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 1ps3_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 0.000 174.101 174.090 0.018 0.000 1.270 31 c CA 0.000 56.334 56.329 0.009 0.000 1.963 31 c CB 0.000 42.502 42.510 -0.013 0.000 2.134 32 Q N 1.418 121.244 119.800 0.043 0.000 2.364 32 Q HA 0.155 4.495 4.340 -0.001 0.000 0.267 32 Q C -0.179 175.851 176.000 0.050 0.000 0.999 32 Q CA 0.329 56.171 55.803 0.066 0.000 0.886 32 Q CB 0.824 29.633 28.738 0.118 0.000 1.243 32 Q HN 0.639 nan 8.270 nan 0.000 0.415 33 D N 1.576 122.005 120.400 0.048 0.000 2.317 33 D HA 0.053 4.692 4.640 -0.001 0.000 0.252 33 D C 0.406 176.745 176.300 0.065 0.000 1.174 33 D CA -0.216 53.793 54.000 0.015 0.000 0.866 33 D CB 1.308 42.115 40.800 0.013 0.000 1.127 33 D HN 0.378 nan 8.370 nan 0.000 0.467 34 V N 2.237 122.139 119.914 -0.021 0.000 3.577 34 V HA 0.116 4.235 4.120 -0.001 0.000 0.294 34 V C 0.936 177.049 176.094 0.032 0.000 1.317 34 V CA 0.079 62.417 62.300 0.064 0.000 1.169 34 V CB 0.117 31.803 31.823 -0.228 0.000 1.011 34 V HN 0.392 nan 8.190 nan 0.000 0.426 35 V N -0.122 119.750 119.914 -0.071 0.000 2.996 35 V HA 0.073 4.193 4.120 -0.001 0.000 0.235 35 V C 2.305 178.385 176.094 -0.024 0.000 1.205 35 V CA 1.154 63.366 62.300 -0.146 0.000 1.225 35 V CB 0.175 31.854 31.823 -0.239 0.000 0.995 35 V HN 0.477 nan 8.190 nan 0.000 0.484 36 Q N 0.121 119.944 119.800 0.039 0.000 2.398 36 Q HA 0.085 4.425 4.340 -0.001 0.000 0.204 36 Q C -0.376 175.707 176.000 0.139 0.000 0.932 36 Q CA 0.518 56.367 55.803 0.077 0.000 0.916 36 Q CB 0.342 29.099 28.738 0.032 0.000 1.024 36 Q HN 0.526 nan 8.270 nan 0.000 0.504 37 D N 1.519 122.028 120.400 0.183 0.000 2.427 37 D HA 0.177 4.817 4.640 -0.001 0.000 0.226 37 D C -0.673 175.736 176.300 0.181 0.000 1.076 37 D CA -0.247 53.848 54.000 0.158 0.000 0.849 37 D CB 2.148 43.017 40.800 0.116 0.000 1.052 37 D HN -0.159 nan 8.370 nan 0.000 0.515 38 V N 4.607 124.596 119.914 0.126 0.000 2.421 38 V HA 0.093 4.212 4.120 -0.001 0.000 0.271 38 V C -1.837 174.240 176.094 -0.027 0.000 1.031 38 V CA -1.079 61.222 62.300 0.002 0.000 1.032 38 V CB 0.218 32.046 31.823 0.009 0.000 1.009 38 V HN 0.293 nan 8.190 nan 0.000 0.477 39 P HA 0.062 nan 4.420 nan 0.000 0.266 39 P C -0.418 176.856 177.300 -0.043 0.000 1.195 39 P CA -0.059 63.014 63.100 -0.044 0.000 0.768 39 P CB 0.348 32.005 31.700 -0.073 0.000 0.838 40 N N 2.611 121.300 118.700 -0.019 0.000 2.485 40 N HA 0.344 5.083 4.740 -0.001 0.000 0.243 40 N C -1.044 174.458 175.510 -0.013 0.000 0.987 40 N CA -0.561 52.480 53.050 -0.015 0.000 0.940 40 N CB 0.164 38.650 38.487 -0.001 0.000 1.122 40 N HN 0.106 nan 8.380 nan 0.000 0.509 41 V N 0.450 120.348 119.914 -0.026 0.000 2.960 41 V HA 0.552 4.671 4.120 -0.001 0.000 0.315 41 V C 0.529 176.608 176.094 -0.024 0.000 1.087 41 V CA -0.700 61.587 62.300 -0.022 0.000 0.982 41 V CB 1.993 33.791 31.823 -0.041 0.000 1.039 41 V HN 0.397 nan 8.190 nan 0.000 0.437 42 D N 0.955 121.347 120.400 -0.013 0.000 2.149 42 D HA 0.039 4.678 4.640 -0.001 0.000 0.201 42 D C 0.478 176.749 176.300 -0.049 0.000 0.972 42 D CA 1.532 55.523 54.000 -0.016 0.000 0.835 42 D CB 0.453 41.261 40.800 0.013 0.000 0.966 42 D HN 0.422 nan 8.370 nan 0.000 0.476 43 V N 1.419 121.283 119.914 -0.084 0.000 2.525 43 V HA 0.217 4.337 4.120 -0.001 0.000 0.299 43 V C -0.445 175.553 176.094 -0.160 0.000 1.034 43 V CA -0.761 61.459 62.300 -0.133 0.000 0.863 43 V CB 2.460 34.163 31.823 -0.201 0.000 0.999 43 V HN -0.098 nan 8.190 nan 0.000 0.423 44 Q N 4.704 124.422 119.800 -0.136 0.000 2.339 44 Q HA 0.416 4.755 4.340 -0.001 0.000 0.268 44 Q C 0.544 176.450 176.000 -0.157 0.000 1.027 44 Q CA -0.707 55.008 55.803 -0.147 0.000 0.759 44 Q CB 1.816 30.489 28.738 -0.109 0.000 1.244 44 Q HN 0.688 nan 8.270 nan 0.000 0.464 45 M N 2.877 122.336 119.600 -0.234 0.000 2.144 45 M HA -0.212 4.268 4.480 -0.001 0.000 0.260 45 M C 1.585 177.786 176.300 -0.165 0.000 1.067 45 M CA 1.200 56.353 55.300 -0.246 0.000 1.095 45 M CB -0.910 31.414 32.600 -0.460 0.000 1.365 45 M HN 0.563 nan 8.290 nan 0.000 0.406 46 L N 0.477 121.597 121.223 -0.171 0.000 2.093 46 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 46 L C 2.474 179.338 176.870 -0.010 0.000 1.085 46 L CA 1.792 56.562 54.840 -0.117 0.000 0.755 46 L CB -0.682 41.284 42.059 -0.155 0.000 0.904 46 L HN 0.273 nan 8.230 nan 0.000 0.435 47 E N -0.347 119.834 120.200 -0.031 0.000 2.072 47 E HA -0.224 4.125 4.350 -0.001 0.000 0.191 47 E C 2.197 178.812 176.600 0.025 0.000 0.985 47 E CA 1.415 57.810 56.400 -0.008 0.000 0.801 47 E CB -0.321 29.360 29.700 -0.033 0.000 0.750 47 E HN 0.430 nan 8.360 nan 0.000 0.452 48 L N 0.560 121.796 121.223 0.022 0.000 2.012 48 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 48 L C 2.296 179.235 176.870 0.116 0.000 1.073 48 L CA 1.743 56.604 54.840 0.035 0.000 0.748 48 L CB -1.064 41.005 42.059 0.017 0.000 0.891 48 L HN 0.127 nan 8.230 nan 0.000 0.431 49 Y N -0.069 120.234 120.300 0.005 0.000 2.274 49 Y HA -0.238 4.312 4.550 -0.001 0.000 0.290 49 Y C 2.532 178.525 175.900 0.155 0.000 1.145 49 Y CA 1.687 59.874 58.100 0.146 0.000 1.203 49 Y CB -0.580 37.972 38.460 0.152 0.000 0.984 49 Y HN 0.371 nan 8.280 nan 0.000 0.533 50 D N -0.562 119.952 120.400 0.191 0.000 2.144 50 D HA -0.114 4.526 4.640 -0.001 0.000 0.200 50 D C 2.095 178.438 176.300 0.071 0.000 0.978 50 D CA 1.200 55.265 54.000 0.109 0.000 0.833 50 D CB 0.069 40.906 40.800 0.061 0.000 0.961 50 D HN 0.239 nan 8.370 nan 0.000 0.470 51 R N -0.894 119.629 120.500 0.039 0.000 2.100 51 R HA 0.151 4.490 4.340 -0.001 0.000 0.220 51 R C 0.911 177.191 176.300 -0.033 0.000 1.091 51 R CA 0.088 56.187 56.100 -0.002 0.000 0.986 51 R CB -0.037 30.247 30.300 -0.027 0.000 0.888 51 R HN 0.220 nan 8.270 nan 0.000 0.444 52 M N 0.559 120.104 119.600 -0.090 0.000 2.252 52 M HA -0.069 4.411 4.480 -0.001 0.000 0.329 52 M C 1.006 177.261 176.300 -0.075 0.000 1.101 52 M CA 0.522 55.671 55.300 -0.251 0.000 1.117 52 M CB 1.006 33.156 32.600 -0.751 0.000 1.563 52 M HN -0.005 nan 8.290 nan 0.000 0.445 53 S N 1.178 116.816 115.700 -0.104 0.000 2.486 53 S HA 0.151 4.620 4.470 -0.001 0.000 0.220 53 S C 0.205 174.918 174.600 0.189 0.000 1.011 53 S CA -0.137 58.094 58.200 0.052 0.000 0.921 53 S CB -0.045 63.156 63.200 0.001 0.000 0.785 53 S HN 0.716 nan 8.310 nan 0.000 0.517 54 F N 1.477 121.358 119.950 -0.116 0.000 3.090 54 F HA -0.187 4.339 4.527 -0.000 0.000 0.282 54 F C 0.179 175.991 175.800 0.021 0.000 0.923 54 F CA 0.191 58.128 58.000 -0.105 0.000 0.977 54 F CB -1.520 37.388 39.000 -0.154 0.000 0.954 54 F HN -0.016 nan 8.300 nan 0.000 0.695 55 K N 1.063 121.546 120.400 0.139 0.000 2.322 55 K HA 0.176 4.496 4.320 -0.001 0.000 0.283 55 K C 0.256 176.970 176.600 0.191 0.000 1.042 55 K CA -0.225 56.146 56.287 0.140 0.000 0.958 55 K CB 0.757 33.299 32.500 0.069 0.000 0.984 55 K HN 0.102 nan 8.250 nan 0.000 0.473 56 D N 3.805 124.329 120.400 0.207 0.000 2.638 56 D HA 0.152 4.792 4.640 -0.001 0.000 0.245 56 D C -0.122 176.220 176.300 0.070 0.000 1.176 56 D CA -0.486 53.635 54.000 0.202 0.000 0.996 56 D CB -0.532 40.401 40.800 0.223 0.000 1.012 56 D HN 0.495 nan 8.370 nan 0.000 0.515 57 I N -1.594 119.005 120.570 0.047 0.000 2.664 57 I HA 0.496 4.666 4.170 -0.001 0.000 0.308 57 I C 0.037 176.142 176.117 -0.020 0.000 0.984 57 I CA -0.935 60.371 61.300 0.011 0.000 1.213 57 I CB 1.456 39.464 38.000 0.013 0.000 1.379 57 I HN -0.144 nan 8.210 nan 0.000 0.501 58 D N 4.018 124.406 120.400 -0.020 0.000 2.342 58 D HA 0.184 4.824 4.640 -0.001 0.000 0.260 58 D C 0.951 177.240 176.300 -0.019 0.000 1.278 58 D CA 0.044 54.028 54.000 -0.028 0.000 0.910 58 D CB 1.341 42.132 40.800 -0.015 0.000 1.079 58 D HN 0.820 nan 8.370 nan 0.000 0.496 59 G N 2.389 111.164 108.800 -0.043 0.000 3.088 59 G HA2 0.432 4.392 3.960 -0.001 0.000 0.212 59 G HA3 0.432 4.392 3.960 -0.001 0.000 0.212 59 G C 0.887 175.796 174.900 0.016 0.000 1.173 59 G CA 0.341 45.425 45.100 -0.027 0.000 0.779 59 G HN 0.896 nan 8.290 nan 0.000 0.540 60 G N -0.615 108.196 108.800 0.018 0.000 2.443 60 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.209 60 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.209 60 G C 1.179 176.105 174.900 0.043 0.000 1.176 60 G CA 0.643 45.765 45.100 0.037 0.000 1.074 60 G HN 1.063 nan 8.290 nan 0.000 0.577 61 V N -3.586 116.352 119.914 0.041 0.000 2.332 61 V HA 0.039 4.158 4.120 -0.001 0.000 0.248 61 V C 1.508 177.635 176.094 0.055 0.000 1.055 61 V CA 2.490 64.794 62.300 0.008 0.000 1.038 61 V CB -0.602 31.193 31.823 -0.047 0.000 0.651 61 V HN 1.416 nan 8.190 nan 0.000 0.450 62 W N 2.690 123.908 121.300 -0.137 0.000 2.247 62 W HA 0.446 5.106 4.660 -0.001 0.000 0.394 62 W C 1.147 177.632 176.519 -0.057 0.000 0.939 62 W CA -1.892 55.366 57.345 -0.145 0.000 1.548 62 W CB 0.066 29.415 29.460 -0.186 0.000 1.610 62 W HN 0.058 nan 8.180 nan 0.000 0.336 63 K N 2.474 122.957 120.400 0.139 0.000 2.127 63 K HA -0.232 4.087 4.320 -0.001 0.000 0.208 63 K C 0.928 177.453 176.600 -0.125 0.000 1.047 63 K CA 1.716 57.999 56.287 -0.007 0.000 0.927 63 K CB -0.029 32.459 32.500 -0.020 0.000 0.716 63 K HN 0.580 nan 8.250 nan 0.000 0.450 64 Q N -0.784 118.902 119.800 -0.190 0.000 2.188 64 Q HA 0.177 4.517 4.340 -0.001 0.000 0.212 64 Q C 0.881 176.520 176.000 -0.601 0.000 0.846 64 Q CA -0.214 55.442 55.803 -0.245 0.000 0.989 64 Q CB 1.222 29.934 28.738 -0.043 0.000 1.114 64 Q HN 0.261 nan 8.270 nan 0.000 0.488 65 G N 0.633 108.677 108.800 -1.259 0.000 3.407 65 G HA2 0.528 4.487 3.960 -0.001 0.000 0.187 65 G HA3 0.528 4.487 3.960 -0.001 0.000 0.187 65 G C -1.435 173.156 174.900 -0.514 0.000 1.262 65 G CA -0.318 43.724 45.100 -1.764 0.000 0.808 65 G HN 0.353 nan 8.290 nan 0.000 0.687 66 W N -1.237 119.799 121.300 -0.440 0.000 2.959 66 W HA 0.598 5.258 4.660 -0.000 0.000 0.358 66 W C -1.372 175.242 176.519 0.159 0.000 1.228 66 W CA -1.185 56.114 57.345 -0.076 0.000 1.183 66 W CB 0.625 30.048 29.460 -0.061 0.000 1.467 66 W HN 0.211 nan 8.180 nan 0.000 0.578 67 N N 2.405 121.271 118.700 0.277 0.000 2.402 67 N HA 0.191 4.931 4.740 -0.001 0.000 0.259 67 N C -0.196 175.466 175.510 0.252 0.000 1.167 67 N CA 0.069 53.233 53.050 0.189 0.000 0.949 67 N CB 0.511 39.102 38.487 0.174 0.000 1.212 67 N HN 0.390 nan 8.380 nan 0.000 0.493 68 I N 2.052 122.672 120.570 0.083 0.000 2.618 68 I HA -0.008 4.161 4.170 -0.001 0.000 0.284 68 I C 0.819 177.100 176.117 0.275 0.000 1.146 68 I CA 0.518 61.937 61.300 0.198 0.000 1.425 68 I CB 0.409 38.467 38.000 0.097 0.000 1.383 68 I HN 0.137 nan 8.210 nan 0.000 0.562 69 K N 6.162 126.758 120.400 0.327 0.000 2.371 69 K HA 0.562 4.882 4.320 -0.001 0.000 0.251 69 K C -1.414 175.357 176.600 0.285 0.000 0.934 69 K CA -0.747 55.673 56.287 0.221 0.000 0.798 69 K CB 2.497 35.085 32.500 0.146 0.000 1.204 69 K HN 0.488 nan 8.250 nan 0.000 0.427 70 Y N -1.686 118.698 120.300 0.139 0.000 2.553 70 Y HA 0.391 4.941 4.550 -0.001 0.000 0.347 70 Y C -0.922 175.037 175.900 0.099 0.000 1.019 70 Y CA -1.404 56.775 58.100 0.131 0.000 1.032 70 Y CB 1.248 39.813 38.460 0.175 0.000 1.284 70 Y HN 0.400 nan 8.280 nan 0.000 0.466 71 D N 4.697 125.209 120.400 0.187 0.000 2.325 71 D HA 0.168 4.808 4.640 -0.001 0.000 0.251 71 D C -1.605 174.806 176.300 0.185 0.000 1.196 71 D CA -2.145 51.904 54.000 0.082 0.000 0.866 71 D CB 1.725 42.547 40.800 0.037 0.000 1.101 71 D HN 0.500 nan 8.370 nan 0.000 0.476 72 P HA -0.117 nan 4.420 nan 0.000 0.219 72 P C 1.525 178.953 177.300 0.213 0.000 1.146 72 P CA 0.648 63.903 63.100 0.258 0.000 0.808 72 P CB 0.359 32.141 31.700 0.136 0.000 0.779 73 L N -0.544 120.740 121.223 0.101 0.000 2.610 73 L HA 0.048 4.388 4.340 -0.001 0.000 0.232 73 L C 2.656 179.515 176.870 -0.017 0.000 1.149 73 L CA 0.507 55.382 54.840 0.059 0.000 0.872 73 L CB -0.738 41.340 42.059 0.030 0.000 0.992 73 L HN -0.003 nan 8.230 nan 0.000 0.447 74 K N 0.509 120.849 120.400 -0.100 0.000 2.147 74 K HA -0.132 4.188 4.320 -0.001 0.000 0.205 74 K C -0.149 176.107 176.600 -0.574 0.000 1.049 74 K CA 1.104 57.150 56.287 -0.403 0.000 0.936 74 K CB 0.128 32.274 32.500 -0.589 0.000 0.722 74 K HN 0.140 nan 8.250 nan 0.000 0.446 75 Y N 0.607 120.936 120.300 0.048 0.000 2.446 75 Y HA 0.320 4.870 4.550 0.000 0.000 0.338 75 Y C 0.269 176.232 175.900 0.105 0.000 1.055 75 Y CA -1.207 56.952 58.100 0.098 0.000 1.101 75 Y CB 1.347 39.892 38.460 0.142 0.000 1.221 75 Y HN 0.130 nan 8.280 nan 0.000 0.460 76 N N -0.033 118.830 118.700 0.272 0.000 3.277 76 N HA 0.297 5.037 4.740 -0.001 0.000 0.278 76 N C -0.039 175.530 175.510 0.098 0.000 1.544 76 N CA -0.256 52.889 53.050 0.160 0.000 0.869 76 N CB 1.092 39.660 38.487 0.136 0.000 1.584 76 N HN 0.639 nan 8.380 nan 0.000 0.564 77 A N -0.348 122.448 122.820 -0.040 0.000 2.076 77 A HA -0.170 4.150 4.320 -0.001 0.000 0.220 77 A C 1.175 178.626 177.584 -0.222 0.000 1.160 77 A CA 1.294 53.230 52.037 -0.169 0.000 0.653 77 A CB -1.042 17.782 19.000 -0.294 0.000 0.801 77 A HN 0.674 nan 8.150 nan 0.000 0.455 78 H N -2.576 116.550 119.070 0.094 0.000 2.563 78 H HA 0.083 4.639 4.556 -0.000 0.000 0.264 78 H C -0.068 175.339 175.328 0.133 0.000 0.957 78 H CA 0.785 56.886 56.048 0.089 0.000 1.173 78 H CB 0.304 30.113 29.762 0.079 0.000 1.420 78 H HN 0.601 nan 8.280 nan 0.000 0.551 79 H N 0.880 120.041 119.070 0.151 0.000 2.852 79 H HA 0.277 4.833 4.556 -0.001 0.000 0.274 79 H C -0.662 174.794 175.328 0.214 0.000 1.321 79 H CA -0.307 55.832 56.048 0.151 0.000 1.582 79 H CB 0.339 30.175 29.762 0.123 0.000 1.699 79 H HN 0.079 nan 8.280 nan 0.000 0.546 80 K N 2.250 122.752 120.400 0.171 0.000 2.090 80 K HA 0.270 4.590 4.320 -0.001 0.000 0.249 80 K C -0.387 176.278 176.600 0.108 0.000 0.995 80 K CA -1.172 55.205 56.287 0.149 0.000 0.914 80 K CB 1.890 34.390 32.500 0.000 0.000 1.057 80 K HN 0.170 nan 8.250 nan 0.000 0.462 81 L N 2.202 123.385 121.223 -0.066 0.000 2.257 81 L HA 0.217 4.556 4.340 -0.001 0.000 0.290 81 L C -0.957 175.783 176.870 -0.216 0.000 1.044 81 L CA 0.074 54.814 54.840 -0.168 0.000 0.810 81 L CB 0.479 42.239 42.059 -0.498 0.000 1.193 81 L HN 0.367 nan 8.230 nan 0.000 0.425 82 K N 4.474 124.756 120.400 -0.197 0.000 2.248 82 K HA 0.525 4.845 4.320 -0.001 0.000 0.281 82 K C -1.129 175.205 176.600 -0.442 0.000 1.054 82 K CA -0.513 55.577 56.287 -0.329 0.000 0.903 82 K CB 1.457 33.816 32.500 -0.235 0.000 1.077 82 K HN 0.403 nan 8.250 nan 0.000 0.474 83 V N 4.807 124.313 119.914 -0.680 0.000 2.448 83 V HA 0.376 4.496 4.120 -0.001 0.000 0.295 83 V C -0.837 174.722 176.094 -0.891 0.000 1.025 83 V CA -0.810 61.021 62.300 -0.781 0.000 0.859 83 V CB 0.672 31.822 31.823 -1.122 0.000 0.988 83 V HN 0.555 nan 8.190 nan 0.000 0.431 84 F N 3.545 123.238 119.950 -0.429 0.000 2.375 84 F HA 0.504 5.030 4.527 -0.001 0.000 0.361 84 F C 0.147 175.762 175.800 -0.308 0.000 1.117 84 F CA -0.737 57.069 58.000 -0.323 0.000 1.037 84 F CB 1.801 40.678 39.000 -0.206 0.000 1.192 84 F HN 0.192 nan 8.300 nan 0.000 0.452 85 V N 5.159 125.025 119.914 -0.081 0.000 2.368 85 V HA 0.262 4.381 4.120 -0.001 0.000 0.266 85 V C -0.201 175.987 176.094 0.156 0.000 1.045 85 V CA -0.654 61.667 62.300 0.035 0.000 0.899 85 V CB 1.153 33.068 31.823 0.153 0.000 1.006 85 V HN 0.433 nan 8.190 nan 0.000 0.470 86 V N 8.248 128.207 119.914 0.075 0.000 2.294 86 V HA 0.309 4.429 4.120 -0.001 0.000 0.272 86 V C -2.354 173.778 176.094 0.063 0.000 1.027 86 V CA -2.016 60.299 62.300 0.026 0.000 0.823 86 V CB 1.275 33.023 31.823 -0.124 0.000 1.030 86 V HN 0.705 nan 8.190 nan 0.000 0.457 87 P HA 0.320 nan 4.420 nan 0.000 0.271 87 P C -0.821 176.463 177.300 -0.027 0.000 1.216 87 P CA 0.269 63.332 63.100 -0.063 0.000 0.771 87 P CB 0.322 31.812 31.700 -0.349 0.000 0.864 88 H N -0.927 118.126 119.070 -0.028 0.000 3.008 88 H HA 0.796 5.352 4.556 -0.001 0.000 0.354 88 H C -1.424 174.002 175.328 0.163 0.000 1.252 88 H CA -1.153 54.789 56.048 -0.177 0.000 1.117 88 H CB 1.084 30.695 29.762 -0.252 0.000 1.857 88 H HN 0.176 nan 8.280 nan 0.000 0.547 89 S N 0.709 116.433 115.700 0.041 0.000 2.776 89 S HA 0.198 4.668 4.470 -0.001 0.000 0.284 89 S C -1.782 172.753 174.600 -0.109 0.000 1.160 89 S CA -0.664 57.601 58.200 0.109 0.000 1.051 89 S CB 0.107 63.549 63.200 0.403 0.000 1.037 89 S HN 0.815 nan 8.310 nan 0.000 0.485 90 H N 4.223 123.204 119.070 -0.148 0.000 2.864 90 H HA 0.471 5.027 4.556 -0.000 0.000 0.281 90 H C -0.610 174.314 175.328 -0.673 0.000 1.093 90 H CA 0.216 56.084 56.048 -0.301 0.000 1.453 90 H CB 0.108 29.751 29.762 -0.199 0.000 1.462 90 H HN 0.515 nan 8.280 nan 0.000 0.480 91 N N 4.560 122.608 118.700 -1.086 0.000 2.476 91 N HA 0.135 4.875 4.740 -0.001 0.000 0.257 91 N C -1.311 173.747 175.510 -0.753 0.000 0.970 91 N CA -0.679 51.558 53.050 -1.354 0.000 0.938 91 N CB 1.026 38.992 38.487 -0.867 0.000 1.144 91 N HN 0.540 nan 8.380 nan 0.000 0.500 92 D N 2.453 122.496 120.400 -0.595 0.000 2.343 92 D HA 0.116 4.756 4.640 -0.001 0.000 0.255 92 D C -2.053 174.343 176.300 0.161 0.000 1.187 92 D CA -1.104 52.812 54.000 -0.141 0.000 0.875 92 D CB 1.281 42.247 40.800 0.277 0.000 1.136 92 D HN 0.252 nan 8.370 nan 0.000 0.469 93 P HA 0.194 nan 4.420 nan 0.000 0.226 93 P C -0.087 177.420 177.300 0.345 0.000 1.783 93 P CA 0.045 63.171 63.100 0.043 0.000 0.980 93 P CB 0.193 31.756 31.700 -0.229 0.000 1.967 94 G N 0.128 109.324 108.800 0.658 0.000 2.906 94 G HA2 0.034 3.994 3.960 -0.001 0.000 0.686 94 G HA3 0.034 3.994 3.960 -0.001 0.000 0.686 94 G C -1.128 174.321 174.900 0.917 0.000 1.170 94 G CA -0.666 44.854 45.100 0.700 0.000 0.775 94 G HN 0.329 nan 8.290 nan 0.000 0.630 95 W N 1.831 123.458 121.300 0.544 0.000 4.506 95 W HA 0.179 4.839 4.660 -0.000 0.000 0.159 95 W C 1.710 178.402 176.519 0.288 0.000 3.471 95 W CA 1.292 58.928 57.345 0.485 0.000 1.165 95 W CB -0.898 28.939 29.460 0.629 0.000 2.094 95 W HN 0.958 nan 8.180 nan 0.000 0.385 96 I N 0.765 121.332 120.570 -0.005 0.000 3.603 96 I HA 0.315 4.484 4.170 -0.001 0.000 0.297 96 I C 0.290 176.290 176.117 -0.195 0.000 1.269 96 I CA 0.590 61.709 61.300 -0.303 0.000 1.361 96 I CB 0.035 37.756 38.000 -0.466 0.000 1.063 96 I HN -0.016 nan 8.210 nan 0.000 0.448 97 Q N 1.473 121.021 119.800 -0.421 0.000 2.484 97 Q HA 0.380 4.720 4.340 -0.001 0.000 0.285 97 Q C -0.384 175.346 176.000 -0.451 0.000 1.097 97 Q CA -0.746 54.729 55.803 -0.547 0.000 0.802 97 Q CB 2.432 30.531 28.738 -1.065 0.000 1.444 97 Q HN 0.341 nan 8.270 nan 0.000 0.429 98 T N -2.233 112.169 114.554 -0.254 0.000 2.788 98 T HA 0.171 4.520 4.350 -0.001 0.000 0.287 98 T C 0.813 175.583 174.700 0.117 0.000 1.007 98 T CA -0.467 61.566 62.100 -0.111 0.000 1.005 98 T CB 0.321 69.152 68.868 -0.061 0.000 1.012 98 T HN 0.562 nan 8.240 nan 0.000 0.530 99 F N 1.170 121.179 119.950 0.098 0.000 2.065 99 F HA -0.096 4.431 4.527 -0.001 0.000 0.298 99 F C 2.476 178.456 175.800 0.300 0.000 1.112 99 F CA 2.297 60.433 58.000 0.227 0.000 1.212 99 F CB -0.420 38.611 39.000 0.052 0.000 0.975 99 F HN 0.758 nan 8.300 nan 0.000 0.476 100 E N 0.492 120.874 120.200 0.303 0.000 2.110 100 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 100 E C 2.019 178.655 176.600 0.059 0.000 0.988 100 E CA 1.758 58.277 56.400 0.199 0.000 0.804 100 E CB -0.310 29.517 29.700 0.212 0.000 0.745 100 E HN 0.630 nan 8.360 nan 0.000 0.458 101 E N -1.037 119.137 120.200 -0.044 0.000 2.051 101 E HA -0.193 4.157 4.350 -0.001 0.000 0.192 101 E C 1.870 178.235 176.600 -0.392 0.000 0.991 101 E CA 1.149 57.354 56.400 -0.324 0.000 0.799 101 E CB -0.269 29.294 29.700 -0.228 0.000 0.748 101 E HN 0.352 nan 8.360 nan 0.000 0.449 102 Y N -0.450 119.784 120.300 -0.110 0.000 2.224 102 Y HA -0.243 4.307 4.550 -0.000 0.000 0.289 102 Y C 2.195 178.041 175.900 -0.089 0.000 1.146 102 Y CA 1.095 59.135 58.100 -0.100 0.000 1.182 102 Y CB -0.708 37.793 38.460 0.068 0.000 0.983 102 Y HN 0.184 nan 8.280 nan 0.000 0.524 103 Y N 0.880 121.200 120.300 0.033 0.000 2.145 103 Y HA -0.277 4.272 4.550 -0.001 0.000 0.286 103 Y C 2.298 178.176 175.900 -0.036 0.000 1.145 103 Y CA 1.882 59.960 58.100 -0.038 0.000 1.148 103 Y CB -0.372 38.046 38.460 -0.070 0.000 0.981 103 Y HN 0.041 nan 8.280 nan 0.000 0.507 104 Q N -0.566 119.153 119.800 -0.135 0.000 2.119 104 Q HA -0.171 4.169 4.340 -0.001 0.000 0.201 104 Q C 2.119 178.146 176.000 0.045 0.000 0.972 104 Q CA 2.162 57.881 55.803 -0.141 0.000 0.847 104 Q CB -0.595 28.119 28.738 -0.040 0.000 0.903 104 Q HN 0.782 nan 8.270 nan 0.000 0.433 105 H N -0.793 118.308 119.070 0.053 0.000 2.448 105 H HA 0.049 4.604 4.556 -0.001 0.000 0.292 105 H C 0.921 176.350 175.328 0.168 0.000 1.035 105 H CA 0.613 56.723 56.048 0.103 0.000 1.349 105 H CB 0.654 30.441 29.762 0.042 0.000 1.425 105 H HN 0.204 nan 8.280 nan 0.000 0.539 106 D N -0.907 119.620 120.400 0.211 0.000 3.081 106 D HA 0.002 4.642 4.640 -0.001 0.000 0.243 106 D C 1.862 178.242 176.300 0.132 0.000 1.388 106 D CA 0.535 54.648 54.000 0.189 0.000 1.245 106 D CB -0.094 40.736 40.800 0.051 0.000 1.319 106 D HN 0.059 nan 8.370 nan 0.000 0.377 107 T N 2.800 117.366 114.554 0.019 0.000 2.665 107 T HA -0.215 4.135 4.350 -0.001 0.000 0.268 107 T C 1.927 176.474 174.700 -0.255 0.000 1.035 107 T CA 1.974 64.029 62.100 -0.074 0.000 1.151 107 T CB -0.262 68.417 68.868 -0.316 0.000 0.862 107 T HN 0.274 nan 8.240 nan 0.000 0.438 108 K N 0.680 120.744 120.400 -0.560 0.000 2.209 108 K HA -0.157 4.163 4.320 -0.001 0.000 0.204 108 K C 1.995 178.332 176.600 -0.438 0.000 1.048 108 K CA 1.477 57.403 56.287 -0.602 0.000 0.940 108 K CB -0.370 31.573 32.500 -0.929 0.000 0.729 108 K HN 0.433 nan 8.250 nan 0.000 0.451 109 H N 0.946 119.943 119.070 -0.121 0.000 2.372 109 H HA 0.068 4.623 4.556 -0.001 0.000 0.301 109 H C 2.278 177.617 175.328 0.019 0.000 1.065 109 H CA 1.359 57.399 56.048 -0.014 0.000 1.364 109 H CB -0.113 29.668 29.762 0.033 0.000 1.406 109 H HN 0.182 nan 8.280 nan 0.000 0.521 110 I N 0.794 121.450 120.570 0.143 0.000 2.163 110 I HA -0.271 3.899 4.170 -0.001 0.000 0.243 110 I C 2.446 178.600 176.117 0.061 0.000 1.085 110 I CA 1.102 62.536 61.300 0.223 0.000 1.347 110 I CB -0.253 37.938 38.000 0.318 0.000 1.044 110 I HN 0.098 nan 8.210 nan 0.000 0.408 111 L N -0.461 120.583 121.223 -0.298 0.000 2.093 111 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 111 L C 2.711 179.268 176.870 -0.522 0.000 1.085 111 L CA 1.181 55.627 54.840 -0.656 0.000 0.755 111 L CB -0.494 40.668 42.059 -1.494 0.000 0.904 111 L HN 0.246 nan 8.230 nan 0.000 0.435 112 S N 0.144 115.631 115.700 -0.355 0.000 2.368 112 S HA -0.125 4.345 4.470 -0.001 0.000 0.224 112 S C 1.768 176.359 174.600 -0.015 0.000 1.029 112 S CA 1.307 59.535 58.200 0.045 0.000 0.988 112 S CB -0.126 63.173 63.200 0.165 0.000 0.838 112 S HN 0.438 nan 8.310 nan 0.000 0.462 113 N N 1.566 120.261 118.700 -0.008 0.000 2.409 113 N HA 0.138 4.877 4.740 -0.001 0.000 0.179 113 N C 1.709 176.979 175.510 -0.400 0.000 1.032 113 N CA 1.006 54.020 53.050 -0.059 0.000 0.898 113 N CB -0.624 37.955 38.487 0.153 0.000 0.971 113 N HN 0.502 nan 8.380 nan 0.000 0.441 114 A N 0.956 123.575 122.820 -0.334 0.000 1.898 114 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 114 A C 2.186 179.519 177.584 -0.419 0.000 1.181 114 A CA 0.781 52.461 52.037 -0.595 0.000 0.620 114 A CB -0.623 18.285 19.000 -0.153 0.000 0.819 114 A HN 0.200 nan 8.150 nan 0.000 0.442 115 L N 0.053 121.167 121.223 -0.182 0.000 2.012 115 L HA -0.159 4.181 4.340 -0.001 0.000 0.210 115 L C 2.486 179.278 176.870 -0.130 0.000 1.073 115 L CA 2.070 56.869 54.840 -0.068 0.000 0.748 115 L CB -0.640 41.446 42.059 0.046 0.000 0.891 115 L HN 0.366 nan 8.230 nan 0.000 0.431 116 R N -1.537 118.838 120.500 -0.209 0.000 2.070 116 R HA -0.156 4.183 4.340 -0.001 0.000 0.233 116 R C 2.356 178.443 176.300 -0.355 0.000 1.137 116 R CA 1.622 57.555 56.100 -0.277 0.000 0.945 116 R CB -0.738 29.368 30.300 -0.323 0.000 0.845 116 R HN 0.535 nan 8.270 nan 0.000 0.430 117 H N 0.455 119.239 119.070 -0.477 0.000 2.389 117 H HA -0.040 4.516 4.556 -0.001 0.000 0.299 117 H C 2.225 177.337 175.328 -0.359 0.000 1.081 117 H CA 1.259 57.004 56.048 -0.505 0.000 1.345 117 H CB 0.045 29.218 29.762 -0.981 0.000 1.393 117 H HN 0.177 nan 8.280 nan 0.000 0.520 118 L N -0.077 120.978 121.223 -0.280 0.000 2.109 118 L HA -0.152 4.187 4.340 -0.001 0.000 0.207 118 L C 2.753 179.593 176.870 -0.050 0.000 1.086 118 L CA 0.849 55.604 54.840 -0.141 0.000 0.760 118 L CB -0.534 41.454 42.059 -0.118 0.000 0.910 118 L HN 0.363 nan 8.230 nan 0.000 0.437 119 H N 0.816 119.812 119.070 -0.123 0.000 2.321 119 H HA -0.186 4.370 4.556 -0.001 0.000 0.300 119 H C 1.240 176.527 175.328 -0.070 0.000 1.087 119 H CA 1.954 57.955 56.048 -0.078 0.000 1.319 119 H CB 0.163 29.877 29.762 -0.080 0.000 1.379 119 H HN 0.314 nan 8.280 nan 0.000 0.501 120 D N 0.249 120.695 120.400 0.077 0.000 2.347 120 D HA -0.034 4.606 4.640 -0.001 0.000 0.215 120 D C -0.078 176.216 176.300 -0.010 0.000 0.976 120 D CA 0.482 54.502 54.000 0.034 0.000 0.884 120 D CB -0.182 40.626 40.800 0.013 0.000 0.915 120 D HN 0.413 nan 8.370 nan 0.000 0.526 121 N N 0.886 119.578 118.700 -0.014 0.000 2.716 121 N HA 0.121 4.860 4.740 -0.001 0.000 0.253 121 N C -1.992 173.526 175.510 0.012 0.000 1.170 121 N CA -1.064 51.999 53.050 0.022 0.000 0.807 121 N CB 2.275 40.800 38.487 0.063 0.000 1.183 121 N HN -0.154 nan 8.380 nan 0.000 0.524 122 P HA -0.217 nan 4.420 nan 0.000 0.217 122 P C 0.616 177.944 177.300 0.047 0.000 1.148 122 P CA 1.419 64.520 63.100 0.002 0.000 0.834 122 P CB 0.607 32.301 31.700 -0.011 0.000 0.783 123 E N -1.568 118.690 120.200 0.096 0.000 2.371 123 E HA 0.057 4.407 4.350 -0.001 0.000 0.194 123 E C 1.022 177.753 176.600 0.219 0.000 1.012 123 E CA 0.005 56.504 56.400 0.165 0.000 0.860 123 E CB -0.619 29.212 29.700 0.218 0.000 0.811 123 E HN 0.159 nan 8.360 nan 0.000 0.502 124 M N 1.086 120.753 119.600 0.112 0.000 2.248 124 M HA 0.130 4.610 4.480 -0.001 0.000 0.337 124 M C -0.650 175.628 176.300 -0.036 0.000 1.121 124 M CA 0.246 55.501 55.300 -0.076 0.000 1.155 124 M CB 0.461 32.992 32.600 -0.115 0.000 1.514 124 M HN -0.347 nan 8.290 nan 0.000 0.452 125 K N 3.263 123.609 120.400 -0.090 0.000 2.400 125 K HA 0.664 4.984 4.320 -0.001 0.000 0.246 125 K C -1.694 174.947 176.600 0.068 0.000 0.995 125 K CA -0.454 55.842 56.287 0.015 0.000 0.840 125 K CB 1.981 34.518 32.500 0.063 0.000 1.293 125 K HN 0.682 nan 8.250 nan 0.000 0.445 126 F N 1.426 121.290 119.950 -0.142 0.000 2.654 126 F HA 0.415 4.942 4.527 -0.001 0.000 0.314 126 F C -1.390 174.299 175.800 -0.185 0.000 1.116 126 F CA -1.249 56.652 58.000 -0.166 0.000 1.017 126 F CB 0.970 39.950 39.000 -0.034 0.000 1.285 126 F HN 0.441 nan 8.300 nan 0.000 0.448 127 I N 2.062 122.239 120.570 -0.656 0.000 2.562 127 I HA 0.585 4.755 4.170 -0.001 0.000 0.301 127 I C -1.679 173.982 176.117 -0.759 0.000 1.003 127 I CA -0.586 60.318 61.300 -0.659 0.000 1.127 127 I CB 2.422 39.990 38.000 -0.721 0.000 1.304 127 I HN 0.699 nan 8.210 nan 0.000 0.446 128 W N 4.827 125.704 121.300 -0.705 0.000 2.839 128 W HA 0.630 5.290 4.660 -0.001 0.000 0.334 128 W C -0.665 175.753 176.519 -0.170 0.000 1.064 128 W CA -0.524 56.539 57.345 -0.469 0.000 1.236 128 W CB 2.651 31.858 29.460 -0.421 0.000 1.405 128 W HN 0.804 nan 8.180 nan 0.000 0.478 129 A N 3.504 125.958 122.820 -0.610 0.000 1.970 129 A HA 0.125 4.444 4.320 -0.001 0.000 0.204 129 A C 0.105 177.632 177.584 -0.095 0.000 1.325 129 A CA 0.471 52.379 52.037 -0.215 0.000 0.767 129 A CB -0.154 18.781 19.000 -0.109 0.000 0.949 129 A HN 0.525 nan 8.150 nan 0.000 0.481 130 E N 1.346 121.379 120.200 -0.279 0.000 1.932 130 E HA 0.231 4.580 4.350 -0.001 0.000 0.275 130 E C 0.509 177.265 176.600 0.260 0.000 1.159 130 E CA -0.212 56.189 56.400 0.002 0.000 0.905 130 E CB 0.435 30.143 29.700 0.014 0.000 1.059 130 E HN 0.325 nan 8.360 nan 0.000 0.400 131 I N 1.546 122.179 120.570 0.104 0.000 2.676 131 I HA -0.211 3.959 4.170 -0.001 0.000 0.259 131 I C 1.941 177.727 176.117 -0.551 0.000 1.194 131 I CA 0.958 62.247 61.300 -0.018 0.000 1.473 131 I CB -1.415 36.609 38.000 0.041 0.000 1.096 131 I HN 0.407 nan 8.210 nan 0.000 0.443 132 S N 0.555 115.660 115.700 -0.993 0.000 2.370 132 S HA -0.238 4.232 4.470 -0.001 0.000 0.226 132 S C 2.185 176.498 174.600 -0.478 0.000 1.033 132 S CA 1.146 58.353 58.200 -1.656 0.000 1.011 132 S CB -1.040 61.213 63.200 -1.578 0.000 0.852 132 S HN 0.472 nan 8.310 nan 0.000 0.457 133 Y N -0.019 120.310 120.300 0.049 0.000 2.220 133 Y HA 0.057 4.607 4.550 -0.001 0.000 0.291 133 Y C 2.283 178.272 175.900 0.147 0.000 1.129 133 Y CA 0.988 59.228 58.100 0.232 0.000 1.161 133 Y CB -0.362 38.341 38.460 0.404 0.000 0.997 133 Y HN 0.282 nan 8.280 nan 0.000 0.522 134 F N 0.205 120.254 119.950 0.165 0.000 2.134 134 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 134 F C 2.324 177.982 175.800 -0.238 0.000 1.097 134 F CA 1.202 59.173 58.000 -0.049 0.000 1.264 134 F CB -0.550 38.407 39.000 -0.071 0.000 1.001 134 F HN -0.015 nan 8.300 nan 0.000 0.479 135 A N 0.050 122.529 122.820 -0.569 0.000 1.902 135 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 135 A C 2.177 179.679 177.584 -0.136 0.000 1.181 135 A CA 1.735 53.312 52.037 -0.768 0.000 0.623 135 A CB -0.734 17.711 19.000 -0.925 0.000 0.818 135 A HN 0.365 nan 8.150 nan 0.000 0.443 136 R N -1.066 119.381 120.500 -0.088 0.000 2.105 136 R HA -0.129 4.211 4.340 -0.001 0.000 0.239 136 R C 1.702 177.951 176.300 -0.084 0.000 1.135 136 R CA 1.999 58.051 56.100 -0.081 0.000 0.967 136 R CB -0.811 29.381 30.300 -0.181 0.000 0.861 136 R HN 0.495 nan 8.270 nan 0.000 0.442 137 F N -0.527 119.347 119.950 -0.127 0.000 2.149 137 F HA -0.045 4.482 4.527 -0.001 0.000 0.294 137 F C 1.825 177.551 175.800 -0.124 0.000 1.095 137 F CA 1.186 59.183 58.000 -0.005 0.000 1.276 137 F CB -0.704 38.268 39.000 -0.048 0.000 1.023 137 F HN 0.079 nan 8.300 nan 0.000 0.480 138 Y N 0.690 120.754 120.300 -0.394 0.000 2.128 138 Y HA -0.289 4.260 4.550 -0.000 0.000 0.284 138 Y C 2.674 178.328 175.900 -0.409 0.000 1.154 138 Y CA 2.378 60.202 58.100 -0.460 0.000 1.149 138 Y CB -0.824 37.454 38.460 -0.304 0.000 0.976 138 Y HN 0.141 nan 8.280 nan 0.000 0.505 139 H N -0.956 118.080 119.070 -0.056 0.000 2.561 139 H HA -0.045 4.511 4.556 -0.001 0.000 0.278 139 H C 0.709 175.929 175.328 -0.180 0.000 1.014 139 H CA 1.306 57.289 56.048 -0.109 0.000 1.211 139 H CB -0.055 29.709 29.762 0.005 0.000 1.365 139 H HN 0.456 nan 8.280 nan 0.000 0.594 140 D N -0.069 120.226 120.400 -0.176 0.000 2.369 140 D HA 0.137 4.776 4.640 -0.001 0.000 0.211 140 D C 0.407 176.526 176.300 -0.302 0.000 1.077 140 D CA 0.039 53.932 54.000 -0.179 0.000 0.842 140 D CB 0.587 41.323 40.800 -0.107 0.000 0.947 140 D HN 0.175 nan 8.370 nan 0.000 0.509 141 L N 0.299 121.252 121.223 -0.449 0.000 2.357 141 L HA 0.486 4.825 4.340 -0.001 0.000 0.273 141 L C 1.283 177.964 176.870 -0.315 0.000 1.080 141 L CA -0.878 53.691 54.840 -0.453 0.000 0.803 141 L CB 1.315 43.012 42.059 -0.602 0.000 1.174 141 L HN -0.047 nan 8.230 nan 0.000 0.443 142 G N 0.152 108.817 108.800 -0.225 0.000 2.599 142 G HA2 0.090 4.050 3.960 -0.001 0.000 0.264 142 G HA3 0.090 4.050 3.960 -0.001 0.000 0.264 142 G C 0.598 175.405 174.900 -0.155 0.000 1.200 142 G CA -0.240 44.769 45.100 -0.153 0.000 0.896 142 G HN 0.742 nan 8.290 nan 0.000 0.536 143 E N 0.073 120.212 120.200 -0.101 0.000 2.160 143 E HA -0.195 4.155 4.350 -0.001 0.000 0.195 143 E C 2.088 178.657 176.600 -0.051 0.000 0.991 143 E CA 1.463 57.821 56.400 -0.070 0.000 0.810 143 E CB -0.162 29.520 29.700 -0.030 0.000 0.742 143 E HN 0.566 nan 8.360 nan 0.000 0.466 144 N N 0.185 118.853 118.700 -0.053 0.000 2.084 144 N HA -0.168 4.571 4.740 -0.001 0.000 0.190 144 N C 1.419 176.906 175.510 -0.039 0.000 1.030 144 N CA 1.302 54.330 53.050 -0.038 0.000 0.849 144 N CB 0.021 38.481 38.487 -0.044 0.000 1.012 144 N HN 0.031 nan 8.380 nan 0.000 0.423 145 K N 1.255 121.611 120.400 -0.073 0.000 2.103 145 K HA -0.017 4.302 4.320 -0.001 0.000 0.204 145 K C 2.032 178.614 176.600 -0.030 0.000 1.052 145 K CA 0.679 56.926 56.287 -0.065 0.000 0.945 145 K CB -0.220 32.210 32.500 -0.117 0.000 0.722 145 K HN 0.307 nan 8.250 nan 0.000 0.443 146 K N 0.809 121.151 120.400 -0.097 0.000 2.103 146 K HA -0.063 4.256 4.320 -0.001 0.000 0.207 146 K C 2.239 178.930 176.600 0.152 0.000 1.048 146 K CA 1.003 57.268 56.287 -0.037 0.000 0.930 146 K CB -0.164 32.209 32.500 -0.213 0.000 0.716 146 K HN 0.047 nan 8.250 nan 0.000 0.444 147 L N 0.876 122.151 121.223 0.087 0.000 2.093 147 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 147 L C 2.530 179.473 176.870 0.122 0.000 1.085 147 L CA 1.211 56.115 54.840 0.106 0.000 0.755 147 L CB -0.366 41.733 42.059 0.066 0.000 0.904 147 L HN 0.244 nan 8.230 nan 0.000 0.435 148 Q N -0.841 119.022 119.800 0.105 0.000 2.119 148 Q HA -0.245 4.094 4.340 -0.001 0.000 0.201 148 Q C 2.205 178.307 176.000 0.171 0.000 0.972 148 Q CA 1.509 57.390 55.803 0.131 0.000 0.847 148 Q CB -0.150 28.637 28.738 0.081 0.000 0.903 148 Q HN 0.356 nan 8.270 nan 0.000 0.433 149 M N 1.205 120.930 119.600 0.209 0.000 2.099 149 M HA -0.141 4.339 4.480 -0.001 0.000 0.262 149 M C 1.602 178.083 176.300 0.302 0.000 1.067 149 M CA 1.769 57.251 55.300 0.303 0.000 1.124 149 M CB 0.005 32.873 32.600 0.447 0.000 1.353 149 M HN -0.099 nan 8.290 nan 0.000 0.410 150 K N -0.372 120.200 120.400 0.286 0.000 2.103 150 K HA -0.140 4.179 4.320 -0.001 0.000 0.207 150 K C 2.034 178.731 176.600 0.161 0.000 1.048 150 K CA 1.736 58.160 56.287 0.228 0.000 0.930 150 K CB -0.405 32.213 32.500 0.196 0.000 0.716 150 K HN 0.601 nan 8.250 nan 0.000 0.444 151 S N 1.594 117.379 115.700 0.142 0.000 2.371 151 S HA -0.121 4.349 4.470 -0.001 0.000 0.224 151 S C 2.104 176.755 174.600 0.085 0.000 1.029 151 S CA 1.099 59.360 58.200 0.101 0.000 0.978 151 S CB -0.712 62.544 63.200 0.093 0.000 0.833 151 S HN 0.470 nan 8.310 nan 0.000 0.466 152 I N -0.436 120.195 120.570 0.101 0.000 2.830 152 I HA 0.086 4.256 4.170 -0.001 0.000 0.263 152 I C 1.907 178.058 176.117 0.056 0.000 1.230 152 I CA 0.488 61.829 61.300 0.068 0.000 1.480 152 I CB -0.373 37.669 38.000 0.070 0.000 1.095 152 I HN 0.140 nan 8.210 nan 0.000 0.455 153 V N 1.502 121.472 119.914 0.093 0.000 2.379 153 V HA -0.155 3.964 4.120 -0.001 0.000 0.243 153 V C 2.667 178.802 176.094 0.068 0.000 1.035 153 V CA 1.770 64.119 62.300 0.081 0.000 1.035 153 V CB -0.642 31.298 31.823 0.195 0.000 0.673 153 V HN 0.402 nan 8.190 nan 0.000 0.457 154 K N 1.459 121.906 120.400 0.078 0.000 2.152 154 K HA -0.228 4.091 4.320 -0.001 0.000 0.206 154 K C 1.739 178.359 176.600 0.033 0.000 1.048 154 K CA 1.866 58.186 56.287 0.054 0.000 0.933 154 K CB -0.190 32.343 32.500 0.055 0.000 0.721 154 K HN 0.666 nan 8.250 nan 0.000 0.447 155 N N -0.683 118.035 118.700 0.029 0.000 2.398 155 N HA -0.003 4.736 4.740 -0.001 0.000 0.188 155 N C 0.868 176.383 175.510 0.009 0.000 1.122 155 N CA 1.077 54.136 53.050 0.016 0.000 0.866 155 N CB 0.452 38.946 38.487 0.010 0.000 0.970 155 N HN 0.307 nan 8.380 nan 0.000 0.462 156 G N -0.192 108.612 108.800 0.006 0.000 2.176 156 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.253 156 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.253 156 G C 0.800 175.692 174.900 -0.013 0.000 0.979 156 G CA 0.468 45.563 45.100 -0.007 0.000 0.641 156 G HN 0.451 nan 8.290 nan 0.000 0.530 157 Q N -1.205 118.592 119.800 -0.005 0.000 2.096 157 Q HA 0.210 4.550 4.340 -0.001 0.000 0.197 157 Q C 1.124 177.117 176.000 -0.012 0.000 0.964 157 Q CA 0.784 56.587 55.803 0.001 0.000 0.838 157 Q CB 0.191 28.933 28.738 0.006 0.000 0.906 157 Q HN 0.452 nan 8.270 nan 0.000 0.444 158 L N 1.731 122.927 121.223 -0.046 0.000 2.280 158 L HA 0.373 4.712 4.340 -0.001 0.000 0.287 158 L C -1.007 175.692 176.870 -0.286 0.000 1.023 158 L CA 0.081 54.843 54.840 -0.131 0.000 0.819 158 L CB 1.367 43.354 42.059 -0.121 0.000 1.212 158 L HN 0.106 nan 8.230 nan 0.000 0.420 159 E N 4.715 124.706 120.200 -0.349 0.000 2.210 159 E HA 0.388 4.738 4.350 -0.001 0.000 0.266 159 E C -1.575 174.756 176.600 -0.448 0.000 0.883 159 E CA -0.664 55.538 56.400 -0.330 0.000 0.761 159 E CB 1.417 31.005 29.700 -0.187 0.000 1.156 159 E HN 0.482 nan 8.360 nan 0.000 0.412 160 F N 3.338 123.236 119.950 -0.087 0.000 2.410 160 F HA 0.245 4.771 4.527 -0.001 0.000 0.348 160 F C 0.207 175.975 175.800 -0.054 0.000 1.106 160 F CA -0.654 57.306 58.000 -0.066 0.000 1.163 160 F CB 1.330 40.308 39.000 -0.037 0.000 1.129 160 F HN 0.194 nan 8.300 nan 0.000 0.516 161 V N 0.224 120.191 119.914 0.088 0.000 2.459 161 V HA 0.628 4.748 4.120 -0.001 0.000 0.295 161 V C 0.241 176.462 176.094 0.211 0.000 1.029 161 V CA -0.530 61.826 62.300 0.092 0.000 0.874 161 V CB 0.832 32.604 31.823 -0.084 0.000 0.985 161 V HN 1.004 nan 8.190 nan 0.000 0.438 162 T N 3.211 117.965 114.554 0.333 0.000 13.097 162 T HA -0.284 4.066 4.350 -0.001 0.000 0.418 162 T C 1.656 176.587 174.700 0.384 0.000 1.446 162 T CA 2.663 65.000 62.100 0.396 0.000 2.371 162 T CB -1.675 67.326 68.868 0.221 0.000 2.810 162 T HN 2.765 nan 8.240 nan 0.000 0.655 163 G N 1.859 110.823 108.800 0.272 0.000 2.137 163 G HA2 0.136 4.096 3.960 -0.001 0.000 0.237 163 G HA3 0.136 4.096 3.960 -0.001 0.000 0.237 163 G C 0.244 175.286 174.900 0.237 0.000 1.002 163 G CA 0.576 45.816 45.100 0.233 0.000 0.702 163 G HN 1.527 nan 8.290 nan 0.000 0.515 164 G N -1.800 107.134 108.800 0.223 0.000 2.504 164 G HA2 0.419 4.379 3.960 -0.001 0.000 0.288 164 G HA3 0.419 4.379 3.960 -0.001 0.000 0.288 164 G C 0.914 175.983 174.900 0.283 0.000 1.182 164 G CA 0.026 45.269 45.100 0.239 0.000 0.894 164 G HN 0.321 nan 8.290 nan 0.000 0.521 165 W N 0.408 121.748 121.300 0.067 0.000 2.350 165 W HA -0.020 4.640 4.660 -0.001 0.000 0.289 165 W C 0.610 177.151 176.519 0.037 0.000 1.215 165 W CA 1.887 59.254 57.345 0.037 0.000 1.236 165 W CB 0.282 29.746 29.460 0.006 0.000 1.130 165 W HN 0.411 nan 8.180 nan 0.000 0.541 166 V N -2.892 117.131 119.914 0.183 0.000 3.103 166 V HA 0.492 4.611 4.120 -0.001 0.000 0.311 166 V C -0.550 175.627 176.094 0.138 0.000 1.322 166 V CA -1.260 61.096 62.300 0.092 0.000 1.063 166 V CB 1.763 33.654 31.823 0.114 0.000 1.090 166 V HN -0.082 nan 8.190 nan 0.000 0.462 167 M N 3.989 123.700 119.600 0.186 0.000 2.208 167 M HA 0.500 4.979 4.480 -0.001 0.000 0.352 167 M C -2.664 173.796 176.300 0.267 0.000 1.137 167 M CA -1.961 53.463 55.300 0.207 0.000 1.091 167 M CB 1.351 34.103 32.600 0.252 0.000 1.309 167 M HN 0.684 nan 8.290 nan 0.000 0.408 168 P HA 0.046 nan 4.420 nan 0.000 0.269 168 P C -0.925 176.390 177.300 0.025 0.000 1.215 168 P CA 0.007 63.161 63.100 0.090 0.000 0.780 168 P CB 0.539 32.277 31.700 0.064 0.000 0.898 169 D N 0.819 121.203 120.400 -0.026 0.000 2.382 169 D HA -0.024 4.616 4.640 -0.001 0.000 0.240 169 D C 0.551 176.867 176.300 0.027 0.000 1.146 169 D CA 0.345 54.308 54.000 -0.061 0.000 0.897 169 D CB 0.420 41.197 40.800 -0.038 0.000 1.197 169 D HN 0.321 nan 8.370 nan 0.000 0.432 170 E N 1.148 121.410 120.200 0.103 0.000 2.562 170 E HA 0.228 4.577 4.350 -0.001 0.000 0.214 170 E C 0.655 177.440 176.600 0.308 0.000 0.979 170 E CA -0.075 56.447 56.400 0.204 0.000 1.002 170 E CB 0.803 30.634 29.700 0.218 0.000 1.048 170 E HN 0.487 nan 8.360 nan 0.000 0.488 171 A N 1.251 124.194 122.820 0.204 0.000 1.909 171 A HA 0.040 4.360 4.320 -0.001 0.000 0.209 171 A C 1.788 179.265 177.584 -0.178 0.000 1.247 171 A CA 0.458 52.397 52.037 -0.162 0.000 0.660 171 A CB 0.048 18.937 19.000 -0.186 0.000 0.910 171 A HN 0.037 nan 8.150 nan 0.000 0.465 172 N N 0.898 119.579 118.700 -0.032 0.000 2.405 172 N HA -0.002 4.737 4.740 -0.001 0.000 0.175 172 N C 0.569 176.069 175.510 -0.017 0.000 1.051 172 N CA 0.787 53.814 53.050 -0.039 0.000 0.899 172 N CB -0.028 38.477 38.487 0.030 0.000 1.000 172 N HN 0.509 nan 8.380 nan 0.000 0.451 173 S N 0.855 116.556 115.700 0.001 0.000 2.562 173 S HA 0.005 4.475 4.470 -0.001 0.000 0.281 173 S C 0.001 174.619 174.600 0.029 0.000 1.333 173 S CA -0.499 57.712 58.200 0.018 0.000 1.052 173 S CB 1.058 64.271 63.200 0.023 0.000 0.884 173 S HN 0.219 nan 8.310 nan 0.000 0.506 174 H N 3.350 122.400 119.070 -0.034 0.000 2.525 174 H HA 0.078 4.634 4.556 -0.000 0.000 0.339 174 H C 1.224 176.529 175.328 -0.040 0.000 1.109 174 H CA -0.468 55.551 56.048 -0.049 0.000 1.352 174 H CB 0.614 30.301 29.762 -0.125 0.000 1.461 174 H HN 1.030 nan 8.280 nan 0.000 0.533 175 W N 5.768 126.976 121.300 -0.154 0.000 2.331 175 W HA -0.171 4.488 4.660 -0.000 0.000 0.291 175 W C 1.009 177.593 176.519 0.109 0.000 1.214 175 W CA 0.409 57.733 57.345 -0.034 0.000 1.228 175 W CB -0.482 28.894 29.460 -0.140 0.000 1.135 175 W HN 0.535 nan 8.180 nan 0.000 0.537 176 R N 0.751 120.875 120.500 -0.627 0.000 2.096 176 R HA -0.130 4.210 4.340 -0.001 0.000 0.235 176 R C 2.007 178.139 176.300 -0.281 0.000 1.127 176 R CA 1.854 57.488 56.100 -0.777 0.000 0.968 176 R CB -0.402 29.392 30.300 -0.843 0.000 0.861 176 R HN 0.145 nan 8.270 nan 0.000 0.440 177 N N -0.211 118.410 118.700 -0.131 0.000 2.376 177 N HA -0.052 4.687 4.740 -0.001 0.000 0.177 177 N C 1.682 177.190 175.510 -0.003 0.000 1.024 177 N CA 0.661 53.674 53.050 -0.062 0.000 0.893 177 N CB 0.095 38.565 38.487 -0.028 0.000 0.980 177 N HN 0.006 nan 8.380 nan 0.000 0.439 178 V N 1.317 121.253 119.914 0.036 0.000 2.358 178 V HA -0.150 3.970 4.120 -0.001 0.000 0.246 178 V C 2.290 178.424 176.094 0.067 0.000 1.047 178 V CA 0.986 63.326 62.300 0.067 0.000 1.035 178 V CB -0.410 31.474 31.823 0.101 0.000 0.658 178 V HN 0.184 nan 8.190 nan 0.000 0.452 179 L N -0.335 120.934 121.223 0.077 0.000 2.093 179 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 179 L C 2.147 179.027 176.870 0.016 0.000 1.085 179 L CA 1.711 56.592 54.840 0.069 0.000 0.755 179 L CB -0.633 41.496 42.059 0.117 0.000 0.904 179 L HN 0.270 nan 8.230 nan 0.000 0.435 180 L N 0.027 121.238 121.223 -0.020 0.000 1.989 180 L HA -0.255 4.084 4.340 -0.001 0.000 0.211 180 L C 2.589 179.447 176.870 -0.019 0.000 1.071 180 L CA 2.397 57.214 54.840 -0.038 0.000 0.749 180 L CB -0.824 41.194 42.059 -0.070 0.000 0.890 180 L HN 0.676 nan 8.230 nan 0.000 0.431 181 Q N -0.997 118.812 119.800 0.015 0.000 2.167 181 Q HA -0.189 4.150 4.340 -0.001 0.000 0.202 181 Q C 1.999 178.080 176.000 0.135 0.000 0.970 181 Q CA 2.036 57.883 55.803 0.073 0.000 0.855 181 Q CB -1.123 27.692 28.738 0.129 0.000 0.911 181 Q HN 0.486 nan 8.270 nan 0.000 0.438 182 L N 0.720 122.007 121.223 0.107 0.000 2.056 182 L HA -0.063 4.277 4.340 -0.001 0.000 0.207 182 L C 1.887 178.840 176.870 0.137 0.000 1.078 182 L CA 2.377 57.295 54.840 0.130 0.000 0.749 182 L CB -0.967 41.145 42.059 0.089 0.000 0.901 182 L HN 0.309 nan 8.230 nan 0.000 0.433 183 T N -0.931 113.673 114.554 0.084 0.000 2.821 183 T HA -0.176 4.174 4.350 -0.001 0.000 0.267 183 T C 1.721 176.477 174.700 0.093 0.000 1.046 183 T CA 1.418 63.562 62.100 0.074 0.000 1.139 183 T CB -0.173 68.711 68.868 0.026 0.000 0.871 183 T HN 0.327 nan 8.240 nan 0.000 0.454 184 E N 1.039 121.265 120.200 0.044 0.000 2.077 184 E HA -0.041 4.308 4.350 -0.001 0.000 0.193 184 E C 2.322 179.038 176.600 0.195 0.000 0.989 184 E CA 1.529 57.906 56.400 -0.039 0.000 0.800 184 E CB -0.850 28.636 29.700 -0.356 0.000 0.746 184 E HN 0.452 nan 8.360 nan 0.000 0.452 185 G N -0.081 108.933 108.800 0.356 0.000 2.394 185 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.214 185 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.214 185 G C 1.480 176.609 174.900 0.380 0.000 1.176 185 G CA 0.636 46.039 45.100 0.505 0.000 0.786 185 G HN 0.260 nan 8.290 nan 0.000 0.533 186 Q N -0.117 119.843 119.800 0.266 0.000 2.167 186 Q HA -0.063 4.277 4.340 -0.001 0.000 0.202 186 Q C 2.764 178.874 176.000 0.183 0.000 0.970 186 Q CA 1.449 57.372 55.803 0.200 0.000 0.855 186 Q CB -0.248 28.589 28.738 0.165 0.000 0.911 186 Q HN 0.401 nan 8.270 nan 0.000 0.438 187 T N 0.132 114.805 114.554 0.198 0.000 2.821 187 T HA -0.173 4.177 4.350 -0.001 0.000 0.267 187 T C 1.087 175.905 174.700 0.196 0.000 1.046 187 T CA 1.003 63.196 62.100 0.155 0.000 1.139 187 T CB -0.325 68.628 68.868 0.141 0.000 0.871 187 T HN 0.481 nan 8.240 nan 0.000 0.454 188 W N 1.511 122.919 121.300 0.181 0.000 2.381 188 W HA 0.009 4.669 4.660 -0.001 0.000 0.301 188 W C 1.743 178.406 176.519 0.239 0.000 1.205 188 W CA 0.777 58.313 57.345 0.319 0.000 1.285 188 W CB -0.387 29.329 29.460 0.427 0.000 1.133 188 W HN 0.136 nan 8.180 nan 0.000 0.521 189 L N 0.721 122.191 121.223 0.411 0.000 2.046 189 L HA -0.246 4.094 4.340 -0.001 0.000 0.208 189 L C 2.637 179.463 176.870 -0.074 0.000 1.077 189 L CA 1.912 56.823 54.840 0.118 0.000 0.747 189 L CB -0.951 41.115 42.059 0.011 0.000 0.896 189 L HN -0.029 nan 8.230 nan 0.000 0.432 190 K N -0.015 120.359 120.400 -0.044 0.000 2.057 190 K HA -0.266 4.054 4.320 -0.001 0.000 0.207 190 K C 2.181 178.663 176.600 -0.197 0.000 1.049 190 K CA 1.637 57.870 56.287 -0.090 0.000 0.931 190 K CB -0.019 32.452 32.500 -0.048 0.000 0.714 190 K HN 0.271 nan 8.250 nan 0.000 0.440 191 Q N -0.730 118.884 119.800 -0.310 0.000 2.046 191 Q HA -0.129 4.210 4.340 -0.001 0.000 0.200 191 Q C 1.451 176.974 176.000 -0.795 0.000 0.975 191 Q CA 1.724 57.178 55.803 -0.583 0.000 0.836 191 Q CB 0.031 28.294 28.738 -0.793 0.000 0.896 191 Q HN 0.349 nan 8.270 nan 0.000 0.428 192 F N -1.518 118.074 119.950 -0.596 0.000 2.656 192 F HA 0.158 4.685 4.527 -0.001 0.000 0.291 192 F C 1.699 177.214 175.800 -0.475 0.000 1.122 192 F CA 0.060 57.653 58.000 -0.677 0.000 1.427 192 F CB 0.509 38.688 39.000 -1.367 0.000 1.125 192 F HN 0.093 nan 8.300 nan 0.000 0.583 193 M N -0.802 118.672 119.600 -0.211 0.000 2.292 193 M HA 0.200 4.679 4.480 -0.001 0.000 0.286 193 M C 0.253 176.544 176.300 -0.014 0.000 1.002 193 M CA 0.272 55.547 55.300 -0.041 0.000 1.029 193 M CB -0.540 32.073 32.600 0.021 0.000 1.537 193 M HN 0.093 nan 8.290 nan 0.000 0.543 194 N N 1.888 120.545 118.700 -0.071 0.000 2.740 194 N HA -0.138 4.602 4.740 -0.001 0.000 0.248 194 N C -0.990 174.510 175.510 -0.017 0.000 1.062 194 N CA 0.747 53.767 53.050 -0.050 0.000 0.704 194 N CB -0.966 37.502 38.487 -0.033 0.000 0.968 194 N HN 0.343 nan 8.380 nan 0.000 0.547 195 V N -3.816 116.090 119.914 -0.013 0.000 3.049 195 V HA 0.881 5.001 4.120 -0.001 0.000 0.309 195 V C -0.068 176.021 176.094 -0.009 0.000 1.148 195 V CA -0.426 61.880 62.300 0.009 0.000 0.990 195 V CB 2.369 34.240 31.823 0.080 0.000 1.039 195 V HN 0.063 nan 8.190 nan 0.000 0.430 196 T N 3.877 118.415 114.554 -0.027 0.000 2.985 196 T HA 0.569 4.918 4.350 -0.001 0.000 0.315 196 T C -2.791 171.834 174.700 -0.126 0.000 1.001 196 T CA -0.752 61.313 62.100 -0.058 0.000 1.016 196 T CB 1.363 70.186 68.868 -0.075 0.000 0.993 196 T HN 0.784 nan 8.240 nan 0.000 0.454 197 P HA 0.163 nan 4.420 nan 0.000 0.266 197 P C 0.828 177.739 177.300 -0.647 0.000 1.195 197 P CA -0.143 62.846 63.100 -0.185 0.000 0.768 197 P CB 0.506 32.220 31.700 0.025 0.000 0.838 198 T N -1.543 112.690 114.554 -0.536 0.000 3.040 198 T HA 0.546 4.896 4.350 -0.001 0.000 0.266 198 T C 0.335 174.843 174.700 -0.319 0.000 1.005 198 T CA -0.298 61.367 62.100 -0.724 0.000 0.906 198 T CB 0.167 68.821 68.868 -0.358 0.000 1.082 198 T HN 0.420 nan 8.240 nan 0.000 0.531 199 A N 0.852 123.642 122.820 -0.050 0.000 2.356 199 A HA 0.798 5.117 4.320 -0.001 0.000 0.310 199 A C -0.220 177.621 177.584 0.428 0.000 1.075 199 A CA -0.701 51.454 52.037 0.196 0.000 0.746 199 A CB 1.843 20.958 19.000 0.191 0.000 1.221 199 A HN 0.245 nan 8.150 nan 0.000 0.443 200 S N 2.254 118.193 115.700 0.399 0.000 2.509 200 S HA 0.677 5.147 4.470 -0.001 0.000 0.297 200 S C -1.117 173.668 174.600 0.308 0.000 1.118 200 S CA -0.415 57.963 58.200 0.296 0.000 1.074 200 S CB 0.761 63.968 63.200 0.011 0.000 1.038 200 S HN 0.837 nan 8.310 nan 0.000 0.498 201 W N 4.860 126.174 121.300 0.024 0.000 2.463 201 W HA 0.635 5.295 4.660 -0.001 0.000 0.316 201 W C -1.479 174.986 176.519 -0.091 0.000 1.004 201 W CA -0.842 56.472 57.345 -0.051 0.000 1.309 201 W CB 1.028 30.432 29.460 -0.094 0.000 1.288 201 W HN 0.782 nan 8.180 nan 0.000 0.423 202 A N 8.105 130.771 122.820 -0.256 0.000 2.709 202 A HA 0.293 4.612 4.320 -0.001 0.000 0.332 202 A C 0.346 177.664 177.584 -0.442 0.000 1.241 202 A CA -0.494 51.391 52.037 -0.253 0.000 0.782 202 A CB -0.282 18.693 19.000 -0.042 0.000 1.109 202 A HN 0.723 nan 8.150 nan 0.000 0.472 203 I N -2.552 117.577 120.570 -0.734 0.000 3.860 203 I HA 0.284 4.454 4.170 -0.001 0.000 0.319 203 I C 0.644 176.412 176.117 -0.582 0.000 1.279 203 I CA 0.774 61.610 61.300 -0.774 0.000 1.220 203 I CB 0.437 37.726 38.000 -1.184 0.000 1.027 203 I HN 0.338 nan 8.210 nan 0.000 0.428 204 D N 0.624 120.650 120.400 -0.624 0.000 2.489 204 D HA 0.254 4.894 4.640 -0.001 0.000 0.231 204 D C -2.192 173.654 176.300 -0.756 0.000 1.114 204 D CA -0.814 52.822 54.000 -0.606 0.000 0.842 204 D CB 0.096 40.485 40.800 -0.685 0.000 1.133 204 D HN 0.185 nan 8.370 nan 0.000 0.506 205 P HA 0.014 nan 4.420 nan 0.000 0.266 205 P C -0.470 176.355 177.300 -0.792 0.000 1.195 205 P CA 0.115 62.668 63.100 -0.912 0.000 0.768 205 P CB 0.156 31.491 31.700 -0.608 0.000 0.838 206 F N 2.563 122.272 119.950 -0.401 0.000 2.661 206 F HA 0.517 5.044 4.527 -0.001 0.000 0.356 206 F C 1.462 177.215 175.800 -0.079 0.000 1.244 206 F CA -0.527 57.213 58.000 -0.434 0.000 1.290 206 F CB -1.307 37.568 39.000 -0.209 0.000 1.677 206 F HN 0.461 nan 8.300 nan 0.000 0.649 207 G N 0.917 109.495 108.800 -0.370 0.000 2.539 207 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.686 207 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.686 207 G C -1.560 172.966 174.900 -0.624 0.000 1.258 207 G CA -1.213 43.761 45.100 -0.210 0.000 0.846 207 G HN 0.536 nan 8.290 nan 0.000 0.647 208 H N -0.502 118.270 119.070 -0.498 0.000 2.690 208 H HA 0.781 5.337 4.556 -0.000 0.000 0.368 208 H C -0.295 174.887 175.328 -0.244 0.000 1.150 208 H CA 0.028 55.957 56.048 -0.198 0.000 1.174 208 H CB 2.076 31.887 29.762 0.081 0.000 1.684 208 H HN 0.694 nan 8.280 nan 0.000 0.538 209 S N 2.221 118.042 115.700 0.202 0.000 2.503 209 S HA 0.263 4.732 4.470 -0.001 0.000 0.301 209 S C -1.861 172.756 174.600 0.028 0.000 1.087 209 S CA -1.794 56.538 58.200 0.220 0.000 1.042 209 S CB 1.480 64.872 63.200 0.320 0.000 1.043 209 S HN 0.446 nan 8.310 nan 0.000 0.489 210 P HA 0.018 nan 4.420 nan 0.000 0.234 210 P C 1.031 178.069 177.300 -0.437 0.000 1.167 210 P CA 0.703 63.409 63.100 -0.657 0.000 0.763 210 P CB -0.236 31.239 31.700 -0.375 0.000 0.835 211 T N -0.290 114.143 114.554 -0.202 0.000 2.915 211 T HA -0.066 4.284 4.350 -0.001 0.000 0.269 211 T C 1.845 176.500 174.700 -0.075 0.000 1.071 211 T CA 1.113 63.139 62.100 -0.123 0.000 1.132 211 T CB -0.354 68.480 68.868 -0.055 0.000 0.878 211 T HN -0.013 nan 8.240 nan 0.000 0.479 212 M N 1.045 120.559 119.600 -0.143 0.000 2.059 212 M HA 0.002 4.481 4.480 -0.001 0.000 0.259 212 M C -0.615 175.555 176.300 -0.218 0.000 1.072 212 M CA 1.256 56.471 55.300 -0.142 0.000 1.117 212 M CB -2.477 30.060 32.600 -0.105 0.000 1.320 212 M HN 0.125 nan 8.290 nan 0.000 0.408 213 P HA -0.201 nan 4.420 nan 0.000 0.218 213 P C 1.671 178.849 177.300 -0.203 0.000 1.149 213 P CA 1.429 64.341 63.100 -0.314 0.000 0.817 213 P CB -0.426 30.985 31.700 -0.481 0.000 0.785 214 Y N 1.226 121.343 120.300 -0.306 0.000 2.053 214 Y HA -0.223 4.327 4.550 -0.001 0.000 0.277 214 Y C 2.432 178.253 175.900 -0.132 0.000 1.159 214 Y CA 1.771 59.752 58.100 -0.197 0.000 1.125 214 Y CB -1.007 37.350 38.460 -0.171 0.000 0.969 214 Y HN -0.238 nan 8.280 nan 0.000 0.492 215 I N -0.411 120.187 120.570 0.047 0.000 2.252 215 I HA -0.313 3.857 4.170 -0.001 0.000 0.245 215 I C 2.316 178.370 176.117 -0.105 0.000 1.102 215 I CA 1.217 62.513 61.300 -0.007 0.000 1.385 215 I CB -0.464 37.592 38.000 0.093 0.000 1.064 215 I HN 0.273 nan 8.210 nan 0.000 0.414 216 L N 0.109 121.221 121.223 -0.186 0.000 2.017 216 L HA -0.242 4.097 4.340 -0.001 0.000 0.208 216 L C 2.719 179.578 176.870 -0.018 0.000 1.073 216 L CA 1.305 55.973 54.840 -0.286 0.000 0.745 216 L CB -0.787 40.928 42.059 -0.573 0.000 0.894 216 L HN 0.345 nan 8.230 nan 0.000 0.432 217 Q N 1.118 120.872 119.800 -0.076 0.000 2.170 217 Q HA -0.209 4.131 4.340 -0.001 0.000 0.203 217 Q C 1.696 177.655 176.000 -0.067 0.000 0.976 217 Q CA 1.577 57.351 55.803 -0.049 0.000 0.858 217 Q CB 0.076 28.750 28.738 -0.106 0.000 0.907 217 Q HN 0.480 nan 8.270 nan 0.000 0.433 218 K N -0.530 119.792 120.400 -0.131 0.000 2.458 218 K HA 0.116 4.435 4.320 -0.001 0.000 0.194 218 K C 0.594 177.161 176.600 -0.055 0.000 1.024 218 K CA 0.093 56.297 56.287 -0.138 0.000 1.108 218 K CB 0.540 32.889 32.500 -0.252 0.000 0.846 218 K HN -0.077 nan 8.250 nan 0.000 0.518 219 S N -0.161 115.562 115.700 0.037 0.000 2.741 219 S HA 0.205 4.674 4.470 -0.001 0.000 0.247 219 S C 0.764 175.467 174.600 0.171 0.000 1.050 219 S CA 0.084 58.352 58.200 0.114 0.000 1.025 219 S CB 1.275 64.584 63.200 0.181 0.000 0.897 219 S HN 0.525 nan 8.310 nan 0.000 0.508 220 G N 1.238 110.088 108.800 0.083 0.000 2.179 220 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.260 220 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.260 220 G C 0.001 174.871 174.900 -0.050 0.000 0.977 220 G CA -0.329 44.765 45.100 -0.010 0.000 0.641 220 G HN 0.453 nan 8.290 nan 0.000 0.533 221 F N 0.528 120.439 119.950 -0.066 0.000 2.450 221 F HA 0.533 5.060 4.527 -0.001 0.000 0.339 221 F C 1.686 177.427 175.800 -0.098 0.000 1.146 221 F CA 0.521 58.477 58.000 -0.074 0.000 1.267 221 F CB 0.971 39.931 39.000 -0.068 0.000 1.178 221 F HN -0.058 nan 8.300 nan 0.000 0.585 222 K N 0.557 120.970 120.400 0.022 0.000 2.464 222 K HA 0.222 4.541 4.320 -0.001 0.000 0.206 222 K C -0.591 175.946 176.600 -0.106 0.000 1.186 222 K CA -0.040 56.206 56.287 -0.069 0.000 0.990 222 K CB 0.488 32.902 32.500 -0.143 0.000 1.003 222 K HN 0.608 nan 8.250 nan 0.000 0.562 223 N N 0.633 119.245 118.700 -0.147 0.000 2.484 223 N HA 0.428 5.167 4.740 -0.001 0.000 0.269 223 N C -1.412 173.931 175.510 -0.279 0.000 1.237 223 N CA -0.778 52.016 53.050 -0.427 0.000 0.838 223 N CB 2.010 39.678 38.487 -1.364 0.000 1.593 223 N HN -0.055 nan 8.380 nan 0.000 0.485 224 M N -0.165 119.284 119.600 -0.251 0.000 2.520 224 M HA 0.623 5.103 4.480 -0.001 0.000 0.283 224 M C -2.102 174.257 176.300 0.097 0.000 1.237 224 M CA -0.927 54.361 55.300 -0.021 0.000 0.885 224 M CB 2.477 35.058 32.600 -0.031 0.000 1.727 224 M HN 0.510 nan 8.290 nan 0.000 0.468 225 L N 3.929 125.225 121.223 0.122 0.000 2.408 225 L HA 0.874 5.213 4.340 -0.001 0.000 0.268 225 L C -1.498 175.242 176.870 -0.217 0.000 0.986 225 L CA -0.762 54.106 54.840 0.048 0.000 0.820 225 L CB 2.010 44.156 42.059 0.145 0.000 1.303 225 L HN 0.957 nan 8.230 nan 0.000 0.411 226 I N 0.950 121.297 120.570 -0.371 0.000 3.042 226 I HA 0.605 4.775 4.170 -0.001 0.000 0.310 226 I C -0.724 175.080 176.117 -0.521 0.000 1.117 226 I CA -0.567 60.323 61.300 -0.682 0.000 1.003 226 I CB 2.261 39.536 38.000 -1.209 0.000 1.228 226 I HN 0.744 nan 8.210 nan 0.000 0.443 227 Q N 2.329 121.900 119.800 -0.382 0.000 2.563 227 Q HA 0.333 4.672 4.340 -0.001 0.000 0.236 227 Q C 0.093 175.977 176.000 -0.193 0.000 0.792 227 Q CA 0.414 56.062 55.803 -0.258 0.000 0.960 227 Q CB 0.520 29.099 28.738 -0.265 0.000 1.304 227 Q HN 0.655 nan 8.270 nan 0.000 0.566 228 R N 2.072 122.459 120.500 -0.188 0.000 2.609 228 R HA 0.290 4.630 4.340 -0.001 0.000 0.271 228 R C -0.668 175.323 176.300 -0.515 0.000 1.403 228 R CA 0.710 56.450 56.100 -0.600 0.000 1.138 228 R CB -0.102 29.526 30.300 -1.120 0.000 1.142 228 R HN 0.402 nan 8.270 nan 0.000 0.559 229 T N -2.260 112.221 114.554 -0.122 0.000 2.906 229 T HA 0.110 4.459 4.350 -0.001 0.000 0.295 229 T C -0.101 174.845 174.700 0.409 0.000 1.061 229 T CA -0.922 61.252 62.100 0.123 0.000 1.000 229 T CB 1.702 70.499 68.868 -0.118 0.000 1.103 229 T HN 0.438 nan 8.240 nan 0.000 0.486 230 H N 2.370 121.663 119.070 0.371 0.000 3.167 230 H HA -0.070 4.486 4.556 -0.000 0.000 0.306 230 H C 1.110 176.498 175.328 0.101 0.000 0.965 230 H CA 0.648 56.811 56.048 0.192 0.000 1.408 230 H CB 0.284 30.177 29.762 0.217 0.000 1.406 230 H HN 0.931 nan 8.280 nan 0.000 0.576 231 Y N 2.549 122.969 120.300 0.201 0.000 2.241 231 Y HA -0.206 4.343 4.550 -0.001 0.000 0.286 231 Y C 2.204 178.273 175.900 0.280 0.000 1.166 231 Y CA 1.080 59.319 58.100 0.233 0.000 1.203 231 Y CB -0.733 37.803 38.460 0.127 0.000 0.977 231 Y HN 0.309 nan 8.280 nan 0.000 0.529 232 S N 0.294 116.053 115.700 0.098 0.000 2.383 232 S HA -0.121 4.349 4.470 -0.001 0.000 0.227 232 S C 2.079 176.600 174.600 -0.132 0.000 1.026 232 S CA 1.219 59.354 58.200 -0.107 0.000 0.981 232 S CB -0.551 62.342 63.200 -0.512 0.000 0.818 232 S HN 0.380 nan 8.310 nan 0.000 0.472 233 V N 1.785 121.682 119.914 -0.028 0.000 2.358 233 V HA -0.141 3.979 4.120 -0.001 0.000 0.246 233 V C 2.226 178.355 176.094 0.059 0.000 1.047 233 V CA 1.522 63.834 62.300 0.020 0.000 1.035 233 V CB -0.476 31.463 31.823 0.193 0.000 0.658 233 V HN 0.397 nan 8.190 nan 0.000 0.452 234 K N 0.149 120.625 120.400 0.127 0.000 2.063 234 K HA -0.244 4.076 4.320 -0.001 0.000 0.208 234 K C 2.275 178.998 176.600 0.205 0.000 1.048 234 K CA 1.801 58.176 56.287 0.148 0.000 0.928 234 K CB -0.219 32.423 32.500 0.236 0.000 0.713 234 K HN 0.349 nan 8.250 nan 0.000 0.442 235 K N 1.178 121.699 120.400 0.203 0.000 2.026 235 K HA -0.231 4.089 4.320 -0.001 0.000 0.208 235 K C 2.122 178.814 176.600 0.153 0.000 1.048 235 K CA 1.738 58.154 56.287 0.214 0.000 0.929 235 K CB 0.030 32.589 32.500 0.098 0.000 0.713 235 K HN -0.030 nan 8.250 nan 0.000 0.439 236 E N 0.866 121.077 120.200 0.018 0.000 2.058 236 E HA -0.164 4.185 4.350 -0.001 0.000 0.194 236 E C 1.915 178.507 176.600 -0.014 0.000 0.997 236 E CA 1.535 57.904 56.400 -0.051 0.000 0.801 236 E CB -0.181 29.441 29.700 -0.131 0.000 0.746 236 E HN 0.359 nan 8.360 nan 0.000 0.450 237 L N -0.325 120.903 121.223 0.008 0.000 2.156 237 L HA -0.027 4.313 4.340 -0.001 0.000 0.208 237 L C 2.486 179.378 176.870 0.037 0.000 1.095 237 L CA 0.814 55.655 54.840 0.001 0.000 0.770 237 L CB -0.533 41.513 42.059 -0.021 0.000 0.914 237 L HN 0.206 nan 8.230 nan 0.000 0.439 238 A N -0.129 122.764 122.820 0.121 0.000 1.902 238 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 238 A C 2.213 179.982 177.584 0.309 0.000 1.181 238 A CA 1.408 53.573 52.037 0.213 0.000 0.623 238 A CB -0.453 18.818 19.000 0.452 0.000 0.818 238 A HN 0.464 nan 8.150 nan 0.000 0.443 239 Q N -0.858 119.084 119.800 0.237 0.000 2.234 239 Q HA -0.157 4.183 4.340 -0.001 0.000 0.206 239 Q C 1.161 177.150 176.000 -0.018 0.000 0.980 239 Q CA 1.215 57.000 55.803 -0.030 0.000 0.869 239 Q CB -0.056 28.514 28.738 -0.280 0.000 0.912 239 Q HN 0.643 nan 8.270 nan 0.000 0.436 240 Q N -0.248 119.556 119.800 0.006 0.000 2.219 240 Q HA 0.163 4.502 4.340 -0.001 0.000 0.209 240 Q C -0.431 175.586 176.000 0.028 0.000 0.854 240 Q CA -0.099 55.704 55.803 -0.000 0.000 0.960 240 Q CB 0.735 29.462 28.738 -0.017 0.000 1.116 240 Q HN 0.266 nan 8.270 nan 0.000 0.500 241 R N 1.078 121.601 120.500 0.038 0.000 3.264 241 R HA -0.201 4.138 4.340 -0.001 0.000 0.251 241 R C -0.260 176.073 176.300 0.055 0.000 0.971 241 R CA 0.480 56.593 56.100 0.022 0.000 0.658 241 R CB -1.862 28.473 30.300 0.058 0.000 1.095 241 R HN 0.404 nan 8.270 nan 0.000 0.443 242 Q N 0.111 119.935 119.800 0.040 0.000 2.155 242 Q HA 0.205 4.545 4.340 -0.001 0.000 0.273 242 Q C 1.201 177.287 176.000 0.144 0.000 0.857 242 Q CA -0.259 55.606 55.803 0.103 0.000 1.116 242 Q CB 0.601 29.365 28.738 0.043 0.000 1.209 242 Q HN 0.429 nan 8.270 nan 0.000 0.460 243 L N 0.116 121.354 121.223 0.025 0.000 2.395 243 L HA 0.047 4.386 4.340 -0.001 0.000 0.218 243 L C 0.342 177.184 176.870 -0.047 0.000 1.130 243 L CA 1.033 55.847 54.840 -0.043 0.000 0.826 243 L CB 0.316 42.161 42.059 -0.356 0.000 0.941 243 L HN 0.207 nan 8.230 nan 0.000 0.451 244 E N 0.180 120.400 120.200 0.034 0.000 2.176 244 E HA 0.511 4.861 4.350 -0.001 0.000 0.267 244 E C -1.261 175.233 176.600 -0.177 0.000 0.893 244 E CA -0.512 55.704 56.400 -0.307 0.000 0.761 244 E CB 1.663 31.353 29.700 -0.016 0.000 1.133 244 E HN -0.017 nan 8.360 nan 0.000 0.409 245 F N -0.415 119.281 119.950 -0.423 0.000 2.711 245 F HA 0.483 5.009 4.527 -0.001 0.000 0.313 245 F C -1.488 174.198 175.800 -0.190 0.000 1.141 245 F CA -1.403 56.487 58.000 -0.182 0.000 0.941 245 F CB 0.825 39.755 39.000 -0.117 0.000 1.349 245 F HN 0.166 nan 8.300 nan 0.000 0.464 246 L N 2.481 123.871 121.223 0.278 0.000 2.270 246 L HA 0.172 4.512 4.340 -0.001 0.000 0.286 246 L C -1.097 176.005 176.870 0.386 0.000 1.059 246 L CA -0.268 54.727 54.840 0.258 0.000 0.839 246 L CB 0.493 42.702 42.059 0.251 0.000 1.221 246 L HN 0.573 nan 8.230 nan 0.000 0.431 247 W N 6.773 128.195 121.300 0.203 0.000 2.481 247 W HA 0.273 4.932 4.660 -0.001 0.000 0.320 247 W C 0.372 176.915 176.519 0.040 0.000 1.209 247 W CA -1.127 56.339 57.345 0.201 0.000 1.400 247 W CB 0.316 29.938 29.460 0.271 0.000 1.361 247 W HN 0.508 nan 8.180 nan 0.000 0.456 248 R N 3.701 124.368 120.500 0.279 0.000 2.856 248 R HA 0.541 4.881 4.340 -0.001 0.000 0.258 248 R C -0.126 176.081 176.300 -0.155 0.000 1.066 248 R CA -0.922 55.174 56.100 -0.006 0.000 1.045 248 R CB 1.084 31.370 30.300 -0.024 0.000 1.178 248 R HN 0.220 nan 8.270 nan 0.000 0.499 249 Q N 1.382 120.939 119.800 -0.405 0.000 2.394 249 Q HA 0.075 4.414 4.340 -0.001 0.000 0.248 249 Q C 1.447 177.067 176.000 -0.634 0.000 0.992 249 Q CA 0.049 55.416 55.803 -0.726 0.000 0.888 249 Q CB 0.921 28.777 28.738 -1.470 0.000 1.257 249 Q HN 0.851 nan 8.270 nan 0.000 0.462 250 I N -2.017 118.278 120.570 -0.457 0.000 2.530 250 I HA -0.167 4.002 4.170 -0.001 0.000 0.257 250 I C 1.259 177.318 176.117 -0.097 0.000 1.179 250 I CA 1.325 62.508 61.300 -0.195 0.000 1.440 250 I CB -0.339 37.638 38.000 -0.039 0.000 1.087 250 I HN 0.672 nan 8.210 nan 0.000 0.440 251 W N 1.062 122.425 121.300 0.105 0.000 3.177 251 W HA 0.361 5.021 4.660 -0.000 0.000 0.309 251 W C 0.365 176.965 176.519 0.135 0.000 1.224 251 W CA -0.566 56.904 57.345 0.207 0.000 1.718 251 W CB -0.694 28.978 29.460 0.354 0.000 1.078 251 W HN -0.087 nan 8.180 nan 0.000 0.618 252 D N 2.218 122.398 120.400 -0.367 0.000 2.348 252 D HA -0.070 4.570 4.640 -0.001 0.000 0.259 252 D C 1.066 177.351 176.300 -0.025 0.000 1.296 252 D CA 0.389 54.301 54.000 -0.147 0.000 0.931 252 D CB 0.096 40.715 40.800 -0.302 0.000 1.067 252 D HN 0.102 nan 8.370 nan 0.000 0.503 253 N N 3.778 122.518 118.700 0.067 0.000 2.333 253 N HA -0.103 4.637 4.740 -0.001 0.000 0.178 253 N C 1.348 176.880 175.510 0.037 0.000 1.018 253 N CA 0.511 53.590 53.050 0.049 0.000 0.882 253 N CB 0.234 38.767 38.487 0.078 0.000 0.984 253 N HN 0.398 nan 8.380 nan 0.000 0.434 254 K N -0.378 120.049 120.400 0.046 0.000 2.044 254 K HA -0.021 4.299 4.320 -0.001 0.000 0.204 254 K C 0.779 177.394 176.600 0.026 0.000 1.049 254 K CA 1.373 57.682 56.287 0.037 0.000 0.945 254 K CB 0.010 32.537 32.500 0.044 0.000 0.724 254 K HN 0.236 nan 8.250 nan 0.000 0.440 255 G N 0.716 109.525 108.800 0.015 0.000 2.168 255 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.197 255 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.197 255 G C 0.181 175.086 174.900 0.007 0.000 0.997 255 G CA 0.294 45.399 45.100 0.009 0.000 0.658 255 G HN 0.371 nan 8.290 nan 0.000 0.513 256 D N 0.801 121.207 120.400 0.009 0.000 2.309 256 D HA -0.075 4.565 4.640 -0.001 0.000 0.212 256 D C 2.528 178.817 176.300 -0.019 0.000 0.968 256 D CA 1.804 55.806 54.000 0.003 0.000 0.882 256 D CB -0.067 40.742 40.800 0.014 0.000 0.918 256 D HN 0.672 nan 8.370 nan 0.000 0.503 257 T N -1.901 112.632 114.554 -0.035 0.000 3.100 257 T HA 0.306 4.655 4.350 -0.001 0.000 0.253 257 T C 0.998 175.658 174.700 -0.066 0.000 1.118 257 T CA -0.089 61.968 62.100 -0.072 0.000 1.058 257 T CB 0.126 68.933 68.868 -0.100 0.000 0.953 257 T HN 0.063 nan 8.240 nan 0.000 0.515 258 A N 1.495 124.303 122.820 -0.021 0.000 2.565 258 A HA 0.507 4.827 4.320 -0.001 0.000 0.237 258 A C -0.244 177.362 177.584 0.036 0.000 1.053 258 A CA -0.197 51.859 52.037 0.032 0.000 0.755 258 A CB -0.240 18.803 19.000 0.071 0.000 0.980 258 A HN 0.559 nan 8.150 nan 0.000 0.506 259 L N 3.018 124.284 121.223 0.071 0.000 2.438 259 L HA 0.555 4.895 4.340 -0.001 0.000 0.270 259 L C -0.652 176.278 176.870 0.101 0.000 0.972 259 L CA -0.562 54.314 54.840 0.060 0.000 0.831 259 L CB 1.459 43.519 42.059 0.001 0.000 1.273 259 L HN 0.659 nan 8.230 nan 0.000 0.405 260 F N 3.873 123.786 119.950 -0.061 0.000 2.578 260 F HA 0.383 4.910 4.527 -0.001 0.000 0.381 260 F C 0.062 175.751 175.800 -0.185 0.000 1.069 260 F CA 0.739 58.670 58.000 -0.115 0.000 1.231 260 F CB 0.403 39.348 39.000 -0.092 0.000 1.086 260 F HN 0.569 nan 8.300 nan 0.000 0.564 261 T N 5.418 119.393 114.554 -0.965 0.000 2.861 261 T HA 0.224 4.573 4.350 -0.001 0.000 0.287 261 T C -1.609 172.447 174.700 -1.074 0.000 1.003 261 T CA -0.490 61.107 62.100 -0.839 0.000 0.977 261 T CB 1.036 69.453 68.868 -0.753 0.000 0.996 261 T HN 0.604 nan 8.240 nan 0.000 0.448 262 H N 2.580 121.327 119.070 -0.538 0.000 2.587 262 H HA 0.624 5.180 4.556 -0.001 0.000 0.325 262 H C -0.537 174.603 175.328 -0.314 0.000 1.012 262 H CA -0.745 55.111 56.048 -0.320 0.000 1.213 262 H CB 0.771 30.564 29.762 0.052 0.000 1.431 262 H HN 0.489 nan 8.280 nan 0.000 0.492 263 M N 6.710 125.942 119.600 -0.614 0.000 2.129 263 M HA 0.307 4.787 4.480 -0.001 0.000 0.348 263 M C -0.959 175.067 176.300 -0.457 0.000 1.116 263 M CA -0.701 54.322 55.300 -0.461 0.000 1.022 263 M CB 0.750 33.139 32.600 -0.350 0.000 1.599 263 M HN 0.710 nan 8.290 nan 0.000 0.449 264 M N 7.237 126.662 119.600 -0.293 0.000 2.248 264 M HA 0.151 4.631 4.480 -0.001 0.000 0.337 264 M C -1.471 174.680 176.300 -0.249 0.000 1.121 264 M CA -0.904 54.279 55.300 -0.195 0.000 1.155 264 M CB 0.465 32.976 32.600 -0.148 0.000 1.514 264 M HN 0.474 nan 8.290 nan 0.000 0.452 265 P HA 0.049 nan 4.420 nan 0.000 0.239 265 P C -0.356 176.662 177.300 -0.469 0.000 1.188 265 P CA 0.961 63.721 63.100 -0.566 0.000 0.794 265 P CB 0.248 31.369 31.700 -0.964 0.000 0.937 266 F N -2.319 117.635 119.950 0.007 0.000 2.525 266 F HA 0.287 4.814 4.527 -0.001 0.000 0.346 266 F C 2.193 178.083 175.800 0.150 0.000 1.072 266 F CA -1.322 56.726 58.000 0.080 0.000 1.033 266 F CB 0.069 39.058 39.000 -0.019 0.000 1.324 266 F HN -0.309 nan 8.300 nan 0.000 0.491 267 Y N 0.490 120.955 120.300 0.274 0.000 2.256 267 Y HA -0.063 4.487 4.550 -0.001 0.000 0.288 267 Y C 0.952 176.784 175.900 -0.114 0.000 1.155 267 Y CA 1.428 59.542 58.100 0.025 0.000 1.203 267 Y CB -0.057 38.314 38.460 -0.148 0.000 0.980 267 Y HN 0.364 nan 8.280 nan 0.000 0.530 268 S N -2.203 113.385 115.700 -0.187 0.000 2.671 268 S HA 0.277 4.747 4.470 -0.001 0.000 0.277 268 S C -0.443 174.110 174.600 -0.079 0.000 1.165 268 S CA -0.311 57.684 58.200 -0.342 0.000 0.822 268 S CB 0.307 63.246 63.200 -0.435 0.000 1.150 268 S HN 0.272 nan 8.310 nan 0.000 0.479 269 Y N 0.619 120.902 120.300 -0.029 0.000 2.457 269 Y HA 0.355 4.904 4.550 -0.001 0.000 0.263 269 Y C 0.332 176.332 175.900 0.167 0.000 1.164 269 Y CA -0.614 57.492 58.100 0.010 0.000 1.274 269 Y CB -1.011 37.361 38.460 -0.146 0.000 1.097 269 Y HN 0.524 nan 8.280 nan 0.000 0.523 270 D N 0.687 121.109 120.400 0.037 0.000 2.384 270 D HA -0.002 4.637 4.640 -0.001 0.000 0.244 270 D C 1.280 177.714 176.300 0.223 0.000 1.251 270 D CA -0.428 53.678 54.000 0.177 0.000 0.961 270 D CB 0.832 41.699 40.800 0.111 0.000 1.116 270 D HN 0.239 nan 8.370 nan 0.000 0.484 271 I N -0.436 120.241 120.570 0.178 0.000 2.286 271 I HA -0.150 4.020 4.170 -0.001 0.000 0.248 271 I C -0.777 175.373 176.117 0.056 0.000 1.115 271 I CA 0.848 62.234 61.300 0.144 0.000 1.392 271 I CB -1.189 36.884 38.000 0.121 0.000 1.065 271 I HN 0.321 nan 8.210 nan 0.000 0.418 272 P HA -0.136 nan 4.420 nan 0.000 0.222 272 P C 0.857 177.810 177.300 -0.578 0.000 1.147 272 P CA 1.427 64.334 63.100 -0.322 0.000 0.790 272 P CB -0.026 31.495 31.700 -0.299 0.000 0.780 273 H N -2.401 116.658 119.070 -0.017 0.000 2.512 273 H HA 0.278 4.833 4.556 -0.001 0.000 0.276 273 H C 0.760 176.172 175.328 0.141 0.000 1.126 273 H CA 0.700 56.742 56.048 -0.011 0.000 1.060 273 H CB 0.128 29.963 29.762 0.122 0.000 1.646 273 H HN 0.203 nan 8.280 nan 0.000 0.571 274 T N -3.511 111.154 114.554 0.184 0.000 2.986 274 T HA -0.025 4.324 4.350 -0.001 0.000 0.264 274 T C 1.884 176.709 174.700 0.208 0.000 0.964 274 T CA 0.296 62.543 62.100 0.246 0.000 0.895 274 T CB -0.778 68.229 68.868 0.230 0.000 1.163 274 T HN 0.411 nan 8.240 nan 0.000 0.517 275 c N 1.576 120.261 118.600 0.141 0.000 2.512 275 c HA 0.721 5.290 4.570 -0.001 0.000 0.276 275 c C 1.306 175.493 174.090 0.161 0.000 1.368 275 c CA 0.557 57.003 56.329 0.196 0.000 1.755 275 c CB -0.948 41.641 42.510 0.132 0.000 2.008 275 c HN 0.835 nan 8.230 nan 0.000 0.511 276 G N -0.353 108.435 108.800 -0.020 0.000 2.340 276 G HA2 0.428 4.387 3.960 -0.001 0.000 0.299 276 G HA3 0.428 4.387 3.960 -0.001 0.000 0.299 276 G C -2.632 171.828 174.900 -0.733 0.000 1.291 276 G CA 0.273 45.294 45.100 -0.132 0.000 0.841 276 G HN -0.100 nan 8.290 nan 0.000 0.500 277 P HA 0.059 nan 4.420 nan 0.000 0.226 277 P C -0.161 176.736 177.300 -0.672 0.000 1.153 277 P CA 1.036 63.480 63.100 -1.093 0.000 0.777 277 P CB 0.404 31.775 31.700 -0.549 0.000 0.794 278 D N 0.845 120.951 120.400 -0.489 0.000 2.454 278 D HA 0.138 4.778 4.640 -0.001 0.000 0.225 278 D C -1.382 174.571 176.300 -0.578 0.000 1.081 278 D CA -2.583 51.167 54.000 -0.416 0.000 0.864 278 D CB 1.324 41.965 40.800 -0.267 0.000 1.040 278 D HN 0.018 nan 8.370 nan 0.000 0.517 279 P HA -0.171 nan 4.420 nan 0.000 0.220 279 P C 1.253 177.706 177.300 -1.411 0.000 1.148 279 P CA 0.753 63.069 63.100 -1.306 0.000 0.803 279 P CB 0.532 31.180 31.700 -1.753 0.000 0.782 280 K N 0.247 119.971 120.400 -1.126 0.000 2.147 280 K HA -0.064 4.256 4.320 -0.001 0.000 0.205 280 K C 1.803 178.216 176.600 -0.312 0.000 1.049 280 K CA 1.069 57.012 56.287 -0.574 0.000 0.936 280 K CB -0.166 32.184 32.500 -0.250 0.000 0.722 280 K HN -0.039 nan 8.250 nan 0.000 0.446 281 V N 0.284 120.016 119.914 -0.303 0.000 2.426 281 V HA -0.209 3.911 4.120 -0.001 0.000 0.242 281 V C 2.378 178.430 176.094 -0.071 0.000 1.036 281 V CA 1.205 63.419 62.300 -0.144 0.000 1.044 281 V CB -0.207 31.558 31.823 -0.098 0.000 0.688 281 V HN 0.459 nan 8.190 nan 0.000 0.462 282 c N -0.699 117.796 118.600 -0.175 0.000 2.422 282 c HA -0.199 4.371 4.570 -0.001 0.000 0.279 282 c C 2.979 177.025 174.090 -0.073 0.000 1.305 282 c CA 0.860 57.148 56.329 -0.068 0.000 1.757 282 c CB -1.434 40.948 42.510 -0.212 0.000 1.962 282 c HN 0.755 nan 8.230 nan 0.000 0.499 283 c N 0.805 119.275 118.600 -0.216 0.000 2.410 283 c HA -0.149 4.421 4.570 -0.001 0.000 0.281 283 c C 2.617 176.590 174.090 -0.196 0.000 1.318 283 c CA 1.237 57.496 56.329 -0.116 0.000 1.776 283 c CB -1.469 41.075 42.510 0.055 0.000 1.942 283 c HN 0.638 nan 8.230 nan 0.000 0.508 284 Q N -1.352 118.260 119.800 -0.313 0.000 2.488 284 Q HA -0.028 4.312 4.340 -0.001 0.000 0.211 284 Q C 0.622 175.959 176.000 -1.105 0.000 0.967 284 Q CA 1.006 56.435 55.803 -0.624 0.000 0.926 284 Q CB -0.024 28.300 28.738 -0.689 0.000 0.992 284 Q HN 0.737 nan 8.270 nan 0.000 0.506 285 F N -0.207 119.459 119.950 -0.475 0.000 2.708 285 F HA 0.168 4.694 4.527 -0.000 0.000 0.300 285 F C 0.191 175.692 175.800 -0.498 0.000 1.118 285 F CA -0.563 57.039 58.000 -0.663 0.000 1.307 285 F CB 0.752 39.599 39.000 -0.254 0.000 0.986 285 F HN -0.152 nan 8.300 nan 0.000 0.522 286 D N 0.057 120.228 120.400 -0.381 0.000 2.485 286 D HA 0.139 4.778 4.640 -0.001 0.000 0.229 286 D C 0.534 176.662 176.300 -0.286 0.000 1.101 286 D CA -0.425 53.482 54.000 -0.154 0.000 0.906 286 D CB 0.022 40.780 40.800 -0.071 0.000 1.019 286 D HN 0.099 nan 8.370 nan 0.000 0.516 287 F N 1.600 121.559 119.950 0.014 0.000 2.722 287 F HA 0.050 4.577 4.527 -0.001 0.000 0.298 287 F C 2.332 178.077 175.800 -0.092 0.000 1.175 287 F CA 0.383 58.362 58.000 -0.034 0.000 1.462 287 F CB 0.078 39.079 39.000 0.001 0.000 1.111 287 F HN 0.246 nan 8.300 nan 0.000 0.592 288 K N 0.778 121.113 120.400 -0.109 0.000 2.444 288 K HA 0.080 4.400 4.320 -0.001 0.000 0.193 288 K C 0.871 177.412 176.600 -0.098 0.000 1.024 288 K CA 0.115 56.186 56.287 -0.361 0.000 1.077 288 K CB 0.171 32.300 32.500 -0.619 0.000 0.833 288 K HN 0.179 nan 8.250 nan 0.000 0.517 289 R N 0.462 120.944 120.500 -0.030 0.000 3.351 289 R HA 0.208 4.548 4.340 -0.001 0.000 0.296 289 R C 0.605 176.935 176.300 0.050 0.000 1.427 289 R CA -0.141 55.971 56.100 0.019 0.000 1.257 289 R CB 0.186 30.476 30.300 -0.017 0.000 1.378 289 R HN 0.167 nan 8.270 nan 0.000 0.610 290 M N -0.976 118.698 119.600 0.123 0.000 2.371 290 M HA 0.189 4.669 4.480 -0.001 0.000 0.246 290 M C 1.018 177.364 176.300 0.077 0.000 1.103 290 M CA 0.340 55.695 55.300 0.092 0.000 1.010 290 M CB 1.218 33.886 32.600 0.114 0.000 1.457 290 M HN 0.572 nan 8.290 nan 0.000 0.486 291 G N 0.175 109.032 108.800 0.095 0.000 3.426 291 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.196 291 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.196 291 G C 0.936 175.841 174.900 0.008 0.000 1.763 291 G CA 0.240 45.364 45.100 0.041 0.000 1.210 291 G HN 0.392 nan 8.290 nan 0.000 0.472 292 S N 0.443 116.106 115.700 -0.061 0.000 2.469 292 S HA 0.158 4.628 4.470 -0.001 0.000 0.238 292 S C 1.808 176.222 174.600 -0.310 0.000 0.998 292 S CA 1.700 59.768 58.200 -0.220 0.000 0.957 292 S CB -0.428 62.559 63.200 -0.356 0.000 0.764 292 S HN 0.430 nan 8.310 nan 0.000 0.514 293 F N 1.729 121.674 119.950 -0.008 0.000 2.765 293 F HA 0.407 4.934 4.527 -0.000 0.000 0.302 293 F C 1.890 177.686 175.800 -0.007 0.000 1.111 293 F CA 0.080 58.074 58.000 -0.010 0.000 1.359 293 F CB -0.068 38.923 39.000 -0.015 0.000 1.097 293 F HN 0.370 nan 8.300 nan 0.000 0.577 294 G N 1.348 110.220 108.800 0.120 0.000 2.160 294 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.251 294 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.251 294 G C -0.193 174.756 174.900 0.081 0.000 1.008 294 G CA 0.015 45.160 45.100 0.074 0.000 0.724 294 G HN 0.303 nan 8.290 nan 0.000 0.514 295 L N 0.114 121.399 121.223 0.103 0.000 2.354 295 L HA 0.855 5.194 4.340 -0.001 0.000 0.264 295 L C 0.499 177.398 176.870 0.049 0.000 1.008 295 L CA -0.368 54.514 54.840 0.070 0.000 0.819 295 L CB 2.368 44.468 42.059 0.067 0.000 1.339 295 L HN 0.441 nan 8.230 nan 0.000 0.420 296 S N -0.579 115.135 115.700 0.025 0.000 2.776 296 S HA 0.573 5.043 4.470 -0.001 0.000 0.292 296 S C -1.249 173.356 174.600 0.007 0.000 1.187 296 S CA -0.779 57.427 58.200 0.010 0.000 0.834 296 S CB 1.728 64.925 63.200 -0.005 0.000 1.199 296 S HN 0.523 nan 8.310 nan 0.000 0.514 297 c N 2.981 121.587 118.600 0.009 0.000 2.264 297 c HA 0.576 5.146 4.570 -0.001 0.000 0.324 297 c C -0.948 173.111 174.090 -0.053 0.000 1.267 297 c CA -1.239 55.124 56.329 0.057 0.000 1.618 297 c CB 1.059 43.644 42.510 0.125 0.000 2.278 297 c HN 0.783 nan 8.230 nan 0.000 0.499 298 P HA -0.097 nan 4.420 nan 0.000 0.222 298 P C 1.092 178.101 177.300 -0.486 0.000 1.147 298 P CA 1.292 64.103 63.100 -0.481 0.000 0.790 298 P CB 0.097 31.341 31.700 -0.759 0.000 0.780 299 W N 0.854 122.127 121.300 -0.044 0.000 3.077 299 W HA 0.145 4.805 4.660 -0.000 0.000 0.245 299 W C 0.891 177.379 176.519 -0.051 0.000 1.316 299 W CA 0.245 57.559 57.345 -0.051 0.000 1.537 299 W CB -0.548 28.871 29.460 -0.068 0.000 1.131 299 W HN 0.176 nan 8.180 nan 0.000 0.695 300 K N -1.237 119.202 120.400 0.065 0.000 3.547 300 K HA -0.200 4.119 4.320 -0.001 0.000 0.309 300 K C 0.099 176.716 176.600 0.028 0.000 1.324 300 K CA 1.172 57.475 56.287 0.026 0.000 0.988 300 K CB -2.228 30.278 32.500 0.011 0.000 1.261 300 K HN 0.078 nan 8.250 nan 0.000 0.444 301 V N -0.461 119.481 119.914 0.048 0.000 2.347 301 V HA 0.541 4.661 4.120 -0.001 0.000 0.280 301 V C -1.962 174.112 176.094 -0.032 0.000 1.021 301 V CA -1.883 60.414 62.300 -0.005 0.000 0.847 301 V CB 1.273 33.083 31.823 -0.022 0.000 0.990 301 V HN -0.089 nan 8.190 nan 0.000 0.444 302 P HA 0.438 nan 4.420 nan 0.000 0.276 302 P C -2.738 174.471 177.300 -0.151 0.000 1.252 302 P CA -1.767 61.288 63.100 -0.074 0.000 0.802 302 P CB 0.751 32.423 31.700 -0.046 0.000 1.035 303 P HA 0.291 nan 4.420 nan 0.000 0.274 303 P C -0.541 176.658 177.300 -0.169 0.000 1.237 303 P CA -0.134 62.764 63.100 -0.337 0.000 0.793 303 P CB 0.994 32.420 31.700 -0.456 0.000 0.977 304 R N -0.036 120.378 120.500 -0.143 0.000 2.561 304 R HA 0.371 4.710 4.340 -0.001 0.000 0.297 304 R C -0.260 176.117 176.300 0.129 0.000 0.969 304 R CA -0.600 55.493 56.100 -0.012 0.000 0.879 304 R CB 1.408 31.669 30.300 -0.064 0.000 1.178 304 R HN 0.364 nan 8.270 nan 0.000 0.445 305 T N 4.364 118.980 114.554 0.103 0.000 2.866 305 T HA 0.022 4.372 4.350 -0.001 0.000 0.293 305 T C 0.820 175.516 174.700 -0.006 0.000 1.005 305 T CA 0.199 62.327 62.100 0.048 0.000 1.162 305 T CB 0.074 68.947 68.868 0.008 0.000 0.968 305 T HN 0.201 nan 8.240 nan 0.000 0.530 306 I N 4.051 124.571 120.570 -0.084 0.000 2.588 306 I HA 0.234 4.403 4.170 -0.001 0.000 0.283 306 I C 1.015 177.086 176.117 -0.077 0.000 1.119 306 I CA 0.174 61.425 61.300 -0.081 0.000 1.419 306 I CB 0.262 38.175 38.000 -0.146 0.000 1.394 306 I HN 0.775 nan 8.210 nan 0.000 0.562 307 S N 3.330 118.996 115.700 -0.057 0.000 2.685 307 S HA 0.429 4.899 4.470 -0.001 0.000 0.282 307 S C 0.187 174.757 174.600 -0.050 0.000 1.159 307 S CA -0.735 57.438 58.200 -0.046 0.000 0.833 307 S CB 1.904 65.085 63.200 -0.033 0.000 1.151 307 S HN 0.479 nan 8.310 nan 0.000 0.485 308 D N 0.574 120.954 120.400 -0.034 0.000 2.264 308 D HA -0.053 4.587 4.640 -0.001 0.000 0.208 308 D C 1.663 177.939 176.300 -0.040 0.000 0.966 308 D CA 1.248 55.229 54.000 -0.030 0.000 0.864 308 D CB -0.070 40.727 40.800 -0.006 0.000 0.933 308 D HN 0.697 nan 8.370 nan 0.000 0.499 309 Q N 0.350 120.129 119.800 -0.034 0.000 2.389 309 Q HA -0.071 4.268 4.340 -0.001 0.000 0.204 309 Q C 0.695 176.671 176.000 -0.040 0.000 0.944 309 Q CA 0.869 56.654 55.803 -0.030 0.000 0.908 309 Q CB 0.230 28.956 28.738 -0.021 0.000 1.002 309 Q HN 0.267 nan 8.270 nan 0.000 0.493 310 N N -1.448 117.220 118.700 -0.053 0.000 2.145 310 N HA -0.076 4.664 4.740 -0.001 0.000 0.219 310 N C 1.238 176.701 175.510 -0.078 0.000 1.266 310 N CA 0.395 53.415 53.050 -0.051 0.000 0.902 310 N CB -0.257 38.208 38.487 -0.036 0.000 1.078 310 N HN 0.029 nan 8.380 nan 0.000 0.513 311 V N 0.715 120.550 119.914 -0.132 0.000 2.469 311 V HA -0.143 3.976 4.120 -0.001 0.000 0.251 311 V C 2.235 178.120 176.094 -0.348 0.000 1.064 311 V CA 2.243 64.414 62.300 -0.215 0.000 1.066 311 V CB -0.893 30.773 31.823 -0.262 0.000 0.667 311 V HN 0.457 nan 8.190 nan 0.000 0.461 312 A N -0.258 122.338 122.820 -0.374 0.000 1.873 312 A HA 0.002 4.321 4.320 -0.001 0.000 0.215 312 A C 2.420 180.043 177.584 0.065 0.000 1.186 312 A CA 2.033 53.970 52.037 -0.168 0.000 0.616 312 A CB -1.000 17.991 19.000 -0.014 0.000 0.823 312 A HN 0.824 nan 8.150 nan 0.000 0.442 313 A N -0.620 122.212 122.820 0.020 0.000 1.969 313 A HA -0.090 4.230 4.320 -0.001 0.000 0.218 313 A C 2.226 179.850 177.584 0.067 0.000 1.169 313 A CA 1.206 53.273 52.037 0.051 0.000 0.635 313 A CB -0.375 18.637 19.000 0.020 0.000 0.810 313 A HN 0.409 nan 8.150 nan 0.000 0.445 314 R N 0.060 120.592 120.500 0.054 0.000 2.066 314 R HA -0.041 4.299 4.340 -0.001 0.000 0.232 314 R C 2.392 178.747 176.300 0.092 0.000 1.131 314 R CA 1.565 57.750 56.100 0.142 0.000 0.955 314 R CB -1.096 29.291 30.300 0.144 0.000 0.851 314 R HN 0.508 nan 8.270 nan 0.000 0.432 315 S N 1.336 117.043 115.700 0.011 0.000 2.383 315 S HA -0.171 4.298 4.470 -0.001 0.000 0.229 315 S C 1.541 176.045 174.600 -0.160 0.000 1.030 315 S CA 1.638 59.761 58.200 -0.128 0.000 1.002 315 S CB -0.320 62.957 63.200 0.128 0.000 0.829 315 S HN 0.330 nan 8.310 nan 0.000 0.467 316 D N 1.073 121.557 120.400 0.140 0.000 2.144 316 D HA -0.036 4.603 4.640 -0.001 0.000 0.199 316 D C 1.816 178.136 176.300 0.032 0.000 0.984 316 D CA 0.826 54.958 54.000 0.219 0.000 0.834 316 D CB -0.154 40.796 40.800 0.250 0.000 0.955 316 D HN 0.271 nan 8.370 nan 0.000 0.465 317 L N -0.373 120.845 121.223 -0.008 0.000 2.044 317 L HA -0.100 4.240 4.340 -0.001 0.000 0.205 317 L C 2.286 179.010 176.870 -0.243 0.000 1.075 317 L CA 0.478 55.297 54.840 -0.035 0.000 0.747 317 L CB -0.285 41.830 42.059 0.092 0.000 0.903 317 L HN 0.196 nan 8.230 nan 0.000 0.435 318 L N -0.707 120.197 121.223 -0.532 0.000 2.027 318 L HA -0.155 4.185 4.340 -0.001 0.000 0.206 318 L C 2.355 178.548 176.870 -1.127 0.000 1.074 318 L CA 1.591 55.770 54.840 -1.101 0.000 0.745 318 L CB -0.389 40.690 42.059 -1.633 0.000 0.898 318 L HN -0.082 nan 8.230 nan 0.000 0.433 319 V N -0.065 119.301 119.914 -0.913 0.000 2.392 319 V HA -0.325 3.795 4.120 -0.001 0.000 0.249 319 V C 2.296 178.222 176.094 -0.280 0.000 1.059 319 V CA 2.002 63.917 62.300 -0.641 0.000 1.051 319 V CB -0.777 30.662 31.823 -0.639 0.000 0.658 319 V HN 0.592 nan 8.190 nan 0.000 0.455 320 D N -1.023 119.275 120.400 -0.170 0.000 2.144 320 D HA -0.182 4.458 4.640 -0.001 0.000 0.199 320 D C 2.246 178.523 176.300 -0.038 0.000 0.984 320 D CA 1.019 55.030 54.000 0.019 0.000 0.834 320 D CB 0.014 40.879 40.800 0.108 0.000 0.955 320 D HN 0.292 nan 8.370 nan 0.000 0.465 321 Q N -0.491 119.216 119.800 -0.155 0.000 2.046 321 Q HA -0.123 4.216 4.340 -0.001 0.000 0.200 321 Q C 2.143 178.152 176.000 0.016 0.000 0.975 321 Q CA 0.951 56.685 55.803 -0.114 0.000 0.836 321 Q CB -0.613 27.997 28.738 -0.214 0.000 0.896 321 Q HN 0.531 nan 8.270 nan 0.000 0.428 322 W N 1.566 122.763 121.300 -0.172 0.000 2.335 322 W HA -0.132 4.527 4.660 -0.001 0.000 0.311 322 W C 2.100 178.506 176.519 -0.187 0.000 1.213 322 W CA 0.848 58.092 57.345 -0.169 0.000 1.274 322 W CB -0.805 28.526 29.460 -0.215 0.000 1.148 322 W HN 0.227 nan 8.180 nan 0.000 0.498 323 K N 0.133 120.497 120.400 -0.060 0.000 2.209 323 K HA -0.159 4.160 4.320 -0.001 0.000 0.204 323 K C 1.952 178.381 176.600 -0.285 0.000 1.048 323 K CA 1.315 57.404 56.287 -0.330 0.000 0.940 323 K CB -0.210 31.799 32.500 -0.819 0.000 0.729 323 K HN 0.109 nan 8.250 nan 0.000 0.451 324 K N 0.728 121.055 120.400 -0.123 0.000 2.062 324 K HA -0.112 4.207 4.320 -0.001 0.000 0.205 324 K C 2.078 178.737 176.600 0.097 0.000 1.051 324 K CA 0.970 57.300 56.287 0.072 0.000 0.941 324 K CB 0.033 32.602 32.500 0.114 0.000 0.719 324 K HN 0.008 nan 8.250 nan 0.000 0.440 325 K N 0.933 121.398 120.400 0.109 0.000 2.097 325 K HA -0.110 4.209 4.320 -0.001 0.000 0.206 325 K C 2.030 178.755 176.600 0.209 0.000 1.049 325 K CA 1.191 57.577 56.287 0.164 0.000 0.933 325 K CB -0.074 32.547 32.500 0.202 0.000 0.717 325 K HN 0.116 nan 8.250 nan 0.000 0.442 326 A N 1.256 124.181 122.820 0.175 0.000 2.019 326 A HA -0.145 4.175 4.320 -0.001 0.000 0.219 326 A C 1.704 179.450 177.584 0.269 0.000 1.164 326 A CA 1.364 53.541 52.037 0.234 0.000 0.644 326 A CB -0.322 18.785 19.000 0.178 0.000 0.805 326 A HN 0.305 nan 8.150 nan 0.000 0.449 327 E N -0.064 120.265 120.200 0.216 0.000 2.338 327 E HA -0.070 4.280 4.350 -0.001 0.000 0.197 327 E C 1.609 178.324 176.600 0.193 0.000 1.007 327 E CA 0.595 57.128 56.400 0.222 0.000 0.849 327 E CB -0.208 29.647 29.700 0.260 0.000 0.774 327 E HN 0.729 nan 8.360 nan 0.000 0.506 328 L N -0.680 120.618 121.223 0.125 0.000 2.558 328 L HA 0.046 4.385 4.340 -0.001 0.000 0.225 328 L C 0.283 176.948 176.870 -0.343 0.000 1.128 328 L CA 0.242 55.031 54.840 -0.086 0.000 0.868 328 L CB -0.054 41.842 42.059 -0.271 0.000 1.006 328 L HN -0.006 nan 8.230 nan 0.000 0.454 329 Y N -1.344 119.039 120.300 0.139 0.000 2.587 329 Y HA 0.365 4.915 4.550 -0.001 0.000 0.337 329 Y C 1.202 177.214 175.900 0.186 0.000 1.065 329 Y CA -0.950 57.255 58.100 0.175 0.000 1.126 329 Y CB 1.100 39.679 38.460 0.200 0.000 1.279 329 Y HN -0.256 nan 8.280 nan 0.000 0.489 330 R N -0.328 120.400 120.500 0.380 0.000 2.297 330 R HA 0.071 4.410 4.340 -0.001 0.000 0.197 330 R C 0.200 176.613 176.300 0.188 0.000 0.943 330 R CA 0.710 56.943 56.100 0.220 0.000 1.038 330 R CB 0.041 30.402 30.300 0.102 0.000 0.957 330 R HN 0.758 nan 8.270 nan 0.000 0.484 331 T N -1.593 113.123 114.554 0.269 0.000 2.905 331 T HA 0.128 4.478 4.350 -0.001 0.000 0.283 331 T C 0.503 175.345 174.700 0.237 0.000 1.031 331 T CA -0.994 61.230 62.100 0.206 0.000 1.002 331 T CB 1.355 70.330 68.868 0.177 0.000 1.200 331 T HN 0.062 nan 8.240 nan 0.000 0.560 332 N N 0.080 118.895 118.700 0.193 0.000 2.295 332 N HA 0.144 4.884 4.740 -0.001 0.000 0.221 332 N C -0.689 174.886 175.510 0.110 0.000 1.129 332 N CA -0.330 52.854 53.050 0.223 0.000 0.836 332 N CB 0.063 38.637 38.487 0.145 0.000 1.040 332 N HN 0.374 nan 8.380 nan 0.000 0.494 333 V N 1.508 121.493 119.914 0.119 0.000 2.409 333 V HA 0.403 4.523 4.120 -0.001 0.000 0.291 333 V C -0.535 175.683 176.094 0.206 0.000 1.020 333 V CA -0.954 61.424 62.300 0.130 0.000 0.848 333 V CB 1.480 33.345 31.823 0.070 0.000 0.990 333 V HN 0.179 nan 8.190 nan 0.000 0.430 334 L N 5.839 127.117 121.223 0.092 0.000 2.329 334 L HA 0.708 5.047 4.340 -0.001 0.000 0.279 334 L C -0.870 175.837 176.870 -0.272 0.000 1.014 334 L CA -0.498 54.285 54.840 -0.095 0.000 0.814 334 L CB 1.696 43.626 42.059 -0.215 0.000 1.257 334 L HN 0.627 nan 8.230 nan 0.000 0.424 335 L N 6.344 127.169 121.223 -0.663 0.000 2.265 335 L HA 0.577 4.917 4.340 -0.001 0.000 0.289 335 L C -1.181 175.394 176.870 -0.492 0.000 1.033 335 L CA 0.028 54.333 54.840 -0.891 0.000 0.814 335 L CB 0.862 41.876 42.059 -1.742 0.000 1.203 335 L HN 0.428 nan 8.230 nan 0.000 0.423 336 I N 7.458 127.832 120.570 -0.328 0.000 2.464 336 I HA 0.364 4.533 4.170 -0.001 0.000 0.277 336 I C -2.279 173.829 176.117 -0.015 0.000 1.040 336 I CA -2.058 59.151 61.300 -0.152 0.000 1.153 336 I CB 1.067 38.961 38.000 -0.178 0.000 1.274 336 I HN 0.425 nan 8.210 nan 0.000 0.469 337 P HA 0.180 nan 4.420 nan 0.000 0.271 337 P C -0.484 177.004 177.300 0.313 0.000 1.218 337 P CA -0.274 62.973 63.100 0.246 0.000 0.780 337 P CB 0.864 32.751 31.700 0.313 0.000 0.901 338 L N 2.989 124.432 121.223 0.368 0.000 2.454 338 L HA 0.756 5.096 4.340 -0.001 0.000 0.258 338 L C -0.081 176.854 176.870 0.108 0.000 1.025 338 L CA 0.374 55.347 54.840 0.222 0.000 0.901 338 L CB 0.395 42.523 42.059 0.115 0.000 1.210 338 L HN 0.613 nan 8.230 nan 0.000 0.457 339 G N 1.719 110.467 108.800 -0.087 0.000 2.340 339 G HA2 0.472 4.431 3.960 -0.001 0.000 0.299 339 G HA3 0.472 4.431 3.960 -0.001 0.000 0.299 339 G C -2.144 172.666 174.900 -0.151 0.000 1.291 339 G CA -0.243 44.606 45.100 -0.418 0.000 0.841 339 G HN 0.376 nan 8.290 nan 0.000 0.500 340 D N -1.745 118.630 120.400 -0.041 0.000 2.992 340 D HA 0.304 4.944 4.640 -0.001 0.000 0.349 340 D C -1.487 174.971 176.300 0.264 0.000 1.393 340 D CA -0.439 53.706 54.000 0.242 0.000 0.887 340 D CB 1.392 42.283 40.800 0.152 0.000 1.447 340 D HN 0.221 nan 8.370 nan 0.000 0.524 341 D N 0.374 120.985 120.400 0.351 0.000 2.450 341 D HA 0.202 4.841 4.640 -0.001 0.000 0.247 341 D C 0.122 176.609 176.300 0.312 0.000 1.162 341 D CA 0.552 54.754 54.000 0.336 0.000 0.879 341 D CB -0.359 40.739 40.800 0.497 0.000 1.163 341 D HN 0.320 nan 8.370 nan 0.000 0.472 342 F N 0.389 120.404 119.950 0.108 0.000 3.019 342 F HA -0.311 4.215 4.527 -0.000 0.000 0.259 342 F C 1.151 176.997 175.800 0.077 0.000 0.976 342 F CA 0.568 58.610 58.000 0.069 0.000 0.876 342 F CB -0.858 38.166 39.000 0.039 0.000 0.784 342 F HN 0.228 nan 8.300 nan 0.000 0.786 343 R N -0.421 120.177 120.500 0.163 0.000 2.580 343 R HA 0.485 4.825 4.340 -0.001 0.000 0.267 343 R C 0.664 176.994 176.300 0.049 0.000 1.125 343 R CA -0.891 55.199 56.100 -0.017 0.000 1.188 343 R CB -0.065 30.139 30.300 -0.160 0.000 1.155 343 R HN 0.224 nan 8.270 nan 0.000 0.586 344 F N -0.516 119.251 119.950 -0.304 0.000 2.983 344 F HA -0.299 4.228 4.527 -0.001 0.000 0.288 344 F C 1.334 177.058 175.800 -0.127 0.000 0.980 344 F CA 1.039 58.647 58.000 -0.653 0.000 0.965 344 F CB -0.899 37.385 39.000 -1.194 0.000 0.967 344 F HN 0.583 nan 8.300 nan 0.000 0.800 345 K N 0.304 120.750 120.400 0.077 0.000 2.107 345 K HA 0.101 4.421 4.320 -0.001 0.000 0.211 345 K C 0.682 177.447 176.600 0.274 0.000 1.024 345 K CA 0.412 56.834 56.287 0.226 0.000 0.953 345 K CB 0.180 32.781 32.500 0.168 0.000 0.831 345 K HN 0.401 nan 8.250 nan 0.000 0.454 346 Q N 1.531 121.450 119.800 0.198 0.000 2.392 346 Q HA 0.040 4.379 4.340 -0.001 0.000 0.262 346 Q C 0.580 176.775 176.000 0.325 0.000 1.003 346 Q CA -0.363 55.584 55.803 0.240 0.000 0.888 346 Q CB 0.706 29.599 28.738 0.260 0.000 1.260 346 Q HN 0.307 nan 8.270 nan 0.000 0.435 347 N N 1.048 119.942 118.700 0.324 0.000 2.104 347 N HA -0.168 4.572 4.740 -0.001 0.000 0.190 347 N C 1.769 177.457 175.510 0.296 0.000 1.024 347 N CA 2.096 55.387 53.050 0.401 0.000 0.853 347 N CB -0.377 38.326 38.487 0.360 0.000 1.008 347 N HN 0.751 nan 8.380 nan 0.000 0.424 348 T N -1.068 113.648 114.554 0.269 0.000 2.833 348 T HA -0.135 4.215 4.350 -0.001 0.000 0.269 348 T C 1.717 176.598 174.700 0.302 0.000 1.054 348 T CA 1.231 63.498 62.100 0.277 0.000 1.135 348 T CB -0.143 68.881 68.868 0.260 0.000 0.869 348 T HN 0.342 nan 8.240 nan 0.000 0.466 349 E N -0.231 120.099 120.200 0.216 0.000 2.072 349 E HA -0.103 4.247 4.350 -0.001 0.000 0.190 349 E C 1.841 178.335 176.600 -0.177 0.000 0.982 349 E CA 0.811 57.112 56.400 -0.164 0.000 0.803 349 E CB -0.265 29.181 29.700 -0.424 0.000 0.755 349 E HN 0.714 nan 8.360 nan 0.000 0.453 350 W N 1.772 122.963 121.300 -0.182 0.000 2.338 350 W HA -0.186 4.474 4.660 -0.001 0.000 0.304 350 W C 2.127 178.560 176.519 -0.144 0.000 1.212 350 W CA 1.287 58.492 57.345 -0.234 0.000 1.264 350 W CB -0.202 28.716 29.460 -0.902 0.000 1.142 350 W HN 0.183 nan 8.180 nan 0.000 0.512 351 D N -0.547 119.934 120.400 0.134 0.000 2.097 351 D HA -0.177 4.463 4.640 -0.001 0.000 0.195 351 D C 2.280 178.643 176.300 0.105 0.000 0.989 351 D CA 1.491 55.581 54.000 0.150 0.000 0.827 351 D CB -1.035 39.867 40.800 0.170 0.000 0.966 351 D HN 0.031 nan 8.370 nan 0.000 0.456 352 V N 1.051 121.021 119.914 0.094 0.000 2.407 352 V HA -0.223 3.896 4.120 -0.001 0.000 0.248 352 V C 2.240 178.355 176.094 0.036 0.000 1.055 352 V CA 1.640 63.978 62.300 0.063 0.000 1.049 352 V CB -0.083 31.823 31.823 0.139 0.000 0.662 352 V HN 0.151 nan 8.190 nan 0.000 0.455 353 Q N -0.424 119.432 119.800 0.094 0.000 2.062 353 Q HA -0.161 4.179 4.340 -0.001 0.000 0.196 353 Q C 2.342 178.535 176.000 0.321 0.000 0.967 353 Q CA 1.788 57.745 55.803 0.257 0.000 0.832 353 Q CB -0.434 28.419 28.738 0.190 0.000 0.899 353 Q HN 0.628 nan 8.270 nan 0.000 0.442 354 R N 0.540 121.182 120.500 0.237 0.000 2.070 354 R HA -0.104 4.236 4.340 -0.001 0.000 0.233 354 R C 2.262 178.701 176.300 0.232 0.000 1.137 354 R CA 1.421 57.691 56.100 0.283 0.000 0.945 354 R CB -0.124 30.294 30.300 0.196 0.000 0.845 354 R HN 0.053 nan 8.270 nan 0.000 0.430 355 V N 2.127 122.102 119.914 0.103 0.000 2.295 355 V HA -0.269 3.851 4.120 -0.001 0.000 0.246 355 V C 2.083 178.114 176.094 -0.106 0.000 1.049 355 V CA 2.004 64.318 62.300 0.022 0.000 1.024 355 V CB -0.692 31.132 31.823 0.002 0.000 0.648 355 V HN 0.446 nan 8.190 nan 0.000 0.447 356 N N -0.697 117.835 118.700 -0.280 0.000 2.084 356 N HA -0.174 4.566 4.740 -0.001 0.000 0.190 356 N C 1.868 177.081 175.510 -0.496 0.000 1.030 356 N CA 1.727 54.415 53.050 -0.603 0.000 0.849 356 N CB -0.357 37.191 38.487 -1.566 0.000 1.012 356 N HN 0.538 nan 8.380 nan 0.000 0.423 357 Y N 1.887 121.996 120.300 -0.320 0.000 2.293 357 Y HA -0.073 4.477 4.550 -0.001 0.000 0.291 357 Y C 2.378 177.759 175.900 -0.866 0.000 1.137 357 Y CA 0.979 58.773 58.100 -0.510 0.000 1.202 357 Y CB -0.040 38.205 38.460 -0.358 0.000 0.990 357 Y HN 0.146 nan 8.280 nan 0.000 0.537 358 E N -0.226 119.818 120.200 -0.261 0.000 2.077 358 E HA -0.229 4.120 4.350 -0.001 0.000 0.193 358 E C 2.194 178.742 176.600 -0.088 0.000 0.989 358 E CA 1.074 57.405 56.400 -0.116 0.000 0.800 358 E CB -0.099 29.657 29.700 0.093 0.000 0.746 358 E HN 0.468 nan 8.360 nan 0.000 0.452 359 R N 0.255 120.685 120.500 -0.117 0.000 2.092 359 R HA -0.075 4.264 4.340 -0.001 0.000 0.231 359 R C 2.431 178.711 176.300 -0.033 0.000 1.119 359 R CA 0.792 56.857 56.100 -0.059 0.000 0.970 359 R CB -0.193 30.052 30.300 -0.091 0.000 0.864 359 R HN 0.152 nan 8.270 nan 0.000 0.440 360 L N -0.460 120.679 121.223 -0.140 0.000 2.056 360 L HA -0.131 4.208 4.340 -0.001 0.000 0.207 360 L C 2.162 179.110 176.870 0.131 0.000 1.078 360 L CA 1.418 56.220 54.840 -0.063 0.000 0.749 360 L CB -0.391 41.543 42.059 -0.208 0.000 0.901 360 L HN 0.174 nan 8.230 nan 0.000 0.433 361 F N 0.071 120.034 119.950 0.022 0.000 2.102 361 F HA -0.266 4.261 4.527 -0.000 0.000 0.298 361 F C 2.725 178.528 175.800 0.006 0.000 1.105 361 F CA 1.095 59.093 58.000 -0.005 0.000 1.239 361 F CB -0.223 38.732 39.000 -0.076 0.000 0.991 361 F HN 0.168 nan 8.300 nan 0.000 0.474 362 E N 0.034 120.370 120.200 0.227 0.000 2.058 362 E HA -0.327 4.023 4.350 -0.001 0.000 0.194 362 E C 1.983 178.668 176.600 0.141 0.000 0.997 362 E CA 1.707 58.195 56.400 0.147 0.000 0.801 362 E CB -0.217 29.555 29.700 0.120 0.000 0.746 362 E HN 0.455 nan 8.360 nan 0.000 0.450 363 H N 0.313 119.436 119.070 0.088 0.000 2.270 363 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 363 H C 2.065 177.481 175.328 0.147 0.000 1.077 363 H CA 2.283 58.395 56.048 0.106 0.000 1.294 363 H CB -0.277 29.546 29.762 0.102 0.000 1.371 363 H HN 0.170 nan 8.280 nan 0.000 0.491 364 I N 0.458 121.086 120.570 0.098 0.000 2.163 364 I HA -0.317 3.853 4.170 -0.001 0.000 0.243 364 I C 1.658 177.783 176.117 0.013 0.000 1.085 364 I CA 1.534 62.837 61.300 0.005 0.000 1.347 364 I CB -0.353 37.599 38.000 -0.081 0.000 1.044 364 I HN 0.375 nan 8.210 nan 0.000 0.408 365 N N 0.391 119.097 118.700 0.010 0.000 2.453 365 N HA -0.105 4.635 4.740 -0.001 0.000 0.183 365 N C 1.763 177.252 175.510 -0.036 0.000 1.041 365 N CA 1.433 54.466 53.050 -0.028 0.000 0.900 365 N CB -0.228 38.234 38.487 -0.042 0.000 0.961 365 N HN 0.428 nan 8.380 nan 0.000 0.443 366 S N -1.156 114.519 115.700 -0.042 0.000 2.524 366 S HA 0.151 4.621 4.470 -0.001 0.000 0.215 366 S C 0.599 175.145 174.600 -0.090 0.000 0.986 366 S CA -0.238 57.932 58.200 -0.051 0.000 0.911 366 S CB 0.331 63.517 63.200 -0.024 0.000 0.805 366 S HN -0.037 nan 8.310 nan 0.000 0.501 367 Q N 1.517 121.227 119.800 -0.150 0.000 2.503 367 Q HA 0.525 4.864 4.340 -0.001 0.000 0.227 367 Q C 1.096 176.917 176.000 -0.298 0.000 1.109 367 Q CA 0.126 55.776 55.803 -0.256 0.000 0.922 367 Q CB 1.106 29.561 28.738 -0.472 0.000 1.249 367 Q HN 0.476 nan 8.270 nan 0.000 0.530 368 A N 2.779 125.508 122.820 -0.150 0.000 1.927 368 A HA -0.290 4.029 4.320 -0.001 0.000 0.220 368 A C 1.618 179.129 177.584 -0.122 0.000 1.185 368 A CA 2.330 54.308 52.037 -0.098 0.000 0.639 368 A CB -0.820 18.157 19.000 -0.038 0.000 0.820 368 A HN 0.907 nan 8.150 nan 0.000 0.451 369 H N -3.326 115.676 119.070 -0.114 0.000 2.518 369 H HA -0.052 4.504 4.556 -0.001 0.000 0.294 369 H C 1.516 176.791 175.328 -0.088 0.000 1.083 369 H CA 1.594 57.559 56.048 -0.137 0.000 1.264 369 H CB -0.714 28.902 29.762 -0.242 0.000 1.370 369 H HN 0.540 nan 8.280 nan 0.000 0.560 370 F N 0.663 120.335 119.950 -0.463 0.000 2.335 370 F HA 0.004 4.531 4.527 -0.001 0.000 0.296 370 F C 0.639 176.372 175.800 -0.112 0.000 1.091 370 F CA 0.114 57.967 58.000 -0.244 0.000 1.399 370 F CB 0.152 38.963 39.000 -0.316 0.000 1.067 370 F HN 0.120 nan 8.300 nan 0.000 0.520 371 N N 0.896 119.643 118.700 0.079 0.000 2.738 371 N HA -0.161 4.579 4.740 -0.001 0.000 0.249 371 N C -1.228 174.271 175.510 -0.017 0.000 1.047 371 N CA 0.396 53.478 53.050 0.054 0.000 0.707 371 N CB -1.528 37.047 38.487 0.147 0.000 0.937 371 N HN 0.019 nan 8.380 nan 0.000 0.545 372 V N 0.493 120.384 119.914 -0.039 0.000 2.789 372 V HA 0.450 4.569 4.120 -0.001 0.000 0.311 372 V C -0.003 176.012 176.094 -0.132 0.000 1.073 372 V CA -0.688 61.542 62.300 -0.116 0.000 0.921 372 V CB 2.556 34.317 31.823 -0.102 0.000 1.009 372 V HN 0.180 nan 8.190 nan 0.000 0.426 373 Q N 2.911 122.583 119.800 -0.214 0.000 2.347 373 Q HA 0.758 5.098 4.340 -0.001 0.000 0.265 373 Q C -0.856 174.885 176.000 -0.431 0.000 1.024 373 Q CA -0.134 55.510 55.803 -0.265 0.000 0.731 373 Q CB 1.568 30.158 28.738 -0.246 0.000 1.245 373 Q HN 1.024 nan 8.270 nan 0.000 0.472 374 A N 4.151 126.688 122.820 -0.473 0.000 2.337 374 A HA 0.932 5.251 4.320 -0.001 0.000 0.329 374 A C -1.080 175.792 177.584 -1.188 0.000 1.146 374 A CA -0.434 51.136 52.037 -0.778 0.000 0.800 374 A CB 1.182 19.859 19.000 -0.538 0.000 1.220 374 A HN 0.777 nan 8.150 nan 0.000 0.472 375 Q N 1.071 120.079 119.800 -1.321 0.000 2.687 375 Q HA 0.396 4.736 4.340 -0.001 0.000 0.295 375 Q C -1.705 173.881 176.000 -0.690 0.000 0.920 375 Q CA -0.622 54.453 55.803 -1.212 0.000 0.766 375 Q CB 0.643 29.026 28.738 -0.591 0.000 1.467 375 Q HN 0.483 nan 8.270 nan 0.000 0.415 376 F N 0.211 120.089 119.950 -0.119 0.000 2.429 376 F HA 0.657 5.184 4.527 -0.000 0.000 0.348 376 F C 1.196 177.033 175.800 0.061 0.000 1.109 376 F CA 1.035 59.078 58.000 0.071 0.000 1.232 376 F CB 1.460 40.559 39.000 0.165 0.000 1.157 376 F HN 0.764 nan 8.300 nan 0.000 0.564 377 G N 0.618 109.597 108.800 0.298 0.000 2.721 377 G HA2 0.580 4.539 3.960 -0.001 0.000 0.296 377 G HA3 0.580 4.539 3.960 -0.001 0.000 0.296 377 G C -1.229 173.705 174.900 0.057 0.000 1.383 377 G CA -0.723 44.521 45.100 0.241 0.000 0.788 377 G HN 0.643 nan 8.290 nan 0.000 0.500 378 T N -1.959 112.559 114.554 -0.060 0.000 2.938 378 T HA 0.490 4.840 4.350 -0.001 0.000 0.285 378 T C 1.215 175.788 174.700 -0.213 0.000 1.028 378 T CA -0.486 61.527 62.100 -0.145 0.000 1.005 378 T CB 1.585 70.376 68.868 -0.128 0.000 1.157 378 T HN 0.557 nan 8.240 nan 0.000 0.550 379 L N 0.580 121.672 121.223 -0.218 0.000 2.046 379 L HA 0.025 4.364 4.340 -0.001 0.000 0.208 379 L C 2.765 179.609 176.870 -0.043 0.000 1.077 379 L CA 1.985 56.727 54.840 -0.164 0.000 0.747 379 L CB -1.163 40.844 42.059 -0.086 0.000 0.896 379 L HN 0.891 nan 8.230 nan 0.000 0.432 380 Q N -0.001 119.795 119.800 -0.006 0.000 2.124 380 Q HA -0.228 4.112 4.340 -0.001 0.000 0.202 380 Q C 2.078 178.019 176.000 -0.099 0.000 0.977 380 Q CA 2.021 57.847 55.803 0.037 0.000 0.850 380 Q CB -0.190 28.541 28.738 -0.011 0.000 0.901 380 Q HN 0.635 nan 8.270 nan 0.000 0.429 381 E N -1.246 118.813 120.200 -0.236 0.000 2.110 381 E HA -0.219 4.131 4.350 -0.001 0.000 0.193 381 E C 1.706 177.843 176.600 -0.771 0.000 0.988 381 E CA 1.169 57.310 56.400 -0.432 0.000 0.804 381 E CB -0.311 29.117 29.700 -0.453 0.000 0.745 381 E HN 0.473 nan 8.360 nan 0.000 0.458 382 Y N 0.620 120.363 120.300 -0.929 0.000 2.114 382 Y HA -0.239 4.311 4.550 -0.001 0.000 0.284 382 Y C 1.848 177.392 175.900 -0.592 0.000 1.143 382 Y CA 1.573 59.096 58.100 -0.962 0.000 1.135 382 Y CB -0.661 37.298 38.460 -0.835 0.000 0.980 382 Y HN -0.051 nan 8.280 nan 0.000 0.499 383 F N 0.731 120.359 119.950 -0.536 0.000 2.126 383 F HA -0.254 4.273 4.527 -0.001 0.000 0.299 383 F C 2.249 177.782 175.800 -0.446 0.000 1.096 383 F CA 1.401 59.075 58.000 -0.544 0.000 1.255 383 F CB -0.346 38.545 39.000 -0.180 0.000 0.997 383 F HN 0.092 nan 8.300 nan 0.000 0.479 384 D N 0.310 120.636 120.400 -0.124 0.000 2.123 384 D HA -0.181 4.458 4.640 -0.001 0.000 0.196 384 D C 2.287 178.494 176.300 -0.155 0.000 0.992 384 D CA 1.448 55.391 54.000 -0.094 0.000 0.833 384 D CB -0.593 40.148 40.800 -0.099 0.000 0.954 384 D HN 0.265 nan 8.370 nan 0.000 0.455 385 A N 0.541 123.202 122.820 -0.264 0.000 1.898 385 A HA -0.115 4.205 4.320 -0.001 0.000 0.216 385 A C 2.549 180.002 177.584 -0.218 0.000 1.181 385 A CA 1.097 53.028 52.037 -0.177 0.000 0.620 385 A CB -0.722 18.234 19.000 -0.074 0.000 0.819 385 A HN 0.139 nan 8.150 nan 0.000 0.442 386 V N -0.067 119.582 119.914 -0.441 0.000 2.287 386 V HA -0.260 3.859 4.120 -0.001 0.000 0.248 386 V C 2.411 178.324 176.094 -0.301 0.000 1.053 386 V CA 2.136 64.181 62.300 -0.426 0.000 1.027 386 V CB -1.044 30.340 31.823 -0.731 0.000 0.646 386 V HN 0.653 nan 8.190 nan 0.000 0.447 387 H N -0.315 118.629 119.070 -0.209 0.000 2.495 387 H HA -0.065 4.490 4.556 -0.001 0.000 0.287 387 H C 2.391 177.670 175.328 -0.081 0.000 1.033 387 H CA 1.245 57.200 56.048 -0.155 0.000 1.307 387 H CB -0.021 29.610 29.762 -0.219 0.000 1.401 387 H HN 0.561 nan 8.280 nan 0.000 0.555 388 Q N 0.089 119.895 119.800 0.010 0.000 2.123 388 Q HA -0.004 4.336 4.340 -0.001 0.000 0.199 388 Q C 2.532 178.532 176.000 -0.000 0.000 0.966 388 Q CA 1.043 56.847 55.803 0.000 0.000 0.845 388 Q CB 0.098 28.825 28.738 -0.018 0.000 0.907 388 Q HN 0.389 nan 8.270 nan 0.000 0.439 389 A N 1.284 124.097 122.820 -0.011 0.000 1.898 389 A HA -0.259 4.061 4.320 -0.001 0.000 0.216 389 A C 1.946 179.537 177.584 0.012 0.000 1.181 389 A CA 1.627 53.661 52.037 -0.004 0.000 0.620 389 A CB -0.578 18.420 19.000 -0.003 0.000 0.819 389 A HN 0.469 nan 8.150 nan 0.000 0.442 390 E N -0.042 120.185 120.200 0.046 0.000 2.058 390 E HA -0.250 4.100 4.350 -0.001 0.000 0.194 390 E C 2.127 178.753 176.600 0.043 0.000 0.997 390 E CA 1.378 57.816 56.400 0.064 0.000 0.801 390 E CB -0.178 29.665 29.700 0.237 0.000 0.746 390 E HN 0.602 nan 8.360 nan 0.000 0.450 391 R N -0.198 120.329 120.500 0.045 0.000 2.189 391 R HA -0.007 4.333 4.340 -0.001 0.000 0.223 391 R C 2.148 178.454 176.300 0.011 0.000 1.092 391 R CA 0.794 56.908 56.100 0.024 0.000 0.989 391 R CB -0.112 30.197 30.300 0.016 0.000 0.876 391 R HN 0.171 nan 8.270 nan 0.000 0.457 392 A N 0.369 123.194 122.820 0.007 0.000 2.235 392 A HA 0.172 4.492 4.320 -0.001 0.000 0.208 392 A C 1.381 178.966 177.584 0.001 0.000 1.172 392 A CA 0.757 52.795 52.037 0.001 0.000 0.786 392 A CB -0.176 18.822 19.000 -0.003 0.000 0.804 392 A HN 0.428 nan 8.150 nan 0.000 0.479 393 G N -0.239 108.560 108.800 -0.001 0.000 2.147 393 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.244 393 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.244 393 G C 0.619 175.511 174.900 -0.014 0.000 1.005 393 G CA 0.646 45.741 45.100 -0.008 0.000 0.713 393 G HN 1.010 nan 8.290 nan 0.000 0.515 394 Q N -0.985 118.807 119.800 -0.014 0.000 2.360 394 Q HA 0.676 5.015 4.340 -0.001 0.000 0.202 394 Q C 0.777 176.751 176.000 -0.045 0.000 0.915 394 Q CA 0.945 56.747 55.803 -0.003 0.000 0.943 394 Q CB 0.548 29.302 28.738 0.027 0.000 1.064 394 Q HN 1.613 nan 8.270 nan 0.000 0.511 395 A N 0.828 123.577 122.820 -0.119 0.000 2.566 395 A HA 0.595 4.915 4.320 -0.001 0.000 0.297 395 A C -1.802 175.552 177.584 -0.384 0.000 1.059 395 A CA -0.933 50.936 52.037 -0.280 0.000 0.691 395 A CB 1.656 20.407 19.000 -0.416 0.000 1.282 395 A HN 0.231 nan 8.150 nan 0.000 0.401 396 E N 0.863 120.830 120.200 -0.388 0.000 2.218 396 E HA 0.616 4.965 4.350 -0.001 0.000 0.263 396 E C -1.411 175.026 176.600 -0.271 0.000 0.879 396 E CA -0.128 56.126 56.400 -0.243 0.000 0.762 396 E CB 1.334 30.987 29.700 -0.079 0.000 1.166 396 E HN 0.431 nan 8.360 nan 0.000 0.415 397 F N 3.547 123.600 119.950 0.172 0.000 2.385 397 F HA 0.439 4.966 4.527 0.000 0.000 0.336 397 F C -1.501 174.402 175.800 0.172 0.000 1.100 397 F CA -1.968 56.160 58.000 0.214 0.000 1.116 397 F CB 0.873 40.083 39.000 0.351 0.000 1.166 397 F HN 0.291 nan 8.300 nan 0.000 0.511 398 P HA 0.176 nan 4.420 nan 0.000 0.276 398 P C -0.746 176.695 177.300 0.236 0.000 1.244 398 P CA -0.427 62.807 63.100 0.224 0.000 0.801 398 P CB 1.157 32.956 31.700 0.166 0.000 1.006 399 T N -0.442 114.201 114.554 0.149 0.000 2.928 399 T HA 0.703 5.053 4.350 -0.001 0.000 0.284 399 T C -0.227 174.501 174.700 0.046 0.000 1.008 399 T CA -0.820 61.360 62.100 0.132 0.000 1.057 399 T CB 1.162 70.085 68.868 0.092 0.000 1.018 399 T HN 0.505 nan 8.240 nan 0.000 0.493 400 L N 1.319 122.565 121.223 0.038 0.000 2.505 400 L HA 0.682 5.022 4.340 -0.001 0.000 0.259 400 L C -0.961 175.893 176.870 -0.028 0.000 0.952 400 L CA -0.463 54.295 54.840 -0.136 0.000 0.840 400 L CB 2.157 43.898 42.059 -0.529 0.000 1.358 400 L HN 1.120 nan 8.230 nan 0.000 0.409 401 S N 2.381 118.021 115.700 -0.100 0.000 2.595 401 S HA 1.059 5.529 4.470 -0.001 0.000 0.281 401 S C -0.367 174.158 174.600 -0.125 0.000 1.117 401 S CA 0.011 58.210 58.200 -0.003 0.000 0.873 401 S CB 2.116 65.278 63.200 -0.063 0.000 1.108 401 S HN 1.764 nan 8.310 nan 0.000 0.477 402 G N 1.134 109.913 108.800 -0.036 0.000 2.343 402 G HA2 0.326 4.286 3.960 -0.001 0.000 0.562 402 G HA3 0.326 4.286 3.960 -0.001 0.000 0.562 402 G C -1.807 172.984 174.900 -0.182 0.000 1.269 402 G CA -0.048 44.934 45.100 -0.197 0.000 1.011 402 G HN 1.279 nan 8.290 nan 0.000 0.498 403 D N -1.656 118.516 120.400 -0.380 0.000 2.585 403 D HA 0.735 5.375 4.640 -0.001 0.000 0.254 403 D C -0.654 175.168 176.300 -0.796 0.000 1.067 403 D CA -1.092 52.703 54.000 -0.340 0.000 1.090 403 D CB 1.143 41.924 40.800 -0.032 0.000 1.408 403 D HN 0.408 nan 8.370 nan 0.000 0.554 404 F N -0.321 119.498 119.950 -0.220 0.000 2.627 404 F HA 0.418 4.945 4.527 -0.001 0.000 0.329 404 F C -0.795 174.857 175.800 -0.246 0.000 1.378 404 F CA -0.651 57.224 58.000 -0.208 0.000 1.134 404 F CB 0.247 39.150 39.000 -0.161 0.000 1.229 404 F HN 0.003 nan 8.300 nan 0.000 0.537 405 F N -0.691 119.445 119.950 0.310 0.000 2.563 405 F HA 0.515 5.042 4.527 -0.000 0.000 0.316 405 F C 0.414 176.462 175.800 0.413 0.000 1.076 405 F CA -1.156 57.088 58.000 0.406 0.000 0.921 405 F CB 2.067 41.296 39.000 0.382 0.000 1.209 405 F HN -0.257 nan 8.300 nan 0.000 0.462 406 T N 1.719 116.637 114.554 0.607 0.000 2.799 406 T HA 0.152 4.502 4.350 -0.001 0.000 0.286 406 T C -0.938 174.221 174.700 0.765 0.000 0.973 406 T CA -0.286 62.241 62.100 0.712 0.000 1.035 406 T CB 0.386 69.539 68.868 0.476 0.000 0.932 406 T HN 0.369 nan 8.240 nan 0.000 0.469 407 Y N 2.845 123.468 120.300 0.538 0.000 2.497 407 Y HA 0.413 4.962 4.550 -0.001 0.000 0.334 407 Y C -0.179 175.748 175.900 0.045 0.000 1.199 407 Y CA -1.023 57.219 58.100 0.237 0.000 1.425 407 Y CB 0.162 38.649 38.460 0.044 0.000 1.291 407 Y HN 0.687 nan 8.280 nan 0.000 0.562 408 A N 5.261 127.598 122.820 -0.805 0.000 2.408 408 A HA 0.343 4.663 4.320 -0.001 0.000 0.295 408 A C -0.231 176.765 177.584 -0.980 0.000 1.040 408 A CA -0.255 51.175 52.037 -1.012 0.000 0.707 408 A CB 0.655 18.732 19.000 -1.539 0.000 1.235 408 A HN 0.801 nan 8.150 nan 0.000 0.418 409 D N 1.776 121.759 120.400 -0.696 0.000 2.346 409 D HA 0.062 4.702 4.640 -0.001 0.000 0.206 409 D C 0.527 176.873 176.300 0.075 0.000 1.001 409 D CA 0.535 54.380 54.000 -0.258 0.000 0.871 409 D CB 0.195 40.926 40.800 -0.115 0.000 0.943 409 D HN 0.739 nan 8.370 nan 0.000 0.518 410 R N -1.108 119.381 120.500 -0.018 0.000 2.687 410 R HA 0.341 4.680 4.340 -0.001 0.000 0.265 410 R C 0.143 176.381 176.300 -0.104 0.000 1.048 410 R CA -0.069 55.886 56.100 -0.243 0.000 0.884 410 R CB 0.625 30.837 30.300 -0.145 0.000 1.258 410 R HN -0.005 nan 8.270 nan 0.000 0.469 411 S N 1.148 116.739 115.700 -0.181 0.000 4.106 411 S HA -0.375 4.095 4.470 -0.001 0.000 0.541 411 S C 0.662 175.369 174.600 0.179 0.000 1.846 411 S CA 1.665 59.891 58.200 0.044 0.000 4.137 411 S CB -1.579 61.622 63.200 0.001 0.000 0.892 411 S HN 1.060 nan 8.310 nan 0.000 0.535 412 D N 1.672 122.155 120.400 0.140 0.000 2.388 412 D HA 0.166 4.806 4.640 -0.001 0.000 0.221 412 D C -0.154 176.271 176.300 0.209 0.000 1.133 412 D CA -0.273 53.873 54.000 0.243 0.000 0.831 412 D CB -1.570 39.349 40.800 0.199 0.000 0.962 412 D HN 0.649 nan 8.370 nan 0.000 0.502 413 N N 0.989 119.717 118.700 0.047 0.000 2.671 413 N HA 0.033 4.772 4.740 -0.001 0.000 0.274 413 N C -0.911 174.625 175.510 0.043 0.000 1.188 413 N CA -0.256 52.816 53.050 0.035 0.000 1.065 413 N CB 0.075 38.562 38.487 0.001 0.000 1.415 413 N HN 0.140 nan 8.380 nan 0.000 0.511 414 Y N 0.242 120.620 120.300 0.130 0.000 2.316 414 Y HA 0.119 4.668 4.550 -0.001 0.000 0.331 414 Y C 0.107 176.195 175.900 0.314 0.000 1.083 414 Y CA -0.748 57.490 58.100 0.231 0.000 1.206 414 Y CB 0.518 39.068 38.460 0.149 0.000 1.195 414 Y HN 0.375 nan 8.280 nan 0.000 0.497 415 W N 2.473 123.882 121.300 0.183 0.000 1.496 415 W HA 0.225 4.885 4.660 -0.000 0.000 0.422 415 W C 0.813 177.358 176.519 0.045 0.000 0.638 415 W CA -0.603 56.880 57.345 0.231 0.000 2.105 415 W CB -0.633 29.063 29.460 0.393 0.000 1.639 415 W HN 0.553 nan 8.180 nan 0.000 0.304 416 S N -1.958 113.761 115.700 0.032 0.000 2.524 416 S HA 0.141 4.611 4.470 -0.001 0.000 0.215 416 S C 1.918 176.230 174.600 -0.479 0.000 0.986 416 S CA 0.302 58.152 58.200 -0.584 0.000 0.911 416 S CB 0.198 63.393 63.200 -0.009 0.000 0.805 416 S HN 0.345 nan 8.310 nan 0.000 0.501 417 G N 1.979 110.706 108.800 -0.123 0.000 2.408 417 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.217 417 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.217 417 G C 1.239 176.119 174.900 -0.034 0.000 1.150 417 G CA 0.835 45.879 45.100 -0.092 0.000 0.776 417 G HN 0.795 nan 8.290 nan 0.000 0.542 418 Y N -0.909 119.363 120.300 -0.046 0.000 2.680 418 Y HA 0.164 4.714 4.550 -0.001 0.000 0.303 418 Y C 1.901 177.929 175.900 0.212 0.000 1.166 418 Y CA 0.011 58.160 58.100 0.081 0.000 1.344 418 Y CB -0.526 38.050 38.460 0.194 0.000 1.002 418 Y HN 0.339 nan 8.280 nan 0.000 0.537 419 Y N 0.143 120.246 120.300 -0.329 0.000 2.571 419 Y HA -0.076 4.474 4.550 -0.001 0.000 0.294 419 Y C 1.469 177.319 175.900 -0.084 0.000 1.141 419 Y CA 0.590 58.510 58.100 -0.299 0.000 1.308 419 Y CB 0.265 38.589 38.460 -0.227 0.000 1.002 419 Y HN 0.260 nan 8.280 nan 0.000 0.551 420 T N -2.221 112.401 114.554 0.114 0.000 2.964 420 T HA 0.038 4.388 4.350 -0.001 0.000 0.250 420 T C 0.619 175.405 174.700 0.143 0.000 0.982 420 T CA -0.157 62.009 62.100 0.110 0.000 0.959 420 T CB 0.113 69.017 68.868 0.059 0.000 1.141 420 T HN -0.095 nan 8.240 nan 0.000 0.494 421 S N 2.614 118.396 115.700 0.137 0.000 2.642 421 S HA 0.133 4.603 4.470 -0.001 0.000 0.308 421 S C 0.419 175.154 174.600 0.224 0.000 1.255 421 S CA 0.087 58.381 58.200 0.157 0.000 1.057 421 S CB 0.021 63.300 63.200 0.131 0.000 0.785 421 S HN 0.409 nan 8.310 nan 0.000 0.500 422 R N 1.226 121.875 120.500 0.249 0.000 3.146 422 R HA -0.123 4.216 4.340 -0.001 0.000 0.250 422 R C -1.869 174.668 176.300 0.395 0.000 0.912 422 R CA 0.693 57.011 56.100 0.364 0.000 0.633 422 R CB -1.739 28.817 30.300 0.425 0.000 1.180 422 R HN 0.518 nan 8.270 nan 0.000 0.464 423 P HA -0.240 nan 4.420 nan 0.000 0.222 423 P C 1.093 178.590 177.300 0.327 0.000 1.147 423 P CA 1.067 64.376 63.100 0.350 0.000 0.790 423 P CB -0.009 31.947 31.700 0.426 0.000 0.780 424 Y N 1.531 121.910 120.300 0.132 0.000 2.145 424 Y HA -0.228 4.322 4.550 -0.001 0.000 0.286 424 Y C 2.648 178.530 175.900 -0.030 0.000 1.145 424 Y CA 1.872 59.969 58.100 -0.006 0.000 1.148 424 Y CB -0.839 37.477 38.460 -0.240 0.000 0.981 424 Y HN 0.064 nan 8.280 nan 0.000 0.507 425 H N -0.451 118.851 119.070 0.386 0.000 2.502 425 H HA -0.021 4.534 4.556 -0.001 0.000 0.283 425 H C 1.964 177.438 175.328 0.244 0.000 1.015 425 H CA 1.184 57.384 56.048 0.253 0.000 1.298 425 H CB 0.027 30.011 29.762 0.370 0.000 1.411 425 H HN 0.405 nan 8.280 nan 0.000 0.556 426 K N 0.696 121.297 120.400 0.335 0.000 2.057 426 K HA -0.122 4.198 4.320 -0.001 0.000 0.206 426 K C 2.410 179.057 176.600 0.079 0.000 1.050 426 K CA 0.835 57.266 56.287 0.239 0.000 0.935 426 K CB 0.166 32.787 32.500 0.201 0.000 0.715 426 K HN -0.016 nan 8.250 nan 0.000 0.439 427 R N 1.408 121.919 120.500 0.019 0.000 2.090 427 R HA 0.017 4.357 4.340 -0.001 0.000 0.228 427 R C 2.010 178.035 176.300 -0.459 0.000 1.110 427 R CA 1.342 57.378 56.100 -0.105 0.000 0.973 427 R CB -0.396 29.936 30.300 0.053 0.000 0.869 427 R HN 0.140 nan 8.270 nan 0.000 0.440 428 M N 0.264 119.464 119.600 -0.667 0.000 2.159 428 M HA -0.187 4.293 4.480 -0.001 0.000 0.263 428 M C 1.453 177.396 176.300 -0.596 0.000 1.063 428 M CA 2.424 57.078 55.300 -1.078 0.000 1.110 428 M CB -0.312 31.864 32.600 -0.707 0.000 1.374 428 M HN 0.292 nan 8.290 nan 0.000 0.411 429 D N -0.287 119.971 120.400 -0.236 0.000 2.116 429 D HA -0.220 4.419 4.640 -0.001 0.000 0.193 429 D C 1.905 178.118 176.300 -0.144 0.000 0.998 429 D CA 1.441 55.407 54.000 -0.057 0.000 0.836 429 D CB 0.118 41.037 40.800 0.198 0.000 0.951 429 D HN 0.216 nan 8.370 nan 0.000 0.449 430 R N 0.072 120.468 120.500 -0.172 0.000 2.092 430 R HA -0.028 4.312 4.340 -0.001 0.000 0.231 430 R C 2.436 178.616 176.300 -0.199 0.000 1.119 430 R CA 0.505 56.509 56.100 -0.161 0.000 0.970 430 R CB -0.971 29.254 30.300 -0.125 0.000 0.864 430 R HN 0.268 nan 8.270 nan 0.000 0.440 431 V N 1.482 121.181 119.914 -0.358 0.000 2.307 431 V HA -0.210 3.910 4.120 -0.001 0.000 0.245 431 V C 2.376 178.289 176.094 -0.301 0.000 1.045 431 V CA 1.459 63.530 62.300 -0.381 0.000 1.024 431 V CB -0.586 30.732 31.823 -0.843 0.000 0.651 431 V HN 0.133 nan 8.190 nan 0.000 0.449 432 L N -0.278 120.703 121.223 -0.404 0.000 2.083 432 L HA -0.162 4.178 4.340 -0.001 0.000 0.209 432 L C 2.336 179.135 176.870 -0.119 0.000 1.083 432 L CA 2.095 56.762 54.840 -0.288 0.000 0.752 432 L CB -0.684 41.209 42.059 -0.276 0.000 0.899 432 L HN 0.346 nan 8.230 nan 0.000 0.433 433 M N -1.490 118.039 119.600 -0.119 0.000 2.082 433 M HA -0.314 4.166 4.480 -0.001 0.000 0.258 433 M C 2.431 178.692 176.300 -0.063 0.000 1.069 433 M CA 2.306 57.540 55.300 -0.110 0.000 1.102 433 M CB -0.631 31.871 32.600 -0.163 0.000 1.336 433 M HN 0.525 nan 8.290 nan 0.000 0.404 434 H N -0.895 118.135 119.070 -0.067 0.000 2.363 434 H HA -0.165 4.391 4.556 -0.001 0.000 0.301 434 H C 1.688 177.071 175.328 0.091 0.000 1.074 434 H CA 2.032 58.079 56.048 -0.002 0.000 1.354 434 H CB -0.252 29.519 29.762 0.016 0.000 1.397 434 H HN 0.461 nan 8.280 nan 0.000 0.516 435 Y N 0.500 120.678 120.300 -0.204 0.000 2.224 435 Y HA -0.167 4.383 4.550 -0.001 0.000 0.289 435 Y C 2.955 178.736 175.900 -0.198 0.000 1.146 435 Y CA 1.036 59.014 58.100 -0.204 0.000 1.182 435 Y CB -0.588 37.807 38.460 -0.108 0.000 0.983 435 Y HN 0.020 nan 8.280 nan 0.000 0.524 436 V N 0.141 120.051 119.914 -0.007 0.000 2.295 436 V HA -0.306 3.813 4.120 -0.001 0.000 0.246 436 V C 2.533 178.567 176.094 -0.100 0.000 1.049 436 V CA 2.192 64.456 62.300 -0.061 0.000 1.024 436 V CB -0.573 31.205 31.823 -0.076 0.000 0.648 436 V HN 0.317 nan 8.190 nan 0.000 0.447 437 R N 0.443 120.862 120.500 -0.135 0.000 2.073 437 R HA -0.168 4.171 4.340 -0.001 0.000 0.234 437 R C 2.250 178.479 176.300 -0.118 0.000 1.134 437 R CA 1.868 57.892 56.100 -0.126 0.000 0.952 437 R CB -0.510 29.712 30.300 -0.129 0.000 0.850 437 R HN 0.451 nan 8.270 nan 0.000 0.433 438 A N 0.680 123.373 122.820 -0.212 0.000 1.933 438 A HA -0.062 4.257 4.320 -0.001 0.000 0.218 438 A C 2.368 179.891 177.584 -0.101 0.000 1.175 438 A CA 1.618 53.583 52.037 -0.120 0.000 0.628 438 A CB -0.723 18.129 19.000 -0.247 0.000 0.814 438 A HN 0.582 nan 8.150 nan 0.000 0.444 439 A N -0.218 122.537 122.820 -0.109 0.000 1.898 439 A HA -0.134 4.186 4.320 -0.001 0.000 0.216 439 A C 1.937 179.465 177.584 -0.093 0.000 1.181 439 A CA 1.497 53.481 52.037 -0.089 0.000 0.620 439 A CB -0.472 18.486 19.000 -0.069 0.000 0.819 439 A HN 0.611 nan 8.150 nan 0.000 0.442 440 E N -0.984 119.159 120.200 -0.094 0.000 2.106 440 E HA -0.176 4.174 4.350 -0.001 0.000 0.192 440 E C 2.046 178.574 176.600 -0.120 0.000 0.984 440 E CA 1.260 57.596 56.400 -0.106 0.000 0.806 440 E CB -0.230 29.410 29.700 -0.100 0.000 0.750 440 E HN 0.737 nan 8.360 nan 0.000 0.458 441 M N 0.677 120.225 119.600 -0.087 0.000 2.098 441 M HA -0.130 4.349 4.480 -0.001 0.000 0.262 441 M C 2.173 178.447 176.300 -0.043 0.000 1.072 441 M CA 1.281 56.526 55.300 -0.092 0.000 1.133 441 M CB 0.053 32.690 32.600 0.063 0.000 1.344 441 M HN 0.081 nan 8.290 nan 0.000 0.414 442 L N 0.093 121.349 121.223 0.055 0.000 2.079 442 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 442 L C 2.609 179.625 176.870 0.244 0.000 1.081 442 L CA 1.740 56.677 54.840 0.161 0.000 0.752 442 L CB -0.514 41.492 42.059 -0.090 0.000 0.896 442 L HN 0.510 nan 8.230 nan 0.000 0.433 443 S N -1.069 114.691 115.700 0.100 0.000 2.496 443 S HA 0.067 4.537 4.470 -0.001 0.000 0.224 443 S C 1.964 176.727 174.600 0.271 0.000 0.996 443 S CA 0.379 58.701 58.200 0.203 0.000 0.927 443 S CB 0.006 63.132 63.200 -0.124 0.000 0.774 443 S HN 0.293 nan 8.310 nan 0.000 0.524 444 A N 0.761 123.570 122.820 -0.017 0.000 2.067 444 A HA 0.114 4.434 4.320 -0.001 0.000 0.219 444 A C 1.656 179.134 177.584 -0.178 0.000 1.158 444 A CA 0.636 52.571 52.037 -0.170 0.000 0.661 444 A CB -1.136 17.619 19.000 -0.410 0.000 0.801 444 A HN 0.762 nan 8.150 nan 0.000 0.452 445 W N -0.719 120.605 121.300 0.040 0.000 2.425 445 W HA 0.001 4.660 4.660 -0.001 0.000 0.277 445 W C 0.886 177.209 176.519 -0.326 0.000 1.231 445 W CA 0.910 58.188 57.345 -0.112 0.000 1.248 445 W CB -0.123 29.251 29.460 -0.143 0.000 1.117 445 W HN 0.386 nan 8.180 nan 0.000 0.568 446 H N -2.295 116.859 119.070 0.139 0.000 2.771 446 H HA 0.364 4.920 4.556 -0.001 0.000 0.367 446 H C -0.463 174.782 175.328 -0.138 0.000 1.172 446 H CA -0.903 55.063 56.048 -0.137 0.000 1.186 446 H CB 1.818 31.255 29.762 -0.542 0.000 1.790 446 H HN -0.436 nan 8.280 nan 0.000 0.556 447 S N 1.025 116.687 115.700 -0.064 0.000 2.525 447 S HA 0.328 4.797 4.470 -0.001 0.000 0.278 447 S C -1.323 173.193 174.600 -0.140 0.000 1.234 447 S CA -0.657 57.540 58.200 -0.005 0.000 1.058 447 S CB 0.199 63.395 63.200 -0.007 0.000 0.983 447 S HN 0.401 nan 8.310 nan 0.000 0.495 448 W N 2.183 123.489 121.300 0.011 0.000 2.706 448 W HA 0.401 5.060 4.660 -0.001 0.000 0.346 448 W C 0.172 176.656 176.519 -0.058 0.000 1.071 448 W CA -0.776 56.551 57.345 -0.030 0.000 1.206 448 W CB 0.625 30.034 29.460 -0.085 0.000 1.413 448 W HN 0.556 nan 8.180 nan 0.000 0.542 449 D N 0.691 121.179 120.400 0.146 0.000 2.345 449 D HA 0.069 4.708 4.640 -0.001 0.000 0.247 449 D C 1.420 177.721 176.300 0.002 0.000 1.108 449 D CA 0.496 54.537 54.000 0.069 0.000 0.894 449 D CB 1.842 42.706 40.800 0.106 0.000 1.203 449 D HN 0.642 nan 8.370 nan 0.000 0.430 450 G N 3.321 112.131 108.800 0.017 0.000 2.475 450 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.220 450 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.220 450 G C 1.596 176.471 174.900 -0.042 0.000 1.125 450 G CA 0.568 45.664 45.100 -0.006 0.000 0.755 450 G HN 0.580 nan 8.290 nan 0.000 0.565 451 M N 0.696 120.281 119.600 -0.026 0.000 2.358 451 M HA -0.014 4.466 4.480 -0.001 0.000 0.264 451 M C 2.843 179.047 176.300 -0.161 0.000 1.064 451 M CA 1.113 56.420 55.300 0.011 0.000 1.093 451 M CB -0.098 32.618 32.600 0.192 0.000 1.401 451 M HN 0.323 nan 8.290 nan 0.000 0.440 452 A N 0.021 122.501 122.820 -0.566 0.000 2.168 452 A HA -0.043 4.277 4.320 -0.001 0.000 0.215 452 A C 1.205 178.584 177.584 -0.342 0.000 1.152 452 A CA 0.490 51.991 52.037 -0.895 0.000 0.716 452 A CB -0.372 18.032 19.000 -0.994 0.000 0.794 452 A HN 0.568 nan 8.150 nan 0.000 0.465 453 R N -1.714 118.665 120.500 -0.202 0.000 3.741 453 R HA -0.192 4.148 4.340 -0.001 0.000 0.292 453 R C 0.723 176.922 176.300 -0.168 0.000 1.176 453 R CA 0.730 56.755 56.100 -0.126 0.000 0.794 453 R CB -2.040 28.220 30.300 -0.067 0.000 1.213 453 R HN 0.487 nan 8.270 nan 0.000 0.494 454 I N 0.574 120.994 120.570 -0.249 0.000 2.163 454 I HA -0.205 3.964 4.170 -0.001 0.000 0.240 454 I C 2.141 178.138 176.117 -0.199 0.000 1.081 454 I CA 1.734 62.839 61.300 -0.324 0.000 1.353 454 I CB -0.758 36.911 38.000 -0.553 0.000 1.054 454 I HN 0.192 nan 8.210 nan 0.000 0.407 455 E N 0.723 120.842 120.200 -0.134 0.000 2.118 455 E HA -0.240 4.109 4.350 -0.001 0.000 0.195 455 E C 2.091 178.647 176.600 -0.074 0.000 0.992 455 E CA 1.261 57.610 56.400 -0.086 0.000 0.804 455 E CB -0.254 29.419 29.700 -0.045 0.000 0.741 455 E HN 0.474 nan 8.360 nan 0.000 0.458 456 E N 0.350 120.508 120.200 -0.070 0.000 2.038 456 E HA -0.254 4.096 4.350 -0.001 0.000 0.195 456 E C 1.969 178.531 176.600 -0.062 0.000 1.000 456 E CA 1.114 57.482 56.400 -0.053 0.000 0.803 456 E CB 0.090 29.764 29.700 -0.044 0.000 0.750 456 E HN -0.027 nan 8.360 nan 0.000 0.448 457 R N 0.362 120.814 120.500 -0.079 0.000 2.081 457 R HA -0.043 4.297 4.340 -0.001 0.000 0.235 457 R C 2.391 178.642 176.300 -0.081 0.000 1.131 457 R CA 0.922 56.977 56.100 -0.075 0.000 0.960 457 R CB -0.595 29.654 30.300 -0.085 0.000 0.856 457 R HN 0.289 nan 8.270 nan 0.000 0.436 458 L N -0.091 121.073 121.223 -0.099 0.000 2.093 458 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 458 L C 2.361 179.174 176.870 -0.095 0.000 1.085 458 L CA 1.408 56.189 54.840 -0.099 0.000 0.755 458 L CB -0.391 41.602 42.059 -0.110 0.000 0.904 458 L HN 0.311 nan 8.230 nan 0.000 0.435 459 E N 0.030 120.178 120.200 -0.087 0.000 2.072 459 E HA -0.289 4.061 4.350 -0.001 0.000 0.191 459 E C 2.209 178.741 176.600 -0.113 0.000 0.985 459 E CA 1.149 57.490 56.400 -0.098 0.000 0.801 459 E CB 0.042 29.704 29.700 -0.063 0.000 0.750 459 E HN 0.421 nan 8.360 nan 0.000 0.452 460 Q N -0.001 119.751 119.800 -0.081 0.000 2.050 460 Q HA -0.202 4.138 4.340 -0.001 0.000 0.202 460 Q C 2.094 178.046 176.000 -0.081 0.000 0.980 460 Q CA 1.566 57.328 55.803 -0.068 0.000 0.840 460 Q CB -0.210 28.502 28.738 -0.043 0.000 0.898 460 Q HN 0.340 nan 8.270 nan 0.000 0.424 461 A N 1.147 123.919 122.820 -0.079 0.000 1.883 461 A HA -0.207 4.113 4.320 -0.001 0.000 0.217 461 A C 2.095 179.617 177.584 -0.103 0.000 1.186 461 A CA 1.566 53.556 52.037 -0.078 0.000 0.624 461 A CB -0.553 18.407 19.000 -0.066 0.000 0.822 461 A HN 0.372 nan 8.150 nan 0.000 0.444 462 R N -0.852 119.569 120.500 -0.132 0.000 2.081 462 R HA -0.093 4.247 4.340 -0.001 0.000 0.235 462 R C 2.457 178.610 176.300 -0.245 0.000 1.131 462 R CA 1.591 57.589 56.100 -0.171 0.000 0.960 462 R CB -0.283 29.905 30.300 -0.186 0.000 0.856 462 R HN 0.501 nan 8.270 nan 0.000 0.436 463 R N 0.273 120.596 120.500 -0.295 0.000 2.090 463 R HA -0.067 4.273 4.340 -0.001 0.000 0.228 463 R C 2.071 178.304 176.300 -0.112 0.000 1.110 463 R CA 0.898 56.764 56.100 -0.391 0.000 0.973 463 R CB 0.012 30.102 30.300 -0.352 0.000 0.869 463 R HN 0.209 nan 8.270 nan 0.000 0.440 464 E N 0.805 120.969 120.200 -0.059 0.000 2.072 464 E HA -0.165 4.185 4.350 -0.001 0.000 0.190 464 E C 1.984 178.602 176.600 0.031 0.000 0.982 464 E CA 0.767 57.172 56.400 0.008 0.000 0.803 464 E CB -0.182 29.512 29.700 -0.010 0.000 0.755 464 E HN 0.158 nan 8.360 nan 0.000 0.453 465 L N 1.139 122.354 121.223 -0.014 0.000 2.093 465 L HA -0.049 4.291 4.340 -0.001 0.000 0.208 465 L C 2.163 179.069 176.870 0.059 0.000 1.085 465 L CA 1.505 56.355 54.840 0.016 0.000 0.755 465 L CB -0.479 41.557 42.059 -0.039 0.000 0.904 465 L HN -0.110 nan 8.230 nan 0.000 0.435 466 S N -0.363 115.339 115.700 0.003 0.000 2.368 466 S HA -0.170 4.299 4.470 -0.001 0.000 0.225 466 S C 1.832 176.555 174.600 0.204 0.000 1.030 466 S CA 1.562 59.793 58.200 0.051 0.000 0.999 466 S CB -0.563 62.565 63.200 -0.120 0.000 0.844 466 S HN 0.471 nan 8.310 nan 0.000 0.459 467 L N 0.697 122.074 121.223 0.257 0.000 2.046 467 L HA -0.001 4.338 4.340 -0.001 0.000 0.208 467 L C 1.852 178.807 176.870 0.141 0.000 1.077 467 L CA 1.625 56.610 54.840 0.241 0.000 0.747 467 L CB -0.636 41.532 42.059 0.182 0.000 0.896 467 L HN 0.279 nan 8.230 nan 0.000 0.432 468 F N -0.163 119.735 119.950 -0.086 0.000 2.451 468 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 468 F C 2.159 177.870 175.800 -0.148 0.000 1.101 468 F CA 0.892 58.736 58.000 -0.261 0.000 1.436 468 F CB -0.250 38.632 39.000 -0.197 0.000 1.074 468 F HN 0.266 nan 8.300 nan 0.000 0.553 469 Q N -0.405 119.350 119.800 -0.076 0.000 2.488 469 Q HA -0.136 4.204 4.340 -0.001 0.000 0.211 469 Q C 0.780 176.725 176.000 -0.091 0.000 0.967 469 Q CA 0.395 56.135 55.803 -0.105 0.000 0.926 469 Q CB -1.212 27.534 28.738 0.013 0.000 0.992 469 Q HN 0.568 nan 8.270 nan 0.000 0.506 470 H N 1.783 120.743 119.070 -0.183 0.000 2.998 470 H HA -0.094 4.461 4.556 -0.001 0.000 0.353 470 H C 0.974 176.166 175.328 -0.227 0.000 1.099 470 H CA 0.351 56.295 56.048 -0.173 0.000 1.393 470 H CB 0.702 30.371 29.762 -0.154 0.000 1.343 470 H HN 0.316 nan 8.280 nan 0.000 0.609 471 H N 2.535 121.214 119.070 -0.652 0.000 2.562 471 H HA -0.010 4.546 4.556 -0.000 0.000 0.272 471 H C -0.255 174.684 175.328 -0.649 0.000 1.019 471 H CA 0.305 55.937 56.048 -0.694 0.000 1.160 471 H CB 0.227 29.541 29.762 -0.748 0.000 1.334 471 H HN 0.582 nan 8.280 nan 0.000 0.611 472 D N 0.054 119.868 120.400 -0.977 0.000 2.520 472 D HA 0.123 4.763 4.640 -0.001 0.000 0.223 472 D C 1.681 177.978 176.300 -0.005 0.000 1.186 472 D CA 0.332 54.195 54.000 -0.229 0.000 0.821 472 D CB 0.857 41.690 40.800 0.055 0.000 1.072 472 D HN 0.506 nan 8.370 nan 0.000 0.518 473 G N 1.258 109.864 108.800 -0.324 0.000 2.618 473 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.222 473 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.222 473 G C 1.361 175.732 174.900 -0.881 0.000 1.520 473 G CA -0.155 44.552 45.100 -0.655 0.000 0.930 473 G HN 0.203 nan 8.290 nan 0.000 0.547 474 I N 1.985 121.712 120.570 -1.405 0.000 2.530 474 I HA -0.172 3.997 4.170 -0.001 0.000 0.257 474 I C 2.855 178.866 176.117 -0.177 0.000 1.179 474 I CA 2.066 62.798 61.300 -0.946 0.000 1.440 474 I CB -0.032 37.579 38.000 -0.649 0.000 1.087 474 I HN 0.376 nan 8.210 nan 0.000 0.440 475 T N -1.725 112.787 114.554 -0.070 0.000 3.007 475 T HA 0.039 4.388 4.350 -0.001 0.000 0.270 475 T C 1.552 176.401 174.700 0.248 0.000 1.107 475 T CA 0.620 62.871 62.100 0.250 0.000 1.118 475 T CB -0.504 68.530 68.868 0.276 0.000 0.889 475 T HN 0.639 nan 8.240 nan 0.000 0.506 476 G N 1.447 110.347 108.800 0.167 0.000 2.198 476 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.257 476 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.257 476 G C 0.539 175.512 174.900 0.122 0.000 1.042 476 G CA 0.627 45.847 45.100 0.199 0.000 0.791 476 G HN 1.138 nan 8.290 nan 0.000 0.502 477 T N -3.429 111.186 114.554 0.102 0.000 3.174 477 T HA 0.732 5.082 4.350 -0.001 0.000 0.269 477 T C 0.913 175.800 174.700 0.312 0.000 1.017 477 T CA 1.045 63.133 62.100 -0.020 0.000 0.899 477 T CB 0.985 69.633 68.868 -0.366 0.000 1.077 477 T HN 1.573 nan 8.240 nan 0.000 0.552 478 A N 1.398 124.424 122.820 0.343 0.000 2.269 478 A HA 0.695 5.015 4.320 -0.001 0.000 0.319 478 A C 0.147 177.833 177.584 0.170 0.000 1.110 478 A CA -0.951 51.319 52.037 0.389 0.000 0.847 478 A CB 0.824 20.086 19.000 0.437 0.000 1.161 478 A HN 0.433 nan 8.150 nan 0.000 0.497 479 K N -0.138 120.293 120.400 0.051 0.000 2.276 479 K HA 0.185 4.505 4.320 -0.001 0.000 0.259 479 K C 1.059 177.673 176.600 0.023 0.000 1.001 479 K CA 0.298 56.597 56.287 0.020 0.000 0.927 479 K CB 0.309 32.813 32.500 0.007 0.000 0.969 479 K HN 0.710 nan 8.250 nan 0.000 0.490 480 T N 1.239 115.834 114.554 0.067 0.000 2.653 480 T HA -0.207 4.142 4.350 -0.001 0.000 0.268 480 T C 1.675 176.409 174.700 0.058 0.000 1.035 480 T CA 1.851 63.992 62.100 0.069 0.000 1.154 480 T CB -0.420 68.496 68.868 0.080 0.000 0.862 480 T HN 0.697 nan 8.240 nan 0.000 0.441 481 H N 0.447 119.507 119.070 -0.018 0.000 2.495 481 H HA 0.122 4.678 4.556 -0.001 0.000 0.287 481 H C 1.974 177.265 175.328 -0.061 0.000 1.033 481 H CA 0.772 56.801 56.048 -0.032 0.000 1.307 481 H CB -0.702 29.038 29.762 -0.036 0.000 1.401 481 H HN 0.279 nan 8.280 nan 0.000 0.555 482 V N 1.081 120.628 119.914 -0.611 0.000 2.591 482 V HA -0.141 3.978 4.120 -0.001 0.000 0.249 482 V C 2.944 178.811 176.094 -0.378 0.000 1.053 482 V CA 0.988 62.943 62.300 -0.575 0.000 1.068 482 V CB -0.275 31.278 31.823 -0.450 0.000 0.689 482 V HN 0.231 nan 8.190 nan 0.000 0.462 483 V N -0.094 119.740 119.914 -0.132 0.000 2.427 483 V HA -0.194 3.925 4.120 -0.001 0.000 0.248 483 V C 2.445 178.496 176.094 -0.071 0.000 1.051 483 V CA 1.714 64.000 62.300 -0.023 0.000 1.048 483 V CB -0.354 31.433 31.823 -0.060 0.000 0.666 483 V HN 0.417 nan 8.190 nan 0.000 0.456 484 V N 0.474 120.358 119.914 -0.049 0.000 2.407 484 V HA -0.289 3.831 4.120 -0.001 0.000 0.248 484 V C 2.301 178.395 176.094 0.000 0.000 1.055 484 V CA 2.395 64.701 62.300 0.009 0.000 1.049 484 V CB -0.657 31.184 31.823 0.032 0.000 0.662 484 V HN 0.630 nan 8.190 nan 0.000 0.455 485 D N -0.913 119.439 120.400 -0.080 0.000 2.097 485 D HA -0.197 4.443 4.640 -0.001 0.000 0.195 485 D C 2.021 178.319 176.300 -0.003 0.000 0.989 485 D CA 1.619 55.573 54.000 -0.078 0.000 0.827 485 D CB -0.249 40.441 40.800 -0.183 0.000 0.966 485 D HN 0.585 nan 8.370 nan 0.000 0.456 486 Y N 0.464 120.778 120.300 0.023 0.000 2.181 486 Y HA -0.144 4.405 4.550 -0.001 0.000 0.288 486 Y C 2.589 178.431 175.900 -0.096 0.000 1.146 486 Y CA 1.117 59.216 58.100 -0.002 0.000 1.164 486 Y CB -0.108 38.395 38.460 0.072 0.000 0.982 486 Y HN 0.082 nan 8.280 nan 0.000 0.515 487 E N 0.455 120.726 120.200 0.119 0.000 2.077 487 E HA -0.264 4.086 4.350 -0.001 0.000 0.193 487 E C 2.013 178.673 176.600 0.101 0.000 0.989 487 E CA 1.315 57.803 56.400 0.148 0.000 0.800 487 E CB -0.043 29.832 29.700 0.291 0.000 0.746 487 E HN 0.572 nan 8.360 nan 0.000 0.452 488 Q N -0.066 119.783 119.800 0.083 0.000 2.084 488 Q HA -0.171 4.168 4.340 -0.001 0.000 0.202 488 Q C 2.329 178.356 176.000 0.046 0.000 0.978 488 Q CA 1.447 57.286 55.803 0.061 0.000 0.844 488 Q CB -0.089 28.678 28.738 0.049 0.000 0.898 488 Q HN 0.190 nan 8.270 nan 0.000 0.426 489 R N 0.043 120.573 120.500 0.051 0.000 2.081 489 R HA -0.071 4.268 4.340 -0.001 0.000 0.235 489 R C 2.268 178.571 176.300 0.005 0.000 1.131 489 R CA 1.451 57.574 56.100 0.039 0.000 0.960 489 R CB -0.171 30.176 30.300 0.077 0.000 0.856 489 R HN 0.297 nan 8.270 nan 0.000 0.436 490 M N -0.049 119.538 119.600 -0.021 0.000 2.229 490 M HA -0.158 4.321 4.480 -0.001 0.000 0.264 490 M C 2.265 178.531 176.300 -0.057 0.000 1.063 490 M CA 1.311 56.562 55.300 -0.081 0.000 1.114 490 M CB -0.088 32.404 32.600 -0.180 0.000 1.387 490 M HN 0.046 nan 8.290 nan 0.000 0.420 491 Q N 1.115 120.916 119.800 0.001 0.000 2.079 491 Q HA -0.152 4.188 4.340 -0.001 0.000 0.200 491 Q C 1.515 177.518 176.000 0.005 0.000 0.974 491 Q CA 1.760 57.577 55.803 0.024 0.000 0.840 491 Q CB -0.061 28.715 28.738 0.063 0.000 0.898 491 Q HN 0.509 nan 8.270 nan 0.000 0.430 492 E N -0.572 119.630 120.200 0.004 0.000 2.106 492 E HA -0.147 4.203 4.350 -0.001 0.000 0.192 492 E C 1.846 178.438 176.600 -0.013 0.000 0.984 492 E CA 0.827 57.227 56.400 0.001 0.000 0.806 492 E CB -0.187 29.516 29.700 0.005 0.000 0.750 492 E HN 0.468 nan 8.360 nan 0.000 0.458 493 A N 1.285 124.087 122.820 -0.030 0.000 1.933 493 A HA -0.143 4.177 4.320 -0.001 0.000 0.218 493 A C 2.188 179.747 177.584 -0.043 0.000 1.175 493 A CA 0.948 52.958 52.037 -0.044 0.000 0.628 493 A CB -0.565 18.396 19.000 -0.065 0.000 0.814 493 A HN 0.125 nan 8.150 nan 0.000 0.444 494 L N -0.722 120.459 121.223 -0.070 0.000 2.046 494 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 494 L C 2.584 179.473 176.870 0.031 0.000 1.077 494 L CA 1.640 56.431 54.840 -0.081 0.000 0.747 494 L CB -0.398 41.554 42.059 -0.178 0.000 0.896 494 L HN 0.366 nan 8.230 nan 0.000 0.432 495 K N -0.091 120.321 120.400 0.019 0.000 2.097 495 K HA -0.127 4.192 4.320 -0.001 0.000 0.205 495 K C 2.236 178.854 176.600 0.030 0.000 1.050 495 K CA 1.263 57.570 56.287 0.033 0.000 0.938 495 K CB -0.221 32.289 32.500 0.018 0.000 0.718 495 K HN 0.276 nan 8.250 nan 0.000 0.442 496 A N 1.575 124.401 122.820 0.011 0.000 1.877 496 A HA -0.207 4.113 4.320 -0.001 0.000 0.216 496 A C 2.603 180.188 177.584 0.002 0.000 1.186 496 A CA 1.840 53.874 52.037 -0.005 0.000 0.620 496 A CB -1.136 17.849 19.000 -0.024 0.000 0.822 496 A HN 0.623 nan 8.150 nan 0.000 0.443 497 C N -1.138 118.182 119.300 0.034 0.000 2.440 497 C HA -0.072 4.388 4.460 -0.001 0.000 0.278 497 C C 2.676 177.709 174.990 0.072 0.000 1.295 497 C CA 1.125 60.175 59.018 0.053 0.000 1.738 497 C CB -1.585 26.233 27.740 0.129 0.000 1.987 497 C HN 0.717 nan 8.230 nan 0.000 0.492 498 Q N 0.680 120.552 119.800 0.119 0.000 2.061 498 Q HA -0.274 4.065 4.340 -0.001 0.000 0.204 498 Q C 2.300 178.358 176.000 0.098 0.000 0.984 498 Q CA 2.173 58.043 55.803 0.111 0.000 0.846 498 Q CB -0.310 28.500 28.738 0.120 0.000 0.902 498 Q HN 0.656 nan 8.270 nan 0.000 0.421 499 M N -0.103 119.532 119.600 0.058 0.000 2.080 499 M HA -0.146 4.334 4.480 -0.001 0.000 0.260 499 M C 1.877 178.190 176.300 0.022 0.000 1.068 499 M CA 1.601 56.926 55.300 0.043 0.000 1.109 499 M CB -0.522 32.086 32.600 0.012 0.000 1.342 499 M HN 0.138 nan 8.290 nan 0.000 0.405 500 V N 0.224 120.115 119.914 -0.039 0.000 2.295 500 V HA -0.310 3.810 4.120 -0.001 0.000 0.246 500 V C 2.452 178.502 176.094 -0.074 0.000 1.049 500 V CA 2.234 64.453 62.300 -0.135 0.000 1.024 500 V CB -0.711 31.010 31.823 -0.169 0.000 0.648 500 V HN 0.564 nan 8.190 nan 0.000 0.447 501 M N 0.226 119.836 119.600 0.015 0.000 2.080 501 M HA -0.268 4.212 4.480 -0.001 0.000 0.260 501 M C 2.399 178.769 176.300 0.116 0.000 1.068 501 M CA 2.451 57.801 55.300 0.084 0.000 1.109 501 M CB -0.495 32.221 32.600 0.193 0.000 1.342 501 M HN 0.549 nan 8.290 nan 0.000 0.405 502 Q N -0.263 119.683 119.800 0.243 0.000 2.167 502 Q HA -0.138 4.201 4.340 -0.001 0.000 0.202 502 Q C 1.803 177.972 176.000 0.282 0.000 0.970 502 Q CA 1.177 57.140 55.803 0.267 0.000 0.855 502 Q CB -0.545 28.444 28.738 0.418 0.000 0.911 502 Q HN 0.416 nan 8.270 nan 0.000 0.438 503 Q N 0.490 120.440 119.800 0.249 0.000 2.119 503 Q HA -0.029 4.311 4.340 -0.001 0.000 0.201 503 Q C 2.264 178.503 176.000 0.399 0.000 0.972 503 Q CA 1.605 57.625 55.803 0.362 0.000 0.847 503 Q CB -0.157 28.715 28.738 0.224 0.000 0.903 503 Q HN 0.508 nan 8.270 nan 0.000 0.433 504 S N 0.383 116.208 115.700 0.208 0.000 2.356 504 S HA -0.097 4.372 4.470 -0.001 0.000 0.223 504 S C 2.202 176.847 174.600 0.076 0.000 1.032 504 S CA 1.118 59.480 58.200 0.271 0.000 1.005 504 S CB -0.239 63.045 63.200 0.140 0.000 0.867 504 S HN 0.133 nan 8.310 nan 0.000 0.449 505 V N 0.699 120.531 119.914 -0.137 0.000 2.287 505 V HA -0.199 3.921 4.120 -0.001 0.000 0.248 505 V C 1.996 178.065 176.094 -0.042 0.000 1.053 505 V CA 1.853 63.946 62.300 -0.345 0.000 1.027 505 V CB -0.774 30.433 31.823 -1.028 0.000 0.646 505 V HN 0.511 nan 8.190 nan 0.000 0.447 506 Y N 1.124 121.460 120.300 0.060 0.000 2.165 506 Y HA -0.260 4.290 4.550 -0.001 0.000 0.286 506 Y C 2.769 178.749 175.900 0.134 0.000 1.155 506 Y CA 2.264 60.492 58.100 0.212 0.000 1.164 506 Y CB -0.313 38.187 38.460 0.067 0.000 0.978 506 Y HN 0.103 nan 8.280 nan 0.000 0.513 507 R N -0.259 120.227 120.500 -0.023 0.000 2.090 507 R HA -0.088 4.252 4.340 -0.001 0.000 0.228 507 R C 2.112 178.123 176.300 -0.481 0.000 1.110 507 R CA 1.455 57.192 56.100 -0.605 0.000 0.973 507 R CB -0.358 29.539 30.300 -0.672 0.000 0.869 507 R HN 0.425 nan 8.270 nan 0.000 0.440 508 L N 0.360 121.424 121.223 -0.266 0.000 2.291 508 L HA -0.051 4.288 4.340 -0.001 0.000 0.214 508 L C 1.349 178.097 176.870 -0.202 0.000 1.120 508 L CA 0.747 55.391 54.840 -0.327 0.000 0.799 508 L CB 0.121 41.822 42.059 -0.596 0.000 0.925 508 L HN 0.236 nan 8.230 nan 0.000 0.446 509 L N -1.189 120.011 121.223 -0.039 0.000 3.066 509 L HA 0.234 4.573 4.340 -0.001 0.000 0.265 509 L C -0.253 176.681 176.870 0.106 0.000 1.232 509 L CA -0.089 54.815 54.840 0.106 0.000 1.031 509 L CB 0.520 42.795 42.059 0.359 0.000 1.379 509 L HN -0.014 nan 8.230 nan 0.000 0.563 510 T N 0.045 114.576 114.554 -0.039 0.000 2.841 510 T HA 0.189 4.539 4.350 -0.001 0.000 0.283 510 T C -0.168 174.452 174.700 -0.134 0.000 1.000 510 T CA -0.569 61.482 62.100 -0.083 0.000 0.977 510 T CB 2.474 71.218 68.868 -0.207 0.000 0.979 510 T HN 0.015 nan 8.240 nan 0.000 0.446 511 K N 3.910 124.243 120.400 -0.112 0.000 2.491 511 K HA -0.003 4.317 4.320 -0.001 0.000 0.279 511 K C -1.717 174.846 176.600 -0.061 0.000 1.026 511 K CA -1.145 55.089 56.287 -0.088 0.000 1.070 511 K CB 0.436 32.890 32.500 -0.075 0.000 0.887 511 K HN 0.176 nan 8.250 nan 0.000 0.481 512 P HA -0.274 nan 4.420 nan 0.000 0.217 512 P C 0.911 178.220 177.300 0.014 0.000 1.162 512 P CA 1.946 65.015 63.100 -0.050 0.000 0.901 512 P CB 0.089 31.758 31.700 -0.053 0.000 0.793 513 S N -2.199 113.501 115.700 0.001 0.000 2.547 513 S HA -0.019 4.451 4.470 -0.001 0.000 0.235 513 S C 1.718 176.328 174.600 0.018 0.000 0.980 513 S CA 0.750 58.956 58.200 0.010 0.000 0.941 513 S CB -1.192 62.006 63.200 -0.003 0.000 0.763 513 S HN 0.116 nan 8.310 nan 0.000 0.532 514 I N -1.004 119.582 120.570 0.026 0.000 3.616 514 I HA 0.201 4.370 4.170 -0.001 0.000 0.296 514 I C 0.594 176.749 176.117 0.062 0.000 1.226 514 I CA -0.411 60.908 61.300 0.032 0.000 1.394 514 I CB -0.093 37.917 38.000 0.018 0.000 1.171 514 I HN 0.241 nan 8.210 nan 0.000 0.442 515 Y N 3.028 123.273 120.300 -0.092 0.000 2.852 515 Y HA -0.084 4.465 4.550 -0.001 0.000 0.343 515 Y C 0.503 176.377 175.900 -0.044 0.000 1.280 515 Y CA 0.099 58.122 58.100 -0.130 0.000 1.604 515 Y CB 0.305 38.649 38.460 -0.193 0.000 1.216 515 Y HN -0.087 nan 8.280 nan 0.000 0.541 516 S N 8.963 124.448 115.700 -0.359 0.000 2.279 516 S HA 0.376 4.846 4.470 -0.001 0.000 0.176 516 S C -2.822 171.553 174.600 -0.375 0.000 1.554 516 S CA -1.247 56.750 58.200 -0.338 0.000 1.242 516 S CB -0.040 63.086 63.200 -0.124 0.000 1.163 516 S HN 0.665 nan 8.310 nan 0.000 0.449 517 P HA 0.336 nan 4.420 nan 0.000 0.275 517 P C -1.192 175.836 177.300 -0.453 0.000 1.227 517 P CA -0.141 62.677 63.100 -0.471 0.000 0.781 517 P CB 0.907 32.254 31.700 -0.588 0.000 0.906 518 D N 2.294 122.620 120.400 -0.124 0.000 2.461 518 D HA 0.158 4.798 4.640 -0.001 0.000 0.240 518 D C 0.330 176.648 176.300 0.029 0.000 1.094 518 D CA -0.746 53.172 54.000 -0.137 0.000 0.868 518 D CB 0.059 40.808 40.800 -0.085 0.000 1.062 518 D HN 0.020 nan 8.370 nan 0.000 0.530 519 F N 1.638 121.698 119.950 0.184 0.000 2.529 519 F HA -0.080 4.446 4.527 -0.000 0.000 0.297 519 F C 2.386 178.259 175.800 0.123 0.000 1.114 519 F CA 0.809 58.918 58.000 0.181 0.000 1.467 519 F CB -0.527 38.563 39.000 0.149 0.000 1.096 519 F HN 0.376 nan 8.300 nan 0.000 0.586 520 S N -2.084 113.754 115.700 0.230 0.000 2.523 520 S HA 0.128 4.597 4.470 -0.001 0.000 0.217 520 S C 0.332 174.977 174.600 0.074 0.000 0.996 520 S CA -0.439 57.841 58.200 0.134 0.000 0.921 520 S CB -0.602 62.658 63.200 0.099 0.000 0.829 520 S HN 0.089 nan 8.310 nan 0.000 0.495 521 F N 2.988 122.868 119.950 -0.118 0.000 2.375 521 F HA 0.583 5.109 4.527 -0.001 0.000 0.333 521 F C 0.013 175.584 175.800 -0.382 0.000 1.104 521 F CA -0.624 57.176 58.000 -0.333 0.000 1.149 521 F CB 1.483 40.123 39.000 -0.600 0.000 1.190 521 F HN -0.053 nan 8.300 nan 0.000 0.533 522 S N 5.912 120.827 115.700 -1.308 0.000 2.464 522 S HA 0.162 4.632 4.470 -0.001 0.000 0.313 522 S C 0.366 174.339 174.600 -1.045 0.000 1.078 522 S CA -0.344 57.347 58.200 -0.850 0.000 1.096 522 S CB -0.208 62.630 63.200 -0.603 0.000 1.032 522 S HN 0.670 nan 8.310 nan 0.000 0.498 523 Y N 1.578 121.616 120.300 -0.436 0.000 2.314 523 Y HA 0.143 4.693 4.550 -0.001 0.000 0.293 523 Y C 0.379 175.748 175.900 -0.884 0.000 1.129 523 Y CA 0.795 58.522 58.100 -0.622 0.000 1.201 523 Y CB 0.160 38.265 38.460 -0.592 0.000 0.999 523 Y HN 0.485 nan 8.280 nan 0.000 0.541 524 F N -1.890 118.007 119.950 -0.088 0.000 2.613 524 F HA 0.495 5.022 4.527 -0.000 0.000 0.314 524 F C -0.201 175.627 175.800 0.047 0.000 1.075 524 F CA -1.248 56.772 58.000 0.032 0.000 0.945 524 F CB 1.773 40.934 39.000 0.267 0.000 1.310 524 F HN -0.525 nan 8.300 nan 0.000 0.467 525 T N 2.686 117.412 114.554 0.286 0.000 2.841 525 T HA 0.535 4.884 4.350 -0.001 0.000 0.283 525 T C -0.443 174.345 174.700 0.146 0.000 1.000 525 T CA -0.605 61.585 62.100 0.150 0.000 0.977 525 T CB 1.185 70.096 68.868 0.072 0.000 0.979 525 T HN 0.322 nan 8.240 nan 0.000 0.446 526 L N 2.646 123.885 121.223 0.026 0.000 2.397 526 L HA 0.389 4.729 4.340 -0.001 0.000 0.271 526 L C 0.132 176.978 176.870 -0.040 0.000 1.148 526 L CA -0.232 54.524 54.840 -0.139 0.000 0.825 526 L CB 0.620 42.578 42.059 -0.168 0.000 1.117 526 L HN 0.655 nan 8.230 nan 0.000 0.456 527 D N 1.712 122.066 120.400 -0.077 0.000 2.481 527 D HA 0.213 4.853 4.640 -0.001 0.000 0.246 527 D C -1.252 174.964 176.300 -0.140 0.000 1.109 527 D CA -0.374 53.583 54.000 -0.072 0.000 0.845 527 D CB 1.158 41.932 40.800 -0.043 0.000 1.160 527 D HN 0.285 nan 8.370 nan 0.000 0.534 528 D N 2.084 122.431 120.400 -0.089 0.000 2.505 528 D HA 0.093 4.733 4.640 -0.001 0.000 0.250 528 D C 0.658 176.900 176.300 -0.097 0.000 1.164 528 D CA -0.332 53.639 54.000 -0.049 0.000 0.870 528 D CB 1.653 42.528 40.800 0.125 0.000 1.160 528 D HN 0.345 nan 8.370 nan 0.000 0.549 529 S N 3.283 118.892 115.700 -0.152 0.000 2.522 529 S HA 0.015 4.484 4.470 -0.001 0.000 0.227 529 S C 1.176 175.732 174.600 -0.074 0.000 0.986 529 S CA 0.292 58.394 58.200 -0.163 0.000 0.929 529 S CB 0.207 63.288 63.200 -0.198 0.000 0.769 529 S HN 0.474 nan 8.310 nan 0.000 0.529 530 R N -0.341 120.149 120.500 -0.016 0.000 2.508 530 R HA 0.313 4.653 4.340 -0.001 0.000 0.300 530 R C -0.719 175.660 176.300 0.132 0.000 0.970 530 R CA -0.210 55.910 56.100 0.032 0.000 1.102 530 R CB 0.505 30.820 30.300 0.026 0.000 1.246 530 R HN 0.543 nan 8.270 nan 0.000 0.539 531 W N 0.970 122.223 121.300 -0.079 0.000 3.615 531 W HA 0.254 4.914 4.660 -0.000 0.000 0.319 531 W C -2.957 173.519 176.519 -0.071 0.000 1.172 531 W CA -1.873 55.415 57.345 -0.096 0.000 1.240 531 W CB 1.572 30.954 29.460 -0.129 0.000 1.313 531 W HN -0.191 nan 8.180 nan 0.000 0.487 532 P HA 0.091 nan 4.420 nan 0.000 0.225 532 P C 0.407 177.333 177.300 -0.623 0.000 1.148 532 P CA 1.987 64.234 63.100 -1.422 0.000 0.779 532 P CB 0.259 31.387 31.700 -0.953 0.000 0.780 533 G N -1.040 107.577 108.800 -0.304 0.000 2.617 533 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.686 533 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.686 533 G C -0.447 174.393 174.900 -0.099 0.000 1.214 533 G CA -0.464 44.547 45.100 -0.149 0.000 0.796 533 G HN 0.111 nan 8.290 nan 0.000 0.654 534 S N 0.360 116.041 115.700 -0.030 0.000 2.498 534 S HA 0.541 5.010 4.470 -0.001 0.000 0.281 534 S C 1.763 176.360 174.600 -0.005 0.000 1.265 534 S CA 1.900 60.112 58.200 0.020 0.000 1.071 534 S CB 0.249 63.499 63.200 0.084 0.000 0.894 534 S HN 2.709 nan 8.310 nan 0.000 0.491 535 G N 2.919 111.712 108.800 -0.012 0.000 2.213 535 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.236 535 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.236 535 G C 0.581 175.451 174.900 -0.050 0.000 0.991 535 G CA 0.219 45.302 45.100 -0.028 0.000 0.629 535 G HN 0.868 nan 8.290 nan 0.000 0.517 536 V N -0.215 119.653 119.914 -0.078 0.000 2.690 536 V HA 0.467 4.587 4.120 -0.001 0.000 0.240 536 V C 0.761 176.790 176.094 -0.109 0.000 1.078 536 V CA 1.805 64.042 62.300 -0.105 0.000 1.102 536 V CB 1.019 32.743 31.823 -0.165 0.000 0.800 536 V HN 0.470 nan 8.190 nan 0.000 0.479 537 E N 0.217 120.348 120.200 -0.114 0.000 2.343 537 E HA 0.192 4.542 4.350 -0.001 0.000 0.286 537 E C -1.773 174.794 176.600 -0.056 0.000 0.915 537 E CA -0.438 55.907 56.400 -0.091 0.000 0.784 537 E CB 1.753 31.376 29.700 -0.129 0.000 1.251 537 E HN 0.245 nan 8.360 nan 0.000 0.407 538 D N 2.796 123.186 120.400 -0.017 0.000 2.558 538 D HA 0.104 4.743 4.640 -0.001 0.000 0.221 538 D C 0.434 176.747 176.300 0.021 0.000 1.143 538 D CA 0.205 54.218 54.000 0.022 0.000 1.010 538 D CB 0.348 41.167 40.800 0.032 0.000 1.068 538 D HN 0.317 nan 8.370 nan 0.000 0.511 539 S N 2.318 118.022 115.700 0.006 0.000 2.506 539 S HA 0.046 4.515 4.470 -0.001 0.000 0.219 539 S C 0.924 175.537 174.600 0.021 0.000 1.031 539 S CA -0.667 57.536 58.200 0.005 0.000 0.911 539 S CB -0.097 63.091 63.200 -0.021 0.000 0.812 539 S HN 0.450 nan 8.310 nan 0.000 0.497 540 R N 2.519 123.027 120.500 0.014 0.000 2.590 540 R HA 0.328 4.668 4.340 -0.001 0.000 0.274 540 R C 0.118 176.466 176.300 0.080 0.000 1.061 540 R CA 0.256 56.351 56.100 -0.008 0.000 1.081 540 R CB -0.450 29.744 30.300 -0.176 0.000 0.984 540 R HN 0.248 nan 8.270 nan 0.000 0.448 541 T N -0.243 114.360 114.554 0.082 0.000 2.910 541 T HA 0.176 4.525 4.350 -0.001 0.000 0.293 541 T C 0.040 174.856 174.700 0.193 0.000 1.015 541 T CA -0.620 61.553 62.100 0.121 0.000 1.094 541 T CB 1.413 70.337 68.868 0.094 0.000 0.968 541 T HN 0.570 nan 8.240 nan 0.000 0.521 542 T N 3.400 118.072 114.554 0.198 0.000 2.837 542 T HA 0.419 4.769 4.350 -0.001 0.000 0.285 542 T C 0.396 175.211 174.700 0.192 0.000 0.984 542 T CA -0.564 61.679 62.100 0.237 0.000 1.049 542 T CB 0.371 69.340 68.868 0.168 0.000 0.947 542 T HN 0.587 nan 8.240 nan 0.000 0.472 543 I N 3.832 124.535 120.570 0.221 0.000 2.421 543 I HA 0.197 4.367 4.170 -0.001 0.000 0.291 543 I C 0.158 176.368 176.117 0.156 0.000 1.089 543 I CA -0.105 61.303 61.300 0.181 0.000 1.354 543 I CB 0.247 38.358 38.000 0.185 0.000 1.413 543 I HN 0.452 nan 8.210 nan 0.000 0.513 544 I N 8.118 128.764 120.570 0.127 0.000 2.301 544 I HA 0.276 4.446 4.170 -0.001 0.000 0.292 544 I C -0.198 175.983 176.117 0.108 0.000 1.046 544 I CA -0.141 61.225 61.300 0.109 0.000 1.282 544 I CB 0.358 38.410 38.000 0.086 0.000 1.409 544 I HN 0.369 nan 8.210 nan 0.000 0.484 545 L N 6.036 127.326 121.223 0.112 0.000 2.354 545 L HA 0.915 5.255 4.340 -0.001 0.000 0.269 545 L C 0.131 177.059 176.870 0.098 0.000 1.005 545 L CA -0.635 54.269 54.840 0.107 0.000 0.819 545 L CB 2.154 44.283 42.059 0.116 0.000 1.311 545 L HN 0.678 nan 8.230 nan 0.000 0.423 546 G N 0.486 109.339 108.800 0.088 0.000 2.733 546 G HA2 0.236 4.196 3.960 -0.001 0.000 0.297 546 G HA3 0.236 4.196 3.960 -0.001 0.000 0.297 546 G C -0.190 174.751 174.900 0.069 0.000 1.452 546 G CA -0.425 44.723 45.100 0.079 0.000 0.940 546 G HN 0.676 nan 8.290 nan 0.000 0.547 547 E N 0.262 120.501 120.200 0.064 0.000 2.130 547 E HA -0.136 4.214 4.350 -0.001 0.000 0.196 547 E C 0.635 177.263 176.600 0.046 0.000 0.998 547 E CA 1.188 57.620 56.400 0.052 0.000 0.806 547 E CB 0.248 29.975 29.700 0.045 0.000 0.738 547 E HN 0.474 nan 8.360 nan 0.000 0.459 548 D N -0.524 119.904 120.400 0.045 0.000 2.336 548 D HA 0.072 4.712 4.640 -0.001 0.000 0.228 548 D C 0.997 177.322 176.300 0.042 0.000 1.120 548 D CA 0.241 54.265 54.000 0.040 0.000 0.839 548 D CB 0.785 41.606 40.800 0.035 0.000 0.932 548 D HN 0.159 nan 8.370 nan 0.000 0.509 549 I N -0.936 119.664 120.570 0.050 0.000 4.505 549 I HA 0.187 4.357 4.170 -0.001 0.000 0.294 549 I C -1.565 174.589 176.117 0.062 0.000 1.144 549 I CA 0.167 61.498 61.300 0.052 0.000 1.325 549 I CB 1.110 39.142 38.000 0.053 0.000 1.663 549 I HN -0.148 nan 8.210 nan 0.000 0.454 550 L N 2.454 123.719 121.223 0.071 0.000 2.830 550 L HA 0.518 4.857 4.340 -0.001 0.000 0.259 550 L C -2.470 174.453 176.870 0.088 0.000 0.943 550 L CA -0.747 54.143 54.840 0.083 0.000 0.997 550 L CB 1.761 43.877 42.059 0.095 0.000 1.427 550 L HN -0.097 nan 8.230 nan 0.000 0.456 551 P HA 0.051 nan 4.420 nan 0.000 0.227 551 P C -0.105 177.251 177.300 0.094 0.000 1.161 551 P CA 0.796 63.945 63.100 0.082 0.000 0.788 551 P CB 0.501 32.242 31.700 0.069 0.000 0.822 552 S N -1.907 113.861 115.700 0.113 0.000 2.625 552 S HA 0.724 5.193 4.470 -0.001 0.000 0.271 552 S C -1.259 173.449 174.600 0.180 0.000 1.161 552 S CA -0.711 57.567 58.200 0.130 0.000 0.820 552 S CB 2.529 65.801 63.200 0.121 0.000 1.137 552 S HN -0.083 nan 8.310 nan 0.000 0.470 553 K N 0.383 120.902 120.400 0.199 0.000 2.525 553 K HA 0.426 4.746 4.320 -0.001 0.000 0.254 553 K C -1.807 174.984 176.600 0.318 0.000 0.934 553 K CA -0.286 56.164 56.287 0.271 0.000 0.802 553 K CB 1.249 33.870 32.500 0.202 0.000 1.295 553 K HN 0.870 nan 8.250 nan 0.000 0.433 554 H N 2.064 121.281 119.070 0.246 0.000 2.502 554 H HA 0.483 5.038 4.556 -0.001 0.000 0.327 554 H C -0.280 175.279 175.328 0.386 0.000 1.099 554 H CA -0.712 55.523 56.048 0.313 0.000 1.323 554 H CB 1.427 31.450 29.762 0.435 0.000 1.450 554 H HN 0.451 nan 8.280 nan 0.000 0.502 555 V N 0.940 121.103 119.914 0.414 0.000 2.914 555 V HA 0.639 4.758 4.120 -0.001 0.000 0.314 555 V C -0.525 175.887 176.094 0.530 0.000 1.084 555 V CA -0.823 61.715 62.300 0.396 0.000 0.963 555 V CB 1.908 33.706 31.823 -0.041 0.000 1.025 555 V HN 0.411 nan 8.190 nan 0.000 0.432 556 V N 4.016 124.268 119.914 0.564 0.000 2.709 556 V HA 0.644 4.764 4.120 -0.001 0.000 0.308 556 V C -0.423 176.001 176.094 0.550 0.000 1.062 556 V CA -0.382 62.208 62.300 0.484 0.000 0.901 556 V CB 1.838 33.788 31.823 0.211 0.000 1.003 556 V HN 0.943 nan 8.190 nan 0.000 0.425 557 M N 4.023 123.915 119.600 0.487 0.000 2.436 557 M HA 0.505 4.984 4.480 -0.001 0.000 0.331 557 M C -0.548 175.992 176.300 0.400 0.000 1.135 557 M CA -0.254 55.308 55.300 0.436 0.000 0.987 557 M CB 1.292 34.097 32.600 0.342 0.000 1.687 557 M HN 0.774 nan 8.290 nan 0.000 0.445 558 H N 1.938 121.192 119.070 0.306 0.000 2.524 558 H HA 0.501 5.057 4.556 -0.001 0.000 0.353 558 H C -1.447 173.985 175.328 0.173 0.000 1.136 558 H CA -0.597 55.597 56.048 0.245 0.000 1.193 558 H CB 1.283 31.245 29.762 0.333 0.000 1.558 558 H HN 0.656 nan 8.280 nan 0.000 0.515 559 N N 3.072 121.462 118.700 -0.516 0.000 2.569 559 N HA 0.044 4.783 4.740 -0.001 0.000 0.254 559 N C 0.287 175.460 175.510 -0.562 0.000 1.004 559 N CA -0.303 52.500 53.050 -0.411 0.000 0.904 559 N CB 1.580 39.942 38.487 -0.208 0.000 1.165 559 N HN 0.635 nan 8.380 nan 0.000 0.513 560 T N 2.839 117.120 114.554 -0.454 0.000 3.035 560 T HA 0.157 4.507 4.350 -0.001 0.000 0.268 560 T C 0.680 175.355 174.700 -0.041 0.000 1.109 560 T CA 0.494 62.515 62.100 -0.132 0.000 1.119 560 T CB -0.236 68.686 68.868 0.089 0.000 0.900 560 T HN 0.415 nan 8.240 nan 0.000 0.503 561 L N 2.912 124.056 121.223 -0.132 0.000 2.397 561 L HA 0.293 4.633 4.340 -0.001 0.000 0.271 561 L C -1.498 175.240 176.870 -0.219 0.000 1.148 561 L CA -1.865 52.862 54.840 -0.189 0.000 0.825 561 L CB 0.759 42.580 42.059 -0.397 0.000 1.117 561 L HN -0.028 nan 8.230 nan 0.000 0.456 562 P HA -0.001 nan 4.420 nan 0.000 0.254 562 P C -0.826 176.500 177.300 0.044 0.000 1.631 562 P CA 0.514 63.614 63.100 0.000 0.000 0.861 562 P CB -0.392 31.364 31.700 0.093 0.000 1.663 563 H N -3.495 115.582 119.070 0.012 0.000 3.046 563 H HA 0.222 4.777 4.556 -0.001 0.000 0.361 563 H C -1.108 174.227 175.328 0.011 0.000 1.235 563 H CA -1.087 54.981 56.048 0.033 0.000 1.146 563 H CB -0.133 29.681 29.762 0.087 0.000 1.859 563 H HN -0.150 nan 8.280 nan 0.000 0.548 564 W N 1.717 123.119 121.300 0.169 0.000 2.231 564 W HA 0.256 4.916 4.660 -0.001 0.000 0.341 564 W C 0.855 177.471 176.519 0.161 0.000 1.298 564 W CA 0.464 57.870 57.345 0.102 0.000 1.266 564 W CB 0.455 29.952 29.460 0.062 0.000 1.172 564 W HN 0.510 nan 8.180 nan 0.000 0.568 565 R N 2.138 122.830 120.500 0.320 0.000 2.604 565 R HA 0.309 4.649 4.340 -0.001 0.000 0.281 565 R C -1.060 175.367 176.300 0.211 0.000 1.020 565 R CA -0.654 55.590 56.100 0.240 0.000 0.899 565 R CB 1.491 31.859 30.300 0.113 0.000 1.205 565 R HN 0.501 nan 8.270 nan 0.000 0.450 566 E N 2.246 122.548 120.200 0.170 0.000 2.207 566 E HA 0.298 4.648 4.350 -0.001 0.000 0.270 566 E C -1.355 175.291 176.600 0.076 0.000 0.927 566 E CA -0.834 55.645 56.400 0.133 0.000 0.799 566 E CB 2.520 32.292 29.700 0.120 0.000 1.172 566 E HN 0.414 nan 8.360 nan 0.000 0.404 567 Q N 2.669 122.490 119.800 0.036 0.000 2.503 567 Q HA 0.217 4.557 4.340 -0.001 0.000 0.268 567 Q C -1.718 174.240 176.000 -0.071 0.000 0.982 567 Q CA -0.526 55.271 55.803 -0.011 0.000 0.907 567 Q CB 1.310 30.035 28.738 -0.022 0.000 1.467 567 Q HN 0.556 nan 8.270 nan 0.000 0.394 568 L N 3.119 124.294 121.223 -0.079 0.000 2.416 568 L HA 0.440 4.780 4.340 -0.001 0.000 0.272 568 L C 0.169 176.905 176.870 -0.224 0.000 1.161 568 L CA -0.389 54.367 54.840 -0.140 0.000 0.845 568 L CB 0.860 42.874 42.059 -0.075 0.000 1.119 568 L HN 0.498 nan 8.230 nan 0.000 0.464 569 V N -0.580 119.096 119.914 -0.396 0.000 2.914 569 V HA 0.711 4.830 4.120 -0.001 0.000 0.314 569 V C -1.014 174.814 176.094 -0.443 0.000 1.084 569 V CA -0.850 61.183 62.300 -0.445 0.000 0.963 569 V CB 2.150 33.671 31.823 -0.503 0.000 1.025 569 V HN 0.789 nan 8.190 nan 0.000 0.432 570 D N 1.391 121.528 120.400 -0.439 0.000 2.601 570 D HA 0.654 5.294 4.640 -0.001 0.000 0.230 570 D C -1.417 174.587 176.300 -0.494 0.000 1.106 570 D CA -0.411 53.438 54.000 -0.252 0.000 0.873 570 D CB 2.483 43.216 40.800 -0.112 0.000 1.515 570 D HN 0.448 nan 8.370 nan 0.000 0.468 571 F N -0.249 119.739 119.950 0.064 0.000 2.599 571 F HA 0.341 4.868 4.527 -0.001 0.000 0.311 571 F C -0.701 175.233 175.800 0.223 0.000 1.076 571 F CA -1.026 57.025 58.000 0.085 0.000 0.937 571 F CB 1.593 40.696 39.000 0.170 0.000 1.282 571 F HN 0.151 nan 8.300 nan 0.000 0.460 572 Y N 2.171 122.632 120.300 0.267 0.000 2.316 572 Y HA 0.574 5.124 4.550 -0.001 0.000 0.331 572 Y C 0.140 176.163 175.900 0.206 0.000 1.083 572 Y CA -1.508 56.698 58.100 0.177 0.000 1.206 572 Y CB 1.036 39.554 38.460 0.098 0.000 1.195 572 Y HN 0.345 nan 8.280 nan 0.000 0.497 573 V N -0.220 119.902 119.914 0.347 0.000 2.914 573 V HA 0.540 4.660 4.120 -0.001 0.000 0.314 573 V C 0.428 176.668 176.094 0.245 0.000 1.084 573 V CA -0.754 61.710 62.300 0.272 0.000 0.963 573 V CB 1.694 33.671 31.823 0.257 0.000 1.025 573 V HN 0.685 nan 8.190 nan 0.000 0.432 574 S N 0.482 116.301 115.700 0.200 0.000 2.603 574 S HA 0.195 4.665 4.470 -0.001 0.000 0.220 574 S C 0.708 175.450 174.600 0.237 0.000 0.967 574 S CA 0.538 58.848 58.200 0.184 0.000 0.920 574 S CB -0.285 62.991 63.200 0.126 0.000 0.773 574 S HN 1.464 nan 8.310 nan 0.000 0.529 575 S N 1.163 116.991 115.700 0.213 0.000 2.541 575 S HA 0.551 5.021 4.470 -0.001 0.000 0.271 575 S C -2.581 171.925 174.600 -0.157 0.000 1.133 575 S CA -1.329 56.883 58.200 0.020 0.000 0.876 575 S CB 2.009 65.238 63.200 0.047 0.000 1.105 575 S HN 0.015 nan 8.310 nan 0.000 0.470 576 P HA 0.165 nan 4.420 nan 0.000 0.235 576 P C 0.034 177.194 177.300 -0.234 0.000 1.177 576 P CA 0.370 63.115 63.100 -0.593 0.000 0.785 576 P CB -0.134 30.906 31.700 -1.099 0.000 0.885 577 F N 1.027 120.992 119.950 0.024 0.000 2.573 577 F HA 0.245 4.771 4.527 -0.001 0.000 0.349 577 F C 0.369 176.217 175.800 0.079 0.000 1.213 577 F CA -0.791 57.256 58.000 0.079 0.000 1.300 577 F CB 0.230 39.239 39.000 0.016 0.000 1.661 577 F HN -0.335 nan 8.300 nan 0.000 0.616 578 V N 0.964 121.012 119.914 0.223 0.000 2.656 578 V HA 0.531 4.651 4.120 -0.001 0.000 0.307 578 V C -0.292 175.869 176.094 0.113 0.000 1.051 578 V CA -0.832 61.559 62.300 0.151 0.000 0.893 578 V CB 2.215 34.119 31.823 0.135 0.000 0.999 578 V HN 0.496 nan 8.190 nan 0.000 0.426 579 S N 2.972 118.720 115.700 0.081 0.000 2.566 579 S HA 0.901 5.371 4.470 -0.001 0.000 0.298 579 S C -0.917 173.671 174.600 -0.020 0.000 1.083 579 S CA -0.777 57.452 58.200 0.048 0.000 0.978 579 S CB 2.065 65.308 63.200 0.073 0.000 1.073 579 S HN 0.456 nan 8.310 nan 0.000 0.491 580 V N 1.771 121.637 119.914 -0.079 0.000 2.715 580 V HA 0.868 4.988 4.120 -0.001 0.000 0.310 580 V C 0.108 176.113 176.094 -0.149 0.000 1.054 580 V CA -0.427 61.747 62.300 -0.209 0.000 0.928 580 V CB 1.651 33.161 31.823 -0.522 0.000 1.007 580 V HN 1.242 nan 8.190 nan 0.000 0.437 581 T N -0.778 113.700 114.554 -0.127 0.000 2.883 581 T HA 0.636 4.986 4.350 -0.001 0.000 0.301 581 T C -1.015 173.643 174.700 -0.071 0.000 1.158 581 T CA -0.906 61.142 62.100 -0.087 0.000 1.007 581 T CB 2.119 70.929 68.868 -0.096 0.000 1.186 581 T HN 0.710 nan 8.240 nan 0.000 0.499 582 D N 0.639 120.960 120.400 -0.131 0.000 2.506 582 D HA 0.294 4.934 4.640 -0.001 0.000 0.272 582 D C 1.235 177.369 176.300 -0.276 0.000 1.214 582 D CA -1.188 52.603 54.000 -0.348 0.000 1.067 582 D CB 0.239 40.838 40.800 -0.334 0.000 1.117 582 D HN 0.393 nan 8.370 nan 0.000 0.578 583 L N -0.563 120.483 121.223 -0.296 0.000 2.362 583 L HA 0.145 4.485 4.340 -0.001 0.000 0.219 583 L C 1.844 178.624 176.870 -0.150 0.000 1.134 583 L CA 1.415 56.129 54.840 -0.210 0.000 0.807 583 L CB -0.711 41.233 42.059 -0.191 0.000 0.927 583 L HN 0.590 nan 8.230 nan 0.000 0.447 584 A N -1.076 121.661 122.820 -0.138 0.000 2.302 584 A HA 0.091 4.411 4.320 -0.001 0.000 0.219 584 A C 1.100 178.630 177.584 -0.090 0.000 1.243 584 A CA 0.304 52.281 52.037 -0.100 0.000 0.856 584 A CB -0.569 18.378 19.000 -0.088 0.000 0.893 584 A HN 0.555 nan 8.150 nan 0.000 0.491 585 N N 0.144 118.783 118.700 -0.103 0.000 2.741 585 N HA -0.133 4.607 4.740 -0.001 0.000 0.250 585 N C -1.025 174.434 175.510 -0.084 0.000 1.115 585 N CA 0.675 53.673 53.050 -0.087 0.000 0.724 585 N CB -1.493 36.956 38.487 -0.064 0.000 1.090 585 N HN 0.594 nan 8.380 nan 0.000 0.558 586 N N 1.506 120.151 118.700 -0.092 0.000 2.488 586 N HA 0.258 4.998 4.740 -0.001 0.000 0.274 586 N C -2.300 173.139 175.510 -0.119 0.000 1.111 586 N CA -0.710 52.283 53.050 -0.095 0.000 0.974 586 N CB 0.781 39.221 38.487 -0.078 0.000 1.089 586 N HN 0.251 nan 8.380 nan 0.000 0.465 587 P HA 0.095 nan 4.420 nan 0.000 0.271 587 P C -0.581 176.589 177.300 -0.217 0.000 1.218 587 P CA -0.182 62.756 63.100 -0.271 0.000 0.780 587 P CB 0.980 32.311 31.700 -0.615 0.000 0.901 588 V N 2.328 122.163 119.914 -0.131 0.000 2.540 588 V HA 0.220 4.340 4.120 -0.001 0.000 0.302 588 V C 0.552 176.652 176.094 0.009 0.000 1.035 588 V CA -0.844 61.437 62.300 -0.033 0.000 0.873 588 V CB 1.441 33.265 31.823 0.002 0.000 0.992 588 V HN 0.580 nan 8.190 nan 0.000 0.428 589 E N 2.750 122.991 120.200 0.069 0.000 2.417 589 E HA 0.423 4.773 4.350 -0.001 0.000 0.261 589 E C -0.209 176.467 176.600 0.127 0.000 1.000 589 E CA 0.075 56.545 56.400 0.118 0.000 0.919 589 E CB 0.835 30.605 29.700 0.117 0.000 0.955 589 E HN 0.871 nan 8.360 nan 0.000 0.455 590 A N 4.475 127.357 122.820 0.104 0.000 2.469 590 A HA 0.426 4.746 4.320 -0.001 0.000 0.299 590 A C -1.181 176.423 177.584 0.034 0.000 1.098 590 A CA -0.689 51.417 52.037 0.115 0.000 0.737 590 A CB 1.929 20.993 19.000 0.107 0.000 1.312 590 A HN 0.659 nan 8.150 nan 0.000 0.414 591 Q N 0.973 120.803 119.800 0.050 0.000 2.337 591 Q HA 0.637 4.977 4.340 -0.001 0.000 0.270 591 Q C -2.030 173.977 176.000 0.011 0.000 1.043 591 Q CA -0.514 55.281 55.803 -0.013 0.000 0.794 591 Q CB 2.124 30.889 28.738 0.045 0.000 1.281 591 Q HN 0.564 nan 8.270 nan 0.000 0.446 592 V N 2.693 122.555 119.914 -0.087 0.000 2.513 592 V HA 0.604 4.724 4.120 -0.001 0.000 0.299 592 V C -0.558 175.728 176.094 0.321 0.000 1.035 592 V CA -0.282 62.076 62.300 0.097 0.000 0.889 592 V CB 1.885 33.733 31.823 0.040 0.000 0.988 592 V HN 0.872 nan 8.190 nan 0.000 0.440 593 S N 4.978 120.891 115.700 0.355 0.000 2.632 593 S HA 0.699 5.169 4.470 -0.001 0.000 0.289 593 S C -2.815 171.853 174.600 0.112 0.000 1.115 593 S CA -1.207 57.184 58.200 0.317 0.000 0.889 593 S CB 2.424 65.760 63.200 0.226 0.000 1.116 593 S HN 0.522 nan 8.310 nan 0.000 0.486 594 P HA 0.330 nan 4.420 nan 0.000 0.276 594 P C -1.220 175.748 177.300 -0.552 0.000 1.261 594 P CA -0.548 62.160 63.100 -0.654 0.000 0.800 594 P CB 0.421 31.345 31.700 -1.294 0.000 1.066 595 V N 1.469 120.971 119.914 -0.686 0.000 2.333 595 V HA 0.228 4.348 4.120 -0.001 0.000 0.274 595 V C -0.728 175.061 176.094 -0.508 0.000 1.028 595 V CA -0.234 61.774 62.300 -0.487 0.000 0.851 595 V CB -0.210 31.244 31.823 -0.615 0.000 1.000 595 V HN 0.516 nan 8.190 nan 0.000 0.456 596 W N 3.483 124.694 121.300 -0.149 0.000 2.433 596 W HA 0.639 5.299 4.660 -0.001 0.000 0.315 596 W C 0.406 176.844 176.519 -0.135 0.000 1.087 596 W CA -0.416 56.823 57.345 -0.176 0.000 1.205 596 W CB 1.811 31.168 29.460 -0.172 0.000 1.288 596 W HN 0.560 nan 8.180 nan 0.000 0.504 597 S N 1.644 117.365 115.700 0.036 0.000 2.521 597 S HA 0.593 5.062 4.470 -0.001 0.000 0.295 597 S C -1.334 173.067 174.600 -0.332 0.000 1.098 597 S CA -0.953 57.208 58.200 -0.065 0.000 0.999 597 S CB 0.980 64.137 63.200 -0.072 0.000 1.034 597 S HN 0.401 nan 8.310 nan 0.000 0.483 598 W N 1.892 122.963 121.300 -0.381 0.000 2.381 598 W HA 0.553 5.213 4.660 -0.000 0.000 0.329 598 W C 0.490 176.593 176.519 -0.694 0.000 1.157 598 W CA -0.153 56.952 57.345 -0.399 0.000 1.240 598 W CB 0.751 30.078 29.460 -0.222 0.000 1.199 598 W HN 0.627 nan 8.180 nan 0.000 0.579 599 H N 1.573 120.652 119.070 0.013 0.000 2.759 599 H HA 0.081 4.637 4.556 -0.001 0.000 0.354 599 H C -0.838 174.533 175.328 0.072 0.000 1.074 599 H CA -0.852 55.197 56.048 0.002 0.000 1.226 599 H CB 1.687 31.386 29.762 -0.105 0.000 1.648 599 H HN 0.346 nan 8.280 nan 0.000 0.529 600 H N 2.988 122.147 119.070 0.149 0.000 3.015 600 H HA -0.012 4.543 4.556 -0.001 0.000 0.268 600 H C -0.422 174.992 175.328 0.143 0.000 1.113 600 H CA -0.056 56.071 56.048 0.131 0.000 1.479 600 H CB 0.069 29.883 29.762 0.087 0.000 1.493 600 H HN 0.534 nan 8.280 nan 0.000 0.486 601 D N 3.956 124.634 120.400 0.463 0.000 2.348 601 D HA -0.026 4.614 4.640 -0.001 0.000 0.259 601 D C 0.710 177.208 176.300 0.331 0.000 1.296 601 D CA 0.084 54.306 54.000 0.371 0.000 0.931 601 D CB 0.699 41.733 40.800 0.390 0.000 1.067 601 D HN 0.591 nan 8.370 nan 0.000 0.503 602 T N 4.176 118.840 114.554 0.182 0.000 2.803 602 T HA -0.132 4.217 4.350 -0.001 0.000 0.269 602 T C 1.835 176.584 174.700 0.081 0.000 1.052 602 T CA 0.415 62.559 62.100 0.073 0.000 1.136 602 T CB 0.282 69.151 68.868 0.001 0.000 0.864 602 T HN 0.367 nan 8.240 nan 0.000 0.467 603 L N 1.450 122.722 121.223 0.083 0.000 2.013 603 L HA -0.011 4.329 4.340 -0.001 0.000 0.204 603 L C 3.099 180.005 176.870 0.060 0.000 1.081 603 L CA 2.294 57.167 54.840 0.056 0.000 0.751 603 L CB -2.064 40.019 42.059 0.040 0.000 0.901 603 L HN 0.411 nan 8.230 nan 0.000 0.440 604 T N -3.117 111.474 114.554 0.062 0.000 3.007 604 T HA -0.120 4.229 4.350 -0.001 0.000 0.270 604 T C 0.815 175.554 174.700 0.065 0.000 1.107 604 T CA 0.238 62.362 62.100 0.039 0.000 1.118 604 T CB -0.058 68.807 68.868 -0.006 0.000 0.889 604 T HN 0.175 nan 8.240 nan 0.000 0.506 605 K N 1.915 122.390 120.400 0.125 0.000 3.161 605 K HA -0.116 4.204 4.320 -0.001 0.000 0.270 605 K C 0.114 176.764 176.600 0.083 0.000 1.115 605 K CA 1.237 57.619 56.287 0.158 0.000 0.789 605 K CB -2.775 29.791 32.500 0.110 0.000 1.256 605 K HN 0.913 nan 8.250 nan 0.000 0.492 606 T N -2.845 111.758 114.554 0.082 0.000 2.896 606 T HA 0.807 5.157 4.350 -0.001 0.000 0.297 606 T C 0.195 174.950 174.700 0.091 0.000 1.108 606 T CA -1.047 61.080 62.100 0.045 0.000 1.004 606 T CB 2.290 71.191 68.868 0.056 0.000 1.159 606 T HN 0.132 nan 8.240 nan 0.000 0.499 607 I N 4.039 124.658 120.570 0.081 0.000 2.354 607 I HA 0.424 4.593 4.170 -0.001 0.000 0.286 607 I C -0.013 176.324 176.117 0.367 0.000 1.007 607 I CA -0.782 60.612 61.300 0.157 0.000 1.167 607 I CB 0.590 38.611 38.000 0.035 0.000 1.320 607 I HN 0.770 nan 8.210 nan 0.000 0.458 608 H N 6.606 125.776 119.070 0.168 0.000 2.946 608 H HA 0.629 5.185 4.556 -0.001 0.000 0.365 608 H C -3.278 171.836 175.328 -0.357 0.000 1.197 608 H CA -2.830 53.187 56.048 -0.053 0.000 1.131 608 H CB 1.886 31.623 29.762 -0.041 0.000 1.849 608 H HN 0.176 nan 8.280 nan 0.000 0.555 609 P HA 0.278 nan 4.420 nan 0.000 0.284 609 P C -0.874 176.281 177.300 -0.241 0.000 1.258 609 P CA -0.567 61.951 63.100 -0.970 0.000 0.824 609 P CB 2.105 32.913 31.700 -1.487 0.000 1.038 610 Q N 0.315 120.090 119.800 -0.042 0.000 2.353 610 Q HA 0.607 4.947 4.340 -0.001 0.000 0.268 610 Q C -0.003 176.039 176.000 0.071 0.000 1.045 610 Q CA -0.814 55.051 55.803 0.102 0.000 0.811 610 Q CB 2.543 31.341 28.738 0.100 0.000 1.305 610 Q HN 0.556 nan 8.270 nan 0.000 0.447 611 G N 0.609 109.335 108.800 -0.124 0.000 2.410 611 G HA2 0.366 4.326 3.960 -0.001 0.000 0.330 611 G HA3 0.366 4.326 3.960 -0.001 0.000 0.330 611 G C -0.628 173.999 174.900 -0.455 0.000 1.142 611 G CA -0.345 44.368 45.100 -0.644 0.000 0.902 611 G HN 0.411 nan 8.290 nan 0.000 0.491 612 S N -0.944 114.418 115.700 -0.562 0.000 2.584 612 S HA 0.400 4.870 4.470 -0.001 0.000 0.273 612 S C 1.440 175.754 174.600 -0.477 0.000 1.311 612 S CA 0.196 58.113 58.200 -0.472 0.000 1.034 612 S CB 0.882 63.745 63.200 -0.561 0.000 0.939 612 S HN 0.922 nan 8.310 nan 0.000 0.513 613 T N -0.489 113.874 114.554 -0.318 0.000 3.085 613 T HA 0.202 4.551 4.350 -0.001 0.000 0.264 613 T C 0.814 175.435 174.700 -0.132 0.000 1.019 613 T CA 0.390 62.380 62.100 -0.182 0.000 0.910 613 T CB -0.169 68.649 68.868 -0.083 0.000 1.059 613 T HN 0.699 nan 8.240 nan 0.000 0.542 614 T N -2.204 112.177 114.554 -0.289 0.000 3.326 614 T HA 0.364 4.714 4.350 -0.001 0.000 0.302 614 T C -0.180 174.363 174.700 -0.262 0.000 0.908 614 T CA -0.602 61.411 62.100 -0.144 0.000 0.933 614 T CB 0.188 69.012 68.868 -0.074 0.000 1.194 614 T HN 0.365 nan 8.240 nan 0.000 0.585 615 K N 0.473 120.464 120.400 -0.682 0.000 2.482 615 K HA 0.619 4.939 4.320 -0.001 0.000 0.251 615 K C -2.019 173.964 176.600 -1.028 0.000 0.936 615 K CA -0.703 55.227 56.287 -0.595 0.000 0.791 615 K CB 1.854 34.055 32.500 -0.498 0.000 1.213 615 K HN 0.179 nan 8.250 nan 0.000 0.428 616 Y N 0.864 121.090 120.300 -0.124 0.000 2.581 616 Y HA 0.481 5.030 4.550 -0.001 0.000 0.345 616 Y C -0.279 175.657 175.900 0.060 0.000 1.036 616 Y CA -1.093 56.968 58.100 -0.065 0.000 1.042 616 Y CB 1.857 40.337 38.460 0.033 0.000 1.289 616 Y HN 0.342 nan 8.280 nan 0.000 0.471 617 R N 1.808 122.461 120.500 0.255 0.000 2.294 617 R HA 0.605 4.945 4.340 -0.001 0.000 0.319 617 R C -1.299 175.177 176.300 0.294 0.000 0.984 617 R CA -0.662 55.628 56.100 0.318 0.000 0.861 617 R CB 1.812 32.273 30.300 0.270 0.000 1.104 617 R HN 0.660 nan 8.270 nan 0.000 0.451 618 I N 3.971 124.731 120.570 0.317 0.000 2.404 618 I HA 0.444 4.613 4.170 -0.001 0.000 0.293 618 I C -1.101 175.197 176.117 0.303 0.000 0.992 618 I CA -0.797 60.678 61.300 0.292 0.000 1.149 618 I CB 1.071 39.259 38.000 0.313 0.000 1.315 618 I HN 0.544 nan 8.210 nan 0.000 0.446 619 I N 8.070 128.785 120.570 0.243 0.000 2.545 619 I HA 0.551 4.721 4.170 -0.001 0.000 0.292 619 I C -1.020 175.242 176.117 0.242 0.000 1.040 619 I CA -0.552 60.843 61.300 0.157 0.000 1.068 619 I CB 1.769 39.819 38.000 0.083 0.000 1.251 619 I HN 0.542 nan 8.210 nan 0.000 0.424 620 F N 2.672 122.649 119.950 0.046 0.000 2.693 620 F HA 0.576 5.103 4.527 -0.001 0.000 0.309 620 F C -1.118 174.665 175.800 -0.027 0.000 1.129 620 F CA -1.273 56.731 58.000 0.007 0.000 0.948 620 F CB 1.286 40.279 39.000 -0.012 0.000 1.315 620 F HN 0.253 nan 8.300 nan 0.000 0.447 621 K N 1.999 122.492 120.400 0.155 0.000 2.258 621 K HA 0.763 5.083 4.320 -0.001 0.000 0.284 621 K C -0.887 175.767 176.600 0.090 0.000 1.051 621 K CA -0.371 55.945 56.287 0.047 0.000 0.923 621 K CB 1.065 33.621 32.500 0.094 0.000 1.046 621 K HN 0.966 nan 8.250 nan 0.000 0.474 622 A N 4.733 127.523 122.820 -0.049 0.000 2.304 622 A HA 0.403 4.722 4.320 -0.001 0.000 0.323 622 A C -0.773 176.936 177.584 0.209 0.000 1.195 622 A CA -0.784 51.266 52.037 0.021 0.000 0.826 622 A CB 0.742 19.695 19.000 -0.078 0.000 1.184 622 A HN 0.881 nan 8.150 nan 0.000 0.496 623 R N 2.510 123.244 120.500 0.390 0.000 2.265 623 R HA 0.584 4.923 4.340 -0.001 0.000 0.328 623 R C -1.611 174.947 176.300 0.429 0.000 0.969 623 R CA -0.186 56.138 56.100 0.373 0.000 0.832 623 R CB 0.917 31.418 30.300 0.336 0.000 1.139 623 R HN 0.489 nan 8.270 nan 0.000 0.457 624 V N 6.182 126.296 119.914 0.334 0.000 2.604 624 V HA 0.476 4.595 4.120 -0.001 0.000 0.305 624 V C -2.224 173.759 176.094 -0.185 0.000 1.043 624 V CA -2.487 59.902 62.300 0.148 0.000 0.888 624 V CB 1.768 33.644 31.823 0.088 0.000 0.995 624 V HN 0.782 nan 8.190 nan 0.000 0.429 625 P HA 0.233 nan 4.420 nan 0.000 0.271 625 P C -2.741 174.057 177.300 -0.838 0.000 1.233 625 P CA -1.369 60.828 63.100 -1.505 0.000 0.789 625 P CB -0.221 30.807 31.700 -1.121 0.000 0.951 626 P HA 0.106 nan 4.420 nan 0.000 0.267 626 P C 0.080 177.319 177.300 -0.102 0.000 1.205 626 P CA 0.542 63.438 63.100 -0.341 0.000 0.765 626 P CB -0.197 31.376 31.700 -0.212 0.000 0.828 627 M N 0.474 120.063 119.600 -0.017 0.000 2.169 627 M HA -0.222 4.258 4.480 -0.001 0.000 0.196 627 M C 0.593 177.069 176.300 0.292 0.000 0.355 627 M CA 0.942 56.371 55.300 0.214 0.000 0.396 627 M CB -1.981 30.858 32.600 0.400 0.000 1.125 627 M HN 0.594 nan 8.290 nan 0.000 0.939 628 G N -0.297 108.523 108.800 0.034 0.000 3.135 628 G HA2 0.931 4.890 3.960 -0.001 0.000 0.278 628 G HA3 0.931 4.890 3.960 -0.001 0.000 0.278 628 G C -1.335 173.677 174.900 0.188 0.000 1.302 628 G CA -0.993 44.128 45.100 0.035 0.000 0.880 628 G HN 0.198 nan 8.290 nan 0.000 0.574 629 L N -0.498 120.824 121.223 0.165 0.000 2.371 629 L HA 0.813 5.152 4.340 -0.001 0.000 0.262 629 L C -0.276 176.676 176.870 0.137 0.000 1.006 629 L CA -1.065 53.894 54.840 0.199 0.000 0.818 629 L CB 2.466 44.652 42.059 0.213 0.000 1.354 629 L HN 0.760 nan 8.230 nan 0.000 0.415 630 A N 0.684 123.626 122.820 0.203 0.000 2.427 630 A HA 0.801 5.120 4.320 -0.001 0.000 0.298 630 A C -0.785 176.944 177.584 0.243 0.000 1.036 630 A CA -0.443 51.707 52.037 0.189 0.000 0.701 630 A CB 1.715 20.892 19.000 0.296 0.000 1.250 630 A HN 0.565 nan 8.150 nan 0.000 0.412 631 T N 2.088 116.679 114.554 0.061 0.000 2.829 631 T HA 0.653 5.003 4.350 -0.001 0.000 0.282 631 T C -1.080 173.515 174.700 -0.176 0.000 0.990 631 T CA 0.220 62.389 62.100 0.115 0.000 1.028 631 T CB 0.390 69.321 68.868 0.105 0.000 0.951 631 T HN 0.439 nan 8.240 nan 0.000 0.460 632 Y N 0.326 120.679 120.300 0.089 0.000 2.605 632 Y HA 0.662 5.211 4.550 -0.001 0.000 0.343 632 Y C -0.362 175.431 175.900 -0.178 0.000 1.036 632 Y CA -1.119 56.951 58.100 -0.051 0.000 1.065 632 Y CB 1.787 40.240 38.460 -0.012 0.000 1.288 632 Y HN 0.316 nan 8.280 nan 0.000 0.481 633 V N 3.172 123.022 119.914 -0.106 0.000 2.588 633 V HA 0.454 4.573 4.120 -0.001 0.000 0.304 633 V C -0.816 175.213 176.094 -0.109 0.000 1.042 633 V CA -0.972 61.216 62.300 -0.186 0.000 0.877 633 V CB 1.836 33.486 31.823 -0.289 0.000 0.996 633 V HN 0.502 nan 8.190 nan 0.000 0.425 634 L N 3.903 125.096 121.223 -0.049 0.000 2.287 634 L HA 0.667 5.007 4.340 -0.001 0.000 0.287 634 L C -0.110 176.779 176.870 0.032 0.000 1.022 634 L CA -0.122 54.704 54.840 -0.023 0.000 0.814 634 L CB 1.808 43.866 42.059 -0.001 0.000 1.217 634 L HN 0.625 nan 8.230 nan 0.000 0.420 635 T N 3.702 118.276 114.554 0.034 0.000 2.841 635 T HA 0.491 4.840 4.350 -0.001 0.000 0.283 635 T C -0.259 174.490 174.700 0.081 0.000 1.000 635 T CA -0.391 61.744 62.100 0.058 0.000 0.977 635 T CB 2.439 71.331 68.868 0.041 0.000 0.979 635 T HN 0.377 nan 8.240 nan 0.000 0.446 636 I N 2.903 123.529 120.570 0.094 0.000 2.577 636 I HA 0.591 4.760 4.170 -0.001 0.000 0.300 636 I C 0.106 176.285 176.117 0.105 0.000 0.990 636 I CA -0.009 61.361 61.300 0.117 0.000 1.283 636 I CB 0.886 38.958 38.000 0.120 0.000 1.411 636 I HN 0.837 nan 8.210 nan 0.000 0.515 637 S N 2.376 118.154 115.700 0.130 0.000 2.661 637 S HA 0.332 4.802 4.470 -0.001 0.000 0.285 637 S C -0.101 174.528 174.600 0.047 0.000 1.138 637 S CA -0.356 57.886 58.200 0.069 0.000 0.855 637 S CB 1.569 64.795 63.200 0.043 0.000 1.136 637 S HN 0.752 nan 8.310 nan 0.000 0.484 638 D N 0.317 120.679 120.400 -0.064 0.000 2.323 638 D HA 0.127 4.767 4.640 -0.001 0.000 0.209 638 D C 0.877 176.844 176.300 -0.554 0.000 0.973 638 D CA 0.723 54.631 54.000 -0.153 0.000 0.874 638 D CB 0.034 40.768 40.800 -0.111 0.000 0.930 638 D HN 0.642 nan 8.370 nan 0.000 0.521 639 S N -1.492 113.848 115.700 -0.599 0.000 2.704 639 S HA 0.419 4.889 4.470 -0.001 0.000 0.296 639 S C -0.644 173.605 174.600 -0.586 0.000 1.138 639 S CA -1.280 56.374 58.200 -0.911 0.000 0.875 639 S CB 1.250 64.180 63.200 -0.450 0.000 1.151 639 S HN -0.008 nan 8.310 nan 0.000 0.500 640 K N 2.484 122.664 120.400 -0.367 0.000 2.430 640 K HA 0.185 4.505 4.320 -0.001 0.000 0.280 640 K C -2.110 174.544 176.600 0.091 0.000 1.063 640 K CA -0.718 55.645 56.287 0.127 0.000 1.071 640 K CB -0.359 32.240 32.500 0.166 0.000 0.899 640 K HN 0.474 nan 8.250 nan 0.000 0.473 641 P HA -0.023 nan 4.420 nan 0.000 0.274 641 P C 0.297 177.623 177.300 0.042 0.000 1.231 641 P CA -0.176 62.975 63.100 0.085 0.000 0.790 641 P CB 1.043 32.813 31.700 0.116 0.000 0.951 642 E N 1.437 121.620 120.200 -0.028 0.000 2.097 642 E HA -0.228 4.121 4.350 -0.001 0.000 0.196 642 E C 0.678 177.094 176.600 -0.306 0.000 1.000 642 E CA 1.178 57.467 56.400 -0.185 0.000 0.804 642 E CB -0.139 29.387 29.700 -0.290 0.000 0.740 642 E HN 0.490 nan 8.360 nan 0.000 0.454 643 H N -0.419 118.663 119.070 0.020 0.000 2.537 643 H HA 0.209 4.764 4.556 -0.001 0.000 0.295 643 H C -0.445 174.880 175.328 -0.006 0.000 1.054 643 H CA 0.297 56.352 56.048 0.011 0.000 1.156 643 H CB 0.460 30.227 29.762 0.008 0.000 1.468 643 H HN -0.036 nan 8.280 nan 0.000 0.551 644 T N 1.287 115.856 114.554 0.026 0.000 2.840 644 T HA 0.280 4.630 4.350 -0.001 0.000 0.287 644 T C 0.238 174.808 174.700 -0.217 0.000 0.991 644 T CA -0.744 61.306 62.100 -0.083 0.000 0.964 644 T CB 2.128 70.942 68.868 -0.090 0.000 0.954 644 T HN 0.285 nan 8.240 nan 0.000 0.438 645 S N 2.425 117.964 115.700 -0.269 0.000 2.718 645 S HA 0.793 5.262 4.470 -0.001 0.000 0.300 645 S C -1.330 172.940 174.600 -0.551 0.000 1.117 645 S CA -0.782 57.276 58.200 -0.237 0.000 1.002 645 S CB 0.850 64.020 63.200 -0.050 0.000 1.092 645 S HN 0.569 nan 8.310 nan 0.000 0.542 646 Y N -0.036 120.277 120.300 0.020 0.000 2.391 646 Y HA 0.653 5.203 4.550 -0.001 0.000 0.341 646 Y C 0.573 176.530 175.900 0.094 0.000 0.965 646 Y CA -0.811 57.293 58.100 0.006 0.000 1.067 646 Y CB 1.634 39.969 38.460 -0.209 0.000 1.199 646 Y HN 1.032 nan 8.280 nan 0.000 0.450 647 A N 2.003 125.014 122.820 0.318 0.000 2.386 647 A HA 0.519 4.839 4.320 -0.001 0.000 0.248 647 A C 0.250 178.034 177.584 0.332 0.000 1.082 647 A CA -0.298 51.910 52.037 0.285 0.000 0.789 647 A CB -0.037 19.126 19.000 0.272 0.000 1.025 647 A HN 0.764 nan 8.150 nan 0.000 0.490 648 S N 1.827 117.657 115.700 0.217 0.000 2.646 648 S HA 0.595 5.065 4.470 -0.001 0.000 0.276 648 S C -0.415 174.279 174.600 0.157 0.000 1.222 648 S CA -0.936 57.376 58.200 0.187 0.000 1.014 648 S CB 0.896 64.163 63.200 0.110 0.000 0.991 648 S HN 0.686 nan 8.310 nan 0.000 0.533 649 N N 0.470 119.241 118.700 0.118 0.000 2.310 649 N HA 0.481 5.220 4.740 -0.001 0.000 0.292 649 N C -2.023 173.422 175.510 -0.108 0.000 1.049 649 N CA -0.519 52.549 53.050 0.030 0.000 0.849 649 N CB 2.049 40.641 38.487 0.174 0.000 1.532 649 N HN 0.569 nan 8.380 nan 0.000 0.479 650 L N 2.719 123.830 121.223 -0.188 0.000 2.372 650 L HA 0.462 4.801 4.340 -0.001 0.000 0.274 650 L C -1.423 175.272 176.870 -0.292 0.000 0.988 650 L CA -0.597 54.104 54.840 -0.231 0.000 0.833 650 L CB 1.434 43.415 42.059 -0.131 0.000 1.236 650 L HN 0.417 nan 8.230 nan 0.000 0.410 651 L N 6.702 127.695 121.223 -0.383 0.000 2.257 651 L HA 0.453 4.793 4.340 -0.001 0.000 0.290 651 L C -1.175 175.644 176.870 -0.086 0.000 1.044 651 L CA -0.269 54.405 54.840 -0.276 0.000 0.810 651 L CB 1.050 42.931 42.059 -0.297 0.000 1.193 651 L HN 0.651 nan 8.230 nan 0.000 0.425 652 L N 7.264 128.459 121.223 -0.047 0.000 2.265 652 L HA 0.588 4.928 4.340 -0.001 0.000 0.289 652 L C -0.123 176.773 176.870 0.043 0.000 1.033 652 L CA -0.494 54.354 54.840 0.012 0.000 0.814 652 L CB 1.094 43.152 42.059 -0.002 0.000 1.203 652 L HN 0.704 nan 8.230 nan 0.000 0.423 653 R N 2.225 122.764 120.500 0.065 0.000 3.033 653 R HA 0.374 4.713 4.340 -0.001 0.000 0.284 653 R C -1.859 174.474 176.300 0.054 0.000 0.997 653 R CA -1.052 55.083 56.100 0.058 0.000 0.851 653 R CB 1.035 31.371 30.300 0.060 0.000 1.297 653 R HN 0.152 nan 8.270 nan 0.000 0.518 654 K N 1.526 121.947 120.400 0.034 0.000 2.118 654 K HA 0.278 4.598 4.320 -0.001 0.000 0.267 654 K C -0.517 176.084 176.600 0.001 0.000 0.991 654 K CA -0.638 55.660 56.287 0.019 0.000 0.916 654 K CB 0.676 33.184 32.500 0.014 0.000 1.041 654 K HN 0.751 nan 8.250 nan 0.000 0.455 655 N N 1.445 120.136 118.700 -0.015 0.000 2.681 655 N HA -0.116 4.623 4.740 -0.001 0.000 0.259 655 N C -2.388 173.087 175.510 -0.059 0.000 1.066 655 N CA 0.371 53.397 53.050 -0.040 0.000 0.717 655 N CB -1.088 37.378 38.487 -0.035 0.000 0.885 655 N HN 0.531 nan 8.380 nan 0.000 0.547 656 P HA 0.326 nan 4.420 nan 0.000 0.278 656 P C -0.048 177.127 177.300 -0.209 0.000 1.258 656 P CA -0.064 62.981 63.100 -0.093 0.000 0.811 656 P CB 1.155 32.834 31.700 -0.034 0.000 1.063 657 T N -3.261 111.183 114.554 -0.184 0.000 2.916 657 T HA 0.478 4.828 4.350 -0.001 0.000 0.292 657 T C 0.242 174.830 174.700 -0.188 0.000 1.055 657 T CA -0.728 61.259 62.100 -0.188 0.000 1.009 657 T CB 0.603 69.414 68.868 -0.095 0.000 1.118 657 T HN 0.495 nan 8.240 nan 0.000 0.497 658 S N 0.998 116.606 115.700 -0.153 0.000 2.566 658 S HA 0.331 4.801 4.470 -0.001 0.000 0.280 658 S C -0.113 174.604 174.600 0.196 0.000 1.343 658 S CA -0.694 57.507 58.200 0.003 0.000 1.036 658 S CB -0.386 62.817 63.200 0.005 0.000 0.866 658 S HN 0.703 nan 8.310 nan 0.000 0.526 659 L N 2.519 123.946 121.223 0.340 0.000 2.481 659 L HA 0.377 4.717 4.340 -0.001 0.000 0.255 659 L C -2.247 174.731 176.870 0.179 0.000 1.192 659 L CA -1.618 53.389 54.840 0.279 0.000 0.924 659 L CB 1.570 43.865 42.059 0.395 0.000 1.179 659 L HN 0.608 nan 8.230 nan 0.000 0.491 660 P HA 0.158 nan 4.420 nan 0.000 0.272 660 P C -0.081 177.219 177.300 -0.001 0.000 1.223 660 P CA -0.169 62.968 63.100 0.062 0.000 0.784 660 P CB 1.880 33.605 31.700 0.042 0.000 0.923 661 L N 0.950 122.184 121.223 0.018 0.000 3.366 661 L HA 0.284 4.624 4.340 -0.001 0.000 0.304 661 L C 1.397 178.337 176.870 0.116 0.000 1.292 661 L CA -0.008 54.821 54.840 -0.019 0.000 1.012 661 L CB 0.111 42.145 42.059 -0.042 0.000 1.414 661 L HN 0.751 nan 8.230 nan 0.000 0.603 662 G N 0.931 109.782 108.800 0.085 0.000 2.591 662 G HA2 -0.396 3.563 3.960 -0.001 0.000 0.298 662 G HA3 -0.396 3.563 3.960 -0.001 0.000 0.298 662 G C 0.545 175.510 174.900 0.107 0.000 1.195 662 G CA 0.619 45.790 45.100 0.117 0.000 0.989 662 G HN 0.410 nan 8.290 nan 0.000 0.551 663 Q N -0.515 119.330 119.800 0.074 0.000 2.488 663 Q HA 0.103 4.443 4.340 -0.001 0.000 0.211 663 Q C 0.817 176.651 176.000 -0.277 0.000 0.967 663 Q CA 0.304 56.033 55.803 -0.124 0.000 0.926 663 Q CB 0.188 28.747 28.738 -0.297 0.000 0.992 663 Q HN 0.478 nan 8.270 nan 0.000 0.506 664 Y N 2.700 122.826 120.300 -0.290 0.000 2.881 664 Y HA -0.083 4.466 4.550 -0.001 0.000 0.335 664 Y C -1.552 174.213 175.900 -0.226 0.000 1.263 664 Y CA -1.501 56.424 58.100 -0.291 0.000 1.572 664 Y CB 0.633 39.080 38.460 -0.023 0.000 1.237 664 Y HN 0.027 nan 8.280 nan 0.000 0.568 665 P HA -0.193 nan 4.420 nan 0.000 0.216 665 P C -0.475 176.653 177.300 -0.287 0.000 1.153 665 P CA 1.485 64.264 63.100 -0.536 0.000 0.858 665 P CB 0.232 31.376 31.700 -0.926 0.000 0.789 666 E N 0.072 120.111 120.200 -0.268 0.000 2.191 666 E HA 0.129 4.479 4.350 -0.001 0.000 0.278 666 E C -0.670 176.043 176.600 0.188 0.000 0.972 666 E CA -0.829 55.580 56.400 0.015 0.000 0.804 666 E CB 0.589 30.334 29.700 0.075 0.000 1.110 666 E HN -0.050 nan 8.360 nan 0.000 0.394 667 D N 2.505 122.985 120.400 0.134 0.000 2.345 667 D HA 0.098 4.737 4.640 -0.001 0.000 0.247 667 D C -0.208 176.177 176.300 0.141 0.000 1.108 667 D CA -0.218 53.873 54.000 0.151 0.000 0.894 667 D CB 1.403 42.279 40.800 0.126 0.000 1.203 667 D HN 0.148 nan 8.370 nan 0.000 0.430 668 V N 2.623 122.612 119.914 0.126 0.000 2.740 668 V HA 0.003 4.123 4.120 -0.001 0.000 0.303 668 V C 0.774 176.750 176.094 -0.197 0.000 1.054 668 V CA 0.185 62.464 62.300 -0.034 0.000 1.106 668 V CB 0.411 32.188 31.823 -0.077 0.000 0.957 668 V HN 0.340 nan 8.190 nan 0.000 0.486 669 K N 3.677 123.882 120.400 -0.325 0.000 2.156 669 K HA 0.724 5.043 4.320 -0.001 0.000 0.250 669 K C -1.261 174.986 176.600 -0.589 0.000 0.955 669 K CA -0.328 55.813 56.287 -0.242 0.000 0.855 669 K CB 1.540 33.997 32.500 -0.071 0.000 1.101 669 K HN 0.412 nan 8.250 nan 0.000 0.434 670 F N -0.513 119.447 119.950 0.018 0.000 2.611 670 F HA 0.754 5.281 4.527 -0.001 0.000 0.324 670 F C 0.480 176.282 175.800 0.003 0.000 1.061 670 F CA -0.661 57.341 58.000 0.003 0.000 0.954 670 F CB 2.610 41.612 39.000 0.003 0.000 1.301 670 F HN 0.627 nan 8.300 nan 0.000 0.482 671 G N -0.031 108.882 108.800 0.188 0.000 2.489 671 G HA2 0.334 4.294 3.960 -0.001 0.000 0.291 671 G HA3 0.334 4.294 3.960 -0.001 0.000 0.291 671 G C -2.221 172.727 174.900 0.081 0.000 1.487 671 G CA -0.959 44.205 45.100 0.106 0.000 0.795 671 G HN 0.405 nan 8.290 nan 0.000 0.513 672 D N 0.656 121.091 120.400 0.058 0.000 2.357 672 D HA 0.337 4.976 4.640 -0.001 0.000 0.242 672 D C -2.092 174.231 176.300 0.040 0.000 1.153 672 D CA -0.499 53.529 54.000 0.046 0.000 0.918 672 D CB 1.165 41.987 40.800 0.036 0.000 1.181 672 D HN -0.021 nan 8.370 nan 0.000 0.435 673 P HA 0.051 nan 4.420 nan 0.000 0.265 673 P C -0.408 176.913 177.300 0.035 0.000 1.187 673 P CA 0.467 63.588 63.100 0.036 0.000 0.766 673 P CB 0.441 32.164 31.700 0.038 0.000 0.820 674 R N 0.363 120.885 120.500 0.036 0.000 2.687 674 R HA 0.378 4.717 4.340 -0.001 0.000 0.265 674 R C -1.211 175.117 176.300 0.046 0.000 1.048 674 R CA -0.992 55.130 56.100 0.037 0.000 0.884 674 R CB 1.050 31.369 30.300 0.031 0.000 1.258 674 R HN 0.233 nan 8.270 nan 0.000 0.469 675 E N 2.388 122.618 120.200 0.050 0.000 2.398 675 E HA 0.251 4.601 4.350 -0.001 0.000 0.263 675 E C 0.099 176.741 176.600 0.070 0.000 1.046 675 E CA -0.013 56.427 56.400 0.067 0.000 0.908 675 E CB 0.907 30.635 29.700 0.047 0.000 0.963 675 E HN 0.481 nan 8.360 nan 0.000 0.431 676 I N -2.183 118.457 120.570 0.117 0.000 2.969 676 I HA 0.606 4.775 4.170 -0.001 0.000 0.307 676 I C -0.736 175.501 176.117 0.201 0.000 1.149 676 I CA -0.900 60.468 61.300 0.113 0.000 1.008 676 I CB 2.438 40.471 38.000 0.056 0.000 1.232 676 I HN 0.267 nan 8.210 nan 0.000 0.435 677 S N 3.918 119.709 115.700 0.152 0.000 2.536 677 S HA 0.843 5.313 4.470 -0.001 0.000 0.287 677 S C -1.151 173.547 174.600 0.164 0.000 1.101 677 S CA -0.540 57.764 58.200 0.174 0.000 0.950 677 S CB 1.340 64.588 63.200 0.081 0.000 1.056 677 S HN 0.639 nan 8.310 nan 0.000 0.481 678 L N 3.246 124.598 121.223 0.215 0.000 2.393 678 L HA 0.721 5.061 4.340 -0.001 0.000 0.260 678 L C -0.449 176.507 176.870 0.142 0.000 1.002 678 L CA -0.791 54.146 54.840 0.162 0.000 0.818 678 L CB 2.417 44.577 42.059 0.168 0.000 1.369 678 L HN 0.669 nan 8.230 nan 0.000 0.412 679 R N 1.557 122.120 120.500 0.104 0.000 2.518 679 R HA 0.524 4.864 4.340 -0.001 0.000 0.287 679 R C -2.087 174.256 176.300 0.072 0.000 1.135 679 R CA -0.440 55.711 56.100 0.086 0.000 0.967 679 R CB 2.070 32.415 30.300 0.074 0.000 1.212 679 R HN 0.393 nan 8.270 nan 0.000 0.422 680 V N 4.711 124.666 119.914 0.069 0.000 2.439 680 V HA 0.538 4.658 4.120 -0.001 0.000 0.282 680 V C 1.138 177.262 176.094 0.051 0.000 1.039 680 V CA 0.902 63.238 62.300 0.060 0.000 0.913 680 V CB 1.047 32.907 31.823 0.061 0.000 0.983 680 V HN 1.087 nan 8.190 nan 0.000 0.460 681 G N 5.137 113.966 108.800 0.047 0.000 2.574 681 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.282 681 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.282 681 G C 0.408 175.330 174.900 0.036 0.000 1.257 681 G CA 0.696 45.820 45.100 0.041 0.000 0.956 681 G HN 0.770 nan 8.290 nan 0.000 0.560 682 N N 1.513 120.231 118.700 0.030 0.000 2.327 682 N HA 0.372 5.112 4.740 -0.001 0.000 0.231 682 N C 1.146 176.669 175.510 0.021 0.000 1.130 682 N CA 0.106 53.171 53.050 0.024 0.000 0.845 682 N CB 0.133 38.631 38.487 0.019 0.000 1.073 682 N HN 0.761 nan 8.380 nan 0.000 0.496 683 G N 1.453 110.269 108.800 0.027 0.000 2.531 683 G HA2 0.246 4.206 3.960 -0.001 0.000 0.253 683 G HA3 0.246 4.206 3.960 -0.001 0.000 0.253 683 G C -2.401 172.513 174.900 0.022 0.000 1.439 683 G CA -0.697 44.417 45.100 0.024 0.000 1.056 683 G HN -0.046 nan 8.290 nan 0.000 0.555 684 P HA 0.214 nan 4.420 nan 0.000 0.274 684 P C -0.664 176.658 177.300 0.037 0.000 1.237 684 P CA 0.122 63.232 63.100 0.015 0.000 0.793 684 P CB 1.011 32.715 31.700 0.007 0.000 0.977 685 T N 2.837 117.414 114.554 0.038 0.000 2.758 685 T HA 0.474 4.824 4.350 -0.001 0.000 0.285 685 T C 0.020 174.759 174.700 0.065 0.000 0.981 685 T CA -0.416 61.729 62.100 0.075 0.000 0.965 685 T CB 0.208 69.141 68.868 0.107 0.000 0.927 685 T HN 0.185 nan 8.240 nan 0.000 0.448 686 L N 2.582 123.843 121.223 0.064 0.000 2.329 686 L HA 0.813 5.152 4.340 -0.001 0.000 0.279 686 L C 0.193 177.005 176.870 -0.096 0.000 1.014 686 L CA -1.204 53.595 54.840 -0.068 0.000 0.814 686 L CB 1.500 43.501 42.059 -0.098 0.000 1.257 686 L HN 0.633 nan 8.230 nan 0.000 0.424 687 A N 2.944 125.593 122.820 -0.285 0.000 2.337 687 A HA 0.884 5.204 4.320 -0.001 0.000 0.329 687 A C -1.179 176.134 177.584 -0.451 0.000 1.146 687 A CA -0.303 51.621 52.037 -0.189 0.000 0.800 687 A CB 0.848 19.755 19.000 -0.154 0.000 1.220 687 A HN 0.501 nan 8.150 nan 0.000 0.472 688 F N 0.571 120.506 119.950 -0.024 0.000 2.561 688 F HA 0.570 5.097 4.527 -0.000 0.000 0.321 688 F C 1.056 176.849 175.800 -0.012 0.000 1.065 688 F CA -0.332 57.663 58.000 -0.009 0.000 0.934 688 F CB 2.106 41.118 39.000 0.021 0.000 1.215 688 F HN 0.676 nan 8.300 nan 0.000 0.471 689 S N -0.246 115.558 115.700 0.173 0.000 2.634 689 S HA 0.153 4.623 4.470 -0.001 0.000 0.261 689 S C 0.850 175.525 174.600 0.125 0.000 1.271 689 S CA -0.177 58.089 58.200 0.111 0.000 0.985 689 S CB 0.687 63.945 63.200 0.096 0.000 0.968 689 S HN 0.824 nan 8.310 nan 0.000 0.568 690 E N -0.566 119.687 120.200 0.087 0.000 2.516 690 E HA -0.120 4.230 4.350 -0.001 0.000 0.199 690 E C 1.043 177.687 176.600 0.072 0.000 1.069 690 E CA 0.647 57.091 56.400 0.072 0.000 0.876 690 E CB -0.408 29.325 29.700 0.055 0.000 0.843 690 E HN 0.739 nan 8.360 nan 0.000 0.530 691 Q N 0.058 119.911 119.800 0.089 0.000 2.220 691 Q HA 0.214 4.553 4.340 -0.001 0.000 0.205 691 Q C 0.724 176.787 176.000 0.104 0.000 0.865 691 Q CA 0.334 56.187 55.803 0.083 0.000 0.960 691 Q CB 1.094 29.880 28.738 0.080 0.000 1.097 691 Q HN 0.474 nan 8.270 nan 0.000 0.493 692 G N 0.682 109.560 108.800 0.129 0.000 2.153 692 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.252 692 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.252 692 G C -0.195 174.899 174.900 0.324 0.000 0.994 692 G CA 0.014 45.201 45.100 0.146 0.000 0.698 692 G HN 0.287 nan 8.290 nan 0.000 0.521 693 L N -0.241 121.189 121.223 0.346 0.000 2.325 693 L HA 0.660 4.999 4.340 -0.001 0.000 0.278 693 L C 0.854 177.915 176.870 0.318 0.000 1.023 693 L CA -1.427 53.651 54.840 0.396 0.000 0.811 693 L CB 1.504 43.715 42.059 0.255 0.000 1.249 693 L HN 0.128 nan 8.230 nan 0.000 0.431 694 L N 2.895 124.288 121.223 0.282 0.000 2.559 694 L HA -0.067 4.272 4.340 -0.001 0.000 0.282 694 L C 0.894 177.593 176.870 -0.284 0.000 1.232 694 L CA 1.112 55.838 54.840 -0.190 0.000 0.885 694 L CB 0.118 42.162 42.059 -0.024 0.000 1.131 694 L HN 0.726 nan 8.230 nan 0.000 0.498 695 K N 1.371 121.481 120.400 -0.483 0.000 2.462 695 K HA 0.251 4.571 4.320 -0.001 0.000 0.201 695 K C -0.345 175.868 176.600 -0.646 0.000 1.268 695 K CA 0.544 56.377 56.287 -0.756 0.000 0.933 695 K CB 0.483 32.689 32.500 -0.490 0.000 1.162 695 K HN 0.821 nan 8.250 nan 0.000 0.527 696 S N -0.454 115.010 115.700 -0.392 0.000 2.587 696 S HA 0.519 4.989 4.470 -0.001 0.000 0.269 696 S C -1.041 173.460 174.600 -0.164 0.000 1.154 696 S CA -1.024 57.044 58.200 -0.219 0.000 0.824 696 S CB 1.373 64.511 63.200 -0.104 0.000 1.118 696 S HN 0.085 nan 8.310 nan 0.000 0.462 697 I N 1.175 121.692 120.570 -0.088 0.000 2.533 697 I HA 0.458 4.628 4.170 -0.001 0.000 0.290 697 I C -0.732 175.364 176.117 -0.034 0.000 1.056 697 I CA -0.350 60.912 61.300 -0.063 0.000 1.057 697 I CB 2.224 40.174 38.000 -0.083 0.000 1.240 697 I HN 0.719 nan 8.210 nan 0.000 0.423 698 Q N 5.958 125.741 119.800 -0.027 0.000 2.381 698 Q HA 0.410 4.750 4.340 -0.001 0.000 0.263 698 Q C 0.170 176.122 176.000 -0.081 0.000 1.030 698 Q CA -0.474 55.254 55.803 -0.124 0.000 0.772 698 Q CB 1.664 30.238 28.738 -0.274 0.000 1.232 698 Q HN 0.765 nan 8.270 nan 0.000 0.476 699 L N 1.729 122.905 121.223 -0.078 0.000 2.046 699 L HA -0.064 4.276 4.340 -0.001 0.000 0.208 699 L C 1.145 177.987 176.870 -0.046 0.000 1.077 699 L CA 1.341 56.150 54.840 -0.052 0.000 0.747 699 L CB -0.313 41.716 42.059 -0.051 0.000 0.896 699 L HN 0.631 nan 8.230 nan 0.000 0.432 700 T N -5.769 108.748 114.554 -0.063 0.000 2.896 700 T HA 0.246 4.596 4.350 -0.001 0.000 0.297 700 T C 0.257 174.919 174.700 -0.064 0.000 1.108 700 T CA -0.819 61.252 62.100 -0.048 0.000 1.004 700 T CB 1.774 70.618 68.868 -0.040 0.000 1.159 700 T HN 0.013 nan 8.240 nan 0.000 0.499 701 Q N 0.311 120.088 119.800 -0.038 0.000 2.368 701 Q HA -0.114 4.226 4.340 -0.001 0.000 0.210 701 Q C 1.119 177.091 176.000 -0.046 0.000 0.982 701 Q CA 1.716 57.500 55.803 -0.033 0.000 0.884 701 Q CB -0.122 28.613 28.738 -0.006 0.000 0.933 701 Q HN 0.676 nan 8.270 nan 0.000 0.460 702 D N 0.817 121.187 120.400 -0.049 0.000 2.146 702 D HA -0.056 4.584 4.640 -0.001 0.000 0.209 702 D C 1.016 177.272 176.300 -0.073 0.000 0.973 702 D CA 0.736 54.708 54.000 -0.046 0.000 0.860 702 D CB -0.266 40.513 40.800 -0.034 0.000 1.015 702 D HN 0.161 nan 8.370 nan 0.000 0.465 703 S N 2.602 118.249 115.700 -0.088 0.000 2.549 703 S HA 0.041 4.510 4.470 -0.001 0.000 0.278 703 S C -2.170 172.325 174.600 -0.176 0.000 1.344 703 S CA -0.854 57.281 58.200 -0.108 0.000 1.025 703 S CB 0.290 63.429 63.200 -0.101 0.000 0.851 703 S HN 0.003 nan 8.310 nan 0.000 0.530 704 P HA 0.196 nan 4.420 nan 0.000 0.276 704 P C -0.758 176.407 177.300 -0.224 0.000 1.261 704 P CA -0.474 62.539 63.100 -0.144 0.000 0.800 704 P CB 0.346 32.024 31.700 -0.037 0.000 1.066 705 H N 0.047 119.109 119.070 -0.013 0.000 2.969 705 H HA 0.176 4.732 4.556 -0.001 0.000 0.269 705 H C -0.094 175.212 175.328 -0.037 0.000 1.223 705 H CA -0.340 55.690 56.048 -0.031 0.000 1.400 705 H CB -0.113 29.631 29.762 -0.029 0.000 1.500 705 H HN 0.082 nan 8.280 nan 0.000 0.486 706 V N 6.804 126.723 119.914 0.008 0.000 2.479 706 V HA 0.039 4.159 4.120 -0.001 0.000 0.281 706 V C -1.873 174.189 176.094 -0.053 0.000 1.031 706 V CA -1.445 60.843 62.300 -0.021 0.000 1.038 706 V CB 0.610 32.407 31.823 -0.043 0.000 0.981 706 V HN 0.535 nan 8.190 nan 0.000 0.478 707 P HA 0.148 nan 4.420 nan 0.000 0.264 707 P C -0.768 176.489 177.300 -0.071 0.000 1.229 707 P CA 0.318 63.363 63.100 -0.092 0.000 0.780 707 P CB 0.312 31.788 31.700 -0.372 0.000 0.808 708 V N 5.030 124.908 119.914 -0.060 0.000 2.445 708 V HA 0.230 4.350 4.120 -0.001 0.000 0.283 708 V C -0.238 175.743 176.094 -0.188 0.000 1.014 708 V CA -0.492 61.727 62.300 -0.135 0.000 0.852 708 V CB 0.758 32.453 31.823 -0.214 0.000 1.021 708 V HN 0.555 nan 8.190 nan 0.000 0.435 709 H N 4.398 123.321 119.070 -0.246 0.000 2.511 709 H HA 0.462 5.017 4.556 -0.001 0.000 0.328 709 H C -0.983 174.234 175.328 -0.184 0.000 1.044 709 H CA -0.411 55.535 56.048 -0.170 0.000 1.212 709 H CB 1.967 31.664 29.762 -0.109 0.000 1.428 709 H HN 0.471 nan 8.280 nan 0.000 0.483 710 F N 2.508 122.438 119.950 -0.032 0.000 2.385 710 F HA 0.283 4.810 4.527 -0.001 0.000 0.336 710 F C 0.452 176.166 175.800 -0.142 0.000 1.100 710 F CA -0.126 57.794 58.000 -0.132 0.000 1.116 710 F CB 1.213 40.142 39.000 -0.118 0.000 1.166 710 F HN 0.316 nan 8.300 nan 0.000 0.511 711 K N 3.673 124.066 120.400 -0.011 0.000 2.542 711 K HA 0.423 4.743 4.320 -0.001 0.000 0.259 711 K C -2.064 174.381 176.600 -0.258 0.000 0.932 711 K CA -0.606 55.649 56.287 -0.054 0.000 0.820 711 K CB 1.461 33.961 32.500 0.000 0.000 1.345 711 K HN 0.445 nan 8.250 nan 0.000 0.432 712 F N 3.864 123.789 119.950 -0.042 0.000 2.458 712 F HA 0.494 5.020 4.527 -0.000 0.000 0.336 712 F C -0.427 175.353 175.800 -0.033 0.000 1.114 712 F CA -0.603 57.368 58.000 -0.048 0.000 0.987 712 F CB 1.236 40.185 39.000 -0.085 0.000 1.130 712 F HN 0.247 nan 8.300 nan 0.000 0.458 713 L N 2.734 124.022 121.223 0.109 0.000 2.277 713 L HA 0.643 4.982 4.340 -0.001 0.000 0.254 713 L C -0.985 175.897 176.870 0.021 0.000 1.044 713 L CA -1.007 53.844 54.840 0.018 0.000 0.842 713 L CB 2.168 44.173 42.059 -0.090 0.000 1.422 713 L HN 0.512 nan 8.230 nan 0.000 0.422 714 K N -0.566 119.806 120.400 -0.047 0.000 2.422 714 K HA 0.648 4.967 4.320 -0.001 0.000 0.251 714 K C -1.798 174.763 176.600 -0.065 0.000 0.933 714 K CA -0.769 55.523 56.287 0.009 0.000 0.798 714 K CB 1.759 34.289 32.500 0.050 0.000 1.238 714 K HN 0.325 nan 8.250 nan 0.000 0.428 715 Y N 0.442 120.806 120.300 0.107 0.000 2.457 715 Y HA 0.534 5.083 4.550 -0.001 0.000 0.333 715 Y C 0.878 176.840 175.900 0.104 0.000 1.119 715 Y CA -0.181 57.995 58.100 0.127 0.000 1.143 715 Y CB 2.410 41.006 38.460 0.226 0.000 1.230 715 Y HN 0.928 nan 8.280 nan 0.000 0.469 716 G N 0.553 109.507 108.800 0.256 0.000 2.938 716 G HA2 0.620 4.580 3.960 -0.001 0.000 0.258 716 G HA3 0.620 4.580 3.960 -0.001 0.000 0.258 716 G C -1.571 173.411 174.900 0.136 0.000 1.356 716 G CA -0.733 44.460 45.100 0.154 0.000 1.052 716 G HN 0.425 nan 8.290 nan 0.000 0.550 717 V N 0.062 120.024 119.914 0.081 0.000 2.628 717 V HA 0.443 4.562 4.120 -0.001 0.000 0.306 717 V C 0.127 176.233 176.094 0.020 0.000 1.045 717 V CA -0.849 61.483 62.300 0.054 0.000 0.905 717 V CB 1.791 33.644 31.823 0.048 0.000 0.997 717 V HN 0.687 nan 8.190 nan 0.000 0.436 718 R N 1.624 122.129 120.500 0.008 0.000 2.590 718 R HA 0.140 4.480 4.340 -0.001 0.000 0.274 718 R C 1.297 177.570 176.300 -0.046 0.000 1.061 718 R CA 0.498 56.593 56.100 -0.009 0.000 1.081 718 R CB 0.528 30.834 30.300 0.009 0.000 0.984 718 R HN 0.927 nan 8.270 nan 0.000 0.448 719 S N 1.432 117.057 115.700 -0.125 0.000 2.501 719 S HA 0.017 4.486 4.470 -0.001 0.000 0.220 719 S C 0.582 174.987 174.600 -0.325 0.000 0.997 719 S CA 0.242 58.290 58.200 -0.254 0.000 0.919 719 S CB 0.072 63.037 63.200 -0.392 0.000 0.778 719 S HN 0.541 nan 8.310 nan 0.000 0.523 720 H N 0.271 119.344 119.070 0.005 0.000 2.812 720 H HA 0.628 5.184 4.556 -0.001 0.000 0.355 720 H C 1.267 176.595 175.328 -0.001 0.000 1.207 720 H CA -0.078 55.971 56.048 0.002 0.000 1.217 720 H CB 0.783 30.546 29.762 0.001 0.000 1.874 720 H HN 0.383 nan 8.280 nan 0.000 0.581 721 G N 0.809 109.695 108.800 0.143 0.000 2.578 721 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.275 721 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.275 721 G C -0.628 174.295 174.900 0.038 0.000 1.271 721 G CA 0.110 45.250 45.100 0.066 0.000 0.941 721 G HN 0.629 nan 8.290 nan 0.000 0.564 722 D N 1.067 121.479 120.400 0.020 0.000 2.345 722 D HA 0.566 5.205 4.640 -0.001 0.000 0.247 722 D C 0.943 177.245 176.300 0.003 0.000 1.108 722 D CA 0.064 54.066 54.000 0.004 0.000 0.894 722 D CB 0.904 41.699 40.800 -0.008 0.000 1.203 722 D HN 0.412 nan 8.370 nan 0.000 0.430 723 R N 0.325 120.826 120.500 0.001 0.000 2.486 723 R HA 0.378 4.718 4.340 -0.001 0.000 0.286 723 R C -0.037 176.268 176.300 0.009 0.000 0.999 723 R CA -0.470 55.634 56.100 0.008 0.000 0.993 723 R CB 0.963 31.270 30.300 0.012 0.000 1.084 723 R HN 0.229 nan 8.270 nan 0.000 0.487 724 S N 0.163 115.880 115.700 0.028 0.000 2.585 724 S HA 0.609 5.079 4.470 -0.001 0.000 0.273 724 S C 0.314 174.940 174.600 0.044 0.000 1.339 724 S CA 0.129 58.358 58.200 0.049 0.000 1.028 724 S CB 1.226 64.488 63.200 0.103 0.000 0.906 724 S HN 0.727 nan 8.310 nan 0.000 0.528 725 G N -0.143 108.684 108.800 0.044 0.000 2.911 725 G HA2 0.586 4.545 3.960 -0.001 0.000 0.299 725 G HA3 0.586 4.545 3.960 -0.001 0.000 0.299 725 G C 0.556 175.487 174.900 0.051 0.000 1.283 725 G CA -0.120 45.013 45.100 0.054 0.000 0.805 725 G HN 0.702 nan 8.290 nan 0.000 0.548 726 A N -1.297 121.550 122.820 0.044 0.000 1.978 726 A HA 0.056 4.376 4.320 -0.001 0.000 0.220 726 A C 1.899 179.413 177.584 -0.116 0.000 1.170 726 A CA 2.055 54.062 52.037 -0.050 0.000 0.636 726 A CB -0.611 18.304 19.000 -0.142 0.000 0.810 726 A HN 0.594 nan 8.150 nan 0.000 0.448 727 Y N -0.780 119.459 120.300 -0.101 0.000 2.353 727 Y HA 0.345 4.895 4.550 -0.001 0.000 0.294 727 Y C 0.914 176.704 175.900 -0.182 0.000 1.135 727 Y CA -0.071 57.901 58.100 -0.213 0.000 1.176 727 Y CB -0.223 37.779 38.460 -0.762 0.000 1.124 727 Y HN 0.027 nan 8.280 nan 0.000 0.537 728 L N 0.443 121.627 121.223 -0.064 0.000 2.350 728 L HA 0.211 4.551 4.340 -0.001 0.000 0.275 728 L C -0.878 176.049 176.870 0.095 0.000 1.099 728 L CA -0.284 54.526 54.840 -0.050 0.000 0.808 728 L CB 1.052 43.024 42.059 -0.144 0.000 1.149 728 L HN 0.106 nan 8.230 nan 0.000 0.442 729 F N 4.624 124.522 119.950 -0.087 0.000 2.382 729 F HA 0.474 5.000 4.527 -0.001 0.000 0.361 729 F C -0.698 175.032 175.800 -0.116 0.000 1.109 729 F CA -0.788 57.123 58.000 -0.148 0.000 1.031 729 F CB 0.711 39.557 39.000 -0.256 0.000 1.234 729 F HN 0.309 nan 8.300 nan 0.000 0.445 730 L N 8.874 130.024 121.223 -0.121 0.000 2.556 730 L HA 0.331 4.671 4.340 -0.001 0.000 0.243 730 L C -2.292 174.432 176.870 -0.242 0.000 1.331 730 L CA -1.884 52.823 54.840 -0.222 0.000 0.927 730 L CB 0.918 42.934 42.059 -0.071 0.000 1.219 730 L HN 0.409 nan 8.230 nan 0.000 0.490 731 P HA -0.002 nan 4.420 nan 0.000 0.269 731 P C -0.509 176.741 177.300 -0.083 0.000 1.215 731 P CA -0.165 62.790 63.100 -0.241 0.000 0.780 731 P CB 0.620 32.061 31.700 -0.431 0.000 0.898 732 N N 1.314 120.030 118.700 0.028 0.000 3.209 732 N HA 0.272 5.012 4.740 -0.001 0.000 0.309 732 N C 0.641 176.178 175.510 0.046 0.000 1.384 732 N CA -0.157 52.909 53.050 0.028 0.000 1.173 732 N CB -0.604 37.904 38.487 0.034 0.000 1.460 732 N HN 0.741 nan 8.380 nan 0.000 0.534 733 G N 0.848 109.672 108.800 0.040 0.000 2.592 733 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.684 733 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.684 733 G C -3.083 171.888 174.900 0.119 0.000 1.291 733 G CA -1.141 43.991 45.100 0.053 0.000 0.891 733 G HN 0.333 nan 8.290 nan 0.000 0.544 734 P HA 0.463 nan 4.420 nan 0.000 0.269 734 P C 0.488 177.738 177.300 -0.082 0.000 1.217 734 P CA 0.648 63.800 63.100 0.088 0.000 0.783 734 P CB 0.418 32.140 31.700 0.037 0.000 0.898 735 A N 1.695 124.260 122.820 -0.424 0.000 2.425 735 A HA 0.389 4.709 4.320 -0.001 0.000 0.242 735 A C 0.124 177.550 177.584 -0.262 0.000 1.077 735 A CA 0.262 51.909 52.037 -0.650 0.000 0.781 735 A CB -0.222 18.090 19.000 -1.147 0.000 1.020 735 A HN 0.468 nan 8.150 nan 0.000 0.494 736 S N 2.421 118.014 115.700 -0.179 0.000 2.509 736 S HA 0.558 5.028 4.470 -0.001 0.000 0.297 736 S C -2.679 171.885 174.600 -0.060 0.000 1.118 736 S CA -1.003 57.147 58.200 -0.083 0.000 1.074 736 S CB 1.268 64.442 63.200 -0.042 0.000 1.038 736 S HN 0.556 nan 8.310 nan 0.000 0.498 737 P HA 0.097 nan 4.420 nan 0.000 0.265 737 P C -0.754 176.555 177.300 0.015 0.000 1.193 737 P CA -0.246 62.853 63.100 -0.002 0.000 0.765 737 P CB 0.341 32.044 31.700 0.005 0.000 0.823 738 V N 4.263 124.201 119.914 0.039 0.000 2.637 738 V HA 0.013 4.133 4.120 -0.001 0.000 0.296 738 V C 0.859 176.969 176.094 0.027 0.000 1.046 738 V CA -0.007 62.315 62.300 0.037 0.000 1.066 738 V CB 0.166 32.020 31.823 0.051 0.000 0.968 738 V HN 0.485 nan 8.190 nan 0.000 0.483 739 E N 5.285 125.495 120.200 0.018 0.000 2.217 739 E HA 0.140 4.489 4.350 -0.001 0.000 0.279 739 E C 0.548 177.153 176.600 0.008 0.000 1.068 739 E CA -0.008 56.401 56.400 0.015 0.000 0.882 739 E CB 1.034 30.742 29.700 0.014 0.000 1.039 739 E HN 0.534 nan 8.360 nan 0.000 0.418 740 L N 1.769 122.999 121.223 0.012 0.000 2.446 740 L HA 0.089 4.429 4.340 -0.001 0.000 0.219 740 L C 1.422 178.294 176.870 0.003 0.000 1.116 740 L CA 0.507 55.348 54.840 0.002 0.000 0.844 740 L CB -0.469 41.599 42.059 0.014 0.000 0.970 740 L HN 0.767 nan 8.230 nan 0.000 0.457 741 G N 1.012 109.818 108.800 0.011 0.000 2.574 741 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.286 741 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.286 741 G C -0.021 174.889 174.900 0.018 0.000 1.212 741 G CA -0.089 45.019 45.100 0.013 0.000 0.979 741 G HN 0.409 nan 8.290 nan 0.000 0.557 742 Q N 1.554 121.365 119.800 0.019 0.000 2.788 742 Q HA 0.355 4.695 4.340 -0.001 0.000 0.261 742 Q C -2.255 173.763 176.000 0.030 0.000 1.029 742 Q CA -1.467 54.351 55.803 0.026 0.000 0.848 742 Q CB 1.920 30.673 28.738 0.025 0.000 1.185 742 Q HN 0.636 nan 8.270 nan 0.000 0.482 743 P HA 0.029 nan 4.420 nan 0.000 0.269 743 P C -0.162 177.183 177.300 0.075 0.000 1.215 743 P CA -0.169 62.954 63.100 0.039 0.000 0.780 743 P CB 1.098 32.804 31.700 0.010 0.000 0.898 744 V N 2.776 122.770 119.914 0.133 0.000 2.530 744 V HA 0.126 4.246 4.120 -0.001 0.000 0.282 744 V C 0.598 176.826 176.094 0.225 0.000 1.048 744 V CA -0.286 62.117 62.300 0.171 0.000 0.997 744 V CB 1.327 33.282 31.823 0.219 0.000 0.987 744 V HN 0.287 nan 8.190 nan 0.000 0.477 745 V N 6.253 126.244 119.914 0.128 0.000 2.495 745 V HA 0.485 4.605 4.120 -0.001 0.000 0.298 745 V C -0.447 175.654 176.094 0.012 0.000 1.031 745 V CA -0.653 61.704 62.300 0.094 0.000 0.871 745 V CB 1.711 33.544 31.823 0.018 0.000 0.988 745 V HN 0.656 nan 8.190 nan 0.000 0.432 746 L N 6.602 127.830 121.223 0.008 0.000 2.325 746 L HA 0.716 5.056 4.340 -0.001 0.000 0.281 746 L C -0.640 176.098 176.870 -0.220 0.000 1.004 746 L CA -0.035 54.678 54.840 -0.211 0.000 0.823 746 L CB 1.746 43.575 42.059 -0.384 0.000 1.236 746 L HN 0.439 nan 8.230 nan 0.000 0.415 747 V N 3.996 123.767 119.914 -0.238 0.000 2.384 747 V HA 0.574 4.694 4.120 -0.001 0.000 0.287 747 V C 0.035 176.036 176.094 -0.154 0.000 1.020 747 V CA -0.395 61.788 62.300 -0.196 0.000 0.850 747 V CB 1.548 33.273 31.823 -0.164 0.000 0.987 747 V HN 0.833 nan 8.190 nan 0.000 0.436 748 T N 5.327 119.820 114.554 -0.101 0.000 2.786 748 T HA 0.433 4.783 4.350 -0.001 0.000 0.283 748 T C -0.414 174.300 174.700 0.023 0.000 0.992 748 T CA -0.579 61.518 62.100 -0.004 0.000 0.954 748 T CB 1.151 70.052 68.868 0.056 0.000 0.934 748 T HN 0.667 nan 8.240 nan 0.000 0.440 749 K N 2.428 122.861 120.400 0.055 0.000 2.358 749 K HA 0.693 5.013 4.320 -0.001 0.000 0.260 749 K C -0.387 176.268 176.600 0.090 0.000 0.956 749 K CA -0.574 55.749 56.287 0.059 0.000 0.834 749 K CB 1.057 33.584 32.500 0.045 0.000 1.102 749 K HN 0.794 nan 8.250 nan 0.000 0.431 750 G N 2.191 111.042 108.800 0.085 0.000 2.680 750 G HA2 0.205 4.165 3.960 -0.001 0.000 0.290 750 G HA3 0.205 4.165 3.960 -0.001 0.000 0.290 750 G C -0.078 174.865 174.900 0.072 0.000 1.355 750 G CA -0.573 44.581 45.100 0.090 0.000 0.903 750 G HN 0.469 nan 8.290 nan 0.000 0.474 751 K N -0.280 120.159 120.400 0.065 0.000 2.097 751 K HA 0.058 4.378 4.320 -0.001 0.000 0.205 751 K C 2.172 178.806 176.600 0.058 0.000 1.050 751 K CA 0.995 57.317 56.287 0.057 0.000 0.938 751 K CB -0.232 32.299 32.500 0.051 0.000 0.718 751 K HN 0.428 nan 8.250 nan 0.000 0.442 752 L N -0.504 120.755 121.223 0.060 0.000 2.357 752 L HA 0.158 4.498 4.340 -0.001 0.000 0.211 752 L C 0.905 177.809 176.870 0.056 0.000 1.075 752 L CA 0.136 55.011 54.840 0.059 0.000 0.830 752 L CB 0.312 42.409 42.059 0.063 0.000 0.996 752 L HN 0.127 nan 8.230 nan 0.000 0.467 753 E N -0.414 119.824 120.200 0.063 0.000 2.321 753 E HA 0.447 4.797 4.350 -0.001 0.000 0.278 753 E C -1.502 175.139 176.600 0.068 0.000 0.902 753 E CA -0.252 56.185 56.400 0.062 0.000 0.758 753 E CB 2.268 32.004 29.700 0.059 0.000 1.213 753 E HN -0.121 nan 8.360 nan 0.000 0.426 754 S N 0.986 116.722 115.700 0.060 0.000 2.632 754 S HA 0.796 5.266 4.470 -0.001 0.000 0.289 754 S C -1.413 173.204 174.600 0.028 0.000 1.115 754 S CA -0.619 57.610 58.200 0.048 0.000 0.889 754 S CB 1.814 65.042 63.200 0.048 0.000 1.116 754 S HN 0.658 nan 8.310 nan 0.000 0.486 755 S N -0.358 115.332 115.700 -0.016 0.000 2.578 755 S HA 0.691 5.161 4.470 -0.001 0.000 0.272 755 S C -1.928 172.569 174.600 -0.171 0.000 1.145 755 S CA -0.753 57.411 58.200 -0.060 0.000 0.835 755 S CB 0.938 64.126 63.200 -0.020 0.000 1.104 755 S HN 0.505 nan 8.310 nan 0.000 0.458 756 V N 1.816 121.574 119.914 -0.259 0.000 2.443 756 V HA 0.712 4.832 4.120 -0.001 0.000 0.293 756 V C -0.549 175.408 176.094 -0.230 0.000 1.021 756 V CA -0.389 61.686 62.300 -0.374 0.000 0.848 756 V CB 1.510 32.799 31.823 -0.889 0.000 0.998 756 V HN 0.970 nan 8.190 nan 0.000 0.424 757 S N 3.360 118.980 115.700 -0.133 0.000 2.500 757 S HA 0.778 5.248 4.470 -0.001 0.000 0.301 757 S C -0.748 173.779 174.600 -0.121 0.000 1.092 757 S CA -0.622 57.507 58.200 -0.117 0.000 1.030 757 S CB 2.145 65.376 63.200 0.051 0.000 1.031 757 S HN 0.648 nan 8.310 nan 0.000 0.483 758 V N 2.267 121.981 119.914 -0.333 0.000 2.709 758 V HA 0.807 4.926 4.120 -0.001 0.000 0.308 758 V C 0.012 175.729 176.094 -0.629 0.000 1.062 758 V CA -0.443 61.670 62.300 -0.312 0.000 0.901 758 V CB 1.724 33.500 31.823 -0.078 0.000 1.003 758 V HN 0.984 nan 8.190 nan 0.000 0.425 759 G N 7.148 115.606 108.800 -0.571 0.000 2.546 759 G HA2 0.529 4.489 3.960 -0.001 0.000 0.320 759 G HA3 0.529 4.489 3.960 -0.001 0.000 0.320 759 G C -0.537 174.227 174.900 -0.227 0.000 0.984 759 G CA -0.329 44.493 45.100 -0.464 0.000 1.183 759 G HN 0.707 nan 8.290 nan 0.000 0.443 760 L N 2.671 123.722 121.223 -0.287 0.000 2.400 760 L HA 0.415 4.755 4.340 -0.001 0.000 0.264 760 L C -2.088 174.655 176.870 -0.212 0.000 1.061 760 L CA -2.419 52.279 54.840 -0.236 0.000 0.799 760 L CB 1.812 43.666 42.059 -0.343 0.000 1.240 760 L HN 0.184 nan 8.230 nan 0.000 0.461 761 P HA 0.085 nan 4.420 nan 0.000 0.266 761 P C -0.009 177.217 177.300 -0.122 0.000 1.215 761 P CA 0.478 63.514 63.100 -0.105 0.000 0.763 761 P CB 0.930 32.595 31.700 -0.058 0.000 0.806 762 S N -0.026 115.622 115.700 -0.088 0.000 2.691 762 S HA -0.108 4.361 4.470 -0.001 0.000 0.262 762 S C 0.201 174.716 174.600 -0.142 0.000 1.284 762 S CA 1.183 59.337 58.200 -0.076 0.000 1.372 762 S CB -1.477 61.696 63.200 -0.045 0.000 1.693 762 S HN 0.382 nan 8.310 nan 0.000 0.647 763 V N 1.162 120.929 119.914 -0.245 0.000 2.711 763 V HA 0.470 4.590 4.120 -0.001 0.000 0.304 763 V C -0.353 175.514 176.094 -0.379 0.000 1.097 763 V CA -0.794 61.310 62.300 -0.326 0.000 0.906 763 V CB 2.161 33.644 31.823 -0.566 0.000 1.015 763 V HN 0.082 nan 8.190 nan 0.000 0.427 764 V N 4.413 124.115 119.914 -0.352 0.000 2.320 764 V HA 0.309 4.429 4.120 -0.001 0.000 0.265 764 V C 0.178 176.058 176.094 -0.356 0.000 1.048 764 V CA -0.373 61.614 62.300 -0.523 0.000 0.865 764 V CB 0.609 32.042 31.823 -0.651 0.000 1.043 764 V HN 0.893 nan 8.190 nan 0.000 0.474 765 H N 5.540 124.349 119.070 -0.436 0.000 2.562 765 H HA 0.498 5.053 4.556 -0.001 0.000 0.314 765 H C -0.699 174.501 175.328 -0.212 0.000 1.079 765 H CA -0.507 55.388 56.048 -0.254 0.000 1.349 765 H CB 1.081 30.734 29.762 -0.181 0.000 1.432 765 H HN 0.669 nan 8.280 nan 0.000 0.479 766 Q N 3.378 122.879 119.800 -0.498 0.000 2.323 766 Q HA 0.297 4.637 4.340 -0.001 0.000 0.271 766 Q C -1.146 174.644 176.000 -0.351 0.000 1.048 766 Q CA -0.901 54.687 55.803 -0.359 0.000 0.792 766 Q CB 2.711 31.342 28.738 -0.178 0.000 1.280 766 Q HN 0.527 nan 8.270 nan 0.000 0.441 767 T N 2.983 117.411 114.554 -0.209 0.000 2.791 767 T HA 0.565 4.914 4.350 -0.001 0.000 0.288 767 T C -0.348 174.368 174.700 0.027 0.000 0.999 767 T CA -0.399 61.688 62.100 -0.020 0.000 0.952 767 T CB 0.285 69.297 68.868 0.241 0.000 0.938 767 T HN 0.365 nan 8.240 nan 0.000 0.444 768 I N 3.679 124.278 120.570 0.049 0.000 2.412 768 I HA 0.509 4.679 4.170 -0.001 0.000 0.296 768 I C -0.156 176.009 176.117 0.080 0.000 0.987 768 I CA -0.775 60.556 61.300 0.052 0.000 1.180 768 I CB 1.662 39.685 38.000 0.038 0.000 1.340 768 I HN 0.383 nan 8.210 nan 0.000 0.455 769 M N 5.816 125.462 119.600 0.077 0.000 2.253 769 M HA 0.484 4.964 4.480 -0.001 0.000 0.314 769 M C 0.147 176.485 176.300 0.063 0.000 1.019 769 M CA -0.334 55.016 55.300 0.082 0.000 0.932 769 M CB 2.199 34.862 32.600 0.104 0.000 1.606 769 M HN 0.474 nan 8.290 nan 0.000 0.430 770 R N 1.238 121.771 120.500 0.055 0.000 2.572 770 R HA 0.370 4.710 4.340 -0.001 0.000 0.370 770 R C 0.782 177.108 176.300 0.044 0.000 1.005 770 R CA 0.276 56.403 56.100 0.045 0.000 1.146 770 R CB 1.169 31.489 30.300 0.034 0.000 1.390 770 R HN 1.146 nan 8.270 nan 0.000 0.553 771 G N -0.257 108.572 108.800 0.047 0.000 2.284 771 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.201 771 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.201 771 G C 0.315 175.236 174.900 0.036 0.000 0.998 771 G CA -0.348 44.777 45.100 0.042 0.000 0.651 771 G HN 0.520 nan 8.290 nan 0.000 0.489 772 G N 0.078 108.900 108.800 0.036 0.000 3.291 772 G HA2 0.764 4.723 3.960 -0.001 0.000 0.173 772 G HA3 0.764 4.723 3.960 -0.001 0.000 0.173 772 G C 0.412 175.332 174.900 0.034 0.000 1.099 772 G CA 0.563 45.681 45.100 0.030 0.000 0.794 772 G HN 1.527 nan 8.290 nan 0.000 0.651 773 A N 1.888 124.727 122.820 0.031 0.000 2.520 773 A HA 0.535 4.855 4.320 -0.001 0.000 0.245 773 A C -1.711 175.908 177.584 0.059 0.000 1.072 773 A CA -0.516 51.544 52.037 0.039 0.000 0.761 773 A CB -0.417 18.604 19.000 0.036 0.000 1.004 773 A HN 0.383 nan 8.150 nan 0.000 0.499 774 P HA 0.158 nan 4.420 nan 0.000 0.272 774 P C -0.533 176.834 177.300 0.113 0.000 1.230 774 P CA -0.192 62.967 63.100 0.099 0.000 0.788 774 P CB 0.823 32.597 31.700 0.124 0.000 0.949 775 E N 1.329 121.593 120.200 0.107 0.000 2.179 775 E HA 0.426 4.776 4.350 -0.001 0.000 0.275 775 E C -0.854 175.818 176.600 0.121 0.000 0.945 775 E CA -0.765 55.704 56.400 0.114 0.000 0.792 775 E CB 0.710 30.456 29.700 0.077 0.000 1.125 775 E HN 0.225 nan 8.360 nan 0.000 0.397 776 I N 3.887 124.562 120.570 0.175 0.000 2.433 776 I HA 0.439 4.609 4.170 -0.001 0.000 0.292 776 I C -0.119 176.120 176.117 0.204 0.000 1.001 776 I CA -0.643 60.736 61.300 0.131 0.000 1.119 776 I CB 1.368 39.449 38.000 0.135 0.000 1.289 776 I HN 0.577 nan 8.210 nan 0.000 0.438 777 R N 4.470 125.018 120.500 0.081 0.000 2.575 777 R HA 0.494 4.834 4.340 -0.001 0.000 0.293 777 R C -1.016 175.341 176.300 0.095 0.000 0.983 777 R CA -0.845 55.324 56.100 0.116 0.000 0.887 777 R CB 2.145 32.468 30.300 0.039 0.000 1.184 777 R HN 0.471 nan 8.270 nan 0.000 0.445 778 N N 2.635 121.454 118.700 0.199 0.000 2.442 778 N HA 0.197 4.937 4.740 -0.001 0.000 0.274 778 N C -1.295 174.240 175.510 0.042 0.000 1.002 778 N CA -0.699 52.445 53.050 0.157 0.000 0.910 778 N CB 1.918 40.606 38.487 0.334 0.000 1.244 778 N HN 0.323 nan 8.380 nan 0.000 0.492 779 L N 3.789 124.975 121.223 -0.062 0.000 2.282 779 L HA 0.377 4.717 4.340 -0.001 0.000 0.287 779 L C -1.019 175.792 176.870 -0.098 0.000 1.075 779 L CA -0.522 54.261 54.840 -0.094 0.000 0.839 779 L CB 0.360 42.346 42.059 -0.122 0.000 1.219 779 L HN 0.209 nan 8.230 nan 0.000 0.434 780 V N 4.418 124.280 119.914 -0.086 0.000 2.364 780 V HA 0.363 4.483 4.120 -0.001 0.000 0.272 780 V C -0.320 175.750 176.094 -0.040 0.000 1.036 780 V CA -0.443 61.826 62.300 -0.053 0.000 0.880 780 V CB 1.176 32.999 31.823 0.001 0.000 0.991 780 V HN 0.692 nan 8.190 nan 0.000 0.460 781 D N 4.050 124.432 120.400 -0.030 0.000 2.375 781 D HA 0.244 4.884 4.640 -0.001 0.000 0.259 781 D C 0.475 176.780 176.300 0.009 0.000 1.235 781 D CA -0.434 53.561 54.000 -0.009 0.000 0.924 781 D CB 1.293 42.087 40.800 -0.010 0.000 1.143 781 D HN 0.473 nan 8.370 nan 0.000 0.529 782 I N 2.409 122.995 120.570 0.027 0.000 3.241 782 I HA 0.057 4.227 4.170 -0.001 0.000 0.280 782 I C 1.451 177.590 176.117 0.036 0.000 1.320 782 I CA 0.974 62.297 61.300 0.039 0.000 1.413 782 I CB -0.335 37.701 38.000 0.059 0.000 1.060 782 I HN 0.599 nan 8.210 nan 0.000 0.500 783 G N 1.030 109.847 108.800 0.029 0.000 2.684 783 G HA2 -0.488 3.472 3.960 -0.001 0.000 0.332 783 G HA3 -0.488 3.472 3.960 -0.001 0.000 0.332 783 G C 0.717 175.633 174.900 0.026 0.000 1.306 783 G CA 0.748 45.864 45.100 0.026 0.000 1.002 783 G HN 0.697 nan 8.290 nan 0.000 0.545 784 S N -0.427 115.288 115.700 0.025 0.000 2.582 784 S HA 0.492 4.962 4.470 -0.001 0.000 0.234 784 S C 0.545 175.163 174.600 0.030 0.000 0.961 784 S CA 0.061 58.276 58.200 0.024 0.000 0.953 784 S CB 0.421 63.631 63.200 0.016 0.000 0.800 784 S HN 0.607 nan 8.310 nan 0.000 0.471 785 L N 4.081 125.325 121.223 0.036 0.000 2.505 785 L HA 0.265 4.605 4.340 -0.001 0.000 0.279 785 L C 0.057 176.954 176.870 0.045 0.000 1.211 785 L CA 0.266 55.130 54.840 0.041 0.000 1.059 785 L CB -0.962 41.124 42.059 0.046 0.000 1.340 785 L HN 0.257 nan 8.230 nan 0.000 0.447 786 D N 3.016 123.439 120.400 0.039 0.000 2.362 786 D HA 0.025 4.664 4.640 -0.001 0.000 0.242 786 D C 0.530 176.858 176.300 0.047 0.000 1.132 786 D CA -0.128 53.896 54.000 0.041 0.000 0.907 786 D CB 0.431 41.250 40.800 0.033 0.000 1.195 786 D HN 0.343 nan 8.370 nan 0.000 0.429 787 N N 0.375 119.107 118.700 0.052 0.000 2.714 787 N HA -0.156 4.584 4.740 -0.001 0.000 0.253 787 N C -0.917 174.640 175.510 0.078 0.000 1.024 787 N CA 0.889 53.975 53.050 0.061 0.000 0.726 787 N CB -1.116 37.399 38.487 0.047 0.000 0.908 787 N HN 0.375 nan 8.380 nan 0.000 0.542 788 T N 0.406 115.012 114.554 0.086 0.000 2.952 788 T HA 0.404 4.754 4.350 -0.001 0.000 0.305 788 T C -0.335 174.436 174.700 0.119 0.000 1.064 788 T CA -0.684 61.479 62.100 0.105 0.000 1.008 788 T CB 2.419 71.337 68.868 0.084 0.000 1.078 788 T HN 0.030 nan 8.240 nan 0.000 0.459 789 E N 2.422 122.721 120.200 0.165 0.000 2.218 789 E HA 0.422 4.772 4.350 -0.001 0.000 0.263 789 E C -0.691 176.037 176.600 0.213 0.000 0.879 789 E CA -0.588 55.909 56.400 0.162 0.000 0.762 789 E CB 2.180 31.955 29.700 0.124 0.000 1.166 789 E HN 0.507 nan 8.360 nan 0.000 0.415 790 I N 3.063 123.743 120.570 0.183 0.000 2.325 790 I HA 0.238 4.408 4.170 -0.001 0.000 0.291 790 I C -0.170 176.095 176.117 0.248 0.000 1.019 790 I CA -0.705 60.719 61.300 0.207 0.000 1.302 790 I CB 1.253 39.364 38.000 0.185 0.000 1.401 790 I HN 0.182 nan 8.210 nan 0.000 0.485 791 V N 8.140 128.206 119.914 0.253 0.000 2.628 791 V HA 0.514 4.634 4.120 -0.001 0.000 0.306 791 V C -0.506 175.641 176.094 0.089 0.000 1.045 791 V CA -0.735 61.700 62.300 0.226 0.000 0.905 791 V CB 2.108 34.132 31.823 0.335 0.000 0.997 791 V HN 0.762 nan 8.190 nan 0.000 0.436 792 M N 7.144 126.721 119.600 -0.039 0.000 2.149 792 M HA 0.586 5.066 4.480 -0.001 0.000 0.342 792 M C -0.644 175.540 176.300 -0.193 0.000 1.068 792 M CA -0.464 54.595 55.300 -0.403 0.000 0.991 792 M CB 0.733 33.041 32.600 -0.487 0.000 1.596 792 M HN 0.767 nan 8.290 nan 0.000 0.439 793 R N 4.633 125.016 120.500 -0.194 0.000 2.711 793 R HA 0.727 5.067 4.340 -0.001 0.000 0.284 793 R C -1.996 174.258 176.300 -0.077 0.000 0.968 793 R CA -0.641 55.406 56.100 -0.087 0.000 0.924 793 R CB 1.601 31.864 30.300 -0.062 0.000 1.162 793 R HN 0.823 nan 8.270 nan 0.000 0.465 794 L N 3.284 124.429 121.223 -0.130 0.000 2.325 794 L HA 0.429 4.769 4.340 -0.001 0.000 0.281 794 L C -0.628 176.151 176.870 -0.153 0.000 1.004 794 L CA -0.481 54.213 54.840 -0.244 0.000 0.823 794 L CB 1.999 43.849 42.059 -0.349 0.000 1.236 794 L HN 0.623 nan 8.230 nan 0.000 0.415 795 E N 2.316 122.440 120.200 -0.126 0.000 2.158 795 E HA 0.537 4.887 4.350 -0.001 0.000 0.271 795 E C -0.557 175.978 176.600 -0.108 0.000 0.911 795 E CA -0.477 55.865 56.400 -0.098 0.000 0.767 795 E CB 2.267 31.906 29.700 -0.101 0.000 1.120 795 E HN 0.618 nan 8.360 nan 0.000 0.405 796 T N -1.300 113.203 114.554 -0.085 0.000 2.716 796 T HA 0.315 4.665 4.350 -0.001 0.000 0.286 796 T C 0.152 174.860 174.700 0.013 0.000 1.052 796 T CA -0.670 61.370 62.100 -0.100 0.000 1.024 796 T CB 1.047 69.874 68.868 -0.068 0.000 1.349 796 T HN 0.590 nan 8.240 nan 0.000 0.525 797 H N -0.905 118.151 119.070 -0.024 0.000 2.594 797 H HA 0.429 4.985 4.556 -0.001 0.000 0.279 797 H C 0.167 175.491 175.328 -0.007 0.000 1.042 797 H CA -0.560 55.477 56.048 -0.019 0.000 1.177 797 H CB 0.182 29.937 29.762 -0.013 0.000 1.524 797 H HN 0.323 nan 8.280 nan 0.000 0.537 798 I N 1.970 122.604 120.570 0.106 0.000 2.741 798 I HA -0.141 4.029 4.170 -0.001 0.000 0.288 798 I C 0.561 176.719 176.117 0.068 0.000 1.192 798 I CA 0.362 61.705 61.300 0.073 0.000 1.426 798 I CB 0.399 38.432 38.000 0.055 0.000 1.367 798 I HN 0.175 nan 8.210 nan 0.000 0.563 799 D N 4.759 125.194 120.400 0.059 0.000 2.801 799 D HA 0.012 4.652 4.640 -0.001 0.000 0.232 799 D C 1.326 177.665 176.300 0.064 0.000 1.128 799 D CA 0.035 54.065 54.000 0.050 0.000 1.003 799 D CB 0.287 41.109 40.800 0.037 0.000 1.110 799 D HN 0.565 nan 8.370 nan 0.000 0.477 800 S N 0.003 115.749 115.700 0.076 0.000 2.461 800 S HA 0.199 4.669 4.470 -0.001 0.000 0.228 800 S C 1.616 176.271 174.600 0.092 0.000 1.005 800 S CA 0.368 58.630 58.200 0.103 0.000 0.942 800 S CB -0.191 63.083 63.200 0.124 0.000 0.776 800 S HN 0.514 nan 8.310 nan 0.000 0.514 801 G N 3.107 111.948 108.800 0.068 0.000 2.574 801 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.301 801 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.301 801 G C 0.104 175.048 174.900 0.073 0.000 1.166 801 G CA 0.571 45.707 45.100 0.060 0.000 0.971 801 G HN 0.807 nan 8.290 nan 0.000 0.542 802 D N 0.142 120.591 120.400 0.081 0.000 2.501 802 D HA 0.374 5.014 4.640 -0.001 0.000 0.224 802 D C 0.576 176.964 176.300 0.147 0.000 1.202 802 D CA -0.253 53.813 54.000 0.110 0.000 0.829 802 D CB 0.238 41.087 40.800 0.082 0.000 1.023 802 D HN 0.463 nan 8.370 nan 0.000 0.499 803 I N 1.474 122.120 120.570 0.127 0.000 2.460 803 I HA 0.534 4.703 4.170 -0.001 0.000 0.298 803 I C -0.204 176.019 176.117 0.177 0.000 0.989 803 I CA -1.102 60.226 61.300 0.047 0.000 1.173 803 I CB 0.745 38.741 38.000 -0.007 0.000 1.338 803 I HN 0.029 nan 8.210 nan 0.000 0.456 804 F N 4.275 124.064 119.950 -0.267 0.000 2.741 804 F HA 0.675 5.202 4.527 -0.000 0.000 0.313 804 F C -2.137 173.339 175.800 -0.539 0.000 1.153 804 F CA -1.156 56.713 58.000 -0.219 0.000 0.931 804 F CB 1.477 40.408 39.000 -0.115 0.000 1.335 804 F HN 0.179 nan 8.300 nan 0.000 0.460 805 Y N 0.231 120.305 120.300 -0.376 0.000 2.462 805 Y HA 0.719 5.269 4.550 -0.001 0.000 0.346 805 Y C 0.009 175.738 175.900 -0.285 0.000 0.976 805 Y CA -0.762 56.985 58.100 -0.589 0.000 1.044 805 Y CB 2.449 40.166 38.460 -1.240 0.000 1.230 805 Y HN 0.869 nan 8.280 nan 0.000 0.455 806 T N -1.429 113.069 114.554 -0.094 0.000 2.896 806 T HA 0.487 4.836 4.350 -0.001 0.000 0.297 806 T C -1.161 173.375 174.700 -0.273 0.000 1.108 806 T CA -1.073 60.986 62.100 -0.069 0.000 1.004 806 T CB 2.122 70.919 68.868 -0.119 0.000 1.159 806 T HN 0.596 nan 8.240 nan 0.000 0.499 807 D N 1.064 121.139 120.400 -0.541 0.000 2.332 807 D HA 0.418 5.057 4.640 -0.001 0.000 0.252 807 D C -0.652 175.384 176.300 -0.441 0.000 1.050 807 D CA -0.839 52.645 54.000 -0.860 0.000 0.970 807 D CB 1.404 41.410 40.800 -1.324 0.000 1.141 807 D HN 0.558 nan 8.370 nan 0.000 0.485 808 L N 1.119 122.126 121.223 -0.361 0.000 2.342 808 L HA 0.250 4.590 4.340 -0.001 0.000 0.276 808 L C 0.178 176.929 176.870 -0.198 0.000 0.997 808 L CA -0.817 53.902 54.840 -0.201 0.000 0.838 808 L CB 0.812 42.814 42.059 -0.094 0.000 1.224 808 L HN 0.416 nan 8.230 nan 0.000 0.416 809 N N 2.720 121.313 118.700 -0.178 0.000 2.708 809 N HA -0.225 4.514 4.740 -0.001 0.000 0.249 809 N C 1.009 176.315 175.510 -0.341 0.000 1.097 809 N CA 0.957 53.900 53.050 -0.179 0.000 0.710 809 N CB -0.821 37.632 38.487 -0.056 0.000 1.032 809 N HN 1.133 nan 8.380 nan 0.000 0.551 810 G N -0.643 107.955 108.800 -0.337 0.000 2.203 810 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.263 810 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.263 810 G C 0.662 175.509 174.900 -0.088 0.000 1.012 810 G CA 0.849 45.773 45.100 -0.294 0.000 0.749 810 G HN 0.492 nan 8.290 nan 0.000 0.512 811 L N -0.754 120.361 121.223 -0.180 0.000 2.547 811 L HA 0.486 4.826 4.340 -0.001 0.000 0.218 811 L C 1.021 177.759 176.870 -0.220 0.000 1.048 811 L CA 1.842 56.490 54.840 -0.320 0.000 0.859 811 L CB 0.159 41.866 42.059 -0.587 0.000 1.128 811 L HN 0.676 nan 8.230 nan 0.000 0.483 812 Q N -1.717 117.965 119.800 -0.198 0.000 2.462 812 Q HA 0.367 4.707 4.340 -0.001 0.000 0.285 812 Q C -1.685 174.203 176.000 -0.186 0.000 1.035 812 Q CA -0.763 54.992 55.803 -0.079 0.000 0.799 812 Q CB 1.312 30.080 28.738 0.050 0.000 1.452 812 Q HN -0.030 nan 8.270 nan 0.000 0.404 813 F N 1.262 121.168 119.950 -0.072 0.000 2.427 813 F HA 0.583 5.110 4.527 -0.001 0.000 0.346 813 F C -0.185 175.580 175.800 -0.059 0.000 1.120 813 F CA -0.823 57.146 58.000 -0.051 0.000 1.033 813 F CB 1.679 40.689 39.000 0.018 0.000 1.126 813 F HN 0.524 nan 8.300 nan 0.000 0.462 814 I N 3.857 124.433 120.570 0.010 0.000 2.493 814 I HA 0.343 4.513 4.170 -0.001 0.000 0.298 814 I C -0.514 175.456 176.117 -0.245 0.000 0.998 814 I CA -0.889 60.365 61.300 -0.077 0.000 1.137 814 I CB 1.320 39.230 38.000 -0.151 0.000 1.310 814 I HN 0.509 nan 8.210 nan 0.000 0.445 815 K N 6.761 126.966 120.400 -0.326 0.000 2.368 815 K HA 0.286 4.605 4.320 -0.001 0.000 0.282 815 K C -0.880 175.257 176.600 -0.772 0.000 1.035 815 K CA -0.373 55.439 56.287 -0.793 0.000 0.973 815 K CB 0.537 32.711 32.500 -0.542 0.000 0.957 815 K HN 0.515 nan 8.250 nan 0.000 0.474 816 R N 3.180 123.040 120.500 -1.066 0.000 2.778 816 R HA 0.367 4.707 4.340 -0.001 0.000 0.277 816 R C -0.599 175.186 176.300 -0.859 0.000 0.977 816 R CA -0.832 54.581 56.100 -1.144 0.000 0.950 816 R CB 1.630 30.727 30.300 -2.006 0.000 1.165 816 R HN 0.685 nan 8.270 nan 0.000 0.474 817 R N 1.450 121.669 120.500 -0.468 0.000 2.476 817 R HA 0.293 4.633 4.340 -0.001 0.000 0.305 817 R C -0.569 175.772 176.300 0.069 0.000 0.965 817 R CA -0.648 55.361 56.100 -0.152 0.000 0.867 817 R CB 1.543 31.792 30.300 -0.084 0.000 1.176 817 R HN 0.532 nan 8.270 nan 0.000 0.447 818 R N 4.918 125.560 120.500 0.236 0.000 2.489 818 R HA 0.127 4.467 4.340 -0.001 0.000 0.287 818 R C -0.923 175.463 176.300 0.143 0.000 1.053 818 R CA 0.205 56.476 56.100 0.285 0.000 1.036 818 R CB 0.404 30.855 30.300 0.252 0.000 0.966 818 R HN 0.546 nan 8.270 nan 0.000 0.432 819 L N 5.075 126.363 121.223 0.109 0.000 2.316 819 L HA 0.226 4.566 4.340 -0.001 0.000 0.280 819 L C 0.184 177.051 176.870 -0.006 0.000 1.006 819 L CA -0.665 54.196 54.840 0.035 0.000 0.836 819 L CB 1.951 44.005 42.059 -0.008 0.000 1.221 819 L HN 0.637 nan 8.230 nan 0.000 0.418 820 D N 1.679 122.082 120.400 0.004 0.000 2.371 820 D HA -0.107 4.533 4.640 -0.001 0.000 0.221 820 D C 1.619 177.902 176.300 -0.028 0.000 0.986 820 D CA 0.735 54.731 54.000 -0.007 0.000 0.899 820 D CB 0.371 41.176 40.800 0.008 0.000 0.902 820 D HN 0.571 nan 8.370 nan 0.000 0.530 821 K N 0.173 120.547 120.400 -0.043 0.000 2.459 821 K HA 0.060 4.380 4.320 -0.001 0.000 0.193 821 K C 0.613 177.151 176.600 -0.103 0.000 1.030 821 K CA 0.228 56.487 56.287 -0.047 0.000 1.026 821 K CB 0.443 32.929 32.500 -0.024 0.000 0.809 821 K HN 0.079 nan 8.250 nan 0.000 0.504 822 L N 2.573 123.702 121.223 -0.157 0.000 2.342 822 L HA 0.465 4.805 4.340 -0.001 0.000 0.271 822 L C -2.270 174.495 176.870 -0.175 0.000 1.008 822 L CA -2.906 51.798 54.840 -0.227 0.000 0.818 822 L CB 1.700 43.528 42.059 -0.385 0.000 1.296 822 L HN -0.035 nan 8.230 nan 0.000 0.427 823 P HA -0.003 nan 4.420 nan 0.000 0.271 823 P C 0.894 178.071 177.300 -0.205 0.000 1.233 823 P CA -0.305 62.701 63.100 -0.157 0.000 0.789 823 P CB 1.321 32.952 31.700 -0.115 0.000 0.951 824 L N 1.108 122.239 121.223 -0.153 0.000 1.997 824 L HA -0.290 4.050 4.340 -0.001 0.000 0.216 824 L C 2.586 179.356 176.870 -0.165 0.000 1.074 824 L CA 2.063 56.833 54.840 -0.118 0.000 0.763 824 L CB -0.700 41.293 42.059 -0.111 0.000 0.890 824 L HN 0.454 nan 8.230 nan 0.000 0.434 825 Q N -0.238 119.347 119.800 -0.359 0.000 2.297 825 Q HA -0.200 4.139 4.340 -0.001 0.000 0.208 825 Q C 1.839 177.722 176.000 -0.195 0.000 0.981 825 Q CA 1.623 57.233 55.803 -0.321 0.000 0.876 825 Q CB -0.586 27.885 28.738 -0.445 0.000 0.921 825 Q HN 0.629 nan 8.270 nan 0.000 0.446 826 A N 1.382 123.895 122.820 -0.512 0.000 2.119 826 A HA -0.035 4.285 4.320 -0.001 0.000 0.216 826 A C 1.578 178.982 177.584 -0.301 0.000 1.152 826 A CA 0.701 52.278 52.037 -0.767 0.000 0.708 826 A CB -0.148 18.063 19.000 -1.315 0.000 0.805 826 A HN 0.349 nan 8.150 nan 0.000 0.460 827 N N -1.119 117.522 118.700 -0.098 0.000 2.322 827 N HA 0.069 4.809 4.740 -0.001 0.000 0.194 827 N C -0.946 174.680 175.510 0.194 0.000 1.126 827 N CA 0.194 53.307 53.050 0.105 0.000 0.845 827 N CB 0.081 38.675 38.487 0.179 0.000 0.976 827 N HN 0.459 nan 8.380 nan 0.000 0.475 828 Y N 0.225 120.490 120.300 -0.059 0.000 2.308 828 Y HA 0.245 4.795 4.550 -0.001 0.000 0.329 828 Y C -0.242 175.638 175.900 -0.033 0.000 1.111 828 Y CA -0.282 57.876 58.100 0.096 0.000 1.179 828 Y CB 0.461 39.044 38.460 0.205 0.000 1.201 828 Y HN -0.065 nan 8.280 nan 0.000 0.483 829 Y N 3.375 123.812 120.300 0.229 0.000 2.605 829 Y HA 0.471 5.020 4.550 -0.001 0.000 0.343 829 Y C -2.334 173.305 175.900 -0.436 0.000 1.036 829 Y CA -2.873 55.234 58.100 0.012 0.000 1.065 829 Y CB 1.505 39.962 38.460 -0.005 0.000 1.288 829 Y HN 0.455 nan 8.280 nan 0.000 0.481 830 P HA 0.145 nan 4.420 nan 0.000 0.271 830 P C -0.737 176.330 177.300 -0.388 0.000 1.216 830 P CA 0.189 62.726 63.100 -0.938 0.000 0.771 830 P CB 0.517 31.544 31.700 -1.122 0.000 0.864 831 I N 5.386 125.805 120.570 -0.252 0.000 2.778 831 I HA 0.163 4.332 4.170 -0.001 0.000 0.285 831 I C -1.581 174.467 176.117 -0.115 0.000 1.236 831 I CA -2.436 58.789 61.300 -0.126 0.000 1.089 831 I CB 0.746 38.729 38.000 -0.029 0.000 1.601 831 I HN 0.225 nan 8.210 nan 0.000 0.573 832 P HA -0.095 nan 4.420 nan 0.000 0.220 832 P C 0.996 178.269 177.300 -0.045 0.000 1.148 832 P CA 1.340 64.371 63.100 -0.114 0.000 0.803 832 P CB 0.612 32.218 31.700 -0.157 0.000 0.782 833 S N -3.390 112.285 115.700 -0.042 0.000 2.560 833 S HA 0.459 4.929 4.470 -0.001 0.000 0.281 833 S C 0.592 175.279 174.600 0.145 0.000 1.075 833 S CA 0.318 58.550 58.200 0.054 0.000 1.295 833 S CB 0.429 63.680 63.200 0.085 0.000 1.156 833 S HN 0.358 nan 8.310 nan 0.000 0.627 834 G N 1.500 110.388 108.800 0.147 0.000 2.466 834 G HA2 0.562 4.522 3.960 -0.001 0.000 0.291 834 G HA3 0.562 4.522 3.960 -0.001 0.000 0.291 834 G C -1.484 173.671 174.900 0.425 0.000 1.460 834 G CA -0.434 44.881 45.100 0.359 0.000 0.791 834 G HN 0.893 nan 8.290 nan 0.000 0.505 835 M N -0.650 119.223 119.600 0.455 0.000 2.603 835 M HA 0.894 5.374 4.480 -0.001 0.000 0.275 835 M C -1.739 174.797 176.300 0.394 0.000 1.226 835 M CA -1.021 54.499 55.300 0.367 0.000 0.870 835 M CB 2.582 35.308 32.600 0.209 0.000 1.716 835 M HN 1.346 nan 8.290 nan 0.000 0.482 836 F N 0.823 120.917 119.950 0.240 0.000 2.719 836 F HA 0.883 5.410 4.527 -0.001 0.000 0.309 836 F C -2.013 173.915 175.800 0.212 0.000 1.138 836 F CA -1.227 56.853 58.000 0.134 0.000 0.943 836 F CB 0.986 39.978 39.000 -0.013 0.000 1.304 836 F HN 0.803 nan 8.300 nan 0.000 0.445 837 I N -0.103 120.724 120.570 0.429 0.000 2.785 837 I HA 0.923 5.092 4.170 -0.001 0.000 0.302 837 I C -1.462 174.843 176.117 0.313 0.000 1.069 837 I CA -0.937 60.569 61.300 0.342 0.000 1.045 837 I CB 2.449 40.562 38.000 0.188 0.000 1.236 837 I HN 0.955 nan 8.210 nan 0.000 0.429 838 E N 1.897 122.258 120.200 0.268 0.000 2.401 838 E HA 0.541 4.891 4.350 -0.001 0.000 0.280 838 E C -2.097 174.583 176.600 0.132 0.000 1.039 838 E CA -0.855 55.643 56.400 0.163 0.000 0.814 838 E CB 2.100 31.880 29.700 0.132 0.000 1.275 838 E HN 0.744 nan 8.360 nan 0.000 0.448 839 D N 0.567 121.015 120.400 0.080 0.000 2.784 839 D HA 0.497 5.137 4.640 -0.001 0.000 0.256 839 D C 0.896 177.223 176.300 0.045 0.000 1.129 839 D CA -0.208 53.832 54.000 0.068 0.000 1.102 839 D CB -0.069 40.764 40.800 0.055 0.000 1.330 839 D HN 0.454 nan 8.370 nan 0.000 0.626 840 A N -0.723 122.118 122.820 0.034 0.000 1.972 840 A HA -0.158 4.162 4.320 -0.001 0.000 0.219 840 A C 1.470 179.057 177.584 0.006 0.000 1.169 840 A CA 1.567 53.616 52.037 0.021 0.000 0.635 840 A CB -0.718 18.293 19.000 0.018 0.000 0.810 840 A HN 0.530 nan 8.150 nan 0.000 0.446 841 N N -1.846 116.856 118.700 0.004 0.000 2.317 841 N HA 0.066 4.806 4.740 -0.001 0.000 0.199 841 N C -0.446 175.054 175.510 -0.017 0.000 1.145 841 N CA 0.631 53.676 53.050 -0.008 0.000 0.882 841 N CB 0.722 39.206 38.487 -0.005 0.000 1.113 841 N HN 0.313 nan 8.380 nan 0.000 0.486 842 T N 0.671 115.221 114.554 -0.007 0.000 2.876 842 T HA 0.474 4.824 4.350 -0.001 0.000 0.289 842 T C -0.491 174.201 174.700 -0.014 0.000 1.014 842 T CA -0.662 61.428 62.100 -0.016 0.000 0.986 842 T CB 2.880 71.745 68.868 -0.006 0.000 1.021 842 T HN -0.018 nan 8.240 nan 0.000 0.458 843 R N 1.834 122.308 120.500 -0.042 0.000 2.673 843 R HA 0.719 5.058 4.340 -0.001 0.000 0.281 843 R C -2.061 174.211 176.300 -0.046 0.000 0.991 843 R CA -0.905 55.168 56.100 -0.046 0.000 0.896 843 R CB 1.367 31.574 30.300 -0.156 0.000 1.201 843 R HN 0.472 nan 8.270 nan 0.000 0.457 844 L N 2.748 123.975 121.223 0.006 0.000 2.343 844 L HA 0.498 4.837 4.340 -0.001 0.000 0.278 844 L C -1.368 175.538 176.870 0.060 0.000 0.996 844 L CA 0.091 54.930 54.840 -0.001 0.000 0.831 844 L CB 2.237 44.288 42.059 -0.013 0.000 1.232 844 L HN 0.652 nan 8.230 nan 0.000 0.413 845 T N 5.713 120.282 114.554 0.025 0.000 2.797 845 T HA 0.574 4.924 4.350 -0.001 0.000 0.279 845 T C -1.043 173.723 174.700 0.111 0.000 0.991 845 T CA -0.268 61.888 62.100 0.094 0.000 0.979 845 T CB 1.401 70.250 68.868 -0.032 0.000 0.943 845 T HN 0.453 nan 8.240 nan 0.000 0.444 846 L N 5.155 126.484 121.223 0.175 0.000 2.316 846 L HA 0.532 4.872 4.340 -0.001 0.000 0.280 846 L C -1.317 175.706 176.870 0.255 0.000 1.006 846 L CA -0.719 54.235 54.840 0.189 0.000 0.836 846 L CB 0.572 42.725 42.059 0.157 0.000 1.221 846 L HN 0.408 nan 8.230 nan 0.000 0.418 847 L N 3.828 125.203 121.223 0.254 0.000 2.343 847 L HA 0.649 4.989 4.340 -0.001 0.000 0.275 847 L C 0.563 177.585 176.870 0.253 0.000 1.056 847 L CA -0.236 54.751 54.840 0.246 0.000 0.804 847 L CB 1.443 43.615 42.059 0.188 0.000 1.203 847 L HN 0.769 nan 8.230 nan 0.000 0.440 848 T N -2.275 112.377 114.554 0.163 0.000 2.908 848 T HA 0.639 4.988 4.350 -0.001 0.000 0.290 848 T C 0.631 175.290 174.700 -0.069 0.000 1.034 848 T CA -0.264 61.835 62.100 -0.001 0.000 1.010 848 T CB 1.971 70.838 68.868 -0.002 0.000 1.068 848 T HN 0.670 nan 8.240 nan 0.000 0.481 849 G N 1.049 109.732 108.800 -0.195 0.000 3.337 849 G HA2 0.416 4.376 3.960 -0.001 0.000 0.246 849 G HA3 0.416 4.376 3.960 -0.001 0.000 0.246 849 G C 0.132 174.968 174.900 -0.107 0.000 1.131 849 G CA -0.337 44.691 45.100 -0.121 0.000 0.773 849 G HN 0.948 nan 8.290 nan 0.000 0.544 850 Q N -0.016 119.710 119.800 -0.123 0.000 2.426 850 Q HA 0.330 4.669 4.340 -0.001 0.000 0.278 850 Q C -3.531 172.428 176.000 -0.068 0.000 1.007 850 Q CA -2.332 53.426 55.803 -0.074 0.000 0.850 850 Q CB 1.979 30.694 28.738 -0.039 0.000 1.427 850 Q HN 0.001 nan 8.270 nan 0.000 0.391 851 P HA 0.469 nan 4.420 nan 0.000 0.281 851 P C -0.733 176.553 177.300 -0.024 0.000 1.252 851 P CA -0.174 62.907 63.100 -0.031 0.000 0.778 851 P CB 1.043 32.731 31.700 -0.021 0.000 0.895 852 L N 1.742 122.946 121.223 -0.032 0.000 2.491 852 L HA 0.664 5.004 4.340 -0.001 0.000 0.254 852 L C 0.718 177.604 176.870 0.026 0.000 1.048 852 L CA -1.156 53.688 54.840 0.007 0.000 0.855 852 L CB 2.087 44.135 42.059 -0.019 0.000 1.466 852 L HN 0.335 nan 8.230 nan 0.000 0.409 853 G N -0.920 107.952 108.800 0.120 0.000 2.400 853 G HA2 0.663 4.623 3.960 -0.001 0.000 0.301 853 G HA3 0.663 4.623 3.960 -0.001 0.000 0.301 853 G C -0.469 174.459 174.900 0.047 0.000 1.154 853 G CA 0.137 45.362 45.100 0.207 0.000 0.852 853 G HN 0.860 nan 8.290 nan 0.000 0.511 854 G N -1.335 107.312 108.800 -0.255 0.000 2.606 854 G HA2 0.738 4.697 3.960 -0.001 0.000 0.300 854 G HA3 0.738 4.697 3.960 -0.001 0.000 0.300 854 G C -1.036 173.410 174.900 -0.755 0.000 1.360 854 G CA 0.473 45.235 45.100 -0.563 0.000 0.783 854 G HN 1.444 nan 8.290 nan 0.000 0.484 855 S N -2.026 113.312 115.700 -0.603 0.000 2.654 855 S HA 0.664 5.133 4.470 -0.001 0.000 0.267 855 S C -1.726 172.439 174.600 -0.725 0.000 1.151 855 S CA 0.472 58.313 58.200 -0.597 0.000 0.873 855 S CB 1.024 63.941 63.200 -0.471 0.000 1.181 855 S HN 1.670 nan 8.310 nan 0.000 0.489 856 S N 1.433 116.478 115.700 -1.091 0.000 2.652 856 S HA 0.468 4.938 4.470 -0.001 0.000 0.252 856 S C 0.202 174.560 174.600 -0.404 0.000 1.219 856 S CA -0.629 57.136 58.200 -0.724 0.000 1.151 856 S CB -0.039 62.635 63.200 -0.877 0.000 1.080 856 S HN 0.566 nan 8.310 nan 0.000 0.481 857 L N 2.783 123.904 121.223 -0.170 0.000 2.554 857 L HA 0.454 4.793 4.340 -0.001 0.000 0.226 857 L C 0.952 177.813 176.870 -0.015 0.000 1.137 857 L CA 0.415 55.233 54.840 -0.036 0.000 0.863 857 L CB -0.077 42.017 42.059 0.058 0.000 0.985 857 L HN 0.674 nan 8.230 nan 0.000 0.451 858 A N -1.230 121.568 122.820 -0.036 0.000 2.606 858 A HA 0.465 4.785 4.320 -0.001 0.000 0.293 858 A C -0.477 177.100 177.584 -0.011 0.000 1.082 858 A CA -0.439 51.592 52.037 -0.010 0.000 0.685 858 A CB 1.249 20.247 19.000 -0.005 0.000 1.284 858 A HN -0.146 nan 8.150 nan 0.000 0.408 859 S N -0.052 115.654 115.700 0.010 0.000 2.546 859 S HA 0.404 4.873 4.470 -0.001 0.000 0.290 859 S C 1.472 176.084 174.600 0.019 0.000 1.290 859 S CA 1.798 60.012 58.200 0.023 0.000 1.069 859 S CB -0.161 63.056 63.200 0.028 0.000 0.846 859 S HN 2.629 nan 8.310 nan 0.000 0.495 860 G N 3.501 112.317 108.800 0.027 0.000 2.179 860 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.260 860 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.260 860 G C -0.162 174.731 174.900 -0.012 0.000 0.977 860 G CA 0.413 45.527 45.100 0.024 0.000 0.641 860 G HN 0.701 nan 8.290 nan 0.000 0.533 861 E N -0.673 119.506 120.200 -0.034 0.000 2.222 861 E HA 0.808 5.158 4.350 -0.001 0.000 0.267 861 E C -0.280 176.259 176.600 -0.102 0.000 0.963 861 E CA -0.775 55.584 56.400 -0.068 0.000 0.837 861 E CB 1.870 31.529 29.700 -0.067 0.000 1.183 861 E HN 0.211 nan 8.360 nan 0.000 0.403 862 L N 1.732 122.891 121.223 -0.107 0.000 2.482 862 L HA 0.395 4.735 4.340 -0.001 0.000 0.263 862 L C -0.983 175.825 176.870 -0.103 0.000 0.957 862 L CA -0.564 54.205 54.840 -0.119 0.000 0.836 862 L CB 2.156 44.173 42.059 -0.069 0.000 1.324 862 L HN 0.682 nan 8.230 nan 0.000 0.406 863 E N 3.711 123.842 120.200 -0.114 0.000 2.366 863 E HA 0.699 5.049 4.350 -0.001 0.000 0.278 863 E C -1.628 174.935 176.600 -0.063 0.000 0.923 863 E CA -0.832 55.536 56.400 -0.055 0.000 0.761 863 E CB 3.453 33.167 29.700 0.023 0.000 1.231 863 E HN 0.531 nan 8.360 nan 0.000 0.443 864 I N 2.547 123.121 120.570 0.007 0.000 2.571 864 I HA 0.303 4.473 4.170 -0.001 0.000 0.289 864 I C -1.298 174.894 176.117 0.124 0.000 1.115 864 I CA -1.197 60.128 61.300 0.042 0.000 1.045 864 I CB 1.920 39.957 38.000 0.062 0.000 1.238 864 I HN 0.777 nan 8.210 nan 0.000 0.424 865 M N 6.310 126.018 119.600 0.180 0.000 2.239 865 M HA 0.151 4.631 4.480 -0.001 0.000 0.348 865 M C 0.698 177.097 176.300 0.165 0.000 1.239 865 M CA 0.685 56.095 55.300 0.184 0.000 1.114 865 M CB 0.786 33.464 32.600 0.131 0.000 1.641 865 M HN 0.556 nan 8.290 nan 0.000 0.453 866 Q N 1.463 121.396 119.800 0.221 0.000 2.304 866 Q HA 0.237 4.577 4.340 -0.001 0.000 0.204 866 Q C -0.223 175.988 176.000 0.352 0.000 0.936 866 Q CA 0.836 56.833 55.803 0.324 0.000 0.878 866 Q CB 0.366 29.336 28.738 0.386 0.000 0.983 866 Q HN 0.761 nan 8.270 nan 0.000 0.516 867 D N -0.971 119.569 120.400 0.234 0.000 2.694 867 D HA 0.245 4.884 4.640 -0.001 0.000 0.260 867 D C -1.465 174.911 176.300 0.127 0.000 1.250 867 D CA -0.465 53.650 54.000 0.191 0.000 0.763 867 D CB 1.355 42.264 40.800 0.181 0.000 1.311 867 D HN 0.044 nan 8.370 nan 0.000 0.420 868 R N 0.978 121.541 120.500 0.104 0.000 2.548 868 R HA 0.651 4.991 4.340 -0.001 0.000 0.280 868 R C -1.015 175.333 176.300 0.080 0.000 1.061 868 R CA -1.027 55.118 56.100 0.075 0.000 0.915 868 R CB 2.026 32.341 30.300 0.025 0.000 1.210 868 R HN 0.287 nan 8.270 nan 0.000 0.442 869 R N 4.026 124.571 120.500 0.076 0.000 2.388 869 R HA 0.445 4.785 4.340 -0.001 0.000 0.314 869 R C -1.221 175.118 176.300 0.064 0.000 0.959 869 R CA -0.530 55.612 56.100 0.069 0.000 0.851 869 R CB 1.098 31.437 30.300 0.064 0.000 1.168 869 R HN 0.680 nan 8.270 nan 0.000 0.472 870 L N 3.759 125.018 121.223 0.060 0.000 2.341 870 L HA 0.515 4.855 4.340 -0.001 0.000 0.278 870 L C 0.890 177.789 176.870 0.048 0.000 1.005 870 L CA -0.614 54.260 54.840 0.056 0.000 0.818 870 L CB 2.038 44.131 42.059 0.057 0.000 1.259 870 L HN 0.758 nan 8.230 nan 0.000 0.418 871 A N 1.805 124.649 122.820 0.041 0.000 2.016 871 A HA 0.060 4.379 4.320 -0.001 0.000 0.217 871 A C 1.072 178.675 177.584 0.031 0.000 1.162 871 A CA 0.971 53.028 52.037 0.034 0.000 0.662 871 A CB -0.107 18.909 19.000 0.027 0.000 0.812 871 A HN 0.727 nan 8.150 nan 0.000 0.450 872 S N -0.857 114.862 115.700 0.032 0.000 2.689 872 S HA 0.517 4.987 4.470 -0.001 0.000 0.306 872 S C -0.809 173.813 174.600 0.037 0.000 1.104 872 S CA -0.635 57.582 58.200 0.029 0.000 0.973 872 S CB 1.299 64.512 63.200 0.021 0.000 1.121 872 S HN 0.235 nan 8.310 nan 0.000 0.523 873 D N -0.268 120.153 120.400 0.035 0.000 2.304 873 D HA 0.304 4.944 4.640 -0.001 0.000 0.247 873 D C -0.251 176.067 176.300 0.031 0.000 1.089 873 D CA -0.368 53.660 54.000 0.047 0.000 0.910 873 D CB 0.772 41.598 40.800 0.043 0.000 1.199 873 D HN 0.578 nan 8.370 nan 0.000 0.426 874 D N 2.261 122.682 120.400 0.034 0.000 2.587 874 D HA 0.058 4.698 4.640 -0.001 0.000 0.233 874 D C -0.346 175.908 176.300 -0.077 0.000 1.213 874 D CA -0.307 53.679 54.000 -0.023 0.000 0.827 874 D CB -0.476 40.300 40.800 -0.040 0.000 1.006 874 D HN 0.644 nan 8.370 nan 0.000 0.490 875 E N -0.068 120.112 120.200 -0.034 0.000 2.539 875 E HA -0.243 4.106 4.350 -0.001 0.000 0.253 875 E C 0.159 176.708 176.600 -0.085 0.000 1.145 875 E CA 0.231 56.608 56.400 -0.039 0.000 0.738 875 E CB -0.653 29.026 29.700 -0.035 0.000 1.308 875 E HN 0.269 nan 8.360 nan 0.000 0.409 876 R N -0.592 119.816 120.500 -0.153 0.000 2.613 876 R HA 0.203 4.543 4.340 -0.001 0.000 0.361 876 R C 1.321 177.625 176.300 0.007 0.000 1.072 876 R CA 0.577 56.491 56.100 -0.310 0.000 1.089 876 R CB 0.821 30.460 30.300 -1.102 0.000 1.343 876 R HN 0.415 nan 8.270 nan 0.000 0.571 877 G N 0.717 109.631 108.800 0.190 0.000 2.213 877 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.236 877 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.236 877 G C 0.800 175.864 174.900 0.273 0.000 0.991 877 G CA 0.280 45.612 45.100 0.388 0.000 0.629 877 G HN 0.323 nan 8.290 nan 0.000 0.517 878 L N 1.429 122.880 121.223 0.379 0.000 2.083 878 L HA 0.406 4.745 4.340 -0.001 0.000 0.209 878 L C 2.310 179.188 176.870 0.013 0.000 1.083 878 L CA 2.930 57.890 54.840 0.200 0.000 0.752 878 L CB -0.697 41.593 42.059 0.386 0.000 0.899 878 L HN 1.755 nan 8.230 nan 0.000 0.433 879 G N -0.754 108.078 108.800 0.052 0.000 2.143 879 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.248 879 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.248 879 G C 0.114 175.027 174.900 0.022 0.000 0.991 879 G CA 0.632 45.742 45.100 0.015 0.000 0.689 879 G HN 0.781 nan 8.290 nan 0.000 0.522 880 Q N -2.045 117.783 119.800 0.047 0.000 2.633 880 Q HA 0.666 5.005 4.340 -0.001 0.000 0.289 880 Q C 0.301 176.337 176.000 0.061 0.000 0.940 880 Q CA -0.575 55.255 55.803 0.044 0.000 0.785 880 Q CB 0.457 29.218 28.738 0.038 0.000 1.467 880 Q HN 0.974 nan 8.270 nan 0.000 0.401 881 G N -0.015 108.816 108.800 0.052 0.000 2.574 881 G HA2 0.545 4.505 3.960 -0.001 0.000 0.248 881 G HA3 0.545 4.505 3.960 -0.001 0.000 0.248 881 G C -0.946 173.990 174.900 0.060 0.000 1.422 881 G CA -0.684 44.449 45.100 0.055 0.000 1.051 881 G HN 0.438 nan 8.290 nan 0.000 0.560 882 V N 0.895 120.845 119.914 0.060 0.000 2.284 882 V HA 0.337 4.456 4.120 -0.001 0.000 0.274 882 V C 0.070 176.203 176.094 0.066 0.000 1.023 882 V CA -0.143 62.199 62.300 0.069 0.000 0.808 882 V CB 0.840 32.709 31.823 0.076 0.000 1.035 882 V HN 0.519 nan 8.190 nan 0.000 0.445 883 L N 3.089 124.348 121.223 0.061 0.000 3.122 883 L HA 0.326 4.666 4.340 -0.001 0.000 0.274 883 L C 0.578 177.479 176.870 0.052 0.000 1.222 883 L CA 0.043 54.914 54.840 0.052 0.000 1.028 883 L CB 0.563 42.647 42.059 0.040 0.000 1.386 883 L HN 0.674 nan 8.230 nan 0.000 0.578 884 D N -2.136 118.304 120.400 0.066 0.000 2.615 884 D HA 0.057 4.696 4.640 -0.001 0.000 0.236 884 D C 0.081 176.425 176.300 0.073 0.000 1.233 884 D CA -0.413 53.626 54.000 0.065 0.000 0.829 884 D CB -0.299 40.547 40.800 0.077 0.000 1.024 884 D HN 0.044 nan 8.370 nan 0.000 0.490 885 N N 1.857 120.598 118.700 0.068 0.000 2.441 885 N HA 0.081 4.821 4.740 -0.001 0.000 0.251 885 N C 0.220 175.744 175.510 0.023 0.000 1.242 885 N CA 0.509 53.600 53.050 0.069 0.000 0.898 885 N CB 0.970 39.497 38.487 0.067 0.000 1.100 885 N HN 0.420 nan 8.380 nan 0.000 0.443 886 K N 0.161 120.561 120.400 -0.000 0.000 2.508 886 K HA 0.530 4.850 4.320 -0.001 0.000 0.260 886 K C -3.198 173.373 176.600 -0.050 0.000 0.949 886 K CA -1.921 54.319 56.287 -0.080 0.000 0.834 886 K CB 1.360 33.721 32.500 -0.231 0.000 1.365 886 K HN 0.089 nan 8.250 nan 0.000 0.437 887 P HA -0.069 nan 4.420 nan 0.000 0.262 887 P C -1.045 176.271 177.300 0.027 0.000 1.182 887 P CA -0.349 62.731 63.100 -0.033 0.000 0.761 887 P CB 0.669 32.337 31.700 -0.052 0.000 0.795 888 V N 5.178 125.082 119.914 -0.017 0.000 2.841 888 V HA 0.498 4.618 4.120 -0.001 0.000 0.310 888 V C -1.428 174.541 176.094 -0.208 0.000 1.090 888 V CA -1.089 61.180 62.300 -0.051 0.000 0.930 888 V CB 2.195 33.970 31.823 -0.079 0.000 1.014 888 V HN 0.269 nan 8.190 nan 0.000 0.425 889 L N 6.797 127.921 121.223 -0.166 0.000 2.272 889 L HA 0.607 4.947 4.340 -0.001 0.000 0.284 889 L C -0.451 176.401 176.870 -0.031 0.000 1.045 889 L CA 0.135 54.914 54.840 -0.101 0.000 0.842 889 L CB 0.408 42.430 42.059 -0.061 0.000 1.224 889 L HN 0.703 nan 8.230 nan 0.000 0.430 890 H N 5.772 124.874 119.070 0.052 0.000 2.548 890 H HA 0.495 5.051 4.556 -0.000 0.000 0.331 890 H C -0.114 175.165 175.328 -0.081 0.000 1.093 890 H CA -0.221 55.813 56.048 -0.024 0.000 1.367 890 H CB 1.317 31.138 29.762 0.097 0.000 1.455 890 H HN 0.701 nan 8.280 nan 0.000 0.519 891 I N 0.276 120.735 120.570 -0.185 0.000 2.646 891 I HA 0.607 4.777 4.170 -0.001 0.000 0.299 891 I C -1.390 174.468 176.117 -0.432 0.000 1.036 891 I CA -0.925 60.290 61.300 -0.143 0.000 1.074 891 I CB 2.078 40.052 38.000 -0.043 0.000 1.258 891 I HN 0.235 nan 8.210 nan 0.000 0.430 892 Y N 2.577 122.931 120.300 0.090 0.000 2.689 892 Y HA 0.730 5.280 4.550 -0.001 0.000 0.333 892 Y C -0.672 175.285 175.900 0.096 0.000 1.190 892 Y CA -1.135 57.025 58.100 0.100 0.000 1.063 892 Y CB 1.385 39.925 38.460 0.134 0.000 1.294 892 Y HN 0.421 nan 8.280 nan 0.000 0.466 893 R N 1.319 121.993 120.500 0.290 0.000 2.574 893 R HA 0.554 4.893 4.340 -0.001 0.000 0.288 893 R C -2.064 174.348 176.300 0.187 0.000 1.004 893 R CA -0.987 55.227 56.100 0.190 0.000 0.895 893 R CB 2.448 32.822 30.300 0.124 0.000 1.191 893 R HN 0.637 nan 8.270 nan 0.000 0.444 894 L N 3.101 124.414 121.223 0.151 0.000 2.298 894 L HA 0.485 4.824 4.340 -0.001 0.000 0.284 894 L C -1.119 175.781 176.870 0.050 0.000 1.013 894 L CA -0.595 54.308 54.840 0.104 0.000 0.824 894 L CB 1.818 43.942 42.059 0.108 0.000 1.221 894 L HN 0.328 nan 8.230 nan 0.000 0.418 895 V N 6.181 126.109 119.914 0.024 0.000 2.350 895 V HA 0.418 4.538 4.120 -0.001 0.000 0.285 895 V C -0.420 175.651 176.094 -0.039 0.000 1.014 895 V CA -0.634 61.660 62.300 -0.009 0.000 0.831 895 V CB 1.403 33.214 31.823 -0.020 0.000 1.000 895 V HN 0.632 nan 8.190 nan 0.000 0.433 896 L N 5.476 126.672 121.223 -0.045 0.000 2.282 896 L HA 0.716 5.056 4.340 -0.001 0.000 0.288 896 L C -0.194 176.639 176.870 -0.061 0.000 1.033 896 L CA 0.538 55.343 54.840 -0.057 0.000 0.807 896 L CB 1.079 43.102 42.059 -0.060 0.000 1.209 896 L HN 0.763 nan 8.230 nan 0.000 0.423 897 E N 3.742 123.899 120.200 -0.073 0.000 2.383 897 E HA 0.458 4.808 4.350 -0.001 0.000 0.275 897 E C -1.266 175.291 176.600 -0.073 0.000 0.918 897 E CA -1.185 55.169 56.400 -0.076 0.000 0.764 897 E CB 1.618 31.258 29.700 -0.101 0.000 1.252 897 E HN 0.269 nan 8.360 nan 0.000 0.449 898 K N 1.380 121.742 120.400 -0.064 0.000 2.234 898 K HA 0.234 4.554 4.320 -0.001 0.000 0.282 898 K C 0.286 176.845 176.600 -0.067 0.000 1.039 898 K CA -0.216 56.037 56.287 -0.056 0.000 0.928 898 K CB 1.455 33.927 32.500 -0.046 0.000 1.039 898 K HN 0.485 nan 8.250 nan 0.000 0.470 899 V N -0.346 119.529 119.914 -0.065 0.000 3.166 899 V HA 0.043 4.163 4.120 -0.001 0.000 0.332 899 V C 1.059 177.119 176.094 -0.056 0.000 1.434 899 V CA -0.356 61.898 62.300 -0.077 0.000 1.121 899 V CB -0.221 31.537 31.823 -0.108 0.000 1.062 899 V HN 0.635 nan 8.190 nan 0.000 0.489 900 N N 1.152 119.828 118.700 -0.041 0.000 2.453 900 N HA -0.144 4.595 4.740 -0.001 0.000 0.183 900 N C 0.952 176.444 175.510 -0.031 0.000 1.041 900 N CA 1.467 54.500 53.050 -0.029 0.000 0.900 900 N CB -0.458 38.017 38.487 -0.021 0.000 0.961 900 N HN 0.576 nan 8.380 nan 0.000 0.443 901 N N -0.095 118.581 118.700 -0.039 0.000 2.236 901 N HA 0.083 4.823 4.740 -0.001 0.000 0.196 901 N C -0.322 175.160 175.510 -0.047 0.000 1.114 901 N CA -0.148 52.879 53.050 -0.039 0.000 0.859 901 N CB 0.290 38.754 38.487 -0.038 0.000 0.982 901 N HN 0.183 nan 8.380 nan 0.000 0.493 902 c N 1.409 119.975 118.600 -0.057 0.000 2.601 902 c HA 0.272 4.842 4.570 -0.001 0.000 0.409 902 c C 1.097 175.151 174.090 -0.060 0.000 1.293 902 c CA -0.873 55.414 56.329 -0.069 0.000 2.101 902 c CB 0.855 43.310 42.510 -0.092 0.000 2.639 902 c HN 0.007 nan 8.230 nan 0.000 0.592 903 V N 5.483 125.358 119.914 -0.065 0.000 2.370 903 V HA 0.205 4.325 4.120 -0.001 0.000 0.257 903 V C 0.637 176.693 176.094 -0.062 0.000 1.064 903 V CA 0.349 62.615 62.300 -0.057 0.000 0.975 903 V CB -0.695 31.090 31.823 -0.064 0.000 1.067 903 V HN 0.794 nan 8.190 nan 0.000 0.485 904 R N 4.563 125.039 120.500 -0.041 0.000 2.674 904 R HA 0.551 4.891 4.340 -0.001 0.000 0.266 904 R C -2.438 173.857 176.300 -0.009 0.000 1.016 904 R CA -1.823 54.261 56.100 -0.027 0.000 1.062 904 R CB 0.969 31.257 30.300 -0.020 0.000 1.142 904 R HN 0.396 nan 8.270 nan 0.000 0.517 905 P HA -0.016 nan 4.420 nan 0.000 0.272 905 P C -0.415 176.930 177.300 0.075 0.000 1.230 905 P CA -0.262 62.834 63.100 -0.008 0.000 0.788 905 P CB 0.638 32.254 31.700 -0.140 0.000 0.949 906 S N 0.906 116.676 115.700 0.117 0.000 2.606 906 S HA 0.076 4.546 4.470 -0.001 0.000 0.257 906 S C 1.072 175.755 174.600 0.137 0.000 1.327 906 S CA -0.108 58.160 58.200 0.113 0.000 0.984 906 S CB 0.302 63.569 63.200 0.111 0.000 0.941 906 S HN 0.306 nan 8.310 nan 0.000 0.576 907 K N 0.141 120.604 120.400 0.104 0.000 2.209 907 K HA 0.048 4.367 4.320 -0.001 0.000 0.204 907 K C 1.585 178.244 176.600 0.099 0.000 1.048 907 K CA 1.230 57.576 56.287 0.099 0.000 0.940 907 K CB -0.536 32.006 32.500 0.069 0.000 0.729 907 K HN 0.529 nan 8.250 nan 0.000 0.451 908 L N 0.207 121.487 121.223 0.096 0.000 2.558 908 L HA 0.007 4.346 4.340 -0.001 0.000 0.225 908 L C 1.028 177.946 176.870 0.081 0.000 1.128 908 L CA -0.159 54.721 54.840 0.067 0.000 0.868 908 L CB -0.260 41.824 42.059 0.042 0.000 1.006 908 L HN 0.267 nan 8.230 nan 0.000 0.454 909 H N 1.935 121.044 119.070 0.066 0.000 2.803 909 H HA 0.080 4.636 4.556 -0.000 0.000 0.330 909 H C -1.778 173.594 175.328 0.072 0.000 1.057 909 H CA -1.370 54.731 56.048 0.088 0.000 1.458 909 H CB 1.760 31.602 29.762 0.134 0.000 1.470 909 H HN -0.093 nan 8.280 nan 0.000 0.560 910 P HA 0.132 nan 4.420 nan 0.000 0.245 910 P C -0.486 176.924 177.300 0.182 0.000 1.206 910 P CA 0.262 63.395 63.100 0.055 0.000 0.781 910 P CB 0.539 32.197 31.700 -0.070 0.000 0.994 911 A N -0.365 122.756 122.820 0.502 0.000 2.288 911 A HA 0.781 5.100 4.320 -0.001 0.000 0.328 911 A C 0.193 177.866 177.584 0.147 0.000 1.123 911 A CA -0.360 51.845 52.037 0.280 0.000 0.861 911 A CB 1.019 20.193 19.000 0.289 0.000 1.272 911 A HN 0.136 nan 8.150 nan 0.000 0.490 912 G N -1.441 107.292 108.800 -0.111 0.000 2.660 912 G HA2 0.617 4.576 3.960 -0.001 0.000 0.294 912 G HA3 0.617 4.576 3.960 -0.001 0.000 0.294 912 G C -1.849 172.709 174.900 -0.571 0.000 1.369 912 G CA -0.352 44.629 45.100 -0.199 0.000 0.912 912 G HN 0.532 nan 8.290 nan 0.000 0.479 913 Y N -0.419 119.844 120.300 -0.061 0.000 2.524 913 Y HA 0.526 5.076 4.550 -0.001 0.000 0.347 913 Y C 0.470 176.152 175.900 -0.364 0.000 1.005 913 Y CA -0.929 57.077 58.100 -0.158 0.000 1.025 913 Y CB 2.122 40.480 38.460 -0.170 0.000 1.275 913 Y HN 0.352 nan 8.280 nan 0.000 0.460 914 L N 1.836 122.913 121.223 -0.244 0.000 2.466 914 L HA 0.417 4.756 4.340 -0.001 0.000 0.257 914 L C 0.640 177.373 176.870 -0.229 0.000 1.189 914 L CA -0.561 54.057 54.840 -0.371 0.000 0.813 914 L CB 0.773 42.679 42.059 -0.255 0.000 1.118 914 L HN 0.770 nan 8.230 nan 0.000 0.471 915 T N -3.110 111.303 114.554 -0.235 0.000 2.881 915 T HA 0.098 4.447 4.350 -0.001 0.000 0.278 915 T C 1.053 175.712 174.700 -0.068 0.000 0.982 915 T CA -0.220 61.788 62.100 -0.155 0.000 0.989 915 T CB 1.580 70.349 68.868 -0.166 0.000 1.058 915 T HN 0.583 nan 8.240 nan 0.000 0.529 916 S N 0.391 116.064 115.700 -0.044 0.000 2.359 916 S HA -0.150 4.320 4.470 -0.001 0.000 0.224 916 S C 2.338 176.959 174.600 0.034 0.000 1.035 916 S CA 1.537 59.744 58.200 0.012 0.000 1.018 916 S CB -1.243 61.952 63.200 -0.010 0.000 0.876 916 S HN 0.905 nan 8.310 nan 0.000 0.448 917 A N 1.325 124.140 122.820 -0.007 0.000 1.902 917 A HA 0.184 4.504 4.320 -0.001 0.000 0.217 917 A C 2.495 180.081 177.584 0.004 0.000 1.181 917 A CA 1.959 53.993 52.037 -0.005 0.000 0.623 917 A CB -1.421 17.564 19.000 -0.024 0.000 0.818 917 A HN 0.811 nan 8.150 nan 0.000 0.443 918 A N -1.339 121.472 122.820 -0.016 0.000 1.898 918 A HA -0.202 4.118 4.320 -0.001 0.000 0.216 918 A C 2.135 179.760 177.584 0.068 0.000 1.181 918 A CA 1.697 53.729 52.037 -0.008 0.000 0.620 918 A CB -0.965 17.973 19.000 -0.103 0.000 0.819 918 A HN 0.790 nan 8.150 nan 0.000 0.442 919 H N -0.134 118.934 119.070 -0.003 0.000 2.357 919 H HA -0.052 4.503 4.556 -0.000 0.000 0.301 919 H C 1.873 177.248 175.328 0.079 0.000 1.082 919 H CA 1.775 57.858 56.048 0.058 0.000 1.342 919 H CB -0.031 29.761 29.762 0.050 0.000 1.389 919 H HN 0.432 nan 8.280 nan 0.000 0.511 920 K N 0.193 120.558 120.400 -0.058 0.000 2.097 920 K HA -0.068 4.252 4.320 -0.001 0.000 0.206 920 K C 2.360 178.929 176.600 -0.051 0.000 1.049 920 K CA 0.809 57.041 56.287 -0.091 0.000 0.933 920 K CB -0.021 32.475 32.500 -0.007 0.000 0.717 920 K HN 0.268 nan 8.250 nan 0.000 0.442 921 A N 0.793 123.608 122.820 -0.007 0.000 1.933 921 A HA -0.172 4.148 4.320 -0.001 0.000 0.218 921 A C 2.201 179.799 177.584 0.022 0.000 1.175 921 A CA 1.954 54.002 52.037 0.019 0.000 0.628 921 A CB -0.575 18.450 19.000 0.041 0.000 0.814 921 A HN 0.265 nan 8.150 nan 0.000 0.444 922 S N -0.674 115.043 115.700 0.028 0.000 2.368 922 S HA -0.218 4.252 4.470 -0.001 0.000 0.225 922 S C 2.139 176.742 174.600 0.005 0.000 1.030 922 S CA 1.644 59.879 58.200 0.059 0.000 0.999 922 S CB -0.388 62.896 63.200 0.141 0.000 0.844 922 S HN 0.679 nan 8.310 nan 0.000 0.459 923 Q N 0.617 120.373 119.800 -0.073 0.000 2.170 923 Q HA -0.087 4.253 4.340 -0.001 0.000 0.203 923 Q C 2.467 178.438 176.000 -0.050 0.000 0.976 923 Q CA 1.649 57.411 55.803 -0.068 0.000 0.858 923 Q CB -0.301 28.369 28.738 -0.113 0.000 0.907 923 Q HN 0.800 nan 8.270 nan 0.000 0.433 924 S N 0.166 115.844 115.700 -0.038 0.000 2.423 924 S HA -0.057 4.413 4.470 -0.001 0.000 0.231 924 S C 1.849 176.415 174.600 -0.056 0.000 1.014 924 S CA 0.601 58.778 58.200 -0.039 0.000 0.965 924 S CB -0.187 63.005 63.200 -0.015 0.000 0.785 924 S HN 0.274 nan 8.310 nan 0.000 0.495 925 L N -0.001 121.198 121.223 -0.040 0.000 2.168 925 L HA 0.226 4.565 4.340 -0.001 0.000 0.203 925 L C 2.478 179.298 176.870 -0.083 0.000 1.078 925 L CA 0.721 55.532 54.840 -0.047 0.000 0.780 925 L CB -0.370 41.681 42.059 -0.014 0.000 0.939 925 L HN 0.291 nan 8.230 nan 0.000 0.451 926 L N -1.141 120.040 121.223 -0.071 0.000 2.162 926 L HA 0.015 4.355 4.340 -0.001 0.000 0.205 926 L C 0.210 176.983 176.870 -0.161 0.000 1.086 926 L CA 0.811 55.596 54.840 -0.092 0.000 0.778 926 L CB 0.088 42.119 42.059 -0.046 0.000 0.928 926 L HN 0.194 nan 8.230 nan 0.000 0.446 927 D N 0.408 120.708 120.400 -0.168 0.000 2.613 927 D HA 0.231 4.871 4.640 -0.001 0.000 0.312 927 D C -2.333 173.797 176.300 -0.283 0.000 1.202 927 D CA -0.970 52.884 54.000 -0.243 0.000 0.825 927 D CB 1.260 42.095 40.800 0.057 0.000 1.113 927 D HN 0.072 nan 8.370 nan 0.000 0.502 928 P HA 0.139 nan 4.420 nan 0.000 0.274 928 P C 0.504 177.700 177.300 -0.172 0.000 1.256 928 P CA -0.501 62.459 63.100 -0.233 0.000 0.795 928 P CB 1.619 33.188 31.700 -0.219 0.000 1.038 929 L N 0.808 121.976 121.223 -0.091 0.000 2.461 929 L HA 0.124 4.464 4.340 -0.001 0.000 0.272 929 L C 0.872 177.740 176.870 -0.004 0.000 1.197 929 L CA 0.325 55.151 54.840 -0.023 0.000 0.836 929 L CB -0.210 41.844 42.059 -0.009 0.000 1.105 929 L HN 0.279 nan 8.230 nan 0.000 0.477 930 D N 2.855 123.318 120.400 0.105 0.000 2.175 930 D HA 0.316 4.956 4.640 -0.001 0.000 0.248 930 D C -0.398 175.925 176.300 0.038 0.000 1.047 930 D CA -0.333 53.682 54.000 0.025 0.000 0.883 930 D CB 1.723 42.589 40.800 0.110 0.000 1.180 930 D HN 0.351 nan 8.370 nan 0.000 0.438 931 K N 1.642 121.947 120.400 -0.158 0.000 2.323 931 K HA 0.449 4.769 4.320 -0.001 0.000 0.259 931 K C -0.924 175.631 176.600 -0.075 0.000 0.947 931 K CA -0.636 55.678 56.287 0.046 0.000 0.819 931 K CB 1.446 33.911 32.500 -0.058 0.000 1.109 931 K HN 0.210 nan 8.250 nan 0.000 0.429 932 F N 2.640 122.762 119.950 0.285 0.000 2.495 932 F HA 0.503 5.030 4.527 -0.001 0.000 0.327 932 F C 0.100 176.180 175.800 0.468 0.000 1.103 932 F CA -0.952 57.215 58.000 0.278 0.000 0.949 932 F CB 1.231 40.230 39.000 -0.001 0.000 1.142 932 F HN 0.200 nan 8.300 nan 0.000 0.457 933 I N 3.352 124.305 120.570 0.639 0.000 2.362 933 I HA 0.218 4.388 4.170 -0.001 0.000 0.289 933 I C -0.603 175.801 176.117 0.478 0.000 0.994 933 I CA -0.845 60.761 61.300 0.510 0.000 1.158 933 I CB 1.297 39.501 38.000 0.339 0.000 1.315 933 I HN 0.423 nan 8.210 nan 0.000 0.451 934 F N 5.623 125.739 119.950 0.276 0.000 2.578 934 F HA 0.171 4.697 4.527 -0.001 0.000 0.376 934 F C 1.226 176.952 175.800 -0.124 0.000 1.085 934 F CA 0.204 58.069 58.000 -0.226 0.000 1.260 934 F CB 1.135 40.037 39.000 -0.164 0.000 1.095 934 F HN 0.625 nan 8.300 nan 0.000 0.573 935 A N 4.642 126.901 122.820 -0.934 0.000 1.854 935 A HA -0.019 4.301 4.320 -0.001 0.000 0.214 935 A C 1.071 178.383 177.584 -0.452 0.000 1.192 935 A CA 0.725 52.415 52.037 -0.579 0.000 0.611 935 A CB -0.656 17.980 19.000 -0.608 0.000 0.832 935 A HN 0.803 nan 8.150 nan 0.000 0.442 936 E N -0.264 119.508 120.200 -0.713 0.000 2.421 936 E HA 0.082 4.432 4.350 -0.001 0.000 0.253 936 E C 0.397 177.122 176.600 0.207 0.000 1.277 936 E CA -0.291 56.029 56.400 -0.135 0.000 0.968 936 E CB 0.188 29.898 29.700 0.016 0.000 1.040 936 E HN 0.316 nan 8.360 nan 0.000 0.512 937 N N 0.498 119.329 118.700 0.218 0.000 2.300 937 N HA -0.079 4.660 4.740 -0.001 0.000 0.179 937 N C -0.234 175.427 175.510 0.250 0.000 1.016 937 N CA 0.877 54.054 53.050 0.212 0.000 0.876 937 N CB 0.226 38.791 38.487 0.130 0.000 0.979 937 N HN 0.446 nan 8.380 nan 0.000 0.432 938 E N -0.637 119.734 120.200 0.285 0.000 2.256 938 E HA 0.113 4.463 4.350 -0.001 0.000 0.268 938 E C -1.545 175.125 176.600 0.117 0.000 0.877 938 E CA -0.695 55.787 56.400 0.138 0.000 0.757 938 E CB 1.312 31.063 29.700 0.084 0.000 1.183 938 E HN -0.009 nan 8.360 nan 0.000 0.418 939 W N 8.057 129.014 121.300 -0.571 0.000 2.298 939 W HA 0.402 5.062 4.660 -0.001 0.000 0.327 939 W C -1.280 175.035 176.519 -0.340 0.000 0.988 939 W CA -1.455 55.420 57.345 -0.784 0.000 1.448 939 W CB -0.138 28.384 29.460 -1.563 0.000 1.243 939 W HN 0.464 nan 8.180 nan 0.000 0.388 940 I N 5.917 126.580 120.570 0.155 0.000 2.556 940 I HA 0.191 4.360 4.170 -0.001 0.000 0.284 940 I C 1.520 177.613 176.117 -0.040 0.000 1.114 940 I CA 1.230 62.545 61.300 0.024 0.000 1.418 940 I CB 0.459 38.507 38.000 0.080 0.000 1.394 940 I HN 0.786 nan 8.210 nan 0.000 0.552 941 G N 4.419 113.114 108.800 -0.176 0.000 2.148 941 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.254 941 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.254 941 G C 0.415 175.063 174.900 -0.420 0.000 0.981 941 G CA -0.040 44.936 45.100 -0.207 0.000 0.670 941 G HN 0.998 nan 8.290 nan 0.000 0.528 942 A N -0.393 121.925 122.820 -0.836 0.000 2.540 942 A HA 0.558 4.878 4.320 -0.001 0.000 0.239 942 A C 0.589 177.745 177.584 -0.713 0.000 1.061 942 A CA 0.773 51.952 52.037 -1.431 0.000 0.758 942 A CB 0.250 18.080 19.000 -1.949 0.000 0.991 942 A HN 0.630 nan 8.150 nan 0.000 0.502 943 Q N 0.817 120.275 119.800 -0.570 0.000 2.297 943 Q HA 0.518 4.857 4.340 -0.001 0.000 0.268 943 Q C 1.097 176.972 176.000 -0.209 0.000 1.045 943 Q CA -0.183 55.453 55.803 -0.280 0.000 0.861 943 Q CB 1.880 30.522 28.738 -0.160 0.000 1.344 943 Q HN 0.806 nan 8.270 nan 0.000 0.452 944 G N 0.201 108.915 108.800 -0.142 0.000 2.683 944 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.213 944 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.213 944 G C 0.185 175.050 174.900 -0.058 0.000 1.142 944 G CA 0.527 45.559 45.100 -0.114 0.000 0.793 944 G HN 0.461 nan 8.290 nan 0.000 0.534 945 Q N -1.415 118.369 119.800 -0.027 0.000 2.527 945 Q HA 0.520 4.859 4.340 -0.001 0.000 0.280 945 Q C -2.402 173.616 176.000 0.029 0.000 0.977 945 Q CA -0.937 54.867 55.803 0.003 0.000 0.837 945 Q CB 1.999 30.725 28.738 -0.019 0.000 1.454 945 Q HN 0.028 nan 8.270 nan 0.000 0.387 946 F N 1.198 121.049 119.950 -0.165 0.000 2.569 946 F HA 0.631 5.158 4.527 -0.001 0.000 0.312 946 F C 0.465 176.002 175.800 -0.437 0.000 1.109 946 F CA 0.447 58.284 58.000 -0.271 0.000 0.919 946 F CB 2.100 40.951 39.000 -0.249 0.000 1.211 946 F HN 0.698 nan 8.300 nan 0.000 0.446 947 G N 3.094 110.831 108.800 -1.772 0.000 2.136 947 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.242 947 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.242 947 G C 1.031 175.245 174.900 -1.143 0.000 0.989 947 G CA 0.335 44.146 45.100 -2.149 0.000 0.682 947 G HN 1.604 nan 8.290 nan 0.000 0.522 948 G N 1.021 109.447 108.800 -0.624 0.000 2.470 948 G HA2 0.004 3.964 3.960 -0.001 0.000 0.220 948 G HA3 0.004 3.964 3.960 -0.001 0.000 0.220 948 G C 1.261 176.088 174.900 -0.122 0.000 1.121 948 G CA 1.689 46.651 45.100 -0.230 0.000 0.766 948 G HN 0.827 nan 8.290 nan 0.000 0.553 949 D N -0.620 119.634 120.400 -0.244 0.000 2.349 949 D HA 0.002 4.642 4.640 -0.001 0.000 0.214 949 D C -0.026 176.282 176.300 0.012 0.000 1.063 949 D CA -0.411 53.544 54.000 -0.075 0.000 0.847 949 D CB -0.423 40.339 40.800 -0.062 0.000 0.933 949 D HN 0.167 nan 8.370 nan 0.000 0.513 950 H N 1.853 120.810 119.070 -0.188 0.000 2.848 950 H HA 0.310 4.866 4.556 -0.001 0.000 0.341 950 H C -1.986 173.300 175.328 -0.070 0.000 1.060 950 H CA -2.011 53.948 56.048 -0.147 0.000 1.444 950 H CB 0.036 29.662 29.762 -0.227 0.000 1.446 950 H HN 0.032 nan 8.280 nan 0.000 0.583 951 P HA -0.014 nan 4.420 nan 0.000 0.268 951 P C -0.201 177.150 177.300 0.085 0.000 1.204 951 P CA 0.010 63.157 63.100 0.078 0.000 0.768 951 P CB 0.678 32.404 31.700 0.042 0.000 0.842 952 S N 2.719 118.498 115.700 0.131 0.000 2.473 952 S HA 0.546 5.015 4.470 -0.001 0.000 0.312 952 S C 0.148 174.830 174.600 0.138 0.000 1.087 952 S CA -0.599 57.704 58.200 0.172 0.000 1.077 952 S CB -0.724 62.678 63.200 0.337 0.000 1.065 952 S HN 0.485 nan 8.310 nan 0.000 0.510 953 A N 4.548 127.450 122.820 0.136 0.000 2.346 953 A HA 0.446 4.766 4.320 -0.001 0.000 0.252 953 A C 0.610 178.254 177.584 0.099 0.000 1.089 953 A CA -0.532 51.569 52.037 0.108 0.000 0.797 953 A CB 0.176 19.243 19.000 0.111 0.000 1.047 953 A HN 0.915 nan 8.150 nan 0.000 0.494 954 R N 0.209 120.744 120.500 0.058 0.000 2.638 954 R HA -0.039 4.301 4.340 -0.001 0.000 0.268 954 R C 1.462 177.779 176.300 0.028 0.000 1.006 954 R CA 0.897 57.013 56.100 0.026 0.000 1.088 954 R CB 0.329 30.636 30.300 0.012 0.000 0.950 954 R HN 0.943 nan 8.270 nan 0.000 0.419 955 E N 2.259 122.440 120.200 -0.031 0.000 2.219 955 E HA -0.264 4.086 4.350 -0.001 0.000 0.198 955 E C 0.313 176.965 176.600 0.086 0.000 0.998 955 E CA 1.815 58.181 56.400 -0.055 0.000 0.818 955 E CB -0.098 29.553 29.700 -0.080 0.000 0.741 955 E HN 0.786 nan 8.360 nan 0.000 0.477 956 D N 0.525 120.941 120.400 0.027 0.000 2.340 956 D HA 0.011 4.651 4.640 -0.001 0.000 0.220 956 D C 0.330 176.643 176.300 0.021 0.000 1.039 956 D CA -0.156 53.825 54.000 -0.032 0.000 0.866 956 D CB -0.027 40.695 40.800 -0.130 0.000 0.913 956 D HN 0.191 nan 8.370 nan 0.000 0.523 957 L N 0.722 122.000 121.223 0.093 0.000 2.309 957 L HA 0.558 4.898 4.340 -0.001 0.000 0.282 957 L C -1.208 175.792 176.870 0.216 0.000 1.036 957 L CA -0.439 54.470 54.840 0.115 0.000 0.806 957 L CB 1.724 43.835 42.059 0.087 0.000 1.220 957 L HN -0.196 nan 8.230 nan 0.000 0.429 958 D N 2.346 122.892 120.400 0.244 0.000 2.732 958 D HA 0.390 5.029 4.640 -0.001 0.000 0.229 958 D C -1.449 175.016 176.300 0.274 0.000 1.152 958 D CA -0.269 53.900 54.000 0.281 0.000 0.854 958 D CB 2.402 43.416 40.800 0.357 0.000 1.590 958 D HN 0.235 nan 8.370 nan 0.000 0.468 959 V N 3.448 123.503 119.914 0.235 0.000 2.247 959 V HA 0.142 4.261 4.120 -0.001 0.000 0.262 959 V C 1.237 177.470 176.094 0.233 0.000 1.096 959 V CA -0.076 62.373 62.300 0.248 0.000 0.895 959 V CB 0.445 32.402 31.823 0.224 0.000 1.141 959 V HN 0.629 nan 8.190 nan 0.000 0.478 960 S N 2.914 118.780 115.700 0.277 0.000 2.383 960 S HA -0.046 4.424 4.470 -0.001 0.000 0.229 960 S C 0.677 175.338 174.600 0.101 0.000 1.030 960 S CA 1.007 59.325 58.200 0.198 0.000 1.002 960 S CB 0.112 63.488 63.200 0.294 0.000 0.829 960 S HN 0.499 nan 8.310 nan 0.000 0.467 961 V N 1.210 121.221 119.914 0.162 0.000 2.808 961 V HA 0.527 4.646 4.120 -0.001 0.000 0.308 961 V C -0.816 175.345 176.094 0.112 0.000 1.099 961 V CA -0.560 61.809 62.300 0.116 0.000 0.920 961 V CB 1.960 33.871 31.823 0.147 0.000 1.014 961 V HN 0.362 nan 8.190 nan 0.000 0.425 962 M N 5.488 125.069 119.600 -0.032 0.000 2.151 962 M HA 0.672 5.152 4.480 -0.001 0.000 0.290 962 M C -1.135 174.988 176.300 -0.295 0.000 0.965 962 M CA -0.480 54.661 55.300 -0.265 0.000 0.930 962 M CB 1.483 33.928 32.600 -0.260 0.000 1.560 962 M HN 0.772 nan 8.290 nan 0.000 0.438 963 R N 4.064 124.324 120.500 -0.400 0.000 2.510 963 R HA 0.433 4.772 4.340 -0.001 0.000 0.287 963 R C -1.470 174.606 176.300 -0.374 0.000 1.084 963 R CA -0.696 55.221 56.100 -0.304 0.000 0.934 963 R CB 1.905 32.112 30.300 -0.156 0.000 1.201 963 R HN 0.899 nan 8.270 nan 0.000 0.431 964 R N 4.449 124.783 120.500 -0.276 0.000 2.442 964 R HA 0.131 4.470 4.340 -0.001 0.000 0.291 964 R C 0.264 176.456 176.300 -0.181 0.000 1.069 964 R CA 0.086 56.053 56.100 -0.222 0.000 1.022 964 R CB 0.598 30.825 30.300 -0.123 0.000 0.976 964 R HN 0.705 nan 8.270 nan 0.000 0.443 965 L N 3.063 124.173 121.223 -0.189 0.000 2.585 965 L HA 0.138 4.478 4.340 -0.001 0.000 0.226 965 L C 0.426 177.249 176.870 -0.079 0.000 1.113 965 L CA 0.030 54.783 54.840 -0.146 0.000 0.876 965 L CB 0.262 42.203 42.059 -0.195 0.000 1.072 965 L HN 0.710 nan 8.230 nan 0.000 0.468 966 T N -2.875 111.642 114.554 -0.061 0.000 2.885 966 T HA 0.457 4.806 4.350 -0.001 0.000 0.285 966 T C -0.246 174.449 174.700 -0.008 0.000 1.019 966 T CA -0.908 61.174 62.100 -0.029 0.000 1.010 966 T CB 2.444 71.300 68.868 -0.019 0.000 1.022 966 T HN -0.088 nan 8.240 nan 0.000 0.466 967 K N 0.833 121.234 120.400 0.001 0.000 2.102 967 K HA 0.343 4.663 4.320 -0.001 0.000 0.244 967 K C 1.728 178.344 176.600 0.027 0.000 1.021 967 K CA -0.222 56.077 56.287 0.019 0.000 0.913 967 K CB 0.685 33.194 32.500 0.015 0.000 1.062 967 K HN 0.808 nan 8.250 nan 0.000 0.485 968 S N -0.398 115.327 115.700 0.041 0.000 2.419 968 S HA -0.173 4.297 4.470 -0.001 0.000 0.235 968 S C 1.801 176.417 174.600 0.027 0.000 1.019 968 S CA 1.720 59.943 58.200 0.038 0.000 0.982 968 S CB -0.437 62.792 63.200 0.049 0.000 0.789 968 S HN 0.645 nan 8.310 nan 0.000 0.490 969 S N 1.534 117.248 115.700 0.024 0.000 2.555 969 S HA 0.399 4.869 4.470 -0.001 0.000 0.230 969 S C 0.742 175.351 174.600 0.014 0.000 0.978 969 S CA 0.091 58.303 58.200 0.019 0.000 0.934 969 S CB -0.694 62.517 63.200 0.018 0.000 0.766 969 S HN 0.829 nan 8.310 nan 0.000 0.533 970 A N 1.608 124.435 122.820 0.012 0.000 2.354 970 A HA 0.453 4.772 4.320 -0.001 0.000 0.281 970 A C 1.064 178.655 177.584 0.012 0.000 1.174 970 A CA -0.666 51.376 52.037 0.008 0.000 0.828 970 A CB 0.309 19.311 19.000 0.003 0.000 1.099 970 A HN 0.417 nan 8.150 nan 0.000 0.516 971 K N 1.170 121.576 120.400 0.010 0.000 2.044 971 K HA -0.095 4.225 4.320 -0.001 0.000 0.210 971 K C 0.171 176.782 176.600 0.018 0.000 1.049 971 K CA 1.663 57.958 56.287 0.013 0.000 0.927 971 K CB -0.128 32.377 32.500 0.009 0.000 0.713 971 K HN 0.665 nan 8.250 nan 0.000 0.443 972 T N 2.384 116.946 114.554 0.014 0.000 2.753 972 T HA 0.161 4.510 4.350 -0.001 0.000 0.297 972 T C -0.418 174.297 174.700 0.025 0.000 0.981 972 T CA -0.602 61.509 62.100 0.018 0.000 0.956 972 T CB 1.266 70.136 68.868 0.004 0.000 0.936 972 T HN -0.015 nan 8.240 nan 0.000 0.463 973 Q N 2.809 122.642 119.800 0.054 0.000 2.293 973 Q HA 0.418 4.758 4.340 -0.001 0.000 0.251 973 Q C 0.057 176.109 176.000 0.087 0.000 0.930 973 Q CA -0.043 55.796 55.803 0.059 0.000 0.893 973 Q CB 1.444 30.221 28.738 0.065 0.000 1.215 973 Q HN 0.550 nan 8.270 nan 0.000 0.425 974 R N 0.434 120.953 120.500 0.032 0.000 2.621 974 R HA 0.673 5.013 4.340 -0.001 0.000 0.292 974 R C -1.025 175.236 176.300 -0.065 0.000 0.969 974 R CA -0.699 55.405 56.100 0.007 0.000 0.887 974 R CB 1.845 32.119 30.300 -0.043 0.000 1.180 974 R HN 0.245 nan 8.270 nan 0.000 0.450 975 V N 1.611 121.486 119.914 -0.066 0.000 2.531 975 V HA 0.578 4.697 4.120 -0.001 0.000 0.301 975 V C 0.144 176.002 176.094 -0.393 0.000 1.034 975 V CA -0.796 61.345 62.300 -0.265 0.000 0.865 975 V CB 2.034 33.709 31.823 -0.246 0.000 0.995 975 V HN 0.953 nan 8.190 nan 0.000 0.424 976 G N 3.164 111.534 108.800 -0.717 0.000 2.371 976 G HA2 0.667 4.627 3.960 -0.001 0.000 0.326 976 G HA3 0.667 4.627 3.960 -0.001 0.000 0.326 976 G C -1.669 172.868 174.900 -0.606 0.000 1.127 976 G CA -0.284 44.265 45.100 -0.919 0.000 0.885 976 G HN 0.494 nan 8.290 nan 0.000 0.477 977 Y N 0.185 120.574 120.300 0.147 0.000 2.442 977 Y HA 0.486 5.036 4.550 -0.001 0.000 0.344 977 Y C -0.168 176.005 175.900 0.454 0.000 0.976 977 Y CA -0.919 57.357 58.100 0.293 0.000 1.040 977 Y CB 2.754 41.341 38.460 0.213 0.000 1.228 977 Y HN 0.346 nan 8.280 nan 0.000 0.451 978 V N 5.033 125.249 119.914 0.502 0.000 2.384 978 V HA 0.375 4.495 4.120 -0.001 0.000 0.287 978 V C -0.663 175.658 176.094 0.379 0.000 1.020 978 V CA -0.735 61.784 62.300 0.365 0.000 0.850 978 V CB 1.396 33.384 31.823 0.275 0.000 0.987 978 V HN 0.539 nan 8.190 nan 0.000 0.436 979 L N 5.289 126.721 121.223 0.348 0.000 2.305 979 L HA 0.558 4.898 4.340 -0.001 0.000 0.284 979 L C -0.343 176.720 176.870 0.321 0.000 1.013 979 L CA -0.228 54.811 54.840 0.331 0.000 0.819 979 L CB 1.407 43.660 42.059 0.323 0.000 1.227 979 L HN 0.694 nan 8.230 nan 0.000 0.417 980 H N 4.647 123.870 119.070 0.254 0.000 2.538 980 H HA 0.423 4.979 4.556 -0.001 0.000 0.353 980 H C -1.214 174.200 175.328 0.143 0.000 1.109 980 H CA -0.739 55.424 56.048 0.193 0.000 1.192 980 H CB 2.341 32.272 29.762 0.282 0.000 1.555 980 H HN 0.590 nan 8.280 nan 0.000 0.518 981 R N 3.779 123.871 120.500 -0.679 0.000 2.439 981 R HA 0.231 4.571 4.340 -0.001 0.000 0.310 981 R C -0.596 175.279 176.300 -0.709 0.000 0.955 981 R CA -0.439 55.383 56.100 -0.463 0.000 0.853 981 R CB 1.730 31.892 30.300 -0.229 0.000 1.171 981 R HN 0.668 nan 8.270 nan 0.000 0.449 982 T N 1.523 115.823 114.554 -0.423 0.000 2.814 982 T HA 0.232 4.582 4.350 -0.001 0.000 0.284 982 T C -0.550 173.989 174.700 -0.269 0.000 0.998 982 T CA -0.502 61.444 62.100 -0.257 0.000 0.935 982 T CB 0.718 69.503 68.868 -0.137 0.000 1.167 982 T HN 0.659 nan 8.240 nan 0.000 0.545 983 N N 0.759 119.330 118.700 -0.215 0.000 2.399 983 N HA 0.479 5.219 4.740 -0.001 0.000 0.280 983 N C -1.454 173.923 175.510 -0.221 0.000 1.008 983 N CA -0.499 52.374 53.050 -0.294 0.000 0.894 983 N CB 0.633 38.797 38.487 -0.537 0.000 1.273 983 N HN 0.478 nan 8.380 nan 0.000 0.486 984 L N 2.860 123.945 121.223 -0.230 0.000 2.334 984 L HA 0.532 4.871 4.340 -0.001 0.000 0.276 984 L C 0.477 177.239 176.870 -0.180 0.000 1.014 984 L CA -0.932 53.804 54.840 -0.172 0.000 0.815 984 L CB 1.638 43.609 42.059 -0.146 0.000 1.268 984 L HN 0.386 nan 8.230 nan 0.000 0.428 985 M N 2.539 122.050 119.600 -0.149 0.000 2.249 985 M HA 0.089 4.568 4.480 -0.001 0.000 0.340 985 M C -0.084 176.141 176.300 -0.126 0.000 1.166 985 M CA 0.171 55.383 55.300 -0.147 0.000 1.115 985 M CB 0.454 32.974 32.600 -0.134 0.000 1.606 985 M HN 0.540 nan 8.290 nan 0.000 0.448 986 Q N 2.114 121.842 119.800 -0.119 0.000 2.349 986 Q HA 0.306 4.646 4.340 -0.001 0.000 0.254 986 Q C -0.550 175.401 176.000 -0.082 0.000 0.980 986 Q CA -0.533 55.213 55.803 -0.094 0.000 0.924 986 Q CB 0.579 29.263 28.738 -0.090 0.000 1.209 986 Q HN 0.708 nan 8.270 nan 0.000 0.445 987 c N 2.153 120.708 118.600 -0.074 0.000 2.976 987 c HA 0.515 5.085 4.570 -0.001 0.000 0.274 987 c C 1.300 175.358 174.090 -0.054 0.000 1.487 987 c CA -0.014 56.274 56.329 -0.067 0.000 1.789 987 c CB -0.581 41.884 42.510 -0.075 0.000 2.771 987 c HN 1.156 nan 8.230 nan 0.000 0.551 988 G N 1.283 110.053 108.800 -0.050 0.000 2.144 988 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.218 988 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.218 988 G C -0.040 174.837 174.900 -0.039 0.000 0.988 988 G CA 0.277 45.352 45.100 -0.042 0.000 0.659 988 G HN 0.436 nan 8.290 nan 0.000 0.522 989 T N 1.843 116.373 114.554 -0.040 0.000 2.743 989 T HA 0.486 4.835 4.350 -0.001 0.000 0.292 989 T C -0.597 174.085 174.700 -0.031 0.000 0.972 989 T CA -0.701 61.379 62.100 -0.034 0.000 0.967 989 T CB 1.930 70.780 68.868 -0.032 0.000 0.926 989 T HN -0.032 nan 8.240 nan 0.000 0.459 990 P HA -0.188 nan 4.420 nan 0.000 0.220 990 P C 0.065 177.352 177.300 -0.022 0.000 1.155 990 P CA 0.892 63.972 63.100 -0.033 0.000 0.880 990 P CB -0.154 31.520 31.700 -0.043 0.000 0.790 991 E N -0.157 120.039 120.200 -0.007 0.000 1.173 991 E HA -0.231 4.119 4.350 -0.001 0.000 0.264 991 E C 0.154 176.779 176.600 0.041 0.000 1.053 991 E CA 0.552 56.965 56.400 0.022 0.000 0.899 991 E CB -0.756 28.945 29.700 0.002 0.000 0.855 991 E HN 0.498 nan 8.360 nan 0.000 0.297 992 E N 0.590 120.847 120.200 0.096 0.000 3.508 992 E HA 0.211 4.561 4.350 -0.001 0.000 0.199 992 E C -0.530 176.263 176.600 0.321 0.000 0.811 992 E CA -0.624 55.844 56.400 0.115 0.000 1.314 992 E CB 0.144 29.839 29.700 -0.009 0.000 1.856 992 E HN 0.668 nan 8.360 nan 0.000 0.373 993 H N 0.520 119.584 119.070 -0.010 0.000 1.621 993 H HA -0.150 4.405 4.556 -0.001 0.000 0.310 993 H C -1.113 174.222 175.328 0.010 0.000 0.751 993 H CA 0.124 56.170 56.048 -0.003 0.000 1.047 993 H CB -1.555 28.203 29.762 -0.007 0.000 1.452 993 H HN 0.283 nan 8.280 nan 0.000 0.236 994 T N 1.281 115.873 114.554 0.062 0.000 2.912 994 T HA 0.396 4.745 4.350 -0.001 0.000 0.299 994 T C -0.363 174.354 174.700 0.028 0.000 1.052 994 T CA -1.269 60.839 62.100 0.012 0.000 0.996 994 T CB 2.471 71.350 68.868 0.017 0.000 1.070 994 T HN 0.693 nan 8.240 nan 0.000 0.465 995 Q N 1.627 121.447 119.800 0.032 0.000 2.306 995 Q HA 0.431 4.770 4.340 -0.001 0.000 0.241 995 Q C -0.124 175.890 176.000 0.022 0.000 0.948 995 Q CA -1.076 54.744 55.803 0.029 0.000 0.886 995 Q CB 0.804 29.565 28.738 0.037 0.000 1.227 995 Q HN 0.356 nan 8.270 nan 0.000 0.457 996 K N 1.443 121.846 120.400 0.006 0.000 2.270 996 K HA 0.196 4.516 4.320 -0.001 0.000 0.276 996 K C -0.675 175.918 176.600 -0.010 0.000 1.023 996 K CA -0.459 55.825 56.287 -0.005 0.000 0.955 996 K CB 0.490 32.977 32.500 -0.021 0.000 0.975 996 K HN 0.398 nan 8.250 nan 0.000 0.471 997 L N 3.053 124.268 121.223 -0.013 0.000 2.265 997 L HA 0.255 4.594 4.340 -0.001 0.000 0.289 997 L C -0.674 176.151 176.870 -0.074 0.000 1.033 997 L CA -0.188 54.635 54.840 -0.027 0.000 0.814 997 L CB 0.918 42.975 42.059 -0.003 0.000 1.203 997 L HN 0.418 nan 8.230 nan 0.000 0.423 998 D N 3.667 124.013 120.400 -0.089 0.000 2.477 998 D HA 0.149 4.789 4.640 -0.001 0.000 0.239 998 D C 1.164 177.360 176.300 -0.174 0.000 1.102 998 D CA -0.220 53.704 54.000 -0.126 0.000 0.901 998 D CB 1.115 41.876 40.800 -0.065 0.000 1.026 998 D HN 0.395 nan 8.370 nan 0.000 0.515 999 V N 1.305 121.023 119.914 -0.327 0.000 2.469 999 V HA -0.239 3.881 4.120 -0.001 0.000 0.251 999 V C 2.226 177.978 176.094 -0.570 0.000 1.064 999 V CA 1.223 63.156 62.300 -0.611 0.000 1.066 999 V CB -1.181 30.068 31.823 -0.958 0.000 0.667 999 V HN 0.594 nan 8.190 nan 0.000 0.461 1000 c N 0.374 118.774 118.600 -0.334 0.000 2.449 1000 c HA -0.007 4.563 4.570 -0.001 0.000 0.283 1000 c C 2.089 176.077 174.090 -0.169 0.000 1.453 1000 c CA 1.351 57.563 56.329 -0.195 0.000 1.779 1000 c CB -1.864 40.529 42.510 -0.194 0.000 1.779 1000 c HN 0.778 nan 8.230 nan 0.000 0.546 1001 H N -1.222 117.807 119.070 -0.069 0.000 2.592 1001 H HA 0.273 4.829 4.556 -0.001 0.000 0.279 1001 H C 1.654 177.003 175.328 0.034 0.000 1.089 1001 H CA -0.024 56.029 56.048 0.010 0.000 1.150 1001 H CB 0.087 29.838 29.762 -0.019 0.000 1.575 1001 H HN 0.330 nan 8.280 nan 0.000 0.547 1002 L N -0.093 121.179 121.223 0.082 0.000 2.291 1002 L HA 0.011 4.351 4.340 -0.001 0.000 0.214 1002 L C 0.082 177.084 176.870 0.219 0.000 1.120 1002 L CA 0.850 55.761 54.840 0.120 0.000 0.799 1002 L CB 0.157 42.259 42.059 0.072 0.000 0.925 1002 L HN 0.203 nan 8.230 nan 0.000 0.446 1003 L N -0.017 121.291 121.223 0.141 0.000 2.334 1003 L HA 0.421 4.761 4.340 -0.001 0.000 0.273 1003 L C -2.093 174.802 176.870 0.042 0.000 1.013 1003 L CA -1.954 52.892 54.840 0.010 0.000 0.816 1003 L CB 1.933 43.760 42.059 -0.387 0.000 1.278 1003 L HN -0.220 nan 8.230 nan 0.000 0.431 1004 P HA 0.080 nan 4.420 nan 0.000 0.274 1004 P C -0.875 176.525 177.300 0.168 0.000 1.256 1004 P CA -0.197 62.959 63.100 0.094 0.000 0.795 1004 P CB 0.424 32.159 31.700 0.059 0.000 1.038 1005 N N -2.767 116.017 118.700 0.140 0.000 2.738 1005 N HA -0.149 4.590 4.740 -0.001 0.000 0.249 1005 N C -0.025 175.571 175.510 0.145 0.000 1.047 1005 N CA -0.163 52.964 53.050 0.128 0.000 0.707 1005 N CB -1.482 37.070 38.487 0.109 0.000 0.937 1005 N HN 0.256 nan 8.380 nan 0.000 0.545 1006 V N 0.313 120.262 119.914 0.057 0.000 2.508 1006 V HA 0.413 4.532 4.120 -0.001 0.000 0.281 1006 V C 1.201 177.183 176.094 -0.185 0.000 1.041 1006 V CA 0.937 63.094 62.300 -0.238 0.000 1.016 1006 V CB 1.238 32.819 31.823 -0.403 0.000 0.984 1006 V HN 0.412 nan 8.190 nan 0.000 0.478 1007 A N 7.409 130.102 122.820 -0.211 0.000 2.085 1007 A HA 0.412 4.732 4.320 -0.001 0.000 0.208 1007 A C 0.871 178.411 177.584 -0.074 0.000 1.191 1007 A CA 0.617 52.595 52.037 -0.099 0.000 0.799 1007 A CB 0.157 19.118 19.000 -0.065 0.000 0.877 1007 A HN 0.947 nan 8.150 nan 0.000 0.473 1008 R N -2.565 117.859 120.500 -0.126 0.000 2.690 1008 R HA 0.591 4.930 4.340 -0.001 0.000 0.269 1008 R C -1.857 174.378 176.300 -0.108 0.000 1.037 1008 R CA -0.450 55.621 56.100 -0.049 0.000 0.877 1008 R CB 0.585 30.940 30.300 0.091 0.000 1.255 1008 R HN 0.210 nan 8.270 nan 0.000 0.467 1009 c N 1.279 119.825 118.600 -0.089 0.000 2.481 1009 c HA 0.620 5.190 4.570 -0.001 0.000 0.324 1009 c C -1.217 172.878 174.090 0.008 0.000 1.170 1009 c CA -0.031 56.261 56.329 -0.062 0.000 1.361 1009 c CB 1.210 43.650 42.510 -0.116 0.000 1.977 1009 c HN 0.959 nan 8.230 nan 0.000 0.459 1010 E N 2.984 123.252 120.200 0.114 0.000 2.293 1010 E HA 0.430 4.780 4.350 -0.001 0.000 0.270 1010 E C -1.045 175.703 176.600 0.247 0.000 0.879 1010 E CA -0.648 55.850 56.400 0.163 0.000 0.756 1010 E CB 1.932 31.722 29.700 0.149 0.000 1.208 1010 E HN 0.654 nan 8.360 nan 0.000 0.428 1011 R N 1.648 122.277 120.500 0.214 0.000 2.357 1011 R HA 0.340 4.680 4.340 -0.001 0.000 0.296 1011 R C -0.494 175.835 176.300 0.048 0.000 1.052 1011 R CA 0.122 56.280 56.100 0.098 0.000 0.988 1011 R CB 0.675 31.000 30.300 0.040 0.000 1.025 1011 R HN 0.720 nan 8.270 nan 0.000 0.469 1012 T N -0.238 114.325 114.554 0.016 0.000 2.888 1012 T HA 0.368 4.718 4.350 -0.001 0.000 0.288 1012 T C 0.107 174.797 174.700 -0.016 0.000 1.063 1012 T CA -0.763 61.369 62.100 0.053 0.000 1.010 1012 T CB 1.364 70.338 68.868 0.176 0.000 1.214 1012 T HN 0.607 nan 8.240 nan 0.000 0.533 1013 T N 0.161 114.708 114.554 -0.011 0.000 2.802 1013 T HA 0.268 4.618 4.350 -0.001 0.000 0.305 1013 T C 1.650 176.274 174.700 -0.127 0.000 1.053 1013 T CA -0.809 61.260 62.100 -0.052 0.000 1.058 1013 T CB -0.030 68.825 68.868 -0.022 0.000 0.988 1013 T HN 0.564 nan 8.240 nan 0.000 0.539 1014 L N 0.968 122.099 121.223 -0.153 0.000 2.353 1014 L HA -0.048 4.292 4.340 -0.001 0.000 0.220 1014 L C 2.724 179.303 176.870 -0.486 0.000 1.133 1014 L CA 1.435 56.116 54.840 -0.264 0.000 0.798 1014 L CB -1.110 40.880 42.059 -0.115 0.000 0.922 1014 L HN 0.980 nan 8.230 nan 0.000 0.445 1015 T N -5.162 109.212 114.554 -0.301 0.000 3.107 1015 T HA 0.084 4.434 4.350 -0.001 0.000 0.249 1015 T C 0.843 175.461 174.700 -0.136 0.000 1.096 1015 T CA -0.275 61.684 62.100 -0.236 0.000 1.012 1015 T CB -0.263 68.593 68.868 -0.020 0.000 0.977 1015 T HN 0.312 nan 8.240 nan 0.000 0.527 1016 F N -0.597 119.372 119.950 0.032 0.000 2.871 1016 F HA -0.243 4.283 4.527 -0.000 0.000 0.326 1016 F C 1.184 176.992 175.800 0.014 0.000 0.675 1016 F CA 0.199 58.212 58.000 0.021 0.000 1.188 1016 F CB -2.070 36.939 39.000 0.015 0.000 1.567 1016 F HN 0.211 nan 8.300 nan 0.000 0.325 1017 L N -0.551 120.757 121.223 0.142 0.000 2.418 1017 L HA 0.020 4.360 4.340 -0.001 0.000 0.218 1017 L C 1.084 177.985 176.870 0.052 0.000 1.125 1017 L CA 1.171 56.062 54.840 0.086 0.000 0.835 1017 L CB -0.015 42.078 42.059 0.056 0.000 0.953 1017 L HN 0.322 nan 8.230 nan 0.000 0.454 1018 Q N 0.455 120.285 119.800 0.050 0.000 2.305 1018 Q HA 0.265 4.604 4.340 -0.001 0.000 0.271 1018 Q C -1.213 174.811 176.000 0.042 0.000 1.046 1018 Q CA -0.712 55.109 55.803 0.029 0.000 0.798 1018 Q CB 1.890 30.629 28.738 0.003 0.000 1.286 1018 Q HN 0.097 nan 8.270 nan 0.000 0.435 1019 N N 4.421 123.146 118.700 0.041 0.000 2.458 1019 N HA 0.196 4.936 4.740 -0.001 0.000 0.270 1019 N C 0.303 175.836 175.510 0.039 0.000 1.102 1019 N CA 0.190 53.272 53.050 0.053 0.000 0.967 1019 N CB 1.093 39.614 38.487 0.056 0.000 1.078 1019 N HN 0.630 nan 8.380 nan 0.000 0.471 1020 L N 0.613 121.861 121.223 0.041 0.000 2.575 1020 L HA 0.306 4.646 4.340 -0.001 0.000 0.228 1020 L C 0.088 176.985 176.870 0.045 0.000 1.075 1020 L CA 0.533 55.389 54.840 0.027 0.000 0.867 1020 L CB 0.269 42.332 42.059 0.006 0.000 1.097 1020 L HN 0.393 nan 8.230 nan 0.000 0.485 1021 E N -1.057 119.187 120.200 0.073 0.000 2.347 1021 E HA 0.211 4.561 4.350 -0.001 0.000 0.285 1021 E C -1.481 175.204 176.600 0.140 0.000 0.925 1021 E CA -0.600 55.858 56.400 0.097 0.000 0.779 1021 E CB 2.156 31.906 29.700 0.083 0.000 1.233 1021 E HN -0.013 nan 8.360 nan 0.000 0.414 1022 H N 3.393 122.488 119.070 0.042 0.000 2.705 1022 H HA 0.315 4.870 4.556 -0.001 0.000 0.291 1022 H C -0.964 174.388 175.328 0.041 0.000 1.085 1022 H CA -0.276 55.794 56.048 0.037 0.000 1.357 1022 H CB 0.261 30.036 29.762 0.021 0.000 1.419 1022 H HN 0.309 nan 8.280 nan 0.000 0.462 1023 L N 5.150 126.208 121.223 -0.277 0.000 2.315 1023 L HA 0.160 4.500 4.340 -0.001 0.000 0.283 1023 L C 0.322 177.002 176.870 -0.317 0.000 1.089 1023 L CA -0.546 54.171 54.840 -0.205 0.000 0.833 1023 L CB 0.434 42.435 42.059 -0.095 0.000 1.170 1023 L HN 0.643 nan 8.230 nan 0.000 0.442 1024 D N 2.412 122.708 120.400 -0.174 0.000 2.423 1024 D HA 0.174 4.814 4.640 -0.001 0.000 0.238 1024 D C 1.204 177.454 176.300 -0.085 0.000 1.142 1024 D CA 1.290 55.219 54.000 -0.118 0.000 0.884 1024 D CB 1.305 42.083 40.800 -0.038 0.000 1.199 1024 D HN 0.787 nan 8.370 nan 0.000 0.438 1025 G N 2.159 110.928 108.800 -0.051 0.000 2.196 1025 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.268 1025 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.268 1025 G C 0.781 175.693 174.900 0.020 0.000 0.975 1025 G CA 0.567 45.660 45.100 -0.011 0.000 0.648 1025 G HN 0.643 nan 8.290 nan 0.000 0.538 1026 M N -2.468 117.099 119.600 -0.054 0.000 2.653 1026 M HA -0.182 4.298 4.480 -0.001 0.000 0.203 1026 M C 0.047 176.352 176.300 0.008 0.000 0.502 1026 M CA 0.893 56.152 55.300 -0.068 0.000 0.601 1026 M CB -2.031 30.526 32.600 -0.072 0.000 2.228 1026 M HN 0.253 nan 8.290 nan 0.000 0.711 1027 V N 0.662 120.567 119.914 -0.014 0.000 2.435 1027 V HA 0.766 4.885 4.120 -0.001 0.000 0.290 1027 V C 0.604 176.607 176.094 -0.152 0.000 1.030 1027 V CA -0.328 61.955 62.300 -0.027 0.000 0.881 1027 V CB 1.827 33.627 31.823 -0.038 0.000 0.983 1027 V HN 0.374 nan 8.190 nan 0.000 0.445 1028 A N 7.929 130.578 122.820 -0.285 0.000 2.252 1028 A HA 0.749 5.068 4.320 -0.001 0.000 0.309 1028 A C -2.208 175.105 177.584 -0.452 0.000 1.285 1028 A CA -1.472 50.175 52.037 -0.650 0.000 0.900 1028 A CB 0.257 18.560 19.000 -1.161 0.000 1.157 1028 A HN 0.625 nan 8.150 nan 0.000 0.536 1029 P HA 0.202 nan 4.420 nan 0.000 0.277 1029 P C -0.363 176.931 177.300 -0.011 0.000 1.240 1029 P CA -0.199 62.853 63.100 -0.079 0.000 0.798 1029 P CB 0.910 32.615 31.700 0.008 0.000 0.979 1030 E N 0.038 120.242 120.200 0.006 0.000 2.392 1030 E HA 0.238 4.588 4.350 -0.001 0.000 0.256 1030 E C 0.235 176.886 176.600 0.084 0.000 1.145 1030 E CA -0.781 55.649 56.400 0.050 0.000 0.929 1030 E CB 0.540 30.252 29.700 0.019 0.000 0.998 1030 E HN 0.306 nan 8.360 nan 0.000 0.442 1031 V N -1.481 118.485 119.914 0.087 0.000 3.109 1031 V HA 0.341 4.461 4.120 -0.001 0.000 0.317 1031 V C 0.229 176.323 176.094 -0.000 0.000 1.074 1031 V CA -1.104 61.231 62.300 0.058 0.000 1.033 1031 V CB 1.141 32.999 31.823 0.058 0.000 1.111 1031 V HN 0.738 nan 8.190 nan 0.000 0.458 1032 c N 1.816 120.410 118.600 -0.011 0.000 2.500 1032 c HA 0.471 5.040 4.570 -0.001 0.000 0.367 1032 c C -2.133 171.899 174.090 -0.097 0.000 1.283 1032 c CA -0.434 55.871 56.329 -0.040 0.000 2.456 1032 c CB 0.139 42.641 42.510 -0.014 0.000 2.457 1032 c HN 0.795 nan 8.230 nan 0.000 0.632 1033 P HA 0.069 nan 4.420 nan 0.000 0.264 1033 P C 0.237 177.379 177.300 -0.264 0.000 1.193 1033 P CA 0.934 63.900 63.100 -0.224 0.000 0.763 1033 P CB 0.188 31.739 31.700 -0.248 0.000 0.810 1034 M N -1.169 118.229 119.600 -0.338 0.000 2.939 1034 M HA -0.205 4.274 4.480 -0.001 0.000 0.194 1034 M C 0.250 176.537 176.300 -0.022 0.000 0.617 1034 M CA 1.156 56.246 55.300 -0.349 0.000 0.734 1034 M CB -2.419 29.680 32.600 -0.835 0.000 2.637 1034 M HN 0.479 nan 8.290 nan 0.000 0.316 1035 E N 0.547 120.722 120.200 -0.042 0.000 2.250 1035 E HA 0.586 4.935 4.350 -0.001 0.000 0.269 1035 E C -0.636 176.011 176.600 0.079 0.000 1.018 1035 E CA -0.169 56.282 56.400 0.084 0.000 0.873 1035 E CB 1.502 31.222 29.700 0.034 0.000 1.134 1035 E HN 0.192 nan 8.360 nan 0.000 0.403 1036 T N 1.517 116.142 114.554 0.118 0.000 2.921 1036 T HA 0.687 5.036 4.350 -0.001 0.000 0.297 1036 T C -1.275 173.436 174.700 0.017 0.000 1.013 1036 T CA -0.551 61.629 62.100 0.134 0.000 0.990 1036 T CB 1.502 70.478 68.868 0.179 0.000 1.023 1036 T HN 0.610 nan 8.240 nan 0.000 0.447 1037 A N 1.925 124.756 122.820 0.018 0.000 2.469 1037 A HA 1.004 5.324 4.320 -0.001 0.000 0.299 1037 A C -1.064 176.422 177.584 -0.163 0.000 1.098 1037 A CA -0.936 51.013 52.037 -0.147 0.000 0.737 1037 A CB 1.559 20.416 19.000 -0.239 0.000 1.312 1037 A HN 1.123 nan 8.150 nan 0.000 0.414 1038 A N 0.316 122.949 122.820 -0.312 0.000 2.386 1038 A HA 0.825 5.145 4.320 -0.001 0.000 0.311 1038 A C -1.480 175.977 177.584 -0.212 0.000 1.068 1038 A CA -0.354 51.631 52.037 -0.087 0.000 0.743 1038 A CB 0.745 19.707 19.000 -0.064 0.000 1.258 1038 A HN 0.854 nan 8.150 nan 0.000 0.429 1039 Y N 0.040 120.552 120.300 0.355 0.000 2.545 1039 Y HA 0.620 5.169 4.550 -0.001 0.000 0.348 1039 Y C -0.258 175.811 175.900 0.282 0.000 1.002 1039 Y CA -0.976 57.280 58.100 0.259 0.000 1.039 1039 Y CB 2.607 41.165 38.460 0.163 0.000 1.271 1039 Y HN 0.422 nan 8.280 nan 0.000 0.467 1040 V N 1.956 122.072 119.914 0.337 0.000 2.525 1040 V HA 0.462 4.582 4.120 -0.001 0.000 0.299 1040 V C -0.840 175.331 176.094 0.129 0.000 1.034 1040 V CA -0.922 61.474 62.300 0.161 0.000 0.863 1040 V CB 1.821 33.680 31.823 0.060 0.000 0.999 1040 V HN 0.813 nan 8.190 nan 0.000 0.423 1041 S N 3.192 118.973 115.700 0.134 0.000 2.489 1041 S HA 0.736 5.205 4.470 -0.001 0.000 0.291 1041 S C -0.280 174.238 174.600 -0.136 0.000 1.151 1041 S CA -0.605 57.591 58.200 -0.007 0.000 1.082 1041 S CB 1.688 64.948 63.200 0.100 0.000 1.019 1041 S HN 0.547 nan 8.310 nan 0.000 0.492 1042 S N 2.586 118.089 115.700 -0.328 0.000 2.475 1042 S HA 0.503 4.973 4.470 -0.001 0.000 0.298 1042 S C -0.845 173.424 174.600 -0.551 0.000 1.119 1042 S CA -0.748 57.292 58.200 -0.265 0.000 1.085 1042 S CB 0.397 63.527 63.200 -0.118 0.000 1.028 1042 S HN 0.773 nan 8.310 nan 0.000 0.489 1043 H N 1.029 120.089 119.070 -0.018 0.000 2.589 1043 H HA 0.416 4.972 4.556 -0.001 0.000 0.351 1043 H C -0.053 175.269 175.328 -0.009 0.000 1.074 1043 H CA -0.607 55.431 56.048 -0.016 0.000 1.203 1043 H CB 1.753 31.506 29.762 -0.014 0.000 1.558 1043 H HN 0.674 nan 8.280 nan 0.000 0.522 1044 S N 0.000 115.746 115.700 0.077 0.000 2.498 1044 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.229 58.200 0.048 0.000 1.107 1044 S CB 0.000 63.215 63.200 0.025 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517