 -0.294 3.539 3.960 -0.212 0.000 0.267 415 G C 0.665 175.526 174.900 -0.064 0.000 0.975 415 G CA 0.577 45.641 45.100 -0.060 0.000 0.644 415 G HN 0.489 nan 8.290 nan 0.000 0.537 416 L N -0.885 120.289 121.223 -0.081 0.000 2.599 416 L HA 0.399 4.611 4.340 -0.212 0.000 0.230 416 L C 0.725 177.536 176.870 -0.098 0.000 1.141 416 L CA 0.259 55.033 54.840 -0.110 0.000 0.877 416 L CB 0.257 42.251 42.059 -0.108 0.000 1.009 416 L HN 0.256 nan 8.230 nan 0.000 0.447 417 L N 0.078 121.251 121.223 -0.082 0.000 2.529 417 L HA 0.244 4.457 4.340 -0.212 0.000 0.260 417 L C 0.519 177.373 176.870 -0.026 0.000 0.997 417 L CA -0.599 54.199 54.840 -0.070 0.000 0.885 417 L CB 0.685 42.663 42.059 -0.136 0.000 1.185 417 L HN -0.129 nan 8.230 nan 0.000 0.442 418 K N 2.334 122.731 120.400 -0.004 0.000 2.037 418 K HA -0.066 4.127 4.320 -0.212 0.000 0.224 418 K C -0.287 176.338 176.600 0.041 0.000 0.963 418 K CA 1.573 57.867 56.287 0.012 0.000 1.063 418 K CB -1.066 31.442 32.500 0.013 0.000 0.779 418 K HN 0.629 nan 8.250 nan 0.000 0.512 419 D N -1.143 119.293 120.400 0.059 0.000 2.280 419 D HA 0.329 4.841 4.640 -0.212 0.000 0.236 419 D C -1.188 175.196 176.300 0.140 0.000 1.082 419 D CA -0.649 53.395 54.000 0.073 0.000 0.834 419 D CB 0.657 41.478 40.800 0.036 0.000 1.100 419 D HN 0.384 nan 8.370 nan 0.000 0.486 420 Y N 2.085 122.377 120.300 -0.012 0.000 2.396 420 Y HA 0.431 4.854 4.550 -0.212 0.000 0.332 420 Y C -1.419 174.473 175.900 -0.014 0.000 1.034 420 Y CA -1.192 56.902 58.100 -0.011 0.000 1.057 420 Y CB 1.852 40.308 38.460 -0.007 0.000 1.220 420 Y HN 0.508 nan 8.280 nan 0.000 0.440 421 V N 4.626 124.298 119.914 -0.403 0.000 2.384 421 V HA 0.454 4.446 4.120 -0.212 0.000 0.287 421 V C 0.593 176.427 176.094 -0.433 0.000 1.020 421 V CA -0.834 61.294 62.300 -0.286 0.000 0.850 421 V CB 1.318 33.026 31.823 -0.191 0.000 0.987 421 V HN 0.898 nan 8.190 nan 0.000 0.436 422 R N 2.480 122.854 120.500 -0.209 0.000 2.397 422 R HA -0.082 4.131 4.340 -0.212 0.000 0.213 422 R C 0.821 177.026 176.300 -0.159 0.000 1.102 422 R CA 1.457 57.478 56.100 -0.133 0.000 1.040 422 R CB -1.049 29.253 30.300 0.002 0.000 0.844 422 R HN 0.813 nan 8.270 nan 0.000 0.478 423 D N 0.014 120.300 120.400 -0.190 0.000 3.643 423 D HA -0.336 4.177 4.640 -0.212 0.000 0.495 423 D C 0.538 176.753 176.300 -0.142 0.000 0.524 423 D CA 2.451 56.347 54.000 -0.175 0.000 1.287 423 D CB -0.747 39.913 40.800 -0.233 0.000 0.324 423 D HN 0.515 nan 8.370 nan 0.000 0.229 424 D N -2.710 117.587 120.400 -0.172 0.000 1.422 424 D HA -0.058 4.455 4.640 -0.212 0.000 0.858 424 D C 0.565 176.739 176.300 -0.210 0.000 0.332 424 D CA 0.391 54.307 54.000 -0.141 0.000 1.358 424 D CB -0.525 40.206 40.800 -0.114 0.000 1.120 424 D HN 0.070 nan 8.370 nan 0.000 0.376 425 E N 0.471 120.453 120.200 -0.364 0.000 2.479 425 E HA 0.343 4.565 4.350 -0.212 0.000 0.193 425 E C 1.400 177.709 176.600 -0.486 0.000 1.049 425 E CA 0.746 56.750 56.400 -0.659 0.000 0.870 425 E CB 0.538 29.354 29.700 -1.472 0.000 0.944 425 E HN 0.377 nan 8.360 nan 0.000 0.492 426 A N 0.728 123.367 122.820 -0.301 0.000 2.178 426 A HA 0.004 4.196 4.320 -0.212 0.000 0.211 426 A C 2.088 179.639 177.584 -0.054 0.000 1.157 426 A CA 0.362 52.292 52.037 -0.177 0.000 0.780 426 A CB -0.121 18.708 19.000 -0.284 0.000 0.828 426 A HN 0.011 nan 8.150 nan 0.000 0.476 427 R N -0.159 120.285 120.500 -0.093 0.000 2.127 427 R HA 0.024 4.236 4.340 -0.212 0.000 0.217 427 R C 1.288 177.552 176.300 -0.060 0.000 1.074 427 R CA 0.880 56.954 56.100 -0.042 0.000 0.991 427 R CB -0.102 30.160 30.300 -0.064 0.000 0.895 427 R HN 0.404 nan 8.270 nan 0.000 0.450 428 I N 1.107 121.591 120.570 -0.144 0.000 2.676 428 I HA -0.163 3.880 4.170 -0.212 0.000 0.259 428 I C 0.918 176.971 176.117 -0.107 0.000 1.194 428 I CA 1.222 62.367 61.300 -0.259 0.000 1.473 428 I CB -1.047 36.606 38.000 -0.578 0.000 1.096 428 I HN 0.214 nan 8.210 nan 0.000 0.443 429 N N 0.085 118.803 118.700 0.029 0.000 2.322 429 N HA -0.097 4.516 4.740 -0.212 0.000 0.194 429 N C 1.598 177.220 175.510 0.186 0.000 1.126 429 N CA -0.049 53.088 53.050 0.146 0.000 0.845 429 N CB 0.387 38.974 38.487 0.167 0.000 0.976 429 N HN 0.243 nan 8.380 nan 0.000 0.475 430 Q N 0.340 120.229 119.800 0.148 0.000 2.511 430 Q HA 0.228 4.440 4.340 -0.212 0.000 0.236 430 Q C 1.634 177.733 176.000 0.166 0.000 0.893 430 Q CA 0.444 56.335 55.803 0.146 0.000 0.947 430 Q CB 0.141 28.945 28.738 0.111 0.000 1.110 430 Q HN 0.206 nan 8.270 nan 0.000 0.591 431 L N -0.102 121.212 121.223 0.152 0.000 2.027 431 L HA -0.038 4.175 4.340 -0.212 0.000 0.206 431 L C 2.134 179.245 176.870 0.402 0.000 1.074 431 L CA 1.375 56.359 54.840 0.240 0.000 0.745 431 L CB -0.527 41.630 42.059 0.162 0.000 0.898 431 L HN 0.226 nan 8.230 nan 0.000 0.433 432 F N 0.071 120.115 119.950 0.157 0.000 2.202 432 F HA -0.255 4.145 4.527 -0.211 0.000 0.301 432 F C 2.263 178.172 175.800 0.181 0.000 1.082 432 F CA 1.239 59.324 58.000 0.142 0.000 1.313 432 F CB 0.078 39.094 39.000 0.027 0.000 1.024 432 F HN -0.069 nan 8.300 nan 0.000 0.495 433 L N -0.434 120.881 121.223 0.153 0.000 2.005 433 L HA -0.210 4.002 4.340 -0.212 0.000 0.207 433 L C 2.185 179.096 176.870 0.069 0.000 1.072 433 L CA 1.960 56.851 54.840 0.084 0.000 0.744 433 L CB -0.774 41.380 42.059 0.158 0.000 0.895 433 L HN 0.083 nan 8.230 nan 0.000 0.433 434 T N -0.246 114.421 114.554 0.189 0.000 3.051 434 T HA -0.065 4.157 4.350 -0.212 0.000 0.269 434 T C 1.620 176.507 174.700 0.312 0.000 1.127 434 T CA 0.859 63.120 62.100 0.269 0.000 1.107 434 T CB -0.059 69.047 68.868 0.397 0.000 0.898 434 T HN 0.463 nan 8.240 nan 0.000 0.517 435 A N 1.168 124.067 122.820 0.131 0.000 1.935 435 A HA 0.268 4.460 4.320 -0.212 0.000 0.214 435 A C 1.860 179.288 177.584 -0.260 0.000 1.178 435 A CA 0.462 52.380 52.037 -0.198 0.000 0.640 435 A CB -0.359 18.512 19.000 -0.215 0.000 0.825 435 A HN 0.489 nan 8.150 nan 0.000 0.447 436 L N -0.420 120.642 121.223 -0.269 0.000 2.693 436 L HA 0.071 4.284 4.340 -0.212 0.000 0.242 436 L C 0.793 177.578 176.870 -0.143 0.000 1.157 436 L CA 0.204 54.899 54.840 -0.242 0.000 0.929 436 L CB -0.172 41.819 42.059 -0.114 0.000 1.103 436 L HN 0.309 nan 8.230 nan 0.000 0.430 437 D N -1.304 119.053 120.400 -0.072 0.000 2.829 437 D HA 0.021 4.534 4.640 -0.212 0.000 0.250 437 D C 1.849 178.258 176.300 0.181 0.000 1.304 437 D CA 0.237 54.255 54.000 0.030 0.000 1.197 437 D CB 0.536 41.358 40.800 0.037 0.000 1.501 437 D HN -0.077 nan 8.370 nan 0.000 0.424 438 K N 0.825 121.349 120.400 0.206 0.000 2.137 438 K HA 0.219 4.412 4.320 -0.212 0.000 0.202 438 K C 2.224 178.989 176.600 0.275 0.000 1.052 438 K CA 0.390 56.927 56.287 0.417 0.000 0.961 438 K CB 0.366 33.148 32.500 0.470 0.000 0.741 438 K HN 0.241 nan 8.250 nan 0.000 0.452 439 I N 0.367 120.888 120.570 -0.083 0.000 2.429 439 I HA -0.152 3.890 4.170 -0.212 0.000 0.247 439 I C 2.105 178.155 176.117 -0.111 0.000 1.099 439 I CA 0.331 61.525 61.300 -0.178 0.000 1.422 439 I CB -0.113 37.634 38.000 -0.420 0.000 1.112 439 I HN -0.237 nan 8.210 nan 0.000 0.430 440 V N 1.068 120.861 119.914 -0.201 0.000 2.370 440 V HA -0.347 3.646 4.120 -0.212 0.000 0.252 440 V C 2.328 178.246 176.094 -0.293 0.000 1.068 440 V CA 2.171 64.240 62.300 -0.385 0.000 1.061 440 V CB -0.754 30.515 31.823 -0.924 0.000 0.656 440 V HN 0.367 nan 8.190 nan 0.000 0.455 441 F N 0.306 120.075 119.950 -0.301 0.000 2.102 441 F HA -0.180 4.219 4.527 -0.214 0.000 0.298 441 F C 2.095 177.777 175.800 -0.198 0.000 1.105 441 F CA 1.556 59.394 58.000 -0.270 0.000 1.239 441 F CB -0.373 38.337 39.000 -0.484 0.000 0.991 441 F HN 0.040 nan 8.300 nan 0.000 0.474 442 L N 0.676 121.820 121.223 -0.132 0.000 2.030 442 L HA -0.294 3.918 4.340 -0.212 0.000 0.222 442 L C -0.329 176.430 176.870 -0.186 0.000 1.082 442 L CA 2.284 57.044 54.840 -0.133 0.000 0.785 442 L CB -2.633 39.448 42.059 0.036 0.000 0.895 442 L HN 0.196 nan 8.230 nan 0.000 0.439 443 P HA -0.204 nan 4.420 nan 0.000 0.220 443 P C 1.693 178.824 177.300 -0.281 0.000 1.152 443 P CA 1.361 64.350 63.100 -0.185 0.000 0.812 443 P CB -0.117 31.522 31.700 -0.101 0.000 0.792 444 F N 2.064 121.760 119.950 -0.422 0.000 2.075 444 F HA -0.091 4.308 4.527 -0.214 0.000 0.297 444 F C 2.365 177.802 175.800 -0.605 0.000 1.113 444 F CA 2.021 59.753 58.000 -0.447 0.000 1.218 444 F CB -0.953 37.805 39.000 -0.403 0.000 0.984 444 F HN -0.090 nan 8.300 nan 0.000 0.472 445 A N 0.008 122.411 122.820 -0.695 0.000 1.972 445 A HA -0.193 3.999 4.320 -0.212 0.000 0.219 445 A C 2.141 179.507 177.584 -0.365 0.000 1.169 445 A CA 1.451 53.161 52.037 -0.545 0.000 0.635 445 A CB -1.442 17.194 19.000 -0.606 0.000 0.810 445 A HN 0.546 nan 8.150 nan 0.000 0.446 446 F N 1.703 121.305 119.950 -0.580 0.000 2.163 446 F HA -0.107 4.292 4.527 -0.213 0.000 0.297 446 F C 2.836 178.187 175.800 -0.749 0.000 1.094 446 F CA 1.821 59.458 58.000 -0.605 0.000 1.290 446 F CB -1.048 37.558 39.000 -0.656 0.000 1.017 446 F HN 0.416 nan 8.300 nan 0.000 0.483 447 T N -2.048 112.116 114.554 -0.651 0.000 2.867 447 T HA -0.189 4.034 4.350 -0.212 0.000 0.268 447 T C 2.089 176.388 174.700 -0.668 0.000 1.057 447 T CA 1.119 62.762 62.100 -0.761 0.000 1.136 447 T CB -0.381 68.041 68.868 -0.743 0.000 0.874 447 T HN 0.048 nan 8.240 nan 0.000 0.466 448 M N 1.992 121.136 119.600 -0.759 0.000 2.110 448 M HA -0.118 4.234 4.480 -0.212 0.000 0.257 448 M C 1.869 177.929 176.300 -0.401 0.000 1.071 448 M CA 1.898 56.809 55.300 -0.648 0.000 1.096 448 M CB -1.297 30.705 32.600 -0.998 0.000 1.300 448 M HN 0.274 nan 8.290 nan 0.000 0.411 449 D N -0.576 119.528 120.400 -0.493 0.000 2.249 449 D HA -0.036 4.476 4.640 -0.212 0.000 0.205 449 D C 1.987 177.631 176.300 -1.093 0.000 0.962 449 D CA 0.700 54.273 54.000 -0.713 0.000 0.860 449 D CB -0.101 40.186 40.800 -0.856 0.000 0.955 449 D HN 0.297 nan 8.370 nan 0.000 0.505 450 K N -0.560 119.319 120.400 -0.869 0.000 2.147 450 K HA -0.173 4.019 4.320 -0.212 0.000 0.205 450 K C 1.874 178.287 176.600 -0.312 0.000 1.049 450 K CA 0.714 56.632 56.287 -0.615 0.000 0.936 450 K CB -0.007 32.058 32.500 -0.724 0.000 0.722 450 K HN 0.169 nan 8.250 nan 0.000 0.446 451 Y N 0.977 121.016 120.300 -0.435 0.000 2.206 451 Y HA -0.075 4.347 4.550 -0.214 0.000 0.292 451 Y C 1.854 177.592 175.900 -0.271 0.000 1.123 451 Y CA 1.344 59.266 58.100 -0.297 0.000 1.142 451 Y CB 0.062 38.375 38.460 -0.246 0.000 1.006 451 Y HN -0.122 nan 8.280 nan 0.000 0.518 452 R N -1.171 119.090 120.500 -0.398 0.000 2.189 452 R HA -0.161 4.051 4.340 -0.212 0.000 0.218 452 R C 1.831 177.687 176.300 -0.740 0.000 1.074 452 R CA 1.103 56.807 56.100 -0.660 0.000 0.991 452 R CB -0.374 29.689 30.300 -0.396 0.000 0.883 452 R HN 0.401 nan 8.270 nan 0.000 0.457 453 W N 0.657 121.710 121.300 -0.411 0.000 2.409 453 W HA -0.060 4.472 4.660 -0.214 0.000 0.299 453 W C 2.508 178.904 176.519 -0.205 0.000 1.203 453 W CA 1.216 58.436 57.345 -0.208 0.000 1.298 453 W CB -1.149 28.291 29.460 -0.033 0.000 1.127 453 W HN 0.106 nan 8.180 nan 0.000 0.528 454 S N -0.381 115.310 115.700 -0.014 0.000 2.474 454 S HA -0.098 4.245 4.470 -0.212 0.000 0.235 454 S C 1.826 176.334 174.600 -0.154 0.000 0.997 454 S CA 0.941 59.103 58.200 -0.065 0.000 0.949 454 S CB -0.677 62.472 63.200 -0.084 0.000 0.766 454 S HN 0.190 nan 8.310 nan 0.000 0.517 455 L N -0.507 120.515 121.223 -0.334 0.000 2.116 455 L HA 0.200 4.413 4.340 -0.212 0.000 0.200 455 L C 2.466 179.312 176.870 -0.041 0.000 1.084 455 L CA 0.992 55.630 54.840 -0.337 0.000 0.766 455 L CB -0.834 40.815 42.059 -0.684 0.000 0.930 455 L HN 0.258 nan 8.230 nan 0.000 0.453 456 F N 0.716 120.558 119.950 -0.181 0.000 2.111 456 F HA -0.252 4.146 4.527 -0.214 0.000 0.300 456 F C 1.178 176.917 175.800 -0.102 0.000 1.088 456 F CA 0.566 58.463 58.000 -0.173 0.000 1.243 456 F CB -0.278 38.607 39.000 -0.192 0.000 0.996 456 F HN 0.103 nan 8.300 nan 0.000 0.483 457 R N 0.394 120.972 120.500 0.131 0.000 2.221 457 R HA 0.180 4.393 4.340 -0.212 0.000 0.327 457 R C 0.820 177.157 176.300 0.061 0.000 1.033 457 R CA -0.038 56.104 56.100 0.069 0.000 0.887 457 R CB 0.897 31.230 30.300 0.054 0.000 1.057 457 R HN 0.038 nan 8.270 nan 0.000 0.455 458 G N 2.584 111.423 108.800 0.064 0.000 3.327 458 G HA2 -0.168 3.665 3.960 -0.212 0.000 0.218 458 G HA3 -0.168 3.665 3.960 -0.212 0.000 0.218 458 G C 0.465 175.416 174.900 0.085 0.000 1.261 458 G CA -0.002 45.148 45.100 0.084 0.000 1.438 458 G HN 0.732 nan 8.290 nan 0.000 0.530 459 E N -1.003 119.237 120.200 0.067 0.000 2.347 459 E HA 0.018 4.241 4.350 -0.212 0.000 0.196 459 E C 0.448 177.103 176.600 0.092 0.000 1.008 459 E CA 0.198 56.639 56.400 0.067 0.000 0.852 459 E CB 0.412 30.142 29.700 0.049 0.000 0.783 459 E HN 0.332 nan 8.360 nan 0.000 0.505 460 V N 1.593 121.580 119.914 0.122 0.000 2.715 460 V HA 0.183 4.176 4.120 -0.212 0.000 0.310 460 V C -0.549 175.748 176.094 0.338 0.000 1.054 460 V CA -1.018 61.402 62.300 0.199 0.000 0.928 460 V CB 2.045 33.956 31.823 0.148 0.000 1.007 460 V HN -0.077 nan 8.190 nan 0.000 0.437 461 D N 2.059 122.639 120.400 0.300 0.000 2.210 461 D HA 0.355 4.867 4.640 -0.212 0.000 0.249 461 D C 0.770 177.192 176.300 0.202 0.000 1.062 461 D CA -0.547 53.585 54.000 0.221 0.000 0.891 461 D CB 1.665 42.539 40.800 0.123 0.000 1.186 461 D HN 0.332 nan 8.370 nan 0.000 0.432 462 K N 1.442 121.746 120.400 -0.160 0.000 2.127 462 K HA -0.169 4.024 4.320 -0.212 0.000 0.208 462 K C 1.620 178.035 176.600 -0.309 0.000 1.047 462 K CA 1.359 57.196 56.287 -0.750 0.000 0.927 462 K CB -0.281 31.812 32.500 -0.679 0.000 0.716 462 K HN 0.460 nan 8.250 nan 0.000 0.450 463 A N 0.193 122.967 122.820 -0.076 0.000 2.172 463 A HA -0.084 4.109 4.320 -0.212 0.000 0.216 463 A C 0.866 178.533 177.584 0.138 0.000 1.154 463 A CA 1.368 53.418 52.037 0.021 0.000 0.701 463 A CB -0.412 18.605 19.000 0.028 0.000 0.789 463 A HN 0.503 nan 8.150 nan 0.000 0.465 464 N N -2.252 116.590 118.700 0.236 0.000 2.235 464 N HA 0.066 4.679 4.740 -0.212 0.000 0.231 464 N C 0.420 176.224 175.510 0.490 0.000 1.177 464 N CA -0.400 52.839 53.050 0.315 0.000 0.874 464 N CB 0.200 38.843 38.487 0.260 0.000 1.097 464 N HN 0.490 nan 8.380 nan 0.000 0.518 465 W N 1.611 123.056 121.300 0.243 0.000 2.358 465 W HA 0.017 4.548 4.660 -0.215 0.000 0.303 465 W C 2.057 178.855 176.519 0.466 0.000 1.208 465 W CA 0.657 58.224 57.345 0.370 0.000 1.274 465 W CB -0.639 29.045 29.460 0.372 0.000 1.138 465 W HN 0.240 nan 8.180 nan 0.000 0.515 466 N N -1.264 117.807 118.700 0.618 0.000 2.354 466 N HA -0.106 4.506 4.740 -0.212 0.000 0.179 466 N C 1.281 177.022 175.510 0.387 0.000 1.021 466 N CA 1.210 54.525 53.050 0.442 0.000 0.887 466 N CB -0.129 38.633 38.487 0.458 0.000 0.974 466 N HN 0.020 nan 8.380 nan 0.000 0.437 467 c N 0.163 118.999 118.600 0.394 0.000 2.485 467 c HA 0.258 4.701 4.570 -0.212 0.000 0.277 467 c C 2.782 177.045 174.090 0.288 0.000 1.376 467 c CA 0.147 56.694 56.329 0.364 0.000 1.759 467 c CB -0.821 41.865 42.510 0.293 0.000 1.970 467 c HN 0.497 nan 8.230 nan 0.000 0.509 468 A N 0.147 123.150 122.820 0.305 0.000 1.972 468 A HA -0.173 4.020 4.320 -0.212 0.000 0.219 468 A C 1.843 179.548 177.584 0.201 0.000 1.169 468 A CA 1.432 53.631 52.037 0.271 0.000 0.635 468 A CB -0.706 18.486 19.000 0.320 0.000 0.810 468 A HN 0.531 nan 8.150 nan 0.000 0.446 469 F N -0.878 119.006 119.950 -0.110 0.000 2.084 469 F HA -0.133 4.267 4.527 -0.211 0.000 0.296 469 F C 2.005 177.467 175.800 -0.563 0.000 1.111 469 F CA 1.739 59.272 58.000 -0.779 0.000 1.224 469 F CB -0.542 37.619 39.000 -1.398 0.000 0.991 469 F HN 0.389 nan 8.300 nan 0.000 0.471 470 W N 0.465 121.754 121.300 -0.018 0.000 2.402 470 W HA -0.118 4.415 4.660 -0.212 0.000 0.286 470 W C 2.373 178.853 176.519 -0.064 0.000 1.221 470 W CA 0.861 58.167 57.345 -0.066 0.000 1.257 470 W CB -0.413 29.090 29.460 0.071 0.000 1.120 470 W HN -0.087 nan 8.180 nan 0.000 0.551 471 K N 0.674 121.189 120.400 0.192 0.000 2.211 471 K HA -0.130 4.062 4.320 -0.212 0.000 0.203 471 K C 1.634 178.294 176.600 0.101 0.000 1.050 471 K CA 1.173 57.555 56.287 0.158 0.000 0.945 471 K CB -0.623 31.970 32.500 0.155 0.000 0.732 471 K HN 0.103 nan 8.250 nan 0.000 0.451 472 L N 0.441 121.656 121.223 -0.015 0.000 2.270 472 L HA 0.109 4.322 4.340 -0.212 0.000 0.210 472 L C 1.752 178.546 176.870 -0.127 0.000 1.104 472 L CA 1.224 56.020 54.840 -0.073 0.000 0.804 472 L CB -0.258 41.667 42.059 -0.223 0.000 0.937 472 L HN 0.057 nan 8.230 nan 0.000 0.450 473 R N -0.577 119.784 120.500 -0.232 0.000 2.153 473 R HA -0.036 4.176 4.340 -0.212 0.000 0.218 473 R C 1.688 178.007 176.300 0.032 0.000 1.072 473 R CA 0.923 56.921 56.100 -0.170 0.000 0.990 473 R CB -0.697 29.514 30.300 -0.149 0.000 0.889 473 R HN 0.411 nan 8.270 nan 0.000 0.452 474 D N 1.103 121.558 120.400 0.092 0.000 2.107 474 D HA -0.112 4.401 4.640 -0.212 0.000 0.204 474 D C 1.427 177.896 176.300 0.282 0.000 0.978 474 D CA 1.194 55.267 54.000 0.120 0.000 0.852 474 D CB 0.067 40.974 40.800 0.178 0.000 1.008 474 D HN 0.154 nan 8.370 nan 0.000 0.458 475 E N -1.019 119.360 120.200 0.298 0.000 2.068 475 E HA -0.252 3.970 4.350 -0.212 0.000 0.207 475 E C 2.325 179.124 176.600 0.332 0.000 1.032 475 E CA 1.676 58.258 56.400 0.304 0.000 0.839 475 E CB -0.347 29.476 29.700 0.206 0.000 0.758 475 E HN 0.492 nan 8.360 nan 0.000 0.457 476 Y N -0.582 119.832 120.300 0.189 0.000 2.314 476 Y HA 0.019 4.442 4.550 -0.211 0.000 0.294 476 Y C 2.508 178.595 175.900 0.312 0.000 1.119 476 Y CA 0.710 58.926 58.100 0.193 0.000 1.179 476 Y CB 0.466 38.825 38.460 -0.167 0.000 1.025 476 Y HN -0.074 nan 8.280 nan 0.000 0.541 477 S N -1.552 114.327 115.700 0.299 0.000 2.502 477 S HA 0.199 4.542 4.470 -0.212 0.000 0.215 477 S C 1.351 175.985 174.600 0.057 0.000 1.009 477 S CA 0.545 58.939 58.200 0.323 0.000 0.908 477 S CB 0.326 63.685 63.200 0.265 0.000 0.801 477 S HN 0.589 nan 8.310 nan 0.000 0.505 478 G N 1.659 109.983 108.800 -0.793 0.000 2.272 478 G HA2 -0.237 3.595 3.960 -0.212 0.000 0.280 478 G HA3 -0.237 3.595 3.960 -0.212 0.000 0.280 478 G C -0.382 174.202 174.900 -0.526 0.000 1.067 478 G CA 0.066 44.021 45.100 -1.909 0.000 0.902 478 G HN 0.368 nan 8.290 nan 0.000 0.500 479 I N 0.071 120.509 120.570 -0.221 0.000 2.689 479 I HA 0.722 4.765 4.170 -0.212 0.000 0.299 479 I C -0.077 176.019 176.117 -0.035 0.000 1.059 479 I CA -1.172 60.094 61.300 -0.057 0.000 1.055 479 I CB 2.035 40.109 38.000 0.123 0.000 1.243 479 I HN 0.481 nan 8.210 nan 0.000 0.425 480 E N 5.058 125.191 120.200 -0.111 0.000 2.413 480 E HA 0.623 4.845 4.350 -0.212 0.000 0.277 480 E C -2.969 173.352 176.600 -0.465 0.000 0.958 480 E CA -2.243 54.023 56.400 -0.225 0.000 0.779 480 E CB 1.881 31.449 29.700 -0.221 0.000 1.278 480 E HN 0.068 nan 8.360 nan 0.000 0.456 481 P HA 0.017 nan 4.420 nan 0.000 0.268 481 P C -1.882 174.793 177.300 -1.042 0.000 1.208 481 P CA -0.844 61.522 63.100 -1.224 0.000 0.777 481 P CB 0.289 31.177 31.700 -1.355 0.000 0.875 482 P HA -0.034 nan 4.420 nan 0.000 0.225 482 P C 0.318 177.162 177.300 -0.759 0.000 1.156 482 P CA 1.126 63.565 63.100 -1.101 0.000 0.787 482 P CB 0.539 31.163 31.700 -1.793 0.000 0.802 483 V N -0.331 119.121 119.914 -0.770 0.000 3.126 483 V HA 0.327 4.320 4.120 -0.212 0.000 0.314 483 V C -0.432 175.423 176.094 -0.399 0.000 1.138 483 V CA -1.293 60.736 62.300 -0.451 0.000 1.034 483 V CB 2.671 34.301 31.823 -0.322 0.000 1.075 483 V HN -0.332 nan 8.190 nan 0.000 0.442 484 V N 4.981 124.746 119.914 -0.247 0.000 2.715 484 V HA 0.484 4.477 4.120 -0.212 0.000 0.299 484 V C 0.330 176.337 176.094 -0.144 0.000 1.054 484 V CA -0.137 62.046 62.300 -0.196 0.000 1.077 484 V CB 0.891 32.639 31.823 -0.125 0.000 0.972 484 V HN 0.824 nan 8.190 nan 0.000 0.484 485 R N 2.459 122.881 120.500 -0.129 0.000 2.807 485 R HA 0.721 4.933 4.340 -0.212 0.000 0.276 485 R C -0.395 175.944 176.300 0.066 0.000 0.979 485 R CA -0.454 55.642 56.100 -0.007 0.000 0.928 485 R CB 2.318 32.618 30.300 -0.001 0.000 1.191 485 R HN 0.867 nan 8.270 nan 0.000 0.471 486 S N -0.480 115.300 115.700 0.132 0.000 2.811 486 S HA 0.295 4.638 4.470 -0.212 0.000 0.311 486 S C 0.383 175.108 174.600 0.210 0.000 1.152 486 S CA -0.797 57.493 58.200 0.150 0.000 0.864 486 S CB 1.688 64.955 63.200 0.112 0.000 1.226 486 S HN 0.490 nan 8.310 nan 0.000 0.541 487 E N 0.172 120.487 120.200 0.192 0.000 2.516 487 E HA 0.063 4.286 4.350 -0.212 0.000 0.199 487 E C 0.996 177.707 176.600 0.186 0.000 1.069 487 E CA 0.387 56.915 56.400 0.214 0.000 0.876 487 E CB -0.181 29.625 29.700 0.176 0.000 0.843 487 E HN 0.467 nan 8.360 nan 0.000 0.530 488 K N 0.781 121.277 120.400 0.160 0.000 2.167 488 K HA -0.029 4.163 4.320 -0.212 0.000 0.203 488 K C 0.093 176.795 176.600 0.170 0.000 1.052 488 K CA 0.602 56.971 56.287 0.136 0.000 0.956 488 K CB 0.183 32.755 32.500 0.120 0.000 0.735 488 K HN 0.099 nan 8.250 nan 0.000 0.451 489 D N -1.469 119.058 120.400 0.212 0.000 2.348 489 D HA 0.230 4.743 4.640 -0.212 0.000 0.249 489 D C -0.965 175.550 176.300 0.359 0.000 1.110 489 D CA -0.243 53.904 54.000 0.246 0.000 0.967 489 D CB 0.799 41.745 40.800 0.243 0.000 1.139 489 D HN -0.115 nan 8.370 nan 0.000 0.466 490 F N 1.091 121.108 119.950 0.111 0.000 2.949 490 F HA 0.245 4.643 4.527 -0.215 0.000 0.376 490 F C -0.255 175.516 175.800 -0.047 0.000 1.205 490 F CA -0.781 57.250 58.000 0.052 0.000 1.155 490 F CB 1.084 40.111 39.000 0.045 0.000 1.495 490 F HN 0.214 nan 8.300 nan 0.000 0.551 491 D N 2.995 123.181 120.400 -0.357 0.000 2.213 491 D HA -0.003 4.510 4.640 -0.212 0.000 0.205 491 D C 2.230 177.977 176.300 -0.923 0.000 0.961 491 D CA 1.107 54.904 54.000 -0.338 0.000 0.853 491 D CB 0.117 41.118 40.800 0.336 0.000 0.967 491 D HN 0.568 nan 8.370 nan 0.000 0.496 492 A N 1.792 123.575 122.820 -1.729 0.000 2.009 492 A HA -0.176 4.017 4.320 -0.212 0.000 0.222 492 A C -0.328 176.719 177.584 -0.894 0.000 1.175 492 A CA 1.420 52.429 52.037 -1.714 0.000 0.651 492 A CB -1.456 16.584 19.000 -1.600 0.000 0.815 492 A HN 0.216 nan 8.150 nan 0.000 0.459 493 P HA 0.060 nan 4.420 nan 0.000 0.233 493 P C 1.309 178.521 177.300 -0.148 0.000 1.167 493 P CA 1.102 63.989 63.100 -0.355 0.000 0.770 493 P CB 0.031 31.592 31.700 -0.231 0.000 0.837 494 A N -0.746 121.910 122.820 -0.273 0.000 2.172 494 A HA -0.104 4.089 4.320 -0.212 0.000 0.216 494 A C 1.345 179.257 177.584 0.547 0.000 1.154 494 A CA 0.945 52.888 52.037 -0.156 0.000 0.701 494 A CB -0.803 17.607 19.000 -0.983 0.000 0.789 494 A HN 0.017 nan 8.150 nan 0.000 0.465 495 K N -0.550 119.994 120.400 0.240 0.000 2.262 495 K HA 0.303 4.495 4.320 -0.212 0.000 0.282 495 K C 0.414 176.949 176.600 -0.108 0.000 1.066 495 K CA -0.810 55.502 56.287 0.042 0.000 0.901 495 K CB -0.059 32.388 32.500 -0.089 0.000 1.089 495 K HN 0.246 nan 8.250 nan 0.000 0.476 496 Y N 4.420 124.421 120.300 -0.498 0.000 2.038 496 Y HA -0.408 4.010 4.550 -0.219 0.000 0.266 496 Y C 1.034 176.527 175.900 -0.678 0.000 1.220 496 Y CA 2.687 60.076 58.100 -1.184 0.000 1.107 496 Y CB -0.442 37.209 38.460 -1.347 0.000 0.932 496 Y HN 0.925 nan 8.280 nan 0.000 0.500 497 H N -0.787 117.957 119.070 -0.542 0.000 2.489 497 H HA -0.148 4.284 4.556 -0.207 0.000 0.295 497 H C 2.139 177.335 175.328 -0.220 0.000 1.082 497 H CA 1.518 57.355 56.048 -0.353 0.000 1.295 497 H CB -0.240 29.575 29.762 0.088 0.000 1.380 497 H HN 0.336 nan 8.280 nan 0.000 0.548 498 I N -0.390 120.129 120.570 -0.085 0.000 2.333 498 I HA -0.141 3.902 4.170 -0.212 0.000 0.246 498 I C 2.159 178.274 176.117 -0.004 0.000 1.106 498 I CA 0.926 62.240 61.300 0.023 0.000 1.411 498 I CB -0.899 37.053 38.000 -0.081 0.000 1.082 498 I HN 0.142 nan 8.210 nan 0.000 0.420 499 S N 1.110 116.704 115.700 -0.176 0.000 2.368 499 S HA -0.021 4.321 4.470 -0.212 0.000 0.224 499 S C 1.887 176.323 174.600 -0.272 0.000 1.029 499 S CA 1.212 59.316 58.200 -0.161 0.000 0.988 499 S CB -0.178 62.935 63.200 -0.145 0.000 0.838 499 S HN 0.509 nan 8.310 nan 0.000 0.462 500 A N 0.729 123.242 122.820 -0.512 0.000 2.302 500 A HA 0.255 4.447 4.320 -0.212 0.000 0.219 500 A C 0.455 177.883 177.584 -0.259 0.000 1.243 500 A CA 0.190 51.937 52.037 -0.484 0.000 0.856 500 A CB -0.365 18.061 19.000 -0.956 0.000 0.893 500 A HN 0.348 nan 8.150 nan 0.000 0.491 501 D N -0.813 119.500 120.400 -0.145 0.000 2.737 501 D HA -0.137 4.375 4.640 -0.212 0.000 0.238 501 D C -0.816 175.590 176.300 0.175 0.000 1.157 501 D CA 0.874 54.932 54.000 0.097 0.000 0.694 501 D CB -1.524 39.328 40.800 0.086 0.000 1.021 501 D HN 0.192 nan 8.370 nan 0.000 0.420 502 V N 2.232 122.212 119.914 0.110 0.000 2.409 502 V HA 0.263 4.256 4.120 -0.212 0.000 0.291 502 V C 0.651 176.756 176.094 0.018 0.000 1.020 502 V CA -1.011 61.337 62.300 0.079 0.000 0.848 502 V CB 1.736 33.608 31.823 0.082 0.000 0.990 502 V HN 0.281 nan 8.190 nan 0.000 0.430 503 E N 2.822 122.821 120.200 -0.334 0.000 2.467 503 E HA -0.107 4.116 4.350 -0.212 0.000 0.264 503 E C -0.653 175.796 176.600 -0.250 0.000 1.020 503 E CA 0.572 56.452 56.400 -0.867 0.000 0.945 503 E CB 0.685 29.661 29.700 -1.207 0.000 0.942 503 E HN 0.705 nan 8.360 nan 0.000 0.449 504 Y N 3.588 123.731 120.300 -0.262 0.000 2.467 504 Y HA 0.052 4.473 4.550 -0.214 0.000 0.259 504 Y C 1.839 177.757 175.900 0.031 0.000 1.084 504 Y CA -0.045 58.068 58.100 0.021 0.000 1.275 504 Y CB 0.315 38.725 38.460 -0.084 0.000 1.208 504 Y HN 0.576 nan 8.280 nan 0.000 0.511 505 L N 1.605 122.846 121.223 0.029 0.000 2.263 505 L HA -0.232 3.981 4.340 -0.212 0.000 0.216 505 L C 2.512 179.393 176.870 0.018 0.000 1.111 505 L CA 1.766 56.633 54.840 0.046 0.000 0.773 505 L CB -0.422 41.765 42.059 0.214 0.000 0.906 505 L HN 0.262 nan 8.230 nan 0.000 0.439 506 R N -2.126 118.338 120.500 -0.059 0.000 2.105 506 R HA -0.233 3.979 4.340 -0.212 0.000 0.239 506 R C 2.006 178.167 176.300 -0.232 0.000 1.135 506 R CA 2.048 58.065 56.100 -0.138 0.000 0.967 506 R CB -1.207 28.869 30.300 -0.373 0.000 0.861 506 R HN 0.311 nan 8.270 nan 0.000 0.442 507 Y N 1.176 121.428 120.300 -0.080 0.000 2.242 507 Y HA -0.098 4.323 4.550 -0.215 0.000 0.291 507 Y C 2.300 178.318 175.900 0.196 0.000 1.137 507 Y CA 0.912 59.051 58.100 0.066 0.000 1.181 507 Y CB -0.418 37.995 38.460 -0.079 0.000 0.989 507 Y HN 0.069 nan 8.280 nan 0.000 0.527 508 L N 0.411 121.727 121.223 0.155 0.000 2.056 508 L HA -0.108 4.105 4.340 -0.212 0.000 0.207 508 L C 2.307 179.177 176.870 -0.000 0.000 1.078 508 L CA 1.738 56.580 54.840 0.004 0.000 0.749 508 L CB -1.029 40.886 42.059 -0.240 0.000 0.901 508 L HN 0.185 nan 8.230 nan 0.000 0.433 509 V N -2.994 116.899 119.914 -0.036 0.000 2.453 509 V HA -0.140 3.852 4.120 -0.212 0.000 0.247 509 V C 2.522 178.603 176.094 -0.022 0.000 1.048 509 V CA 1.749 64.004 62.300 -0.076 0.000 1.049 509 V CB -1.339 30.461 31.823 -0.038 0.000 0.672 509 V HN 0.600 nan 8.190 nan 0.000 0.457 510 S N 0.176 115.922 115.700 0.077 0.000 2.382 510 S HA -0.136 4.207 4.470 -0.212 0.000 0.228 510 S C 1.764 176.441 174.600 0.127 0.000 1.027 510 S CA 1.831 60.078 58.200 0.078 0.000 0.991 510 S CB -0.777 62.523 63.200 0.167 0.000 0.823 510 S HN 0.695 nan 8.310 nan 0.000 0.469 511 F N 0.648 120.614 119.950 0.028 0.000 2.558 511 F HA 0.219 4.618 4.527 -0.213 0.000 0.298 511 F C 1.889 177.778 175.800 0.148 0.000 1.119 511 F CA 0.337 58.395 58.000 0.098 0.000 1.451 511 F CB 0.006 39.132 39.000 0.210 0.000 1.091 511 F HN 0.251 nan 8.300 nan 0.000 0.563 512 I N -0.397 120.280 120.570 0.179 0.000 2.405 512 I HA -0.200 3.842 4.170 -0.212 0.000 0.236 512 I C 2.199 178.285 176.117 -0.053 0.000 1.071 512 I CA 0.950 62.285 61.300 0.058 0.000 1.398 512 I CB -0.244 37.722 38.000 -0.058 0.000 1.162 512 I HN -0.037 nan 8.210 nan 0.000 0.432 513 I N 1.381 121.802 120.570 -0.249 0.000 3.083 513 I HA -0.264 3.778 4.170 -0.212 0.000 0.273 513 I C 2.496 178.114 176.117 -0.832 0.000 1.297 513 I CA 0.868 61.816 61.300 -0.586 0.000 1.452 513 I CB -0.137 37.385 38.000 -0.797 0.000 1.078 513 I HN 0.411 nan 8.210 nan 0.000 0.484 514 Q N -0.369 119.158 119.800 -0.456 0.000 2.311 514 Q HA -0.164 4.048 4.340 -0.212 0.000 0.203 514 Q C 1.615 177.382 176.000 -0.388 0.000 0.954 514 Q CA 1.304 56.858 55.803 -0.416 0.000 0.885 514 Q CB -0.413 28.047 28.738 -0.464 0.000 0.963 514 Q HN 0.410 nan 8.270 nan 0.000 0.471 515 F N 1.491 121.277 119.950 -0.274 0.000 2.416 515 F HA 0.064 4.464 4.527 -0.212 0.000 0.296 515 F C 2.385 178.133 175.800 -0.087 0.000 1.099 515 F CA 0.840 58.740 58.000 -0.166 0.000 1.427 515 F CB 0.153 39.047 39.000 -0.176 0.000 1.079 515 F HN 0.079 nan 8.300 nan 0.000 0.536 516 Q N -0.475 119.293 119.800 -0.054 0.000 2.083 516 Q HA -0.131 4.081 4.340 -0.212 0.000 0.198 516 Q C 2.201 178.212 176.000 0.019 0.000 0.969 516 Q CA 1.524 57.290 55.803 -0.062 0.000 0.838 516 Q CB -0.370 28.238 28.738 -0.216 0.000 0.900 516 Q HN 0.419 nan 8.270 nan 0.000 0.436 517 F N -0.666 119.167 119.950 -0.195 0.000 2.075 517 F HA -0.296 4.103 4.527 -0.213 0.000 0.297 517 F C 2.381 178.128 175.800 -0.089 0.000 1.113 517 F CA 0.848 58.569 58.000 -0.465 0.000 1.218 517 F CB -0.371 38.192 39.000 -0.728 0.000 0.984 517 F HN 0.136 nan 8.300 nan 0.000 0.472 518 Y N 1.552 121.855 120.300 0.004 0.000 2.128 518 Y HA -0.307 4.115 4.550 -0.212 0.000 0.284 518 Y C 2.471 178.396 175.900 0.042 0.000 1.154 518 Y CA 2.057 60.142 58.100 -0.024 0.000 1.149 518 Y CB -0.573 37.766 38.460 -0.202 0.000 0.976 518 Y HN -0.047 nan 8.280 nan 0.000 0.505 519 K N -0.428 120.021 120.400 0.082 0.000 1.991 519 K HA -0.191 4.001 4.320 -0.212 0.000 0.212 519 K C 2.239 178.882 176.600 0.072 0.000 1.049 519 K CA 2.167 58.459 56.287 0.009 0.000 0.932 519 K CB -0.415 32.154 32.500 0.114 0.000 0.717 519 K HN 0.301 nan 8.250 nan 0.000 0.441 520 S N 0.579 116.385 115.700 0.178 0.000 2.356 520 S HA -0.150 4.192 4.470 -0.212 0.000 0.223 520 S C 2.089 176.726 174.600 0.061 0.000 1.032 520 S CA 1.143 59.438 58.200 0.159 0.000 1.005 520 S CB -0.462 62.914 63.200 0.294 0.000 0.867 520 S HN 0.551 nan 8.310 nan 0.000 0.449 521 A N 0.632 123.540 122.820 0.146 0.000 1.892 521 A HA -0.212 3.980 4.320 -0.212 0.000 0.218 521 A C 2.403 179.968 177.584 -0.031 0.000 1.188 521 A CA 1.783 53.859 52.037 0.066 0.000 0.631 521 A CB -1.379 17.714 19.000 0.155 0.000 0.822 521 A HN 0.615 nan 8.150 nan 0.000 0.447 522 c N -0.973 117.548 118.600 -0.132 0.000 2.432 522 c HA 0.010 4.452 4.570 -0.212 0.000 0.280 522 c C 2.538 176.638 174.090 0.016 0.000 1.353 522 c CA 0.839 57.093 56.329 -0.126 0.000 1.766 522 c CB -1.305 41.011 42.510 -0.323 0.000 1.924 522 c HN 0.616 nan 8.230 nan 0.000 0.509 523 I N 0.349 120.950 120.570 0.052 0.000 2.333 523 I HA -0.113 3.929 4.170 -0.212 0.000 0.246 523 I C 2.246 178.355 176.117 -0.014 0.000 1.106 523 I CA 1.237 62.566 61.300 0.047 0.000 1.411 523 I CB -0.402 37.637 38.000 0.066 0.000 1.082 523 I HN 0.257 nan 8.210 nan 0.000 0.420 524 K N 1.203 121.578 120.400 -0.043 0.000 2.519 524 K HA 0.042 4.234 4.320 -0.212 0.000 0.196 524 K C 0.580 177.154 176.600 -0.043 0.000 1.041 524 K CA 0.317 56.561 56.287 -0.071 0.000 0.954 524 K CB -0.019 32.402 32.500 -0.133 0.000 0.774 524 K HN 0.272 nan 8.250 nan 0.000 0.480 525 A N -0.150 122.657 122.820 -0.022 0.000 2.346 525 A HA 0.580 4.773 4.320 -0.212 0.000 0.313 525 A C 0.549 178.132 177.584 -0.002 0.000 1.140 525 A CA -0.535 51.498 52.037 -0.007 0.000 0.826 525 A CB 1.203 20.207 19.000 0.007 0.000 1.332 525 A HN 0.156 nan 8.150 nan 0.000 0.457 526 G N -0.401 108.401 108.800 0.003 0.000 3.530 526 G HA2 0.341 4.174 3.960 -0.212 0.000 0.269 526 G HA3 0.341 4.174 3.960 -0.212 0.000 0.269 526 G C 0.339 175.249 174.900 0.017 0.000 1.314 526 G CA -0.078 45.023 45.100 0.002 0.000 1.441 526 G HN 0.526 nan 8.290 nan 0.000 0.595 527 Q N -0.639 119.181 119.800 0.034 0.000 2.396 527 Q HA 0.097 4.309 4.340 -0.212 0.000 0.220 527 Q C -0.440 175.633 176.000 0.122 0.000 0.900 527 Q CA 0.194 56.033 55.803 0.060 0.000 0.925 527 Q CB 0.900 29.666 28.738 0.047 0.000 1.065 527 Q HN 0.528 nan 8.270 nan 0.000 0.535 528 Y N 1.449 121.721 120.300 -0.046 0.000 2.338 528 Y HA 0.398 4.820 4.550 -0.212 0.000 0.333 528 Y C -1.705 174.178 175.900 -0.028 0.000 0.968 528 Y CA -1.888 56.188 58.100 -0.040 0.000 1.123 528 Y CB 1.342 39.765 38.460 -0.062 0.000 1.165 528 Y HN -0.173 nan 8.280 nan 0.000 0.452 529 D N 8.276 128.365 120.400 -0.518 0.000 2.476 529 D HA 0.390 4.902 4.640 -0.212 0.000 0.251 529 D C -2.374 173.584 176.300 -0.569 0.000 1.291 529 D CA -2.467 51.225 54.000 -0.513 0.000 0.939 529 D CB 2.445 43.115 40.800 -0.216 0.000 1.221 529 D HN 0.285 nan 8.370 nan 0.000 0.567 530 P HA -0.162 nan 4.420 nan 0.000 0.219 530 P C 0.327 177.551 177.300 -0.125 0.000 1.147 530 P CA 1.268 64.171 63.100 -0.329 0.000 0.821 530 P CB 0.427 32.004 31.700 -0.205 0.000 0.771 531 D N -2.310 118.010 120.400 -0.133 0.000 2.566 531 D HA -0.015 4.497 4.640 -0.212 0.000 0.253 531 D C 0.689 176.961 176.300 -0.046 0.000 0.992 531 D CA 0.142 54.103 54.000 -0.065 0.000 0.940 531 D CB -0.931 39.833 40.800 -0.060 0.000 1.095 531 D HN 0.162 nan 8.370 nan 0.000 0.480 532 N N 1.637 120.300 118.700 -0.061 0.000 2.386 532 N HA -0.074 4.539 4.740 -0.212 0.000 0.273 532 N C 1.032 176.537 175.510 -0.008 0.000 1.331 532 N CA -0.225 52.805 53.050 -0.033 0.000 0.891 532 N CB 0.955 39.419 38.487 -0.039 0.000 1.139 532 N HN -0.174 nan 8.380 nan 0.000 0.487 533 V N 3.692 123.606 119.914 0.001 0.000 2.913 533 V HA -0.083 3.910 4.120 -0.212 0.000 0.260 533 V C 1.215 177.320 176.094 0.017 0.000 1.098 533 V CA 1.442 63.750 62.300 0.013 0.000 1.121 533 V CB -0.354 31.474 31.823 0.008 0.000 0.714 533 V HN 0.705 nan 8.190 nan 0.000 0.487 534 E N 0.043 120.251 120.200 0.014 0.000 2.476 534 E HA 0.159 4.381 4.350 -0.212 0.000 0.191 534 E C 0.333 176.952 176.600 0.031 0.000 1.064 534 E CA 0.211 56.622 56.400 0.018 0.000 0.866 534 E CB 0.299 30.006 29.700 0.011 0.000 0.952 534 E HN 0.521 nan 8.360 nan 0.000 0.492 535 L N 2.271 123.520 121.223 0.045 0.000 2.725 535 L HA 0.243 4.455 4.340 -0.212 0.000 0.270 535 L C -2.395 174.562 176.870 0.146 0.000 1.422 535 L CA -1.469 53.419 54.840 0.080 0.000 0.770 535 L CB 1.124 43.223 42.059 0.067 0.000 1.081 535 L HN -0.198 nan 8.230 nan 0.000 0.527 536 P HA -0.073 nan 4.420 nan 0.000 0.268 536 P C 0.894 178.221 177.300 0.044 0.000 1.204 536 P CA -0.181 62.968 63.100 0.081 0.000 0.768 536 P CB 1.663 33.364 31.700 0.001 0.000 0.842 537 L N 2.598 123.792 121.223 -0.048 0.000 2.651 537 L HA -0.116 4.097 4.340 -0.212 0.000 0.236 537 L C 0.781 177.541 176.870 -0.183 0.000 1.173 537 L CA 1.838 56.452 54.840 -0.378 0.000 0.843 537 L CB -0.730 40.851 42.059 -0.797 0.000 0.964 537 L HN 0.455 nan 8.230 nan 0.000 0.454 538 D N -2.241 117.994 120.400 -0.275 0.000 2.424 538 D HA -0.034 4.479 4.640 -0.212 0.000 0.220 538 D C 0.722 176.979 176.300 -0.071 0.000 1.150 538 D CA -0.127 53.649 54.000 -0.374 0.000 0.831 538 D CB -0.176 40.159 40.800 -0.775 0.000 0.981 538 D HN 0.382 nan 8.370 nan 0.000 0.500 539 N N 0.389 119.101 118.700 0.019 0.000 2.471 539 N HA 0.084 4.697 4.740 -0.212 0.000 0.270 539 N C -0.700 174.867 175.510 0.094 0.000 1.490 539 N CA -0.410 52.676 53.050 0.060 0.000 0.850 539 N CB 0.694 39.203 38.487 0.037 0.000 1.411 539 N HN 0.195 nan 8.380 nan 0.000 0.488 540 c N -0.574 118.102 118.600 0.127 0.000 2.341 540 c HA 0.504 4.947 4.570 -0.212 0.000 0.338 540 c C 1.297 175.479 174.090 0.155 0.000 1.257 540 c CA -0.628 55.757 56.329 0.094 0.000 1.883 540 c CB 1.549 44.054 42.510 -0.008 0.000 2.334 540 c HN 0.281 nan 8.230 nan 0.000 0.524 541 D N 1.193 121.683 120.400 0.149 0.000 2.327 541 D HA -0.045 4.467 4.640 -0.212 0.000 0.205 541 D C 1.823 178.281 176.300 0.263 0.000 0.989 541 D CA 0.841 54.970 54.000 0.215 0.000 0.873 541 D CB -0.141 40.792 40.800 0.221 0.000 0.955 541 D HN 0.945 nan 8.370 nan 0.000 0.515 542 I N -2.270 118.404 120.570 0.172 0.000 3.239 542 I HA -0.401 3.642 4.170 -0.212 0.000 0.249 542 I C -0.012 176.243 176.117 0.229 0.000 0.576 542 I CA 0.723 62.123 61.300 0.168 0.000 1.426 542 I CB -2.301 35.787 38.000 0.148 0.000 1.085 542 I HN 0.012 nan 8.210 nan 0.000 0.384 543 Y N 3.368 123.704 120.300 0.060 0.000 2.597 543 Y HA 0.382 4.804 4.550 -0.213 0.000 0.336 543 Y C 1.543 177.337 175.900 -0.177 0.000 1.216 543 Y CA 0.978 58.874 58.100 -0.339 0.000 1.463 543 Y CB 0.555 38.654 38.460 -0.602 0.000 1.303 543 Y HN 0.433 nan 8.280 nan 0.000 0.576 544 G N 3.651 111.953 108.800 -0.830 0.000 2.305 544 G HA2 -0.292 3.541 3.960 -0.212 0.000 0.287 544 G HA3 -0.292 3.541 3.960 -0.212 0.000 0.287 544 G C -0.107 174.691 174.900 -0.171 0.000 1.036 544 G CA 0.551 45.357 45.100 -0.488 0.000 0.887 544 G HN 0.872 nan 8.290 nan 0.000 0.505 545 S N -0.436 115.205 115.700 -0.098 0.000 2.461 545 S HA 0.724 5.066 4.470 -0.212 0.000 0.322 545 S C 1.515 176.108 174.600 -0.012 0.000 1.063 545 S CA 0.546 58.731 58.200 -0.025 0.000 1.120 545 S CB 0.972 64.183 63.200 0.020 0.000 0.968 545 S HN 1.438 nan 8.310 nan 0.000 0.467 546 A N 5.320 128.126 122.820 -0.023 0.000 1.877 546 A HA -0.073 4.119 4.320 -0.212 0.000 0.216 546 A C 2.095 179.678 177.584 -0.003 0.000 1.186 546 A CA 1.504 53.532 52.037 -0.016 0.000 0.620 546 A CB -0.536 18.448 19.000 -0.026 0.000 0.822 546 A HN 0.739 nan 8.150 nan 0.000 0.443 547 R N -0.152 120.341 120.500 -0.012 0.000 2.148 547 R HA 0.054 4.267 4.340 -0.212 0.000 0.227 547 R C 2.087 178.374 176.300 -0.022 0.000 1.103 547 R CA 1.501 57.585 56.100 -0.026 0.000 0.983 547 R CB -0.656 29.619 30.300 -0.043 0.000 0.874 547 R HN 0.449 nan 8.270 nan 0.000 0.451 548 A N -0.758 122.073 122.820 0.018 0.000 1.872 548 A HA 0.035 4.227 4.320 -0.212 0.000 0.214 548 A C 2.320 180.023 177.584 0.199 0.000 1.187 548 A CA 1.451 53.535 52.037 0.078 0.000 0.614 548 A CB -1.252 17.822 19.000 0.122 0.000 0.826 548 A HN 0.463 nan 8.150 nan 0.000 0.442 549 G N -0.507 108.400 108.800 0.178 0.000 2.422 549 G HA2 0.034 3.867 3.960 -0.212 0.000 0.218 549 G HA3 0.034 3.867 3.960 -0.212 0.000 0.218 549 G C 1.699 176.731 174.900 0.219 0.000 1.146 549 G CA 1.364 46.599 45.100 0.225 0.000 0.769 549 G HN 0.783 nan 8.290 nan 0.000 0.547 550 A N 1.091 123.980 122.820 0.115 0.000 1.940 550 A HA 0.240 4.433 4.320 -0.212 0.000 0.219 550 A C 2.765 180.421 177.584 0.120 0.000 1.176 550 A CA 2.256 54.349 52.037 0.094 0.000 0.631 550 A CB -0.626 18.384 19.000 0.016 0.000 0.814 550 A HN 0.724 nan 8.150 nan 0.000 0.446 551 A N -1.559 121.281 122.820 0.034 0.000 1.897 551 A HA 0.102 4.295 4.320 -0.212 0.000 0.215 551 A C 1.855 179.537 177.584 0.163 0.000 1.181 551 A CA 1.213 53.206 52.037 -0.074 0.000 0.620 551 A CB -0.650 18.017 19.000 -0.556 0.000 0.821 551 A HN 0.418 nan 8.150 nan 0.000 0.443 552 F N -0.298 119.768 119.950 0.193 0.000 2.333 552 F HA -0.135 4.265 4.527 -0.212 0.000 0.300 552 F C 2.280 178.106 175.800 0.043 0.000 1.083 552 F CA 1.448 59.502 58.000 0.091 0.000 1.395 552 F CB -0.266 38.742 39.000 0.014 0.000 1.056 552 F HN 0.515 nan 8.300 nan 0.000 0.529 553 H N -0.003 119.184 119.070 0.196 0.000 2.384 553 H HA -0.045 4.384 4.556 -0.212 0.000 0.300 553 H C 1.715 177.113 175.328 0.118 0.000 1.057 553 H CA 1.238 57.361 56.048 0.125 0.000 1.370 553 H CB -0.081 29.733 29.762 0.087 0.000 1.417 553 H HN 0.128 nan 8.280 nan 0.000 0.527 554 N N 0.781 119.556 118.700 0.124 0.000 2.205 554 N HA -0.162 4.451 4.740 -0.212 0.000 0.186 554 N C 2.207 177.743 175.510 0.043 0.000 1.015 554 N CA 1.292 54.385 53.050 0.072 0.000 0.862 554 N CB -0.225 38.325 38.487 0.106 0.000 0.986 554 N HN 0.480 nan 8.380 nan 0.000 0.429 555 M N 0.755 120.404 119.600 0.082 0.000 2.095 555 M HA 0.007 4.359 4.480 -0.212 0.000 0.257 555 M C 1.889 178.246 176.300 0.095 0.000 1.089 555 M CA 1.072 56.433 55.300 0.103 0.000 1.138 555 M CB -0.091 32.555 32.600 0.077 0.000 1.303 555 M HN -0.066 nan 8.290 nan 0.000 0.422 556 L N 0.484 121.724 121.223 0.028 0.000 2.081 556 L HA -0.195 4.018 4.340 -0.212 0.000 0.212 556 L C 2.701 179.716 176.870 0.242 0.000 1.080 556 L CA 1.609 56.496 54.840 0.079 0.000 0.754 556 L CB -1.308 40.639 42.059 -0.187 0.000 0.893 556 L HN 0.561 nan 8.230 nan 0.000 0.433 557 S N -0.417 115.304 115.700 0.034 0.000 2.442 557 S HA -0.177 4.166 4.470 -0.212 0.000 0.236 557 S C 1.922 176.627 174.600 0.175 0.000 1.007 557 S CA 0.994 59.249 58.200 0.092 0.000 0.965 557 S CB -0.354 62.719 63.200 -0.211 0.000 0.773 557 S HN 0.379 nan 8.310 nan 0.000 0.504 558 M N 1.316 120.988 119.600 0.121 0.000 2.229 558 M HA 0.115 4.467 4.480 -0.212 0.000 0.264 558 M C 1.414 177.714 176.300 0.000 0.000 1.063 558 M CA 0.768 56.099 55.300 0.051 0.000 1.114 558 M CB -1.065 31.548 32.600 0.021 0.000 1.387 558 M HN 0.548 nan 8.290 nan 0.000 0.420 559 G N 1.551 110.427 108.800 0.127 0.000 2.172 559 G HA2 -0.083 3.750 3.960 -0.212 0.000 0.244 559 G HA3 -0.083 3.750 3.960 -0.212 0.000 0.244 559 G C 0.683 175.414 174.900 -0.282 0.000 0.743 559 G CA 0.321 45.380 45.100 -0.067 0.000 1.146 559 G HN 0.982 nan 8.290 nan 0.000 0.327 560 A N 0.217 122.886 122.820 -0.252 0.000 2.739 560 A HA -0.146 4.046 4.320 -0.212 0.000 0.295 560 A C 2.316 179.544 177.584 -0.595 0.000 1.477 560 A CA 2.235 54.079 52.037 -0.322 0.000 0.931 560 A CB -1.786 17.052 19.000 -0.270 0.000 0.959 560 A HN 2.504 nan 8.150 nan 0.000 0.555 561 S N -2.097 113.197 115.700 -0.677 0.000 2.496 561 S HA 0.266 4.609 4.470 -0.212 0.000 0.224 561 S C 0.714 174.911 174.600 -0.673 0.000 0.996 561 S CA 0.784 58.288 58.200 -1.160 0.000 0.927 561 S CB 0.393 63.227 63.200 -0.609 0.000 0.774 561 S HN 0.541 nan 8.310 nan 0.000 0.524 562 K N 1.225 121.390 120.400 -0.393 0.000 2.508 562 K HA 0.537 4.730 4.320 -0.212 0.000 0.260 562 K C -3.302 173.186 176.600 -0.186 0.000 0.949 562 K CA -2.309 53.837 56.287 -0.236 0.000 0.834 562 K CB 1.219 33.628 32.500 -0.152 0.000 1.365 562 K HN -0.096 nan 8.250 nan 0.000 0.437 563 P HA -0.063 nan 4.420 nan 0.000 0.267 563 P C 1.054 178.267 177.300 -0.144 0.000 1.195 563 P CA -0.002 63.012 63.100 -0.143 0.000 0.773 563 P CB 0.246 31.844 31.700 -0.171 0.000 0.837 564 W N 3.039 124.255 121.300 -0.141 0.000 2.364 564 W HA -0.077 4.455 4.660 -0.212 0.000 0.281 564 W C -1.730 174.793 176.519 0.007 0.000 1.219 564 W CA 1.069 58.295 57.345 -0.199 0.000 1.220 564 W CB -2.923 26.410 29.460 -0.211 0.000 1.127 564 W HN 0.331 nan 8.180 nan 0.000 0.556 565 P HA -0.130 nan 4.420 nan 0.000 0.218 565 P C 1.006 178.287 177.300 -0.032 0.000 1.148 565 P CA 2.341 65.221 63.100 -0.366 0.000 0.822 565 P CB -0.100 31.276 31.700 -0.541 0.000 0.784 566 D N -1.107 119.265 120.400 -0.045 0.000 2.194 566 D HA -0.012 4.500 4.640 -0.212 0.000 0.204 566 D C 1.993 178.344 176.300 0.085 0.000 0.964 566 D CA 1.010 55.018 54.000 0.013 0.000 0.846 566 D CB -0.836 39.945 40.800 -0.031 0.000 0.962 566 D HN 0.027 nan 8.370 nan 0.000 0.490 567 A N 0.897 123.771 122.820 0.090 0.000 1.877 567 A HA -0.134 4.058 4.320 -0.212 0.000 0.216 567 A C 2.104 179.900 177.584 0.354 0.000 1.186 567 A CA 1.051 53.176 52.037 0.145 0.000 0.620 567 A CB -0.754 18.225 19.000 -0.034 0.000 0.822 567 A HN 0.246 nan 8.150 nan 0.000 0.443 568 L N 0.189 121.729 121.223 0.528 0.000 1.994 568 L HA -0.162 4.050 4.340 -0.212 0.000 0.208 568 L C 2.316 179.442 176.870 0.427 0.000 1.071 568 L CA 2.805 58.027 54.840 0.637 0.000 0.745 568 L CB -0.786 41.702 42.059 0.715 0.000 0.892 568 L HN 0.618 nan 8.230 nan 0.000 0.431 569 E N -0.496 119.873 120.200 0.282 0.000 2.097 569 E HA -0.289 3.934 4.350 -0.212 0.000 0.196 569 E C 2.022 178.717 176.600 0.158 0.000 1.000 569 E CA 1.381 57.891 56.400 0.183 0.000 0.804 569 E CB -0.245 29.520 29.700 0.108 0.000 0.740 569 E HN 0.632 nan 8.360 nan 0.000 0.454 570 A N 0.074 122.991 122.820 0.163 0.000 2.019 570 A HA -0.147 4.045 4.320 -0.212 0.000 0.219 570 A C 1.906 179.567 177.584 0.129 0.000 1.164 570 A CA 1.205 53.316 52.037 0.123 0.000 0.644 570 A CB -0.679 18.391 19.000 0.116 0.000 0.805 570 A HN 0.537 nan 8.150 nan 0.000 0.449 571 F N 1.591 121.567 119.950 0.043 0.000 2.147 571 F HA -0.020 4.380 4.527 -0.212 0.000 0.291 571 F C 1.286 177.081 175.800 -0.007 0.000 1.093 571 F CA 1.704 59.685 58.000 -0.031 0.000 1.263 571 F CB 0.062 39.006 39.000 -0.093 0.000 1.036 571 F HN 0.431 nan 8.300 nan 0.000 0.481 572 N N -1.279 117.477 118.700 0.093 0.000 2.217 572 N HA 0.243 4.855 4.740 -0.212 0.000 0.239 572 N C 0.852 176.397 175.510 0.059 0.000 1.330 572 N CA 0.395 53.424 53.050 -0.035 0.000 0.838 572 N CB 0.591 39.122 38.487 0.073 0.000 1.287 572 N HN 0.379 nan 8.380 nan 0.000 0.498 573 G N -0.288 108.563 108.800 0.086 0.000 2.245 573 G HA2 -0.354 3.479 3.960 -0.212 0.000 0.264 573 G HA3 -0.354 3.479 3.960 -0.212 0.000 0.264 573 G C -0.147 174.812 174.900 0.099 0.000 0.985 573 G CA 0.639 45.783 45.100 0.075 0.000 0.625 573 G HN 0.513 nan 8.290 nan 0.000 0.536 574 E N -0.446 119.839 120.200 0.142 0.000 2.345 574 E HA 0.624 4.846 4.350 -0.212 0.000 0.259 574 E C 0.933 177.631 176.600 0.164 0.000 1.117 574 E CA -0.459 56.027 56.400 0.144 0.000 0.913 574 E CB 0.527 30.326 29.700 0.165 0.000 1.057 574 E HN 0.364 nan 8.360 nan 0.000 0.432 575 R N 0.724 121.307 120.500 0.138 0.000 2.569 575 R HA 0.362 4.574 4.340 -0.212 0.000 0.422 575 R C -0.385 175.986 176.300 0.118 0.000 0.980 575 R CA -0.081 56.085 56.100 0.111 0.000 1.164 575 R CB 0.557 30.876 30.300 0.031 0.000 1.520 575 R HN 0.378 nan 8.270 nan 0.000 0.567 576 I N 1.062 121.753 120.570 0.202 0.000 2.647 576 I HA 0.334 4.376 4.170 -0.212 0.000 0.295 576 I C -0.478 175.835 176.117 0.326 0.000 1.078 576 I CA -1.134 60.318 61.300 0.254 0.000 1.048 576 I CB 2.521 40.615 38.000 0.158 0.000 1.239 576 I HN -0.018 nan 8.210 nan 0.000 0.421 577 M N 5.727 125.585 119.600 0.430 0.000 2.185 577 M HA 0.357 4.709 4.480 -0.212 0.000 0.357 577 M C -0.394 175.960 176.300 0.090 0.000 1.260 577 M CA 0.436 55.867 55.300 0.218 0.000 1.124 577 M CB 0.579 33.260 32.600 0.135 0.000 1.600 577 M HN 0.748 nan 8.290 nan 0.000 0.467 578 S N 2.703 118.417 115.700 0.023 0.000 2.596 578 S HA 0.713 5.056 4.470 -0.212 0.000 0.270 578 S C -0.038 174.553 174.600 -0.014 0.000 1.155 578 S CA -0.468 57.740 58.200 0.013 0.000 0.827 578 S CB 1.504 64.729 63.200 0.043 0.000 1.130 578 S HN 0.814 nan 8.310 nan 0.000 0.467 579 G N -0.159 108.636 108.800 -0.007 0.000 3.502 579 G HA2 0.157 3.990 3.960 -0.212 0.000 0.267 579 G HA3 0.157 3.990 3.960 -0.212 0.000 0.267 579 G C 0.714 175.613 174.900 -0.002 0.000 1.090 579 G CA -0.195 44.896 45.100 -0.016 0.000 0.795 579 G HN 0.749 nan 8.290 nan 0.000 0.535 580 K N 0.538 120.949 120.400 0.019 0.000 2.211 580 K HA 0.077 4.270 4.320 -0.212 0.000 0.203 580 K C 2.480 179.107 176.600 0.045 0.000 1.050 580 K CA 1.078 57.388 56.287 0.038 0.000 0.945 580 K CB -0.068 32.464 32.500 0.053 0.000 0.732 580 K HN 0.193 nan 8.250 nan 0.000 0.451 581 A N 2.053 124.897 122.820 0.040 0.000 1.835 581 A HA -0.146 4.047 4.320 -0.212 0.000 0.215 581 A C 2.072 179.645 177.584 -0.019 0.000 1.199 581 A CA 1.756 53.832 52.037 0.065 0.000 0.615 581 A CB -0.811 18.261 19.000 0.120 0.000 0.838 581 A HN 0.393 nan 8.150 nan 0.000 0.444 582 I N -0.356 120.085 120.570 -0.216 0.000 2.087 582 I HA -0.318 3.724 4.170 -0.212 0.000 0.240 582 I C 2.743 178.868 176.117 0.013 0.000 1.054 582 I CA 1.852 62.858 61.300 -0.490 0.000 1.311 582 I CB -1.154 36.592 38.000 -0.423 0.000 1.024 582 I HN 0.281 nan 8.210 nan 0.000 0.402 583 A N 0.743 123.592 122.820 0.048 0.000 1.884 583 A HA -0.330 3.863 4.320 -0.212 0.000 0.219 583 A C 2.423 180.082 177.584 0.126 0.000 1.197 583 A CA 2.443 54.547 52.037 0.113 0.000 0.637 583 A CB -1.033 18.003 19.000 0.060 0.000 0.827 583 A HN 0.654 nan 8.150 nan 0.000 0.450 584 E N -2.217 118.038 120.200 0.092 0.000 2.265 584 E HA -0.220 4.003 4.350 -0.212 0.000 0.196 584 E C 1.638 178.277 176.600 0.065 0.000 0.996 584 E CA 1.234 57.688 56.400 0.091 0.000 0.832 584 E CB -0.215 29.549 29.700 0.106 0.000 0.756 584 E HN 0.799 nan 8.360 nan 0.000 0.491 585 Y N -0.830 119.401 120.300 -0.114 0.000 2.231 585 Y HA -0.042 4.381 4.550 -0.212 0.000 0.294 585 Y C 1.056 176.760 175.900 -0.327 0.000 1.120 585 Y CA 1.223 59.159 58.100 -0.273 0.000 1.141 585 Y CB 0.067 38.256 38.460 -0.452 0.000 1.022 585 Y HN -0.022 nan 8.280 nan 0.000 0.523 586 F N 0.578 120.624 119.950 0.160 0.000 2.692 586 F HA 0.152 4.551 4.527 -0.213 0.000 0.303 586 F C 1.843 177.677 175.800 0.057 0.000 1.114 586 F CA 0.172 58.234 58.000 0.103 0.000 1.361 586 F CB -0.210 38.861 39.000 0.119 0.000 1.063 586 F HN 0.089 nan 8.300 nan 0.000 0.550 587 E N 2.459 122.753 120.200 0.156 0.000 2.038 587 E HA -0.169 4.054 4.350 -0.212 0.000 0.195 587 E C -0.399 176.271 176.600 0.116 0.000 1.000 587 E CA 1.663 58.137 56.400 0.123 0.000 0.803 587 E CB -1.376 28.374 29.700 0.083 0.000 0.750 587 E HN 0.140 nan 8.360 nan 0.000 0.448 588 P HA -0.165 nan 4.420 nan 0.000 0.219 588 P C 1.631 179.020 177.300 0.148 0.000 1.146 588 P CA 0.958 64.109 63.100 0.086 0.000 0.808 588 P CB -0.031 31.685 31.700 0.026 0.000 0.779 589 L N -0.232 121.095 121.223 0.174 0.000 2.095 589 L HA -0.015 4.197 4.340 -0.212 0.000 0.204 589 L C 2.569 179.615 176.870 0.294 0.000 1.080 589 L CA 1.521 56.507 54.840 0.244 0.000 0.759 589 L CB -1.020 41.224 42.059 0.309 0.000 0.914 589 L HN -0.103 nan 8.230 nan 0.000 0.439 590 R N 0.727 121.371 120.500 0.241 0.000 2.094 590 R HA -0.146 4.066 4.340 -0.212 0.000 0.239 590 R C 1.834 178.232 176.300 0.164 0.000 1.137 590 R CA 2.172 58.384 56.100 0.187 0.000 0.943 590 R CB -0.824 29.563 30.300 0.144 0.000 0.850 590 R HN 0.452 nan 8.270 nan 0.000 0.433 591 V N -1.994 118.014 119.914 0.156 0.000 3.564 591 V HA -0.010 3.982 4.120 -0.212 0.000 0.283 591 V C 1.080 177.269 176.094 0.158 0.000 1.227 591 V CA 0.671 63.042 62.300 0.119 0.000 1.217 591 V CB -0.888 30.992 31.823 0.094 0.000 0.994 591 V HN 0.468 nan 8.190 nan 0.000 0.446 592 W N -0.403 120.903 121.300 0.011 0.000 2.865 592 W HA 0.428 4.961 4.660 -0.212 0.000 0.300 592 W C 1.481 177.958 176.519 -0.070 0.000 1.096 592 W CA 0.038 57.375 57.345 -0.013 0.000 1.524 592 W CB 0.580 30.043 29.460 0.005 0.000 0.991 592 W HN 0.240 nan 8.180 nan 0.000 0.571 593 L N 0.292 121.527 121.223 0.019 0.000 2.145 593 L HA 0.050 4.262 4.340 -0.212 0.000 0.201 593 L C 2.089 178.863 176.870 -0.159 0.000 1.075 593 L CA 1.142 55.908 54.840 -0.123 0.000 0.773 593 L CB -0.672 41.428 42.059 0.068 0.000 0.936 593 L HN -0.129 nan 8.230 nan 0.000 0.451 594 E N 0.644 120.797 120.200 -0.079 0.000 2.267 594 E HA -0.203 4.020 4.350 -0.212 0.000 0.197 594 E C 1.984 178.505 176.600 -0.131 0.000 0.998 594 E CA 1.088 57.441 56.400 -0.079 0.000 0.830 594 E CB -0.087 29.589 29.700 -0.040 0.000 0.751 594 E HN 0.530 nan 8.360 nan 0.000 0.491 595 A N 0.998 123.698 122.820 -0.201 0.000 1.920 595 A HA -0.049 4.144 4.320 -0.212 0.000 0.209 595 A C 2.047 179.430 177.584 -0.334 0.000 1.229 595 A CA 0.635 52.531 52.037 -0.235 0.000 0.671 595 A CB -0.079 18.784 19.000 -0.229 0.000 0.886 595 A HN 0.069 nan 8.150 nan 0.000 0.461 596 E N 1.185 121.051 120.200 -0.557 0.000 2.110 596 E HA -0.151 4.071 4.350 -0.212 0.000 0.193 596 E C 1.444 177.819 176.600 -0.374 0.000 0.988 596 E CA 1.525 57.544 56.400 -0.636 0.000 0.804 596 E CB -0.279 28.662 29.700 -1.266 0.000 0.745 596 E HN 0.497 nan 8.360 nan 0.000 0.458 597 N N -0.171 118.362 118.700 -0.280 0.000 2.520 597 N HA -0.060 4.553 4.740 -0.212 0.000 0.185 597 N C 1.310 176.706 175.510 -0.189 0.000 1.068 597 N CA 0.703 53.649 53.050 -0.174 0.000 0.911 597 N CB 0.112 38.559 38.487 -0.067 0.000 0.961 597 N HN 0.344 nan 8.380 nan 0.000 0.446 598 I N -0.207 120.250 120.570 -0.188 0.000 3.708 598 I HA -0.026 4.017 4.170 -0.212 0.000 0.302 598 I C 2.164 178.186 176.117 -0.158 0.000 1.255 598 I CA 0.198 61.408 61.300 -0.151 0.000 1.362 598 I CB 0.237 38.163 38.000 -0.123 0.000 1.100 598 I HN -0.026 nan 8.210 nan 0.000 0.434 599 K N 1.061 121.346 120.400 -0.192 0.000 2.167 599 K HA -0.047 4.146 4.320 -0.212 0.000 0.203 599 K C 1.388 177.882 176.600 -0.176 0.000 1.052 599 K CA 1.021 57.209 56.287 -0.165 0.000 0.956 599 K CB 0.215 32.610 32.500 -0.175 0.000 0.735 599 K HN 0.231 nan 8.250 nan 0.000 0.451 600 N N 1.209 119.742 118.700 -0.278 0.000 2.280 600 N HA -0.054 4.559 4.740 -0.212 0.000 0.192 600 N C -0.709 174.565 175.510 -0.392 0.000 1.109 600 N CA 0.195 53.008 53.050 -0.396 0.000 0.855 600 N CB 0.063 38.045 38.487 -0.842 0.000 0.974 600 N HN 0.280 nan 8.380 nan 0.000 0.482 601 N N 0.436 118.975 118.700 -0.268 0.000 2.648 601 N HA -0.166 4.447 4.740 -0.212 0.000 0.265 601 N C -1.296 174.101 175.510 -0.187 0.000 1.100 601 N CA -0.253 52.695 53.050 -0.170 0.000 0.715 601 N CB -0.560 37.870 38.487 -0.095 0.000 0.881 601 N HN -0.157 nan 8.380 nan 0.000 0.548 602 V N 2.422 122.204 119.914 -0.219 0.000 2.465 602 V HA 0.142 4.134 4.120 -0.212 0.000 0.279 602 V C 0.762 176.871 176.094 0.025 0.000 1.045 602 V CA -0.565 61.655 62.300 -0.133 0.000 0.938 602 V CB 1.390 33.114 31.823 -0.165 0.000 0.986 602 V HN 0.354 nan 8.190 nan 0.000 0.467 603 H N 5.714 124.802 119.070 0.030 0.000 2.819 603 H HA 0.270 4.699 4.556 -0.212 0.000 0.303 603 H C -0.715 174.668 175.328 0.093 0.000 1.058 603 H CA -0.367 55.714 56.048 0.054 0.000 1.471 603 H CB 0.793 30.600 29.762 0.075 0.000 1.480 603 H HN 0.359 nan 8.280 nan 0.000 0.517 604 I N 3.679 124.059 120.570 -0.317 0.000 2.488 604 I HA 0.262 4.305 4.170 -0.212 0.000 0.299 604 I C 1.257 177.204 176.117 -0.283 0.000 0.984 604 I CA 0.306 61.510 61.300 -0.160 0.000 1.250 604 I CB 0.852 38.761 38.000 -0.152 0.000 1.389 604 I HN 0.906 nan 8.210 nan 0.000 0.488 605 G N 5.235 113.941 108.800 -0.156 0.000 2.814 605 G HA2 -0.139 3.693 3.960 -0.212 0.000 0.677 605 G HA3 -0.139 3.693 3.960 -0.212 0.000 0.677 605 G C -1.284 173.467 174.900 -0.248 0.000 1.429 605 G CA -0.558 44.236 45.100 -0.510 0.000 0.868 605 G HN 0.763 nan 8.290 nan 0.000 0.553 606 W N -0.786 120.556 121.300 0.070 0.000 3.167 606 W HA 0.650 5.183 4.660 -0.212 0.000 0.324 606 W C -0.714 175.849 176.519 0.073 0.000 1.230 606 W CA -1.688 55.726 57.345 0.114 0.000 1.184 606 W CB 0.914 30.424 29.460 0.084 0.000 1.414 606 W HN 0.742 nan 8.180 nan 0.000 0.551 607 I N 2.255 122.972 120.570 0.246 0.000 2.713 607 I HA 0.340 4.382 4.170 -0.212 0.000 0.300 607 I C 1.134 177.380 176.117 0.215 0.000 1.009 607 I CA 0.081 61.468 61.300 0.146 0.000 1.305 607 I CB 1.343 39.397 38.000 0.090 0.000 1.430 607 I HN 0.473 nan 8.210 nan 0.000 0.546 608 T N 2.708 117.355 114.554 0.156 0.000 2.855 608 T HA 0.143 4.366 4.350 -0.212 0.000 0.322 608 T C 0.393 175.174 174.700 0.135 0.000 1.088 608 T CA -0.263 61.940 62.100 0.172 0.000 1.104 608 T CB 0.222 69.163 68.868 0.121 0.000 0.996 608 T HN 0.699 nan 8.240 nan 0.000 0.549 609 S N 0.447 116.222 115.700 0.125 0.000 2.617 609 S HA 0.283 4.625 4.470 -0.212 0.000 0.269 609 S C 0.557 175.180 174.600 0.038 0.000 1.292 609 S CA -0.744 57.495 58.200 0.063 0.000 1.010 609 S CB 0.099 63.325 63.200 0.044 0.000 0.944 609 S HN 0.821 nan 8.310 nan 0.000 0.536 610 N N 0.571 119.268 118.700 -0.005 0.000 2.241 610 N HA 0.195 4.808 4.740 -0.212 0.000 0.238 610 N C 0.352 175.829 175.510 -0.056 0.000 1.244 610 N CA -0.362 52.679 53.050 -0.016 0.000 0.880 610 N CB 0.335 38.807 38.487 -0.023 0.000 1.179 610 N HN 0.357 nan 8.380 nan 0.000 0.513 611 K N 0.395 120.740 120.400 -0.092 0.000 2.459 611 K HA 0.105 4.298 4.320 -0.212 0.000 0.193 611 K C 0.545 177.050 176.600 -0.157 0.000 1.030 611 K CA 0.164 56.341 56.287 -0.183 0.000 1.026 611 K CB -0.193 32.116 32.500 -0.318 0.000 0.809 611 K HN 0.244 nan 8.250 nan 0.000 0.504 612 c N 0.314 118.894 118.600 -0.034 0.000 2.379 612 c HA 0.742 5.185 4.570 -0.212 0.000 0.323 612 c C 0.749 174.883 174.090 0.073 0.000 1.262 612 c CA -0.625 55.740 56.329 0.060 0.000 1.581 612 c CB 0.232 42.861 42.510 0.199 0.000 2.221 612 c HN 0.206 nan 8.230 nan 0.000 0.497 613 V N 2.119 122.083 119.914 0.083 0.000 5.798 613 V HA 0.794 4.787 4.120 -0.212 0.000 0.309 613 V C -0.207 175.945 176.094 0.096 0.000 1.652 613 V CA -0.081 62.266 62.300 0.078 0.000 0.731 613 V CB 0.841 32.692 31.823 0.048 0.000 1.366 613 V HN 0.807 nan 8.190 nan 0.000 0.422 614 S N 0.835 116.584 115.700 0.082 0.000 2.584 614 S HA 0.643 4.986 4.470 -0.212 0.000 0.189 614 S C -0.406 174.239 174.600 0.075 0.000 0.869 614 S CA 0.603 58.855 58.200 0.085 0.000 1.097 614 S CB -0.163 63.086 63.200 0.081 0.000 1.677 614 S HN 2.082 nan 8.310 nan 0.000 0.460 615 S N 1.554 117.296 115.700 0.070 0.000 3.663 615 S HA -0.070 4.272 4.470 -0.212 0.000 0.779 615 S C -1.174 173.470 174.600 0.074 0.000 1.254 615 S CA 0.023 58.261 58.200 0.062 0.000 1.164 615 S CB -0.212 63.059 63.200 0.119 0.000 0.532 615 S HN 1.000 nan 8.310 nan 0.000 0.505 616 H N 2.876 121.871 119.070 -0.126 0.000 3.069 616 H HA 0.334 4.762 4.556 -0.213 0.000 0.294 616 H C -1.701 173.357 175.328 -0.450 0.000 1.144 616 H CA -0.131 55.813 56.048 -0.172 0.000 1.579 616 H CB 0.387 30.048 29.762 -0.167 0.000 2.174 616 H HN 0.758 nan 8.280 nan 0.000 0.456 617 H N 3.417 122.336 119.070 -0.251 0.000 2.797 617 H HA 0.253 4.682 4.556 -0.213 0.000 0.372 617 H C 0.089 175.185 175.328 -0.387 0.000 1.168 617 H CA -0.640 55.192 56.048 -0.359 0.000 1.163 617 H CB 1.897 31.298 29.762 -0.600 0.000 1.778 617 H HN 0.606 nan 8.280 nan 0.000 0.551 618 H N 0.883 120.009 119.070 0.093 0.000 2.487 618 H HA 0.086 4.514 4.556 -0.212 0.000 0.290 618 H C -0.232 175.100 175.328 0.007 0.000 1.081 618 H CA -0.081 56.004 56.048 0.062 0.000 1.116 618 H CB -0.084 29.730 29.762 0.088 0.000 1.560 618 H HN 0.598 nan 8.280 nan 0.000 0.548 619 H N -2.342 116.748 119.070 0.034 0.000 2.806 619 H HA 0.399 4.828 4.556 -0.213 0.000 0.367 619 H C -0.181 175.097 175.328 -0.084 0.000 1.136 619 H CA -0.906 55.096 56.048 -0.078 0.000 1.178 619 H CB 0.977 30.745 29.762 0.010 0.000 1.718 619 H HN -0.055 nan 8.280 nan 0.000 0.540 620 H N 0.000 119.131 119.070 0.101 0.000 2.539 620 H HA 0.000 4.429 4.556 -0.212 0.000 0.296 620 H CA 0.000 56.066 56.048 0.029 0.000 1.023 620 H CB 0.000 29.783 29.762 0.035 0.000 1.292 620 H HN 0.000 nan 8.280 nan 0.000 0.496