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 2f7r_1_A DATA FIRST_RESID 31 DATA SEQUENCE cQDVVQDVPN VDVQMLELYD RMSFKDIDGG VWKQGWNIKY DPLKYNAHHK DATA SEQUENCE LKVFVVPHSH NDPGWIQTFE EYYQHDTKHI LSNALRHLHD NPEMKFIWAE DATA SEQUENCE ISYFARFYHD LGENKKLQMK SIVKNGQLEF VTGGWVMPDE ANSHWRNVLL DATA SEQUENCE QLTEGQTWLK QFMNVTPTAS WAIDPFGHSP TMPYILQKSG FKNMLIQRTH DATA SEQUENCE YSVKKELAQQ RQLEFLWRQI WDNKGDTALF THMMPFYSYD IPHTcGPDPK DATA SEQUENCE VccQFDFKRM GSFGLScPWK VPPRTISDQN VAARSDLLVD QWKKKAELYR DATA SEQUENCE TNVLLIPLGD DFRFKQNTEW DVQRVNYERL FEHINSQAHF NVQAQFGTLQ DATA SEQUENCE EYFDAVHQAE RAGQAEFPTL SGDFFTYADR SDNYWSGYYT SRPYHKRMDR DATA SEQUENCE VLMHYVRAAE MLSAWHSWDG MARIEERLEQ ARRELSLFQH HDGITGTAKT DATA SEQUENCE HVVVDYEQRM QEALKACQMV MQQSVYRLLT KPSIYSPDFS FSYFTLDDSR DATA SEQUENCE WPGSGVEDSR TTIILGEDIL PSKHVVMHNT LPHWREQLVD FYVSSPFVSV DATA SEQUENCE TDLANNPVEA QVSPVWSWHH DTLTKTIHPQ GSTTKYRIIF KARVPPMGLA DATA SEQUENCE TYVLTISDSK PEHTSYASNL LLRKNPTSLP LGQYPEDVKF GDPREISLRV DATA SEQUENCE GNGPTLAFSE QGLLKSIQLT QDSPHVPVHF KFLKYGVRSH GDRSGAYLFL DATA SEQUENCE PNGPASPVEL GQPVVLVTKG KLESSVSVGL PSVVHQTIMR GGAPEIRNLV DATA SEQUENCE DIGSLDNTEI VMRLETHIDS GDIFYTDLNG LQFIKRRRLD KLPLQANYYP DATA SEQUENCE IPSGMFIEDA NTRLTLLTGQ PLGGSSLASG ELEIMQDRRL ASDDERGLGQ DATA SEQUENCE GVLDNKPVLH IYRLVLEKVN NcVRPSKLHP AGYLTSAAHK ASQSLLDPLD DATA SEQUENCE KFIFAENEWI GAQGQFGGDH PSAREDLDVS VMRRLTKSSA KTQRVGYVLH DATA SEQUENCE RTNLMQcGTP EEHTQKLDVc HLLPNVARcE RTTLTFLQNL EHLDGMVAPE DATA SEQUENCE VcPMETAAYV SSHS 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 31 c HA 0.000 nan 4.570 nan 0.000 0.325 31 c C 0.000 174.102 174.090 0.021 0.000 1.270 31 c CA 0.000 56.336 56.329 0.012 0.000 1.963 31 c CB 0.000 42.504 42.510 -0.010 0.000 2.134 32 Q N 1.434 121.262 119.800 0.047 0.000 2.364 32 Q HA 0.137 4.476 4.340 -0.001 0.000 0.267 32 Q C -0.209 175.821 176.000 0.050 0.000 0.999 32 Q CA 0.401 56.247 55.803 0.072 0.000 0.886 32 Q CB 0.800 29.619 28.738 0.135 0.000 1.243 32 Q HN 0.655 nan 8.270 nan 0.000 0.415 33 D N 1.799 122.231 120.400 0.052 0.000 2.325 33 D HA 0.054 4.693 4.640 -0.001 0.000 0.251 33 D C 0.517 176.864 176.300 0.080 0.000 1.196 33 D CA -0.209 53.804 54.000 0.022 0.000 0.866 33 D CB 1.257 42.071 40.800 0.023 0.000 1.101 33 D HN 0.383 nan 8.370 nan 0.000 0.476 34 V N 2.204 122.119 119.914 0.002 0.000 3.649 34 V HA 0.082 4.201 4.120 -0.001 0.000 0.275 34 V C 1.134 177.288 176.094 0.099 0.000 1.281 34 V CA 0.122 62.483 62.300 0.103 0.000 1.143 34 V CB 0.187 31.897 31.823 -0.189 0.000 0.892 34 V HN 0.390 nan 8.190 nan 0.000 0.441 35 V N -0.013 119.876 119.914 -0.042 0.000 2.908 35 V HA 0.086 4.205 4.120 -0.001 0.000 0.240 35 V C 2.318 178.408 176.094 -0.007 0.000 1.117 35 V CA 1.245 63.483 62.300 -0.105 0.000 1.133 35 V CB 0.015 31.722 31.823 -0.194 0.000 0.857 35 V HN 0.479 nan 8.190 nan 0.000 0.478 36 Q N -0.223 119.614 119.800 0.062 0.000 2.384 36 Q HA 0.112 4.451 4.340 -0.001 0.000 0.207 36 Q C -0.431 175.657 176.000 0.146 0.000 0.904 36 Q CA 0.331 56.188 55.803 0.090 0.000 0.933 36 Q CB 0.531 29.293 28.738 0.039 0.000 1.077 36 Q HN 0.511 nan 8.270 nan 0.000 0.522 37 D N 1.285 121.801 120.400 0.194 0.000 2.441 37 D HA 0.176 4.816 4.640 -0.001 0.000 0.231 37 D C -0.694 175.715 176.300 0.181 0.000 1.073 37 D CA -0.233 53.863 54.000 0.160 0.000 0.850 37 D CB 2.138 43.011 40.800 0.121 0.000 1.062 37 D HN -0.166 nan 8.370 nan 0.000 0.524 38 V N 4.630 124.617 119.914 0.121 0.000 2.470 38 V HA 0.130 4.250 4.120 -0.001 0.000 0.276 38 V C -1.891 174.176 176.094 -0.045 0.000 1.040 38 V CA -1.174 61.116 62.300 -0.016 0.000 1.008 38 V CB 0.590 32.414 31.823 0.002 0.000 0.990 38 V HN 0.295 nan 8.190 nan 0.000 0.477 39 P HA 0.109 nan 4.420 nan 0.000 0.269 39 P C -0.458 176.811 177.300 -0.051 0.000 1.209 39 P CA -0.131 62.934 63.100 -0.058 0.000 0.776 39 P CB 0.385 32.033 31.700 -0.088 0.000 0.876 40 N N 1.867 120.553 118.700 -0.024 0.000 2.462 40 N HA 0.281 5.021 4.740 -0.001 0.000 0.242 40 N C -0.586 174.914 175.510 -0.017 0.000 1.010 40 N CA -0.138 52.901 53.050 -0.018 0.000 0.939 40 N CB 0.740 39.226 38.487 -0.003 0.000 1.127 40 N HN 0.138 nan 8.380 nan 0.000 0.509 41 V N -0.813 119.083 119.914 -0.029 0.000 3.001 41 V HA 0.475 4.595 4.120 -0.001 0.000 0.314 41 V C 0.706 176.784 176.094 -0.026 0.000 1.099 41 V CA -0.807 61.479 62.300 -0.023 0.000 0.989 41 V CB 2.383 34.181 31.823 -0.042 0.000 1.040 41 V HN 0.302 nan 8.190 nan 0.000 0.434 42 D N 0.916 121.307 120.400 -0.015 0.000 2.144 42 D HA 0.028 4.667 4.640 -0.001 0.000 0.200 42 D C 0.485 176.753 176.300 -0.053 0.000 0.978 42 D CA 1.606 55.594 54.000 -0.019 0.000 0.833 42 D CB 0.502 41.306 40.800 0.007 0.000 0.961 42 D HN 0.418 nan 8.370 nan 0.000 0.470 43 V N 1.484 121.345 119.914 -0.089 0.000 2.483 43 V HA 0.213 4.332 4.120 -0.001 0.000 0.297 43 V C -0.378 175.619 176.094 -0.162 0.000 1.027 43 V CA -0.744 61.474 62.300 -0.137 0.000 0.855 43 V CB 2.407 34.103 31.823 -0.212 0.000 0.995 43 V HN -0.078 nan 8.190 nan 0.000 0.424 44 Q N 4.649 124.366 119.800 -0.140 0.000 2.327 44 Q HA 0.432 4.771 4.340 -0.001 0.000 0.270 44 Q C 0.426 176.327 176.000 -0.164 0.000 1.022 44 Q CA -0.695 55.018 55.803 -0.151 0.000 0.773 44 Q CB 1.890 30.561 28.738 -0.112 0.000 1.251 44 Q HN 0.679 nan 8.270 nan 0.000 0.457 45 M N 3.085 122.538 119.600 -0.244 0.000 2.202 45 M HA -0.170 4.310 4.480 -0.001 0.000 0.262 45 M C 1.597 177.790 176.300 -0.177 0.000 1.063 45 M CA 1.004 56.147 55.300 -0.261 0.000 1.097 45 M CB -0.817 31.493 32.600 -0.482 0.000 1.382 45 M HN 0.573 nan 8.290 nan 0.000 0.413 46 L N 0.688 121.801 121.223 -0.184 0.000 2.093 46 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 46 L C 2.476 179.337 176.870 -0.014 0.000 1.085 46 L CA 1.813 56.578 54.840 -0.125 0.000 0.755 46 L CB -0.649 41.313 42.059 -0.161 0.000 0.904 46 L HN 0.272 nan 8.230 nan 0.000 0.435 47 E N -0.437 119.742 120.200 -0.036 0.000 2.072 47 E HA -0.215 4.135 4.350 -0.001 0.000 0.191 47 E C 2.189 178.801 176.600 0.020 0.000 0.985 47 E CA 1.291 57.684 56.400 -0.011 0.000 0.801 47 E CB -0.246 29.433 29.700 -0.035 0.000 0.750 47 E HN 0.445 nan 8.360 nan 0.000 0.452 48 L N 0.545 121.779 121.223 0.018 0.000 2.012 48 L HA -0.193 4.147 4.340 -0.001 0.000 0.210 48 L C 2.288 179.229 176.870 0.118 0.000 1.073 48 L CA 1.703 56.563 54.840 0.034 0.000 0.748 48 L CB -1.015 41.051 42.059 0.012 0.000 0.891 48 L HN 0.117 nan 8.230 nan 0.000 0.431 49 Y N -0.047 120.255 120.300 0.003 0.000 2.207 49 Y HA -0.255 4.295 4.550 -0.001 0.000 0.287 49 Y C 2.553 178.540 175.900 0.145 0.000 1.156 49 Y CA 1.681 59.867 58.100 0.143 0.000 1.182 49 Y CB -0.685 37.862 38.460 0.145 0.000 0.979 49 Y HN 0.369 nan 8.280 nan 0.000 0.521 50 D N -0.573 119.937 120.400 0.183 0.000 2.178 50 D HA -0.114 4.526 4.640 -0.001 0.000 0.202 50 D C 2.039 178.378 176.300 0.066 0.000 0.974 50 D CA 1.163 55.225 54.000 0.104 0.000 0.841 50 D CB 0.080 40.916 40.800 0.059 0.000 0.953 50 D HN 0.272 nan 8.370 nan 0.000 0.478 51 R N -0.908 119.613 120.500 0.035 0.000 2.100 51 R HA 0.165 4.504 4.340 -0.001 0.000 0.220 51 R C 0.956 177.231 176.300 -0.042 0.000 1.091 51 R CA 0.082 56.177 56.100 -0.008 0.000 0.986 51 R CB -0.063 30.218 30.300 -0.031 0.000 0.888 51 R HN 0.208 nan 8.270 nan 0.000 0.444 52 M N 0.934 120.472 119.600 -0.102 0.000 2.252 52 M HA -0.073 4.406 4.480 -0.001 0.000 0.333 52 M C 1.425 177.642 176.300 -0.138 0.000 1.111 52 M CA 0.405 55.546 55.300 -0.265 0.000 1.140 52 M CB 1.054 33.209 32.600 -0.741 0.000 1.538 52 M HN 0.079 nan 8.290 nan 0.000 0.448 53 S N 1.358 116.969 115.700 -0.148 0.000 2.517 53 S HA 0.104 4.574 4.470 -0.001 0.000 0.214 53 S C 0.616 175.315 174.600 0.166 0.000 0.991 53 S CA -0.275 57.944 58.200 0.031 0.000 0.906 53 S CB -0.143 63.056 63.200 -0.002 0.000 0.789 53 S HN 0.758 nan 8.310 nan 0.000 0.513 54 F N 0.800 120.681 119.950 -0.116 0.000 3.084 54 F HA -0.146 4.380 4.527 -0.001 0.000 0.286 54 F C 0.169 175.982 175.800 0.022 0.000 0.855 54 F CA 0.415 58.354 58.000 -0.103 0.000 1.091 54 F CB -1.905 37.010 39.000 -0.141 0.000 1.177 54 F HN 0.129 nan 8.300 nan 0.000 0.542 55 K N 1.036 121.513 120.400 0.130 0.000 2.350 55 K HA 0.169 4.488 4.320 -0.001 0.000 0.279 55 K C 0.245 176.957 176.600 0.187 0.000 1.027 55 K CA -0.197 56.174 56.287 0.140 0.000 0.969 55 K CB 0.610 33.152 32.500 0.071 0.000 0.954 55 K HN 0.054 nan 8.250 nan 0.000 0.474 56 D N 3.587 124.111 120.400 0.206 0.000 2.564 56 D HA 0.133 4.772 4.640 -0.001 0.000 0.226 56 D C -0.206 176.143 176.300 0.080 0.000 1.149 56 D CA -0.381 53.745 54.000 0.209 0.000 0.994 56 D CB -0.398 40.532 40.800 0.216 0.000 1.029 56 D HN 0.509 nan 8.370 nan 0.000 0.517 57 I N -0.549 120.055 120.570 0.057 0.000 2.577 57 I HA 0.430 4.599 4.170 -0.001 0.000 0.305 57 I C -0.273 175.835 176.117 -0.014 0.000 0.986 57 I CA -0.782 60.528 61.300 0.017 0.000 1.189 57 I CB 1.719 39.729 38.000 0.016 0.000 1.355 57 I HN -0.085 nan 8.210 nan 0.000 0.476 58 D N 4.402 124.793 120.400 -0.016 0.000 2.346 58 D HA 0.174 4.814 4.640 -0.001 0.000 0.260 58 D C 0.848 177.135 176.300 -0.021 0.000 1.252 58 D CA 0.113 54.097 54.000 -0.026 0.000 0.895 58 D CB 1.333 42.125 40.800 -0.013 0.000 1.097 58 D HN 0.793 nan 8.370 nan 0.000 0.489 59 G N 2.415 111.185 108.800 -0.050 0.000 3.141 59 G HA2 0.440 4.400 3.960 -0.001 0.000 0.218 59 G HA3 0.440 4.400 3.960 -0.001 0.000 0.218 59 G C 0.874 175.776 174.900 0.003 0.000 1.170 59 G CA 0.350 45.424 45.100 -0.042 0.000 0.769 59 G HN 0.906 nan 8.290 nan 0.000 0.546 60 G N -0.617 108.190 108.800 0.012 0.000 2.445 60 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.212 60 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.212 60 G C 1.169 176.091 174.900 0.037 0.000 1.217 60 G CA 0.599 45.718 45.100 0.032 0.000 1.002 60 G HN 1.090 nan 8.290 nan 0.000 0.574 61 V N -3.640 116.295 119.914 0.035 0.000 2.392 61 V HA 0.068 4.188 4.120 -0.001 0.000 0.249 61 V C 1.437 177.559 176.094 0.048 0.000 1.059 61 V CA 2.426 64.728 62.300 0.004 0.000 1.051 61 V CB -0.563 31.229 31.823 -0.052 0.000 0.658 61 V HN 1.420 nan 8.190 nan 0.000 0.455 62 W N 2.595 123.803 121.300 -0.153 0.000 2.422 62 W HA 0.439 5.098 4.660 -0.001 0.000 0.349 62 W C 1.112 177.591 176.519 -0.067 0.000 1.062 62 W CA -1.801 55.442 57.345 -0.170 0.000 1.497 62 W CB 0.356 29.685 29.460 -0.218 0.000 1.407 62 W HN 0.047 nan 8.180 nan 0.000 0.393 63 K N 2.777 123.270 120.400 0.156 0.000 2.152 63 K HA -0.179 4.140 4.320 -0.001 0.000 0.206 63 K C 0.847 177.372 176.600 -0.125 0.000 1.048 63 K CA 1.489 57.772 56.287 -0.007 0.000 0.933 63 K CB 0.146 32.637 32.500 -0.016 0.000 0.721 63 K HN 0.567 nan 8.250 nan 0.000 0.447 64 Q N -0.700 118.990 119.800 -0.183 0.000 2.188 64 Q HA 0.160 4.499 4.340 -0.001 0.000 0.212 64 Q C 0.779 176.432 176.000 -0.580 0.000 0.846 64 Q CA -0.346 55.323 55.803 -0.222 0.000 0.989 64 Q CB 1.298 30.046 28.738 0.015 0.000 1.114 64 Q HN 0.220 nan 8.270 nan 0.000 0.488 65 G N 0.623 108.632 108.800 -1.317 0.000 3.392 65 G HA2 0.531 4.490 3.960 -0.001 0.000 0.185 65 G HA3 0.531 4.490 3.960 -0.001 0.000 0.185 65 G C -1.413 173.142 174.900 -0.576 0.000 1.206 65 G CA -0.315 43.658 45.100 -1.878 0.000 0.776 65 G HN 0.356 nan 8.290 nan 0.000 0.697 66 W N -1.497 119.501 121.300 -0.503 0.000 2.959 66 W HA 0.633 5.293 4.660 -0.001 0.000 0.358 66 W C -1.491 175.109 176.519 0.134 0.000 1.228 66 W CA -1.174 56.111 57.345 -0.101 0.000 1.183 66 W CB 0.626 30.042 29.460 -0.073 0.000 1.467 66 W HN 0.186 nan 8.180 nan 0.000 0.578 67 N N 2.072 120.925 118.700 0.255 0.000 2.399 67 N HA 0.230 4.970 4.740 -0.001 0.000 0.259 67 N C -0.292 175.356 175.510 0.231 0.000 1.160 67 N CA -0.002 53.151 53.050 0.172 0.000 0.946 67 N CB 0.341 38.930 38.487 0.170 0.000 1.156 67 N HN 0.408 nan 8.380 nan 0.000 0.489 68 I N 2.072 122.685 120.570 0.072 0.000 2.588 68 I HA 0.017 4.186 4.170 -0.001 0.000 0.283 68 I C 0.824 177.108 176.117 0.277 0.000 1.119 68 I CA 0.285 61.700 61.300 0.192 0.000 1.419 68 I CB 0.504 38.563 38.000 0.098 0.000 1.394 68 I HN 0.131 nan 8.210 nan 0.000 0.562 69 K N 6.047 126.647 120.400 0.334 0.000 2.267 69 K HA 0.619 4.938 4.320 -0.001 0.000 0.246 69 K C -1.340 175.437 176.600 0.295 0.000 0.954 69 K CA -0.699 55.718 56.287 0.217 0.000 0.824 69 K CB 2.308 34.899 32.500 0.151 0.000 1.167 69 K HN 0.496 nan 8.250 nan 0.000 0.431 70 Y N -2.023 118.366 120.300 0.147 0.000 2.615 70 Y HA 0.423 4.972 4.550 -0.001 0.000 0.341 70 Y C -1.254 174.716 175.900 0.116 0.000 1.089 70 Y CA -1.534 56.653 58.100 0.145 0.000 1.049 70 Y CB 1.184 39.749 38.460 0.175 0.000 1.296 70 Y HN 0.397 nan 8.280 nan 0.000 0.470 71 D N 3.787 124.335 120.400 0.247 0.000 2.347 71 D HA 0.295 4.935 4.640 -0.001 0.000 0.235 71 D C -1.626 174.829 176.300 0.260 0.000 1.149 71 D CA -2.771 51.312 54.000 0.139 0.000 0.850 71 D CB 1.548 42.406 40.800 0.097 0.000 1.061 71 D HN 0.442 nan 8.370 nan 0.000 0.487 72 P HA -0.131 nan 4.420 nan 0.000 0.221 72 P C 1.356 178.795 177.300 0.232 0.000 1.145 72 P CA 0.721 64.008 63.100 0.312 0.000 0.795 72 P CB 0.364 32.184 31.700 0.200 0.000 0.775 73 L N -0.603 120.706 121.223 0.143 0.000 2.599 73 L HA 0.059 4.398 4.340 -0.001 0.000 0.230 73 L C 2.720 179.627 176.870 0.062 0.000 1.141 73 L CA 0.467 55.367 54.840 0.100 0.000 0.877 73 L CB -0.714 41.383 42.059 0.063 0.000 1.009 73 L HN -0.027 nan 8.230 nan 0.000 0.447 74 K N 0.478 120.894 120.400 0.027 0.000 2.063 74 K HA -0.161 4.159 4.320 -0.001 0.000 0.208 74 K C -0.064 176.377 176.600 -0.265 0.000 1.048 74 K CA 1.230 57.416 56.287 -0.169 0.000 0.928 74 K CB 0.056 32.382 32.500 -0.291 0.000 0.713 74 K HN 0.061 nan 8.250 nan 0.000 0.442 75 Y N 0.774 121.197 120.300 0.206 0.000 2.361 75 Y HA 0.249 4.799 4.550 -0.000 0.000 0.332 75 Y C 0.065 176.048 175.900 0.138 0.000 1.101 75 Y CA -0.968 57.244 58.100 0.187 0.000 1.137 75 Y CB 1.425 39.944 38.460 0.098 0.000 1.207 75 Y HN 0.311 nan 8.280 nan 0.000 0.463 76 N N -0.641 118.210 118.700 0.251 0.000 3.277 76 N HA 0.501 5.240 4.740 -0.001 0.000 0.278 76 N C 0.146 175.689 175.510 0.055 0.000 1.544 76 N CA -0.373 52.756 53.050 0.131 0.000 0.869 76 N CB 0.280 38.832 38.487 0.107 0.000 1.584 76 N HN 0.463 nan 8.380 nan 0.000 0.564 77 A N -1.059 121.715 122.820 -0.077 0.000 1.948 77 A HA -0.222 4.098 4.320 -0.001 0.000 0.220 77 A C 1.051 178.466 177.584 -0.282 0.000 1.177 77 A CA 1.582 53.477 52.037 -0.237 0.000 0.636 77 A CB -1.148 17.603 19.000 -0.414 0.000 0.815 77 A HN 0.701 nan 8.150 nan 0.000 0.449 78 H N -2.881 116.248 119.070 0.098 0.000 2.539 78 H HA 0.160 4.715 4.556 -0.001 0.000 0.269 78 H C -0.377 175.061 175.328 0.182 0.000 0.980 78 H CA 0.746 56.857 56.048 0.105 0.000 1.152 78 H CB 0.073 29.883 29.762 0.081 0.000 1.407 78 H HN 0.725 nan 8.280 nan 0.000 0.564 79 H N 0.506 119.660 119.070 0.139 0.000 3.059 79 H HA 0.285 4.841 4.556 -0.000 0.000 0.302 79 H C -0.806 174.667 175.328 0.242 0.000 1.264 79 H CA -0.495 55.652 56.048 0.166 0.000 1.615 79 H CB 0.332 30.179 29.762 0.142 0.000 1.795 79 H HN -0.044 nan 8.280 nan 0.000 0.556 80 K N 2.475 122.845 120.400 -0.050 0.000 2.095 80 K HA 0.338 4.657 4.320 -0.001 0.000 0.252 80 K C -0.727 175.695 176.600 -0.297 0.000 0.977 80 K CA -1.309 54.926 56.287 -0.086 0.000 0.900 80 K CB 1.828 34.261 32.500 -0.110 0.000 1.060 80 K HN 0.231 nan 8.250 nan 0.000 0.449 81 L N 2.406 123.315 121.223 -0.524 0.000 2.278 81 L HA 0.163 4.502 4.340 -0.001 0.000 0.287 81 L C -0.839 175.741 176.870 -0.482 0.000 1.072 81 L CA 0.279 54.660 54.840 -0.764 0.000 0.819 81 L CB 0.175 41.593 42.059 -1.068 0.000 1.176 81 L HN 0.387 nan 8.230 nan 0.000 0.435 82 K N 4.731 124.877 120.400 -0.424 0.000 2.234 82 K HA 0.512 4.832 4.320 -0.001 0.000 0.277 82 K C -1.156 175.084 176.600 -0.600 0.000 1.038 82 K CA -0.630 55.363 56.287 -0.490 0.000 0.888 82 K CB 1.630 33.893 32.500 -0.396 0.000 1.091 82 K HN 0.398 nan 8.250 nan 0.000 0.467 83 V N 4.795 124.242 119.914 -0.778 0.000 2.384 83 V HA 0.357 4.477 4.120 -0.001 0.000 0.287 83 V C -0.876 174.661 176.094 -0.929 0.000 1.020 83 V CA -0.800 60.997 62.300 -0.840 0.000 0.850 83 V CB 0.655 31.811 31.823 -1.113 0.000 0.987 83 V HN 0.543 nan 8.190 nan 0.000 0.436 84 F N 3.815 123.506 119.950 -0.433 0.000 2.361 84 F HA 0.498 5.025 4.527 -0.001 0.000 0.364 84 F C 0.193 175.804 175.800 -0.314 0.000 1.117 84 F CA -0.699 57.103 58.000 -0.329 0.000 1.071 84 F CB 1.709 40.585 39.000 -0.207 0.000 1.188 84 F HN 0.180 nan 8.300 nan 0.000 0.464 85 V N 5.054 124.927 119.914 -0.069 0.000 2.385 85 V HA 0.308 4.427 4.120 -0.001 0.000 0.269 85 V C -0.191 176.002 176.094 0.164 0.000 1.043 85 V CA -0.636 61.689 62.300 0.041 0.000 0.906 85 V CB 1.288 33.210 31.823 0.166 0.000 0.995 85 V HN 0.427 nan 8.190 nan 0.000 0.467 86 V N 8.331 128.291 119.914 0.076 0.000 2.293 86 V HA 0.320 4.440 4.120 -0.001 0.000 0.275 86 V C -2.384 173.752 176.094 0.069 0.000 1.021 86 V CA -1.910 60.402 62.300 0.021 0.000 0.815 86 V CB 1.483 33.223 31.823 -0.137 0.000 1.025 86 V HN 0.725 nan 8.190 nan 0.000 0.448 87 P HA 0.351 nan 4.420 nan 0.000 0.271 87 P C -0.890 176.428 177.300 0.030 0.000 1.216 87 P CA 0.221 63.304 63.100 -0.027 0.000 0.771 87 P CB 0.389 31.870 31.700 -0.365 0.000 0.864 88 H N -1.053 118.035 119.070 0.031 0.000 2.990 88 H HA 0.797 5.353 4.556 -0.001 0.000 0.336 88 H C -1.497 173.950 175.328 0.198 0.000 1.306 88 H CA -1.117 54.852 56.048 -0.131 0.000 1.118 88 H CB 1.008 30.652 29.762 -0.197 0.000 1.856 88 H HN 0.196 nan 8.280 nan 0.000 0.538 89 S N 0.682 116.404 115.700 0.037 0.000 2.720 89 S HA 0.215 4.684 4.470 -0.001 0.000 0.278 89 S C -1.864 172.669 174.600 -0.112 0.000 1.172 89 S CA -0.672 57.586 58.200 0.096 0.000 1.019 89 S CB 0.235 63.682 63.200 0.412 0.000 1.049 89 S HN 0.847 nan 8.310 nan 0.000 0.483 90 H N 4.387 123.360 119.070 -0.162 0.000 2.723 90 H HA 0.440 4.995 4.556 -0.001 0.000 0.294 90 H C -0.154 174.777 175.328 -0.662 0.000 1.079 90 H CA 0.202 56.068 56.048 -0.304 0.000 1.411 90 H CB 0.270 29.917 29.762 -0.192 0.000 1.439 90 H HN 0.566 nan 8.280 nan 0.000 0.474 91 N N 5.659 123.726 118.700 -1.055 0.000 2.626 91 N HA 0.059 4.799 4.740 -0.001 0.000 0.242 91 N C -1.168 173.896 175.510 -0.743 0.000 1.005 91 N CA -0.578 51.703 53.050 -1.281 0.000 0.905 91 N CB 1.028 39.054 38.487 -0.768 0.000 1.128 91 N HN 0.667 nan 8.380 nan 0.000 0.512 92 D N 2.546 122.517 120.400 -0.715 0.000 2.383 92 D HA 0.097 4.737 4.640 -0.001 0.000 0.252 92 D C -2.094 174.275 176.300 0.116 0.000 1.166 92 D CA -0.801 53.066 54.000 -0.221 0.000 0.879 92 D CB 1.490 42.404 40.800 0.191 0.000 1.164 92 D HN 0.188 nan 8.370 nan 0.000 0.462 93 P HA 0.199 nan 4.420 nan 0.000 0.230 93 P C -0.072 177.427 177.300 0.332 0.000 1.791 93 P CA -0.017 63.114 63.100 0.052 0.000 1.020 93 P CB 0.256 31.859 31.700 -0.163 0.000 1.977 94 G N 0.396 109.568 108.800 0.621 0.000 3.067 94 G HA2 0.017 3.976 3.960 -0.001 0.000 0.686 94 G HA3 0.017 3.976 3.960 -0.001 0.000 0.686 94 G C -1.097 174.340 174.900 0.894 0.000 1.119 94 G CA -0.639 44.855 45.100 0.657 0.000 0.790 94 G HN 0.359 nan 8.290 nan 0.000 0.605 95 W N 2.409 124.053 121.300 0.574 0.000 4.511 95 W HA 0.301 4.961 4.660 -0.001 0.000 0.159 95 W C 0.902 177.607 176.519 0.310 0.000 3.471 95 W CA 0.912 58.562 57.345 0.508 0.000 1.173 95 W CB -0.737 29.102 29.460 0.632 0.000 2.090 95 W HN 0.508 nan 8.180 nan 0.000 0.393 96 I N 1.856 122.399 120.570 -0.044 0.000 3.030 96 I HA 0.157 4.327 4.170 -0.001 0.000 0.270 96 I C 0.364 176.354 176.117 -0.212 0.000 1.211 96 I CA 1.045 62.150 61.300 -0.325 0.000 1.479 96 I CB -1.128 36.665 38.000 -0.346 0.000 1.105 96 I HN 0.106 nan 8.210 nan 0.000 0.447 97 Q N -0.047 119.474 119.800 -0.465 0.000 2.458 97 Q HA 0.376 4.716 4.340 -0.001 0.000 0.282 97 Q C 0.120 175.873 176.000 -0.411 0.000 1.106 97 Q CA -0.641 54.836 55.803 -0.543 0.000 0.814 97 Q CB 2.131 30.266 28.738 -1.006 0.000 1.425 97 Q HN 0.231 nan 8.270 nan 0.000 0.437 98 T N -2.139 112.285 114.554 -0.216 0.000 2.766 98 T HA 0.113 4.463 4.350 -0.001 0.000 0.295 98 T C 0.790 175.578 174.700 0.148 0.000 1.024 98 T CA -0.447 61.605 62.100 -0.080 0.000 1.018 98 T CB 0.300 69.148 68.868 -0.033 0.000 1.002 98 T HN 0.569 nan 8.240 nan 0.000 0.532 99 F N 1.193 121.210 119.950 0.111 0.000 2.063 99 F HA -0.148 4.378 4.527 -0.001 0.000 0.298 99 F C 2.470 178.451 175.800 0.301 0.000 1.109 99 F CA 2.397 60.535 58.000 0.231 0.000 1.212 99 F CB -0.369 38.658 39.000 0.044 0.000 0.973 99 F HN 0.784 nan 8.300 nan 0.000 0.480 100 E N 0.363 120.772 120.200 0.348 0.000 2.106 100 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 100 E C 2.009 178.653 176.600 0.073 0.000 0.984 100 E CA 1.729 58.272 56.400 0.238 0.000 0.806 100 E CB -0.285 29.559 29.700 0.241 0.000 0.750 100 E HN 0.617 nan 8.360 nan 0.000 0.458 101 E N -1.011 119.173 120.200 -0.027 0.000 2.051 101 E HA -0.195 4.155 4.350 -0.001 0.000 0.192 101 E C 1.831 178.224 176.600 -0.345 0.000 0.991 101 E CA 1.218 57.442 56.400 -0.294 0.000 0.799 101 E CB -0.246 29.349 29.700 -0.174 0.000 0.748 101 E HN 0.356 nan 8.360 nan 0.000 0.449 102 Y N -0.620 119.626 120.300 -0.090 0.000 2.224 102 Y HA -0.241 4.309 4.550 -0.001 0.000 0.289 102 Y C 2.178 178.003 175.900 -0.125 0.000 1.146 102 Y CA 1.186 59.214 58.100 -0.120 0.000 1.182 102 Y CB -0.673 37.797 38.460 0.018 0.000 0.983 102 Y HN 0.186 nan 8.280 nan 0.000 0.524 103 Y N 0.880 121.187 120.300 0.012 0.000 2.128 103 Y HA -0.283 4.267 4.550 -0.001 0.000 0.284 103 Y C 2.258 178.115 175.900 -0.072 0.000 1.154 103 Y CA 1.844 59.907 58.100 -0.063 0.000 1.149 103 Y CB -0.300 38.117 38.460 -0.073 0.000 0.976 103 Y HN 0.051 nan 8.280 nan 0.000 0.505 104 Q N -0.755 118.932 119.800 -0.187 0.000 2.123 104 Q HA -0.142 4.198 4.340 -0.001 0.000 0.199 104 Q C 2.055 178.010 176.000 -0.076 0.000 0.966 104 Q CA 2.048 57.716 55.803 -0.225 0.000 0.845 104 Q CB -0.482 28.166 28.738 -0.151 0.000 0.907 104 Q HN 0.776 nan 8.270 nan 0.000 0.439 105 H N -0.799 118.288 119.070 0.029 0.000 2.497 105 H HA 0.068 4.623 4.556 -0.001 0.000 0.282 105 H C 0.903 176.323 175.328 0.153 0.000 1.003 105 H CA 0.609 56.710 56.048 0.087 0.000 1.307 105 H CB 0.707 30.484 29.762 0.026 0.000 1.437 105 H HN 0.185 nan 8.280 nan 0.000 0.544 106 D N -1.016 119.488 120.400 0.173 0.000 2.954 106 D HA 0.011 4.650 4.640 -0.001 0.000 0.266 106 D C 1.702 178.060 176.300 0.096 0.000 1.277 106 D CA 0.548 54.639 54.000 0.152 0.000 1.130 106 D CB 0.039 40.826 40.800 -0.022 0.000 1.440 106 D HN 0.068 nan 8.370 nan 0.000 0.427 107 T N 2.453 116.977 114.554 -0.050 0.000 2.821 107 T HA -0.134 4.216 4.350 -0.001 0.000 0.267 107 T C 1.937 176.473 174.700 -0.274 0.000 1.046 107 T CA 1.360 63.395 62.100 -0.108 0.000 1.139 107 T CB -0.052 68.591 68.868 -0.373 0.000 0.871 107 T HN 0.244 nan 8.240 nan 0.000 0.454 108 K N 0.761 120.812 120.400 -0.582 0.000 2.211 108 K HA -0.137 4.182 4.320 -0.001 0.000 0.203 108 K C 1.905 178.256 176.600 -0.416 0.000 1.050 108 K CA 1.350 57.281 56.287 -0.593 0.000 0.945 108 K CB -0.347 31.570 32.500 -0.973 0.000 0.732 108 K HN 0.390 nan 8.250 nan 0.000 0.451 109 H N 0.977 119.979 119.070 -0.113 0.000 2.395 109 H HA 0.058 4.614 4.556 -0.001 0.000 0.299 109 H C 2.254 177.591 175.328 0.014 0.000 1.070 109 H CA 1.363 57.402 56.048 -0.016 0.000 1.356 109 H CB -0.114 29.663 29.762 0.025 0.000 1.401 109 H HN 0.198 nan 8.280 nan 0.000 0.524 110 I N 0.720 121.373 120.570 0.138 0.000 2.179 110 I HA -0.261 3.909 4.170 -0.001 0.000 0.242 110 I C 2.396 178.534 176.117 0.034 0.000 1.088 110 I CA 1.062 62.494 61.300 0.220 0.000 1.357 110 I CB -0.236 37.968 38.000 0.340 0.000 1.051 110 I HN 0.093 nan 8.210 nan 0.000 0.409 111 L N -0.441 120.578 121.223 -0.340 0.000 2.109 111 L HA -0.144 4.195 4.340 -0.001 0.000 0.207 111 L C 2.634 179.162 176.870 -0.570 0.000 1.086 111 L CA 0.969 55.367 54.840 -0.737 0.000 0.760 111 L CB -0.449 40.580 42.059 -1.717 0.000 0.910 111 L HN 0.150 nan 8.230 nan 0.000 0.437 112 S N -0.060 115.436 115.700 -0.339 0.000 2.383 112 S HA -0.101 4.368 4.470 -0.001 0.000 0.227 112 S C 1.690 176.258 174.600 -0.054 0.000 1.026 112 S CA 1.074 59.301 58.200 0.046 0.000 0.981 112 S CB -0.200 63.083 63.200 0.138 0.000 0.818 112 S HN 0.450 nan 8.310 nan 0.000 0.472 113 N N 1.723 120.379 118.700 -0.075 0.000 2.354 113 N HA 0.129 4.869 4.740 -0.001 0.000 0.179 113 N C 1.681 176.823 175.510 -0.612 0.000 1.021 113 N CA 0.947 53.873 53.050 -0.208 0.000 0.887 113 N CB -0.475 38.004 38.487 -0.013 0.000 0.974 113 N HN 0.384 nan 8.380 nan 0.000 0.437 114 A N 1.026 123.555 122.820 -0.484 0.000 1.930 114 A HA -0.067 4.253 4.320 -0.001 0.000 0.217 114 A C 2.173 179.457 177.584 -0.499 0.000 1.175 114 A CA 0.833 52.399 52.037 -0.785 0.000 0.627 114 A CB -0.604 18.241 19.000 -0.258 0.000 0.815 114 A HN 0.217 nan 8.150 nan 0.000 0.443 115 L N 0.125 121.206 121.223 -0.236 0.000 2.017 115 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 115 L C 2.446 179.236 176.870 -0.133 0.000 1.073 115 L CA 2.511 57.292 54.840 -0.098 0.000 0.745 115 L CB -0.663 41.409 42.059 0.022 0.000 0.894 115 L HN 0.487 nan 8.230 nan 0.000 0.432 116 R N -1.705 118.686 120.500 -0.181 0.000 2.066 116 R HA -0.216 4.124 4.340 -0.001 0.000 0.232 116 R C 2.504 178.701 176.300 -0.172 0.000 1.131 116 R CA 1.617 57.630 56.100 -0.145 0.000 0.955 116 R CB -0.662 29.561 30.300 -0.128 0.000 0.851 116 R HN 0.579 nan 8.270 nan 0.000 0.432 117 H N 0.539 119.308 119.070 -0.502 0.000 2.423 117 H HA -0.035 4.521 4.556 -0.001 0.000 0.297 117 H C 2.121 177.223 175.328 -0.377 0.000 1.075 117 H CA 1.553 57.290 56.048 -0.518 0.000 1.342 117 H CB 0.170 29.363 29.762 -0.947 0.000 1.395 117 H HN 0.224 nan 8.280 nan 0.000 0.530 118 L N -0.565 120.479 121.223 -0.299 0.000 2.072 118 L HA -0.165 4.175 4.340 -0.001 0.000 0.205 118 L C 2.662 179.489 176.870 -0.072 0.000 1.079 118 L CA 1.309 56.058 54.840 -0.153 0.000 0.752 118 L CB -0.585 41.402 42.059 -0.121 0.000 0.906 118 L HN 0.296 nan 8.230 nan 0.000 0.436 119 H N 0.387 119.373 119.070 -0.140 0.000 2.319 119 H HA -0.202 4.353 4.556 -0.001 0.000 0.299 119 H C 1.640 176.905 175.328 -0.105 0.000 1.092 119 H CA 2.072 58.066 56.048 -0.091 0.000 1.302 119 H CB 0.092 29.808 29.762 -0.077 0.000 1.373 119 H HN 0.215 nan 8.280 nan 0.000 0.497 120 D N -0.325 120.016 120.400 -0.099 0.000 2.347 120 D HA -0.015 4.624 4.640 -0.001 0.000 0.215 120 D C -0.205 175.975 176.300 -0.201 0.000 0.976 120 D CA 0.556 54.455 54.000 -0.168 0.000 0.884 120 D CB 0.043 40.758 40.800 -0.140 0.000 0.915 120 D HN 0.415 nan 8.370 nan 0.000 0.526 121 N N 0.721 119.302 118.700 -0.199 0.000 2.716 121 N HA 0.137 4.877 4.740 -0.001 0.000 0.253 121 N C -2.190 173.285 175.510 -0.058 0.000 1.170 121 N CA -1.079 51.895 53.050 -0.126 0.000 0.807 121 N CB 2.308 40.700 38.487 -0.160 0.000 1.183 121 N HN -0.123 nan 8.380 nan 0.000 0.524 122 P HA -0.123 nan 4.420 nan 0.000 0.220 122 P C 0.901 178.222 177.300 0.034 0.000 1.144 122 P CA 1.307 64.394 63.100 -0.022 0.000 0.800 122 P CB 0.536 32.216 31.700 -0.033 0.000 0.772 123 E N -1.703 118.549 120.200 0.087 0.000 2.442 123 E HA 0.062 4.412 4.350 -0.001 0.000 0.195 123 E C 0.855 177.596 176.600 0.234 0.000 1.030 123 E CA 0.039 56.538 56.400 0.166 0.000 0.869 123 E CB -0.413 29.421 29.700 0.223 0.000 0.857 123 E HN 0.263 nan 8.360 nan 0.000 0.505 124 M N 1.535 121.210 119.600 0.125 0.000 2.243 124 M HA 0.108 4.587 4.480 -0.001 0.000 0.341 124 M C -0.305 175.988 176.300 -0.012 0.000 1.130 124 M CA 0.229 55.503 55.300 -0.042 0.000 1.162 124 M CB 0.493 33.076 32.600 -0.029 0.000 1.497 124 M HN -0.353 nan 8.290 nan 0.000 0.456 125 K N 3.024 123.380 120.400 -0.073 0.000 2.444 125 K HA 0.657 4.976 4.320 -0.001 0.000 0.252 125 K C -1.736 174.907 176.600 0.072 0.000 0.993 125 K CA -0.506 55.795 56.287 0.024 0.000 0.847 125 K CB 2.230 34.768 32.500 0.063 0.000 1.340 125 K HN 0.672 nan 8.250 nan 0.000 0.446 126 F N 1.392 121.260 119.950 -0.136 0.000 2.672 126 F HA 0.439 4.966 4.527 -0.001 0.000 0.311 126 F C -1.535 174.157 175.800 -0.180 0.000 1.113 126 F CA -1.234 56.670 58.000 -0.159 0.000 0.996 126 F CB 1.022 40.011 39.000 -0.019 0.000 1.286 126 F HN 0.448 nan 8.300 nan 0.000 0.441 127 I N 1.865 122.102 120.570 -0.554 0.000 2.562 127 I HA 0.602 4.772 4.170 -0.001 0.000 0.301 127 I C -1.742 173.937 176.117 -0.730 0.000 1.003 127 I CA -0.610 60.319 61.300 -0.619 0.000 1.127 127 I CB 2.505 40.077 38.000 -0.712 0.000 1.304 127 I HN 0.702 nan 8.210 nan 0.000 0.446 128 W N 4.643 125.539 121.300 -0.674 0.000 2.839 128 W HA 0.638 5.298 4.660 -0.001 0.000 0.334 128 W C -0.750 175.671 176.519 -0.165 0.000 1.064 128 W CA -0.536 56.539 57.345 -0.450 0.000 1.236 128 W CB 2.688 31.933 29.460 -0.359 0.000 1.405 128 W HN 0.784 nan 8.180 nan 0.000 0.478 129 A N 3.412 125.850 122.820 -0.636 0.000 1.984 129 A HA 0.158 4.477 4.320 -0.001 0.000 0.203 129 A C -0.022 177.507 177.584 -0.091 0.000 1.292 129 A CA 0.484 52.389 52.037 -0.221 0.000 0.782 129 A CB -0.014 18.913 19.000 -0.122 0.000 0.924 129 A HN 0.514 nan 8.150 nan 0.000 0.475 130 E N 1.002 121.039 120.200 -0.272 0.000 2.001 130 E HA 0.307 4.656 4.350 -0.001 0.000 0.279 130 E C 0.409 177.166 176.600 0.261 0.000 1.045 130 E CA -0.277 56.140 56.400 0.027 0.000 0.833 130 E CB 0.787 30.504 29.700 0.029 0.000 1.077 130 E HN 0.277 nan 8.360 nan 0.000 0.397 131 I N 1.576 122.194 120.570 0.081 0.000 2.761 131 I HA -0.180 3.989 4.170 -0.001 0.000 0.261 131 I C 1.893 177.644 176.117 -0.610 0.000 1.198 131 I CA 0.856 62.124 61.300 -0.054 0.000 1.482 131 I CB -1.338 36.685 38.000 0.040 0.000 1.100 131 I HN 0.405 nan 8.210 nan 0.000 0.445 132 S N 1.029 116.083 115.700 -1.077 0.000 2.359 132 S HA -0.249 4.220 4.470 -0.001 0.000 0.224 132 S C 2.124 176.429 174.600 -0.492 0.000 1.035 132 S CA 1.216 58.398 58.200 -1.696 0.000 1.018 132 S CB -0.974 61.334 63.200 -1.488 0.000 0.876 132 S HN 0.356 nan 8.310 nan 0.000 0.448 133 Y N 0.571 120.891 120.300 0.033 0.000 2.263 133 Y HA 0.150 4.699 4.550 -0.001 0.000 0.292 133 Y C 2.184 178.136 175.900 0.086 0.000 1.130 133 Y CA 0.293 58.504 58.100 0.185 0.000 1.179 133 Y CB -0.836 37.833 38.460 0.347 0.000 0.998 133 Y HN 0.330 nan 8.280 nan 0.000 0.532 134 F N -0.022 119.986 119.950 0.098 0.000 2.146 134 F HA -0.147 4.379 4.527 -0.001 0.000 0.298 134 F C 2.332 177.936 175.800 -0.327 0.000 1.096 134 F CA 1.244 59.172 58.000 -0.122 0.000 1.275 134 F CB -0.437 38.480 39.000 -0.140 0.000 1.008 134 F HN -0.024 nan 8.300 nan 0.000 0.480 135 A N 0.175 122.619 122.820 -0.628 0.000 1.898 135 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 135 A C 2.142 179.600 177.584 -0.211 0.000 1.181 135 A CA 1.693 53.199 52.037 -0.885 0.000 0.620 135 A CB -0.731 17.624 19.000 -1.076 0.000 0.819 135 A HN 0.385 nan 8.150 nan 0.000 0.442 136 R N -1.060 119.356 120.500 -0.140 0.000 2.096 136 R HA -0.129 4.211 4.340 -0.001 0.000 0.235 136 R C 1.703 177.932 176.300 -0.118 0.000 1.127 136 R CA 1.998 58.024 56.100 -0.123 0.000 0.968 136 R CB -0.796 29.381 30.300 -0.204 0.000 0.861 136 R HN 0.492 nan 8.270 nan 0.000 0.440 137 F N -0.517 119.333 119.950 -0.166 0.000 2.118 137 F HA -0.056 4.470 4.527 -0.001 0.000 0.293 137 F C 1.881 177.590 175.800 -0.152 0.000 1.102 137 F CA 1.339 59.308 58.000 -0.051 0.000 1.247 137 F CB -0.756 38.149 39.000 -0.159 0.000 1.017 137 F HN 0.086 nan 8.300 nan 0.000 0.475 138 Y N 0.369 120.435 120.300 -0.389 0.000 2.207 138 Y HA -0.265 4.284 4.550 -0.001 0.000 0.287 138 Y C 2.616 178.303 175.900 -0.356 0.000 1.156 138 Y CA 2.256 60.103 58.100 -0.421 0.000 1.182 138 Y CB -0.678 37.644 38.460 -0.230 0.000 0.979 138 Y HN 0.139 nan 8.280 nan 0.000 0.521 139 H N -0.964 118.090 119.070 -0.027 0.000 2.546 139 H HA -0.041 4.514 4.556 -0.001 0.000 0.277 139 H C 0.839 176.065 175.328 -0.170 0.000 1.004 139 H CA 1.260 57.261 56.048 -0.079 0.000 1.231 139 H CB 0.023 29.791 29.762 0.010 0.000 1.382 139 H HN 0.451 nan 8.280 nan 0.000 0.580 140 D N -0.067 120.239 120.400 -0.157 0.000 2.360 140 D HA 0.094 4.733 4.640 -0.001 0.000 0.210 140 D C 0.572 176.690 176.300 -0.304 0.000 1.047 140 D CA 0.038 53.932 54.000 -0.176 0.000 0.854 140 D CB 0.509 41.237 40.800 -0.120 0.000 0.936 140 D HN 0.185 nan 8.370 nan 0.000 0.514 141 L N 0.698 121.641 121.223 -0.466 0.000 2.397 141 L HA 0.342 4.681 4.340 -0.001 0.000 0.271 141 L C 1.351 178.028 176.870 -0.321 0.000 1.148 141 L CA -0.622 53.936 54.840 -0.470 0.000 0.825 141 L CB 0.984 42.677 42.059 -0.611 0.000 1.117 141 L HN -0.028 nan 8.230 nan 0.000 0.456 142 G N 0.925 109.586 108.800 -0.232 0.000 2.636 142 G HA2 0.025 3.985 3.960 -0.001 0.000 0.246 142 G HA3 0.025 3.985 3.960 -0.001 0.000 0.246 142 G C 0.662 175.463 174.900 -0.164 0.000 1.216 142 G CA -0.284 44.721 45.100 -0.159 0.000 0.854 142 G HN 0.808 nan 8.290 nan 0.000 0.572 143 E N 0.160 120.295 120.200 -0.110 0.000 2.118 143 E HA -0.212 4.137 4.350 -0.001 0.000 0.195 143 E C 2.192 178.754 176.600 -0.063 0.000 0.992 143 E CA 1.656 58.008 56.400 -0.080 0.000 0.804 143 E CB -0.127 29.551 29.700 -0.036 0.000 0.741 143 E HN 0.604 nan 8.360 nan 0.000 0.458 144 N N -0.006 118.658 118.700 -0.060 0.000 2.104 144 N HA -0.193 4.546 4.740 -0.001 0.000 0.190 144 N C 1.418 176.893 175.510 -0.058 0.000 1.024 144 N CA 1.291 54.313 53.050 -0.048 0.000 0.853 144 N CB 0.026 38.483 38.487 -0.050 0.000 1.008 144 N HN 0.030 nan 8.380 nan 0.000 0.424 145 K N 1.233 121.579 120.400 -0.090 0.000 2.155 145 K HA -0.009 4.311 4.320 -0.001 0.000 0.203 145 K C 2.011 178.575 176.600 -0.059 0.000 1.052 145 K CA 0.593 56.827 56.287 -0.089 0.000 0.948 145 K CB -0.160 32.266 32.500 -0.123 0.000 0.728 145 K HN 0.315 nan 8.250 nan 0.000 0.448 146 K N 0.789 121.110 120.400 -0.130 0.000 2.063 146 K HA -0.065 4.254 4.320 -0.001 0.000 0.208 146 K C 2.251 178.928 176.600 0.128 0.000 1.048 146 K CA 1.033 57.260 56.287 -0.099 0.000 0.928 146 K CB -0.183 32.152 32.500 -0.275 0.000 0.713 146 K HN 0.040 nan 8.250 nan 0.000 0.442 147 L N 1.044 122.310 121.223 0.071 0.000 2.046 147 L HA -0.223 4.117 4.340 -0.001 0.000 0.208 147 L C 2.574 179.509 176.870 0.109 0.000 1.077 147 L CA 1.306 56.205 54.840 0.098 0.000 0.747 147 L CB -0.405 41.689 42.059 0.057 0.000 0.896 147 L HN 0.257 nan 8.230 nan 0.000 0.432 148 Q N -0.861 118.983 119.800 0.072 0.000 2.084 148 Q HA -0.271 4.069 4.340 -0.001 0.000 0.202 148 Q C 2.216 178.304 176.000 0.146 0.000 0.978 148 Q CA 1.725 57.576 55.803 0.080 0.000 0.844 148 Q CB -0.208 28.509 28.738 -0.034 0.000 0.898 148 Q HN 0.369 nan 8.270 nan 0.000 0.426 149 M N 1.133 120.850 119.600 0.195 0.000 2.117 149 M HA -0.147 4.332 4.480 -0.001 0.000 0.262 149 M C 1.606 178.092 176.300 0.310 0.000 1.065 149 M CA 1.744 57.228 55.300 0.306 0.000 1.114 149 M CB 0.039 32.923 32.600 0.474 0.000 1.361 149 M HN -0.095 nan 8.290 nan 0.000 0.408 150 K N -1.127 119.451 120.400 0.297 0.000 2.147 150 K HA -0.115 4.204 4.320 -0.001 0.000 0.205 150 K C 2.257 178.957 176.600 0.166 0.000 1.049 150 K CA 1.498 57.928 56.287 0.239 0.000 0.936 150 K CB -0.377 32.251 32.500 0.213 0.000 0.722 150 K HN 0.405 nan 8.250 nan 0.000 0.446 151 S N 1.540 117.328 115.700 0.147 0.000 2.383 151 S HA -0.082 4.388 4.470 -0.001 0.000 0.227 151 S C 1.929 176.587 174.600 0.098 0.000 1.026 151 S CA 0.957 59.224 58.200 0.111 0.000 0.981 151 S CB -0.216 63.052 63.200 0.113 0.000 0.818 151 S HN 0.388 nan 8.310 nan 0.000 0.472 152 I N -1.005 119.634 120.570 0.114 0.000 2.928 152 I HA 0.077 4.246 4.170 -0.001 0.000 0.266 152 I C 1.818 177.969 176.117 0.056 0.000 1.234 152 I CA 0.576 61.923 61.300 0.079 0.000 1.483 152 I CB -0.325 37.722 38.000 0.079 0.000 1.097 152 I HN 0.087 nan 8.210 nan 0.000 0.455 153 V N 1.618 121.585 119.914 0.088 0.000 2.346 153 V HA -0.180 3.939 4.120 -0.001 0.000 0.244 153 V C 2.693 178.820 176.094 0.056 0.000 1.037 153 V CA 1.977 64.316 62.300 0.064 0.000 1.029 153 V CB -0.685 31.237 31.823 0.165 0.000 0.663 153 V HN 0.428 nan 8.190 nan 0.000 0.454 154 K N 1.537 121.979 120.400 0.071 0.000 2.097 154 K HA -0.217 4.102 4.320 -0.001 0.000 0.206 154 K C 1.708 178.325 176.600 0.028 0.000 1.049 154 K CA 1.818 58.134 56.287 0.048 0.000 0.933 154 K CB -0.201 32.331 32.500 0.053 0.000 0.717 154 K HN 0.664 nan 8.250 nan 0.000 0.442 155 N N -0.535 118.182 118.700 0.028 0.000 2.398 155 N HA 0.007 4.747 4.740 -0.001 0.000 0.188 155 N C 0.820 176.333 175.510 0.004 0.000 1.122 155 N CA 1.005 54.064 53.050 0.015 0.000 0.866 155 N CB 0.430 38.926 38.487 0.015 0.000 0.970 155 N HN 0.329 nan 8.380 nan 0.000 0.462 156 G N -0.192 108.606 108.800 -0.002 0.000 2.159 156 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.256 156 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.256 156 G C 0.795 175.680 174.900 -0.025 0.000 0.977 156 G CA 0.497 45.584 45.100 -0.021 0.000 0.652 156 G HN 0.463 nan 8.290 nan 0.000 0.531 157 Q N -1.323 118.470 119.800 -0.011 0.000 2.096 157 Q HA 0.228 4.568 4.340 -0.001 0.000 0.197 157 Q C 1.143 177.136 176.000 -0.012 0.000 0.964 157 Q CA 0.973 56.776 55.803 -0.001 0.000 0.838 157 Q CB 0.207 28.950 28.738 0.009 0.000 0.906 157 Q HN 0.563 nan 8.270 nan 0.000 0.444 158 L N 1.166 122.361 121.223 -0.046 0.000 2.282 158 L HA 0.303 4.643 4.340 -0.001 0.000 0.288 158 L C -0.956 175.740 176.870 -0.290 0.000 1.033 158 L CA -0.081 54.683 54.840 -0.126 0.000 0.807 158 L CB 1.504 43.492 42.059 -0.118 0.000 1.209 158 L HN -0.071 nan 8.230 nan 0.000 0.423 159 E N 4.176 124.158 120.200 -0.363 0.000 2.234 159 E HA 0.366 4.716 4.350 -0.001 0.000 0.266 159 E C -1.528 174.787 176.600 -0.475 0.000 0.877 159 E CA -0.713 55.473 56.400 -0.358 0.000 0.758 159 E CB 1.023 30.595 29.700 -0.213 0.000 1.170 159 E HN 0.490 nan 8.360 nan 0.000 0.415 160 F N 3.080 122.973 119.950 -0.095 0.000 2.412 160 F HA 0.236 4.762 4.527 -0.001 0.000 0.348 160 F C 0.289 176.046 175.800 -0.072 0.000 1.102 160 F CA -0.521 57.434 58.000 -0.076 0.000 1.196 160 F CB 1.276 40.243 39.000 -0.056 0.000 1.144 160 F HN 0.187 nan 8.300 nan 0.000 0.541 161 V N 0.011 119.970 119.914 0.076 0.000 2.495 161 V HA 0.647 4.767 4.120 -0.001 0.000 0.298 161 V C 0.239 176.447 176.094 0.190 0.000 1.031 161 V CA -0.520 61.819 62.300 0.064 0.000 0.871 161 V CB 0.869 32.603 31.823 -0.149 0.000 0.988 161 V HN 0.982 nan 8.190 nan 0.000 0.432 162 T N 3.298 118.041 114.554 0.315 0.000 12.940 162 T HA -0.304 4.046 4.350 -0.001 0.000 0.419 162 T C 1.725 176.652 174.700 0.378 0.000 1.444 162 T CA 2.876 65.218 62.100 0.403 0.000 2.373 162 T CB -1.682 67.329 68.868 0.237 0.000 2.821 162 T HN 2.780 nan 8.240 nan 0.000 0.696 163 G N 1.789 110.749 108.800 0.267 0.000 2.136 163 G HA2 0.119 4.078 3.960 -0.001 0.000 0.242 163 G HA3 0.119 4.078 3.960 -0.001 0.000 0.242 163 G C 0.284 175.327 174.900 0.239 0.000 0.989 163 G CA 0.565 45.801 45.100 0.227 0.000 0.682 163 G HN 1.556 nan 8.290 nan 0.000 0.522 164 G N -1.613 107.326 108.800 0.232 0.000 2.537 164 G HA2 0.380 4.339 3.960 -0.001 0.000 0.273 164 G HA3 0.380 4.339 3.960 -0.001 0.000 0.273 164 G C 0.963 176.041 174.900 0.297 0.000 1.189 164 G CA 0.157 45.407 45.100 0.250 0.000 0.881 164 G HN 0.338 nan 8.290 nan 0.000 0.535 165 W N 0.565 121.914 121.300 0.081 0.000 2.325 165 W HA -0.059 4.600 4.660 -0.001 0.000 0.299 165 W C 0.650 177.204 176.519 0.058 0.000 1.215 165 W CA 1.951 59.329 57.345 0.056 0.000 1.244 165 W CB 0.243 29.718 29.460 0.026 0.000 1.140 165 W HN 0.407 nan 8.180 nan 0.000 0.523 166 V N -2.824 117.217 119.914 0.211 0.000 3.105 166 V HA 0.500 4.620 4.120 -0.001 0.000 0.311 166 V C -0.472 175.714 176.094 0.155 0.000 1.287 166 V CA -1.288 61.084 62.300 0.120 0.000 1.066 166 V CB 1.743 33.658 31.823 0.153 0.000 1.105 166 V HN -0.063 nan 8.190 nan 0.000 0.462 167 M N 3.984 123.705 119.600 0.201 0.000 2.103 167 M HA 0.516 4.996 4.480 -0.001 0.000 0.350 167 M C -2.721 173.743 176.300 0.272 0.000 1.100 167 M CA -1.913 53.517 55.300 0.217 0.000 1.042 167 M CB 1.507 34.254 32.600 0.246 0.000 1.368 167 M HN 0.653 nan 8.290 nan 0.000 0.404 168 P HA 0.111 nan 4.420 nan 0.000 0.274 168 P C -0.929 176.385 177.300 0.024 0.000 1.231 168 P CA -0.143 63.012 63.100 0.091 0.000 0.790 168 P CB 0.601 32.342 31.700 0.068 0.000 0.951 169 D N 1.056 121.434 120.400 -0.036 0.000 2.478 169 D HA -0.083 4.557 4.640 -0.001 0.000 0.234 169 D C 0.719 177.039 176.300 0.032 0.000 1.154 169 D CA 0.693 54.657 54.000 -0.061 0.000 0.874 169 D CB 0.445 41.223 40.800 -0.038 0.000 1.198 169 D HN 0.321 nan 8.370 nan 0.000 0.455 170 E N 1.430 121.695 120.200 0.107 0.000 2.511 170 E HA 0.183 4.532 4.350 -0.001 0.000 0.209 170 E C 0.903 177.686 176.600 0.305 0.000 0.986 170 E CA 0.041 56.568 56.400 0.212 0.000 0.974 170 E CB 0.656 30.499 29.700 0.239 0.000 1.030 170 E HN 0.482 nan 8.360 nan 0.000 0.490 171 A N 1.456 124.406 122.820 0.216 0.000 1.901 171 A HA 0.018 4.337 4.320 -0.001 0.000 0.210 171 A C 1.819 179.288 177.584 -0.191 0.000 1.208 171 A CA 0.607 52.533 52.037 -0.184 0.000 0.644 171 A CB 0.045 18.906 19.000 -0.232 0.000 0.863 171 A HN 0.033 nan 8.150 nan 0.000 0.454 172 N N 0.602 119.284 118.700 -0.031 0.000 2.356 172 N HA 0.014 4.753 4.740 -0.001 0.000 0.178 172 N C 0.420 175.922 175.510 -0.013 0.000 1.075 172 N CA 0.743 53.769 53.050 -0.039 0.000 0.889 172 N CB 0.085 38.595 38.487 0.039 0.000 0.999 172 N HN 0.495 nan 8.380 nan 0.000 0.464 173 S N 0.806 116.509 115.700 0.005 0.000 2.549 173 S HA 0.027 4.496 4.470 -0.001 0.000 0.283 173 S C 0.055 174.672 174.600 0.029 0.000 1.320 173 S CA -0.543 57.672 58.200 0.025 0.000 1.058 173 S CB 1.062 64.280 63.200 0.030 0.000 0.882 173 S HN 0.205 nan 8.310 nan 0.000 0.498 174 H N 3.468 122.522 119.070 -0.028 0.000 2.652 174 H HA 0.035 4.591 4.556 -0.001 0.000 0.349 174 H C 1.274 176.585 175.328 -0.030 0.000 1.099 174 H CA -0.167 55.853 56.048 -0.047 0.000 1.417 174 H CB 0.525 30.210 29.762 -0.128 0.000 1.457 174 H HN 1.031 nan 8.280 nan 0.000 0.568 175 W N 5.735 126.941 121.300 -0.155 0.000 2.350 175 W HA -0.174 4.485 4.660 -0.001 0.000 0.289 175 W C 1.103 177.695 176.519 0.122 0.000 1.215 175 W CA 0.428 57.760 57.345 -0.021 0.000 1.236 175 W CB -0.467 28.919 29.460 -0.124 0.000 1.130 175 W HN 0.534 nan 8.180 nan 0.000 0.541 176 R N 0.782 120.932 120.500 -0.582 0.000 2.096 176 R HA -0.131 4.208 4.340 -0.001 0.000 0.235 176 R C 1.982 178.130 176.300 -0.253 0.000 1.127 176 R CA 1.868 57.524 56.100 -0.740 0.000 0.968 176 R CB -0.413 29.388 30.300 -0.831 0.000 0.861 176 R HN 0.144 nan 8.270 nan 0.000 0.440 177 N N -0.248 118.385 118.700 -0.111 0.000 2.376 177 N HA -0.050 4.690 4.740 -0.001 0.000 0.177 177 N C 1.666 177.183 175.510 0.012 0.000 1.024 177 N CA 0.640 53.662 53.050 -0.046 0.000 0.893 177 N CB 0.067 38.546 38.487 -0.015 0.000 0.980 177 N HN -0.000 nan 8.380 nan 0.000 0.439 178 V N 1.295 121.240 119.914 0.052 0.000 2.358 178 V HA -0.153 3.966 4.120 -0.001 0.000 0.246 178 V C 2.288 178.428 176.094 0.078 0.000 1.047 178 V CA 1.014 63.361 62.300 0.079 0.000 1.035 178 V CB -0.429 31.461 31.823 0.111 0.000 0.658 178 V HN 0.192 nan 8.190 nan 0.000 0.452 179 L N -0.279 121.000 121.223 0.093 0.000 2.093 179 L HA -0.092 4.247 4.340 -0.001 0.000 0.208 179 L C 2.153 179.035 176.870 0.021 0.000 1.085 179 L CA 1.756 56.644 54.840 0.079 0.000 0.755 179 L CB -0.658 41.484 42.059 0.138 0.000 0.904 179 L HN 0.280 nan 8.230 nan 0.000 0.435 180 L N -0.028 121.186 121.223 -0.015 0.000 2.012 180 L HA -0.245 4.094 4.340 -0.001 0.000 0.210 180 L C 2.562 179.422 176.870 -0.017 0.000 1.073 180 L CA 2.338 57.156 54.840 -0.036 0.000 0.748 180 L CB -0.747 41.272 42.059 -0.067 0.000 0.891 180 L HN 0.680 nan 8.230 nan 0.000 0.431 181 Q N -1.033 118.780 119.800 0.022 0.000 2.172 181 Q HA -0.176 4.163 4.340 -0.001 0.000 0.200 181 Q C 2.023 178.108 176.000 0.142 0.000 0.964 181 Q CA 1.947 57.797 55.803 0.078 0.000 0.855 181 Q CB -1.141 27.679 28.738 0.136 0.000 0.918 181 Q HN 0.464 nan 8.270 nan 0.000 0.444 182 L N 0.846 122.137 121.223 0.114 0.000 2.046 182 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 182 L C 1.919 178.872 176.870 0.138 0.000 1.077 182 L CA 2.441 57.363 54.840 0.136 0.000 0.747 182 L CB -0.978 41.138 42.059 0.094 0.000 0.896 182 L HN 0.332 nan 8.230 nan 0.000 0.432 183 T N -1.064 113.538 114.554 0.080 0.000 2.821 183 T HA -0.165 4.184 4.350 -0.001 0.000 0.267 183 T C 1.717 176.470 174.700 0.088 0.000 1.046 183 T CA 1.373 63.513 62.100 0.066 0.000 1.139 183 T CB -0.133 68.742 68.868 0.012 0.000 0.871 183 T HN 0.331 nan 8.240 nan 0.000 0.454 184 E N 1.034 121.261 120.200 0.045 0.000 2.047 184 E HA -0.023 4.326 4.350 -0.001 0.000 0.191 184 E C 2.352 179.086 176.600 0.222 0.000 0.987 184 E CA 1.479 57.860 56.400 -0.031 0.000 0.799 184 E CB -0.838 28.643 29.700 -0.366 0.000 0.752 184 E HN 0.435 nan 8.360 nan 0.000 0.449 185 G N -0.086 108.951 108.800 0.395 0.000 2.402 185 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.216 185 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.216 185 G C 1.493 176.624 174.900 0.386 0.000 1.162 185 G CA 0.642 46.068 45.100 0.543 0.000 0.777 185 G HN 0.254 nan 8.290 nan 0.000 0.539 186 Q N -0.163 119.795 119.800 0.262 0.000 2.172 186 Q HA -0.053 4.287 4.340 -0.001 0.000 0.200 186 Q C 2.798 178.897 176.000 0.166 0.000 0.964 186 Q CA 1.401 57.316 55.803 0.186 0.000 0.855 186 Q CB -0.202 28.626 28.738 0.150 0.000 0.918 186 Q HN 0.407 nan 8.270 nan 0.000 0.444 187 T N 0.223 114.885 114.554 0.181 0.000 2.746 187 T HA -0.186 4.163 4.350 -0.001 0.000 0.267 187 T C 1.098 175.899 174.700 0.168 0.000 1.039 187 T CA 1.109 63.290 62.100 0.136 0.000 1.142 187 T CB -0.363 68.582 68.868 0.127 0.000 0.866 187 T HN 0.473 nan 8.240 nan 0.000 0.444 188 W N 1.560 122.969 121.300 0.182 0.000 2.355 188 W HA -0.013 4.646 4.660 -0.001 0.000 0.309 188 W C 1.773 178.421 176.519 0.215 0.000 1.206 188 W CA 0.854 58.395 57.345 0.326 0.000 1.284 188 W CB -0.418 29.303 29.460 0.435 0.000 1.145 188 W HN 0.141 nan 8.180 nan 0.000 0.502 189 L N 0.621 122.041 121.223 0.329 0.000 2.083 189 L HA -0.227 4.112 4.340 -0.001 0.000 0.209 189 L C 2.598 179.390 176.870 -0.128 0.000 1.083 189 L CA 1.783 56.639 54.840 0.026 0.000 0.752 189 L CB -0.903 41.121 42.059 -0.059 0.000 0.899 189 L HN -0.019 nan 8.230 nan 0.000 0.433 190 K N 0.044 120.392 120.400 -0.087 0.000 2.057 190 K HA -0.253 4.067 4.320 -0.001 0.000 0.206 190 K C 2.193 178.649 176.600 -0.239 0.000 1.050 190 K CA 1.523 57.736 56.287 -0.124 0.000 0.935 190 K CB -0.002 32.453 32.500 -0.076 0.000 0.715 190 K HN 0.242 nan 8.250 nan 0.000 0.439 191 Q N -0.815 118.769 119.800 -0.360 0.000 2.046 191 Q HA -0.138 4.202 4.340 -0.001 0.000 0.200 191 Q C 1.430 176.911 176.000 -0.865 0.000 0.975 191 Q CA 1.726 57.146 55.803 -0.637 0.000 0.836 191 Q CB 0.053 28.284 28.738 -0.845 0.000 0.896 191 Q HN 0.304 nan 8.270 nan 0.000 0.428 192 F N -1.494 118.080 119.950 -0.626 0.000 2.622 192 F HA 0.125 4.651 4.527 -0.001 0.000 0.288 192 F C 1.612 177.123 175.800 -0.482 0.000 1.120 192 F CA 0.231 57.821 58.000 -0.683 0.000 1.423 192 F CB 0.414 38.581 39.000 -1.390 0.000 1.127 192 F HN 0.105 nan 8.300 nan 0.000 0.588 193 M N -0.996 118.449 119.600 -0.259 0.000 2.308 193 M HA 0.224 4.704 4.480 -0.001 0.000 0.269 193 M C 0.313 176.588 176.300 -0.042 0.000 1.040 193 M CA 0.177 55.427 55.300 -0.083 0.000 1.024 193 M CB -1.079 31.497 32.600 -0.040 0.000 1.465 193 M HN 0.095 nan 8.290 nan 0.000 0.517 194 N N 1.896 120.536 118.700 -0.099 0.000 2.740 194 N HA -0.131 4.608 4.740 -0.001 0.000 0.248 194 N C -0.989 174.501 175.510 -0.034 0.000 1.062 194 N CA 0.738 53.745 53.050 -0.070 0.000 0.704 194 N CB -0.953 37.506 38.487 -0.046 0.000 0.968 194 N HN 0.362 nan 8.380 nan 0.000 0.547 195 V N -3.954 115.941 119.914 -0.032 0.000 3.049 195 V HA 0.876 4.995 4.120 -0.001 0.000 0.309 195 V C 0.016 176.095 176.094 -0.026 0.000 1.148 195 V CA -0.493 61.804 62.300 -0.006 0.000 0.990 195 V CB 2.347 34.212 31.823 0.070 0.000 1.039 195 V HN 0.054 nan 8.190 nan 0.000 0.430 196 T N 3.633 118.162 114.554 -0.042 0.000 2.930 196 T HA 0.573 4.922 4.350 -0.001 0.000 0.313 196 T C -2.762 171.853 174.700 -0.140 0.000 1.019 196 T CA -0.763 61.293 62.100 -0.074 0.000 1.004 196 T CB 1.374 70.189 68.868 -0.088 0.000 0.987 196 T HN 0.760 nan 8.240 nan 0.000 0.456 197 P HA 0.169 nan 4.420 nan 0.000 0.266 197 P C 0.859 177.769 177.300 -0.649 0.000 1.195 197 P CA -0.153 62.823 63.100 -0.208 0.000 0.768 197 P CB 0.544 32.234 31.700 -0.017 0.000 0.838 198 T N -1.672 112.555 114.554 -0.546 0.000 3.040 198 T HA 0.536 4.885 4.350 -0.001 0.000 0.266 198 T C 0.350 174.865 174.700 -0.309 0.000 1.005 198 T CA -0.271 61.392 62.100 -0.728 0.000 0.906 198 T CB 0.145 68.793 68.868 -0.365 0.000 1.082 198 T HN 0.407 nan 8.240 nan 0.000 0.531 199 A N 0.858 123.653 122.820 -0.042 0.000 2.343 199 A HA 0.797 5.116 4.320 -0.001 0.000 0.316 199 A C -0.188 177.656 177.584 0.434 0.000 1.104 199 A CA -0.703 51.463 52.037 0.216 0.000 0.768 199 A CB 1.820 20.964 19.000 0.240 0.000 1.213 199 A HN 0.258 nan 8.150 nan 0.000 0.456 200 S N 2.186 118.138 115.700 0.420 0.000 2.509 200 S HA 0.665 5.135 4.470 -0.001 0.000 0.297 200 S C -1.114 173.680 174.600 0.323 0.000 1.118 200 S CA -0.430 57.959 58.200 0.314 0.000 1.074 200 S CB 0.727 63.943 63.200 0.026 0.000 1.038 200 S HN 0.803 nan 8.310 nan 0.000 0.498 201 W N 4.802 126.115 121.300 0.022 0.000 2.499 201 W HA 0.635 5.294 4.660 -0.001 0.000 0.320 201 W C -1.450 175.011 176.519 -0.097 0.000 1.010 201 W CA -0.857 56.450 57.345 -0.064 0.000 1.267 201 W CB 1.138 30.530 29.460 -0.112 0.000 1.316 201 W HN 0.783 nan 8.180 nan 0.000 0.431 202 A N 7.944 130.624 122.820 -0.234 0.000 2.893 202 A HA 0.279 4.598 4.320 -0.001 0.000 0.333 202 A C 0.330 177.650 177.584 -0.439 0.000 1.152 202 A CA -0.482 51.407 52.037 -0.246 0.000 0.782 202 A CB -0.347 18.630 19.000 -0.038 0.000 1.108 202 A HN 0.705 nan 8.150 nan 0.000 0.469 203 I N -2.636 117.469 120.570 -0.774 0.000 3.603 203 I HA 0.238 4.407 4.170 -0.001 0.000 0.297 203 I C 0.853 176.598 176.117 -0.620 0.000 1.269 203 I CA 0.934 61.725 61.300 -0.849 0.000 1.361 203 I CB 0.346 37.533 38.000 -1.354 0.000 1.063 203 I HN 0.332 nan 8.210 nan 0.000 0.448 204 D N 0.381 120.386 120.400 -0.658 0.000 2.498 204 D HA 0.244 4.883 4.640 -0.001 0.000 0.223 204 D C -2.165 173.683 176.300 -0.754 0.000 1.125 204 D CA -0.839 52.782 54.000 -0.632 0.000 0.835 204 D CB 0.043 40.379 40.800 -0.774 0.000 1.086 204 D HN 0.184 nan 8.370 nan 0.000 0.510 205 P HA 0.028 nan 4.420 nan 0.000 0.267 205 P C -0.531 176.306 177.300 -0.771 0.000 1.200 205 P CA 0.097 62.674 63.100 -0.871 0.000 0.772 205 P CB 0.186 31.546 31.700 -0.566 0.000 0.855 206 F N 2.220 121.944 119.950 -0.376 0.000 2.541 206 F HA 0.542 5.068 4.527 -0.001 0.000 0.351 206 F C 1.434 177.182 175.800 -0.086 0.000 1.209 206 F CA -0.533 57.200 58.000 -0.444 0.000 1.277 206 F CB -1.084 37.791 39.000 -0.208 0.000 1.632 206 F HN 0.505 nan 8.300 nan 0.000 0.619 207 G N 1.211 109.767 108.800 -0.407 0.000 2.619 207 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.686 207 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.686 207 G C -1.528 172.995 174.900 -0.629 0.000 1.256 207 G CA -1.173 43.771 45.100 -0.261 0.000 0.826 207 G HN 0.604 nan 8.290 nan 0.000 0.619 208 H N -0.626 118.137 119.070 -0.512 0.000 2.717 208 H HA 0.746 5.302 4.556 -0.001 0.000 0.366 208 H C -0.400 174.811 175.328 -0.196 0.000 1.132 208 H CA 0.037 55.976 56.048 -0.182 0.000 1.180 208 H CB 2.033 31.857 29.762 0.103 0.000 1.678 208 H HN 0.682 nan 8.280 nan 0.000 0.537 209 S N 2.349 118.188 115.700 0.231 0.000 2.501 209 S HA 0.265 4.735 4.470 -0.001 0.000 0.301 209 S C -1.787 172.827 174.600 0.023 0.000 1.096 209 S CA -1.788 56.555 58.200 0.239 0.000 1.063 209 S CB 1.320 64.708 63.200 0.313 0.000 1.042 209 S HN 0.447 nan 8.310 nan 0.000 0.494 210 P HA 0.017 nan 4.420 nan 0.000 0.234 210 P C 1.093 178.125 177.300 -0.446 0.000 1.167 210 P CA 0.719 63.398 63.100 -0.702 0.000 0.763 210 P CB -0.243 31.212 31.700 -0.409 0.000 0.835 211 T N -0.109 114.326 114.554 -0.198 0.000 2.833 211 T HA -0.100 4.249 4.350 -0.001 0.000 0.269 211 T C 1.833 176.482 174.700 -0.085 0.000 1.054 211 T CA 1.212 63.238 62.100 -0.123 0.000 1.135 211 T CB -0.397 68.440 68.868 -0.052 0.000 0.869 211 T HN -0.006 nan 8.240 nan 0.000 0.466 212 M N 0.962 120.472 119.600 -0.151 0.000 2.059 212 M HA -0.009 4.471 4.480 -0.001 0.000 0.259 212 M C -0.611 175.550 176.300 -0.231 0.000 1.072 212 M CA 1.305 56.515 55.300 -0.150 0.000 1.117 212 M CB -2.541 29.998 32.600 -0.100 0.000 1.320 212 M HN 0.138 nan 8.290 nan 0.000 0.408 213 P HA -0.194 nan 4.420 nan 0.000 0.220 213 P C 1.669 178.843 177.300 -0.210 0.000 1.148 213 P CA 1.394 64.303 63.100 -0.319 0.000 0.803 213 P CB -0.430 30.990 31.700 -0.466 0.000 0.782 214 Y N 1.124 121.238 120.300 -0.311 0.000 2.097 214 Y HA -0.198 4.351 4.550 -0.001 0.000 0.282 214 Y C 2.401 178.215 175.900 -0.142 0.000 1.152 214 Y CA 1.675 59.656 58.100 -0.199 0.000 1.136 214 Y CB -0.960 37.397 38.460 -0.171 0.000 0.975 214 Y HN -0.241 nan 8.280 nan 0.000 0.498 215 I N -0.402 120.180 120.570 0.018 0.000 2.252 215 I HA -0.304 3.865 4.170 -0.001 0.000 0.245 215 I C 2.283 178.324 176.117 -0.128 0.000 1.102 215 I CA 1.181 62.460 61.300 -0.035 0.000 1.385 215 I CB -0.410 37.631 38.000 0.069 0.000 1.064 215 I HN 0.270 nan 8.210 nan 0.000 0.414 216 L N 0.097 121.195 121.223 -0.210 0.000 2.046 216 L HA -0.228 4.111 4.340 -0.001 0.000 0.208 216 L C 2.693 179.537 176.870 -0.043 0.000 1.077 216 L CA 1.213 55.858 54.840 -0.325 0.000 0.747 216 L CB -0.730 40.949 42.059 -0.633 0.000 0.896 216 L HN 0.345 nan 8.230 nan 0.000 0.432 217 Q N 1.141 120.886 119.800 -0.092 0.000 2.226 217 Q HA -0.197 4.142 4.340 -0.001 0.000 0.204 217 Q C 1.662 177.620 176.000 -0.069 0.000 0.975 217 Q CA 1.516 57.288 55.803 -0.051 0.000 0.866 217 Q CB 0.110 28.790 28.738 -0.097 0.000 0.915 217 Q HN 0.465 nan 8.270 nan 0.000 0.440 218 K N -0.498 119.820 120.400 -0.137 0.000 2.458 218 K HA 0.119 4.438 4.320 -0.001 0.000 0.194 218 K C 0.629 177.193 176.600 -0.060 0.000 1.024 218 K CA 0.092 56.294 56.287 -0.141 0.000 1.108 218 K CB 0.532 32.877 32.500 -0.259 0.000 0.846 218 K HN -0.077 nan 8.250 nan 0.000 0.518 219 S N -0.185 115.534 115.700 0.031 0.000 2.741 219 S HA 0.202 4.671 4.470 -0.001 0.000 0.247 219 S C 0.761 175.467 174.600 0.176 0.000 1.050 219 S CA 0.106 58.373 58.200 0.113 0.000 1.025 219 S CB 1.269 64.579 63.200 0.183 0.000 0.897 219 S HN 0.526 nan 8.310 nan 0.000 0.508 220 G N 1.194 110.049 108.800 0.091 0.000 2.176 220 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.253 220 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.253 220 G C -0.011 174.869 174.900 -0.034 0.000 0.979 220 G CA -0.364 44.733 45.100 -0.006 0.000 0.641 220 G HN 0.440 nan 8.290 nan 0.000 0.530 221 F N 0.253 120.161 119.950 -0.069 0.000 2.444 221 F HA 0.594 5.120 4.527 -0.001 0.000 0.331 221 F C 1.562 177.302 175.800 -0.101 0.000 1.167 221 F CA -0.026 57.928 58.000 -0.076 0.000 1.262 221 F CB 0.901 39.860 39.000 -0.069 0.000 1.196 221 F HN -0.198 nan 8.300 nan 0.000 0.583 222 K N 0.734 121.151 120.400 0.029 0.000 2.425 222 K HA 0.250 4.569 4.320 -0.001 0.000 0.201 222 K C -0.596 175.939 176.600 -0.108 0.000 1.128 222 K CA 0.079 56.322 56.287 -0.073 0.000 1.000 222 K CB 0.167 32.575 32.500 -0.153 0.000 0.961 222 K HN 0.609 nan 8.250 nan 0.000 0.555 223 N N 0.188 118.807 118.700 -0.135 0.000 2.484 223 N HA 0.468 5.207 4.740 -0.001 0.000 0.269 223 N C -1.144 174.210 175.510 -0.261 0.000 1.237 223 N CA -0.657 52.149 53.050 -0.407 0.000 0.838 223 N CB 2.261 39.923 38.487 -1.374 0.000 1.593 223 N HN -0.104 nan 8.380 nan 0.000 0.485 224 M N -0.241 119.217 119.600 -0.236 0.000 2.569 224 M HA 0.632 5.112 4.480 -0.001 0.000 0.279 224 M C -2.065 174.304 176.300 0.115 0.000 1.253 224 M CA -0.951 54.343 55.300 -0.010 0.000 0.867 224 M CB 2.464 35.050 32.600 -0.023 0.000 1.727 224 M HN 0.503 nan 8.290 nan 0.000 0.467 225 L N 3.515 124.825 121.223 0.146 0.000 2.386 225 L HA 0.877 5.217 4.340 -0.001 0.000 0.271 225 L C -1.471 175.283 176.870 -0.194 0.000 0.993 225 L CA -0.747 54.136 54.840 0.072 0.000 0.819 225 L CB 2.047 44.202 42.059 0.160 0.000 1.294 225 L HN 0.946 nan 8.230 nan 0.000 0.414 226 I N 0.914 121.276 120.570 -0.346 0.000 3.042 226 I HA 0.621 4.791 4.170 -0.001 0.000 0.310 226 I C -0.709 175.101 176.117 -0.511 0.000 1.117 226 I CA -0.561 60.336 61.300 -0.670 0.000 1.003 226 I CB 2.245 39.550 38.000 -1.158 0.000 1.228 226 I HN 0.742 nan 8.210 nan 0.000 0.443 227 Q N 2.056 121.619 119.800 -0.396 0.000 2.546 227 Q HA 0.336 4.676 4.340 -0.001 0.000 0.226 227 Q C -0.023 175.872 176.000 -0.175 0.000 0.769 227 Q CA 0.411 56.064 55.803 -0.251 0.000 0.954 227 Q CB 0.605 29.184 28.738 -0.265 0.000 1.319 227 Q HN 0.661 nan 8.270 nan 0.000 0.534 228 R N 2.004 122.413 120.500 -0.153 0.000 2.419 228 R HA 0.356 4.695 4.340 -0.001 0.000 0.305 228 R C -0.689 175.358 176.300 -0.422 0.000 1.242 228 R CA 0.567 56.330 56.100 -0.561 0.000 1.105 228 R CB 0.270 29.855 30.300 -1.191 0.000 1.116 228 R HN 0.388 nan 8.270 nan 0.000 0.523 229 T N -2.326 112.215 114.554 -0.021 0.000 2.916 229 T HA 0.142 4.491 4.350 -0.001 0.000 0.292 229 T C -0.046 174.923 174.700 0.448 0.000 1.055 229 T CA -0.909 61.305 62.100 0.190 0.000 1.009 229 T CB 1.754 70.570 68.868 -0.086 0.000 1.118 229 T HN 0.432 nan 8.240 nan 0.000 0.497 230 H N 1.853 121.143 119.070 0.366 0.000 3.064 230 H HA -0.032 4.524 4.556 -0.001 0.000 0.329 230 H C 1.046 176.426 175.328 0.088 0.000 1.020 230 H CA 0.467 56.617 56.048 0.169 0.000 1.402 230 H CB 0.369 30.255 29.762 0.207 0.000 1.379 230 H HN 0.926 nan 8.280 nan 0.000 0.594 231 Y N 2.199 122.603 120.300 0.174 0.000 2.315 231 Y HA -0.157 4.393 4.550 -0.001 0.000 0.288 231 Y C 2.177 178.251 175.900 0.291 0.000 1.154 231 Y CA 0.938 59.172 58.100 0.223 0.000 1.229 231 Y CB -0.606 37.923 38.460 0.115 0.000 0.980 231 Y HN 0.286 nan 8.280 nan 0.000 0.540 232 S N 0.292 116.010 115.700 0.030 0.000 2.406 232 S HA -0.108 4.362 4.470 -0.001 0.000 0.228 232 S C 2.077 176.594 174.600 -0.139 0.000 1.020 232 S CA 1.120 59.237 58.200 -0.139 0.000 0.965 232 S CB -0.517 62.372 63.200 -0.518 0.000 0.798 232 S HN 0.371 nan 8.310 nan 0.000 0.488 233 V N 2.008 121.903 119.914 -0.033 0.000 2.358 233 V HA -0.168 3.951 4.120 -0.001 0.000 0.246 233 V C 2.219 178.350 176.094 0.063 0.000 1.047 233 V CA 1.586 63.900 62.300 0.023 0.000 1.035 233 V CB -0.511 31.432 31.823 0.199 0.000 0.658 233 V HN 0.410 nan 8.190 nan 0.000 0.452 234 K N 0.167 120.647 120.400 0.132 0.000 2.063 234 K HA -0.258 4.061 4.320 -0.001 0.000 0.208 234 K C 2.261 178.995 176.600 0.222 0.000 1.048 234 K CA 1.865 58.248 56.287 0.159 0.000 0.928 234 K CB -0.243 32.410 32.500 0.254 0.000 0.713 234 K HN 0.363 nan 8.250 nan 0.000 0.442 235 K N 1.168 121.698 120.400 0.217 0.000 2.026 235 K HA -0.228 4.091 4.320 -0.001 0.000 0.208 235 K C 2.141 178.834 176.600 0.154 0.000 1.048 235 K CA 1.702 58.124 56.287 0.226 0.000 0.929 235 K CB 0.043 32.606 32.500 0.104 0.000 0.713 235 K HN -0.032 nan 8.250 nan 0.000 0.439 236 E N 0.910 121.122 120.200 0.021 0.000 2.051 236 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 236 E C 1.931 178.525 176.600 -0.010 0.000 0.991 236 E CA 1.452 57.824 56.400 -0.047 0.000 0.799 236 E CB -0.204 29.420 29.700 -0.127 0.000 0.748 236 E HN 0.350 nan 8.360 nan 0.000 0.449 237 L N -0.223 121.003 121.223 0.006 0.000 2.093 237 L HA -0.081 4.259 4.340 -0.001 0.000 0.208 237 L C 2.500 179.389 176.870 0.032 0.000 1.085 237 L CA 0.952 55.789 54.840 -0.006 0.000 0.755 237 L CB -0.594 41.446 42.059 -0.033 0.000 0.904 237 L HN 0.207 nan 8.230 nan 0.000 0.435 238 A N -0.293 122.601 122.820 0.122 0.000 1.933 238 A HA -0.243 4.076 4.320 -0.001 0.000 0.218 238 A C 2.215 179.982 177.584 0.305 0.000 1.175 238 A CA 1.448 53.611 52.037 0.211 0.000 0.628 238 A CB -0.440 18.835 19.000 0.459 0.000 0.814 238 A HN 0.461 nan 8.150 nan 0.000 0.444 239 Q N -0.904 119.032 119.800 0.227 0.000 2.226 239 Q HA -0.143 4.196 4.340 -0.001 0.000 0.204 239 Q C 1.297 177.291 176.000 -0.009 0.000 0.975 239 Q CA 1.220 57.009 55.803 -0.025 0.000 0.866 239 Q CB -0.025 28.553 28.738 -0.268 0.000 0.915 239 Q HN 0.615 nan 8.270 nan 0.000 0.440 240 Q N -0.151 119.652 119.800 0.005 0.000 2.247 240 Q HA 0.135 4.475 4.340 -0.001 0.000 0.204 240 Q C -0.418 175.596 176.000 0.024 0.000 0.872 240 Q CA -0.023 55.779 55.803 -0.001 0.000 0.951 240 Q CB 0.639 29.366 28.738 -0.019 0.000 1.099 240 Q HN 0.280 nan 8.270 nan 0.000 0.501 241 R N 0.806 121.325 120.500 0.032 0.000 3.333 241 R HA -0.210 4.130 4.340 -0.001 0.000 0.256 241 R C -0.116 176.209 176.300 0.041 0.000 1.010 241 R CA 0.475 56.583 56.100 0.012 0.000 0.680 241 R CB -1.945 28.388 30.300 0.056 0.000 1.102 241 R HN 0.394 nan 8.270 nan 0.000 0.440 242 Q N 0.034 119.847 119.800 0.022 0.000 2.165 242 Q HA 0.199 4.538 4.340 -0.001 0.000 0.245 242 Q C 1.229 177.300 176.000 0.118 0.000 0.841 242 Q CA -0.236 55.615 55.803 0.080 0.000 1.078 242 Q CB 0.542 29.292 28.738 0.021 0.000 1.169 242 Q HN 0.434 nan 8.270 nan 0.000 0.475 243 L N 0.109 121.329 121.223 -0.005 0.000 2.395 243 L HA 0.028 4.367 4.340 -0.001 0.000 0.218 243 L C 0.350 177.203 176.870 -0.029 0.000 1.130 243 L CA 0.985 55.793 54.840 -0.054 0.000 0.826 243 L CB 0.297 42.131 42.059 -0.375 0.000 0.941 243 L HN 0.183 nan 8.230 nan 0.000 0.451 244 E N 0.075 120.298 120.200 0.037 0.000 2.158 244 E HA 0.517 4.866 4.350 -0.001 0.000 0.271 244 E C -1.203 175.307 176.600 -0.150 0.000 0.911 244 E CA -0.532 55.693 56.400 -0.292 0.000 0.767 244 E CB 1.527 31.197 29.700 -0.049 0.000 1.120 244 E HN 0.000 nan 8.360 nan 0.000 0.405 245 F N -0.216 119.467 119.950 -0.444 0.000 2.686 245 F HA 0.483 5.009 4.527 -0.001 0.000 0.311 245 F C -1.565 174.114 175.800 -0.201 0.000 1.128 245 F CA -1.387 56.497 58.000 -0.194 0.000 0.946 245 F CB 0.803 39.724 39.000 -0.131 0.000 1.336 245 F HN 0.159 nan 8.300 nan 0.000 0.457 246 L N 2.540 123.916 121.223 0.255 0.000 2.259 246 L HA 0.186 4.525 4.340 -0.001 0.000 0.288 246 L C -1.152 175.945 176.870 0.378 0.000 1.051 246 L CA -0.268 54.717 54.840 0.242 0.000 0.824 246 L CB 0.573 42.779 42.059 0.245 0.000 1.206 246 L HN 0.591 nan 8.230 nan 0.000 0.429 247 W N 6.839 128.245 121.300 0.177 0.000 2.387 247 W HA 0.336 4.996 4.660 -0.001 0.000 0.310 247 W C 0.215 176.762 176.519 0.048 0.000 1.181 247 W CA -1.272 56.199 57.345 0.210 0.000 1.333 247 W CB 0.441 30.065 29.460 0.274 0.000 1.286 247 W HN 0.505 nan 8.180 nan 0.000 0.455 248 R N 3.799 124.491 120.500 0.319 0.000 2.828 248 R HA 0.545 4.885 4.340 -0.001 0.000 0.264 248 R C -0.093 176.121 176.300 -0.143 0.000 1.022 248 R CA -0.919 55.190 56.100 0.015 0.000 1.021 248 R CB 1.101 31.387 30.300 -0.023 0.000 1.163 248 R HN 0.239 nan 8.270 nan 0.000 0.494 249 Q N 1.319 120.876 119.800 -0.405 0.000 2.394 249 Q HA 0.063 4.403 4.340 -0.001 0.000 0.248 249 Q C 1.469 177.056 176.000 -0.687 0.000 0.992 249 Q CA 0.088 55.441 55.803 -0.749 0.000 0.888 249 Q CB 0.815 28.644 28.738 -1.516 0.000 1.257 249 Q HN 0.849 nan 8.270 nan 0.000 0.462 250 I N -2.136 118.123 120.570 -0.518 0.000 2.567 250 I HA -0.157 4.013 4.170 -0.001 0.000 0.257 250 I C 1.266 177.303 176.117 -0.133 0.000 1.184 250 I CA 1.302 62.471 61.300 -0.218 0.000 1.451 250 I CB -0.356 37.623 38.000 -0.036 0.000 1.089 250 I HN 0.667 nan 8.210 nan 0.000 0.441 251 W N 1.177 122.543 121.300 0.109 0.000 3.220 251 W HA 0.376 5.036 4.660 -0.001 0.000 0.328 251 W C 0.213 176.811 176.519 0.131 0.000 1.205 251 W CA -0.747 56.723 57.345 0.207 0.000 1.773 251 W CB -0.717 28.954 29.460 0.352 0.000 1.086 251 W HN -0.075 nan 8.180 nan 0.000 0.622 252 D N 1.824 121.967 120.400 -0.429 0.000 2.402 252 D HA -0.006 4.634 4.640 -0.001 0.000 0.235 252 D C 0.867 177.144 176.300 -0.038 0.000 1.226 252 D CA 0.231 54.123 54.000 -0.180 0.000 0.918 252 D CB 0.276 40.873 40.800 -0.339 0.000 1.043 252 D HN 0.119 nan 8.370 nan 0.000 0.506 253 N N 3.247 121.986 118.700 0.065 0.000 2.216 253 N HA -0.118 4.621 4.740 -0.001 0.000 0.183 253 N C 1.502 177.033 175.510 0.035 0.000 1.017 253 N CA 0.925 54.004 53.050 0.049 0.000 0.861 253 N CB 0.194 38.728 38.487 0.079 0.000 0.986 253 N HN 0.307 nan 8.380 nan 0.000 0.428 254 K N -1.108 119.319 120.400 0.045 0.000 2.116 254 K HA 0.049 4.369 4.320 -0.001 0.000 0.203 254 K C 0.615 177.231 176.600 0.027 0.000 1.052 254 K CA 1.037 57.347 56.287 0.038 0.000 0.952 254 K CB 0.135 32.663 32.500 0.047 0.000 0.729 254 K HN 0.257 nan 8.250 nan 0.000 0.446 255 G N 0.994 109.803 108.800 0.015 0.000 2.144 255 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.218 255 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.218 255 G C 0.111 175.018 174.900 0.011 0.000 0.988 255 G CA 0.359 45.465 45.100 0.010 0.000 0.659 255 G HN 0.380 nan 8.290 nan 0.000 0.522 256 D N 0.636 121.045 120.400 0.014 0.000 2.310 256 D HA -0.030 4.609 4.640 -0.001 0.000 0.212 256 D C 2.539 178.832 176.300 -0.010 0.000 0.965 256 D CA 1.717 55.722 54.000 0.009 0.000 0.879 256 D CB -0.252 40.560 40.800 0.019 0.000 0.921 256 D HN 0.681 nan 8.370 nan 0.000 0.510 257 T N -2.091 112.449 114.554 -0.024 0.000 3.129 257 T HA 0.320 4.670 4.350 -0.001 0.000 0.251 257 T C 0.992 175.660 174.700 -0.054 0.000 1.117 257 T CA -0.096 61.970 62.100 -0.057 0.000 1.034 257 T CB 0.000 68.821 68.868 -0.079 0.000 0.968 257 T HN 0.075 nan 8.240 nan 0.000 0.526 258 A N 1.440 124.253 122.820 -0.012 0.000 2.540 258 A HA 0.532 4.852 4.320 -0.001 0.000 0.239 258 A C -0.251 177.356 177.584 0.039 0.000 1.061 258 A CA -0.273 51.786 52.037 0.037 0.000 0.758 258 A CB -0.161 18.886 19.000 0.077 0.000 0.991 258 A HN 0.554 nan 8.150 nan 0.000 0.502 259 L N 2.738 124.006 121.223 0.075 0.000 2.409 259 L HA 0.569 4.909 4.340 -0.001 0.000 0.272 259 L C -0.667 176.264 176.870 0.103 0.000 0.980 259 L CA -0.562 54.315 54.840 0.063 0.000 0.826 259 L CB 1.497 43.559 42.059 0.004 0.000 1.268 259 L HN 0.661 nan 8.230 nan 0.000 0.407 260 F N 3.824 123.733 119.950 -0.068 0.000 2.578 260 F HA 0.418 4.944 4.527 -0.001 0.000 0.381 260 F C 0.013 175.693 175.800 -0.200 0.000 1.069 260 F CA 0.752 58.678 58.000 -0.123 0.000 1.231 260 F CB 0.472 39.415 39.000 -0.096 0.000 1.086 260 F HN 0.564 nan 8.300 nan 0.000 0.564 261 T N 5.329 119.321 114.554 -0.937 0.000 2.861 261 T HA 0.209 4.558 4.350 -0.001 0.000 0.287 261 T C -1.622 172.458 174.700 -1.033 0.000 1.003 261 T CA -0.483 61.137 62.100 -0.799 0.000 0.977 261 T CB 0.952 69.333 68.868 -0.812 0.000 0.996 261 T HN 0.619 nan 8.240 nan 0.000 0.448 262 H N 2.747 121.518 119.070 -0.498 0.000 2.551 262 H HA 0.629 5.184 4.556 -0.001 0.000 0.321 262 H C -0.425 174.717 175.328 -0.311 0.000 1.028 262 H CA -0.766 55.105 56.048 -0.295 0.000 1.215 262 H CB 0.760 30.572 29.762 0.082 0.000 1.414 262 H HN 0.489 nan 8.280 nan 0.000 0.480 263 M N 6.904 126.179 119.600 -0.542 0.000 2.157 263 M HA 0.300 4.780 4.480 -0.001 0.000 0.354 263 M C -0.897 175.162 176.300 -0.401 0.000 1.170 263 M CA -0.614 54.442 55.300 -0.407 0.000 1.060 263 M CB 0.743 33.152 32.600 -0.318 0.000 1.615 263 M HN 0.677 nan 8.290 nan 0.000 0.460 264 M N 6.759 126.221 119.600 -0.229 0.000 2.248 264 M HA 0.159 4.639 4.480 -0.001 0.000 0.337 264 M C -1.546 174.627 176.300 -0.213 0.000 1.121 264 M CA -1.107 54.102 55.300 -0.152 0.000 1.155 264 M CB 0.337 32.862 32.600 -0.125 0.000 1.514 264 M HN 0.492 nan 8.290 nan 0.000 0.452 265 P HA 0.089 nan 4.420 nan 0.000 0.239 265 P C -0.304 176.820 177.300 -0.292 0.000 1.188 265 P CA 0.933 63.738 63.100 -0.493 0.000 0.794 265 P CB 0.340 31.437 31.700 -1.004 0.000 0.937 266 F N -1.762 118.189 119.950 0.002 0.000 2.535 266 F HA 0.291 4.817 4.527 -0.001 0.000 0.367 266 F C 2.041 177.927 175.800 0.143 0.000 1.096 266 F CA -1.485 56.552 58.000 0.061 0.000 1.088 266 F CB -0.907 38.066 39.000 -0.044 0.000 1.387 266 F HN -0.305 nan 8.300 nan 0.000 0.494 267 Y N -0.011 120.441 120.300 0.253 0.000 2.373 267 Y HA 0.106 4.655 4.550 -0.001 0.000 0.293 267 Y C 0.924 176.746 175.900 -0.130 0.000 1.129 267 Y CA 1.363 59.471 58.100 0.014 0.000 1.226 267 Y CB 0.084 38.462 38.460 -0.137 0.000 1.000 267 Y HN 0.367 nan 8.280 nan 0.000 0.549 268 S N -1.868 113.680 115.700 -0.254 0.000 2.638 268 S HA 0.258 4.727 4.470 -0.001 0.000 0.274 268 S C -0.465 174.062 174.600 -0.121 0.000 1.157 268 S CA -0.360 57.596 58.200 -0.406 0.000 0.826 268 S CB 0.285 63.176 63.200 -0.514 0.000 1.139 268 S HN 0.282 nan 8.310 nan 0.000 0.474 269 Y N 0.746 120.992 120.300 -0.090 0.000 2.457 269 Y HA 0.345 4.894 4.550 -0.001 0.000 0.263 269 Y C 0.392 176.364 175.900 0.121 0.000 1.164 269 Y CA -0.644 57.433 58.100 -0.038 0.000 1.274 269 Y CB -0.913 37.429 38.460 -0.197 0.000 1.097 269 Y HN 0.525 nan 8.280 nan 0.000 0.523 270 D N 0.611 121.019 120.400 0.014 0.000 2.371 270 D HA -0.009 4.630 4.640 -0.001 0.000 0.242 270 D C 1.255 177.678 176.300 0.205 0.000 1.218 270 D CA -0.456 53.634 54.000 0.150 0.000 0.945 270 D CB 0.851 41.699 40.800 0.080 0.000 1.137 270 D HN 0.250 nan 8.370 nan 0.000 0.464 271 I N -0.187 120.481 120.570 0.162 0.000 2.208 271 I HA -0.174 3.996 4.170 -0.001 0.000 0.245 271 I C -0.738 175.415 176.117 0.060 0.000 1.097 271 I CA 0.966 62.348 61.300 0.137 0.000 1.363 271 I CB -1.174 36.895 38.000 0.116 0.000 1.051 271 I HN 0.348 nan 8.210 nan 0.000 0.413 272 P HA -0.151 nan 4.420 nan 0.000 0.221 272 P C 0.563 177.552 177.300 -0.518 0.000 1.145 272 P CA 1.610 64.523 63.100 -0.312 0.000 0.795 272 P CB -0.103 31.394 31.700 -0.338 0.000 0.775 273 H N -2.972 116.088 119.070 -0.016 0.000 2.486 273 H HA 0.229 4.785 4.556 -0.001 0.000 0.284 273 H C 0.877 176.300 175.328 0.158 0.000 1.103 273 H CA 0.543 56.597 56.048 0.009 0.000 1.089 273 H CB -0.245 29.588 29.762 0.118 0.000 1.603 273 H HN 0.100 nan 8.280 nan 0.000 0.557 274 T N -4.279 110.390 114.554 0.191 0.000 2.986 274 T HA -0.020 4.329 4.350 -0.001 0.000 0.264 274 T C 1.765 176.586 174.700 0.201 0.000 0.964 274 T CA 0.365 62.603 62.100 0.231 0.000 0.895 274 T CB -0.701 68.292 68.868 0.208 0.000 1.163 274 T HN 0.506 nan 8.240 nan 0.000 0.517 275 c N 1.489 120.180 118.600 0.152 0.000 2.533 275 c HA 0.724 5.293 4.570 -0.001 0.000 0.272 275 c C 1.315 175.532 174.090 0.211 0.000 1.371 275 c CA 0.390 56.853 56.329 0.223 0.000 1.758 275 c CB -1.084 41.520 42.510 0.157 0.000 1.972 275 c HN 0.875 nan 8.230 nan 0.000 0.522 276 G N -0.252 108.593 108.800 0.075 0.000 2.315 276 G HA2 0.393 4.353 3.960 -0.001 0.000 0.294 276 G HA3 0.393 4.353 3.960 -0.001 0.000 0.294 276 G C -2.705 171.822 174.900 -0.622 0.000 1.300 276 G CA 0.234 45.316 45.100 -0.031 0.000 0.843 276 G HN -0.111 nan 8.290 nan 0.000 0.527 277 P HA 0.086 nan 4.420 nan 0.000 0.229 277 P C -0.141 176.740 177.300 -0.697 0.000 1.160 277 P CA 1.040 63.453 63.100 -1.145 0.000 0.777 277 P CB 0.391 31.738 31.700 -0.588 0.000 0.814 278 D N 0.851 120.957 120.400 -0.491 0.000 2.454 278 D HA 0.146 4.786 4.640 -0.001 0.000 0.225 278 D C -1.494 174.464 176.300 -0.570 0.000 1.081 278 D CA -2.624 51.129 54.000 -0.412 0.000 0.864 278 D CB 1.376 42.023 40.800 -0.256 0.000 1.040 278 D HN -0.014 nan 8.370 nan 0.000 0.517 279 P HA -0.147 nan 4.420 nan 0.000 0.220 279 P C 1.314 177.808 177.300 -1.343 0.000 1.148 279 P CA 0.678 63.008 63.100 -1.284 0.000 0.803 279 P CB 0.600 31.187 31.700 -1.854 0.000 0.782 280 K N 0.320 120.079 120.400 -1.068 0.000 2.044 280 K HA -0.128 4.192 4.320 -0.001 0.000 0.210 280 K C 1.940 178.369 176.600 -0.286 0.000 1.049 280 K CA 1.759 57.737 56.287 -0.515 0.000 0.927 280 K CB -0.497 31.879 32.500 -0.208 0.000 0.713 280 K HN -0.090 nan 8.250 nan 0.000 0.443 281 V N 0.509 120.264 119.914 -0.266 0.000 2.270 281 V HA -0.296 3.824 4.120 -0.001 0.000 0.245 281 V C 2.494 178.567 176.094 -0.036 0.000 1.043 281 V CA 1.768 64.002 62.300 -0.111 0.000 1.014 281 V CB -0.488 31.285 31.823 -0.083 0.000 0.645 281 V HN 0.519 nan 8.190 nan 0.000 0.447 282 c N -0.837 117.666 118.600 -0.162 0.000 2.422 282 c HA -0.186 4.383 4.570 -0.001 0.000 0.279 282 c C 2.989 177.050 174.090 -0.049 0.000 1.305 282 c CA 0.675 56.972 56.329 -0.053 0.000 1.757 282 c CB -1.550 40.847 42.510 -0.189 0.000 1.962 282 c HN 0.771 nan 8.230 nan 0.000 0.499 283 c N 0.871 119.353 118.600 -0.196 0.000 2.410 283 c HA -0.150 4.420 4.570 -0.001 0.000 0.281 283 c C 2.601 176.583 174.090 -0.179 0.000 1.318 283 c CA 1.241 57.504 56.329 -0.110 0.000 1.776 283 c CB -1.455 41.071 42.510 0.026 0.000 1.942 283 c HN 0.639 nan 8.230 nan 0.000 0.508 284 Q N -1.386 118.253 119.800 -0.269 0.000 2.515 284 Q HA -0.013 4.327 4.340 -0.001 0.000 0.212 284 Q C 0.650 175.993 176.000 -1.095 0.000 0.970 284 Q CA 0.966 56.421 55.803 -0.580 0.000 0.941 284 Q CB -0.017 28.359 28.738 -0.602 0.000 0.998 284 Q HN 0.743 nan 8.270 nan 0.000 0.518 285 F N -0.271 119.396 119.950 -0.472 0.000 2.668 285 F HA 0.166 4.692 4.527 -0.001 0.000 0.301 285 F C 0.227 175.757 175.800 -0.450 0.000 1.106 285 F CA -0.581 57.056 58.000 -0.605 0.000 1.289 285 F CB 0.783 39.680 39.000 -0.172 0.000 1.006 285 F HN -0.143 nan 8.300 nan 0.000 0.535 286 D N 0.120 120.289 120.400 -0.385 0.000 2.467 286 D HA 0.131 4.771 4.640 -0.001 0.000 0.220 286 D C 0.468 176.570 176.300 -0.329 0.000 1.103 286 D CA -0.365 53.529 54.000 -0.176 0.000 0.886 286 D CB 0.125 40.877 40.800 -0.081 0.000 1.025 286 D HN 0.085 nan 8.370 nan 0.000 0.514 287 F N 1.803 121.760 119.950 0.013 0.000 2.771 287 F HA 0.094 4.621 4.527 -0.001 0.000 0.299 287 F C 2.309 178.061 175.800 -0.080 0.000 1.177 287 F CA 0.294 58.275 58.000 -0.031 0.000 1.450 287 F CB 0.060 39.063 39.000 0.005 0.000 1.114 287 F HN 0.255 nan 8.300 nan 0.000 0.587 288 K N 0.620 120.953 120.400 -0.112 0.000 2.487 288 K HA 0.071 4.391 4.320 -0.001 0.000 0.192 288 K C 1.098 177.669 176.600 -0.049 0.000 1.027 288 K CA 0.223 56.325 56.287 -0.309 0.000 1.054 288 K CB 0.140 32.311 32.500 -0.547 0.000 0.824 288 K HN 0.193 nan 8.250 nan 0.000 0.510 289 R N 0.003 120.489 120.500 -0.022 0.000 2.586 289 R HA 0.214 4.554 4.340 -0.001 0.000 0.306 289 R C 0.950 177.271 176.300 0.034 0.000 1.079 289 R CA -0.177 55.931 56.100 0.013 0.000 1.083 289 R CB 0.263 30.547 30.300 -0.027 0.000 1.306 289 R HN 0.175 nan 8.270 nan 0.000 0.567 290 M N -1.032 118.622 119.600 0.090 0.000 2.541 290 M HA 0.150 4.629 4.480 -0.001 0.000 0.252 290 M C 1.183 177.519 176.300 0.060 0.000 1.125 290 M CA 0.969 56.308 55.300 0.065 0.000 1.091 290 M CB 0.785 33.437 32.600 0.087 0.000 1.420 290 M HN 0.507 nan 8.290 nan 0.000 0.486 291 G N -0.173 108.681 108.800 0.090 0.000 3.288 291 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.195 291 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.195 291 G C 0.986 175.897 174.900 0.017 0.000 1.093 291 G CA 0.242 45.369 45.100 0.046 0.000 0.852 291 G HN 0.410 nan 8.290 nan 0.000 0.453 292 S N 0.237 115.913 115.700 -0.040 0.000 2.474 292 S HA 0.213 4.683 4.470 -0.001 0.000 0.235 292 S C 1.651 176.060 174.600 -0.318 0.000 0.997 292 S CA 1.428 59.501 58.200 -0.212 0.000 0.949 292 S CB -0.431 62.566 63.200 -0.339 0.000 0.766 292 S HN 0.358 nan 8.310 nan 0.000 0.517 293 F N 1.761 121.705 119.950 -0.008 0.000 2.693 293 F HA 0.448 4.975 4.527 -0.001 0.000 0.303 293 F C 1.851 177.646 175.800 -0.008 0.000 1.097 293 F CA -0.125 57.868 58.000 -0.011 0.000 1.330 293 F CB -0.107 38.882 39.000 -0.017 0.000 1.067 293 F HN 0.342 nan 8.300 nan 0.000 0.565 294 G N 1.111 109.981 108.800 0.116 0.000 2.153 294 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.252 294 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.252 294 G C -0.076 174.873 174.900 0.081 0.000 0.994 294 G CA 0.122 45.267 45.100 0.075 0.000 0.698 294 G HN 0.321 nan 8.290 nan 0.000 0.521 295 L N 0.099 121.383 121.223 0.102 0.000 2.323 295 L HA 0.862 5.201 4.340 -0.001 0.000 0.265 295 L C 0.539 177.439 176.870 0.050 0.000 1.012 295 L CA -0.367 54.515 54.840 0.069 0.000 0.820 295 L CB 2.313 44.410 42.059 0.063 0.000 1.334 295 L HN 0.442 nan 8.230 nan 0.000 0.427 296 S N -0.768 114.949 115.700 0.028 0.000 2.705 296 S HA 0.538 5.008 4.470 -0.001 0.000 0.280 296 S C -1.279 173.330 174.600 0.015 0.000 1.174 296 S CA -0.802 57.406 58.200 0.013 0.000 0.823 296 S CB 1.633 64.831 63.200 -0.003 0.000 1.162 296 S HN 0.522 nan 8.310 nan 0.000 0.487 297 c N 2.930 121.542 118.600 0.019 0.000 2.255 297 c HA 0.568 5.138 4.570 -0.001 0.000 0.326 297 c C -1.158 172.915 174.090 -0.029 0.000 1.258 297 c CA -1.204 55.173 56.329 0.081 0.000 1.676 297 c CB 0.891 43.483 42.510 0.137 0.000 2.314 297 c HN 0.756 nan 8.230 nan 0.000 0.509 298 P HA -0.078 nan 4.420 nan 0.000 0.226 298 P C 1.094 178.090 177.300 -0.505 0.000 1.153 298 P CA 1.229 64.042 63.100 -0.479 0.000 0.777 298 P CB 0.081 31.323 31.700 -0.764 0.000 0.794 299 W N 0.537 121.812 121.300 -0.043 0.000 3.180 299 W HA 0.167 4.827 4.660 -0.001 0.000 0.254 299 W C 0.645 177.136 176.519 -0.048 0.000 1.318 299 W CA 0.132 57.447 57.345 -0.049 0.000 1.608 299 W CB -0.476 28.945 29.460 -0.064 0.000 1.124 299 W HN 0.138 nan 8.180 nan 0.000 0.694 300 K N -1.104 119.334 120.400 0.064 0.000 3.446 300 K HA -0.183 4.136 4.320 -0.001 0.000 0.312 300 K C -0.356 176.262 176.600 0.030 0.000 1.329 300 K CA 0.525 56.827 56.287 0.025 0.000 0.935 300 K CB -1.945 30.558 32.500 0.005 0.000 1.281 300 K HN -0.115 nan 8.250 nan 0.000 0.457 301 V N 1.808 121.752 119.914 0.050 0.000 2.378 301 V HA 0.343 4.462 4.120 -0.001 0.000 0.288 301 V C -1.819 174.259 176.094 -0.027 0.000 1.016 301 V CA -1.536 60.766 62.300 0.002 0.000 0.840 301 V CB 1.488 33.306 31.823 -0.008 0.000 0.994 301 V HN -0.029 nan 8.190 nan 0.000 0.431 302 P HA 0.463 nan 4.420 nan 0.000 0.278 302 P C -2.885 174.322 177.300 -0.156 0.000 1.258 302 P CA -2.161 60.892 63.100 -0.078 0.000 0.811 302 P CB 0.717 32.387 31.700 -0.050 0.000 1.063 303 P HA 0.312 nan 4.420 nan 0.000 0.272 303 P C -0.357 176.835 177.300 -0.180 0.000 1.230 303 P CA -0.022 62.861 63.100 -0.361 0.000 0.788 303 P CB 0.631 32.036 31.700 -0.493 0.000 0.949 304 R N 0.033 120.444 120.500 -0.149 0.000 2.686 304 R HA 0.418 4.758 4.340 -0.001 0.000 0.283 304 R C -0.408 175.951 176.300 0.098 0.000 0.978 304 R CA -0.676 55.408 56.100 -0.025 0.000 0.897 304 R CB 1.398 31.663 30.300 -0.060 0.000 1.192 304 R HN 0.351 nan 8.270 nan 0.000 0.457 305 T N 3.781 118.388 114.554 0.090 0.000 2.933 305 T HA 0.036 4.386 4.350 -0.001 0.000 0.306 305 T C 0.750 175.445 174.700 -0.009 0.000 1.045 305 T CA 0.152 62.283 62.100 0.052 0.000 1.143 305 T CB 0.142 69.018 68.868 0.014 0.000 1.003 305 T HN 0.188 nan 8.240 nan 0.000 0.540 306 I N 3.901 124.416 120.570 -0.091 0.000 2.496 306 I HA 0.261 4.431 4.170 -0.001 0.000 0.285 306 I C 0.994 177.062 176.117 -0.082 0.000 1.080 306 I CA 0.054 61.297 61.300 -0.095 0.000 1.404 306 I CB 0.361 38.259 38.000 -0.170 0.000 1.403 306 I HN 0.782 nan 8.210 nan 0.000 0.539 307 S N 3.614 119.276 115.700 -0.062 0.000 2.697 307 S HA 0.446 4.916 4.470 -0.001 0.000 0.289 307 S C 0.264 174.833 174.600 -0.051 0.000 1.149 307 S CA -0.746 57.425 58.200 -0.047 0.000 0.850 307 S CB 2.029 65.208 63.200 -0.034 0.000 1.151 307 S HN 0.482 nan 8.310 nan 0.000 0.491 308 D N 0.567 120.946 120.400 -0.034 0.000 2.263 308 D HA -0.013 4.627 4.640 -0.001 0.000 0.208 308 D C 1.509 177.784 176.300 -0.041 0.000 0.971 308 D CA 1.287 55.268 54.000 -0.031 0.000 0.867 308 D CB -0.227 40.569 40.800 -0.006 0.000 0.929 308 D HN 0.515 nan 8.370 nan 0.000 0.492 309 Q N -0.006 119.773 119.800 -0.035 0.000 2.389 309 Q HA 0.012 4.351 4.340 -0.001 0.000 0.204 309 Q C 1.005 176.980 176.000 -0.041 0.000 0.944 309 Q CA 0.714 56.498 55.803 -0.031 0.000 0.908 309 Q CB 0.004 28.729 28.738 -0.021 0.000 1.002 309 Q HN 0.360 nan 8.270 nan 0.000 0.493 310 N N -2.034 116.633 118.700 -0.055 0.000 2.143 310 N HA -0.006 4.734 4.740 -0.001 0.000 0.222 310 N C 0.903 176.363 175.510 -0.083 0.000 1.264 310 N CA 0.083 53.101 53.050 -0.053 0.000 0.897 310 N CB -0.218 38.246 38.487 -0.039 0.000 1.092 310 N HN 0.036 nan 8.380 nan 0.000 0.516 311 V N 0.365 120.194 119.914 -0.141 0.000 2.515 311 V HA 0.026 4.145 4.120 -0.001 0.000 0.250 311 V C 2.166 178.048 176.094 -0.353 0.000 1.058 311 V CA 1.960 64.127 62.300 -0.221 0.000 1.064 311 V CB -0.737 30.935 31.823 -0.252 0.000 0.675 311 V HN 0.425 nan 8.190 nan 0.000 0.461 312 A N -0.188 122.399 122.820 -0.389 0.000 1.898 312 A HA 0.037 4.356 4.320 -0.001 0.000 0.216 312 A C 2.406 180.018 177.584 0.047 0.000 1.181 312 A CA 1.905 53.818 52.037 -0.207 0.000 0.620 312 A CB -0.904 18.084 19.000 -0.019 0.000 0.819 312 A HN 0.773 nan 8.150 nan 0.000 0.442 313 A N -0.414 122.415 122.820 0.015 0.000 1.898 313 A HA -0.101 4.218 4.320 -0.001 0.000 0.216 313 A C 2.227 179.851 177.584 0.067 0.000 1.181 313 A CA 1.236 53.304 52.037 0.051 0.000 0.620 313 A CB -0.407 18.607 19.000 0.022 0.000 0.819 313 A HN 0.402 nan 8.150 nan 0.000 0.442 314 R N 0.136 120.668 120.500 0.053 0.000 2.081 314 R HA -0.052 4.287 4.340 -0.001 0.000 0.235 314 R C 2.387 178.738 176.300 0.086 0.000 1.131 314 R CA 1.534 57.726 56.100 0.153 0.000 0.960 314 R CB -0.942 29.451 30.300 0.155 0.000 0.856 314 R HN 0.527 nan 8.270 nan 0.000 0.436 315 S N 1.372 117.073 115.700 0.000 0.000 2.368 315 S HA -0.121 4.349 4.470 -0.001 0.000 0.225 315 S C 1.349 175.845 174.600 -0.173 0.000 1.030 315 S CA 1.332 59.444 58.200 -0.147 0.000 0.999 315 S CB -0.217 63.040 63.200 0.096 0.000 0.844 315 S HN 0.271 nan 8.310 nan 0.000 0.459 316 D N 1.608 122.098 120.400 0.150 0.000 2.116 316 D HA -0.095 4.545 4.640 -0.001 0.000 0.193 316 D C 1.909 178.220 176.300 0.019 0.000 0.998 316 D CA 0.945 55.083 54.000 0.231 0.000 0.836 316 D CB -0.451 40.477 40.800 0.213 0.000 0.951 316 D HN 0.295 nan 8.370 nan 0.000 0.449 317 L N -0.051 121.160 121.223 -0.020 0.000 2.046 317 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 317 L C 2.408 179.099 176.870 -0.298 0.000 1.077 317 L CA 0.471 55.272 54.840 -0.065 0.000 0.747 317 L CB -0.214 41.884 42.059 0.064 0.000 0.896 317 L HN 0.068 nan 8.230 nan 0.000 0.432 318 L N -0.955 119.908 121.223 -0.601 0.000 2.044 318 L HA -0.107 4.233 4.340 -0.001 0.000 0.205 318 L C 2.321 178.493 176.870 -1.164 0.000 1.075 318 L CA 1.520 55.661 54.840 -1.165 0.000 0.747 318 L CB -0.305 40.746 42.059 -1.681 0.000 0.903 318 L HN -0.092 nan 8.230 nan 0.000 0.435 319 V N 0.036 119.385 119.914 -0.941 0.000 2.407 319 V HA -0.308 3.812 4.120 -0.001 0.000 0.248 319 V C 2.292 178.212 176.094 -0.290 0.000 1.055 319 V CA 1.929 63.830 62.300 -0.665 0.000 1.049 319 V CB -0.797 30.578 31.823 -0.745 0.000 0.662 319 V HN 0.603 nan 8.190 nan 0.000 0.455 320 D N -0.828 119.468 120.400 -0.174 0.000 2.117 320 D HA -0.207 4.432 4.640 -0.001 0.000 0.197 320 D C 2.227 178.498 176.300 -0.048 0.000 0.987 320 D CA 1.142 55.150 54.000 0.013 0.000 0.829 320 D CB 0.008 40.878 40.800 0.117 0.000 0.961 320 D HN 0.299 nan 8.370 nan 0.000 0.460 321 Q N -0.456 119.247 119.800 -0.162 0.000 2.050 321 Q HA -0.135 4.204 4.340 -0.001 0.000 0.202 321 Q C 2.135 178.151 176.000 0.026 0.000 0.980 321 Q CA 0.984 56.721 55.803 -0.110 0.000 0.840 321 Q CB -0.611 28.005 28.738 -0.203 0.000 0.898 321 Q HN 0.557 nan 8.270 nan 0.000 0.424 322 W N 1.506 122.698 121.300 -0.180 0.000 2.338 322 W HA -0.115 4.544 4.660 -0.001 0.000 0.304 322 W C 2.071 178.470 176.519 -0.200 0.000 1.212 322 W CA 0.783 58.021 57.345 -0.179 0.000 1.264 322 W CB -0.672 28.654 29.460 -0.223 0.000 1.142 322 W HN 0.222 nan 8.180 nan 0.000 0.512 323 K N 0.117 120.477 120.400 -0.067 0.000 2.148 323 K HA -0.126 4.194 4.320 -0.001 0.000 0.204 323 K C 1.953 178.376 176.600 -0.294 0.000 1.050 323 K CA 1.153 57.241 56.287 -0.332 0.000 0.942 323 K CB -0.179 31.821 32.500 -0.834 0.000 0.724 323 K HN 0.070 nan 8.250 nan 0.000 0.446 324 K N 0.992 121.304 120.400 -0.147 0.000 2.025 324 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 324 K C 2.092 178.754 176.600 0.102 0.000 1.049 324 K CA 1.207 57.542 56.287 0.080 0.000 0.933 324 K CB -0.015 32.558 32.500 0.121 0.000 0.714 324 K HN -0.002 nan 8.250 nan 0.000 0.438 325 K N 0.787 121.254 120.400 0.113 0.000 2.103 325 K HA -0.140 4.179 4.320 -0.001 0.000 0.207 325 K C 2.013 178.725 176.600 0.186 0.000 1.048 325 K CA 1.297 57.676 56.287 0.153 0.000 0.930 325 K CB -0.093 32.511 32.500 0.174 0.000 0.716 325 K HN 0.155 nan 8.250 nan 0.000 0.444 326 A N 1.085 123.994 122.820 0.148 0.000 2.070 326 A HA -0.126 4.193 4.320 -0.001 0.000 0.220 326 A C 1.703 179.451 177.584 0.274 0.000 1.159 326 A CA 1.236 53.397 52.037 0.207 0.000 0.656 326 A CB -0.290 18.784 19.000 0.122 0.000 0.800 326 A HN 0.291 nan 8.150 nan 0.000 0.453 327 E N 0.030 120.367 120.200 0.229 0.000 2.333 327 E HA -0.085 4.264 4.350 -0.001 0.000 0.198 327 E C 1.555 178.284 176.600 0.215 0.000 1.007 327 E CA 0.638 57.186 56.400 0.248 0.000 0.845 327 E CB -0.215 29.654 29.700 0.281 0.000 0.766 327 E HN 0.721 nan 8.360 nan 0.000 0.507 328 L N -0.565 120.746 121.223 0.147 0.000 2.591 328 L HA 0.049 4.389 4.340 -0.001 0.000 0.228 328 L C 0.185 176.862 176.870 -0.323 0.000 1.133 328 L CA 0.227 55.025 54.840 -0.070 0.000 0.880 328 L CB -0.082 41.818 42.059 -0.264 0.000 1.033 328 L HN -0.008 nan 8.230 nan 0.000 0.450 329 Y N -1.572 118.810 120.300 0.137 0.000 2.633 329 Y HA 0.379 4.928 4.550 -0.001 0.000 0.339 329 Y C 1.122 177.137 175.900 0.192 0.000 1.045 329 Y CA -0.989 57.212 58.100 0.169 0.000 1.098 329 Y CB 1.201 39.770 38.460 0.181 0.000 1.296 329 Y HN -0.273 nan 8.280 nan 0.000 0.494 330 R N -0.525 120.210 120.500 0.392 0.000 2.280 330 R HA 0.088 4.428 4.340 -0.001 0.000 0.195 330 R C 0.332 176.765 176.300 0.223 0.000 0.935 330 R CA 0.730 56.975 56.100 0.241 0.000 1.033 330 R CB 0.226 30.599 30.300 0.122 0.000 0.964 330 R HN 0.748 nan 8.270 nan 0.000 0.489 331 T N -0.901 113.829 114.554 0.292 0.000 2.922 331 T HA 0.110 4.460 4.350 -0.001 0.000 0.281 331 T C 0.614 175.462 174.700 0.246 0.000 1.005 331 T CA -0.950 61.288 62.100 0.231 0.000 0.982 331 T CB 1.237 70.219 68.868 0.189 0.000 1.158 331 T HN 0.075 nan 8.240 nan 0.000 0.566 332 N N 0.077 118.894 118.700 0.195 0.000 2.327 332 N HA 0.145 4.885 4.740 -0.001 0.000 0.231 332 N C -0.733 174.752 175.510 -0.043 0.000 1.130 332 N CA -0.369 52.754 53.050 0.122 0.000 0.845 332 N CB -0.120 38.368 38.487 0.003 0.000 1.073 332 N HN 0.375 nan 8.380 nan 0.000 0.496 333 V N 1.286 121.208 119.914 0.015 0.000 2.409 333 V HA 0.429 4.548 4.120 -0.001 0.000 0.291 333 V C -0.624 175.540 176.094 0.115 0.000 1.020 333 V CA -0.976 61.330 62.300 0.010 0.000 0.848 333 V CB 1.562 33.372 31.823 -0.022 0.000 0.990 333 V HN 0.198 nan 8.190 nan 0.000 0.430 334 L N 5.760 126.991 121.223 0.014 0.000 2.341 334 L HA 0.710 5.050 4.340 -0.001 0.000 0.278 334 L C -0.908 175.830 176.870 -0.219 0.000 1.005 334 L CA -0.482 54.291 54.840 -0.112 0.000 0.818 334 L CB 1.701 43.588 42.059 -0.286 0.000 1.259 334 L HN 0.633 nan 8.230 nan 0.000 0.418 335 L N 6.257 127.147 121.223 -0.555 0.000 2.275 335 L HA 0.572 4.912 4.340 -0.001 0.000 0.288 335 L C -1.065 175.509 176.870 -0.493 0.000 1.046 335 L CA 0.100 54.447 54.840 -0.821 0.000 0.805 335 L CB 0.855 41.914 42.059 -1.667 0.000 1.193 335 L HN 0.453 nan 8.230 nan 0.000 0.426 336 I N 7.324 127.687 120.570 -0.344 0.000 2.502 336 I HA 0.344 4.513 4.170 -0.001 0.000 0.276 336 I C -2.285 173.805 176.117 -0.044 0.000 1.057 336 I CA -2.023 59.166 61.300 -0.185 0.000 1.163 336 I CB 1.017 38.878 38.000 -0.231 0.000 1.288 336 I HN 0.431 nan 8.210 nan 0.000 0.479 337 P HA 0.155 nan 4.420 nan 0.000 0.269 337 P C -0.455 177.021 177.300 0.294 0.000 1.209 337 P CA -0.207 63.019 63.100 0.211 0.000 0.776 337 P CB 0.838 32.691 31.700 0.256 0.000 0.876 338 L N 2.966 124.409 121.223 0.368 0.000 2.454 338 L HA 0.756 5.096 4.340 -0.001 0.000 0.258 338 L C -0.115 176.832 176.870 0.129 0.000 1.025 338 L CA 0.396 55.372 54.840 0.226 0.000 0.901 338 L CB 0.475 42.596 42.059 0.104 0.000 1.210 338 L HN 0.608 nan 8.230 nan 0.000 0.457 339 G N 1.718 110.480 108.800 -0.063 0.000 2.342 339 G HA2 0.477 4.436 3.960 -0.001 0.000 0.297 339 G HA3 0.477 4.436 3.960 -0.001 0.000 0.297 339 G C -2.209 172.577 174.900 -0.190 0.000 1.313 339 G CA -0.204 44.609 45.100 -0.479 0.000 0.830 339 G HN 0.400 nan 8.290 nan 0.000 0.506 340 D N -1.773 118.575 120.400 -0.087 0.000 2.879 340 D HA 0.294 4.933 4.640 -0.001 0.000 0.346 340 D C -1.568 174.860 176.300 0.214 0.000 1.390 340 D CA -0.445 53.673 54.000 0.197 0.000 0.838 340 D CB 1.394 42.257 40.800 0.104 0.000 1.416 340 D HN 0.214 nan 8.370 nan 0.000 0.493 341 D N 0.374 120.952 120.400 0.297 0.000 2.417 341 D HA 0.239 4.878 4.640 -0.001 0.000 0.250 341 D C 0.185 176.640 176.300 0.259 0.000 1.166 341 D CA 0.430 54.597 54.000 0.277 0.000 0.881 341 D CB -0.242 40.816 40.800 0.430 0.000 1.164 341 D HN 0.333 nan 8.370 nan 0.000 0.467 342 F N 0.328 120.337 119.950 0.098 0.000 3.048 342 F HA -0.306 4.221 4.527 -0.001 0.000 0.269 342 F C 1.106 176.943 175.800 0.062 0.000 0.960 342 F CA 0.607 58.643 58.000 0.060 0.000 0.909 342 F CB -0.946 38.075 39.000 0.036 0.000 0.837 342 F HN 0.223 nan 8.300 nan 0.000 0.768 343 R N -0.551 120.034 120.500 0.141 0.000 2.580 343 R HA 0.474 4.814 4.340 -0.001 0.000 0.267 343 R C 0.735 177.066 176.300 0.051 0.000 1.125 343 R CA -0.751 55.319 56.100 -0.050 0.000 1.188 343 R CB -0.109 30.041 30.300 -0.250 0.000 1.155 343 R HN 0.176 nan 8.270 nan 0.000 0.586 344 F N -0.645 119.147 119.950 -0.264 0.000 3.071 344 F HA -0.269 4.257 4.527 -0.001 0.000 0.295 344 F C 1.369 177.141 175.800 -0.047 0.000 0.919 344 F CA 1.031 58.690 58.000 -0.568 0.000 1.050 344 F CB -1.082 37.318 39.000 -1.000 0.000 1.040 344 F HN 0.601 nan 8.300 nan 0.000 0.692 345 K N -0.238 120.223 120.400 0.102 0.000 2.141 345 K HA 0.039 4.358 4.320 -0.001 0.000 0.202 345 K C 0.640 177.389 176.600 0.248 0.000 1.045 345 K CA 0.839 57.258 56.287 0.220 0.000 0.971 345 K CB 0.235 32.831 32.500 0.161 0.000 0.795 345 K HN 0.342 nan 8.250 nan 0.000 0.459 346 Q N 0.582 120.500 119.800 0.196 0.000 2.235 346 Q HA 0.171 4.511 4.340 -0.001 0.000 0.250 346 Q C 0.131 176.327 176.000 0.327 0.000 0.909 346 Q CA -0.107 55.838 55.803 0.236 0.000 0.910 346 Q CB 1.462 30.377 28.738 0.295 0.000 1.223 346 Q HN 0.224 nan 8.270 nan 0.000 0.432 347 N N -0.041 118.823 118.700 0.274 0.000 2.149 347 N HA -0.214 4.525 4.740 -0.001 0.000 0.188 347 N C 1.307 176.986 175.510 0.283 0.000 1.019 347 N CA 1.724 54.938 53.050 0.274 0.000 0.857 347 N CB 0.009 38.600 38.487 0.174 0.000 0.997 347 N HN 0.748 nan 8.380 nan 0.000 0.426 348 T N -1.337 113.375 114.554 0.263 0.000 2.833 348 T HA -0.157 4.192 4.350 -0.001 0.000 0.269 348 T C 1.644 176.547 174.700 0.339 0.000 1.054 348 T CA 1.051 63.325 62.100 0.290 0.000 1.135 348 T CB -0.193 68.833 68.868 0.264 0.000 0.869 348 T HN 0.310 nan 8.240 nan 0.000 0.466 349 E N -0.205 120.142 120.200 0.245 0.000 2.072 349 E HA -0.100 4.249 4.350 -0.001 0.000 0.190 349 E C 1.811 178.318 176.600 -0.154 0.000 0.982 349 E CA 0.748 57.048 56.400 -0.167 0.000 0.803 349 E CB -0.252 29.169 29.700 -0.466 0.000 0.755 349 E HN 0.700 nan 8.360 nan 0.000 0.453 350 W N 1.807 123.035 121.300 -0.121 0.000 2.335 350 W HA -0.198 4.462 4.660 -0.001 0.000 0.311 350 W C 2.115 178.502 176.519 -0.219 0.000 1.213 350 W CA 1.360 58.540 57.345 -0.275 0.000 1.274 350 W CB -0.277 28.685 29.460 -0.829 0.000 1.148 350 W HN 0.186 nan 8.180 nan 0.000 0.498 351 D N -0.647 119.872 120.400 0.198 0.000 2.117 351 D HA -0.158 4.481 4.640 -0.001 0.000 0.198 351 D C 2.287 178.691 176.300 0.172 0.000 0.982 351 D CA 1.340 55.498 54.000 0.264 0.000 0.828 351 D CB -0.948 40.003 40.800 0.252 0.000 0.967 351 D HN 0.030 nan 8.370 nan 0.000 0.464 352 V N 0.968 120.967 119.914 0.141 0.000 2.427 352 V HA -0.204 3.916 4.120 -0.001 0.000 0.248 352 V C 2.236 178.377 176.094 0.079 0.000 1.051 352 V CA 1.551 63.917 62.300 0.109 0.000 1.048 352 V CB -0.055 31.881 31.823 0.188 0.000 0.666 352 V HN 0.140 nan 8.190 nan 0.000 0.456 353 Q N -0.374 119.502 119.800 0.126 0.000 2.049 353 Q HA -0.175 4.165 4.340 -0.001 0.000 0.198 353 Q C 2.340 178.545 176.000 0.340 0.000 0.971 353 Q CA 1.775 57.748 55.803 0.284 0.000 0.833 353 Q CB -0.452 28.422 28.738 0.227 0.000 0.896 353 Q HN 0.607 nan 8.270 nan 0.000 0.434 354 R N 0.480 121.146 120.500 0.277 0.000 2.073 354 R HA -0.100 4.240 4.340 -0.001 0.000 0.234 354 R C 2.228 178.707 176.300 0.298 0.000 1.134 354 R CA 1.326 57.642 56.100 0.359 0.000 0.952 354 R CB -0.049 30.473 30.300 0.369 0.000 0.850 354 R HN 0.055 nan 8.270 nan 0.000 0.433 355 V N 1.958 121.967 119.914 0.159 0.000 2.358 355 V HA -0.229 3.891 4.120 -0.001 0.000 0.246 355 V C 1.999 178.034 176.094 -0.098 0.000 1.047 355 V CA 1.825 64.159 62.300 0.057 0.000 1.035 355 V CB -0.616 31.230 31.823 0.038 0.000 0.658 355 V HN 0.435 nan 8.190 nan 0.000 0.452 356 N N -0.610 117.915 118.700 -0.292 0.000 2.120 356 N HA -0.178 4.561 4.740 -0.001 0.000 0.188 356 N C 1.848 177.017 175.510 -0.568 0.000 1.024 356 N CA 1.697 54.347 53.050 -0.667 0.000 0.852 356 N CB -0.316 37.181 38.487 -1.650 0.000 1.003 356 N HN 0.525 nan 8.380 nan 0.000 0.424 357 Y N 1.825 121.922 120.300 -0.337 0.000 2.263 357 Y HA -0.046 4.504 4.550 -0.001 0.000 0.292 357 Y C 2.349 177.739 175.900 -0.849 0.000 1.130 357 Y CA 0.915 58.699 58.100 -0.527 0.000 1.179 357 Y CB -0.062 38.194 38.460 -0.340 0.000 0.998 357 Y HN 0.122 nan 8.280 nan 0.000 0.532 358 E N -0.225 119.845 120.200 -0.217 0.000 2.110 358 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 358 E C 2.177 178.727 176.600 -0.084 0.000 0.988 358 E CA 1.010 57.364 56.400 -0.076 0.000 0.804 358 E CB -0.101 29.679 29.700 0.134 0.000 0.745 358 E HN 0.463 nan 8.360 nan 0.000 0.458 359 R N 0.260 120.684 120.500 -0.126 0.000 2.092 359 R HA -0.069 4.270 4.340 -0.001 0.000 0.231 359 R C 2.431 178.695 176.300 -0.059 0.000 1.119 359 R CA 0.780 56.837 56.100 -0.073 0.000 0.970 359 R CB -0.207 30.031 30.300 -0.103 0.000 0.864 359 R HN 0.155 nan 8.270 nan 0.000 0.440 360 L N -0.375 120.740 121.223 -0.179 0.000 2.017 360 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 360 L C 2.081 178.987 176.870 0.059 0.000 1.073 360 L CA 1.147 55.919 54.840 -0.113 0.000 0.745 360 L CB -0.392 41.508 42.059 -0.265 0.000 0.894 360 L HN 0.080 nan 8.230 nan 0.000 0.432 361 F N 0.238 120.203 119.950 0.025 0.000 2.134 361 F HA -0.209 4.317 4.527 -0.001 0.000 0.299 361 F C 2.633 178.440 175.800 0.011 0.000 1.097 361 F CA 1.287 59.289 58.000 0.003 0.000 1.264 361 F CB -0.941 38.019 39.000 -0.067 0.000 1.001 361 F HN 0.209 nan 8.300 nan 0.000 0.479 362 E N -0.758 119.570 120.200 0.214 0.000 2.077 362 E HA -0.279 4.070 4.350 -0.001 0.000 0.193 362 E C 2.183 178.866 176.600 0.138 0.000 0.989 362 E CA 1.400 57.887 56.400 0.145 0.000 0.800 362 E CB -0.207 29.562 29.700 0.115 0.000 0.746 362 E HN 0.510 nan 8.360 nan 0.000 0.452 363 H N 0.229 119.347 119.070 0.080 0.000 2.299 363 H HA -0.029 4.526 4.556 -0.001 0.000 0.302 363 H C 2.038 177.451 175.328 0.141 0.000 1.078 363 H CA 2.088 58.195 56.048 0.098 0.000 1.323 363 H CB -0.173 29.642 29.762 0.090 0.000 1.381 363 H HN 0.137 nan 8.280 nan 0.000 0.498 364 I N 0.506 121.139 120.570 0.106 0.000 2.208 364 I HA -0.295 3.874 4.170 -0.001 0.000 0.245 364 I C 1.611 177.753 176.117 0.041 0.000 1.097 364 I CA 1.394 62.722 61.300 0.046 0.000 1.363 364 I CB -0.290 37.685 38.000 -0.042 0.000 1.051 364 I HN 0.364 nan 8.210 nan 0.000 0.413 365 N N 0.218 118.934 118.700 0.028 0.000 2.459 365 N HA -0.102 4.637 4.740 -0.001 0.000 0.181 365 N C 1.792 177.284 175.510 -0.030 0.000 1.046 365 N CA 1.410 54.453 53.050 -0.013 0.000 0.904 365 N CB -0.203 38.270 38.487 -0.023 0.000 0.964 365 N HN 0.408 nan 8.380 nan 0.000 0.444 366 S N -1.109 114.566 115.700 -0.043 0.000 2.524 366 S HA 0.153 4.623 4.470 -0.001 0.000 0.215 366 S C 0.526 175.068 174.600 -0.097 0.000 0.986 366 S CA -0.224 57.941 58.200 -0.057 0.000 0.911 366 S CB 0.312 63.490 63.200 -0.036 0.000 0.805 366 S HN -0.055 nan 8.310 nan 0.000 0.501 367 Q N 1.502 121.214 119.800 -0.147 0.000 2.503 367 Q HA 0.542 4.882 4.340 -0.001 0.000 0.227 367 Q C 1.011 176.862 176.000 -0.247 0.000 1.109 367 Q CA 0.106 55.771 55.803 -0.230 0.000 0.922 367 Q CB 0.995 29.480 28.738 -0.422 0.000 1.249 367 Q HN 0.466 nan 8.270 nan 0.000 0.530 368 A N 2.493 125.238 122.820 -0.125 0.000 1.986 368 A HA -0.279 4.041 4.320 -0.001 0.000 0.220 368 A C 1.627 179.145 177.584 -0.110 0.000 1.171 368 A CA 2.224 54.208 52.037 -0.088 0.000 0.640 368 A CB -0.739 18.238 19.000 -0.038 0.000 0.811 368 A HN 0.887 nan 8.150 nan 0.000 0.451 369 H N -3.366 115.627 119.070 -0.128 0.000 2.489 369 H HA -0.059 4.496 4.556 -0.001 0.000 0.295 369 H C 1.339 176.618 175.328 -0.083 0.000 1.082 369 H CA 1.581 57.544 56.048 -0.143 0.000 1.295 369 H CB -0.582 29.039 29.762 -0.236 0.000 1.380 369 H HN 0.430 nan 8.280 nan 0.000 0.548 370 F N 0.830 120.483 119.950 -0.495 0.000 2.367 370 F HA 0.051 4.577 4.527 -0.001 0.000 0.298 370 F C 0.747 176.497 175.800 -0.083 0.000 1.094 370 F CA 0.529 58.389 58.000 -0.234 0.000 1.409 370 F CB -0.256 38.578 39.000 -0.275 0.000 1.064 370 F HN 0.167 nan 8.300 nan 0.000 0.528 371 N N 0.716 119.470 118.700 0.090 0.000 2.725 371 N HA -0.166 4.574 4.740 -0.001 0.000 0.251 371 N C -1.018 174.486 175.510 -0.011 0.000 1.031 371 N CA 0.437 53.520 53.050 0.054 0.000 0.720 371 N CB -1.469 37.094 38.487 0.126 0.000 0.930 371 N HN 0.031 nan 8.380 nan 0.000 0.543 372 V N 0.662 120.559 119.914 -0.028 0.000 2.735 372 V HA 0.406 4.526 4.120 -0.001 0.000 0.310 372 V C 0.110 176.122 176.094 -0.138 0.000 1.061 372 V CA -0.661 61.568 62.300 -0.119 0.000 0.913 372 V CB 2.477 34.261 31.823 -0.065 0.000 1.005 372 V HN 0.196 nan 8.190 nan 0.000 0.428 373 Q N 3.116 122.775 119.800 -0.235 0.000 2.363 373 Q HA 0.752 5.091 4.340 -0.001 0.000 0.265 373 Q C -0.819 174.923 176.000 -0.429 0.000 1.032 373 Q CA -0.145 55.496 55.803 -0.269 0.000 0.746 373 Q CB 1.586 30.169 28.738 -0.259 0.000 1.237 373 Q HN 0.996 nan 8.270 nan 0.000 0.475 374 A N 4.291 126.847 122.820 -0.441 0.000 2.337 374 A HA 0.915 5.234 4.320 -0.001 0.000 0.329 374 A C -1.141 175.746 177.584 -1.162 0.000 1.146 374 A CA -0.499 51.103 52.037 -0.724 0.000 0.800 374 A CB 1.170 19.935 19.000 -0.391 0.000 1.220 374 A HN 0.762 nan 8.150 nan 0.000 0.472 375 Q N 1.119 120.137 119.800 -1.302 0.000 2.575 375 Q HA 0.451 4.791 4.340 -0.001 0.000 0.290 375 Q C -1.625 173.920 176.000 -0.759 0.000 0.963 375 Q CA -0.696 54.362 55.803 -1.241 0.000 0.783 375 Q CB 0.485 28.887 28.738 -0.560 0.000 1.467 375 Q HN 0.381 nan 8.270 nan 0.000 0.402 376 F N 0.534 120.377 119.950 -0.179 0.000 2.506 376 F HA 0.614 5.141 4.527 -0.001 0.000 0.351 376 F C 1.269 177.114 175.800 0.075 0.000 1.136 376 F CA 1.485 59.523 58.000 0.062 0.000 1.298 376 F CB 0.820 39.917 39.000 0.162 0.000 1.145 376 F HN 0.752 nan 8.300 nan 0.000 0.593 377 G N 0.132 109.113 108.800 0.303 0.000 2.687 377 G HA2 0.604 4.563 3.960 -0.001 0.000 0.291 377 G HA3 0.604 4.563 3.960 -0.001 0.000 0.291 377 G C -1.126 173.771 174.900 -0.006 0.000 1.420 377 G CA -0.605 44.607 45.100 0.186 0.000 0.796 377 G HN 0.724 nan 8.290 nan 0.000 0.485 378 T N -1.885 112.581 114.554 -0.147 0.000 2.938 378 T HA 0.486 4.836 4.350 -0.001 0.000 0.285 378 T C 1.259 175.789 174.700 -0.284 0.000 1.028 378 T CA -0.464 61.512 62.100 -0.206 0.000 1.005 378 T CB 1.558 70.319 68.868 -0.178 0.000 1.157 378 T HN 0.576 nan 8.240 nan 0.000 0.550 379 L N 0.541 121.596 121.223 -0.281 0.000 2.027 379 L HA 0.040 4.379 4.340 -0.001 0.000 0.206 379 L C 2.766 179.574 176.870 -0.103 0.000 1.074 379 L CA 1.987 56.684 54.840 -0.239 0.000 0.745 379 L CB -1.124 40.821 42.059 -0.191 0.000 0.898 379 L HN 0.896 nan 8.230 nan 0.000 0.433 380 Q N -0.088 119.686 119.800 -0.043 0.000 2.124 380 Q HA -0.220 4.120 4.340 -0.001 0.000 0.202 380 Q C 2.077 178.003 176.000 -0.124 0.000 0.977 380 Q CA 1.940 57.756 55.803 0.022 0.000 0.850 380 Q CB -0.176 28.548 28.738 -0.023 0.000 0.901 380 Q HN 0.631 nan 8.270 nan 0.000 0.429 381 E N -1.172 118.859 120.200 -0.282 0.000 2.077 381 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 381 E C 1.682 177.826 176.600 -0.760 0.000 0.989 381 E CA 1.137 57.245 56.400 -0.487 0.000 0.800 381 E CB -0.306 29.023 29.700 -0.618 0.000 0.746 381 E HN 0.472 nan 8.360 nan 0.000 0.452 382 Y N 0.695 120.443 120.300 -0.920 0.000 2.097 382 Y HA -0.294 4.255 4.550 -0.001 0.000 0.282 382 Y C 1.908 177.510 175.900 -0.496 0.000 1.152 382 Y CA 1.711 59.318 58.100 -0.823 0.000 1.136 382 Y CB -0.523 37.475 38.460 -0.770 0.000 0.975 382 Y HN -0.050 nan 8.280 nan 0.000 0.498 383 F N 0.877 120.567 119.950 -0.435 0.000 2.134 383 F HA -0.188 4.338 4.527 -0.001 0.000 0.299 383 F C 2.262 177.823 175.800 -0.398 0.000 1.097 383 F CA 1.784 59.505 58.000 -0.466 0.000 1.264 383 F CB -0.876 38.046 39.000 -0.131 0.000 1.001 383 F HN 0.107 nan 8.300 nan 0.000 0.479 384 D N -0.033 120.312 120.400 -0.092 0.000 2.144 384 D HA -0.148 4.492 4.640 -0.001 0.000 0.199 384 D C 2.341 178.561 176.300 -0.135 0.000 0.984 384 D CA 1.456 55.411 54.000 -0.076 0.000 0.834 384 D CB -0.562 40.184 40.800 -0.090 0.000 0.955 384 D HN 0.247 nan 8.370 nan 0.000 0.465 385 A N 0.426 123.109 122.820 -0.228 0.000 1.929 385 A HA -0.081 4.239 4.320 -0.001 0.000 0.216 385 A C 2.507 179.966 177.584 -0.209 0.000 1.176 385 A CA 0.833 52.781 52.037 -0.149 0.000 0.628 385 A CB -0.601 18.393 19.000 -0.011 0.000 0.816 385 A HN 0.129 nan 8.150 nan 0.000 0.444 386 V N -0.005 119.646 119.914 -0.439 0.000 2.295 386 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 386 V C 2.415 178.316 176.094 -0.322 0.000 1.049 386 V CA 2.119 64.162 62.300 -0.429 0.000 1.024 386 V CB -1.034 30.355 31.823 -0.723 0.000 0.648 386 V HN 0.650 nan 8.190 nan 0.000 0.447 387 H N -0.248 118.704 119.070 -0.197 0.000 2.457 387 H HA -0.089 4.466 4.556 -0.001 0.000 0.294 387 H C 2.409 177.701 175.328 -0.061 0.000 1.064 387 H CA 1.372 57.336 56.048 -0.140 0.000 1.330 387 H CB -0.094 29.545 29.762 -0.206 0.000 1.395 387 H HN 0.555 nan 8.280 nan 0.000 0.541 388 Q N 0.267 120.080 119.800 0.023 0.000 2.084 388 Q HA -0.067 4.272 4.340 -0.001 0.000 0.202 388 Q C 2.569 178.586 176.000 0.028 0.000 0.978 388 Q CA 1.289 57.104 55.803 0.019 0.000 0.844 388 Q CB -0.006 28.732 28.738 -0.000 0.000 0.898 388 Q HN 0.410 nan 8.270 nan 0.000 0.426 389 A N 1.107 123.940 122.820 0.021 0.000 1.902 389 A HA -0.266 4.053 4.320 -0.001 0.000 0.217 389 A C 1.945 179.562 177.584 0.055 0.000 1.181 389 A CA 1.659 53.723 52.037 0.045 0.000 0.623 389 A CB -0.574 18.458 19.000 0.052 0.000 0.818 389 A HN 0.454 nan 8.150 nan 0.000 0.443 390 E N -0.238 120.012 120.200 0.084 0.000 2.051 390 E HA -0.218 4.132 4.350 -0.001 0.000 0.192 390 E C 2.226 178.870 176.600 0.072 0.000 0.991 390 E CA 1.119 57.580 56.400 0.101 0.000 0.799 390 E CB -0.139 29.734 29.700 0.288 0.000 0.748 390 E HN 0.584 nan 8.360 nan 0.000 0.449 391 R N -0.208 120.335 120.500 0.073 0.000 2.148 391 R HA -0.038 4.302 4.340 -0.001 0.000 0.227 391 R C 2.146 178.465 176.300 0.032 0.000 1.103 391 R CA 0.859 56.987 56.100 0.046 0.000 0.983 391 R CB -0.153 30.169 30.300 0.036 0.000 0.874 391 R HN 0.133 nan 8.270 nan 0.000 0.451 392 A N 0.246 123.086 122.820 0.033 0.000 2.235 392 A HA 0.152 4.472 4.320 -0.001 0.000 0.208 392 A C 1.389 178.986 177.584 0.022 0.000 1.172 392 A CA 0.850 52.904 52.037 0.029 0.000 0.786 392 A CB -0.228 18.795 19.000 0.038 0.000 0.804 392 A HN 0.461 nan 8.150 nan 0.000 0.479 393 G N -0.450 108.360 108.800 0.017 0.000 2.143 393 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.249 393 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.249 393 G C 0.755 175.651 174.900 -0.007 0.000 0.981 393 G CA 0.735 45.836 45.100 0.002 0.000 0.665 393 G HN 0.989 nan 8.290 nan 0.000 0.528 394 Q N -0.682 119.121 119.800 0.005 0.000 2.432 394 Q HA 0.645 4.985 4.340 -0.001 0.000 0.205 394 Q C 0.910 176.890 176.000 -0.034 0.000 0.945 394 Q CA 1.290 57.098 55.803 0.009 0.000 0.924 394 Q CB 0.325 29.106 28.738 0.071 0.000 1.016 394 Q HN 1.705 nan 8.270 nan 0.000 0.503 395 A N 1.060 123.816 122.820 -0.106 0.000 2.604 395 A HA 0.517 4.836 4.320 -0.001 0.000 0.295 395 A C -1.720 175.637 177.584 -0.378 0.000 1.067 395 A CA -0.926 50.956 52.037 -0.258 0.000 0.683 395 A CB 1.268 20.051 19.000 -0.362 0.000 1.281 395 A HN 0.363 nan 8.150 nan 0.000 0.407 396 E N 0.690 120.645 120.200 -0.408 0.000 2.288 396 E HA 0.766 5.115 4.350 -0.001 0.000 0.268 396 E C -1.736 174.635 176.600 -0.382 0.000 0.885 396 E CA -0.585 55.641 56.400 -0.290 0.000 0.767 396 E CB 1.797 31.447 29.700 -0.083 0.000 1.220 396 E HN 0.341 nan 8.360 nan 0.000 0.427 397 F N 1.426 121.484 119.950 0.179 0.000 2.492 397 F HA 0.431 4.958 4.527 -0.000 0.000 0.327 397 F C -1.905 173.994 175.800 0.164 0.000 1.079 397 F CA -2.313 55.812 58.000 0.208 0.000 0.967 397 F CB 1.253 40.453 39.000 0.334 0.000 1.169 397 F HN 0.327 nan 8.300 nan 0.000 0.472 398 P HA 0.177 nan 4.420 nan 0.000 0.274 398 P C -0.663 176.773 177.300 0.227 0.000 1.231 398 P CA -0.355 62.873 63.100 0.213 0.000 0.790 398 P CB 1.005 32.798 31.700 0.155 0.000 0.951 399 T N -0.196 114.446 114.554 0.146 0.000 2.907 399 T HA 0.672 5.021 4.350 -0.001 0.000 0.284 399 T C -0.253 174.476 174.700 0.048 0.000 1.004 399 T CA -0.793 61.386 62.100 0.131 0.000 1.063 399 T CB 1.054 69.977 68.868 0.092 0.000 0.992 399 T HN 0.473 nan 8.240 nan 0.000 0.483 400 L N 1.723 122.973 121.223 0.046 0.000 2.472 400 L HA 0.710 5.049 4.340 -0.001 0.000 0.260 400 L C -0.747 176.111 176.870 -0.022 0.000 0.963 400 L CA -0.412 54.346 54.840 -0.138 0.000 0.829 400 L CB 2.188 43.920 42.059 -0.545 0.000 1.348 400 L HN 1.109 nan 8.230 nan 0.000 0.408 401 S N 2.463 118.105 115.700 -0.097 0.000 2.599 401 S HA 1.063 5.533 4.470 -0.001 0.000 0.287 401 S C -0.322 174.201 174.600 -0.129 0.000 1.105 401 S CA -0.031 58.170 58.200 0.002 0.000 0.899 401 S CB 2.059 65.227 63.200 -0.055 0.000 1.100 401 S HN 1.706 nan 8.310 nan 0.000 0.482 402 G N 1.013 109.796 108.800 -0.029 0.000 2.316 402 G HA2 0.327 4.287 3.960 -0.001 0.000 0.349 402 G HA3 0.327 4.287 3.960 -0.001 0.000 0.349 402 G C -1.835 172.964 174.900 -0.169 0.000 1.274 402 G CA -0.009 44.974 45.100 -0.195 0.000 1.018 402 G HN 1.287 nan 8.290 nan 0.000 0.486 403 D N -1.752 118.412 120.400 -0.392 0.000 2.585 403 D HA 0.748 5.387 4.640 -0.001 0.000 0.254 403 D C -0.665 175.131 176.300 -0.840 0.000 1.067 403 D CA -1.042 52.745 54.000 -0.355 0.000 1.090 403 D CB 1.092 41.869 40.800 -0.038 0.000 1.408 403 D HN 0.378 nan 8.370 nan 0.000 0.554 404 F N -0.430 119.399 119.950 -0.203 0.000 2.679 404 F HA 0.401 4.927 4.527 -0.001 0.000 0.354 404 F C -0.929 174.715 175.800 -0.260 0.000 1.423 404 F CA -0.637 57.244 58.000 -0.199 0.000 1.141 404 F CB 0.150 39.062 39.000 -0.146 0.000 1.168 404 F HN 0.000 nan 8.300 nan 0.000 0.530 405 F N -0.662 119.470 119.950 0.303 0.000 2.546 405 F HA 0.562 5.088 4.527 -0.001 0.000 0.320 405 F C 0.573 176.636 175.800 0.438 0.000 1.076 405 F CA -1.409 56.839 58.000 0.414 0.000 0.928 405 F CB 1.671 40.906 39.000 0.390 0.000 1.189 405 F HN -0.287 nan 8.300 nan 0.000 0.465 406 T N 2.049 116.991 114.554 0.647 0.000 2.799 406 T HA 0.176 4.526 4.350 -0.001 0.000 0.286 406 T C -0.957 174.211 174.700 0.779 0.000 0.973 406 T CA -0.213 62.333 62.100 0.743 0.000 1.035 406 T CB 0.185 69.354 68.868 0.502 0.000 0.932 406 T HN 0.373 nan 8.240 nan 0.000 0.469 407 Y N 2.969 123.599 120.300 0.549 0.000 2.497 407 Y HA 0.426 4.975 4.550 -0.001 0.000 0.334 407 Y C -0.155 175.784 175.900 0.066 0.000 1.199 407 Y CA -1.082 57.168 58.100 0.250 0.000 1.425 407 Y CB 0.155 38.637 38.460 0.036 0.000 1.291 407 Y HN 0.677 nan 8.280 nan 0.000 0.562 408 A N 5.176 127.526 122.820 -0.784 0.000 2.374 408 A HA 0.351 4.670 4.320 -0.001 0.000 0.305 408 A C -0.074 176.861 177.584 -1.083 0.000 1.053 408 A CA -0.266 51.162 52.037 -1.015 0.000 0.726 408 A CB 0.692 18.829 19.000 -1.438 0.000 1.229 408 A HN 0.807 nan 8.150 nan 0.000 0.431 409 D N 1.639 121.543 120.400 -0.827 0.000 2.333 409 D HA 0.042 4.682 4.640 -0.001 0.000 0.208 409 D C 0.524 176.825 176.300 0.002 0.000 0.984 409 D CA 0.567 54.350 54.000 -0.360 0.000 0.873 409 D CB 0.166 40.888 40.800 -0.131 0.000 0.935 409 D HN 0.736 nan 8.370 nan 0.000 0.521 410 R N -2.299 118.144 120.500 -0.096 0.000 2.687 410 R HA 0.368 4.707 4.340 -0.001 0.000 0.265 410 R C -0.045 176.142 176.300 -0.188 0.000 1.048 410 R CA -0.143 55.745 56.100 -0.352 0.000 0.884 410 R CB 0.680 30.858 30.300 -0.203 0.000 1.258 410 R HN -0.129 nan 8.270 nan 0.000 0.469 411 S N 0.399 115.940 115.700 -0.265 0.000 4.106 411 S HA -0.323 4.147 4.470 -0.001 0.000 0.541 411 S C 0.552 175.236 174.600 0.141 0.000 1.846 411 S CA 2.200 60.398 58.200 -0.003 0.000 4.137 411 S CB -0.981 62.195 63.200 -0.041 0.000 0.892 411 S HN 1.067 nan 8.310 nan 0.000 0.535 412 D N 1.366 121.831 120.400 0.108 0.000 2.463 412 D HA 0.216 4.855 4.640 -0.001 0.000 0.224 412 D C -0.122 176.279 176.300 0.168 0.000 1.174 412 D CA -0.180 53.954 54.000 0.222 0.000 0.829 412 D CB -1.476 39.435 40.800 0.184 0.000 0.993 412 D HN 0.522 nan 8.370 nan 0.000 0.497 413 N N 0.942 119.641 118.700 -0.000 0.000 2.807 413 N HA 0.069 4.808 4.740 -0.001 0.000 0.259 413 N C -0.959 174.560 175.510 0.015 0.000 1.149 413 N CA -0.336 52.717 53.050 0.004 0.000 1.042 413 N CB 0.212 38.688 38.487 -0.018 0.000 1.367 413 N HN 0.127 nan 8.380 nan 0.000 0.516 414 Y N 0.228 120.615 120.300 0.145 0.000 2.313 414 Y HA 0.134 4.683 4.550 -0.001 0.000 0.332 414 Y C 0.072 176.164 175.900 0.319 0.000 1.071 414 Y CA -0.676 57.576 58.100 0.254 0.000 1.169 414 Y CB 0.626 39.177 38.460 0.152 0.000 1.192 414 Y HN 0.410 nan 8.280 nan 0.000 0.487 415 W N 2.341 123.764 121.300 0.205 0.000 1.809 415 W HA 0.229 4.888 4.660 -0.001 0.000 0.399 415 W C 0.848 177.388 176.519 0.034 0.000 0.636 415 W CA -0.552 56.941 57.345 0.247 0.000 2.178 415 W CB -0.418 29.306 29.460 0.439 0.000 1.632 415 W HN 0.551 nan 8.180 nan 0.000 0.470 416 S N -2.142 113.570 115.700 0.020 0.000 2.556 416 S HA 0.128 4.597 4.470 -0.001 0.000 0.216 416 S C 1.939 176.259 174.600 -0.467 0.000 0.970 416 S CA 0.336 58.173 58.200 -0.604 0.000 0.912 416 S CB 0.183 63.368 63.200 -0.025 0.000 0.790 416 S HN 0.333 nan 8.310 nan 0.000 0.504 417 G N 1.955 110.678 108.800 -0.128 0.000 2.408 417 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.217 417 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.217 417 G C 1.243 176.115 174.900 -0.047 0.000 1.150 417 G CA 0.846 45.881 45.100 -0.108 0.000 0.776 417 G HN 0.793 nan 8.290 nan 0.000 0.542 418 Y N -0.452 119.813 120.300 -0.058 0.000 2.616 418 Y HA 0.136 4.685 4.550 -0.001 0.000 0.296 418 Y C 1.795 177.823 175.900 0.213 0.000 1.154 418 Y CA -0.286 57.863 58.100 0.082 0.000 1.325 418 Y CB -0.343 38.244 38.460 0.211 0.000 1.007 418 Y HN 0.177 nan 8.280 nan 0.000 0.542 419 Y N 0.606 120.690 120.300 -0.360 0.000 2.574 419 Y HA -0.018 4.531 4.550 -0.001 0.000 0.294 419 Y C 1.695 177.546 175.900 -0.081 0.000 1.142 419 Y CA 0.606 58.528 58.100 -0.297 0.000 1.314 419 Y CB -0.700 37.626 38.460 -0.224 0.000 0.991 419 Y HN 0.305 nan 8.280 nan 0.000 0.555 420 T N -2.746 111.877 114.554 0.115 0.000 2.980 420 T HA 0.079 4.428 4.350 -0.001 0.000 0.252 420 T C 0.708 175.493 174.700 0.142 0.000 0.962 420 T CA -0.076 62.091 62.100 0.111 0.000 0.932 420 T CB 0.026 68.929 68.868 0.058 0.000 1.188 420 T HN -0.065 nan 8.240 nan 0.000 0.500 421 S N 2.505 118.287 115.700 0.135 0.000 2.573 421 S HA 0.180 4.649 4.470 -0.001 0.000 0.297 421 S C 0.412 175.144 174.600 0.219 0.000 1.280 421 S CA 0.008 58.299 58.200 0.152 0.000 1.061 421 S CB 0.075 63.351 63.200 0.126 0.000 0.812 421 S HN 0.405 nan 8.310 nan 0.000 0.500 422 R N 1.032 121.677 120.500 0.242 0.000 3.146 422 R HA -0.123 4.216 4.340 -0.001 0.000 0.250 422 R C -1.936 174.608 176.300 0.407 0.000 0.912 422 R CA 0.692 57.011 56.100 0.365 0.000 0.633 422 R CB -1.770 28.774 30.300 0.406 0.000 1.180 422 R HN 0.515 nan 8.270 nan 0.000 0.464 423 P HA -0.229 nan 4.420 nan 0.000 0.221 423 P C 1.119 178.622 177.300 0.339 0.000 1.150 423 P CA 1.019 64.332 63.100 0.354 0.000 0.800 423 P CB -0.026 31.925 31.700 0.419 0.000 0.787 424 Y N 1.453 121.834 120.300 0.135 0.000 2.165 424 Y HA -0.251 4.298 4.550 -0.001 0.000 0.286 424 Y C 2.271 178.127 175.900 -0.073 0.000 1.155 424 Y CA 2.052 60.145 58.100 -0.012 0.000 1.164 424 Y CB -0.896 37.432 38.460 -0.221 0.000 0.978 424 Y HN 0.063 nan 8.280 nan 0.000 0.513 425 H N -0.904 118.401 119.070 0.391 0.000 2.470 425 H HA 0.030 4.585 4.556 -0.001 0.000 0.289 425 H C 2.051 177.507 175.328 0.213 0.000 1.033 425 H CA 1.208 57.398 56.048 0.237 0.000 1.331 425 H CB -0.100 29.862 29.762 0.333 0.000 1.414 425 H HN 0.231 nan 8.280 nan 0.000 0.545 426 K N 0.387 120.995 120.400 0.347 0.000 2.057 426 K HA -0.167 4.153 4.320 -0.001 0.000 0.207 426 K C 2.254 178.907 176.600 0.089 0.000 1.049 426 K CA 1.261 57.697 56.287 0.249 0.000 0.931 426 K CB 0.063 32.691 32.500 0.213 0.000 0.714 426 K HN 0.026 nan 8.250 nan 0.000 0.440 427 R N 1.330 121.851 120.500 0.035 0.000 2.075 427 R HA -0.008 4.332 4.340 -0.001 0.000 0.232 427 R C 2.039 178.095 176.300 -0.408 0.000 1.126 427 R CA 1.431 57.487 56.100 -0.073 0.000 0.963 427 R CB -0.420 29.930 30.300 0.083 0.000 0.858 427 R HN 0.163 nan 8.270 nan 0.000 0.435 428 M N 0.247 119.463 119.600 -0.639 0.000 2.149 428 M HA -0.200 4.279 4.480 -0.001 0.000 0.261 428 M C 1.431 177.369 176.300 -0.605 0.000 1.064 428 M CA 2.403 57.055 55.300 -1.080 0.000 1.102 428 M CB -0.309 31.825 32.600 -0.777 0.000 1.369 428 M HN 0.281 nan 8.290 nan 0.000 0.408 429 D N -0.282 119.965 120.400 -0.255 0.000 2.133 429 D HA -0.215 4.425 4.640 -0.001 0.000 0.195 429 D C 1.886 178.103 176.300 -0.138 0.000 0.997 429 D CA 1.422 55.381 54.000 -0.069 0.000 0.840 429 D CB 0.127 41.044 40.800 0.195 0.000 0.947 429 D HN 0.216 nan 8.370 nan 0.000 0.452 430 R N 0.045 120.450 120.500 -0.159 0.000 2.115 430 R HA 0.002 4.341 4.340 -0.001 0.000 0.226 430 R C 2.408 178.605 176.300 -0.172 0.000 1.100 430 R CA 0.379 56.396 56.100 -0.139 0.000 0.980 430 R CB -0.917 29.322 30.300 -0.102 0.000 0.875 430 R HN 0.260 nan 8.270 nan 0.000 0.445 431 V N 1.504 121.222 119.914 -0.327 0.000 2.270 431 V HA -0.212 3.907 4.120 -0.001 0.000 0.245 431 V C 2.358 178.312 176.094 -0.234 0.000 1.043 431 V CA 1.517 63.618 62.300 -0.330 0.000 1.014 431 V CB -0.565 30.769 31.823 -0.815 0.000 0.645 431 V HN 0.137 nan 8.190 nan 0.000 0.447 432 L N -0.368 120.631 121.223 -0.372 0.000 2.083 432 L HA -0.157 4.183 4.340 -0.001 0.000 0.209 432 L C 2.311 179.116 176.870 -0.108 0.000 1.083 432 L CA 2.043 56.728 54.840 -0.259 0.000 0.752 432 L CB -0.668 41.223 42.059 -0.281 0.000 0.899 432 L HN 0.337 nan 8.230 nan 0.000 0.433 433 M N -1.293 118.241 119.600 -0.110 0.000 2.082 433 M HA -0.334 4.145 4.480 -0.001 0.000 0.258 433 M C 2.374 178.633 176.300 -0.069 0.000 1.069 433 M CA 2.439 57.675 55.300 -0.105 0.000 1.102 433 M CB -0.412 32.094 32.600 -0.155 0.000 1.336 433 M HN 0.559 nan 8.290 nan 0.000 0.404 434 H N -0.764 118.265 119.070 -0.068 0.000 2.363 434 H HA -0.145 4.411 4.556 -0.001 0.000 0.301 434 H C 1.447 176.809 175.328 0.057 0.000 1.074 434 H CA 2.278 58.312 56.048 -0.023 0.000 1.354 434 H CB -0.351 29.405 29.762 -0.011 0.000 1.397 434 H HN 0.482 nan 8.280 nan 0.000 0.516 435 Y N -0.517 119.632 120.300 -0.251 0.000 2.274 435 Y HA -0.146 4.403 4.550 -0.001 0.000 0.290 435 Y C 2.705 178.480 175.900 -0.208 0.000 1.145 435 Y CA 1.189 59.149 58.100 -0.234 0.000 1.203 435 Y CB -0.486 37.902 38.460 -0.120 0.000 0.984 435 Y HN 0.114 nan 8.280 nan 0.000 0.533 436 V N 0.122 120.021 119.914 -0.025 0.000 2.307 436 V HA -0.305 3.814 4.120 -0.001 0.000 0.245 436 V C 2.524 178.555 176.094 -0.105 0.000 1.045 436 V CA 2.159 64.418 62.300 -0.068 0.000 1.024 436 V CB -0.576 31.199 31.823 -0.081 0.000 0.651 436 V HN 0.311 nan 8.190 nan 0.000 0.449 437 R N 0.445 120.859 120.500 -0.143 0.000 2.083 437 R HA -0.197 4.142 4.340 -0.001 0.000 0.237 437 R C 2.245 178.477 176.300 -0.114 0.000 1.137 437 R CA 1.982 58.005 56.100 -0.129 0.000 0.951 437 R CB -0.513 29.707 30.300 -0.134 0.000 0.851 437 R HN 0.461 nan 8.270 nan 0.000 0.434 438 A N 0.610 123.301 122.820 -0.215 0.000 1.930 438 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 438 A C 2.373 179.912 177.584 -0.075 0.000 1.175 438 A CA 1.581 53.560 52.037 -0.096 0.000 0.627 438 A CB -0.725 18.140 19.000 -0.224 0.000 0.815 438 A HN 0.582 nan 8.150 nan 0.000 0.443 439 A N -0.108 122.657 122.820 -0.091 0.000 1.898 439 A HA -0.154 4.165 4.320 -0.001 0.000 0.216 439 A C 1.932 179.468 177.584 -0.080 0.000 1.181 439 A CA 1.548 53.541 52.037 -0.072 0.000 0.620 439 A CB -0.505 18.462 19.000 -0.056 0.000 0.819 439 A HN 0.620 nan 8.150 nan 0.000 0.442 440 E N -0.962 119.188 120.200 -0.083 0.000 2.106 440 E HA -0.196 4.154 4.350 -0.001 0.000 0.192 440 E C 2.058 178.596 176.600 -0.103 0.000 0.984 440 E CA 1.341 57.684 56.400 -0.096 0.000 0.806 440 E CB -0.259 29.386 29.700 -0.092 0.000 0.750 440 E HN 0.752 nan 8.360 nan 0.000 0.458 441 M N 0.737 120.299 119.600 -0.064 0.000 2.123 441 M HA -0.134 4.346 4.480 -0.001 0.000 0.263 441 M C 2.154 178.453 176.300 -0.001 0.000 1.069 441 M CA 1.299 56.564 55.300 -0.058 0.000 1.133 441 M CB 0.053 32.714 32.600 0.101 0.000 1.356 441 M HN 0.072 nan 8.290 nan 0.000 0.415 442 L N 0.096 121.365 121.223 0.076 0.000 2.079 442 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 442 L C 2.576 179.594 176.870 0.247 0.000 1.081 442 L CA 1.721 56.659 54.840 0.165 0.000 0.752 442 L CB -0.546 41.456 42.059 -0.095 0.000 0.896 442 L HN 0.510 nan 8.230 nan 0.000 0.433 443 S N -1.119 114.646 115.700 0.108 0.000 2.528 443 S HA 0.105 4.574 4.470 -0.001 0.000 0.219 443 S C 1.922 176.675 174.600 0.254 0.000 0.985 443 S CA 0.333 58.667 58.200 0.224 0.000 0.914 443 S CB 0.101 63.233 63.200 -0.113 0.000 0.776 443 S HN 0.284 nan 8.310 nan 0.000 0.526 444 A N 0.823 123.622 122.820 -0.033 0.000 2.066 444 A HA 0.123 4.442 4.320 -0.001 0.000 0.218 444 A C 1.647 179.111 177.584 -0.201 0.000 1.157 444 A CA 0.603 52.525 52.037 -0.190 0.000 0.670 444 A CB -1.111 17.627 19.000 -0.437 0.000 0.804 444 A HN 0.752 nan 8.150 nan 0.000 0.453 445 W N -0.641 120.666 121.300 0.012 0.000 2.465 445 W HA 0.005 4.665 4.660 -0.001 0.000 0.268 445 W C 0.916 177.219 176.519 -0.361 0.000 1.242 445 W CA 0.959 58.210 57.345 -0.156 0.000 1.248 445 W CB -0.119 29.204 29.460 -0.227 0.000 1.118 445 W HN 0.393 nan 8.180 nan 0.000 0.587 446 H N -2.416 116.708 119.070 0.090 0.000 2.797 446 H HA 0.397 4.952 4.556 -0.001 0.000 0.362 446 H C -0.422 174.806 175.328 -0.166 0.000 1.183 446 H CA -0.910 55.037 56.048 -0.168 0.000 1.197 446 H CB 1.597 31.010 29.762 -0.582 0.000 1.835 446 H HN -0.451 nan 8.280 nan 0.000 0.567 447 S N 0.737 116.389 115.700 -0.080 0.000 2.525 447 S HA 0.241 4.711 4.470 -0.001 0.000 0.278 447 S C -1.207 173.284 174.600 -0.181 0.000 1.234 447 S CA -0.669 57.510 58.200 -0.035 0.000 1.058 447 S CB 0.233 63.425 63.200 -0.013 0.000 0.983 447 S HN 0.315 nan 8.310 nan 0.000 0.495 448 W N 1.402 122.697 121.300 -0.008 0.000 2.666 448 W HA 0.365 5.025 4.660 -0.001 0.000 0.334 448 W C 0.058 176.531 176.519 -0.076 0.000 1.051 448 W CA -0.932 56.380 57.345 -0.054 0.000 1.224 448 W CB 0.523 29.912 29.460 -0.117 0.000 1.405 448 W HN 0.558 nan 8.180 nan 0.000 0.513 449 D N 0.651 121.123 120.400 0.120 0.000 2.423 449 D HA 0.166 4.806 4.640 -0.001 0.000 0.238 449 D C 1.647 177.955 176.300 0.013 0.000 1.142 449 D CA 1.004 55.045 54.000 0.068 0.000 0.884 449 D CB 1.238 42.106 40.800 0.113 0.000 1.199 449 D HN 0.552 nan 8.370 nan 0.000 0.438 450 G N 2.818 111.633 108.800 0.024 0.000 2.462 450 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.220 450 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.220 450 G C 1.297 176.182 174.900 -0.024 0.000 1.121 450 G CA 0.408 45.509 45.100 0.002 0.000 0.758 450 G HN 0.477 nan 8.290 nan 0.000 0.559 451 M N 1.000 120.601 119.600 0.001 0.000 2.460 451 M HA 0.099 4.579 4.480 -0.001 0.000 0.263 451 M C 2.733 178.988 176.300 -0.074 0.000 1.071 451 M CA 0.774 56.102 55.300 0.047 0.000 1.096 451 M CB -0.801 31.923 32.600 0.206 0.000 1.408 451 M HN 0.315 nan 8.290 nan 0.000 0.463 452 A N -0.177 122.368 122.820 -0.458 0.000 2.167 452 A HA -0.014 4.305 4.320 -0.001 0.000 0.214 452 A C 1.243 178.637 177.584 -0.317 0.000 1.151 452 A CA 0.298 51.852 52.037 -0.805 0.000 0.735 452 A CB -0.317 18.012 19.000 -1.117 0.000 0.802 452 A HN 0.578 nan 8.150 nan 0.000 0.467 453 R N -1.683 118.706 120.500 -0.185 0.000 3.641 453 R HA -0.181 4.158 4.340 -0.001 0.000 0.286 453 R C 0.666 176.864 176.300 -0.170 0.000 1.153 453 R CA 0.730 56.759 56.100 -0.119 0.000 0.775 453 R CB -2.077 28.187 30.300 -0.061 0.000 1.215 453 R HN 0.470 nan 8.270 nan 0.000 0.474 454 I N 0.515 120.933 120.570 -0.254 0.000 2.163 454 I HA -0.181 3.988 4.170 -0.001 0.000 0.240 454 I C 2.149 178.146 176.117 -0.201 0.000 1.081 454 I CA 1.658 62.758 61.300 -0.333 0.000 1.353 454 I CB -0.685 36.968 38.000 -0.579 0.000 1.054 454 I HN 0.201 nan 8.210 nan 0.000 0.407 455 E N 0.723 120.843 120.200 -0.134 0.000 2.077 455 E HA -0.239 4.110 4.350 -0.001 0.000 0.193 455 E C 2.101 178.657 176.600 -0.074 0.000 0.989 455 E CA 1.272 57.620 56.400 -0.085 0.000 0.800 455 E CB -0.242 29.431 29.700 -0.045 0.000 0.746 455 E HN 0.476 nan 8.360 nan 0.000 0.452 456 E N 0.414 120.574 120.200 -0.067 0.000 2.058 456 E HA -0.260 4.089 4.350 -0.001 0.000 0.194 456 E C 1.921 178.484 176.600 -0.062 0.000 0.997 456 E CA 1.119 57.488 56.400 -0.051 0.000 0.801 456 E CB 0.095 29.770 29.700 -0.041 0.000 0.746 456 E HN -0.028 nan 8.360 nan 0.000 0.450 457 R N 0.247 120.698 120.500 -0.080 0.000 2.092 457 R HA 0.018 4.357 4.340 -0.001 0.000 0.231 457 R C 2.364 178.614 176.300 -0.083 0.000 1.119 457 R CA 0.814 56.868 56.100 -0.076 0.000 0.970 457 R CB -0.437 29.813 30.300 -0.083 0.000 0.864 457 R HN 0.285 nan 8.270 nan 0.000 0.440 458 L N -0.136 121.027 121.223 -0.100 0.000 2.093 458 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 458 L C 2.337 179.149 176.870 -0.097 0.000 1.085 458 L CA 1.361 56.141 54.840 -0.099 0.000 0.755 458 L CB -0.382 41.611 42.059 -0.109 0.000 0.904 458 L HN 0.294 nan 8.230 nan 0.000 0.435 459 E N 0.176 120.323 120.200 -0.088 0.000 2.072 459 E HA -0.296 4.054 4.350 -0.001 0.000 0.191 459 E C 2.205 178.736 176.600 -0.115 0.000 0.985 459 E CA 1.200 57.540 56.400 -0.099 0.000 0.801 459 E CB 0.020 29.683 29.700 -0.062 0.000 0.750 459 E HN 0.422 nan 8.360 nan 0.000 0.452 460 Q N 0.018 119.769 119.800 -0.082 0.000 2.050 460 Q HA -0.208 4.132 4.340 -0.001 0.000 0.202 460 Q C 2.077 178.027 176.000 -0.084 0.000 0.980 460 Q CA 1.643 57.404 55.803 -0.070 0.000 0.840 460 Q CB -0.220 28.490 28.738 -0.046 0.000 0.898 460 Q HN 0.350 nan 8.270 nan 0.000 0.424 461 A N 1.016 123.786 122.820 -0.083 0.000 1.902 461 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 461 A C 2.086 179.606 177.584 -0.107 0.000 1.181 461 A CA 1.389 53.376 52.037 -0.083 0.000 0.623 461 A CB -0.473 18.484 19.000 -0.071 0.000 0.818 461 A HN 0.362 nan 8.150 nan 0.000 0.443 462 R N -0.832 119.586 120.500 -0.137 0.000 2.096 462 R HA -0.064 4.276 4.340 -0.001 0.000 0.235 462 R C 2.415 178.564 176.300 -0.252 0.000 1.127 462 R CA 1.479 57.474 56.100 -0.176 0.000 0.968 462 R CB -0.243 29.941 30.300 -0.194 0.000 0.861 462 R HN 0.482 nan 8.270 nan 0.000 0.440 463 R N 0.221 120.543 120.500 -0.297 0.000 2.090 463 R HA -0.053 4.286 4.340 -0.001 0.000 0.228 463 R C 2.028 178.258 176.300 -0.116 0.000 1.110 463 R CA 0.841 56.698 56.100 -0.405 0.000 0.973 463 R CB 0.067 30.155 30.300 -0.353 0.000 0.869 463 R HN 0.182 nan 8.270 nan 0.000 0.440 464 E N 0.780 120.945 120.200 -0.057 0.000 2.072 464 E HA -0.161 4.188 4.350 -0.001 0.000 0.190 464 E C 1.967 178.591 176.600 0.041 0.000 0.982 464 E CA 0.734 57.143 56.400 0.016 0.000 0.803 464 E CB -0.187 29.511 29.700 -0.004 0.000 0.755 464 E HN 0.144 nan 8.360 nan 0.000 0.453 465 L N 1.266 122.482 121.223 -0.012 0.000 2.056 465 L HA -0.076 4.264 4.340 -0.001 0.000 0.207 465 L C 2.165 179.073 176.870 0.063 0.000 1.078 465 L CA 1.597 56.448 54.840 0.019 0.000 0.749 465 L CB -0.599 41.436 42.059 -0.039 0.000 0.901 465 L HN -0.100 nan 8.230 nan 0.000 0.433 466 S N -0.376 115.326 115.700 0.003 0.000 2.368 466 S HA -0.181 4.288 4.470 -0.001 0.000 0.225 466 S C 1.844 176.578 174.600 0.224 0.000 1.030 466 S CA 1.546 59.783 58.200 0.061 0.000 0.999 466 S CB -0.597 62.538 63.200 -0.109 0.000 0.844 466 S HN 0.473 nan 8.310 nan 0.000 0.459 467 L N 0.717 122.110 121.223 0.285 0.000 2.042 467 L HA -0.027 4.313 4.340 -0.001 0.000 0.210 467 L C 1.869 178.843 176.870 0.173 0.000 1.076 467 L CA 1.655 56.661 54.840 0.277 0.000 0.749 467 L CB -0.636 41.554 42.059 0.219 0.000 0.893 467 L HN 0.280 nan 8.230 nan 0.000 0.432 468 F N -0.193 119.729 119.950 -0.046 0.000 2.451 468 F HA -0.131 4.396 4.527 -0.001 0.000 0.299 468 F C 2.185 177.907 175.800 -0.130 0.000 1.101 468 F CA 0.879 58.743 58.000 -0.227 0.000 1.436 468 F CB -0.239 38.658 39.000 -0.172 0.000 1.074 468 F HN 0.259 nan 8.300 nan 0.000 0.553 469 Q N -0.416 119.345 119.800 -0.066 0.000 2.437 469 Q HA -0.145 4.195 4.340 -0.001 0.000 0.210 469 Q C 0.569 176.512 176.000 -0.094 0.000 0.972 469 Q CA 0.465 56.209 55.803 -0.098 0.000 0.903 469 Q CB -1.334 27.418 28.738 0.023 0.000 0.967 469 Q HN 0.486 nan 8.270 nan 0.000 0.486 470 H N 1.981 120.944 119.070 -0.179 0.000 3.058 470 H HA -0.116 4.439 4.556 -0.001 0.000 0.347 470 H C 1.329 176.512 175.328 -0.241 0.000 1.087 470 H CA 0.753 56.696 56.048 -0.175 0.000 1.375 470 H CB 0.560 30.235 29.762 -0.146 0.000 1.312 470 H HN 0.251 nan 8.280 nan 0.000 0.607 471 H N 1.912 120.550 119.070 -0.721 0.000 2.562 471 H HA -0.002 4.554 4.556 -0.001 0.000 0.272 471 H C -0.368 174.540 175.328 -0.701 0.000 1.019 471 H CA 0.756 56.361 56.048 -0.739 0.000 1.160 471 H CB 0.293 29.613 29.762 -0.736 0.000 1.334 471 H HN 0.606 nan 8.280 nan 0.000 0.611 472 D N 0.328 120.031 120.400 -1.162 0.000 2.513 472 D HA 0.130 4.769 4.640 -0.001 0.000 0.222 472 D C 1.517 177.803 176.300 -0.023 0.000 1.210 472 D CA 0.274 54.143 54.000 -0.217 0.000 0.825 472 D CB 0.906 41.841 40.800 0.224 0.000 1.037 472 D HN 0.522 nan 8.370 nan 0.000 0.506 473 G N 1.333 109.900 108.800 -0.388 0.000 2.600 473 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.225 473 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.225 473 G C 1.331 175.631 174.900 -1.000 0.000 1.623 473 G CA -0.199 44.416 45.100 -0.809 0.000 0.903 473 G HN 0.195 nan 8.290 nan 0.000 0.574 474 I N 2.039 121.737 120.570 -1.453 0.000 2.530 474 I HA -0.168 4.002 4.170 -0.001 0.000 0.257 474 I C 2.838 178.865 176.117 -0.149 0.000 1.179 474 I CA 2.054 62.824 61.300 -0.884 0.000 1.440 474 I CB -0.029 37.618 38.000 -0.587 0.000 1.087 474 I HN 0.369 nan 8.210 nan 0.000 0.440 475 T N -1.742 112.775 114.554 -0.063 0.000 3.007 475 T HA 0.043 4.393 4.350 -0.001 0.000 0.270 475 T C 1.550 176.397 174.700 0.246 0.000 1.107 475 T CA 0.606 62.865 62.100 0.264 0.000 1.118 475 T CB -0.480 68.551 68.868 0.272 0.000 0.889 475 T HN 0.632 nan 8.240 nan 0.000 0.506 476 G N 1.478 110.377 108.800 0.165 0.000 2.176 476 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.252 476 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.252 476 G C 0.560 175.529 174.900 0.114 0.000 1.024 476 G CA 0.641 45.856 45.100 0.192 0.000 0.755 476 G HN 1.134 nan 8.290 nan 0.000 0.507 477 T N -3.356 111.259 114.554 0.101 0.000 3.215 477 T HA 0.738 5.087 4.350 -0.001 0.000 0.271 477 T C 0.872 175.754 174.700 0.303 0.000 1.012 477 T CA 1.031 63.116 62.100 -0.025 0.000 0.899 477 T CB 0.975 69.635 68.868 -0.345 0.000 1.089 477 T HN 1.560 nan 8.240 nan 0.000 0.552 478 A N 1.278 124.295 122.820 0.329 0.000 2.269 478 A HA 0.690 5.009 4.320 -0.001 0.000 0.327 478 A C 0.187 177.857 177.584 0.143 0.000 1.112 478 A CA -0.956 51.302 52.037 0.368 0.000 0.865 478 A CB 0.869 20.128 19.000 0.432 0.000 1.227 478 A HN 0.392 nan 8.150 nan 0.000 0.498 479 K N -0.164 120.245 120.400 0.015 0.000 2.336 479 K HA 0.137 4.457 4.320 -0.001 0.000 0.262 479 K C 1.081 177.681 176.600 0.001 0.000 0.992 479 K CA 0.385 56.666 56.287 -0.011 0.000 0.927 479 K CB 0.349 32.834 32.500 -0.025 0.000 0.956 479 K HN 0.739 nan 8.250 nan 0.000 0.495 480 T N 1.365 115.950 114.554 0.051 0.000 2.653 480 T HA -0.208 4.142 4.350 -0.001 0.000 0.268 480 T C 1.668 176.394 174.700 0.043 0.000 1.035 480 T CA 1.864 63.997 62.100 0.055 0.000 1.154 480 T CB -0.423 68.488 68.868 0.072 0.000 0.862 480 T HN 0.692 nan 8.240 nan 0.000 0.441 481 H N 0.597 119.655 119.070 -0.020 0.000 2.491 481 H HA 0.102 4.658 4.556 -0.001 0.000 0.290 481 H C 2.006 177.302 175.328 -0.055 0.000 1.050 481 H CA 0.820 56.850 56.048 -0.031 0.000 1.309 481 H CB -0.786 28.954 29.762 -0.037 0.000 1.392 481 H HN 0.279 nan 8.280 nan 0.000 0.554 482 V N 1.114 120.662 119.914 -0.609 0.000 2.488 482 V HA -0.161 3.959 4.120 -0.001 0.000 0.246 482 V C 3.006 178.904 176.094 -0.327 0.000 1.046 482 V CA 1.074 63.050 62.300 -0.540 0.000 1.053 482 V CB -0.414 31.149 31.823 -0.432 0.000 0.679 482 V HN 0.237 nan 8.190 nan 0.000 0.458 483 V N -0.012 119.845 119.914 -0.094 0.000 2.392 483 V HA -0.229 3.890 4.120 -0.001 0.000 0.249 483 V C 2.454 178.517 176.094 -0.051 0.000 1.059 483 V CA 1.883 64.187 62.300 0.007 0.000 1.051 483 V CB -0.470 31.313 31.823 -0.066 0.000 0.658 483 V HN 0.417 nan 8.190 nan 0.000 0.455 484 V N 0.373 120.264 119.914 -0.039 0.000 2.343 484 V HA -0.299 3.821 4.120 -0.001 0.000 0.247 484 V C 2.304 178.406 176.094 0.012 0.000 1.051 484 V CA 2.419 64.729 62.300 0.016 0.000 1.036 484 V CB -0.678 31.166 31.823 0.036 0.000 0.654 484 V HN 0.639 nan 8.190 nan 0.000 0.451 485 D N -0.984 119.380 120.400 -0.061 0.000 2.104 485 D HA -0.211 4.428 4.640 -0.001 0.000 0.194 485 D C 2.001 178.306 176.300 0.008 0.000 0.994 485 D CA 1.570 55.532 54.000 -0.064 0.000 0.830 485 D CB -0.169 40.532 40.800 -0.165 0.000 0.959 485 D HN 0.493 nan 8.370 nan 0.000 0.452 486 Y N 0.956 121.288 120.300 0.054 0.000 2.181 486 Y HA -0.064 4.485 4.550 -0.001 0.000 0.288 486 Y C 2.444 178.312 175.900 -0.053 0.000 1.146 486 Y CA 1.280 59.409 58.100 0.048 0.000 1.164 486 Y CB -0.774 37.786 38.460 0.166 0.000 0.982 486 Y HN 0.149 nan 8.280 nan 0.000 0.515 487 E N 0.111 120.405 120.200 0.156 0.000 2.051 487 E HA -0.261 4.089 4.350 -0.001 0.000 0.192 487 E C 2.008 178.677 176.600 0.114 0.000 0.991 487 E CA 1.479 57.984 56.400 0.176 0.000 0.799 487 E CB -0.052 29.836 29.700 0.314 0.000 0.748 487 E HN 0.577 nan 8.360 nan 0.000 0.449 488 Q N -0.095 119.761 119.800 0.094 0.000 2.084 488 Q HA -0.156 4.183 4.340 -0.001 0.000 0.202 488 Q C 2.341 178.370 176.000 0.049 0.000 0.978 488 Q CA 1.351 57.194 55.803 0.066 0.000 0.844 488 Q CB -0.080 28.689 28.738 0.053 0.000 0.898 488 Q HN 0.193 nan 8.270 nan 0.000 0.426 489 R N 0.065 120.599 120.500 0.057 0.000 2.081 489 R HA -0.060 4.280 4.340 -0.001 0.000 0.235 489 R C 2.271 178.576 176.300 0.008 0.000 1.131 489 R CA 1.414 57.540 56.100 0.043 0.000 0.960 489 R CB -0.145 30.206 30.300 0.085 0.000 0.856 489 R HN 0.294 nan 8.270 nan 0.000 0.436 490 M N -0.077 119.512 119.600 -0.018 0.000 2.229 490 M HA -0.162 4.318 4.480 -0.001 0.000 0.264 490 M C 2.292 178.552 176.300 -0.067 0.000 1.063 490 M CA 1.336 56.584 55.300 -0.086 0.000 1.114 490 M CB -0.119 32.364 32.600 -0.195 0.000 1.387 490 M HN 0.039 nan 8.290 nan 0.000 0.420 491 Q N 0.949 120.745 119.800 -0.006 0.000 2.084 491 Q HA -0.170 4.169 4.340 -0.001 0.000 0.202 491 Q C 1.737 177.733 176.000 -0.006 0.000 0.978 491 Q CA 1.611 57.423 55.803 0.014 0.000 0.844 491 Q CB -0.059 28.715 28.738 0.059 0.000 0.898 491 Q HN 0.322 nan 8.270 nan 0.000 0.426 492 E N -0.200 119.998 120.200 -0.003 0.000 2.106 492 E HA -0.115 4.234 4.350 -0.001 0.000 0.192 492 E C 1.826 178.412 176.600 -0.023 0.000 0.984 492 E CA 1.142 57.538 56.400 -0.007 0.000 0.806 492 E CB -0.453 29.247 29.700 0.000 0.000 0.750 492 E HN 0.467 nan 8.360 nan 0.000 0.458 493 A N 1.098 123.894 122.820 -0.040 0.000 1.933 493 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 493 A C 2.390 179.935 177.584 -0.065 0.000 1.175 493 A CA 1.004 53.007 52.037 -0.056 0.000 0.628 493 A CB -0.680 18.276 19.000 -0.073 0.000 0.814 493 A HN 0.185 nan 8.150 nan 0.000 0.444 494 L N -0.691 120.470 121.223 -0.102 0.000 2.046 494 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 494 L C 2.576 179.431 176.870 -0.024 0.000 1.077 494 L CA 1.721 56.476 54.840 -0.142 0.000 0.747 494 L CB -0.395 41.517 42.059 -0.245 0.000 0.896 494 L HN 0.362 nan 8.230 nan 0.000 0.432 495 K N -0.132 120.261 120.400 -0.011 0.000 2.097 495 K HA -0.123 4.197 4.320 -0.001 0.000 0.205 495 K C 2.228 178.839 176.600 0.018 0.000 1.050 495 K CA 1.247 57.543 56.287 0.016 0.000 0.938 495 K CB -0.228 32.276 32.500 0.007 0.000 0.718 495 K HN 0.285 nan 8.250 nan 0.000 0.442 496 A N 1.084 123.904 122.820 -0.000 0.000 1.902 496 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 496 A C 2.410 179.994 177.584 0.000 0.000 1.181 496 A CA 1.410 53.440 52.037 -0.011 0.000 0.623 496 A CB -0.945 18.037 19.000 -0.030 0.000 0.818 496 A HN 0.394 nan 8.150 nan 0.000 0.443 497 C N -1.005 118.312 119.300 0.028 0.000 2.429 497 C HA -0.116 4.344 4.460 -0.001 0.000 0.277 497 C C 2.869 177.923 174.990 0.106 0.000 1.262 497 C CA 1.266 60.323 59.018 0.066 0.000 1.733 497 C CB -1.239 26.591 27.740 0.150 0.000 2.010 497 C HN 0.792 nan 8.230 nan 0.000 0.483 498 Q N 0.242 120.133 119.800 0.152 0.000 2.096 498 Q HA -0.275 4.065 4.340 -0.001 0.000 0.204 498 Q C 2.158 178.235 176.000 0.128 0.000 0.982 498 Q CA 1.986 57.887 55.803 0.163 0.000 0.850 498 Q CB -0.266 28.566 28.738 0.155 0.000 0.901 498 Q HN 0.585 nan 8.270 nan 0.000 0.422 499 M N -0.156 119.487 119.600 0.072 0.000 2.086 499 M HA -0.125 4.355 4.480 -0.001 0.000 0.261 499 M C 1.824 178.142 176.300 0.030 0.000 1.067 499 M CA 1.504 56.836 55.300 0.052 0.000 1.116 499 M CB -0.412 32.197 32.600 0.016 0.000 1.348 499 M HN 0.128 nan 8.290 nan 0.000 0.407 500 V N 0.204 120.099 119.914 -0.031 0.000 2.307 500 V HA -0.295 3.824 4.120 -0.001 0.000 0.245 500 V C 2.425 178.479 176.094 -0.067 0.000 1.045 500 V CA 2.170 64.393 62.300 -0.129 0.000 1.024 500 V CB -0.696 31.026 31.823 -0.169 0.000 0.651 500 V HN 0.548 nan 8.190 nan 0.000 0.449 501 M N 0.303 119.922 119.600 0.031 0.000 2.080 501 M HA -0.277 4.203 4.480 -0.001 0.000 0.260 501 M C 2.374 178.728 176.300 0.089 0.000 1.068 501 M CA 2.496 57.851 55.300 0.092 0.000 1.109 501 M CB -0.482 32.274 32.600 0.260 0.000 1.342 501 M HN 0.550 nan 8.290 nan 0.000 0.405 502 Q N -0.340 119.595 119.800 0.226 0.000 2.172 502 Q HA -0.113 4.226 4.340 -0.001 0.000 0.200 502 Q C 1.800 177.985 176.000 0.308 0.000 0.964 502 Q CA 1.095 57.058 55.803 0.267 0.000 0.855 502 Q CB -0.609 28.387 28.738 0.431 0.000 0.918 502 Q HN 0.414 nan 8.270 nan 0.000 0.444 503 Q N 0.597 120.562 119.800 0.275 0.000 2.124 503 Q HA -0.053 4.286 4.340 -0.001 0.000 0.202 503 Q C 2.244 178.487 176.000 0.404 0.000 0.977 503 Q CA 1.685 57.727 55.803 0.398 0.000 0.850 503 Q CB -0.192 28.695 28.738 0.248 0.000 0.901 503 Q HN 0.511 nan 8.270 nan 0.000 0.429 504 S N 0.380 116.203 115.700 0.205 0.000 2.368 504 S HA -0.085 4.384 4.470 -0.001 0.000 0.224 504 S C 2.214 176.847 174.600 0.056 0.000 1.029 504 S CA 1.014 59.377 58.200 0.272 0.000 0.988 504 S CB -0.216 63.075 63.200 0.152 0.000 0.838 504 S HN 0.126 nan 8.310 nan 0.000 0.462 505 V N 0.863 120.681 119.914 -0.161 0.000 2.343 505 V HA -0.188 3.932 4.120 -0.001 0.000 0.247 505 V C 2.024 178.081 176.094 -0.061 0.000 1.051 505 V CA 1.821 63.893 62.300 -0.380 0.000 1.036 505 V CB -0.759 30.417 31.823 -1.079 0.000 0.654 505 V HN 0.541 nan 8.190 nan 0.000 0.451 506 Y N 1.300 121.647 120.300 0.078 0.000 2.165 506 Y HA -0.246 4.303 4.550 -0.001 0.000 0.286 506 Y C 2.728 178.711 175.900 0.139 0.000 1.155 506 Y CA 2.203 60.445 58.100 0.237 0.000 1.164 506 Y CB -0.370 38.143 38.460 0.088 0.000 0.978 506 Y HN 0.105 nan 8.280 nan 0.000 0.513 507 R N -0.224 120.179 120.500 -0.162 0.000 2.090 507 R HA -0.079 4.260 4.340 -0.001 0.000 0.228 507 R C 2.127 178.107 176.300 -0.533 0.000 1.110 507 R CA 1.436 57.089 56.100 -0.745 0.000 0.973 507 R CB -0.336 29.527 30.300 -0.728 0.000 0.869 507 R HN 0.442 nan 8.270 nan 0.000 0.440 508 L N 0.263 121.316 121.223 -0.284 0.000 2.291 508 L HA -0.048 4.291 4.340 -0.001 0.000 0.214 508 L C 1.400 178.150 176.870 -0.201 0.000 1.120 508 L CA 0.748 55.389 54.840 -0.331 0.000 0.799 508 L CB 0.141 41.843 42.059 -0.595 0.000 0.925 508 L HN 0.227 nan 8.230 nan 0.000 0.446 509 L N -1.280 119.920 121.223 -0.039 0.000 3.014 509 L HA 0.226 4.565 4.340 -0.001 0.000 0.263 509 L C -0.203 176.736 176.870 0.114 0.000 1.207 509 L CA -0.079 54.830 54.840 0.114 0.000 1.017 509 L CB 0.520 42.799 42.059 0.368 0.000 1.360 509 L HN -0.003 nan 8.230 nan 0.000 0.560 510 T N 0.124 114.667 114.554 -0.017 0.000 2.841 510 T HA 0.191 4.541 4.350 -0.001 0.000 0.283 510 T C -0.168 174.466 174.700 -0.110 0.000 1.000 510 T CA -0.560 61.521 62.100 -0.030 0.000 0.977 510 T CB 2.470 71.304 68.868 -0.057 0.000 0.979 510 T HN 0.020 nan 8.240 nan 0.000 0.446 511 K N 3.627 123.973 120.400 -0.090 0.000 2.530 511 K HA -0.013 4.307 4.320 -0.001 0.000 0.280 511 K C -1.723 174.847 176.600 -0.051 0.000 1.004 511 K CA -1.000 55.243 56.287 -0.073 0.000 1.071 511 K CB 0.435 32.897 32.500 -0.062 0.000 0.876 511 K HN 0.164 nan 8.250 nan 0.000 0.487 512 P HA -0.180 nan 4.420 nan 0.000 0.216 512 P C 0.725 178.037 177.300 0.019 0.000 1.150 512 P CA 1.453 64.528 63.100 -0.042 0.000 0.837 512 P CB 0.152 31.820 31.700 -0.053 0.000 0.786 513 S N -2.238 113.465 115.700 0.006 0.000 2.607 513 S HA 0.074 4.544 4.470 -0.001 0.000 0.224 513 S C 1.615 176.229 174.600 0.023 0.000 0.969 513 S CA 0.454 58.662 58.200 0.014 0.000 0.927 513 S CB -1.066 62.134 63.200 0.001 0.000 0.772 513 S HN 0.108 nan 8.310 nan 0.000 0.533 514 I N -0.835 119.757 120.570 0.036 0.000 3.790 514 I HA 0.218 4.388 4.170 -0.001 0.000 0.305 514 I C 0.480 176.647 176.117 0.084 0.000 1.253 514 I CA -0.439 60.890 61.300 0.048 0.000 1.355 514 I CB 0.011 38.035 38.000 0.040 0.000 1.137 514 I HN 0.252 nan 8.210 nan 0.000 0.435 515 Y N 2.846 123.100 120.300 -0.076 0.000 2.865 515 Y HA -0.058 4.492 4.550 -0.001 0.000 0.338 515 Y C 0.432 176.311 175.900 -0.035 0.000 1.269 515 Y CA 0.129 58.142 58.100 -0.145 0.000 1.585 515 Y CB 0.381 38.688 38.460 -0.256 0.000 1.224 515 Y HN -0.115 nan 8.280 nan 0.000 0.554 516 S N 8.849 124.350 115.700 -0.332 0.000 2.293 516 S HA 0.350 4.820 4.470 -0.001 0.000 0.154 516 S C -2.851 171.577 174.600 -0.287 0.000 1.602 516 S CA -1.187 56.834 58.200 -0.297 0.000 1.260 516 S CB -0.003 63.145 63.200 -0.087 0.000 1.270 516 S HN 0.659 nan 8.310 nan 0.000 0.416 517 P HA 0.345 nan 4.420 nan 0.000 0.279 517 P C -1.208 175.849 177.300 -0.405 0.000 1.239 517 P CA -0.199 62.684 63.100 -0.362 0.000 0.789 517 P CB 0.916 32.316 31.700 -0.500 0.000 0.933 518 D N 2.237 122.586 120.400 -0.084 0.000 2.414 518 D HA 0.160 4.799 4.640 -0.001 0.000 0.232 518 D C 0.207 176.547 176.300 0.066 0.000 1.070 518 D CA -0.724 53.208 54.000 -0.114 0.000 0.839 518 D CB 0.260 41.031 40.800 -0.048 0.000 1.079 518 D HN 0.041 nan 8.370 nan 0.000 0.521 519 F N 1.701 121.777 119.950 0.210 0.000 2.722 519 F HA -0.039 4.487 4.527 -0.001 0.000 0.298 519 F C 2.348 178.233 175.800 0.142 0.000 1.175 519 F CA 0.542 58.666 58.000 0.207 0.000 1.462 519 F CB -0.411 38.691 39.000 0.169 0.000 1.111 519 F HN 0.367 nan 8.300 nan 0.000 0.592 520 S N -1.874 113.977 115.700 0.250 0.000 2.539 520 S HA 0.133 4.603 4.470 -0.001 0.000 0.221 520 S C 0.281 174.930 174.600 0.082 0.000 0.987 520 S CA -0.431 57.856 58.200 0.145 0.000 0.929 520 S CB -0.619 62.644 63.200 0.106 0.000 0.832 520 S HN 0.093 nan 8.310 nan 0.000 0.492 521 F N 2.854 122.748 119.950 -0.094 0.000 2.371 521 F HA 0.615 5.142 4.527 -0.001 0.000 0.329 521 F C -0.013 175.570 175.800 -0.361 0.000 1.107 521 F CA -0.766 57.044 58.000 -0.315 0.000 1.137 521 F CB 1.567 40.215 39.000 -0.587 0.000 1.214 521 F HN -0.053 nan 8.300 nan 0.000 0.536 522 S N 5.618 120.431 115.700 -1.478 0.000 2.464 522 S HA 0.173 4.642 4.470 -0.001 0.000 0.313 522 S C 0.270 174.068 174.600 -1.336 0.000 1.078 522 S CA -0.328 57.272 58.200 -1.001 0.000 1.096 522 S CB -0.162 62.633 63.200 -0.675 0.000 1.032 522 S HN 0.651 nan 8.310 nan 0.000 0.498 523 Y N 1.685 121.654 120.300 -0.551 0.000 2.337 523 Y HA 0.216 4.765 4.550 -0.001 0.000 0.293 523 Y C 0.294 175.619 175.900 -0.958 0.000 1.123 523 Y CA 0.633 58.358 58.100 -0.626 0.000 1.201 523 Y CB 0.173 38.375 38.460 -0.430 0.000 1.011 523 Y HN 0.497 nan 8.280 nan 0.000 0.545 524 F N -1.304 118.588 119.950 -0.097 0.000 2.588 524 F HA 0.452 4.978 4.527 -0.001 0.000 0.310 524 F C -0.103 175.721 175.800 0.040 0.000 1.082 524 F CA -1.578 56.431 58.000 0.016 0.000 0.929 524 F CB 1.561 40.719 39.000 0.265 0.000 1.254 524 F HN -0.395 nan 8.300 nan 0.000 0.455 525 T N 0.225 114.920 114.554 0.235 0.000 2.888 525 T HA 0.734 5.084 4.350 -0.001 0.000 0.284 525 T C -0.559 174.249 174.700 0.180 0.000 1.017 525 T CA -0.821 61.370 62.100 0.152 0.000 1.022 525 T CB 1.306 70.207 68.868 0.055 0.000 1.013 525 T HN 0.515 nan 8.240 nan 0.000 0.465 526 L N 1.791 123.056 121.223 0.069 0.000 2.417 526 L HA 0.460 4.799 4.340 -0.001 0.000 0.268 526 L C 0.068 176.930 176.870 -0.015 0.000 1.158 526 L CA -0.328 54.455 54.840 -0.096 0.000 0.819 526 L CB 0.804 42.791 42.059 -0.120 0.000 1.112 526 L HN 0.820 nan 8.230 nan 0.000 0.458 527 D N 1.167 121.534 120.400 -0.056 0.000 2.492 527 D HA 0.242 4.882 4.640 -0.001 0.000 0.248 527 D C -1.376 174.851 176.300 -0.121 0.000 1.101 527 D CA -0.397 53.571 54.000 -0.054 0.000 0.840 527 D CB 1.240 42.038 40.800 -0.003 0.000 1.209 527 D HN 0.287 nan 8.370 nan 0.000 0.524 528 D N 2.336 122.687 120.400 -0.083 0.000 2.593 528 D HA 0.204 4.844 4.640 -0.001 0.000 0.251 528 D C 0.004 176.245 176.300 -0.098 0.000 1.140 528 D CA -0.480 53.494 54.000 -0.043 0.000 0.855 528 D CB 2.000 42.881 40.800 0.135 0.000 1.267 528 D HN 0.262 nan 8.370 nan 0.000 0.532 529 S N 2.627 118.244 115.700 -0.138 0.000 2.489 529 S HA 0.042 4.511 4.470 -0.001 0.000 0.228 529 S C 1.341 175.896 174.600 -0.074 0.000 0.995 529 S CA 0.443 58.555 58.200 -0.147 0.000 0.934 529 S CB 0.389 63.494 63.200 -0.159 0.000 0.771 529 S HN 0.484 nan 8.310 nan 0.000 0.522 530 R N -0.369 120.120 120.500 -0.018 0.000 2.535 530 R HA 0.227 4.567 4.340 -0.001 0.000 0.323 530 R C -0.712 175.654 176.300 0.110 0.000 0.979 530 R CA -0.108 56.005 56.100 0.023 0.000 1.120 530 R CB 0.746 31.060 30.300 0.023 0.000 1.306 530 R HN 0.341 nan 8.270 nan 0.000 0.540 531 W N 1.283 122.533 121.300 -0.083 0.000 3.405 531 W HA 0.286 4.945 4.660 -0.001 0.000 0.329 531 W C -2.953 173.516 176.519 -0.084 0.000 1.142 531 W CA -1.937 55.345 57.345 -0.105 0.000 1.235 531 W CB 1.775 31.160 29.460 -0.126 0.000 1.341 531 W HN -0.188 nan 8.180 nan 0.000 0.481 532 P HA 0.096 nan 4.420 nan 0.000 0.226 532 P C 0.394 177.293 177.300 -0.668 0.000 1.153 532 P CA 1.812 64.009 63.100 -1.503 0.000 0.777 532 P CB 0.301 31.401 31.700 -1.001 0.000 0.794 533 G N -0.984 107.607 108.800 -0.349 0.000 2.629 533 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.686 533 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.686 533 G C -0.407 174.421 174.900 -0.120 0.000 1.232 533 G CA -0.481 44.513 45.100 -0.176 0.000 0.803 533 G HN 0.108 nan 8.290 nan 0.000 0.638 534 S N 0.190 115.863 115.700 -0.045 0.000 2.546 534 S HA 0.512 4.982 4.470 -0.001 0.000 0.290 534 S C 1.871 176.464 174.600 -0.011 0.000 1.290 534 S CA 2.017 60.226 58.200 0.015 0.000 1.069 534 S CB 0.210 63.459 63.200 0.081 0.000 0.846 534 S HN 2.721 nan 8.310 nan 0.000 0.495 535 G N 2.810 111.604 108.800 -0.011 0.000 2.199 535 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.254 535 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.254 535 G C 0.598 175.462 174.900 -0.059 0.000 0.982 535 G CA 0.364 45.444 45.100 -0.033 0.000 0.632 535 G HN 0.888 nan 8.290 nan 0.000 0.529 536 V N -0.590 119.271 119.914 -0.087 0.000 2.806 536 V HA 0.370 4.490 4.120 -0.001 0.000 0.239 536 V C 0.815 176.841 176.094 -0.114 0.000 1.113 536 V CA 1.589 63.821 62.300 -0.114 0.000 1.137 536 V CB 0.481 32.198 31.823 -0.176 0.000 0.865 536 V HN 0.374 nan 8.190 nan 0.000 0.482 537 E N 0.169 120.293 120.200 -0.125 0.000 2.343 537 E HA 0.258 4.608 4.350 -0.001 0.000 0.278 537 E C -1.587 174.975 176.600 -0.063 0.000 0.910 537 E CA -0.426 55.913 56.400 -0.100 0.000 0.757 537 E CB 2.284 31.898 29.700 -0.143 0.000 1.218 537 E HN 0.127 nan 8.360 nan 0.000 0.435 538 D N 1.753 122.138 120.400 -0.026 0.000 2.468 538 D HA 0.101 4.741 4.640 -0.001 0.000 0.218 538 D C 0.426 176.725 176.300 -0.001 0.000 1.155 538 D CA 0.084 54.091 54.000 0.012 0.000 0.924 538 D CB 0.460 41.278 40.800 0.029 0.000 1.029 538 D HN 0.373 nan 8.370 nan 0.000 0.515 539 S N 2.678 118.365 115.700 -0.021 0.000 2.520 539 S HA 0.187 4.657 4.470 -0.001 0.000 0.219 539 S C 0.933 175.522 174.600 -0.019 0.000 1.028 539 S CA -0.450 57.733 58.200 -0.028 0.000 0.921 539 S CB 0.619 63.781 63.200 -0.064 0.000 0.844 539 S HN 0.250 nan 8.310 nan 0.000 0.495 540 R N 2.801 123.284 120.500 -0.029 0.000 2.490 540 R HA 0.388 4.727 4.340 -0.001 0.000 0.280 540 R C 0.035 176.353 176.300 0.028 0.000 1.077 540 R CA 0.273 56.333 56.100 -0.066 0.000 1.065 540 R CB 0.697 30.825 30.300 -0.287 0.000 1.003 540 R HN 0.475 nan 8.270 nan 0.000 0.470 541 T N -0.776 113.801 114.554 0.039 0.000 2.882 541 T HA 0.206 4.556 4.350 -0.001 0.000 0.287 541 T C 0.240 175.036 174.700 0.160 0.000 0.992 541 T CA -0.735 61.420 62.100 0.091 0.000 1.076 541 T CB 1.473 70.386 68.868 0.075 0.000 0.961 541 T HN 0.333 nan 8.240 nan 0.000 0.490 542 T N 3.964 118.629 114.554 0.184 0.000 2.817 542 T HA 0.372 4.722 4.350 -0.001 0.000 0.293 542 T C 0.510 175.317 174.700 0.178 0.000 0.964 542 T CA -0.494 61.742 62.100 0.227 0.000 1.085 542 T CB 0.166 69.134 68.868 0.166 0.000 0.921 542 T HN 0.580 nan 8.240 nan 0.000 0.502 543 I N 4.142 124.836 120.570 0.207 0.000 2.436 543 I HA 0.184 4.354 4.170 -0.001 0.000 0.289 543 I C 0.184 176.389 176.117 0.146 0.000 1.083 543 I CA -0.055 61.345 61.300 0.168 0.000 1.372 543 I CB 0.253 38.357 38.000 0.173 0.000 1.408 543 I HN 0.461 nan 8.210 nan 0.000 0.516 544 I N 8.112 128.753 120.570 0.119 0.000 2.301 544 I HA 0.299 4.468 4.170 -0.001 0.000 0.292 544 I C -0.170 176.010 176.117 0.105 0.000 1.046 544 I CA -0.122 61.240 61.300 0.104 0.000 1.282 544 I CB 0.406 38.455 38.000 0.082 0.000 1.409 544 I HN 0.377 nan 8.210 nan 0.000 0.484 545 L N 5.828 127.117 121.223 0.110 0.000 2.341 545 L HA 0.955 5.294 4.340 -0.001 0.000 0.267 545 L C 0.126 177.055 176.870 0.099 0.000 1.009 545 L CA -0.687 54.217 54.840 0.107 0.000 0.819 545 L CB 2.205 44.333 42.059 0.116 0.000 1.323 545 L HN 0.695 nan 8.230 nan 0.000 0.425 546 G N 0.032 108.886 108.800 0.090 0.000 2.596 546 G HA2 0.142 4.102 3.960 -0.001 0.000 0.296 546 G HA3 0.142 4.102 3.960 -0.001 0.000 0.296 546 G C -0.193 174.750 174.900 0.072 0.000 1.513 546 G CA -0.432 44.718 45.100 0.083 0.000 0.851 546 G HN 0.713 nan 8.290 nan 0.000 0.548 547 E N 0.025 120.265 120.200 0.067 0.000 2.209 547 E HA -0.141 4.209 4.350 -0.001 0.000 0.196 547 E C 0.649 177.277 176.600 0.047 0.000 0.993 547 E CA 1.514 57.947 56.400 0.054 0.000 0.819 547 E CB 0.165 29.893 29.700 0.046 0.000 0.745 547 E HN 0.425 nan 8.360 nan 0.000 0.477 548 D N -0.575 119.853 120.400 0.047 0.000 2.424 548 D HA 0.107 4.746 4.640 -0.001 0.000 0.220 548 D C 0.774 177.100 176.300 0.043 0.000 1.150 548 D CA 0.081 54.105 54.000 0.041 0.000 0.831 548 D CB 0.949 41.770 40.800 0.036 0.000 0.981 548 D HN 0.255 nan 8.370 nan 0.000 0.500 549 I N -0.718 119.882 120.570 0.051 0.000 4.420 549 I HA 0.171 4.341 4.170 -0.001 0.000 0.292 549 I C -1.475 174.680 176.117 0.063 0.000 1.153 549 I CA 0.150 61.482 61.300 0.053 0.000 1.315 549 I CB 1.299 39.331 38.000 0.054 0.000 1.616 549 I HN -0.147 nan 8.210 nan 0.000 0.450 550 L N 1.778 123.045 121.223 0.072 0.000 2.795 550 L HA 0.487 4.827 4.340 -0.001 0.000 0.260 550 L C -2.473 174.451 176.870 0.090 0.000 0.935 550 L CA -0.766 54.125 54.840 0.085 0.000 0.985 550 L CB 1.760 43.877 42.059 0.096 0.000 1.433 550 L HN -0.147 nan 8.230 nan 0.000 0.447 551 P HA 0.068 nan 4.420 nan 0.000 0.224 551 P C -0.184 177.172 177.300 0.093 0.000 1.157 551 P CA 0.804 63.954 63.100 0.084 0.000 0.799 551 P CB 0.424 32.166 31.700 0.070 0.000 0.809 552 S N -2.076 113.691 115.700 0.112 0.000 2.625 552 S HA 0.722 5.191 4.470 -0.001 0.000 0.271 552 S C -1.279 173.427 174.600 0.177 0.000 1.161 552 S CA -0.730 57.542 58.200 0.120 0.000 0.820 552 S CB 2.462 65.721 63.200 0.099 0.000 1.137 552 S HN -0.109 nan 8.310 nan 0.000 0.470 553 K N 0.571 121.080 120.400 0.182 0.000 2.535 553 K HA 0.556 4.875 4.320 -0.001 0.000 0.251 553 K C -2.007 174.763 176.600 0.283 0.000 0.942 553 K CA -0.217 56.229 56.287 0.266 0.000 0.798 553 K CB 0.850 33.464 32.500 0.189 0.000 1.267 553 K HN 0.845 nan 8.250 nan 0.000 0.434 554 H N 0.828 120.059 119.070 0.268 0.000 2.582 554 H HA 0.456 5.011 4.556 -0.001 0.000 0.345 554 H C -0.125 175.437 175.328 0.390 0.000 1.104 554 H CA -0.096 56.157 56.048 0.342 0.000 1.390 554 H CB 1.008 31.076 29.762 0.510 0.000 1.461 554 H HN 0.396 nan 8.280 nan 0.000 0.551 555 V N 0.750 120.926 119.914 0.437 0.000 2.914 555 V HA 0.786 4.906 4.120 -0.001 0.000 0.314 555 V C -0.713 175.713 176.094 0.552 0.000 1.084 555 V CA -0.867 61.674 62.300 0.402 0.000 0.963 555 V CB 2.090 33.880 31.823 -0.055 0.000 1.025 555 V HN 0.471 nan 8.190 nan 0.000 0.432 556 V N 3.821 124.079 119.914 0.573 0.000 2.760 556 V HA 0.638 4.757 4.120 -0.001 0.000 0.309 556 V C -0.530 175.903 176.094 0.564 0.000 1.077 556 V CA -0.372 62.228 62.300 0.500 0.000 0.910 556 V CB 1.935 33.899 31.823 0.235 0.000 1.008 556 V HN 0.948 nan 8.190 nan 0.000 0.424 557 M N 4.015 123.918 119.600 0.506 0.000 2.404 557 M HA 0.497 4.976 4.480 -0.001 0.000 0.338 557 M C -0.520 176.030 176.300 0.417 0.000 1.150 557 M CA -0.267 55.301 55.300 0.446 0.000 1.016 557 M CB 1.232 34.039 32.600 0.347 0.000 1.672 557 M HN 0.756 nan 8.290 nan 0.000 0.448 558 H N 1.949 121.211 119.070 0.320 0.000 2.469 558 H HA 0.487 5.042 4.556 -0.001 0.000 0.342 558 H C -1.350 174.083 175.328 0.174 0.000 1.115 558 H CA -0.593 55.607 56.048 0.252 0.000 1.204 558 H CB 1.195 31.165 29.762 0.347 0.000 1.492 558 H HN 0.661 nan 8.280 nan 0.000 0.499 559 N N 3.132 121.588 118.700 -0.407 0.000 2.564 559 N HA 0.037 4.776 4.740 -0.001 0.000 0.248 559 N C 0.301 175.463 175.510 -0.579 0.000 0.986 559 N CA -0.312 52.509 53.050 -0.382 0.000 0.921 559 N CB 1.585 39.956 38.487 -0.193 0.000 1.136 559 N HN 0.626 nan 8.380 nan 0.000 0.509 560 T N 2.921 117.179 114.554 -0.494 0.000 3.072 560 T HA 0.162 4.511 4.350 -0.001 0.000 0.266 560 T C 0.689 175.343 174.700 -0.076 0.000 1.127 560 T CA 0.472 62.455 62.100 -0.195 0.000 1.107 560 T CB -0.244 68.648 68.868 0.041 0.000 0.910 560 T HN 0.419 nan 8.240 nan 0.000 0.513 561 L N 2.737 123.863 121.223 -0.162 0.000 2.417 561 L HA 0.312 4.651 4.340 -0.001 0.000 0.268 561 L C -1.570 175.155 176.870 -0.241 0.000 1.158 561 L CA -1.909 52.805 54.840 -0.210 0.000 0.819 561 L CB 0.649 42.445 42.059 -0.438 0.000 1.112 561 L HN -0.045 nan 8.230 nan 0.000 0.458 562 P HA 0.047 nan 4.420 nan 0.000 0.243 562 P C -0.939 176.378 177.300 0.028 0.000 1.668 562 P CA 0.336 63.422 63.100 -0.023 0.000 0.898 562 P CB -0.330 31.412 31.700 0.071 0.000 1.637 563 H N -3.246 115.832 119.070 0.013 0.000 3.012 563 H HA 0.245 4.800 4.556 -0.001 0.000 0.367 563 H C -1.033 174.304 175.328 0.015 0.000 1.211 563 H CA -1.082 54.991 56.048 0.041 0.000 1.139 563 H CB 0.005 29.819 29.762 0.087 0.000 1.838 563 H HN -0.130 nan 8.280 nan 0.000 0.550 564 W N 1.725 123.128 121.300 0.172 0.000 2.257 564 W HA 0.230 4.889 4.660 -0.001 0.000 0.337 564 W C 0.882 177.502 176.519 0.168 0.000 1.321 564 W CA 0.462 57.875 57.345 0.113 0.000 1.267 564 W CB 0.456 29.969 29.460 0.089 0.000 1.187 564 W HN 0.511 nan 8.180 nan 0.000 0.565 565 R N 2.264 122.955 120.500 0.319 0.000 2.604 565 R HA 0.309 4.648 4.340 -0.001 0.000 0.281 565 R C -1.070 175.358 176.300 0.214 0.000 1.020 565 R CA -0.671 55.576 56.100 0.245 0.000 0.899 565 R CB 1.447 31.814 30.300 0.112 0.000 1.205 565 R HN 0.494 nan 8.270 nan 0.000 0.450 566 E N 2.362 122.667 120.200 0.175 0.000 2.191 566 E HA 0.263 4.613 4.350 -0.001 0.000 0.274 566 E C -1.265 175.379 176.600 0.073 0.000 0.948 566 E CA -0.799 55.680 56.400 0.133 0.000 0.802 566 E CB 2.412 32.185 29.700 0.122 0.000 1.137 566 E HN 0.396 nan 8.360 nan 0.000 0.397 567 Q N 2.953 122.772 119.800 0.032 0.000 2.386 567 Q HA 0.245 4.584 4.340 -0.001 0.000 0.274 567 Q C -1.517 174.436 176.000 -0.077 0.000 1.011 567 Q CA -0.590 55.203 55.803 -0.017 0.000 0.867 567 Q CB 1.416 30.135 28.738 -0.032 0.000 1.409 567 Q HN 0.554 nan 8.270 nan 0.000 0.395 568 L N 3.264 124.438 121.223 -0.081 0.000 2.453 568 L HA 0.344 4.684 4.340 -0.001 0.000 0.272 568 L C 0.260 176.990 176.870 -0.234 0.000 1.182 568 L CA -0.295 54.458 54.840 -0.144 0.000 0.858 568 L CB 0.527 42.538 42.059 -0.080 0.000 1.120 568 L HN 0.483 nan 8.230 nan 0.000 0.474 569 V N -0.642 119.027 119.914 -0.408 0.000 2.914 569 V HA 0.729 4.848 4.120 -0.001 0.000 0.314 569 V C -0.955 174.867 176.094 -0.454 0.000 1.084 569 V CA -0.868 61.150 62.300 -0.470 0.000 0.963 569 V CB 2.199 33.686 31.823 -0.560 0.000 1.025 569 V HN 0.800 nan 8.190 nan 0.000 0.432 570 D N 1.194 121.319 120.400 -0.458 0.000 2.601 570 D HA 0.652 5.291 4.640 -0.001 0.000 0.230 570 D C -1.377 174.616 176.300 -0.513 0.000 1.106 570 D CA -0.426 53.416 54.000 -0.263 0.000 0.873 570 D CB 2.373 43.121 40.800 -0.088 0.000 1.515 570 D HN 0.449 nan 8.370 nan 0.000 0.468 571 F N -0.259 119.754 119.950 0.105 0.000 2.599 571 F HA 0.352 4.878 4.527 -0.001 0.000 0.311 571 F C -0.620 175.340 175.800 0.266 0.000 1.076 571 F CA -1.034 57.039 58.000 0.122 0.000 0.937 571 F CB 1.581 40.693 39.000 0.187 0.000 1.282 571 F HN 0.139 nan 8.300 nan 0.000 0.460 572 Y N 2.128 122.581 120.300 0.254 0.000 2.304 572 Y HA 0.571 5.121 4.550 -0.001 0.000 0.328 572 Y C 0.165 176.186 175.900 0.201 0.000 1.123 572 Y CA -1.488 56.713 58.100 0.169 0.000 1.218 572 Y CB 0.993 39.507 38.460 0.090 0.000 1.207 572 Y HN 0.343 nan 8.280 nan 0.000 0.495 573 V N -0.367 119.747 119.914 0.333 0.000 2.962 573 V HA 0.536 4.655 4.120 -0.001 0.000 0.313 573 V C 0.356 176.589 176.094 0.232 0.000 1.099 573 V CA -0.794 61.664 62.300 0.263 0.000 0.971 573 V CB 1.682 33.659 31.823 0.257 0.000 1.028 573 V HN 0.673 nan 8.190 nan 0.000 0.430 574 S N 0.407 116.223 115.700 0.193 0.000 2.603 574 S HA 0.237 4.706 4.470 -0.001 0.000 0.220 574 S C 0.666 175.407 174.600 0.235 0.000 0.967 574 S CA 0.503 58.808 58.200 0.174 0.000 0.920 574 S CB -0.294 62.980 63.200 0.122 0.000 0.773 574 S HN 1.494 nan 8.310 nan 0.000 0.529 575 S N 1.159 117.000 115.700 0.234 0.000 2.541 575 S HA 0.561 5.030 4.470 -0.001 0.000 0.271 575 S C -2.607 171.900 174.600 -0.156 0.000 1.133 575 S CA -1.332 56.901 58.200 0.054 0.000 0.876 575 S CB 1.952 65.192 63.200 0.066 0.000 1.105 575 S HN 0.010 nan 8.310 nan 0.000 0.470 576 P HA 0.172 nan 4.420 nan 0.000 0.236 576 P C -0.149 176.966 177.300 -0.309 0.000 1.177 576 P CA 0.383 63.072 63.100 -0.684 0.000 0.773 576 P CB -0.175 30.812 31.700 -1.188 0.000 0.878 577 F N 0.848 120.809 119.950 0.019 0.000 2.509 577 F HA 0.263 4.790 4.527 -0.001 0.000 0.344 577 F C 0.500 176.346 175.800 0.077 0.000 1.197 577 F CA -0.950 57.094 58.000 0.074 0.000 1.294 577 F CB -0.105 38.903 39.000 0.014 0.000 1.643 577 F HN -0.331 nan 8.300 nan 0.000 0.596 578 V N 1.051 121.095 119.914 0.216 0.000 2.656 578 V HA 0.674 4.794 4.120 -0.001 0.000 0.307 578 V C -0.282 175.878 176.094 0.111 0.000 1.051 578 V CA -0.835 61.553 62.300 0.147 0.000 0.893 578 V CB 2.307 34.209 31.823 0.130 0.000 0.999 578 V HN 0.522 nan 8.190 nan 0.000 0.426 579 S N 2.962 118.709 115.700 0.078 0.000 2.599 579 S HA 0.892 5.361 4.470 -0.001 0.000 0.294 579 S C -0.974 173.611 174.600 -0.026 0.000 1.094 579 S CA -0.804 57.423 58.200 0.045 0.000 0.931 579 S CB 2.079 65.325 63.200 0.078 0.000 1.093 579 S HN 0.433 nan 8.310 nan 0.000 0.488 580 V N 1.832 121.693 119.914 -0.089 0.000 2.628 580 V HA 0.821 4.941 4.120 -0.001 0.000 0.306 580 V C 0.065 176.069 176.094 -0.149 0.000 1.045 580 V CA -0.438 61.730 62.300 -0.219 0.000 0.905 580 V CB 1.672 33.179 31.823 -0.526 0.000 0.997 580 V HN 1.214 nan 8.190 nan 0.000 0.436 581 T N -0.570 113.914 114.554 -0.118 0.000 2.896 581 T HA 0.639 4.989 4.350 -0.001 0.000 0.297 581 T C -0.869 173.809 174.700 -0.038 0.000 1.108 581 T CA -0.912 61.143 62.100 -0.076 0.000 1.004 581 T CB 2.067 70.884 68.868 -0.085 0.000 1.159 581 T HN 0.718 nan 8.240 nan 0.000 0.499 582 D N 0.632 120.984 120.400 -0.079 0.000 2.478 582 D HA 0.229 4.869 4.640 -0.001 0.000 0.269 582 D C 0.722 176.882 176.300 -0.234 0.000 1.232 582 D CA -1.197 52.640 54.000 -0.272 0.000 1.059 582 D CB 0.299 40.944 40.800 -0.258 0.000 1.104 582 D HN 0.333 nan 8.370 nan 0.000 0.566 583 L N -0.653 120.414 121.223 -0.259 0.000 2.645 583 L HA 0.319 4.659 4.340 -0.001 0.000 0.235 583 L C 1.401 178.195 176.870 -0.127 0.000 1.150 583 L CA 0.442 55.176 54.840 -0.176 0.000 0.911 583 L CB -0.911 41.055 42.059 -0.155 0.000 1.077 583 L HN 0.627 nan 8.230 nan 0.000 0.438 584 A N -1.116 121.635 122.820 -0.116 0.000 2.465 584 A HA 0.216 4.536 4.320 -0.001 0.000 0.255 584 A C 1.140 178.679 177.584 -0.076 0.000 1.274 584 A CA 0.229 52.216 52.037 -0.084 0.000 0.920 584 A CB -0.388 18.569 19.000 -0.072 0.000 1.033 584 A HN 0.422 nan 8.150 nan 0.000 0.516 585 N N 0.086 118.734 118.700 -0.088 0.000 2.782 585 N HA -0.139 4.601 4.740 -0.001 0.000 0.251 585 N C -1.034 174.433 175.510 -0.072 0.000 1.101 585 N CA 0.848 53.853 53.050 -0.075 0.000 0.764 585 N CB -1.806 36.648 38.487 -0.056 0.000 1.122 585 N HN 0.542 nan 8.380 nan 0.000 0.561 586 N N 1.084 119.737 118.700 -0.078 0.000 2.458 586 N HA 0.270 5.010 4.740 -0.001 0.000 0.270 586 N C -2.485 172.958 175.510 -0.111 0.000 1.102 586 N CA -0.861 52.139 53.050 -0.083 0.000 0.967 586 N CB 0.683 39.131 38.487 -0.065 0.000 1.078 586 N HN 0.242 nan 8.380 nan 0.000 0.471 587 P HA 0.076 nan 4.420 nan 0.000 0.269 587 P C -0.494 176.671 177.300 -0.224 0.000 1.209 587 P CA -0.119 62.805 63.100 -0.293 0.000 0.776 587 P CB 0.746 32.038 31.700 -0.680 0.000 0.876 588 V N 2.089 121.914 119.914 -0.148 0.000 2.588 588 V HA 0.219 4.338 4.120 -0.001 0.000 0.304 588 V C 0.276 176.362 176.094 -0.014 0.000 1.042 588 V CA -0.806 61.467 62.300 -0.045 0.000 0.877 588 V CB 1.530 33.347 31.823 -0.010 0.000 0.996 588 V HN 0.545 nan 8.190 nan 0.000 0.425 589 E N 2.856 123.087 120.200 0.052 0.000 2.414 589 E HA 0.470 4.820 4.350 -0.001 0.000 0.263 589 E C -0.240 176.429 176.600 0.115 0.000 1.000 589 E CA 0.128 56.590 56.400 0.103 0.000 0.914 589 E CB 0.900 30.665 29.700 0.109 0.000 0.948 589 E HN 0.884 nan 8.360 nan 0.000 0.444 590 A N 4.203 127.081 122.820 0.097 0.000 2.527 590 A HA 0.445 4.765 4.320 -0.001 0.000 0.293 590 A C -1.328 176.277 177.584 0.034 0.000 1.117 590 A CA -0.706 51.398 52.037 0.111 0.000 0.723 590 A CB 1.986 21.044 19.000 0.096 0.000 1.313 590 A HN 0.659 nan 8.150 nan 0.000 0.411 591 Q N 0.660 120.484 119.800 0.041 0.000 2.347 591 Q HA 0.647 4.987 4.340 -0.001 0.000 0.271 591 Q C -2.070 173.918 176.000 -0.021 0.000 1.064 591 Q CA -0.542 55.242 55.803 -0.032 0.000 0.800 591 Q CB 2.249 31.008 28.738 0.034 0.000 1.304 591 Q HN 0.587 nan 8.270 nan 0.000 0.438 592 V N 2.594 122.422 119.914 -0.144 0.000 2.513 592 V HA 0.601 4.721 4.120 -0.001 0.000 0.299 592 V C -0.570 175.694 176.094 0.283 0.000 1.035 592 V CA -0.278 62.049 62.300 0.045 0.000 0.889 592 V CB 1.869 33.675 31.823 -0.028 0.000 0.988 592 V HN 0.856 nan 8.190 nan 0.000 0.440 593 S N 5.110 121.009 115.700 0.332 0.000 2.632 593 S HA 0.692 5.162 4.470 -0.001 0.000 0.289 593 S C -2.777 171.883 174.600 0.101 0.000 1.115 593 S CA -1.162 57.218 58.200 0.300 0.000 0.889 593 S CB 2.447 65.773 63.200 0.210 0.000 1.116 593 S HN 0.530 nan 8.310 nan 0.000 0.486 594 P HA 0.286 nan 4.420 nan 0.000 0.274 594 P C -1.177 175.789 177.300 -0.557 0.000 1.256 594 P CA -0.526 62.179 63.100 -0.658 0.000 0.795 594 P CB 0.395 31.290 31.700 -1.342 0.000 1.038 595 V N 1.375 120.883 119.914 -0.678 0.000 2.333 595 V HA 0.220 4.340 4.120 -0.001 0.000 0.274 595 V C -0.646 175.145 176.094 -0.505 0.000 1.028 595 V CA -0.191 61.806 62.300 -0.506 0.000 0.851 595 V CB -0.186 31.244 31.823 -0.656 0.000 1.000 595 V HN 0.515 nan 8.190 nan 0.000 0.456 596 W N 3.537 124.748 121.300 -0.148 0.000 2.478 596 W HA 0.637 5.297 4.660 -0.001 0.000 0.318 596 W C 0.392 176.840 176.519 -0.119 0.000 1.062 596 W CA -0.427 56.819 57.345 -0.164 0.000 1.210 596 W CB 1.904 31.270 29.460 -0.156 0.000 1.325 596 W HN 0.577 nan 8.180 nan 0.000 0.496 597 S N 1.412 117.170 115.700 0.097 0.000 2.536 597 S HA 0.620 5.089 4.470 -0.001 0.000 0.298 597 S C -1.361 173.080 174.600 -0.265 0.000 1.083 597 S CA -0.946 57.250 58.200 -0.006 0.000 0.995 597 S CB 1.298 64.499 63.200 0.001 0.000 1.058 597 S HN 0.430 nan 8.310 nan 0.000 0.488 598 W N 1.261 122.333 121.300 -0.380 0.000 2.512 598 W HA 0.571 5.230 4.660 -0.001 0.000 0.335 598 W C 0.307 176.364 176.519 -0.770 0.000 1.088 598 W CA -0.152 56.952 57.345 -0.401 0.000 1.236 598 W CB 1.019 30.354 29.460 -0.209 0.000 1.307 598 W HN 0.628 nan 8.180 nan 0.000 0.567 599 H N 1.292 120.391 119.070 0.048 0.000 2.771 599 H HA 0.103 4.659 4.556 -0.001 0.000 0.361 599 H C -1.123 174.208 175.328 0.005 0.000 1.108 599 H CA -0.937 55.087 56.048 -0.041 0.000 1.201 599 H CB 1.806 31.444 29.762 -0.207 0.000 1.681 599 H HN 0.371 nan 8.280 nan 0.000 0.534 600 H N 2.334 121.453 119.070 0.082 0.000 2.761 600 H HA 0.072 4.628 4.556 -0.001 0.000 0.284 600 H C -0.577 174.800 175.328 0.081 0.000 1.105 600 H CA -0.414 55.677 56.048 0.072 0.000 1.352 600 H CB 0.193 29.986 29.762 0.051 0.000 1.423 600 H HN 0.429 nan 8.280 nan 0.000 0.464 601 D N 3.736 124.091 120.400 -0.075 0.000 2.352 601 D HA -0.032 4.608 4.640 -0.001 0.000 0.245 601 D C 0.936 177.047 176.300 -0.314 0.000 1.224 601 D CA 0.146 54.096 54.000 -0.083 0.000 0.879 601 D CB 0.668 41.610 40.800 0.238 0.000 1.057 601 D HN 0.765 nan 8.370 nan 0.000 0.491 602 T N 1.386 115.718 114.554 -0.370 0.000 3.113 602 T HA -0.060 4.290 4.350 -0.001 0.000 0.263 602 T C 1.758 176.393 174.700 -0.109 0.000 1.143 602 T CA 0.074 61.993 62.100 -0.302 0.000 1.090 602 T CB 0.207 68.961 68.868 -0.191 0.000 0.922 602 T HN 0.256 nan 8.240 nan 0.000 0.521 603 L N 2.193 123.376 121.223 -0.066 0.000 2.121 603 L HA 0.101 4.440 4.340 -0.001 0.000 0.200 603 L C 2.996 179.866 176.870 -0.001 0.000 1.077 603 L CA 2.173 56.999 54.840 -0.023 0.000 0.766 603 L CB -1.641 40.409 42.059 -0.015 0.000 0.931 603 L HN 0.532 nan 8.230 nan 0.000 0.452 604 T N -3.659 110.905 114.554 0.017 0.000 3.088 604 T HA -0.028 4.322 4.350 -0.001 0.000 0.259 604 T C 0.743 175.481 174.700 0.062 0.000 1.122 604 T CA -0.099 62.020 62.100 0.031 0.000 1.095 604 T CB 0.060 68.941 68.868 0.023 0.000 0.930 604 T HN 0.120 nan 8.240 nan 0.000 0.508 605 K N 1.973 122.418 120.400 0.075 0.000 3.125 605 K HA -0.120 4.199 4.320 -0.001 0.000 0.268 605 K C 0.068 176.790 176.600 0.204 0.000 1.078 605 K CA 1.234 57.614 56.287 0.154 0.000 0.775 605 K CB -2.863 29.708 32.500 0.118 0.000 1.253 605 K HN 0.885 nan 8.250 nan 0.000 0.486 606 T N -2.810 111.890 114.554 0.244 0.000 2.896 606 T HA 0.801 5.151 4.350 -0.001 0.000 0.297 606 T C 0.219 175.158 174.700 0.398 0.000 1.108 606 T CA -1.044 61.224 62.100 0.281 0.000 1.004 606 T CB 2.277 71.289 68.868 0.239 0.000 1.159 606 T HN 0.141 nan 8.240 nan 0.000 0.499 607 I N 3.184 123.966 120.570 0.354 0.000 2.330 607 I HA 0.524 4.693 4.170 -0.001 0.000 0.289 607 I C -0.276 176.129 176.117 0.481 0.000 1.001 607 I CA -0.633 60.882 61.300 0.358 0.000 1.193 607 I CB 0.607 38.749 38.000 0.236 0.000 1.345 607 I HN 0.938 nan 8.210 nan 0.000 0.461 608 H N 6.076 125.337 119.070 0.318 0.000 3.008 608 H HA 0.668 5.223 4.556 -0.001 0.000 0.354 608 H C -3.186 171.958 175.328 -0.306 0.000 1.252 608 H CA -2.341 53.733 56.048 0.044 0.000 1.117 608 H CB 1.813 31.586 29.762 0.020 0.000 1.857 608 H HN 0.139 nan 8.280 nan 0.000 0.547 609 P HA 0.220 nan 4.420 nan 0.000 0.290 609 P C -1.052 176.197 177.300 -0.086 0.000 1.275 609 P CA -0.651 61.938 63.100 -0.851 0.000 0.841 609 P CB 1.848 32.657 31.700 -1.486 0.000 1.042 610 Q N 0.811 120.671 119.800 0.100 0.000 2.353 610 Q HA 0.573 4.913 4.340 -0.001 0.000 0.268 610 Q C 0.095 176.196 176.000 0.168 0.000 1.045 610 Q CA -0.574 55.353 55.803 0.205 0.000 0.811 610 Q CB 2.929 31.755 28.738 0.146 0.000 1.305 610 Q HN 0.596 nan 8.270 nan 0.000 0.447 611 G N 0.604 109.378 108.800 -0.043 0.000 2.389 611 G HA2 0.365 4.325 3.960 -0.001 0.000 0.328 611 G HA3 0.365 4.325 3.960 -0.001 0.000 0.328 611 G C -0.457 174.194 174.900 -0.416 0.000 1.133 611 G CA -0.316 44.433 45.100 -0.584 0.000 0.891 611 G HN 0.414 nan 8.290 nan 0.000 0.485 612 S N -0.802 114.587 115.700 -0.519 0.000 2.580 612 S HA 0.382 4.851 4.470 -0.001 0.000 0.274 612 S C 1.455 175.788 174.600 -0.444 0.000 1.329 612 S CA 0.178 58.117 58.200 -0.435 0.000 1.036 612 S CB 0.807 63.689 63.200 -0.530 0.000 0.919 612 S HN 0.882 nan 8.310 nan 0.000 0.515 613 T N -0.259 114.123 114.554 -0.287 0.000 3.134 613 T HA 0.195 4.544 4.350 -0.001 0.000 0.260 613 T C 0.945 175.574 174.700 -0.118 0.000 1.027 613 T CA 0.364 62.366 62.100 -0.163 0.000 0.913 613 T CB -0.200 68.629 68.868 -0.065 0.000 1.046 613 T HN 0.695 nan 8.240 nan 0.000 0.553 614 T N -2.310 112.069 114.554 -0.291 0.000 3.080 614 T HA 0.377 4.727 4.350 -0.001 0.000 0.280 614 T C 0.146 174.661 174.700 -0.309 0.000 0.926 614 T CA -0.502 61.502 62.100 -0.159 0.000 0.883 614 T CB 0.326 69.145 68.868 -0.081 0.000 1.194 614 T HN 0.210 nan 8.240 nan 0.000 0.541 615 K N 0.799 120.779 120.400 -0.700 0.000 2.316 615 K HA 0.683 5.002 4.320 -0.001 0.000 0.251 615 K C -1.849 174.079 176.600 -1.120 0.000 0.934 615 K CA -0.734 55.192 56.287 -0.602 0.000 0.802 615 K CB 2.221 34.409 32.500 -0.520 0.000 1.171 615 K HN 0.146 nan 8.250 nan 0.000 0.426 616 Y N -0.029 120.184 120.300 -0.146 0.000 2.615 616 Y HA 0.411 4.961 4.550 -0.001 0.000 0.341 616 Y C -0.221 175.680 175.900 0.003 0.000 1.089 616 Y CA -1.109 56.932 58.100 -0.098 0.000 1.049 616 Y CB 1.785 40.258 38.460 0.023 0.000 1.296 616 Y HN 0.265 nan 8.280 nan 0.000 0.470 617 R N 1.675 122.293 120.500 0.198 0.000 2.346 617 R HA 0.594 4.933 4.340 -0.001 0.000 0.311 617 R C -1.257 175.209 176.300 0.276 0.000 0.983 617 R CA -0.675 55.588 56.100 0.273 0.000 0.880 617 R CB 1.708 32.147 30.300 0.231 0.000 1.100 617 R HN 0.642 nan 8.270 nan 0.000 0.453 618 I N 4.061 124.817 120.570 0.309 0.000 2.412 618 I HA 0.439 4.608 4.170 -0.001 0.000 0.296 618 I C -1.042 175.260 176.117 0.308 0.000 0.987 618 I CA -0.694 60.781 61.300 0.291 0.000 1.180 618 I CB 1.017 39.201 38.000 0.306 0.000 1.340 618 I HN 0.542 nan 8.210 nan 0.000 0.455 619 I N 8.044 128.768 120.570 0.256 0.000 2.545 619 I HA 0.522 4.691 4.170 -0.001 0.000 0.292 619 I C -1.072 175.201 176.117 0.260 0.000 1.040 619 I CA -0.553 60.849 61.300 0.170 0.000 1.068 619 I CB 1.750 39.808 38.000 0.097 0.000 1.251 619 I HN 0.536 nan 8.210 nan 0.000 0.424 620 F N 2.778 122.749 119.950 0.036 0.000 2.713 620 F HA 0.557 5.083 4.527 -0.001 0.000 0.311 620 F C -1.128 174.652 175.800 -0.033 0.000 1.141 620 F CA -1.280 56.719 58.000 -0.001 0.000 0.939 620 F CB 1.334 40.321 39.000 -0.022 0.000 1.325 620 F HN 0.207 nan 8.300 nan 0.000 0.453 621 K N 2.040 122.533 120.400 0.154 0.000 2.285 621 K HA 0.732 5.051 4.320 -0.001 0.000 0.286 621 K C -0.645 176.003 176.600 0.080 0.000 1.072 621 K CA -0.349 55.964 56.287 0.043 0.000 0.913 621 K CB 0.807 33.365 32.500 0.097 0.000 1.067 621 K HN 0.929 nan 8.250 nan 0.000 0.479 622 A N 4.652 127.418 122.820 -0.092 0.000 2.310 622 A HA 0.401 4.721 4.320 -0.001 0.000 0.299 622 A C -0.624 177.090 177.584 0.215 0.000 1.147 622 A CA -0.668 51.382 52.037 0.022 0.000 0.818 622 A CB 0.656 19.619 19.000 -0.061 0.000 1.096 622 A HN 0.877 nan 8.150 nan 0.000 0.495 623 R N 2.080 122.824 120.500 0.408 0.000 2.439 623 R HA 0.603 4.943 4.340 -0.001 0.000 0.310 623 R C -1.902 174.656 176.300 0.429 0.000 0.955 623 R CA -0.247 56.080 56.100 0.377 0.000 0.853 623 R CB 1.328 31.835 30.300 0.345 0.000 1.171 623 R HN 0.503 nan 8.270 nan 0.000 0.449 624 V N 5.972 126.088 119.914 0.337 0.000 2.656 624 V HA 0.466 4.586 4.120 -0.001 0.000 0.307 624 V C -2.272 173.717 176.094 -0.176 0.000 1.051 624 V CA -2.337 60.050 62.300 0.146 0.000 0.893 624 V CB 1.898 33.783 31.823 0.103 0.000 0.999 624 V HN 0.780 nan 8.190 nan 0.000 0.426 625 P HA 0.229 nan 4.420 nan 0.000 0.271 625 P C -2.747 174.060 177.300 -0.822 0.000 1.233 625 P CA -1.417 60.773 63.100 -1.515 0.000 0.789 625 P CB -0.260 30.746 31.700 -1.155 0.000 0.951 626 P HA 0.083 nan 4.420 nan 0.000 0.264 626 P C 0.121 177.364 177.300 -0.095 0.000 1.193 626 P CA 0.571 63.469 63.100 -0.337 0.000 0.763 626 P CB -0.240 31.334 31.700 -0.210 0.000 0.810 627 M N 0.346 119.932 119.600 -0.023 0.000 2.210 627 M HA -0.219 4.260 4.480 -0.001 0.000 0.198 627 M C 0.588 177.074 176.300 0.310 0.000 0.319 627 M CA 0.954 56.379 55.300 0.208 0.000 0.399 627 M CB -2.041 30.776 32.600 0.362 0.000 1.227 627 M HN 0.581 nan 8.290 nan 0.000 0.931 628 G N -0.180 108.660 108.800 0.066 0.000 3.105 628 G HA2 0.937 4.897 3.960 -0.001 0.000 0.277 628 G HA3 0.937 4.897 3.960 -0.001 0.000 0.277 628 G C -1.348 173.671 174.900 0.198 0.000 1.375 628 G CA -0.977 44.136 45.100 0.020 0.000 0.962 628 G HN 0.192 nan 8.290 nan 0.000 0.541 629 L N -0.426 120.895 121.223 0.164 0.000 2.388 629 L HA 0.785 5.125 4.340 -0.001 0.000 0.264 629 L C -0.269 176.689 176.870 0.147 0.000 0.998 629 L CA -1.026 53.941 54.840 0.212 0.000 0.817 629 L CB 2.459 44.646 42.059 0.213 0.000 1.338 629 L HN 0.754 nan 8.230 nan 0.000 0.414 630 A N 0.946 123.893 122.820 0.213 0.000 2.398 630 A HA 0.813 5.133 4.320 -0.001 0.000 0.301 630 A C -0.759 176.974 177.584 0.248 0.000 1.041 630 A CA -0.451 51.699 52.037 0.188 0.000 0.711 630 A CB 1.722 20.882 19.000 0.268 0.000 1.240 630 A HN 0.559 nan 8.150 nan 0.000 0.420 631 T N 2.182 116.782 114.554 0.077 0.000 2.824 631 T HA 0.640 4.990 4.350 -0.001 0.000 0.280 631 T C -1.038 173.585 174.700 -0.128 0.000 0.995 631 T CA 0.236 62.429 62.100 0.155 0.000 1.009 631 T CB 0.339 69.302 68.868 0.159 0.000 0.955 631 T HN 0.443 nan 8.240 nan 0.000 0.452 632 Y N 0.442 120.836 120.300 0.155 0.000 2.633 632 Y HA 0.691 5.240 4.550 -0.001 0.000 0.339 632 Y C -0.286 175.548 175.900 -0.110 0.000 1.045 632 Y CA -1.140 56.963 58.100 0.005 0.000 1.098 632 Y CB 1.700 40.178 38.460 0.028 0.000 1.296 632 Y HN 0.305 nan 8.280 nan 0.000 0.494 633 V N 2.934 122.817 119.914 -0.053 0.000 2.588 633 V HA 0.428 4.547 4.120 -0.001 0.000 0.304 633 V C -0.846 175.188 176.094 -0.100 0.000 1.042 633 V CA -0.966 61.235 62.300 -0.165 0.000 0.877 633 V CB 1.844 33.500 31.823 -0.278 0.000 0.996 633 V HN 0.490 nan 8.190 nan 0.000 0.425 634 L N 3.869 125.060 121.223 -0.052 0.000 2.296 634 L HA 0.678 5.018 4.340 -0.001 0.000 0.286 634 L C -0.117 176.768 176.870 0.024 0.000 1.023 634 L CA -0.114 54.712 54.840 -0.023 0.000 0.812 634 L CB 1.820 43.881 42.059 0.004 0.000 1.223 634 L HN 0.608 nan 8.230 nan 0.000 0.421 635 T N 3.783 118.355 114.554 0.030 0.000 2.861 635 T HA 0.461 4.810 4.350 -0.001 0.000 0.287 635 T C -0.260 174.488 174.700 0.080 0.000 1.003 635 T CA -0.380 61.752 62.100 0.053 0.000 0.977 635 T CB 2.355 71.244 68.868 0.035 0.000 0.996 635 T HN 0.380 nan 8.240 nan 0.000 0.448 636 I N 3.160 123.785 120.570 0.093 0.000 2.532 636 I HA 0.538 4.708 4.170 -0.001 0.000 0.292 636 I C 0.256 176.436 176.117 0.106 0.000 1.014 636 I CA 0.075 61.447 61.300 0.119 0.000 1.340 636 I CB 0.779 38.852 38.000 0.122 0.000 1.422 636 I HN 0.808 nan 8.210 nan 0.000 0.528 637 S N 3.471 119.250 115.700 0.132 0.000 2.667 637 S HA 0.327 4.797 4.470 -0.001 0.000 0.292 637 S C 0.126 174.750 174.600 0.041 0.000 1.126 637 S CA -0.564 57.678 58.200 0.071 0.000 0.881 637 S CB 1.614 64.844 63.200 0.050 0.000 1.132 637 S HN 0.721 nan 8.310 nan 0.000 0.492 638 D N 0.207 120.576 120.400 -0.052 0.000 2.347 638 D HA 0.089 4.729 4.640 -0.001 0.000 0.213 638 D C 0.764 176.806 176.300 -0.430 0.000 0.985 638 D CA 0.765 54.689 54.000 -0.126 0.000 0.879 638 D CB -0.192 40.555 40.800 -0.088 0.000 0.919 638 D HN 0.637 nan 8.370 nan 0.000 0.526 639 S N -1.544 113.835 115.700 -0.535 0.000 2.752 639 S HA 0.352 4.822 4.470 -0.001 0.000 0.284 639 S C -0.705 173.532 174.600 -0.606 0.000 1.189 639 S CA -1.196 56.445 58.200 -0.932 0.000 0.835 639 S CB 1.385 64.290 63.200 -0.492 0.000 1.192 639 S HN -0.049 nan 8.310 nan 0.000 0.506 640 K N 1.811 121.958 120.400 -0.422 0.000 2.440 640 K HA 0.148 4.467 4.320 -0.001 0.000 0.275 640 K C -2.449 174.198 176.600 0.078 0.000 1.082 640 K CA -0.412 55.918 56.287 0.071 0.000 1.135 640 K CB -0.765 31.785 32.500 0.085 0.000 0.864 640 K HN 0.385 nan 8.250 nan 0.000 0.479 641 P HA 0.011 nan 4.420 nan 0.000 0.275 641 P C 0.647 177.976 177.300 0.048 0.000 1.228 641 P CA -0.308 62.851 63.100 0.100 0.000 0.786 641 P CB 0.700 32.482 31.700 0.138 0.000 0.927 642 E N 1.223 121.406 120.200 -0.028 0.000 2.160 642 E HA -0.239 4.110 4.350 -0.001 0.000 0.195 642 E C 0.502 176.911 176.600 -0.318 0.000 0.991 642 E CA 1.173 57.455 56.400 -0.196 0.000 0.810 642 E CB -0.019 29.479 29.700 -0.337 0.000 0.742 642 E HN 0.501 nan 8.360 nan 0.000 0.466 643 H N -0.787 118.298 119.070 0.025 0.000 2.505 643 H HA 0.219 4.774 4.556 -0.001 0.000 0.286 643 H C -0.416 174.911 175.328 -0.002 0.000 1.072 643 H CA 0.157 56.214 56.048 0.015 0.000 1.141 643 H CB 0.799 30.568 29.762 0.011 0.000 1.550 643 H HN -0.051 nan 8.280 nan 0.000 0.547 644 T N 1.588 116.174 114.554 0.054 0.000 2.792 644 T HA 0.310 4.659 4.350 -0.001 0.000 0.280 644 T C 0.369 174.961 174.700 -0.179 0.000 0.990 644 T CA -0.679 61.382 62.100 -0.065 0.000 0.960 644 T CB 2.119 70.943 68.868 -0.074 0.000 0.939 644 T HN 0.268 nan 8.240 nan 0.000 0.439 645 S N 2.425 117.974 115.700 -0.251 0.000 2.718 645 S HA 0.781 5.251 4.470 -0.001 0.000 0.300 645 S C -1.359 172.896 174.600 -0.575 0.000 1.117 645 S CA -0.792 57.275 58.200 -0.221 0.000 1.002 645 S CB 0.837 64.011 63.200 -0.043 0.000 1.092 645 S HN 0.573 nan 8.310 nan 0.000 0.542 646 Y N -0.097 120.208 120.300 0.007 0.000 2.391 646 Y HA 0.653 5.203 4.550 -0.001 0.000 0.341 646 Y C 0.570 176.519 175.900 0.081 0.000 0.965 646 Y CA -0.788 57.301 58.100 -0.018 0.000 1.067 646 Y CB 1.716 40.026 38.460 -0.250 0.000 1.199 646 Y HN 1.041 nan 8.280 nan 0.000 0.450 647 A N 1.944 124.949 122.820 0.308 0.000 2.386 647 A HA 0.506 4.826 4.320 -0.001 0.000 0.248 647 A C 0.272 178.054 177.584 0.328 0.000 1.082 647 A CA -0.267 51.941 52.037 0.284 0.000 0.789 647 A CB -0.057 19.111 19.000 0.280 0.000 1.025 647 A HN 0.766 nan 8.150 nan 0.000 0.490 648 S N 1.753 117.584 115.700 0.219 0.000 2.672 648 S HA 0.580 5.050 4.470 -0.001 0.000 0.276 648 S C -0.378 174.326 174.600 0.173 0.000 1.207 648 S CA -0.910 57.405 58.200 0.192 0.000 1.002 648 S CB 0.821 64.091 63.200 0.117 0.000 0.998 648 S HN 0.691 nan 8.310 nan 0.000 0.542 649 N N 0.390 119.170 118.700 0.133 0.000 2.310 649 N HA 0.474 5.214 4.740 -0.001 0.000 0.292 649 N C -2.026 173.439 175.510 -0.075 0.000 1.049 649 N CA -0.511 52.578 53.050 0.066 0.000 0.849 649 N CB 2.053 40.668 38.487 0.213 0.000 1.532 649 N HN 0.595 nan 8.380 nan 0.000 0.479 650 L N 2.303 123.436 121.223 -0.151 0.000 2.404 650 L HA 0.523 4.863 4.340 -0.001 0.000 0.272 650 L C -1.657 175.056 176.870 -0.261 0.000 0.980 650 L CA -0.718 53.999 54.840 -0.205 0.000 0.836 650 L CB 1.488 43.483 42.059 -0.107 0.000 1.238 650 L HN 0.452 nan 8.230 nan 0.000 0.408 651 L N 6.075 127.083 121.223 -0.358 0.000 2.265 651 L HA 0.548 4.887 4.340 -0.001 0.000 0.289 651 L C -1.257 175.582 176.870 -0.051 0.000 1.033 651 L CA -0.003 54.691 54.840 -0.243 0.000 0.814 651 L CB 0.873 42.768 42.059 -0.274 0.000 1.203 651 L HN 0.601 nan 8.230 nan 0.000 0.423 652 L N 6.808 128.023 121.223 -0.014 0.000 2.262 652 L HA 0.704 5.043 4.340 -0.001 0.000 0.288 652 L C -0.299 176.612 176.870 0.069 0.000 1.035 652 L CA -0.573 54.290 54.840 0.039 0.000 0.820 652 L CB 0.780 42.854 42.059 0.026 0.000 1.204 652 L HN 0.754 nan 8.230 nan 0.000 0.424 653 R N 2.149 122.701 120.500 0.088 0.000 2.753 653 R HA 0.418 4.758 4.340 -0.001 0.000 0.272 653 R C -1.800 174.540 176.300 0.067 0.000 1.034 653 R CA -0.986 55.161 56.100 0.080 0.000 0.869 653 R CB 1.103 31.454 30.300 0.085 0.000 1.264 653 R HN 0.179 nan 8.270 nan 0.000 0.481 654 K N 1.420 121.849 120.400 0.048 0.000 2.118 654 K HA 0.221 4.540 4.320 -0.001 0.000 0.264 654 K C -0.338 176.269 176.600 0.011 0.000 1.000 654 K CA -0.584 55.722 56.287 0.031 0.000 0.929 654 K CB 0.582 33.098 32.500 0.027 0.000 1.021 654 K HN 0.822 nan 8.250 nan 0.000 0.463 655 N N 0.982 119.675 118.700 -0.010 0.000 2.746 655 N HA -0.104 4.636 4.740 -0.001 0.000 0.250 655 N C -2.612 172.856 175.510 -0.071 0.000 1.055 655 N CA 0.105 53.131 53.050 -0.041 0.000 0.699 655 N CB -0.761 37.706 38.487 -0.032 0.000 0.919 655 N HN 0.423 nan 8.380 nan 0.000 0.548 656 P HA 0.315 nan 4.420 nan 0.000 0.276 656 P C -0.314 176.813 177.300 -0.288 0.000 1.244 656 P CA -0.096 62.912 63.100 -0.153 0.000 0.801 656 P CB 1.073 32.677 31.700 -0.160 0.000 1.006 657 T N -2.828 111.550 114.554 -0.294 0.000 2.916 657 T HA 0.480 4.830 4.350 -0.001 0.000 0.292 657 T C 0.233 174.744 174.700 -0.314 0.000 1.064 657 T CA -0.764 61.169 62.100 -0.278 0.000 1.011 657 T CB 0.676 69.449 68.868 -0.158 0.000 1.152 657 T HN 0.479 nan 8.240 nan 0.000 0.510 658 S N 0.786 116.353 115.700 -0.222 0.000 2.576 658 S HA 0.399 4.869 4.470 -0.001 0.000 0.272 658 S C -0.127 174.575 174.600 0.170 0.000 1.352 658 S CA -0.755 57.419 58.200 -0.043 0.000 1.021 658 S CB -0.321 62.871 63.200 -0.013 0.000 0.887 658 S HN 0.700 nan 8.310 nan 0.000 0.542 659 L N 2.287 123.715 121.223 0.341 0.000 2.480 659 L HA 0.368 4.707 4.340 -0.001 0.000 0.253 659 L C -2.330 174.647 176.870 0.178 0.000 1.324 659 L CA -1.629 53.380 54.840 0.282 0.000 0.916 659 L CB 1.583 43.889 42.059 0.413 0.000 1.160 659 L HN 0.599 nan 8.230 nan 0.000 0.503 660 P HA 0.138 nan 4.420 nan 0.000 0.271 660 P C -0.055 177.243 177.300 -0.003 0.000 1.218 660 P CA -0.102 63.034 63.100 0.061 0.000 0.780 660 P CB 1.741 33.467 31.700 0.042 0.000 0.901 661 L N 1.289 122.521 121.223 0.016 0.000 3.366 661 L HA 0.279 4.618 4.340 -0.001 0.000 0.304 661 L C 1.436 178.377 176.870 0.119 0.000 1.292 661 L CA -0.077 54.748 54.840 -0.025 0.000 1.012 661 L CB 0.055 42.077 42.059 -0.062 0.000 1.414 661 L HN 0.732 nan 8.230 nan 0.000 0.603 662 G N 1.288 110.139 108.800 0.086 0.000 2.591 662 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.298 662 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.298 662 G C 0.540 175.503 174.900 0.105 0.000 1.195 662 G CA 0.727 45.896 45.100 0.114 0.000 0.989 662 G HN 0.477 nan 8.290 nan 0.000 0.551 663 Q N -0.460 119.383 119.800 0.073 0.000 2.482 663 Q HA 0.192 4.532 4.340 -0.001 0.000 0.209 663 Q C 0.844 176.690 176.000 -0.256 0.000 0.961 663 Q CA 0.298 56.048 55.803 -0.088 0.000 0.945 663 Q CB 0.250 28.871 28.738 -0.194 0.000 1.012 663 Q HN 0.510 nan 8.270 nan 0.000 0.515 664 Y N 4.329 124.448 120.300 -0.302 0.000 2.805 664 Y HA -0.051 4.498 4.550 -0.001 0.000 0.331 664 Y C -1.322 174.434 175.900 -0.240 0.000 1.241 664 Y CA -1.579 56.322 58.100 -0.330 0.000 1.546 664 Y CB 0.796 39.227 38.460 -0.047 0.000 1.248 664 Y HN 0.048 nan 8.280 nan 0.000 0.559 665 P HA -0.089 nan 4.420 nan 0.000 0.242 665 P C -0.610 176.524 177.300 -0.277 0.000 1.197 665 P CA 0.779 63.602 63.100 -0.462 0.000 0.765 665 P CB 0.297 31.622 31.700 -0.624 0.000 0.936 666 E N 0.785 120.858 120.200 -0.212 0.000 2.199 666 E HA 0.255 4.604 4.350 -0.001 0.000 0.265 666 E C -0.917 175.800 176.600 0.195 0.000 0.882 666 E CA -0.838 55.580 56.400 0.030 0.000 0.759 666 E CB 0.757 30.514 29.700 0.095 0.000 1.148 666 E HN -0.206 nan 8.360 nan 0.000 0.412 667 D N 2.712 123.191 120.400 0.131 0.000 2.345 667 D HA 0.116 4.755 4.640 -0.001 0.000 0.247 667 D C -0.135 176.243 176.300 0.129 0.000 1.108 667 D CA -0.241 53.846 54.000 0.145 0.000 0.894 667 D CB 1.284 42.155 40.800 0.118 0.000 1.203 667 D HN 0.220 nan 8.370 nan 0.000 0.430 668 V N 2.660 122.641 119.914 0.113 0.000 2.763 668 V HA -0.022 4.097 4.120 -0.001 0.000 0.306 668 V C 0.571 176.548 176.094 -0.196 0.000 1.059 668 V CA 0.200 62.475 62.300 -0.042 0.000 1.138 668 V CB 0.512 32.285 31.823 -0.084 0.000 0.940 668 V HN 0.371 nan 8.190 nan 0.000 0.489 669 K N 3.660 123.870 120.400 -0.317 0.000 2.166 669 K HA 0.757 5.077 4.320 -0.001 0.000 0.245 669 K C -0.978 175.260 176.600 -0.603 0.000 0.967 669 K CA -0.275 55.864 56.287 -0.245 0.000 0.863 669 K CB 1.143 33.597 32.500 -0.077 0.000 1.107 669 K HN 0.390 nan 8.250 nan 0.000 0.436 670 F N -0.746 119.218 119.950 0.025 0.000 2.603 670 F HA 0.800 5.327 4.527 -0.001 0.000 0.317 670 F C 0.527 176.333 175.800 0.011 0.000 1.066 670 F CA -0.652 57.354 58.000 0.011 0.000 0.941 670 F CB 2.788 41.792 39.000 0.007 0.000 1.291 670 F HN 0.531 nan 8.300 nan 0.000 0.472 671 G N 0.277 109.190 108.800 0.188 0.000 2.576 671 G HA2 0.404 4.363 3.960 -0.001 0.000 0.290 671 G HA3 0.404 4.363 3.960 -0.001 0.000 0.290 671 G C -2.215 172.741 174.900 0.094 0.000 1.442 671 G CA -0.841 44.327 45.100 0.114 0.000 0.792 671 G HN 0.366 nan 8.290 nan 0.000 0.491 672 D N 0.693 121.136 120.400 0.070 0.000 2.339 672 D HA 0.411 5.051 4.640 -0.001 0.000 0.245 672 D C -1.989 174.343 176.300 0.054 0.000 1.115 672 D CA -0.719 53.316 54.000 0.059 0.000 0.917 672 D CB 1.087 41.915 40.800 0.046 0.000 1.192 672 D HN -0.005 nan 8.370 nan 0.000 0.428 673 P HA 0.050 nan 4.420 nan 0.000 0.264 673 P C -0.518 176.813 177.300 0.052 0.000 1.179 673 P CA 0.501 63.634 63.100 0.055 0.000 0.763 673 P CB 0.429 32.164 31.700 0.058 0.000 0.806 674 R N 0.442 120.975 120.500 0.055 0.000 2.690 674 R HA 0.412 4.751 4.340 -0.001 0.000 0.269 674 R C -1.166 175.175 176.300 0.067 0.000 1.037 674 R CA -1.031 55.101 56.100 0.053 0.000 0.877 674 R CB 1.100 31.427 30.300 0.045 0.000 1.255 674 R HN 0.233 nan 8.270 nan 0.000 0.467 675 E N 1.488 121.728 120.200 0.066 0.000 2.398 675 E HA 0.281 4.630 4.350 -0.001 0.000 0.263 675 E C -0.046 176.611 176.600 0.096 0.000 1.046 675 E CA -0.089 56.363 56.400 0.088 0.000 0.908 675 E CB 0.890 30.625 29.700 0.058 0.000 0.963 675 E HN 0.447 nan 8.360 nan 0.000 0.431 676 I N -2.195 118.466 120.570 0.152 0.000 2.994 676 I HA 0.500 4.669 4.170 -0.001 0.000 0.306 676 I C -0.805 175.453 176.117 0.236 0.000 1.195 676 I CA -0.705 60.684 61.300 0.149 0.000 1.001 676 I CB 2.468 40.532 38.000 0.108 0.000 1.244 676 I HN 0.120 nan 8.210 nan 0.000 0.437 677 S N 3.627 119.435 115.700 0.180 0.000 2.526 677 S HA 0.857 5.327 4.470 -0.001 0.000 0.293 677 S C -0.808 173.906 174.600 0.191 0.000 1.092 677 S CA -0.623 57.693 58.200 0.194 0.000 0.980 677 S CB 1.530 64.794 63.200 0.107 0.000 1.048 677 S HN 0.552 nan 8.310 nan 0.000 0.483 678 L N 2.075 123.440 121.223 0.237 0.000 2.409 678 L HA 0.681 5.020 4.340 -0.001 0.000 0.262 678 L C -0.487 176.479 176.870 0.160 0.000 0.992 678 L CA -0.663 54.288 54.840 0.186 0.000 0.817 678 L CB 2.347 44.530 42.059 0.207 0.000 1.350 678 L HN 0.520 nan 8.230 nan 0.000 0.411 679 R N 1.673 122.243 120.500 0.118 0.000 2.510 679 R HA 0.650 4.989 4.340 -0.001 0.000 0.287 679 R C -2.074 174.275 176.300 0.082 0.000 1.084 679 R CA -0.469 55.690 56.100 0.097 0.000 0.934 679 R CB 2.259 32.608 30.300 0.082 0.000 1.201 679 R HN 0.400 nan 8.270 nan 0.000 0.431 680 V N 4.724 124.685 119.914 0.078 0.000 2.435 680 V HA 0.582 4.701 4.120 -0.001 0.000 0.290 680 V C 1.061 177.189 176.094 0.057 0.000 1.030 680 V CA 0.684 63.025 62.300 0.068 0.000 0.881 680 V CB 1.096 32.960 31.823 0.069 0.000 0.983 680 V HN 1.117 nan 8.190 nan 0.000 0.445 681 G N 5.131 113.962 108.800 0.052 0.000 2.574 681 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.286 681 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.286 681 G C 0.454 175.378 174.900 0.040 0.000 1.212 681 G CA 0.548 45.675 45.100 0.044 0.000 0.979 681 G HN 0.668 nan 8.290 nan 0.000 0.557 682 N N 2.290 121.010 118.700 0.033 0.000 2.238 682 N HA 0.280 5.019 4.740 -0.001 0.000 0.222 682 N C 1.141 176.665 175.510 0.023 0.000 1.133 682 N CA 0.884 53.950 53.050 0.026 0.000 0.854 682 N CB 0.528 39.028 38.487 0.021 0.000 1.041 682 N HN 0.810 nan 8.380 nan 0.000 0.510 683 G N 1.688 110.506 108.800 0.030 0.000 2.489 683 G HA2 0.213 4.172 3.960 -0.001 0.000 0.271 683 G HA3 0.213 4.172 3.960 -0.001 0.000 0.271 683 G C -2.343 172.573 174.900 0.026 0.000 1.427 683 G CA -0.581 44.535 45.100 0.028 0.000 1.057 683 G HN -0.001 nan 8.290 nan 0.000 0.532 684 P HA 0.205 nan 4.420 nan 0.000 0.272 684 P C -0.566 176.760 177.300 0.044 0.000 1.230 684 P CA 0.060 63.172 63.100 0.019 0.000 0.788 684 P CB 0.863 32.570 31.700 0.011 0.000 0.949 685 T N 2.312 116.892 114.554 0.042 0.000 2.758 685 T HA 0.472 4.821 4.350 -0.001 0.000 0.285 685 T C -0.003 174.742 174.700 0.076 0.000 0.981 685 T CA -0.375 61.775 62.100 0.083 0.000 0.965 685 T CB 0.116 69.050 68.868 0.111 0.000 0.927 685 T HN 0.178 nan 8.240 nan 0.000 0.448 686 L N 2.673 123.945 121.223 0.081 0.000 2.329 686 L HA 0.796 5.136 4.340 -0.001 0.000 0.279 686 L C 0.201 177.018 176.870 -0.088 0.000 1.014 686 L CA -1.161 53.650 54.840 -0.048 0.000 0.814 686 L CB 1.540 43.563 42.059 -0.060 0.000 1.257 686 L HN 0.635 nan 8.230 nan 0.000 0.424 687 A N 2.995 125.668 122.820 -0.244 0.000 2.337 687 A HA 0.877 5.196 4.320 -0.001 0.000 0.329 687 A C -1.208 176.125 177.584 -0.419 0.000 1.146 687 A CA -0.305 51.636 52.037 -0.159 0.000 0.800 687 A CB 0.841 19.787 19.000 -0.089 0.000 1.220 687 A HN 0.498 nan 8.150 nan 0.000 0.472 688 F N 0.654 120.644 119.950 0.067 0.000 2.563 688 F HA 0.537 5.064 4.527 -0.001 0.000 0.316 688 F C 1.045 176.890 175.800 0.076 0.000 1.076 688 F CA -0.331 57.727 58.000 0.095 0.000 0.921 688 F CB 2.173 41.233 39.000 0.100 0.000 1.209 688 F HN 0.670 nan 8.300 nan 0.000 0.462 689 S N -0.066 115.790 115.700 0.259 0.000 2.608 689 S HA 0.118 4.587 4.470 -0.001 0.000 0.261 689 S C 1.023 175.729 174.600 0.177 0.000 1.314 689 S CA -0.097 58.203 58.200 0.168 0.000 0.992 689 S CB 0.782 64.079 63.200 0.162 0.000 0.935 689 S HN 0.857 nan 8.310 nan 0.000 0.564 690 E N -0.059 120.213 120.200 0.119 0.000 2.401 690 E HA -0.210 4.140 4.350 -0.001 0.000 0.199 690 E C 1.263 177.928 176.600 0.108 0.000 1.023 690 E CA 1.038 57.499 56.400 0.101 0.000 0.859 690 E CB -0.389 29.355 29.700 0.073 0.000 0.780 690 E HN 0.767 nan 8.360 nan 0.000 0.523 691 Q N -0.080 119.800 119.800 0.133 0.000 2.320 691 Q HA 0.208 4.547 4.340 -0.001 0.000 0.201 691 Q C 0.778 176.873 176.000 0.158 0.000 0.910 691 Q CA 0.455 56.337 55.803 0.131 0.000 0.946 691 Q CB 0.985 29.802 28.738 0.132 0.000 1.062 691 Q HN 0.487 nan 8.270 nan 0.000 0.503 692 G N 0.443 109.358 108.800 0.192 0.000 2.136 692 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.242 692 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.242 692 G C -0.297 174.837 174.900 0.389 0.000 0.989 692 G CA -0.157 45.066 45.100 0.205 0.000 0.682 692 G HN 0.265 nan 8.290 nan 0.000 0.522 693 L N -0.166 121.324 121.223 0.446 0.000 2.329 693 L HA 0.671 5.011 4.340 -0.001 0.000 0.279 693 L C 0.770 177.939 176.870 0.497 0.000 1.014 693 L CA -1.401 53.745 54.840 0.510 0.000 0.814 693 L CB 1.632 43.896 42.059 0.342 0.000 1.257 693 L HN 0.131 nan 8.230 nan 0.000 0.424 694 L N 3.390 124.883 121.223 0.450 0.000 2.559 694 L HA -0.054 4.286 4.340 -0.001 0.000 0.282 694 L C 1.054 177.983 176.870 0.099 0.000 1.232 694 L CA 0.954 55.795 54.840 0.001 0.000 0.885 694 L CB 0.199 42.302 42.059 0.074 0.000 1.131 694 L HN 0.797 nan 8.230 nan 0.000 0.498 695 K N 1.362 121.716 120.400 -0.076 0.000 2.474 695 K HA 0.327 4.646 4.320 -0.001 0.000 0.202 695 K C -0.060 176.475 176.600 -0.110 0.000 1.248 695 K CA 0.313 56.575 56.287 -0.042 0.000 0.946 695 K CB 0.429 32.883 32.500 -0.076 0.000 1.102 695 K HN 0.605 nan 8.250 nan 0.000 0.541 696 S N 0.320 115.932 115.700 -0.147 0.000 2.565 696 S HA 0.597 5.066 4.470 -0.001 0.000 0.269 696 S C -1.160 173.382 174.600 -0.096 0.000 1.153 696 S CA -1.011 57.130 58.200 -0.099 0.000 0.835 696 S CB 1.330 64.516 63.200 -0.024 0.000 1.122 696 S HN 0.174 nan 8.310 nan 0.000 0.462 697 I N 1.277 121.811 120.570 -0.060 0.000 2.499 697 I HA 0.451 4.620 4.170 -0.001 0.000 0.288 697 I C -0.698 175.389 176.117 -0.050 0.000 1.048 697 I CA -0.365 60.904 61.300 -0.052 0.000 1.062 697 I CB 2.181 40.138 38.000 -0.071 0.000 1.238 697 I HN 0.747 nan 8.210 nan 0.000 0.426 698 Q N 6.063 125.831 119.800 -0.054 0.000 2.368 698 Q HA 0.423 4.763 4.340 -0.001 0.000 0.263 698 Q C 0.022 175.961 176.000 -0.102 0.000 1.009 698 Q CA -0.537 55.164 55.803 -0.170 0.000 0.818 698 Q CB 1.705 30.228 28.738 -0.358 0.000 1.239 698 Q HN 0.776 nan 8.270 nan 0.000 0.464 699 L N 2.046 123.212 121.223 -0.095 0.000 2.056 699 L HA -0.038 4.301 4.340 -0.001 0.000 0.207 699 L C 1.185 178.025 176.870 -0.050 0.000 1.078 699 L CA 1.368 56.172 54.840 -0.060 0.000 0.749 699 L CB -0.334 41.691 42.059 -0.057 0.000 0.901 699 L HN 0.689 nan 8.230 nan 0.000 0.433 700 T N -6.784 107.731 114.554 -0.065 0.000 2.838 700 T HA 0.207 4.556 4.350 -0.001 0.000 0.292 700 T C 0.529 175.196 174.700 -0.055 0.000 1.113 700 T CA -0.848 61.225 62.100 -0.045 0.000 1.008 700 T CB 1.845 70.691 68.868 -0.037 0.000 1.259 700 T HN -0.162 nan 8.240 nan 0.000 0.520 701 Q N 1.040 120.823 119.800 -0.029 0.000 2.096 701 Q HA -0.196 4.143 4.340 -0.001 0.000 0.208 701 Q C 1.894 177.874 176.000 -0.033 0.000 0.993 701 Q CA 2.710 58.502 55.803 -0.018 0.000 0.862 701 Q CB -0.447 28.290 28.738 -0.002 0.000 0.915 701 Q HN 0.930 nan 8.270 nan 0.000 0.416 702 D N -0.209 120.170 120.400 -0.036 0.000 2.194 702 D HA -0.062 4.577 4.640 -0.001 0.000 0.204 702 D C 0.906 177.169 176.300 -0.062 0.000 0.964 702 D CA 0.615 54.594 54.000 -0.036 0.000 0.846 702 D CB -0.225 40.560 40.800 -0.025 0.000 0.962 702 D HN 0.106 nan 8.370 nan 0.000 0.490 703 S N 1.829 117.478 115.700 -0.085 0.000 2.580 703 S HA 0.194 4.664 4.470 -0.001 0.000 0.266 703 S C -2.232 172.262 174.600 -0.177 0.000 1.354 703 S CA -1.009 57.127 58.200 -0.107 0.000 1.008 703 S CB 0.557 63.696 63.200 -0.101 0.000 0.898 703 S HN 0.034 nan 8.310 nan 0.000 0.555 704 P HA 0.194 nan 4.420 nan 0.000 0.276 704 P C -0.771 176.380 177.300 -0.249 0.000 1.244 704 P CA -0.343 62.665 63.100 -0.153 0.000 0.801 704 P CB 0.247 31.913 31.700 -0.056 0.000 1.006 705 H N 0.504 119.558 119.070 -0.027 0.000 2.911 705 H HA 0.174 4.729 4.556 -0.001 0.000 0.273 705 H C -0.104 175.189 175.328 -0.057 0.000 1.157 705 H CA -0.290 55.732 56.048 -0.042 0.000 1.402 705 H CB -0.052 29.688 29.762 -0.038 0.000 1.463 705 H HN 0.086 nan 8.280 nan 0.000 0.475 706 V N 7.080 126.980 119.914 -0.024 0.000 2.470 706 V HA 0.067 4.187 4.120 -0.001 0.000 0.276 706 V C -1.875 174.166 176.094 -0.089 0.000 1.040 706 V CA -1.556 60.712 62.300 -0.053 0.000 1.008 706 V CB 0.794 32.576 31.823 -0.068 0.000 0.990 706 V HN 0.543 nan 8.190 nan 0.000 0.477 707 P HA 0.165 nan 4.420 nan 0.000 0.266 707 P C -0.796 176.365 177.300 -0.232 0.000 1.215 707 P CA 0.263 63.220 63.100 -0.239 0.000 0.763 707 P CB 0.471 31.881 31.700 -0.484 0.000 0.806 708 V N 4.301 124.106 119.914 -0.182 0.000 2.555 708 V HA 0.204 4.323 4.120 -0.001 0.000 0.283 708 V C -0.632 175.367 176.094 -0.158 0.000 1.020 708 V CA -0.419 61.760 62.300 -0.202 0.000 0.883 708 V CB 1.101 32.794 31.823 -0.217 0.000 1.030 708 V HN 0.612 nan 8.190 nan 0.000 0.448 709 H N 4.543 123.453 119.070 -0.268 0.000 2.481 709 H HA 0.567 5.123 4.556 -0.001 0.000 0.333 709 H C -1.415 173.786 175.328 -0.211 0.000 1.066 709 H CA -0.681 55.255 56.048 -0.188 0.000 1.209 709 H CB 1.330 31.023 29.762 -0.115 0.000 1.445 709 H HN 0.450 nan 8.280 nan 0.000 0.488 710 F N 3.771 123.458 119.950 -0.438 0.000 2.396 710 F HA 0.313 4.840 4.527 -0.001 0.000 0.343 710 F C 0.296 175.600 175.800 -0.828 0.000 1.104 710 F CA -0.058 57.626 58.000 -0.526 0.000 1.161 710 F CB 1.117 39.923 39.000 -0.322 0.000 1.146 710 F HN 0.425 nan 8.300 nan 0.000 0.522 711 K N 3.414 123.547 120.400 -0.444 0.000 2.523 711 K HA 0.495 4.815 4.320 -0.001 0.000 0.257 711 K C -1.958 174.370 176.600 -0.454 0.000 0.932 711 K CA -0.558 55.502 56.287 -0.378 0.000 0.812 711 K CB 1.328 33.665 32.500 -0.271 0.000 1.326 711 K HN 0.395 nan 8.250 nan 0.000 0.433 712 F N 3.939 123.807 119.950 -0.137 0.000 2.436 712 F HA 0.501 5.027 4.527 -0.001 0.000 0.340 712 F C -0.333 175.421 175.800 -0.078 0.000 1.113 712 F CA -0.553 57.381 58.000 -0.110 0.000 1.022 712 F CB 1.168 40.089 39.000 -0.132 0.000 1.128 712 F HN 0.250 nan 8.300 nan 0.000 0.466 713 L N 2.667 123.933 121.223 0.071 0.000 2.322 713 L HA 0.621 4.960 4.340 -0.001 0.000 0.252 713 L C -1.172 175.689 176.870 -0.014 0.000 1.055 713 L CA -1.031 53.800 54.840 -0.015 0.000 0.849 713 L CB 2.303 44.291 42.059 -0.118 0.000 1.446 713 L HN 0.474 nan 8.230 nan 0.000 0.416 714 K N -0.288 120.067 120.400 -0.075 0.000 2.427 714 K HA 0.656 4.976 4.320 -0.001 0.000 0.252 714 K C -1.798 174.739 176.600 -0.105 0.000 0.931 714 K CA -0.810 55.462 56.287 -0.025 0.000 0.793 714 K CB 1.830 34.348 32.500 0.029 0.000 1.211 714 K HN 0.258 nan 8.250 nan 0.000 0.426 715 Y N 0.514 120.876 120.300 0.103 0.000 2.419 715 Y HA 0.516 5.066 4.550 -0.001 0.000 0.328 715 Y C 1.003 176.963 175.900 0.100 0.000 1.162 715 Y CA 0.034 58.208 58.100 0.122 0.000 1.174 715 Y CB 2.141 40.742 38.460 0.234 0.000 1.228 715 Y HN 0.916 nan 8.280 nan 0.000 0.473 716 G N 0.454 109.406 108.800 0.253 0.000 2.971 716 G HA2 0.636 4.595 3.960 -0.001 0.000 0.235 716 G HA3 0.636 4.595 3.960 -0.001 0.000 0.235 716 G C -1.464 173.516 174.900 0.133 0.000 1.351 716 G CA -0.732 44.460 45.100 0.153 0.000 1.039 716 G HN 0.439 nan 8.290 nan 0.000 0.563 717 V N -0.206 119.757 119.914 0.081 0.000 2.864 717 V HA 0.473 4.592 4.120 -0.001 0.000 0.314 717 V C -0.034 176.070 176.094 0.017 0.000 1.073 717 V CA -0.868 61.460 62.300 0.046 0.000 0.956 717 V CB 1.972 33.822 31.823 0.045 0.000 1.023 717 V HN 0.675 nan 8.190 nan 0.000 0.435 718 R N 1.251 121.737 120.500 -0.024 0.000 2.491 718 R HA 0.194 4.534 4.340 -0.001 0.000 0.283 718 R C 1.194 177.480 176.300 -0.023 0.000 1.072 718 R CA 0.421 56.486 56.100 -0.057 0.000 1.048 718 R CB 0.648 30.848 30.300 -0.167 0.000 0.983 718 R HN 0.917 nan 8.270 nan 0.000 0.450 719 S N 1.453 117.175 115.700 0.037 0.000 2.501 719 S HA -0.043 4.426 4.470 -0.001 0.000 0.220 719 S C 0.599 175.271 174.600 0.119 0.000 0.997 719 S CA 0.102 58.350 58.200 0.080 0.000 0.919 719 S CB -0.192 63.069 63.200 0.102 0.000 0.778 719 S HN 0.772 nan 8.310 nan 0.000 0.523 720 H N -0.627 118.445 119.070 0.002 0.000 2.821 720 H HA 0.653 5.209 4.556 -0.001 0.000 0.373 720 H C 0.542 175.868 175.328 -0.004 0.000 1.165 720 H CA -0.332 55.715 56.048 -0.001 0.000 1.154 720 H CB 1.087 30.848 29.762 -0.001 0.000 1.765 720 H HN 0.434 nan 8.280 nan 0.000 0.549 721 G N 1.784 110.535 108.800 -0.081 0.000 2.615 721 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.218 721 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.218 721 G C -1.122 173.714 174.900 -0.106 0.000 1.339 721 G CA -0.190 44.827 45.100 -0.137 0.000 0.884 721 G HN 0.788 nan 8.290 nan 0.000 0.559 722 D N 1.370 121.708 120.400 -0.105 0.000 2.389 722 D HA 0.436 5.076 4.640 -0.001 0.000 0.247 722 D C 1.002 177.256 176.300 -0.077 0.000 1.128 722 D CA 0.362 54.316 54.000 -0.076 0.000 0.884 722 D CB 0.566 41.324 40.800 -0.070 0.000 1.194 722 D HN 0.492 nan 8.370 nan 0.000 0.441 723 R N 1.122 121.591 120.500 -0.052 0.000 2.474 723 R HA 0.348 4.687 4.340 -0.001 0.000 0.295 723 R C 0.119 176.404 176.300 -0.025 0.000 0.980 723 R CA -0.696 55.384 56.100 -0.034 0.000 0.934 723 R CB 1.362 31.654 30.300 -0.014 0.000 1.101 723 R HN 0.323 nan 8.270 nan 0.000 0.469 724 S N 0.344 116.041 115.700 -0.005 0.000 2.566 724 S HA 0.316 4.785 4.470 -0.001 0.000 0.280 724 S C 0.477 175.091 174.600 0.024 0.000 1.343 724 S CA 0.075 58.289 58.200 0.024 0.000 1.036 724 S CB 1.151 64.399 63.200 0.080 0.000 0.866 724 S HN 0.794 nan 8.310 nan 0.000 0.526 725 G N -0.266 108.549 108.800 0.024 0.000 2.731 725 G HA2 0.576 4.535 3.960 -0.001 0.000 0.309 725 G HA3 0.576 4.535 3.960 -0.001 0.000 0.309 725 G C 0.501 175.415 174.900 0.023 0.000 1.273 725 G CA -0.108 45.013 45.100 0.035 0.000 0.798 725 G HN 0.712 nan 8.290 nan 0.000 0.509 726 A N -1.234 121.587 122.820 0.002 0.000 1.978 726 A HA 0.064 4.384 4.320 -0.001 0.000 0.220 726 A C 1.918 179.406 177.584 -0.161 0.000 1.170 726 A CA 2.117 54.095 52.037 -0.098 0.000 0.636 726 A CB -0.647 18.229 19.000 -0.207 0.000 0.810 726 A HN 0.602 nan 8.150 nan 0.000 0.448 727 Y N -0.789 119.437 120.300 -0.123 0.000 2.301 727 Y HA 0.331 4.880 4.550 -0.001 0.000 0.295 727 Y C 0.911 176.679 175.900 -0.221 0.000 1.126 727 Y CA 0.093 58.039 58.100 -0.257 0.000 1.154 727 Y CB -0.151 37.795 38.460 -0.858 0.000 1.075 727 Y HN 0.028 nan 8.280 nan 0.000 0.534 728 L N 0.457 121.621 121.223 -0.099 0.000 2.334 728 L HA 0.220 4.560 4.340 -0.001 0.000 0.277 728 L C -1.125 175.783 176.870 0.063 0.000 1.075 728 L CA -0.605 54.180 54.840 -0.092 0.000 0.804 728 L CB 0.993 42.948 42.059 -0.173 0.000 1.174 728 L HN 0.020 nan 8.230 nan 0.000 0.438 729 F N 4.773 124.657 119.950 -0.111 0.000 2.375 729 F HA 0.495 5.022 4.527 -0.001 0.000 0.361 729 F C -0.764 174.953 175.800 -0.138 0.000 1.117 729 F CA -1.199 56.701 58.000 -0.167 0.000 1.037 729 F CB 0.696 39.533 39.000 -0.271 0.000 1.192 729 F HN 0.204 nan 8.300 nan 0.000 0.452 730 L N 9.176 130.304 121.223 -0.160 0.000 2.529 730 L HA 0.321 4.661 4.340 -0.001 0.000 0.246 730 L C -2.358 174.334 176.870 -0.296 0.000 1.394 730 L CA -1.727 52.958 54.840 -0.259 0.000 0.906 730 L CB 1.128 43.116 42.059 -0.118 0.000 1.170 730 L HN 0.396 nan 8.230 nan 0.000 0.501 731 P HA 0.023 nan 4.420 nan 0.000 0.272 731 P C -0.546 176.673 177.300 -0.134 0.000 1.223 731 P CA -0.252 62.658 63.100 -0.317 0.000 0.784 731 P CB 0.613 31.980 31.700 -0.556 0.000 0.923 732 N N 1.036 119.733 118.700 -0.005 0.000 3.250 732 N HA 0.280 5.020 4.740 -0.001 0.000 0.307 732 N C 0.684 176.218 175.510 0.039 0.000 1.355 732 N CA -0.161 52.894 53.050 0.008 0.000 1.192 732 N CB -0.793 37.713 38.487 0.031 0.000 1.478 732 N HN 0.758 nan 8.380 nan 0.000 0.543 733 G N 0.893 109.708 108.800 0.025 0.000 2.710 733 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.668 733 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.668 733 G C -3.058 171.919 174.900 0.129 0.000 1.320 733 G CA -1.117 44.013 45.100 0.050 0.000 0.860 733 G HN 0.378 nan 8.290 nan 0.000 0.538 734 P HA 0.454 nan 4.420 nan 0.000 0.269 734 P C 0.537 177.807 177.300 -0.050 0.000 1.217 734 P CA 0.660 63.825 63.100 0.109 0.000 0.783 734 P CB 0.406 32.135 31.700 0.047 0.000 0.898 735 A N 2.041 124.645 122.820 -0.361 0.000 2.425 735 A HA 0.385 4.704 4.320 -0.001 0.000 0.242 735 A C 0.170 177.609 177.584 -0.242 0.000 1.077 735 A CA 0.310 51.985 52.037 -0.602 0.000 0.781 735 A CB -0.236 18.102 19.000 -1.103 0.000 1.020 735 A HN 0.479 nan 8.150 nan 0.000 0.494 736 S N 2.111 117.705 115.700 -0.177 0.000 2.501 736 S HA 0.587 5.057 4.470 -0.001 0.000 0.301 736 S C -2.702 171.861 174.600 -0.062 0.000 1.096 736 S CA -1.009 57.142 58.200 -0.081 0.000 1.063 736 S CB 1.358 64.534 63.200 -0.040 0.000 1.042 736 S HN 0.559 nan 8.310 nan 0.000 0.494 737 P HA 0.104 nan 4.420 nan 0.000 0.268 737 P C -0.725 176.583 177.300 0.012 0.000 1.205 737 P CA -0.308 62.790 63.100 -0.003 0.000 0.771 737 P CB 0.325 32.035 31.700 0.016 0.000 0.858 738 V N 3.908 123.842 119.914 0.034 0.000 2.572 738 V HA 0.001 4.120 4.120 -0.001 0.000 0.291 738 V C 0.963 177.074 176.094 0.028 0.000 1.039 738 V CA 0.162 62.480 62.300 0.031 0.000 1.055 738 V CB -0.018 31.831 31.823 0.044 0.000 0.969 738 V HN 0.478 nan 8.190 nan 0.000 0.482 739 E N 4.782 124.992 120.200 0.017 0.000 2.217 739 E HA 0.161 4.510 4.350 -0.001 0.000 0.279 739 E C 0.552 177.161 176.600 0.015 0.000 1.068 739 E CA -0.009 56.403 56.400 0.020 0.000 0.882 739 E CB 1.227 30.936 29.700 0.016 0.000 1.039 739 E HN 0.536 nan 8.360 nan 0.000 0.418 740 L N 1.984 123.222 121.223 0.025 0.000 2.529 740 L HA 0.111 4.450 4.340 -0.001 0.000 0.223 740 L C 1.388 178.273 176.870 0.025 0.000 1.113 740 L CA 0.441 55.294 54.840 0.020 0.000 0.861 740 L CB -0.455 41.627 42.059 0.038 0.000 1.012 740 L HN 0.746 nan 8.230 nan 0.000 0.461 741 G N 0.996 109.814 108.800 0.030 0.000 2.552 741 G HA2 -0.405 3.555 3.960 -0.001 0.000 0.265 741 G HA3 -0.405 3.555 3.960 -0.001 0.000 0.265 741 G C -0.020 174.906 174.900 0.043 0.000 1.234 741 G CA 0.256 45.377 45.100 0.035 0.000 0.944 741 G HN 0.360 nan 8.290 nan 0.000 0.568 742 Q N 1.508 121.338 119.800 0.049 0.000 2.700 742 Q HA 0.510 4.850 4.340 -0.001 0.000 0.249 742 Q C -2.090 173.950 176.000 0.067 0.000 1.033 742 Q CA -1.562 54.274 55.803 0.055 0.000 0.804 742 Q CB 1.175 29.943 28.738 0.051 0.000 1.164 742 Q HN 0.660 nan 8.270 nan 0.000 0.500 743 P HA 0.027 nan 4.420 nan 0.000 0.272 743 P C -0.546 176.823 177.300 0.115 0.000 1.223 743 P CA -0.257 62.894 63.100 0.085 0.000 0.784 743 P CB 1.058 32.790 31.700 0.053 0.000 0.923 744 V N 2.398 122.416 119.914 0.174 0.000 2.488 744 V HA 0.123 4.243 4.120 -0.001 0.000 0.277 744 V C 0.527 176.774 176.094 0.255 0.000 1.046 744 V CA -0.213 62.212 62.300 0.208 0.000 0.986 744 V CB 1.197 33.183 31.823 0.273 0.000 0.989 744 V HN 0.267 nan 8.190 nan 0.000 0.475 745 V N 6.414 126.424 119.914 0.159 0.000 2.448 745 V HA 0.468 4.587 4.120 -0.001 0.000 0.295 745 V C -0.423 175.692 176.094 0.036 0.000 1.025 745 V CA -0.635 61.736 62.300 0.118 0.000 0.859 745 V CB 1.693 33.547 31.823 0.052 0.000 0.988 745 V HN 0.672 nan 8.190 nan 0.000 0.431 746 L N 6.747 127.983 121.223 0.022 0.000 2.305 746 L HA 0.735 5.075 4.340 -0.001 0.000 0.284 746 L C -0.623 176.133 176.870 -0.191 0.000 1.013 746 L CA 0.019 54.747 54.840 -0.188 0.000 0.819 746 L CB 1.736 43.583 42.059 -0.353 0.000 1.227 746 L HN 0.439 nan 8.230 nan 0.000 0.417 747 V N 4.076 123.869 119.914 -0.201 0.000 2.384 747 V HA 0.554 4.673 4.120 -0.001 0.000 0.287 747 V C 0.003 176.029 176.094 -0.114 0.000 1.020 747 V CA -0.403 61.801 62.300 -0.161 0.000 0.850 747 V CB 1.564 33.309 31.823 -0.129 0.000 0.987 747 V HN 0.843 nan 8.190 nan 0.000 0.436 748 T N 5.266 119.782 114.554 -0.062 0.000 2.792 748 T HA 0.443 4.792 4.350 -0.001 0.000 0.280 748 T C -0.406 174.323 174.700 0.048 0.000 0.990 748 T CA -0.571 61.548 62.100 0.032 0.000 0.960 748 T CB 1.163 70.089 68.868 0.097 0.000 0.939 748 T HN 0.656 nan 8.240 nan 0.000 0.439 749 K N 2.388 122.833 120.400 0.075 0.000 2.450 749 K HA 0.674 4.993 4.320 -0.001 0.000 0.257 749 K C -0.333 176.327 176.600 0.099 0.000 0.953 749 K CA -0.571 55.760 56.287 0.074 0.000 0.844 749 K CB 0.945 33.483 32.500 0.062 0.000 1.103 749 K HN 0.788 nan 8.250 nan 0.000 0.429 750 G N 2.142 110.998 108.800 0.093 0.000 2.605 750 G HA2 0.173 4.133 3.960 -0.001 0.000 0.296 750 G HA3 0.173 4.133 3.960 -0.001 0.000 0.296 750 G C -0.221 174.725 174.900 0.076 0.000 1.304 750 G CA -0.617 44.539 45.100 0.094 0.000 0.941 750 G HN 0.649 nan 8.290 nan 0.000 0.475 751 K N -0.220 120.221 120.400 0.068 0.000 2.148 751 K HA 0.115 4.435 4.320 -0.001 0.000 0.204 751 K C 1.645 178.282 176.600 0.061 0.000 1.050 751 K CA 0.953 57.277 56.287 0.061 0.000 0.942 751 K CB -0.127 32.406 32.500 0.054 0.000 0.724 751 K HN 0.439 nan 8.250 nan 0.000 0.446 752 L N -0.632 120.629 121.223 0.063 0.000 2.408 752 L HA 0.206 4.545 4.340 -0.001 0.000 0.215 752 L C 0.535 177.441 176.870 0.060 0.000 1.081 752 L CA 0.088 54.965 54.840 0.061 0.000 0.840 752 L CB 0.394 42.492 42.059 0.065 0.000 1.002 752 L HN 0.162 nan 8.230 nan 0.000 0.468 753 E N -0.346 119.894 120.200 0.067 0.000 2.321 753 E HA 0.396 4.746 4.350 -0.001 0.000 0.281 753 E C -1.495 175.150 176.600 0.075 0.000 0.910 753 E CA -0.209 56.231 56.400 0.067 0.000 0.770 753 E CB 2.152 31.890 29.700 0.063 0.000 1.225 753 E HN -0.133 nan 8.360 nan 0.000 0.417 754 S N 1.161 116.902 115.700 0.070 0.000 2.634 754 S HA 0.792 5.261 4.470 -0.001 0.000 0.296 754 S C -1.274 173.351 174.600 0.042 0.000 1.104 754 S CA -0.637 57.600 58.200 0.061 0.000 0.920 754 S CB 1.795 65.033 63.200 0.062 0.000 1.111 754 S HN 0.630 nan 8.310 nan 0.000 0.493 755 S N -0.182 115.519 115.700 0.001 0.000 2.596 755 S HA 0.796 5.265 4.470 -0.001 0.000 0.270 755 S C -1.745 172.758 174.600 -0.162 0.000 1.155 755 S CA -0.706 57.468 58.200 -0.044 0.000 0.827 755 S CB 1.164 64.358 63.200 -0.011 0.000 1.130 755 S HN 0.474 nan 8.310 nan 0.000 0.467 756 V N 1.647 121.404 119.914 -0.262 0.000 2.577 756 V HA 0.752 4.871 4.120 -0.001 0.000 0.303 756 V C -0.581 175.379 176.094 -0.223 0.000 1.042 756 V CA -0.414 61.659 62.300 -0.377 0.000 0.872 756 V CB 1.707 32.978 31.823 -0.921 0.000 0.998 756 V HN 0.992 nan 8.190 nan 0.000 0.423 757 S N 2.998 118.625 115.700 -0.122 0.000 2.521 757 S HA 0.792 5.262 4.470 -0.001 0.000 0.295 757 S C -0.927 173.622 174.600 -0.085 0.000 1.098 757 S CA -0.603 57.539 58.200 -0.097 0.000 0.999 757 S CB 2.128 65.380 63.200 0.088 0.000 1.034 757 S HN 0.690 nan 8.310 nan 0.000 0.483 758 V N 2.136 121.879 119.914 -0.284 0.000 2.760 758 V HA 0.824 4.944 4.120 -0.001 0.000 0.309 758 V C -0.052 175.698 176.094 -0.572 0.000 1.077 758 V CA -0.431 61.719 62.300 -0.250 0.000 0.910 758 V CB 1.834 33.637 31.823 -0.034 0.000 1.008 758 V HN 0.987 nan 8.190 nan 0.000 0.424 759 G N 6.951 115.446 108.800 -0.508 0.000 2.530 759 G HA2 0.529 4.488 3.960 -0.001 0.000 0.313 759 G HA3 0.529 4.488 3.960 -0.001 0.000 0.313 759 G C -0.546 174.237 174.900 -0.196 0.000 0.971 759 G CA -0.322 44.514 45.100 -0.439 0.000 1.237 759 G HN 0.699 nan 8.290 nan 0.000 0.446 760 L N 2.717 123.781 121.223 -0.265 0.000 2.387 760 L HA 0.411 4.750 4.340 -0.001 0.000 0.266 760 L C -2.063 174.680 176.870 -0.212 0.000 1.059 760 L CA -2.363 52.346 54.840 -0.218 0.000 0.801 760 L CB 1.959 43.817 42.059 -0.335 0.000 1.223 760 L HN 0.204 nan 8.230 nan 0.000 0.456 761 P HA 0.084 nan 4.420 nan 0.000 0.267 761 P C 0.056 177.244 177.300 -0.187 0.000 1.209 761 P CA 0.352 63.361 63.100 -0.151 0.000 0.763 761 P CB 0.948 32.588 31.700 -0.099 0.000 0.816 762 S N -0.342 115.251 115.700 -0.178 0.000 2.981 762 S HA -0.119 4.350 4.470 -0.001 0.000 0.274 762 S C 0.208 174.681 174.600 -0.212 0.000 1.297 762 S CA 1.293 59.396 58.200 -0.161 0.000 1.266 762 S CB -1.599 61.533 63.200 -0.113 0.000 1.542 762 S HN 0.409 nan 8.310 nan 0.000 0.674 763 V N 1.174 120.904 119.914 -0.307 0.000 2.655 763 V HA 0.435 4.554 4.120 -0.001 0.000 0.301 763 V C -0.253 175.596 176.094 -0.407 0.000 1.082 763 V CA -0.812 61.262 62.300 -0.377 0.000 0.899 763 V CB 2.125 33.558 31.823 -0.651 0.000 1.014 763 V HN 0.093 nan 8.190 nan 0.000 0.429 764 V N 4.083 123.767 119.914 -0.382 0.000 2.368 764 V HA 0.325 4.445 4.120 -0.001 0.000 0.266 764 V C -0.150 175.717 176.094 -0.378 0.000 1.045 764 V CA -0.351 61.620 62.300 -0.549 0.000 0.899 764 V CB 0.750 32.125 31.823 -0.747 0.000 1.006 764 V HN 0.919 nan 8.190 nan 0.000 0.470 765 H N 4.448 123.251 119.070 -0.445 0.000 2.467 765 H HA 0.585 5.141 4.556 -0.001 0.000 0.326 765 H C -0.365 174.842 175.328 -0.203 0.000 1.094 765 H CA -0.148 55.743 56.048 -0.260 0.000 1.253 765 H CB 1.164 30.807 29.762 -0.198 0.000 1.439 765 H HN 0.694 nan 8.280 nan 0.000 0.479 766 Q N 3.838 123.316 119.800 -0.536 0.000 2.323 766 Q HA 0.381 4.720 4.340 -0.001 0.000 0.271 766 Q C -1.376 174.413 176.000 -0.351 0.000 1.048 766 Q CA -0.893 54.691 55.803 -0.365 0.000 0.792 766 Q CB 1.589 30.222 28.738 -0.176 0.000 1.280 766 Q HN 0.742 nan 8.270 nan 0.000 0.441 767 T N 4.956 119.393 114.554 -0.195 0.000 2.772 767 T HA 0.529 4.879 4.350 -0.001 0.000 0.288 767 T C -0.343 174.384 174.700 0.044 0.000 0.994 767 T CA -0.322 61.784 62.100 0.009 0.000 0.951 767 T CB 0.269 69.305 68.868 0.281 0.000 0.933 767 T HN 0.459 nan 8.240 nan 0.000 0.447 768 I N 3.774 124.384 120.570 0.066 0.000 2.404 768 I HA 0.489 4.658 4.170 -0.001 0.000 0.293 768 I C -0.164 176.007 176.117 0.091 0.000 0.992 768 I CA -0.800 60.538 61.300 0.063 0.000 1.149 768 I CB 1.689 39.717 38.000 0.046 0.000 1.315 768 I HN 0.386 nan 8.210 nan 0.000 0.446 769 M N 5.985 125.638 119.600 0.089 0.000 2.253 769 M HA 0.485 4.964 4.480 -0.001 0.000 0.314 769 M C 0.154 176.497 176.300 0.072 0.000 1.019 769 M CA -0.373 54.983 55.300 0.094 0.000 0.932 769 M CB 2.161 34.831 32.600 0.118 0.000 1.606 769 M HN 0.498 nan 8.290 nan 0.000 0.430 770 R N 1.094 121.631 120.500 0.061 0.000 2.565 770 R HA 0.357 4.697 4.340 -0.001 0.000 0.347 770 R C 0.857 177.186 176.300 0.048 0.000 1.010 770 R CA 0.257 56.387 56.100 0.050 0.000 1.126 770 R CB 1.074 31.396 30.300 0.036 0.000 1.331 770 R HN 1.152 nan 8.270 nan 0.000 0.552 771 G N -0.377 108.454 108.800 0.052 0.000 2.255 771 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.196 771 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.196 771 G C 0.292 175.215 174.900 0.039 0.000 0.998 771 G CA -0.401 44.726 45.100 0.046 0.000 0.656 771 G HN 0.520 nan 8.290 nan 0.000 0.490 772 G N -0.076 108.747 108.800 0.039 0.000 3.252 772 G HA2 0.797 4.757 3.960 -0.001 0.000 0.181 772 G HA3 0.797 4.757 3.960 -0.001 0.000 0.181 772 G C 0.395 175.317 174.900 0.037 0.000 1.187 772 G CA 0.441 45.560 45.100 0.031 0.000 0.886 772 G HN 1.518 nan 8.290 nan 0.000 0.615 773 A N 1.399 124.238 122.820 0.032 0.000 2.540 773 A HA 0.527 4.846 4.320 -0.001 0.000 0.239 773 A C -1.691 175.932 177.584 0.066 0.000 1.061 773 A CA -0.473 51.589 52.037 0.042 0.000 0.758 773 A CB -0.403 18.618 19.000 0.035 0.000 0.991 773 A HN 0.406 nan 8.150 nan 0.000 0.502 774 P HA 0.128 nan 4.420 nan 0.000 0.272 774 P C -0.495 176.878 177.300 0.122 0.000 1.240 774 P CA -0.200 62.968 63.100 0.114 0.000 0.791 774 P CB 0.659 32.451 31.700 0.153 0.000 0.978 775 E N 1.136 121.405 120.200 0.114 0.000 2.166 775 E HA 0.384 4.733 4.350 -0.001 0.000 0.275 775 E C -0.808 175.869 176.600 0.128 0.000 0.941 775 E CA -0.726 55.745 56.400 0.118 0.000 0.784 775 E CB 0.606 30.352 29.700 0.076 0.000 1.115 775 E HN 0.213 nan 8.360 nan 0.000 0.399 776 I N 4.137 124.816 120.570 0.182 0.000 2.404 776 I HA 0.415 4.584 4.170 -0.001 0.000 0.293 776 I C 0.008 176.242 176.117 0.194 0.000 0.992 776 I CA -0.616 60.767 61.300 0.138 0.000 1.149 776 I CB 1.295 39.385 38.000 0.150 0.000 1.315 776 I HN 0.563 nan 8.210 nan 0.000 0.446 777 R N 4.587 125.130 120.500 0.071 0.000 2.561 777 R HA 0.496 4.836 4.340 -0.001 0.000 0.297 777 R C -0.956 175.390 176.300 0.076 0.000 0.969 777 R CA -0.854 55.304 56.100 0.097 0.000 0.879 777 R CB 2.068 32.382 30.300 0.023 0.000 1.178 777 R HN 0.465 nan 8.270 nan 0.000 0.445 778 N N 2.589 121.394 118.700 0.174 0.000 2.407 778 N HA 0.205 4.944 4.740 -0.001 0.000 0.277 778 N C -1.295 174.218 175.510 0.005 0.000 0.995 778 N CA -0.699 52.425 53.050 0.123 0.000 0.903 778 N CB 1.918 40.580 38.487 0.291 0.000 1.218 778 N HN 0.325 nan 8.380 nan 0.000 0.487 779 L N 3.658 124.824 121.223 -0.096 0.000 2.282 779 L HA 0.384 4.724 4.340 -0.001 0.000 0.287 779 L C -1.024 175.763 176.870 -0.137 0.000 1.075 779 L CA -0.470 54.294 54.840 -0.126 0.000 0.839 779 L CB 0.488 42.460 42.059 -0.145 0.000 1.219 779 L HN 0.212 nan 8.230 nan 0.000 0.434 780 V N 4.559 124.397 119.914 -0.127 0.000 2.350 780 V HA 0.380 4.500 4.120 -0.001 0.000 0.276 780 V C -0.464 175.582 176.094 -0.080 0.000 1.028 780 V CA -0.496 61.746 62.300 -0.097 0.000 0.860 780 V CB 1.271 33.067 31.823 -0.045 0.000 0.990 780 V HN 0.681 nan 8.190 nan 0.000 0.453 781 D N 4.036 124.389 120.400 -0.079 0.000 2.408 781 D HA 0.261 4.900 4.640 -0.001 0.000 0.261 781 D C 0.562 176.834 176.300 -0.046 0.000 1.190 781 D CA -0.412 53.554 54.000 -0.056 0.000 0.910 781 D CB 1.365 42.127 40.800 -0.062 0.000 1.097 781 D HN 0.473 nan 8.370 nan 0.000 0.522 782 I N 2.367 122.927 120.570 -0.017 0.000 2.916 782 I HA 0.048 4.217 4.170 -0.001 0.000 0.267 782 I C 1.379 177.490 176.117 -0.009 0.000 1.263 782 I CA 1.136 62.432 61.300 -0.005 0.000 1.471 782 I CB -0.222 37.795 38.000 0.027 0.000 1.089 782 I HN 0.609 nan 8.210 nan 0.000 0.468 783 G N 0.854 109.647 108.800 -0.012 0.000 2.611 783 G HA2 -0.444 3.516 3.960 -0.001 0.000 0.301 783 G HA3 -0.444 3.516 3.960 -0.001 0.000 0.301 783 G C 0.597 175.500 174.900 0.005 0.000 1.233 783 G CA 0.528 45.622 45.100 -0.009 0.000 0.993 783 G HN 0.710 nan 8.290 nan 0.000 0.553 784 S N -0.057 115.646 115.700 0.005 0.000 2.583 784 S HA 0.523 4.993 4.470 -0.001 0.000 0.239 784 S C 0.872 175.481 174.600 0.016 0.000 0.966 784 S CA 0.113 58.321 58.200 0.014 0.000 0.973 784 S CB 0.040 63.250 63.200 0.016 0.000 0.794 784 S HN 0.692 nan 8.310 nan 0.000 0.463 785 L N 3.134 124.365 121.223 0.013 0.000 2.451 785 L HA 0.235 4.575 4.340 -0.001 0.000 0.272 785 L C -0.365 176.523 176.870 0.031 0.000 1.258 785 L CA -0.290 54.561 54.840 0.019 0.000 1.132 785 L CB -0.738 41.330 42.059 0.016 0.000 1.361 785 L HN 0.165 nan 8.230 nan 0.000 0.438 786 D N 2.580 122.998 120.400 0.031 0.000 2.382 786 D HA -0.004 4.636 4.640 -0.001 0.000 0.240 786 D C 0.730 177.056 176.300 0.044 0.000 1.146 786 D CA 0.145 54.167 54.000 0.037 0.000 0.897 786 D CB 0.324 41.144 40.800 0.032 0.000 1.197 786 D HN 0.298 nan 8.370 nan 0.000 0.432 787 N N 0.228 118.958 118.700 0.050 0.000 2.725 787 N HA -0.170 4.569 4.740 -0.001 0.000 0.251 787 N C -0.954 174.601 175.510 0.076 0.000 1.031 787 N CA 0.851 53.937 53.050 0.060 0.000 0.720 787 N CB -1.222 37.296 38.487 0.051 0.000 0.930 787 N HN 0.300 nan 8.380 nan 0.000 0.543 788 T N 0.388 114.991 114.554 0.081 0.000 2.916 788 T HA 0.407 4.756 4.350 -0.001 0.000 0.298 788 T C -0.324 174.444 174.700 0.112 0.000 1.031 788 T CA -0.732 61.426 62.100 0.098 0.000 0.993 788 T CB 2.326 71.237 68.868 0.071 0.000 1.045 788 T HN 0.030 nan 8.240 nan 0.000 0.454 789 E N 2.453 122.750 120.200 0.160 0.000 2.199 789 E HA 0.450 4.799 4.350 -0.001 0.000 0.265 789 E C -0.733 175.984 176.600 0.195 0.000 0.882 789 E CA -0.645 55.847 56.400 0.152 0.000 0.759 789 E CB 2.301 32.067 29.700 0.110 0.000 1.148 789 E HN 0.489 nan 8.360 nan 0.000 0.412 790 I N 2.862 123.530 120.570 0.163 0.000 2.331 790 I HA 0.214 4.383 4.170 -0.001 0.000 0.292 790 I C -0.227 176.024 176.117 0.224 0.000 0.998 790 I CA -0.743 60.665 61.300 0.181 0.000 1.267 790 I CB 1.370 39.464 38.000 0.157 0.000 1.386 790 I HN 0.198 nan 8.210 nan 0.000 0.476 791 V N 8.147 128.193 119.914 0.220 0.000 2.628 791 V HA 0.490 4.609 4.120 -0.001 0.000 0.306 791 V C -0.421 175.704 176.094 0.052 0.000 1.045 791 V CA -0.734 61.681 62.300 0.191 0.000 0.905 791 V CB 2.002 33.996 31.823 0.286 0.000 0.997 791 V HN 0.749 nan 8.190 nan 0.000 0.436 792 M N 7.316 126.872 119.600 -0.073 0.000 2.129 792 M HA 0.558 5.037 4.480 -0.001 0.000 0.348 792 M C -0.528 175.620 176.300 -0.254 0.000 1.116 792 M CA -0.401 54.623 55.300 -0.460 0.000 1.022 792 M CB 0.529 32.821 32.600 -0.513 0.000 1.599 792 M HN 0.753 nan 8.290 nan 0.000 0.449 793 R N 4.692 125.029 120.500 -0.271 0.000 2.637 793 R HA 0.701 5.040 4.340 -0.001 0.000 0.291 793 R C -1.921 174.281 176.300 -0.164 0.000 0.963 793 R CA -0.631 55.377 56.100 -0.154 0.000 0.901 793 R CB 1.476 31.702 30.300 -0.123 0.000 1.160 793 R HN 0.810 nan 8.270 nan 0.000 0.457 794 L N 3.320 124.430 121.223 -0.187 0.000 2.313 794 L HA 0.421 4.760 4.340 -0.001 0.000 0.283 794 L C -0.528 176.229 176.870 -0.187 0.000 1.013 794 L CA -0.433 54.223 54.840 -0.307 0.000 0.816 794 L CB 1.935 43.768 42.059 -0.376 0.000 1.236 794 L HN 0.610 nan 8.230 nan 0.000 0.419 795 E N 2.238 122.343 120.200 -0.158 0.000 2.158 795 E HA 0.501 4.851 4.350 -0.001 0.000 0.271 795 E C -0.580 175.972 176.600 -0.080 0.000 0.911 795 E CA -0.484 55.881 56.400 -0.058 0.000 0.767 795 E CB 2.150 31.865 29.700 0.026 0.000 1.120 795 E HN 0.619 nan 8.360 nan 0.000 0.405 796 T N -1.151 113.376 114.554 -0.043 0.000 2.804 796 T HA 0.335 4.685 4.350 -0.001 0.000 0.290 796 T C 0.150 174.911 174.700 0.101 0.000 1.099 796 T CA -0.694 61.355 62.100 -0.084 0.000 1.011 796 T CB 1.085 69.909 68.868 -0.073 0.000 1.291 796 T HN 0.589 nan 8.240 nan 0.000 0.523 797 H N -0.768 118.290 119.070 -0.019 0.000 2.542 797 H HA 0.417 4.973 4.556 -0.001 0.000 0.283 797 H C 0.158 175.484 175.328 -0.003 0.000 1.059 797 H CA -0.602 55.441 56.048 -0.009 0.000 1.162 797 H CB 0.176 29.933 29.762 -0.009 0.000 1.539 797 H HN 0.327 nan 8.280 nan 0.000 0.543 798 I N 2.053 122.681 120.570 0.096 0.000 2.741 798 I HA -0.144 4.025 4.170 -0.001 0.000 0.288 798 I C 0.526 176.684 176.117 0.068 0.000 1.192 798 I CA 0.410 61.749 61.300 0.065 0.000 1.426 798 I CB 0.385 38.415 38.000 0.049 0.000 1.367 798 I HN 0.195 nan 8.210 nan 0.000 0.563 799 D N 4.815 125.251 120.400 0.060 0.000 2.713 799 D HA 0.035 4.674 4.640 -0.001 0.000 0.229 799 D C 1.241 177.580 176.300 0.064 0.000 1.136 799 D CA -0.023 54.009 54.000 0.053 0.000 1.010 799 D CB 0.365 41.190 40.800 0.041 0.000 1.084 799 D HN 0.551 nan 8.370 nan 0.000 0.495 800 S N 0.467 116.211 115.700 0.074 0.000 2.496 800 S HA 0.230 4.699 4.470 -0.001 0.000 0.224 800 S C 1.580 176.232 174.600 0.086 0.000 0.996 800 S CA 0.374 58.633 58.200 0.097 0.000 0.927 800 S CB -0.166 63.103 63.200 0.116 0.000 0.774 800 S HN 0.533 nan 8.310 nan 0.000 0.524 801 G N 3.112 111.951 108.800 0.065 0.000 2.565 801 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.295 801 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.295 801 G C 0.106 175.047 174.900 0.069 0.000 1.165 801 G CA 0.552 45.686 45.100 0.057 0.000 0.977 801 G HN 0.772 nan 8.290 nan 0.000 0.546 802 D N 0.155 120.600 120.400 0.075 0.000 2.440 802 D HA 0.349 4.988 4.640 -0.001 0.000 0.216 802 D C 0.690 177.074 176.300 0.140 0.000 1.150 802 D CA -0.225 53.837 54.000 0.103 0.000 0.832 802 D CB 0.271 41.118 40.800 0.077 0.000 0.992 802 D HN 0.448 nan 8.370 nan 0.000 0.502 803 I N 1.512 122.150 120.570 0.113 0.000 2.392 803 I HA 0.482 4.652 4.170 -0.001 0.000 0.295 803 I C -0.204 176.008 176.117 0.159 0.000 0.985 803 I CA -1.033 60.285 61.300 0.029 0.000 1.221 803 I CB 0.596 38.584 38.000 -0.020 0.000 1.366 803 I HN -0.036 nan 8.210 nan 0.000 0.467 804 F N 4.536 124.312 119.950 -0.291 0.000 2.745 804 F HA 0.705 5.232 4.527 -0.001 0.000 0.316 804 F C -1.993 173.457 175.800 -0.582 0.000 1.155 804 F CA -1.440 56.416 58.000 -0.240 0.000 0.937 804 F CB 1.190 40.116 39.000 -0.123 0.000 1.361 804 F HN 0.184 nan 8.300 nan 0.000 0.472 805 Y N -0.145 119.931 120.300 -0.372 0.000 2.477 805 Y HA 0.677 5.226 4.550 -0.001 0.000 0.347 805 Y C -0.049 175.676 175.900 -0.290 0.000 0.981 805 Y CA -0.711 57.026 58.100 -0.604 0.000 1.033 805 Y CB 2.472 40.152 38.460 -1.300 0.000 1.245 805 Y HN 0.900 nan 8.280 nan 0.000 0.455 806 T N -1.437 113.044 114.554 -0.121 0.000 2.896 806 T HA 0.497 4.847 4.350 -0.001 0.000 0.297 806 T C -1.120 173.408 174.700 -0.288 0.000 1.108 806 T CA -1.058 60.993 62.100 -0.082 0.000 1.004 806 T CB 2.081 70.874 68.868 -0.125 0.000 1.159 806 T HN 0.582 nan 8.240 nan 0.000 0.499 807 D N 1.066 121.149 120.400 -0.528 0.000 2.332 807 D HA 0.378 5.017 4.640 -0.001 0.000 0.252 807 D C -0.618 175.418 176.300 -0.440 0.000 1.050 807 D CA -0.843 52.656 54.000 -0.835 0.000 0.970 807 D CB 1.291 41.330 40.800 -1.268 0.000 1.141 807 D HN 0.562 nan 8.370 nan 0.000 0.485 808 L N 0.932 121.935 121.223 -0.367 0.000 2.316 808 L HA 0.224 4.563 4.340 -0.001 0.000 0.280 808 L C -0.124 176.626 176.870 -0.200 0.000 1.006 808 L CA -0.760 53.958 54.840 -0.204 0.000 0.836 808 L CB 0.381 42.382 42.059 -0.096 0.000 1.221 808 L HN 0.460 nan 8.230 nan 0.000 0.418 809 N N 2.140 120.729 118.700 -0.185 0.000 2.714 809 N HA -0.230 4.509 4.740 -0.001 0.000 0.250 809 N C 0.980 176.285 175.510 -0.342 0.000 1.117 809 N CA 0.899 53.838 53.050 -0.185 0.000 0.719 809 N CB -1.015 37.440 38.487 -0.053 0.000 1.081 809 N HN 1.074 nan 8.380 nan 0.000 0.557 810 G N -1.631 106.973 108.800 -0.326 0.000 2.155 810 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.257 810 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.257 810 G C 0.614 175.497 174.900 -0.029 0.000 0.983 810 G CA 0.656 45.589 45.100 -0.279 0.000 0.676 810 G HN 0.475 nan 8.290 nan 0.000 0.528 811 L N -0.316 120.826 121.223 -0.133 0.000 2.500 811 L HA 0.501 4.840 4.340 -0.001 0.000 0.219 811 L C 0.973 177.726 176.870 -0.195 0.000 1.057 811 L CA 1.936 56.612 54.840 -0.275 0.000 0.854 811 L CB 0.158 41.893 42.059 -0.540 0.000 1.078 811 L HN 0.705 nan 8.230 nan 0.000 0.480 812 Q N -1.805 117.883 119.800 -0.186 0.000 2.472 812 Q HA 0.354 4.694 4.340 -0.001 0.000 0.281 812 Q C -1.685 174.197 176.000 -0.196 0.000 0.997 812 Q CA -0.736 55.024 55.803 -0.072 0.000 0.828 812 Q CB 1.096 29.852 28.738 0.031 0.000 1.443 812 Q HN -0.045 nan 8.270 nan 0.000 0.390 813 F N 1.325 121.239 119.950 -0.060 0.000 2.436 813 F HA 0.603 5.130 4.527 -0.001 0.000 0.340 813 F C -0.165 175.600 175.800 -0.057 0.000 1.113 813 F CA -0.822 57.152 58.000 -0.043 0.000 1.022 813 F CB 1.668 40.689 39.000 0.035 0.000 1.128 813 F HN 0.535 nan 8.300 nan 0.000 0.466 814 I N 3.709 124.278 120.570 -0.001 0.000 2.530 814 I HA 0.339 4.508 4.170 -0.001 0.000 0.297 814 I C -0.526 175.443 176.117 -0.246 0.000 1.011 814 I CA -0.897 60.353 61.300 -0.083 0.000 1.107 814 I CB 1.335 39.238 38.000 -0.162 0.000 1.285 814 I HN 0.502 nan 8.210 nan 0.000 0.436 815 K N 6.637 126.843 120.400 -0.322 0.000 2.368 815 K HA 0.264 4.584 4.320 -0.001 0.000 0.282 815 K C -0.850 175.294 176.600 -0.760 0.000 1.035 815 K CA -0.374 55.446 56.287 -0.779 0.000 0.973 815 K CB 0.515 32.691 32.500 -0.540 0.000 0.957 815 K HN 0.496 nan 8.250 nan 0.000 0.474 816 R N 3.244 123.116 120.500 -1.045 0.000 2.664 816 R HA 0.351 4.690 4.340 -0.001 0.000 0.286 816 R C -0.492 175.326 176.300 -0.804 0.000 0.967 816 R CA -0.776 54.649 56.100 -1.125 0.000 0.933 816 R CB 1.532 30.616 30.300 -2.028 0.000 1.146 816 R HN 0.674 nan 8.270 nan 0.000 0.468 817 R N 1.557 121.802 120.500 -0.426 0.000 2.476 817 R HA 0.297 4.637 4.340 -0.001 0.000 0.305 817 R C -0.512 175.834 176.300 0.077 0.000 0.965 817 R CA -0.672 55.345 56.100 -0.138 0.000 0.867 817 R CB 1.556 31.810 30.300 -0.076 0.000 1.176 817 R HN 0.546 nan 8.270 nan 0.000 0.447 818 R N 4.862 125.516 120.500 0.256 0.000 2.522 818 R HA 0.118 4.458 4.340 -0.001 0.000 0.284 818 R C -0.947 175.438 176.300 0.141 0.000 1.032 818 R CA 0.232 56.508 56.100 0.293 0.000 1.049 818 R CB 0.401 30.854 30.300 0.254 0.000 0.956 818 R HN 0.546 nan 8.270 nan 0.000 0.422 819 L N 4.930 126.214 121.223 0.101 0.000 2.342 819 L HA 0.223 4.563 4.340 -0.001 0.000 0.276 819 L C 0.156 177.019 176.870 -0.012 0.000 0.997 819 L CA -0.690 54.166 54.840 0.028 0.000 0.838 819 L CB 1.993 44.039 42.059 -0.021 0.000 1.224 819 L HN 0.658 nan 8.230 nan 0.000 0.416 820 D N 1.610 122.010 120.400 0.001 0.000 2.348 820 D HA -0.106 4.534 4.640 -0.001 0.000 0.216 820 D C 1.669 177.952 176.300 -0.028 0.000 0.970 820 D CA 0.743 54.738 54.000 -0.009 0.000 0.889 820 D CB 0.375 41.180 40.800 0.007 0.000 0.912 820 D HN 0.559 nan 8.370 nan 0.000 0.524 821 K N 0.194 120.570 120.400 -0.040 0.000 2.486 821 K HA 0.025 4.345 4.320 -0.001 0.000 0.194 821 K C 0.705 177.245 176.600 -0.101 0.000 1.033 821 K CA 0.332 56.593 56.287 -0.044 0.000 1.004 821 K CB 0.370 32.860 32.500 -0.017 0.000 0.798 821 K HN 0.100 nan 8.250 nan 0.000 0.495 822 L N 2.107 123.230 121.223 -0.167 0.000 2.322 822 L HA 0.470 4.810 4.340 -0.001 0.000 0.269 822 L C -2.266 174.492 176.870 -0.187 0.000 1.012 822 L CA -2.931 51.764 54.840 -0.243 0.000 0.815 822 L CB 1.463 43.272 42.059 -0.417 0.000 1.295 822 L HN -0.053 nan 8.230 nan 0.000 0.438 823 P HA 0.048 nan 4.420 nan 0.000 0.274 823 P C 0.839 178.007 177.300 -0.220 0.000 1.246 823 P CA -0.419 62.577 63.100 -0.173 0.000 0.795 823 P CB 1.251 32.876 31.700 -0.125 0.000 1.006 824 L N 0.876 122.001 121.223 -0.164 0.000 2.021 824 L HA -0.281 4.058 4.340 -0.001 0.000 0.215 824 L C 2.504 179.275 176.870 -0.165 0.000 1.074 824 L CA 1.954 56.718 54.840 -0.127 0.000 0.760 824 L CB -0.630 41.350 42.059 -0.132 0.000 0.889 824 L HN 0.440 nan 8.230 nan 0.000 0.433 825 Q N -0.387 119.207 119.800 -0.344 0.000 2.291 825 Q HA -0.161 4.178 4.340 -0.001 0.000 0.205 825 Q C 1.858 177.760 176.000 -0.165 0.000 0.970 825 Q CA 1.466 57.104 55.803 -0.275 0.000 0.876 825 Q CB -0.483 28.018 28.738 -0.396 0.000 0.935 825 Q HN 0.606 nan 8.270 nan 0.000 0.455 826 A N 1.483 123.986 122.820 -0.529 0.000 2.067 826 A HA -0.037 4.282 4.320 -0.001 0.000 0.217 826 A C 1.638 179.033 177.584 -0.315 0.000 1.156 826 A CA 0.712 52.281 52.037 -0.780 0.000 0.683 826 A CB -0.192 17.949 19.000 -1.432 0.000 0.808 826 A HN 0.344 nan 8.150 nan 0.000 0.455 827 N N -1.116 117.513 118.700 -0.119 0.000 2.398 827 N HA 0.041 4.780 4.740 -0.001 0.000 0.188 827 N C -0.830 174.776 175.510 0.160 0.000 1.122 827 N CA 0.242 53.339 53.050 0.077 0.000 0.866 827 N CB 0.038 38.620 38.487 0.158 0.000 0.970 827 N HN 0.453 nan 8.380 nan 0.000 0.462 828 Y N 0.278 120.538 120.300 -0.066 0.000 2.304 828 Y HA 0.206 4.755 4.550 -0.001 0.000 0.328 828 Y C -0.153 175.704 175.900 -0.071 0.000 1.123 828 Y CA -0.186 57.963 58.100 0.081 0.000 1.218 828 Y CB 0.371 38.948 38.460 0.194 0.000 1.207 828 Y HN -0.071 nan 8.280 nan 0.000 0.495 829 Y N 3.178 123.621 120.300 0.237 0.000 2.605 829 Y HA 0.467 5.016 4.550 -0.001 0.000 0.343 829 Y C -2.316 173.299 175.900 -0.475 0.000 1.036 829 Y CA -2.915 55.183 58.100 -0.004 0.000 1.065 829 Y CB 1.486 39.927 38.460 -0.031 0.000 1.288 829 Y HN 0.440 nan 8.280 nan 0.000 0.481 830 P HA 0.142 nan 4.420 nan 0.000 0.271 830 P C -0.723 176.336 177.300 -0.401 0.000 1.216 830 P CA 0.205 62.711 63.100 -0.991 0.000 0.776 830 P CB 0.518 31.547 31.700 -1.118 0.000 0.881 831 I N 5.235 125.654 120.570 -0.251 0.000 2.620 831 I HA 0.172 4.341 4.170 -0.001 0.000 0.280 831 I C -1.696 174.352 176.117 -0.114 0.000 1.143 831 I CA -2.461 58.765 61.300 -0.123 0.000 1.163 831 I CB 0.835 38.820 38.000 -0.025 0.000 1.461 831 I HN 0.207 nan 8.210 nan 0.000 0.530 832 P HA -0.045 nan 4.420 nan 0.000 0.222 832 P C 1.020 178.292 177.300 -0.046 0.000 1.153 832 P CA 1.127 64.157 63.100 -0.116 0.000 0.798 832 P CB 0.623 32.225 31.700 -0.163 0.000 0.796 833 S N -3.314 112.365 115.700 -0.034 0.000 2.615 833 S HA 0.468 4.938 4.470 -0.001 0.000 0.277 833 S C 0.546 175.242 174.600 0.160 0.000 1.068 833 S CA 0.335 58.573 58.200 0.063 0.000 1.315 833 S CB 0.324 63.582 63.200 0.098 0.000 1.193 833 S HN 0.325 nan 8.310 nan 0.000 0.656 834 G N 1.533 110.432 108.800 0.166 0.000 2.368 834 G HA2 0.545 4.505 3.960 -0.001 0.000 0.293 834 G HA3 0.545 4.505 3.960 -0.001 0.000 0.293 834 G C -1.479 173.681 174.900 0.433 0.000 1.467 834 G CA -0.439 44.883 45.100 0.370 0.000 0.804 834 G HN 0.878 nan 8.290 nan 0.000 0.535 835 M N -0.625 119.246 119.600 0.451 0.000 2.578 835 M HA 0.897 5.377 4.480 -0.001 0.000 0.276 835 M C -1.660 174.887 176.300 0.411 0.000 1.245 835 M CA -1.029 54.498 55.300 0.379 0.000 0.871 835 M CB 2.548 35.280 32.600 0.219 0.000 1.722 835 M HN 1.223 nan 8.290 nan 0.000 0.473 836 F N 0.773 120.868 119.950 0.241 0.000 2.693 836 F HA 0.897 5.423 4.527 -0.001 0.000 0.309 836 F C -1.815 174.118 175.800 0.222 0.000 1.129 836 F CA -1.212 56.867 58.000 0.133 0.000 0.948 836 F CB 1.086 40.076 39.000 -0.017 0.000 1.315 836 F HN 0.788 nan 8.300 nan 0.000 0.447 837 I N -0.132 120.682 120.570 0.406 0.000 2.785 837 I HA 0.900 5.069 4.170 -0.001 0.000 0.302 837 I C -1.387 174.920 176.117 0.316 0.000 1.069 837 I CA -0.882 60.617 61.300 0.332 0.000 1.045 837 I CB 2.411 40.522 38.000 0.184 0.000 1.236 837 I HN 0.952 nan 8.210 nan 0.000 0.429 838 E N 2.076 122.444 120.200 0.281 0.000 2.407 838 E HA 0.539 4.889 4.350 -0.001 0.000 0.279 838 E C -2.067 174.618 176.600 0.142 0.000 1.012 838 E CA -0.838 55.670 56.400 0.180 0.000 0.800 838 E CB 2.209 32.004 29.700 0.157 0.000 1.276 838 E HN 0.744 nan 8.360 nan 0.000 0.452 839 D N 0.630 121.082 120.400 0.087 0.000 2.784 839 D HA 0.466 5.105 4.640 -0.001 0.000 0.256 839 D C 0.889 177.218 176.300 0.050 0.000 1.129 839 D CA -0.175 53.868 54.000 0.072 0.000 1.102 839 D CB 0.002 40.836 40.800 0.057 0.000 1.330 839 D HN 0.448 nan 8.370 nan 0.000 0.626 840 A N -0.729 122.114 122.820 0.038 0.000 1.972 840 A HA -0.154 4.165 4.320 -0.001 0.000 0.219 840 A C 1.513 179.102 177.584 0.008 0.000 1.169 840 A CA 1.548 53.599 52.037 0.024 0.000 0.635 840 A CB -0.726 18.286 19.000 0.020 0.000 0.810 840 A HN 0.506 nan 8.150 nan 0.000 0.446 841 N N -1.700 117.004 118.700 0.007 0.000 2.397 841 N HA 0.073 4.813 4.740 -0.001 0.000 0.190 841 N C -0.383 175.117 175.510 -0.018 0.000 1.099 841 N CA 0.737 53.783 53.050 -0.007 0.000 0.876 841 N CB 0.586 39.070 38.487 -0.004 0.000 1.143 841 N HN 0.301 nan 8.380 nan 0.000 0.468 842 T N 0.539 115.087 114.554 -0.009 0.000 2.893 842 T HA 0.469 4.818 4.350 -0.001 0.000 0.293 842 T C -0.573 174.118 174.700 -0.014 0.000 1.027 842 T CA -0.648 61.440 62.100 -0.019 0.000 0.988 842 T CB 2.828 71.690 68.868 -0.011 0.000 1.043 842 T HN -0.045 nan 8.240 nan 0.000 0.461 843 R N 1.890 122.365 120.500 -0.042 0.000 2.686 843 R HA 0.718 5.057 4.340 -0.001 0.000 0.283 843 R C -1.976 174.299 176.300 -0.041 0.000 0.978 843 R CA -0.892 55.184 56.100 -0.040 0.000 0.897 843 R CB 1.291 31.502 30.300 -0.148 0.000 1.192 843 R HN 0.448 nan 8.270 nan 0.000 0.457 844 L N 2.742 123.972 121.223 0.012 0.000 2.343 844 L HA 0.497 4.836 4.340 -0.001 0.000 0.278 844 L C -1.305 175.605 176.870 0.067 0.000 0.996 844 L CA 0.091 54.932 54.840 0.002 0.000 0.831 844 L CB 2.203 44.251 42.059 -0.019 0.000 1.232 844 L HN 0.641 nan 8.230 nan 0.000 0.413 845 T N 5.664 120.234 114.554 0.028 0.000 2.807 845 T HA 0.544 4.893 4.350 -0.001 0.000 0.279 845 T C -1.011 173.753 174.700 0.107 0.000 0.993 845 T CA -0.280 61.877 62.100 0.095 0.000 0.970 845 T CB 1.396 70.243 68.868 -0.035 0.000 0.950 845 T HN 0.438 nan 8.240 nan 0.000 0.441 846 L N 5.221 126.544 121.223 0.167 0.000 2.294 846 L HA 0.521 4.860 4.340 -0.001 0.000 0.283 846 L C -1.230 175.788 176.870 0.246 0.000 1.015 846 L CA -0.697 54.253 54.840 0.184 0.000 0.831 846 L CB 0.439 42.589 42.059 0.151 0.000 1.217 846 L HN 0.411 nan 8.230 nan 0.000 0.420 847 L N 3.918 125.286 121.223 0.242 0.000 2.325 847 L HA 0.626 4.966 4.340 -0.001 0.000 0.279 847 L C 0.554 177.572 176.870 0.247 0.000 1.054 847 L CA -0.231 54.751 54.840 0.235 0.000 0.804 847 L CB 1.382 43.548 42.059 0.177 0.000 1.200 847 L HN 0.763 nan 8.230 nan 0.000 0.436 848 T N -2.304 112.351 114.554 0.168 0.000 2.908 848 T HA 0.612 4.962 4.350 -0.001 0.000 0.290 848 T C 0.671 175.337 174.700 -0.057 0.000 1.034 848 T CA -0.323 61.788 62.100 0.019 0.000 1.010 848 T CB 1.935 70.815 68.868 0.020 0.000 1.068 848 T HN 0.677 nan 8.240 nan 0.000 0.481 849 G N 1.277 109.969 108.800 -0.181 0.000 3.284 849 G HA2 0.421 4.381 3.960 -0.001 0.000 0.236 849 G HA3 0.421 4.381 3.960 -0.001 0.000 0.236 849 G C 0.152 174.995 174.900 -0.095 0.000 1.158 849 G CA -0.330 44.703 45.100 -0.112 0.000 0.774 849 G HN 0.961 nan 8.290 nan 0.000 0.545 850 Q N -0.221 119.515 119.800 -0.107 0.000 2.479 850 Q HA 0.296 4.636 4.340 -0.001 0.000 0.276 850 Q C -3.549 172.414 176.000 -0.061 0.000 0.989 850 Q CA -2.226 53.538 55.803 -0.065 0.000 0.864 850 Q CB 1.814 30.526 28.738 -0.043 0.000 1.444 850 Q HN -0.004 nan 8.270 nan 0.000 0.388 851 P HA 0.478 nan 4.420 nan 0.000 0.281 851 P C -0.683 176.604 177.300 -0.022 0.000 1.252 851 P CA -0.172 62.912 63.100 -0.027 0.000 0.778 851 P CB 1.043 32.734 31.700 -0.016 0.000 0.895 852 L N 1.581 122.786 121.223 -0.030 0.000 2.491 852 L HA 0.683 5.022 4.340 -0.001 0.000 0.254 852 L C 0.716 177.605 176.870 0.032 0.000 1.048 852 L CA -1.109 53.736 54.840 0.009 0.000 0.855 852 L CB 2.127 44.175 42.059 -0.017 0.000 1.466 852 L HN 0.350 nan 8.230 nan 0.000 0.409 853 G N -1.021 107.854 108.800 0.126 0.000 2.425 853 G HA2 0.699 4.658 3.960 -0.001 0.000 0.302 853 G HA3 0.699 4.658 3.960 -0.001 0.000 0.302 853 G C -0.575 174.353 174.900 0.047 0.000 1.159 853 G CA 0.034 45.258 45.100 0.208 0.000 0.865 853 G HN 0.866 nan 8.290 nan 0.000 0.515 854 G N -1.505 107.141 108.800 -0.257 0.000 2.550 854 G HA2 0.686 4.645 3.960 -0.001 0.000 0.293 854 G HA3 0.686 4.645 3.960 -0.001 0.000 0.293 854 G C -1.173 173.285 174.900 -0.736 0.000 1.402 854 G CA 0.451 45.213 45.100 -0.563 0.000 0.784 854 G HN 1.313 nan 8.290 nan 0.000 0.482 855 S N -1.907 113.430 115.700 -0.605 0.000 2.683 855 S HA 0.718 5.188 4.470 -0.001 0.000 0.269 855 S C -1.595 172.566 174.600 -0.731 0.000 1.165 855 S CA 0.352 58.196 58.200 -0.592 0.000 0.840 855 S CB 1.256 64.167 63.200 -0.483 0.000 1.169 855 S HN 1.595 nan 8.310 nan 0.000 0.490 856 S N 1.596 116.575 115.700 -1.201 0.000 2.745 856 S HA 0.485 4.955 4.470 -0.001 0.000 0.283 856 S C 0.130 174.468 174.600 -0.436 0.000 1.170 856 S CA -0.639 57.106 58.200 -0.758 0.000 1.119 856 S CB 0.019 62.705 63.200 -0.856 0.000 1.035 856 S HN 0.576 nan 8.310 nan 0.000 0.483 857 L N 3.133 124.247 121.223 -0.182 0.000 2.558 857 L HA 0.496 4.835 4.340 -0.001 0.000 0.225 857 L C 0.862 177.721 176.870 -0.018 0.000 1.128 857 L CA 0.275 55.088 54.840 -0.045 0.000 0.868 857 L CB -0.012 42.080 42.059 0.055 0.000 1.006 857 L HN 0.702 nan 8.230 nan 0.000 0.454 858 A N -1.224 121.573 122.820 -0.039 0.000 2.604 858 A HA 0.453 4.772 4.320 -0.001 0.000 0.295 858 A C -0.474 177.105 177.584 -0.008 0.000 1.067 858 A CA -0.446 51.586 52.037 -0.008 0.000 0.683 858 A CB 1.191 20.194 19.000 0.004 0.000 1.281 858 A HN -0.142 nan 8.150 nan 0.000 0.407 859 S N -0.122 115.587 115.700 0.014 0.000 2.558 859 S HA 0.403 4.872 4.470 -0.001 0.000 0.293 859 S C 1.532 176.148 174.600 0.028 0.000 1.292 859 S CA 1.878 60.094 58.200 0.027 0.000 1.063 859 S CB -0.005 63.215 63.200 0.032 0.000 0.831 859 S HN 2.662 nan 8.310 nan 0.000 0.499 860 G N 3.374 112.195 108.800 0.035 0.000 2.179 860 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.260 860 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.260 860 G C -0.160 174.742 174.900 0.003 0.000 0.977 860 G CA 0.506 45.629 45.100 0.039 0.000 0.641 860 G HN 0.723 nan 8.290 nan 0.000 0.533 861 E N -0.529 119.655 120.200 -0.026 0.000 2.212 861 E HA 0.786 5.135 4.350 -0.001 0.000 0.270 861 E C -0.221 176.318 176.600 -0.102 0.000 0.956 861 E CA -0.766 55.597 56.400 -0.062 0.000 0.825 861 E CB 1.857 31.519 29.700 -0.063 0.000 1.167 861 E HN 0.233 nan 8.360 nan 0.000 0.400 862 L N 1.559 122.716 121.223 -0.110 0.000 2.388 862 L HA 0.471 4.811 4.340 -0.001 0.000 0.264 862 L C -0.698 176.103 176.870 -0.115 0.000 0.998 862 L CA -0.632 54.134 54.840 -0.122 0.000 0.817 862 L CB 2.069 44.087 42.059 -0.068 0.000 1.338 862 L HN 0.676 nan 8.230 nan 0.000 0.414 863 E N 2.894 123.021 120.200 -0.123 0.000 2.366 863 E HA 0.694 5.044 4.350 -0.001 0.000 0.278 863 E C -1.579 174.979 176.600 -0.070 0.000 0.923 863 E CA -0.831 55.528 56.400 -0.069 0.000 0.761 863 E CB 3.346 33.050 29.700 0.008 0.000 1.231 863 E HN 0.531 nan 8.360 nan 0.000 0.443 864 I N 2.239 122.804 120.570 -0.008 0.000 2.607 864 I HA 0.322 4.492 4.170 -0.001 0.000 0.290 864 I C -1.385 174.798 176.117 0.110 0.000 1.129 864 I CA -1.155 60.163 61.300 0.030 0.000 1.042 864 I CB 1.965 39.987 38.000 0.038 0.000 1.242 864 I HN 0.776 nan 8.210 nan 0.000 0.421 865 M N 6.241 125.942 119.600 0.169 0.000 2.228 865 M HA 0.211 4.690 4.480 -0.001 0.000 0.351 865 M C 0.571 176.969 176.300 0.163 0.000 1.233 865 M CA 0.651 56.057 55.300 0.177 0.000 1.129 865 M CB 0.898 33.576 32.600 0.130 0.000 1.604 865 M HN 0.574 nan 8.290 nan 0.000 0.457 866 Q N 1.373 121.302 119.800 0.215 0.000 2.387 866 Q HA 0.258 4.598 4.340 -0.001 0.000 0.208 866 Q C -0.257 175.945 176.000 0.335 0.000 0.935 866 Q CA 0.801 56.797 55.803 0.320 0.000 0.891 866 Q CB 0.401 29.360 28.738 0.368 0.000 1.007 866 Q HN 0.766 nan 8.270 nan 0.000 0.548 867 D N -0.866 119.665 120.400 0.218 0.000 2.671 867 D HA 0.310 4.949 4.640 -0.001 0.000 0.273 867 D C -1.425 174.943 176.300 0.114 0.000 1.264 867 D CA -0.495 53.611 54.000 0.175 0.000 0.788 867 D CB 1.485 42.380 40.800 0.158 0.000 1.324 867 D HN 0.039 nan 8.370 nan 0.000 0.424 868 R N 0.746 121.302 120.500 0.094 0.000 2.584 868 R HA 0.668 5.008 4.340 -0.001 0.000 0.276 868 R C -1.122 175.220 176.300 0.070 0.000 1.046 868 R CA -1.049 55.090 56.100 0.065 0.000 0.906 868 R CB 2.046 32.355 30.300 0.015 0.000 1.215 868 R HN 0.324 nan 8.270 nan 0.000 0.449 869 R N 3.755 124.295 120.500 0.065 0.000 2.451 869 R HA 0.487 4.826 4.340 -0.001 0.000 0.307 869 R C -1.477 174.857 176.300 0.056 0.000 0.965 869 R CA -0.591 55.545 56.100 0.060 0.000 0.865 869 R CB 1.322 31.654 30.300 0.053 0.000 1.174 869 R HN 0.714 nan 8.270 nan 0.000 0.455 870 L N 3.901 125.155 121.223 0.052 0.000 2.381 870 L HA 0.525 4.864 4.340 -0.001 0.000 0.274 870 L C 0.680 177.575 176.870 0.042 0.000 0.988 870 L CA -0.560 54.309 54.840 0.049 0.000 0.824 870 L CB 2.169 44.257 42.059 0.048 0.000 1.263 870 L HN 0.812 nan 8.230 nan 0.000 0.410 871 A N 1.548 124.391 122.820 0.038 0.000 2.072 871 A HA 0.180 4.500 4.320 -0.001 0.000 0.216 871 A C 0.949 178.551 177.584 0.030 0.000 1.156 871 A CA 0.597 52.653 52.037 0.033 0.000 0.701 871 A CB 0.055 19.072 19.000 0.029 0.000 0.816 871 A HN 0.601 nan 8.150 nan 0.000 0.458 872 S N -0.214 115.504 115.700 0.030 0.000 2.638 872 S HA 0.420 4.889 4.470 -0.001 0.000 0.298 872 S C -0.680 173.939 174.600 0.031 0.000 1.111 872 S CA -0.635 57.581 58.200 0.026 0.000 1.027 872 S CB 1.461 64.673 63.200 0.019 0.000 1.064 872 S HN 0.491 nan 8.310 nan 0.000 0.525 873 D N 0.311 120.730 120.400 0.032 0.000 2.304 873 D HA 0.225 4.864 4.640 -0.001 0.000 0.247 873 D C -0.122 176.196 176.300 0.031 0.000 1.089 873 D CA -0.450 53.577 54.000 0.046 0.000 0.910 873 D CB 0.717 41.545 40.800 0.046 0.000 1.199 873 D HN 0.476 nan 8.370 nan 0.000 0.426 874 D N 2.193 122.617 120.400 0.039 0.000 2.491 874 D HA 0.054 4.694 4.640 -0.001 0.000 0.228 874 D C -0.330 175.938 176.300 -0.054 0.000 1.183 874 D CA -0.272 53.719 54.000 -0.016 0.000 0.827 874 D CB -0.465 40.312 40.800 -0.038 0.000 0.989 874 D HN 0.679 nan 8.370 nan 0.000 0.494 875 E N -0.321 119.872 120.200 -0.011 0.000 2.637 875 E HA -0.222 4.128 4.350 -0.001 0.000 0.265 875 E C 0.280 176.853 176.600 -0.046 0.000 1.073 875 E CA 0.185 56.575 56.400 -0.017 0.000 0.778 875 E CB -0.648 29.035 29.700 -0.028 0.000 1.362 875 E HN 0.230 nan 8.360 nan 0.000 0.413 876 R N -0.658 119.796 120.500 -0.076 0.000 2.509 876 R HA 0.203 4.543 4.340 -0.001 0.000 0.300 876 R C 1.388 177.755 176.300 0.112 0.000 0.985 876 R CA 0.724 56.717 56.100 -0.180 0.000 1.092 876 R CB 1.049 30.852 30.300 -0.829 0.000 1.237 876 R HN 0.406 nan 8.270 nan 0.000 0.546 877 G N 0.746 109.695 108.800 0.248 0.000 2.218 877 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.216 877 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.216 877 G C 0.726 175.828 174.900 0.337 0.000 0.994 877 G CA 0.208 45.559 45.100 0.418 0.000 0.637 877 G HN 0.288 nan 8.290 nan 0.000 0.505 878 L N 1.476 122.954 121.223 0.424 0.000 2.093 878 L HA 0.456 4.796 4.340 -0.001 0.000 0.208 878 L C 2.190 179.066 176.870 0.011 0.000 1.085 878 L CA 2.708 57.672 54.840 0.206 0.000 0.755 878 L CB -0.577 41.735 42.059 0.422 0.000 0.904 878 L HN 1.694 nan 8.230 nan 0.000 0.435 879 G N -0.402 108.437 108.800 0.065 0.000 2.160 879 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.251 879 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.251 879 G C 0.069 174.982 174.900 0.022 0.000 1.008 879 G CA 0.632 45.746 45.100 0.023 0.000 0.724 879 G HN 0.798 nan 8.290 nan 0.000 0.514 880 Q N -2.066 117.761 119.800 0.045 0.000 2.633 880 Q HA 0.672 5.012 4.340 -0.001 0.000 0.289 880 Q C 0.385 176.417 176.000 0.053 0.000 0.940 880 Q CA -0.576 55.251 55.803 0.039 0.000 0.785 880 Q CB 0.459 29.215 28.738 0.030 0.000 1.467 880 Q HN 0.948 nan 8.270 nan 0.000 0.401 881 G N 0.100 108.926 108.800 0.044 0.000 2.531 881 G HA2 0.528 4.488 3.960 -0.001 0.000 0.253 881 G HA3 0.528 4.488 3.960 -0.001 0.000 0.253 881 G C -0.965 173.965 174.900 0.049 0.000 1.439 881 G CA -0.601 44.526 45.100 0.046 0.000 1.056 881 G HN 0.426 nan 8.290 nan 0.000 0.555 882 V N 0.800 120.744 119.914 0.050 0.000 2.340 882 V HA 0.357 4.477 4.120 -0.001 0.000 0.277 882 V C -0.033 176.095 176.094 0.057 0.000 1.017 882 V CA -0.173 62.162 62.300 0.059 0.000 0.820 882 V CB 1.007 32.868 31.823 0.063 0.000 1.028 882 V HN 0.539 nan 8.190 nan 0.000 0.436 883 L N 3.476 124.732 121.223 0.054 0.000 3.358 883 L HA 0.334 4.673 4.340 -0.001 0.000 0.301 883 L C 0.463 177.361 176.870 0.047 0.000 1.276 883 L CA 0.012 54.880 54.840 0.047 0.000 1.028 883 L CB 0.752 42.833 42.059 0.037 0.000 1.421 883 L HN 0.674 nan 8.230 nan 0.000 0.604 884 D N -2.202 118.234 120.400 0.059 0.000 2.559 884 D HA 0.072 4.712 4.640 -0.001 0.000 0.234 884 D C 0.150 176.491 176.300 0.068 0.000 1.226 884 D CA -0.449 53.586 54.000 0.059 0.000 0.830 884 D CB -0.345 40.497 40.800 0.069 0.000 1.028 884 D HN 0.071 nan 8.370 nan 0.000 0.492 885 N N 1.616 120.355 118.700 0.065 0.000 2.374 885 N HA 0.136 4.876 4.740 -0.001 0.000 0.241 885 N C 0.180 175.702 175.510 0.020 0.000 1.262 885 N CA 0.313 53.402 53.050 0.064 0.000 0.880 885 N CB 0.677 39.198 38.487 0.057 0.000 1.105 885 N HN 0.314 nan 8.380 nan 0.000 0.438 886 K N -0.577 119.822 120.400 -0.001 0.000 2.536 886 K HA 0.544 4.864 4.320 -0.001 0.000 0.269 886 K C -3.259 173.314 176.600 -0.045 0.000 0.965 886 K CA -1.986 54.258 56.287 -0.072 0.000 0.860 886 K CB 1.296 33.676 32.500 -0.201 0.000 1.423 886 K HN 0.123 nan 8.250 nan 0.000 0.438 887 P HA -0.021 nan 4.420 nan 0.000 0.264 887 P C -1.022 176.289 177.300 0.019 0.000 1.183 887 P CA -0.429 62.647 63.100 -0.040 0.000 0.763 887 P CB 0.757 32.422 31.700 -0.059 0.000 0.807 888 V N 4.992 124.881 119.914 -0.042 0.000 2.841 888 V HA 0.491 4.611 4.120 -0.001 0.000 0.310 888 V C -1.368 174.586 176.094 -0.233 0.000 1.090 888 V CA -1.116 61.136 62.300 -0.081 0.000 0.930 888 V CB 2.155 33.908 31.823 -0.117 0.000 1.014 888 V HN 0.288 nan 8.190 nan 0.000 0.425 889 L N 6.812 127.921 121.223 -0.189 0.000 2.272 889 L HA 0.599 4.939 4.340 -0.001 0.000 0.284 889 L C -0.398 176.435 176.870 -0.062 0.000 1.045 889 L CA 0.126 54.887 54.840 -0.131 0.000 0.842 889 L CB 0.374 42.381 42.059 -0.088 0.000 1.224 889 L HN 0.709 nan 8.230 nan 0.000 0.430 890 H N 5.709 124.790 119.070 0.017 0.000 2.582 890 H HA 0.485 5.040 4.556 -0.001 0.000 0.345 890 H C -0.110 175.123 175.328 -0.159 0.000 1.104 890 H CA -0.186 55.821 56.048 -0.067 0.000 1.390 890 H CB 1.239 31.030 29.762 0.049 0.000 1.461 890 H HN 0.698 nan 8.280 nan 0.000 0.551 891 I N 0.186 120.599 120.570 -0.262 0.000 2.689 891 I HA 0.615 4.784 4.170 -0.001 0.000 0.299 891 I C -1.414 174.358 176.117 -0.575 0.000 1.059 891 I CA -0.950 60.207 61.300 -0.237 0.000 1.055 891 I CB 2.137 40.090 38.000 -0.079 0.000 1.243 891 I HN 0.243 nan 8.210 nan 0.000 0.425 892 Y N 2.391 122.740 120.300 0.082 0.000 2.638 892 Y HA 0.692 5.241 4.550 -0.001 0.000 0.335 892 Y C -0.622 175.332 175.900 0.090 0.000 1.155 892 Y CA -1.095 57.060 58.100 0.092 0.000 1.046 892 Y CB 1.536 40.071 38.460 0.124 0.000 1.303 892 Y HN 0.418 nan 8.280 nan 0.000 0.460 893 R N 1.348 122.009 120.500 0.268 0.000 2.686 893 R HA 0.617 4.956 4.340 -0.001 0.000 0.286 893 R C -1.917 174.498 176.300 0.193 0.000 0.969 893 R CA -1.145 55.066 56.100 0.185 0.000 0.898 893 R CB 2.602 32.972 30.300 0.116 0.000 1.183 893 R HN 0.650 nan 8.270 nan 0.000 0.456 894 L N 2.459 123.776 121.223 0.157 0.000 2.342 894 L HA 0.427 4.766 4.340 -0.001 0.000 0.276 894 L C -1.258 175.645 176.870 0.054 0.000 0.997 894 L CA -0.556 54.353 54.840 0.114 0.000 0.838 894 L CB 1.792 43.936 42.059 0.142 0.000 1.224 894 L HN 0.301 nan 8.230 nan 0.000 0.416 895 V N 6.193 126.122 119.914 0.025 0.000 2.350 895 V HA 0.413 4.532 4.120 -0.001 0.000 0.285 895 V C -0.348 175.723 176.094 -0.039 0.000 1.014 895 V CA -0.575 61.720 62.300 -0.009 0.000 0.831 895 V CB 1.405 33.215 31.823 -0.022 0.000 1.000 895 V HN 0.644 nan 8.190 nan 0.000 0.433 896 L N 5.429 126.626 121.223 -0.045 0.000 2.295 896 L HA 0.703 5.043 4.340 -0.001 0.000 0.285 896 L C -0.156 176.677 176.870 -0.063 0.000 1.035 896 L CA 0.659 55.464 54.840 -0.059 0.000 0.806 896 L CB 1.133 43.154 42.059 -0.063 0.000 1.214 896 L HN 0.734 nan 8.230 nan 0.000 0.426 897 E N 3.399 123.554 120.200 -0.075 0.000 2.408 897 E HA 0.452 4.801 4.350 -0.001 0.000 0.275 897 E C -1.281 175.275 176.600 -0.074 0.000 0.935 897 E CA -1.220 55.132 56.400 -0.079 0.000 0.775 897 E CB 1.556 31.192 29.700 -0.107 0.000 1.277 897 E HN 0.249 nan 8.360 nan 0.000 0.455 898 K N 1.372 121.731 120.400 -0.067 0.000 2.234 898 K HA 0.224 4.543 4.320 -0.001 0.000 0.282 898 K C 0.308 176.867 176.600 -0.069 0.000 1.039 898 K CA -0.221 56.031 56.287 -0.058 0.000 0.928 898 K CB 1.312 33.782 32.500 -0.049 0.000 1.039 898 K HN 0.472 nan 8.250 nan 0.000 0.470 899 V N -0.403 119.471 119.914 -0.066 0.000 3.252 899 V HA 0.039 4.159 4.120 -0.001 0.000 0.320 899 V C 1.116 177.177 176.094 -0.055 0.000 1.459 899 V CA -0.307 61.947 62.300 -0.077 0.000 1.095 899 V CB -0.248 31.513 31.823 -0.103 0.000 0.997 899 V HN 0.606 nan 8.190 nan 0.000 0.469 900 N N 1.511 120.187 118.700 -0.040 0.000 2.364 900 N HA -0.178 4.562 4.740 -0.001 0.000 0.183 900 N C 1.023 176.515 175.510 -0.030 0.000 1.022 900 N CA 1.621 54.655 53.050 -0.027 0.000 0.883 900 N CB -0.495 37.980 38.487 -0.020 0.000 0.965 900 N HN 0.537 nan 8.380 nan 0.000 0.438 901 N N 0.090 118.768 118.700 -0.037 0.000 2.336 901 N HA 0.066 4.805 4.740 -0.001 0.000 0.189 901 N C -0.232 175.251 175.510 -0.046 0.000 1.113 901 N CA -0.080 52.947 53.050 -0.037 0.000 0.858 901 N CB 0.054 38.518 38.487 -0.038 0.000 0.970 901 N HN 0.216 nan 8.380 nan 0.000 0.471 902 c N 1.271 119.837 118.600 -0.056 0.000 2.601 902 c HA 0.258 4.828 4.570 -0.001 0.000 0.409 902 c C 1.037 175.093 174.090 -0.057 0.000 1.293 902 c CA -0.944 55.344 56.329 -0.068 0.000 2.101 902 c CB 0.767 43.223 42.510 -0.091 0.000 2.639 902 c HN 0.010 nan 8.230 nan 0.000 0.592 903 V N 5.692 125.569 119.914 -0.062 0.000 2.370 903 V HA 0.208 4.327 4.120 -0.001 0.000 0.257 903 V C 0.638 176.699 176.094 -0.055 0.000 1.064 903 V CA 0.390 62.658 62.300 -0.053 0.000 0.975 903 V CB -0.666 31.122 31.823 -0.059 0.000 1.067 903 V HN 0.795 nan 8.190 nan 0.000 0.485 904 R N 4.598 125.078 120.500 -0.034 0.000 2.758 904 R HA 0.552 4.891 4.340 -0.001 0.000 0.265 904 R C -2.462 173.836 176.300 -0.003 0.000 1.016 904 R CA -1.870 54.218 56.100 -0.020 0.000 1.040 904 R CB 1.106 31.398 30.300 -0.013 0.000 1.152 904 R HN 0.389 nan 8.270 nan 0.000 0.503 905 P HA -0.027 nan 4.420 nan 0.000 0.270 905 P C -0.405 176.937 177.300 0.070 0.000 1.223 905 P CA -0.217 62.873 63.100 -0.016 0.000 0.785 905 P CB 0.593 32.198 31.700 -0.157 0.000 0.923 906 S N 0.866 116.635 115.700 0.115 0.000 2.596 906 S HA 0.096 4.565 4.470 -0.001 0.000 0.260 906 S C 1.100 175.782 174.600 0.137 0.000 1.336 906 S CA -0.216 58.053 58.200 0.114 0.000 0.993 906 S CB 0.329 63.597 63.200 0.114 0.000 0.923 906 S HN 0.309 nan 8.310 nan 0.000 0.567 907 K N 0.149 120.611 120.400 0.104 0.000 2.211 907 K HA -0.007 4.312 4.320 -0.001 0.000 0.204 907 K C 1.472 178.129 176.600 0.096 0.000 1.047 907 K CA 1.275 57.620 56.287 0.097 0.000 0.935 907 K CB -0.598 31.942 32.500 0.067 0.000 0.728 907 K HN 0.559 nan 8.250 nan 0.000 0.452 908 L N 0.041 121.323 121.223 0.098 0.000 2.592 908 L HA 0.048 4.387 4.340 -0.001 0.000 0.227 908 L C 1.044 177.969 176.870 0.091 0.000 1.127 908 L CA -0.239 54.643 54.840 0.070 0.000 0.884 908 L CB -0.247 41.838 42.059 0.042 0.000 1.065 908 L HN 0.213 nan 8.230 nan 0.000 0.457 909 H N 2.726 121.834 119.070 0.063 0.000 2.683 909 H HA 0.102 4.658 4.556 -0.001 0.000 0.339 909 H C -1.665 173.703 175.328 0.066 0.000 1.081 909 H CA -1.424 54.674 56.048 0.084 0.000 1.432 909 H CB 1.853 31.692 29.762 0.129 0.000 1.462 909 H HN -0.085 nan 8.280 nan 0.000 0.557 910 P HA 0.131 nan 4.420 nan 0.000 0.245 910 P C -0.303 177.109 177.300 0.187 0.000 1.206 910 P CA 0.201 63.346 63.100 0.075 0.000 0.781 910 P CB 0.514 32.180 31.700 -0.057 0.000 0.994 911 A N -0.309 122.795 122.820 0.475 0.000 2.288 911 A HA 0.753 5.072 4.320 -0.001 0.000 0.328 911 A C 0.286 177.933 177.584 0.105 0.000 1.123 911 A CA -0.278 51.895 52.037 0.228 0.000 0.861 911 A CB 1.025 20.150 19.000 0.208 0.000 1.272 911 A HN 0.170 nan 8.150 nan 0.000 0.490 912 G N -1.554 107.185 108.800 -0.101 0.000 2.730 912 G HA2 0.639 4.598 3.960 -0.001 0.000 0.289 912 G HA3 0.639 4.598 3.960 -0.001 0.000 0.289 912 G C -1.867 172.658 174.900 -0.624 0.000 1.341 912 G CA -0.420 44.526 45.100 -0.257 0.000 0.932 912 G HN 0.533 nan 8.290 nan 0.000 0.481 913 Y N -0.998 119.281 120.300 -0.035 0.000 2.534 913 Y HA 0.487 5.037 4.550 -0.001 0.000 0.345 913 Y C 0.324 175.995 175.900 -0.381 0.000 1.031 913 Y CA -0.838 57.172 58.100 -0.150 0.000 1.022 913 Y CB 1.973 40.332 38.460 -0.168 0.000 1.292 913 Y HN 0.362 nan 8.280 nan 0.000 0.459 914 L N 2.036 123.108 121.223 -0.252 0.000 2.466 914 L HA 0.391 4.730 4.340 -0.001 0.000 0.257 914 L C 0.718 177.438 176.870 -0.248 0.000 1.189 914 L CA -0.526 54.081 54.840 -0.388 0.000 0.813 914 L CB 0.762 42.673 42.059 -0.246 0.000 1.118 914 L HN 0.796 nan 8.230 nan 0.000 0.471 915 T N -2.710 111.685 114.554 -0.266 0.000 2.847 915 T HA 0.064 4.413 4.350 -0.001 0.000 0.279 915 T C 1.137 175.784 174.700 -0.088 0.000 0.984 915 T CA -0.172 61.823 62.100 -0.174 0.000 0.988 915 T CB 1.516 70.277 68.868 -0.178 0.000 1.040 915 T HN 0.615 nan 8.240 nan 0.000 0.528 916 S N 0.582 116.243 115.700 -0.064 0.000 2.374 916 S HA -0.168 4.302 4.470 -0.001 0.000 0.227 916 S C 2.305 176.914 174.600 0.015 0.000 1.037 916 S CA 1.539 59.733 58.200 -0.010 0.000 1.024 916 S CB -1.223 61.956 63.200 -0.034 0.000 0.861 916 S HN 0.928 nan 8.310 nan 0.000 0.456 917 A N 0.939 123.745 122.820 -0.024 0.000 1.969 917 A HA 0.324 4.643 4.320 -0.001 0.000 0.218 917 A C 2.434 180.012 177.584 -0.009 0.000 1.169 917 A CA 1.678 53.704 52.037 -0.018 0.000 0.635 917 A CB -1.197 17.783 19.000 -0.033 0.000 0.810 917 A HN 0.787 nan 8.150 nan 0.000 0.445 918 A N -1.333 121.469 122.820 -0.030 0.000 1.929 918 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 918 A C 2.098 179.714 177.584 0.052 0.000 1.176 918 A CA 1.512 53.536 52.037 -0.021 0.000 0.628 918 A CB -0.903 18.028 19.000 -0.115 0.000 0.816 918 A HN 0.765 nan 8.150 nan 0.000 0.444 919 H N 0.064 119.121 119.070 -0.022 0.000 2.321 919 H HA -0.061 4.494 4.556 -0.001 0.000 0.300 919 H C 1.837 177.202 175.328 0.060 0.000 1.087 919 H CA 1.817 57.889 56.048 0.040 0.000 1.319 919 H CB -0.037 29.742 29.762 0.029 0.000 1.379 919 H HN 0.423 nan 8.280 nan 0.000 0.501 920 K N 0.216 120.578 120.400 -0.062 0.000 2.097 920 K HA -0.086 4.233 4.320 -0.001 0.000 0.206 920 K C 2.388 178.951 176.600 -0.061 0.000 1.049 920 K CA 0.877 57.106 56.287 -0.098 0.000 0.933 920 K CB -0.056 32.434 32.500 -0.017 0.000 0.717 920 K HN 0.276 nan 8.250 nan 0.000 0.442 921 A N 0.850 123.659 122.820 -0.018 0.000 1.902 921 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 921 A C 2.207 179.798 177.584 0.012 0.000 1.181 921 A CA 2.038 54.080 52.037 0.009 0.000 0.623 921 A CB -0.647 18.372 19.000 0.032 0.000 0.818 921 A HN 0.285 nan 8.150 nan 0.000 0.443 922 S N -0.687 115.025 115.700 0.019 0.000 2.368 922 S HA -0.233 4.237 4.470 -0.001 0.000 0.225 922 S C 2.133 176.727 174.600 -0.009 0.000 1.030 922 S CA 1.703 59.931 58.200 0.047 0.000 0.999 922 S CB -0.406 62.869 63.200 0.125 0.000 0.844 922 S HN 0.677 nan 8.310 nan 0.000 0.459 923 Q N 0.607 120.354 119.800 -0.088 0.000 2.170 923 Q HA -0.090 4.249 4.340 -0.001 0.000 0.203 923 Q C 2.491 178.452 176.000 -0.065 0.000 0.976 923 Q CA 1.666 57.419 55.803 -0.084 0.000 0.858 923 Q CB -0.300 28.362 28.738 -0.126 0.000 0.907 923 Q HN 0.816 nan 8.270 nan 0.000 0.433 924 S N 0.231 115.901 115.700 -0.050 0.000 2.423 924 S HA -0.077 4.392 4.470 -0.001 0.000 0.231 924 S C 1.859 176.418 174.600 -0.068 0.000 1.014 924 S CA 0.672 58.841 58.200 -0.051 0.000 0.965 924 S CB -0.234 62.952 63.200 -0.024 0.000 0.785 924 S HN 0.280 nan 8.310 nan 0.000 0.495 925 L N 0.056 121.249 121.223 -0.050 0.000 2.127 925 L HA 0.214 4.554 4.340 -0.001 0.000 0.203 925 L C 2.493 179.309 176.870 -0.090 0.000 1.080 925 L CA 0.757 55.563 54.840 -0.056 0.000 0.768 925 L CB -0.368 41.677 42.059 -0.023 0.000 0.924 925 L HN 0.285 nan 8.230 nan 0.000 0.444 926 L N -1.240 119.934 121.223 -0.082 0.000 2.249 926 L HA 0.039 4.379 4.340 -0.001 0.000 0.207 926 L C 0.196 176.959 176.870 -0.180 0.000 1.090 926 L CA 0.753 55.533 54.840 -0.100 0.000 0.802 926 L CB 0.110 42.137 42.059 -0.053 0.000 0.947 926 L HN 0.196 nan 8.230 nan 0.000 0.453 927 D N 0.335 120.613 120.400 -0.204 0.000 2.739 927 D HA 0.227 4.867 4.640 -0.001 0.000 0.335 927 D C -2.348 173.750 176.300 -0.338 0.000 1.216 927 D CA -0.966 52.847 54.000 -0.311 0.000 0.808 927 D CB 1.275 42.081 40.800 0.010 0.000 1.121 927 D HN 0.060 nan 8.370 nan 0.000 0.499 928 P HA 0.105 nan 4.420 nan 0.000 0.274 928 P C 0.609 177.787 177.300 -0.204 0.000 1.260 928 P CA -0.472 62.474 63.100 -0.257 0.000 0.793 928 P CB 1.506 33.064 31.700 -0.237 0.000 1.048 929 L N 0.708 121.863 121.223 -0.113 0.000 2.483 929 L HA 0.087 4.426 4.340 -0.001 0.000 0.276 929 L C 0.939 177.788 176.870 -0.034 0.000 1.213 929 L CA 0.400 55.214 54.840 -0.043 0.000 0.843 929 L CB -0.308 41.739 42.059 -0.019 0.000 1.107 929 L HN 0.286 nan 8.230 nan 0.000 0.487 930 D N 2.899 123.342 120.400 0.071 0.000 2.225 930 D HA 0.344 4.983 4.640 -0.001 0.000 0.249 930 D C -0.356 175.923 176.300 -0.036 0.000 1.052 930 D CA -0.293 53.688 54.000 -0.032 0.000 0.909 930 D CB 1.680 42.501 40.800 0.034 0.000 1.186 930 D HN 0.368 nan 8.370 nan 0.000 0.431 931 K N 1.267 121.522 120.400 -0.242 0.000 2.397 931 K HA 0.458 4.777 4.320 -0.001 0.000 0.253 931 K C -1.064 175.441 176.600 -0.158 0.000 0.932 931 K CA -0.651 55.634 56.287 -0.004 0.000 0.795 931 K CB 1.612 34.083 32.500 -0.049 0.000 1.159 931 K HN 0.222 nan 8.250 nan 0.000 0.424 932 F N 2.595 122.722 119.950 0.295 0.000 2.520 932 F HA 0.501 5.027 4.527 -0.001 0.000 0.322 932 F C 0.052 176.131 175.800 0.465 0.000 1.103 932 F CA -0.879 57.294 58.000 0.289 0.000 0.926 932 F CB 1.272 40.277 39.000 0.008 0.000 1.154 932 F HN 0.195 nan 8.300 nan 0.000 0.453 933 I N 3.556 124.497 120.570 0.618 0.000 2.362 933 I HA 0.213 4.382 4.170 -0.001 0.000 0.289 933 I C -0.534 175.847 176.117 0.440 0.000 0.994 933 I CA -0.848 60.735 61.300 0.472 0.000 1.158 933 I CB 1.238 39.420 38.000 0.304 0.000 1.315 933 I HN 0.436 nan 8.210 nan 0.000 0.451 934 F N 5.824 125.924 119.950 0.249 0.000 2.578 934 F HA 0.175 4.702 4.527 -0.001 0.000 0.376 934 F C 1.175 176.885 175.800 -0.150 0.000 1.085 934 F CA 0.038 57.887 58.000 -0.252 0.000 1.260 934 F CB 1.157 40.038 39.000 -0.199 0.000 1.095 934 F HN 0.578 nan 8.300 nan 0.000 0.573 935 A N 4.171 126.344 122.820 -1.080 0.000 2.178 935 A HA 0.144 4.463 4.320 -0.001 0.000 0.211 935 A C 0.818 178.095 177.584 -0.511 0.000 1.157 935 A CA 0.351 52.008 52.037 -0.633 0.000 0.780 935 A CB -0.278 18.366 19.000 -0.594 0.000 0.828 935 A HN 0.676 nan 8.150 nan 0.000 0.476 936 E N -0.750 118.999 120.200 -0.751 0.000 2.390 936 E HA 0.246 4.596 4.350 -0.001 0.000 0.249 936 E C 0.027 176.724 176.600 0.162 0.000 0.981 936 E CA -0.819 55.474 56.400 -0.178 0.000 0.860 936 E CB 0.297 29.951 29.700 -0.076 0.000 1.278 936 E HN 0.113 nan 8.360 nan 0.000 0.416 937 N N 0.561 119.384 118.700 0.203 0.000 2.250 937 N HA -0.079 4.661 4.740 -0.001 0.000 0.181 937 N C 0.001 175.680 175.510 0.282 0.000 1.017 937 N CA 0.869 54.053 53.050 0.223 0.000 0.866 937 N CB 0.371 38.940 38.487 0.136 0.000 0.985 937 N HN 0.433 nan 8.380 nan 0.000 0.429 938 E N -0.715 119.672 120.200 0.312 0.000 2.256 938 E HA 0.124 4.474 4.350 -0.001 0.000 0.268 938 E C -1.532 175.152 176.600 0.140 0.000 0.877 938 E CA -0.729 55.777 56.400 0.177 0.000 0.757 938 E CB 1.274 31.038 29.700 0.107 0.000 1.183 938 E HN -0.003 nan 8.360 nan 0.000 0.418 939 W N 7.707 128.683 121.300 -0.540 0.000 2.295 939 W HA 0.409 5.068 4.660 -0.001 0.000 0.333 939 W C -1.342 174.967 176.519 -0.350 0.000 0.990 939 W CA -1.484 55.361 57.345 -0.833 0.000 1.453 939 W CB -0.140 28.384 29.460 -1.561 0.000 1.263 939 W HN 0.474 nan 8.180 nan 0.000 0.380 940 I N 5.739 126.409 120.570 0.167 0.000 2.556 940 I HA 0.258 4.427 4.170 -0.001 0.000 0.284 940 I C 1.511 177.634 176.117 0.009 0.000 1.114 940 I CA 1.332 62.663 61.300 0.051 0.000 1.418 940 I CB 0.570 38.627 38.000 0.095 0.000 1.394 940 I HN 0.772 nan 8.210 nan 0.000 0.552 941 G N 4.249 112.963 108.800 -0.143 0.000 2.143 941 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.249 941 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.249 941 G C 0.415 175.075 174.900 -0.400 0.000 0.981 941 G CA -0.129 44.866 45.100 -0.175 0.000 0.665 941 G HN 1.021 nan 8.290 nan 0.000 0.528 942 A N -0.382 121.929 122.820 -0.848 0.000 2.531 942 A HA 0.548 4.867 4.320 -0.001 0.000 0.236 942 A C 0.593 177.753 177.584 -0.707 0.000 1.062 942 A CA 0.871 52.056 52.037 -1.419 0.000 0.760 942 A CB 0.232 18.051 19.000 -1.969 0.000 0.995 942 A HN 0.649 nan 8.150 nan 0.000 0.501 943 Q N 0.732 120.198 119.800 -0.556 0.000 2.351 943 Q HA 0.532 4.872 4.340 -0.001 0.000 0.273 943 Q C 1.062 176.951 176.000 -0.184 0.000 1.077 943 Q CA -0.258 55.385 55.803 -0.267 0.000 0.843 943 Q CB 1.935 30.584 28.738 -0.148 0.000 1.367 943 Q HN 0.786 nan 8.270 nan 0.000 0.449 944 G N -0.006 108.723 108.800 -0.117 0.000 2.603 944 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.214 944 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.214 944 G C 0.187 175.064 174.900 -0.039 0.000 1.140 944 G CA 0.553 45.600 45.100 -0.088 0.000 0.800 944 G HN 0.434 nan 8.290 nan 0.000 0.533 945 Q N -1.409 118.382 119.800 -0.015 0.000 2.527 945 Q HA 0.515 4.854 4.340 -0.001 0.000 0.280 945 Q C -2.381 173.636 176.000 0.028 0.000 0.977 945 Q CA -0.918 54.889 55.803 0.007 0.000 0.837 945 Q CB 2.144 30.872 28.738 -0.017 0.000 1.454 945 Q HN 0.044 nan 8.270 nan 0.000 0.387 946 F N 1.123 120.977 119.950 -0.160 0.000 2.569 946 F HA 0.648 5.174 4.527 -0.001 0.000 0.312 946 F C 0.502 176.048 175.800 -0.424 0.000 1.109 946 F CA 0.437 58.274 58.000 -0.272 0.000 0.919 946 F CB 2.086 40.933 39.000 -0.255 0.000 1.211 946 F HN 0.677 nan 8.300 nan 0.000 0.446 947 G N 3.006 110.773 108.800 -1.723 0.000 2.141 947 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.231 947 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.231 947 G C 1.029 175.250 174.900 -1.131 0.000 0.984 947 G CA 0.285 44.136 45.100 -2.083 0.000 0.660 947 G HN 1.581 nan 8.290 nan 0.000 0.525 948 G N 1.121 109.556 108.800 -0.608 0.000 2.470 948 G HA2 0.018 3.978 3.960 -0.001 0.000 0.220 948 G HA3 0.018 3.978 3.960 -0.001 0.000 0.220 948 G C 1.222 176.063 174.900 -0.099 0.000 1.121 948 G CA 1.743 46.724 45.100 -0.198 0.000 0.766 948 G HN 0.827 nan 8.290 nan 0.000 0.553 949 D N -0.727 119.528 120.400 -0.241 0.000 2.328 949 D HA 0.021 4.661 4.640 -0.001 0.000 0.221 949 D C 0.334 176.630 176.300 -0.006 0.000 1.072 949 D CA -0.453 53.498 54.000 -0.083 0.000 0.850 949 D CB -0.864 39.895 40.800 -0.068 0.000 0.922 949 D HN 0.460 nan 8.370 nan 0.000 0.516 950 H N 0.941 119.902 119.070 -0.181 0.000 2.732 950 H HA 0.251 4.806 4.556 -0.001 0.000 0.351 950 H C -2.013 173.281 175.328 -0.056 0.000 1.090 950 H CA -1.812 54.153 56.048 -0.137 0.000 1.431 950 H CB 0.674 30.304 29.762 -0.220 0.000 1.447 950 H HN -0.023 nan 8.280 nan 0.000 0.582 951 P HA -0.051 nan 4.420 nan 0.000 0.268 951 P C -0.644 176.718 177.300 0.103 0.000 1.205 951 P CA 0.065 63.224 63.100 0.098 0.000 0.771 951 P CB 0.740 32.476 31.700 0.059 0.000 0.858 952 S N 2.063 117.856 115.700 0.156 0.000 2.434 952 S HA 0.596 5.065 4.470 -0.001 0.000 0.318 952 S C -0.080 174.612 174.600 0.154 0.000 1.062 952 S CA -0.569 57.748 58.200 0.196 0.000 1.116 952 S CB -0.615 62.813 63.200 0.380 0.000 0.977 952 S HN 0.483 nan 8.310 nan 0.000 0.480 953 A N 4.420 127.325 122.820 0.142 0.000 2.332 953 A HA 0.534 4.854 4.320 -0.001 0.000 0.258 953 A C 0.535 178.172 177.584 0.088 0.000 1.087 953 A CA -0.581 51.518 52.037 0.104 0.000 0.802 953 A CB 0.232 19.294 19.000 0.103 0.000 1.042 953 A HN 0.910 nan 8.150 nan 0.000 0.489 954 R N 0.014 120.536 120.500 0.037 0.000 2.697 954 R HA -0.044 4.296 4.340 -0.001 0.000 0.265 954 R C 1.466 177.764 176.300 -0.003 0.000 1.009 954 R CA 0.976 57.072 56.100 -0.007 0.000 1.099 954 R CB 0.328 30.614 30.300 -0.024 0.000 0.965 954 R HN 0.925 nan 8.270 nan 0.000 0.428 955 E N 1.792 121.950 120.200 -0.071 0.000 2.209 955 E HA -0.241 4.108 4.350 -0.001 0.000 0.196 955 E C 0.342 176.967 176.600 0.043 0.000 0.993 955 E CA 1.616 57.954 56.400 -0.103 0.000 0.819 955 E CB -0.088 29.530 29.700 -0.137 0.000 0.745 955 E HN 0.762 nan 8.360 nan 0.000 0.477 956 D N 0.635 121.024 120.400 -0.019 0.000 2.349 956 D HA -0.006 4.634 4.640 -0.001 0.000 0.224 956 D C 0.337 176.631 176.300 -0.010 0.000 1.029 956 D CA -0.071 53.880 54.000 -0.082 0.000 0.879 956 D CB -0.030 40.664 40.800 -0.175 0.000 0.906 956 D HN 0.182 nan 8.370 nan 0.000 0.528 957 L N 0.712 121.977 121.223 0.070 0.000 2.309 957 L HA 0.530 4.870 4.340 -0.001 0.000 0.282 957 L C -1.166 175.827 176.870 0.204 0.000 1.036 957 L CA -0.509 54.390 54.840 0.098 0.000 0.806 957 L CB 1.736 43.840 42.059 0.075 0.000 1.220 957 L HN -0.222 nan 8.230 nan 0.000 0.429 958 D N 2.392 122.934 120.400 0.237 0.000 2.575 958 D HA 0.371 5.011 4.640 -0.001 0.000 0.236 958 D C -1.309 175.149 176.300 0.264 0.000 1.075 958 D CA -0.267 53.897 54.000 0.273 0.000 0.860 958 D CB 2.431 43.439 40.800 0.347 0.000 1.475 958 D HN 0.244 nan 8.370 nan 0.000 0.474 959 V N 3.483 123.530 119.914 0.222 0.000 2.258 959 V HA 0.120 4.240 4.120 -0.001 0.000 0.258 959 V C 1.287 177.516 176.094 0.225 0.000 1.121 959 V CA 0.007 62.449 62.300 0.238 0.000 0.942 959 V CB 0.410 32.358 31.823 0.209 0.000 1.170 959 V HN 0.592 nan 8.190 nan 0.000 0.487 960 S N 3.114 118.976 115.700 0.269 0.000 2.382 960 S HA -0.019 4.450 4.470 -0.001 0.000 0.228 960 S C 0.668 175.325 174.600 0.095 0.000 1.027 960 S CA 0.897 59.209 58.200 0.187 0.000 0.991 960 S CB 0.164 63.529 63.200 0.275 0.000 0.823 960 S HN 0.492 nan 8.310 nan 0.000 0.469 961 V N 1.471 121.480 119.914 0.158 0.000 2.686 961 V HA 0.524 4.643 4.120 -0.001 0.000 0.306 961 V C -0.789 175.379 176.094 0.124 0.000 1.065 961 V CA -0.554 61.815 62.300 0.115 0.000 0.894 961 V CB 1.903 33.822 31.823 0.159 0.000 1.004 961 V HN 0.377 nan 8.190 nan 0.000 0.424 962 M N 5.654 125.247 119.600 -0.011 0.000 2.197 962 M HA 0.678 5.158 4.480 -0.001 0.000 0.301 962 M C -1.080 175.054 176.300 -0.277 0.000 0.987 962 M CA -0.486 54.674 55.300 -0.234 0.000 0.921 962 M CB 1.467 33.938 32.600 -0.215 0.000 1.569 962 M HN 0.742 nan 8.290 nan 0.000 0.431 963 R N 4.109 124.374 120.500 -0.391 0.000 2.515 963 R HA 0.443 4.782 4.340 -0.001 0.000 0.291 963 R C -1.401 174.670 176.300 -0.381 0.000 1.046 963 R CA -0.691 55.229 56.100 -0.300 0.000 0.914 963 R CB 1.902 32.108 30.300 -0.155 0.000 1.191 963 R HN 0.909 nan 8.270 nan 0.000 0.435 964 R N 4.479 124.811 120.500 -0.279 0.000 2.389 964 R HA 0.153 4.493 4.340 -0.001 0.000 0.295 964 R C 0.212 176.399 176.300 -0.188 0.000 1.075 964 R CA 0.015 55.974 56.100 -0.234 0.000 1.005 964 R CB 0.642 30.859 30.300 -0.137 0.000 0.987 964 R HN 0.699 nan 8.270 nan 0.000 0.452 965 L N 2.968 124.072 121.223 -0.198 0.000 2.616 965 L HA 0.146 4.486 4.340 -0.001 0.000 0.229 965 L C 0.304 177.121 176.870 -0.089 0.000 1.110 965 L CA 0.027 54.773 54.840 -0.157 0.000 0.884 965 L CB 0.391 42.325 42.059 -0.208 0.000 1.115 965 L HN 0.717 nan 8.230 nan 0.000 0.481 966 T N -2.790 111.722 114.554 -0.070 0.000 2.887 966 T HA 0.454 4.803 4.350 -0.001 0.000 0.288 966 T C -0.244 174.446 174.700 -0.016 0.000 1.021 966 T CA -0.914 61.164 62.100 -0.038 0.000 1.000 966 T CB 2.454 71.305 68.868 -0.028 0.000 1.034 966 T HN -0.088 nan 8.240 nan 0.000 0.467 967 K N 0.861 121.258 120.400 -0.006 0.000 2.117 967 K HA 0.344 4.664 4.320 -0.001 0.000 0.240 967 K C 1.597 178.209 176.600 0.020 0.000 1.031 967 K CA -0.311 55.984 56.287 0.013 0.000 0.909 967 K CB 0.617 33.124 32.500 0.011 0.000 1.097 967 K HN 0.802 nan 8.250 nan 0.000 0.492 968 S N -0.720 115.001 115.700 0.034 0.000 2.474 968 S HA -0.135 4.334 4.470 -0.001 0.000 0.235 968 S C 1.709 176.321 174.600 0.022 0.000 0.997 968 S CA 1.340 59.559 58.200 0.031 0.000 0.949 968 S CB -0.320 62.905 63.200 0.041 0.000 0.766 968 S HN 0.622 nan 8.310 nan 0.000 0.517 969 S N 1.316 117.028 115.700 0.019 0.000 2.562 969 S HA 0.454 4.924 4.470 -0.001 0.000 0.221 969 S C 0.773 175.378 174.600 0.009 0.000 0.975 969 S CA -0.006 58.203 58.200 0.015 0.000 0.918 969 S CB -0.549 62.660 63.200 0.015 0.000 0.772 969 S HN 0.742 nan 8.310 nan 0.000 0.531 970 A N 1.927 124.751 122.820 0.006 0.000 2.451 970 A HA 0.373 4.693 4.320 -0.001 0.000 0.266 970 A C 1.251 178.839 177.584 0.005 0.000 1.119 970 A CA -0.373 51.664 52.037 0.001 0.000 0.786 970 A CB 0.203 19.200 19.000 -0.005 0.000 1.061 970 A HN 0.489 nan 8.150 nan 0.000 0.503 971 K N 1.882 122.284 120.400 0.004 0.000 2.063 971 K HA -0.095 4.224 4.320 -0.001 0.000 0.208 971 K C 0.134 176.741 176.600 0.011 0.000 1.048 971 K CA 1.724 58.015 56.287 0.007 0.000 0.928 971 K CB -0.039 32.463 32.500 0.003 0.000 0.713 971 K HN 0.640 nan 8.250 nan 0.000 0.442 972 T N 2.459 117.016 114.554 0.005 0.000 2.753 972 T HA 0.182 4.531 4.350 -0.001 0.000 0.297 972 T C -0.844 173.865 174.700 0.015 0.000 0.981 972 T CA -0.690 61.415 62.100 0.008 0.000 0.956 972 T CB 1.410 70.272 68.868 -0.010 0.000 0.936 972 T HN 0.099 nan 8.240 nan 0.000 0.463 973 Q N 2.712 122.540 119.800 0.047 0.000 2.340 973 Q HA 0.409 4.748 4.340 -0.001 0.000 0.249 973 Q C 0.097 176.143 176.000 0.078 0.000 0.957 973 Q CA 0.048 55.883 55.803 0.052 0.000 0.882 973 Q CB 1.280 30.054 28.738 0.060 0.000 1.235 973 Q HN 0.547 nan 8.270 nan 0.000 0.439 974 R N 0.269 120.783 120.500 0.022 0.000 2.628 974 R HA 0.652 4.991 4.340 -0.001 0.000 0.288 974 R C -1.116 175.131 176.300 -0.087 0.000 0.980 974 R CA -0.647 55.449 56.100 -0.007 0.000 0.891 974 R CB 1.868 32.130 30.300 -0.062 0.000 1.188 974 R HN 0.257 nan 8.270 nan 0.000 0.450 975 V N 1.447 121.304 119.914 -0.095 0.000 2.588 975 V HA 0.621 4.741 4.120 -0.001 0.000 0.304 975 V C 0.144 175.955 176.094 -0.472 0.000 1.042 975 V CA -0.825 61.286 62.300 -0.316 0.000 0.877 975 V CB 2.086 33.731 31.823 -0.297 0.000 0.996 975 V HN 0.944 nan 8.190 nan 0.000 0.425 976 G N 2.855 111.173 108.800 -0.803 0.000 2.388 976 G HA2 0.676 4.635 3.960 -0.001 0.000 0.330 976 G HA3 0.676 4.635 3.960 -0.001 0.000 0.330 976 G C -1.704 172.755 174.900 -0.735 0.000 1.142 976 G CA -0.321 44.150 45.100 -1.047 0.000 0.908 976 G HN 0.500 nan 8.290 nan 0.000 0.473 977 Y N 0.386 120.765 120.300 0.131 0.000 2.425 977 Y HA 0.468 5.018 4.550 -0.001 0.000 0.344 977 Y C -0.129 176.040 175.900 0.448 0.000 0.969 977 Y CA -0.893 57.376 58.100 0.283 0.000 1.052 977 Y CB 2.784 41.377 38.460 0.221 0.000 1.215 977 Y HN 0.340 nan 8.280 nan 0.000 0.451 978 V N 5.221 125.432 119.914 0.494 0.000 2.370 978 V HA 0.378 4.498 4.120 -0.001 0.000 0.283 978 V C -0.360 175.963 176.094 0.382 0.000 1.023 978 V CA -0.746 61.772 62.300 0.363 0.000 0.857 978 V CB 1.194 33.183 31.823 0.277 0.000 0.985 978 V HN 0.588 nan 8.190 nan 0.000 0.443 979 L N 4.786 126.222 121.223 0.355 0.000 2.307 979 L HA 0.577 4.916 4.340 -0.001 0.000 0.284 979 L C -0.704 176.370 176.870 0.341 0.000 1.023 979 L CA -0.588 54.452 54.840 0.333 0.000 0.810 979 L CB 1.471 43.720 42.059 0.317 0.000 1.231 979 L HN 0.693 nan 8.230 nan 0.000 0.423 980 H N 3.655 122.879 119.070 0.257 0.000 2.609 980 H HA 0.425 4.980 4.556 -0.001 0.000 0.344 980 H C -1.032 174.382 175.328 0.144 0.000 1.040 980 H CA -0.584 55.587 56.048 0.205 0.000 1.216 980 H CB 1.485 31.441 29.762 0.323 0.000 1.529 980 H HN 0.470 nan 8.280 nan 0.000 0.519 981 R N 4.293 124.431 120.500 -0.603 0.000 2.343 981 R HA 0.326 4.665 4.340 -0.001 0.000 0.320 981 R C -0.347 175.521 176.300 -0.721 0.000 0.956 981 R CA -0.467 55.360 56.100 -0.456 0.000 0.836 981 R CB 1.269 31.427 30.300 -0.236 0.000 1.151 981 R HN 0.745 nan 8.270 nan 0.000 0.450 982 T N 1.561 115.840 114.554 -0.457 0.000 2.793 982 T HA 0.183 4.533 4.350 -0.001 0.000 0.299 982 T C -0.522 174.002 174.700 -0.292 0.000 1.038 982 T CA -0.436 61.494 62.100 -0.282 0.000 0.948 982 T CB 0.583 69.361 68.868 -0.149 0.000 1.231 982 T HN 0.682 nan 8.240 nan 0.000 0.538 983 N N 0.606 119.160 118.700 -0.242 0.000 2.399 983 N HA 0.474 5.213 4.740 -0.001 0.000 0.284 983 N C -1.497 173.858 175.510 -0.258 0.000 1.025 983 N CA -0.485 52.364 53.050 -0.335 0.000 0.885 983 N CB 0.662 38.792 38.487 -0.595 0.000 1.339 983 N HN 0.465 nan 8.380 nan 0.000 0.487 984 L N 2.690 123.758 121.223 -0.260 0.000 2.334 984 L HA 0.547 4.887 4.340 -0.001 0.000 0.276 984 L C 0.467 177.219 176.870 -0.197 0.000 1.014 984 L CA -0.969 53.754 54.840 -0.195 0.000 0.815 984 L CB 1.660 43.612 42.059 -0.178 0.000 1.268 984 L HN 0.381 nan 8.230 nan 0.000 0.428 985 M N 2.256 121.760 119.600 -0.160 0.000 2.245 985 M HA 0.090 4.570 4.480 -0.001 0.000 0.344 985 M C -0.210 176.009 176.300 -0.135 0.000 1.170 985 M CA -0.088 55.120 55.300 -0.152 0.000 1.135 985 M CB 0.454 32.970 32.600 -0.140 0.000 1.574 985 M HN 0.457 nan 8.290 nan 0.000 0.452 986 Q N 2.070 121.794 119.800 -0.125 0.000 2.314 986 Q HA 0.200 4.539 4.340 -0.001 0.000 0.257 986 Q C -0.255 175.693 176.000 -0.086 0.000 0.975 986 Q CA 0.089 55.832 55.803 -0.100 0.000 0.933 986 Q CB 0.995 29.677 28.738 -0.092 0.000 1.195 986 Q HN 0.803 nan 8.270 nan 0.000 0.426 987 c N 0.712 119.265 118.600 -0.079 0.000 3.098 987 c HA 0.398 4.968 4.570 -0.001 0.000 0.265 987 c C 1.270 175.326 174.090 -0.056 0.000 1.572 987 c CA 0.011 56.298 56.329 -0.070 0.000 1.788 987 c CB -0.354 42.108 42.510 -0.079 0.000 2.982 987 c HN 1.019 nan 8.230 nan 0.000 0.532 988 G N 1.198 109.967 108.800 -0.051 0.000 2.176 988 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.232 988 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.232 988 G C 0.007 174.886 174.900 -0.036 0.000 0.986 988 G CA 0.288 45.364 45.100 -0.040 0.000 0.643 988 G HN 0.435 nan 8.290 nan 0.000 0.522 989 T N 2.097 116.626 114.554 -0.041 0.000 2.728 989 T HA 0.474 4.823 4.350 -0.001 0.000 0.296 989 T C -0.614 174.068 174.700 -0.030 0.000 0.940 989 T CA -0.549 61.531 62.100 -0.034 0.000 1.013 989 T CB 1.897 70.742 68.868 -0.039 0.000 0.912 989 T HN 0.007 nan 8.240 nan 0.000 0.484 990 P HA -0.135 nan 4.420 nan 0.000 0.216 990 P C 0.277 177.570 177.300 -0.011 0.000 1.150 990 P CA 0.576 63.670 63.100 -0.009 0.000 0.843 990 P CB -0.213 31.490 31.700 0.005 0.000 0.787 991 E N 0.179 120.371 120.200 -0.013 0.000 0.804 991 E HA -0.251 4.099 4.350 -0.001 0.000 0.289 991 E C -0.029 176.538 176.600 -0.055 0.000 0.679 991 E CA 0.417 56.796 56.400 -0.035 0.000 1.015 991 E CB -0.575 29.092 29.700 -0.055 0.000 0.772 991 E HN 0.335 nan 8.360 nan 0.000 0.308 992 E N 1.620 121.798 120.200 -0.035 0.000 4.369 992 E HA 0.081 4.431 4.350 -0.001 0.000 0.215 992 E C 0.010 176.510 176.600 -0.167 0.000 1.019 992 E CA 0.010 56.388 56.400 -0.037 0.000 1.158 992 E CB -0.383 29.349 29.700 0.054 0.000 1.929 992 E HN 0.719 nan 8.360 nan 0.000 0.426 993 H N 1.253 120.317 119.070 -0.010 0.000 1.931 993 H HA -0.135 4.420 4.556 -0.001 0.000 0.301 993 H C -0.755 174.579 175.328 0.010 0.000 0.787 993 H CA 1.056 57.102 56.048 -0.003 0.000 1.003 993 H CB -2.201 27.557 29.762 -0.007 0.000 1.514 993 H HN 0.298 nan 8.280 nan 0.000 0.265 994 T N 0.933 115.487 114.554 -0.001 0.000 2.887 994 T HA 0.593 4.943 4.350 -0.001 0.000 0.292 994 T C -0.098 174.627 174.700 0.042 0.000 1.087 994 T CA -1.164 60.936 62.100 0.000 0.000 1.009 994 T CB 2.580 71.433 68.868 -0.025 0.000 1.203 994 T HN 0.621 nan 8.240 nan 0.000 0.518 995 Q N 0.353 120.188 119.800 0.059 0.000 2.205 995 Q HA 0.450 4.789 4.340 -0.001 0.000 0.249 995 Q C -0.488 175.532 176.000 0.033 0.000 0.948 995 Q CA -1.093 54.740 55.803 0.051 0.000 0.895 995 Q CB 1.600 30.379 28.738 0.068 0.000 1.249 995 Q HN 0.640 nan 8.270 nan 0.000 0.458 996 K N 1.367 121.777 120.400 0.017 0.000 2.298 996 K HA 0.196 4.516 4.320 -0.001 0.000 0.280 996 K C -1.104 175.496 176.600 0.000 0.000 1.032 996 K CA -0.403 55.885 56.287 0.002 0.000 0.958 996 K CB 0.440 32.933 32.500 -0.012 0.000 0.978 996 K HN 0.433 nan 8.250 nan 0.000 0.472 997 L N 4.409 125.628 121.223 -0.006 0.000 2.272 997 L HA 0.324 4.664 4.340 -0.001 0.000 0.289 997 L C -1.266 175.566 176.870 -0.064 0.000 1.032 997 L CA -0.081 54.747 54.840 -0.020 0.000 0.810 997 L CB 1.312 43.369 42.059 -0.003 0.000 1.205 997 L HN 0.647 nan 8.230 nan 0.000 0.422 998 D N 3.571 123.926 120.400 -0.074 0.000 2.464 998 D HA 0.167 4.806 4.640 -0.001 0.000 0.243 998 D C 1.053 177.252 176.300 -0.168 0.000 1.104 998 D CA -0.288 53.646 54.000 -0.110 0.000 0.883 998 D CB 1.276 42.062 40.800 -0.023 0.000 1.050 998 D HN 0.393 nan 8.370 nan 0.000 0.524 999 V N 1.412 121.127 119.914 -0.331 0.000 2.720 999 V HA -0.180 3.940 4.120 -0.001 0.000 0.256 999 V C 2.102 177.882 176.094 -0.524 0.000 1.082 999 V CA 1.072 63.003 62.300 -0.616 0.000 1.101 999 V CB -1.112 30.063 31.823 -1.079 0.000 0.693 999 V HN 0.614 nan 8.190 nan 0.000 0.479 1000 c N 0.537 118.962 118.600 -0.292 0.000 2.437 1000 c HA 0.018 4.587 4.570 -0.001 0.000 0.283 1000 c C 2.116 176.079 174.090 -0.212 0.000 1.424 1000 c CA 1.231 57.452 56.329 -0.181 0.000 1.782 1000 c CB -1.758 40.635 42.510 -0.194 0.000 1.833 1000 c HN 0.767 nan 8.230 nan 0.000 0.532 1001 H N -0.940 118.109 119.070 -0.035 0.000 2.542 1001 H HA 0.264 4.819 4.556 -0.001 0.000 0.283 1001 H C 1.695 177.055 175.328 0.052 0.000 1.059 1001 H CA -0.017 56.049 56.048 0.031 0.000 1.162 1001 H CB 0.059 29.822 29.762 0.001 0.000 1.539 1001 H HN 0.345 nan 8.280 nan 0.000 0.543 1002 L N -0.141 121.131 121.223 0.082 0.000 2.141 1002 L HA -0.013 4.327 4.340 -0.001 0.000 0.209 1002 L C 0.193 177.199 176.870 0.227 0.000 1.094 1002 L CA 0.859 55.777 54.840 0.129 0.000 0.763 1002 L CB 0.118 42.216 42.059 0.064 0.000 0.908 1002 L HN 0.211 nan 8.230 nan 0.000 0.437 1003 L N -0.013 121.299 121.223 0.148 0.000 2.331 1003 L HA 0.391 4.730 4.340 -0.001 0.000 0.275 1003 L C -2.056 174.865 176.870 0.084 0.000 1.022 1003 L CA -1.961 52.896 54.840 0.027 0.000 0.812 1003 L CB 1.561 43.383 42.059 -0.395 0.000 1.257 1003 L HN -0.200 nan 8.230 nan 0.000 0.435 1004 P HA 0.139 nan 4.420 nan 0.000 0.277 1004 P C -0.913 176.512 177.300 0.208 0.000 1.271 1004 P CA -0.322 62.858 63.100 0.132 0.000 0.795 1004 P CB 0.398 32.151 31.700 0.088 0.000 1.101 1005 N N -3.138 115.661 118.700 0.165 0.000 2.740 1005 N HA -0.152 4.587 4.740 -0.001 0.000 0.248 1005 N C 0.044 175.639 175.510 0.141 0.000 1.062 1005 N CA 0.116 53.251 53.050 0.141 0.000 0.704 1005 N CB -1.937 36.622 38.487 0.120 0.000 0.968 1005 N HN 0.258 nan 8.380 nan 0.000 0.547 1006 V N -0.134 119.822 119.914 0.070 0.000 2.655 1006 V HA 0.420 4.540 4.120 -0.001 0.000 0.300 1006 V C 1.141 177.141 176.094 -0.155 0.000 1.044 1006 V CA 1.081 63.250 62.300 -0.218 0.000 1.095 1006 V CB 1.309 32.913 31.823 -0.365 0.000 0.952 1006 V HN 0.437 nan 8.190 nan 0.000 0.485 1007 A N 6.844 129.544 122.820 -0.201 0.000 2.211 1007 A HA 0.503 4.822 4.320 -0.001 0.000 0.208 1007 A C 0.897 178.444 177.584 -0.062 0.000 1.250 1007 A CA -0.000 51.983 52.037 -0.089 0.000 0.935 1007 A CB 0.282 19.241 19.000 -0.068 0.000 0.982 1007 A HN 0.771 nan 8.150 nan 0.000 0.490 1008 R N -1.686 118.748 120.500 -0.110 0.000 2.664 1008 R HA 0.485 4.825 4.340 -0.001 0.000 0.266 1008 R C -2.331 173.944 176.300 -0.042 0.000 1.046 1008 R CA -0.311 55.788 56.100 -0.002 0.000 0.885 1008 R CB 1.451 31.761 30.300 0.017 0.000 1.254 1008 R HN 0.316 nan 8.270 nan 0.000 0.465 1009 c N 2.427 121.056 118.600 0.048 0.000 2.481 1009 c HA 0.637 5.206 4.570 -0.001 0.000 0.324 1009 c C -1.243 172.942 174.090 0.159 0.000 1.170 1009 c CA -0.185 56.174 56.329 0.050 0.000 1.361 1009 c CB 1.288 43.786 42.510 -0.020 0.000 1.977 1009 c HN 0.921 nan 8.230 nan 0.000 0.459 1010 E N 2.858 123.173 120.200 0.192 0.000 2.293 1010 E HA 0.446 4.795 4.350 -0.001 0.000 0.270 1010 E C -1.017 175.754 176.600 0.286 0.000 0.879 1010 E CA -0.621 55.910 56.400 0.218 0.000 0.756 1010 E CB 1.906 31.694 29.700 0.147 0.000 1.208 1010 E HN 0.653 nan 8.360 nan 0.000 0.428 1011 R N 1.397 122.046 120.500 0.249 0.000 2.390 1011 R HA 0.359 4.698 4.340 -0.001 0.000 0.291 1011 R C -0.504 175.822 176.300 0.043 0.000 1.070 1011 R CA 0.116 56.279 56.100 0.105 0.000 1.014 1011 R CB 0.667 31.004 30.300 0.062 0.000 1.007 1011 R HN 0.702 nan 8.270 nan 0.000 0.466 1012 T N -0.407 114.144 114.554 -0.004 0.000 2.887 1012 T HA 0.347 4.696 4.350 -0.001 0.000 0.292 1012 T C 0.098 174.780 174.700 -0.030 0.000 1.087 1012 T CA -0.776 61.344 62.100 0.035 0.000 1.009 1012 T CB 1.357 70.316 68.868 0.151 0.000 1.203 1012 T HN 0.628 nan 8.240 nan 0.000 0.518 1013 T N 0.116 114.656 114.554 -0.022 0.000 2.791 1013 T HA 0.200 4.550 4.350 -0.001 0.000 0.323 1013 T C 1.582 176.204 174.700 -0.130 0.000 1.082 1013 T CA -0.661 61.405 62.100 -0.058 0.000 1.084 1013 T CB -0.084 68.766 68.868 -0.029 0.000 0.992 1013 T HN 0.567 nan 8.240 nan 0.000 0.547 1014 L N 1.014 122.145 121.223 -0.155 0.000 2.362 1014 L HA -0.016 4.324 4.340 -0.001 0.000 0.219 1014 L C 2.805 179.384 176.870 -0.485 0.000 1.134 1014 L CA 1.321 56.000 54.840 -0.267 0.000 0.807 1014 L CB -1.024 40.962 42.059 -0.123 0.000 0.927 1014 L HN 0.980 nan 8.230 nan 0.000 0.447 1015 T N -4.913 109.459 114.554 -0.304 0.000 3.129 1015 T HA 0.020 4.369 4.350 -0.001 0.000 0.251 1015 T C 0.738 175.322 174.700 -0.194 0.000 1.117 1015 T CA -0.244 61.705 62.100 -0.252 0.000 1.034 1015 T CB -0.152 68.695 68.868 -0.036 0.000 0.968 1015 T HN 0.200 nan 8.240 nan 0.000 0.526 1016 F N -0.788 119.173 119.950 0.018 0.000 2.871 1016 F HA -0.197 4.329 4.527 -0.001 0.000 0.326 1016 F C 1.033 176.832 175.800 -0.003 0.000 0.675 1016 F CA -0.063 57.940 58.000 0.005 0.000 1.188 1016 F CB -2.339 36.659 39.000 -0.003 0.000 1.567 1016 F HN 0.250 nan 8.300 nan 0.000 0.325 1017 L N -0.962 120.330 121.223 0.116 0.000 2.446 1017 L HA 0.085 4.424 4.340 -0.001 0.000 0.219 1017 L C 1.106 177.997 176.870 0.034 0.000 1.116 1017 L CA 0.923 55.802 54.840 0.065 0.000 0.844 1017 L CB 0.113 42.193 42.059 0.036 0.000 0.970 1017 L HN 0.342 nan 8.230 nan 0.000 0.457 1018 Q N 0.486 120.306 119.800 0.032 0.000 2.305 1018 Q HA 0.277 4.617 4.340 -0.001 0.000 0.271 1018 Q C -1.178 174.837 176.000 0.025 0.000 1.046 1018 Q CA -0.700 55.110 55.803 0.012 0.000 0.798 1018 Q CB 1.920 30.652 28.738 -0.010 0.000 1.286 1018 Q HN 0.095 nan 8.270 nan 0.000 0.435 1019 N N 4.355 123.068 118.700 0.021 0.000 2.488 1019 N HA 0.191 4.930 4.740 -0.001 0.000 0.274 1019 N C 0.302 175.826 175.510 0.025 0.000 1.111 1019 N CA 0.201 53.270 53.050 0.033 0.000 0.974 1019 N CB 1.137 39.638 38.487 0.023 0.000 1.089 1019 N HN 0.638 nan 8.380 nan 0.000 0.465 1020 L N 0.417 121.659 121.223 0.033 0.000 2.537 1020 L HA 0.306 4.646 4.340 -0.001 0.000 0.224 1020 L C 0.619 177.516 176.870 0.045 0.000 1.065 1020 L CA 0.394 55.248 54.840 0.024 0.000 0.860 1020 L CB 0.343 42.405 42.059 0.005 0.000 1.086 1020 L HN 0.523 nan 8.230 nan 0.000 0.482 1021 E N -0.407 119.839 120.200 0.077 0.000 2.354 1021 E HA 0.139 4.489 4.350 -0.001 0.000 0.283 1021 E C -1.384 175.317 176.600 0.167 0.000 0.938 1021 E CA -0.550 55.913 56.400 0.105 0.000 0.777 1021 E CB 1.628 31.385 29.700 0.094 0.000 1.222 1021 E HN 0.103 nan 8.360 nan 0.000 0.423 1022 H N 5.856 124.952 119.070 0.043 0.000 2.552 1022 H HA 0.347 4.902 4.556 -0.001 0.000 0.311 1022 H C -0.782 174.571 175.328 0.042 0.000 1.071 1022 H CA -0.636 55.434 56.048 0.038 0.000 1.307 1022 H CB 0.702 30.477 29.762 0.021 0.000 1.416 1022 H HN 0.361 nan 8.280 nan 0.000 0.464 1023 L N 5.250 126.448 121.223 -0.043 0.000 2.276 1023 L HA 0.119 4.458 4.340 -0.001 0.000 0.286 1023 L C 0.169 176.920 176.870 -0.199 0.000 1.061 1023 L CA -0.868 53.922 54.840 -0.084 0.000 0.807 1023 L CB 1.086 43.154 42.059 0.015 0.000 1.177 1023 L HN 0.650 nan 8.230 nan 0.000 0.429 1024 D N 2.811 123.120 120.400 -0.152 0.000 2.493 1024 D HA 0.112 4.751 4.640 -0.001 0.000 0.240 1024 D C 1.198 177.451 176.300 -0.078 0.000 1.142 1024 D CA 1.290 55.212 54.000 -0.131 0.000 0.872 1024 D CB 1.190 41.944 40.800 -0.078 0.000 1.173 1024 D HN 0.849 nan 8.370 nan 0.000 0.467 1025 G N 3.085 111.846 108.800 -0.065 0.000 2.166 1025 G HA2 -0.399 3.560 3.960 -0.001 0.000 0.260 1025 G HA3 -0.399 3.560 3.960 -0.001 0.000 0.260 1025 G C 0.807 175.739 174.900 0.052 0.000 0.986 1025 G CA 0.485 45.580 45.100 -0.007 0.000 0.683 1025 G HN 0.651 nan 8.290 nan 0.000 0.527 1026 M N -2.816 116.784 119.600 -0.001 0.000 2.653 1026 M HA -0.189 4.291 4.480 -0.001 0.000 0.203 1026 M C 0.118 176.447 176.300 0.048 0.000 0.502 1026 M CA 0.904 56.202 55.300 -0.002 0.000 0.601 1026 M CB -1.917 30.663 32.600 -0.034 0.000 2.228 1026 M HN 0.224 nan 8.290 nan 0.000 0.711 1027 V N 0.792 120.724 119.914 0.030 0.000 2.398 1027 V HA 0.728 4.848 4.120 -0.001 0.000 0.286 1027 V C 0.607 176.627 176.094 -0.124 0.000 1.026 1027 V CA -0.293 62.011 62.300 0.007 0.000 0.868 1027 V CB 1.777 33.599 31.823 -0.003 0.000 0.982 1027 V HN 0.373 nan 8.190 nan 0.000 0.443 1028 A N 7.949 130.611 122.820 -0.262 0.000 2.279 1028 A HA 0.764 5.083 4.320 -0.001 0.000 0.306 1028 A C -2.469 174.830 177.584 -0.474 0.000 1.300 1028 A CA -1.504 50.140 52.037 -0.655 0.000 0.925 1028 A CB 0.175 18.497 19.000 -1.130 0.000 1.152 1028 A HN 0.629 nan 8.150 nan 0.000 0.544 1029 P HA 0.189 nan 4.420 nan 0.000 0.272 1029 P C -0.099 177.187 177.300 -0.023 0.000 1.223 1029 P CA -0.159 62.892 63.100 -0.083 0.000 0.784 1029 P CB 0.589 32.303 31.700 0.023 0.000 0.923 1030 E N -0.181 120.020 120.200 0.003 0.000 2.371 1030 E HA 0.267 4.617 4.350 -0.001 0.000 0.257 1030 E C 0.042 176.692 176.600 0.084 0.000 1.134 1030 E CA -0.834 55.594 56.400 0.047 0.000 0.919 1030 E CB 0.515 30.224 29.700 0.016 0.000 1.025 1030 E HN 0.287 nan 8.360 nan 0.000 0.438 1031 V N -1.510 118.456 119.914 0.087 0.000 3.109 1031 V HA 0.368 4.488 4.120 -0.001 0.000 0.317 1031 V C 0.139 176.236 176.094 0.004 0.000 1.074 1031 V CA -1.091 61.248 62.300 0.065 0.000 1.033 1031 V CB 1.242 33.110 31.823 0.075 0.000 1.111 1031 V HN 0.742 nan 8.190 nan 0.000 0.458 1032 c N 2.312 120.909 118.600 -0.005 0.000 2.580 1032 c HA 0.442 5.012 4.570 -0.001 0.000 0.371 1032 c C -2.064 171.969 174.090 -0.095 0.000 1.308 1032 c CA -0.313 55.994 56.329 -0.037 0.000 2.428 1032 c CB -0.027 42.477 42.510 -0.010 0.000 2.529 1032 c HN 0.815 nan 8.230 nan 0.000 0.657 1033 P HA 0.046 nan 4.420 nan 0.000 0.265 1033 P C 0.255 177.400 177.300 -0.259 0.000 1.193 1033 P CA 0.902 63.864 63.100 -0.229 0.000 0.765 1033 P CB 0.181 31.727 31.700 -0.257 0.000 0.823 1034 M N -1.219 118.177 119.600 -0.341 0.000 2.908 1034 M HA -0.184 4.295 4.480 -0.001 0.000 0.191 1034 M C -0.159 176.135 176.300 -0.010 0.000 0.619 1034 M CA 1.394 56.483 55.300 -0.351 0.000 0.709 1034 M CB -2.091 29.965 32.600 -0.908 0.000 2.554 1034 M HN 0.411 nan 8.290 nan 0.000 0.356 1035 E N 0.313 120.501 120.200 -0.021 0.000 2.222 1035 E HA 0.738 5.088 4.350 -0.001 0.000 0.267 1035 E C 0.062 176.732 176.600 0.116 0.000 0.963 1035 E CA -0.146 56.323 56.400 0.115 0.000 0.837 1035 E CB 1.513 31.246 29.700 0.055 0.000 1.183 1035 E HN 0.136 nan 8.360 nan 0.000 0.403 1036 T N 0.443 115.085 114.554 0.146 0.000 2.881 1036 T HA 0.711 5.061 4.350 -0.001 0.000 0.290 1036 T C -0.885 173.833 174.700 0.030 0.000 1.000 1036 T CA -0.658 61.539 62.100 0.161 0.000 0.978 1036 T CB 1.631 70.602 68.868 0.173 0.000 0.997 1036 T HN 0.514 nan 8.240 nan 0.000 0.443 1037 A N 1.824 124.663 122.820 0.031 0.000 2.515 1037 A HA 1.002 5.322 4.320 -0.001 0.000 0.296 1037 A C -1.050 176.438 177.584 -0.160 0.000 1.094 1037 A CA -0.924 51.035 52.037 -0.130 0.000 0.718 1037 A CB 1.531 20.410 19.000 -0.201 0.000 1.307 1037 A HN 1.122 nan 8.150 nan 0.000 0.408 1038 A N 0.156 122.787 122.820 -0.315 0.000 2.374 1038 A HA 0.841 5.160 4.320 -0.001 0.000 0.317 1038 A C -1.599 175.796 177.584 -0.315 0.000 1.094 1038 A CA -0.359 51.605 52.037 -0.121 0.000 0.765 1038 A CB 0.801 19.766 19.000 -0.059 0.000 1.268 1038 A HN 0.882 nan 8.150 nan 0.000 0.438 1039 Y N -0.094 120.420 120.300 0.358 0.000 2.524 1039 Y HA 0.572 5.121 4.550 -0.001 0.000 0.347 1039 Y C -0.306 175.761 175.900 0.279 0.000 1.005 1039 Y CA -0.855 57.406 58.100 0.269 0.000 1.025 1039 Y CB 2.513 41.093 38.460 0.200 0.000 1.275 1039 Y HN 0.428 nan 8.280 nan 0.000 0.460 1040 V N 2.410 122.522 119.914 0.330 0.000 2.531 1040 V HA 0.525 4.645 4.120 -0.001 0.000 0.301 1040 V C -0.676 175.501 176.094 0.139 0.000 1.034 1040 V CA -0.914 61.473 62.300 0.145 0.000 0.865 1040 V CB 1.834 33.678 31.823 0.035 0.000 0.995 1040 V HN 0.830 nan 8.190 nan 0.000 0.424 1041 S N 3.391 119.177 115.700 0.143 0.000 2.525 1041 S HA 0.749 5.219 4.470 -0.001 0.000 0.290 1041 S C -0.279 174.254 174.600 -0.112 0.000 1.152 1041 S CA -0.612 57.601 58.200 0.021 0.000 1.072 1041 S CB 1.675 64.970 63.200 0.158 0.000 1.027 1041 S HN 0.561 nan 8.310 nan 0.000 0.500 1042 S N 2.199 117.702 115.700 -0.329 0.000 2.503 1042 S HA 0.559 5.029 4.470 -0.001 0.000 0.301 1042 S C -0.967 173.291 174.600 -0.570 0.000 1.087 1042 S CA -0.772 57.268 58.200 -0.267 0.000 1.042 1042 S CB 0.581 63.702 63.200 -0.132 0.000 1.043 1042 S HN 0.786 nan 8.310 nan 0.000 0.489 1043 H N 0.516 119.574 119.070 -0.021 0.000 2.771 1043 H HA 0.425 4.980 4.556 -0.001 0.000 0.361 1043 H C -0.354 174.968 175.328 -0.010 0.000 1.108 1043 H CA -0.557 55.482 56.048 -0.015 0.000 1.201 1043 H CB 1.786 31.541 29.762 -0.013 0.000 1.681 1043 H HN 0.467 nan 8.280 nan 0.000 0.534 1044 S N 0.000 115.747 115.700 0.079 0.000 2.498 1044 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.230 58.200 0.051 0.000 1.107 1044 S CB 0.000 63.219 63.200 0.032 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517