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 2f7p_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 1.392 121.220 119.800 0.046 0.000 2.392 32 Q HA 0.160 4.499 4.340 -0.001 0.000 0.262 32 Q C -0.238 175.792 176.000 0.051 0.000 1.003 32 Q CA 0.309 56.155 55.803 0.071 0.000 0.888 32 Q CB 0.854 29.672 28.738 0.133 0.000 1.260 32 Q HN 0.656 nan 8.270 nan 0.000 0.435 33 D N 1.680 122.112 120.400 0.053 0.000 2.325 33 D HA 0.063 4.702 4.640 -0.001 0.000 0.251 33 D C 0.488 176.836 176.300 0.079 0.000 1.196 33 D CA -0.224 53.789 54.000 0.022 0.000 0.866 33 D CB 1.309 42.123 40.800 0.023 0.000 1.101 33 D HN 0.385 nan 8.370 nan 0.000 0.476 34 V N 2.179 122.093 119.914 0.000 0.000 3.647 34 V HA 0.092 4.211 4.120 -0.001 0.000 0.279 34 V C 1.113 177.258 176.094 0.085 0.000 1.314 34 V CA 0.100 62.458 62.300 0.096 0.000 1.125 34 V CB 0.204 31.904 31.823 -0.206 0.000 0.907 34 V HN 0.388 nan 8.190 nan 0.000 0.434 35 V N 0.017 119.898 119.914 -0.055 0.000 2.806 35 V HA 0.089 4.208 4.120 -0.001 0.000 0.239 35 V C 2.306 178.389 176.094 -0.018 0.000 1.113 35 V CA 1.255 63.481 62.300 -0.123 0.000 1.137 35 V CB 0.021 31.719 31.823 -0.209 0.000 0.865 35 V HN 0.483 nan 8.190 nan 0.000 0.482 36 Q N -0.251 119.582 119.800 0.055 0.000 2.384 36 Q HA 0.120 4.460 4.340 -0.001 0.000 0.207 36 Q C -0.463 175.623 176.000 0.143 0.000 0.904 36 Q CA 0.313 56.167 55.803 0.085 0.000 0.933 36 Q CB 0.565 29.324 28.738 0.036 0.000 1.077 36 Q HN 0.500 nan 8.270 nan 0.000 0.522 37 D N 1.266 121.782 120.400 0.194 0.000 2.441 37 D HA 0.179 4.819 4.640 -0.001 0.000 0.231 37 D C -0.708 175.700 176.300 0.180 0.000 1.073 37 D CA -0.250 53.846 54.000 0.159 0.000 0.850 37 D CB 2.112 42.983 40.800 0.119 0.000 1.062 37 D HN -0.168 nan 8.370 nan 0.000 0.524 38 V N 4.532 124.519 119.914 0.121 0.000 2.479 38 V HA 0.128 4.247 4.120 -0.001 0.000 0.281 38 V C -1.883 174.185 176.094 -0.042 0.000 1.031 38 V CA -1.130 61.160 62.300 -0.016 0.000 1.038 38 V CB 0.530 32.354 31.823 0.001 0.000 0.981 38 V HN 0.296 nan 8.190 nan 0.000 0.478 39 P HA 0.096 nan 4.420 nan 0.000 0.268 39 P C -0.500 176.770 177.300 -0.049 0.000 1.205 39 P CA -0.176 62.891 63.100 -0.056 0.000 0.771 39 P CB 0.376 32.025 31.700 -0.084 0.000 0.858 40 N N 2.710 121.397 118.700 -0.022 0.000 2.462 40 N HA 0.333 5.073 4.740 -0.001 0.000 0.242 40 N C -1.083 174.418 175.510 -0.014 0.000 1.010 40 N CA -0.442 52.598 53.050 -0.017 0.000 0.939 40 N CB 0.075 38.561 38.487 -0.002 0.000 1.127 40 N HN 0.109 nan 8.380 nan 0.000 0.509 41 V N 0.418 120.316 119.914 -0.026 0.000 3.001 41 V HA 0.544 4.663 4.120 -0.001 0.000 0.314 41 V C 0.586 176.666 176.094 -0.023 0.000 1.099 41 V CA -0.742 61.546 62.300 -0.020 0.000 0.989 41 V CB 2.041 33.841 31.823 -0.038 0.000 1.040 41 V HN 0.386 nan 8.190 nan 0.000 0.434 42 D N 0.856 121.249 120.400 -0.012 0.000 2.144 42 D HA 0.026 4.665 4.640 -0.001 0.000 0.200 42 D C 0.470 176.741 176.300 -0.049 0.000 0.978 42 D CA 1.584 55.574 54.000 -0.017 0.000 0.833 42 D CB 0.498 41.304 40.800 0.009 0.000 0.961 42 D HN 0.416 nan 8.370 nan 0.000 0.470 43 V N 1.540 121.404 119.914 -0.084 0.000 2.482 43 V HA 0.202 4.322 4.120 -0.001 0.000 0.295 43 V C -0.391 175.609 176.094 -0.156 0.000 1.026 43 V CA -0.751 61.470 62.300 -0.132 0.000 0.856 43 V CB 2.391 34.091 31.823 -0.206 0.000 1.001 43 V HN -0.086 nan 8.190 nan 0.000 0.424 44 Q N 4.635 124.355 119.800 -0.133 0.000 2.341 44 Q HA 0.441 4.780 4.340 -0.001 0.000 0.268 44 Q C 0.433 176.339 176.000 -0.156 0.000 1.013 44 Q CA -0.692 55.025 55.803 -0.143 0.000 0.798 44 Q CB 1.898 30.572 28.738 -0.106 0.000 1.253 44 Q HN 0.675 nan 8.270 nan 0.000 0.457 45 M N 3.092 122.552 119.600 -0.232 0.000 2.213 45 M HA -0.157 4.322 4.480 -0.001 0.000 0.263 45 M C 1.596 177.797 176.300 -0.165 0.000 1.062 45 M CA 0.946 56.096 55.300 -0.249 0.000 1.105 45 M CB -0.778 31.537 32.600 -0.476 0.000 1.385 45 M HN 0.559 nan 8.290 nan 0.000 0.417 46 L N 0.660 121.780 121.223 -0.172 0.000 2.093 46 L HA -0.113 4.227 4.340 -0.001 0.000 0.208 46 L C 2.467 179.334 176.870 -0.005 0.000 1.085 46 L CA 1.769 56.541 54.840 -0.113 0.000 0.755 46 L CB -0.620 41.347 42.059 -0.153 0.000 0.904 46 L HN 0.254 nan 8.230 nan 0.000 0.435 47 E N -0.372 119.810 120.200 -0.030 0.000 2.072 47 E HA -0.222 4.127 4.350 -0.001 0.000 0.191 47 E C 2.194 178.807 176.600 0.022 0.000 0.985 47 E CA 1.361 57.756 56.400 -0.008 0.000 0.801 47 E CB -0.260 29.421 29.700 -0.032 0.000 0.750 47 E HN 0.452 nan 8.360 nan 0.000 0.452 48 L N 0.506 121.742 121.223 0.021 0.000 2.012 48 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 48 L C 2.307 179.240 176.870 0.106 0.000 1.073 48 L CA 1.675 56.535 54.840 0.032 0.000 0.748 48 L CB -0.942 41.125 42.059 0.013 0.000 0.891 48 L HN 0.120 nan 8.230 nan 0.000 0.431 49 Y N -0.049 120.252 120.300 0.002 0.000 2.207 49 Y HA -0.273 4.276 4.550 -0.001 0.000 0.287 49 Y C 2.564 178.555 175.900 0.151 0.000 1.156 49 Y CA 1.779 59.968 58.100 0.149 0.000 1.182 49 Y CB -0.672 37.877 38.460 0.148 0.000 0.979 49 Y HN 0.371 nan 8.280 nan 0.000 0.521 50 D N -0.561 119.947 120.400 0.180 0.000 2.144 50 D HA -0.114 4.526 4.640 -0.001 0.000 0.200 50 D C 2.002 178.341 176.300 0.065 0.000 0.978 50 D CA 1.195 55.256 54.000 0.103 0.000 0.833 50 D CB 0.060 40.895 40.800 0.060 0.000 0.961 50 D HN 0.274 nan 8.370 nan 0.000 0.470 51 R N -0.964 119.556 120.500 0.033 0.000 2.140 51 R HA 0.173 4.512 4.340 -0.001 0.000 0.213 51 R C 0.921 177.198 176.300 -0.039 0.000 1.059 51 R CA 0.129 56.225 56.100 -0.006 0.000 1.000 51 R CB 0.072 30.355 30.300 -0.029 0.000 0.910 51 R HN 0.221 nan 8.270 nan 0.000 0.455 52 M N 0.846 120.390 119.600 -0.093 0.000 2.243 52 M HA -0.006 4.473 4.480 -0.001 0.000 0.341 52 M C 1.271 177.519 176.300 -0.087 0.000 1.130 52 M CA 0.314 55.466 55.300 -0.246 0.000 1.162 52 M CB 1.395 33.569 32.600 -0.708 0.000 1.497 52 M HN 0.055 nan 8.290 nan 0.000 0.456 53 S N 0.690 116.334 115.700 -0.094 0.000 2.517 53 S HA 0.109 4.579 4.470 -0.001 0.000 0.214 53 S C 0.553 175.267 174.600 0.191 0.000 0.991 53 S CA -0.303 57.939 58.200 0.070 0.000 0.906 53 S CB -0.205 63.007 63.200 0.020 0.000 0.789 53 S HN 0.740 nan 8.310 nan 0.000 0.513 54 F N 0.885 120.764 119.950 -0.118 0.000 3.093 54 F HA -0.150 4.376 4.527 -0.001 0.000 0.287 54 F C 0.196 176.007 175.800 0.018 0.000 0.882 54 F CA 0.342 58.279 58.000 -0.106 0.000 1.063 54 F CB -1.912 37.001 39.000 -0.145 0.000 1.097 54 F HN 0.121 nan 8.300 nan 0.000 0.604 55 K N 1.045 121.526 120.400 0.135 0.000 2.350 55 K HA 0.157 4.476 4.320 -0.001 0.000 0.279 55 K C 0.290 177.003 176.600 0.187 0.000 1.027 55 K CA -0.195 56.177 56.287 0.141 0.000 0.969 55 K CB 0.617 33.161 32.500 0.073 0.000 0.954 55 K HN 0.062 nan 8.250 nan 0.000 0.474 56 D N 3.656 124.181 120.400 0.208 0.000 2.564 56 D HA 0.126 4.765 4.640 -0.001 0.000 0.226 56 D C -0.158 176.190 176.300 0.081 0.000 1.149 56 D CA -0.383 53.743 54.000 0.211 0.000 0.994 56 D CB -0.490 40.441 40.800 0.218 0.000 1.029 56 D HN 0.515 nan 8.370 nan 0.000 0.517 57 I N -0.822 119.783 120.570 0.058 0.000 2.577 57 I HA 0.421 4.590 4.170 -0.001 0.000 0.305 57 I C -0.177 175.933 176.117 -0.013 0.000 0.986 57 I CA -0.796 60.515 61.300 0.018 0.000 1.189 57 I CB 1.596 39.605 38.000 0.016 0.000 1.355 57 I HN -0.111 nan 8.210 nan 0.000 0.476 58 D N 4.399 124.789 120.400 -0.016 0.000 2.346 58 D HA 0.165 4.805 4.640 -0.001 0.000 0.260 58 D C 0.869 177.155 176.300 -0.024 0.000 1.252 58 D CA 0.111 54.095 54.000 -0.027 0.000 0.895 58 D CB 1.391 42.183 40.800 -0.014 0.000 1.097 58 D HN 0.800 nan 8.370 nan 0.000 0.489 59 G N 2.426 111.194 108.800 -0.053 0.000 2.985 59 G HA2 0.426 4.385 3.960 -0.001 0.000 0.209 59 G HA3 0.426 4.385 3.960 -0.001 0.000 0.209 59 G C 0.886 175.783 174.900 -0.004 0.000 1.165 59 G CA 0.373 45.444 45.100 -0.048 0.000 0.776 59 G HN 0.906 nan 8.290 nan 0.000 0.541 60 G N -0.618 108.185 108.800 0.006 0.000 2.445 60 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.212 60 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.212 60 G C 1.179 176.098 174.900 0.033 0.000 1.217 60 G CA 0.645 45.761 45.100 0.026 0.000 1.002 60 G HN 1.095 nan 8.290 nan 0.000 0.574 61 V N -3.597 116.336 119.914 0.031 0.000 2.392 61 V HA 0.071 4.191 4.120 -0.001 0.000 0.249 61 V C 1.454 177.576 176.094 0.046 0.000 1.059 61 V CA 2.425 64.727 62.300 0.003 0.000 1.051 61 V CB -0.563 31.229 31.823 -0.051 0.000 0.658 61 V HN 1.425 nan 8.190 nan 0.000 0.455 62 W N 2.667 123.876 121.300 -0.152 0.000 2.365 62 W HA 0.430 5.089 4.660 -0.001 0.000 0.371 62 W C 1.130 177.607 176.519 -0.069 0.000 1.006 62 W CA -1.762 55.481 57.345 -0.169 0.000 1.528 62 W CB 0.238 29.567 29.460 -0.218 0.000 1.497 62 W HN 0.073 nan 8.180 nan 0.000 0.367 63 K N 2.731 123.215 120.400 0.140 0.000 2.152 63 K HA -0.189 4.131 4.320 -0.001 0.000 0.206 63 K C 0.819 177.341 176.600 -0.130 0.000 1.048 63 K CA 1.491 57.768 56.287 -0.016 0.000 0.933 63 K CB 0.156 32.641 32.500 -0.026 0.000 0.721 63 K HN 0.563 nan 8.250 nan 0.000 0.447 64 Q N -0.766 118.920 119.800 -0.190 0.000 2.172 64 Q HA 0.157 4.496 4.340 -0.001 0.000 0.217 64 Q C 0.766 176.430 176.000 -0.561 0.000 0.832 64 Q CA -0.357 55.316 55.803 -0.217 0.000 1.010 64 Q CB 1.355 30.101 28.738 0.013 0.000 1.133 64 Q HN 0.223 nan 8.270 nan 0.000 0.489 65 G N 0.598 108.630 108.800 -1.281 0.000 3.407 65 G HA2 0.533 4.493 3.960 -0.001 0.000 0.187 65 G HA3 0.533 4.493 3.960 -0.001 0.000 0.187 65 G C -1.424 173.136 174.900 -0.568 0.000 1.262 65 G CA -0.325 43.691 45.100 -1.807 0.000 0.808 65 G HN 0.351 nan 8.290 nan 0.000 0.687 66 W N -1.516 119.470 121.300 -0.524 0.000 2.988 66 W HA 0.636 5.296 4.660 -0.001 0.000 0.355 66 W C -1.495 175.100 176.519 0.127 0.000 1.233 66 W CA -1.166 56.113 57.345 -0.110 0.000 1.176 66 W CB 0.665 30.080 29.460 -0.075 0.000 1.477 66 W HN 0.185 nan 8.180 nan 0.000 0.582 67 N N 2.080 120.923 118.700 0.238 0.000 2.402 67 N HA 0.226 4.966 4.740 -0.001 0.000 0.259 67 N C -0.303 175.339 175.510 0.220 0.000 1.167 67 N CA -0.002 53.145 53.050 0.162 0.000 0.949 67 N CB 0.263 38.848 38.487 0.164 0.000 1.212 67 N HN 0.412 nan 8.380 nan 0.000 0.493 68 I N 2.026 122.636 120.570 0.065 0.000 2.588 68 I HA -0.000 4.169 4.170 -0.001 0.000 0.283 68 I C 0.812 177.087 176.117 0.262 0.000 1.119 68 I CA 0.375 61.789 61.300 0.189 0.000 1.419 68 I CB 0.479 38.541 38.000 0.103 0.000 1.394 68 I HN 0.128 nan 8.210 nan 0.000 0.562 69 K N 5.975 126.564 120.400 0.316 0.000 2.318 69 K HA 0.604 4.923 4.320 -0.001 0.000 0.249 69 K C -1.364 175.393 176.600 0.262 0.000 0.942 69 K CA -0.697 55.703 56.287 0.188 0.000 0.808 69 K CB 2.316 34.895 32.500 0.132 0.000 1.189 69 K HN 0.485 nan 8.250 nan 0.000 0.428 70 Y N -1.912 118.477 120.300 0.149 0.000 2.588 70 Y HA 0.437 4.986 4.550 -0.001 0.000 0.343 70 Y C -1.142 174.827 175.900 0.115 0.000 1.065 70 Y CA -1.556 56.632 58.100 0.145 0.000 1.038 70 Y CB 1.164 39.734 38.460 0.183 0.000 1.297 70 Y HN 0.397 nan 8.280 nan 0.000 0.467 71 D N 3.982 124.528 120.400 0.244 0.000 2.347 71 D HA 0.277 4.917 4.640 -0.001 0.000 0.235 71 D C -1.622 174.836 176.300 0.263 0.000 1.149 71 D CA -2.750 51.334 54.000 0.141 0.000 0.850 71 D CB 1.503 42.357 40.800 0.091 0.000 1.061 71 D HN 0.436 nan 8.370 nan 0.000 0.487 72 P HA -0.143 nan 4.420 nan 0.000 0.218 72 P C 1.369 178.814 177.300 0.241 0.000 1.146 72 P CA 0.779 64.077 63.100 0.331 0.000 0.813 72 P CB 0.327 32.157 31.700 0.217 0.000 0.778 73 L N -0.687 120.621 121.223 0.142 0.000 2.599 73 L HA 0.061 4.401 4.340 -0.001 0.000 0.230 73 L C 2.684 179.579 176.870 0.042 0.000 1.141 73 L CA 0.460 55.358 54.840 0.095 0.000 0.877 73 L CB -0.707 41.389 42.059 0.062 0.000 1.009 73 L HN -0.015 nan 8.230 nan 0.000 0.447 74 K N 0.554 120.937 120.400 -0.028 0.000 2.057 74 K HA -0.137 4.183 4.320 -0.001 0.000 0.207 74 K C -0.027 176.379 176.600 -0.325 0.000 1.049 74 K CA 1.100 57.242 56.287 -0.242 0.000 0.931 74 K CB 0.074 32.318 32.500 -0.427 0.000 0.714 74 K HN 0.088 nan 8.250 nan 0.000 0.440 75 Y N 0.780 121.200 120.300 0.200 0.000 2.352 75 Y HA 0.265 4.815 4.550 -0.000 0.000 0.326 75 Y C 0.125 176.107 175.900 0.137 0.000 1.166 75 Y CA -1.037 57.174 58.100 0.184 0.000 1.182 75 Y CB 1.218 39.732 38.460 0.091 0.000 1.216 75 Y HN 0.270 nan 8.280 nan 0.000 0.474 76 N N -0.903 117.955 118.700 0.263 0.000 3.364 76 N HA 0.503 5.243 4.740 -0.001 0.000 0.294 76 N C -0.021 175.526 175.510 0.061 0.000 1.562 76 N CA -0.453 52.680 53.050 0.138 0.000 0.862 76 N CB 0.337 38.893 38.487 0.115 0.000 1.691 76 N HN 0.496 nan 8.380 nan 0.000 0.572 77 A N -1.284 121.489 122.820 -0.078 0.000 2.024 77 A HA -0.171 4.148 4.320 -0.001 0.000 0.220 77 A C 0.906 178.355 177.584 -0.224 0.000 1.164 77 A CA 1.308 53.223 52.037 -0.204 0.000 0.643 77 A CB -1.047 17.746 19.000 -0.345 0.000 0.806 77 A HN 0.678 nan 8.150 nan 0.000 0.451 78 H N -2.783 116.343 119.070 0.094 0.000 2.539 78 H HA 0.141 4.697 4.556 -0.001 0.000 0.269 78 H C -0.355 175.078 175.328 0.174 0.000 0.980 78 H CA 0.753 56.861 56.048 0.101 0.000 1.152 78 H CB 0.126 29.936 29.762 0.080 0.000 1.407 78 H HN 0.705 nan 8.280 nan 0.000 0.564 79 H N 0.499 119.652 119.070 0.138 0.000 2.895 79 H HA 0.283 4.839 4.556 -0.000 0.000 0.282 79 H C -0.769 174.673 175.328 0.191 0.000 1.338 79 H CA -0.475 55.659 56.048 0.144 0.000 1.595 79 H CB 0.236 30.077 29.762 0.131 0.000 1.771 79 H HN -0.047 nan 8.280 nan 0.000 0.573 80 K N 2.169 122.528 120.400 -0.068 0.000 2.087 80 K HA 0.324 4.644 4.320 -0.001 0.000 0.255 80 K C -0.663 175.799 176.600 -0.231 0.000 0.988 80 K CA -1.271 54.963 56.287 -0.089 0.000 0.915 80 K CB 1.733 34.171 32.500 -0.104 0.000 1.043 80 K HN 0.221 nan 8.250 nan 0.000 0.457 81 L N 2.433 123.430 121.223 -0.376 0.000 2.278 81 L HA 0.156 4.495 4.340 -0.001 0.000 0.287 81 L C -0.884 175.751 176.870 -0.392 0.000 1.072 81 L CA 0.278 54.809 54.840 -0.516 0.000 0.819 81 L CB 0.140 41.651 42.059 -0.913 0.000 1.176 81 L HN 0.385 nan 8.230 nan 0.000 0.435 82 K N 4.616 124.806 120.400 -0.350 0.000 2.234 82 K HA 0.527 4.846 4.320 -0.001 0.000 0.277 82 K C -1.132 175.134 176.600 -0.556 0.000 1.038 82 K CA -0.579 55.441 56.287 -0.444 0.000 0.888 82 K CB 1.562 33.849 32.500 -0.355 0.000 1.091 82 K HN 0.399 nan 8.250 nan 0.000 0.467 83 V N 4.690 124.157 119.914 -0.745 0.000 2.448 83 V HA 0.371 4.490 4.120 -0.001 0.000 0.295 83 V C -0.896 174.655 176.094 -0.904 0.000 1.025 83 V CA -0.813 60.997 62.300 -0.817 0.000 0.859 83 V CB 0.674 31.831 31.823 -1.110 0.000 0.988 83 V HN 0.545 nan 8.190 nan 0.000 0.431 84 F N 3.682 123.379 119.950 -0.422 0.000 2.361 84 F HA 0.497 5.023 4.527 -0.001 0.000 0.364 84 F C 0.189 175.806 175.800 -0.306 0.000 1.117 84 F CA -0.705 57.103 58.000 -0.319 0.000 1.071 84 F CB 1.742 40.623 39.000 -0.199 0.000 1.188 84 F HN 0.184 nan 8.300 nan 0.000 0.464 85 V N 5.097 124.970 119.914 -0.068 0.000 2.385 85 V HA 0.288 4.408 4.120 -0.001 0.000 0.269 85 V C -0.178 176.018 176.094 0.170 0.000 1.043 85 V CA -0.595 61.733 62.300 0.047 0.000 0.906 85 V CB 1.210 33.135 31.823 0.169 0.000 0.995 85 V HN 0.429 nan 8.190 nan 0.000 0.467 86 V N 8.395 128.358 119.914 0.081 0.000 2.293 86 V HA 0.318 4.437 4.120 -0.001 0.000 0.275 86 V C -2.367 173.770 176.094 0.072 0.000 1.021 86 V CA -1.903 60.413 62.300 0.026 0.000 0.815 86 V CB 1.461 33.206 31.823 -0.130 0.000 1.025 86 V HN 0.723 nan 8.190 nan 0.000 0.448 87 P HA 0.347 nan 4.420 nan 0.000 0.271 87 P C -0.871 176.453 177.300 0.040 0.000 1.216 87 P CA 0.229 63.326 63.100 -0.006 0.000 0.776 87 P CB 0.392 31.908 31.700 -0.307 0.000 0.881 88 H N -1.211 117.876 119.070 0.027 0.000 2.990 88 H HA 0.791 5.346 4.556 -0.001 0.000 0.336 88 H C -1.517 173.925 175.328 0.189 0.000 1.306 88 H CA -1.105 54.858 56.048 -0.142 0.000 1.118 88 H CB 0.965 30.600 29.762 -0.211 0.000 1.856 88 H HN 0.202 nan 8.280 nan 0.000 0.538 89 S N 0.718 116.439 115.700 0.035 0.000 2.750 89 S HA 0.209 4.678 4.470 -0.001 0.000 0.276 89 S C -1.856 172.677 174.600 -0.111 0.000 1.165 89 S CA -0.666 57.594 58.200 0.100 0.000 1.047 89 S CB 0.166 63.610 63.200 0.406 0.000 1.056 89 S HN 0.857 nan 8.310 nan 0.000 0.481 90 H N 4.372 123.351 119.070 -0.152 0.000 2.800 90 H HA 0.439 4.994 4.556 -0.001 0.000 0.291 90 H C -0.129 174.809 175.328 -0.649 0.000 1.076 90 H CA 0.238 56.114 56.048 -0.287 0.000 1.452 90 H CB 0.302 29.971 29.762 -0.154 0.000 1.461 90 H HN 0.566 nan 8.280 nan 0.000 0.488 91 N N 5.664 123.737 118.700 -1.046 0.000 2.626 91 N HA 0.055 4.795 4.740 -0.001 0.000 0.242 91 N C -1.181 173.898 175.510 -0.720 0.000 1.005 91 N CA -0.597 51.703 53.050 -1.249 0.000 0.905 91 N CB 1.025 39.070 38.487 -0.737 0.000 1.128 91 N HN 0.671 nan 8.380 nan 0.000 0.512 92 D N 2.578 122.577 120.400 -0.669 0.000 2.371 92 D HA 0.089 4.728 4.640 -0.001 0.000 0.256 92 D C -2.085 174.285 176.300 0.117 0.000 1.193 92 D CA -0.739 53.139 54.000 -0.203 0.000 0.881 92 D CB 1.409 42.346 40.800 0.228 0.000 1.143 92 D HN 0.190 nan 8.370 nan 0.000 0.473 93 P HA 0.209 nan 4.420 nan 0.000 0.230 93 P C -0.102 177.393 177.300 0.326 0.000 1.791 93 P CA -0.038 63.094 63.100 0.054 0.000 1.020 93 P CB 0.301 31.901 31.700 -0.167 0.000 1.977 94 G N 0.422 109.583 108.800 0.602 0.000 3.069 94 G HA2 0.024 3.984 3.960 -0.001 0.000 0.686 94 G HA3 0.024 3.984 3.960 -0.001 0.000 0.686 94 G C -1.133 174.287 174.900 0.867 0.000 1.161 94 G CA -0.683 44.790 45.100 0.622 0.000 0.804 94 G HN 0.356 nan 8.290 nan 0.000 0.608 95 W N 2.528 124.163 121.300 0.558 0.000 4.491 95 W HA 0.313 4.973 4.660 -0.001 0.000 0.161 95 W C 0.866 177.567 176.519 0.303 0.000 3.471 95 W CA 0.883 58.531 57.345 0.504 0.000 1.147 95 W CB -0.730 29.108 29.460 0.631 0.000 2.109 95 W HN 0.497 nan 8.180 nan 0.000 0.361 96 I N 1.871 122.442 120.570 0.001 0.000 3.030 96 I HA 0.149 4.319 4.170 -0.001 0.000 0.270 96 I C 0.387 176.375 176.117 -0.215 0.000 1.211 96 I CA 1.054 62.170 61.300 -0.306 0.000 1.479 96 I CB -1.139 36.651 38.000 -0.351 0.000 1.105 96 I HN 0.107 nan 8.210 nan 0.000 0.447 97 Q N 0.002 119.520 119.800 -0.470 0.000 2.416 97 Q HA 0.374 4.713 4.340 -0.001 0.000 0.279 97 Q C 0.138 175.892 176.000 -0.410 0.000 1.101 97 Q CA -0.631 54.839 55.803 -0.555 0.000 0.830 97 Q CB 2.129 30.255 28.738 -1.021 0.000 1.402 97 Q HN 0.235 nan 8.270 nan 0.000 0.445 98 T N -2.116 112.312 114.554 -0.211 0.000 2.766 98 T HA 0.106 4.456 4.350 -0.001 0.000 0.295 98 T C 0.793 175.583 174.700 0.150 0.000 1.024 98 T CA -0.450 61.605 62.100 -0.075 0.000 1.018 98 T CB 0.301 69.155 68.868 -0.024 0.000 1.002 98 T HN 0.570 nan 8.240 nan 0.000 0.532 99 F N 1.168 121.182 119.950 0.106 0.000 2.063 99 F HA -0.144 4.382 4.527 -0.001 0.000 0.298 99 F C 2.458 178.439 175.800 0.301 0.000 1.109 99 F CA 2.358 60.495 58.000 0.228 0.000 1.212 99 F CB -0.346 38.672 39.000 0.030 0.000 0.973 99 F HN 0.767 nan 8.300 nan 0.000 0.480 100 E N 0.384 120.794 120.200 0.350 0.000 2.106 100 E HA -0.169 4.180 4.350 -0.001 0.000 0.192 100 E C 2.016 178.668 176.600 0.085 0.000 0.984 100 E CA 1.678 58.224 56.400 0.245 0.000 0.806 100 E CB -0.268 29.568 29.700 0.227 0.000 0.750 100 E HN 0.614 nan 8.360 nan 0.000 0.458 101 E N -1.037 119.161 120.200 -0.005 0.000 2.051 101 E HA -0.188 4.161 4.350 -0.001 0.000 0.192 101 E C 1.825 178.253 176.600 -0.287 0.000 0.991 101 E CA 1.161 57.415 56.400 -0.244 0.000 0.799 101 E CB -0.241 29.388 29.700 -0.118 0.000 0.748 101 E HN 0.342 nan 8.360 nan 0.000 0.449 102 Y N -0.558 119.706 120.300 -0.061 0.000 2.224 102 Y HA -0.247 4.302 4.550 -0.001 0.000 0.289 102 Y C 2.194 178.027 175.900 -0.111 0.000 1.146 102 Y CA 1.196 59.241 58.100 -0.093 0.000 1.182 102 Y CB -0.707 37.776 38.460 0.038 0.000 0.983 102 Y HN 0.189 nan 8.280 nan 0.000 0.524 103 Y N 0.905 121.210 120.300 0.009 0.000 2.128 103 Y HA -0.282 4.267 4.550 -0.001 0.000 0.284 103 Y C 2.273 178.120 175.900 -0.088 0.000 1.154 103 Y CA 1.868 59.922 58.100 -0.077 0.000 1.149 103 Y CB -0.355 38.060 38.460 -0.075 0.000 0.976 103 Y HN 0.055 nan 8.280 nan 0.000 0.505 104 Q N -0.674 119.006 119.800 -0.201 0.000 2.119 104 Q HA -0.160 4.179 4.340 -0.001 0.000 0.201 104 Q C 2.067 178.005 176.000 -0.103 0.000 0.972 104 Q CA 2.125 57.779 55.803 -0.249 0.000 0.847 104 Q CB -0.535 28.093 28.738 -0.183 0.000 0.903 104 Q HN 0.780 nan 8.270 nan 0.000 0.433 105 H N -0.795 118.293 119.070 0.030 0.000 2.497 105 H HA 0.067 4.623 4.556 -0.001 0.000 0.282 105 H C 0.922 176.348 175.328 0.164 0.000 1.003 105 H CA 0.615 56.719 56.048 0.094 0.000 1.307 105 H CB 0.678 30.460 29.762 0.034 0.000 1.437 105 H HN 0.190 nan 8.280 nan 0.000 0.544 106 D N -1.034 119.473 120.400 0.178 0.000 3.081 106 D HA 0.009 4.649 4.640 -0.001 0.000 0.243 106 D C 1.708 178.061 176.300 0.088 0.000 1.388 106 D CA 0.557 54.653 54.000 0.160 0.000 1.245 106 D CB 0.026 40.838 40.800 0.020 0.000 1.319 106 D HN 0.067 nan 8.370 nan 0.000 0.377 107 T N 2.520 117.042 114.554 -0.053 0.000 2.821 107 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 107 T C 1.942 176.461 174.700 -0.301 0.000 1.046 107 T CA 1.401 63.426 62.100 -0.125 0.000 1.139 107 T CB -0.068 68.568 68.868 -0.387 0.000 0.871 107 T HN 0.247 nan 8.240 nan 0.000 0.454 108 K N 0.825 120.862 120.400 -0.605 0.000 2.148 108 K HA -0.153 4.167 4.320 -0.001 0.000 0.204 108 K C 1.935 178.259 176.600 -0.460 0.000 1.050 108 K CA 1.401 57.300 56.287 -0.646 0.000 0.942 108 K CB -0.383 31.520 32.500 -0.994 0.000 0.724 108 K HN 0.391 nan 8.250 nan 0.000 0.446 109 H N 1.055 120.043 119.070 -0.136 0.000 2.363 109 H HA 0.040 4.596 4.556 -0.001 0.000 0.301 109 H C 2.304 177.628 175.328 -0.007 0.000 1.074 109 H CA 1.433 57.461 56.048 -0.034 0.000 1.354 109 H CB -0.184 29.587 29.762 0.015 0.000 1.397 109 H HN 0.194 nan 8.280 nan 0.000 0.516 110 I N 0.749 121.393 120.570 0.124 0.000 2.163 110 I HA -0.272 3.897 4.170 -0.001 0.000 0.243 110 I C 2.419 178.547 176.117 0.019 0.000 1.085 110 I CA 1.128 62.553 61.300 0.208 0.000 1.347 110 I CB -0.256 37.938 38.000 0.323 0.000 1.044 110 I HN 0.093 nan 8.210 nan 0.000 0.408 111 L N -0.492 120.514 121.223 -0.362 0.000 2.156 111 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 111 L C 2.652 179.172 176.870 -0.584 0.000 1.095 111 L CA 0.878 55.269 54.840 -0.749 0.000 0.770 111 L CB -0.447 40.582 42.059 -1.717 0.000 0.914 111 L HN 0.154 nan 8.230 nan 0.000 0.439 112 S N -0.043 115.432 115.700 -0.376 0.000 2.356 112 S HA -0.135 4.334 4.470 -0.001 0.000 0.223 112 S C 1.755 176.315 174.600 -0.068 0.000 1.032 112 S CA 1.241 59.450 58.200 0.014 0.000 1.005 112 S CB -0.233 63.034 63.200 0.112 0.000 0.867 112 S HN 0.450 nan 8.310 nan 0.000 0.449 113 N N 1.511 120.160 118.700 -0.086 0.000 2.270 113 N HA 0.062 4.801 4.740 -0.001 0.000 0.181 113 N C 1.812 176.949 175.510 -0.621 0.000 1.016 113 N CA 1.049 53.963 53.050 -0.227 0.000 0.870 113 N CB -0.443 38.027 38.487 -0.029 0.000 0.979 113 N HN 0.386 nan 8.380 nan 0.000 0.431 114 A N 1.288 123.794 122.820 -0.523 0.000 1.902 114 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 114 A C 2.223 179.496 177.584 -0.518 0.000 1.181 114 A CA 0.914 52.450 52.037 -0.834 0.000 0.623 114 A CB -0.678 18.135 19.000 -0.311 0.000 0.818 114 A HN 0.222 nan 8.150 nan 0.000 0.443 115 L N -0.049 121.028 121.223 -0.242 0.000 2.017 115 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 115 L C 2.459 179.254 176.870 -0.125 0.000 1.073 115 L CA 2.419 57.202 54.840 -0.095 0.000 0.745 115 L CB -0.630 41.449 42.059 0.032 0.000 0.894 115 L HN 0.445 nan 8.230 nan 0.000 0.432 116 R N -1.353 119.043 120.500 -0.173 0.000 2.066 116 R HA -0.228 4.112 4.340 -0.001 0.000 0.232 116 R C 2.360 178.564 176.300 -0.160 0.000 1.131 116 R CA 2.023 58.045 56.100 -0.131 0.000 0.955 116 R CB -0.707 29.526 30.300 -0.112 0.000 0.851 116 R HN 0.559 nan 8.270 nan 0.000 0.432 117 H N 0.401 119.182 119.070 -0.481 0.000 2.321 117 H HA 0.008 4.563 4.556 -0.001 0.000 0.300 117 H C 2.155 177.279 175.328 -0.340 0.000 1.087 117 H CA 2.167 57.922 56.048 -0.489 0.000 1.319 117 H CB -0.128 29.078 29.762 -0.927 0.000 1.379 117 H HN 0.113 nan 8.280 nan 0.000 0.501 118 L N -0.614 120.441 121.223 -0.281 0.000 2.056 118 L HA -0.218 4.121 4.340 -0.001 0.000 0.207 118 L C 2.607 179.433 176.870 -0.074 0.000 1.078 118 L CA 1.544 56.296 54.840 -0.147 0.000 0.749 118 L CB -0.701 41.289 42.059 -0.115 0.000 0.901 118 L HN 0.522 nan 8.230 nan 0.000 0.433 119 H N 0.574 119.563 119.070 -0.136 0.000 2.319 119 H HA -0.211 4.345 4.556 -0.001 0.000 0.297 119 H C 1.284 176.551 175.328 -0.102 0.000 1.097 119 H CA 2.104 58.098 56.048 -0.090 0.000 1.285 119 H CB 0.209 29.927 29.762 -0.075 0.000 1.368 119 H HN 0.338 nan 8.280 nan 0.000 0.495 120 D N 0.322 120.644 120.400 -0.130 0.000 2.347 120 D HA 0.002 4.641 4.640 -0.001 0.000 0.213 120 D C -0.045 176.127 176.300 -0.214 0.000 0.985 120 D CA 0.465 54.347 54.000 -0.196 0.000 0.879 120 D CB 0.026 40.735 40.800 -0.152 0.000 0.919 120 D HN 0.336 nan 8.370 nan 0.000 0.526 121 N N 0.719 119.295 118.700 -0.206 0.000 2.716 121 N HA 0.143 4.883 4.740 -0.001 0.000 0.253 121 N C -2.195 173.278 175.510 -0.061 0.000 1.170 121 N CA -1.084 51.888 53.050 -0.130 0.000 0.807 121 N CB 2.396 40.786 38.487 -0.162 0.000 1.183 121 N HN -0.144 nan 8.380 nan 0.000 0.524 122 P HA -0.119 nan 4.420 nan 0.000 0.218 122 P C 0.890 178.211 177.300 0.034 0.000 1.146 122 P CA 1.282 64.370 63.100 -0.021 0.000 0.813 122 P CB 0.526 32.207 31.700 -0.031 0.000 0.778 123 E N -1.720 118.530 120.200 0.084 0.000 2.478 123 E HA 0.064 4.413 4.350 -0.001 0.000 0.194 123 E C 0.825 177.566 176.600 0.234 0.000 1.045 123 E CA 0.046 56.545 56.400 0.164 0.000 0.868 123 E CB -0.383 29.447 29.700 0.217 0.000 0.885 123 E HN 0.263 nan 8.360 nan 0.000 0.505 124 M N 1.530 121.203 119.600 0.122 0.000 2.242 124 M HA 0.120 4.599 4.480 -0.001 0.000 0.344 124 M C -0.348 175.949 176.300 -0.006 0.000 1.140 124 M CA 0.176 55.453 55.300 -0.038 0.000 1.160 124 M CB 0.515 33.097 32.600 -0.028 0.000 1.491 124 M HN -0.364 nan 8.290 nan 0.000 0.459 125 K N 2.953 123.313 120.400 -0.066 0.000 2.444 125 K HA 0.657 4.977 4.320 -0.001 0.000 0.252 125 K C -1.741 174.906 176.600 0.079 0.000 0.993 125 K CA -0.465 55.839 56.287 0.029 0.000 0.847 125 K CB 2.126 34.666 32.500 0.067 0.000 1.340 125 K HN 0.678 nan 8.250 nan 0.000 0.446 126 F N 1.310 121.186 119.950 -0.123 0.000 2.672 126 F HA 0.457 4.984 4.527 -0.001 0.000 0.311 126 F C -1.492 174.208 175.800 -0.167 0.000 1.113 126 F CA -1.244 56.670 58.000 -0.142 0.000 0.996 126 F CB 1.030 40.025 39.000 -0.008 0.000 1.286 126 F HN 0.454 nan 8.300 nan 0.000 0.441 127 I N 1.652 121.894 120.570 -0.547 0.000 2.693 127 I HA 0.617 4.786 4.170 -0.001 0.000 0.303 127 I C -1.765 173.923 176.117 -0.714 0.000 1.025 127 I CA -0.635 60.306 61.300 -0.598 0.000 1.086 127 I CB 2.592 40.173 38.000 -0.698 0.000 1.268 127 I HN 0.697 nan 8.210 nan 0.000 0.440 128 W N 4.272 125.188 121.300 -0.640 0.000 2.957 128 W HA 0.630 5.290 4.660 -0.001 0.000 0.336 128 W C -0.751 175.686 176.519 -0.137 0.000 1.087 128 W CA -0.530 56.571 57.345 -0.406 0.000 1.235 128 W CB 2.690 31.974 29.460 -0.292 0.000 1.399 128 W HN 0.789 nan 8.180 nan 0.000 0.480 129 A N 3.431 125.882 122.820 -0.615 0.000 1.984 129 A HA 0.155 4.475 4.320 -0.001 0.000 0.203 129 A C -0.004 177.533 177.584 -0.077 0.000 1.292 129 A CA 0.524 52.435 52.037 -0.208 0.000 0.782 129 A CB 0.007 18.934 19.000 -0.121 0.000 0.924 129 A HN 0.504 nan 8.150 nan 0.000 0.475 130 E N 0.989 121.038 120.200 -0.251 0.000 2.001 130 E HA 0.313 4.662 4.350 -0.001 0.000 0.279 130 E C 0.436 177.207 176.600 0.285 0.000 1.045 130 E CA -0.298 56.127 56.400 0.042 0.000 0.833 130 E CB 0.785 30.501 29.700 0.027 0.000 1.077 130 E HN 0.268 nan 8.360 nan 0.000 0.397 131 I N 1.527 122.162 120.570 0.109 0.000 2.546 131 I HA -0.199 3.971 4.170 -0.001 0.000 0.255 131 I C 1.968 177.766 176.117 -0.531 0.000 1.163 131 I CA 0.934 62.227 61.300 -0.012 0.000 1.457 131 I CB -1.374 36.679 38.000 0.088 0.000 1.092 131 I HN 0.423 nan 8.210 nan 0.000 0.434 132 S N 1.090 116.166 115.700 -1.039 0.000 2.365 132 S HA -0.263 4.207 4.470 -0.001 0.000 0.225 132 S C 2.138 176.434 174.600 -0.507 0.000 1.039 132 S CA 1.295 58.486 58.200 -1.682 0.000 1.033 132 S CB -1.017 61.234 63.200 -1.581 0.000 0.887 132 S HN 0.364 nan 8.310 nan 0.000 0.447 133 Y N 0.595 120.901 120.300 0.010 0.000 2.220 133 Y HA 0.139 4.689 4.550 -0.001 0.000 0.291 133 Y C 2.225 178.163 175.900 0.062 0.000 1.129 133 Y CA 0.360 58.552 58.100 0.154 0.000 1.161 133 Y CB -0.954 37.701 38.460 0.324 0.000 0.997 133 Y HN 0.326 nan 8.280 nan 0.000 0.522 134 F N 0.080 120.093 119.950 0.105 0.000 2.134 134 F HA -0.191 4.335 4.527 -0.001 0.000 0.299 134 F C 2.342 177.951 175.800 -0.319 0.000 1.097 134 F CA 1.302 59.236 58.000 -0.111 0.000 1.264 134 F CB -0.475 38.452 39.000 -0.123 0.000 1.001 134 F HN -0.013 nan 8.300 nan 0.000 0.479 135 A N 0.185 122.632 122.820 -0.620 0.000 1.902 135 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 135 A C 2.159 179.595 177.584 -0.248 0.000 1.181 135 A CA 1.776 53.254 52.037 -0.932 0.000 0.623 135 A CB -0.768 17.565 19.000 -1.111 0.000 0.818 135 A HN 0.401 nan 8.150 nan 0.000 0.443 136 R N -1.160 119.245 120.500 -0.159 0.000 2.105 136 R HA -0.137 4.203 4.340 -0.001 0.000 0.239 136 R C 1.747 177.986 176.300 -0.103 0.000 1.135 136 R CA 2.003 58.026 56.100 -0.128 0.000 0.967 136 R CB -0.758 29.399 30.300 -0.238 0.000 0.861 136 R HN 0.487 nan 8.270 nan 0.000 0.442 137 F N -0.360 119.491 119.950 -0.165 0.000 2.098 137 F HA -0.094 4.432 4.527 -0.001 0.000 0.294 137 F C 1.924 177.629 175.800 -0.158 0.000 1.107 137 F CA 1.513 59.477 58.000 -0.061 0.000 1.234 137 F CB -0.869 38.025 39.000 -0.178 0.000 1.002 137 F HN 0.093 nan 8.300 nan 0.000 0.472 138 Y N 0.471 120.512 120.300 -0.432 0.000 2.165 138 Y HA -0.288 4.262 4.550 -0.001 0.000 0.286 138 Y C 2.752 178.448 175.900 -0.340 0.000 1.155 138 Y CA 2.361 60.202 58.100 -0.432 0.000 1.164 138 Y CB -0.783 37.557 38.460 -0.200 0.000 0.978 138 Y HN 0.155 nan 8.280 nan 0.000 0.513 139 H N -0.828 118.216 119.070 -0.043 0.000 2.491 139 H HA -0.086 4.470 4.556 -0.001 0.000 0.290 139 H C 1.125 176.340 175.328 -0.189 0.000 1.050 139 H CA 1.486 57.478 56.048 -0.093 0.000 1.309 139 H CB -0.090 29.672 29.762 -0.001 0.000 1.392 139 H HN 0.445 nan 8.280 nan 0.000 0.554 140 D N 0.029 120.338 120.400 -0.152 0.000 2.349 140 D HA 0.066 4.706 4.640 -0.001 0.000 0.215 140 D C 0.636 176.761 176.300 -0.292 0.000 1.016 140 D CA 0.060 53.957 54.000 -0.172 0.000 0.870 140 D CB 0.296 41.031 40.800 -0.109 0.000 0.917 140 D HN 0.189 nan 8.370 nan 0.000 0.524 141 L N 0.580 121.525 121.223 -0.463 0.000 2.417 141 L HA 0.304 4.644 4.340 -0.001 0.000 0.268 141 L C 1.390 178.071 176.870 -0.315 0.000 1.158 141 L CA -0.575 53.986 54.840 -0.465 0.000 0.819 141 L CB 0.824 42.516 42.059 -0.612 0.000 1.112 141 L HN -0.030 nan 8.230 nan 0.000 0.458 142 G N 0.756 109.419 108.800 -0.228 0.000 2.606 142 G HA2 0.033 3.992 3.960 -0.001 0.000 0.252 142 G HA3 0.033 3.992 3.960 -0.001 0.000 0.252 142 G C 0.651 175.453 174.900 -0.162 0.000 1.206 142 G CA -0.294 44.712 45.100 -0.156 0.000 0.861 142 G HN 0.801 nan 8.290 nan 0.000 0.561 143 E N 0.254 120.389 120.200 -0.109 0.000 2.085 143 E HA -0.213 4.136 4.350 -0.001 0.000 0.194 143 E C 2.207 178.768 176.600 -0.065 0.000 0.994 143 E CA 1.625 57.976 56.400 -0.081 0.000 0.801 143 E CB -0.120 29.558 29.700 -0.037 0.000 0.743 143 E HN 0.592 nan 8.360 nan 0.000 0.453 144 N N 0.094 118.757 118.700 -0.061 0.000 2.104 144 N HA -0.191 4.549 4.740 -0.001 0.000 0.190 144 N C 1.420 176.893 175.510 -0.062 0.000 1.024 144 N CA 1.301 54.321 53.050 -0.050 0.000 0.853 144 N CB 0.013 38.469 38.487 -0.053 0.000 1.008 144 N HN 0.027 nan 8.380 nan 0.000 0.424 145 K N 1.245 121.588 120.400 -0.094 0.000 2.103 145 K HA -0.013 4.306 4.320 -0.001 0.000 0.204 145 K C 2.030 178.590 176.600 -0.067 0.000 1.052 145 K CA 0.623 56.852 56.287 -0.096 0.000 0.945 145 K CB -0.192 32.228 32.500 -0.132 0.000 0.722 145 K HN 0.316 nan 8.250 nan 0.000 0.443 146 K N 0.761 121.080 120.400 -0.135 0.000 2.063 146 K HA -0.070 4.250 4.320 -0.001 0.000 0.208 146 K C 2.248 178.928 176.600 0.133 0.000 1.048 146 K CA 1.064 57.289 56.287 -0.103 0.000 0.928 146 K CB -0.175 32.165 32.500 -0.267 0.000 0.713 146 K HN 0.041 nan 8.250 nan 0.000 0.442 147 L N 0.978 122.244 121.223 0.071 0.000 2.056 147 L HA -0.215 4.124 4.340 -0.001 0.000 0.207 147 L C 2.550 179.482 176.870 0.103 0.000 1.078 147 L CA 1.266 56.163 54.840 0.096 0.000 0.749 147 L CB -0.386 41.706 42.059 0.055 0.000 0.901 147 L HN 0.257 nan 8.230 nan 0.000 0.433 148 Q N -0.855 118.984 119.800 0.065 0.000 2.084 148 Q HA -0.267 4.072 4.340 -0.001 0.000 0.202 148 Q C 2.205 178.287 176.000 0.137 0.000 0.978 148 Q CA 1.679 57.523 55.803 0.068 0.000 0.844 148 Q CB -0.206 28.504 28.738 -0.048 0.000 0.898 148 Q HN 0.368 nan 8.270 nan 0.000 0.426 149 M N 1.180 120.892 119.600 0.187 0.000 2.086 149 M HA -0.145 4.335 4.480 -0.001 0.000 0.261 149 M C 1.644 178.125 176.300 0.301 0.000 1.067 149 M CA 1.753 57.230 55.300 0.296 0.000 1.116 149 M CB 0.012 32.884 32.600 0.453 0.000 1.348 149 M HN -0.099 nan 8.290 nan 0.000 0.407 150 K N -1.076 119.501 120.400 0.294 0.000 2.097 150 K HA -0.132 4.188 4.320 -0.001 0.000 0.206 150 K C 2.272 178.968 176.600 0.160 0.000 1.049 150 K CA 1.542 57.969 56.287 0.232 0.000 0.933 150 K CB -0.399 32.224 32.500 0.205 0.000 0.717 150 K HN 0.408 nan 8.250 nan 0.000 0.442 151 S N 1.514 117.299 115.700 0.142 0.000 2.368 151 S HA -0.088 4.381 4.470 -0.001 0.000 0.224 151 S C 1.942 176.599 174.600 0.096 0.000 1.029 151 S CA 1.030 59.294 58.200 0.107 0.000 0.988 151 S CB -0.227 63.037 63.200 0.107 0.000 0.838 151 S HN 0.392 nan 8.310 nan 0.000 0.462 152 I N -0.937 119.700 120.570 0.112 0.000 2.676 152 I HA 0.049 4.219 4.170 -0.001 0.000 0.259 152 I C 1.837 177.988 176.117 0.055 0.000 1.194 152 I CA 0.690 62.037 61.300 0.079 0.000 1.473 152 I CB -0.343 37.705 38.000 0.079 0.000 1.096 152 I HN 0.097 nan 8.210 nan 0.000 0.443 153 V N 1.550 121.515 119.914 0.084 0.000 2.346 153 V HA -0.177 3.943 4.120 -0.001 0.000 0.244 153 V C 2.693 178.819 176.094 0.053 0.000 1.037 153 V CA 1.976 64.312 62.300 0.060 0.000 1.029 153 V CB -0.672 31.247 31.823 0.159 0.000 0.663 153 V HN 0.421 nan 8.190 nan 0.000 0.454 154 K N 0.652 121.093 120.400 0.068 0.000 2.097 154 K HA -0.173 4.146 4.320 -0.001 0.000 0.206 154 K C 1.323 177.940 176.600 0.028 0.000 1.049 154 K CA 1.996 58.310 56.287 0.047 0.000 0.933 154 K CB -0.164 32.366 32.500 0.050 0.000 0.717 154 K HN 0.566 nan 8.250 nan 0.000 0.442 155 N N -0.819 117.897 118.700 0.028 0.000 2.314 155 N HA 0.112 4.851 4.740 -0.001 0.000 0.200 155 N C 0.268 175.782 175.510 0.007 0.000 1.135 155 N CA 0.439 53.500 53.050 0.017 0.000 0.835 155 N CB 1.147 39.647 38.487 0.020 0.000 0.989 155 N HN 0.366 nan 8.380 nan 0.000 0.478 156 G N 0.648 109.448 108.800 -0.000 0.000 2.162 156 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.260 156 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.260 156 G C 0.871 175.758 174.900 -0.021 0.000 0.976 156 G CA 0.291 45.380 45.100 -0.018 0.000 0.655 156 G HN 0.399 nan 8.290 nan 0.000 0.533 157 Q N -1.361 118.434 119.800 -0.008 0.000 2.096 157 Q HA 0.231 4.570 4.340 -0.001 0.000 0.197 157 Q C 1.184 177.178 176.000 -0.009 0.000 0.964 157 Q CA 1.044 56.849 55.803 0.002 0.000 0.838 157 Q CB 0.228 28.973 28.738 0.012 0.000 0.906 157 Q HN 0.611 nan 8.270 nan 0.000 0.444 158 L N 1.185 122.382 121.223 -0.044 0.000 2.280 158 L HA 0.317 4.657 4.340 -0.001 0.000 0.287 158 L C -1.003 175.684 176.870 -0.304 0.000 1.023 158 L CA -0.129 54.639 54.840 -0.119 0.000 0.819 158 L CB 1.508 43.511 42.059 -0.094 0.000 1.212 158 L HN -0.087 nan 8.230 nan 0.000 0.420 159 E N 4.210 124.197 120.200 -0.355 0.000 2.187 159 E HA 0.370 4.719 4.350 -0.001 0.000 0.268 159 E C -1.438 174.878 176.600 -0.473 0.000 0.896 159 E CA -0.764 55.423 56.400 -0.355 0.000 0.766 159 E CB 0.982 30.556 29.700 -0.209 0.000 1.142 159 E HN 0.512 nan 8.360 nan 0.000 0.408 160 F N 3.225 123.124 119.950 -0.085 0.000 2.427 160 F HA 0.212 4.738 4.527 -0.001 0.000 0.352 160 F C 0.267 176.029 175.800 -0.064 0.000 1.100 160 F CA -0.527 57.434 58.000 -0.065 0.000 1.191 160 F CB 1.222 40.195 39.000 -0.045 0.000 1.128 160 F HN 0.180 nan 8.300 nan 0.000 0.533 161 V N 0.165 120.128 119.914 0.082 0.000 2.448 161 V HA 0.657 4.776 4.120 -0.001 0.000 0.295 161 V C 0.222 176.433 176.094 0.195 0.000 1.025 161 V CA -0.495 61.846 62.300 0.068 0.000 0.859 161 V CB 0.876 32.616 31.823 -0.140 0.000 0.988 161 V HN 0.978 nan 8.190 nan 0.000 0.431 162 T N 3.391 118.135 114.554 0.317 0.000 12.940 162 T HA -0.292 4.058 4.350 -0.001 0.000 0.419 162 T C 1.725 176.653 174.700 0.380 0.000 1.444 162 T CA 2.761 65.104 62.100 0.404 0.000 2.373 162 T CB -1.684 67.325 68.868 0.236 0.000 2.821 162 T HN 2.771 nan 8.240 nan 0.000 0.696 163 G N 1.789 110.751 108.800 0.270 0.000 2.136 163 G HA2 0.118 4.078 3.960 -0.001 0.000 0.242 163 G HA3 0.118 4.078 3.960 -0.001 0.000 0.242 163 G C 0.298 175.342 174.900 0.241 0.000 0.989 163 G CA 0.573 45.811 45.100 0.230 0.000 0.682 163 G HN 1.564 nan 8.290 nan 0.000 0.522 164 G N -1.572 107.369 108.800 0.235 0.000 2.572 164 G HA2 0.368 4.327 3.960 -0.001 0.000 0.261 164 G HA3 0.368 4.327 3.960 -0.001 0.000 0.261 164 G C 0.976 176.059 174.900 0.304 0.000 1.197 164 G CA 0.183 45.433 45.100 0.251 0.000 0.870 164 G HN 0.346 nan 8.290 nan 0.000 0.548 165 W N 0.587 121.939 121.300 0.086 0.000 2.325 165 W HA -0.054 4.606 4.660 -0.001 0.000 0.299 165 W C 0.671 177.229 176.519 0.065 0.000 1.215 165 W CA 1.909 59.291 57.345 0.061 0.000 1.244 165 W CB 0.246 29.726 29.460 0.033 0.000 1.140 165 W HN 0.408 nan 8.180 nan 0.000 0.523 166 V N -2.788 117.256 119.914 0.218 0.000 3.156 166 V HA 0.496 4.616 4.120 -0.001 0.000 0.310 166 V C -0.469 175.722 176.094 0.161 0.000 1.234 166 V CA -1.300 61.076 62.300 0.127 0.000 1.065 166 V CB 1.748 33.669 31.823 0.165 0.000 1.088 166 V HN -0.056 nan 8.190 nan 0.000 0.451 167 M N 4.031 123.753 119.600 0.203 0.000 2.080 167 M HA 0.513 4.992 4.480 -0.001 0.000 0.350 167 M C -2.682 173.784 176.300 0.277 0.000 1.143 167 M CA -1.897 53.537 55.300 0.223 0.000 1.064 167 M CB 1.457 34.212 32.600 0.258 0.000 1.429 167 M HN 0.651 nan 8.290 nan 0.000 0.418 168 P HA 0.124 nan 4.420 nan 0.000 0.274 168 P C -0.979 176.340 177.300 0.032 0.000 1.231 168 P CA -0.187 62.973 63.100 0.099 0.000 0.790 168 P CB 0.598 32.343 31.700 0.075 0.000 0.951 169 D N 0.843 121.226 120.400 -0.028 0.000 2.449 169 D HA -0.075 4.564 4.640 -0.001 0.000 0.236 169 D C 0.691 177.013 176.300 0.036 0.000 1.149 169 D CA 0.677 54.644 54.000 -0.055 0.000 0.878 169 D CB 0.449 41.228 40.800 -0.034 0.000 1.198 169 D HN 0.317 nan 8.370 nan 0.000 0.446 170 E N 1.376 121.643 120.200 0.111 0.000 2.526 170 E HA 0.191 4.540 4.350 -0.001 0.000 0.208 170 E C 0.857 177.638 176.600 0.302 0.000 0.997 170 E CA 0.024 56.551 56.400 0.213 0.000 0.961 170 E CB 0.694 30.541 29.700 0.244 0.000 1.030 170 E HN 0.474 nan 8.360 nan 0.000 0.483 171 A N 1.458 124.407 122.820 0.215 0.000 1.901 171 A HA 0.023 4.343 4.320 -0.001 0.000 0.210 171 A C 1.809 179.279 177.584 -0.189 0.000 1.208 171 A CA 0.574 52.502 52.037 -0.182 0.000 0.644 171 A CB 0.041 18.920 19.000 -0.202 0.000 0.863 171 A HN 0.031 nan 8.150 nan 0.000 0.454 172 N N 0.034 118.714 118.700 -0.033 0.000 2.356 172 N HA 0.029 4.768 4.740 -0.001 0.000 0.178 172 N C 0.638 176.137 175.510 -0.017 0.000 1.075 172 N CA 0.477 53.501 53.050 -0.043 0.000 0.889 172 N CB 0.165 38.672 38.487 0.033 0.000 0.999 172 N HN 0.350 nan 8.380 nan 0.000 0.464 173 S N 0.827 116.529 115.700 0.003 0.000 2.562 173 S HA -0.044 4.426 4.470 -0.001 0.000 0.281 173 S C -0.111 174.501 174.600 0.021 0.000 1.333 173 S CA -0.416 57.797 58.200 0.022 0.000 1.052 173 S CB 0.415 63.632 63.200 0.028 0.000 0.884 173 S HN 0.230 nan 8.310 nan 0.000 0.506 174 H N 5.363 124.413 119.070 -0.034 0.000 2.582 174 H HA 0.090 4.646 4.556 -0.001 0.000 0.345 174 H C 1.337 176.640 175.328 -0.043 0.000 1.104 174 H CA -0.140 55.873 56.048 -0.058 0.000 1.390 174 H CB 0.509 30.185 29.762 -0.143 0.000 1.461 174 H HN 0.983 nan 8.280 nan 0.000 0.551 175 W N 5.718 126.932 121.300 -0.143 0.000 2.350 175 W HA -0.169 4.491 4.660 -0.001 0.000 0.289 175 W C 1.048 177.639 176.519 0.121 0.000 1.215 175 W CA 0.402 57.735 57.345 -0.019 0.000 1.236 175 W CB -0.480 28.910 29.460 -0.118 0.000 1.130 175 W HN 0.530 nan 8.180 nan 0.000 0.541 176 R N 0.783 120.915 120.500 -0.614 0.000 2.096 176 R HA -0.126 4.214 4.340 -0.001 0.000 0.235 176 R C 2.003 178.139 176.300 -0.274 0.000 1.127 176 R CA 1.847 57.482 56.100 -0.775 0.000 0.968 176 R CB -0.390 29.390 30.300 -0.867 0.000 0.861 176 R HN 0.150 nan 8.270 nan 0.000 0.440 177 N N -0.211 118.412 118.700 -0.127 0.000 2.376 177 N HA -0.053 4.687 4.740 -0.001 0.000 0.177 177 N C 1.717 177.232 175.510 0.008 0.000 1.024 177 N CA 0.674 53.692 53.050 -0.054 0.000 0.893 177 N CB 0.016 38.491 38.487 -0.021 0.000 0.980 177 N HN -0.004 nan 8.380 nan 0.000 0.439 178 V N 1.505 121.448 119.914 0.049 0.000 2.343 178 V HA -0.174 3.945 4.120 -0.001 0.000 0.247 178 V C 2.333 178.473 176.094 0.078 0.000 1.051 178 V CA 1.087 63.434 62.300 0.079 0.000 1.036 178 V CB -0.470 31.419 31.823 0.111 0.000 0.654 178 V HN 0.191 nan 8.190 nan 0.000 0.451 179 L N -0.329 120.949 121.223 0.092 0.000 2.093 179 L HA -0.107 4.233 4.340 -0.001 0.000 0.208 179 L C 2.165 179.047 176.870 0.021 0.000 1.085 179 L CA 1.778 56.665 54.840 0.078 0.000 0.755 179 L CB -0.643 41.497 42.059 0.135 0.000 0.904 179 L HN 0.284 nan 8.230 nan 0.000 0.435 180 L N -0.059 121.154 121.223 -0.016 0.000 2.012 180 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 180 L C 2.576 179.439 176.870 -0.013 0.000 1.073 180 L CA 2.340 57.160 54.840 -0.034 0.000 0.748 180 L CB -0.758 41.262 42.059 -0.066 0.000 0.891 180 L HN 0.678 nan 8.230 nan 0.000 0.431 181 Q N -1.027 118.789 119.800 0.026 0.000 2.172 181 Q HA -0.186 4.153 4.340 -0.001 0.000 0.200 181 Q C 2.022 178.106 176.000 0.139 0.000 0.964 181 Q CA 1.983 57.836 55.803 0.083 0.000 0.855 181 Q CB -1.143 27.682 28.738 0.146 0.000 0.918 181 Q HN 0.465 nan 8.270 nan 0.000 0.444 182 L N 0.829 122.120 121.223 0.113 0.000 2.046 182 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 182 L C 1.920 178.872 176.870 0.136 0.000 1.077 182 L CA 2.427 57.348 54.840 0.135 0.000 0.747 182 L CB -0.986 41.130 42.059 0.094 0.000 0.896 182 L HN 0.333 nan 8.230 nan 0.000 0.432 183 T N -1.024 113.578 114.554 0.081 0.000 2.821 183 T HA -0.169 4.180 4.350 -0.001 0.000 0.267 183 T C 1.715 176.467 174.700 0.087 0.000 1.046 183 T CA 1.380 63.520 62.100 0.067 0.000 1.139 183 T CB -0.136 68.743 68.868 0.018 0.000 0.871 183 T HN 0.329 nan 8.240 nan 0.000 0.454 184 E N 1.034 121.259 120.200 0.041 0.000 2.051 184 E HA -0.046 4.303 4.350 -0.001 0.000 0.192 184 E C 2.356 179.074 176.600 0.195 0.000 0.991 184 E CA 1.568 57.947 56.400 -0.035 0.000 0.799 184 E CB -0.874 28.614 29.700 -0.354 0.000 0.748 184 E HN 0.438 nan 8.360 nan 0.000 0.449 185 G N -0.099 108.916 108.800 0.360 0.000 2.402 185 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.216 185 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.216 185 G C 1.494 176.616 174.900 0.370 0.000 1.162 185 G CA 0.714 46.117 45.100 0.506 0.000 0.777 185 G HN 0.267 nan 8.290 nan 0.000 0.539 186 Q N -0.212 119.741 119.800 0.255 0.000 2.172 186 Q HA -0.052 4.288 4.340 -0.001 0.000 0.200 186 Q C 2.798 178.895 176.000 0.160 0.000 0.964 186 Q CA 1.397 57.309 55.803 0.181 0.000 0.855 186 Q CB -0.191 28.636 28.738 0.148 0.000 0.918 186 Q HN 0.411 nan 8.270 nan 0.000 0.444 187 T N 0.197 114.857 114.554 0.177 0.000 2.777 187 T HA -0.182 4.168 4.350 -0.001 0.000 0.266 187 T C 1.094 175.892 174.700 0.163 0.000 1.040 187 T CA 1.067 63.247 62.100 0.133 0.000 1.141 187 T CB -0.355 68.588 68.868 0.124 0.000 0.868 187 T HN 0.468 nan 8.240 nan 0.000 0.444 188 W N 1.599 123.000 121.300 0.169 0.000 2.355 188 W HA -0.030 4.629 4.660 -0.001 0.000 0.309 188 W C 1.792 178.433 176.519 0.203 0.000 1.206 188 W CA 0.901 58.430 57.345 0.307 0.000 1.284 188 W CB -0.457 29.246 29.460 0.404 0.000 1.145 188 W HN 0.139 nan 8.180 nan 0.000 0.502 189 L N 0.639 122.051 121.223 0.315 0.000 2.046 189 L HA -0.246 4.094 4.340 -0.001 0.000 0.208 189 L C 2.608 179.397 176.870 -0.135 0.000 1.077 189 L CA 1.903 56.754 54.840 0.017 0.000 0.747 189 L CB -0.939 41.088 42.059 -0.054 0.000 0.896 189 L HN -0.007 nan 8.230 nan 0.000 0.432 190 K N 0.028 120.373 120.400 -0.091 0.000 2.057 190 K HA -0.258 4.062 4.320 -0.001 0.000 0.206 190 K C 2.196 178.651 176.600 -0.242 0.000 1.050 190 K CA 1.558 57.769 56.287 -0.127 0.000 0.935 190 K CB -0.039 32.415 32.500 -0.077 0.000 0.715 190 K HN 0.247 nan 8.250 nan 0.000 0.439 191 Q N -0.801 118.784 119.800 -0.358 0.000 2.084 191 Q HA -0.150 4.190 4.340 -0.001 0.000 0.202 191 Q C 1.443 176.925 176.000 -0.863 0.000 0.978 191 Q CA 1.786 57.211 55.803 -0.631 0.000 0.844 191 Q CB 0.041 28.277 28.738 -0.837 0.000 0.898 191 Q HN 0.327 nan 8.270 nan 0.000 0.426 192 F N -1.496 118.071 119.950 -0.639 0.000 2.622 192 F HA 0.121 4.648 4.527 -0.001 0.000 0.288 192 F C 1.644 177.139 175.800 -0.509 0.000 1.120 192 F CA 0.222 57.797 58.000 -0.708 0.000 1.423 192 F CB 0.398 38.547 39.000 -1.419 0.000 1.127 192 F HN 0.091 nan 8.300 nan 0.000 0.588 193 M N -0.951 118.481 119.600 -0.280 0.000 2.308 193 M HA 0.230 4.709 4.480 -0.001 0.000 0.269 193 M C 0.294 176.563 176.300 -0.052 0.000 1.040 193 M CA 0.199 55.439 55.300 -0.099 0.000 1.024 193 M CB -1.091 31.482 32.600 -0.046 0.000 1.465 193 M HN 0.110 nan 8.290 nan 0.000 0.517 194 N N 1.997 120.633 118.700 -0.108 0.000 2.727 194 N HA -0.133 4.606 4.740 -0.001 0.000 0.249 194 N C -0.982 174.505 175.510 -0.038 0.000 1.048 194 N CA 0.735 53.740 53.050 -0.076 0.000 0.714 194 N CB -0.951 37.505 38.487 -0.052 0.000 0.959 194 N HN 0.384 nan 8.380 nan 0.000 0.544 195 V N -3.866 116.027 119.914 -0.034 0.000 3.049 195 V HA 0.875 4.995 4.120 -0.001 0.000 0.309 195 V C -0.011 176.068 176.094 -0.025 0.000 1.148 195 V CA -0.467 61.830 62.300 -0.006 0.000 0.990 195 V CB 2.351 34.217 31.823 0.072 0.000 1.039 195 V HN 0.058 nan 8.190 nan 0.000 0.430 196 T N 3.855 118.385 114.554 -0.041 0.000 2.930 196 T HA 0.575 4.925 4.350 -0.001 0.000 0.313 196 T C -2.755 171.862 174.700 -0.138 0.000 1.019 196 T CA -0.763 61.294 62.100 -0.072 0.000 1.004 196 T CB 1.375 70.191 68.868 -0.087 0.000 0.987 196 T HN 0.766 nan 8.240 nan 0.000 0.456 197 P HA 0.173 nan 4.420 nan 0.000 0.266 197 P C 0.853 177.763 177.300 -0.650 0.000 1.195 197 P CA -0.165 62.811 63.100 -0.206 0.000 0.768 197 P CB 0.540 32.232 31.700 -0.013 0.000 0.838 198 T N -1.755 112.472 114.554 -0.546 0.000 3.040 198 T HA 0.541 4.891 4.350 -0.001 0.000 0.266 198 T C 0.336 174.846 174.700 -0.317 0.000 1.005 198 T CA -0.278 61.383 62.100 -0.732 0.000 0.906 198 T CB 0.133 68.781 68.868 -0.367 0.000 1.082 198 T HN 0.410 nan 8.240 nan 0.000 0.531 199 A N 0.818 123.608 122.820 -0.049 0.000 2.355 199 A HA 0.801 5.121 4.320 -0.001 0.000 0.317 199 A C -0.198 177.644 177.584 0.429 0.000 1.094 199 A CA -0.700 51.459 52.037 0.205 0.000 0.764 199 A CB 1.847 20.975 19.000 0.214 0.000 1.230 199 A HN 0.253 nan 8.150 nan 0.000 0.448 200 S N 2.038 117.983 115.700 0.408 0.000 2.549 200 S HA 0.687 5.156 4.470 -0.001 0.000 0.297 200 S C -1.164 173.626 174.600 0.317 0.000 1.115 200 S CA -0.433 57.952 58.200 0.308 0.000 1.059 200 S CB 0.777 63.989 63.200 0.021 0.000 1.046 200 S HN 0.805 nan 8.310 nan 0.000 0.506 201 W N 4.544 125.857 121.300 0.021 0.000 2.499 201 W HA 0.632 5.292 4.660 -0.001 0.000 0.320 201 W C -1.478 174.985 176.519 -0.092 0.000 1.010 201 W CA -0.837 56.472 57.345 -0.060 0.000 1.267 201 W CB 1.141 30.537 29.460 -0.108 0.000 1.316 201 W HN 0.778 nan 8.180 nan 0.000 0.431 202 A N 7.916 130.595 122.820 -0.236 0.000 2.893 202 A HA 0.282 4.602 4.320 -0.001 0.000 0.333 202 A C 0.315 177.647 177.584 -0.420 0.000 1.152 202 A CA -0.479 51.416 52.037 -0.237 0.000 0.782 202 A CB -0.366 18.611 19.000 -0.038 0.000 1.108 202 A HN 0.702 nan 8.150 nan 0.000 0.469 203 I N -2.715 117.411 120.570 -0.739 0.000 3.603 203 I HA 0.251 4.420 4.170 -0.001 0.000 0.297 203 I C 0.806 176.604 176.117 -0.532 0.000 1.269 203 I CA 0.834 61.655 61.300 -0.798 0.000 1.361 203 I CB 0.368 37.559 38.000 -1.349 0.000 1.063 203 I HN 0.317 nan 8.210 nan 0.000 0.448 204 D N 0.433 120.490 120.400 -0.571 0.000 2.489 204 D HA 0.247 4.886 4.640 -0.001 0.000 0.231 204 D C -2.145 173.729 176.300 -0.709 0.000 1.114 204 D CA -0.769 52.903 54.000 -0.546 0.000 0.842 204 D CB 0.039 40.440 40.800 -0.665 0.000 1.133 204 D HN 0.187 nan 8.370 nan 0.000 0.506 205 P HA 0.034 nan 4.420 nan 0.000 0.267 205 P C -0.511 176.316 177.300 -0.788 0.000 1.200 205 P CA 0.071 62.644 63.100 -0.877 0.000 0.772 205 P CB 0.187 31.560 31.700 -0.545 0.000 0.855 206 F N 2.211 121.935 119.950 -0.376 0.000 2.541 206 F HA 0.545 5.071 4.527 -0.001 0.000 0.351 206 F C 1.409 177.148 175.800 -0.101 0.000 1.209 206 F CA -0.586 57.151 58.000 -0.439 0.000 1.277 206 F CB -1.089 37.794 39.000 -0.194 0.000 1.632 206 F HN 0.491 nan 8.300 nan 0.000 0.619 207 G N 1.200 109.736 108.800 -0.440 0.000 2.587 207 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.686 207 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.686 207 G C -1.561 172.952 174.900 -0.646 0.000 1.236 207 G CA -1.186 43.751 45.100 -0.271 0.000 0.820 207 G HN 0.577 nan 8.290 nan 0.000 0.645 208 H N -0.545 118.223 119.070 -0.503 0.000 2.717 208 H HA 0.755 5.311 4.556 -0.001 0.000 0.366 208 H C -0.374 174.844 175.328 -0.183 0.000 1.132 208 H CA 0.020 55.964 56.048 -0.173 0.000 1.180 208 H CB 2.052 31.869 29.762 0.092 0.000 1.678 208 H HN 0.680 nan 8.280 nan 0.000 0.537 209 S N 2.337 118.182 115.700 0.241 0.000 2.501 209 S HA 0.265 4.735 4.470 -0.001 0.000 0.301 209 S C -1.776 172.855 174.600 0.053 0.000 1.096 209 S CA -1.797 56.554 58.200 0.252 0.000 1.063 209 S CB 1.325 64.716 63.200 0.318 0.000 1.042 209 S HN 0.443 nan 8.310 nan 0.000 0.494 210 P HA 0.015 nan 4.420 nan 0.000 0.234 210 P C 1.095 178.135 177.300 -0.435 0.000 1.167 210 P CA 0.753 63.454 63.100 -0.665 0.000 0.763 210 P CB -0.253 31.220 31.700 -0.380 0.000 0.835 211 T N -0.364 114.073 114.554 -0.194 0.000 2.833 211 T HA -0.140 4.209 4.350 -0.001 0.000 0.269 211 T C 1.737 176.389 174.700 -0.080 0.000 1.054 211 T CA 1.301 63.328 62.100 -0.121 0.000 1.135 211 T CB -0.485 68.352 68.868 -0.051 0.000 0.869 211 T HN 0.014 nan 8.240 nan 0.000 0.466 212 M N 1.871 121.385 119.600 -0.143 0.000 2.059 212 M HA 0.004 4.484 4.480 -0.001 0.000 0.259 212 M C -1.058 175.106 176.300 -0.226 0.000 1.072 212 M CA 1.341 56.555 55.300 -0.144 0.000 1.117 212 M CB -1.130 31.412 32.600 -0.098 0.000 1.320 212 M HN 0.036 nan 8.290 nan 0.000 0.408 213 P HA -0.193 nan 4.420 nan 0.000 0.220 213 P C 1.434 178.611 177.300 -0.204 0.000 1.148 213 P CA 1.382 64.290 63.100 -0.319 0.000 0.803 213 P CB -0.512 30.899 31.700 -0.480 0.000 0.782 214 Y N 1.146 121.260 120.300 -0.311 0.000 2.097 214 Y HA -0.199 4.351 4.550 -0.001 0.000 0.282 214 Y C 2.401 178.216 175.900 -0.141 0.000 1.152 214 Y CA 1.687 59.666 58.100 -0.201 0.000 1.136 214 Y CB -0.957 37.400 38.460 -0.172 0.000 0.975 214 Y HN -0.241 nan 8.280 nan 0.000 0.498 215 I N -0.419 120.172 120.570 0.036 0.000 2.286 215 I HA -0.302 3.868 4.170 -0.001 0.000 0.245 215 I C 2.280 178.323 176.117 -0.122 0.000 1.104 215 I CA 1.152 62.436 61.300 -0.027 0.000 1.397 215 I CB -0.408 37.639 38.000 0.079 0.000 1.072 215 I HN 0.262 nan 8.210 nan 0.000 0.417 216 L N 0.129 121.232 121.223 -0.200 0.000 2.046 216 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 216 L C 2.687 179.532 176.870 -0.040 0.000 1.077 216 L CA 1.230 55.885 54.840 -0.309 0.000 0.747 216 L CB -0.706 40.984 42.059 -0.615 0.000 0.896 216 L HN 0.353 nan 8.230 nan 0.000 0.432 217 Q N 1.072 120.819 119.800 -0.088 0.000 2.224 217 Q HA -0.187 4.153 4.340 -0.001 0.000 0.203 217 Q C 1.667 177.627 176.000 -0.068 0.000 0.970 217 Q CA 1.442 57.216 55.803 -0.048 0.000 0.865 217 Q CB 0.135 28.815 28.738 -0.095 0.000 0.922 217 Q HN 0.464 nan 8.270 nan 0.000 0.445 218 K N -0.461 119.857 120.400 -0.137 0.000 2.444 218 K HA 0.112 4.431 4.320 -0.001 0.000 0.193 218 K C 0.623 177.184 176.600 -0.065 0.000 1.024 218 K CA 0.118 56.317 56.287 -0.147 0.000 1.077 218 K CB 0.520 32.857 32.500 -0.272 0.000 0.833 218 K HN -0.072 nan 8.250 nan 0.000 0.517 219 S N -0.254 115.463 115.700 0.028 0.000 2.754 219 S HA 0.198 4.668 4.470 -0.001 0.000 0.247 219 S C 0.738 175.440 174.600 0.170 0.000 1.031 219 S CA 0.098 58.363 58.200 0.109 0.000 1.014 219 S CB 1.317 64.623 63.200 0.176 0.000 0.918 219 S HN 0.517 nan 8.310 nan 0.000 0.519 220 G N 1.229 110.081 108.800 0.086 0.000 2.179 220 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.260 220 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.260 220 G C -0.018 174.860 174.900 -0.037 0.000 0.977 220 G CA -0.338 44.758 45.100 -0.007 0.000 0.641 220 G HN 0.440 nan 8.290 nan 0.000 0.533 221 F N 0.450 120.359 119.950 -0.068 0.000 2.450 221 F HA 0.547 5.073 4.527 -0.001 0.000 0.339 221 F C 1.699 177.439 175.800 -0.099 0.000 1.146 221 F CA 0.355 58.310 58.000 -0.075 0.000 1.267 221 F CB 0.990 39.949 39.000 -0.068 0.000 1.178 221 F HN -0.050 nan 8.300 nan 0.000 0.585 222 K N 0.433 120.852 120.400 0.031 0.000 2.464 222 K HA 0.232 4.552 4.320 -0.001 0.000 0.206 222 K C -0.560 175.980 176.600 -0.100 0.000 1.186 222 K CA -0.018 56.228 56.287 -0.068 0.000 0.990 222 K CB 0.489 32.900 32.500 -0.148 0.000 1.003 222 K HN 0.579 nan 8.250 nan 0.000 0.562 223 N N 0.629 119.252 118.700 -0.129 0.000 2.484 223 N HA 0.428 5.168 4.740 -0.001 0.000 0.269 223 N C -1.458 173.900 175.510 -0.252 0.000 1.237 223 N CA -0.784 52.034 53.050 -0.387 0.000 0.838 223 N CB 2.014 39.701 38.487 -1.334 0.000 1.593 223 N HN -0.044 nan 8.380 nan 0.000 0.485 224 M N -0.245 119.218 119.600 -0.227 0.000 2.569 224 M HA 0.626 5.106 4.480 -0.001 0.000 0.279 224 M C -2.076 174.288 176.300 0.106 0.000 1.253 224 M CA -0.941 54.352 55.300 -0.012 0.000 0.867 224 M CB 2.455 35.040 32.600 -0.026 0.000 1.727 224 M HN 0.504 nan 8.290 nan 0.000 0.467 225 L N 3.680 124.987 121.223 0.139 0.000 2.386 225 L HA 0.877 5.217 4.340 -0.001 0.000 0.271 225 L C -1.453 175.301 176.870 -0.192 0.000 0.993 225 L CA -0.762 54.118 54.840 0.068 0.000 0.819 225 L CB 2.019 44.179 42.059 0.168 0.000 1.294 225 L HN 0.948 nan 8.230 nan 0.000 0.414 226 I N 0.947 121.311 120.570 -0.344 0.000 3.042 226 I HA 0.615 4.785 4.170 -0.001 0.000 0.310 226 I C -0.697 175.118 176.117 -0.503 0.000 1.117 226 I CA -0.564 60.338 61.300 -0.662 0.000 1.003 226 I CB 2.250 39.583 38.000 -1.113 0.000 1.228 226 I HN 0.739 nan 8.210 nan 0.000 0.443 227 Q N 2.051 121.618 119.800 -0.389 0.000 2.506 227 Q HA 0.331 4.670 4.340 -0.001 0.000 0.239 227 Q C -0.012 175.890 176.000 -0.164 0.000 0.782 227 Q CA 0.414 56.073 55.803 -0.240 0.000 0.972 227 Q CB 0.636 29.229 28.738 -0.242 0.000 1.304 227 Q HN 0.664 nan 8.270 nan 0.000 0.534 228 R N 2.018 122.442 120.500 -0.128 0.000 2.608 228 R HA 0.346 4.685 4.340 -0.001 0.000 0.277 228 R C -0.682 175.373 176.300 -0.409 0.000 1.341 228 R CA 0.539 56.302 56.100 -0.561 0.000 1.199 228 R CB 0.279 29.866 30.300 -1.188 0.000 1.156 228 R HN 0.369 nan 8.270 nan 0.000 0.558 229 T N -2.405 112.134 114.554 -0.024 0.000 2.907 229 T HA 0.136 4.485 4.350 -0.001 0.000 0.292 229 T C -0.001 174.961 174.700 0.436 0.000 1.043 229 T CA -0.896 61.317 62.100 0.187 0.000 1.003 229 T CB 1.775 70.591 68.868 -0.086 0.000 1.084 229 T HN 0.426 nan 8.240 nan 0.000 0.483 230 H N 2.006 121.293 119.070 0.361 0.000 3.115 230 H HA -0.052 4.504 4.556 -0.001 0.000 0.324 230 H C 1.061 176.446 175.328 0.095 0.000 1.007 230 H CA 0.528 56.679 56.048 0.171 0.000 1.385 230 H CB 0.338 30.224 29.762 0.208 0.000 1.351 230 H HN 0.932 nan 8.280 nan 0.000 0.592 231 Y N 2.276 122.685 120.300 0.180 0.000 2.315 231 Y HA -0.167 4.382 4.550 -0.001 0.000 0.288 231 Y C 2.169 178.243 175.900 0.291 0.000 1.154 231 Y CA 0.963 59.201 58.100 0.230 0.000 1.229 231 Y CB -0.605 37.930 38.460 0.126 0.000 0.980 231 Y HN 0.286 nan 8.280 nan 0.000 0.540 232 S N 0.260 116.001 115.700 0.069 0.000 2.406 232 S HA -0.102 4.367 4.470 -0.001 0.000 0.228 232 S C 2.079 176.591 174.600 -0.147 0.000 1.020 232 S CA 1.090 59.206 58.200 -0.140 0.000 0.965 232 S CB -0.507 62.370 63.200 -0.539 0.000 0.798 232 S HN 0.368 nan 8.310 nan 0.000 0.488 233 V N 2.011 121.896 119.914 -0.048 0.000 2.358 233 V HA -0.168 3.951 4.120 -0.001 0.000 0.246 233 V C 2.236 178.366 176.094 0.059 0.000 1.047 233 V CA 1.584 63.891 62.300 0.011 0.000 1.035 233 V CB -0.511 31.424 31.823 0.187 0.000 0.658 233 V HN 0.404 nan 8.190 nan 0.000 0.452 234 K N 0.141 120.619 120.400 0.130 0.000 2.032 234 K HA -0.266 4.054 4.320 -0.001 0.000 0.209 234 K C 2.273 179.006 176.600 0.220 0.000 1.048 234 K CA 1.933 58.315 56.287 0.158 0.000 0.927 234 K CB -0.255 32.398 32.500 0.254 0.000 0.712 234 K HN 0.353 nan 8.250 nan 0.000 0.441 235 K N 1.162 121.694 120.400 0.220 0.000 2.026 235 K HA -0.240 4.079 4.320 -0.001 0.000 0.208 235 K C 2.133 178.830 176.600 0.161 0.000 1.048 235 K CA 1.785 58.211 56.287 0.231 0.000 0.929 235 K CB 0.028 32.593 32.500 0.109 0.000 0.713 235 K HN -0.006 nan 8.250 nan 0.000 0.439 236 E N 0.825 121.039 120.200 0.023 0.000 2.031 236 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 236 E C 1.940 178.534 176.600 -0.010 0.000 0.994 236 E CA 1.470 57.843 56.400 -0.045 0.000 0.800 236 E CB -0.184 29.440 29.700 -0.127 0.000 0.752 236 E HN 0.339 nan 8.360 nan 0.000 0.447 237 L N -0.173 121.054 121.223 0.006 0.000 2.093 237 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 237 L C 2.530 179.421 176.870 0.034 0.000 1.085 237 L CA 0.951 55.788 54.840 -0.005 0.000 0.755 237 L CB -0.613 41.427 42.059 -0.032 0.000 0.904 237 L HN 0.223 nan 8.230 nan 0.000 0.435 238 A N -0.259 122.634 122.820 0.122 0.000 1.902 238 A HA -0.258 4.061 4.320 -0.001 0.000 0.217 238 A C 2.212 179.979 177.584 0.305 0.000 1.181 238 A CA 1.557 53.721 52.037 0.212 0.000 0.623 238 A CB -0.486 18.797 19.000 0.470 0.000 0.818 238 A HN 0.466 nan 8.150 nan 0.000 0.443 239 Q N -0.964 118.973 119.800 0.229 0.000 2.170 239 Q HA -0.153 4.186 4.340 -0.001 0.000 0.203 239 Q C 1.291 177.282 176.000 -0.015 0.000 0.976 239 Q CA 1.268 57.051 55.803 -0.032 0.000 0.858 239 Q CB -0.033 28.552 28.738 -0.255 0.000 0.907 239 Q HN 0.613 nan 8.270 nan 0.000 0.433 240 Q N -0.174 119.628 119.800 0.003 0.000 2.247 240 Q HA 0.140 4.479 4.340 -0.001 0.000 0.204 240 Q C -0.434 175.580 176.000 0.024 0.000 0.872 240 Q CA -0.030 55.772 55.803 -0.002 0.000 0.951 240 Q CB 0.634 29.361 28.738 -0.019 0.000 1.099 240 Q HN 0.277 nan 8.270 nan 0.000 0.501 241 R N 0.822 121.342 120.500 0.033 0.000 3.322 241 R HA -0.212 4.127 4.340 -0.001 0.000 0.253 241 R C -0.111 176.218 176.300 0.048 0.000 0.987 241 R CA 0.477 56.587 56.100 0.017 0.000 0.666 241 R CB -1.900 28.435 30.300 0.058 0.000 1.072 241 R HN 0.394 nan 8.270 nan 0.000 0.447 242 Q N 0.021 119.839 119.800 0.029 0.000 2.186 242 Q HA 0.196 4.535 4.340 -0.001 0.000 0.241 242 Q C 1.241 177.316 176.000 0.125 0.000 0.849 242 Q CA -0.238 55.617 55.803 0.086 0.000 1.053 242 Q CB 0.540 29.293 28.738 0.025 0.000 1.146 242 Q HN 0.441 nan 8.270 nan 0.000 0.475 243 L N 0.110 121.339 121.223 0.010 0.000 2.395 243 L HA 0.020 4.359 4.340 -0.001 0.000 0.218 243 L C 0.359 177.220 176.870 -0.015 0.000 1.130 243 L CA 1.000 55.818 54.840 -0.037 0.000 0.826 243 L CB 0.282 42.134 42.059 -0.344 0.000 0.941 243 L HN 0.192 nan 8.230 nan 0.000 0.451 244 E N 0.041 120.269 120.200 0.047 0.000 2.171 244 E HA 0.524 4.873 4.350 -0.001 0.000 0.271 244 E C -1.209 175.302 176.600 -0.149 0.000 0.916 244 E CA -0.541 55.682 56.400 -0.295 0.000 0.774 244 E CB 1.555 31.206 29.700 -0.080 0.000 1.128 244 E HN 0.002 nan 8.360 nan 0.000 0.403 245 F N -0.290 119.398 119.950 -0.436 0.000 2.713 245 F HA 0.465 4.991 4.527 -0.001 0.000 0.311 245 F C -1.606 174.086 175.800 -0.180 0.000 1.141 245 F CA -1.373 56.521 58.000 -0.176 0.000 0.939 245 F CB 0.765 39.693 39.000 -0.119 0.000 1.325 245 F HN 0.163 nan 8.300 nan 0.000 0.453 246 L N 2.605 123.990 121.223 0.269 0.000 2.282 246 L HA 0.180 4.520 4.340 -0.001 0.000 0.287 246 L C -1.111 175.991 176.870 0.387 0.000 1.075 246 L CA -0.239 54.754 54.840 0.256 0.000 0.839 246 L CB 0.517 42.729 42.059 0.255 0.000 1.219 246 L HN 0.589 nan 8.230 nan 0.000 0.434 247 W N 6.814 128.224 121.300 0.184 0.000 2.387 247 W HA 0.332 4.991 4.660 -0.001 0.000 0.310 247 W C 0.240 176.789 176.519 0.049 0.000 1.181 247 W CA -1.288 56.182 57.345 0.207 0.000 1.333 247 W CB 0.431 30.057 29.460 0.276 0.000 1.286 247 W HN 0.504 nan 8.180 nan 0.000 0.455 248 R N 3.776 124.452 120.500 0.293 0.000 2.758 248 R HA 0.539 4.878 4.340 -0.001 0.000 0.265 248 R C -0.051 176.155 176.300 -0.156 0.000 1.016 248 R CA -0.913 55.187 56.100 -0.001 0.000 1.040 248 R CB 1.093 31.376 30.300 -0.028 0.000 1.152 248 R HN 0.237 nan 8.270 nan 0.000 0.503 249 Q N 1.351 120.905 119.800 -0.410 0.000 2.421 249 Q HA 0.053 4.392 4.340 -0.001 0.000 0.255 249 Q C 1.465 177.066 176.000 -0.666 0.000 1.013 249 Q CA 0.112 55.469 55.803 -0.744 0.000 0.895 249 Q CB 0.749 28.578 28.738 -1.514 0.000 1.271 249 Q HN 0.854 nan 8.270 nan 0.000 0.460 250 I N -2.171 118.104 120.570 -0.492 0.000 2.567 250 I HA -0.150 4.020 4.170 -0.001 0.000 0.257 250 I C 1.310 177.362 176.117 -0.109 0.000 1.184 250 I CA 1.271 62.452 61.300 -0.199 0.000 1.451 250 I CB -0.353 37.634 38.000 -0.022 0.000 1.089 250 I HN 0.673 nan 8.210 nan 0.000 0.441 251 W N 1.253 122.617 121.300 0.106 0.000 3.278 251 W HA 0.364 5.024 4.660 -0.001 0.000 0.308 251 W C 0.251 176.848 176.519 0.130 0.000 1.253 251 W CA -0.683 56.783 57.345 0.203 0.000 1.759 251 W CB -0.712 28.954 29.460 0.345 0.000 1.093 251 W HN -0.072 nan 8.180 nan 0.000 0.648 252 D N 1.782 121.914 120.400 -0.447 0.000 2.374 252 D HA 0.004 4.643 4.640 -0.001 0.000 0.240 252 D C 0.987 177.263 176.300 -0.039 0.000 1.229 252 D CA 0.289 54.175 54.000 -0.189 0.000 0.895 252 D CB 0.193 40.785 40.800 -0.346 0.000 1.046 252 D HN 0.059 nan 8.370 nan 0.000 0.498 253 N N 3.257 121.995 118.700 0.064 0.000 2.300 253 N HA -0.110 4.630 4.740 -0.001 0.000 0.179 253 N C 1.346 176.876 175.510 0.034 0.000 1.016 253 N CA 0.495 53.573 53.050 0.046 0.000 0.876 253 N CB 0.281 38.814 38.487 0.077 0.000 0.979 253 N HN 0.451 nan 8.380 nan 0.000 0.432 254 K N 0.172 120.598 120.400 0.043 0.000 2.186 254 K HA -0.020 4.300 4.320 -0.001 0.000 0.202 254 K C 0.809 177.425 176.600 0.026 0.000 1.052 254 K CA 1.054 57.362 56.287 0.036 0.000 0.965 254 K CB 0.228 32.754 32.500 0.044 0.000 0.746 254 K HN 0.191 nan 8.250 nan 0.000 0.457 255 G N 1.056 109.864 108.800 0.013 0.000 2.148 255 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.203 255 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.203 255 G C 0.113 175.019 174.900 0.010 0.000 0.993 255 G CA 0.344 45.450 45.100 0.009 0.000 0.661 255 G HN 0.388 nan 8.290 nan 0.000 0.518 256 D N 0.673 121.081 120.400 0.012 0.000 2.348 256 D HA -0.025 4.615 4.640 -0.001 0.000 0.216 256 D C 2.506 178.799 176.300 -0.012 0.000 0.970 256 D CA 1.653 55.658 54.000 0.007 0.000 0.889 256 D CB -0.213 40.597 40.800 0.016 0.000 0.912 256 D HN 0.672 nan 8.370 nan 0.000 0.524 257 T N -2.036 112.502 114.554 -0.027 0.000 3.129 257 T HA 0.321 4.670 4.350 -0.001 0.000 0.251 257 T C 0.978 175.645 174.700 -0.056 0.000 1.117 257 T CA -0.173 61.892 62.100 -0.058 0.000 1.034 257 T CB 0.030 68.849 68.868 -0.081 0.000 0.968 257 T HN 0.064 nan 8.240 nan 0.000 0.526 258 A N 1.447 124.259 122.820 -0.015 0.000 2.540 258 A HA 0.551 4.870 4.320 -0.001 0.000 0.239 258 A C -0.269 177.339 177.584 0.040 0.000 1.061 258 A CA -0.326 51.733 52.037 0.036 0.000 0.758 258 A CB -0.125 18.921 19.000 0.077 0.000 0.991 258 A HN 0.554 nan 8.150 nan 0.000 0.502 259 L N 2.837 124.104 121.223 0.074 0.000 2.409 259 L HA 0.567 4.907 4.340 -0.001 0.000 0.272 259 L C -0.657 176.277 176.870 0.107 0.000 0.980 259 L CA -0.568 54.310 54.840 0.063 0.000 0.826 259 L CB 1.456 43.516 42.059 0.002 0.000 1.268 259 L HN 0.660 nan 8.230 nan 0.000 0.407 260 F N 3.882 123.797 119.950 -0.058 0.000 2.578 260 F HA 0.399 4.925 4.527 -0.001 0.000 0.381 260 F C 0.018 175.706 175.800 -0.186 0.000 1.069 260 F CA 0.770 58.703 58.000 -0.110 0.000 1.231 260 F CB 0.452 39.405 39.000 -0.079 0.000 1.086 260 F HN 0.568 nan 8.300 nan 0.000 0.564 261 T N 5.372 119.375 114.554 -0.918 0.000 2.861 261 T HA 0.206 4.556 4.350 -0.001 0.000 0.287 261 T C -1.611 172.456 174.700 -1.054 0.000 1.003 261 T CA -0.478 61.146 62.100 -0.794 0.000 0.977 261 T CB 0.933 69.325 68.868 -0.795 0.000 0.996 261 T HN 0.616 nan 8.240 nan 0.000 0.448 262 H N 2.768 121.525 119.070 -0.520 0.000 2.551 262 H HA 0.623 5.178 4.556 -0.001 0.000 0.321 262 H C -0.419 174.720 175.328 -0.315 0.000 1.028 262 H CA -0.748 55.110 56.048 -0.317 0.000 1.215 262 H CB 0.742 30.540 29.762 0.060 0.000 1.414 262 H HN 0.481 nan 8.280 nan 0.000 0.480 263 M N 6.933 126.201 119.600 -0.552 0.000 2.157 263 M HA 0.298 4.778 4.480 -0.001 0.000 0.354 263 M C -0.881 175.177 176.300 -0.404 0.000 1.170 263 M CA -0.628 54.426 55.300 -0.411 0.000 1.060 263 M CB 0.711 33.120 32.600 -0.317 0.000 1.615 263 M HN 0.661 nan 8.290 nan 0.000 0.460 264 M N 6.747 126.206 119.600 -0.235 0.000 2.248 264 M HA 0.174 4.654 4.480 -0.001 0.000 0.337 264 M C -1.598 174.575 176.300 -0.212 0.000 1.121 264 M CA -1.116 54.092 55.300 -0.154 0.000 1.155 264 M CB 0.269 32.796 32.600 -0.121 0.000 1.514 264 M HN 0.489 nan 8.290 nan 0.000 0.452 265 P HA 0.094 nan 4.420 nan 0.000 0.239 265 P C -0.263 176.858 177.300 -0.298 0.000 1.188 265 P CA 0.886 63.687 63.100 -0.498 0.000 0.794 265 P CB 0.362 31.465 31.700 -0.994 0.000 0.937 266 F N -1.812 118.138 119.950 -0.001 0.000 2.535 266 F HA 0.290 4.816 4.527 -0.001 0.000 0.367 266 F C 2.019 177.906 175.800 0.146 0.000 1.096 266 F CA -1.432 56.605 58.000 0.061 0.000 1.088 266 F CB -0.919 38.055 39.000 -0.044 0.000 1.387 266 F HN -0.317 nan 8.300 nan 0.000 0.494 267 Y N -0.050 120.394 120.300 0.239 0.000 2.373 267 Y HA 0.101 4.650 4.550 -0.001 0.000 0.293 267 Y C 0.969 176.784 175.900 -0.143 0.000 1.129 267 Y CA 1.243 59.344 58.100 0.002 0.000 1.226 267 Y CB 0.068 38.418 38.460 -0.184 0.000 1.000 267 Y HN 0.386 nan 8.280 nan 0.000 0.549 268 S N -2.101 113.477 115.700 -0.203 0.000 2.671 268 S HA 0.256 4.725 4.470 -0.001 0.000 0.277 268 S C -0.479 174.075 174.600 -0.077 0.000 1.165 268 S CA -0.322 57.674 58.200 -0.339 0.000 0.822 268 S CB 0.164 63.113 63.200 -0.418 0.000 1.150 268 S HN 0.236 nan 8.310 nan 0.000 0.479 269 Y N 0.701 120.968 120.300 -0.056 0.000 2.457 269 Y HA 0.356 4.905 4.550 -0.001 0.000 0.263 269 Y C 0.376 176.358 175.900 0.136 0.000 1.164 269 Y CA -0.633 57.459 58.100 -0.013 0.000 1.274 269 Y CB -0.922 37.438 38.460 -0.168 0.000 1.097 269 Y HN 0.514 nan 8.280 nan 0.000 0.523 270 D N 0.716 121.161 120.400 0.074 0.000 2.371 270 D HA -0.018 4.622 4.640 -0.001 0.000 0.242 270 D C 1.249 177.681 176.300 0.220 0.000 1.218 270 D CA -0.421 53.687 54.000 0.180 0.000 0.945 270 D CB 0.895 41.761 40.800 0.110 0.000 1.137 270 D HN 0.261 nan 8.370 nan 0.000 0.464 271 I N -0.177 120.496 120.570 0.171 0.000 2.208 271 I HA -0.169 4.001 4.170 -0.001 0.000 0.245 271 I C -0.744 175.409 176.117 0.059 0.000 1.097 271 I CA 0.919 62.303 61.300 0.140 0.000 1.363 271 I CB -1.198 36.873 38.000 0.117 0.000 1.051 271 I HN 0.344 nan 8.210 nan 0.000 0.413 272 P HA -0.145 nan 4.420 nan 0.000 0.222 272 P C 0.561 177.547 177.300 -0.523 0.000 1.147 272 P CA 1.579 64.496 63.100 -0.305 0.000 0.790 272 P CB -0.091 31.417 31.700 -0.320 0.000 0.780 273 H N -2.970 116.092 119.070 -0.013 0.000 2.486 273 H HA 0.226 4.782 4.556 -0.001 0.000 0.284 273 H C 0.863 176.282 175.328 0.150 0.000 1.103 273 H CA 0.521 56.571 56.048 0.004 0.000 1.089 273 H CB -0.223 29.605 29.762 0.111 0.000 1.603 273 H HN 0.090 nan 8.280 nan 0.000 0.557 274 T N -4.204 110.462 114.554 0.187 0.000 3.016 274 T HA -0.018 4.332 4.350 -0.001 0.000 0.271 274 T C 1.763 176.583 174.700 0.200 0.000 0.968 274 T CA 0.362 62.600 62.100 0.231 0.000 0.891 274 T CB -0.693 68.303 68.868 0.214 0.000 1.149 274 T HN 0.508 nan 8.240 nan 0.000 0.524 275 c N 1.468 120.156 118.600 0.148 0.000 2.563 275 c HA 0.721 5.290 4.570 -0.001 0.000 0.268 275 c C 1.315 175.527 174.090 0.202 0.000 1.365 275 c CA 0.388 56.847 56.329 0.216 0.000 1.754 275 c CB -1.108 41.488 42.510 0.143 0.000 1.932 275 c HN 0.868 nan 8.230 nan 0.000 0.536 276 G N -0.241 108.599 108.800 0.066 0.000 2.315 276 G HA2 0.385 4.345 3.960 -0.001 0.000 0.294 276 G HA3 0.385 4.345 3.960 -0.001 0.000 0.294 276 G C -2.702 171.815 174.900 -0.639 0.000 1.300 276 G CA 0.236 45.309 45.100 -0.045 0.000 0.843 276 G HN -0.111 nan 8.290 nan 0.000 0.527 277 P HA 0.089 nan 4.420 nan 0.000 0.229 277 P C -0.137 176.757 177.300 -0.677 0.000 1.160 277 P CA 1.070 63.512 63.100 -1.096 0.000 0.777 277 P CB 0.378 31.753 31.700 -0.543 0.000 0.814 278 D N 0.833 120.944 120.400 -0.482 0.000 2.460 278 D HA 0.142 4.781 4.640 -0.001 0.000 0.232 278 D C -1.479 174.482 176.300 -0.566 0.000 1.079 278 D CA -2.661 51.095 54.000 -0.406 0.000 0.864 278 D CB 1.376 42.023 40.800 -0.256 0.000 1.048 278 D HN -0.022 nan 8.370 nan 0.000 0.523 279 P HA -0.159 nan 4.420 nan 0.000 0.220 279 P C 1.234 177.744 177.300 -1.317 0.000 1.148 279 P CA 0.765 63.109 63.100 -1.259 0.000 0.803 279 P CB 0.500 31.131 31.700 -1.781 0.000 0.782 280 K N 0.193 119.950 120.400 -1.072 0.000 2.147 280 K HA -0.066 4.254 4.320 -0.001 0.000 0.205 280 K C 1.807 178.234 176.600 -0.289 0.000 1.049 280 K CA 1.054 57.016 56.287 -0.541 0.000 0.936 280 K CB -0.202 32.159 32.500 -0.233 0.000 0.722 280 K HN -0.057 nan 8.250 nan 0.000 0.446 281 V N 0.288 120.036 119.914 -0.276 0.000 2.379 281 V HA -0.225 3.894 4.120 -0.001 0.000 0.243 281 V C 2.376 178.449 176.094 -0.035 0.000 1.035 281 V CA 1.321 63.553 62.300 -0.114 0.000 1.035 281 V CB -0.251 31.517 31.823 -0.092 0.000 0.673 281 V HN 0.473 nan 8.190 nan 0.000 0.457 282 c N -0.687 117.813 118.600 -0.166 0.000 2.425 282 c HA -0.206 4.364 4.570 -0.001 0.000 0.277 282 c C 2.975 177.036 174.090 -0.049 0.000 1.280 282 c CA 0.809 57.099 56.329 -0.064 0.000 1.744 282 c CB -1.505 40.889 42.510 -0.194 0.000 1.989 282 c HN 0.758 nan 8.230 nan 0.000 0.491 283 c N 0.857 119.341 118.600 -0.193 0.000 2.410 283 c HA -0.153 4.416 4.570 -0.001 0.000 0.281 283 c C 2.612 176.601 174.090 -0.170 0.000 1.318 283 c CA 1.259 57.525 56.329 -0.104 0.000 1.776 283 c CB -1.487 41.039 42.510 0.027 0.000 1.942 283 c HN 0.643 nan 8.230 nan 0.000 0.508 284 Q N -1.397 118.252 119.800 -0.251 0.000 2.488 284 Q HA -0.009 4.331 4.340 -0.001 0.000 0.211 284 Q C 0.716 176.065 176.000 -1.085 0.000 0.967 284 Q CA 0.994 56.458 55.803 -0.564 0.000 0.926 284 Q CB -0.018 28.372 28.738 -0.580 0.000 0.992 284 Q HN 0.748 nan 8.270 nan 0.000 0.506 285 F N -0.180 119.485 119.950 -0.475 0.000 2.668 285 F HA 0.161 4.687 4.527 -0.001 0.000 0.301 285 F C 0.254 175.772 175.800 -0.470 0.000 1.106 285 F CA -0.531 57.093 58.000 -0.627 0.000 1.289 285 F CB 0.747 39.625 39.000 -0.203 0.000 1.006 285 F HN -0.143 nan 8.300 nan 0.000 0.535 286 D N 0.061 120.235 120.400 -0.378 0.000 2.467 286 D HA 0.126 4.766 4.640 -0.001 0.000 0.220 286 D C 0.515 176.629 176.300 -0.311 0.000 1.103 286 D CA -0.369 53.529 54.000 -0.170 0.000 0.886 286 D CB 0.149 40.901 40.800 -0.078 0.000 1.025 286 D HN 0.079 nan 8.370 nan 0.000 0.514 287 F N 1.826 121.783 119.950 0.012 0.000 2.771 287 F HA 0.075 4.601 4.527 -0.001 0.000 0.299 287 F C 2.325 178.077 175.800 -0.080 0.000 1.177 287 F CA 0.365 58.345 58.000 -0.033 0.000 1.450 287 F CB 0.045 39.047 39.000 0.004 0.000 1.114 287 F HN 0.265 nan 8.300 nan 0.000 0.587 288 K N 0.631 120.970 120.400 -0.102 0.000 2.487 288 K HA 0.063 4.383 4.320 -0.001 0.000 0.192 288 K C 1.082 177.649 176.600 -0.055 0.000 1.027 288 K CA 0.214 56.313 56.287 -0.313 0.000 1.054 288 K CB 0.127 32.299 32.500 -0.546 0.000 0.824 288 K HN 0.195 nan 8.250 nan 0.000 0.510 289 R N -0.004 120.485 120.500 -0.018 0.000 2.586 289 R HA 0.210 4.549 4.340 -0.001 0.000 0.306 289 R C 0.959 177.282 176.300 0.038 0.000 1.079 289 R CA -0.171 55.938 56.100 0.015 0.000 1.083 289 R CB 0.257 30.542 30.300 -0.025 0.000 1.306 289 R HN 0.180 nan 8.270 nan 0.000 0.567 290 M N -1.047 118.609 119.600 0.094 0.000 2.541 290 M HA 0.153 4.633 4.480 -0.001 0.000 0.252 290 M C 1.191 177.528 176.300 0.063 0.000 1.125 290 M CA 0.936 56.276 55.300 0.067 0.000 1.091 290 M CB 0.807 33.459 32.600 0.088 0.000 1.420 290 M HN 0.494 nan 8.290 nan 0.000 0.486 291 G N -0.148 108.708 108.800 0.093 0.000 3.465 291 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.196 291 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.196 291 G C 0.988 175.901 174.900 0.021 0.000 1.170 291 G CA 0.229 45.357 45.100 0.047 0.000 0.887 291 G HN 0.393 nan 8.290 nan 0.000 0.444 292 S N 0.345 116.021 115.700 -0.039 0.000 2.469 292 S HA 0.150 4.620 4.470 -0.001 0.000 0.238 292 S C 1.751 176.178 174.600 -0.290 0.000 0.998 292 S CA 1.638 59.718 58.200 -0.199 0.000 0.957 292 S CB -0.441 62.563 63.200 -0.326 0.000 0.764 292 S HN 0.372 nan 8.310 nan 0.000 0.514 293 F N 1.745 121.691 119.950 -0.008 0.000 2.727 293 F HA 0.433 4.960 4.527 -0.001 0.000 0.302 293 F C 1.916 177.711 175.800 -0.008 0.000 1.097 293 F CA -0.042 57.952 58.000 -0.010 0.000 1.330 293 F CB -0.102 38.888 39.000 -0.016 0.000 1.084 293 F HN 0.368 nan 8.300 nan 0.000 0.578 294 G N 0.987 109.860 108.800 0.121 0.000 2.143 294 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.248 294 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.248 294 G C -0.077 174.870 174.900 0.079 0.000 0.991 294 G CA 0.030 45.175 45.100 0.076 0.000 0.689 294 G HN 0.295 nan 8.290 nan 0.000 0.522 295 L N 0.315 121.598 121.223 0.100 0.000 2.341 295 L HA 0.860 5.200 4.340 -0.001 0.000 0.267 295 L C 0.532 177.431 176.870 0.049 0.000 1.009 295 L CA -0.375 54.506 54.840 0.068 0.000 0.819 295 L CB 2.300 44.396 42.059 0.061 0.000 1.323 295 L HN 0.444 nan 8.230 nan 0.000 0.425 296 S N -0.670 115.047 115.700 0.027 0.000 2.705 296 S HA 0.544 5.013 4.470 -0.001 0.000 0.280 296 S C -1.222 173.388 174.600 0.016 0.000 1.174 296 S CA -0.803 57.405 58.200 0.014 0.000 0.823 296 S CB 1.638 64.837 63.200 -0.002 0.000 1.162 296 S HN 0.525 nan 8.310 nan 0.000 0.487 297 c N 2.473 121.086 118.600 0.022 0.000 2.273 297 c HA 0.549 5.119 4.570 -0.001 0.000 0.328 297 c C -1.300 172.771 174.090 -0.033 0.000 1.275 297 c CA -1.013 55.365 56.329 0.081 0.000 1.704 297 c CB 0.686 43.282 42.510 0.144 0.000 2.326 297 c HN 0.766 nan 8.230 nan 0.000 0.517 298 P HA -0.085 nan 4.420 nan 0.000 0.222 298 P C 1.185 178.151 177.300 -0.556 0.000 1.147 298 P CA 1.281 64.047 63.100 -0.557 0.000 0.790 298 P CB 0.072 31.152 31.700 -1.034 0.000 0.780 299 W N -0.457 120.819 121.300 -0.039 0.000 3.180 299 W HA 0.186 4.846 4.660 -0.001 0.000 0.254 299 W C 0.552 177.044 176.519 -0.045 0.000 1.318 299 W CA 0.260 57.578 57.345 -0.045 0.000 1.608 299 W CB -0.488 28.936 29.460 -0.060 0.000 1.124 299 W HN 0.093 nan 8.180 nan 0.000 0.694 300 K N -0.938 119.508 120.400 0.076 0.000 3.446 300 K HA -0.175 4.144 4.320 -0.001 0.000 0.312 300 K C -0.415 176.207 176.600 0.036 0.000 1.329 300 K CA 0.470 56.776 56.287 0.032 0.000 0.935 300 K CB -1.934 30.572 32.500 0.011 0.000 1.281 300 K HN -0.119 nan 8.250 nan 0.000 0.457 301 V N 1.732 121.679 119.914 0.055 0.000 2.407 301 V HA 0.351 4.470 4.120 -0.001 0.000 0.291 301 V C -1.828 174.253 176.094 -0.022 0.000 1.018 301 V CA -1.493 60.811 62.300 0.007 0.000 0.842 301 V CB 1.546 33.367 31.823 -0.003 0.000 0.996 301 V HN -0.024 nan 8.190 nan 0.000 0.426 302 P HA 0.487 nan 4.420 nan 0.000 0.281 302 P C -2.904 174.304 177.300 -0.153 0.000 1.264 302 P CA -2.203 60.852 63.100 -0.075 0.000 0.824 302 P CB 0.801 32.472 31.700 -0.047 0.000 1.092 303 P HA 0.336 nan 4.420 nan 0.000 0.274 303 P C -0.379 176.814 177.300 -0.178 0.000 1.237 303 P CA -0.065 62.820 63.100 -0.359 0.000 0.793 303 P CB 0.639 32.054 31.700 -0.476 0.000 0.977 304 R N 0.050 120.459 120.500 -0.153 0.000 2.621 304 R HA 0.423 4.763 4.340 -0.001 0.000 0.292 304 R C -0.385 175.974 176.300 0.099 0.000 0.969 304 R CA -0.659 55.426 56.100 -0.025 0.000 0.887 304 R CB 1.358 31.622 30.300 -0.059 0.000 1.180 304 R HN 0.353 nan 8.270 nan 0.000 0.450 305 T N 3.816 118.422 114.554 0.087 0.000 2.933 305 T HA 0.031 4.380 4.350 -0.001 0.000 0.306 305 T C 0.732 175.424 174.700 -0.013 0.000 1.045 305 T CA 0.164 62.290 62.100 0.044 0.000 1.143 305 T CB 0.144 69.017 68.868 0.008 0.000 1.003 305 T HN 0.191 nan 8.240 nan 0.000 0.540 306 I N 3.948 124.461 120.570 -0.095 0.000 2.496 306 I HA 0.250 4.420 4.170 -0.001 0.000 0.285 306 I C 0.991 177.058 176.117 -0.084 0.000 1.080 306 I CA 0.063 61.306 61.300 -0.096 0.000 1.404 306 I CB 0.274 38.173 38.000 -0.169 0.000 1.403 306 I HN 0.772 nan 8.210 nan 0.000 0.539 307 S N 3.898 119.560 115.700 -0.062 0.000 2.697 307 S HA 0.442 4.912 4.470 -0.001 0.000 0.289 307 S C 0.330 174.899 174.600 -0.052 0.000 1.149 307 S CA -0.767 57.404 58.200 -0.048 0.000 0.850 307 S CB 2.181 65.360 63.200 -0.035 0.000 1.151 307 S HN 0.507 nan 8.310 nan 0.000 0.491 308 D N 0.623 121.002 120.400 -0.035 0.000 2.263 308 D HA -0.042 4.598 4.640 -0.001 0.000 0.208 308 D C 1.443 177.718 176.300 -0.041 0.000 0.971 308 D CA 1.292 55.273 54.000 -0.033 0.000 0.867 308 D CB -0.187 40.608 40.800 -0.009 0.000 0.929 308 D HN 0.523 nan 8.370 nan 0.000 0.492 309 Q N 0.188 119.967 119.800 -0.035 0.000 2.389 309 Q HA -0.011 4.328 4.340 -0.001 0.000 0.204 309 Q C 1.170 177.146 176.000 -0.040 0.000 0.944 309 Q CA 0.706 56.491 55.803 -0.031 0.000 0.908 309 Q CB -0.056 28.669 28.738 -0.021 0.000 1.002 309 Q HN 0.361 nan 8.270 nan 0.000 0.493 310 N N -1.777 116.891 118.700 -0.053 0.000 2.171 310 N HA -0.007 4.733 4.740 -0.001 0.000 0.212 310 N C 0.993 176.454 175.510 -0.081 0.000 1.184 310 N CA 0.090 53.109 53.050 -0.052 0.000 0.888 310 N CB -0.215 38.249 38.487 -0.039 0.000 1.038 310 N HN 0.039 nan 8.380 nan 0.000 0.517 311 V N 0.343 120.174 119.914 -0.138 0.000 2.490 311 V HA -0.014 4.105 4.120 -0.001 0.000 0.250 311 V C 2.172 178.061 176.094 -0.341 0.000 1.061 311 V CA 1.956 64.123 62.300 -0.222 0.000 1.064 311 V CB -0.780 30.885 31.823 -0.264 0.000 0.670 311 V HN 0.440 nan 8.190 nan 0.000 0.461 312 A N -0.227 122.383 122.820 -0.349 0.000 1.898 312 A HA 0.035 4.354 4.320 -0.001 0.000 0.216 312 A C 2.416 180.036 177.584 0.060 0.000 1.181 312 A CA 1.885 53.833 52.037 -0.149 0.000 0.620 312 A CB -0.919 18.088 19.000 0.012 0.000 0.819 312 A HN 0.763 nan 8.150 nan 0.000 0.442 313 A N -0.358 122.476 122.820 0.023 0.000 1.898 313 A HA -0.123 4.197 4.320 -0.001 0.000 0.216 313 A C 2.238 179.863 177.584 0.068 0.000 1.181 313 A CA 1.343 53.412 52.037 0.053 0.000 0.620 313 A CB -0.431 18.584 19.000 0.024 0.000 0.819 313 A HN 0.396 nan 8.150 nan 0.000 0.442 314 R N 0.149 120.683 120.500 0.056 0.000 2.073 314 R HA -0.061 4.278 4.340 -0.001 0.000 0.234 314 R C 2.425 178.777 176.300 0.087 0.000 1.134 314 R CA 1.608 57.799 56.100 0.151 0.000 0.952 314 R CB -1.083 29.303 30.300 0.143 0.000 0.850 314 R HN 0.534 nan 8.270 nan 0.000 0.433 315 S N 1.392 117.096 115.700 0.006 0.000 2.368 315 S HA -0.121 4.348 4.470 -0.001 0.000 0.225 315 S C 1.361 175.859 174.600 -0.171 0.000 1.030 315 S CA 1.342 59.459 58.200 -0.139 0.000 0.999 315 S CB -0.227 63.041 63.200 0.114 0.000 0.844 315 S HN 0.268 nan 8.310 nan 0.000 0.459 316 D N 1.593 122.084 120.400 0.152 0.000 2.116 316 D HA -0.088 4.552 4.640 -0.001 0.000 0.193 316 D C 1.895 178.202 176.300 0.011 0.000 0.998 316 D CA 0.911 55.050 54.000 0.232 0.000 0.836 316 D CB -0.433 40.501 40.800 0.223 0.000 0.951 316 D HN 0.296 nan 8.370 nan 0.000 0.449 317 L N -0.058 121.146 121.223 -0.030 0.000 2.046 317 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 317 L C 2.390 179.071 176.870 -0.315 0.000 1.077 317 L CA 0.504 55.297 54.840 -0.078 0.000 0.747 317 L CB -0.208 41.880 42.059 0.049 0.000 0.896 317 L HN 0.074 nan 8.230 nan 0.000 0.432 318 L N -1.035 119.821 121.223 -0.612 0.000 2.072 318 L HA -0.094 4.246 4.340 -0.001 0.000 0.205 318 L C 2.290 178.455 176.870 -1.173 0.000 1.079 318 L CA 1.489 55.634 54.840 -1.158 0.000 0.752 318 L CB -0.265 40.804 42.059 -1.650 0.000 0.906 318 L HN -0.095 nan 8.230 nan 0.000 0.436 319 V N 0.067 119.409 119.914 -0.953 0.000 2.407 319 V HA -0.293 3.827 4.120 -0.001 0.000 0.248 319 V C 2.293 178.196 176.094 -0.319 0.000 1.055 319 V CA 1.884 63.760 62.300 -0.706 0.000 1.049 319 V CB -0.776 30.550 31.823 -0.828 0.000 0.662 319 V HN 0.594 nan 8.190 nan 0.000 0.455 320 D N -0.675 119.612 120.400 -0.189 0.000 2.104 320 D HA -0.214 4.425 4.640 -0.001 0.000 0.194 320 D C 2.230 178.504 176.300 -0.045 0.000 0.994 320 D CA 1.249 55.256 54.000 0.011 0.000 0.830 320 D CB -0.017 40.847 40.800 0.107 0.000 0.959 320 D HN 0.288 nan 8.370 nan 0.000 0.452 321 Q N -0.484 119.219 119.800 -0.161 0.000 2.084 321 Q HA -0.144 4.195 4.340 -0.001 0.000 0.202 321 Q C 2.166 178.184 176.000 0.030 0.000 0.978 321 Q CA 1.007 56.745 55.803 -0.109 0.000 0.844 321 Q CB -0.601 28.009 28.738 -0.214 0.000 0.898 321 Q HN 0.564 nan 8.270 nan 0.000 0.426 322 W N 1.424 122.613 121.300 -0.185 0.000 2.358 322 W HA -0.098 4.561 4.660 -0.001 0.000 0.303 322 W C 2.075 178.474 176.519 -0.201 0.000 1.208 322 W CA 0.735 57.969 57.345 -0.184 0.000 1.274 322 W CB -0.666 28.652 29.460 -0.237 0.000 1.138 322 W HN 0.217 nan 8.180 nan 0.000 0.515 323 K N 0.168 120.526 120.400 -0.071 0.000 2.148 323 K HA -0.129 4.190 4.320 -0.001 0.000 0.204 323 K C 1.946 178.407 176.600 -0.232 0.000 1.050 323 K CA 1.155 57.252 56.287 -0.317 0.000 0.942 323 K CB -0.186 31.821 32.500 -0.821 0.000 0.724 323 K HN 0.070 nan 8.250 nan 0.000 0.446 324 K N 0.987 121.340 120.400 -0.077 0.000 2.025 324 K HA -0.147 4.172 4.320 -0.001 0.000 0.207 324 K C 2.097 178.772 176.600 0.124 0.000 1.049 324 K CA 1.208 57.573 56.287 0.129 0.000 0.933 324 K CB -0.006 32.584 32.500 0.149 0.000 0.714 324 K HN 0.005 nan 8.250 nan 0.000 0.438 325 K N 0.774 121.249 120.400 0.126 0.000 2.097 325 K HA -0.129 4.191 4.320 -0.001 0.000 0.206 325 K C 2.012 178.726 176.600 0.190 0.000 1.049 325 K CA 1.267 57.650 56.287 0.160 0.000 0.933 325 K CB -0.085 32.523 32.500 0.180 0.000 0.717 325 K HN 0.144 nan 8.250 nan 0.000 0.442 326 A N 1.157 124.073 122.820 0.160 0.000 2.070 326 A HA -0.128 4.192 4.320 -0.001 0.000 0.220 326 A C 1.679 179.427 177.584 0.273 0.000 1.159 326 A CA 1.247 53.415 52.037 0.219 0.000 0.656 326 A CB -0.292 18.797 19.000 0.148 0.000 0.800 326 A HN 0.304 nan 8.150 nan 0.000 0.453 327 E N 0.030 120.370 120.200 0.233 0.000 2.333 327 E HA -0.088 4.261 4.350 -0.001 0.000 0.198 327 E C 1.533 178.258 176.600 0.207 0.000 1.007 327 E CA 0.638 57.186 56.400 0.245 0.000 0.845 327 E CB -0.219 29.652 29.700 0.286 0.000 0.766 327 E HN 0.718 nan 8.360 nan 0.000 0.507 328 L N -0.513 120.788 121.223 0.130 0.000 2.591 328 L HA 0.053 4.392 4.340 -0.001 0.000 0.228 328 L C 0.196 176.855 176.870 -0.353 0.000 1.133 328 L CA 0.235 55.021 54.840 -0.090 0.000 0.880 328 L CB -0.082 41.805 42.059 -0.286 0.000 1.033 328 L HN -0.006 nan 8.230 nan 0.000 0.450 329 Y N -1.634 118.747 120.300 0.135 0.000 2.633 329 Y HA 0.377 4.926 4.550 -0.001 0.000 0.339 329 Y C 1.120 177.132 175.900 0.188 0.000 1.045 329 Y CA -0.986 57.213 58.100 0.165 0.000 1.098 329 Y CB 1.210 39.777 38.460 0.178 0.000 1.296 329 Y HN -0.280 nan 8.280 nan 0.000 0.494 330 R N -0.560 120.174 120.500 0.390 0.000 2.254 330 R HA 0.086 4.425 4.340 -0.001 0.000 0.195 330 R C 0.370 176.801 176.300 0.219 0.000 0.957 330 R CA 0.784 57.029 56.100 0.242 0.000 1.024 330 R CB 0.241 30.624 30.300 0.137 0.000 0.952 330 R HN 0.750 nan 8.270 nan 0.000 0.484 331 T N -0.827 113.898 114.554 0.284 0.000 2.922 331 T HA 0.102 4.452 4.350 -0.001 0.000 0.281 331 T C 0.649 175.479 174.700 0.218 0.000 1.005 331 T CA -0.930 61.300 62.100 0.218 0.000 0.982 331 T CB 1.207 70.188 68.868 0.188 0.000 1.158 331 T HN 0.081 nan 8.240 nan 0.000 0.566 332 N N 0.032 118.830 118.700 0.163 0.000 2.295 332 N HA 0.132 4.871 4.740 -0.001 0.000 0.221 332 N C -0.697 174.810 175.510 -0.006 0.000 1.129 332 N CA -0.358 52.749 53.050 0.096 0.000 0.836 332 N CB -0.121 38.312 38.487 -0.089 0.000 1.040 332 N HN 0.373 nan 8.380 nan 0.000 0.494 333 V N 1.350 121.289 119.914 0.041 0.000 2.409 333 V HA 0.416 4.535 4.120 -0.001 0.000 0.291 333 V C -0.604 175.575 176.094 0.142 0.000 1.020 333 V CA -0.970 61.356 62.300 0.044 0.000 0.848 333 V CB 1.529 33.359 31.823 0.012 0.000 0.990 333 V HN 0.181 nan 8.190 nan 0.000 0.430 334 L N 5.784 127.026 121.223 0.032 0.000 2.341 334 L HA 0.688 5.028 4.340 -0.001 0.000 0.278 334 L C -0.855 175.872 176.870 -0.238 0.000 1.005 334 L CA -0.469 54.304 54.840 -0.111 0.000 0.818 334 L CB 1.664 43.561 42.059 -0.270 0.000 1.259 334 L HN 0.631 nan 8.230 nan 0.000 0.418 335 L N 6.367 127.238 121.223 -0.588 0.000 2.264 335 L HA 0.556 4.895 4.340 -0.001 0.000 0.289 335 L C -1.007 175.568 176.870 -0.491 0.000 1.044 335 L CA 0.145 54.483 54.840 -0.836 0.000 0.807 335 L CB 0.772 41.836 42.059 -1.660 0.000 1.192 335 L HN 0.445 nan 8.230 nan 0.000 0.425 336 I N 7.387 127.752 120.570 -0.341 0.000 2.502 336 I HA 0.333 4.502 4.170 -0.001 0.000 0.276 336 I C -2.288 173.805 176.117 -0.041 0.000 1.057 336 I CA -1.979 59.212 61.300 -0.182 0.000 1.163 336 I CB 0.987 38.850 38.000 -0.228 0.000 1.288 336 I HN 0.424 nan 8.210 nan 0.000 0.479 337 P HA 0.141 nan 4.420 nan 0.000 0.269 337 P C -0.432 177.042 177.300 0.289 0.000 1.209 337 P CA -0.211 63.013 63.100 0.207 0.000 0.776 337 P CB 0.841 32.696 31.700 0.258 0.000 0.876 338 L N 2.908 124.346 121.223 0.359 0.000 2.454 338 L HA 0.756 5.095 4.340 -0.001 0.000 0.258 338 L C -0.105 176.842 176.870 0.127 0.000 1.025 338 L CA 0.395 55.367 54.840 0.220 0.000 0.901 338 L CB 0.469 42.587 42.059 0.098 0.000 1.210 338 L HN 0.616 nan 8.230 nan 0.000 0.457 339 G N 1.687 110.446 108.800 -0.068 0.000 2.342 339 G HA2 0.472 4.432 3.960 -0.001 0.000 0.297 339 G HA3 0.472 4.432 3.960 -0.001 0.000 0.297 339 G C -2.220 172.554 174.900 -0.210 0.000 1.313 339 G CA -0.234 44.569 45.100 -0.495 0.000 0.830 339 G HN 0.390 nan 8.290 nan 0.000 0.506 340 D N -1.724 118.613 120.400 -0.105 0.000 2.865 340 D HA 0.313 4.953 4.640 -0.001 0.000 0.343 340 D C -1.530 174.897 176.300 0.211 0.000 1.372 340 D CA -0.445 53.671 54.000 0.193 0.000 0.862 340 D CB 1.463 42.326 40.800 0.105 0.000 1.425 340 D HN 0.212 nan 8.370 nan 0.000 0.501 341 D N 0.388 120.965 120.400 0.294 0.000 2.417 341 D HA 0.231 4.870 4.640 -0.001 0.000 0.250 341 D C 0.157 176.618 176.300 0.269 0.000 1.166 341 D CA 0.438 54.609 54.000 0.285 0.000 0.881 341 D CB -0.262 40.795 40.800 0.429 0.000 1.164 341 D HN 0.333 nan 8.370 nan 0.000 0.467 342 F N 0.342 120.359 119.950 0.112 0.000 3.048 342 F HA -0.305 4.222 4.527 -0.001 0.000 0.269 342 F C 1.099 176.938 175.800 0.066 0.000 0.960 342 F CA 0.604 58.645 58.000 0.068 0.000 0.909 342 F CB -0.924 38.103 39.000 0.045 0.000 0.837 342 F HN 0.227 nan 8.300 nan 0.000 0.768 343 R N -0.537 120.049 120.500 0.144 0.000 2.580 343 R HA 0.503 4.842 4.340 -0.001 0.000 0.267 343 R C 0.723 177.059 176.300 0.059 0.000 1.125 343 R CA -0.765 55.307 56.100 -0.048 0.000 1.188 343 R CB -0.079 30.073 30.300 -0.246 0.000 1.155 343 R HN 0.181 nan 8.270 nan 0.000 0.586 344 F N -0.737 119.070 119.950 -0.238 0.000 3.071 344 F HA -0.263 4.264 4.527 -0.001 0.000 0.295 344 F C 1.359 177.160 175.800 0.000 0.000 0.919 344 F CA 0.994 58.693 58.000 -0.501 0.000 1.050 344 F CB -1.119 37.325 39.000 -0.928 0.000 1.040 344 F HN 0.598 nan 8.300 nan 0.000 0.692 345 K N -0.188 120.289 120.400 0.129 0.000 2.128 345 K HA 0.060 4.379 4.320 -0.001 0.000 0.202 345 K C 0.660 177.408 176.600 0.247 0.000 1.050 345 K CA 0.977 57.401 56.287 0.228 0.000 0.966 345 K CB 0.275 32.876 32.500 0.168 0.000 0.759 345 K HN 0.473 nan 8.250 nan 0.000 0.454 346 Q N 0.279 120.202 119.800 0.205 0.000 2.266 346 Q HA 0.223 4.562 4.340 -0.001 0.000 0.261 346 Q C 0.212 176.406 176.000 0.324 0.000 0.985 346 Q CA -0.673 55.269 55.803 0.232 0.000 0.873 346 Q CB 1.636 30.517 28.738 0.239 0.000 1.306 346 Q HN 0.107 nan 8.270 nan 0.000 0.447 347 N N 0.434 119.294 118.700 0.267 0.000 2.149 347 N HA -0.168 4.571 4.740 -0.001 0.000 0.188 347 N C 1.573 177.249 175.510 0.276 0.000 1.019 347 N CA 2.115 55.327 53.050 0.269 0.000 0.857 347 N CB -0.239 38.352 38.487 0.173 0.000 0.997 347 N HN 0.755 nan 8.380 nan 0.000 0.426 348 T N -1.027 113.681 114.554 0.256 0.000 2.833 348 T HA -0.125 4.224 4.350 -0.001 0.000 0.269 348 T C 1.717 176.612 174.700 0.325 0.000 1.054 348 T CA 1.162 63.432 62.100 0.283 0.000 1.135 348 T CB -0.130 68.897 68.868 0.265 0.000 0.869 348 T HN 0.340 nan 8.240 nan 0.000 0.466 349 E N -0.179 120.161 120.200 0.233 0.000 2.072 349 E HA -0.110 4.240 4.350 -0.001 0.000 0.190 349 E C 1.831 178.343 176.600 -0.147 0.000 0.982 349 E CA 0.813 57.117 56.400 -0.160 0.000 0.803 349 E CB -0.260 29.177 29.700 -0.438 0.000 0.755 349 E HN 0.698 nan 8.360 nan 0.000 0.453 350 W N 1.802 123.038 121.300 -0.106 0.000 2.335 350 W HA -0.199 4.461 4.660 -0.001 0.000 0.311 350 W C 2.136 178.522 176.519 -0.223 0.000 1.213 350 W CA 1.365 58.551 57.345 -0.266 0.000 1.274 350 W CB -0.342 28.613 29.460 -0.842 0.000 1.148 350 W HN 0.190 nan 8.180 nan 0.000 0.498 351 D N -0.581 119.919 120.400 0.166 0.000 2.097 351 D HA -0.169 4.470 4.640 -0.001 0.000 0.195 351 D C 2.293 178.688 176.300 0.158 0.000 0.989 351 D CA 1.459 55.602 54.000 0.239 0.000 0.827 351 D CB -0.992 39.951 40.800 0.239 0.000 0.966 351 D HN 0.025 nan 8.370 nan 0.000 0.456 352 V N 0.932 120.924 119.914 0.130 0.000 2.427 352 V HA -0.208 3.911 4.120 -0.001 0.000 0.248 352 V C 2.232 178.366 176.094 0.066 0.000 1.051 352 V CA 1.562 63.920 62.300 0.097 0.000 1.048 352 V CB -0.069 31.859 31.823 0.176 0.000 0.666 352 V HN 0.151 nan 8.190 nan 0.000 0.456 353 Q N -0.346 119.526 119.800 0.121 0.000 2.049 353 Q HA -0.179 4.161 4.340 -0.001 0.000 0.198 353 Q C 2.344 178.539 176.000 0.324 0.000 0.971 353 Q CA 1.832 57.802 55.803 0.277 0.000 0.833 353 Q CB -0.471 28.407 28.738 0.234 0.000 0.896 353 Q HN 0.613 nan 8.270 nan 0.000 0.434 354 R N 0.497 121.153 120.500 0.259 0.000 2.073 354 R HA -0.097 4.242 4.340 -0.001 0.000 0.234 354 R C 2.219 178.688 176.300 0.281 0.000 1.134 354 R CA 1.305 57.609 56.100 0.340 0.000 0.952 354 R CB -0.050 30.452 30.300 0.336 0.000 0.850 354 R HN 0.056 nan 8.270 nan 0.000 0.433 355 V N 1.954 121.954 119.914 0.143 0.000 2.358 355 V HA -0.221 3.898 4.120 -0.001 0.000 0.246 355 V C 1.988 178.019 176.094 -0.105 0.000 1.047 355 V CA 1.811 64.139 62.300 0.046 0.000 1.035 355 V CB -0.593 31.247 31.823 0.028 0.000 0.658 355 V HN 0.436 nan 8.190 nan 0.000 0.452 356 N N -0.713 117.808 118.700 -0.298 0.000 2.142 356 N HA -0.159 4.581 4.740 -0.001 0.000 0.186 356 N C 1.851 177.025 175.510 -0.560 0.000 1.023 356 N CA 1.570 54.223 53.050 -0.662 0.000 0.852 356 N CB -0.279 37.207 38.487 -1.667 0.000 0.998 356 N HN 0.516 nan 8.380 nan 0.000 0.424 357 Y N 1.932 122.033 120.300 -0.332 0.000 2.242 357 Y HA -0.067 4.482 4.550 -0.001 0.000 0.291 357 Y C 2.361 177.755 175.900 -0.843 0.000 1.137 357 Y CA 1.010 58.793 58.100 -0.529 0.000 1.181 357 Y CB -0.121 38.129 38.460 -0.350 0.000 0.989 357 Y HN 0.117 nan 8.280 nan 0.000 0.527 358 E N -0.236 119.819 120.200 -0.242 0.000 2.118 358 E HA -0.236 4.113 4.350 -0.001 0.000 0.195 358 E C 2.210 178.759 176.600 -0.085 0.000 0.992 358 E CA 1.122 57.461 56.400 -0.102 0.000 0.804 358 E CB -0.129 29.638 29.700 0.111 0.000 0.741 358 E HN 0.457 nan 8.360 nan 0.000 0.458 359 R N 0.260 120.687 120.500 -0.121 0.000 2.092 359 R HA -0.082 4.258 4.340 -0.001 0.000 0.231 359 R C 2.454 178.727 176.300 -0.044 0.000 1.119 359 R CA 0.826 56.887 56.100 -0.065 0.000 0.970 359 R CB -0.243 29.997 30.300 -0.100 0.000 0.864 359 R HN 0.164 nan 8.270 nan 0.000 0.440 360 L N -0.327 120.803 121.223 -0.155 0.000 2.017 360 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 360 L C 2.125 179.056 176.870 0.102 0.000 1.073 360 L CA 1.177 55.970 54.840 -0.079 0.000 0.745 360 L CB -0.410 41.519 42.059 -0.217 0.000 0.894 360 L HN 0.074 nan 8.230 nan 0.000 0.432 361 F N 0.218 120.187 119.950 0.033 0.000 2.134 361 F HA -0.212 4.315 4.527 -0.001 0.000 0.299 361 F C 2.639 178.449 175.800 0.017 0.000 1.097 361 F CA 1.305 59.311 58.000 0.010 0.000 1.264 361 F CB -1.005 37.959 39.000 -0.061 0.000 1.001 361 F HN 0.198 nan 8.300 nan 0.000 0.479 362 E N -0.717 119.616 120.200 0.221 0.000 2.077 362 E HA -0.294 4.056 4.350 -0.001 0.000 0.193 362 E C 2.204 178.891 176.600 0.143 0.000 0.989 362 E CA 1.512 58.001 56.400 0.147 0.000 0.800 362 E CB -0.225 29.545 29.700 0.116 0.000 0.746 362 E HN 0.514 nan 8.360 nan 0.000 0.452 363 H N 0.230 119.350 119.070 0.083 0.000 2.299 363 H HA -0.045 4.510 4.556 -0.001 0.000 0.302 363 H C 2.046 177.456 175.328 0.137 0.000 1.078 363 H CA 2.167 58.274 56.048 0.098 0.000 1.323 363 H CB -0.205 29.612 29.762 0.092 0.000 1.381 363 H HN 0.145 nan 8.280 nan 0.000 0.498 364 I N 0.494 121.131 120.570 0.112 0.000 2.208 364 I HA -0.294 3.875 4.170 -0.001 0.000 0.245 364 I C 1.609 177.746 176.117 0.034 0.000 1.097 364 I CA 1.394 62.728 61.300 0.057 0.000 1.363 364 I CB -0.299 37.690 38.000 -0.019 0.000 1.051 364 I HN 0.368 nan 8.210 nan 0.000 0.413 365 N N 0.243 118.958 118.700 0.025 0.000 2.459 365 N HA -0.099 4.640 4.740 -0.001 0.000 0.181 365 N C 1.786 177.277 175.510 -0.033 0.000 1.046 365 N CA 1.392 54.432 53.050 -0.018 0.000 0.904 365 N CB -0.208 38.263 38.487 -0.027 0.000 0.964 365 N HN 0.402 nan 8.380 nan 0.000 0.444 366 S N -1.021 114.652 115.700 -0.044 0.000 2.535 366 S HA 0.151 4.620 4.470 -0.001 0.000 0.214 366 S C 0.489 175.032 174.600 -0.095 0.000 0.980 366 S CA -0.214 57.953 58.200 -0.056 0.000 0.907 366 S CB 0.304 63.485 63.200 -0.032 0.000 0.790 366 S HN -0.052 nan 8.310 nan 0.000 0.510 367 Q N 1.397 121.108 119.800 -0.148 0.000 2.509 367 Q HA 0.552 4.891 4.340 -0.001 0.000 0.230 367 Q C 0.957 176.815 176.000 -0.237 0.000 1.089 367 Q CA 0.082 55.756 55.803 -0.215 0.000 0.901 367 Q CB 1.071 29.557 28.738 -0.421 0.000 1.208 367 Q HN 0.440 nan 8.270 nan 0.000 0.529 368 A N 2.464 125.218 122.820 -0.111 0.000 1.986 368 A HA -0.279 4.040 4.320 -0.001 0.000 0.220 368 A C 1.634 179.159 177.584 -0.099 0.000 1.171 368 A CA 2.234 54.224 52.037 -0.079 0.000 0.640 368 A CB -0.753 18.227 19.000 -0.033 0.000 0.811 368 A HN 0.891 nan 8.150 nan 0.000 0.451 369 H N -3.444 115.552 119.070 -0.123 0.000 2.489 369 H HA -0.073 4.483 4.556 -0.001 0.000 0.295 369 H C 1.372 176.649 175.328 -0.085 0.000 1.082 369 H CA 1.604 57.568 56.048 -0.141 0.000 1.295 369 H CB -0.557 29.066 29.762 -0.233 0.000 1.380 369 H HN 0.422 nan 8.280 nan 0.000 0.548 370 F N 0.821 120.469 119.950 -0.505 0.000 2.367 370 F HA 0.046 4.573 4.527 -0.001 0.000 0.298 370 F C 0.733 176.464 175.800 -0.116 0.000 1.094 370 F CA 0.559 58.401 58.000 -0.263 0.000 1.409 370 F CB -0.251 38.564 39.000 -0.308 0.000 1.064 370 F HN 0.168 nan 8.300 nan 0.000 0.528 371 N N 0.720 119.458 118.700 0.062 0.000 2.714 371 N HA -0.165 4.575 4.740 -0.001 0.000 0.253 371 N C -1.053 174.429 175.510 -0.048 0.000 1.024 371 N CA 0.434 53.503 53.050 0.031 0.000 0.726 371 N CB -1.448 37.109 38.487 0.116 0.000 0.908 371 N HN 0.025 nan 8.380 nan 0.000 0.542 372 V N 0.618 120.496 119.914 -0.060 0.000 2.789 372 V HA 0.423 4.543 4.120 -0.001 0.000 0.311 372 V C 0.029 176.035 176.094 -0.147 0.000 1.073 372 V CA -0.675 61.539 62.300 -0.143 0.000 0.921 372 V CB 2.541 34.306 31.823 -0.098 0.000 1.009 372 V HN 0.208 nan 8.190 nan 0.000 0.426 373 Q N 2.963 122.623 119.800 -0.233 0.000 2.320 373 Q HA 0.764 5.104 4.340 -0.001 0.000 0.268 373 Q C -0.848 174.898 176.000 -0.423 0.000 1.023 373 Q CA -0.154 55.489 55.803 -0.267 0.000 0.744 373 Q CB 1.630 30.215 28.738 -0.255 0.000 1.246 373 Q HN 1.012 nan 8.270 nan 0.000 0.462 374 A N 4.293 126.845 122.820 -0.446 0.000 2.350 374 A HA 0.921 5.241 4.320 -0.001 0.000 0.324 374 A C -1.166 175.728 177.584 -1.150 0.000 1.118 374 A CA -0.494 51.103 52.037 -0.732 0.000 0.783 374 A CB 1.220 19.960 19.000 -0.433 0.000 1.236 374 A HN 0.767 nan 8.150 nan 0.000 0.457 375 Q N 1.030 120.064 119.800 -1.276 0.000 2.633 375 Q HA 0.452 4.792 4.340 -0.001 0.000 0.289 375 Q C -1.692 173.888 176.000 -0.700 0.000 0.940 375 Q CA -0.692 54.403 55.803 -1.180 0.000 0.785 375 Q CB 0.526 28.936 28.738 -0.546 0.000 1.467 375 Q HN 0.384 nan 8.270 nan 0.000 0.401 376 F N 0.502 120.381 119.950 -0.117 0.000 2.518 376 F HA 0.639 5.165 4.527 -0.001 0.000 0.359 376 F C 1.232 177.086 175.800 0.090 0.000 1.118 376 F CA 1.427 59.479 58.000 0.087 0.000 1.287 376 F CB 0.980 40.085 39.000 0.175 0.000 1.132 376 F HN 0.756 nan 8.300 nan 0.000 0.587 377 G N 0.247 109.232 108.800 0.309 0.000 2.687 377 G HA2 0.602 4.562 3.960 -0.001 0.000 0.291 377 G HA3 0.602 4.562 3.960 -0.001 0.000 0.291 377 G C -1.090 173.812 174.900 0.004 0.000 1.420 377 G CA -0.619 44.597 45.100 0.194 0.000 0.796 377 G HN 0.711 nan 8.290 nan 0.000 0.485 378 T N -1.880 112.595 114.554 -0.132 0.000 2.937 378 T HA 0.478 4.827 4.350 -0.001 0.000 0.283 378 T C 1.305 175.844 174.700 -0.269 0.000 1.012 378 T CA -0.437 61.546 62.100 -0.195 0.000 0.997 378 T CB 1.519 70.285 68.868 -0.169 0.000 1.136 378 T HN 0.567 nan 8.240 nan 0.000 0.551 379 L N 0.531 121.593 121.223 -0.268 0.000 2.017 379 L HA 0.021 4.360 4.340 -0.001 0.000 0.208 379 L C 2.785 179.602 176.870 -0.089 0.000 1.073 379 L CA 2.006 56.715 54.840 -0.220 0.000 0.745 379 L CB -1.118 40.840 42.059 -0.169 0.000 0.894 379 L HN 0.899 nan 8.230 nan 0.000 0.432 380 Q N -0.111 119.666 119.800 -0.039 0.000 2.124 380 Q HA -0.221 4.118 4.340 -0.001 0.000 0.202 380 Q C 2.072 177.999 176.000 -0.122 0.000 0.977 380 Q CA 1.969 57.784 55.803 0.021 0.000 0.850 380 Q CB -0.172 28.552 28.738 -0.022 0.000 0.901 380 Q HN 0.633 nan 8.270 nan 0.000 0.429 381 E N -1.150 118.885 120.200 -0.276 0.000 2.077 381 E HA -0.224 4.126 4.350 -0.001 0.000 0.193 381 E C 1.706 177.854 176.600 -0.753 0.000 0.989 381 E CA 1.185 57.294 56.400 -0.484 0.000 0.800 381 E CB -0.318 29.017 29.700 -0.607 0.000 0.746 381 E HN 0.476 nan 8.360 nan 0.000 0.452 382 Y N 0.675 120.434 120.300 -0.900 0.000 2.097 382 Y HA -0.277 4.272 4.550 -0.001 0.000 0.282 382 Y C 1.888 177.493 175.900 -0.491 0.000 1.152 382 Y CA 1.630 59.243 58.100 -0.812 0.000 1.136 382 Y CB -0.506 37.503 38.460 -0.751 0.000 0.975 382 Y HN -0.061 nan 8.280 nan 0.000 0.498 383 F N 0.872 120.544 119.950 -0.463 0.000 2.171 383 F HA -0.179 4.348 4.527 -0.001 0.000 0.300 383 F C 2.252 177.811 175.800 -0.401 0.000 1.090 383 F CA 1.760 59.468 58.000 -0.486 0.000 1.293 383 F CB -0.841 38.072 39.000 -0.145 0.000 1.013 383 F HN 0.092 nan 8.300 nan 0.000 0.486 384 D N 0.028 120.371 120.400 -0.096 0.000 2.149 384 D HA -0.156 4.484 4.640 -0.001 0.000 0.198 384 D C 2.341 178.562 176.300 -0.131 0.000 0.990 384 D CA 1.469 55.423 54.000 -0.076 0.000 0.839 384 D CB -0.557 40.189 40.800 -0.090 0.000 0.948 384 D HN 0.250 nan 8.370 nan 0.000 0.460 385 A N 0.431 123.117 122.820 -0.224 0.000 1.929 385 A HA -0.084 4.235 4.320 -0.001 0.000 0.216 385 A C 2.520 179.983 177.584 -0.202 0.000 1.176 385 A CA 0.870 52.821 52.037 -0.143 0.000 0.628 385 A CB -0.635 18.356 19.000 -0.014 0.000 0.816 385 A HN 0.128 nan 8.150 nan 0.000 0.444 386 V N 0.033 119.690 119.914 -0.428 0.000 2.287 386 V HA -0.269 3.850 4.120 -0.001 0.000 0.248 386 V C 2.425 178.326 176.094 -0.323 0.000 1.053 386 V CA 2.159 64.204 62.300 -0.426 0.000 1.027 386 V CB -1.039 30.345 31.823 -0.730 0.000 0.646 386 V HN 0.651 nan 8.190 nan 0.000 0.447 387 H N -0.294 118.657 119.070 -0.199 0.000 2.462 387 H HA -0.083 4.472 4.556 -0.001 0.000 0.292 387 H C 2.410 177.702 175.328 -0.062 0.000 1.049 387 H CA 1.359 57.322 56.048 -0.141 0.000 1.334 387 H CB -0.079 29.561 29.762 -0.205 0.000 1.404 387 H HN 0.559 nan 8.280 nan 0.000 0.544 388 Q N 0.256 120.070 119.800 0.023 0.000 2.084 388 Q HA -0.059 4.280 4.340 -0.001 0.000 0.202 388 Q C 2.560 178.577 176.000 0.028 0.000 0.978 388 Q CA 1.258 57.073 55.803 0.020 0.000 0.844 388 Q CB 0.006 28.745 28.738 0.001 0.000 0.898 388 Q HN 0.405 nan 8.270 nan 0.000 0.426 389 A N 1.089 123.921 122.820 0.020 0.000 1.902 389 A HA -0.261 4.058 4.320 -0.001 0.000 0.217 389 A C 1.936 179.550 177.584 0.050 0.000 1.181 389 A CA 1.616 53.679 52.037 0.042 0.000 0.623 389 A CB -0.554 18.475 19.000 0.049 0.000 0.818 389 A HN 0.454 nan 8.150 nan 0.000 0.443 390 E N -0.163 120.084 120.200 0.079 0.000 2.058 390 E HA -0.232 4.118 4.350 -0.001 0.000 0.194 390 E C 2.220 178.857 176.600 0.062 0.000 0.997 390 E CA 1.234 57.688 56.400 0.090 0.000 0.801 390 E CB -0.153 29.708 29.700 0.268 0.000 0.746 390 E HN 0.583 nan 8.360 nan 0.000 0.450 391 R N -0.242 120.297 120.500 0.066 0.000 2.152 391 R HA -0.048 4.292 4.340 -0.001 0.000 0.232 391 R C 2.122 178.439 176.300 0.027 0.000 1.117 391 R CA 0.853 56.978 56.100 0.042 0.000 0.981 391 R CB -0.160 30.160 30.300 0.033 0.000 0.870 391 R HN 0.145 nan 8.270 nan 0.000 0.451 392 A N 0.285 123.122 122.820 0.029 0.000 2.235 392 A HA 0.163 4.482 4.320 -0.001 0.000 0.208 392 A C 1.352 178.946 177.584 0.017 0.000 1.172 392 A CA 0.790 52.841 52.037 0.024 0.000 0.786 392 A CB -0.230 18.790 19.000 0.033 0.000 0.804 392 A HN 0.453 nan 8.150 nan 0.000 0.479 393 G N -0.338 108.469 108.800 0.011 0.000 2.143 393 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.248 393 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.248 393 G C 0.705 175.598 174.900 -0.013 0.000 0.991 393 G CA 0.715 45.813 45.100 -0.004 0.000 0.689 393 G HN 0.998 nan 8.290 nan 0.000 0.522 394 Q N -0.896 118.902 119.800 -0.003 0.000 2.424 394 Q HA 0.666 5.006 4.340 -0.001 0.000 0.204 394 Q C 0.892 176.868 176.000 -0.039 0.000 0.933 394 Q CA 1.148 56.951 55.803 0.001 0.000 0.929 394 Q CB 0.420 29.194 28.738 0.060 0.000 1.037 394 Q HN 1.650 nan 8.270 nan 0.000 0.511 395 A N 1.157 123.911 122.820 -0.110 0.000 2.604 395 A HA 0.527 4.846 4.320 -0.001 0.000 0.295 395 A C -1.715 175.637 177.584 -0.387 0.000 1.067 395 A CA -0.937 50.944 52.037 -0.261 0.000 0.683 395 A CB 1.312 20.098 19.000 -0.356 0.000 1.281 395 A HN 0.359 nan 8.150 nan 0.000 0.407 396 E N 0.673 120.619 120.200 -0.422 0.000 2.288 396 E HA 0.759 5.108 4.350 -0.001 0.000 0.268 396 E C -1.756 174.602 176.600 -0.403 0.000 0.885 396 E CA -0.583 55.633 56.400 -0.308 0.000 0.767 396 E CB 1.798 31.440 29.700 -0.097 0.000 1.220 396 E HN 0.334 nan 8.360 nan 0.000 0.427 397 F N 1.577 121.633 119.950 0.176 0.000 2.480 397 F HA 0.426 4.952 4.527 -0.000 0.000 0.329 397 F C -1.901 174.000 175.800 0.168 0.000 1.091 397 F CA -2.318 55.809 58.000 0.211 0.000 0.972 397 F CB 1.271 40.476 39.000 0.342 0.000 1.150 397 F HN 0.335 nan 8.300 nan 0.000 0.467 398 P HA 0.189 nan 4.420 nan 0.000 0.274 398 P C -0.648 176.791 177.300 0.231 0.000 1.237 398 P CA -0.363 62.866 63.100 0.215 0.000 0.793 398 P CB 0.982 32.776 31.700 0.156 0.000 0.977 399 T N -0.572 114.071 114.554 0.148 0.000 2.907 399 T HA 0.679 5.029 4.350 -0.001 0.000 0.284 399 T C -0.281 174.450 174.700 0.053 0.000 1.004 399 T CA -0.800 61.381 62.100 0.134 0.000 1.063 399 T CB 1.060 69.985 68.868 0.095 0.000 0.992 399 T HN 0.470 nan 8.240 nan 0.000 0.483 400 L N 1.748 123.002 121.223 0.052 0.000 2.472 400 L HA 0.722 5.062 4.340 -0.001 0.000 0.260 400 L C -0.746 176.122 176.870 -0.002 0.000 0.963 400 L CA -0.433 54.333 54.840 -0.123 0.000 0.829 400 L CB 2.194 43.939 42.059 -0.523 0.000 1.348 400 L HN 1.109 nan 8.230 nan 0.000 0.408 401 S N 2.467 118.119 115.700 -0.080 0.000 2.599 401 S HA 1.060 5.529 4.470 -0.001 0.000 0.287 401 S C -0.338 174.193 174.600 -0.116 0.000 1.105 401 S CA -0.006 58.202 58.200 0.014 0.000 0.899 401 S CB 2.066 65.237 63.200 -0.047 0.000 1.100 401 S HN 1.708 nan 8.310 nan 0.000 0.482 402 G N 1.071 109.858 108.800 -0.022 0.000 2.343 402 G HA2 0.322 4.281 3.960 -0.001 0.000 0.562 402 G HA3 0.322 4.281 3.960 -0.001 0.000 0.562 402 G C -1.799 173.004 174.900 -0.161 0.000 1.269 402 G CA -0.016 44.972 45.100 -0.186 0.000 1.011 402 G HN 1.296 nan 8.290 nan 0.000 0.498 403 D N -1.730 118.439 120.400 -0.385 0.000 2.585 403 D HA 0.748 5.387 4.640 -0.001 0.000 0.254 403 D C -0.662 175.130 176.300 -0.846 0.000 1.067 403 D CA -1.054 52.738 54.000 -0.347 0.000 1.090 403 D CB 1.143 41.923 40.800 -0.033 0.000 1.408 403 D HN 0.380 nan 8.370 nan 0.000 0.554 404 F N -0.394 119.433 119.950 -0.205 0.000 2.679 404 F HA 0.398 4.924 4.527 -0.001 0.000 0.354 404 F C -0.937 174.695 175.800 -0.280 0.000 1.423 404 F CA -0.640 57.239 58.000 -0.203 0.000 1.141 404 F CB 0.158 39.070 39.000 -0.147 0.000 1.168 404 F HN 0.002 nan 8.300 nan 0.000 0.530 405 F N -0.673 119.449 119.950 0.286 0.000 2.546 405 F HA 0.560 5.087 4.527 -0.001 0.000 0.320 405 F C 0.556 176.607 175.800 0.418 0.000 1.076 405 F CA -1.381 56.857 58.000 0.397 0.000 0.928 405 F CB 1.689 40.915 39.000 0.376 0.000 1.189 405 F HN -0.278 nan 8.300 nan 0.000 0.465 406 T N 2.058 116.985 114.554 0.622 0.000 2.799 406 T HA 0.174 4.523 4.350 -0.001 0.000 0.286 406 T C -0.966 174.193 174.700 0.764 0.000 0.973 406 T CA -0.218 62.317 62.100 0.725 0.000 1.035 406 T CB 0.192 69.354 68.868 0.490 0.000 0.932 406 T HN 0.378 nan 8.240 nan 0.000 0.469 407 Y N 3.000 123.621 120.300 0.534 0.000 2.511 407 Y HA 0.436 4.985 4.550 -0.001 0.000 0.332 407 Y C -0.165 175.776 175.900 0.069 0.000 1.177 407 Y CA -1.121 57.126 58.100 0.246 0.000 1.422 407 Y CB 0.149 38.637 38.460 0.047 0.000 1.271 407 Y HN 0.681 nan 8.280 nan 0.000 0.550 408 A N 5.197 127.543 122.820 -0.790 0.000 2.374 408 A HA 0.353 4.672 4.320 -0.001 0.000 0.305 408 A C -0.013 176.927 177.584 -1.074 0.000 1.053 408 A CA -0.266 51.156 52.037 -1.024 0.000 0.726 408 A CB 0.697 18.862 19.000 -1.393 0.000 1.229 408 A HN 0.813 nan 8.150 nan 0.000 0.431 409 D N 1.618 121.540 120.400 -0.797 0.000 2.305 409 D HA 0.038 4.677 4.640 -0.001 0.000 0.206 409 D C 0.545 176.874 176.300 0.048 0.000 0.974 409 D CA 0.612 54.402 54.000 -0.349 0.000 0.871 409 D CB 0.173 40.892 40.800 -0.136 0.000 0.947 409 D HN 0.746 nan 8.370 nan 0.000 0.516 410 R N -2.389 118.072 120.500 -0.066 0.000 2.753 410 R HA 0.362 4.701 4.340 -0.001 0.000 0.272 410 R C -0.161 176.031 176.300 -0.179 0.000 1.034 410 R CA -0.121 55.775 56.100 -0.339 0.000 0.869 410 R CB 0.641 30.831 30.300 -0.183 0.000 1.264 410 R HN -0.121 nan 8.270 nan 0.000 0.481 411 S N 0.203 115.750 115.700 -0.256 0.000 4.050 411 S HA -0.303 4.167 4.470 -0.001 0.000 0.602 411 S C 0.455 175.139 174.600 0.141 0.000 2.030 411 S CA 2.037 60.233 58.200 -0.005 0.000 4.208 411 S CB -1.036 62.142 63.200 -0.038 0.000 0.290 411 S HN 1.079 nan 8.310 nan 0.000 0.615 412 D N 1.384 121.848 120.400 0.106 0.000 2.463 412 D HA 0.199 4.838 4.640 -0.001 0.000 0.224 412 D C -0.043 176.356 176.300 0.166 0.000 1.174 412 D CA -0.152 53.975 54.000 0.212 0.000 0.829 412 D CB -1.439 39.465 40.800 0.175 0.000 0.993 412 D HN 0.509 nan 8.370 nan 0.000 0.497 413 N N 0.959 119.661 118.700 0.004 0.000 2.807 413 N HA 0.057 4.797 4.740 -0.001 0.000 0.259 413 N C -0.937 174.589 175.510 0.027 0.000 1.149 413 N CA -0.321 52.737 53.050 0.012 0.000 1.042 413 N CB 0.171 38.656 38.487 -0.004 0.000 1.367 413 N HN 0.134 nan 8.380 nan 0.000 0.516 414 Y N 0.224 120.613 120.300 0.148 0.000 2.316 414 Y HA 0.113 4.663 4.550 -0.001 0.000 0.331 414 Y C 0.117 176.214 175.900 0.328 0.000 1.083 414 Y CA -0.677 57.573 58.100 0.251 0.000 1.206 414 Y CB 0.570 39.121 38.460 0.151 0.000 1.195 414 Y HN 0.405 nan 8.280 nan 0.000 0.497 415 W N 2.385 123.810 121.300 0.207 0.000 1.694 415 W HA 0.213 4.873 4.660 -0.001 0.000 0.425 415 W C 0.875 177.431 176.519 0.062 0.000 0.615 415 W CA -0.533 56.965 57.345 0.256 0.000 2.237 415 W CB -0.533 29.193 29.460 0.443 0.000 1.478 415 W HN 0.549 nan 8.180 nan 0.000 0.427 416 S N -2.140 113.580 115.700 0.033 0.000 2.556 416 S HA 0.127 4.596 4.470 -0.001 0.000 0.216 416 S C 1.960 176.277 174.600 -0.471 0.000 0.970 416 S CA 0.335 58.179 58.200 -0.593 0.000 0.912 416 S CB 0.148 63.329 63.200 -0.033 0.000 0.790 416 S HN 0.334 nan 8.310 nan 0.000 0.504 417 G N 2.006 110.731 108.800 -0.125 0.000 2.408 417 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.217 417 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.217 417 G C 1.247 176.120 174.900 -0.046 0.000 1.150 417 G CA 0.886 45.924 45.100 -0.103 0.000 0.776 417 G HN 0.798 nan 8.290 nan 0.000 0.542 418 Y N -0.444 119.822 120.300 -0.056 0.000 2.632 418 Y HA 0.149 4.698 4.550 -0.001 0.000 0.301 418 Y C 1.764 177.787 175.900 0.205 0.000 1.172 418 Y CA -0.366 57.781 58.100 0.079 0.000 1.328 418 Y CB -0.364 38.220 38.460 0.207 0.000 1.016 418 Y HN 0.181 nan 8.280 nan 0.000 0.529 419 Y N 0.560 120.643 120.300 -0.362 0.000 2.574 419 Y HA -0.014 4.535 4.550 -0.001 0.000 0.294 419 Y C 1.683 177.529 175.900 -0.089 0.000 1.142 419 Y CA 0.590 58.510 58.100 -0.300 0.000 1.314 419 Y CB -0.683 37.637 38.460 -0.234 0.000 0.991 419 Y HN 0.307 nan 8.280 nan 0.000 0.555 420 T N -2.789 111.829 114.554 0.107 0.000 2.980 420 T HA 0.078 4.427 4.350 -0.001 0.000 0.252 420 T C 0.706 175.489 174.700 0.138 0.000 0.962 420 T CA -0.081 62.082 62.100 0.105 0.000 0.932 420 T CB 0.023 68.922 68.868 0.051 0.000 1.188 420 T HN -0.071 nan 8.240 nan 0.000 0.500 421 S N 2.537 118.316 115.700 0.132 0.000 2.573 421 S HA 0.173 4.643 4.470 -0.001 0.000 0.297 421 S C 0.376 175.108 174.600 0.219 0.000 1.280 421 S CA 0.025 58.315 58.200 0.150 0.000 1.061 421 S CB 0.071 63.347 63.200 0.126 0.000 0.812 421 S HN 0.404 nan 8.310 nan 0.000 0.500 422 R N 1.081 121.727 120.500 0.244 0.000 3.146 422 R HA -0.124 4.216 4.340 -0.001 0.000 0.250 422 R C -1.970 174.574 176.300 0.406 0.000 0.912 422 R CA 0.671 56.992 56.100 0.368 0.000 0.633 422 R CB -1.788 28.764 30.300 0.421 0.000 1.180 422 R HN 0.507 nan 8.270 nan 0.000 0.464 423 P HA -0.220 nan 4.420 nan 0.000 0.223 423 P C 1.129 178.633 177.300 0.340 0.000 1.151 423 P CA 0.961 64.273 63.100 0.354 0.000 0.787 423 P CB -0.020 31.930 31.700 0.417 0.000 0.788 424 Y N 1.624 122.010 120.300 0.143 0.000 2.128 424 Y HA -0.267 4.283 4.550 -0.001 0.000 0.284 424 Y C 2.311 178.181 175.900 -0.050 0.000 1.154 424 Y CA 2.125 60.224 58.100 -0.001 0.000 1.149 424 Y CB -0.974 37.358 38.460 -0.213 0.000 0.976 424 Y HN 0.069 nan 8.280 nan 0.000 0.505 425 H N -0.892 118.418 119.070 0.400 0.000 2.470 425 H HA 0.015 4.570 4.556 -0.001 0.000 0.289 425 H C 2.047 177.517 175.328 0.236 0.000 1.033 425 H CA 1.266 57.470 56.048 0.260 0.000 1.331 425 H CB -0.111 29.870 29.762 0.365 0.000 1.414 425 H HN 0.251 nan 8.280 nan 0.000 0.545 426 K N 0.378 120.990 120.400 0.353 0.000 2.057 426 K HA -0.160 4.159 4.320 -0.001 0.000 0.207 426 K C 2.259 178.915 176.600 0.093 0.000 1.049 426 K CA 1.270 57.707 56.287 0.250 0.000 0.931 426 K CB 0.058 32.683 32.500 0.209 0.000 0.714 426 K HN 0.031 nan 8.250 nan 0.000 0.440 427 R N 1.342 121.866 120.500 0.040 0.000 2.075 427 R HA -0.003 4.336 4.340 -0.001 0.000 0.232 427 R C 2.048 178.111 176.300 -0.394 0.000 1.126 427 R CA 1.421 57.478 56.100 -0.072 0.000 0.963 427 R CB -0.407 29.941 30.300 0.080 0.000 0.858 427 R HN 0.162 nan 8.270 nan 0.000 0.435 428 M N 0.250 119.486 119.600 -0.607 0.000 2.149 428 M HA -0.196 4.284 4.480 -0.001 0.000 0.261 428 M C 1.420 177.398 176.300 -0.538 0.000 1.064 428 M CA 2.392 57.091 55.300 -1.001 0.000 1.102 428 M CB -0.305 31.876 32.600 -0.699 0.000 1.369 428 M HN 0.275 nan 8.290 nan 0.000 0.408 429 D N -0.255 120.012 120.400 -0.221 0.000 2.133 429 D HA -0.215 4.425 4.640 -0.001 0.000 0.195 429 D C 1.886 178.112 176.300 -0.125 0.000 0.997 429 D CA 1.424 55.398 54.000 -0.044 0.000 0.840 429 D CB 0.128 41.048 40.800 0.201 0.000 0.947 429 D HN 0.213 nan 8.370 nan 0.000 0.452 430 R N 0.017 120.420 120.500 -0.162 0.000 2.115 430 R HA 0.008 4.348 4.340 -0.001 0.000 0.226 430 R C 2.405 178.569 176.300 -0.226 0.000 1.100 430 R CA 0.373 56.372 56.100 -0.168 0.000 0.980 430 R CB -0.891 29.327 30.300 -0.135 0.000 0.875 430 R HN 0.258 nan 8.270 nan 0.000 0.445 431 V N 1.498 121.210 119.914 -0.337 0.000 2.261 431 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 431 V C 2.352 178.335 176.094 -0.186 0.000 1.047 431 V CA 1.533 63.632 62.300 -0.335 0.000 1.015 431 V CB -0.572 30.861 31.823 -0.650 0.000 0.642 431 V HN 0.139 nan 8.190 nan 0.000 0.446 432 L N -0.382 120.714 121.223 -0.211 0.000 2.141 432 L HA -0.144 4.195 4.340 -0.001 0.000 0.209 432 L C 2.296 179.112 176.870 -0.091 0.000 1.094 432 L CA 1.989 56.774 54.840 -0.092 0.000 0.763 432 L CB -0.672 41.307 42.059 -0.133 0.000 0.908 432 L HN 0.341 nan 8.230 nan 0.000 0.437 433 M N -1.337 118.184 119.600 -0.132 0.000 2.082 433 M HA -0.324 4.156 4.480 -0.001 0.000 0.258 433 M C 2.368 178.561 176.300 -0.178 0.000 1.069 433 M CA 2.395 57.600 55.300 -0.159 0.000 1.102 433 M CB -0.400 32.076 32.600 -0.206 0.000 1.336 433 M HN 0.545 nan 8.290 nan 0.000 0.404 434 H N -0.678 118.229 119.070 -0.272 0.000 2.357 434 H HA -0.150 4.406 4.556 -0.001 0.000 0.301 434 H C 1.421 176.591 175.328 -0.263 0.000 1.082 434 H CA 2.357 58.215 56.048 -0.317 0.000 1.342 434 H CB -0.360 29.128 29.762 -0.456 0.000 1.389 434 H HN 0.485 nan 8.280 nan 0.000 0.511 435 Y N -0.599 119.551 120.300 -0.250 0.000 2.293 435 Y HA -0.115 4.435 4.550 -0.001 0.000 0.291 435 Y C 2.690 178.466 175.900 -0.207 0.000 1.137 435 Y CA 1.010 58.967 58.100 -0.240 0.000 1.202 435 Y CB -0.484 37.906 38.460 -0.116 0.000 0.990 435 Y HN 0.113 nan 8.280 nan 0.000 0.537 436 V N 0.146 120.029 119.914 -0.051 0.000 2.307 436 V HA -0.298 3.822 4.120 -0.001 0.000 0.245 436 V C 2.548 178.579 176.094 -0.104 0.000 1.045 436 V CA 2.136 64.392 62.300 -0.073 0.000 1.024 436 V CB -0.553 31.218 31.823 -0.087 0.000 0.651 436 V HN 0.308 nan 8.190 nan 0.000 0.449 437 R N 0.446 120.850 120.500 -0.160 0.000 2.083 437 R HA -0.194 4.146 4.340 -0.001 0.000 0.237 437 R C 2.254 178.495 176.300 -0.099 0.000 1.137 437 R CA 1.967 57.984 56.100 -0.138 0.000 0.951 437 R CB -0.516 29.684 30.300 -0.167 0.000 0.851 437 R HN 0.459 nan 8.270 nan 0.000 0.434 438 A N 0.622 123.337 122.820 -0.176 0.000 1.933 438 A HA -0.057 4.262 4.320 -0.001 0.000 0.218 438 A C 2.372 179.972 177.584 0.025 0.000 1.175 438 A CA 1.613 53.647 52.037 -0.004 0.000 0.628 438 A CB -0.734 18.246 19.000 -0.033 0.000 0.814 438 A HN 0.583 nan 8.150 nan 0.000 0.444 439 A N -0.132 122.689 122.820 0.001 0.000 1.898 439 A HA -0.151 4.169 4.320 -0.001 0.000 0.216 439 A C 1.931 179.490 177.584 -0.041 0.000 1.181 439 A CA 1.537 53.568 52.037 -0.011 0.000 0.620 439 A CB -0.507 18.479 19.000 -0.023 0.000 0.819 439 A HN 0.620 nan 8.150 nan 0.000 0.442 440 E N -0.960 119.207 120.200 -0.055 0.000 2.110 440 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 440 E C 2.054 178.605 176.600 -0.082 0.000 0.988 440 E CA 1.358 57.713 56.400 -0.076 0.000 0.804 440 E CB -0.257 29.394 29.700 -0.081 0.000 0.745 440 E HN 0.751 nan 8.360 nan 0.000 0.458 441 M N 0.723 120.299 119.600 -0.041 0.000 2.098 441 M HA -0.135 4.345 4.480 -0.001 0.000 0.262 441 M C 2.162 178.472 176.300 0.017 0.000 1.072 441 M CA 1.315 56.592 55.300 -0.039 0.000 1.133 441 M CB 0.051 32.724 32.600 0.122 0.000 1.344 441 M HN 0.071 nan 8.290 nan 0.000 0.414 442 L N 0.087 121.381 121.223 0.117 0.000 2.079 442 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 442 L C 2.593 179.635 176.870 0.286 0.000 1.081 442 L CA 1.704 56.673 54.840 0.214 0.000 0.752 442 L CB -0.555 41.488 42.059 -0.026 0.000 0.896 442 L HN 0.514 nan 8.230 nan 0.000 0.433 443 S N -1.056 114.731 115.700 0.146 0.000 2.528 443 S HA 0.086 4.556 4.470 -0.001 0.000 0.219 443 S C 1.957 176.731 174.600 0.291 0.000 0.985 443 S CA 0.360 58.717 58.200 0.262 0.000 0.914 443 S CB 0.066 63.227 63.200 -0.066 0.000 0.776 443 S HN 0.291 nan 8.310 nan 0.000 0.526 444 A N 0.954 123.770 122.820 -0.006 0.000 2.015 444 A HA 0.102 4.421 4.320 -0.001 0.000 0.219 444 A C 1.684 179.157 177.584 -0.184 0.000 1.163 444 A CA 0.730 52.663 52.037 -0.174 0.000 0.646 444 A CB -1.166 17.579 19.000 -0.425 0.000 0.806 444 A HN 0.756 nan 8.150 nan 0.000 0.448 445 W N -0.627 120.687 121.300 0.023 0.000 2.392 445 W HA -0.022 4.638 4.660 -0.001 0.000 0.279 445 W C 0.894 177.212 176.519 -0.335 0.000 1.225 445 W CA 1.021 58.281 57.345 -0.143 0.000 1.233 445 W CB -0.183 29.149 29.460 -0.214 0.000 1.122 445 W HN 0.393 nan 8.180 nan 0.000 0.561 446 H N -2.396 116.733 119.070 0.098 0.000 2.834 446 H HA 0.391 4.947 4.556 -0.001 0.000 0.369 446 H C -0.435 174.790 175.328 -0.172 0.000 1.174 446 H CA -0.915 55.033 56.048 -0.166 0.000 1.165 446 H CB 1.654 31.069 29.762 -0.579 0.000 1.820 446 H HN -0.443 nan 8.280 nan 0.000 0.558 447 S N 0.826 116.484 115.700 -0.072 0.000 2.525 447 S HA 0.239 4.709 4.470 -0.001 0.000 0.278 447 S C -1.193 173.313 174.600 -0.156 0.000 1.234 447 S CA -0.630 57.557 58.200 -0.022 0.000 1.058 447 S CB 0.235 63.431 63.200 -0.008 0.000 0.983 447 S HN 0.326 nan 8.310 nan 0.000 0.495 448 W N 1.686 122.989 121.300 0.004 0.000 2.666 448 W HA 0.343 5.003 4.660 -0.001 0.000 0.334 448 W C 0.220 176.697 176.519 -0.070 0.000 1.051 448 W CA -0.787 56.533 57.345 -0.042 0.000 1.224 448 W CB 0.574 29.976 29.460 -0.098 0.000 1.405 448 W HN 0.544 nan 8.180 nan 0.000 0.513 449 D N 1.061 121.544 120.400 0.138 0.000 2.423 449 D HA -0.005 4.635 4.640 -0.001 0.000 0.238 449 D C 1.419 177.721 176.300 0.003 0.000 1.142 449 D CA 0.810 54.851 54.000 0.069 0.000 0.884 449 D CB 1.651 42.515 40.800 0.107 0.000 1.199 449 D HN 0.688 nan 8.370 nan 0.000 0.438 450 G N 3.260 112.069 108.800 0.014 0.000 2.462 450 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.220 450 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.220 450 G C 1.448 176.321 174.900 -0.045 0.000 1.121 450 G CA 0.340 45.433 45.100 -0.010 0.000 0.758 450 G HN 0.470 nan 8.290 nan 0.000 0.559 451 M N 1.032 120.616 119.600 -0.027 0.000 2.460 451 M HA 0.118 4.598 4.480 -0.001 0.000 0.263 451 M C 2.701 178.914 176.300 -0.145 0.000 1.071 451 M CA 0.645 55.950 55.300 0.009 0.000 1.096 451 M CB -0.808 31.893 32.600 0.169 0.000 1.408 451 M HN 0.314 nan 8.290 nan 0.000 0.463 452 A N -0.165 122.337 122.820 -0.530 0.000 2.167 452 A HA -0.005 4.314 4.320 -0.001 0.000 0.214 452 A C 1.227 178.599 177.584 -0.352 0.000 1.151 452 A CA 0.267 51.766 52.037 -0.896 0.000 0.735 452 A CB -0.294 18.017 19.000 -1.149 0.000 0.802 452 A HN 0.581 nan 8.150 nan 0.000 0.467 453 R N -1.684 118.688 120.500 -0.213 0.000 3.758 453 R HA -0.178 4.161 4.340 -0.001 0.000 0.299 453 R C 0.656 176.845 176.300 -0.185 0.000 1.182 453 R CA 0.762 56.779 56.100 -0.139 0.000 0.809 453 R CB -2.159 28.093 30.300 -0.080 0.000 1.249 453 R HN 0.469 nan 8.270 nan 0.000 0.497 454 I N 0.569 120.978 120.570 -0.268 0.000 2.193 454 I HA -0.174 3.995 4.170 -0.001 0.000 0.240 454 I C 2.133 178.125 176.117 -0.208 0.000 1.084 454 I CA 1.643 62.738 61.300 -0.340 0.000 1.365 454 I CB -0.667 36.981 38.000 -0.586 0.000 1.064 454 I HN 0.193 nan 8.210 nan 0.000 0.410 455 E N 0.716 120.832 120.200 -0.141 0.000 2.110 455 E HA -0.238 4.111 4.350 -0.001 0.000 0.193 455 E C 2.087 178.640 176.600 -0.078 0.000 0.988 455 E CA 1.201 57.547 56.400 -0.089 0.000 0.804 455 E CB -0.222 29.450 29.700 -0.047 0.000 0.745 455 E HN 0.478 nan 8.360 nan 0.000 0.458 456 E N 0.393 120.548 120.200 -0.075 0.000 2.051 456 E HA -0.244 4.106 4.350 -0.001 0.000 0.192 456 E C 1.913 178.472 176.600 -0.069 0.000 0.991 456 E CA 1.050 57.415 56.400 -0.058 0.000 0.799 456 E CB 0.103 29.773 29.700 -0.050 0.000 0.748 456 E HN -0.031 nan 8.360 nan 0.000 0.449 457 R N 0.257 120.703 120.500 -0.089 0.000 2.092 457 R HA 0.011 4.350 4.340 -0.001 0.000 0.231 457 R C 2.355 178.600 176.300 -0.092 0.000 1.119 457 R CA 0.840 56.887 56.100 -0.088 0.000 0.970 457 R CB -0.426 29.813 30.300 -0.102 0.000 0.864 457 R HN 0.283 nan 8.270 nan 0.000 0.440 458 L N -0.174 120.986 121.223 -0.105 0.000 2.109 458 L HA -0.088 4.252 4.340 -0.001 0.000 0.207 458 L C 2.333 179.145 176.870 -0.096 0.000 1.086 458 L CA 1.334 56.113 54.840 -0.101 0.000 0.760 458 L CB -0.387 41.607 42.059 -0.108 0.000 0.910 458 L HN 0.288 nan 8.230 nan 0.000 0.437 459 E N 0.255 120.402 120.200 -0.088 0.000 2.077 459 E HA -0.300 4.050 4.350 -0.001 0.000 0.193 459 E C 2.206 178.739 176.600 -0.111 0.000 0.989 459 E CA 1.263 57.605 56.400 -0.096 0.000 0.800 459 E CB 0.008 29.672 29.700 -0.060 0.000 0.746 459 E HN 0.432 nan 8.360 nan 0.000 0.452 460 Q N 0.045 119.796 119.800 -0.081 0.000 2.050 460 Q HA -0.210 4.129 4.340 -0.001 0.000 0.202 460 Q C 2.089 178.042 176.000 -0.078 0.000 0.980 460 Q CA 1.677 57.439 55.803 -0.068 0.000 0.840 460 Q CB -0.239 28.470 28.738 -0.048 0.000 0.898 460 Q HN 0.352 nan 8.270 nan 0.000 0.424 461 A N 1.070 123.842 122.820 -0.079 0.000 1.902 461 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 461 A C 2.093 179.621 177.584 -0.094 0.000 1.181 461 A CA 1.444 53.437 52.037 -0.074 0.000 0.623 461 A CB -0.506 18.451 19.000 -0.070 0.000 0.818 461 A HN 0.378 nan 8.150 nan 0.000 0.443 462 R N -0.800 119.625 120.500 -0.126 0.000 2.096 462 R HA -0.089 4.250 4.340 -0.001 0.000 0.235 462 R C 2.432 178.591 176.300 -0.235 0.000 1.127 462 R CA 1.564 57.566 56.100 -0.163 0.000 0.968 462 R CB -0.263 29.928 30.300 -0.182 0.000 0.861 462 R HN 0.492 nan 8.270 nan 0.000 0.440 463 R N 0.228 120.558 120.500 -0.283 0.000 2.090 463 R HA -0.059 4.280 4.340 -0.001 0.000 0.228 463 R C 2.072 178.314 176.300 -0.095 0.000 1.110 463 R CA 0.880 56.743 56.100 -0.394 0.000 0.973 463 R CB 0.036 30.125 30.300 -0.351 0.000 0.869 463 R HN 0.172 nan 8.270 nan 0.000 0.440 464 E N 0.824 121.004 120.200 -0.034 0.000 2.072 464 E HA -0.166 4.184 4.350 -0.001 0.000 0.191 464 E C 1.967 178.611 176.600 0.074 0.000 0.985 464 E CA 0.754 57.181 56.400 0.045 0.000 0.801 464 E CB -0.224 29.491 29.700 0.025 0.000 0.750 464 E HN 0.146 nan 8.360 nan 0.000 0.452 465 L N 1.217 122.451 121.223 0.018 0.000 2.056 465 L HA -0.073 4.266 4.340 -0.001 0.000 0.207 465 L C 2.145 179.070 176.870 0.090 0.000 1.078 465 L CA 1.586 56.454 54.840 0.048 0.000 0.749 465 L CB -0.602 41.448 42.059 -0.014 0.000 0.901 465 L HN -0.099 nan 8.230 nan 0.000 0.433 466 S N -0.399 115.319 115.700 0.030 0.000 2.368 466 S HA -0.183 4.287 4.470 -0.001 0.000 0.225 466 S C 1.857 176.610 174.600 0.255 0.000 1.030 466 S CA 1.569 59.819 58.200 0.084 0.000 0.999 466 S CB -0.571 62.575 63.200 -0.089 0.000 0.844 466 S HN 0.447 nan 8.310 nan 0.000 0.459 467 L N 0.589 122.010 121.223 0.330 0.000 2.079 467 L HA -0.026 4.314 4.340 -0.001 0.000 0.210 467 L C 1.879 178.885 176.870 0.227 0.000 1.081 467 L CA 1.566 56.602 54.840 0.327 0.000 0.752 467 L CB -0.553 41.673 42.059 0.278 0.000 0.896 467 L HN 0.291 nan 8.230 nan 0.000 0.433 468 F N -0.416 119.534 119.950 0.000 0.000 2.451 468 F HA -0.128 4.398 4.527 -0.001 0.000 0.299 468 F C 2.176 177.908 175.800 -0.113 0.000 1.101 468 F CA 0.807 58.688 58.000 -0.197 0.000 1.436 468 F CB -0.192 38.724 39.000 -0.141 0.000 1.074 468 F HN 0.233 nan 8.300 nan 0.000 0.553 469 Q N -0.422 119.355 119.800 -0.039 0.000 2.436 469 Q HA -0.140 4.200 4.340 -0.001 0.000 0.209 469 Q C 0.552 176.504 176.000 -0.080 0.000 0.965 469 Q CA 0.458 56.213 55.803 -0.079 0.000 0.910 469 Q CB -1.297 27.463 28.738 0.037 0.000 0.980 469 Q HN 0.494 nan 8.270 nan 0.000 0.491 470 H N 1.987 120.963 119.070 -0.157 0.000 3.058 470 H HA -0.116 4.440 4.556 -0.001 0.000 0.347 470 H C 1.318 176.514 175.328 -0.221 0.000 1.087 470 H CA 0.747 56.703 56.048 -0.153 0.000 1.375 470 H CB 0.561 30.253 29.762 -0.116 0.000 1.312 470 H HN 0.244 nan 8.280 nan 0.000 0.607 471 H N 1.997 120.631 119.070 -0.726 0.000 2.562 471 H HA -0.004 4.552 4.556 -0.001 0.000 0.272 471 H C -0.344 174.586 175.328 -0.663 0.000 1.019 471 H CA 0.737 56.355 56.048 -0.715 0.000 1.160 471 H CB 0.282 29.624 29.762 -0.700 0.000 1.334 471 H HN 0.613 nan 8.280 nan 0.000 0.611 472 D N 0.358 120.090 120.400 -1.113 0.000 2.503 472 D HA 0.125 4.765 4.640 -0.001 0.000 0.218 472 D C 1.577 177.859 176.300 -0.030 0.000 1.183 472 D CA 0.295 54.173 54.000 -0.203 0.000 0.827 472 D CB 0.863 41.801 40.800 0.229 0.000 1.034 472 D HN 0.520 nan 8.370 nan 0.000 0.510 473 G N 1.357 109.916 108.800 -0.403 0.000 2.618 473 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.222 473 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.222 473 G C 1.351 175.635 174.900 -1.026 0.000 1.520 473 G CA -0.208 44.359 45.100 -0.889 0.000 0.930 473 G HN 0.190 nan 8.290 nan 0.000 0.547 474 I N 1.962 121.652 120.570 -1.467 0.000 2.423 474 I HA -0.188 3.982 4.170 -0.001 0.000 0.254 474 I C 2.887 178.909 176.117 -0.158 0.000 1.151 474 I CA 2.075 62.852 61.300 -0.872 0.000 1.421 474 I CB -0.035 37.636 38.000 -0.548 0.000 1.079 474 I HN 0.382 nan 8.210 nan 0.000 0.431 475 T N -1.727 112.788 114.554 -0.065 0.000 3.007 475 T HA 0.029 4.378 4.350 -0.001 0.000 0.270 475 T C 1.548 176.395 174.700 0.245 0.000 1.107 475 T CA 0.626 62.880 62.100 0.258 0.000 1.118 475 T CB -0.505 68.525 68.868 0.270 0.000 0.889 475 T HN 0.640 nan 8.240 nan 0.000 0.506 476 G N 1.433 110.330 108.800 0.162 0.000 2.176 476 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.252 476 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.252 476 G C 0.574 175.545 174.900 0.119 0.000 1.024 476 G CA 0.672 45.886 45.100 0.190 0.000 0.755 476 G HN 1.142 nan 8.290 nan 0.000 0.507 477 T N -3.371 111.248 114.554 0.108 0.000 3.174 477 T HA 0.735 5.085 4.350 -0.001 0.000 0.269 477 T C 0.866 175.759 174.700 0.321 0.000 1.017 477 T CA 1.036 63.135 62.100 -0.001 0.000 0.899 477 T CB 0.973 69.667 68.868 -0.290 0.000 1.077 477 T HN 1.561 nan 8.240 nan 0.000 0.552 478 A N 1.270 124.292 122.820 0.338 0.000 2.281 478 A HA 0.686 5.005 4.320 -0.001 0.000 0.329 478 A C 0.200 177.875 177.584 0.152 0.000 1.122 478 A CA -0.947 51.313 52.037 0.372 0.000 0.850 478 A CB 0.889 20.157 19.000 0.447 0.000 1.207 478 A HN 0.379 nan 8.150 nan 0.000 0.495 479 K N -0.139 120.277 120.400 0.027 0.000 2.276 479 K HA 0.133 4.452 4.320 -0.001 0.000 0.259 479 K C 1.085 177.696 176.600 0.018 0.000 1.001 479 K CA 0.370 56.658 56.287 0.002 0.000 0.927 479 K CB 0.352 32.843 32.500 -0.015 0.000 0.969 479 K HN 0.746 nan 8.250 nan 0.000 0.490 480 T N 1.341 115.935 114.554 0.067 0.000 2.665 480 T HA -0.205 4.144 4.350 -0.001 0.000 0.268 480 T C 1.680 176.420 174.700 0.068 0.000 1.035 480 T CA 1.853 63.997 62.100 0.073 0.000 1.151 480 T CB -0.423 68.494 68.868 0.083 0.000 0.862 480 T HN 0.691 nan 8.240 nan 0.000 0.438 481 H N 0.604 119.670 119.070 -0.006 0.000 2.491 481 H HA 0.087 4.643 4.556 -0.001 0.000 0.290 481 H C 2.022 177.330 175.328 -0.035 0.000 1.050 481 H CA 0.896 56.934 56.048 -0.017 0.000 1.309 481 H CB -0.781 28.966 29.762 -0.026 0.000 1.392 481 H HN 0.277 nan 8.280 nan 0.000 0.554 482 V N 1.156 120.742 119.914 -0.548 0.000 2.407 482 V HA -0.164 3.956 4.120 -0.001 0.000 0.245 482 V C 3.029 178.968 176.094 -0.259 0.000 1.041 482 V CA 1.077 63.086 62.300 -0.485 0.000 1.040 482 V CB -0.418 31.166 31.823 -0.398 0.000 0.671 482 V HN 0.234 nan 8.190 nan 0.000 0.455 483 V N 0.009 119.898 119.914 -0.043 0.000 2.332 483 V HA -0.239 3.880 4.120 -0.001 0.000 0.248 483 V C 2.460 178.546 176.094 -0.014 0.000 1.055 483 V CA 1.957 64.287 62.300 0.049 0.000 1.038 483 V CB -0.518 31.284 31.823 -0.034 0.000 0.651 483 V HN 0.417 nan 8.190 nan 0.000 0.450 484 V N 0.372 120.283 119.914 -0.005 0.000 2.343 484 V HA -0.300 3.820 4.120 -0.001 0.000 0.247 484 V C 2.299 178.415 176.094 0.037 0.000 1.051 484 V CA 2.425 64.751 62.300 0.043 0.000 1.036 484 V CB -0.679 31.179 31.823 0.057 0.000 0.654 484 V HN 0.642 nan 8.190 nan 0.000 0.451 485 D N -1.031 119.347 120.400 -0.036 0.000 2.097 485 D HA -0.201 4.438 4.640 -0.001 0.000 0.195 485 D C 2.001 178.311 176.300 0.018 0.000 0.989 485 D CA 1.485 55.457 54.000 -0.046 0.000 0.827 485 D CB -0.167 40.547 40.800 -0.144 0.000 0.966 485 D HN 0.492 nan 8.370 nan 0.000 0.456 486 Y N 0.987 121.333 120.300 0.076 0.000 2.181 486 Y HA -0.070 4.479 4.550 -0.001 0.000 0.288 486 Y C 2.441 178.331 175.900 -0.017 0.000 1.146 486 Y CA 1.300 59.446 58.100 0.078 0.000 1.164 486 Y CB -0.712 37.869 38.460 0.202 0.000 0.982 486 Y HN 0.143 nan 8.280 nan 0.000 0.515 487 E N 0.067 120.381 120.200 0.189 0.000 2.051 487 E HA -0.255 4.095 4.350 -0.001 0.000 0.192 487 E C 2.014 178.703 176.600 0.148 0.000 0.991 487 E CA 1.391 57.918 56.400 0.213 0.000 0.799 487 E CB -0.046 29.858 29.700 0.340 0.000 0.748 487 E HN 0.574 nan 8.360 nan 0.000 0.449 488 Q N -0.067 119.803 119.800 0.118 0.000 2.084 488 Q HA -0.158 4.181 4.340 -0.001 0.000 0.202 488 Q C 2.326 178.368 176.000 0.070 0.000 0.978 488 Q CA 1.342 57.197 55.803 0.086 0.000 0.844 488 Q CB -0.072 28.706 28.738 0.067 0.000 0.898 488 Q HN 0.190 nan 8.270 nan 0.000 0.426 489 R N 0.101 120.647 120.500 0.076 0.000 2.083 489 R HA -0.089 4.251 4.340 -0.001 0.000 0.237 489 R C 2.273 178.597 176.300 0.039 0.000 1.137 489 R CA 1.537 57.675 56.100 0.063 0.000 0.951 489 R CB -0.188 30.172 30.300 0.100 0.000 0.851 489 R HN 0.297 nan 8.270 nan 0.000 0.434 490 M N -0.054 119.562 119.600 0.026 0.000 2.229 490 M HA -0.166 4.314 4.480 -0.001 0.000 0.264 490 M C 2.312 178.613 176.300 0.002 0.000 1.063 490 M CA 1.341 56.626 55.300 -0.025 0.000 1.114 490 M CB -0.126 32.401 32.600 -0.122 0.000 1.387 490 M HN 0.050 nan 8.290 nan 0.000 0.420 491 Q N 0.939 120.769 119.800 0.049 0.000 2.084 491 Q HA -0.165 4.174 4.340 -0.001 0.000 0.202 491 Q C 1.740 177.756 176.000 0.026 0.000 0.978 491 Q CA 1.610 57.452 55.803 0.065 0.000 0.844 491 Q CB -0.067 28.728 28.738 0.094 0.000 0.898 491 Q HN 0.321 nan 8.270 nan 0.000 0.426 492 E N -0.103 120.108 120.200 0.019 0.000 2.110 492 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 492 E C 1.836 178.426 176.600 -0.017 0.000 0.988 492 E CA 1.171 57.572 56.400 0.001 0.000 0.804 492 E CB -0.484 29.219 29.700 0.005 0.000 0.745 492 E HN 0.467 nan 8.360 nan 0.000 0.458 493 A N 1.151 123.960 122.820 -0.019 0.000 1.902 493 A HA -0.141 4.179 4.320 -0.001 0.000 0.217 493 A C 2.406 179.960 177.584 -0.049 0.000 1.181 493 A CA 1.100 53.115 52.037 -0.036 0.000 0.623 493 A CB -0.731 18.247 19.000 -0.036 0.000 0.818 493 A HN 0.191 nan 8.150 nan 0.000 0.443 494 L N -0.695 120.498 121.223 -0.049 0.000 2.042 494 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 494 L C 2.595 179.399 176.870 -0.110 0.000 1.076 494 L CA 1.778 56.566 54.840 -0.086 0.000 0.749 494 L CB -0.403 41.617 42.059 -0.066 0.000 0.893 494 L HN 0.367 nan 8.230 nan 0.000 0.432 495 K N -0.150 120.208 120.400 -0.070 0.000 2.097 495 K HA -0.129 4.191 4.320 -0.001 0.000 0.205 495 K C 2.249 178.807 176.600 -0.070 0.000 1.050 495 K CA 1.267 57.512 56.287 -0.069 0.000 0.938 495 K CB -0.254 32.220 32.500 -0.044 0.000 0.718 495 K HN 0.286 nan 8.250 nan 0.000 0.442 496 A N 1.165 123.948 122.820 -0.062 0.000 1.902 496 A HA -0.195 4.125 4.320 -0.001 0.000 0.217 496 A C 2.431 179.971 177.584 -0.072 0.000 1.181 496 A CA 1.538 53.537 52.037 -0.064 0.000 0.623 496 A CB -1.014 17.950 19.000 -0.061 0.000 0.818 496 A HN 0.411 nan 8.150 nan 0.000 0.443 497 C N -1.003 118.252 119.300 -0.075 0.000 2.429 497 C HA -0.122 4.338 4.460 -0.001 0.000 0.277 497 C C 2.864 177.815 174.990 -0.064 0.000 1.262 497 C CA 1.252 60.232 59.018 -0.064 0.000 1.733 497 C CB -1.292 26.422 27.740 -0.043 0.000 2.010 497 C HN 0.793 nan 8.230 nan 0.000 0.483 498 Q N 0.276 120.009 119.800 -0.112 0.000 2.061 498 Q HA -0.277 4.063 4.340 -0.001 0.000 0.204 498 Q C 2.182 178.186 176.000 0.007 0.000 0.984 498 Q CA 2.015 57.771 55.803 -0.079 0.000 0.846 498 Q CB -0.280 28.380 28.738 -0.130 0.000 0.902 498 Q HN 0.575 nan 8.270 nan 0.000 0.421 499 M N -0.070 119.516 119.600 -0.024 0.000 2.080 499 M HA -0.147 4.332 4.480 -0.001 0.000 0.260 499 M C 1.870 178.165 176.300 -0.008 0.000 1.068 499 M CA 1.593 56.888 55.300 -0.008 0.000 1.109 499 M CB -0.489 32.089 32.600 -0.036 0.000 1.342 499 M HN 0.142 nan 8.290 nan 0.000 0.405 500 V N 0.129 120.004 119.914 -0.064 0.000 2.358 500 V HA -0.298 3.822 4.120 -0.001 0.000 0.246 500 V C 2.425 178.484 176.094 -0.059 0.000 1.047 500 V CA 2.174 64.392 62.300 -0.138 0.000 1.035 500 V CB -0.693 31.027 31.823 -0.172 0.000 0.658 500 V HN 0.555 nan 8.190 nan 0.000 0.452 501 M N 0.257 119.881 119.600 0.039 0.000 2.086 501 M HA -0.258 4.221 4.480 -0.001 0.000 0.261 501 M C 2.393 178.770 176.300 0.129 0.000 1.067 501 M CA 2.417 57.797 55.300 0.133 0.000 1.116 501 M CB -0.486 32.311 32.600 0.328 0.000 1.348 501 M HN 0.540 nan 8.290 nan 0.000 0.407 502 Q N -0.159 119.787 119.800 0.244 0.000 2.119 502 Q HA -0.138 4.201 4.340 -0.001 0.000 0.201 502 Q C 1.806 177.988 176.000 0.303 0.000 0.972 502 Q CA 1.205 57.172 55.803 0.273 0.000 0.847 502 Q CB -0.631 28.359 28.738 0.420 0.000 0.903 502 Q HN 0.416 nan 8.270 nan 0.000 0.433 503 Q N 0.537 120.497 119.800 0.267 0.000 2.124 503 Q HA -0.058 4.281 4.340 -0.001 0.000 0.202 503 Q C 2.266 178.519 176.000 0.420 0.000 0.977 503 Q CA 1.692 57.725 55.803 0.384 0.000 0.850 503 Q CB -0.197 28.677 28.738 0.226 0.000 0.901 503 Q HN 0.515 nan 8.270 nan 0.000 0.429 504 S N 0.360 116.203 115.700 0.239 0.000 2.368 504 S HA -0.085 4.385 4.470 -0.001 0.000 0.224 504 S C 2.216 176.877 174.600 0.101 0.000 1.029 504 S CA 1.009 59.397 58.200 0.314 0.000 0.988 504 S CB -0.210 63.109 63.200 0.199 0.000 0.838 504 S HN 0.128 nan 8.310 nan 0.000 0.462 505 V N 0.732 120.577 119.914 -0.115 0.000 2.343 505 V HA -0.195 3.924 4.120 -0.001 0.000 0.247 505 V C 2.001 178.089 176.094 -0.009 0.000 1.051 505 V CA 1.819 63.925 62.300 -0.323 0.000 1.036 505 V CB -0.749 30.467 31.823 -1.012 0.000 0.654 505 V HN 0.519 nan 8.190 nan 0.000 0.451 506 Y N 1.080 121.443 120.300 0.105 0.000 2.165 506 Y HA -0.240 4.310 4.550 -0.001 0.000 0.286 506 Y C 2.750 178.722 175.900 0.121 0.000 1.155 506 Y CA 2.185 60.426 58.100 0.235 0.000 1.164 506 Y CB -0.292 38.222 38.460 0.089 0.000 0.978 506 Y HN 0.091 nan 8.280 nan 0.000 0.513 507 R N -0.284 120.184 120.500 -0.053 0.000 2.090 507 R HA -0.087 4.252 4.340 -0.001 0.000 0.228 507 R C 2.099 178.115 176.300 -0.473 0.000 1.110 507 R CA 1.421 57.138 56.100 -0.639 0.000 0.973 507 R CB -0.337 29.551 30.300 -0.687 0.000 0.869 507 R HN 0.419 nan 8.270 nan 0.000 0.440 508 L N 0.275 121.354 121.223 -0.239 0.000 2.291 508 L HA -0.054 4.286 4.340 -0.001 0.000 0.214 508 L C 1.426 178.185 176.870 -0.185 0.000 1.120 508 L CA 0.761 55.424 54.840 -0.296 0.000 0.799 508 L CB 0.137 41.858 42.059 -0.563 0.000 0.925 508 L HN 0.230 nan 8.230 nan 0.000 0.446 509 L N -1.372 119.828 121.223 -0.039 0.000 3.014 509 L HA 0.220 4.559 4.340 -0.001 0.000 0.263 509 L C -0.157 176.764 176.870 0.085 0.000 1.207 509 L CA -0.091 54.810 54.840 0.103 0.000 1.017 509 L CB 0.533 42.807 42.059 0.359 0.000 1.360 509 L HN -0.001 nan 8.230 nan 0.000 0.560 510 T N 0.110 114.629 114.554 -0.059 0.000 2.829 510 T HA 0.189 4.538 4.350 -0.001 0.000 0.280 510 T C -0.139 174.480 174.700 -0.135 0.000 0.999 510 T CA -0.563 61.478 62.100 -0.099 0.000 0.983 510 T CB 2.427 71.171 68.868 -0.206 0.000 0.968 510 T HN 0.007 nan 8.240 nan 0.000 0.446 511 K N 3.614 123.947 120.400 -0.111 0.000 2.504 511 K HA -0.017 4.303 4.320 -0.001 0.000 0.278 511 K C -1.734 174.836 176.600 -0.050 0.000 1.025 511 K CA -1.041 55.197 56.287 -0.081 0.000 1.093 511 K CB 0.423 32.881 32.500 -0.070 0.000 0.873 511 K HN 0.176 nan 8.250 nan 0.000 0.483 512 P HA -0.202 nan 4.420 nan 0.000 0.216 512 P C 0.806 178.126 177.300 0.034 0.000 1.153 512 P CA 1.533 64.617 63.100 -0.027 0.000 0.858 512 P CB 0.154 31.830 31.700 -0.040 0.000 0.789 513 S N -2.219 113.489 115.700 0.013 0.000 2.607 513 S HA 0.044 4.513 4.470 -0.001 0.000 0.224 513 S C 1.676 176.290 174.600 0.024 0.000 0.969 513 S CA 0.536 58.747 58.200 0.018 0.000 0.927 513 S CB -1.092 62.110 63.200 0.003 0.000 0.772 513 S HN 0.106 nan 8.310 nan 0.000 0.533 514 I N -0.835 119.756 120.570 0.034 0.000 3.616 514 I HA 0.201 4.370 4.170 -0.001 0.000 0.296 514 I C 0.581 176.742 176.117 0.073 0.000 1.226 514 I CA -0.383 60.941 61.300 0.039 0.000 1.394 514 I CB -0.080 37.935 38.000 0.025 0.000 1.171 514 I HN 0.256 nan 8.210 nan 0.000 0.442 515 Y N 2.907 123.164 120.300 -0.072 0.000 2.865 515 Y HA -0.070 4.480 4.550 -0.001 0.000 0.338 515 Y C 0.423 176.310 175.900 -0.023 0.000 1.269 515 Y CA 0.105 58.144 58.100 -0.102 0.000 1.585 515 Y CB 0.349 38.707 38.460 -0.170 0.000 1.224 515 Y HN -0.118 nan 8.280 nan 0.000 0.554 516 S N 8.855 124.343 115.700 -0.352 0.000 2.312 516 S HA 0.353 4.822 4.470 -0.001 0.000 0.173 516 S C -2.810 171.573 174.600 -0.362 0.000 1.488 516 S CA -1.206 56.796 58.200 -0.331 0.000 1.239 516 S CB -0.047 63.083 63.200 -0.118 0.000 1.215 516 S HN 0.668 nan 8.310 nan 0.000 0.438 517 P HA 0.335 nan 4.420 nan 0.000 0.275 517 P C -1.195 175.822 177.300 -0.473 0.000 1.227 517 P CA -0.165 62.653 63.100 -0.470 0.000 0.781 517 P CB 0.872 32.224 31.700 -0.580 0.000 0.906 518 D N 2.330 122.643 120.400 -0.144 0.000 2.414 518 D HA 0.158 4.797 4.640 -0.001 0.000 0.232 518 D C 0.189 176.502 176.300 0.021 0.000 1.070 518 D CA -0.709 53.198 54.000 -0.154 0.000 0.839 518 D CB 0.279 41.025 40.800 -0.089 0.000 1.079 518 D HN 0.040 nan 8.370 nan 0.000 0.521 519 F N 1.663 121.716 119.950 0.171 0.000 2.722 519 F HA -0.035 4.491 4.527 -0.001 0.000 0.298 519 F C 2.364 178.227 175.800 0.104 0.000 1.175 519 F CA 0.501 58.600 58.000 0.165 0.000 1.462 519 F CB -0.382 38.699 39.000 0.135 0.000 1.111 519 F HN 0.365 nan 8.300 nan 0.000 0.592 520 S N -1.917 113.911 115.700 0.214 0.000 2.539 520 S HA 0.137 4.607 4.470 -0.001 0.000 0.221 520 S C 0.275 174.908 174.600 0.055 0.000 0.987 520 S CA -0.415 57.854 58.200 0.115 0.000 0.929 520 S CB -0.601 62.648 63.200 0.082 0.000 0.832 520 S HN 0.083 nan 8.310 nan 0.000 0.492 521 F N 2.711 122.582 119.950 -0.132 0.000 2.377 521 F HA 0.623 5.149 4.527 -0.001 0.000 0.328 521 F C 0.006 175.568 175.800 -0.397 0.000 1.094 521 F CA -0.730 57.061 58.000 -0.348 0.000 1.093 521 F CB 1.666 40.300 39.000 -0.610 0.000 1.214 521 F HN -0.054 nan 8.300 nan 0.000 0.518 522 S N 5.405 120.297 115.700 -1.348 0.000 2.466 522 S HA 0.172 4.641 4.470 -0.001 0.000 0.313 522 S C 0.315 174.232 174.600 -1.137 0.000 1.078 522 S CA -0.344 57.318 58.200 -0.897 0.000 1.115 522 S CB -0.177 62.645 63.200 -0.631 0.000 1.006 522 S HN 0.645 nan 8.310 nan 0.000 0.487 523 Y N 1.771 121.775 120.300 -0.493 0.000 2.314 523 Y HA 0.165 4.714 4.550 -0.001 0.000 0.293 523 Y C 0.349 175.668 175.900 -0.969 0.000 1.129 523 Y CA 0.776 58.467 58.100 -0.682 0.000 1.201 523 Y CB 0.125 38.209 38.460 -0.628 0.000 0.999 523 Y HN 0.498 nan 8.280 nan 0.000 0.541 524 F N -1.510 118.377 119.950 -0.105 0.000 2.599 524 F HA 0.477 5.003 4.527 -0.001 0.000 0.311 524 F C -0.096 175.717 175.800 0.021 0.000 1.076 524 F CA -1.526 56.482 58.000 0.013 0.000 0.937 524 F CB 1.594 40.760 39.000 0.277 0.000 1.282 524 F HN -0.404 nan 8.300 nan 0.000 0.460 525 T N -0.064 114.636 114.554 0.243 0.000 2.856 525 T HA 0.731 5.081 4.350 -0.001 0.000 0.283 525 T C -0.672 174.106 174.700 0.129 0.000 1.008 525 T CA -0.831 61.340 62.100 0.119 0.000 0.997 525 T CB 1.278 70.158 68.868 0.020 0.000 0.992 525 T HN 0.514 nan 8.240 nan 0.000 0.454 526 L N 1.877 123.089 121.223 -0.019 0.000 2.417 526 L HA 0.461 4.800 4.340 -0.001 0.000 0.268 526 L C 0.054 176.877 176.870 -0.079 0.000 1.158 526 L CA -0.338 54.400 54.840 -0.171 0.000 0.819 526 L CB 0.738 42.615 42.059 -0.303 0.000 1.112 526 L HN 0.817 nan 8.230 nan 0.000 0.458 527 D N 1.278 121.635 120.400 -0.071 0.000 2.481 527 D HA 0.209 4.849 4.640 -0.001 0.000 0.246 527 D C -1.308 174.926 176.300 -0.110 0.000 1.109 527 D CA -0.406 53.556 54.000 -0.063 0.000 0.845 527 D CB 1.161 41.965 40.800 0.008 0.000 1.160 527 D HN 0.287 nan 8.370 nan 0.000 0.534 528 D N 2.436 122.784 120.400 -0.086 0.000 2.481 528 D HA 0.195 4.834 4.640 -0.001 0.000 0.246 528 D C 0.066 176.313 176.300 -0.089 0.000 1.109 528 D CA -0.466 53.516 54.000 -0.029 0.000 0.845 528 D CB 1.899 42.771 40.800 0.120 0.000 1.160 528 D HN 0.255 nan 8.370 nan 0.000 0.534 529 S N 2.672 118.295 115.700 -0.128 0.000 2.522 529 S HA 0.037 4.506 4.470 -0.001 0.000 0.227 529 S C 1.337 175.894 174.600 -0.072 0.000 0.986 529 S CA 0.456 58.570 58.200 -0.143 0.000 0.929 529 S CB 0.376 63.485 63.200 -0.153 0.000 0.769 529 S HN 0.487 nan 8.310 nan 0.000 0.529 530 R N -0.474 120.017 120.500 -0.015 0.000 2.535 530 R HA 0.221 4.560 4.340 -0.001 0.000 0.323 530 R C -0.701 175.673 176.300 0.124 0.000 0.979 530 R CA -0.105 56.010 56.100 0.025 0.000 1.120 530 R CB 0.796 31.104 30.300 0.014 0.000 1.306 530 R HN 0.343 nan 8.270 nan 0.000 0.540 531 W N 1.316 122.577 121.300 -0.064 0.000 3.405 531 W HA 0.292 4.952 4.660 -0.001 0.000 0.329 531 W C -2.954 173.538 176.519 -0.045 0.000 1.142 531 W CA -1.908 55.400 57.345 -0.063 0.000 1.235 531 W CB 1.815 31.250 29.460 -0.040 0.000 1.341 531 W HN -0.194 nan 8.180 nan 0.000 0.481 532 P HA 0.101 nan 4.420 nan 0.000 0.226 532 P C 0.362 177.273 177.300 -0.649 0.000 1.153 532 P CA 1.735 63.935 63.100 -1.499 0.000 0.777 532 P CB 0.296 31.386 31.700 -1.017 0.000 0.794 533 G N -1.195 107.404 108.800 -0.335 0.000 2.629 533 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.686 533 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.686 533 G C -0.428 174.406 174.900 -0.111 0.000 1.232 533 G CA -0.650 44.351 45.100 -0.165 0.000 0.803 533 G HN 0.020 nan 8.290 nan 0.000 0.638 534 S N 0.239 115.914 115.700 -0.041 0.000 2.544 534 S HA 0.483 4.953 4.470 -0.001 0.000 0.290 534 S C 1.812 176.410 174.600 -0.003 0.000 1.276 534 S CA 2.155 60.366 58.200 0.018 0.000 1.075 534 S CB 0.091 63.340 63.200 0.081 0.000 0.849 534 S HN 2.641 nan 8.310 nan 0.000 0.494 535 G N 2.825 111.626 108.800 0.001 0.000 2.199 535 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.254 535 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.254 535 G C 0.621 175.496 174.900 -0.042 0.000 0.982 535 G CA 0.338 45.430 45.100 -0.013 0.000 0.632 535 G HN 0.749 nan 8.290 nan 0.000 0.529 536 V N -0.581 119.288 119.914 -0.074 0.000 2.627 536 V HA 0.375 4.494 4.120 -0.001 0.000 0.239 536 V C 0.777 176.808 176.094 -0.105 0.000 1.077 536 V CA 1.591 63.830 62.300 -0.102 0.000 1.103 536 V CB 0.446 32.168 31.823 -0.167 0.000 0.802 536 V HN 0.351 nan 8.190 nan 0.000 0.482 537 E N 0.318 120.447 120.200 -0.120 0.000 2.321 537 E HA 0.262 4.612 4.350 -0.001 0.000 0.278 537 E C -1.627 174.934 176.600 -0.064 0.000 0.902 537 E CA -0.448 55.894 56.400 -0.096 0.000 0.758 537 E CB 2.145 31.763 29.700 -0.136 0.000 1.213 537 E HN 0.116 nan 8.360 nan 0.000 0.426 538 D N 1.749 122.134 120.400 -0.025 0.000 2.453 538 D HA 0.091 4.731 4.640 -0.001 0.000 0.223 538 D C 0.501 176.795 176.300 -0.009 0.000 1.183 538 D CA 0.094 54.099 54.000 0.009 0.000 0.933 538 D CB 0.393 41.212 40.800 0.030 0.000 1.038 538 D HN 0.354 nan 8.370 nan 0.000 0.513 539 S N 2.706 118.385 115.700 -0.034 0.000 2.549 539 S HA 0.191 4.660 4.470 -0.001 0.000 0.225 539 S C 0.911 175.486 174.600 -0.043 0.000 1.039 539 S CA -0.455 57.718 58.200 -0.045 0.000 0.942 539 S CB 0.544 63.699 63.200 -0.076 0.000 0.881 539 S HN 0.243 nan 8.310 nan 0.000 0.503 540 R N 2.992 123.457 120.500 -0.058 0.000 2.438 540 R HA 0.361 4.701 4.340 -0.001 0.000 0.287 540 R C 0.154 176.454 176.300 0.000 0.000 1.077 540 R CA 0.283 56.324 56.100 -0.099 0.000 1.034 540 R CB 0.685 30.784 30.300 -0.335 0.000 0.993 540 R HN 0.489 nan 8.270 nan 0.000 0.459 541 T N -0.537 114.027 114.554 0.017 0.000 2.909 541 T HA 0.194 4.543 4.350 -0.001 0.000 0.289 541 T C 0.275 175.066 174.700 0.151 0.000 1.005 541 T CA -0.675 61.470 62.100 0.076 0.000 1.084 541 T CB 1.459 70.363 68.868 0.060 0.000 0.975 541 T HN 0.336 nan 8.240 nan 0.000 0.509 542 T N 3.665 118.325 114.554 0.176 0.000 2.806 542 T HA 0.404 4.754 4.350 -0.001 0.000 0.290 542 T C 0.427 175.232 174.700 0.175 0.000 0.966 542 T CA -0.522 61.712 62.100 0.223 0.000 1.060 542 T CB 0.249 69.218 68.868 0.167 0.000 0.927 542 T HN 0.581 nan 8.240 nan 0.000 0.485 543 I N 4.102 124.795 120.570 0.206 0.000 2.436 543 I HA 0.205 4.375 4.170 -0.001 0.000 0.289 543 I C 0.154 176.358 176.117 0.145 0.000 1.083 543 I CA -0.061 61.339 61.300 0.168 0.000 1.372 543 I CB 0.285 38.389 38.000 0.174 0.000 1.408 543 I HN 0.450 nan 8.210 nan 0.000 0.516 544 I N 8.127 128.767 120.570 0.117 0.000 2.297 544 I HA 0.314 4.484 4.170 -0.001 0.000 0.291 544 I C -0.184 175.995 176.117 0.102 0.000 1.033 544 I CA -0.192 61.169 61.300 0.102 0.000 1.253 544 I CB 0.460 38.507 38.000 0.079 0.000 1.396 544 I HN 0.384 nan 8.210 nan 0.000 0.476 545 L N 5.742 127.030 121.223 0.108 0.000 2.319 545 L HA 0.961 5.301 4.340 -0.001 0.000 0.267 545 L C 0.151 177.079 176.870 0.097 0.000 1.011 545 L CA -0.694 54.209 54.840 0.106 0.000 0.818 545 L CB 2.201 44.329 42.059 0.116 0.000 1.316 545 L HN 0.692 nan 8.230 nan 0.000 0.432 546 G N -0.048 108.806 108.800 0.090 0.000 2.473 546 G HA2 0.114 4.073 3.960 -0.001 0.000 0.298 546 G HA3 0.114 4.073 3.960 -0.001 0.000 0.298 546 G C -0.232 174.712 174.900 0.073 0.000 1.575 546 G CA -0.458 44.692 45.100 0.082 0.000 0.846 546 G HN 0.693 nan 8.290 nan 0.000 0.585 547 E N -0.141 120.100 120.200 0.068 0.000 2.160 547 E HA -0.140 4.209 4.350 -0.001 0.000 0.195 547 E C 0.674 177.304 176.600 0.049 0.000 0.991 547 E CA 1.442 57.876 56.400 0.057 0.000 0.810 547 E CB 0.162 29.893 29.700 0.050 0.000 0.742 547 E HN 0.425 nan 8.360 nan 0.000 0.466 548 D N -0.329 120.099 120.400 0.048 0.000 2.388 548 D HA 0.123 4.762 4.640 -0.001 0.000 0.221 548 D C 1.053 177.380 176.300 0.044 0.000 1.133 548 D CA 0.125 54.150 54.000 0.042 0.000 0.831 548 D CB 0.899 41.721 40.800 0.037 0.000 0.962 548 D HN 0.329 nan 8.370 nan 0.000 0.502 549 I N -0.934 119.667 120.570 0.052 0.000 4.505 549 I HA 0.115 4.284 4.170 -0.001 0.000 0.294 549 I C -1.431 174.723 176.117 0.063 0.000 1.144 549 I CA 0.057 61.389 61.300 0.053 0.000 1.325 549 I CB 1.236 39.267 38.000 0.053 0.000 1.663 549 I HN -0.165 nan 8.210 nan 0.000 0.454 550 L N 2.093 123.360 121.223 0.072 0.000 2.795 550 L HA 0.466 4.805 4.340 -0.001 0.000 0.260 550 L C -2.547 174.377 176.870 0.091 0.000 0.935 550 L CA -0.814 54.078 54.840 0.086 0.000 0.985 550 L CB 1.779 43.896 42.059 0.096 0.000 1.433 550 L HN -0.161 nan 8.230 nan 0.000 0.447 551 P HA 0.084 nan 4.420 nan 0.000 0.227 551 P C -0.190 177.170 177.300 0.100 0.000 1.161 551 P CA 0.731 63.883 63.100 0.088 0.000 0.788 551 P CB 0.499 32.244 31.700 0.075 0.000 0.822 552 S N -1.927 113.845 115.700 0.119 0.000 2.625 552 S HA 0.719 5.188 4.470 -0.001 0.000 0.271 552 S C -1.312 173.400 174.600 0.187 0.000 1.161 552 S CA -0.713 57.567 58.200 0.133 0.000 0.820 552 S CB 2.489 65.760 63.200 0.119 0.000 1.137 552 S HN -0.112 nan 8.310 nan 0.000 0.470 553 K N 0.568 121.088 120.400 0.199 0.000 2.535 553 K HA 0.573 4.892 4.320 -0.001 0.000 0.251 553 K C -2.033 174.755 176.600 0.313 0.000 0.942 553 K CA -0.241 56.212 56.287 0.277 0.000 0.798 553 K CB 0.934 33.551 32.500 0.195 0.000 1.267 553 K HN 0.846 nan 8.250 nan 0.000 0.434 554 H N 0.864 120.094 119.070 0.265 0.000 2.610 554 H HA 0.467 5.023 4.556 -0.001 0.000 0.336 554 H C -0.218 175.351 175.328 0.402 0.000 1.087 554 H CA -0.212 56.041 56.048 0.341 0.000 1.405 554 H CB 1.061 31.116 29.762 0.488 0.000 1.460 554 H HN 0.393 nan 8.280 nan 0.000 0.538 555 V N 0.876 121.057 119.914 0.445 0.000 2.914 555 V HA 0.786 4.905 4.120 -0.001 0.000 0.314 555 V C -0.734 175.701 176.094 0.568 0.000 1.084 555 V CA -0.865 61.686 62.300 0.419 0.000 0.963 555 V CB 2.079 33.886 31.823 -0.028 0.000 1.025 555 V HN 0.464 nan 8.190 nan 0.000 0.432 556 V N 4.005 124.277 119.914 0.596 0.000 2.709 556 V HA 0.631 4.750 4.120 -0.001 0.000 0.308 556 V C -0.475 175.979 176.094 0.600 0.000 1.062 556 V CA -0.380 62.234 62.300 0.523 0.000 0.901 556 V CB 1.868 33.847 31.823 0.260 0.000 1.003 556 V HN 0.945 nan 8.190 nan 0.000 0.425 557 M N 4.089 124.014 119.600 0.541 0.000 2.336 557 M HA 0.489 4.968 4.480 -0.001 0.000 0.342 557 M C -0.495 176.084 176.300 0.465 0.000 1.128 557 M CA -0.258 55.337 55.300 0.493 0.000 1.016 557 M CB 1.165 33.997 32.600 0.387 0.000 1.665 557 M HN 0.756 nan 8.290 nan 0.000 0.445 558 H N 2.045 121.348 119.070 0.387 0.000 2.469 558 H HA 0.480 5.036 4.556 -0.001 0.000 0.342 558 H C -1.354 174.113 175.328 0.231 0.000 1.115 558 H CA -0.582 55.657 56.048 0.319 0.000 1.204 558 H CB 1.181 31.204 29.762 0.434 0.000 1.492 558 H HN 0.650 nan 8.280 nan 0.000 0.499 559 N N 3.092 121.574 118.700 -0.363 0.000 2.518 559 N HA 0.040 4.779 4.740 -0.001 0.000 0.254 559 N C 0.313 175.489 175.510 -0.557 0.000 0.979 559 N CA -0.302 52.533 53.050 -0.358 0.000 0.930 559 N CB 1.627 40.007 38.487 -0.177 0.000 1.152 559 N HN 0.640 nan 8.380 nan 0.000 0.505 560 T N 2.945 117.224 114.554 -0.459 0.000 3.055 560 T HA 0.177 4.527 4.350 -0.001 0.000 0.265 560 T C 0.695 175.353 174.700 -0.070 0.000 1.111 560 T CA 0.433 62.426 62.100 -0.179 0.000 1.118 560 T CB -0.234 68.668 68.868 0.055 0.000 0.909 560 T HN 0.419 nan 8.240 nan 0.000 0.501 561 L N 2.865 123.995 121.223 -0.155 0.000 2.417 561 L HA 0.302 4.642 4.340 -0.001 0.000 0.268 561 L C -1.584 175.140 176.870 -0.243 0.000 1.158 561 L CA -1.848 52.866 54.840 -0.211 0.000 0.819 561 L CB 0.580 42.385 42.059 -0.423 0.000 1.112 561 L HN -0.030 nan 8.230 nan 0.000 0.458 562 P HA 0.046 nan 4.420 nan 0.000 0.235 562 P C -0.953 176.357 177.300 0.016 0.000 1.725 562 P CA 0.331 63.414 63.100 -0.027 0.000 0.894 562 P CB -0.352 31.389 31.700 0.069 0.000 1.704 563 H N -3.207 115.872 119.070 0.016 0.000 3.012 563 H HA 0.238 4.794 4.556 -0.001 0.000 0.367 563 H C -1.042 174.301 175.328 0.025 0.000 1.211 563 H CA -1.075 55.000 56.048 0.044 0.000 1.139 563 H CB -0.019 29.793 29.762 0.084 0.000 1.838 563 H HN -0.127 nan 8.280 nan 0.000 0.550 564 W N 1.756 123.158 121.300 0.169 0.000 2.257 564 W HA 0.218 4.877 4.660 -0.001 0.000 0.337 564 W C 0.894 177.516 176.519 0.171 0.000 1.321 564 W CA 0.477 57.891 57.345 0.114 0.000 1.267 564 W CB 0.445 29.958 29.460 0.088 0.000 1.187 564 W HN 0.520 nan 8.180 nan 0.000 0.565 565 R N 2.312 123.011 120.500 0.332 0.000 2.604 565 R HA 0.299 4.638 4.340 -0.001 0.000 0.281 565 R C -1.080 175.353 176.300 0.221 0.000 1.020 565 R CA -0.669 55.583 56.100 0.253 0.000 0.899 565 R CB 1.422 31.796 30.300 0.123 0.000 1.205 565 R HN 0.499 nan 8.270 nan 0.000 0.450 566 E N 2.365 122.673 120.200 0.181 0.000 2.191 566 E HA 0.265 4.615 4.350 -0.001 0.000 0.274 566 E C -1.246 175.401 176.600 0.079 0.000 0.948 566 E CA -0.782 55.702 56.400 0.139 0.000 0.802 566 E CB 2.370 32.146 29.700 0.126 0.000 1.137 566 E HN 0.400 nan 8.360 nan 0.000 0.397 567 Q N 2.835 122.659 119.800 0.040 0.000 2.386 567 Q HA 0.249 4.588 4.340 -0.001 0.000 0.274 567 Q C -1.545 174.415 176.000 -0.066 0.000 1.011 567 Q CA -0.590 55.207 55.803 -0.009 0.000 0.867 567 Q CB 1.417 30.140 28.738 -0.026 0.000 1.409 567 Q HN 0.546 nan 8.270 nan 0.000 0.395 568 L N 3.242 124.420 121.223 -0.074 0.000 2.416 568 L HA 0.368 4.708 4.340 -0.001 0.000 0.272 568 L C 0.213 176.950 176.870 -0.221 0.000 1.161 568 L CA -0.357 54.401 54.840 -0.135 0.000 0.845 568 L CB 0.617 42.632 42.059 -0.073 0.000 1.119 568 L HN 0.476 nan 8.230 nan 0.000 0.464 569 V N -0.483 119.196 119.914 -0.391 0.000 2.823 569 V HA 0.698 4.817 4.120 -0.001 0.000 0.312 569 V C -0.927 174.899 176.094 -0.447 0.000 1.072 569 V CA -0.851 61.176 62.300 -0.455 0.000 0.937 569 V CB 2.165 33.667 31.823 -0.535 0.000 1.013 569 V HN 0.798 nan 8.190 nan 0.000 0.430 570 D N 1.732 121.871 120.400 -0.435 0.000 2.671 570 D HA 0.633 5.273 4.640 -0.001 0.000 0.232 570 D C -1.382 174.633 176.300 -0.475 0.000 1.114 570 D CA -0.401 53.453 54.000 -0.243 0.000 0.858 570 D CB 2.429 43.184 40.800 -0.075 0.000 1.544 570 D HN 0.446 nan 8.370 nan 0.000 0.471 571 F N -0.063 119.958 119.950 0.119 0.000 2.599 571 F HA 0.340 4.867 4.527 -0.001 0.000 0.311 571 F C -0.532 175.440 175.800 0.286 0.000 1.076 571 F CA -1.046 57.038 58.000 0.141 0.000 0.937 571 F CB 1.575 40.695 39.000 0.200 0.000 1.282 571 F HN 0.160 nan 8.300 nan 0.000 0.460 572 Y N 2.143 122.599 120.300 0.259 0.000 2.304 572 Y HA 0.569 5.119 4.550 -0.001 0.000 0.328 572 Y C 0.192 176.212 175.900 0.201 0.000 1.123 572 Y CA -1.454 56.748 58.100 0.170 0.000 1.218 572 Y CB 1.003 39.517 38.460 0.090 0.000 1.207 572 Y HN 0.350 nan 8.280 nan 0.000 0.495 573 V N -0.390 119.718 119.914 0.323 0.000 3.078 573 V HA 0.567 4.686 4.120 -0.001 0.000 0.311 573 V C 0.287 176.511 176.094 0.217 0.000 1.138 573 V CA -0.812 61.641 62.300 0.256 0.000 1.007 573 V CB 1.706 33.681 31.823 0.253 0.000 1.045 573 V HN 0.656 nan 8.190 nan 0.000 0.432 574 S N 0.126 115.937 115.700 0.184 0.000 2.631 574 S HA 0.320 4.789 4.470 -0.001 0.000 0.217 574 S C 0.579 175.314 174.600 0.225 0.000 0.958 574 S CA 0.426 58.725 58.200 0.164 0.000 0.920 574 S CB -0.327 62.941 63.200 0.113 0.000 0.776 574 S HN 1.520 nan 8.310 nan 0.000 0.517 575 S N 1.205 117.044 115.700 0.232 0.000 2.541 575 S HA 0.573 5.043 4.470 -0.001 0.000 0.271 575 S C -2.656 171.862 174.600 -0.137 0.000 1.133 575 S CA -1.266 56.963 58.200 0.049 0.000 0.876 575 S CB 1.941 65.168 63.200 0.045 0.000 1.105 575 S HN 0.023 nan 8.310 nan 0.000 0.470 576 P HA 0.211 nan 4.420 nan 0.000 0.240 576 P C -0.216 176.937 177.300 -0.246 0.000 1.190 576 P CA 0.268 62.995 63.100 -0.621 0.000 0.781 576 P CB -0.134 30.898 31.700 -1.113 0.000 0.931 577 F N 0.960 120.928 119.950 0.029 0.000 2.467 577 F HA 0.275 4.801 4.527 -0.001 0.000 0.349 577 F C 0.491 176.339 175.800 0.079 0.000 1.182 577 F CA -1.124 56.921 58.000 0.075 0.000 1.279 577 F CB -0.064 38.946 39.000 0.017 0.000 1.626 577 F HN -0.327 nan 8.300 nan 0.000 0.596 578 V N 0.810 120.860 119.914 0.227 0.000 2.789 578 V HA 0.663 4.782 4.120 -0.001 0.000 0.311 578 V C -0.348 175.817 176.094 0.118 0.000 1.073 578 V CA -0.765 61.628 62.300 0.154 0.000 0.921 578 V CB 2.370 34.277 31.823 0.139 0.000 1.009 578 V HN 0.487 nan 8.190 nan 0.000 0.426 579 S N 2.280 118.030 115.700 0.084 0.000 2.599 579 S HA 0.846 5.315 4.470 -0.001 0.000 0.294 579 S C -0.812 173.778 174.600 -0.017 0.000 1.094 579 S CA -0.834 57.396 58.200 0.051 0.000 0.931 579 S CB 2.214 65.460 63.200 0.076 0.000 1.093 579 S HN 0.442 nan 8.310 nan 0.000 0.488 580 V N 1.931 121.796 119.914 -0.080 0.000 2.628 580 V HA 0.814 4.934 4.120 -0.001 0.000 0.306 580 V C 0.030 176.041 176.094 -0.139 0.000 1.045 580 V CA -0.552 61.623 62.300 -0.208 0.000 0.905 580 V CB 1.632 33.140 31.823 -0.526 0.000 0.997 580 V HN 1.145 nan 8.190 nan 0.000 0.436 581 T N -0.489 114.002 114.554 -0.105 0.000 2.896 581 T HA 0.648 4.997 4.350 -0.001 0.000 0.297 581 T C -0.907 173.778 174.700 -0.025 0.000 1.108 581 T CA -0.911 61.151 62.100 -0.064 0.000 1.004 581 T CB 2.099 70.921 68.868 -0.077 0.000 1.159 581 T HN 0.713 nan 8.240 nan 0.000 0.499 582 D N 0.621 120.978 120.400 -0.072 0.000 2.466 582 D HA 0.246 4.886 4.640 -0.001 0.000 0.262 582 D C 1.007 177.170 176.300 -0.228 0.000 1.177 582 D CA -1.186 52.656 54.000 -0.263 0.000 1.035 582 D CB 0.341 40.989 40.800 -0.253 0.000 1.105 582 D HN 0.308 nan 8.370 nan 0.000 0.551 583 L N -0.355 120.714 121.223 -0.256 0.000 2.551 583 L HA 0.187 4.527 4.340 -0.001 0.000 0.228 583 L C 1.954 178.746 176.870 -0.130 0.000 1.153 583 L CA 0.994 55.724 54.840 -0.183 0.000 0.851 583 L CB -0.951 41.005 42.059 -0.170 0.000 0.959 583 L HN 0.650 nan 8.230 nan 0.000 0.451 584 A N -1.320 121.429 122.820 -0.118 0.000 2.278 584 A HA 0.068 4.388 4.320 -0.001 0.000 0.212 584 A C 1.108 178.646 177.584 -0.076 0.000 1.213 584 A CA 0.204 52.190 52.037 -0.085 0.000 0.840 584 A CB -0.466 18.490 19.000 -0.073 0.000 0.866 584 A HN 0.512 nan 8.150 nan 0.000 0.489 585 N N -0.041 118.607 118.700 -0.087 0.000 2.782 585 N HA -0.125 4.614 4.740 -0.001 0.000 0.251 585 N C -1.084 174.384 175.510 -0.070 0.000 1.101 585 N CA 0.641 53.647 53.050 -0.073 0.000 0.764 585 N CB -1.333 37.121 38.487 -0.054 0.000 1.122 585 N HN 0.604 nan 8.380 nan 0.000 0.561 586 N N 1.671 120.326 118.700 -0.076 0.000 2.488 586 N HA 0.265 5.004 4.740 -0.001 0.000 0.274 586 N C -2.291 173.155 175.510 -0.107 0.000 1.111 586 N CA -0.689 52.313 53.050 -0.081 0.000 0.974 586 N CB 0.743 39.193 38.487 -0.063 0.000 1.089 586 N HN 0.196 nan 8.380 nan 0.000 0.465 587 P HA 0.083 nan 4.420 nan 0.000 0.271 587 P C -0.481 176.690 177.300 -0.215 0.000 1.218 587 P CA -0.140 62.790 63.100 -0.283 0.000 0.780 587 P CB 0.901 32.176 31.700 -0.707 0.000 0.901 588 V N 2.265 122.098 119.914 -0.135 0.000 2.487 588 V HA 0.216 4.335 4.120 -0.001 0.000 0.298 588 V C 0.516 176.607 176.094 -0.005 0.000 1.028 588 V CA -0.833 61.446 62.300 -0.036 0.000 0.860 588 V CB 1.484 33.302 31.823 -0.008 0.000 0.991 588 V HN 0.577 nan 8.190 nan 0.000 0.427 589 E N 2.850 123.085 120.200 0.059 0.000 2.414 589 E HA 0.484 4.833 4.350 -0.001 0.000 0.263 589 E C -0.249 176.422 176.600 0.119 0.000 1.000 589 E CA 0.096 56.561 56.400 0.109 0.000 0.914 589 E CB 0.941 30.708 29.700 0.112 0.000 0.948 589 E HN 0.885 nan 8.360 nan 0.000 0.444 590 A N 4.162 127.042 122.820 0.100 0.000 2.566 590 A HA 0.415 4.735 4.320 -0.001 0.000 0.292 590 A C -1.340 176.266 177.584 0.038 0.000 1.112 590 A CA -0.707 51.400 52.037 0.116 0.000 0.707 590 A CB 1.965 21.028 19.000 0.105 0.000 1.302 590 A HN 0.657 nan 8.150 nan 0.000 0.409 591 Q N 0.799 120.628 119.800 0.048 0.000 2.356 591 Q HA 0.658 4.997 4.340 -0.001 0.000 0.270 591 Q C -1.997 174.000 176.000 -0.004 0.000 1.058 591 Q CA -0.556 55.233 55.803 -0.022 0.000 0.802 591 Q CB 2.176 30.938 28.738 0.040 0.000 1.303 591 Q HN 0.582 nan 8.270 nan 0.000 0.444 592 V N 2.626 122.471 119.914 -0.115 0.000 2.513 592 V HA 0.587 4.707 4.120 -0.001 0.000 0.299 592 V C -0.557 175.713 176.094 0.294 0.000 1.035 592 V CA -0.302 62.041 62.300 0.072 0.000 0.889 592 V CB 1.844 33.675 31.823 0.013 0.000 0.988 592 V HN 0.858 nan 8.190 nan 0.000 0.440 593 S N 5.060 120.960 115.700 0.334 0.000 2.632 593 S HA 0.698 5.167 4.470 -0.001 0.000 0.289 593 S C -2.784 171.870 174.600 0.090 0.000 1.115 593 S CA -1.165 57.212 58.200 0.294 0.000 0.889 593 S CB 2.461 65.784 63.200 0.206 0.000 1.116 593 S HN 0.529 nan 8.310 nan 0.000 0.486 594 P HA 0.305 nan 4.420 nan 0.000 0.274 594 P C -1.185 175.778 177.300 -0.561 0.000 1.256 594 P CA -0.547 62.165 63.100 -0.646 0.000 0.795 594 P CB 0.407 31.321 31.700 -1.311 0.000 1.038 595 V N 1.461 120.966 119.914 -0.682 0.000 2.348 595 V HA 0.206 4.326 4.120 -0.001 0.000 0.270 595 V C -0.623 175.163 176.094 -0.513 0.000 1.037 595 V CA -0.183 61.803 62.300 -0.523 0.000 0.872 595 V CB -0.314 31.108 31.823 -0.668 0.000 1.002 595 V HN 0.514 nan 8.190 nan 0.000 0.464 596 W N 2.933 124.140 121.300 -0.155 0.000 2.478 596 W HA 0.609 5.268 4.660 -0.001 0.000 0.318 596 W C 0.253 176.686 176.519 -0.142 0.000 1.062 596 W CA -0.410 56.829 57.345 -0.178 0.000 1.210 596 W CB 1.761 31.123 29.460 -0.163 0.000 1.325 596 W HN 0.379 nan 8.180 nan 0.000 0.496 597 S N 2.344 118.071 115.700 0.044 0.000 2.552 597 S HA 0.315 4.784 4.470 -0.001 0.000 0.314 597 S C -1.307 173.030 174.600 -0.438 0.000 1.099 597 S CA -0.773 57.368 58.200 -0.099 0.000 1.070 597 S CB 0.552 63.718 63.200 -0.058 0.000 0.998 597 S HN 0.327 nan 8.310 nan 0.000 0.474 598 W N 2.133 123.182 121.300 -0.417 0.000 2.316 598 W HA 0.470 5.129 4.660 -0.001 0.000 0.321 598 W C 0.471 176.576 176.519 -0.691 0.000 1.203 598 W CA -0.071 57.017 57.345 -0.428 0.000 1.214 598 W CB 0.449 29.786 29.460 -0.206 0.000 1.169 598 W HN 0.652 nan 8.180 nan 0.000 0.561 599 H N 0.073 119.171 119.070 0.046 0.000 2.679 599 H HA 0.169 4.724 4.556 -0.001 0.000 0.360 599 H C -1.034 174.295 175.328 0.002 0.000 1.105 599 H CA -1.112 54.915 56.048 -0.035 0.000 1.196 599 H CB 1.551 31.199 29.762 -0.190 0.000 1.636 599 H HN 0.343 nan 8.280 nan 0.000 0.531 600 H N 1.974 121.111 119.070 0.111 0.000 2.761 600 H HA 0.096 4.652 4.556 -0.001 0.000 0.284 600 H C -0.687 174.696 175.328 0.091 0.000 1.105 600 H CA -0.703 55.400 56.048 0.091 0.000 1.352 600 H CB 0.311 30.113 29.762 0.066 0.000 1.423 600 H HN 0.523 nan 8.280 nan 0.000 0.464 601 D N 3.732 123.939 120.400 -0.321 0.000 2.352 601 D HA -0.032 4.608 4.640 -0.001 0.000 0.245 601 D C 0.961 177.011 176.300 -0.415 0.000 1.224 601 D CA 0.162 54.039 54.000 -0.204 0.000 0.879 601 D CB 0.710 41.592 40.800 0.136 0.000 1.057 601 D HN 0.788 nan 8.370 nan 0.000 0.491 602 T N 1.340 115.701 114.554 -0.321 0.000 3.072 602 T HA -0.069 4.280 4.350 -0.001 0.000 0.266 602 T C 1.758 176.410 174.700 -0.079 0.000 1.127 602 T CA 0.122 62.104 62.100 -0.197 0.000 1.107 602 T CB 0.206 69.039 68.868 -0.058 0.000 0.910 602 T HN 0.243 nan 8.240 nan 0.000 0.513 603 L N 2.219 123.404 121.223 -0.064 0.000 2.130 603 L HA 0.122 4.461 4.340 -0.001 0.000 0.200 603 L C 2.980 179.839 176.870 -0.018 0.000 1.075 603 L CA 2.137 56.961 54.840 -0.027 0.000 0.768 603 L CB -1.756 40.292 42.059 -0.019 0.000 0.933 603 L HN 0.541 nan 8.230 nan 0.000 0.451 604 T N -3.761 110.784 114.554 -0.015 0.000 3.113 604 T HA -0.012 4.337 4.350 -0.001 0.000 0.256 604 T C 0.727 175.436 174.700 0.014 0.000 1.131 604 T CA -0.145 61.953 62.100 -0.005 0.000 1.074 604 T CB 0.052 68.910 68.868 -0.016 0.000 0.944 604 T HN 0.121 nan 8.240 nan 0.000 0.516 605 K N 1.999 122.399 120.400 0.000 0.000 3.125 605 K HA -0.124 4.195 4.320 -0.001 0.000 0.268 605 K C 0.101 176.778 176.600 0.128 0.000 1.078 605 K CA 1.248 57.575 56.287 0.066 0.000 0.775 605 K CB -2.895 29.657 32.500 0.085 0.000 1.253 605 K HN 0.882 nan 8.250 nan 0.000 0.486 606 T N -2.852 111.778 114.554 0.126 0.000 2.883 606 T HA 0.814 5.164 4.350 -0.001 0.000 0.296 606 T C 0.163 175.054 174.700 0.318 0.000 1.117 606 T CA -1.056 61.172 62.100 0.213 0.000 1.006 606 T CB 2.322 71.292 68.868 0.170 0.000 1.191 606 T HN 0.139 nan 8.240 nan 0.000 0.508 607 I N 2.854 123.634 120.570 0.350 0.000 2.382 607 I HA 0.541 4.711 4.170 -0.001 0.000 0.286 607 I C -0.401 176.004 176.117 0.479 0.000 1.002 607 I CA -0.699 60.827 61.300 0.377 0.000 1.135 607 I CB 0.872 39.056 38.000 0.306 0.000 1.288 607 I HN 0.962 nan 8.210 nan 0.000 0.448 608 H N 5.932 125.166 119.070 0.273 0.000 3.008 608 H HA 0.668 5.223 4.556 -0.001 0.000 0.354 608 H C -3.194 171.922 175.328 -0.353 0.000 1.252 608 H CA -2.281 53.763 56.048 -0.006 0.000 1.117 608 H CB 1.922 31.674 29.762 -0.016 0.000 1.857 608 H HN 0.143 nan 8.280 nan 0.000 0.547 609 P HA 0.217 nan 4.420 nan 0.000 0.290 609 P C -1.066 176.146 177.300 -0.146 0.000 1.275 609 P CA -0.672 61.897 63.100 -0.885 0.000 0.841 609 P CB 1.919 32.718 31.700 -1.503 0.000 1.042 610 Q N 0.879 120.704 119.800 0.041 0.000 2.353 610 Q HA 0.579 4.918 4.340 -0.001 0.000 0.268 610 Q C 0.142 176.241 176.000 0.166 0.000 1.045 610 Q CA -0.560 55.363 55.803 0.199 0.000 0.811 610 Q CB 2.858 31.719 28.738 0.205 0.000 1.305 610 Q HN 0.597 nan 8.270 nan 0.000 0.447 611 G N 0.587 109.371 108.800 -0.028 0.000 2.389 611 G HA2 0.370 4.330 3.960 -0.001 0.000 0.328 611 G HA3 0.370 4.330 3.960 -0.001 0.000 0.328 611 G C -0.471 174.188 174.900 -0.402 0.000 1.133 611 G CA -0.323 44.440 45.100 -0.561 0.000 0.891 611 G HN 0.418 nan 8.290 nan 0.000 0.485 612 S N -0.882 114.515 115.700 -0.505 0.000 2.584 612 S HA 0.389 4.858 4.470 -0.001 0.000 0.273 612 S C 1.480 175.824 174.600 -0.426 0.000 1.311 612 S CA 0.198 58.144 58.200 -0.422 0.000 1.034 612 S CB 0.879 63.770 63.200 -0.516 0.000 0.939 612 S HN 0.905 nan 8.310 nan 0.000 0.513 613 T N -0.412 113.978 114.554 -0.275 0.000 3.092 613 T HA 0.178 4.528 4.350 -0.001 0.000 0.258 613 T C 0.970 175.600 174.700 -0.117 0.000 1.031 613 T CA 0.425 62.437 62.100 -0.147 0.000 0.925 613 T CB -0.189 68.643 68.868 -0.060 0.000 1.036 613 T HN 0.693 nan 8.240 nan 0.000 0.544 614 T N -2.060 112.324 114.554 -0.283 0.000 3.080 614 T HA 0.395 4.744 4.350 -0.001 0.000 0.280 614 T C 0.102 174.604 174.700 -0.330 0.000 0.926 614 T CA -0.537 61.457 62.100 -0.177 0.000 0.883 614 T CB 0.290 69.101 68.868 -0.094 0.000 1.194 614 T HN 0.265 nan 8.240 nan 0.000 0.541 615 K N 0.643 120.606 120.400 -0.729 0.000 2.375 615 K HA 0.682 5.002 4.320 -0.001 0.000 0.249 615 K C -1.911 173.977 176.600 -1.187 0.000 0.942 615 K CA -0.796 55.098 56.287 -0.656 0.000 0.806 615 K CB 2.288 34.484 32.500 -0.506 0.000 1.227 615 K HN 0.120 nan 8.250 nan 0.000 0.430 616 Y N -0.078 120.123 120.300 -0.165 0.000 2.588 616 Y HA 0.416 4.965 4.550 -0.001 0.000 0.343 616 Y C -0.299 175.589 175.900 -0.020 0.000 1.065 616 Y CA -1.129 56.903 58.100 -0.114 0.000 1.038 616 Y CB 1.812 40.280 38.460 0.013 0.000 1.297 616 Y HN 0.251 nan 8.280 nan 0.000 0.467 617 R N 1.781 122.385 120.500 0.175 0.000 2.294 617 R HA 0.564 4.903 4.340 -0.001 0.000 0.319 617 R C -1.203 175.260 176.300 0.273 0.000 0.984 617 R CA -0.604 55.651 56.100 0.260 0.000 0.861 617 R CB 1.504 31.936 30.300 0.220 0.000 1.104 617 R HN 0.640 nan 8.270 nan 0.000 0.451 618 I N 4.343 125.100 120.570 0.312 0.000 2.377 618 I HA 0.414 4.583 4.170 -0.001 0.000 0.293 618 I C -0.994 175.311 176.117 0.314 0.000 0.987 618 I CA -0.681 60.797 61.300 0.296 0.000 1.185 618 I CB 0.950 39.140 38.000 0.317 0.000 1.341 618 I HN 0.542 nan 8.210 nan 0.000 0.455 619 I N 8.201 128.925 120.570 0.257 0.000 2.498 619 I HA 0.511 4.681 4.170 -0.001 0.000 0.290 619 I C -1.017 175.253 176.117 0.256 0.000 1.032 619 I CA -0.529 60.871 61.300 0.167 0.000 1.073 619 I CB 1.662 39.721 38.000 0.099 0.000 1.251 619 I HN 0.514 nan 8.210 nan 0.000 0.426 620 F N 2.798 122.774 119.950 0.043 0.000 2.686 620 F HA 0.568 5.094 4.527 -0.001 0.000 0.311 620 F C -1.047 174.739 175.800 -0.024 0.000 1.128 620 F CA -1.301 56.703 58.000 0.006 0.000 0.946 620 F CB 1.313 40.302 39.000 -0.017 0.000 1.336 620 F HN 0.210 nan 8.300 nan 0.000 0.457 621 K N 1.971 122.465 120.400 0.158 0.000 2.285 621 K HA 0.732 5.051 4.320 -0.001 0.000 0.286 621 K C -0.667 175.990 176.600 0.094 0.000 1.072 621 K CA -0.360 55.959 56.287 0.053 0.000 0.913 621 K CB 0.852 33.412 32.500 0.101 0.000 1.067 621 K HN 0.938 nan 8.250 nan 0.000 0.479 622 A N 4.690 127.473 122.820 -0.062 0.000 2.310 622 A HA 0.396 4.716 4.320 -0.001 0.000 0.299 622 A C -0.628 177.093 177.584 0.228 0.000 1.147 622 A CA -0.675 51.396 52.037 0.056 0.000 0.818 622 A CB 0.654 19.640 19.000 -0.024 0.000 1.096 622 A HN 0.884 nan 8.150 nan 0.000 0.495 623 R N 2.118 122.863 120.500 0.409 0.000 2.439 623 R HA 0.610 4.949 4.340 -0.001 0.000 0.310 623 R C -1.895 174.668 176.300 0.440 0.000 0.955 623 R CA -0.241 56.089 56.100 0.384 0.000 0.853 623 R CB 1.345 31.853 30.300 0.347 0.000 1.171 623 R HN 0.503 nan 8.270 nan 0.000 0.449 624 V N 5.984 126.109 119.914 0.352 0.000 2.709 624 V HA 0.477 4.596 4.120 -0.001 0.000 0.308 624 V C -2.286 173.695 176.094 -0.188 0.000 1.062 624 V CA -2.307 60.086 62.300 0.155 0.000 0.901 624 V CB 1.978 33.873 31.823 0.119 0.000 1.003 624 V HN 0.781 nan 8.190 nan 0.000 0.425 625 P HA 0.252 nan 4.420 nan 0.000 0.273 625 P C -2.767 174.041 177.300 -0.821 0.000 1.250 625 P CA -1.528 60.665 63.100 -1.513 0.000 0.793 625 P CB -0.228 30.776 31.700 -1.160 0.000 1.011 626 P HA 0.091 nan 4.420 nan 0.000 0.264 626 P C 0.105 177.360 177.300 -0.075 0.000 1.193 626 P CA 0.590 63.496 63.100 -0.324 0.000 0.763 626 P CB -0.247 31.334 31.700 -0.198 0.000 0.810 627 M N 0.373 119.971 119.600 -0.003 0.000 2.253 627 M HA -0.214 4.265 4.480 -0.001 0.000 0.199 627 M C 0.573 177.070 176.300 0.329 0.000 0.342 627 M CA 0.958 56.397 55.300 0.233 0.000 0.417 627 M CB -2.017 30.814 32.600 0.384 0.000 1.338 627 M HN 0.578 nan 8.290 nan 0.000 0.920 628 G N -0.172 108.677 108.800 0.081 0.000 3.105 628 G HA2 0.933 4.892 3.960 -0.001 0.000 0.277 628 G HA3 0.933 4.892 3.960 -0.001 0.000 0.277 628 G C -1.311 173.719 174.900 0.216 0.000 1.375 628 G CA -0.975 44.142 45.100 0.028 0.000 0.962 628 G HN 0.186 nan 8.290 nan 0.000 0.541 629 L N -0.421 120.913 121.223 0.185 0.000 2.388 629 L HA 0.793 5.133 4.340 -0.001 0.000 0.264 629 L C -0.216 176.750 176.870 0.160 0.000 0.998 629 L CA -1.032 53.948 54.840 0.234 0.000 0.817 629 L CB 2.468 44.670 42.059 0.238 0.000 1.338 629 L HN 0.739 nan 8.230 nan 0.000 0.414 630 A N 0.907 123.863 122.820 0.226 0.000 2.398 630 A HA 0.794 5.114 4.320 -0.001 0.000 0.301 630 A C -0.730 177.001 177.584 0.245 0.000 1.041 630 A CA -0.449 51.703 52.037 0.191 0.000 0.711 630 A CB 1.655 20.822 19.000 0.278 0.000 1.240 630 A HN 0.564 nan 8.150 nan 0.000 0.420 631 T N 2.212 116.805 114.554 0.066 0.000 2.829 631 T HA 0.644 4.993 4.350 -0.001 0.000 0.282 631 T C -1.008 173.601 174.700 -0.152 0.000 0.990 631 T CA 0.273 62.454 62.100 0.135 0.000 1.028 631 T CB 0.322 69.267 68.868 0.128 0.000 0.951 631 T HN 0.443 nan 8.240 nan 0.000 0.460 632 Y N 0.288 120.674 120.300 0.142 0.000 2.634 632 Y HA 0.678 5.228 4.550 -0.001 0.000 0.340 632 Y C -0.338 175.489 175.900 -0.121 0.000 1.058 632 Y CA -1.174 56.924 58.100 -0.004 0.000 1.081 632 Y CB 1.689 40.161 38.460 0.020 0.000 1.295 632 Y HN 0.309 nan 8.280 nan 0.000 0.487 633 V N 2.950 122.833 119.914 -0.052 0.000 2.588 633 V HA 0.448 4.568 4.120 -0.001 0.000 0.304 633 V C -0.845 175.198 176.094 -0.086 0.000 1.042 633 V CA -0.971 61.237 62.300 -0.154 0.000 0.877 633 V CB 1.846 33.503 31.823 -0.276 0.000 0.996 633 V HN 0.490 nan 8.190 nan 0.000 0.425 634 L N 3.776 124.978 121.223 -0.036 0.000 2.296 634 L HA 0.697 5.037 4.340 -0.001 0.000 0.286 634 L C -0.158 176.734 176.870 0.037 0.000 1.023 634 L CA -0.151 54.682 54.840 -0.011 0.000 0.812 634 L CB 1.798 43.864 42.059 0.013 0.000 1.223 634 L HN 0.603 nan 8.230 nan 0.000 0.421 635 T N 3.707 118.286 114.554 0.041 0.000 2.861 635 T HA 0.470 4.820 4.350 -0.001 0.000 0.287 635 T C -0.261 174.491 174.700 0.087 0.000 1.003 635 T CA -0.378 61.760 62.100 0.063 0.000 0.977 635 T CB 2.418 71.312 68.868 0.045 0.000 0.996 635 T HN 0.392 nan 8.240 nan 0.000 0.448 636 I N 3.050 123.679 120.570 0.099 0.000 2.612 636 I HA 0.575 4.745 4.170 -0.001 0.000 0.295 636 I C 0.217 176.401 176.117 0.113 0.000 1.011 636 I CA 0.066 61.441 61.300 0.124 0.000 1.326 636 I CB 0.830 38.905 38.000 0.126 0.000 1.427 636 I HN 0.828 nan 8.210 nan 0.000 0.537 637 S N 3.647 119.431 115.700 0.141 0.000 2.697 637 S HA 0.303 4.773 4.470 -0.001 0.000 0.289 637 S C 0.179 174.819 174.600 0.067 0.000 1.149 637 S CA -0.557 57.691 58.200 0.081 0.000 0.850 637 S CB 1.526 64.755 63.200 0.049 0.000 1.151 637 S HN 0.743 nan 8.310 nan 0.000 0.491 638 D N 0.077 120.458 120.400 -0.031 0.000 2.347 638 D HA 0.054 4.694 4.640 -0.001 0.000 0.215 638 D C 0.723 176.790 176.300 -0.389 0.000 0.976 638 D CA 0.810 54.756 54.000 -0.089 0.000 0.884 638 D CB -0.054 40.704 40.800 -0.071 0.000 0.915 638 D HN 0.641 nan 8.370 nan 0.000 0.526 639 S N -1.358 114.009 115.700 -0.555 0.000 2.752 639 S HA 0.338 4.807 4.470 -0.001 0.000 0.284 639 S C -0.781 173.380 174.600 -0.731 0.000 1.189 639 S CA -1.151 56.426 58.200 -1.038 0.000 0.835 639 S CB 1.515 64.392 63.200 -0.538 0.000 1.192 639 S HN -0.044 nan 8.310 nan 0.000 0.506 640 K N 1.882 121.949 120.400 -0.555 0.000 2.466 640 K HA 0.174 4.493 4.320 -0.001 0.000 0.278 640 K C -2.417 174.205 176.600 0.037 0.000 1.048 640 K CA -0.497 55.788 56.287 -0.002 0.000 1.088 640 K CB -0.577 31.957 32.500 0.058 0.000 0.884 640 K HN 0.375 nan 8.250 nan 0.000 0.478 641 P HA -0.003 nan 4.420 nan 0.000 0.275 641 P C 0.538 177.858 177.300 0.033 0.000 1.228 641 P CA -0.287 62.862 63.100 0.082 0.000 0.786 641 P CB 0.762 32.538 31.700 0.126 0.000 0.927 642 E N 1.362 121.537 120.200 -0.042 0.000 2.118 642 E HA -0.239 4.110 4.350 -0.001 0.000 0.195 642 E C 0.510 176.913 176.600 -0.329 0.000 0.992 642 E CA 1.181 57.458 56.400 -0.206 0.000 0.804 642 E CB -0.037 29.463 29.700 -0.333 0.000 0.741 642 E HN 0.498 nan 8.360 nan 0.000 0.458 643 H N -0.630 118.453 119.070 0.022 0.000 2.505 643 H HA 0.216 4.771 4.556 -0.001 0.000 0.289 643 H C -0.401 174.925 175.328 -0.002 0.000 1.052 643 H CA 0.212 56.268 56.048 0.013 0.000 1.156 643 H CB 0.671 30.439 29.762 0.011 0.000 1.507 643 H HN -0.045 nan 8.280 nan 0.000 0.548 644 T N 1.505 116.084 114.554 0.042 0.000 2.812 644 T HA 0.315 4.665 4.350 -0.001 0.000 0.282 644 T C 0.331 174.919 174.700 -0.187 0.000 0.990 644 T CA -0.701 61.359 62.100 -0.068 0.000 0.960 644 T CB 2.134 70.958 68.868 -0.072 0.000 0.948 644 T HN 0.275 nan 8.240 nan 0.000 0.438 645 S N 2.342 117.889 115.700 -0.255 0.000 2.718 645 S HA 0.784 5.254 4.470 -0.001 0.000 0.300 645 S C -1.386 172.870 174.600 -0.573 0.000 1.117 645 S CA -0.815 57.245 58.200 -0.233 0.000 1.002 645 S CB 0.872 64.043 63.200 -0.047 0.000 1.092 645 S HN 0.574 nan 8.310 nan 0.000 0.542 646 Y N -0.041 120.265 120.300 0.010 0.000 2.391 646 Y HA 0.651 5.201 4.550 -0.001 0.000 0.341 646 Y C 0.564 176.512 175.900 0.080 0.000 0.965 646 Y CA -0.772 57.318 58.100 -0.017 0.000 1.067 646 Y CB 1.696 40.014 38.460 -0.237 0.000 1.199 646 Y HN 1.036 nan 8.280 nan 0.000 0.450 647 A N 2.081 125.083 122.820 0.304 0.000 2.386 647 A HA 0.542 4.862 4.320 -0.001 0.000 0.248 647 A C 0.092 177.873 177.584 0.328 0.000 1.082 647 A CA -0.330 51.876 52.037 0.282 0.000 0.789 647 A CB 0.151 19.316 19.000 0.275 0.000 1.025 647 A HN 0.700 nan 8.150 nan 0.000 0.490 648 S N 1.083 116.914 115.700 0.218 0.000 2.652 648 S HA 0.454 4.924 4.470 -0.001 0.000 0.270 648 S C -0.117 174.587 174.600 0.173 0.000 1.243 648 S CA -0.736 57.580 58.200 0.192 0.000 0.999 648 S CB 0.526 63.795 63.200 0.115 0.000 0.973 648 S HN 0.745 nan 8.310 nan 0.000 0.544 649 N N 0.958 119.739 118.700 0.135 0.000 2.310 649 N HA 0.463 5.202 4.740 -0.001 0.000 0.292 649 N C -1.862 173.605 175.510 -0.071 0.000 1.049 649 N CA -0.541 52.550 53.050 0.068 0.000 0.849 649 N CB 2.265 40.883 38.487 0.218 0.000 1.532 649 N HN 0.352 nan 8.380 nan 0.000 0.479 650 L N 2.224 123.360 121.223 -0.144 0.000 2.406 650 L HA 0.539 4.879 4.340 -0.001 0.000 0.272 650 L C -1.700 175.021 176.870 -0.249 0.000 0.980 650 L CA -0.707 54.014 54.840 -0.197 0.000 0.831 650 L CB 1.520 43.517 42.059 -0.103 0.000 1.253 650 L HN 0.455 nan 8.230 nan 0.000 0.406 651 L N 6.057 127.084 121.223 -0.327 0.000 2.276 651 L HA 0.557 4.897 4.340 -0.001 0.000 0.286 651 L C -1.273 175.573 176.870 -0.041 0.000 1.024 651 L CA -0.067 54.640 54.840 -0.222 0.000 0.826 651 L CB 0.998 42.914 42.059 -0.238 0.000 1.211 651 L HN 0.597 nan 8.230 nan 0.000 0.422 652 L N 6.711 127.926 121.223 -0.014 0.000 2.262 652 L HA 0.701 5.040 4.340 -0.001 0.000 0.288 652 L C -0.277 176.629 176.870 0.061 0.000 1.035 652 L CA -0.543 54.319 54.840 0.036 0.000 0.820 652 L CB 0.694 42.767 42.059 0.024 0.000 1.204 652 L HN 0.740 nan 8.230 nan 0.000 0.424 653 R N 2.152 122.699 120.500 0.078 0.000 2.753 653 R HA 0.433 4.772 4.340 -0.001 0.000 0.272 653 R C -1.749 174.584 176.300 0.055 0.000 1.034 653 R CA -1.010 55.131 56.100 0.067 0.000 0.869 653 R CB 1.089 31.429 30.300 0.067 0.000 1.264 653 R HN 0.144 nan 8.270 nan 0.000 0.481 654 K N 1.354 121.776 120.400 0.037 0.000 2.126 654 K HA 0.209 4.528 4.320 -0.001 0.000 0.257 654 K C -0.264 176.335 176.600 -0.003 0.000 1.007 654 K CA -0.631 55.668 56.287 0.020 0.000 0.928 654 K CB 0.560 33.071 32.500 0.018 0.000 1.013 654 K HN 0.831 nan 8.250 nan 0.000 0.473 655 N N 0.769 119.456 118.700 -0.023 0.000 2.756 655 N HA -0.107 4.633 4.740 -0.001 0.000 0.248 655 N C -2.594 172.865 175.510 -0.085 0.000 1.062 655 N CA 0.142 53.160 53.050 -0.053 0.000 0.696 655 N CB -0.792 37.667 38.487 -0.045 0.000 0.946 655 N HN 0.419 nan 8.380 nan 0.000 0.548 656 P HA 0.309 nan 4.420 nan 0.000 0.276 656 P C -0.305 176.826 177.300 -0.282 0.000 1.244 656 P CA -0.096 62.905 63.100 -0.165 0.000 0.801 656 P CB 1.049 32.635 31.700 -0.189 0.000 1.006 657 T N -2.854 111.534 114.554 -0.275 0.000 2.916 657 T HA 0.476 4.826 4.350 -0.001 0.000 0.292 657 T C 0.223 174.757 174.700 -0.276 0.000 1.064 657 T CA -0.772 61.175 62.100 -0.254 0.000 1.011 657 T CB 0.647 69.430 68.868 -0.141 0.000 1.152 657 T HN 0.477 nan 8.240 nan 0.000 0.510 658 S N 0.822 116.405 115.700 -0.195 0.000 2.566 658 S HA 0.353 4.822 4.470 -0.001 0.000 0.280 658 S C -0.140 174.562 174.600 0.170 0.000 1.343 658 S CA -0.705 57.480 58.200 -0.025 0.000 1.036 658 S CB -0.374 62.823 63.200 -0.005 0.000 0.866 658 S HN 0.694 nan 8.310 nan 0.000 0.526 659 L N 2.609 124.033 121.223 0.335 0.000 2.481 659 L HA 0.374 4.713 4.340 -0.001 0.000 0.255 659 L C -2.311 174.669 176.870 0.185 0.000 1.192 659 L CA -1.604 53.405 54.840 0.283 0.000 0.924 659 L CB 1.596 43.900 42.059 0.408 0.000 1.179 659 L HN 0.602 nan 8.230 nan 0.000 0.491 660 P HA 0.179 nan 4.420 nan 0.000 0.275 660 P C -0.100 177.205 177.300 0.007 0.000 1.228 660 P CA -0.172 62.968 63.100 0.068 0.000 0.786 660 P CB 1.763 33.492 31.700 0.049 0.000 0.927 661 L N 1.153 122.390 121.223 0.023 0.000 3.347 661 L HA 0.289 4.628 4.340 -0.001 0.000 0.306 661 L C 1.396 178.339 176.870 0.122 0.000 1.301 661 L CA -0.130 54.703 54.840 -0.010 0.000 0.985 661 L CB 0.054 42.077 42.059 -0.059 0.000 1.400 661 L HN 0.735 nan 8.230 nan 0.000 0.601 662 G N 1.223 110.074 108.800 0.085 0.000 2.591 662 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.298 662 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.298 662 G C 0.528 175.482 174.900 0.090 0.000 1.195 662 G CA 0.735 45.900 45.100 0.108 0.000 0.989 662 G HN 0.480 nan 8.290 nan 0.000 0.551 663 Q N -0.512 119.316 119.800 0.047 0.000 2.472 663 Q HA 0.203 4.542 4.340 -0.001 0.000 0.208 663 Q C 0.874 176.710 176.000 -0.273 0.000 0.958 663 Q CA 0.295 56.028 55.803 -0.116 0.000 0.932 663 Q CB 0.259 28.849 28.738 -0.248 0.000 1.007 663 Q HN 0.511 nan 8.270 nan 0.000 0.508 664 Y N 4.227 124.325 120.300 -0.336 0.000 2.805 664 Y HA -0.065 4.484 4.550 -0.001 0.000 0.331 664 Y C -1.311 174.445 175.900 -0.240 0.000 1.241 664 Y CA -1.415 56.476 58.100 -0.348 0.000 1.546 664 Y CB 0.790 39.205 38.460 -0.074 0.000 1.248 664 Y HN 0.052 nan 8.280 nan 0.000 0.559 665 P HA -0.058 nan 4.420 nan 0.000 0.241 665 P C -0.666 176.476 177.300 -0.262 0.000 1.191 665 P CA 0.976 63.804 63.100 -0.454 0.000 0.771 665 P CB 0.539 31.876 31.700 -0.605 0.000 0.929 666 E N 1.005 121.085 120.200 -0.200 0.000 2.176 666 E HA 0.230 4.580 4.350 -0.001 0.000 0.267 666 E C -0.517 176.198 176.600 0.191 0.000 0.893 666 E CA -0.562 55.859 56.400 0.035 0.000 0.761 666 E CB 1.369 31.134 29.700 0.109 0.000 1.133 666 E HN 0.039 nan 8.360 nan 0.000 0.409 667 D N 1.376 121.852 120.400 0.127 0.000 2.350 667 D HA 0.094 4.733 4.640 -0.001 0.000 0.249 667 D C 0.225 176.596 176.300 0.118 0.000 1.119 667 D CA -0.261 53.821 54.000 0.137 0.000 0.886 667 D CB 1.238 42.105 40.800 0.112 0.000 1.195 667 D HN 0.039 nan 8.370 nan 0.000 0.437 668 V N 3.421 123.394 119.914 0.098 0.000 2.673 668 V HA -0.036 4.083 4.120 -0.001 0.000 0.303 668 V C 0.768 176.717 176.094 -0.242 0.000 1.046 668 V CA 0.153 62.417 62.300 -0.060 0.000 1.126 668 V CB 0.367 32.133 31.823 -0.095 0.000 0.934 668 V HN 0.317 nan 8.190 nan 0.000 0.487 669 K N 3.606 123.802 120.400 -0.339 0.000 2.123 669 K HA 0.689 5.008 4.320 -0.001 0.000 0.248 669 K C -0.895 175.333 176.600 -0.620 0.000 0.969 669 K CA -0.423 55.697 56.287 -0.278 0.000 0.882 669 K CB 1.473 33.921 32.500 -0.087 0.000 1.080 669 K HN 0.412 nan 8.250 nan 0.000 0.441 670 F N -0.989 118.974 119.950 0.022 0.000 2.588 670 F HA 0.718 5.244 4.527 -0.001 0.000 0.314 670 F C 0.610 176.415 175.800 0.008 0.000 1.069 670 F CA -0.669 57.336 58.000 0.007 0.000 0.931 670 F CB 2.772 41.774 39.000 0.004 0.000 1.260 670 F HN 0.570 nan 8.300 nan 0.000 0.465 671 G N 0.380 109.287 108.800 0.179 0.000 2.601 671 G HA2 0.402 4.361 3.960 -0.001 0.000 0.291 671 G HA3 0.402 4.361 3.960 -0.001 0.000 0.291 671 G C -2.188 172.765 174.900 0.088 0.000 1.456 671 G CA -0.843 44.322 45.100 0.108 0.000 0.804 671 G HN 0.368 nan 8.290 nan 0.000 0.499 672 D N 0.827 121.266 120.400 0.066 0.000 2.362 672 D HA 0.394 5.034 4.640 -0.001 0.000 0.242 672 D C -1.962 174.368 176.300 0.051 0.000 1.132 672 D CA -0.660 53.372 54.000 0.054 0.000 0.907 672 D CB 1.083 41.909 40.800 0.043 0.000 1.195 672 D HN 0.000 nan 8.370 nan 0.000 0.429 673 P HA 0.049 nan 4.420 nan 0.000 0.264 673 P C -0.460 176.870 177.300 0.050 0.000 1.179 673 P CA 0.465 63.596 63.100 0.052 0.000 0.763 673 P CB 0.410 32.143 31.700 0.055 0.000 0.806 674 R N 0.257 120.789 120.500 0.053 0.000 2.690 674 R HA 0.402 4.741 4.340 -0.001 0.000 0.269 674 R C -1.173 175.168 176.300 0.067 0.000 1.037 674 R CA -1.022 55.110 56.100 0.053 0.000 0.877 674 R CB 1.046 31.373 30.300 0.045 0.000 1.255 674 R HN 0.233 nan 8.270 nan 0.000 0.467 675 E N 1.489 121.729 120.200 0.068 0.000 2.398 675 E HA 0.268 4.617 4.350 -0.001 0.000 0.263 675 E C -0.020 176.639 176.600 0.099 0.000 1.046 675 E CA -0.006 56.449 56.400 0.091 0.000 0.908 675 E CB 0.855 30.593 29.700 0.063 0.000 0.963 675 E HN 0.450 nan 8.360 nan 0.000 0.431 676 I N -2.187 118.476 120.570 0.156 0.000 3.095 676 I HA 0.552 4.721 4.170 -0.001 0.000 0.310 676 I C -0.810 175.455 176.117 0.247 0.000 1.196 676 I CA -0.679 60.714 61.300 0.155 0.000 0.985 676 I CB 2.516 40.581 38.000 0.108 0.000 1.250 676 I HN 0.154 nan 8.210 nan 0.000 0.446 677 S N 3.275 119.091 115.700 0.194 0.000 2.549 677 S HA 0.850 5.320 4.470 -0.001 0.000 0.280 677 S C -0.915 173.805 174.600 0.200 0.000 1.109 677 S CA -0.643 57.691 58.200 0.223 0.000 0.905 677 S CB 1.750 65.030 63.200 0.133 0.000 1.081 677 S HN 0.577 nan 8.310 nan 0.000 0.477 678 L N 1.776 123.145 121.223 0.243 0.000 2.393 678 L HA 0.704 5.044 4.340 -0.001 0.000 0.260 678 L C -0.506 176.459 176.870 0.159 0.000 1.002 678 L CA -0.687 54.266 54.840 0.187 0.000 0.818 678 L CB 2.326 44.510 42.059 0.208 0.000 1.369 678 L HN 0.530 nan 8.230 nan 0.000 0.412 679 R N 1.386 121.956 120.500 0.117 0.000 2.522 679 R HA 0.654 4.994 4.340 -0.001 0.000 0.283 679 R C -2.099 174.249 176.300 0.081 0.000 1.074 679 R CA -0.470 55.687 56.100 0.095 0.000 0.925 679 R CB 2.284 32.631 30.300 0.078 0.000 1.205 679 R HN 0.400 nan 8.270 nan 0.000 0.436 680 V N 4.539 124.499 119.914 0.076 0.000 2.435 680 V HA 0.580 4.699 4.120 -0.001 0.000 0.290 680 V C 1.096 177.223 176.094 0.055 0.000 1.030 680 V CA 0.637 62.977 62.300 0.067 0.000 0.881 680 V CB 1.149 33.014 31.823 0.069 0.000 0.983 680 V HN 1.114 nan 8.190 nan 0.000 0.445 681 G N 5.011 113.842 108.800 0.051 0.000 2.596 681 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.295 681 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.295 681 G C 0.507 175.430 174.900 0.038 0.000 1.240 681 G CA 0.655 45.781 45.100 0.043 0.000 0.985 681 G HN 0.683 nan 8.290 nan 0.000 0.555 682 N N 2.259 120.978 118.700 0.031 0.000 2.230 682 N HA 0.247 4.986 4.740 -0.001 0.000 0.202 682 N C 1.293 176.815 175.510 0.020 0.000 1.119 682 N CA 0.935 54.000 53.050 0.024 0.000 0.851 682 N CB 0.402 38.900 38.487 0.018 0.000 0.990 682 N HN 0.821 nan 8.380 nan 0.000 0.497 683 G N 2.035 110.851 108.800 0.027 0.000 2.529 683 G HA2 0.128 4.087 3.960 -0.001 0.000 0.277 683 G HA3 0.128 4.087 3.960 -0.001 0.000 0.277 683 G C -2.254 172.658 174.900 0.020 0.000 1.383 683 G CA -0.492 44.622 45.100 0.024 0.000 1.050 683 G HN 0.021 nan 8.290 nan 0.000 0.526 684 P HA 0.204 nan 4.420 nan 0.000 0.274 684 P C -0.552 176.766 177.300 0.030 0.000 1.246 684 P CA 0.014 63.118 63.100 0.008 0.000 0.795 684 P CB 0.896 32.596 31.700 -0.001 0.000 1.006 685 T N 2.222 116.788 114.554 0.021 0.000 2.771 685 T HA 0.472 4.821 4.350 -0.001 0.000 0.281 685 T C -0.007 174.727 174.700 0.057 0.000 0.982 685 T CA -0.380 61.758 62.100 0.063 0.000 0.978 685 T CB 0.148 69.067 68.868 0.085 0.000 0.930 685 T HN 0.181 nan 8.240 nan 0.000 0.447 686 L N 2.636 123.903 121.223 0.074 0.000 2.329 686 L HA 0.795 5.134 4.340 -0.001 0.000 0.279 686 L C 0.139 176.962 176.870 -0.078 0.000 1.014 686 L CA -1.172 53.638 54.840 -0.050 0.000 0.814 686 L CB 1.588 43.605 42.059 -0.070 0.000 1.257 686 L HN 0.643 nan 8.230 nan 0.000 0.424 687 A N 3.069 125.754 122.820 -0.226 0.000 2.337 687 A HA 0.868 5.188 4.320 -0.001 0.000 0.329 687 A C -1.219 176.148 177.584 -0.362 0.000 1.146 687 A CA -0.310 51.654 52.037 -0.122 0.000 0.800 687 A CB 0.827 19.799 19.000 -0.046 0.000 1.220 687 A HN 0.495 nan 8.150 nan 0.000 0.472 688 F N 0.831 120.827 119.950 0.076 0.000 2.546 688 F HA 0.548 5.075 4.527 -0.001 0.000 0.320 688 F C 1.078 176.925 175.800 0.079 0.000 1.076 688 F CA -0.340 57.721 58.000 0.100 0.000 0.928 688 F CB 2.155 41.219 39.000 0.107 0.000 1.189 688 F HN 0.669 nan 8.300 nan 0.000 0.465 689 S N -0.006 115.854 115.700 0.267 0.000 2.617 689 S HA 0.121 4.591 4.470 -0.001 0.000 0.259 689 S C 0.992 175.698 174.600 0.177 0.000 1.301 689 S CA -0.119 58.183 58.200 0.169 0.000 0.984 689 S CB 0.700 63.996 63.200 0.161 0.000 0.954 689 S HN 0.839 nan 8.310 nan 0.000 0.572 690 E N -0.213 120.058 120.200 0.119 0.000 2.409 690 E HA -0.191 4.158 4.350 -0.001 0.000 0.198 690 E C 1.213 177.878 176.600 0.109 0.000 1.024 690 E CA 0.936 57.396 56.400 0.101 0.000 0.861 690 E CB -0.439 29.305 29.700 0.073 0.000 0.788 690 E HN 0.760 nan 8.360 nan 0.000 0.521 691 Q N 0.090 119.971 119.800 0.134 0.000 2.320 691 Q HA 0.211 4.551 4.340 -0.001 0.000 0.201 691 Q C 0.792 176.887 176.000 0.158 0.000 0.910 691 Q CA 0.442 56.323 55.803 0.131 0.000 0.946 691 Q CB 0.976 29.793 28.738 0.131 0.000 1.062 691 Q HN 0.478 nan 8.270 nan 0.000 0.503 692 G N 0.476 109.390 108.800 0.191 0.000 2.143 692 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.248 692 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.248 692 G C -0.294 174.838 174.900 0.386 0.000 0.991 692 G CA -0.162 45.058 45.100 0.200 0.000 0.689 692 G HN 0.276 nan 8.290 nan 0.000 0.522 693 L N -0.140 121.353 121.223 0.449 0.000 2.329 693 L HA 0.660 5.000 4.340 -0.001 0.000 0.279 693 L C 0.770 177.948 176.870 0.515 0.000 1.014 693 L CA -1.408 53.742 54.840 0.516 0.000 0.814 693 L CB 1.631 43.903 42.059 0.355 0.000 1.257 693 L HN 0.131 nan 8.230 nan 0.000 0.424 694 L N 3.515 125.020 121.223 0.470 0.000 2.559 694 L HA -0.056 4.283 4.340 -0.001 0.000 0.282 694 L C 1.045 177.991 176.870 0.128 0.000 1.232 694 L CA 0.977 55.836 54.840 0.031 0.000 0.885 694 L CB 0.198 42.304 42.059 0.078 0.000 1.131 694 L HN 0.800 nan 8.230 nan 0.000 0.498 695 K N 1.311 121.674 120.400 -0.062 0.000 2.511 695 K HA 0.323 4.642 4.320 -0.001 0.000 0.206 695 K C -0.080 176.457 176.600 -0.105 0.000 1.333 695 K CA 0.313 56.573 56.287 -0.046 0.000 0.957 695 K CB 0.445 32.892 32.500 -0.088 0.000 1.172 695 K HN 0.602 nan 8.250 nan 0.000 0.547 696 S N 0.348 115.966 115.700 -0.137 0.000 2.567 696 S HA 0.589 5.058 4.470 -0.001 0.000 0.270 696 S C -1.199 173.347 174.600 -0.090 0.000 1.152 696 S CA -0.998 57.149 58.200 -0.088 0.000 0.835 696 S CB 1.321 64.516 63.200 -0.007 0.000 1.115 696 S HN 0.181 nan 8.310 nan 0.000 0.459 697 I N 1.438 121.970 120.570 -0.064 0.000 2.466 697 I HA 0.463 4.633 4.170 -0.001 0.000 0.289 697 I C -0.599 175.472 176.117 -0.077 0.000 1.026 697 I CA -0.373 60.888 61.300 -0.066 0.000 1.078 697 I CB 2.144 40.096 38.000 -0.080 0.000 1.249 697 I HN 0.727 nan 8.210 nan 0.000 0.429 698 Q N 6.015 125.755 119.800 -0.100 0.000 2.357 698 Q HA 0.419 4.758 4.340 -0.001 0.000 0.266 698 Q C 0.095 176.018 176.000 -0.127 0.000 1.021 698 Q CA -0.523 55.148 55.803 -0.218 0.000 0.784 698 Q CB 1.724 30.183 28.738 -0.466 0.000 1.243 698 Q HN 0.778 nan 8.270 nan 0.000 0.465 699 L N 1.958 123.117 121.223 -0.106 0.000 2.083 699 L HA -0.045 4.294 4.340 -0.001 0.000 0.209 699 L C 1.129 177.965 176.870 -0.056 0.000 1.083 699 L CA 1.351 56.150 54.840 -0.068 0.000 0.752 699 L CB -0.323 41.700 42.059 -0.060 0.000 0.899 699 L HN 0.679 nan 8.230 nan 0.000 0.433 700 T N -6.947 107.565 114.554 -0.069 0.000 2.812 700 T HA 0.206 4.556 4.350 -0.001 0.000 0.294 700 T C 0.492 175.157 174.700 -0.057 0.000 1.159 700 T CA -0.856 61.215 62.100 -0.048 0.000 1.008 700 T CB 1.762 70.608 68.868 -0.037 0.000 1.289 700 T HN -0.171 nan 8.240 nan 0.000 0.514 701 Q N 1.070 120.852 119.800 -0.031 0.000 2.118 701 Q HA -0.199 4.140 4.340 -0.001 0.000 0.211 701 Q C 1.849 177.832 176.000 -0.029 0.000 0.998 701 Q CA 2.691 58.482 55.803 -0.020 0.000 0.872 701 Q CB -0.449 28.287 28.738 -0.003 0.000 0.925 701 Q HN 0.927 nan 8.270 nan 0.000 0.414 702 D N -0.200 120.181 120.400 -0.031 0.000 2.213 702 D HA -0.053 4.587 4.640 -0.001 0.000 0.205 702 D C 0.805 177.075 176.300 -0.049 0.000 0.961 702 D CA 0.563 54.547 54.000 -0.028 0.000 0.853 702 D CB -0.296 40.493 40.800 -0.018 0.000 0.967 702 D HN 0.095 nan 8.370 nan 0.000 0.496 703 S N 1.850 117.507 115.700 -0.072 0.000 2.572 703 S HA 0.172 4.641 4.470 -0.001 0.000 0.267 703 S C -2.189 172.327 174.600 -0.141 0.000 1.361 703 S CA -0.982 57.165 58.200 -0.089 0.000 1.009 703 S CB 0.323 63.469 63.200 -0.091 0.000 0.888 703 S HN 0.057 nan 8.310 nan 0.000 0.553 704 P HA 0.162 nan 4.420 nan 0.000 0.274 704 P C -0.693 176.496 177.300 -0.184 0.000 1.237 704 P CA -0.300 62.746 63.100 -0.090 0.000 0.793 704 P CB 0.245 31.935 31.700 -0.016 0.000 0.977 705 H N 0.440 119.502 119.070 -0.013 0.000 2.969 705 H HA 0.168 4.724 4.556 -0.001 0.000 0.269 705 H C -0.082 175.226 175.328 -0.034 0.000 1.223 705 H CA -0.342 55.690 56.048 -0.027 0.000 1.400 705 H CB 0.004 29.750 29.762 -0.025 0.000 1.500 705 H HN 0.089 nan 8.280 nan 0.000 0.486 706 V N 6.975 126.888 119.914 -0.002 0.000 2.470 706 V HA 0.048 4.168 4.120 -0.001 0.000 0.276 706 V C -1.871 174.186 176.094 -0.062 0.000 1.040 706 V CA -1.481 60.805 62.300 -0.024 0.000 1.008 706 V CB 0.675 32.469 31.823 -0.049 0.000 0.990 706 V HN 0.544 nan 8.190 nan 0.000 0.477 707 P HA 0.185 nan 4.420 nan 0.000 0.266 707 P C -0.795 176.367 177.300 -0.231 0.000 1.215 707 P CA 0.239 63.210 63.100 -0.216 0.000 0.763 707 P CB 0.509 31.927 31.700 -0.470 0.000 0.806 708 V N 4.237 124.043 119.914 -0.179 0.000 2.555 708 V HA 0.203 4.323 4.120 -0.001 0.000 0.283 708 V C -0.626 175.376 176.094 -0.154 0.000 1.020 708 V CA -0.425 61.754 62.300 -0.201 0.000 0.883 708 V CB 1.120 32.814 31.823 -0.215 0.000 1.030 708 V HN 0.613 nan 8.190 nan 0.000 0.448 709 H N 4.597 123.505 119.070 -0.269 0.000 2.481 709 H HA 0.570 5.125 4.556 -0.001 0.000 0.333 709 H C -1.408 173.798 175.328 -0.203 0.000 1.066 709 H CA -0.678 55.258 56.048 -0.187 0.000 1.209 709 H CB 1.279 30.971 29.762 -0.116 0.000 1.445 709 H HN 0.451 nan 8.280 nan 0.000 0.488 710 F N 3.766 123.491 119.950 -0.375 0.000 2.384 710 F HA 0.317 4.843 4.527 -0.001 0.000 0.338 710 F C 0.305 175.623 175.800 -0.804 0.000 1.103 710 F CA -0.051 57.655 58.000 -0.491 0.000 1.157 710 F CB 1.139 39.966 39.000 -0.289 0.000 1.167 710 F HN 0.434 nan 8.300 nan 0.000 0.529 711 K N 3.143 123.287 120.400 -0.426 0.000 2.523 711 K HA 0.507 4.826 4.320 -0.001 0.000 0.257 711 K C -1.974 174.363 176.600 -0.439 0.000 0.932 711 K CA -0.563 55.502 56.287 -0.371 0.000 0.812 711 K CB 1.347 33.678 32.500 -0.281 0.000 1.326 711 K HN 0.397 nan 8.250 nan 0.000 0.433 712 F N 3.928 123.794 119.950 -0.140 0.000 2.436 712 F HA 0.498 5.025 4.527 -0.001 0.000 0.340 712 F C -0.374 175.378 175.800 -0.081 0.000 1.113 712 F CA -0.571 57.362 58.000 -0.112 0.000 1.022 712 F CB 1.192 40.112 39.000 -0.132 0.000 1.128 712 F HN 0.244 nan 8.300 nan 0.000 0.466 713 L N 2.752 124.013 121.223 0.062 0.000 2.277 713 L HA 0.635 4.974 4.340 -0.001 0.000 0.254 713 L C -1.140 175.717 176.870 -0.022 0.000 1.044 713 L CA -1.013 53.814 54.840 -0.022 0.000 0.842 713 L CB 2.292 44.275 42.059 -0.127 0.000 1.422 713 L HN 0.487 nan 8.230 nan 0.000 0.422 714 K N -0.382 119.966 120.400 -0.087 0.000 2.427 714 K HA 0.655 4.975 4.320 -0.001 0.000 0.252 714 K C -1.817 174.713 176.600 -0.117 0.000 0.931 714 K CA -0.810 55.457 56.287 -0.033 0.000 0.793 714 K CB 1.791 34.307 32.500 0.025 0.000 1.211 714 K HN 0.257 nan 8.250 nan 0.000 0.426 715 Y N 0.534 120.895 120.300 0.101 0.000 2.419 715 Y HA 0.532 5.081 4.550 -0.001 0.000 0.328 715 Y C 0.983 176.942 175.900 0.097 0.000 1.162 715 Y CA -0.005 58.166 58.100 0.119 0.000 1.174 715 Y CB 2.210 40.808 38.460 0.230 0.000 1.228 715 Y HN 0.922 nan 8.280 nan 0.000 0.473 716 G N 0.436 109.384 108.800 0.246 0.000 2.971 716 G HA2 0.637 4.597 3.960 -0.001 0.000 0.235 716 G HA3 0.637 4.597 3.960 -0.001 0.000 0.235 716 G C -1.430 173.548 174.900 0.131 0.000 1.351 716 G CA -0.724 44.467 45.100 0.150 0.000 1.039 716 G HN 0.439 nan 8.290 nan 0.000 0.563 717 V N -0.272 119.690 119.914 0.079 0.000 2.864 717 V HA 0.484 4.604 4.120 -0.001 0.000 0.314 717 V C -0.048 176.057 176.094 0.019 0.000 1.073 717 V CA -0.872 61.455 62.300 0.045 0.000 0.956 717 V CB 1.998 33.848 31.823 0.046 0.000 1.023 717 V HN 0.679 nan 8.190 nan 0.000 0.435 718 R N 1.103 121.589 120.500 -0.023 0.000 2.594 718 R HA 0.228 4.567 4.340 -0.001 0.000 0.272 718 R C 1.134 177.428 176.300 -0.011 0.000 1.074 718 R CA 0.392 56.460 56.100 -0.054 0.000 1.105 718 R CB 0.650 30.849 30.300 -0.168 0.000 1.008 718 R HN 0.904 nan 8.270 nan 0.000 0.472 719 S N 1.123 116.862 115.700 0.064 0.000 2.528 719 S HA -0.015 4.455 4.470 -0.001 0.000 0.219 719 S C 0.443 175.146 174.600 0.172 0.000 0.985 719 S CA -0.029 58.242 58.200 0.118 0.000 0.914 719 S CB -0.199 63.085 63.200 0.139 0.000 0.776 719 S HN 0.775 nan 8.310 nan 0.000 0.526 720 H N -1.440 117.631 119.070 0.001 0.000 2.980 720 H HA 0.646 5.202 4.556 -0.001 0.000 0.367 720 H C 0.513 175.839 175.328 -0.004 0.000 1.206 720 H CA -0.478 55.569 56.048 -0.001 0.000 1.126 720 H CB 0.954 30.715 29.762 -0.001 0.000 1.838 720 H HN 0.458 nan 8.280 nan 0.000 0.552 721 G N 1.402 110.175 108.800 -0.046 0.000 2.632 721 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.224 721 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.224 721 G C -1.080 173.767 174.900 -0.087 0.000 1.341 721 G CA -0.128 44.912 45.100 -0.099 0.000 0.880 721 G HN 0.817 nan 8.290 nan 0.000 0.566 722 D N 1.527 121.873 120.400 -0.089 0.000 2.424 722 D HA 0.409 5.049 4.640 -0.001 0.000 0.244 722 D C 1.075 177.331 176.300 -0.074 0.000 1.134 722 D CA 0.454 54.412 54.000 -0.070 0.000 0.881 722 D CB 0.497 41.258 40.800 -0.066 0.000 1.191 722 D HN 0.519 nan 8.370 nan 0.000 0.445 723 R N 1.142 121.612 120.500 -0.050 0.000 2.540 723 R HA 0.380 4.720 4.340 -0.001 0.000 0.287 723 R C 0.191 176.476 176.300 -0.025 0.000 0.980 723 R CA -0.742 55.338 56.100 -0.034 0.000 0.966 723 R CB 1.264 31.556 30.300 -0.013 0.000 1.106 723 R HN 0.292 nan 8.270 nan 0.000 0.480 724 S N 0.189 115.886 115.700 -0.005 0.000 2.573 724 S HA 0.363 4.833 4.470 -0.001 0.000 0.277 724 S C 0.409 175.023 174.600 0.023 0.000 1.346 724 S CA 0.029 58.243 58.200 0.024 0.000 1.034 724 S CB 1.215 64.463 63.200 0.079 0.000 0.879 724 S HN 0.776 nan 8.310 nan 0.000 0.528 725 G N -0.292 108.522 108.800 0.023 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 0.489 175.399 174.900 0.017 0.000 1.273 725 G CA -0.109 45.009 45.100 0.030 0.000 0.798 725 G HN 0.709 nan 8.290 nan 0.000 0.509 726 A N -1.255 121.559 122.820 -0.009 0.000 1.978 726 A HA 0.067 4.387 4.320 -0.001 0.000 0.220 726 A C 1.904 179.384 177.584 -0.174 0.000 1.170 726 A CA 2.078 54.050 52.037 -0.107 0.000 0.636 726 A CB -0.639 18.236 19.000 -0.208 0.000 0.810 726 A HN 0.603 nan 8.150 nan 0.000 0.448 727 Y N -0.733 119.499 120.300 -0.114 0.000 2.266 727 Y HA 0.326 4.875 4.550 -0.001 0.000 0.294 727 Y C 0.914 176.697 175.900 -0.194 0.000 1.127 727 Y CA 0.101 58.059 58.100 -0.236 0.000 1.140 727 Y CB -0.177 37.792 38.460 -0.819 0.000 1.071 727 Y HN 0.028 nan 8.280 nan 0.000 0.525 728 L N 0.447 121.616 121.223 -0.091 0.000 2.334 728 L HA 0.214 4.553 4.340 -0.001 0.000 0.277 728 L C -1.115 175.798 176.870 0.071 0.000 1.075 728 L CA -0.587 54.206 54.840 -0.079 0.000 0.804 728 L CB 0.937 42.896 42.059 -0.166 0.000 1.174 728 L HN 0.025 nan 8.230 nan 0.000 0.438 729 F N 4.735 124.620 119.950 -0.108 0.000 2.375 729 F HA 0.483 5.010 4.527 -0.001 0.000 0.361 729 F C -0.730 174.987 175.800 -0.139 0.000 1.117 729 F CA -1.174 56.726 58.000 -0.166 0.000 1.037 729 F CB 0.664 39.503 39.000 -0.268 0.000 1.192 729 F HN 0.209 nan 8.300 nan 0.000 0.452 730 L N 9.158 130.276 121.223 -0.174 0.000 2.556 730 L HA 0.326 4.665 4.340 -0.001 0.000 0.243 730 L C -2.329 174.358 176.870 -0.305 0.000 1.331 730 L CA -1.741 52.939 54.840 -0.266 0.000 0.927 730 L CB 1.028 43.014 42.059 -0.121 0.000 1.219 730 L HN 0.393 nan 8.230 nan 0.000 0.490 731 P HA 0.023 nan 4.420 nan 0.000 0.272 731 P C -0.523 176.694 177.300 -0.138 0.000 1.223 731 P CA -0.257 62.651 63.100 -0.320 0.000 0.784 731 P CB 0.593 31.970 31.700 -0.538 0.000 0.923 732 N N 1.044 119.739 118.700 -0.009 0.000 3.250 732 N HA 0.274 5.013 4.740 -0.001 0.000 0.307 732 N C 0.690 176.221 175.510 0.035 0.000 1.355 732 N CA -0.137 52.915 53.050 0.004 0.000 1.192 732 N CB -0.815 37.690 38.487 0.029 0.000 1.478 732 N HN 0.753 nan 8.380 nan 0.000 0.543 733 G N 0.889 109.702 108.800 0.021 0.000 2.710 733 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.668 733 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.668 733 G C -3.040 171.939 174.900 0.130 0.000 1.320 733 G CA -1.110 44.019 45.100 0.048 0.000 0.860 733 G HN 0.377 nan 8.290 nan 0.000 0.538 734 P HA 0.453 nan 4.420 nan 0.000 0.269 734 P C 0.533 177.803 177.300 -0.050 0.000 1.217 734 P CA 0.678 63.846 63.100 0.113 0.000 0.783 734 P CB 0.394 32.125 31.700 0.052 0.000 0.898 735 A N 2.054 124.654 122.820 -0.367 0.000 2.425 735 A HA 0.458 4.777 4.320 -0.001 0.000 0.242 735 A C 0.331 177.763 177.584 -0.253 0.000 1.077 735 A CA 0.142 51.804 52.037 -0.625 0.000 0.781 735 A CB -0.338 17.981 19.000 -1.135 0.000 1.020 735 A HN 0.572 nan 8.150 nan 0.000 0.494 736 S N 1.139 116.726 115.700 -0.187 0.000 2.532 736 S HA 0.714 5.183 4.470 -0.001 0.000 0.301 736 S C -3.064 171.496 174.600 -0.066 0.000 1.083 736 S CA -1.713 56.436 58.200 -0.085 0.000 1.025 736 S CB 1.420 64.595 63.200 -0.042 0.000 1.056 736 S HN 0.443 nan 8.310 nan 0.000 0.494 737 P HA 0.152 nan 4.420 nan 0.000 0.268 737 P C -0.606 176.700 177.300 0.010 0.000 1.205 737 P CA -0.372 62.724 63.100 -0.006 0.000 0.771 737 P CB 0.323 32.030 31.700 0.013 0.000 0.858 738 V N 4.129 124.061 119.914 0.031 0.000 2.572 738 V HA 0.004 4.123 4.120 -0.001 0.000 0.291 738 V C 0.962 177.073 176.094 0.028 0.000 1.039 738 V CA 0.029 62.347 62.300 0.029 0.000 1.055 738 V CB -0.031 31.817 31.823 0.042 0.000 0.969 738 V HN 0.487 nan 8.190 nan 0.000 0.482 739 E N 5.047 125.259 120.200 0.019 0.000 2.265 739 E HA 0.123 4.472 4.350 -0.001 0.000 0.272 739 E C 0.539 177.151 176.600 0.019 0.000 1.067 739 E CA 0.030 56.444 56.400 0.022 0.000 0.900 739 E CB 1.126 30.838 29.700 0.019 0.000 1.017 739 E HN 0.541 nan 8.360 nan 0.000 0.431 740 L N 1.882 123.122 121.223 0.028 0.000 2.477 740 L HA 0.112 4.452 4.340 -0.001 0.000 0.220 740 L C 1.392 178.280 176.870 0.029 0.000 1.106 740 L CA 0.487 55.340 54.840 0.023 0.000 0.851 740 L CB -0.374 41.707 42.059 0.037 0.000 0.994 740 L HN 0.773 nan 8.230 nan 0.000 0.462 741 G N 0.827 109.648 108.800 0.035 0.000 2.547 741 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.271 741 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.271 741 G C -0.002 174.926 174.900 0.046 0.000 1.209 741 G CA 0.145 45.268 45.100 0.039 0.000 0.959 741 G HN 0.326 nan 8.290 nan 0.000 0.563 742 Q N 1.671 121.502 119.800 0.050 0.000 2.644 742 Q HA 0.472 4.811 4.340 -0.001 0.000 0.245 742 Q C -2.044 173.996 176.000 0.067 0.000 1.064 742 Q CA -1.570 54.266 55.803 0.055 0.000 0.860 742 Q CB 1.090 29.858 28.738 0.049 0.000 1.145 742 Q HN 0.649 nan 8.270 nan 0.000 0.515 743 P HA 0.016 nan 4.420 nan 0.000 0.272 743 P C -0.481 176.887 177.300 0.113 0.000 1.230 743 P CA -0.228 62.923 63.100 0.086 0.000 0.788 743 P CB 1.075 32.809 31.700 0.056 0.000 0.949 744 V N 2.331 122.348 119.914 0.171 0.000 2.488 744 V HA 0.116 4.236 4.120 -0.001 0.000 0.277 744 V C 0.568 176.812 176.094 0.249 0.000 1.046 744 V CA -0.193 62.228 62.300 0.202 0.000 0.986 744 V CB 1.162 33.142 31.823 0.261 0.000 0.989 744 V HN 0.269 nan 8.190 nan 0.000 0.475 745 V N 6.386 126.392 119.914 0.153 0.000 2.495 745 V HA 0.477 4.596 4.120 -0.001 0.000 0.298 745 V C -0.428 175.686 176.094 0.033 0.000 1.031 745 V CA -0.637 61.731 62.300 0.114 0.000 0.871 745 V CB 1.711 33.563 31.823 0.049 0.000 0.988 745 V HN 0.675 nan 8.190 nan 0.000 0.432 746 L N 6.616 127.850 121.223 0.019 0.000 2.305 746 L HA 0.736 5.076 4.340 -0.001 0.000 0.284 746 L C -0.654 176.107 176.870 -0.181 0.000 1.013 746 L CA 0.005 54.734 54.840 -0.185 0.000 0.819 746 L CB 1.758 43.609 42.059 -0.346 0.000 1.227 746 L HN 0.439 nan 8.230 nan 0.000 0.417 747 V N 4.135 123.934 119.914 -0.192 0.000 2.384 747 V HA 0.542 4.662 4.120 -0.001 0.000 0.287 747 V C -0.002 176.030 176.094 -0.104 0.000 1.020 747 V CA -0.390 61.819 62.300 -0.150 0.000 0.850 747 V CB 1.547 33.297 31.823 -0.122 0.000 0.987 747 V HN 0.844 nan 8.190 nan 0.000 0.436 748 T N 5.349 119.872 114.554 -0.053 0.000 2.779 748 T HA 0.441 4.790 4.350 -0.001 0.000 0.280 748 T C -0.394 174.338 174.700 0.054 0.000 0.987 748 T CA -0.560 61.564 62.100 0.040 0.000 0.966 748 T CB 1.166 70.096 68.868 0.103 0.000 0.933 748 T HN 0.653 nan 8.240 nan 0.000 0.442 749 K N 2.364 122.812 120.400 0.079 0.000 2.394 749 K HA 0.680 4.999 4.320 -0.001 0.000 0.260 749 K C -0.351 176.309 176.600 0.101 0.000 0.967 749 K CA -0.578 55.756 56.287 0.077 0.000 0.855 749 K CB 0.986 33.525 32.500 0.065 0.000 1.101 749 K HN 0.787 nan 8.250 nan 0.000 0.433 750 G N 2.174 111.031 108.800 0.095 0.000 2.658 750 G HA2 0.178 4.137 3.960 -0.001 0.000 0.292 750 G HA3 0.178 4.137 3.960 -0.001 0.000 0.292 750 G C -0.258 174.688 174.900 0.077 0.000 1.320 750 G CA -0.611 44.546 45.100 0.095 0.000 0.933 750 G HN 0.650 nan 8.290 nan 0.000 0.476 751 K N -0.261 120.180 120.400 0.069 0.000 2.103 751 K HA 0.127 4.446 4.320 -0.001 0.000 0.204 751 K C 1.716 178.353 176.600 0.062 0.000 1.052 751 K CA 0.935 57.258 56.287 0.061 0.000 0.945 751 K CB -0.128 32.404 32.500 0.054 0.000 0.722 751 K HN 0.440 nan 8.250 nan 0.000 0.443 752 L N -0.650 120.611 121.223 0.064 0.000 2.357 752 L HA 0.196 4.536 4.340 -0.001 0.000 0.211 752 L C 0.590 177.497 176.870 0.062 0.000 1.075 752 L CA 0.118 54.996 54.840 0.063 0.000 0.830 752 L CB 0.381 42.480 42.059 0.067 0.000 0.996 752 L HN 0.152 nan 8.230 nan 0.000 0.467 753 E N -0.298 119.944 120.200 0.069 0.000 2.321 753 E HA 0.392 4.741 4.350 -0.001 0.000 0.281 753 E C -1.485 175.162 176.600 0.078 0.000 0.910 753 E CA -0.221 56.221 56.400 0.069 0.000 0.770 753 E CB 2.159 31.899 29.700 0.066 0.000 1.225 753 E HN -0.132 nan 8.360 nan 0.000 0.417 754 S N 1.464 117.208 115.700 0.073 0.000 2.599 754 S HA 0.749 5.219 4.470 -0.001 0.000 0.294 754 S C -1.344 173.285 174.600 0.049 0.000 1.094 754 S CA -0.714 57.526 58.200 0.066 0.000 0.931 754 S CB 1.905 65.145 63.200 0.068 0.000 1.093 754 S HN 0.450 nan 8.310 nan 0.000 0.488 755 S N 0.816 116.523 115.700 0.012 0.000 2.537 755 S HA 0.654 5.124 4.470 -0.001 0.000 0.271 755 S C -1.937 172.583 174.600 -0.132 0.000 1.148 755 S CA -0.513 57.670 58.200 -0.028 0.000 0.868 755 S CB 1.099 64.307 63.200 0.013 0.000 1.115 755 S HN 0.448 nan 8.310 nan 0.000 0.461 756 V N 3.441 123.213 119.914 -0.236 0.000 2.409 756 V HA 0.691 4.811 4.120 -0.001 0.000 0.291 756 V C -0.382 175.586 176.094 -0.210 0.000 1.020 756 V CA -0.463 61.622 62.300 -0.358 0.000 0.848 756 V CB 1.540 32.829 31.823 -0.889 0.000 0.990 756 V HN 0.889 nan 8.190 nan 0.000 0.430 757 S N 3.317 118.950 115.700 -0.111 0.000 2.521 757 S HA 0.779 5.248 4.470 -0.001 0.000 0.295 757 S C -0.842 173.713 174.600 -0.076 0.000 1.098 757 S CA -0.610 57.536 58.200 -0.089 0.000 0.999 757 S CB 2.150 65.394 63.200 0.074 0.000 1.034 757 S HN 0.648 nan 8.310 nan 0.000 0.483 758 V N 2.038 121.795 119.914 -0.261 0.000 2.760 758 V HA 0.818 4.937 4.120 -0.001 0.000 0.309 758 V C -0.039 175.727 176.094 -0.546 0.000 1.077 758 V CA -0.433 61.731 62.300 -0.226 0.000 0.910 758 V CB 1.811 33.620 31.823 -0.023 0.000 1.008 758 V HN 0.996 nan 8.190 nan 0.000 0.424 759 G N 6.975 115.484 108.800 -0.484 0.000 2.663 759 G HA2 0.520 4.480 3.960 -0.001 0.000 0.320 759 G HA3 0.520 4.480 3.960 -0.001 0.000 0.320 759 G C -0.479 174.317 174.900 -0.173 0.000 0.937 759 G CA -0.326 44.526 45.100 -0.413 0.000 1.332 759 G HN 0.700 nan 8.290 nan 0.000 0.461 760 L N 2.525 123.599 121.223 -0.249 0.000 2.431 760 L HA 0.416 4.755 4.340 -0.001 0.000 0.260 760 L C -2.038 174.721 176.870 -0.184 0.000 1.098 760 L CA -2.309 52.408 54.840 -0.205 0.000 0.800 760 L CB 1.662 43.515 42.059 -0.344 0.000 1.210 760 L HN 0.196 nan 8.230 nan 0.000 0.465 761 P HA 0.153 nan 4.420 nan 0.000 0.276 761 P C -0.094 177.104 177.300 -0.170 0.000 1.243 761 P CA 0.185 63.210 63.100 -0.124 0.000 0.768 761 P CB 1.211 32.863 31.700 -0.080 0.000 0.856 762 S N -0.193 115.411 115.700 -0.161 0.000 2.857 762 S HA -0.104 4.365 4.470 -0.001 0.000 0.268 762 S C 0.191 174.675 174.600 -0.193 0.000 1.297 762 S CA 1.141 59.252 58.200 -0.149 0.000 1.280 762 S CB -1.615 61.523 63.200 -0.104 0.000 1.562 762 S HN 0.397 nan 8.310 nan 0.000 0.661 763 V N 1.314 121.056 119.914 -0.286 0.000 2.711 763 V HA 0.451 4.570 4.120 -0.001 0.000 0.304 763 V C -0.237 175.631 176.094 -0.376 0.000 1.097 763 V CA -0.808 61.286 62.300 -0.342 0.000 0.906 763 V CB 2.116 33.588 31.823 -0.584 0.000 1.015 763 V HN 0.113 nan 8.190 nan 0.000 0.427 764 V N 4.063 123.764 119.914 -0.355 0.000 2.368 764 V HA 0.321 4.441 4.120 -0.001 0.000 0.266 764 V C -0.181 175.707 176.094 -0.344 0.000 1.045 764 V CA -0.332 61.653 62.300 -0.525 0.000 0.899 764 V CB 0.811 32.203 31.823 -0.718 0.000 1.006 764 V HN 0.919 nan 8.190 nan 0.000 0.470 765 H N 4.545 123.366 119.070 -0.417 0.000 2.488 765 H HA 0.577 5.133 4.556 -0.001 0.000 0.322 765 H C -0.388 174.830 175.328 -0.183 0.000 1.078 765 H CA -0.166 55.740 56.048 -0.237 0.000 1.260 765 H CB 1.133 30.784 29.762 -0.184 0.000 1.425 765 H HN 0.689 nan 8.280 nan 0.000 0.471 766 Q N 4.002 123.509 119.800 -0.488 0.000 2.323 766 Q HA 0.370 4.709 4.340 -0.001 0.000 0.271 766 Q C -1.332 174.481 176.000 -0.312 0.000 1.048 766 Q CA -0.892 54.708 55.803 -0.339 0.000 0.792 766 Q CB 1.564 30.205 28.738 -0.162 0.000 1.280 766 Q HN 0.737 nan 8.270 nan 0.000 0.441 767 T N 5.022 119.467 114.554 -0.182 0.000 2.772 767 T HA 0.519 4.868 4.350 -0.001 0.000 0.288 767 T C -0.296 174.435 174.700 0.053 0.000 0.994 767 T CA -0.295 61.815 62.100 0.016 0.000 0.951 767 T CB 0.228 69.270 68.868 0.291 0.000 0.933 767 T HN 0.453 nan 8.240 nan 0.000 0.447 768 I N 3.755 124.367 120.570 0.070 0.000 2.404 768 I HA 0.502 4.672 4.170 -0.001 0.000 0.293 768 I C -0.261 175.911 176.117 0.092 0.000 0.992 768 I CA -0.785 60.555 61.300 0.067 0.000 1.149 768 I CB 1.727 39.756 38.000 0.048 0.000 1.315 768 I HN 0.392 nan 8.210 nan 0.000 0.446 769 M N 5.883 125.537 119.600 0.090 0.000 2.197 769 M HA 0.467 4.946 4.480 -0.001 0.000 0.301 769 M C 0.138 176.482 176.300 0.073 0.000 0.987 769 M CA -0.270 55.087 55.300 0.094 0.000 0.921 769 M CB 2.174 34.846 32.600 0.119 0.000 1.569 769 M HN 0.452 nan 8.290 nan 0.000 0.431 770 R N 1.209 121.746 120.500 0.061 0.000 2.565 770 R HA 0.391 4.730 4.340 -0.001 0.000 0.347 770 R C 0.833 177.161 176.300 0.048 0.000 1.010 770 R CA 0.255 56.385 56.100 0.050 0.000 1.126 770 R CB 1.075 31.398 30.300 0.037 0.000 1.331 770 R HN 1.130 nan 8.270 nan 0.000 0.552 771 G N -0.373 108.457 108.800 0.051 0.000 2.284 771 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.201 771 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.201 771 G C 0.311 175.233 174.900 0.036 0.000 0.998 771 G CA -0.408 44.719 45.100 0.044 0.000 0.651 771 G HN 0.516 nan 8.290 nan 0.000 0.489 772 G N -0.013 108.809 108.800 0.036 0.000 3.252 772 G HA2 0.791 4.750 3.960 -0.001 0.000 0.181 772 G HA3 0.791 4.750 3.960 -0.001 0.000 0.181 772 G C 0.432 175.352 174.900 0.033 0.000 1.187 772 G CA 0.450 45.567 45.100 0.028 0.000 0.886 772 G HN 1.524 nan 8.290 nan 0.000 0.615 773 A N 1.369 124.205 122.820 0.028 0.000 2.540 773 A HA 0.504 4.824 4.320 -0.001 0.000 0.239 773 A C -1.711 175.909 177.584 0.060 0.000 1.061 773 A CA -0.391 51.668 52.037 0.036 0.000 0.758 773 A CB -0.452 18.566 19.000 0.030 0.000 0.991 773 A HN 0.400 nan 8.150 nan 0.000 0.502 774 P HA 0.137 nan 4.420 nan 0.000 0.272 774 P C -0.487 176.882 177.300 0.116 0.000 1.230 774 P CA -0.205 62.959 63.100 0.108 0.000 0.788 774 P CB 0.666 32.453 31.700 0.145 0.000 0.949 775 E N 1.348 121.614 120.200 0.110 0.000 2.175 775 E HA 0.375 4.725 4.350 -0.001 0.000 0.278 775 E C -0.774 175.902 176.600 0.127 0.000 0.969 775 E CA -0.717 55.751 56.400 0.113 0.000 0.796 775 E CB 0.577 30.320 29.700 0.072 0.000 1.104 775 E HN 0.219 nan 8.360 nan 0.000 0.395 776 I N 4.200 124.879 120.570 0.181 0.000 2.404 776 I HA 0.406 4.576 4.170 -0.001 0.000 0.293 776 I C 0.008 176.244 176.117 0.198 0.000 0.992 776 I CA -0.608 60.778 61.300 0.142 0.000 1.149 776 I CB 1.283 39.379 38.000 0.160 0.000 1.315 776 I HN 0.561 nan 8.210 nan 0.000 0.446 777 R N 4.640 125.186 120.500 0.076 0.000 2.561 777 R HA 0.490 4.829 4.340 -0.001 0.000 0.297 777 R C -0.940 175.408 176.300 0.081 0.000 0.969 777 R CA -0.840 55.317 56.100 0.095 0.000 0.879 777 R CB 2.000 32.315 30.300 0.024 0.000 1.178 777 R HN 0.464 nan 8.270 nan 0.000 0.445 778 N N 2.656 121.464 118.700 0.179 0.000 2.443 778 N HA 0.196 4.936 4.740 -0.001 0.000 0.269 778 N C -1.292 174.231 175.510 0.022 0.000 0.985 778 N CA -0.696 52.438 53.050 0.139 0.000 0.921 778 N CB 1.870 40.545 38.487 0.313 0.000 1.195 778 N HN 0.314 nan 8.380 nan 0.000 0.492 779 L N 3.741 124.918 121.223 -0.076 0.000 2.268 779 L HA 0.376 4.715 4.340 -0.001 0.000 0.289 779 L C -0.982 175.818 176.870 -0.117 0.000 1.064 779 L CA -0.491 54.284 54.840 -0.108 0.000 0.824 779 L CB 0.480 42.462 42.059 -0.127 0.000 1.202 779 L HN 0.214 nan 8.230 nan 0.000 0.433 780 V N 4.547 124.396 119.914 -0.109 0.000 2.350 780 V HA 0.377 4.496 4.120 -0.001 0.000 0.276 780 V C -0.430 175.624 176.094 -0.066 0.000 1.028 780 V CA -0.503 61.750 62.300 -0.078 0.000 0.860 780 V CB 1.260 33.066 31.823 -0.029 0.000 0.990 780 V HN 0.688 nan 8.190 nan 0.000 0.453 781 D N 4.005 124.366 120.400 -0.065 0.000 2.375 781 D HA 0.262 4.902 4.640 -0.001 0.000 0.259 781 D C 0.554 176.829 176.300 -0.043 0.000 1.235 781 D CA -0.416 53.555 54.000 -0.048 0.000 0.924 781 D CB 1.324 42.091 40.800 -0.056 0.000 1.143 781 D HN 0.467 nan 8.370 nan 0.000 0.529 782 I N 2.377 122.938 120.570 -0.014 0.000 2.916 782 I HA 0.041 4.210 4.170 -0.001 0.000 0.267 782 I C 1.401 177.509 176.117 -0.014 0.000 1.263 782 I CA 1.137 62.434 61.300 -0.005 0.000 1.471 782 I CB -0.233 37.784 38.000 0.029 0.000 1.089 782 I HN 0.619 nan 8.210 nan 0.000 0.468 783 G N 0.869 109.658 108.800 -0.019 0.000 2.622 783 G HA2 -0.447 3.513 3.960 -0.001 0.000 0.307 783 G HA3 -0.447 3.513 3.960 -0.001 0.000 0.307 783 G C 0.601 175.497 174.900 -0.007 0.000 1.226 783 G CA 0.546 45.633 45.100 -0.023 0.000 0.997 783 G HN 0.693 nan 8.290 nan 0.000 0.551 784 S N -0.055 115.640 115.700 -0.009 0.000 2.583 784 S HA 0.542 5.011 4.470 -0.001 0.000 0.239 784 S C 0.788 175.392 174.600 0.007 0.000 0.966 784 S CA 0.041 58.242 58.200 0.003 0.000 0.973 784 S CB 0.065 63.267 63.200 0.004 0.000 0.794 784 S HN 0.674 nan 8.310 nan 0.000 0.463 785 L N 3.060 124.286 121.223 0.006 0.000 2.505 785 L HA 0.266 4.605 4.340 -0.001 0.000 0.279 785 L C -0.329 176.557 176.870 0.027 0.000 1.211 785 L CA -0.304 54.545 54.840 0.014 0.000 1.059 785 L CB -0.559 41.507 42.059 0.012 0.000 1.340 785 L HN 0.153 nan 8.230 nan 0.000 0.447 786 D N 2.878 123.295 120.400 0.028 0.000 2.382 786 D HA 0.011 4.651 4.640 -0.001 0.000 0.240 786 D C 0.681 177.007 176.300 0.043 0.000 1.146 786 D CA 0.157 54.177 54.000 0.034 0.000 0.897 786 D CB 0.363 41.181 40.800 0.030 0.000 1.197 786 D HN 0.321 nan 8.370 nan 0.000 0.432 787 N N 0.385 119.115 118.700 0.049 0.000 2.725 787 N HA -0.176 4.563 4.740 -0.001 0.000 0.251 787 N C -0.918 174.637 175.510 0.076 0.000 1.031 787 N CA 0.858 53.943 53.050 0.060 0.000 0.720 787 N CB -1.206 37.312 38.487 0.051 0.000 0.930 787 N HN 0.287 nan 8.380 nan 0.000 0.543 788 T N 0.435 115.037 114.554 0.080 0.000 2.916 788 T HA 0.415 4.765 4.350 -0.001 0.000 0.298 788 T C -0.313 174.454 174.700 0.113 0.000 1.031 788 T CA -0.727 61.431 62.100 0.098 0.000 0.993 788 T CB 2.346 71.257 68.868 0.072 0.000 1.045 788 T HN 0.036 nan 8.240 nan 0.000 0.454 789 E N 2.390 122.686 120.200 0.160 0.000 2.199 789 E HA 0.417 4.767 4.350 -0.001 0.000 0.265 789 E C -0.719 175.998 176.600 0.195 0.000 0.882 789 E CA -0.912 55.581 56.400 0.154 0.000 0.759 789 E CB 1.883 31.653 29.700 0.117 0.000 1.148 789 E HN 0.321 nan 8.360 nan 0.000 0.412 790 I N 2.913 123.581 120.570 0.164 0.000 2.331 790 I HA 0.249 4.418 4.170 -0.001 0.000 0.292 790 I C 0.055 176.304 176.117 0.220 0.000 0.998 790 I CA -0.620 60.788 61.300 0.180 0.000 1.267 790 I CB 1.231 39.326 38.000 0.158 0.000 1.386 790 I HN 0.289 nan 8.210 nan 0.000 0.476 791 V N 8.234 128.275 119.914 0.213 0.000 2.628 791 V HA 0.506 4.625 4.120 -0.001 0.000 0.306 791 V C -0.346 175.767 176.094 0.032 0.000 1.045 791 V CA -0.795 61.612 62.300 0.180 0.000 0.905 791 V CB 2.242 34.233 31.823 0.279 0.000 0.997 791 V HN 0.772 nan 8.190 nan 0.000 0.436 792 M N 7.398 126.940 119.600 -0.097 0.000 2.129 792 M HA 0.566 5.045 4.480 -0.001 0.000 0.348 792 M C -0.555 175.588 176.300 -0.261 0.000 1.116 792 M CA -0.408 54.601 55.300 -0.484 0.000 1.022 792 M CB 0.546 32.813 32.600 -0.555 0.000 1.599 792 M HN 0.753 nan 8.290 nan 0.000 0.449 793 R N 4.751 125.086 120.500 -0.274 0.000 2.637 793 R HA 0.691 5.030 4.340 -0.001 0.000 0.291 793 R C -1.966 174.239 176.300 -0.158 0.000 0.963 793 R CA -0.635 55.372 56.100 -0.155 0.000 0.901 793 R CB 1.512 31.736 30.300 -0.127 0.000 1.160 793 R HN 0.809 nan 8.270 nan 0.000 0.457 794 L N 3.335 124.448 121.223 -0.183 0.000 2.296 794 L HA 0.422 4.761 4.340 -0.001 0.000 0.286 794 L C -0.509 176.243 176.870 -0.196 0.000 1.023 794 L CA -0.406 54.255 54.840 -0.300 0.000 0.812 794 L CB 1.916 43.751 42.059 -0.374 0.000 1.223 794 L HN 0.606 nan 8.230 nan 0.000 0.421 795 E N 2.181 122.276 120.200 -0.175 0.000 2.158 795 E HA 0.501 4.851 4.350 -0.001 0.000 0.271 795 E C -0.569 175.953 176.600 -0.129 0.000 0.911 795 E CA -0.470 55.872 56.400 -0.096 0.000 0.767 795 E CB 2.125 31.812 29.700 -0.021 0.000 1.120 795 E HN 0.622 nan 8.360 nan 0.000 0.405 796 T N -1.055 113.431 114.554 -0.113 0.000 2.804 796 T HA 0.336 4.685 4.350 -0.001 0.000 0.290 796 T C 0.089 174.761 174.700 -0.046 0.000 1.099 796 T CA -0.698 61.305 62.100 -0.161 0.000 1.011 796 T CB 1.032 69.836 68.868 -0.106 0.000 1.291 796 T HN 0.583 nan 8.240 nan 0.000 0.523 797 H N -0.696 118.363 119.070 -0.017 0.000 2.505 797 H HA 0.436 4.992 4.556 -0.001 0.000 0.286 797 H C 0.058 175.384 175.328 -0.003 0.000 1.072 797 H CA -0.569 55.474 56.048 -0.008 0.000 1.141 797 H CB 0.089 29.846 29.762 -0.008 0.000 1.550 797 H HN 0.306 nan 8.280 nan 0.000 0.547 798 I N 1.679 122.310 120.570 0.101 0.000 2.556 798 I HA -0.102 4.068 4.170 -0.001 0.000 0.284 798 I C 0.455 176.614 176.117 0.070 0.000 1.114 798 I CA 0.133 61.474 61.300 0.069 0.000 1.418 798 I CB 0.593 38.622 38.000 0.048 0.000 1.394 798 I HN 0.185 nan 8.210 nan 0.000 0.552 799 D N 4.479 124.916 120.400 0.062 0.000 2.713 799 D HA 0.025 4.665 4.640 -0.001 0.000 0.229 799 D C 1.277 177.616 176.300 0.065 0.000 1.136 799 D CA -0.011 54.022 54.000 0.055 0.000 1.010 799 D CB 0.344 41.169 40.800 0.041 0.000 1.084 799 D HN 0.546 nan 8.370 nan 0.000 0.495 800 S N 0.245 115.990 115.700 0.075 0.000 2.470 800 S HA 0.225 4.694 4.470 -0.001 0.000 0.225 800 S C 1.589 176.240 174.600 0.085 0.000 1.006 800 S CA 0.352 58.609 58.200 0.096 0.000 0.934 800 S CB -0.204 63.064 63.200 0.114 0.000 0.778 800 S HN 0.530 nan 8.310 nan 0.000 0.517 801 G N 3.097 111.936 108.800 0.066 0.000 2.543 801 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.286 801 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.286 801 G C 0.093 175.034 174.900 0.069 0.000 1.153 801 G CA 0.517 45.652 45.100 0.058 0.000 0.968 801 G HN 0.763 nan 8.290 nan 0.000 0.544 802 D N 0.223 120.668 120.400 0.074 0.000 2.402 802 D HA 0.346 4.985 4.640 -0.001 0.000 0.216 802 D C 0.706 177.088 176.300 0.136 0.000 1.128 802 D CA -0.186 53.875 54.000 0.101 0.000 0.833 802 D CB 0.260 41.106 40.800 0.076 0.000 0.971 802 D HN 0.454 nan 8.370 nan 0.000 0.503 803 I N 1.452 122.088 120.570 0.111 0.000 2.460 803 I HA 0.494 4.663 4.170 -0.001 0.000 0.298 803 I C -0.280 175.924 176.117 0.146 0.000 0.989 803 I CA -1.029 60.285 61.300 0.023 0.000 1.173 803 I CB 0.734 38.716 38.000 -0.031 0.000 1.338 803 I HN -0.040 nan 8.210 nan 0.000 0.456 804 F N 4.458 124.231 119.950 -0.296 0.000 2.711 804 F HA 0.688 5.215 4.527 -0.001 0.000 0.313 804 F C -2.034 173.418 175.800 -0.579 0.000 1.141 804 F CA -1.416 56.433 58.000 -0.251 0.000 0.941 804 F CB 1.183 40.104 39.000 -0.132 0.000 1.349 804 F HN 0.182 nan 8.300 nan 0.000 0.464 805 Y N 0.023 120.102 120.300 -0.367 0.000 2.425 805 Y HA 0.687 5.236 4.550 -0.001 0.000 0.344 805 Y C 0.042 175.766 175.900 -0.294 0.000 0.969 805 Y CA -0.714 57.030 58.100 -0.593 0.000 1.052 805 Y CB 2.431 40.118 38.460 -1.288 0.000 1.215 805 Y HN 0.898 nan 8.280 nan 0.000 0.451 806 T N -1.375 113.098 114.554 -0.135 0.000 2.906 806 T HA 0.482 4.832 4.350 -0.001 0.000 0.295 806 T C -1.075 173.442 174.700 -0.304 0.000 1.075 806 T CA -1.068 60.972 62.100 -0.099 0.000 1.005 806 T CB 2.061 70.848 68.868 -0.136 0.000 1.136 806 T HN 0.592 nan 8.240 nan 0.000 0.498 807 D N 1.036 121.099 120.400 -0.562 0.000 2.340 807 D HA 0.373 5.012 4.640 -0.001 0.000 0.251 807 D C -0.640 175.389 176.300 -0.452 0.000 1.080 807 D CA -0.807 52.678 54.000 -0.859 0.000 0.971 807 D CB 1.325 41.352 40.800 -1.288 0.000 1.137 807 D HN 0.555 nan 8.370 nan 0.000 0.475 808 L N 0.951 121.951 121.223 -0.371 0.000 2.316 808 L HA 0.219 4.559 4.340 -0.001 0.000 0.280 808 L C -0.155 176.592 176.870 -0.206 0.000 1.006 808 L CA -0.780 53.934 54.840 -0.209 0.000 0.836 808 L CB 0.475 42.474 42.059 -0.099 0.000 1.221 808 L HN 0.464 nan 8.230 nan 0.000 0.418 809 N N 2.145 120.730 118.700 -0.192 0.000 2.725 809 N HA -0.228 4.511 4.740 -0.001 0.000 0.249 809 N C 0.984 176.286 175.510 -0.347 0.000 1.103 809 N CA 0.893 53.828 53.050 -0.192 0.000 0.707 809 N CB -1.024 37.429 38.487 -0.057 0.000 1.043 809 N HN 1.078 nan 8.380 nan 0.000 0.553 810 G N -1.600 106.993 108.800 -0.344 0.000 2.166 810 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.260 810 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.260 810 G C 0.624 175.499 174.900 -0.041 0.000 0.986 810 G CA 0.701 45.628 45.100 -0.289 0.000 0.683 810 G HN 0.494 nan 8.290 nan 0.000 0.527 811 L N -0.471 120.665 121.223 -0.144 0.000 2.500 811 L HA 0.498 4.837 4.340 -0.001 0.000 0.219 811 L C 0.955 177.707 176.870 -0.197 0.000 1.057 811 L CA 1.882 56.550 54.840 -0.286 0.000 0.854 811 L CB 0.176 41.906 42.059 -0.549 0.000 1.078 811 L HN 0.699 nan 8.230 nan 0.000 0.480 812 Q N -1.778 117.913 119.800 -0.181 0.000 2.522 812 Q HA 0.354 4.693 4.340 -0.001 0.000 0.285 812 Q C -1.689 174.203 176.000 -0.179 0.000 0.982 812 Q CA -0.738 55.024 55.803 -0.069 0.000 0.805 812 Q CB 1.075 29.829 28.738 0.027 0.000 1.457 812 Q HN -0.046 nan 8.270 nan 0.000 0.394 813 F N 1.313 121.219 119.950 -0.074 0.000 2.436 813 F HA 0.600 5.126 4.527 -0.001 0.000 0.340 813 F C -0.181 175.579 175.800 -0.068 0.000 1.113 813 F CA -0.834 57.132 58.000 -0.057 0.000 1.022 813 F CB 1.670 40.679 39.000 0.016 0.000 1.128 813 F HN 0.533 nan 8.300 nan 0.000 0.466 814 I N 3.855 124.426 120.570 0.001 0.000 2.474 814 I HA 0.336 4.505 4.170 -0.001 0.000 0.294 814 I C -0.493 175.484 176.117 -0.234 0.000 1.005 814 I CA -0.867 60.384 61.300 -0.081 0.000 1.113 814 I CB 1.277 39.182 38.000 -0.157 0.000 1.289 814 I HN 0.509 nan 8.210 nan 0.000 0.436 815 K N 6.760 126.979 120.400 -0.301 0.000 2.368 815 K HA 0.275 4.594 4.320 -0.001 0.000 0.282 815 K C -0.855 175.301 176.600 -0.739 0.000 1.035 815 K CA -0.379 55.457 56.287 -0.752 0.000 0.973 815 K CB 0.533 32.726 32.500 -0.512 0.000 0.957 815 K HN 0.508 nan 8.250 nan 0.000 0.474 816 R N 3.234 123.118 120.500 -1.026 0.000 2.664 816 R HA 0.350 4.689 4.340 -0.001 0.000 0.286 816 R C -0.525 175.288 176.300 -0.812 0.000 0.967 816 R CA -0.790 54.642 56.100 -1.113 0.000 0.933 816 R CB 1.545 30.642 30.300 -2.005 0.000 1.146 816 R HN 0.672 nan 8.270 nan 0.000 0.468 817 R N 1.554 121.787 120.500 -0.446 0.000 2.476 817 R HA 0.291 4.631 4.340 -0.001 0.000 0.305 817 R C -0.481 175.859 176.300 0.066 0.000 0.965 817 R CA -0.663 55.350 56.100 -0.145 0.000 0.867 817 R CB 1.520 31.775 30.300 -0.075 0.000 1.176 817 R HN 0.538 nan 8.270 nan 0.000 0.447 818 R N 4.864 125.508 120.500 0.241 0.000 2.522 818 R HA 0.119 4.458 4.340 -0.001 0.000 0.284 818 R C -0.964 175.420 176.300 0.140 0.000 1.032 818 R CA 0.244 56.516 56.100 0.287 0.000 1.049 818 R CB 0.401 30.855 30.300 0.256 0.000 0.956 818 R HN 0.543 nan 8.270 nan 0.000 0.422 819 L N 4.941 126.224 121.223 0.100 0.000 2.342 819 L HA 0.225 4.565 4.340 -0.001 0.000 0.276 819 L C 0.141 177.003 176.870 -0.014 0.000 0.997 819 L CA -0.695 54.160 54.840 0.025 0.000 0.838 819 L CB 1.998 44.043 42.059 -0.024 0.000 1.224 819 L HN 0.651 nan 8.230 nan 0.000 0.416 820 D N 1.606 122.005 120.400 -0.001 0.000 2.348 820 D HA -0.111 4.528 4.640 -0.001 0.000 0.216 820 D C 1.674 177.956 176.300 -0.030 0.000 0.970 820 D CA 0.777 54.771 54.000 -0.009 0.000 0.889 820 D CB 0.367 41.171 40.800 0.007 0.000 0.912 820 D HN 0.562 nan 8.370 nan 0.000 0.524 821 K N 0.228 120.601 120.400 -0.045 0.000 2.486 821 K HA 0.026 4.346 4.320 -0.001 0.000 0.194 821 K C 0.690 177.226 176.600 -0.106 0.000 1.033 821 K CA 0.317 56.575 56.287 -0.049 0.000 1.004 821 K CB 0.359 32.844 32.500 -0.026 0.000 0.798 821 K HN 0.103 nan 8.250 nan 0.000 0.495 822 L N 2.240 123.361 121.223 -0.169 0.000 2.322 822 L HA 0.466 4.805 4.340 -0.001 0.000 0.269 822 L C -2.251 174.510 176.870 -0.182 0.000 1.012 822 L CA -2.916 51.782 54.840 -0.237 0.000 0.815 822 L CB 1.424 43.238 42.059 -0.407 0.000 1.295 822 L HN -0.055 nan 8.230 nan 0.000 0.438 823 P HA 0.031 nan 4.420 nan 0.000 0.272 823 P C 0.856 178.028 177.300 -0.213 0.000 1.240 823 P CA -0.382 62.619 63.100 -0.165 0.000 0.791 823 P CB 1.243 32.873 31.700 -0.117 0.000 0.978 824 L N 0.887 122.015 121.223 -0.159 0.000 2.021 824 L HA -0.284 4.055 4.340 -0.001 0.000 0.215 824 L C 2.528 179.306 176.870 -0.154 0.000 1.074 824 L CA 1.962 56.729 54.840 -0.122 0.000 0.760 824 L CB -0.642 41.342 42.059 -0.125 0.000 0.889 824 L HN 0.441 nan 8.230 nan 0.000 0.433 825 Q N -0.345 119.258 119.800 -0.328 0.000 2.291 825 Q HA -0.173 4.167 4.340 -0.001 0.000 0.206 825 Q C 1.877 177.779 176.000 -0.164 0.000 0.976 825 Q CA 1.506 57.155 55.803 -0.256 0.000 0.875 825 Q CB -0.530 27.987 28.738 -0.368 0.000 0.927 825 Q HN 0.610 nan 8.270 nan 0.000 0.450 826 A N 1.489 123.990 122.820 -0.531 0.000 2.066 826 A HA -0.050 4.269 4.320 -0.001 0.000 0.218 826 A C 1.655 179.052 177.584 -0.311 0.000 1.157 826 A CA 0.803 52.369 52.037 -0.785 0.000 0.670 826 A CB -0.205 17.960 19.000 -1.391 0.000 0.804 826 A HN 0.349 nan 8.150 nan 0.000 0.453 827 N N -1.200 117.432 118.700 -0.114 0.000 2.398 827 N HA 0.048 4.787 4.740 -0.001 0.000 0.188 827 N C -0.828 174.771 175.510 0.148 0.000 1.122 827 N CA 0.215 53.314 53.050 0.081 0.000 0.866 827 N CB 0.046 38.629 38.487 0.160 0.000 0.970 827 N HN 0.452 nan 8.380 nan 0.000 0.462 828 Y N 0.302 120.558 120.300 -0.075 0.000 2.304 828 Y HA 0.200 4.749 4.550 -0.001 0.000 0.328 828 Y C -0.178 175.667 175.900 -0.092 0.000 1.123 828 Y CA -0.144 57.994 58.100 0.064 0.000 1.218 828 Y CB 0.356 38.924 38.460 0.180 0.000 1.207 828 Y HN -0.069 nan 8.280 nan 0.000 0.495 829 Y N 3.254 123.682 120.300 0.213 0.000 2.605 829 Y HA 0.462 5.011 4.550 -0.001 0.000 0.343 829 Y C -2.298 173.302 175.900 -0.501 0.000 1.036 829 Y CA -2.910 55.173 58.100 -0.029 0.000 1.065 829 Y CB 1.488 39.919 38.460 -0.048 0.000 1.288 829 Y HN 0.440 nan 8.280 nan 0.000 0.481 830 P HA 0.135 nan 4.420 nan 0.000 0.271 830 P C -0.691 176.366 177.300 -0.405 0.000 1.216 830 P CA 0.214 62.724 63.100 -0.983 0.000 0.776 830 P CB 0.577 31.607 31.700 -1.116 0.000 0.881 831 I N 4.680 125.093 120.570 -0.261 0.000 2.697 831 I HA 0.171 4.341 4.170 -0.001 0.000 0.279 831 I C -1.729 174.313 176.117 -0.125 0.000 1.171 831 I CA -2.485 58.734 61.300 -0.135 0.000 1.135 831 I CB 0.815 38.793 38.000 -0.038 0.000 1.445 831 I HN 0.198 nan 8.210 nan 0.000 0.541 832 P HA -0.051 nan 4.420 nan 0.000 0.221 832 P C 1.036 178.299 177.300 -0.062 0.000 1.150 832 P CA 1.199 64.222 63.100 -0.128 0.000 0.800 832 P CB 0.598 32.193 31.700 -0.174 0.000 0.787 833 S N -3.483 112.184 115.700 -0.054 0.000 2.615 833 S HA 0.471 4.940 4.470 -0.001 0.000 0.277 833 S C 0.553 175.236 174.600 0.138 0.000 1.068 833 S CA 0.321 58.546 58.200 0.042 0.000 1.315 833 S CB 0.315 63.562 63.200 0.078 0.000 1.193 833 S HN 0.331 nan 8.310 nan 0.000 0.656 834 G N 1.509 110.393 108.800 0.140 0.000 2.368 834 G HA2 0.554 4.513 3.960 -0.001 0.000 0.293 834 G HA3 0.554 4.513 3.960 -0.001 0.000 0.293 834 G C -1.504 173.639 174.900 0.404 0.000 1.467 834 G CA -0.426 44.882 45.100 0.347 0.000 0.804 834 G HN 0.890 nan 8.290 nan 0.000 0.535 835 M N -0.728 119.135 119.600 0.438 0.000 2.603 835 M HA 0.889 5.368 4.480 -0.001 0.000 0.275 835 M C -1.727 174.811 176.300 0.396 0.000 1.226 835 M CA -1.022 54.495 55.300 0.362 0.000 0.870 835 M CB 2.543 35.264 32.600 0.201 0.000 1.716 835 M HN 1.247 nan 8.290 nan 0.000 0.482 836 F N 0.817 120.911 119.950 0.240 0.000 2.693 836 F HA 0.891 5.417 4.527 -0.001 0.000 0.309 836 F C -1.818 174.113 175.800 0.218 0.000 1.129 836 F CA -1.213 56.867 58.000 0.134 0.000 0.948 836 F CB 1.045 40.038 39.000 -0.011 0.000 1.315 836 F HN 0.786 nan 8.300 nan 0.000 0.447 837 I N -0.045 120.764 120.570 0.398 0.000 2.740 837 I HA 0.903 5.073 4.170 -0.001 0.000 0.303 837 I C -1.332 174.971 176.117 0.310 0.000 1.044 837 I CA -0.872 60.624 61.300 0.326 0.000 1.064 837 I CB 2.381 40.486 38.000 0.175 0.000 1.249 837 I HN 0.949 nan 8.210 nan 0.000 0.433 838 E N 2.094 122.460 120.200 0.277 0.000 2.407 838 E HA 0.527 4.876 4.350 -0.001 0.000 0.279 838 E C -2.077 174.606 176.600 0.139 0.000 1.012 838 E CA -0.847 55.658 56.400 0.175 0.000 0.800 838 E CB 2.180 31.972 29.700 0.152 0.000 1.276 838 E HN 0.744 nan 8.360 nan 0.000 0.452 839 D N 0.663 121.114 120.400 0.085 0.000 2.784 839 D HA 0.467 5.107 4.640 -0.001 0.000 0.256 839 D C 0.914 177.243 176.300 0.048 0.000 1.129 839 D CA -0.185 53.857 54.000 0.070 0.000 1.102 839 D CB 0.082 40.916 40.800 0.056 0.000 1.330 839 D HN 0.453 nan 8.370 nan 0.000 0.626 840 A N -0.654 122.189 122.820 0.037 0.000 1.978 840 A HA -0.178 4.141 4.320 -0.001 0.000 0.220 840 A C 1.532 179.121 177.584 0.007 0.000 1.170 840 A CA 1.593 53.643 52.037 0.023 0.000 0.636 840 A CB -0.735 18.277 19.000 0.020 0.000 0.810 840 A HN 0.526 nan 8.150 nan 0.000 0.448 841 N N -1.712 116.992 118.700 0.006 0.000 2.397 841 N HA 0.067 4.806 4.740 -0.001 0.000 0.190 841 N C -0.360 175.140 175.510 -0.017 0.000 1.099 841 N CA 0.767 53.813 53.050 -0.007 0.000 0.876 841 N CB 0.590 39.075 38.487 -0.003 0.000 1.143 841 N HN 0.325 nan 8.380 nan 0.000 0.468 842 T N 0.474 115.024 114.554 -0.008 0.000 2.900 842 T HA 0.473 4.823 4.350 -0.001 0.000 0.295 842 T C -0.584 174.108 174.700 -0.014 0.000 1.044 842 T CA -0.659 61.430 62.100 -0.018 0.000 0.995 842 T CB 2.908 71.772 68.868 -0.007 0.000 1.072 842 T HN -0.039 nan 8.240 nan 0.000 0.473 843 R N 1.697 122.172 120.500 -0.042 0.000 2.686 843 R HA 0.733 5.072 4.340 -0.001 0.000 0.283 843 R C -2.045 174.229 176.300 -0.044 0.000 0.978 843 R CA -0.895 55.179 56.100 -0.043 0.000 0.897 843 R CB 1.336 31.544 30.300 -0.153 0.000 1.192 843 R HN 0.459 nan 8.270 nan 0.000 0.457 844 L N 2.664 123.891 121.223 0.006 0.000 2.372 844 L HA 0.500 4.839 4.340 -0.001 0.000 0.274 844 L C -1.375 175.531 176.870 0.060 0.000 0.988 844 L CA 0.085 54.923 54.840 -0.005 0.000 0.833 844 L CB 2.261 44.306 42.059 -0.024 0.000 1.236 844 L HN 0.645 nan 8.230 nan 0.000 0.410 845 T N 5.655 120.224 114.554 0.026 0.000 2.807 845 T HA 0.566 4.915 4.350 -0.001 0.000 0.279 845 T C -1.008 173.753 174.700 0.102 0.000 0.993 845 T CA -0.268 61.888 62.100 0.094 0.000 0.970 845 T CB 1.414 70.265 68.868 -0.028 0.000 0.950 845 T HN 0.463 nan 8.240 nan 0.000 0.441 846 L N 5.160 126.479 121.223 0.160 0.000 2.298 846 L HA 0.528 4.867 4.340 -0.001 0.000 0.284 846 L C -1.259 175.754 176.870 0.238 0.000 1.013 846 L CA -0.701 54.243 54.840 0.175 0.000 0.824 846 L CB 0.490 42.633 42.059 0.139 0.000 1.221 846 L HN 0.408 nan 8.230 nan 0.000 0.418 847 L N 3.880 125.245 121.223 0.236 0.000 2.343 847 L HA 0.634 4.974 4.340 -0.001 0.000 0.275 847 L C 0.561 177.575 176.870 0.239 0.000 1.056 847 L CA -0.237 54.740 54.840 0.228 0.000 0.804 847 L CB 1.365 43.525 42.059 0.168 0.000 1.203 847 L HN 0.766 nan 8.230 nan 0.000 0.440 848 T N -2.336 112.312 114.554 0.157 0.000 2.908 848 T HA 0.624 4.974 4.350 -0.001 0.000 0.290 848 T C 0.660 175.318 174.700 -0.070 0.000 1.034 848 T CA -0.277 61.830 62.100 0.011 0.000 1.010 848 T CB 1.964 70.845 68.868 0.022 0.000 1.068 848 T HN 0.674 nan 8.240 nan 0.000 0.481 849 G N 1.092 109.775 108.800 -0.195 0.000 3.337 849 G HA2 0.419 4.379 3.960 -0.001 0.000 0.246 849 G HA3 0.419 4.379 3.960 -0.001 0.000 0.246 849 G C 0.144 174.974 174.900 -0.115 0.000 1.131 849 G CA -0.321 44.697 45.100 -0.137 0.000 0.773 849 G HN 0.953 nan 8.290 nan 0.000 0.544 850 Q N -0.152 119.575 119.800 -0.121 0.000 2.479 850 Q HA 0.314 4.654 4.340 -0.001 0.000 0.276 850 Q C -3.538 172.421 176.000 -0.068 0.000 0.989 850 Q CA -2.285 53.473 55.803 -0.074 0.000 0.864 850 Q CB 1.827 30.538 28.738 -0.046 0.000 1.444 850 Q HN -0.007 nan 8.270 nan 0.000 0.388 851 P HA 0.481 nan 4.420 nan 0.000 0.281 851 P C -0.708 176.576 177.300 -0.027 0.000 1.252 851 P CA -0.180 62.899 63.100 -0.035 0.000 0.778 851 P CB 1.005 32.690 31.700 -0.024 0.000 0.895 852 L N 1.609 122.811 121.223 -0.036 0.000 2.479 852 L HA 0.654 4.993 4.340 -0.001 0.000 0.255 852 L C 0.731 177.614 176.870 0.022 0.000 1.026 852 L CA -1.129 53.713 54.840 0.002 0.000 0.842 852 L CB 2.153 44.200 42.059 -0.021 0.000 1.444 852 L HN 0.343 nan 8.230 nan 0.000 0.409 853 G N -0.832 108.038 108.800 0.117 0.000 2.448 853 G HA2 0.666 4.625 3.960 -0.001 0.000 0.285 853 G HA3 0.666 4.625 3.960 -0.001 0.000 0.285 853 G C -0.434 174.489 174.900 0.040 0.000 1.176 853 G CA 0.157 45.377 45.100 0.199 0.000 0.852 853 G HN 0.873 nan 8.290 nan 0.000 0.530 854 G N -1.410 107.228 108.800 -0.270 0.000 2.600 854 G HA2 0.685 4.645 3.960 -0.001 0.000 0.293 854 G HA3 0.685 4.645 3.960 -0.001 0.000 0.293 854 G C -1.161 173.292 174.900 -0.745 0.000 1.408 854 G CA 0.432 45.185 45.100 -0.578 0.000 0.782 854 G HN 1.279 nan 8.290 nan 0.000 0.482 855 S N -1.931 113.401 115.700 -0.614 0.000 2.683 855 S HA 0.715 5.185 4.470 -0.001 0.000 0.269 855 S C -1.570 172.598 174.600 -0.719 0.000 1.165 855 S CA 0.354 58.197 58.200 -0.595 0.000 0.840 855 S CB 1.267 64.178 63.200 -0.482 0.000 1.169 855 S HN 1.579 nan 8.310 nan 0.000 0.490 856 S N 1.644 116.643 115.700 -1.168 0.000 2.664 856 S HA 0.465 4.934 4.470 -0.001 0.000 0.262 856 S C 0.144 174.492 174.600 -0.421 0.000 1.229 856 S CA -0.623 57.129 58.200 -0.745 0.000 1.151 856 S CB -0.102 62.580 63.200 -0.863 0.000 1.054 856 S HN 0.572 nan 8.310 nan 0.000 0.483 857 L N 3.024 124.140 121.223 -0.178 0.000 2.591 857 L HA 0.480 4.820 4.340 -0.001 0.000 0.228 857 L C 0.887 177.747 176.870 -0.016 0.000 1.133 857 L CA 0.315 55.129 54.840 -0.043 0.000 0.880 857 L CB -0.069 42.022 42.059 0.055 0.000 1.033 857 L HN 0.693 nan 8.230 nan 0.000 0.450 858 A N -1.287 121.511 122.820 -0.037 0.000 2.612 858 A HA 0.461 4.780 4.320 -0.001 0.000 0.293 858 A C -0.467 177.112 177.584 -0.007 0.000 1.075 858 A CA -0.454 51.580 52.037 -0.005 0.000 0.680 858 A CB 1.180 20.184 19.000 0.007 0.000 1.279 858 A HN -0.146 nan 8.150 nan 0.000 0.411 859 S N -0.183 115.528 115.700 0.017 0.000 2.558 859 S HA 0.402 4.871 4.470 -0.001 0.000 0.293 859 S C 1.534 176.150 174.600 0.027 0.000 1.292 859 S CA 1.888 60.105 58.200 0.029 0.000 1.063 859 S CB -0.011 63.212 63.200 0.038 0.000 0.831 859 S HN 2.656 nan 8.310 nan 0.000 0.499 860 G N 3.394 112.212 108.800 0.030 0.000 2.205 860 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.261 860 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.261 860 G C -0.147 174.744 174.900 -0.016 0.000 0.980 860 G CA 0.496 45.610 45.100 0.024 0.000 0.632 860 G HN 0.718 nan 8.290 nan 0.000 0.533 861 E N -0.515 119.663 120.200 -0.038 0.000 2.212 861 E HA 0.782 5.132 4.350 -0.001 0.000 0.270 861 E C -0.253 176.280 176.600 -0.112 0.000 0.956 861 E CA -0.758 55.597 56.400 -0.075 0.000 0.825 861 E CB 1.839 31.495 29.700 -0.073 0.000 1.167 861 E HN 0.234 nan 8.360 nan 0.000 0.400 862 L N 1.625 122.776 121.223 -0.119 0.000 2.401 862 L HA 0.459 4.798 4.340 -0.001 0.000 0.266 862 L C -0.674 176.123 176.870 -0.122 0.000 0.991 862 L CA -0.613 54.148 54.840 -0.131 0.000 0.818 862 L CB 2.044 44.057 42.059 -0.078 0.000 1.321 862 L HN 0.672 nan 8.230 nan 0.000 0.413 863 E N 3.021 123.142 120.200 -0.132 0.000 2.390 863 E HA 0.714 5.064 4.350 -0.001 0.000 0.277 863 E C -1.541 175.013 176.600 -0.077 0.000 0.939 863 E CA -0.853 55.502 56.400 -0.075 0.000 0.769 863 E CB 3.387 33.088 29.700 0.002 0.000 1.251 863 E HN 0.526 nan 8.360 nan 0.000 0.450 864 I N 2.053 122.615 120.570 -0.014 0.000 2.610 864 I HA 0.321 4.490 4.170 -0.001 0.000 0.289 864 I C -1.424 174.755 176.117 0.103 0.000 1.163 864 I CA -1.131 60.183 61.300 0.023 0.000 1.044 864 I CB 1.959 39.974 38.000 0.025 0.000 1.251 864 I HN 0.779 nan 8.210 nan 0.000 0.424 865 M N 6.297 125.995 119.600 0.163 0.000 2.228 865 M HA 0.218 4.697 4.480 -0.001 0.000 0.351 865 M C 0.582 176.975 176.300 0.155 0.000 1.233 865 M CA 0.625 56.028 55.300 0.171 0.000 1.129 865 M CB 0.921 33.598 32.600 0.128 0.000 1.604 865 M HN 0.579 nan 8.290 nan 0.000 0.457 866 Q N 1.444 121.369 119.800 0.208 0.000 2.287 866 Q HA 0.251 4.591 4.340 -0.001 0.000 0.201 866 Q C -0.245 175.955 176.000 0.333 0.000 0.946 866 Q CA 0.829 56.819 55.803 0.311 0.000 0.868 866 Q CB 0.363 29.318 28.738 0.362 0.000 0.967 866 Q HN 0.766 nan 8.270 nan 0.000 0.516 867 D N -0.907 119.624 120.400 0.218 0.000 2.671 867 D HA 0.292 4.932 4.640 -0.001 0.000 0.273 867 D C -1.427 174.942 176.300 0.115 0.000 1.264 867 D CA -0.495 53.611 54.000 0.177 0.000 0.788 867 D CB 1.466 42.364 40.800 0.162 0.000 1.324 867 D HN 0.037 nan 8.370 nan 0.000 0.424 868 R N 0.802 121.359 120.500 0.095 0.000 2.584 868 R HA 0.689 5.029 4.340 -0.001 0.000 0.276 868 R C -1.055 175.288 176.300 0.072 0.000 1.046 868 R CA -1.055 55.085 56.100 0.067 0.000 0.906 868 R CB 2.135 32.446 30.300 0.019 0.000 1.215 868 R HN 0.327 nan 8.270 nan 0.000 0.449 869 R N 3.751 124.291 120.500 0.067 0.000 2.483 869 R HA 0.462 4.802 4.340 -0.001 0.000 0.303 869 R C -1.494 174.840 176.300 0.057 0.000 0.987 869 R CA -0.565 55.571 56.100 0.060 0.000 0.881 869 R CB 1.288 31.620 30.300 0.054 0.000 1.177 869 R HN 0.716 nan 8.270 nan 0.000 0.451 870 L N 4.057 125.312 121.223 0.053 0.000 2.376 870 L HA 0.518 4.858 4.340 -0.001 0.000 0.275 870 L C 0.722 177.618 176.870 0.042 0.000 0.987 870 L CA -0.564 54.306 54.840 0.049 0.000 0.828 870 L CB 2.131 44.219 42.059 0.049 0.000 1.249 870 L HN 0.810 nan 8.230 nan 0.000 0.409 871 A N 1.668 124.511 122.820 0.038 0.000 2.067 871 A HA 0.143 4.463 4.320 -0.001 0.000 0.217 871 A C 1.009 178.610 177.584 0.029 0.000 1.156 871 A CA 0.602 52.659 52.037 0.032 0.000 0.683 871 A CB 0.034 19.051 19.000 0.029 0.000 0.808 871 A HN 0.611 nan 8.150 nan 0.000 0.455 872 S N -0.058 115.659 115.700 0.029 0.000 2.654 872 S HA 0.407 4.876 4.470 -0.001 0.000 0.283 872 S C -0.540 174.077 174.600 0.029 0.000 1.180 872 S CA -0.592 57.623 58.200 0.025 0.000 1.021 872 S CB 1.372 64.583 63.200 0.019 0.000 1.018 872 S HN 0.508 nan 8.310 nan 0.000 0.532 873 D N -0.004 120.413 120.400 0.028 0.000 2.264 873 D HA 0.265 4.905 4.640 -0.001 0.000 0.249 873 D C -0.140 176.176 176.300 0.026 0.000 1.070 873 D CA -0.557 53.467 54.000 0.039 0.000 0.912 873 D CB 0.774 41.598 40.800 0.040 0.000 1.193 873 D HN 0.471 nan 8.370 nan 0.000 0.427 874 D N 1.889 122.309 120.400 0.034 0.000 2.427 874 D HA 0.050 4.689 4.640 -0.001 0.000 0.224 874 D C -0.370 175.900 176.300 -0.050 0.000 1.157 874 D CA -0.257 53.732 54.000 -0.018 0.000 0.828 874 D CB -0.509 40.265 40.800 -0.044 0.000 0.974 874 D HN 0.675 nan 8.370 nan 0.000 0.498 875 E N -0.253 119.942 120.200 -0.008 0.000 2.476 875 E HA -0.233 4.116 4.350 -0.001 0.000 0.251 875 E C 0.442 177.020 176.600 -0.036 0.000 1.130 875 E CA 0.141 56.534 56.400 -0.011 0.000 0.736 875 E CB -0.629 29.058 29.700 -0.022 0.000 1.298 875 E HN 0.207 nan 8.360 nan 0.000 0.400 876 R N -0.802 119.666 120.500 -0.054 0.000 2.437 876 R HA 0.187 4.527 4.340 -0.001 0.000 0.257 876 R C 1.485 177.856 176.300 0.118 0.000 0.927 876 R CA 0.849 56.869 56.100 -0.135 0.000 1.078 876 R CB 1.196 31.092 30.300 -0.673 0.000 1.161 876 R HN 0.429 nan 8.270 nan 0.000 0.529 877 G N 0.716 109.650 108.800 0.224 0.000 2.229 877 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.189 877 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.189 877 G C 0.690 175.740 174.900 0.249 0.000 1.000 877 G CA 0.159 45.463 45.100 0.339 0.000 0.663 877 G HN 0.253 nan 8.290 nan 0.000 0.493 878 L N 1.553 122.994 121.223 0.364 0.000 2.141 878 L HA 0.460 4.799 4.340 -0.001 0.000 0.209 878 L C 2.139 179.000 176.870 -0.015 0.000 1.094 878 L CA 2.638 57.566 54.840 0.148 0.000 0.763 878 L CB -0.499 41.803 42.059 0.404 0.000 0.908 878 L HN 1.653 nan 8.230 nan 0.000 0.437 879 G N -0.379 108.448 108.800 0.046 0.000 2.176 879 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.252 879 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.252 879 G C 0.061 174.969 174.900 0.013 0.000 1.024 879 G CA 0.636 45.742 45.100 0.011 0.000 0.755 879 G HN 0.811 nan 8.290 nan 0.000 0.507 880 Q N -2.129 117.692 119.800 0.036 0.000 2.633 880 Q HA 0.665 5.004 4.340 -0.001 0.000 0.289 880 Q C 0.385 176.413 176.000 0.047 0.000 0.940 880 Q CA -0.594 55.229 55.803 0.033 0.000 0.785 880 Q CB 0.402 29.156 28.738 0.027 0.000 1.467 880 Q HN 0.969 nan 8.270 nan 0.000 0.401 881 G N 0.059 108.883 108.800 0.041 0.000 2.531 881 G HA2 0.510 4.469 3.960 -0.001 0.000 0.253 881 G HA3 0.510 4.469 3.960 -0.001 0.000 0.253 881 G C -0.936 173.993 174.900 0.048 0.000 1.439 881 G CA -0.603 44.522 45.100 0.043 0.000 1.056 881 G HN 0.414 nan 8.290 nan 0.000 0.555 882 V N 0.855 120.799 119.914 0.050 0.000 2.305 882 V HA 0.342 4.461 4.120 -0.001 0.000 0.275 882 V C 0.064 176.193 176.094 0.059 0.000 1.020 882 V CA -0.157 62.179 62.300 0.060 0.000 0.811 882 V CB 0.911 32.773 31.823 0.064 0.000 1.031 882 V HN 0.541 nan 8.190 nan 0.000 0.439 883 L N 3.255 124.512 121.223 0.057 0.000 3.229 883 L HA 0.318 4.657 4.340 -0.001 0.000 0.286 883 L C 0.611 177.511 176.870 0.050 0.000 1.239 883 L CA 0.017 54.887 54.840 0.049 0.000 1.035 883 L CB 0.719 42.801 42.059 0.038 0.000 1.408 883 L HN 0.659 nan 8.230 nan 0.000 0.593 884 D N -1.994 118.445 120.400 0.064 0.000 2.525 884 D HA 0.051 4.691 4.640 -0.001 0.000 0.229 884 D C 0.140 176.486 176.300 0.075 0.000 1.202 884 D CA -0.444 53.596 54.000 0.066 0.000 0.828 884 D CB -0.411 40.436 40.800 0.078 0.000 1.008 884 D HN 0.081 nan 8.370 nan 0.000 0.493 885 N N 1.658 120.400 118.700 0.070 0.000 2.395 885 N HA 0.105 4.845 4.740 -0.001 0.000 0.246 885 N C 0.180 175.706 175.510 0.026 0.000 1.246 885 N CA 0.365 53.456 53.050 0.069 0.000 0.879 885 N CB 0.670 39.193 38.487 0.060 0.000 1.098 885 N HN 0.318 nan 8.380 nan 0.000 0.444 886 K N -0.198 120.206 120.400 0.007 0.000 2.512 886 K HA 0.561 4.880 4.320 -0.001 0.000 0.263 886 K C -3.238 173.341 176.600 -0.034 0.000 0.966 886 K CA -2.039 54.210 56.287 -0.065 0.000 0.851 886 K CB 1.270 33.651 32.500 -0.198 0.000 1.395 886 K HN 0.119 nan 8.250 nan 0.000 0.440 887 P HA -0.018 nan 4.420 nan 0.000 0.264 887 P C -1.028 176.296 177.300 0.040 0.000 1.193 887 P CA -0.415 62.669 63.100 -0.028 0.000 0.763 887 P CB 0.748 32.420 31.700 -0.047 0.000 0.810 888 V N 5.254 125.156 119.914 -0.020 0.000 2.760 888 V HA 0.459 4.579 4.120 -0.001 0.000 0.309 888 V C -1.280 174.682 176.094 -0.220 0.000 1.077 888 V CA -1.106 61.157 62.300 -0.062 0.000 0.910 888 V CB 2.082 33.848 31.823 -0.095 0.000 1.008 888 V HN 0.276 nan 8.190 nan 0.000 0.424 889 L N 7.172 128.292 121.223 -0.171 0.000 2.270 889 L HA 0.582 4.922 4.340 -0.001 0.000 0.286 889 L C -0.320 176.519 176.870 -0.051 0.000 1.059 889 L CA 0.161 54.933 54.840 -0.114 0.000 0.839 889 L CB 0.225 42.240 42.059 -0.073 0.000 1.221 889 L HN 0.696 nan 8.230 nan 0.000 0.431 890 H N 5.667 124.749 119.070 0.020 0.000 2.525 890 H HA 0.483 5.038 4.556 -0.001 0.000 0.339 890 H C -0.077 175.145 175.328 -0.176 0.000 1.109 890 H CA -0.196 55.805 56.048 -0.078 0.000 1.352 890 H CB 1.232 31.014 29.762 0.033 0.000 1.461 890 H HN 0.688 nan 8.280 nan 0.000 0.533 891 I N 0.141 120.540 120.570 -0.286 0.000 2.785 891 I HA 0.618 4.787 4.170 -0.001 0.000 0.302 891 I C -1.424 174.345 176.117 -0.579 0.000 1.069 891 I CA -0.956 60.192 61.300 -0.254 0.000 1.045 891 I CB 2.184 40.128 38.000 -0.094 0.000 1.236 891 I HN 0.249 nan 8.210 nan 0.000 0.429 892 Y N 2.298 122.641 120.300 0.072 0.000 2.638 892 Y HA 0.682 5.232 4.550 -0.001 0.000 0.335 892 Y C -0.653 175.295 175.900 0.080 0.000 1.155 892 Y CA -1.085 57.065 58.100 0.082 0.000 1.046 892 Y CB 1.582 40.111 38.460 0.115 0.000 1.303 892 Y HN 0.421 nan 8.280 nan 0.000 0.460 893 R N 1.393 122.049 120.500 0.261 0.000 2.686 893 R HA 0.617 4.956 4.340 -0.001 0.000 0.286 893 R C -1.912 174.498 176.300 0.183 0.000 0.969 893 R CA -1.150 55.057 56.100 0.178 0.000 0.898 893 R CB 2.600 32.964 30.300 0.107 0.000 1.183 893 R HN 0.643 nan 8.270 nan 0.000 0.456 894 L N 2.470 123.781 121.223 0.147 0.000 2.342 894 L HA 0.420 4.760 4.340 -0.001 0.000 0.276 894 L C -1.245 175.653 176.870 0.047 0.000 0.997 894 L CA -0.566 54.336 54.840 0.104 0.000 0.838 894 L CB 1.778 43.911 42.059 0.124 0.000 1.224 894 L HN 0.303 nan 8.230 nan 0.000 0.416 895 V N 6.160 126.085 119.914 0.019 0.000 2.350 895 V HA 0.417 4.536 4.120 -0.001 0.000 0.285 895 V C -0.343 175.725 176.094 -0.043 0.000 1.014 895 V CA -0.581 61.710 62.300 -0.014 0.000 0.831 895 V CB 1.407 33.214 31.823 -0.027 0.000 1.000 895 V HN 0.634 nan 8.190 nan 0.000 0.433 896 L N 5.581 126.775 121.223 -0.049 0.000 2.282 896 L HA 0.705 5.044 4.340 -0.001 0.000 0.288 896 L C -0.181 176.650 176.870 -0.065 0.000 1.033 896 L CA 0.585 55.388 54.840 -0.062 0.000 0.807 896 L CB 1.162 43.182 42.059 -0.065 0.000 1.209 896 L HN 0.748 nan 8.230 nan 0.000 0.423 897 E N 3.605 123.759 120.200 -0.076 0.000 2.383 897 E HA 0.441 4.791 4.350 -0.001 0.000 0.275 897 E C -1.292 175.264 176.600 -0.074 0.000 0.918 897 E CA -1.193 55.159 56.400 -0.080 0.000 0.764 897 E CB 1.512 31.149 29.700 -0.106 0.000 1.252 897 E HN 0.240 nan 8.360 nan 0.000 0.449 898 K N 1.448 121.808 120.400 -0.066 0.000 2.258 898 K HA 0.193 4.513 4.320 -0.001 0.000 0.284 898 K C 0.374 176.932 176.600 -0.069 0.000 1.051 898 K CA -0.172 56.080 56.287 -0.057 0.000 0.923 898 K CB 1.245 33.717 32.500 -0.047 0.000 1.046 898 K HN 0.485 nan 8.250 nan 0.000 0.474 899 V N -0.316 119.558 119.914 -0.066 0.000 3.253 899 V HA 0.025 4.144 4.120 -0.001 0.000 0.320 899 V C 1.192 177.253 176.094 -0.055 0.000 1.442 899 V CA -0.301 61.952 62.300 -0.078 0.000 1.097 899 V CB -0.312 31.448 31.823 -0.105 0.000 1.008 899 V HN 0.600 nan 8.190 nan 0.000 0.463 900 N N 1.553 120.229 118.700 -0.040 0.000 2.289 900 N HA -0.181 4.559 4.740 -0.001 0.000 0.184 900 N C 1.016 176.508 175.510 -0.031 0.000 1.016 900 N CA 1.658 54.691 53.050 -0.028 0.000 0.872 900 N CB -0.497 37.978 38.487 -0.021 0.000 0.973 900 N HN 0.533 nan 8.380 nan 0.000 0.433 901 N N 0.034 118.712 118.700 -0.038 0.000 2.336 901 N HA 0.077 4.816 4.740 -0.001 0.000 0.189 901 N C -0.265 175.217 175.510 -0.046 0.000 1.113 901 N CA -0.109 52.918 53.050 -0.038 0.000 0.858 901 N CB 0.062 38.526 38.487 -0.037 0.000 0.970 901 N HN 0.219 nan 8.380 nan 0.000 0.471 902 c N 1.125 119.691 118.600 -0.057 0.000 2.601 902 c HA 0.273 4.842 4.570 -0.001 0.000 0.409 902 c C 1.040 175.094 174.090 -0.059 0.000 1.293 902 c CA -0.915 55.373 56.329 -0.069 0.000 2.101 902 c CB 0.895 43.350 42.510 -0.092 0.000 2.639 902 c HN 0.010 nan 8.230 nan 0.000 0.592 903 V N 5.402 125.277 119.914 -0.064 0.000 2.356 903 V HA 0.226 4.346 4.120 -0.001 0.000 0.258 903 V C 0.608 176.667 176.094 -0.059 0.000 1.065 903 V CA 0.340 62.606 62.300 -0.056 0.000 0.935 903 V CB -0.600 31.185 31.823 -0.062 0.000 1.061 903 V HN 0.792 nan 8.190 nan 0.000 0.484 904 R N 4.553 125.030 120.500 -0.038 0.000 2.758 904 R HA 0.553 4.892 4.340 -0.001 0.000 0.265 904 R C -2.442 173.853 176.300 -0.009 0.000 1.016 904 R CA -1.855 54.230 56.100 -0.025 0.000 1.040 904 R CB 1.134 31.423 30.300 -0.018 0.000 1.152 904 R HN 0.393 nan 8.270 nan 0.000 0.503 905 P HA -0.037 nan 4.420 nan 0.000 0.271 905 P C -0.390 176.949 177.300 0.066 0.000 1.233 905 P CA -0.203 62.884 63.100 -0.021 0.000 0.789 905 P CB 0.564 32.174 31.700 -0.151 0.000 0.951 906 S N 0.751 116.519 115.700 0.114 0.000 2.596 906 S HA 0.090 4.559 4.470 -0.001 0.000 0.260 906 S C 1.041 175.723 174.600 0.136 0.000 1.336 906 S CA -0.181 58.087 58.200 0.113 0.000 0.993 906 S CB 0.312 63.580 63.200 0.114 0.000 0.923 906 S HN 0.305 nan 8.310 nan 0.000 0.567 907 K N 0.260 120.721 120.400 0.103 0.000 2.280 907 K HA 0.032 4.351 4.320 -0.001 0.000 0.202 907 K C 1.414 178.071 176.600 0.095 0.000 1.047 907 K CA 1.190 57.535 56.287 0.096 0.000 0.942 907 K CB -0.557 31.984 32.500 0.067 0.000 0.739 907 K HN 0.539 nan 8.250 nan 0.000 0.457 908 L N -0.002 121.280 121.223 0.098 0.000 2.592 908 L HA 0.052 4.392 4.340 -0.001 0.000 0.227 908 L C 0.995 177.920 176.870 0.091 0.000 1.127 908 L CA -0.259 54.624 54.840 0.071 0.000 0.884 908 L CB -0.202 41.883 42.059 0.043 0.000 1.065 908 L HN 0.244 nan 8.230 nan 0.000 0.457 909 H N 2.568 121.677 119.070 0.064 0.000 2.764 909 H HA 0.099 4.654 4.556 -0.001 0.000 0.341 909 H C -1.700 173.669 175.328 0.068 0.000 1.072 909 H CA -1.402 54.697 56.048 0.084 0.000 1.444 909 H CB 1.840 31.679 29.762 0.128 0.000 1.458 909 H HN -0.091 nan 8.280 nan 0.000 0.572 910 P HA 0.146 nan 4.420 nan 0.000 0.249 910 P C -0.404 177.008 177.300 0.187 0.000 1.229 910 P CA 0.187 63.331 63.100 0.073 0.000 0.788 910 P CB 0.507 32.175 31.700 -0.054 0.000 1.072 911 A N -0.332 122.766 122.820 0.463 0.000 2.299 911 A HA 0.760 5.079 4.320 -0.001 0.000 0.332 911 A C 0.241 177.883 177.584 0.095 0.000 1.131 911 A CA -0.327 51.843 52.037 0.223 0.000 0.844 911 A CB 1.095 20.211 19.000 0.193 0.000 1.251 911 A HN 0.159 nan 8.150 nan 0.000 0.486 912 G N -1.400 107.330 108.800 -0.117 0.000 2.658 912 G HA2 0.637 4.597 3.960 -0.001 0.000 0.292 912 G HA3 0.637 4.597 3.960 -0.001 0.000 0.292 912 G C -1.836 172.696 174.900 -0.613 0.000 1.320 912 G CA -0.406 44.537 45.100 -0.261 0.000 0.933 912 G HN 0.526 nan 8.290 nan 0.000 0.476 913 Y N -0.917 119.348 120.300 -0.058 0.000 2.524 913 Y HA 0.506 5.056 4.550 -0.001 0.000 0.347 913 Y C 0.320 175.985 175.900 -0.392 0.000 1.005 913 Y CA -0.852 57.147 58.100 -0.169 0.000 1.025 913 Y CB 2.032 40.384 38.460 -0.180 0.000 1.275 913 Y HN 0.346 nan 8.280 nan 0.000 0.460 914 L N 1.950 123.014 121.223 -0.263 0.000 2.466 914 L HA 0.426 4.765 4.340 -0.001 0.000 0.257 914 L C 0.667 177.387 176.870 -0.250 0.000 1.189 914 L CA -0.615 53.987 54.840 -0.396 0.000 0.813 914 L CB 0.941 42.844 42.059 -0.259 0.000 1.118 914 L HN 0.798 nan 8.230 nan 0.000 0.471 915 T N -2.687 111.710 114.554 -0.262 0.000 2.847 915 T HA 0.058 4.408 4.350 -0.001 0.000 0.279 915 T C 1.139 175.787 174.700 -0.086 0.000 0.984 915 T CA -0.176 61.821 62.100 -0.172 0.000 0.988 915 T CB 1.511 70.274 68.868 -0.175 0.000 1.040 915 T HN 0.613 nan 8.240 nan 0.000 0.528 916 S N 0.623 116.286 115.700 -0.062 0.000 2.365 916 S HA -0.168 4.301 4.470 -0.001 0.000 0.225 916 S C 2.330 176.937 174.600 0.011 0.000 1.039 916 S CA 1.564 59.759 58.200 -0.009 0.000 1.033 916 S CB -1.238 61.942 63.200 -0.033 0.000 0.887 916 S HN 0.927 nan 8.310 nan 0.000 0.447 917 A N 1.151 123.954 122.820 -0.027 0.000 1.933 917 A HA 0.245 4.565 4.320 -0.001 0.000 0.218 917 A C 2.473 180.048 177.584 -0.015 0.000 1.175 917 A CA 1.835 53.859 52.037 -0.022 0.000 0.628 917 A CB -1.326 17.652 19.000 -0.036 0.000 0.814 917 A HN 0.810 nan 8.150 nan 0.000 0.444 918 A N -1.370 121.429 122.820 -0.035 0.000 1.930 918 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 918 A C 2.109 179.717 177.584 0.040 0.000 1.175 918 A CA 1.597 53.618 52.037 -0.027 0.000 0.627 918 A CB -0.910 18.020 19.000 -0.118 0.000 0.815 918 A HN 0.781 nan 8.150 nan 0.000 0.443 919 H N -0.054 119.000 119.070 -0.027 0.000 2.357 919 H HA -0.041 4.515 4.556 -0.001 0.000 0.301 919 H C 1.837 177.196 175.328 0.052 0.000 1.082 919 H CA 1.757 57.825 56.048 0.032 0.000 1.342 919 H CB -0.026 29.749 29.762 0.021 0.000 1.389 919 H HN 0.432 nan 8.280 nan 0.000 0.511 920 K N 0.209 120.559 120.400 -0.082 0.000 2.097 920 K HA -0.068 4.251 4.320 -0.001 0.000 0.206 920 K C 2.374 178.931 176.600 -0.072 0.000 1.049 920 K CA 0.834 57.055 56.287 -0.109 0.000 0.933 920 K CB -0.018 32.466 32.500 -0.026 0.000 0.717 920 K HN 0.265 nan 8.250 nan 0.000 0.442 921 A N 0.829 123.632 122.820 -0.029 0.000 1.902 921 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 921 A C 2.200 179.781 177.584 -0.005 0.000 1.181 921 A CA 1.999 54.034 52.037 -0.003 0.000 0.623 921 A CB -0.650 18.363 19.000 0.022 0.000 0.818 921 A HN 0.278 nan 8.150 nan 0.000 0.443 922 S N -0.621 115.080 115.700 0.002 0.000 2.368 922 S HA -0.244 4.225 4.470 -0.001 0.000 0.225 922 S C 2.140 176.721 174.600 -0.032 0.000 1.030 922 S CA 1.767 59.984 58.200 0.028 0.000 0.999 922 S CB -0.413 62.852 63.200 0.108 0.000 0.844 922 S HN 0.678 nan 8.310 nan 0.000 0.459 923 Q N 0.592 120.326 119.800 -0.110 0.000 2.170 923 Q HA -0.089 4.251 4.340 -0.001 0.000 0.203 923 Q C 2.498 178.443 176.000 -0.092 0.000 0.976 923 Q CA 1.650 57.389 55.803 -0.106 0.000 0.858 923 Q CB -0.314 28.342 28.738 -0.138 0.000 0.907 923 Q HN 0.817 nan 8.270 nan 0.000 0.433 924 S N 0.260 115.916 115.700 -0.072 0.000 2.423 924 S HA -0.086 4.383 4.470 -0.001 0.000 0.231 924 S C 1.851 176.391 174.600 -0.099 0.000 1.014 924 S CA 0.702 58.858 58.200 -0.073 0.000 0.965 924 S CB -0.231 62.946 63.200 -0.039 0.000 0.785 924 S HN 0.281 nan 8.310 nan 0.000 0.495 925 L N 0.018 121.192 121.223 -0.083 0.000 2.127 925 L HA 0.218 4.557 4.340 -0.001 0.000 0.203 925 L C 2.519 179.300 176.870 -0.149 0.000 1.080 925 L CA 0.750 55.533 54.840 -0.095 0.000 0.768 925 L CB -0.374 41.652 42.059 -0.054 0.000 0.924 925 L HN 0.282 nan 8.230 nan 0.000 0.444 926 L N -1.185 119.954 121.223 -0.140 0.000 2.249 926 L HA 0.024 4.364 4.340 -0.001 0.000 0.207 926 L C 0.206 176.908 176.870 -0.280 0.000 1.090 926 L CA 0.787 55.522 54.840 -0.176 0.000 0.802 926 L CB 0.090 42.083 42.059 -0.110 0.000 0.947 926 L HN 0.203 nan 8.230 nan 0.000 0.453 927 D N 0.317 120.546 120.400 -0.285 0.000 2.613 927 D HA 0.227 4.867 4.640 -0.001 0.000 0.312 927 D C -2.329 173.728 176.300 -0.405 0.000 1.202 927 D CA -0.978 52.787 54.000 -0.391 0.000 0.825 927 D CB 1.246 42.015 40.800 -0.051 0.000 1.113 927 D HN 0.065 nan 8.370 nan 0.000 0.502 928 P HA 0.100 nan 4.420 nan 0.000 0.274 928 P C 0.585 177.746 177.300 -0.232 0.000 1.260 928 P CA -0.474 62.441 63.100 -0.307 0.000 0.793 928 P CB 1.510 33.036 31.700 -0.290 0.000 1.048 929 L N 0.771 121.928 121.223 -0.111 0.000 2.485 929 L HA 0.078 4.417 4.340 -0.001 0.000 0.275 929 L C 0.917 177.806 176.870 0.031 0.000 1.207 929 L CA 0.413 55.245 54.840 -0.013 0.000 0.855 929 L CB -0.322 41.745 42.059 0.013 0.000 1.114 929 L HN 0.287 nan 8.230 nan 0.000 0.485 930 D N 3.211 123.722 120.400 0.186 0.000 2.225 930 D HA 0.319 4.959 4.640 -0.001 0.000 0.249 930 D C -0.334 176.043 176.300 0.128 0.000 1.052 930 D CA -0.283 53.825 54.000 0.180 0.000 0.909 930 D CB 1.636 42.643 40.800 0.345 0.000 1.186 930 D HN 0.369 nan 8.370 nan 0.000 0.431 931 K N 1.393 121.751 120.400 -0.070 0.000 2.345 931 K HA 0.461 4.780 4.320 -0.001 0.000 0.255 931 K C -1.019 175.545 176.600 -0.059 0.000 0.934 931 K CA -0.647 55.697 56.287 0.095 0.000 0.801 931 K CB 1.538 34.047 32.500 0.016 0.000 1.137 931 K HN 0.225 nan 8.250 nan 0.000 0.424 932 F N 2.633 122.791 119.950 0.345 0.000 2.520 932 F HA 0.499 5.025 4.527 -0.001 0.000 0.322 932 F C 0.022 176.112 175.800 0.484 0.000 1.103 932 F CA -0.879 57.308 58.000 0.313 0.000 0.926 932 F CB 1.286 40.292 39.000 0.009 0.000 1.154 932 F HN 0.199 nan 8.300 nan 0.000 0.453 933 I N 3.527 124.484 120.570 0.645 0.000 2.362 933 I HA 0.215 4.385 4.170 -0.001 0.000 0.289 933 I C -0.589 175.812 176.117 0.474 0.000 0.994 933 I CA -0.846 60.752 61.300 0.497 0.000 1.158 933 I CB 1.287 39.477 38.000 0.316 0.000 1.315 933 I HN 0.439 nan 8.210 nan 0.000 0.451 934 F N 5.801 125.917 119.950 0.278 0.000 2.578 934 F HA 0.164 4.691 4.527 -0.001 0.000 0.376 934 F C 1.207 176.925 175.800 -0.137 0.000 1.085 934 F CA 0.166 58.031 58.000 -0.224 0.000 1.260 934 F CB 1.165 40.065 39.000 -0.168 0.000 1.095 934 F HN 0.606 nan 8.300 nan 0.000 0.573 935 A N 4.504 126.745 122.820 -0.966 0.000 1.930 935 A HA 0.028 4.347 4.320 -0.001 0.000 0.215 935 A C 0.972 178.297 177.584 -0.432 0.000 1.176 935 A CA 0.617 52.317 52.037 -0.561 0.000 0.632 935 A CB -0.500 18.148 19.000 -0.587 0.000 0.819 935 A HN 0.798 nan 8.150 nan 0.000 0.445 936 E N -0.483 119.314 120.200 -0.672 0.000 2.385 936 E HA 0.164 4.514 4.350 -0.001 0.000 0.254 936 E C 0.279 176.986 176.600 0.179 0.000 1.228 936 E CA -0.573 55.745 56.400 -0.138 0.000 0.956 936 E CB 0.231 29.913 29.700 -0.029 0.000 1.116 936 E HN 0.219 nan 8.360 nan 0.000 0.507 937 N N 0.438 119.257 118.700 0.197 0.000 2.216 937 N HA -0.079 4.660 4.740 -0.001 0.000 0.183 937 N C -0.271 175.397 175.510 0.263 0.000 1.017 937 N CA 0.926 54.102 53.050 0.209 0.000 0.861 937 N CB 0.202 38.768 38.487 0.131 0.000 0.986 937 N HN 0.435 nan 8.380 nan 0.000 0.428 938 E N -0.727 119.650 120.200 0.295 0.000 2.256 938 E HA 0.122 4.472 4.350 -0.001 0.000 0.268 938 E C -1.508 175.203 176.600 0.185 0.000 0.877 938 E CA -0.718 55.790 56.400 0.179 0.000 0.757 938 E CB 1.220 30.987 29.700 0.112 0.000 1.183 938 E HN 0.007 nan 8.360 nan 0.000 0.418 939 W N 7.833 128.849 121.300 -0.472 0.000 2.298 939 W HA 0.407 5.067 4.660 -0.001 0.000 0.327 939 W C -1.334 175.000 176.519 -0.308 0.000 0.988 939 W CA -1.456 55.464 57.345 -0.707 0.000 1.448 939 W CB -0.137 28.407 29.460 -1.527 0.000 1.243 939 W HN 0.466 nan 8.180 nan 0.000 0.388 940 I N 5.810 126.490 120.570 0.185 0.000 2.496 940 I HA 0.262 4.431 4.170 -0.001 0.000 0.285 940 I C 1.498 177.596 176.117 -0.032 0.000 1.080 940 I CA 1.169 62.492 61.300 0.038 0.000 1.404 940 I CB 0.587 38.639 38.000 0.085 0.000 1.403 940 I HN 0.772 nan 8.210 nan 0.000 0.539 941 G N 4.264 112.961 108.800 -0.172 0.000 2.141 941 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.242 941 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.242 941 G C 0.383 175.026 174.900 -0.429 0.000 0.982 941 G CA -0.113 44.865 45.100 -0.203 0.000 0.662 941 G HN 1.003 nan 8.290 nan 0.000 0.527 942 A N -0.338 121.974 122.820 -0.847 0.000 2.511 942 A HA 0.577 4.896 4.320 -0.001 0.000 0.242 942 A C 0.575 177.727 177.584 -0.719 0.000 1.069 942 A CA 0.760 51.937 52.037 -1.433 0.000 0.763 942 A CB 0.265 18.090 19.000 -1.959 0.000 1.001 942 A HN 0.615 nan 8.150 nan 0.000 0.498 943 Q N 0.702 120.159 119.800 -0.572 0.000 2.297 943 Q HA 0.524 4.863 4.340 -0.001 0.000 0.268 943 Q C 1.078 176.957 176.000 -0.202 0.000 1.045 943 Q CA -0.193 55.442 55.803 -0.279 0.000 0.861 943 Q CB 1.908 30.552 28.738 -0.158 0.000 1.344 943 Q HN 0.804 nan 8.270 nan 0.000 0.452 944 G N 0.026 108.748 108.800 -0.131 0.000 2.683 944 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.213 944 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.213 944 G C 0.171 175.042 174.900 -0.049 0.000 1.142 944 G CA 0.512 45.551 45.100 -0.102 0.000 0.793 944 G HN 0.435 nan 8.290 nan 0.000 0.534 945 Q N -1.372 118.416 119.800 -0.020 0.000 2.527 945 Q HA 0.512 4.851 4.340 -0.001 0.000 0.280 945 Q C -2.381 173.638 176.000 0.032 0.000 0.977 945 Q CA -0.914 54.893 55.803 0.006 0.000 0.837 945 Q CB 2.134 30.861 28.738 -0.019 0.000 1.454 945 Q HN 0.044 nan 8.270 nan 0.000 0.387 946 F N 1.075 120.934 119.950 -0.152 0.000 2.569 946 F HA 0.651 5.177 4.527 -0.001 0.000 0.312 946 F C 0.505 176.058 175.800 -0.412 0.000 1.109 946 F CA 0.463 58.307 58.000 -0.261 0.000 0.919 946 F CB 2.083 40.938 39.000 -0.241 0.000 1.211 946 F HN 0.675 nan 8.300 nan 0.000 0.446 947 G N 2.998 110.788 108.800 -1.683 0.000 2.157 947 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.239 947 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.239 947 G C 1.030 175.249 174.900 -1.134 0.000 0.982 947 G CA 0.247 44.112 45.100 -2.059 0.000 0.650 947 G HN 1.567 nan 8.290 nan 0.000 0.527 948 G N 1.154 109.587 108.800 -0.611 0.000 2.470 948 G HA2 0.025 3.984 3.960 -0.001 0.000 0.220 948 G HA3 0.025 3.984 3.960 -0.001 0.000 0.220 948 G C 1.224 176.060 174.900 -0.106 0.000 1.121 948 G CA 1.757 46.732 45.100 -0.207 0.000 0.766 948 G HN 0.830 nan 8.290 nan 0.000 0.553 949 D N -0.748 119.509 120.400 -0.239 0.000 2.340 949 D HA 0.021 4.661 4.640 -0.001 0.000 0.217 949 D C 0.307 176.606 176.300 -0.001 0.000 1.081 949 D CA -0.452 53.500 54.000 -0.079 0.000 0.842 949 D CB -0.847 39.914 40.800 -0.065 0.000 0.934 949 D HN 0.451 nan 8.370 nan 0.000 0.511 950 H N 0.942 119.909 119.070 -0.172 0.000 2.652 950 H HA 0.259 4.815 4.556 -0.001 0.000 0.349 950 H C -2.008 173.288 175.328 -0.053 0.000 1.099 950 H CA -1.828 54.141 56.048 -0.132 0.000 1.417 950 H CB 0.752 30.386 29.762 -0.213 0.000 1.457 950 H HN -0.024 nan 8.280 nan 0.000 0.568 951 P HA -0.051 nan 4.420 nan 0.000 0.268 951 P C -0.629 176.733 177.300 0.102 0.000 1.205 951 P CA 0.049 63.207 63.100 0.096 0.000 0.771 951 P CB 0.751 32.486 31.700 0.058 0.000 0.858 952 S N 2.209 118.000 115.700 0.152 0.000 2.415 952 S HA 0.578 5.047 4.470 -0.001 0.000 0.313 952 S C -0.020 174.668 174.600 0.147 0.000 1.067 952 S CA -0.582 57.733 58.200 0.192 0.000 1.099 952 S CB -0.665 62.761 63.200 0.377 0.000 0.991 952 S HN 0.487 nan 8.310 nan 0.000 0.491 953 A N 4.445 127.348 122.820 0.138 0.000 2.332 953 A HA 0.522 4.841 4.320 -0.001 0.000 0.258 953 A C 0.535 178.170 177.584 0.084 0.000 1.087 953 A CA -0.571 51.526 52.037 0.101 0.000 0.802 953 A CB 0.206 19.267 19.000 0.101 0.000 1.042 953 A HN 0.924 nan 8.150 nan 0.000 0.489 954 R N 0.121 120.640 120.500 0.033 0.000 2.697 954 R HA -0.050 4.289 4.340 -0.001 0.000 0.265 954 R C 1.445 177.742 176.300 -0.004 0.000 1.009 954 R CA 1.047 57.141 56.100 -0.010 0.000 1.099 954 R CB 0.325 30.609 30.300 -0.026 0.000 0.965 954 R HN 0.912 nan 8.270 nan 0.000 0.428 955 E N 1.724 121.882 120.200 -0.070 0.000 2.204 955 E HA -0.227 4.122 4.350 -0.001 0.000 0.195 955 E C 0.303 176.924 176.600 0.036 0.000 0.990 955 E CA 1.508 57.849 56.400 -0.098 0.000 0.821 955 E CB -0.075 29.541 29.700 -0.141 0.000 0.750 955 E HN 0.781 nan 8.360 nan 0.000 0.477 956 D N 0.662 121.048 120.400 -0.022 0.000 2.349 956 D HA -0.006 4.634 4.640 -0.001 0.000 0.224 956 D C 0.322 176.614 176.300 -0.013 0.000 1.029 956 D CA -0.100 53.850 54.000 -0.083 0.000 0.879 956 D CB -0.028 40.668 40.800 -0.173 0.000 0.906 956 D HN 0.176 nan 8.370 nan 0.000 0.528 957 L N 0.758 122.020 121.223 0.066 0.000 2.309 957 L HA 0.523 4.862 4.340 -0.001 0.000 0.282 957 L C -1.141 175.848 176.870 0.199 0.000 1.036 957 L CA -0.463 54.434 54.840 0.095 0.000 0.806 957 L CB 1.692 43.795 42.059 0.073 0.000 1.220 957 L HN -0.220 nan 8.230 nan 0.000 0.429 958 D N 2.420 122.958 120.400 0.230 0.000 2.671 958 D HA 0.368 5.007 4.640 -0.001 0.000 0.232 958 D C -1.325 175.130 176.300 0.258 0.000 1.114 958 D CA -0.258 53.901 54.000 0.265 0.000 0.858 958 D CB 2.431 43.434 40.800 0.339 0.000 1.544 958 D HN 0.235 nan 8.370 nan 0.000 0.471 959 V N 3.525 123.569 119.914 0.217 0.000 2.299 959 V HA 0.124 4.243 4.120 -0.001 0.000 0.255 959 V C 1.287 177.512 176.094 0.219 0.000 1.100 959 V CA 0.001 62.441 62.300 0.234 0.000 0.938 959 V CB 0.473 32.422 31.823 0.210 0.000 1.139 959 V HN 0.595 nan 8.190 nan 0.000 0.490 960 S N 3.209 119.067 115.700 0.263 0.000 2.382 960 S HA -0.015 4.454 4.470 -0.001 0.000 0.228 960 S C 0.665 175.318 174.600 0.088 0.000 1.027 960 S CA 0.875 59.185 58.200 0.182 0.000 0.991 960 S CB 0.169 63.534 63.200 0.276 0.000 0.823 960 S HN 0.497 nan 8.310 nan 0.000 0.469 961 V N 1.554 121.560 119.914 0.153 0.000 2.686 961 V HA 0.523 4.642 4.120 -0.001 0.000 0.306 961 V C -0.765 175.401 176.094 0.120 0.000 1.065 961 V CA -0.539 61.828 62.300 0.112 0.000 0.894 961 V CB 1.868 33.784 31.823 0.155 0.000 1.004 961 V HN 0.373 nan 8.190 nan 0.000 0.424 962 M N 5.655 125.248 119.600 -0.011 0.000 2.197 962 M HA 0.682 5.162 4.480 -0.001 0.000 0.301 962 M C -1.050 175.089 176.300 -0.268 0.000 0.987 962 M CA -0.493 54.673 55.300 -0.224 0.000 0.921 962 M CB 1.474 33.947 32.600 -0.211 0.000 1.569 962 M HN 0.745 nan 8.290 nan 0.000 0.431 963 R N 4.115 124.385 120.500 -0.382 0.000 2.515 963 R HA 0.425 4.765 4.340 -0.001 0.000 0.291 963 R C -1.387 174.690 176.300 -0.372 0.000 1.046 963 R CA -0.687 55.238 56.100 -0.292 0.000 0.914 963 R CB 1.858 32.066 30.300 -0.153 0.000 1.191 963 R HN 0.909 nan 8.270 nan 0.000 0.435 964 R N 4.385 124.721 120.500 -0.273 0.000 2.442 964 R HA 0.134 4.473 4.340 -0.001 0.000 0.291 964 R C 0.205 176.395 176.300 -0.184 0.000 1.069 964 R CA 0.095 56.060 56.100 -0.225 0.000 1.022 964 R CB 0.618 30.842 30.300 -0.126 0.000 0.976 964 R HN 0.699 nan 8.270 nan 0.000 0.443 965 L N 2.928 124.036 121.223 -0.191 0.000 2.616 965 L HA 0.150 4.490 4.340 -0.001 0.000 0.229 965 L C 0.312 177.130 176.870 -0.086 0.000 1.110 965 L CA 0.017 54.764 54.840 -0.154 0.000 0.884 965 L CB 0.474 42.408 42.059 -0.207 0.000 1.115 965 L HN 0.718 nan 8.230 nan 0.000 0.481 966 T N -2.707 111.808 114.554 -0.065 0.000 2.885 966 T HA 0.451 4.800 4.350 -0.001 0.000 0.285 966 T C -0.219 174.474 174.700 -0.012 0.000 1.019 966 T CA -0.904 61.176 62.100 -0.034 0.000 1.010 966 T CB 2.453 71.306 68.868 -0.024 0.000 1.022 966 T HN -0.089 nan 8.240 nan 0.000 0.466 967 K N 0.852 121.251 120.400 -0.003 0.000 2.117 967 K HA 0.333 4.652 4.320 -0.001 0.000 0.240 967 K C 1.633 178.247 176.600 0.024 0.000 1.031 967 K CA -0.279 56.018 56.287 0.016 0.000 0.909 967 K CB 0.588 33.095 32.500 0.012 0.000 1.097 967 K HN 0.805 nan 8.250 nan 0.000 0.492 968 S N -0.690 115.032 115.700 0.038 0.000 2.474 968 S HA -0.136 4.333 4.470 -0.001 0.000 0.235 968 S C 1.726 176.341 174.600 0.025 0.000 0.997 968 S CA 1.392 59.613 58.200 0.036 0.000 0.949 968 S CB -0.351 62.877 63.200 0.048 0.000 0.766 968 S HN 0.618 nan 8.310 nan 0.000 0.517 969 S N 1.563 117.275 115.700 0.021 0.000 2.522 969 S HA 0.397 4.867 4.470 -0.001 0.000 0.227 969 S C 0.849 175.456 174.600 0.011 0.000 0.986 969 S CA 0.098 58.308 58.200 0.016 0.000 0.929 969 S CB -0.627 62.582 63.200 0.015 0.000 0.769 969 S HN 0.774 nan 8.310 nan 0.000 0.529 970 A N 1.957 124.782 122.820 0.008 0.000 2.451 970 A HA 0.370 4.690 4.320 -0.001 0.000 0.266 970 A C 1.254 178.843 177.584 0.008 0.000 1.119 970 A CA -0.398 51.641 52.037 0.004 0.000 0.786 970 A CB 0.195 19.194 19.000 -0.002 0.000 1.061 970 A HN 0.454 nan 8.150 nan 0.000 0.503 971 K N 1.844 122.248 120.400 0.006 0.000 2.063 971 K HA -0.099 4.221 4.320 -0.001 0.000 0.208 971 K C 0.094 176.703 176.600 0.014 0.000 1.048 971 K CA 1.712 58.005 56.287 0.009 0.000 0.928 971 K CB -0.038 32.465 32.500 0.005 0.000 0.713 971 K HN 0.655 nan 8.250 nan 0.000 0.442 972 T N 2.436 116.995 114.554 0.008 0.000 2.753 972 T HA 0.187 4.536 4.350 -0.001 0.000 0.297 972 T C -0.842 173.870 174.700 0.021 0.000 0.981 972 T CA -0.697 61.410 62.100 0.012 0.000 0.956 972 T CB 1.451 70.316 68.868 -0.006 0.000 0.936 972 T HN 0.083 nan 8.240 nan 0.000 0.463 973 Q N 2.763 122.594 119.800 0.052 0.000 2.340 973 Q HA 0.414 4.753 4.340 -0.001 0.000 0.249 973 Q C 0.075 176.128 176.000 0.089 0.000 0.957 973 Q CA 0.022 55.860 55.803 0.057 0.000 0.882 973 Q CB 1.371 30.145 28.738 0.060 0.000 1.235 973 Q HN 0.549 nan 8.270 nan 0.000 0.439 974 R N 0.324 120.842 120.500 0.030 0.000 2.628 974 R HA 0.671 5.010 4.340 -0.001 0.000 0.288 974 R C -1.086 175.168 176.300 -0.077 0.000 0.980 974 R CA -0.676 55.427 56.100 0.006 0.000 0.891 974 R CB 1.880 32.148 30.300 -0.053 0.000 1.188 974 R HN 0.258 nan 8.270 nan 0.000 0.450 975 V N 1.390 121.253 119.914 -0.084 0.000 2.531 975 V HA 0.608 4.728 4.120 -0.001 0.000 0.301 975 V C 0.130 175.955 176.094 -0.448 0.000 1.034 975 V CA -0.856 61.264 62.300 -0.300 0.000 0.865 975 V CB 2.058 33.709 31.823 -0.288 0.000 0.995 975 V HN 0.947 nan 8.190 nan 0.000 0.424 976 G N 2.912 111.246 108.800 -0.777 0.000 2.371 976 G HA2 0.676 4.635 3.960 -0.001 0.000 0.326 976 G HA3 0.676 4.635 3.960 -0.001 0.000 0.326 976 G C -1.675 172.804 174.900 -0.701 0.000 1.127 976 G CA -0.315 44.178 45.100 -1.012 0.000 0.885 976 G HN 0.501 nan 8.290 nan 0.000 0.477 977 Y N 0.363 120.758 120.300 0.157 0.000 2.442 977 Y HA 0.478 5.027 4.550 -0.001 0.000 0.344 977 Y C -0.147 176.018 175.900 0.442 0.000 0.976 977 Y CA -0.902 57.370 58.100 0.287 0.000 1.040 977 Y CB 2.802 41.396 38.460 0.224 0.000 1.228 977 Y HN 0.347 nan 8.280 nan 0.000 0.451 978 V N 5.097 125.301 119.914 0.483 0.000 2.384 978 V HA 0.375 4.494 4.120 -0.001 0.000 0.287 978 V C -0.446 175.872 176.094 0.373 0.000 1.020 978 V CA -0.742 61.770 62.300 0.352 0.000 0.850 978 V CB 1.298 33.280 31.823 0.265 0.000 0.987 978 V HN 0.580 nan 8.190 nan 0.000 0.436 979 L N 4.435 125.865 121.223 0.345 0.000 2.317 979 L HA 0.591 4.931 4.340 -0.001 0.000 0.281 979 L C -0.741 176.330 176.870 0.335 0.000 1.024 979 L CA -0.511 54.526 54.840 0.329 0.000 0.810 979 L CB 1.672 43.915 42.059 0.307 0.000 1.240 979 L HN 0.738 nan 8.230 nan 0.000 0.427 980 H N 3.346 122.566 119.070 0.249 0.000 2.589 980 H HA 0.420 4.975 4.556 -0.001 0.000 0.351 980 H C -0.972 174.439 175.328 0.137 0.000 1.074 980 H CA -0.563 55.602 56.048 0.196 0.000 1.203 980 H CB 1.527 31.475 29.762 0.310 0.000 1.558 980 H HN 0.472 nan 8.280 nan 0.000 0.522 981 R N 4.245 124.366 120.500 -0.632 0.000 2.343 981 R HA 0.326 4.665 4.340 -0.001 0.000 0.320 981 R C -0.365 175.502 176.300 -0.722 0.000 0.956 981 R CA -0.445 55.374 56.100 -0.469 0.000 0.836 981 R CB 1.324 31.487 30.300 -0.229 0.000 1.151 981 R HN 0.758 nan 8.270 nan 0.000 0.450 982 T N 1.509 115.801 114.554 -0.436 0.000 2.833 982 T HA 0.204 4.553 4.350 -0.001 0.000 0.292 982 T C -0.557 173.969 174.700 -0.290 0.000 1.031 982 T CA -0.471 61.463 62.100 -0.278 0.000 0.937 982 T CB 0.620 69.400 68.868 -0.148 0.000 1.256 982 T HN 0.677 nan 8.240 nan 0.000 0.551 983 N N 0.562 119.116 118.700 -0.243 0.000 2.410 983 N HA 0.469 5.208 4.740 -0.001 0.000 0.287 983 N C -1.497 173.857 175.510 -0.260 0.000 1.044 983 N CA -0.482 52.368 53.050 -0.334 0.000 0.881 983 N CB 0.686 38.822 38.487 -0.585 0.000 1.405 983 N HN 0.472 nan 8.380 nan 0.000 0.490 984 L N 2.722 123.789 121.223 -0.259 0.000 2.325 984 L HA 0.546 4.886 4.340 -0.001 0.000 0.278 984 L C 0.500 177.251 176.870 -0.198 0.000 1.023 984 L CA -0.975 53.748 54.840 -0.196 0.000 0.811 984 L CB 1.622 43.574 42.059 -0.177 0.000 1.249 984 L HN 0.386 nan 8.230 nan 0.000 0.431 985 M N 1.893 121.396 119.600 -0.162 0.000 2.245 985 M HA 0.100 4.579 4.480 -0.001 0.000 0.344 985 M C -0.207 176.011 176.300 -0.135 0.000 1.170 985 M CA 0.248 55.456 55.300 -0.154 0.000 1.135 985 M CB 0.364 32.879 32.600 -0.143 0.000 1.574 985 M HN 0.531 nan 8.290 nan 0.000 0.452 986 Q N 1.536 121.260 119.800 -0.126 0.000 2.314 986 Q HA 0.194 4.534 4.340 -0.001 0.000 0.257 986 Q C -0.355 175.594 176.000 -0.086 0.000 0.975 986 Q CA -0.312 55.431 55.803 -0.100 0.000 0.933 986 Q CB 0.781 29.464 28.738 -0.093 0.000 1.195 986 Q HN 0.767 nan 8.270 nan 0.000 0.426 987 c N 1.529 120.082 118.600 -0.078 0.000 3.240 987 c HA 0.410 4.979 4.570 -0.001 0.000 0.271 987 c C 1.250 175.307 174.090 -0.055 0.000 1.534 987 c CA -0.084 56.203 56.329 -0.069 0.000 1.796 987 c CB -0.511 41.952 42.510 -0.079 0.000 2.892 987 c HN 1.141 nan 8.230 nan 0.000 0.566 988 G N 1.259 110.029 108.800 -0.050 0.000 2.159 988 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.227 988 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.227 988 G C -0.006 174.874 174.900 -0.034 0.000 0.986 988 G CA 0.305 45.382 45.100 -0.039 0.000 0.651 988 G HN 0.434 nan 8.290 nan 0.000 0.523 989 T N 1.902 116.433 114.554 -0.037 0.000 2.743 989 T HA 0.478 4.827 4.350 -0.001 0.000 0.293 989 T C -0.560 174.126 174.700 -0.023 0.000 0.945 989 T CA -0.541 61.542 62.100 -0.029 0.000 1.030 989 T CB 1.888 70.736 68.868 -0.032 0.000 0.912 989 T HN 0.018 nan 8.240 nan 0.000 0.483 990 P HA -0.114 nan 4.420 nan 0.000 0.216 990 P C 0.187 177.492 177.300 0.008 0.000 1.150 990 P CA 0.491 63.590 63.100 -0.001 0.000 0.837 990 P CB -0.208 31.496 31.700 0.007 0.000 0.786 991 E N 0.388 120.597 120.200 0.015 0.000 0.810 991 E HA -0.245 4.104 4.350 -0.001 0.000 0.343 991 E C -0.064 176.535 176.600 -0.002 0.000 0.616 991 E CA 0.468 56.875 56.400 0.012 0.000 1.281 991 E CB -0.455 29.230 29.700 -0.027 0.000 0.490 991 E HN 0.321 nan 8.360 nan 0.000 0.353 992 E N 1.610 121.846 120.200 0.060 0.000 4.039 992 E HA 0.093 4.442 4.350 -0.001 0.000 0.144 992 E C -0.168 176.380 176.600 -0.087 0.000 1.036 992 E CA 0.069 56.490 56.400 0.036 0.000 0.882 992 E CB -0.294 29.464 29.700 0.097 0.000 1.874 992 E HN 0.748 nan 8.360 nan 0.000 0.392 993 H N 0.978 120.043 119.070 -0.009 0.000 2.400 993 H HA -0.130 4.426 4.556 -0.001 0.000 0.310 993 H C -0.732 174.604 175.328 0.012 0.000 0.923 993 H CA 1.075 57.121 56.048 -0.002 0.000 1.024 993 H CB -2.629 27.129 29.762 -0.007 0.000 1.611 993 H HN 0.317 nan 8.280 nan 0.000 0.332 994 T N 0.099 114.643 114.554 -0.016 0.000 2.887 994 T HA 0.654 5.003 4.350 -0.001 0.000 0.292 994 T C -0.093 174.623 174.700 0.028 0.000 1.087 994 T CA -1.145 60.944 62.100 -0.017 0.000 1.009 994 T CB 2.523 71.368 68.868 -0.038 0.000 1.203 994 T HN 0.502 nan 8.240 nan 0.000 0.518 995 Q N 0.524 120.351 119.800 0.045 0.000 2.235 995 Q HA 0.479 4.818 4.340 -0.001 0.000 0.256 995 Q C -0.436 175.580 176.000 0.027 0.000 0.951 995 Q CA -0.939 54.889 55.803 0.042 0.000 0.890 995 Q CB 1.676 30.451 28.738 0.061 0.000 1.279 995 Q HN 0.669 nan 8.270 nan 0.000 0.444 996 K N 1.583 121.990 120.400 0.011 0.000 2.401 996 K HA 0.151 4.470 4.320 -0.001 0.000 0.278 996 K C -1.045 175.553 176.600 -0.004 0.000 1.018 996 K CA -0.342 55.943 56.287 -0.003 0.000 0.981 996 K CB 0.374 32.864 32.500 -0.018 0.000 0.933 996 K HN 0.496 nan 8.250 nan 0.000 0.477 997 L N 4.512 125.729 121.223 -0.010 0.000 2.265 997 L HA 0.310 4.649 4.340 -0.001 0.000 0.289 997 L C -1.248 175.583 176.870 -0.065 0.000 1.033 997 L CA -0.071 54.755 54.840 -0.022 0.000 0.814 997 L CB 1.288 43.345 42.059 -0.004 0.000 1.203 997 L HN 0.638 nan 8.230 nan 0.000 0.423 998 D N 3.505 123.860 120.400 -0.075 0.000 2.461 998 D HA 0.174 4.814 4.640 -0.001 0.000 0.240 998 D C 1.040 177.246 176.300 -0.157 0.000 1.094 998 D CA -0.277 53.658 54.000 -0.107 0.000 0.868 998 D CB 1.299 42.080 40.800 -0.032 0.000 1.062 998 D HN 0.390 nan 8.370 nan 0.000 0.530 999 V N 1.374 121.098 119.914 -0.318 0.000 2.720 999 V HA -0.160 3.959 4.120 -0.001 0.000 0.256 999 V C 2.098 177.883 176.094 -0.515 0.000 1.082 999 V CA 1.011 62.944 62.300 -0.612 0.000 1.101 999 V CB -1.050 30.114 31.823 -1.099 0.000 0.693 999 V HN 0.612 nan 8.190 nan 0.000 0.479 1000 c N 0.602 119.036 118.600 -0.277 0.000 2.437 1000 c HA 0.024 4.594 4.570 -0.001 0.000 0.283 1000 c C 2.130 176.115 174.090 -0.175 0.000 1.424 1000 c CA 1.237 57.469 56.329 -0.161 0.000 1.782 1000 c CB -1.752 40.654 42.510 -0.174 0.000 1.833 1000 c HN 0.771 nan 8.230 nan 0.000 0.532 1001 H N -0.992 118.060 119.070 -0.031 0.000 2.542 1001 H HA 0.259 4.814 4.556 -0.001 0.000 0.283 1001 H C 1.716 177.079 175.328 0.059 0.000 1.059 1001 H CA 0.000 56.069 56.048 0.035 0.000 1.162 1001 H CB 0.060 29.825 29.762 0.004 0.000 1.539 1001 H HN 0.340 nan 8.280 nan 0.000 0.543 1002 L N -0.120 121.163 121.223 0.099 0.000 2.201 1002 L HA -0.022 4.317 4.340 -0.001 0.000 0.212 1002 L C 0.180 177.194 176.870 0.241 0.000 1.105 1002 L CA 0.872 55.799 54.840 0.145 0.000 0.775 1002 L CB 0.109 42.221 42.059 0.089 0.000 0.913 1002 L HN 0.209 nan 8.230 nan 0.000 0.440 1003 L N 0.063 121.382 121.223 0.160 0.000 2.331 1003 L HA 0.389 4.728 4.340 -0.001 0.000 0.275 1003 L C -2.054 174.872 176.870 0.093 0.000 1.022 1003 L CA -1.990 52.874 54.840 0.041 0.000 0.812 1003 L CB 1.592 43.428 42.059 -0.371 0.000 1.257 1003 L HN -0.204 nan 8.230 nan 0.000 0.435 1004 P HA 0.117 nan 4.420 nan 0.000 0.274 1004 P C -0.873 176.554 177.300 0.212 0.000 1.256 1004 P CA -0.247 62.936 63.100 0.138 0.000 0.795 1004 P CB 0.377 32.132 31.700 0.093 0.000 1.038 1005 N N -3.154 115.645 118.700 0.166 0.000 2.740 1005 N HA -0.153 4.587 4.740 -0.001 0.000 0.248 1005 N C 0.023 175.608 175.510 0.125 0.000 1.062 1005 N CA 0.139 53.272 53.050 0.139 0.000 0.704 1005 N CB -2.010 36.550 38.487 0.121 0.000 0.968 1005 N HN 0.268 nan 8.380 nan 0.000 0.547 1006 V N -0.068 119.874 119.914 0.047 0.000 2.655 1006 V HA 0.402 4.522 4.120 -0.001 0.000 0.300 1006 V C 1.174 177.164 176.094 -0.174 0.000 1.044 1006 V CA 1.081 63.230 62.300 -0.252 0.000 1.095 1006 V CB 1.216 32.802 31.823 -0.395 0.000 0.952 1006 V HN 0.436 nan 8.190 nan 0.000 0.485 1007 A N 7.027 129.721 122.820 -0.211 0.000 2.287 1007 A HA 0.500 4.819 4.320 -0.001 0.000 0.214 1007 A C 0.895 178.438 177.584 -0.068 0.000 1.228 1007 A CA -0.023 51.956 52.037 -0.097 0.000 0.939 1007 A CB 0.251 19.209 19.000 -0.070 0.000 0.992 1007 A HN 0.777 nan 8.150 nan 0.000 0.502 1008 R N -1.670 118.763 120.500 -0.112 0.000 2.664 1008 R HA 0.460 4.800 4.340 -0.001 0.000 0.260 1008 R C -2.352 173.923 176.300 -0.041 0.000 1.062 1008 R CA -0.316 55.782 56.100 -0.003 0.000 0.902 1008 R CB 1.354 31.663 30.300 0.015 0.000 1.258 1008 R HN 0.313 nan 8.270 nan 0.000 0.465 1009 c N 2.608 121.234 118.600 0.044 0.000 2.535 1009 c HA 0.638 5.207 4.570 -0.001 0.000 0.319 1009 c C -1.215 172.966 174.090 0.152 0.000 1.171 1009 c CA -0.192 56.164 56.329 0.046 0.000 1.394 1009 c CB 1.379 43.873 42.510 -0.027 0.000 1.990 1009 c HN 0.925 nan 8.230 nan 0.000 0.466 1010 E N 2.829 123.145 120.200 0.194 0.000 2.293 1010 E HA 0.441 4.791 4.350 -0.001 0.000 0.270 1010 E C -1.021 175.753 176.600 0.291 0.000 0.879 1010 E CA -0.599 55.934 56.400 0.221 0.000 0.756 1010 E CB 1.907 31.701 29.700 0.156 0.000 1.208 1010 E HN 0.655 nan 8.360 nan 0.000 0.428 1011 R N 1.495 122.147 120.500 0.254 0.000 2.357 1011 R HA 0.345 4.685 4.340 -0.001 0.000 0.296 1011 R C -0.487 175.841 176.300 0.046 0.000 1.052 1011 R CA 0.108 56.275 56.100 0.110 0.000 0.988 1011 R CB 0.653 30.992 30.300 0.065 0.000 1.025 1011 R HN 0.686 nan 8.270 nan 0.000 0.469 1012 T N -0.263 114.291 114.554 -0.001 0.000 2.888 1012 T HA 0.365 4.714 4.350 -0.001 0.000 0.288 1012 T C 0.088 174.768 174.700 -0.033 0.000 1.063 1012 T CA -0.777 61.345 62.100 0.037 0.000 1.010 1012 T CB 1.368 70.328 68.868 0.153 0.000 1.214 1012 T HN 0.617 nan 8.240 nan 0.000 0.533 1013 T N 0.199 114.739 114.554 -0.023 0.000 2.795 1013 T HA 0.215 4.565 4.350 -0.001 0.000 0.314 1013 T C 1.617 176.236 174.700 -0.136 0.000 1.069 1013 T CA -0.708 61.355 62.100 -0.061 0.000 1.071 1013 T CB -0.057 68.792 68.868 -0.031 0.000 0.988 1013 T HN 0.566 nan 8.240 nan 0.000 0.543 1014 L N 1.014 122.141 121.223 -0.160 0.000 2.362 1014 L HA -0.033 4.307 4.340 -0.001 0.000 0.219 1014 L C 2.818 179.398 176.870 -0.484 0.000 1.134 1014 L CA 1.394 56.071 54.840 -0.271 0.000 0.807 1014 L CB -1.068 40.914 42.059 -0.127 0.000 0.927 1014 L HN 0.979 nan 8.230 nan 0.000 0.447 1015 T N -4.884 109.491 114.554 -0.298 0.000 3.129 1015 T HA 0.012 4.361 4.350 -0.001 0.000 0.251 1015 T C 0.750 175.349 174.700 -0.169 0.000 1.117 1015 T CA -0.243 61.715 62.100 -0.236 0.000 1.034 1015 T CB -0.179 68.672 68.868 -0.029 0.000 0.968 1015 T HN 0.207 nan 8.240 nan 0.000 0.526 1016 F N -0.783 119.178 119.950 0.019 0.000 2.914 1016 F HA -0.198 4.328 4.527 -0.001 0.000 0.304 1016 F C 1.032 176.832 175.800 -0.001 0.000 0.712 1016 F CA -0.039 57.965 58.000 0.006 0.000 1.211 1016 F CB -2.353 36.647 39.000 -0.000 0.000 1.515 1016 F HN 0.252 nan 8.300 nan 0.000 0.350 1017 L N -0.943 120.350 121.223 0.117 0.000 2.509 1017 L HA 0.091 4.430 4.340 -0.001 0.000 0.222 1017 L C 1.084 177.975 176.870 0.035 0.000 1.123 1017 L CA 0.896 55.776 54.840 0.067 0.000 0.856 1017 L CB 0.134 42.216 42.059 0.038 0.000 0.985 1017 L HN 0.354 nan 8.230 nan 0.000 0.456 1018 Q N 0.389 120.210 119.800 0.034 0.000 2.305 1018 Q HA 0.277 4.617 4.340 -0.001 0.000 0.271 1018 Q C -1.225 174.791 176.000 0.028 0.000 1.046 1018 Q CA -0.700 55.112 55.803 0.014 0.000 0.798 1018 Q CB 1.993 30.726 28.738 -0.009 0.000 1.286 1018 Q HN 0.075 nan 8.270 nan 0.000 0.435 1019 N N 4.226 122.941 118.700 0.025 0.000 2.488 1019 N HA 0.218 4.957 4.740 -0.001 0.000 0.274 1019 N C 0.287 175.813 175.510 0.027 0.000 1.111 1019 N CA 0.162 53.234 53.050 0.037 0.000 0.974 1019 N CB 1.162 39.667 38.487 0.030 0.000 1.089 1019 N HN 0.636 nan 8.380 nan 0.000 0.465 1020 L N 0.417 121.661 121.223 0.035 0.000 2.537 1020 L HA 0.310 4.649 4.340 -0.001 0.000 0.224 1020 L C 0.610 177.507 176.870 0.046 0.000 1.065 1020 L CA 0.382 55.237 54.840 0.025 0.000 0.860 1020 L CB 0.359 42.421 42.059 0.005 0.000 1.086 1020 L HN 0.526 nan 8.230 nan 0.000 0.482 1021 E N -0.453 119.794 120.200 0.078 0.000 2.354 1021 E HA 0.141 4.490 4.350 -0.001 0.000 0.283 1021 E C -1.383 175.316 176.600 0.165 0.000 0.938 1021 E CA -0.570 55.893 56.400 0.105 0.000 0.777 1021 E CB 1.659 31.414 29.700 0.092 0.000 1.222 1021 E HN 0.096 nan 8.360 nan 0.000 0.423 1022 H N 5.695 124.791 119.070 0.043 0.000 2.562 1022 H HA 0.353 4.909 4.556 -0.001 0.000 0.314 1022 H C -0.787 174.566 175.328 0.042 0.000 1.079 1022 H CA -0.614 55.457 56.048 0.038 0.000 1.349 1022 H CB 0.735 30.509 29.762 0.021 0.000 1.432 1022 H HN 0.359 nan 8.280 nan 0.000 0.479 1023 L N 5.147 126.310 121.223 -0.100 0.000 2.275 1023 L HA 0.133 4.472 4.340 -0.001 0.000 0.288 1023 L C 0.174 176.903 176.870 -0.236 0.000 1.046 1023 L CA -0.866 53.903 54.840 -0.119 0.000 0.805 1023 L CB 1.191 43.244 42.059 -0.010 0.000 1.193 1023 L HN 0.637 nan 8.230 nan 0.000 0.426 1024 D N 2.618 122.916 120.400 -0.170 0.000 2.458 1024 D HA 0.146 4.786 4.640 -0.001 0.000 0.243 1024 D C 1.162 177.410 176.300 -0.085 0.000 1.146 1024 D CA 1.267 55.182 54.000 -0.142 0.000 0.877 1024 D CB 1.371 42.120 40.800 -0.085 0.000 1.176 1024 D HN 0.845 nan 8.370 nan 0.000 0.461 1025 G N 3.087 111.846 108.800 -0.068 0.000 2.168 1025 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.263 1025 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.263 1025 G C 0.800 175.725 174.900 0.042 0.000 0.977 1025 G CA 0.443 45.536 45.100 -0.011 0.000 0.659 1025 G HN 0.644 nan 8.290 nan 0.000 0.533 1026 M N -2.505 117.087 119.600 -0.015 0.000 2.461 1026 M HA -0.185 4.294 4.480 -0.001 0.000 0.203 1026 M C 0.039 176.362 176.300 0.039 0.000 0.428 1026 M CA 0.883 56.172 55.300 -0.017 0.000 0.509 1026 M CB -1.809 30.762 32.600 -0.049 0.000 1.851 1026 M HN 0.242 nan 8.290 nan 0.000 0.834 1027 V N 0.684 120.606 119.914 0.014 0.000 2.417 1027 V HA 0.743 4.863 4.120 -0.001 0.000 0.291 1027 V C 0.550 176.564 176.094 -0.133 0.000 1.024 1027 V CA -0.349 61.949 62.300 -0.004 0.000 0.861 1027 V CB 1.827 33.642 31.823 -0.014 0.000 0.985 1027 V HN 0.382 nan 8.190 nan 0.000 0.436 1028 A N 7.770 130.430 122.820 -0.268 0.000 2.279 1028 A HA 0.768 5.088 4.320 -0.001 0.000 0.306 1028 A C -2.475 174.828 177.584 -0.470 0.000 1.300 1028 A CA -1.476 50.169 52.037 -0.653 0.000 0.925 1028 A CB 0.137 18.477 19.000 -1.100 0.000 1.152 1028 A HN 0.632 nan 8.150 nan 0.000 0.544 1029 P HA 0.195 nan 4.420 nan 0.000 0.272 1029 P C -0.155 177.126 177.300 -0.031 0.000 1.223 1029 P CA -0.186 62.859 63.100 -0.091 0.000 0.784 1029 P CB 0.586 32.292 31.700 0.011 0.000 0.923 1030 E N -0.082 120.116 120.200 -0.002 0.000 2.374 1030 E HA 0.258 4.608 4.350 -0.001 0.000 0.260 1030 E C 0.082 176.727 176.600 0.075 0.000 1.101 1030 E CA -0.862 55.562 56.400 0.041 0.000 0.907 1030 E CB 0.573 30.280 29.700 0.011 0.000 1.014 1030 E HN 0.281 nan 8.360 nan 0.000 0.427 1031 V N -1.104 118.861 119.914 0.084 0.000 3.134 1031 V HA 0.315 4.435 4.120 -0.001 0.000 0.313 1031 V C 0.196 176.290 176.094 0.001 0.000 1.069 1031 V CA -1.043 61.294 62.300 0.061 0.000 1.048 1031 V CB 1.136 33.000 31.823 0.069 0.000 1.119 1031 V HN 0.735 nan 8.190 nan 0.000 0.461 1032 c N 2.335 120.931 118.600 -0.007 0.000 2.500 1032 c HA 0.462 5.032 4.570 -0.001 0.000 0.367 1032 c C -2.103 171.930 174.090 -0.095 0.000 1.283 1032 c CA -0.408 55.898 56.329 -0.038 0.000 2.456 1032 c CB 0.117 42.622 42.510 -0.009 0.000 2.457 1032 c HN 0.815 nan 8.230 nan 0.000 0.632 1033 P HA 0.053 nan 4.420 nan 0.000 0.265 1033 P C 0.260 177.407 177.300 -0.254 0.000 1.193 1033 P CA 0.922 63.886 63.100 -0.226 0.000 0.765 1033 P CB 0.183 31.730 31.700 -0.255 0.000 0.823 1034 M N -1.120 118.281 119.600 -0.332 0.000 2.939 1034 M HA -0.181 4.299 4.480 -0.001 0.000 0.194 1034 M C -0.135 176.166 176.300 0.002 0.000 0.617 1034 M CA 1.390 56.485 55.300 -0.340 0.000 0.734 1034 M CB -2.044 30.028 32.600 -0.880 0.000 2.637 1034 M HN 0.414 nan 8.290 nan 0.000 0.316 1035 E N 0.409 120.600 120.200 -0.014 0.000 2.227 1035 E HA 0.711 5.061 4.350 -0.001 0.000 0.268 1035 E C 0.087 176.749 176.600 0.103 0.000 0.990 1035 E CA -0.122 56.346 56.400 0.113 0.000 0.856 1035 E CB 1.433 31.165 29.700 0.053 0.000 1.159 1035 E HN 0.137 nan 8.360 nan 0.000 0.401 1036 T N 0.503 115.138 114.554 0.134 0.000 2.881 1036 T HA 0.685 5.035 4.350 -0.001 0.000 0.290 1036 T C -0.839 173.872 174.700 0.018 0.000 1.000 1036 T CA -0.653 61.534 62.100 0.145 0.000 0.978 1036 T CB 1.588 70.554 68.868 0.162 0.000 0.997 1036 T HN 0.520 nan 8.240 nan 0.000 0.443 1037 A N 1.928 124.760 122.820 0.021 0.000 2.479 1037 A HA 1.009 5.329 4.320 -0.001 0.000 0.296 1037 A C -1.041 176.441 177.584 -0.169 0.000 1.121 1037 A CA -0.941 51.013 52.037 -0.138 0.000 0.743 1037 A CB 1.529 20.402 19.000 -0.212 0.000 1.323 1037 A HN 1.115 nan 8.150 nan 0.000 0.415 1038 A N 0.093 122.717 122.820 -0.326 0.000 2.365 1038 A HA 0.833 5.153 4.320 -0.001 0.000 0.318 1038 A C -1.635 175.749 177.584 -0.333 0.000 1.091 1038 A CA -0.353 51.601 52.037 -0.137 0.000 0.763 1038 A CB 0.811 19.766 19.000 -0.075 0.000 1.248 1038 A HN 0.882 nan 8.150 nan 0.000 0.442 1039 Y N -0.036 120.477 120.300 0.355 0.000 2.524 1039 Y HA 0.558 5.108 4.550 -0.001 0.000 0.347 1039 Y C -0.330 175.745 175.900 0.292 0.000 1.005 1039 Y CA -0.860 57.403 58.100 0.272 0.000 1.025 1039 Y CB 2.510 41.091 38.460 0.201 0.000 1.275 1039 Y HN 0.424 nan 8.280 nan 0.000 0.460 1040 V N 2.538 122.656 119.914 0.342 0.000 2.444 1040 V HA 0.507 4.626 4.120 -0.001 0.000 0.294 1040 V C -0.606 175.578 176.094 0.151 0.000 1.022 1040 V CA -0.904 61.491 62.300 0.159 0.000 0.850 1040 V CB 1.713 33.564 31.823 0.047 0.000 0.992 1040 V HN 0.826 nan 8.190 nan 0.000 0.426 1041 S N 3.515 119.312 115.700 0.162 0.000 2.525 1041 S HA 0.725 5.195 4.470 -0.001 0.000 0.290 1041 S C -0.231 174.324 174.600 -0.076 0.000 1.152 1041 S CA -0.595 57.633 58.200 0.045 0.000 1.072 1041 S CB 1.633 64.948 63.200 0.191 0.000 1.027 1041 S HN 0.555 nan 8.310 nan 0.000 0.500 1042 S N 2.275 117.794 115.700 -0.301 0.000 2.501 1042 S HA 0.546 5.016 4.470 -0.001 0.000 0.301 1042 S C -0.930 173.332 174.600 -0.563 0.000 1.096 1042 S CA -0.762 57.291 58.200 -0.246 0.000 1.063 1042 S CB 0.544 63.669 63.200 -0.125 0.000 1.042 1042 S HN 0.787 nan 8.310 nan 0.000 0.494 1043 H N 0.736 119.796 119.070 -0.017 0.000 2.771 1043 H HA 0.398 4.953 4.556 -0.001 0.000 0.361 1043 H C -0.285 175.038 175.328 -0.007 0.000 1.108 1043 H CA -0.611 55.430 56.048 -0.012 0.000 1.201 1043 H CB 1.764 31.521 29.762 -0.008 0.000 1.681 1043 H HN 0.619 nan 8.280 nan 0.000 0.534 1044 S N 0.000 115.745 115.700 0.076 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 0.049 0.000 1.107 1044 S CB 0.000 63.218 63.200 0.030 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517