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 1qwu_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 NFRFKQNTEW DVQRVNYERL FEHINSQAHF NVQAQFGTLQ DATA SEQUENCE EYFDAVHQAE RAGQAEFPTL SGDFFTYADR SDNYWSGYYT SRPYHKRMDR DATA SEQUENCE VLMHYVRAAE MLSAWHSWDG MARIEERLEQ ARRELSLFQH HDGITGTAKT DATA SEQUENCE HVVVDYEQRM QEALKACQMV MQQSVYRLLT KPSIYSPDFS FSYFTLDDSR DATA SEQUENCE WPGSGVEDSR TTIILGEDIL PSKHVVMHNT LPHWREQLVD FYVSSPFVSV DATA SEQUENCE TDLANNPVEA QVSPVWSWHH DTLTKTIHPQ GSTTKYRIIF KARVPPMGLA DATA SEQUENCE TYVLTISDSK PEHTSYASNL LLRKNPTSLP LGQYPEDVKF GDPREISLRV DATA SEQUENCE GNGPTLAFSE QGLLKSIQLT QDSPHVPVHF KFLKYGVRSH GDRSGAYLFL DATA SEQUENCE PNGPASPVEL GQPVVLVTKG KLESSVSVGL PSVVHQTIMR GGAPEIRNLV DATA SEQUENCE DIGSLDNTEI VMRLETHIDS GDIFYTDLNG LQFIKRRRLD KLPLQANYYP DATA SEQUENCE IPSGMFIEDA NTRLTLLTGQ PLGGSSLASG ELEIMQDRRL ASDDERGLGQ DATA SEQUENCE GVLDNKPVLH IYRLVLEKVN NcVRPSKLHP AGYLTSAAHK ASQSLLDPLD DATA SEQUENCE KFIFAENEWI GAQGQFGGDH PSAREDLDVS VMRRLTKSSA KTQRVGYVLH DATA SEQUENCE RTNLMQcGTP EEHTQKLDVc HLLPNVARcE RTTLTFLQNL EHLDGMVAPE DATA SEQUENCE VcPMETAAYV SSHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 31 c HA 0.000 nan 4.570 nan 0.000 0.325 31 c C 0.000 174.102 174.090 0.021 0.000 1.270 31 c CA 0.000 56.337 56.329 0.013 0.000 1.963 31 c CB 0.000 42.505 42.510 -0.009 0.000 2.134 32 Q N 1.377 121.205 119.800 0.047 0.000 2.432 32 Q HA 0.152 4.492 4.340 -0.001 0.000 0.264 32 Q C -0.146 175.882 176.000 0.047 0.000 1.035 32 Q CA 0.385 56.229 55.803 0.068 0.000 0.908 32 Q CB 0.787 29.602 28.738 0.128 0.000 1.280 32 Q HN 0.672 nan 8.270 nan 0.000 0.455 33 D N 1.131 121.563 120.400 0.053 0.000 2.280 33 D HA 0.099 4.739 4.640 -0.001 0.000 0.243 33 D C 0.330 176.674 176.300 0.073 0.000 1.129 33 D CA -0.301 53.711 54.000 0.019 0.000 0.848 33 D CB 1.427 42.239 40.800 0.020 0.000 1.107 33 D HN 0.369 nan 8.370 nan 0.000 0.471 34 V N 2.114 122.022 119.914 -0.009 0.000 3.647 34 V HA 0.111 4.230 4.120 -0.001 0.000 0.279 34 V C 1.054 177.193 176.094 0.075 0.000 1.314 34 V CA 0.087 62.442 62.300 0.092 0.000 1.125 34 V CB 0.173 31.889 31.823 -0.179 0.000 0.907 34 V HN 0.387 nan 8.190 nan 0.000 0.434 35 V N 0.125 119.998 119.914 -0.068 0.000 2.743 35 V HA 0.052 4.171 4.120 -0.001 0.000 0.237 35 V C 2.398 178.474 176.094 -0.029 0.000 1.113 35 V CA 1.350 63.565 62.300 -0.143 0.000 1.141 35 V CB -0.152 31.535 31.823 -0.226 0.000 0.873 35 V HN 0.465 nan 8.190 nan 0.000 0.486 36 Q N 0.041 119.865 119.800 0.039 0.000 2.398 36 Q HA 0.059 4.399 4.340 -0.001 0.000 0.204 36 Q C -0.370 175.714 176.000 0.140 0.000 0.932 36 Q CA 0.490 56.340 55.803 0.078 0.000 0.916 36 Q CB 0.300 29.057 28.738 0.032 0.000 1.024 36 Q HN 0.528 nan 8.270 nan 0.000 0.504 37 D N 1.241 121.752 120.400 0.185 0.000 2.427 37 D HA 0.169 4.808 4.640 -0.001 0.000 0.226 37 D C -0.718 175.692 176.300 0.183 0.000 1.076 37 D CA -0.244 53.850 54.000 0.157 0.000 0.849 37 D CB 2.019 42.890 40.800 0.118 0.000 1.052 37 D HN -0.167 nan 8.370 nan 0.000 0.515 38 V N 4.754 124.745 119.914 0.128 0.000 2.421 38 V HA 0.102 4.221 4.120 -0.001 0.000 0.271 38 V C -1.802 174.269 176.094 -0.038 0.000 1.031 38 V CA -1.102 61.195 62.300 -0.005 0.000 1.032 38 V CB 0.268 32.099 31.823 0.013 0.000 1.009 38 V HN 0.304 nan 8.190 nan 0.000 0.477 39 P HA 0.052 nan 4.420 nan 0.000 0.266 39 P C -0.397 176.875 177.300 -0.046 0.000 1.195 39 P CA -0.011 63.058 63.100 -0.052 0.000 0.768 39 P CB 0.347 32.000 31.700 -0.079 0.000 0.838 40 N N 2.199 120.887 118.700 -0.019 0.000 2.462 40 N HA 0.380 5.119 4.740 -0.001 0.000 0.242 40 N C -1.124 174.379 175.510 -0.011 0.000 1.010 40 N CA -0.459 52.583 53.050 -0.013 0.000 0.939 40 N CB 0.221 38.709 38.487 0.001 0.000 1.127 40 N HN 0.107 nan 8.380 nan 0.000 0.509 41 V N 0.412 120.313 119.914 -0.021 0.000 2.962 41 V HA 0.513 4.632 4.120 -0.001 0.000 0.313 41 V C 0.480 176.563 176.094 -0.019 0.000 1.099 41 V CA -0.786 61.506 62.300 -0.014 0.000 0.971 41 V CB 2.079 33.884 31.823 -0.029 0.000 1.028 41 V HN 0.413 nan 8.190 nan 0.000 0.430 42 D N 1.054 121.450 120.400 -0.006 0.000 2.144 42 D HA -0.004 4.635 4.640 -0.001 0.000 0.200 42 D C 0.551 176.824 176.300 -0.045 0.000 0.978 42 D CA 1.636 55.629 54.000 -0.012 0.000 0.833 42 D CB 0.389 41.197 40.800 0.014 0.000 0.961 42 D HN 0.430 nan 8.370 nan 0.000 0.470 43 V N 1.375 121.242 119.914 -0.079 0.000 2.483 43 V HA 0.218 4.338 4.120 -0.001 0.000 0.297 43 V C -0.349 175.656 176.094 -0.147 0.000 1.027 43 V CA -0.763 61.461 62.300 -0.127 0.000 0.855 43 V CB 2.416 34.115 31.823 -0.206 0.000 0.995 43 V HN -0.087 nan 8.190 nan 0.000 0.424 44 Q N 4.649 124.374 119.800 -0.125 0.000 2.339 44 Q HA 0.423 4.763 4.340 -0.001 0.000 0.268 44 Q C 0.506 176.419 176.000 -0.145 0.000 1.027 44 Q CA -0.702 55.021 55.803 -0.134 0.000 0.759 44 Q CB 1.847 30.526 28.738 -0.099 0.000 1.244 44 Q HN 0.688 nan 8.270 nan 0.000 0.464 45 M N 2.962 122.430 119.600 -0.220 0.000 2.144 45 M HA -0.201 4.278 4.480 -0.001 0.000 0.260 45 M C 1.606 177.817 176.300 -0.147 0.000 1.067 45 M CA 1.154 56.314 55.300 -0.232 0.000 1.095 45 M CB -0.892 31.434 32.600 -0.456 0.000 1.365 45 M HN 0.573 nan 8.290 nan 0.000 0.406 46 L N 0.559 121.684 121.223 -0.163 0.000 2.093 46 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 46 L C 2.484 179.355 176.870 0.003 0.000 1.085 46 L CA 1.795 56.569 54.840 -0.110 0.000 0.755 46 L CB -0.658 41.308 42.059 -0.155 0.000 0.904 46 L HN 0.263 nan 8.230 nan 0.000 0.435 47 E N -0.333 119.853 120.200 -0.023 0.000 2.072 47 E HA -0.230 4.120 4.350 -0.001 0.000 0.191 47 E C 2.196 178.814 176.600 0.031 0.000 0.985 47 E CA 1.469 57.868 56.400 -0.002 0.000 0.801 47 E CB -0.320 29.363 29.700 -0.028 0.000 0.750 47 E HN 0.443 nan 8.360 nan 0.000 0.452 48 L N 0.479 121.721 121.223 0.033 0.000 2.042 48 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 48 L C 2.302 179.246 176.870 0.123 0.000 1.076 48 L CA 1.670 56.536 54.840 0.043 0.000 0.749 48 L CB -0.973 41.100 42.059 0.024 0.000 0.893 48 L HN 0.127 nan 8.230 nan 0.000 0.432 49 Y N -0.048 120.266 120.300 0.023 0.000 2.207 49 Y HA -0.261 4.289 4.550 -0.001 0.000 0.287 49 Y C 2.561 178.564 175.900 0.172 0.000 1.156 49 Y CA 1.748 59.950 58.100 0.171 0.000 1.182 49 Y CB -0.635 37.912 38.460 0.145 0.000 0.979 49 Y HN 0.361 nan 8.280 nan 0.000 0.521 50 D N -0.403 120.113 120.400 0.194 0.000 2.117 50 D HA -0.145 4.495 4.640 -0.001 0.000 0.197 50 D C 1.980 178.324 176.300 0.073 0.000 0.987 50 D CA 1.379 55.444 54.000 0.108 0.000 0.829 50 D CB 0.058 40.895 40.800 0.062 0.000 0.961 50 D HN 0.359 nan 8.370 nan 0.000 0.460 51 R N -0.766 119.761 120.500 0.045 0.000 2.127 51 R HA 0.168 4.507 4.340 -0.001 0.000 0.217 51 R C 1.053 177.340 176.300 -0.020 0.000 1.074 51 R CA 0.016 56.120 56.100 0.006 0.000 0.991 51 R CB -0.233 30.055 30.300 -0.019 0.000 0.895 51 R HN 0.198 nan 8.270 nan 0.000 0.450 52 M N 1.264 120.826 119.600 -0.063 0.000 2.249 52 M HA -0.029 4.450 4.480 -0.001 0.000 0.340 52 M C 0.860 177.128 176.300 -0.054 0.000 1.166 52 M CA 0.438 55.609 55.300 -0.216 0.000 1.115 52 M CB 1.197 33.405 32.600 -0.654 0.000 1.606 52 M HN 0.016 nan 8.290 nan 0.000 0.448 53 S N 1.406 117.047 115.700 -0.098 0.000 2.486 53 S HA 0.126 4.595 4.470 -0.001 0.000 0.220 53 S C 0.252 174.969 174.600 0.195 0.000 1.011 53 S CA -0.021 58.213 58.200 0.058 0.000 0.921 53 S CB -0.040 63.163 63.200 0.005 0.000 0.785 53 S HN 0.734 nan 8.310 nan 0.000 0.517 54 F N 0.965 120.846 119.950 -0.116 0.000 3.057 54 F HA -0.183 4.344 4.527 -0.001 0.000 0.287 54 F C 0.162 175.978 175.800 0.026 0.000 0.834 54 F CA 0.188 58.127 58.000 -0.101 0.000 1.147 54 F CB -1.572 37.344 39.000 -0.141 0.000 1.245 54 F HN -0.015 nan 8.300 nan 0.000 0.509 55 K N 1.198 121.675 120.400 0.128 0.000 2.368 55 K HA 0.141 4.460 4.320 -0.001 0.000 0.282 55 K C 0.295 177.004 176.600 0.181 0.000 1.035 55 K CA -0.104 56.264 56.287 0.136 0.000 0.973 55 K CB 0.580 33.121 32.500 0.067 0.000 0.957 55 K HN 0.081 nan 8.250 nan 0.000 0.474 56 D N 3.510 124.032 120.400 0.204 0.000 2.639 56 D HA 0.145 4.785 4.640 -0.001 0.000 0.233 56 D C -0.330 176.011 176.300 0.068 0.000 1.161 56 D CA -0.572 53.549 54.000 0.201 0.000 1.003 56 D CB -0.666 40.258 40.800 0.206 0.000 1.034 56 D HN 0.429 nan 8.370 nan 0.000 0.514 57 I N -1.338 119.259 120.570 0.046 0.000 2.566 57 I HA 0.455 4.624 4.170 -0.001 0.000 0.303 57 I C 0.172 176.275 176.117 -0.022 0.000 0.983 57 I CA -0.860 60.446 61.300 0.009 0.000 1.235 57 I CB 1.139 39.145 38.000 0.010 0.000 1.386 57 I HN -0.148 nan 8.210 nan 0.000 0.494 58 D N 3.869 124.256 120.400 -0.023 0.000 2.346 58 D HA 0.191 4.830 4.640 -0.001 0.000 0.260 58 D C 0.933 177.218 176.300 -0.025 0.000 1.252 58 D CA 0.130 54.111 54.000 -0.031 0.000 0.895 58 D CB 1.259 42.048 40.800 -0.017 0.000 1.097 58 D HN 0.853 nan 8.370 nan 0.000 0.489 59 G N 2.420 111.189 108.800 -0.052 0.000 3.233 59 G HA2 0.460 4.419 3.960 -0.001 0.000 0.227 59 G HA3 0.460 4.419 3.960 -0.001 0.000 0.227 59 G C 0.870 175.772 174.900 0.004 0.000 1.175 59 G CA 0.320 45.397 45.100 -0.039 0.000 0.781 59 G HN 0.910 nan 8.290 nan 0.000 0.542 60 G N -0.508 108.298 108.800 0.010 0.000 2.475 60 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.223 60 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.223 60 G C 1.222 176.143 174.900 0.035 0.000 1.201 60 G CA 0.670 45.787 45.100 0.030 0.000 0.962 60 G HN 1.082 nan 8.290 nan 0.000 0.586 61 V N -3.667 116.266 119.914 0.032 0.000 2.392 61 V HA 0.049 4.168 4.120 -0.001 0.000 0.249 61 V C 1.506 177.627 176.094 0.045 0.000 1.059 61 V CA 2.461 64.761 62.300 0.000 0.000 1.051 61 V CB -0.578 31.211 31.823 -0.056 0.000 0.658 61 V HN 1.363 nan 8.190 nan 0.000 0.455 62 W N 2.691 123.899 121.300 -0.154 0.000 2.247 62 W HA 0.437 5.097 4.660 -0.001 0.000 0.394 62 W C 1.154 177.629 176.519 -0.072 0.000 0.939 62 W CA -1.825 55.416 57.345 -0.173 0.000 1.548 62 W CB 0.069 29.396 29.460 -0.222 0.000 1.610 62 W HN 0.059 nan 8.180 nan 0.000 0.336 63 K N 2.364 122.843 120.400 0.131 0.000 2.127 63 K HA -0.232 4.087 4.320 -0.001 0.000 0.208 63 K C 0.970 177.492 176.600 -0.130 0.000 1.047 63 K CA 1.731 58.011 56.287 -0.012 0.000 0.927 63 K CB 0.006 32.494 32.500 -0.021 0.000 0.716 63 K HN 0.577 nan 8.250 nan 0.000 0.450 64 Q N -1.004 118.684 119.800 -0.187 0.000 2.198 64 Q HA 0.166 4.506 4.340 -0.001 0.000 0.209 64 Q C 0.952 176.601 176.000 -0.585 0.000 0.848 64 Q CA -0.171 55.492 55.803 -0.233 0.000 0.974 64 Q CB 1.220 29.957 28.738 -0.003 0.000 1.115 64 Q HN 0.258 nan 8.270 nan 0.000 0.494 65 G N 0.686 108.704 108.800 -1.304 0.000 3.387 65 G HA2 0.504 4.464 3.960 -0.001 0.000 0.194 65 G HA3 0.504 4.464 3.960 -0.001 0.000 0.194 65 G C -1.320 173.287 174.900 -0.489 0.000 1.417 65 G CA -0.211 43.862 45.100 -1.712 0.000 0.777 65 G HN 0.364 nan 8.290 nan 0.000 0.721 66 W N -1.337 119.666 121.300 -0.494 0.000 2.959 66 W HA 0.603 5.262 4.660 -0.001 0.000 0.358 66 W C -1.517 175.081 176.519 0.132 0.000 1.228 66 W CA -1.157 56.126 57.345 -0.103 0.000 1.183 66 W CB 0.589 30.005 29.460 -0.073 0.000 1.467 66 W HN 0.185 nan 8.180 nan 0.000 0.578 67 N N 2.226 121.087 118.700 0.268 0.000 2.399 67 N HA 0.216 4.955 4.740 -0.001 0.000 0.259 67 N C -0.258 175.391 175.510 0.231 0.000 1.160 67 N CA 0.061 53.215 53.050 0.173 0.000 0.946 67 N CB 0.484 39.069 38.487 0.164 0.000 1.156 67 N HN 0.407 nan 8.380 nan 0.000 0.489 68 I N 2.074 122.679 120.570 0.058 0.000 2.588 68 I HA 0.022 4.191 4.170 -0.001 0.000 0.283 68 I C 0.796 177.072 176.117 0.265 0.000 1.119 68 I CA 0.342 61.750 61.300 0.180 0.000 1.419 68 I CB 0.470 38.523 38.000 0.089 0.000 1.394 68 I HN 0.140 nan 8.210 nan 0.000 0.562 69 K N 5.866 126.457 120.400 0.319 0.000 2.318 69 K HA 0.609 4.928 4.320 -0.001 0.000 0.249 69 K C -1.369 175.398 176.600 0.277 0.000 0.942 69 K CA -0.690 55.718 56.287 0.201 0.000 0.808 69 K CB 2.365 34.945 32.500 0.134 0.000 1.189 69 K HN 0.487 nan 8.250 nan 0.000 0.428 70 Y N -1.912 118.477 120.300 0.148 0.000 2.588 70 Y HA 0.460 5.010 4.550 -0.001 0.000 0.343 70 Y C -1.171 174.800 175.900 0.119 0.000 1.065 70 Y CA -1.559 56.629 58.100 0.148 0.000 1.038 70 Y CB 1.183 39.753 38.460 0.183 0.000 1.297 70 Y HN 0.418 nan 8.280 nan 0.000 0.467 71 D N 3.784 124.334 120.400 0.249 0.000 2.347 71 D HA 0.309 4.948 4.640 -0.001 0.000 0.235 71 D C -1.646 174.810 176.300 0.260 0.000 1.149 71 D CA -2.807 51.277 54.000 0.140 0.000 0.850 71 D CB 1.477 42.333 40.800 0.094 0.000 1.061 71 D HN 0.402 nan 8.370 nan 0.000 0.487 72 P HA -0.149 nan 4.420 nan 0.000 0.220 72 P C 1.323 178.770 177.300 0.245 0.000 1.144 72 P CA 0.796 64.091 63.100 0.325 0.000 0.800 72 P CB 0.306 32.130 31.700 0.207 0.000 0.772 73 L N -0.742 120.569 121.223 0.147 0.000 2.599 73 L HA 0.059 4.398 4.340 -0.001 0.000 0.230 73 L C 2.658 179.564 176.870 0.060 0.000 1.141 73 L CA 0.453 55.355 54.840 0.103 0.000 0.877 73 L CB -0.670 41.427 42.059 0.064 0.000 1.009 73 L HN -0.014 nan 8.230 nan 0.000 0.447 74 K N 0.474 120.888 120.400 0.023 0.000 2.097 74 K HA -0.138 4.181 4.320 -0.001 0.000 0.206 74 K C -0.057 176.372 176.600 -0.285 0.000 1.049 74 K CA 1.159 57.332 56.287 -0.189 0.000 0.933 74 K CB 0.088 32.399 32.500 -0.314 0.000 0.717 74 K HN 0.117 nan 8.250 nan 0.000 0.442 75 Y N 0.660 121.083 120.300 0.205 0.000 2.387 75 Y HA 0.241 4.791 4.550 -0.000 0.000 0.336 75 Y C -0.024 175.959 175.900 0.140 0.000 1.067 75 Y CA -1.041 57.181 58.100 0.202 0.000 1.114 75 Y CB 1.469 40.001 38.460 0.119 0.000 1.208 75 Y HN 0.240 nan 8.280 nan 0.000 0.458 76 N N -0.580 118.279 118.700 0.264 0.000 3.277 76 N HA 0.497 5.237 4.740 -0.001 0.000 0.278 76 N C -0.041 175.490 175.510 0.034 0.000 1.544 76 N CA -0.473 52.656 53.050 0.132 0.000 0.869 76 N CB 0.495 39.053 38.487 0.119 0.000 1.584 76 N HN 0.497 nan 8.380 nan 0.000 0.564 77 A N -1.169 121.577 122.820 -0.122 0.000 2.032 77 A HA -0.201 4.119 4.320 -0.001 0.000 0.221 77 A C 0.877 178.243 177.584 -0.363 0.000 1.165 77 A CA 1.375 53.240 52.037 -0.286 0.000 0.645 77 A CB -1.064 17.680 19.000 -0.427 0.000 0.807 77 A HN 0.698 nan 8.150 nan 0.000 0.453 78 H N -2.546 116.579 119.070 0.092 0.000 2.551 78 H HA 0.136 4.691 4.556 -0.001 0.000 0.271 78 H C -0.070 175.358 175.328 0.167 0.000 0.984 78 H CA 0.567 56.674 56.048 0.097 0.000 1.164 78 H CB 0.125 29.934 29.762 0.079 0.000 1.437 78 H HN 0.683 nan 8.280 nan 0.000 0.550 79 H N 0.693 119.831 119.070 0.113 0.000 2.895 79 H HA 0.233 4.789 4.556 -0.000 0.000 0.282 79 H C -0.829 174.623 175.328 0.207 0.000 1.338 79 H CA -0.271 55.859 56.048 0.137 0.000 1.595 79 H CB 0.689 30.521 29.762 0.115 0.000 1.771 79 H HN 0.112 nan 8.280 nan 0.000 0.573 80 K N 2.367 122.706 120.400 -0.101 0.000 2.095 80 K HA 0.268 4.587 4.320 -0.001 0.000 0.252 80 K C -0.420 176.026 176.600 -0.256 0.000 0.977 80 K CA -1.156 55.070 56.287 -0.102 0.000 0.900 80 K CB 2.030 34.458 32.500 -0.121 0.000 1.060 80 K HN 0.148 nan 8.250 nan 0.000 0.449 81 L N 2.304 123.266 121.223 -0.434 0.000 2.278 81 L HA 0.200 4.539 4.340 -0.001 0.000 0.287 81 L C -0.630 175.992 176.870 -0.414 0.000 1.072 81 L CA -0.127 54.368 54.840 -0.576 0.000 0.819 81 L CB 0.352 41.847 42.059 -0.939 0.000 1.176 81 L HN 0.257 nan 8.230 nan 0.000 0.435 82 K N 4.528 124.706 120.400 -0.369 0.000 2.262 82 K HA 0.419 4.738 4.320 -0.001 0.000 0.282 82 K C -1.423 174.827 176.600 -0.584 0.000 1.066 82 K CA -0.326 55.684 56.287 -0.461 0.000 0.901 82 K CB 0.859 33.138 32.500 -0.368 0.000 1.089 82 K HN 0.431 nan 8.250 nan 0.000 0.476 83 V N 6.111 125.569 119.914 -0.759 0.000 2.417 83 V HA 0.459 4.578 4.120 -0.001 0.000 0.291 83 V C -0.505 175.037 176.094 -0.919 0.000 1.024 83 V CA -0.765 61.039 62.300 -0.826 0.000 0.861 83 V CB 0.963 32.130 31.823 -1.092 0.000 0.985 83 V HN 0.514 nan 8.190 nan 0.000 0.436 84 F N 3.459 123.160 119.950 -0.415 0.000 2.375 84 F HA 0.506 5.032 4.527 -0.001 0.000 0.361 84 F C 0.126 175.749 175.800 -0.296 0.000 1.117 84 F CA -0.790 57.023 58.000 -0.312 0.000 1.037 84 F CB 1.850 40.739 39.000 -0.184 0.000 1.192 84 F HN 0.190 nan 8.300 nan 0.000 0.452 85 V N 5.205 125.092 119.914 -0.045 0.000 2.385 85 V HA 0.256 4.376 4.120 -0.001 0.000 0.269 85 V C -0.213 175.981 176.094 0.166 0.000 1.043 85 V CA -0.632 61.702 62.300 0.055 0.000 0.906 85 V CB 1.225 33.159 31.823 0.185 0.000 0.995 85 V HN 0.432 nan 8.190 nan 0.000 0.467 86 V N 8.294 128.254 119.914 0.078 0.000 2.294 86 V HA 0.308 4.428 4.120 -0.001 0.000 0.272 86 V C -2.333 173.801 176.094 0.066 0.000 1.027 86 V CA -2.009 60.309 62.300 0.029 0.000 0.823 86 V CB 1.284 33.035 31.823 -0.121 0.000 1.030 86 V HN 0.713 nan 8.190 nan 0.000 0.457 87 P HA 0.304 nan 4.420 nan 0.000 0.268 87 P C -0.802 176.499 177.300 0.003 0.000 1.205 87 P CA 0.325 63.400 63.100 -0.042 0.000 0.771 87 P CB 0.322 31.838 31.700 -0.308 0.000 0.858 88 H N -1.212 117.855 119.070 -0.004 0.000 3.014 88 H HA 0.769 5.325 4.556 -0.001 0.000 0.337 88 H C -1.552 173.891 175.328 0.192 0.000 1.320 88 H CA -1.083 54.862 56.048 -0.172 0.000 1.128 88 H CB 0.832 30.431 29.762 -0.272 0.000 1.862 88 H HN 0.196 nan 8.280 nan 0.000 0.536 89 S N 0.678 116.428 115.700 0.083 0.000 2.736 89 S HA 0.220 4.689 4.470 -0.001 0.000 0.285 89 S C -1.812 172.749 174.600 -0.066 0.000 1.163 89 S CA -0.668 57.630 58.200 0.163 0.000 1.025 89 S CB 0.238 63.723 63.200 0.474 0.000 1.030 89 S HN 0.837 nan 8.310 nan 0.000 0.486 90 H N 4.612 123.613 119.070 -0.116 0.000 2.864 90 H HA 0.430 4.985 4.556 -0.001 0.000 0.281 90 H C -0.071 174.888 175.328 -0.614 0.000 1.093 90 H CA 0.266 56.147 56.048 -0.279 0.000 1.453 90 H CB 0.151 29.788 29.762 -0.209 0.000 1.462 90 H HN 0.552 nan 8.280 nan 0.000 0.480 91 N N 4.911 122.972 118.700 -1.064 0.000 2.392 91 N HA 0.096 4.835 4.740 -0.001 0.000 0.283 91 N C -1.184 173.860 175.510 -0.777 0.000 1.003 91 N CA -0.674 51.633 53.050 -1.239 0.000 0.892 91 N CB 1.401 39.471 38.487 -0.695 0.000 1.193 91 N HN 0.633 nan 8.380 nan 0.000 0.487 92 D N 2.623 122.670 120.400 -0.588 0.000 2.274 92 D HA 0.203 4.843 4.640 -0.001 0.000 0.239 92 D C -2.168 174.225 176.300 0.156 0.000 1.104 92 D CA -1.286 52.640 54.000 -0.123 0.000 0.840 92 D CB 1.807 42.800 40.800 0.323 0.000 1.100 92 D HN 0.141 nan 8.370 nan 0.000 0.477 93 P HA 0.200 nan 4.420 nan 0.000 0.235 93 P C -0.019 177.482 177.300 0.335 0.000 1.765 93 P CA 0.121 63.216 63.100 -0.008 0.000 1.034 93 P CB 0.152 31.719 31.700 -0.221 0.000 1.984 94 G N 0.474 109.650 108.800 0.626 0.000 2.907 94 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.686 94 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.686 94 G C -1.025 174.404 174.900 0.882 0.000 1.115 94 G CA -0.624 44.866 45.100 0.651 0.000 0.760 94 G HN 0.356 nan 8.290 nan 0.000 0.620 95 W N 2.297 123.943 121.300 0.576 0.000 4.511 95 W HA 0.275 4.934 4.660 -0.001 0.000 0.159 95 W C 0.949 177.657 176.519 0.315 0.000 3.471 95 W CA 0.998 58.654 57.345 0.517 0.000 1.173 95 W CB -0.800 29.054 29.460 0.657 0.000 2.090 95 W HN 0.526 nan 8.180 nan 0.000 0.393 96 I N 1.861 122.465 120.570 0.056 0.000 2.852 96 I HA 0.146 4.315 4.170 -0.001 0.000 0.264 96 I C 0.524 176.528 176.117 -0.189 0.000 1.179 96 I CA 1.073 62.220 61.300 -0.255 0.000 1.480 96 I CB -1.118 36.676 38.000 -0.343 0.000 1.111 96 I HN 0.086 nan 8.210 nan 0.000 0.441 97 Q N -0.023 119.489 119.800 -0.479 0.000 2.445 97 Q HA 0.377 4.717 4.340 -0.001 0.000 0.281 97 Q C 0.100 175.865 176.000 -0.392 0.000 1.101 97 Q CA -0.628 54.858 55.803 -0.529 0.000 0.833 97 Q CB 2.122 30.246 28.738 -1.023 0.000 1.416 97 Q HN 0.239 nan 8.270 nan 0.000 0.451 98 T N -2.215 112.220 114.554 -0.199 0.000 2.788 98 T HA 0.135 4.485 4.350 -0.001 0.000 0.287 98 T C 0.803 175.589 174.700 0.143 0.000 1.007 98 T CA -0.493 61.556 62.100 -0.085 0.000 1.005 98 T CB 0.311 69.157 68.868 -0.038 0.000 1.012 98 T HN 0.569 nan 8.240 nan 0.000 0.530 99 F N 1.244 121.260 119.950 0.109 0.000 2.063 99 F HA -0.172 4.354 4.527 -0.001 0.000 0.298 99 F C 2.474 178.458 175.800 0.308 0.000 1.109 99 F CA 2.445 60.583 58.000 0.230 0.000 1.212 99 F CB -0.377 38.658 39.000 0.057 0.000 0.973 99 F HN 0.773 nan 8.300 nan 0.000 0.480 100 E N 0.430 120.856 120.200 0.376 0.000 2.106 100 E HA -0.188 4.161 4.350 -0.001 0.000 0.192 100 E C 2.010 178.663 176.600 0.089 0.000 0.984 100 E CA 1.811 58.370 56.400 0.266 0.000 0.806 100 E CB -0.304 29.544 29.700 0.247 0.000 0.750 100 E HN 0.639 nan 8.360 nan 0.000 0.458 101 E N -1.006 119.175 120.200 -0.031 0.000 2.051 101 E HA -0.196 4.154 4.350 -0.001 0.000 0.192 101 E C 1.912 178.297 176.600 -0.358 0.000 0.991 101 E CA 1.162 57.358 56.400 -0.340 0.000 0.799 101 E CB -0.297 29.250 29.700 -0.255 0.000 0.748 101 E HN 0.335 nan 8.360 nan 0.000 0.449 102 Y N -0.265 119.974 120.300 -0.102 0.000 2.181 102 Y HA -0.264 4.286 4.550 -0.001 0.000 0.288 102 Y C 2.259 178.101 175.900 -0.097 0.000 1.146 102 Y CA 1.235 59.279 58.100 -0.093 0.000 1.164 102 Y CB -0.802 37.709 38.460 0.086 0.000 0.982 102 Y HN 0.181 nan 8.280 nan 0.000 0.515 103 Y N 0.844 121.162 120.300 0.030 0.000 2.165 103 Y HA -0.280 4.269 4.550 -0.001 0.000 0.286 103 Y C 2.265 178.133 175.900 -0.054 0.000 1.155 103 Y CA 1.888 59.952 58.100 -0.061 0.000 1.164 103 Y CB -0.330 38.105 38.460 -0.042 0.000 0.978 103 Y HN 0.071 nan 8.280 nan 0.000 0.513 104 Q N -0.737 118.984 119.800 -0.131 0.000 2.123 104 Q HA -0.148 4.191 4.340 -0.001 0.000 0.199 104 Q C 2.092 178.114 176.000 0.037 0.000 0.966 104 Q CA 2.044 57.757 55.803 -0.149 0.000 0.845 104 Q CB -0.542 28.168 28.738 -0.047 0.000 0.907 104 Q HN 0.776 nan 8.270 nan 0.000 0.439 105 H N -0.719 118.374 119.070 0.039 0.000 2.482 105 H HA 0.051 4.606 4.556 -0.001 0.000 0.286 105 H C 0.843 176.269 175.328 0.163 0.000 1.017 105 H CA 0.620 56.725 56.048 0.095 0.000 1.322 105 H CB 0.696 30.479 29.762 0.036 0.000 1.426 105 H HN 0.211 nan 8.280 nan 0.000 0.546 106 D N -1.095 119.422 120.400 0.195 0.000 2.954 106 D HA 0.001 4.640 4.640 -0.001 0.000 0.266 106 D C 1.769 178.120 176.300 0.085 0.000 1.277 106 D CA 0.466 54.567 54.000 0.167 0.000 1.130 106 D CB -0.033 40.781 40.800 0.023 0.000 1.440 106 D HN 0.054 nan 8.370 nan 0.000 0.427 107 T N 2.780 117.307 114.554 -0.045 0.000 2.720 107 T HA -0.186 4.164 4.350 -0.001 0.000 0.268 107 T C 1.952 176.474 174.700 -0.298 0.000 1.037 107 T CA 1.793 63.813 62.100 -0.134 0.000 1.144 107 T CB -0.200 68.413 68.868 -0.426 0.000 0.864 107 T HN 0.267 nan 8.240 nan 0.000 0.444 108 K N 0.722 120.761 120.400 -0.602 0.000 2.147 108 K HA -0.163 4.156 4.320 -0.001 0.000 0.205 108 K C 1.964 178.294 176.600 -0.450 0.000 1.049 108 K CA 1.483 57.399 56.287 -0.619 0.000 0.936 108 K CB -0.396 31.520 32.500 -0.973 0.000 0.722 108 K HN 0.418 nan 8.250 nan 0.000 0.446 109 H N 1.001 120.001 119.070 -0.117 0.000 2.395 109 H HA 0.067 4.623 4.556 -0.001 0.000 0.299 109 H C 2.269 177.606 175.328 0.015 0.000 1.070 109 H CA 1.315 57.353 56.048 -0.015 0.000 1.356 109 H CB -0.133 29.645 29.762 0.026 0.000 1.401 109 H HN 0.194 nan 8.280 nan 0.000 0.524 110 I N 0.713 121.351 120.570 0.114 0.000 2.179 110 I HA -0.262 3.907 4.170 -0.001 0.000 0.242 110 I C 2.403 178.528 176.117 0.013 0.000 1.088 110 I CA 1.068 62.487 61.300 0.198 0.000 1.357 110 I CB -0.232 37.953 38.000 0.308 0.000 1.051 110 I HN 0.099 nan 8.210 nan 0.000 0.409 111 L N -0.440 120.562 121.223 -0.369 0.000 2.093 111 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 111 L C 2.734 179.240 176.870 -0.606 0.000 1.085 111 L CA 1.161 55.534 54.840 -0.779 0.000 0.755 111 L CB -0.534 40.486 42.059 -1.731 0.000 0.904 111 L HN 0.239 nan 8.230 nan 0.000 0.435 112 S N 0.240 115.724 115.700 -0.361 0.000 2.356 112 S HA -0.162 4.307 4.470 -0.001 0.000 0.223 112 S C 1.832 176.418 174.600 -0.023 0.000 1.032 112 S CA 1.507 59.748 58.200 0.069 0.000 1.005 112 S CB -0.172 63.133 63.200 0.176 0.000 0.867 112 S HN 0.435 nan 8.310 nan 0.000 0.449 113 N N 1.529 120.214 118.700 -0.025 0.000 2.331 113 N HA 0.075 4.815 4.740 -0.001 0.000 0.180 113 N C 1.828 177.036 175.510 -0.502 0.000 1.019 113 N CA 1.110 54.100 53.050 -0.100 0.000 0.881 113 N CB -0.704 37.849 38.487 0.111 0.000 0.972 113 N HN 0.522 nan 8.380 nan 0.000 0.435 114 A N 1.112 123.680 122.820 -0.420 0.000 1.902 114 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 114 A C 2.208 179.511 177.584 -0.468 0.000 1.181 114 A CA 0.882 52.498 52.037 -0.703 0.000 0.623 114 A CB -0.649 18.204 19.000 -0.245 0.000 0.818 114 A HN 0.222 nan 8.150 nan 0.000 0.443 115 L N 0.102 121.194 121.223 -0.218 0.000 2.017 115 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 115 L C 2.456 179.243 176.870 -0.138 0.000 1.073 115 L CA 2.548 57.336 54.840 -0.088 0.000 0.745 115 L CB -0.708 41.376 42.059 0.041 0.000 0.894 115 L HN 0.497 nan 8.230 nan 0.000 0.432 116 R N -1.626 118.756 120.500 -0.197 0.000 2.070 116 R HA -0.195 4.144 4.340 -0.001 0.000 0.233 116 R C 2.413 178.509 176.300 -0.340 0.000 1.137 116 R CA 1.761 57.723 56.100 -0.230 0.000 0.945 116 R CB -0.579 29.584 30.300 -0.228 0.000 0.845 116 R HN 0.552 nan 8.270 nan 0.000 0.430 117 H N 0.484 119.263 119.070 -0.484 0.000 2.353 117 H HA -0.101 4.455 4.556 -0.001 0.000 0.300 117 H C 2.224 177.328 175.328 -0.373 0.000 1.090 117 H CA 1.804 57.540 56.048 -0.520 0.000 1.327 117 H CB 0.014 29.187 29.762 -0.982 0.000 1.383 117 H HN 0.264 nan 8.280 nan 0.000 0.508 118 L N -0.248 120.787 121.223 -0.314 0.000 2.109 118 L HA -0.153 4.187 4.340 -0.001 0.000 0.207 118 L C 2.732 179.554 176.870 -0.079 0.000 1.086 118 L CA 0.875 55.617 54.840 -0.163 0.000 0.760 118 L CB -0.612 41.369 42.059 -0.130 0.000 0.910 118 L HN 0.378 nan 8.230 nan 0.000 0.437 119 H N 0.765 119.748 119.070 -0.145 0.000 2.319 119 H HA -0.194 4.361 4.556 -0.001 0.000 0.299 119 H C 1.240 176.512 175.328 -0.094 0.000 1.092 119 H CA 1.996 57.987 56.048 -0.096 0.000 1.302 119 H CB 0.231 29.936 29.762 -0.094 0.000 1.373 119 H HN 0.322 nan 8.280 nan 0.000 0.497 120 D N 0.358 120.703 120.400 -0.092 0.000 2.323 120 D HA -0.007 4.633 4.640 -0.001 0.000 0.209 120 D C -0.008 176.233 176.300 -0.098 0.000 0.973 120 D CA 0.449 54.378 54.000 -0.118 0.000 0.874 120 D CB 0.041 40.776 40.800 -0.108 0.000 0.930 120 D HN 0.336 nan 8.370 nan 0.000 0.521 121 N N 0.854 119.508 118.700 -0.076 0.000 2.746 121 N HA 0.142 4.882 4.740 -0.001 0.000 0.250 121 N C -2.132 173.372 175.510 -0.009 0.000 1.146 121 N CA -1.133 51.910 53.050 -0.011 0.000 0.828 121 N CB 2.346 40.859 38.487 0.042 0.000 1.158 121 N HN -0.149 nan 8.380 nan 0.000 0.519 122 P HA -0.169 nan 4.420 nan 0.000 0.217 122 P C 0.942 178.265 177.300 0.038 0.000 1.148 122 P CA 1.415 64.509 63.100 -0.010 0.000 0.834 122 P CB 0.504 32.195 31.700 -0.015 0.000 0.783 123 E N -1.792 118.460 120.200 0.087 0.000 2.442 123 E HA 0.040 4.389 4.350 -0.001 0.000 0.195 123 E C 0.911 177.638 176.600 0.211 0.000 1.030 123 E CA 0.098 56.592 56.400 0.157 0.000 0.869 123 E CB -0.493 29.334 29.700 0.211 0.000 0.857 123 E HN 0.264 nan 8.360 nan 0.000 0.505 124 M N 1.627 121.293 119.600 0.109 0.000 2.243 124 M HA 0.078 4.557 4.480 -0.001 0.000 0.341 124 M C -0.237 176.042 176.300 -0.034 0.000 1.130 124 M CA 0.277 55.541 55.300 -0.061 0.000 1.162 124 M CB 0.454 32.999 32.600 -0.092 0.000 1.497 124 M HN -0.344 nan 8.290 nan 0.000 0.456 125 K N 3.119 123.468 120.400 -0.086 0.000 2.444 125 K HA 0.663 4.983 4.320 -0.001 0.000 0.252 125 K C -1.700 174.938 176.600 0.063 0.000 0.993 125 K CA -0.516 55.775 56.287 0.007 0.000 0.847 125 K CB 2.223 34.750 32.500 0.046 0.000 1.340 125 K HN 0.670 nan 8.250 nan 0.000 0.446 126 F N 1.420 121.281 119.950 -0.149 0.000 2.672 126 F HA 0.423 4.949 4.527 -0.001 0.000 0.311 126 F C -1.537 174.149 175.800 -0.190 0.000 1.113 126 F CA -1.215 56.684 58.000 -0.169 0.000 0.996 126 F CB 1.004 39.981 39.000 -0.038 0.000 1.286 126 F HN 0.449 nan 8.300 nan 0.000 0.441 127 I N 1.882 122.085 120.570 -0.611 0.000 2.562 127 I HA 0.601 4.771 4.170 -0.001 0.000 0.301 127 I C -1.754 173.917 176.117 -0.745 0.000 1.003 127 I CA -0.609 60.309 61.300 -0.638 0.000 1.127 127 I CB 2.517 40.087 38.000 -0.716 0.000 1.304 127 I HN 0.711 nan 8.210 nan 0.000 0.446 128 W N 4.646 125.534 121.300 -0.686 0.000 2.839 128 W HA 0.628 5.287 4.660 -0.001 0.000 0.334 128 W C -0.683 175.739 176.519 -0.161 0.000 1.064 128 W CA -0.548 56.525 57.345 -0.452 0.000 1.236 128 W CB 2.676 31.932 29.460 -0.340 0.000 1.405 128 W HN 0.794 nan 8.180 nan 0.000 0.478 129 A N 3.452 125.904 122.820 -0.615 0.000 1.963 129 A HA 0.131 4.451 4.320 -0.001 0.000 0.207 129 A C 0.056 177.576 177.584 -0.107 0.000 1.243 129 A CA 0.554 52.452 52.037 -0.231 0.000 0.728 129 A CB -0.045 18.875 19.000 -0.133 0.000 0.895 129 A HN 0.507 nan 8.150 nan 0.000 0.467 130 E N 1.139 121.159 120.200 -0.299 0.000 1.996 130 E HA 0.285 4.634 4.350 -0.001 0.000 0.280 130 E C 0.493 177.248 176.600 0.259 0.000 1.092 130 E CA -0.290 56.112 56.400 0.004 0.000 0.862 130 E CB 0.583 30.278 29.700 -0.008 0.000 1.066 130 E HN 0.277 nan 8.360 nan 0.000 0.396 131 I N 1.456 122.079 120.570 0.088 0.000 2.614 131 I HA -0.223 3.946 4.170 -0.001 0.000 0.258 131 I C 1.928 177.698 176.117 -0.578 0.000 1.189 131 I CA 1.008 62.277 61.300 -0.052 0.000 1.462 131 I CB -1.470 36.554 38.000 0.039 0.000 1.092 131 I HN 0.403 nan 8.210 nan 0.000 0.442 132 S N 0.500 115.595 115.700 -1.009 0.000 2.370 132 S HA -0.246 4.224 4.470 -0.001 0.000 0.226 132 S C 2.202 176.499 174.600 -0.505 0.000 1.033 132 S CA 1.202 58.403 58.200 -1.664 0.000 1.011 132 S CB -1.084 61.205 63.200 -1.518 0.000 0.852 132 S HN 0.480 nan 8.310 nan 0.000 0.457 133 Y N -0.018 120.282 120.300 0.001 0.000 2.220 133 Y HA 0.058 4.607 4.550 -0.001 0.000 0.291 133 Y C 2.286 178.233 175.900 0.077 0.000 1.129 133 Y CA 0.967 59.165 58.100 0.162 0.000 1.161 133 Y CB -0.335 38.331 38.460 0.343 0.000 0.997 133 Y HN 0.290 nan 8.280 nan 0.000 0.522 134 F N 0.192 120.218 119.950 0.128 0.000 2.134 134 F HA -0.230 4.297 4.527 -0.001 0.000 0.299 134 F C 2.339 177.960 175.800 -0.300 0.000 1.097 134 F CA 1.246 59.195 58.000 -0.086 0.000 1.264 134 F CB -0.480 38.474 39.000 -0.076 0.000 1.001 134 F HN -0.018 nan 8.300 nan 0.000 0.479 135 A N 0.183 122.632 122.820 -0.618 0.000 1.902 135 A HA -0.227 4.093 4.320 -0.001 0.000 0.217 135 A C 2.166 179.603 177.584 -0.244 0.000 1.181 135 A CA 1.836 53.290 52.037 -0.973 0.000 0.623 135 A CB -0.771 17.533 19.000 -1.159 0.000 0.818 135 A HN 0.407 nan 8.150 nan 0.000 0.443 136 R N -1.109 119.297 120.500 -0.156 0.000 2.073 136 R HA -0.138 4.202 4.340 -0.001 0.000 0.234 136 R C 1.797 178.045 176.300 -0.087 0.000 1.134 136 R CA 2.042 58.074 56.100 -0.114 0.000 0.952 136 R CB -0.832 29.324 30.300 -0.239 0.000 0.850 136 R HN 0.465 nan 8.270 nan 0.000 0.433 137 F N -0.124 119.723 119.950 -0.172 0.000 2.060 137 F HA -0.164 4.362 4.527 -0.001 0.000 0.295 137 F C 1.978 177.685 175.800 -0.155 0.000 1.120 137 F CA 1.806 59.772 58.000 -0.057 0.000 1.205 137 F CB -0.932 37.968 39.000 -0.166 0.000 0.986 137 F HN 0.123 nan 8.300 nan 0.000 0.470 138 Y N 0.523 120.582 120.300 -0.401 0.000 2.151 138 Y HA -0.319 4.231 4.550 -0.001 0.000 0.284 138 Y C 2.800 178.487 175.900 -0.356 0.000 1.166 138 Y CA 2.426 60.279 58.100 -0.411 0.000 1.163 138 Y CB -0.797 37.550 38.460 -0.189 0.000 0.974 138 Y HN 0.169 nan 8.280 nan 0.000 0.511 139 H N -0.818 118.252 119.070 0.001 0.000 2.491 139 H HA -0.097 4.458 4.556 -0.001 0.000 0.290 139 H C 1.211 176.442 175.328 -0.162 0.000 1.050 139 H CA 1.501 57.512 56.048 -0.061 0.000 1.309 139 H CB -0.119 29.658 29.762 0.024 0.000 1.392 139 H HN 0.452 nan 8.280 nan 0.000 0.554 140 D N 0.085 120.404 120.400 -0.135 0.000 2.348 140 D HA 0.054 4.693 4.640 -0.001 0.000 0.211 140 D C 0.716 176.841 176.300 -0.293 0.000 0.998 140 D CA 0.075 53.978 54.000 -0.163 0.000 0.873 140 D CB 0.263 40.998 40.800 -0.107 0.000 0.925 140 D HN 0.193 nan 8.370 nan 0.000 0.524 141 L N 0.597 121.541 121.223 -0.465 0.000 2.439 141 L HA 0.290 4.629 4.340 -0.001 0.000 0.269 141 L C 1.367 178.046 176.870 -0.318 0.000 1.179 141 L CA -0.526 54.031 54.840 -0.473 0.000 0.828 141 L CB 0.835 42.526 42.059 -0.614 0.000 1.106 141 L HN -0.023 nan 8.230 nan 0.000 0.467 142 G N 0.753 109.414 108.800 -0.233 0.000 2.606 142 G HA2 0.044 4.003 3.960 -0.001 0.000 0.252 142 G HA3 0.044 4.003 3.960 -0.001 0.000 0.252 142 G C 0.640 175.441 174.900 -0.164 0.000 1.206 142 G CA -0.306 44.699 45.100 -0.159 0.000 0.861 142 G HN 0.787 nan 8.290 nan 0.000 0.561 143 E N 0.134 120.268 120.200 -0.111 0.000 2.118 143 E HA -0.206 4.144 4.350 -0.001 0.000 0.195 143 E C 2.176 178.735 176.600 -0.067 0.000 0.992 143 E CA 1.600 57.950 56.400 -0.083 0.000 0.804 143 E CB -0.113 29.564 29.700 -0.038 0.000 0.741 143 E HN 0.608 nan 8.360 nan 0.000 0.458 144 N N -0.032 118.628 118.700 -0.066 0.000 2.120 144 N HA -0.179 4.560 4.740 -0.001 0.000 0.188 144 N C 1.367 176.839 175.510 -0.064 0.000 1.024 144 N CA 1.208 54.226 53.050 -0.053 0.000 0.852 144 N CB 0.045 38.499 38.487 -0.055 0.000 1.003 144 N HN 0.018 nan 8.380 nan 0.000 0.424 145 K N 1.269 121.610 120.400 -0.099 0.000 2.155 145 K HA -0.006 4.314 4.320 -0.001 0.000 0.203 145 K C 1.971 178.531 176.600 -0.067 0.000 1.052 145 K CA 0.577 56.806 56.287 -0.097 0.000 0.948 145 K CB -0.153 32.266 32.500 -0.135 0.000 0.728 145 K HN 0.318 nan 8.250 nan 0.000 0.448 146 K N 0.767 121.084 120.400 -0.139 0.000 2.097 146 K HA -0.047 4.272 4.320 -0.001 0.000 0.206 146 K C 2.203 178.877 176.600 0.124 0.000 1.049 146 K CA 0.948 57.160 56.287 -0.124 0.000 0.933 146 K CB -0.128 32.184 32.500 -0.314 0.000 0.717 146 K HN 0.061 nan 8.250 nan 0.000 0.442 147 L N 0.797 122.061 121.223 0.068 0.000 2.109 147 L HA -0.175 4.165 4.340 -0.001 0.000 0.207 147 L C 2.502 179.440 176.870 0.113 0.000 1.086 147 L CA 1.144 56.044 54.840 0.101 0.000 0.760 147 L CB -0.369 41.726 42.059 0.060 0.000 0.910 147 L HN 0.232 nan 8.230 nan 0.000 0.437 148 Q N -0.703 119.145 119.800 0.080 0.000 2.084 148 Q HA -0.258 4.081 4.340 -0.001 0.000 0.202 148 Q C 2.204 178.297 176.000 0.156 0.000 0.978 148 Q CA 1.672 57.534 55.803 0.099 0.000 0.844 148 Q CB -0.170 28.567 28.738 -0.001 0.000 0.898 148 Q HN 0.351 nan 8.270 nan 0.000 0.426 149 M N 1.165 120.883 119.600 0.196 0.000 2.086 149 M HA -0.153 4.326 4.480 -0.001 0.000 0.261 149 M C 1.626 178.114 176.300 0.313 0.000 1.067 149 M CA 1.772 57.253 55.300 0.303 0.000 1.116 149 M CB 0.013 32.890 32.600 0.461 0.000 1.348 149 M HN -0.104 nan 8.290 nan 0.000 0.407 150 K N -0.376 120.211 120.400 0.312 0.000 2.103 150 K HA -0.141 4.178 4.320 -0.001 0.000 0.207 150 K C 2.088 178.790 176.600 0.170 0.000 1.048 150 K CA 1.738 58.174 56.287 0.248 0.000 0.930 150 K CB -0.401 32.229 32.500 0.217 0.000 0.716 150 K HN 0.617 nan 8.250 nan 0.000 0.444 151 S N 1.472 117.261 115.700 0.149 0.000 2.406 151 S HA -0.093 4.376 4.470 -0.001 0.000 0.228 151 S C 2.052 176.708 174.600 0.094 0.000 1.020 151 S CA 0.871 59.136 58.200 0.108 0.000 0.965 151 S CB -0.615 62.644 63.200 0.099 0.000 0.798 151 S HN 0.450 nan 8.310 nan 0.000 0.488 152 I N -0.677 119.959 120.570 0.111 0.000 3.111 152 I HA 0.120 4.290 4.170 -0.001 0.000 0.272 152 I C 1.856 178.008 176.117 0.058 0.000 1.268 152 I CA 0.388 61.733 61.300 0.074 0.000 1.467 152 I CB -0.310 37.734 38.000 0.072 0.000 1.087 152 I HN 0.131 nan 8.210 nan 0.000 0.467 153 V N 1.575 121.544 119.914 0.092 0.000 2.379 153 V HA -0.160 3.959 4.120 -0.001 0.000 0.243 153 V C 2.680 178.811 176.094 0.062 0.000 1.035 153 V CA 1.826 64.169 62.300 0.073 0.000 1.035 153 V CB -0.602 31.330 31.823 0.182 0.000 0.673 153 V HN 0.433 nan 8.190 nan 0.000 0.457 154 K N 1.599 122.044 120.400 0.075 0.000 2.103 154 K HA -0.243 4.076 4.320 -0.001 0.000 0.207 154 K C 1.743 178.361 176.600 0.030 0.000 1.048 154 K CA 2.026 58.344 56.287 0.052 0.000 0.930 154 K CB -0.268 32.264 32.500 0.054 0.000 0.716 154 K HN 0.651 nan 8.250 nan 0.000 0.444 155 N N -0.444 118.274 118.700 0.029 0.000 2.461 155 N HA -0.017 4.722 4.740 -0.001 0.000 0.188 155 N C 0.920 176.432 175.510 0.005 0.000 1.134 155 N CA 1.188 54.248 53.050 0.015 0.000 0.878 155 N CB 0.298 38.794 38.487 0.015 0.000 0.972 155 N HN 0.391 nan 8.380 nan 0.000 0.456 156 G N -0.324 108.475 108.800 -0.002 0.000 2.176 156 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.253 156 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.253 156 G C 0.829 175.713 174.900 -0.027 0.000 0.979 156 G CA 0.460 45.548 45.100 -0.020 0.000 0.641 156 G HN 0.456 nan 8.290 nan 0.000 0.530 157 Q N -0.948 118.844 119.800 -0.014 0.000 2.096 157 Q HA 0.253 4.593 4.340 -0.001 0.000 0.197 157 Q C 1.321 177.308 176.000 -0.022 0.000 0.964 157 Q CA 0.842 56.640 55.803 -0.008 0.000 0.838 157 Q CB 0.261 28.998 28.738 -0.000 0.000 0.906 157 Q HN 0.549 nan 8.270 nan 0.000 0.444 158 L N 1.486 122.678 121.223 -0.053 0.000 2.287 158 L HA 0.371 4.710 4.340 -0.001 0.000 0.287 158 L C -1.107 175.582 176.870 -0.301 0.000 1.022 158 L CA -0.223 54.542 54.840 -0.124 0.000 0.814 158 L CB 1.457 43.460 42.059 -0.095 0.000 1.217 158 L HN 0.058 nan 8.230 nan 0.000 0.420 159 E N 4.627 124.603 120.200 -0.374 0.000 2.234 159 E HA 0.360 4.709 4.350 -0.001 0.000 0.266 159 E C -1.633 174.672 176.600 -0.492 0.000 0.877 159 E CA -0.710 55.464 56.400 -0.377 0.000 0.758 159 E CB 1.557 31.134 29.700 -0.205 0.000 1.170 159 E HN 0.469 nan 8.360 nan 0.000 0.415 160 F N 3.246 123.143 119.950 -0.089 0.000 2.427 160 F HA 0.237 4.764 4.527 -0.001 0.000 0.352 160 F C 0.301 176.066 175.800 -0.058 0.000 1.100 160 F CA -0.620 57.338 58.000 -0.069 0.000 1.191 160 F CB 1.272 40.245 39.000 -0.045 0.000 1.128 160 F HN 0.191 nan 8.300 nan 0.000 0.533 161 V N 0.096 120.063 119.914 0.087 0.000 2.459 161 V HA 0.615 4.734 4.120 -0.001 0.000 0.295 161 V C 0.279 176.499 176.094 0.209 0.000 1.029 161 V CA -0.528 61.825 62.300 0.089 0.000 0.874 161 V CB 0.892 32.658 31.823 -0.096 0.000 0.985 161 V HN 1.000 nan 8.190 nan 0.000 0.438 162 T N 3.192 117.950 114.554 0.340 0.000 12.940 162 T HA -0.305 4.044 4.350 -0.001 0.000 0.419 162 T C 1.687 176.616 174.700 0.381 0.000 1.444 162 T CA 2.910 65.254 62.100 0.408 0.000 2.373 162 T CB -1.670 67.329 68.868 0.218 0.000 2.821 162 T HN 2.785 nan 8.240 nan 0.000 0.696 163 G N 1.843 110.803 108.800 0.266 0.000 2.147 163 G HA2 0.109 4.068 3.960 -0.001 0.000 0.244 163 G HA3 0.109 4.068 3.960 -0.001 0.000 0.244 163 G C 0.265 175.301 174.900 0.226 0.000 1.005 163 G CA 0.583 45.816 45.100 0.221 0.000 0.713 163 G HN 1.526 nan 8.290 nan 0.000 0.515 164 G N -1.741 107.190 108.800 0.218 0.000 2.537 164 G HA2 0.399 4.359 3.960 -0.001 0.000 0.273 164 G HA3 0.399 4.359 3.960 -0.001 0.000 0.273 164 G C 0.919 175.987 174.900 0.280 0.000 1.189 164 G CA 0.076 45.316 45.100 0.233 0.000 0.881 164 G HN 0.347 nan 8.290 nan 0.000 0.535 165 W N 0.477 121.821 121.300 0.072 0.000 2.350 165 W HA -0.011 4.649 4.660 -0.001 0.000 0.289 165 W C 0.573 177.121 176.519 0.049 0.000 1.215 165 W CA 1.834 59.208 57.345 0.048 0.000 1.236 165 W CB 0.273 29.744 29.460 0.019 0.000 1.130 165 W HN 0.407 nan 8.180 nan 0.000 0.541 166 V N -2.739 117.288 119.914 0.189 0.000 3.103 166 V HA 0.503 4.623 4.120 -0.001 0.000 0.311 166 V C -0.537 175.642 176.094 0.143 0.000 1.322 166 V CA -1.278 61.083 62.300 0.100 0.000 1.063 166 V CB 1.747 33.648 31.823 0.130 0.000 1.090 166 V HN -0.076 nan 8.190 nan 0.000 0.462 167 M N 3.957 123.675 119.600 0.196 0.000 2.060 167 M HA 0.533 5.013 4.480 -0.001 0.000 0.342 167 M C -2.746 173.723 176.300 0.281 0.000 1.031 167 M CA -1.898 53.529 55.300 0.212 0.000 0.981 167 M CB 1.612 34.361 32.600 0.248 0.000 1.376 167 M HN 0.687 nan 8.290 nan 0.000 0.397 168 P HA 0.127 nan 4.420 nan 0.000 0.274 168 P C -0.999 176.310 177.300 0.014 0.000 1.246 168 P CA -0.157 62.996 63.100 0.088 0.000 0.795 168 P CB 0.623 32.357 31.700 0.057 0.000 1.006 169 D N 0.222 120.589 120.400 -0.055 0.000 2.423 169 D HA -0.033 4.606 4.640 -0.001 0.000 0.238 169 D C 0.608 176.909 176.300 0.002 0.000 1.142 169 D CA 0.471 54.410 54.000 -0.102 0.000 0.884 169 D CB 0.411 41.158 40.800 -0.088 0.000 1.199 169 D HN 0.301 nan 8.370 nan 0.000 0.438 170 E N 1.321 121.569 120.200 0.081 0.000 2.526 170 E HA 0.200 4.550 4.350 -0.001 0.000 0.208 170 E C 0.810 177.577 176.600 0.277 0.000 0.997 170 E CA -0.031 56.485 56.400 0.193 0.000 0.961 170 E CB 0.728 30.563 29.700 0.225 0.000 1.030 170 E HN 0.489 nan 8.360 nan 0.000 0.483 171 A N 1.411 124.340 122.820 0.183 0.000 1.887 171 A HA 0.014 4.333 4.320 -0.001 0.000 0.210 171 A C 1.819 179.280 177.584 -0.206 0.000 1.221 171 A CA 0.575 52.501 52.037 -0.186 0.000 0.635 171 A CB 0.011 18.860 19.000 -0.251 0.000 0.881 171 A HN 0.041 nan 8.150 nan 0.000 0.456 172 N N 0.832 119.493 118.700 -0.065 0.000 2.405 172 N HA -0.004 4.736 4.740 -0.001 0.000 0.175 172 N C 0.551 176.037 175.510 -0.039 0.000 1.051 172 N CA 0.792 53.803 53.050 -0.066 0.000 0.899 172 N CB -0.066 38.424 38.487 0.005 0.000 1.000 172 N HN 0.506 nan 8.380 nan 0.000 0.451 173 S N 0.907 116.594 115.700 -0.021 0.000 2.562 173 S HA 0.005 4.475 4.470 -0.001 0.000 0.281 173 S C 0.033 174.636 174.600 0.004 0.000 1.333 173 S CA -0.513 57.686 58.200 -0.001 0.000 1.052 173 S CB 1.026 64.229 63.200 0.005 0.000 0.884 173 S HN 0.216 nan 8.310 nan 0.000 0.506 174 H N 3.386 122.428 119.070 -0.048 0.000 2.582 174 H HA 0.062 4.617 4.556 -0.001 0.000 0.345 174 H C 1.232 176.520 175.328 -0.066 0.000 1.104 174 H CA -0.408 55.596 56.048 -0.072 0.000 1.390 174 H CB 0.554 30.226 29.762 -0.151 0.000 1.461 174 H HN 1.027 nan 8.280 nan 0.000 0.551 175 W N 5.740 126.963 121.300 -0.129 0.000 2.350 175 W HA -0.164 4.495 4.660 -0.001 0.000 0.289 175 W C 1.064 177.660 176.519 0.127 0.000 1.215 175 W CA 0.339 57.678 57.345 -0.009 0.000 1.236 175 W CB -0.479 28.924 29.460 -0.094 0.000 1.130 175 W HN 0.531 nan 8.180 nan 0.000 0.541 176 R N 0.831 120.931 120.500 -0.666 0.000 2.096 176 R HA -0.142 4.197 4.340 -0.001 0.000 0.235 176 R C 2.000 178.131 176.300 -0.282 0.000 1.127 176 R CA 1.939 57.554 56.100 -0.809 0.000 0.968 176 R CB -0.446 29.312 30.300 -0.904 0.000 0.861 176 R HN 0.138 nan 8.270 nan 0.000 0.440 177 N N -0.172 118.445 118.700 -0.138 0.000 2.354 177 N HA -0.057 4.682 4.740 -0.001 0.000 0.179 177 N C 1.686 177.195 175.510 -0.002 0.000 1.021 177 N CA 0.663 53.676 53.050 -0.062 0.000 0.887 177 N CB 0.040 38.508 38.487 -0.032 0.000 0.974 177 N HN 0.010 nan 8.380 nan 0.000 0.437 178 V N 1.275 121.211 119.914 0.037 0.000 2.358 178 V HA -0.149 3.970 4.120 -0.001 0.000 0.246 178 V C 2.291 178.430 176.094 0.075 0.000 1.047 178 V CA 0.982 63.324 62.300 0.071 0.000 1.035 178 V CB -0.416 31.470 31.823 0.106 0.000 0.658 178 V HN 0.185 nan 8.190 nan 0.000 0.452 179 L N -0.265 121.014 121.223 0.093 0.000 2.056 179 L HA -0.103 4.237 4.340 -0.001 0.000 0.207 179 L C 2.180 179.065 176.870 0.026 0.000 1.078 179 L CA 1.804 56.695 54.840 0.085 0.000 0.749 179 L CB -0.721 41.424 42.059 0.144 0.000 0.901 179 L HN 0.276 nan 8.230 nan 0.000 0.433 180 L N 0.022 121.237 121.223 -0.012 0.000 1.990 180 L HA -0.269 4.070 4.340 -0.001 0.000 0.213 180 L C 2.601 179.466 176.870 -0.009 0.000 1.072 180 L CA 2.452 57.274 54.840 -0.030 0.000 0.755 180 L CB -0.842 41.179 42.059 -0.063 0.000 0.889 180 L HN 0.691 nan 8.230 nan 0.000 0.432 181 Q N -1.006 118.809 119.800 0.025 0.000 2.167 181 Q HA -0.192 4.147 4.340 -0.001 0.000 0.202 181 Q C 2.024 178.110 176.000 0.144 0.000 0.970 181 Q CA 2.037 57.891 55.803 0.085 0.000 0.855 181 Q CB -1.173 27.648 28.738 0.138 0.000 0.911 181 Q HN 0.481 nan 8.270 nan 0.000 0.438 182 L N 0.846 122.137 121.223 0.114 0.000 2.017 182 L HA -0.100 4.240 4.340 -0.001 0.000 0.208 182 L C 1.926 178.879 176.870 0.139 0.000 1.073 182 L CA 2.480 57.400 54.840 0.133 0.000 0.745 182 L CB -1.026 41.089 42.059 0.092 0.000 0.894 182 L HN 0.332 nan 8.230 nan 0.000 0.432 183 T N -0.973 113.632 114.554 0.084 0.000 2.788 183 T HA -0.181 4.168 4.350 -0.001 0.000 0.268 183 T C 1.725 176.484 174.700 0.097 0.000 1.044 183 T CA 1.425 63.567 62.100 0.070 0.000 1.139 183 T CB -0.179 68.698 68.868 0.016 0.000 0.867 183 T HN 0.342 nan 8.240 nan 0.000 0.454 184 E N 1.006 121.242 120.200 0.061 0.000 2.077 184 E HA -0.040 4.310 4.350 -0.001 0.000 0.193 184 E C 2.332 179.074 176.600 0.235 0.000 0.989 184 E CA 1.514 57.914 56.400 -0.000 0.000 0.800 184 E CB -0.833 28.696 29.700 -0.285 0.000 0.746 184 E HN 0.451 nan 8.360 nan 0.000 0.452 185 G N -0.151 108.878 108.800 0.382 0.000 2.394 185 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.215 185 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.215 185 G C 1.473 176.596 174.900 0.371 0.000 1.165 185 G CA 0.593 45.997 45.100 0.507 0.000 0.784 185 G HN 0.257 nan 8.290 nan 0.000 0.535 186 Q N -0.123 119.831 119.800 0.257 0.000 2.167 186 Q HA -0.059 4.280 4.340 -0.001 0.000 0.202 186 Q C 2.749 178.848 176.000 0.165 0.000 0.970 186 Q CA 1.426 57.340 55.803 0.184 0.000 0.855 186 Q CB -0.186 28.642 28.738 0.150 0.000 0.911 186 Q HN 0.405 nan 8.270 nan 0.000 0.438 187 T N 0.051 114.718 114.554 0.187 0.000 2.777 187 T HA -0.168 4.182 4.350 -0.001 0.000 0.266 187 T C 1.075 175.884 174.700 0.182 0.000 1.040 187 T CA 0.952 63.139 62.100 0.146 0.000 1.141 187 T CB -0.326 68.624 68.868 0.136 0.000 0.868 187 T HN 0.470 nan 8.240 nan 0.000 0.444 188 W N 1.630 123.040 121.300 0.182 0.000 2.355 188 W HA -0.023 4.636 4.660 -0.001 0.000 0.309 188 W C 1.788 178.440 176.519 0.222 0.000 1.206 188 W CA 0.885 58.421 57.345 0.318 0.000 1.284 188 W CB -0.470 29.237 29.460 0.412 0.000 1.145 188 W HN 0.129 nan 8.180 nan 0.000 0.502 189 L N 0.660 122.096 121.223 0.354 0.000 2.042 189 L HA -0.262 4.077 4.340 -0.001 0.000 0.210 189 L C 2.620 179.424 176.870 -0.109 0.000 1.076 189 L CA 1.953 56.829 54.840 0.059 0.000 0.749 189 L CB -0.940 41.096 42.059 -0.039 0.000 0.893 189 L HN -0.006 nan 8.230 nan 0.000 0.432 190 K N -0.180 120.180 120.400 -0.067 0.000 2.057 190 K HA -0.259 4.061 4.320 -0.001 0.000 0.207 190 K C 2.201 178.677 176.600 -0.207 0.000 1.049 190 K CA 1.560 57.785 56.287 -0.105 0.000 0.931 190 K CB -0.041 32.422 32.500 -0.062 0.000 0.714 190 K HN 0.254 nan 8.250 nan 0.000 0.440 191 Q N -0.757 118.860 119.800 -0.306 0.000 2.020 191 Q HA -0.148 4.191 4.340 -0.001 0.000 0.202 191 Q C 1.612 177.152 176.000 -0.767 0.000 0.982 191 Q CA 1.866 57.334 55.803 -0.557 0.000 0.838 191 Q CB 0.025 28.320 28.738 -0.739 0.000 0.899 191 Q HN 0.339 nan 8.270 nan 0.000 0.423 192 F N -1.602 117.976 119.950 -0.621 0.000 2.656 192 F HA 0.103 4.629 4.527 -0.001 0.000 0.291 192 F C 1.824 177.313 175.800 -0.517 0.000 1.122 192 F CA 0.148 57.730 58.000 -0.697 0.000 1.427 192 F CB 0.410 38.586 39.000 -1.374 0.000 1.125 192 F HN 0.086 nan 8.300 nan 0.000 0.583 193 M N -0.703 118.737 119.600 -0.266 0.000 2.308 193 M HA 0.191 4.670 4.480 -0.001 0.000 0.269 193 M C 0.307 176.580 176.300 -0.046 0.000 1.040 193 M CA 0.302 55.546 55.300 -0.093 0.000 1.024 193 M CB -0.744 31.826 32.600 -0.051 0.000 1.465 193 M HN 0.147 nan 8.290 nan 0.000 0.517 194 N N 1.728 120.368 118.700 -0.099 0.000 2.740 194 N HA -0.139 4.601 4.740 -0.001 0.000 0.248 194 N C -1.043 174.447 175.510 -0.033 0.000 1.062 194 N CA 0.768 53.777 53.050 -0.068 0.000 0.704 194 N CB -1.056 37.404 38.487 -0.046 0.000 0.968 194 N HN 0.318 nan 8.380 nan 0.000 0.547 195 V N -3.809 116.086 119.914 -0.032 0.000 2.971 195 V HA 0.856 4.976 4.120 -0.001 0.000 0.309 195 V C -0.024 176.055 176.094 -0.025 0.000 1.130 195 V CA -0.418 61.879 62.300 -0.005 0.000 0.964 195 V CB 2.266 34.130 31.823 0.068 0.000 1.029 195 V HN 0.064 nan 8.190 nan 0.000 0.427 196 T N 4.228 118.758 114.554 -0.040 0.000 2.963 196 T HA 0.559 4.908 4.350 -0.001 0.000 0.328 196 T C -2.716 171.901 174.700 -0.139 0.000 1.048 196 T CA -0.790 61.267 62.100 -0.073 0.000 1.033 196 T CB 1.293 70.109 68.868 -0.087 0.000 1.010 196 T HN 0.767 nan 8.240 nan 0.000 0.469 197 P HA 0.125 nan 4.420 nan 0.000 0.265 197 P C 0.856 177.777 177.300 -0.631 0.000 1.187 197 P CA -0.017 62.972 63.100 -0.185 0.000 0.766 197 P CB 0.526 32.235 31.700 0.015 0.000 0.820 198 T N -1.414 112.829 114.554 -0.518 0.000 3.040 198 T HA 0.528 4.877 4.350 -0.001 0.000 0.266 198 T C 0.355 174.874 174.700 -0.303 0.000 1.005 198 T CA -0.262 61.406 62.100 -0.721 0.000 0.906 198 T CB 0.175 68.829 68.868 -0.357 0.000 1.082 198 T HN 0.403 nan 8.240 nan 0.000 0.531 199 A N 0.883 123.688 122.820 -0.026 0.000 2.331 199 A HA 0.803 5.122 4.320 -0.001 0.000 0.320 199 A C -0.123 177.730 177.584 0.449 0.000 1.138 199 A CA -0.691 51.481 52.037 0.224 0.000 0.790 199 A CB 1.793 20.936 19.000 0.238 0.000 1.206 199 A HN 0.269 nan 8.150 nan 0.000 0.470 200 S N 2.055 118.001 115.700 0.409 0.000 2.593 200 S HA 0.714 5.183 4.470 -0.001 0.000 0.297 200 S C -1.171 173.616 174.600 0.311 0.000 1.112 200 S CA -0.437 57.941 58.200 0.295 0.000 1.043 200 S CB 0.848 64.039 63.200 -0.015 0.000 1.054 200 S HN 0.868 nan 8.310 nan 0.000 0.516 201 W N 4.118 125.428 121.300 0.016 0.000 2.687 201 W HA 0.627 5.287 4.660 -0.001 0.000 0.328 201 W C -1.706 174.756 176.519 -0.095 0.000 1.012 201 W CA -0.789 56.521 57.345 -0.058 0.000 1.262 201 W CB 1.086 30.486 29.460 -0.100 0.000 1.331 201 W HN 0.792 nan 8.180 nan 0.000 0.433 202 A N 7.914 130.576 122.820 -0.264 0.000 2.646 202 A HA 0.346 4.665 4.320 -0.001 0.000 0.312 202 A C 0.160 177.487 177.584 -0.429 0.000 1.245 202 A CA -0.497 51.395 52.037 -0.241 0.000 0.755 202 A CB -0.168 18.816 19.000 -0.028 0.000 1.132 202 A HN 0.722 nan 8.150 nan 0.000 0.458 203 I N -2.443 117.711 120.570 -0.693 0.000 3.968 203 I HA 0.340 4.510 4.170 -0.001 0.000 0.328 203 I C 0.634 176.425 176.117 -0.544 0.000 1.290 203 I CA 0.579 61.433 61.300 -0.742 0.000 1.163 203 I CB 0.528 37.812 38.000 -1.194 0.000 1.024 203 I HN 0.333 nan 8.210 nan 0.000 0.413 204 D N 0.574 120.612 120.400 -0.604 0.000 2.498 204 D HA 0.258 4.898 4.640 -0.001 0.000 0.223 204 D C -2.191 173.753 176.300 -0.592 0.000 1.125 204 D CA -0.847 52.825 54.000 -0.547 0.000 0.835 204 D CB 0.127 40.533 40.800 -0.656 0.000 1.086 204 D HN 0.191 nan 8.370 nan 0.000 0.510 205 P HA 0.034 nan 4.420 nan 0.000 0.267 205 P C -0.511 176.382 177.300 -0.678 0.000 1.200 205 P CA 0.037 62.635 63.100 -0.837 0.000 0.772 205 P CB 0.202 31.532 31.700 -0.616 0.000 0.855 206 F N 2.084 121.786 119.950 -0.414 0.000 2.605 206 F HA 0.539 5.065 4.527 -0.001 0.000 0.352 206 F C 1.410 177.146 175.800 -0.107 0.000 1.236 206 F CA -0.787 56.933 58.000 -0.466 0.000 1.267 206 F CB -1.244 37.636 39.000 -0.200 0.000 1.632 206 F HN 0.490 nan 8.300 nan 0.000 0.639 207 G N 1.253 109.814 108.800 -0.398 0.000 2.629 207 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.686 207 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.686 207 G C -1.475 173.038 174.900 -0.644 0.000 1.232 207 G CA -1.166 43.791 45.100 -0.238 0.000 0.803 207 G HN 0.617 nan 8.290 nan 0.000 0.638 208 H N -0.514 118.224 119.070 -0.554 0.000 2.690 208 H HA 0.771 5.327 4.556 -0.001 0.000 0.368 208 H C -0.263 174.914 175.328 -0.253 0.000 1.150 208 H CA 0.052 55.966 56.048 -0.223 0.000 1.174 208 H CB 2.080 31.891 29.762 0.081 0.000 1.684 208 H HN 0.702 nan 8.280 nan 0.000 0.538 209 S N 2.043 117.876 115.700 0.221 0.000 2.501 209 S HA 0.268 4.738 4.470 -0.001 0.000 0.301 209 S C -1.860 172.756 174.600 0.026 0.000 1.096 209 S CA -1.784 56.568 58.200 0.254 0.000 1.063 209 S CB 1.409 64.808 63.200 0.332 0.000 1.042 209 S HN 0.444 nan 8.310 nan 0.000 0.494 210 P HA 0.042 nan 4.420 nan 0.000 0.237 210 P C 1.050 178.073 177.300 -0.461 0.000 1.178 210 P CA 0.657 63.310 63.100 -0.744 0.000 0.766 210 P CB -0.257 31.169 31.700 -0.457 0.000 0.876 211 T N -0.199 114.231 114.554 -0.207 0.000 2.881 211 T HA -0.080 4.269 4.350 -0.001 0.000 0.270 211 T C 1.814 176.469 174.700 -0.075 0.000 1.068 211 T CA 1.146 63.175 62.100 -0.119 0.000 1.131 211 T CB -0.374 68.470 68.868 -0.040 0.000 0.871 211 T HN -0.009 nan 8.240 nan 0.000 0.479 212 M N 1.024 120.535 119.600 -0.148 0.000 2.064 212 M HA 0.008 4.487 4.480 -0.001 0.000 0.260 212 M C -0.594 175.574 176.300 -0.220 0.000 1.073 212 M CA 1.199 56.414 55.300 -0.143 0.000 1.124 212 M CB -2.512 30.028 32.600 -0.101 0.000 1.326 212 M HN 0.124 nan 8.290 nan 0.000 0.410 213 P HA -0.203 nan 4.420 nan 0.000 0.218 213 P C 1.649 178.834 177.300 -0.192 0.000 1.149 213 P CA 1.422 64.342 63.100 -0.300 0.000 0.817 213 P CB -0.409 31.028 31.700 -0.438 0.000 0.785 214 Y N 1.308 121.425 120.300 -0.305 0.000 2.097 214 Y HA -0.212 4.337 4.550 -0.001 0.000 0.282 214 Y C 2.436 178.256 175.900 -0.133 0.000 1.152 214 Y CA 1.721 59.702 58.100 -0.198 0.000 1.136 214 Y CB -1.011 37.347 38.460 -0.170 0.000 0.975 214 Y HN -0.237 nan 8.280 nan 0.000 0.498 215 I N -0.423 120.161 120.570 0.024 0.000 2.252 215 I HA -0.308 3.861 4.170 -0.001 0.000 0.245 215 I C 2.302 178.348 176.117 -0.118 0.000 1.102 215 I CA 1.197 62.475 61.300 -0.037 0.000 1.385 215 I CB -0.451 37.598 38.000 0.081 0.000 1.064 215 I HN 0.274 nan 8.210 nan 0.000 0.414 216 L N 0.132 121.243 121.223 -0.187 0.000 2.046 216 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 216 L C 2.698 179.560 176.870 -0.014 0.000 1.077 216 L CA 1.233 55.910 54.840 -0.271 0.000 0.747 216 L CB -0.735 40.981 42.059 -0.571 0.000 0.896 216 L HN 0.346 nan 8.230 nan 0.000 0.432 217 Q N 1.143 120.896 119.800 -0.078 0.000 2.226 217 Q HA -0.190 4.150 4.340 -0.001 0.000 0.204 217 Q C 1.520 177.479 176.000 -0.069 0.000 0.975 217 Q CA 1.446 57.221 55.803 -0.046 0.000 0.866 217 Q CB 0.142 28.824 28.738 -0.093 0.000 0.915 217 Q HN 0.471 nan 8.270 nan 0.000 0.440 218 K N -0.554 119.765 120.400 -0.136 0.000 2.417 218 K HA 0.140 4.459 4.320 -0.001 0.000 0.196 218 K C 0.519 177.079 176.600 -0.068 0.000 1.023 218 K CA -0.002 56.196 56.287 -0.149 0.000 1.122 218 K CB 0.597 32.931 32.500 -0.278 0.000 0.850 218 K HN -0.093 nan 8.250 nan 0.000 0.521 219 S N -0.242 115.475 115.700 0.028 0.000 2.855 219 S HA 0.198 4.667 4.470 -0.001 0.000 0.249 219 S C 0.757 175.449 174.600 0.154 0.000 1.033 219 S CA 0.118 58.380 58.200 0.104 0.000 1.038 219 S CB 1.321 64.628 63.200 0.178 0.000 0.960 219 S HN 0.534 nan 8.310 nan 0.000 0.548 220 G N 1.241 110.085 108.800 0.073 0.000 2.176 220 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.253 220 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.253 220 G C -0.004 174.867 174.900 -0.048 0.000 0.979 220 G CA -0.331 44.759 45.100 -0.017 0.000 0.641 220 G HN 0.444 nan 8.290 nan 0.000 0.530 221 F N 0.023 119.933 119.950 -0.068 0.000 2.450 221 F HA 0.621 5.148 4.527 -0.001 0.000 0.339 221 F C 1.421 177.162 175.800 -0.098 0.000 1.146 221 F CA 0.166 58.121 58.000 -0.075 0.000 1.267 221 F CB 1.085 40.045 39.000 -0.068 0.000 1.178 221 F HN -0.164 nan 8.300 nan 0.000 0.585 222 K N 0.747 121.161 120.400 0.024 0.000 2.425 222 K HA 0.243 4.562 4.320 -0.001 0.000 0.201 222 K C -0.833 175.704 176.600 -0.105 0.000 1.128 222 K CA -0.069 56.175 56.287 -0.072 0.000 1.000 222 K CB 0.185 32.596 32.500 -0.149 0.000 0.961 222 K HN 0.599 nan 8.250 nan 0.000 0.555 223 N N -0.407 118.216 118.700 -0.129 0.000 2.591 223 N HA 0.544 5.283 4.740 -0.001 0.000 0.263 223 N C -1.372 173.983 175.510 -0.258 0.000 1.308 223 N CA -0.785 52.032 53.050 -0.388 0.000 0.837 223 N CB 2.183 39.918 38.487 -1.254 0.000 1.548 223 N HN -0.094 nan 8.380 nan 0.000 0.493 224 M N -0.296 119.146 119.600 -0.263 0.000 2.578 224 M HA 0.619 5.099 4.480 -0.001 0.000 0.276 224 M C -2.122 174.220 176.300 0.071 0.000 1.245 224 M CA -0.931 54.347 55.300 -0.037 0.000 0.871 224 M CB 2.447 35.020 32.600 -0.045 0.000 1.722 224 M HN 0.509 nan 8.290 nan 0.000 0.473 225 L N 3.742 125.027 121.223 0.103 0.000 2.408 225 L HA 0.875 5.214 4.340 -0.001 0.000 0.268 225 L C -1.517 175.215 176.870 -0.230 0.000 0.986 225 L CA -0.723 54.136 54.840 0.031 0.000 0.820 225 L CB 2.020 44.148 42.059 0.115 0.000 1.303 225 L HN 0.939 nan 8.230 nan 0.000 0.411 226 I N 1.016 121.362 120.570 -0.373 0.000 2.934 226 I HA 0.621 4.790 4.170 -0.001 0.000 0.306 226 I C -0.652 175.158 176.117 -0.510 0.000 1.110 226 I CA -0.561 60.334 61.300 -0.676 0.000 1.019 226 I CB 2.239 39.548 38.000 -1.152 0.000 1.227 226 I HN 0.760 nan 8.210 nan 0.000 0.434 227 Q N 2.478 122.053 119.800 -0.375 0.000 2.570 227 Q HA 0.335 4.674 4.340 -0.001 0.000 0.222 227 Q C 0.066 175.957 176.000 -0.182 0.000 0.769 227 Q CA 0.328 55.981 55.803 -0.251 0.000 0.934 227 Q CB 0.493 29.078 28.738 -0.255 0.000 1.309 227 Q HN 0.650 nan 8.270 nan 0.000 0.565 228 R N 2.169 122.556 120.500 -0.187 0.000 2.609 228 R HA 0.283 4.623 4.340 -0.001 0.000 0.271 228 R C -0.636 175.375 176.300 -0.482 0.000 1.403 228 R CA 0.719 56.473 56.100 -0.578 0.000 1.138 228 R CB -0.101 29.509 30.300 -1.150 0.000 1.142 228 R HN 0.433 nan 8.270 nan 0.000 0.559 229 T N -2.382 112.135 114.554 -0.061 0.000 2.916 229 T HA 0.121 4.470 4.350 -0.001 0.000 0.292 229 T C -0.067 174.896 174.700 0.438 0.000 1.055 229 T CA -0.920 61.281 62.100 0.168 0.000 1.009 229 T CB 1.726 70.532 68.868 -0.103 0.000 1.118 229 T HN 0.438 nan 8.240 nan 0.000 0.497 230 H N 2.005 121.298 119.070 0.372 0.000 3.140 230 H HA -0.043 4.512 4.556 -0.001 0.000 0.316 230 H C 1.092 176.462 175.328 0.069 0.000 0.986 230 H CA 0.562 56.712 56.048 0.169 0.000 1.397 230 H CB 0.310 30.194 29.762 0.204 0.000 1.377 230 H HN 0.921 nan 8.280 nan 0.000 0.585 231 Y N 2.423 122.798 120.300 0.125 0.000 2.241 231 Y HA -0.197 4.353 4.550 -0.001 0.000 0.286 231 Y C 2.197 178.249 175.900 0.254 0.000 1.166 231 Y CA 1.011 59.227 58.100 0.194 0.000 1.203 231 Y CB -0.672 37.843 38.460 0.092 0.000 0.977 231 Y HN 0.297 nan 8.280 nan 0.000 0.529 232 S N 0.350 116.067 115.700 0.029 0.000 2.383 232 S HA -0.122 4.348 4.470 -0.001 0.000 0.227 232 S C 2.101 176.608 174.600 -0.154 0.000 1.026 232 S CA 1.188 59.296 58.200 -0.153 0.000 0.981 232 S CB -0.569 62.271 63.200 -0.600 0.000 0.818 232 S HN 0.372 nan 8.310 nan 0.000 0.472 233 V N 2.009 121.895 119.914 -0.047 0.000 2.307 233 V HA -0.180 3.939 4.120 -0.001 0.000 0.245 233 V C 2.267 178.393 176.094 0.054 0.000 1.045 233 V CA 1.590 63.898 62.300 0.014 0.000 1.024 233 V CB -0.530 31.416 31.823 0.204 0.000 0.651 233 V HN 0.410 nan 8.190 nan 0.000 0.449 234 K N 0.120 120.593 120.400 0.122 0.000 2.020 234 K HA -0.270 4.049 4.320 -0.001 0.000 0.212 234 K C 2.297 179.024 176.600 0.211 0.000 1.050 234 K CA 1.983 58.361 56.287 0.150 0.000 0.929 234 K CB -0.286 32.364 32.500 0.249 0.000 0.714 234 K HN 0.339 nan 8.250 nan 0.000 0.443 235 K N 1.177 121.707 120.400 0.216 0.000 2.009 235 K HA -0.262 4.058 4.320 -0.001 0.000 0.210 235 K C 2.175 178.866 176.600 0.153 0.000 1.049 235 K CA 1.935 58.355 56.287 0.221 0.000 0.929 235 K CB -0.028 32.528 32.500 0.092 0.000 0.714 235 K HN 0.001 nan 8.250 nan 0.000 0.440 236 E N 0.850 121.057 120.200 0.013 0.000 2.038 236 E HA -0.173 4.177 4.350 -0.001 0.000 0.195 236 E C 1.965 178.555 176.600 -0.016 0.000 1.000 236 E CA 1.607 57.975 56.400 -0.054 0.000 0.803 236 E CB -0.248 29.372 29.700 -0.132 0.000 0.750 236 E HN 0.357 nan 8.360 nan 0.000 0.448 237 L N -0.179 121.044 121.223 -0.000 0.000 2.141 237 L HA -0.106 4.234 4.340 -0.001 0.000 0.209 237 L C 2.517 179.404 176.870 0.027 0.000 1.094 237 L CA 0.904 55.737 54.840 -0.011 0.000 0.763 237 L CB -0.623 41.413 42.059 -0.038 0.000 0.908 237 L HN 0.221 nan 8.230 nan 0.000 0.437 238 A N -0.065 122.825 122.820 0.117 0.000 1.908 238 A HA -0.265 4.055 4.320 -0.001 0.000 0.218 238 A C 2.220 179.981 177.584 0.295 0.000 1.181 238 A CA 1.642 53.813 52.037 0.222 0.000 0.627 238 A CB -0.499 18.814 19.000 0.521 0.000 0.818 238 A HN 0.478 nan 8.150 nan 0.000 0.445 239 Q N -0.933 118.990 119.800 0.205 0.000 2.226 239 Q HA -0.144 4.195 4.340 -0.001 0.000 0.204 239 Q C 1.385 177.377 176.000 -0.014 0.000 0.975 239 Q CA 1.244 57.027 55.803 -0.035 0.000 0.866 239 Q CB -0.039 28.526 28.738 -0.287 0.000 0.915 239 Q HN 0.621 nan 8.270 nan 0.000 0.440 240 Q N -0.165 119.636 119.800 0.001 0.000 2.247 240 Q HA 0.143 4.482 4.340 -0.001 0.000 0.204 240 Q C -0.366 175.648 176.000 0.023 0.000 0.872 240 Q CA -0.020 55.781 55.803 -0.003 0.000 0.951 240 Q CB 0.654 29.380 28.738 -0.020 0.000 1.099 240 Q HN 0.277 nan 8.270 nan 0.000 0.501 241 R N 0.900 121.417 120.500 0.029 0.000 3.333 241 R HA -0.203 4.137 4.340 -0.001 0.000 0.256 241 R C -0.261 176.065 176.300 0.044 0.000 1.010 241 R CA 0.473 56.579 56.100 0.010 0.000 0.680 241 R CB -1.914 28.419 30.300 0.055 0.000 1.102 241 R HN 0.400 nan 8.270 nan 0.000 0.440 242 Q N 0.078 119.893 119.800 0.026 0.000 2.182 242 Q HA 0.206 4.545 4.340 -0.001 0.000 0.270 242 Q C 1.198 177.273 176.000 0.125 0.000 0.861 242 Q CA -0.256 55.600 55.803 0.089 0.000 1.098 242 Q CB 0.562 29.317 28.738 0.028 0.000 1.188 242 Q HN 0.421 nan 8.270 nan 0.000 0.464 243 L N 0.085 121.312 121.223 0.007 0.000 2.395 243 L HA 0.040 4.380 4.340 -0.001 0.000 0.218 243 L C 0.366 177.233 176.870 -0.005 0.000 1.130 243 L CA 0.988 55.802 54.840 -0.043 0.000 0.826 243 L CB 0.330 42.164 42.059 -0.376 0.000 0.941 243 L HN 0.218 nan 8.230 nan 0.000 0.451 244 E N 0.052 120.294 120.200 0.071 0.000 2.176 244 E HA 0.512 4.861 4.350 -0.001 0.000 0.267 244 E C -1.224 175.295 176.600 -0.135 0.000 0.893 244 E CA -0.515 55.738 56.400 -0.245 0.000 0.761 244 E CB 1.551 31.263 29.700 0.020 0.000 1.133 244 E HN -0.005 nan 8.360 nan 0.000 0.409 245 F N -0.230 119.456 119.950 -0.441 0.000 2.711 245 F HA 0.484 5.010 4.527 -0.001 0.000 0.313 245 F C -1.566 174.110 175.800 -0.206 0.000 1.141 245 F CA -1.379 56.504 58.000 -0.194 0.000 0.941 245 F CB 0.835 39.761 39.000 -0.122 0.000 1.349 245 F HN 0.152 nan 8.300 nan 0.000 0.464 246 L N 2.437 123.810 121.223 0.249 0.000 2.270 246 L HA 0.191 4.530 4.340 -0.001 0.000 0.286 246 L C -1.164 175.930 176.870 0.373 0.000 1.059 246 L CA -0.280 54.701 54.840 0.235 0.000 0.839 246 L CB 0.546 42.752 42.059 0.245 0.000 1.221 246 L HN 0.567 nan 8.230 nan 0.000 0.431 247 W N 6.662 128.070 121.300 0.179 0.000 2.437 247 W HA 0.302 4.962 4.660 -0.001 0.000 0.312 247 W C 0.334 176.879 176.519 0.044 0.000 1.242 247 W CA -1.141 56.324 57.345 0.201 0.000 1.340 247 W CB 0.406 30.022 29.460 0.261 0.000 1.327 247 W HN 0.506 nan 8.180 nan 0.000 0.476 248 R N 3.807 124.475 120.500 0.279 0.000 2.828 248 R HA 0.537 4.877 4.340 -0.001 0.000 0.264 248 R C -0.161 176.046 176.300 -0.155 0.000 1.022 248 R CA -0.934 55.163 56.100 -0.006 0.000 1.021 248 R CB 1.120 31.404 30.300 -0.026 0.000 1.163 248 R HN 0.227 nan 8.270 nan 0.000 0.494 249 Q N 1.473 121.021 119.800 -0.420 0.000 2.392 249 Q HA 0.058 4.398 4.340 -0.001 0.000 0.262 249 Q C 1.472 177.073 176.000 -0.665 0.000 1.003 249 Q CA 0.116 55.459 55.803 -0.766 0.000 0.888 249 Q CB 0.853 28.657 28.738 -1.556 0.000 1.260 249 Q HN 0.847 nan 8.270 nan 0.000 0.435 250 I N -1.850 118.443 120.570 -0.463 0.000 2.423 250 I HA -0.183 3.987 4.170 -0.001 0.000 0.254 250 I C 1.357 177.417 176.117 -0.095 0.000 1.151 250 I CA 1.434 62.623 61.300 -0.185 0.000 1.421 250 I CB -0.382 37.604 38.000 -0.023 0.000 1.079 250 I HN 0.686 nan 8.210 nan 0.000 0.431 251 W N 1.295 122.652 121.300 0.095 0.000 3.211 251 W HA 0.337 4.996 4.660 -0.001 0.000 0.292 251 W C 0.403 176.995 176.519 0.123 0.000 1.268 251 W CA -0.526 56.935 57.345 0.193 0.000 1.702 251 W CB -0.737 28.926 29.460 0.339 0.000 1.092 251 W HN -0.076 nan 8.180 nan 0.000 0.643 252 D N 2.343 122.489 120.400 -0.423 0.000 2.367 252 D HA -0.086 4.553 4.640 -0.001 0.000 0.255 252 D C 1.169 177.447 176.300 -0.036 0.000 1.300 252 D CA 0.376 54.259 54.000 -0.195 0.000 0.959 252 D CB -0.154 40.441 40.800 -0.343 0.000 1.064 252 D HN 0.236 nan 8.370 nan 0.000 0.509 253 N N 3.714 122.453 118.700 0.066 0.000 2.216 253 N HA -0.138 4.601 4.740 -0.001 0.000 0.183 253 N C 1.384 176.916 175.510 0.038 0.000 1.017 253 N CA 0.599 53.680 53.050 0.051 0.000 0.861 253 N CB 0.216 38.755 38.487 0.085 0.000 0.986 253 N HN 0.329 nan 8.380 nan 0.000 0.428 254 K N -0.371 120.058 120.400 0.047 0.000 2.116 254 K HA -0.017 4.302 4.320 -0.001 0.000 0.203 254 K C 0.781 177.398 176.600 0.029 0.000 1.052 254 K CA 1.150 57.461 56.287 0.040 0.000 0.952 254 K CB 0.024 32.552 32.500 0.047 0.000 0.729 254 K HN 0.302 nan 8.250 nan 0.000 0.446 255 G N 0.960 109.770 108.800 0.016 0.000 2.148 255 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.203 255 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.203 255 G C 0.117 175.025 174.900 0.013 0.000 0.993 255 G CA 0.336 45.443 45.100 0.012 0.000 0.661 255 G HN 0.370 nan 8.290 nan 0.000 0.518 256 D N 0.638 121.046 120.400 0.014 0.000 2.348 256 D HA -0.013 4.627 4.640 -0.001 0.000 0.216 256 D C 2.489 178.784 176.300 -0.009 0.000 0.970 256 D CA 1.616 55.622 54.000 0.010 0.000 0.889 256 D CB -0.112 40.699 40.800 0.019 0.000 0.912 256 D HN 0.663 nan 8.370 nan 0.000 0.524 257 T N -2.095 112.445 114.554 -0.024 0.000 3.129 257 T HA 0.327 4.676 4.350 -0.001 0.000 0.251 257 T C 0.991 175.660 174.700 -0.053 0.000 1.117 257 T CA -0.208 61.860 62.100 -0.054 0.000 1.034 257 T CB 0.093 68.916 68.868 -0.076 0.000 0.968 257 T HN 0.051 nan 8.240 nan 0.000 0.526 258 A N 1.488 124.301 122.820 -0.012 0.000 2.540 258 A HA 0.534 4.854 4.320 -0.001 0.000 0.239 258 A C -0.257 177.350 177.584 0.038 0.000 1.061 258 A CA -0.260 51.799 52.037 0.037 0.000 0.758 258 A CB -0.159 18.886 19.000 0.074 0.000 0.991 258 A HN 0.567 nan 8.150 nan 0.000 0.502 259 L N 2.897 124.162 121.223 0.070 0.000 2.438 259 L HA 0.555 4.895 4.340 -0.001 0.000 0.270 259 L C -0.690 176.228 176.870 0.079 0.000 0.972 259 L CA -0.565 54.307 54.840 0.053 0.000 0.831 259 L CB 1.442 43.500 42.059 -0.002 0.000 1.273 259 L HN 0.664 nan 8.230 nan 0.000 0.405 260 F N 3.877 123.784 119.950 -0.072 0.000 2.608 260 F HA 0.402 4.928 4.527 -0.001 0.000 0.380 260 F C 0.040 175.713 175.800 -0.211 0.000 1.083 260 F CA 0.830 58.752 58.000 -0.129 0.000 1.266 260 F CB 0.454 39.400 39.000 -0.090 0.000 1.076 260 F HN 0.586 nan 8.300 nan 0.000 0.574 261 T N 5.399 119.333 114.554 -1.034 0.000 2.886 261 T HA 0.211 4.560 4.350 -0.001 0.000 0.292 261 T C -1.630 172.427 174.700 -1.072 0.000 1.012 261 T CA -0.488 61.085 62.100 -0.878 0.000 0.982 261 T CB 0.945 69.290 68.868 -0.872 0.000 1.018 261 T HN 0.622 nan 8.240 nan 0.000 0.451 262 H N 2.771 121.524 119.070 -0.528 0.000 2.551 262 H HA 0.623 5.178 4.556 -0.001 0.000 0.321 262 H C -0.428 174.714 175.328 -0.310 0.000 1.028 262 H CA -0.754 55.112 56.048 -0.303 0.000 1.215 262 H CB 0.755 30.558 29.762 0.069 0.000 1.414 262 H HN 0.487 nan 8.280 nan 0.000 0.480 263 M N 6.680 125.972 119.600 -0.513 0.000 2.157 263 M HA 0.291 4.770 4.480 -0.001 0.000 0.354 263 M C -0.891 175.181 176.300 -0.379 0.000 1.170 263 M CA -0.607 54.457 55.300 -0.393 0.000 1.060 263 M CB 0.670 33.084 32.600 -0.311 0.000 1.615 263 M HN 0.706 nan 8.290 nan 0.000 0.460 264 M N 7.104 126.565 119.600 -0.231 0.000 2.248 264 M HA 0.167 4.646 4.480 -0.001 0.000 0.337 264 M C -1.472 174.688 176.300 -0.233 0.000 1.121 264 M CA -1.089 54.111 55.300 -0.167 0.000 1.155 264 M CB 0.423 32.938 32.600 -0.142 0.000 1.514 264 M HN 0.482 nan 8.290 nan 0.000 0.452 265 P HA 0.050 nan 4.420 nan 0.000 0.239 265 P C -0.289 176.788 177.300 -0.373 0.000 1.188 265 P CA 1.014 63.790 63.100 -0.539 0.000 0.794 265 P CB 0.257 31.369 31.700 -0.979 0.000 0.937 266 F N -2.288 117.662 119.950 -0.001 0.000 2.535 266 F HA 0.280 4.806 4.527 -0.001 0.000 0.367 266 F C 2.250 178.137 175.800 0.144 0.000 1.096 266 F CA -1.312 56.731 58.000 0.072 0.000 1.088 266 F CB 0.003 38.989 39.000 -0.023 0.000 1.387 266 F HN -0.300 nan 8.300 nan 0.000 0.494 267 Y N 0.479 120.937 120.300 0.263 0.000 2.274 267 Y HA -0.029 4.521 4.550 -0.001 0.000 0.290 267 Y C 0.971 176.791 175.900 -0.132 0.000 1.145 267 Y CA 1.349 59.460 58.100 0.018 0.000 1.203 267 Y CB -0.057 38.321 38.460 -0.137 0.000 0.984 267 Y HN 0.350 nan 8.280 nan 0.000 0.533 268 S N -1.975 113.576 115.700 -0.250 0.000 2.651 268 S HA 0.284 4.754 4.470 -0.001 0.000 0.279 268 S C -0.431 174.085 174.600 -0.140 0.000 1.148 268 S CA -0.340 57.599 58.200 -0.435 0.000 0.837 268 S CB 0.397 63.272 63.200 -0.541 0.000 1.138 268 S HN 0.284 nan 8.310 nan 0.000 0.478 269 Y N 0.639 120.910 120.300 -0.048 0.000 2.457 269 Y HA 0.341 4.890 4.550 -0.001 0.000 0.263 269 Y C 0.391 176.389 175.900 0.163 0.000 1.164 269 Y CA -0.734 57.370 58.100 0.007 0.000 1.274 269 Y CB -1.043 37.336 38.460 -0.136 0.000 1.097 269 Y HN 0.537 nan 8.280 nan 0.000 0.523 270 D N 0.723 121.148 120.400 0.041 0.000 2.371 270 D HA -0.030 4.609 4.640 -0.001 0.000 0.242 270 D C 1.247 177.691 176.300 0.240 0.000 1.218 270 D CA -0.375 53.742 54.000 0.196 0.000 0.945 270 D CB 0.843 41.718 40.800 0.126 0.000 1.137 270 D HN 0.249 nan 8.370 nan 0.000 0.464 271 I N -0.212 120.475 120.570 0.194 0.000 2.226 271 I HA -0.161 4.008 4.170 -0.001 0.000 0.245 271 I C -0.747 175.416 176.117 0.077 0.000 1.100 271 I CA 0.916 62.312 61.300 0.160 0.000 1.374 271 I CB -1.190 36.893 38.000 0.137 0.000 1.057 271 I HN 0.343 nan 8.210 nan 0.000 0.413 272 P HA -0.161 nan 4.420 nan 0.000 0.219 272 P C 0.640 177.626 177.300 -0.523 0.000 1.146 272 P CA 1.614 64.538 63.100 -0.293 0.000 0.808 272 P CB -0.095 31.436 31.700 -0.283 0.000 0.779 273 H N -3.013 116.052 119.070 -0.009 0.000 2.486 273 H HA 0.213 4.769 4.556 -0.001 0.000 0.284 273 H C 0.924 176.348 175.328 0.159 0.000 1.103 273 H CA 0.622 56.673 56.048 0.006 0.000 1.089 273 H CB -0.202 29.633 29.762 0.121 0.000 1.603 273 H HN 0.114 nan 8.280 nan 0.000 0.557 274 T N -4.272 110.399 114.554 0.196 0.000 2.986 274 T HA -0.020 4.329 4.350 -0.001 0.000 0.264 274 T C 1.791 176.616 174.700 0.208 0.000 0.964 274 T CA 0.354 62.601 62.100 0.244 0.000 0.895 274 T CB -0.681 68.328 68.868 0.235 0.000 1.163 274 T HN 0.505 nan 8.240 nan 0.000 0.517 275 c N 1.420 120.111 118.600 0.151 0.000 2.533 275 c HA 0.729 5.298 4.570 -0.001 0.000 0.272 275 c C 1.330 175.535 174.090 0.191 0.000 1.371 275 c CA 0.436 56.894 56.329 0.215 0.000 1.758 275 c CB -1.018 41.570 42.510 0.130 0.000 1.972 275 c HN 0.861 nan 8.230 nan 0.000 0.522 276 G N -0.197 108.629 108.800 0.044 0.000 2.321 276 G HA2 0.394 4.354 3.960 -0.001 0.000 0.296 276 G HA3 0.394 4.354 3.960 -0.001 0.000 0.296 276 G C -2.629 171.920 174.900 -0.585 0.000 1.287 276 G CA 0.256 45.331 45.100 -0.041 0.000 0.846 276 G HN -0.107 nan 8.290 nan 0.000 0.508 277 P HA 0.056 nan 4.420 nan 0.000 0.223 277 P C -0.085 176.812 177.300 -0.672 0.000 1.151 277 P CA 1.157 63.640 63.100 -1.027 0.000 0.787 277 P CB 0.329 31.720 31.700 -0.516 0.000 0.788 278 D N 0.732 120.843 120.400 -0.482 0.000 2.454 278 D HA 0.137 4.776 4.640 -0.001 0.000 0.225 278 D C -1.399 174.554 176.300 -0.579 0.000 1.081 278 D CA -2.670 51.078 54.000 -0.419 0.000 0.864 278 D CB 1.185 41.825 40.800 -0.267 0.000 1.040 278 D HN 0.012 nan 8.370 nan 0.000 0.517 279 P HA -0.172 nan 4.420 nan 0.000 0.220 279 P C 1.208 177.659 177.300 -1.414 0.000 1.148 279 P CA 0.761 63.077 63.100 -1.307 0.000 0.803 279 P CB 0.512 31.139 31.700 -1.788 0.000 0.782 280 K N 0.192 119.923 120.400 -1.115 0.000 2.148 280 K HA -0.052 4.267 4.320 -0.001 0.000 0.204 280 K C 1.801 178.220 176.600 -0.300 0.000 1.050 280 K CA 0.973 56.914 56.287 -0.577 0.000 0.942 280 K CB -0.168 32.186 32.500 -0.243 0.000 0.724 280 K HN -0.056 nan 8.250 nan 0.000 0.446 281 V N 0.272 120.008 119.914 -0.296 0.000 2.374 281 V HA -0.213 3.906 4.120 -0.001 0.000 0.241 281 V C 2.369 178.435 176.094 -0.046 0.000 1.034 281 V CA 1.241 63.466 62.300 -0.126 0.000 1.037 281 V CB -0.241 31.520 31.823 -0.102 0.000 0.682 281 V HN 0.467 nan 8.190 nan 0.000 0.463 282 c N -0.576 117.920 118.600 -0.173 0.000 2.413 282 c HA -0.223 4.346 4.570 -0.001 0.000 0.277 282 c C 2.995 177.055 174.090 -0.049 0.000 1.265 282 c CA 0.939 57.222 56.329 -0.076 0.000 1.752 282 c CB -1.480 40.904 42.510 -0.209 0.000 1.998 282 c HN 0.768 nan 8.230 nan 0.000 0.489 283 c N 0.783 119.269 118.600 -0.189 0.000 2.411 283 c HA -0.162 4.408 4.570 -0.001 0.000 0.279 283 c C 2.621 176.621 174.090 -0.151 0.000 1.288 283 c CA 1.292 57.566 56.329 -0.092 0.000 1.764 283 c CB -1.464 41.082 42.510 0.060 0.000 1.974 283 c HN 0.643 nan 8.230 nan 0.000 0.498 284 Q N -1.397 118.269 119.800 -0.223 0.000 2.488 284 Q HA -0.026 4.314 4.340 -0.001 0.000 0.211 284 Q C 0.635 176.053 176.000 -0.970 0.000 0.967 284 Q CA 0.977 56.477 55.803 -0.505 0.000 0.926 284 Q CB -0.040 28.378 28.738 -0.532 0.000 0.992 284 Q HN 0.753 nan 8.270 nan 0.000 0.506 285 F N -0.189 119.472 119.950 -0.482 0.000 2.708 285 F HA 0.164 4.691 4.527 -0.001 0.000 0.300 285 F C 0.222 175.720 175.800 -0.503 0.000 1.118 285 F CA -0.563 57.025 58.000 -0.687 0.000 1.307 285 F CB 0.799 39.634 39.000 -0.274 0.000 0.986 285 F HN -0.143 nan 8.300 nan 0.000 0.522 286 D N 0.140 120.325 120.400 -0.358 0.000 2.485 286 D HA 0.129 4.769 4.640 -0.001 0.000 0.229 286 D C 0.528 176.663 176.300 -0.274 0.000 1.101 286 D CA -0.410 53.510 54.000 -0.134 0.000 0.906 286 D CB 0.111 40.879 40.800 -0.053 0.000 1.019 286 D HN 0.106 nan 8.370 nan 0.000 0.516 287 F N 1.781 121.738 119.950 0.011 0.000 2.722 287 F HA 0.045 4.571 4.527 -0.001 0.000 0.298 287 F C 2.332 178.080 175.800 -0.086 0.000 1.175 287 F CA 0.379 58.356 58.000 -0.038 0.000 1.462 287 F CB 0.072 39.068 39.000 -0.008 0.000 1.111 287 F HN 0.256 nan 8.300 nan 0.000 0.592 288 K N 0.768 121.111 120.400 -0.095 0.000 2.444 288 K HA 0.078 4.397 4.320 -0.001 0.000 0.193 288 K C 0.963 177.511 176.600 -0.086 0.000 1.024 288 K CA 0.163 56.251 56.287 -0.332 0.000 1.077 288 K CB 0.166 32.326 32.500 -0.567 0.000 0.833 288 K HN 0.173 nan 8.250 nan 0.000 0.517 289 R N 0.314 120.798 120.500 -0.026 0.000 2.893 289 R HA 0.215 4.555 4.340 -0.001 0.000 0.317 289 R C 0.763 177.089 176.300 0.044 0.000 1.239 289 R CA -0.176 55.935 56.100 0.018 0.000 1.128 289 R CB 0.220 30.512 30.300 -0.014 0.000 1.377 289 R HN 0.196 nan 8.270 nan 0.000 0.583 290 M N -1.029 118.635 119.600 0.107 0.000 2.502 290 M HA 0.158 4.637 4.480 -0.001 0.000 0.243 290 M C 1.155 177.496 176.300 0.069 0.000 1.130 290 M CA 0.772 56.118 55.300 0.078 0.000 1.055 290 M CB 0.918 33.576 32.600 0.097 0.000 1.457 290 M HN 0.550 nan 8.290 nan 0.000 0.488 291 G N -0.145 108.714 108.800 0.098 0.000 3.638 291 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.196 291 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.196 291 G C 0.976 175.887 174.900 0.019 0.000 1.315 291 G CA 0.242 45.372 45.100 0.049 0.000 0.944 291 G HN 0.385 nan 8.290 nan 0.000 0.434 292 S N 0.403 116.077 115.700 -0.042 0.000 2.442 292 S HA 0.138 4.607 4.470 -0.001 0.000 0.236 292 S C 1.812 176.245 174.600 -0.278 0.000 1.007 292 S CA 1.673 59.754 58.200 -0.198 0.000 0.965 292 S CB -0.461 62.538 63.200 -0.335 0.000 0.773 292 S HN 0.395 nan 8.310 nan 0.000 0.504 293 F N 1.816 121.760 119.950 -0.010 0.000 2.765 293 F HA 0.409 4.936 4.527 -0.001 0.000 0.302 293 F C 1.904 177.699 175.800 -0.010 0.000 1.111 293 F CA 0.078 58.070 58.000 -0.013 0.000 1.359 293 F CB -0.143 38.846 39.000 -0.018 0.000 1.097 293 F HN 0.375 nan 8.300 nan 0.000 0.577 294 G N 1.239 110.112 108.800 0.120 0.000 2.147 294 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.244 294 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.244 294 G C -0.166 174.782 174.900 0.080 0.000 1.005 294 G CA 0.025 45.170 45.100 0.075 0.000 0.713 294 G HN 0.307 nan 8.290 nan 0.000 0.515 295 L N 0.014 121.298 121.223 0.101 0.000 2.323 295 L HA 0.879 5.218 4.340 -0.001 0.000 0.265 295 L C 0.484 177.384 176.870 0.051 0.000 1.012 295 L CA -0.376 54.505 54.840 0.069 0.000 0.820 295 L CB 2.392 44.490 42.059 0.064 0.000 1.334 295 L HN 0.488 nan 8.230 nan 0.000 0.427 296 S N -0.854 114.864 115.700 0.030 0.000 2.656 296 S HA 0.505 4.974 4.470 -0.001 0.000 0.273 296 S C -1.315 173.297 174.600 0.019 0.000 1.168 296 S CA -0.835 57.375 58.200 0.017 0.000 0.817 296 S CB 1.489 64.690 63.200 0.002 0.000 1.146 296 S HN 0.512 nan 8.310 nan 0.000 0.475 297 c N 3.195 121.811 118.600 0.028 0.000 2.265 297 c HA 0.537 5.106 4.570 -0.001 0.000 0.332 297 c C -0.830 173.247 174.090 -0.022 0.000 1.248 297 c CA -1.156 55.226 56.329 0.089 0.000 1.727 297 c CB 0.761 43.362 42.510 0.152 0.000 2.348 297 c HN 0.766 nan 8.230 nan 0.000 0.519 298 P HA -0.100 nan 4.420 nan 0.000 0.225 298 P C 1.049 178.049 177.300 -0.501 0.000 1.148 298 P CA 1.285 64.099 63.100 -0.476 0.000 0.779 298 P CB 0.081 31.325 31.700 -0.759 0.000 0.780 299 W N 0.707 121.985 121.300 -0.037 0.000 3.292 299 W HA 0.163 4.822 4.660 -0.001 0.000 0.263 299 W C 0.747 177.239 176.519 -0.044 0.000 1.318 299 W CA 0.113 57.432 57.345 -0.044 0.000 1.663 299 W CB -0.558 28.866 29.460 -0.059 0.000 1.114 299 W HN 0.153 nan 8.180 nan 0.000 0.706 300 K N -1.152 119.290 120.400 0.069 0.000 3.472 300 K HA -0.195 4.124 4.320 -0.001 0.000 0.315 300 K C -0.258 176.363 176.600 0.035 0.000 1.320 300 K CA 0.636 56.942 56.287 0.032 0.000 0.962 300 K CB -1.892 30.616 32.500 0.013 0.000 1.251 300 K HN -0.101 nan 8.250 nan 0.000 0.443 301 V N 1.876 121.824 119.914 0.058 0.000 2.378 301 V HA 0.322 4.441 4.120 -0.001 0.000 0.288 301 V C -1.808 174.276 176.094 -0.017 0.000 1.016 301 V CA -1.507 60.798 62.300 0.008 0.000 0.840 301 V CB 1.500 33.322 31.823 -0.003 0.000 0.994 301 V HN -0.023 nan 8.190 nan 0.000 0.431 302 P HA 0.453 nan 4.420 nan 0.000 0.278 302 P C -2.842 174.367 177.300 -0.152 0.000 1.258 302 P CA -2.063 60.994 63.100 -0.071 0.000 0.811 302 P CB 0.940 32.613 31.700 -0.045 0.000 1.063 303 P HA 0.327 nan 4.420 nan 0.000 0.276 303 P C -0.435 176.753 177.300 -0.187 0.000 1.244 303 P CA -0.153 62.734 63.100 -0.354 0.000 0.801 303 P CB 1.072 32.468 31.700 -0.506 0.000 1.006 304 R N -0.083 120.314 120.500 -0.171 0.000 2.621 304 R HA 0.384 4.723 4.340 -0.001 0.000 0.292 304 R C -0.251 176.100 176.300 0.085 0.000 0.969 304 R CA -0.606 55.471 56.100 -0.040 0.000 0.887 304 R CB 1.551 31.804 30.300 -0.078 0.000 1.180 304 R HN 0.386 nan 8.270 nan 0.000 0.450 305 T N 4.073 118.673 114.554 0.076 0.000 2.933 305 T HA 0.039 4.389 4.350 -0.001 0.000 0.306 305 T C 0.777 175.466 174.700 -0.018 0.000 1.045 305 T CA 0.159 62.282 62.100 0.038 0.000 1.143 305 T CB 0.153 69.023 68.868 0.003 0.000 1.003 305 T HN 0.201 nan 8.240 nan 0.000 0.540 306 I N 3.732 124.243 120.570 -0.097 0.000 2.529 306 I HA 0.296 4.466 4.170 -0.001 0.000 0.284 306 I C 0.983 177.047 176.117 -0.088 0.000 1.082 306 I CA 0.025 61.264 61.300 -0.100 0.000 1.406 306 I CB 0.505 38.404 38.000 -0.168 0.000 1.405 306 I HN 0.796 nan 8.210 nan 0.000 0.548 307 S N 3.570 119.229 115.700 -0.069 0.000 2.720 307 S HA 0.432 4.901 4.470 -0.001 0.000 0.287 307 S C 0.245 174.811 174.600 -0.057 0.000 1.168 307 S CA -0.743 57.425 58.200 -0.054 0.000 0.832 307 S CB 2.050 65.227 63.200 -0.039 0.000 1.166 307 S HN 0.499 nan 8.310 nan 0.000 0.493 308 D N 0.496 120.873 120.400 -0.038 0.000 2.219 308 D HA -0.013 4.626 4.640 -0.001 0.000 0.205 308 D C 1.484 177.759 176.300 -0.041 0.000 0.970 308 D CA 1.283 55.263 54.000 -0.033 0.000 0.851 308 D CB -0.205 40.590 40.800 -0.009 0.000 0.943 308 D HN 0.495 nan 8.370 nan 0.000 0.488 309 Q N 0.133 119.912 119.800 -0.035 0.000 2.389 309 Q HA -0.005 4.335 4.340 -0.001 0.000 0.204 309 Q C 1.123 177.098 176.000 -0.042 0.000 0.944 309 Q CA 0.701 56.485 55.803 -0.031 0.000 0.908 309 Q CB 0.026 28.751 28.738 -0.022 0.000 1.002 309 Q HN 0.353 nan 8.270 nan 0.000 0.493 310 N N -2.053 116.613 118.700 -0.057 0.000 2.166 310 N HA -0.013 4.726 4.740 -0.001 0.000 0.213 310 N C 1.029 176.488 175.510 -0.086 0.000 1.222 310 N CA 0.139 53.155 53.050 -0.057 0.000 0.900 310 N CB -0.304 38.156 38.487 -0.045 0.000 1.055 310 N HN 0.030 nan 8.380 nan 0.000 0.515 311 V N 0.578 120.405 119.914 -0.144 0.000 2.469 311 V HA -0.107 4.013 4.120 -0.001 0.000 0.251 311 V C 2.210 178.076 176.094 -0.379 0.000 1.064 311 V CA 2.156 64.312 62.300 -0.240 0.000 1.066 311 V CB -0.858 30.790 31.823 -0.292 0.000 0.667 311 V HN 0.447 nan 8.190 nan 0.000 0.461 312 A N -0.289 122.303 122.820 -0.381 0.000 1.898 312 A HA 0.017 4.337 4.320 -0.001 0.000 0.216 312 A C 2.407 180.039 177.584 0.080 0.000 1.181 312 A CA 1.999 53.945 52.037 -0.152 0.000 0.620 312 A CB -0.936 18.085 19.000 0.036 0.000 0.819 312 A HN 0.802 nan 8.150 nan 0.000 0.442 313 A N -0.641 122.195 122.820 0.027 0.000 1.929 313 A HA -0.076 4.243 4.320 -0.001 0.000 0.216 313 A C 2.230 179.856 177.584 0.070 0.000 1.176 313 A CA 1.169 53.241 52.037 0.058 0.000 0.628 313 A CB -0.375 18.640 19.000 0.025 0.000 0.816 313 A HN 0.388 nan 8.150 nan 0.000 0.444 314 R N 0.087 120.618 120.500 0.051 0.000 2.075 314 R HA -0.037 4.303 4.340 -0.001 0.000 0.232 314 R C 2.379 178.737 176.300 0.097 0.000 1.126 314 R CA 1.529 57.717 56.100 0.146 0.000 0.963 314 R CB -0.987 29.387 30.300 0.124 0.000 0.858 314 R HN 0.513 nan 8.270 nan 0.000 0.435 315 S N 1.382 117.084 115.700 0.003 0.000 2.382 315 S HA -0.119 4.350 4.470 -0.001 0.000 0.228 315 S C 1.320 175.822 174.600 -0.164 0.000 1.027 315 S CA 1.313 59.425 58.200 -0.148 0.000 0.991 315 S CB -0.197 63.045 63.200 0.069 0.000 0.823 315 S HN 0.262 nan 8.310 nan 0.000 0.469 316 D N 1.592 122.081 120.400 0.148 0.000 2.104 316 D HA -0.075 4.564 4.640 -0.001 0.000 0.194 316 D C 1.918 178.242 176.300 0.041 0.000 0.994 316 D CA 0.865 55.009 54.000 0.240 0.000 0.830 316 D CB -0.434 40.499 40.800 0.222 0.000 0.959 316 D HN 0.285 nan 8.370 nan 0.000 0.452 317 L N -0.031 121.187 121.223 -0.009 0.000 2.017 317 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 317 L C 2.430 179.126 176.870 -0.290 0.000 1.073 317 L CA 0.563 55.368 54.840 -0.059 0.000 0.745 317 L CB -0.248 41.849 42.059 0.064 0.000 0.894 317 L HN 0.089 nan 8.230 nan 0.000 0.432 318 L N -0.682 120.190 121.223 -0.586 0.000 2.027 318 L HA -0.152 4.188 4.340 -0.001 0.000 0.206 318 L C 2.352 178.557 176.870 -1.108 0.000 1.074 318 L CA 1.603 55.766 54.840 -1.128 0.000 0.745 318 L CB -0.411 40.689 42.059 -1.598 0.000 0.898 318 L HN -0.082 nan 8.230 nan 0.000 0.433 319 V N 0.012 119.396 119.914 -0.884 0.000 2.469 319 V HA -0.311 3.809 4.120 -0.001 0.000 0.251 319 V C 2.286 178.228 176.094 -0.254 0.000 1.064 319 V CA 1.945 63.878 62.300 -0.611 0.000 1.066 319 V CB -0.803 30.637 31.823 -0.638 0.000 0.667 319 V HN 0.609 nan 8.190 nan 0.000 0.461 320 D N -0.968 119.340 120.400 -0.154 0.000 2.144 320 D HA -0.179 4.460 4.640 -0.001 0.000 0.200 320 D C 2.232 178.516 176.300 -0.027 0.000 0.978 320 D CA 0.973 54.991 54.000 0.030 0.000 0.833 320 D CB 0.002 40.875 40.800 0.121 0.000 0.961 320 D HN 0.270 nan 8.370 nan 0.000 0.470 321 Q N -0.438 119.277 119.800 -0.142 0.000 2.050 321 Q HA -0.133 4.206 4.340 -0.001 0.000 0.202 321 Q C 2.090 178.107 176.000 0.028 0.000 0.980 321 Q CA 0.976 56.717 55.803 -0.102 0.000 0.840 321 Q CB -0.601 28.014 28.738 -0.206 0.000 0.898 321 Q HN 0.536 nan 8.270 nan 0.000 0.424 322 W N 1.464 122.661 121.300 -0.172 0.000 2.335 322 W HA -0.117 4.542 4.660 -0.001 0.000 0.311 322 W C 2.124 178.528 176.519 -0.191 0.000 1.213 322 W CA 0.830 58.071 57.345 -0.173 0.000 1.274 322 W CB -0.718 28.611 29.460 -0.217 0.000 1.148 322 W HN 0.216 nan 8.180 nan 0.000 0.498 323 K N 0.096 120.462 120.400 -0.057 0.000 2.148 323 K HA -0.141 4.178 4.320 -0.001 0.000 0.204 323 K C 1.969 178.418 176.600 -0.251 0.000 1.050 323 K CA 1.245 57.347 56.287 -0.309 0.000 0.942 323 K CB -0.198 31.822 32.500 -0.800 0.000 0.724 323 K HN 0.073 nan 8.250 nan 0.000 0.446 324 K N 0.907 121.243 120.400 -0.106 0.000 2.025 324 K HA -0.145 4.174 4.320 -0.001 0.000 0.207 324 K C 2.102 178.767 176.600 0.108 0.000 1.049 324 K CA 1.178 57.526 56.287 0.101 0.000 0.933 324 K CB -0.017 32.563 32.500 0.134 0.000 0.714 324 K HN 0.010 nan 8.250 nan 0.000 0.438 325 K N 0.864 121.330 120.400 0.111 0.000 2.103 325 K HA -0.146 4.174 4.320 -0.001 0.000 0.207 325 K C 2.036 178.749 176.600 0.188 0.000 1.048 325 K CA 1.307 57.685 56.287 0.152 0.000 0.930 325 K CB -0.108 32.498 32.500 0.177 0.000 0.716 325 K HN 0.145 nan 8.250 nan 0.000 0.444 326 A N 1.252 124.164 122.820 0.154 0.000 2.019 326 A HA -0.146 4.174 4.320 -0.001 0.000 0.219 326 A C 1.710 179.458 177.584 0.274 0.000 1.164 326 A CA 1.358 53.524 52.037 0.214 0.000 0.644 326 A CB -0.321 18.766 19.000 0.145 0.000 0.805 326 A HN 0.323 nan 8.150 nan 0.000 0.449 327 E N 0.004 120.343 120.200 0.231 0.000 2.333 327 E HA -0.088 4.261 4.350 -0.001 0.000 0.198 327 E C 1.596 178.322 176.600 0.210 0.000 1.007 327 E CA 0.637 57.184 56.400 0.244 0.000 0.845 327 E CB -0.229 29.640 29.700 0.282 0.000 0.766 327 E HN 0.728 nan 8.360 nan 0.000 0.507 328 L N -0.512 120.797 121.223 0.143 0.000 2.554 328 L HA 0.036 4.376 4.340 -0.001 0.000 0.226 328 L C 0.301 176.952 176.870 -0.364 0.000 1.137 328 L CA 0.278 55.072 54.840 -0.076 0.000 0.863 328 L CB -0.122 41.789 42.059 -0.247 0.000 0.985 328 L HN -0.003 nan 8.230 nan 0.000 0.451 329 Y N -1.527 118.855 120.300 0.137 0.000 2.630 329 Y HA 0.380 4.929 4.550 -0.001 0.000 0.337 329 Y C 1.199 177.212 175.900 0.189 0.000 1.051 329 Y CA -0.982 57.220 58.100 0.170 0.000 1.121 329 Y CB 1.110 39.683 38.460 0.188 0.000 1.299 329 Y HN -0.281 nan 8.280 nan 0.000 0.498 330 R N -0.574 120.162 120.500 0.393 0.000 2.254 330 R HA 0.086 4.426 4.340 -0.001 0.000 0.195 330 R C 0.331 176.756 176.300 0.208 0.000 0.957 330 R CA 0.793 57.034 56.100 0.236 0.000 1.024 330 R CB 0.207 30.580 30.300 0.122 0.000 0.952 330 R HN 0.757 nan 8.270 nan 0.000 0.484 331 T N -0.893 113.829 114.554 0.280 0.000 2.922 331 T HA 0.109 4.458 4.350 -0.001 0.000 0.281 331 T C 0.661 175.499 174.700 0.231 0.000 1.005 331 T CA -0.935 61.294 62.100 0.216 0.000 0.982 331 T CB 1.195 70.174 68.868 0.185 0.000 1.158 331 T HN 0.074 nan 8.240 nan 0.000 0.566 332 N N -0.084 118.726 118.700 0.184 0.000 2.295 332 N HA 0.119 4.859 4.740 -0.001 0.000 0.221 332 N C -0.627 174.885 175.510 0.003 0.000 1.129 332 N CA -0.328 52.804 53.050 0.137 0.000 0.836 332 N CB -0.057 38.418 38.487 -0.019 0.000 1.040 332 N HN 0.365 nan 8.380 nan 0.000 0.494 333 V N 1.564 121.504 119.914 0.042 0.000 2.384 333 V HA 0.367 4.486 4.120 -0.001 0.000 0.287 333 V C -0.552 175.628 176.094 0.144 0.000 1.020 333 V CA -0.955 61.364 62.300 0.031 0.000 0.850 333 V CB 1.462 33.279 31.823 -0.010 0.000 0.987 333 V HN 0.163 nan 8.190 nan 0.000 0.436 334 L N 6.059 127.295 121.223 0.023 0.000 2.322 334 L HA 0.665 5.004 4.340 -0.001 0.000 0.281 334 L C -0.748 175.988 176.870 -0.223 0.000 1.014 334 L CA -0.407 54.370 54.840 -0.104 0.000 0.815 334 L CB 1.582 43.477 42.059 -0.273 0.000 1.247 334 L HN 0.632 nan 8.230 nan 0.000 0.421 335 L N 6.475 127.370 121.223 -0.547 0.000 2.264 335 L HA 0.565 4.904 4.340 -0.001 0.000 0.289 335 L C -1.053 175.531 176.870 -0.476 0.000 1.044 335 L CA 0.138 54.495 54.840 -0.804 0.000 0.807 335 L CB 0.790 41.881 42.059 -1.614 0.000 1.192 335 L HN 0.440 nan 8.230 nan 0.000 0.425 336 I N 7.348 127.721 120.570 -0.327 0.000 2.537 336 I HA 0.349 4.518 4.170 -0.001 0.000 0.276 336 I C -2.308 173.793 176.117 -0.026 0.000 1.063 336 I CA -2.025 59.173 61.300 -0.170 0.000 1.144 336 I CB 1.065 38.932 38.000 -0.221 0.000 1.252 336 I HN 0.433 nan 8.210 nan 0.000 0.480 337 P HA 0.187 nan 4.420 nan 0.000 0.269 337 P C -0.484 176.999 177.300 0.304 0.000 1.209 337 P CA -0.271 62.970 63.100 0.235 0.000 0.776 337 P CB 0.894 32.773 31.700 0.299 0.000 0.876 338 L N 2.898 124.331 121.223 0.351 0.000 2.454 338 L HA 0.769 5.108 4.340 -0.001 0.000 0.258 338 L C -0.146 176.768 176.870 0.072 0.000 1.025 338 L CA 0.376 55.339 54.840 0.205 0.000 0.901 338 L CB 0.518 42.635 42.059 0.097 0.000 1.210 338 L HN 0.625 nan 8.230 nan 0.000 0.457 339 G N 1.822 110.565 108.800 -0.095 0.000 2.320 339 G HA2 0.451 4.410 3.960 -0.001 0.000 0.296 339 G HA3 0.451 4.410 3.960 -0.001 0.000 0.296 339 G C -2.195 172.627 174.900 -0.130 0.000 1.306 339 G CA -0.258 44.582 45.100 -0.433 0.000 0.836 339 G HN 0.413 nan 8.290 nan 0.000 0.517 340 D N -1.803 118.587 120.400 -0.017 0.000 2.865 340 D HA 0.250 4.889 4.640 -0.001 0.000 0.343 340 D C -0.915 175.552 176.300 0.278 0.000 1.372 340 D CA -0.620 53.544 54.000 0.273 0.000 0.862 340 D CB 0.936 41.839 40.800 0.172 0.000 1.425 340 D HN 0.219 nan 8.370 nan 0.000 0.501 341 N N 0.564 119.479 118.700 0.360 0.000 2.447 341 N HA 0.145 4.884 4.740 -0.001 0.000 0.263 341 N C -0.111 175.575 175.510 0.293 0.000 1.226 341 N CA 0.448 53.692 53.050 0.324 0.000 0.906 341 N CB -0.495 38.282 38.487 0.484 0.000 1.060 341 N HN 0.422 nan 8.380 nan 0.000 0.468 342 F N -0.741 119.293 119.950 0.141 0.000 3.048 342 F HA -0.311 4.216 4.527 -0.001 0.000 0.269 342 F C 0.997 176.848 175.800 0.085 0.000 0.960 342 F CA 0.639 58.695 58.000 0.092 0.000 0.909 342 F CB -0.838 38.203 39.000 0.069 0.000 0.837 342 F HN 0.344 nan 8.300 nan 0.000 0.768 343 R N -0.425 120.177 120.500 0.171 0.000 2.580 343 R HA 0.481 4.820 4.340 -0.001 0.000 0.267 343 R C 0.724 177.048 176.300 0.041 0.000 1.125 343 R CA -0.782 55.297 56.100 -0.036 0.000 1.188 343 R CB -0.055 30.115 30.300 -0.216 0.000 1.155 343 R HN 0.236 nan 8.270 nan 0.000 0.586 344 F N -0.679 119.108 119.950 -0.271 0.000 3.071 344 F HA -0.279 4.247 4.527 -0.001 0.000 0.295 344 F C 1.405 177.161 175.800 -0.073 0.000 0.919 344 F CA 1.014 58.666 58.000 -0.579 0.000 1.050 344 F CB -0.935 37.447 39.000 -1.031 0.000 1.040 344 F HN 0.588 nan 8.300 nan 0.000 0.692 345 K N 0.045 120.491 120.400 0.076 0.000 2.128 345 K HA 0.046 4.365 4.320 -0.001 0.000 0.202 345 K C 0.692 177.437 176.600 0.243 0.000 1.050 345 K CA 0.975 57.387 56.287 0.209 0.000 0.966 345 K CB 0.241 32.838 32.500 0.161 0.000 0.759 345 K HN 0.482 nan 8.250 nan 0.000 0.454 346 Q N 0.144 120.057 119.800 0.189 0.000 2.235 346 Q HA 0.167 4.506 4.340 -0.001 0.000 0.256 346 Q C 0.012 176.199 176.000 0.311 0.000 0.951 346 Q CA -0.464 55.478 55.803 0.233 0.000 0.890 346 Q CB 1.619 30.502 28.738 0.241 0.000 1.279 346 Q HN 0.196 nan 8.270 nan 0.000 0.444 347 N N 0.062 118.935 118.700 0.287 0.000 2.104 347 N HA -0.215 4.524 4.740 -0.001 0.000 0.190 347 N C 1.590 177.232 175.510 0.221 0.000 1.024 347 N CA 2.046 55.268 53.050 0.288 0.000 0.853 347 N CB -0.069 38.626 38.487 0.346 0.000 1.008 347 N HN 0.697 nan 8.380 nan 0.000 0.424 348 T N -1.493 113.204 114.554 0.238 0.000 2.881 348 T HA -0.149 4.200 4.350 -0.001 0.000 0.270 348 T C 1.647 176.528 174.700 0.301 0.000 1.068 348 T CA 1.102 63.359 62.100 0.261 0.000 1.131 348 T CB -0.201 68.812 68.868 0.241 0.000 0.871 348 T HN 0.339 nan 8.240 nan 0.000 0.479 349 E N -0.176 120.146 120.200 0.203 0.000 2.072 349 E HA -0.096 4.254 4.350 -0.001 0.000 0.190 349 E C 1.797 178.292 176.600 -0.174 0.000 0.982 349 E CA 0.768 57.061 56.400 -0.178 0.000 0.803 349 E CB -0.268 29.158 29.700 -0.457 0.000 0.755 349 E HN 0.706 nan 8.360 nan 0.000 0.453 350 W N 1.751 122.941 121.300 -0.182 0.000 2.335 350 W HA -0.188 4.471 4.660 -0.001 0.000 0.311 350 W C 2.140 178.581 176.519 -0.130 0.000 1.213 350 W CA 1.260 58.474 57.345 -0.219 0.000 1.274 350 W CB -0.264 28.675 29.460 -0.867 0.000 1.148 350 W HN 0.183 nan 8.180 nan 0.000 0.498 351 D N -0.474 120.004 120.400 0.131 0.000 2.097 351 D HA -0.181 4.458 4.640 -0.001 0.000 0.195 351 D C 2.293 178.665 176.300 0.121 0.000 0.989 351 D CA 1.557 55.658 54.000 0.168 0.000 0.827 351 D CB -1.023 39.887 40.800 0.184 0.000 0.966 351 D HN 0.019 nan 8.370 nan 0.000 0.456 352 V N 1.037 121.015 119.914 0.107 0.000 2.407 352 V HA -0.229 3.890 4.120 -0.001 0.000 0.248 352 V C 2.273 178.396 176.094 0.049 0.000 1.055 352 V CA 1.644 63.991 62.300 0.078 0.000 1.049 352 V CB -0.103 31.813 31.823 0.155 0.000 0.662 352 V HN 0.165 nan 8.190 nan 0.000 0.455 353 Q N -0.349 119.514 119.800 0.104 0.000 2.049 353 Q HA -0.192 4.148 4.340 -0.001 0.000 0.198 353 Q C 2.348 178.537 176.000 0.315 0.000 0.971 353 Q CA 1.940 57.898 55.803 0.258 0.000 0.833 353 Q CB -0.510 28.353 28.738 0.208 0.000 0.896 353 Q HN 0.636 nan 8.270 nan 0.000 0.434 354 R N 0.553 121.202 120.500 0.249 0.000 2.083 354 R HA -0.120 4.219 4.340 -0.001 0.000 0.237 354 R C 2.251 178.708 176.300 0.261 0.000 1.137 354 R CA 1.466 57.752 56.100 0.311 0.000 0.951 354 R CB -0.137 30.301 30.300 0.230 0.000 0.851 354 R HN 0.061 nan 8.270 nan 0.000 0.434 355 V N 1.998 121.981 119.914 0.116 0.000 2.295 355 V HA -0.262 3.857 4.120 -0.001 0.000 0.246 355 V C 2.062 178.087 176.094 -0.115 0.000 1.049 355 V CA 2.020 64.335 62.300 0.025 0.000 1.024 355 V CB -0.662 31.165 31.823 0.007 0.000 0.648 355 V HN 0.453 nan 8.190 nan 0.000 0.447 356 N N -0.733 117.779 118.700 -0.313 0.000 2.120 356 N HA -0.186 4.554 4.740 -0.001 0.000 0.188 356 N C 1.845 177.030 175.510 -0.541 0.000 1.024 356 N CA 1.758 54.415 53.050 -0.655 0.000 0.852 356 N CB -0.370 37.120 38.487 -1.662 0.000 1.003 356 N HN 0.549 nan 8.380 nan 0.000 0.424 357 Y N 1.775 121.864 120.300 -0.353 0.000 2.242 357 Y HA -0.080 4.469 4.550 -0.001 0.000 0.291 357 Y C 2.387 177.770 175.900 -0.862 0.000 1.137 357 Y CA 1.009 58.783 58.100 -0.543 0.000 1.181 357 Y CB -0.043 38.199 38.460 -0.363 0.000 0.989 357 Y HN 0.141 nan 8.280 nan 0.000 0.527 358 E N -0.272 119.787 120.200 -0.235 0.000 2.110 358 E HA -0.216 4.134 4.350 -0.001 0.000 0.193 358 E C 2.224 178.772 176.600 -0.087 0.000 0.988 358 E CA 0.925 57.268 56.400 -0.096 0.000 0.804 358 E CB -0.090 29.675 29.700 0.108 0.000 0.745 358 E HN 0.436 nan 8.360 nan 0.000 0.458 359 R N 0.302 120.729 120.500 -0.123 0.000 2.081 359 R HA -0.114 4.226 4.340 -0.001 0.000 0.235 359 R C 2.444 178.711 176.300 -0.055 0.000 1.131 359 R CA 0.971 57.026 56.100 -0.074 0.000 0.960 359 R CB -0.261 29.972 30.300 -0.111 0.000 0.856 359 R HN 0.170 nan 8.270 nan 0.000 0.436 360 L N -0.502 120.621 121.223 -0.166 0.000 2.017 360 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 360 L C 2.234 179.156 176.870 0.087 0.000 1.073 360 L CA 1.482 56.265 54.840 -0.095 0.000 0.745 360 L CB -0.465 41.456 42.059 -0.229 0.000 0.894 360 L HN 0.177 nan 8.230 nan 0.000 0.432 361 F N 0.027 119.990 119.950 0.022 0.000 2.134 361 F HA -0.251 4.275 4.527 -0.001 0.000 0.299 361 F C 2.718 178.522 175.800 0.006 0.000 1.097 361 F CA 1.018 59.017 58.000 -0.002 0.000 1.264 361 F CB -0.227 38.729 39.000 -0.073 0.000 1.001 361 F HN 0.179 nan 8.300 nan 0.000 0.479 362 E N 0.072 120.400 120.200 0.213 0.000 2.058 362 E HA -0.316 4.033 4.350 -0.001 0.000 0.194 362 E C 1.992 178.679 176.600 0.145 0.000 0.997 362 E CA 1.656 58.143 56.400 0.145 0.000 0.801 362 E CB -0.197 29.571 29.700 0.113 0.000 0.746 362 E HN 0.488 nan 8.360 nan 0.000 0.450 363 H N 0.285 119.398 119.070 0.071 0.000 2.299 363 H HA -0.065 4.490 4.556 -0.001 0.000 0.302 363 H C 2.072 177.471 175.328 0.118 0.000 1.078 363 H CA 2.235 58.335 56.048 0.087 0.000 1.323 363 H CB -0.258 29.552 29.762 0.079 0.000 1.381 363 H HN 0.153 nan 8.280 nan 0.000 0.498 364 I N 0.568 121.183 120.570 0.075 0.000 2.151 364 I HA -0.325 3.845 4.170 -0.001 0.000 0.243 364 I C 1.683 177.798 176.117 -0.005 0.000 1.080 364 I CA 1.552 62.831 61.300 -0.036 0.000 1.339 364 I CB -0.357 37.575 38.000 -0.114 0.000 1.039 364 I HN 0.387 nan 8.210 nan 0.000 0.409 365 N N 0.340 119.044 118.700 0.006 0.000 2.453 365 N HA -0.108 4.632 4.740 -0.001 0.000 0.183 365 N C 1.767 177.258 175.510 -0.032 0.000 1.041 365 N CA 1.458 54.492 53.050 -0.027 0.000 0.900 365 N CB -0.278 38.188 38.487 -0.035 0.000 0.961 365 N HN 0.423 nan 8.380 nan 0.000 0.443 366 S N -0.984 114.695 115.700 -0.036 0.000 2.556 366 S HA 0.149 4.619 4.470 -0.001 0.000 0.216 366 S C 0.493 175.048 174.600 -0.075 0.000 0.970 366 S CA -0.229 57.947 58.200 -0.041 0.000 0.912 366 S CB 0.285 63.476 63.200 -0.014 0.000 0.790 366 S HN -0.046 nan 8.310 nan 0.000 0.504 367 Q N 1.490 121.217 119.800 -0.122 0.000 2.569 367 Q HA 0.546 4.885 4.340 -0.001 0.000 0.226 367 Q C 1.089 176.958 176.000 -0.218 0.000 1.136 367 Q CA 0.093 55.780 55.803 -0.193 0.000 0.947 367 Q CB 0.816 29.340 28.738 -0.357 0.000 1.218 367 Q HN 0.457 nan 8.270 nan 0.000 0.547 368 A N 2.068 124.824 122.820 -0.108 0.000 1.971 368 A HA -0.300 4.020 4.320 -0.001 0.000 0.222 368 A C 1.646 179.174 177.584 -0.093 0.000 1.182 368 A CA 2.399 54.391 52.037 -0.076 0.000 0.649 368 A CB -0.822 18.159 19.000 -0.032 0.000 0.818 368 A HN 0.880 nan 8.150 nan 0.000 0.458 369 H N -3.472 115.527 119.070 -0.119 0.000 2.518 369 H HA -0.008 4.548 4.556 -0.001 0.000 0.292 369 H C 1.449 176.706 175.328 -0.118 0.000 1.068 369 H CA 1.519 57.479 56.048 -0.148 0.000 1.275 369 H CB -0.667 28.952 29.762 -0.239 0.000 1.375 369 H HN 0.527 nan 8.280 nan 0.000 0.563 370 F N 0.699 120.374 119.950 -0.459 0.000 2.416 370 F HA 0.037 4.564 4.527 -0.001 0.000 0.296 370 F C 0.670 176.409 175.800 -0.103 0.000 1.099 370 F CA 0.093 57.945 58.000 -0.247 0.000 1.427 370 F CB 0.139 38.958 39.000 -0.301 0.000 1.079 370 F HN 0.115 nan 8.300 nan 0.000 0.536 371 N N 1.007 119.748 118.700 0.068 0.000 2.725 371 N HA -0.164 4.575 4.740 -0.001 0.000 0.251 371 N C -1.145 174.339 175.510 -0.043 0.000 1.031 371 N CA 0.383 53.451 53.050 0.030 0.000 0.720 371 N CB -1.457 37.094 38.487 0.106 0.000 0.930 371 N HN 0.016 nan 8.380 nan 0.000 0.543 372 V N 0.613 120.494 119.914 -0.055 0.000 2.735 372 V HA 0.437 4.556 4.120 -0.001 0.000 0.310 372 V C 0.122 176.123 176.094 -0.155 0.000 1.061 372 V CA -0.656 61.559 62.300 -0.141 0.000 0.913 372 V CB 2.479 34.248 31.823 -0.091 0.000 1.005 372 V HN 0.189 nan 8.190 nan 0.000 0.428 373 Q N 3.010 122.663 119.800 -0.245 0.000 2.347 373 Q HA 0.752 5.092 4.340 -0.001 0.000 0.265 373 Q C -0.865 174.875 176.000 -0.434 0.000 1.024 373 Q CA -0.127 55.511 55.803 -0.276 0.000 0.731 373 Q CB 1.575 30.157 28.738 -0.261 0.000 1.245 373 Q HN 1.006 nan 8.270 nan 0.000 0.472 374 A N 4.012 126.558 122.820 -0.456 0.000 2.340 374 A HA 0.951 5.271 4.320 -0.001 0.000 0.331 374 A C -1.152 175.750 177.584 -1.138 0.000 1.140 374 A CA -0.445 51.145 52.037 -0.746 0.000 0.801 374 A CB 1.286 19.994 19.000 -0.488 0.000 1.234 374 A HN 0.771 nan 8.150 nan 0.000 0.469 375 Q N 0.962 119.992 119.800 -1.285 0.000 2.756 375 Q HA 0.373 4.712 4.340 -0.001 0.000 0.295 375 Q C -1.662 173.955 176.000 -0.639 0.000 0.903 375 Q CA -0.593 54.511 55.803 -1.165 0.000 0.768 375 Q CB 0.482 28.913 28.738 -0.512 0.000 1.472 375 Q HN 0.483 nan 8.270 nan 0.000 0.416 376 F N 0.234 120.122 119.950 -0.104 0.000 2.459 376 F HA 0.638 5.164 4.527 -0.001 0.000 0.346 376 F C 1.273 177.125 175.800 0.088 0.000 1.128 376 F CA 1.172 59.220 58.000 0.080 0.000 1.268 376 F CB 1.295 40.391 39.000 0.160 0.000 1.161 376 F HN 0.757 nan 8.300 nan 0.000 0.583 377 G N 0.455 109.432 108.800 0.295 0.000 2.682 377 G HA2 0.556 4.516 3.960 -0.001 0.000 0.290 377 G HA3 0.556 4.516 3.960 -0.001 0.000 0.290 377 G C -1.218 173.668 174.900 -0.024 0.000 1.425 377 G CA -0.760 44.433 45.100 0.154 0.000 0.807 377 G HN 0.658 nan 8.290 nan 0.000 0.482 378 T N -1.717 112.745 114.554 -0.154 0.000 2.937 378 T HA 0.477 4.826 4.350 -0.001 0.000 0.283 378 T C 1.326 175.871 174.700 -0.260 0.000 1.012 378 T CA -0.448 61.533 62.100 -0.197 0.000 0.997 378 T CB 1.509 70.275 68.868 -0.170 0.000 1.136 378 T HN 0.588 nan 8.240 nan 0.000 0.551 379 L N 0.515 121.589 121.223 -0.249 0.000 2.017 379 L HA 0.015 4.354 4.340 -0.001 0.000 0.208 379 L C 2.755 179.580 176.870 -0.075 0.000 1.073 379 L CA 1.984 56.708 54.840 -0.195 0.000 0.745 379 L CB -1.181 40.805 42.059 -0.122 0.000 0.894 379 L HN 0.884 nan 8.230 nan 0.000 0.432 380 Q N -0.061 119.724 119.800 -0.024 0.000 2.124 380 Q HA -0.221 4.119 4.340 -0.001 0.000 0.202 380 Q C 2.083 178.016 176.000 -0.110 0.000 0.977 380 Q CA 1.935 57.759 55.803 0.034 0.000 0.850 380 Q CB -0.174 28.556 28.738 -0.012 0.000 0.901 380 Q HN 0.637 nan 8.270 nan 0.000 0.429 381 E N -1.222 118.816 120.200 -0.270 0.000 2.077 381 E HA -0.225 4.124 4.350 -0.001 0.000 0.193 381 E C 1.685 177.851 176.600 -0.724 0.000 0.989 381 E CA 1.215 57.324 56.400 -0.484 0.000 0.800 381 E CB -0.312 28.993 29.700 -0.658 0.000 0.746 381 E HN 0.469 nan 8.360 nan 0.000 0.452 382 Y N 0.603 120.386 120.300 -0.860 0.000 2.070 382 Y HA -0.266 4.284 4.550 -0.001 0.000 0.280 382 Y C 1.884 177.510 175.900 -0.456 0.000 1.148 382 Y CA 1.708 59.352 58.100 -0.760 0.000 1.125 382 Y CB -0.694 37.333 38.460 -0.722 0.000 0.975 382 Y HN -0.026 nan 8.280 nan 0.000 0.492 383 F N 0.644 120.343 119.950 -0.419 0.000 2.126 383 F HA -0.267 4.260 4.527 -0.001 0.000 0.299 383 F C 2.245 177.835 175.800 -0.350 0.000 1.096 383 F CA 1.345 59.093 58.000 -0.420 0.000 1.255 383 F CB -0.309 38.639 39.000 -0.086 0.000 0.997 383 F HN 0.115 nan 8.300 nan 0.000 0.479 384 D N 0.263 120.623 120.400 -0.067 0.000 2.117 384 D HA -0.163 4.477 4.640 -0.001 0.000 0.197 384 D C 2.282 178.515 176.300 -0.111 0.000 0.987 384 D CA 1.393 55.362 54.000 -0.051 0.000 0.829 384 D CB -0.557 40.200 40.800 -0.072 0.000 0.961 384 D HN 0.264 nan 8.370 nan 0.000 0.460 385 A N 0.581 123.279 122.820 -0.203 0.000 1.930 385 A HA -0.103 4.216 4.320 -0.001 0.000 0.217 385 A C 2.535 180.004 177.584 -0.191 0.000 1.175 385 A CA 0.945 52.905 52.037 -0.128 0.000 0.627 385 A CB -0.684 18.323 19.000 0.013 0.000 0.815 385 A HN 0.130 nan 8.150 nan 0.000 0.443 386 V N -0.073 119.594 119.914 -0.411 0.000 2.287 386 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 386 V C 2.443 178.343 176.094 -0.324 0.000 1.053 386 V CA 2.180 64.221 62.300 -0.433 0.000 1.027 386 V CB -1.003 30.377 31.823 -0.739 0.000 0.646 386 V HN 0.654 nan 8.190 nan 0.000 0.447 387 H N -0.321 118.639 119.070 -0.183 0.000 2.462 387 H HA -0.077 4.479 4.556 -0.001 0.000 0.292 387 H C 2.416 177.711 175.328 -0.056 0.000 1.049 387 H CA 1.390 57.360 56.048 -0.130 0.000 1.334 387 H CB -0.068 29.580 29.762 -0.190 0.000 1.404 387 H HN 0.557 nan 8.280 nan 0.000 0.544 388 Q N 0.245 120.061 119.800 0.026 0.000 2.084 388 Q HA -0.055 4.285 4.340 -0.001 0.000 0.202 388 Q C 2.546 178.560 176.000 0.024 0.000 0.978 388 Q CA 1.253 57.069 55.803 0.020 0.000 0.844 388 Q CB 0.013 28.752 28.738 0.002 0.000 0.898 388 Q HN 0.396 nan 8.270 nan 0.000 0.426 389 A N 1.068 123.895 122.820 0.012 0.000 1.898 389 A HA -0.256 4.063 4.320 -0.001 0.000 0.216 389 A C 1.935 179.543 177.584 0.040 0.000 1.181 389 A CA 1.575 53.632 52.037 0.033 0.000 0.620 389 A CB -0.537 18.487 19.000 0.040 0.000 0.819 389 A HN 0.451 nan 8.150 nan 0.000 0.442 390 E N -0.145 120.092 120.200 0.062 0.000 2.038 390 E HA -0.240 4.109 4.350 -0.001 0.000 0.195 390 E C 2.226 178.861 176.600 0.058 0.000 1.000 390 E CA 1.318 57.766 56.400 0.080 0.000 0.803 390 E CB -0.164 29.679 29.700 0.237 0.000 0.750 390 E HN 0.570 nan 8.360 nan 0.000 0.448 391 R N -0.304 120.235 120.500 0.064 0.000 2.152 391 R HA -0.060 4.280 4.340 -0.001 0.000 0.232 391 R C 2.114 178.431 176.300 0.028 0.000 1.117 391 R CA 0.859 56.984 56.100 0.043 0.000 0.981 391 R CB -0.164 30.157 30.300 0.036 0.000 0.870 391 R HN 0.164 nan 8.270 nan 0.000 0.451 392 A N 0.193 123.030 122.820 0.029 0.000 2.235 392 A HA 0.160 4.480 4.320 -0.001 0.000 0.208 392 A C 1.326 178.921 177.584 0.019 0.000 1.172 392 A CA 0.790 52.842 52.037 0.025 0.000 0.786 392 A CB -0.191 18.829 19.000 0.034 0.000 0.804 392 A HN 0.448 nan 8.150 nan 0.000 0.479 393 G N -0.292 108.516 108.800 0.012 0.000 2.147 393 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.244 393 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.244 393 G C 0.618 175.511 174.900 -0.012 0.000 1.005 393 G CA 0.642 45.741 45.100 -0.002 0.000 0.713 393 G HN 0.998 nan 8.290 nan 0.000 0.515 394 Q N -1.032 118.766 119.800 -0.004 0.000 2.360 394 Q HA 0.689 5.029 4.340 -0.001 0.000 0.202 394 Q C 0.822 176.794 176.000 -0.045 0.000 0.915 394 Q CA 0.965 56.766 55.803 -0.003 0.000 0.943 394 Q CB 0.505 29.276 28.738 0.056 0.000 1.064 394 Q HN 1.645 nan 8.270 nan 0.000 0.511 395 A N 1.272 124.023 122.820 -0.115 0.000 2.605 395 A HA 0.527 4.847 4.320 -0.001 0.000 0.294 395 A C -1.785 175.575 177.584 -0.373 0.000 1.062 395 A CA -0.925 50.954 52.037 -0.262 0.000 0.682 395 A CB 1.304 20.082 19.000 -0.370 0.000 1.278 395 A HN 0.348 nan 8.150 nan 0.000 0.410 396 E N 0.821 120.770 120.200 -0.418 0.000 2.272 396 E HA 0.726 5.076 4.350 -0.001 0.000 0.269 396 E C -1.751 174.638 176.600 -0.352 0.000 0.877 396 E CA -0.581 55.646 56.400 -0.289 0.000 0.755 396 E CB 1.728 31.374 29.700 -0.090 0.000 1.192 396 E HN 0.379 nan 8.360 nan 0.000 0.422 397 F N 2.148 122.203 119.950 0.175 0.000 2.422 397 F HA 0.421 4.948 4.527 -0.000 0.000 0.333 397 F C -1.713 174.188 175.800 0.169 0.000 1.095 397 F CA -2.076 56.051 58.000 0.211 0.000 1.038 397 F CB 1.321 40.526 39.000 0.341 0.000 1.156 397 F HN 0.340 nan 8.300 nan 0.000 0.483 398 P HA 0.152 nan 4.420 nan 0.000 0.274 398 P C -0.674 176.767 177.300 0.236 0.000 1.237 398 P CA -0.357 62.874 63.100 0.218 0.000 0.793 398 P CB 1.046 32.844 31.700 0.165 0.000 0.977 399 T N -0.582 114.062 114.554 0.151 0.000 2.928 399 T HA 0.709 5.058 4.350 -0.001 0.000 0.284 399 T C -0.271 174.466 174.700 0.063 0.000 1.008 399 T CA -0.821 61.363 62.100 0.141 0.000 1.057 399 T CB 1.214 70.141 68.868 0.099 0.000 1.018 399 T HN 0.484 nan 8.240 nan 0.000 0.493 400 L N 1.289 122.552 121.223 0.066 0.000 2.506 400 L HA 0.714 5.054 4.340 -0.001 0.000 0.257 400 L C -0.957 175.925 176.870 0.021 0.000 0.964 400 L CA -0.444 54.337 54.840 -0.099 0.000 0.836 400 L CB 2.204 43.983 42.059 -0.466 0.000 1.384 400 L HN 1.133 nan 8.230 nan 0.000 0.410 401 S N 2.245 117.911 115.700 -0.057 0.000 2.588 401 S HA 1.050 5.520 4.470 -0.001 0.000 0.275 401 S C -0.443 174.108 174.600 -0.081 0.000 1.130 401 S CA 0.028 58.252 58.200 0.041 0.000 0.855 401 S CB 2.080 65.254 63.200 -0.044 0.000 1.116 401 S HN 1.747 nan 8.310 nan 0.000 0.472 402 G N 1.266 110.067 108.800 0.002 0.000 2.331 402 G HA2 0.338 4.297 3.960 -0.001 0.000 0.402 402 G HA3 0.338 4.297 3.960 -0.001 0.000 0.402 402 G C -1.795 173.024 174.900 -0.135 0.000 1.275 402 G CA -0.013 44.986 45.100 -0.169 0.000 1.003 402 G HN 1.288 nan 8.290 nan 0.000 0.500 403 D N -1.722 118.463 120.400 -0.358 0.000 2.687 403 D HA 0.749 5.388 4.640 -0.001 0.000 0.264 403 D C -0.662 175.144 176.300 -0.822 0.000 1.091 403 D CA -1.085 52.733 54.000 -0.303 0.000 1.123 403 D CB 1.088 41.889 40.800 0.002 0.000 1.407 403 D HN 0.420 nan 8.370 nan 0.000 0.591 404 F N -0.419 119.425 119.950 -0.175 0.000 2.597 404 F HA 0.423 4.949 4.527 -0.001 0.000 0.336 404 F C -0.862 174.789 175.800 -0.248 0.000 1.432 404 F CA -0.637 57.253 58.000 -0.183 0.000 1.120 404 F CB 0.312 39.226 39.000 -0.144 0.000 1.253 404 F HN 0.008 nan 8.300 nan 0.000 0.546 405 F N -0.653 119.479 119.950 0.304 0.000 2.563 405 F HA 0.520 5.047 4.527 -0.001 0.000 0.316 405 F C 0.398 176.447 175.800 0.415 0.000 1.076 405 F CA -1.133 57.111 58.000 0.408 0.000 0.921 405 F CB 2.123 41.348 39.000 0.376 0.000 1.209 405 F HN -0.254 nan 8.300 nan 0.000 0.462 406 T N 1.877 116.804 114.554 0.622 0.000 2.799 406 T HA 0.160 4.509 4.350 -0.001 0.000 0.286 406 T C -0.940 174.230 174.700 0.783 0.000 0.973 406 T CA -0.294 62.244 62.100 0.730 0.000 1.035 406 T CB 0.345 69.510 68.868 0.494 0.000 0.932 406 T HN 0.374 nan 8.240 nan 0.000 0.469 407 Y N 2.936 123.569 120.300 0.556 0.000 2.497 407 Y HA 0.405 4.954 4.550 -0.001 0.000 0.334 407 Y C -0.153 175.793 175.900 0.076 0.000 1.199 407 Y CA -0.886 57.371 58.100 0.261 0.000 1.425 407 Y CB 0.184 38.686 38.460 0.069 0.000 1.291 407 Y HN 0.682 nan 8.280 nan 0.000 0.562 408 A N 5.220 127.516 122.820 -0.873 0.000 2.408 408 A HA 0.335 4.654 4.320 -0.001 0.000 0.295 408 A C -0.193 176.743 177.584 -1.080 0.000 1.040 408 A CA -0.259 51.163 52.037 -1.025 0.000 0.707 408 A CB 0.670 18.806 19.000 -1.439 0.000 1.235 408 A HN 0.803 nan 8.150 nan 0.000 0.418 409 D N 1.748 121.676 120.400 -0.786 0.000 2.346 409 D HA 0.051 4.690 4.640 -0.001 0.000 0.206 409 D C 0.535 176.852 176.300 0.029 0.000 1.001 409 D CA 0.560 54.371 54.000 -0.314 0.000 0.871 409 D CB 0.184 40.938 40.800 -0.076 0.000 0.943 409 D HN 0.740 nan 8.370 nan 0.000 0.518 410 R N -1.172 119.287 120.500 -0.068 0.000 2.687 410 R HA 0.335 4.674 4.340 -0.001 0.000 0.265 410 R C 0.257 176.458 176.300 -0.165 0.000 1.048 410 R CA -0.065 55.858 56.100 -0.295 0.000 0.884 410 R CB 0.645 30.837 30.300 -0.179 0.000 1.258 410 R HN -0.024 nan 8.270 nan 0.000 0.469 411 S N 1.194 116.742 115.700 -0.254 0.000 4.136 411 S HA -0.386 4.083 4.470 -0.001 0.000 0.539 411 S C 0.714 175.409 174.600 0.158 0.000 1.754 411 S CA 1.793 59.995 58.200 0.004 0.000 4.093 411 S CB -1.596 61.595 63.200 -0.015 0.000 1.066 411 S HN 1.048 nan 8.310 nan 0.000 0.491 412 D N 1.592 122.068 120.400 0.128 0.000 2.424 412 D HA 0.174 4.814 4.640 -0.001 0.000 0.220 412 D C -0.159 176.262 176.300 0.203 0.000 1.150 412 D CA -0.282 53.863 54.000 0.242 0.000 0.831 412 D CB -1.514 39.403 40.800 0.195 0.000 0.981 412 D HN 0.656 nan 8.370 nan 0.000 0.500 413 N N 0.979 119.706 118.700 0.046 0.000 2.671 413 N HA 0.031 4.770 4.740 -0.001 0.000 0.274 413 N C -0.920 174.636 175.510 0.077 0.000 1.188 413 N CA -0.229 52.849 53.050 0.046 0.000 1.065 413 N CB 0.080 38.575 38.487 0.013 0.000 1.415 413 N HN 0.144 nan 8.380 nan 0.000 0.511 414 Y N 0.265 120.654 120.300 0.147 0.000 2.316 414 Y HA 0.110 4.659 4.550 -0.001 0.000 0.331 414 Y C 0.097 176.200 175.900 0.337 0.000 1.083 414 Y CA -0.696 57.551 58.100 0.245 0.000 1.206 414 Y CB 0.544 39.100 38.460 0.160 0.000 1.195 414 Y HN 0.382 nan 8.280 nan 0.000 0.497 415 W N 2.553 123.984 121.300 0.219 0.000 1.694 415 W HA 0.217 4.877 4.660 -0.001 0.000 0.425 415 W C 0.819 177.399 176.519 0.102 0.000 0.615 415 W CA -0.590 56.914 57.345 0.266 0.000 2.237 415 W CB -0.587 29.130 29.460 0.428 0.000 1.478 415 W HN 0.546 nan 8.180 nan 0.000 0.427 416 S N -2.081 113.657 115.700 0.064 0.000 2.540 416 S HA 0.151 4.620 4.470 -0.001 0.000 0.218 416 S C 1.907 176.233 174.600 -0.457 0.000 0.977 416 S CA 0.284 58.127 58.200 -0.595 0.000 0.918 416 S CB 0.218 63.395 63.200 -0.040 0.000 0.806 416 S HN 0.331 nan 8.310 nan 0.000 0.496 417 G N 2.004 110.745 108.800 -0.098 0.000 2.408 417 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.217 417 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.217 417 G C 1.236 176.131 174.900 -0.009 0.000 1.150 417 G CA 0.856 45.910 45.100 -0.077 0.000 0.776 417 G HN 0.794 nan 8.290 nan 0.000 0.542 418 Y N -0.732 119.551 120.300 -0.028 0.000 2.639 418 Y HA 0.120 4.670 4.550 -0.001 0.000 0.297 418 Y C 1.929 177.963 175.900 0.224 0.000 1.151 418 Y CA 0.159 58.321 58.100 0.103 0.000 1.335 418 Y CB -0.525 38.086 38.460 0.252 0.000 0.994 418 Y HN 0.346 nan 8.280 nan 0.000 0.548 419 Y N 0.210 120.318 120.300 -0.319 0.000 2.571 419 Y HA -0.075 4.474 4.550 -0.001 0.000 0.294 419 Y C 1.451 177.300 175.900 -0.084 0.000 1.141 419 Y CA 0.552 58.467 58.100 -0.309 0.000 1.308 419 Y CB 0.221 38.547 38.460 -0.223 0.000 1.002 419 Y HN 0.260 nan 8.280 nan 0.000 0.551 420 T N -2.342 112.285 114.554 0.122 0.000 2.980 420 T HA 0.037 4.386 4.350 -0.001 0.000 0.252 420 T C 0.625 175.416 174.700 0.151 0.000 0.962 420 T CA -0.174 61.997 62.100 0.119 0.000 0.932 420 T CB 0.098 69.007 68.868 0.068 0.000 1.188 420 T HN -0.093 nan 8.240 nan 0.000 0.500 421 S N 2.588 118.375 115.700 0.146 0.000 2.642 421 S HA 0.137 4.606 4.470 -0.001 0.000 0.308 421 S C 0.441 175.179 174.600 0.231 0.000 1.255 421 S CA 0.071 58.370 58.200 0.164 0.000 1.057 421 S CB 0.024 63.307 63.200 0.139 0.000 0.785 421 S HN 0.411 nan 8.310 nan 0.000 0.500 422 R N 1.136 121.787 120.500 0.253 0.000 3.205 422 R HA -0.125 4.214 4.340 -0.001 0.000 0.249 422 R C -1.849 174.693 176.300 0.405 0.000 0.937 422 R CA 0.722 57.044 56.100 0.370 0.000 0.641 422 R CB -1.711 28.843 30.300 0.424 0.000 1.114 422 R HN 0.524 nan 8.270 nan 0.000 0.451 423 P HA -0.238 nan 4.420 nan 0.000 0.222 423 P C 1.115 178.616 177.300 0.335 0.000 1.147 423 P CA 1.058 64.370 63.100 0.353 0.000 0.790 423 P CB -0.019 31.935 31.700 0.424 0.000 0.780 424 Y N 1.584 121.962 120.300 0.130 0.000 2.128 424 Y HA -0.254 4.295 4.550 -0.001 0.000 0.284 424 Y C 2.306 178.180 175.900 -0.044 0.000 1.154 424 Y CA 2.097 60.195 58.100 -0.004 0.000 1.149 424 Y CB -1.031 37.293 38.460 -0.227 0.000 0.976 424 Y HN 0.064 nan 8.280 nan 0.000 0.505 425 H N -0.820 118.482 119.070 0.387 0.000 2.502 425 H HA 0.020 4.575 4.556 -0.001 0.000 0.283 425 H C 1.998 177.450 175.328 0.207 0.000 1.015 425 H CA 1.227 57.400 56.048 0.209 0.000 1.298 425 H CB -0.049 29.891 29.762 0.296 0.000 1.411 425 H HN 0.270 nan 8.280 nan 0.000 0.556 426 K N 0.281 120.877 120.400 0.327 0.000 2.097 426 K HA -0.103 4.216 4.320 -0.001 0.000 0.205 426 K C 2.199 178.846 176.600 0.079 0.000 1.050 426 K CA 0.893 57.329 56.287 0.247 0.000 0.938 426 K CB 0.147 32.773 32.500 0.210 0.000 0.718 426 K HN 0.026 nan 8.250 nan 0.000 0.442 427 R N 1.526 122.035 120.500 0.015 0.000 2.073 427 R HA 0.023 4.362 4.340 -0.001 0.000 0.229 427 R C 2.010 178.034 176.300 -0.460 0.000 1.120 427 R CA 1.372 57.411 56.100 -0.102 0.000 0.967 427 R CB -0.489 29.850 30.300 0.066 0.000 0.862 427 R HN 0.133 nan 8.270 nan 0.000 0.436 428 M N 0.375 119.549 119.600 -0.711 0.000 2.149 428 M HA -0.204 4.275 4.480 -0.001 0.000 0.261 428 M C 1.420 177.337 176.300 -0.638 0.000 1.064 428 M CA 2.445 57.057 55.300 -1.147 0.000 1.102 428 M CB -0.326 31.790 32.600 -0.808 0.000 1.369 428 M HN 0.296 nan 8.290 nan 0.000 0.408 429 D N -0.281 119.958 120.400 -0.268 0.000 2.123 429 D HA -0.214 4.425 4.640 -0.001 0.000 0.196 429 D C 1.885 178.098 176.300 -0.145 0.000 0.992 429 D CA 1.415 55.375 54.000 -0.066 0.000 0.833 429 D CB 0.120 41.042 40.800 0.202 0.000 0.954 429 D HN 0.242 nan 8.370 nan 0.000 0.455 430 R N 0.060 120.457 120.500 -0.172 0.000 2.115 430 R HA -0.004 4.335 4.340 -0.001 0.000 0.226 430 R C 2.402 178.589 176.300 -0.188 0.000 1.100 430 R CA 0.399 56.407 56.100 -0.153 0.000 0.980 430 R CB -0.893 29.338 30.300 -0.116 0.000 0.875 430 R HN 0.265 nan 8.270 nan 0.000 0.445 431 V N 1.453 121.155 119.914 -0.354 0.000 2.307 431 V HA -0.200 3.919 4.120 -0.001 0.000 0.245 431 V C 2.339 178.252 176.094 -0.302 0.000 1.045 431 V CA 1.389 63.464 62.300 -0.375 0.000 1.024 431 V CB -0.536 30.770 31.823 -0.862 0.000 0.651 431 V HN 0.127 nan 8.190 nan 0.000 0.449 432 L N -0.277 120.696 121.223 -0.416 0.000 2.093 432 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 432 L C 2.317 179.112 176.870 -0.124 0.000 1.085 432 L CA 2.073 56.734 54.840 -0.299 0.000 0.755 432 L CB -0.735 41.150 42.059 -0.289 0.000 0.904 432 L HN 0.346 nan 8.230 nan 0.000 0.435 433 M N -1.295 118.232 119.600 -0.122 0.000 2.089 433 M HA -0.340 4.139 4.480 -0.001 0.000 0.257 433 M C 2.368 178.626 176.300 -0.069 0.000 1.071 433 M CA 2.471 57.704 55.300 -0.111 0.000 1.096 433 M CB -0.433 32.072 32.600 -0.157 0.000 1.330 433 M HN 0.555 nan 8.290 nan 0.000 0.403 434 H N -0.710 118.321 119.070 -0.064 0.000 2.363 434 H HA -0.142 4.414 4.556 -0.001 0.000 0.301 434 H C 1.461 176.837 175.328 0.079 0.000 1.074 434 H CA 2.281 58.325 56.048 -0.007 0.000 1.354 434 H CB -0.375 29.391 29.762 0.007 0.000 1.397 434 H HN 0.480 nan 8.280 nan 0.000 0.516 435 Y N -0.361 119.757 120.300 -0.303 0.000 2.181 435 Y HA -0.163 4.386 4.550 -0.001 0.000 0.288 435 Y C 2.768 178.528 175.900 -0.234 0.000 1.146 435 Y CA 1.259 59.193 58.100 -0.276 0.000 1.164 435 Y CB -0.671 37.697 38.460 -0.154 0.000 0.982 435 Y HN 0.110 nan 8.280 nan 0.000 0.515 436 V N 0.267 120.167 119.914 -0.024 0.000 2.295 436 V HA -0.319 3.800 4.120 -0.001 0.000 0.246 436 V C 2.539 178.571 176.094 -0.104 0.000 1.049 436 V CA 2.260 64.519 62.300 -0.068 0.000 1.024 436 V CB -0.602 31.173 31.823 -0.080 0.000 0.648 436 V HN 0.328 nan 8.190 nan 0.000 0.447 437 R N 0.424 120.845 120.500 -0.132 0.000 2.091 437 R HA -0.170 4.170 4.340 -0.001 0.000 0.238 437 R C 2.216 178.455 176.300 -0.103 0.000 1.136 437 R CA 1.866 57.899 56.100 -0.112 0.000 0.959 437 R CB -0.481 29.760 30.300 -0.099 0.000 0.856 437 R HN 0.459 nan 8.270 nan 0.000 0.437 438 A N 0.695 123.392 122.820 -0.205 0.000 1.930 438 A HA -0.029 4.291 4.320 -0.001 0.000 0.217 438 A C 2.366 179.900 177.584 -0.084 0.000 1.175 438 A CA 1.503 53.483 52.037 -0.096 0.000 0.627 438 A CB -0.670 18.189 19.000 -0.236 0.000 0.815 438 A HN 0.572 nan 8.150 nan 0.000 0.443 439 A N -0.130 122.625 122.820 -0.108 0.000 1.873 439 A HA -0.149 4.171 4.320 -0.001 0.000 0.215 439 A C 1.935 179.464 177.584 -0.091 0.000 1.186 439 A CA 1.528 53.511 52.037 -0.089 0.000 0.616 439 A CB -0.523 18.433 19.000 -0.074 0.000 0.823 439 A HN 0.600 nan 8.150 nan 0.000 0.442 440 E N -1.002 119.144 120.200 -0.091 0.000 2.110 440 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 440 E C 2.040 178.571 176.600 -0.115 0.000 0.988 440 E CA 1.365 57.703 56.400 -0.103 0.000 0.804 440 E CB -0.238 29.405 29.700 -0.096 0.000 0.745 440 E HN 0.746 nan 8.360 nan 0.000 0.458 441 M N 0.628 120.182 119.600 -0.076 0.000 2.098 441 M HA -0.136 4.343 4.480 -0.001 0.000 0.262 441 M C 2.154 178.435 176.300 -0.031 0.000 1.072 441 M CA 1.301 56.556 55.300 -0.076 0.000 1.133 441 M CB 0.058 32.713 32.600 0.092 0.000 1.344 441 M HN 0.074 nan 8.290 nan 0.000 0.414 442 L N 0.037 121.299 121.223 0.065 0.000 2.079 442 L HA -0.195 4.144 4.340 -0.001 0.000 0.210 442 L C 2.585 179.603 176.870 0.247 0.000 1.081 442 L CA 1.719 56.657 54.840 0.162 0.000 0.752 442 L CB -0.552 41.450 42.059 -0.095 0.000 0.896 442 L HN 0.512 nan 8.230 nan 0.000 0.433 443 S N -1.065 114.700 115.700 0.109 0.000 2.528 443 S HA 0.088 4.557 4.470 -0.001 0.000 0.219 443 S C 1.954 176.726 174.600 0.287 0.000 0.985 443 S CA 0.358 58.698 58.200 0.234 0.000 0.914 443 S CB 0.082 63.203 63.200 -0.131 0.000 0.776 443 S HN 0.292 nan 8.310 nan 0.000 0.526 444 A N 0.989 123.798 122.820 -0.018 0.000 2.015 444 A HA 0.093 4.412 4.320 -0.001 0.000 0.219 444 A C 1.704 179.177 177.584 -0.185 0.000 1.163 444 A CA 0.773 52.700 52.037 -0.184 0.000 0.646 444 A CB -1.186 17.548 19.000 -0.443 0.000 0.806 444 A HN 0.752 nan 8.150 nan 0.000 0.448 445 W N -0.626 120.687 121.300 0.020 0.000 2.364 445 W HA -0.055 4.605 4.660 -0.001 0.000 0.281 445 W C 1.038 177.380 176.519 -0.296 0.000 1.219 445 W CA 1.137 58.405 57.345 -0.128 0.000 1.220 445 W CB -0.194 29.142 29.460 -0.205 0.000 1.127 445 W HN 0.400 nan 8.180 nan 0.000 0.556 446 H N -2.385 116.762 119.070 0.127 0.000 2.771 446 H HA 0.384 4.940 4.556 -0.001 0.000 0.367 446 H C -0.482 174.759 175.328 -0.145 0.000 1.172 446 H CA -0.912 55.047 56.048 -0.148 0.000 1.186 446 H CB 1.783 31.205 29.762 -0.566 0.000 1.790 446 H HN -0.443 nan 8.280 nan 0.000 0.556 447 S N 0.790 116.448 115.700 -0.070 0.000 2.508 447 S HA 0.326 4.796 4.470 -0.001 0.000 0.284 447 S C -1.444 173.062 174.600 -0.157 0.000 1.192 447 S CA -0.687 57.505 58.200 -0.013 0.000 1.070 447 S CB 0.202 63.397 63.200 -0.008 0.000 1.004 447 S HN 0.384 nan 8.310 nan 0.000 0.493 448 W N 2.229 123.529 121.300 0.001 0.000 2.666 448 W HA 0.365 5.025 4.660 -0.001 0.000 0.334 448 W C -0.085 176.392 176.519 -0.070 0.000 1.051 448 W CA -0.902 56.419 57.345 -0.041 0.000 1.224 448 W CB 0.572 29.974 29.460 -0.096 0.000 1.405 448 W HN 0.626 nan 8.180 nan 0.000 0.513 449 D N 0.750 121.230 120.400 0.132 0.000 2.443 449 D HA 0.166 4.806 4.640 -0.001 0.000 0.239 449 D C 1.653 177.952 176.300 -0.000 0.000 1.136 449 D CA 1.024 55.063 54.000 0.066 0.000 0.879 449 D CB 1.250 42.114 40.800 0.107 0.000 1.195 449 D HN 0.561 nan 8.370 nan 0.000 0.443 450 G N 3.251 112.060 108.800 0.015 0.000 2.485 450 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.221 450 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.221 450 G C 1.296 176.169 174.900 -0.044 0.000 1.115 450 G CA 0.434 45.529 45.100 -0.009 0.000 0.751 450 G HN 0.496 nan 8.290 nan 0.000 0.567 451 M N 0.948 120.531 119.600 -0.029 0.000 2.460 451 M HA 0.117 4.596 4.480 -0.001 0.000 0.263 451 M C 2.764 178.962 176.300 -0.170 0.000 1.071 451 M CA 0.745 56.051 55.300 0.010 0.000 1.096 451 M CB -0.773 31.939 32.600 0.186 0.000 1.408 451 M HN 0.318 nan 8.290 nan 0.000 0.463 452 A N -0.056 122.422 122.820 -0.570 0.000 2.119 452 A HA -0.044 4.275 4.320 -0.001 0.000 0.217 452 A C 1.234 178.608 177.584 -0.351 0.000 1.153 452 A CA 0.397 51.873 52.037 -0.934 0.000 0.692 452 A CB -0.333 18.093 19.000 -0.957 0.000 0.799 452 A HN 0.579 nan 8.150 nan 0.000 0.458 453 R N -1.690 118.685 120.500 -0.209 0.000 3.525 453 R HA -0.173 4.166 4.340 -0.001 0.000 0.276 453 R C 0.591 176.786 176.300 -0.175 0.000 1.116 453 R CA 0.684 56.707 56.100 -0.130 0.000 0.745 453 R CB -1.992 28.268 30.300 -0.068 0.000 1.185 453 R HN 0.485 nan 8.270 nan 0.000 0.454 454 I N 0.229 120.648 120.570 -0.253 0.000 2.235 454 I HA -0.153 4.016 4.170 -0.001 0.000 0.241 454 I C 2.107 178.100 176.117 -0.207 0.000 1.085 454 I CA 1.487 62.588 61.300 -0.333 0.000 1.378 454 I CB -0.630 37.025 38.000 -0.576 0.000 1.076 454 I HN 0.182 nan 8.210 nan 0.000 0.415 455 E N 0.834 120.950 120.200 -0.140 0.000 2.118 455 E HA -0.239 4.111 4.350 -0.001 0.000 0.195 455 E C 2.098 178.652 176.600 -0.077 0.000 0.992 455 E CA 1.247 57.593 56.400 -0.089 0.000 0.804 455 E CB -0.215 29.457 29.700 -0.047 0.000 0.741 455 E HN 0.458 nan 8.360 nan 0.000 0.458 456 E N 0.282 120.438 120.200 -0.073 0.000 2.051 456 E HA -0.231 4.118 4.350 -0.001 0.000 0.192 456 E C 1.948 178.509 176.600 -0.065 0.000 0.991 456 E CA 0.989 57.356 56.400 -0.055 0.000 0.799 456 E CB 0.104 29.777 29.700 -0.044 0.000 0.748 456 E HN -0.036 nan 8.360 nan 0.000 0.449 457 R N 0.342 120.793 120.500 -0.083 0.000 2.092 457 R HA -0.006 4.334 4.340 -0.001 0.000 0.231 457 R C 2.377 178.626 176.300 -0.085 0.000 1.119 457 R CA 0.845 56.898 56.100 -0.078 0.000 0.970 457 R CB -0.498 29.750 30.300 -0.087 0.000 0.864 457 R HN 0.275 nan 8.270 nan 0.000 0.440 458 L N -0.140 121.021 121.223 -0.104 0.000 2.056 458 L HA -0.131 4.209 4.340 -0.001 0.000 0.207 458 L C 2.369 179.179 176.870 -0.101 0.000 1.078 458 L CA 1.512 56.290 54.840 -0.103 0.000 0.749 458 L CB -0.432 41.559 42.059 -0.114 0.000 0.901 458 L HN 0.302 nan 8.230 nan 0.000 0.433 459 E N 0.169 120.313 120.200 -0.093 0.000 2.077 459 E HA -0.310 4.040 4.350 -0.001 0.000 0.193 459 E C 2.214 178.739 176.600 -0.125 0.000 0.989 459 E CA 1.394 57.730 56.400 -0.106 0.000 0.800 459 E CB -0.020 29.638 29.700 -0.070 0.000 0.746 459 E HN 0.438 nan 8.360 nan 0.000 0.452 460 Q N -0.004 119.742 119.800 -0.090 0.000 2.084 460 Q HA -0.189 4.150 4.340 -0.001 0.000 0.202 460 Q C 2.047 177.992 176.000 -0.091 0.000 0.978 460 Q CA 1.525 57.280 55.803 -0.079 0.000 0.844 460 Q CB -0.200 28.508 28.738 -0.051 0.000 0.898 460 Q HN 0.339 nan 8.270 nan 0.000 0.426 461 A N 1.135 123.902 122.820 -0.088 0.000 1.898 461 A HA -0.150 4.170 4.320 -0.001 0.000 0.216 461 A C 2.103 179.621 177.584 -0.111 0.000 1.181 461 A CA 1.269 53.255 52.037 -0.085 0.000 0.620 461 A CB -0.451 18.507 19.000 -0.071 0.000 0.819 461 A HN 0.367 nan 8.150 nan 0.000 0.442 462 R N -0.688 119.728 120.500 -0.140 0.000 2.096 462 R HA -0.098 4.241 4.340 -0.001 0.000 0.235 462 R C 2.431 178.577 176.300 -0.257 0.000 1.127 462 R CA 1.581 57.575 56.100 -0.177 0.000 0.968 462 R CB -0.280 29.907 30.300 -0.190 0.000 0.861 462 R HN 0.493 nan 8.270 nan 0.000 0.440 463 R N 0.302 120.608 120.500 -0.322 0.000 2.092 463 R HA -0.078 4.262 4.340 -0.001 0.000 0.231 463 R C 2.106 178.325 176.300 -0.136 0.000 1.119 463 R CA 1.000 56.835 56.100 -0.442 0.000 0.970 463 R CB -0.005 30.046 30.300 -0.415 0.000 0.864 463 R HN 0.202 nan 8.270 nan 0.000 0.440 464 E N 0.784 120.944 120.200 -0.067 0.000 2.072 464 E HA -0.162 4.187 4.350 -0.001 0.000 0.190 464 E C 1.994 178.616 176.600 0.037 0.000 0.982 464 E CA 0.726 57.133 56.400 0.012 0.000 0.803 464 E CB -0.238 29.459 29.700 -0.005 0.000 0.755 464 E HN 0.149 nan 8.360 nan 0.000 0.453 465 L N 1.282 122.496 121.223 -0.015 0.000 2.056 465 L HA -0.079 4.261 4.340 -0.001 0.000 0.207 465 L C 2.166 179.072 176.870 0.061 0.000 1.078 465 L CA 1.604 56.454 54.840 0.017 0.000 0.749 465 L CB -0.609 41.426 42.059 -0.041 0.000 0.901 465 L HN -0.100 nan 8.230 nan 0.000 0.433 466 S N -0.425 115.277 115.700 0.004 0.000 2.368 466 S HA -0.176 4.293 4.470 -0.001 0.000 0.225 466 S C 1.843 176.574 174.600 0.217 0.000 1.030 466 S CA 1.549 59.785 58.200 0.060 0.000 0.999 466 S CB -0.578 62.564 63.200 -0.097 0.000 0.844 466 S HN 0.475 nan 8.310 nan 0.000 0.459 467 L N 0.741 122.133 121.223 0.280 0.000 2.042 467 L HA -0.030 4.309 4.340 -0.001 0.000 0.210 467 L C 1.874 178.837 176.870 0.155 0.000 1.076 467 L CA 1.651 56.657 54.840 0.277 0.000 0.749 467 L CB -0.639 41.557 42.059 0.228 0.000 0.893 467 L HN 0.288 nan 8.230 nan 0.000 0.432 468 F N -0.201 119.704 119.950 -0.074 0.000 2.494 468 F HA -0.141 4.385 4.527 -0.001 0.000 0.298 468 F C 2.163 177.872 175.800 -0.152 0.000 1.106 468 F CA 0.911 58.754 58.000 -0.262 0.000 1.452 468 F CB -0.261 38.621 39.000 -0.196 0.000 1.085 468 F HN 0.269 nan 8.300 nan 0.000 0.569 469 Q N -0.479 119.264 119.800 -0.095 0.000 2.436 469 Q HA -0.127 4.212 4.340 -0.001 0.000 0.209 469 Q C 0.539 176.468 176.000 -0.118 0.000 0.965 469 Q CA 0.413 56.140 55.803 -0.127 0.000 0.910 469 Q CB -1.227 27.514 28.738 0.005 0.000 0.980 469 Q HN 0.511 nan 8.270 nan 0.000 0.491 470 H N 1.916 120.867 119.070 -0.198 0.000 3.073 470 H HA -0.113 4.442 4.556 -0.001 0.000 0.340 470 H C 1.267 176.442 175.328 -0.256 0.000 1.054 470 H CA 0.700 56.635 56.048 -0.189 0.000 1.372 470 H CB 0.573 30.243 29.762 -0.153 0.000 1.314 470 H HN 0.229 nan 8.280 nan 0.000 0.603 471 H N 1.965 120.620 119.070 -0.692 0.000 2.562 471 H HA -0.007 4.549 4.556 -0.001 0.000 0.272 471 H C -0.312 174.604 175.328 -0.688 0.000 1.019 471 H CA 0.724 56.337 56.048 -0.725 0.000 1.160 471 H CB 0.246 29.598 29.762 -0.684 0.000 1.334 471 H HN 0.612 nan 8.280 nan 0.000 0.611 472 D N 0.181 119.958 120.400 -1.039 0.000 2.527 472 D HA 0.124 4.763 4.640 -0.001 0.000 0.224 472 D C 1.642 177.938 176.300 -0.006 0.000 1.217 472 D CA 0.295 54.165 54.000 -0.216 0.000 0.819 472 D CB 0.821 41.695 40.800 0.124 0.000 1.061 472 D HN 0.501 nan 8.370 nan 0.000 0.515 473 G N 1.355 109.943 108.800 -0.353 0.000 2.558 473 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.218 473 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.218 473 G C 1.341 175.675 174.900 -0.943 0.000 1.567 473 G CA -0.199 44.453 45.100 -0.747 0.000 0.950 473 G HN 0.206 nan 8.290 nan 0.000 0.517 474 I N 1.972 121.634 120.570 -1.514 0.000 2.530 474 I HA -0.180 3.989 4.170 -0.001 0.000 0.257 474 I C 2.858 178.871 176.117 -0.173 0.000 1.179 474 I CA 2.015 62.729 61.300 -0.977 0.000 1.440 474 I CB -0.082 37.517 38.000 -0.668 0.000 1.087 474 I HN 0.393 nan 8.210 nan 0.000 0.440 475 T N -1.691 112.811 114.554 -0.087 0.000 3.007 475 T HA 0.013 4.362 4.350 -0.001 0.000 0.270 475 T C 1.563 176.414 174.700 0.252 0.000 1.107 475 T CA 0.661 62.903 62.100 0.238 0.000 1.118 475 T CB -0.532 68.469 68.868 0.222 0.000 0.889 475 T HN 0.626 nan 8.240 nan 0.000 0.506 476 G N 1.463 110.370 108.800 0.178 0.000 2.176 476 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.252 476 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.252 476 G C 0.553 175.534 174.900 0.134 0.000 1.024 476 G CA 0.651 45.879 45.100 0.212 0.000 0.755 476 G HN 1.151 nan 8.290 nan 0.000 0.507 477 T N -3.356 111.267 114.554 0.114 0.000 3.215 477 T HA 0.740 5.090 4.350 -0.001 0.000 0.271 477 T C 0.841 175.730 174.700 0.315 0.000 1.012 477 T CA 1.015 63.109 62.100 -0.010 0.000 0.899 477 T CB 0.980 69.665 68.868 -0.304 0.000 1.089 477 T HN 1.566 nan 8.240 nan 0.000 0.552 478 A N 1.263 124.293 122.820 0.349 0.000 2.269 478 A HA 0.706 5.025 4.320 -0.001 0.000 0.327 478 A C 0.159 177.863 177.584 0.201 0.000 1.112 478 A CA -0.977 51.312 52.037 0.419 0.000 0.865 478 A CB 0.952 20.226 19.000 0.457 0.000 1.227 478 A HN 0.387 nan 8.150 nan 0.000 0.498 479 K N -0.172 120.284 120.400 0.094 0.000 2.276 479 K HA 0.174 4.494 4.320 -0.001 0.000 0.259 479 K C 1.092 177.707 176.600 0.026 0.000 1.001 479 K CA 0.293 56.606 56.287 0.043 0.000 0.927 479 K CB 0.367 32.887 32.500 0.033 0.000 0.969 479 K HN 0.739 nan 8.250 nan 0.000 0.490 480 T N 1.347 115.942 114.554 0.068 0.000 2.624 480 T HA -0.219 4.131 4.350 -0.001 0.000 0.268 480 T C 1.692 176.418 174.700 0.044 0.000 1.041 480 T CA 1.941 64.080 62.100 0.066 0.000 1.159 480 T CB -0.461 68.457 68.868 0.084 0.000 0.863 480 T HN 0.703 nan 8.240 nan 0.000 0.434 481 H N 0.665 119.729 119.070 -0.011 0.000 2.491 481 H HA 0.097 4.652 4.556 -0.001 0.000 0.290 481 H C 2.024 177.321 175.328 -0.052 0.000 1.050 481 H CA 0.856 56.889 56.048 -0.025 0.000 1.309 481 H CB -0.781 28.963 29.762 -0.030 0.000 1.392 481 H HN 0.280 nan 8.280 nan 0.000 0.554 482 V N 1.069 120.592 119.914 -0.651 0.000 2.407 482 V HA -0.164 3.956 4.120 -0.001 0.000 0.245 482 V C 3.013 178.881 176.094 -0.376 0.000 1.041 482 V CA 1.089 63.037 62.300 -0.586 0.000 1.040 482 V CB -0.425 31.131 31.823 -0.444 0.000 0.671 482 V HN 0.239 nan 8.190 nan 0.000 0.455 483 V N -0.035 119.804 119.914 -0.126 0.000 2.332 483 V HA -0.236 3.883 4.120 -0.001 0.000 0.248 483 V C 2.454 178.507 176.094 -0.068 0.000 1.055 483 V CA 1.943 64.236 62.300 -0.010 0.000 1.038 483 V CB -0.458 31.333 31.823 -0.053 0.000 0.651 483 V HN 0.412 nan 8.190 nan 0.000 0.450 484 V N 0.370 120.253 119.914 -0.051 0.000 2.343 484 V HA -0.293 3.827 4.120 -0.001 0.000 0.247 484 V C 2.307 178.406 176.094 0.008 0.000 1.051 484 V CA 2.412 64.719 62.300 0.011 0.000 1.036 484 V CB -0.663 31.179 31.823 0.031 0.000 0.654 484 V HN 0.652 nan 8.190 nan 0.000 0.451 485 D N -0.935 119.422 120.400 -0.071 0.000 2.117 485 D HA -0.202 4.438 4.640 -0.001 0.000 0.197 485 D C 2.004 178.314 176.300 0.016 0.000 0.987 485 D CA 1.616 55.576 54.000 -0.065 0.000 0.829 485 D CB -0.255 40.441 40.800 -0.173 0.000 0.961 485 D HN 0.598 nan 8.370 nan 0.000 0.460 486 Y N 0.378 120.700 120.300 0.038 0.000 2.224 486 Y HA -0.125 4.425 4.550 -0.001 0.000 0.289 486 Y C 2.557 178.416 175.900 -0.067 0.000 1.146 486 Y CA 1.051 59.169 58.100 0.029 0.000 1.182 486 Y CB -0.082 38.449 38.460 0.119 0.000 0.983 486 Y HN 0.091 nan 8.280 nan 0.000 0.524 487 E N 0.518 120.806 120.200 0.147 0.000 2.051 487 E HA -0.251 4.098 4.350 -0.001 0.000 0.192 487 E C 1.986 178.653 176.600 0.112 0.000 0.991 487 E CA 1.369 57.870 56.400 0.169 0.000 0.799 487 E CB -0.029 29.848 29.700 0.295 0.000 0.748 487 E HN 0.567 nan 8.360 nan 0.000 0.449 488 Q N -0.052 119.803 119.800 0.093 0.000 2.084 488 Q HA -0.156 4.184 4.340 -0.001 0.000 0.202 488 Q C 2.339 178.369 176.000 0.051 0.000 0.978 488 Q CA 1.214 57.058 55.803 0.068 0.000 0.844 488 Q CB -0.129 28.642 28.738 0.055 0.000 0.898 488 Q HN 0.203 nan 8.270 nan 0.000 0.426 489 R N 0.305 120.840 120.500 0.059 0.000 2.073 489 R HA -0.066 4.274 4.340 -0.001 0.000 0.234 489 R C 2.328 178.634 176.300 0.010 0.000 1.134 489 R CA 1.521 57.648 56.100 0.046 0.000 0.952 489 R CB -0.211 30.141 30.300 0.087 0.000 0.850 489 R HN 0.285 nan 8.270 nan 0.000 0.433 490 M N 0.084 119.675 119.600 -0.015 0.000 2.159 490 M HA -0.191 4.288 4.480 -0.001 0.000 0.263 490 M C 2.355 178.618 176.300 -0.062 0.000 1.063 490 M CA 1.446 56.696 55.300 -0.083 0.000 1.110 490 M CB -0.191 32.294 32.600 -0.190 0.000 1.374 490 M HN 0.065 nan 8.290 nan 0.000 0.411 491 Q N 0.914 120.713 119.800 -0.003 0.000 2.084 491 Q HA -0.180 4.159 4.340 -0.001 0.000 0.202 491 Q C 1.767 177.768 176.000 0.002 0.000 0.978 491 Q CA 1.629 57.444 55.803 0.021 0.000 0.844 491 Q CB -0.051 28.724 28.738 0.062 0.000 0.898 491 Q HN 0.333 nan 8.270 nan 0.000 0.426 492 E N -0.281 119.921 120.200 0.003 0.000 2.106 492 E HA -0.117 4.233 4.350 -0.001 0.000 0.192 492 E C 1.821 178.411 176.600 -0.016 0.000 0.984 492 E CA 1.087 57.486 56.400 -0.001 0.000 0.806 492 E CB -0.420 29.282 29.700 0.004 0.000 0.750 492 E HN 0.472 nan 8.360 nan 0.000 0.458 493 A N 1.131 123.931 122.820 -0.034 0.000 1.902 493 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 493 A C 2.389 179.942 177.584 -0.051 0.000 1.181 493 A CA 1.003 53.010 52.037 -0.050 0.000 0.623 493 A CB -0.676 18.282 19.000 -0.071 0.000 0.818 493 A HN 0.179 nan 8.150 nan 0.000 0.443 494 L N -0.596 120.578 121.223 -0.082 0.000 2.017 494 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 494 L C 2.608 179.495 176.870 0.029 0.000 1.073 494 L CA 1.743 56.524 54.840 -0.098 0.000 0.745 494 L CB -0.452 41.480 42.059 -0.213 0.000 0.894 494 L HN 0.353 nan 8.230 nan 0.000 0.432 495 K N -0.029 120.383 120.400 0.019 0.000 2.097 495 K HA -0.168 4.151 4.320 -0.001 0.000 0.206 495 K C 2.222 178.839 176.600 0.029 0.000 1.049 495 K CA 1.377 57.684 56.287 0.035 0.000 0.933 495 K CB -0.272 32.238 32.500 0.018 0.000 0.717 495 K HN 0.303 nan 8.250 nan 0.000 0.442 496 A N 1.266 124.092 122.820 0.009 0.000 1.877 496 A HA -0.195 4.124 4.320 -0.001 0.000 0.216 496 A C 2.498 180.082 177.584 0.000 0.000 1.186 496 A CA 1.574 53.606 52.037 -0.008 0.000 0.620 496 A CB -1.031 17.952 19.000 -0.028 0.000 0.822 496 A HN 0.407 nan 8.150 nan 0.000 0.443 497 C N -1.039 118.280 119.300 0.030 0.000 2.413 497 C HA -0.149 4.311 4.460 -0.001 0.000 0.276 497 C C 2.872 177.904 174.990 0.070 0.000 1.236 497 C CA 1.331 60.381 59.018 0.054 0.000 1.735 497 C CB -1.341 26.489 27.740 0.149 0.000 2.031 497 C HN 0.789 nan 8.230 nan 0.000 0.474 498 Q N 0.166 120.039 119.800 0.122 0.000 2.030 498 Q HA -0.294 4.046 4.340 -0.001 0.000 0.204 498 Q C 2.187 178.247 176.000 0.100 0.000 0.986 498 Q CA 2.205 58.078 55.803 0.117 0.000 0.843 498 Q CB -0.293 28.521 28.738 0.127 0.000 0.904 498 Q HN 0.592 nan 8.270 nan 0.000 0.420 499 M N -0.125 119.509 119.600 0.057 0.000 2.082 499 M HA -0.159 4.321 4.480 -0.001 0.000 0.258 499 M C 1.869 178.181 176.300 0.020 0.000 1.069 499 M CA 1.643 56.967 55.300 0.040 0.000 1.102 499 M CB -0.538 32.066 32.600 0.008 0.000 1.336 499 M HN 0.148 nan 8.290 nan 0.000 0.404 500 V N 0.173 120.063 119.914 -0.040 0.000 2.295 500 V HA -0.305 3.815 4.120 -0.001 0.000 0.246 500 V C 2.436 178.483 176.094 -0.079 0.000 1.049 500 V CA 2.237 64.456 62.300 -0.136 0.000 1.024 500 V CB -0.688 31.030 31.823 -0.175 0.000 0.648 500 V HN 0.569 nan 8.190 nan 0.000 0.447 501 M N 0.214 119.818 119.600 0.008 0.000 2.086 501 M HA -0.266 4.213 4.480 -0.001 0.000 0.261 501 M C 2.403 178.748 176.300 0.075 0.000 1.067 501 M CA 2.456 57.796 55.300 0.066 0.000 1.116 501 M CB -0.514 32.202 32.600 0.194 0.000 1.348 501 M HN 0.542 nan 8.290 nan 0.000 0.407 502 Q N -0.157 119.768 119.800 0.208 0.000 2.119 502 Q HA -0.156 4.183 4.340 -0.001 0.000 0.201 502 Q C 1.830 177.990 176.000 0.267 0.000 0.972 502 Q CA 1.244 57.181 55.803 0.223 0.000 0.847 502 Q CB -0.612 28.363 28.738 0.395 0.000 0.903 502 Q HN 0.417 nan 8.270 nan 0.000 0.433 503 Q N 0.526 120.478 119.800 0.253 0.000 2.084 503 Q HA -0.056 4.283 4.340 -0.001 0.000 0.202 503 Q C 2.304 178.544 176.000 0.401 0.000 0.978 503 Q CA 1.672 57.704 55.803 0.381 0.000 0.844 503 Q CB -0.229 28.649 28.738 0.233 0.000 0.898 503 Q HN 0.512 nan 8.270 nan 0.000 0.426 504 S N 0.340 116.160 115.700 0.200 0.000 2.356 504 S HA -0.096 4.373 4.470 -0.001 0.000 0.223 504 S C 2.194 176.833 174.600 0.065 0.000 1.032 504 S CA 1.108 59.468 58.200 0.265 0.000 1.005 504 S CB -0.218 63.060 63.200 0.129 0.000 0.867 504 S HN 0.136 nan 8.310 nan 0.000 0.449 505 V N 0.721 120.545 119.914 -0.151 0.000 2.343 505 V HA -0.186 3.934 4.120 -0.001 0.000 0.247 505 V C 1.987 178.048 176.094 -0.054 0.000 1.051 505 V CA 1.813 63.898 62.300 -0.358 0.000 1.036 505 V CB -0.766 30.433 31.823 -1.039 0.000 0.654 505 V HN 0.521 nan 8.190 nan 0.000 0.451 506 Y N 1.252 121.581 120.300 0.049 0.000 2.128 506 Y HA -0.274 4.276 4.550 -0.001 0.000 0.284 506 Y C 2.768 178.729 175.900 0.102 0.000 1.154 506 Y CA 2.292 60.518 58.100 0.210 0.000 1.149 506 Y CB -0.358 38.160 38.460 0.096 0.000 0.976 506 Y HN 0.096 nan 8.280 nan 0.000 0.505 507 R N -0.229 120.189 120.500 -0.138 0.000 2.092 507 R HA -0.112 4.228 4.340 -0.001 0.000 0.231 507 R C 2.216 178.208 176.300 -0.514 0.000 1.119 507 R CA 1.544 57.197 56.100 -0.745 0.000 0.970 507 R CB -0.381 29.465 30.300 -0.756 0.000 0.864 507 R HN 0.441 nan 8.270 nan 0.000 0.440 508 L N 0.279 121.345 121.223 -0.263 0.000 2.141 508 L HA -0.087 4.252 4.340 -0.001 0.000 0.209 508 L C 1.455 178.206 176.870 -0.199 0.000 1.094 508 L CA 0.867 55.521 54.840 -0.311 0.000 0.763 508 L CB 0.066 41.782 42.059 -0.571 0.000 0.908 508 L HN 0.237 nan 8.230 nan 0.000 0.437 509 L N -1.116 120.082 121.223 -0.042 0.000 2.965 509 L HA 0.212 4.551 4.340 -0.001 0.000 0.254 509 L C -0.235 176.675 176.870 0.066 0.000 1.220 509 L CA -0.119 54.774 54.840 0.088 0.000 1.023 509 L CB 0.300 42.565 42.059 0.342 0.000 1.355 509 L HN 0.006 nan 8.230 nan 0.000 0.545 510 T N 0.056 114.570 114.554 -0.068 0.000 2.824 510 T HA 0.174 4.523 4.350 -0.001 0.000 0.282 510 T C -0.118 174.498 174.700 -0.140 0.000 0.993 510 T CA -0.588 61.453 62.100 -0.099 0.000 0.967 510 T CB 2.348 71.095 68.868 -0.201 0.000 0.960 510 T HN 0.026 nan 8.240 nan 0.000 0.441 511 K N 4.037 124.369 120.400 -0.113 0.000 2.511 511 K HA -0.044 4.275 4.320 -0.001 0.000 0.277 511 K C -1.711 174.857 176.600 -0.054 0.000 1.025 511 K CA -0.973 55.264 56.287 -0.083 0.000 1.112 511 K CB 0.421 32.879 32.500 -0.071 0.000 0.859 511 K HN 0.188 nan 8.250 nan 0.000 0.485 512 P HA -0.234 nan 4.420 nan 0.000 0.216 512 P C 0.834 178.152 177.300 0.030 0.000 1.157 512 P CA 1.705 64.786 63.100 -0.032 0.000 0.880 512 P CB 0.126 31.802 31.700 -0.041 0.000 0.791 513 S N -2.324 113.382 115.700 0.010 0.000 2.603 513 S HA 0.038 4.508 4.470 -0.001 0.000 0.229 513 S C 1.643 176.256 174.600 0.021 0.000 0.972 513 S CA 0.565 58.774 58.200 0.015 0.000 0.935 513 S CB -1.118 62.083 63.200 0.001 0.000 0.769 513 S HN 0.115 nan 8.310 nan 0.000 0.536 514 I N -0.972 119.619 120.570 0.034 0.000 3.616 514 I HA 0.216 4.385 4.170 -0.001 0.000 0.296 514 I C 0.470 176.632 176.117 0.074 0.000 1.226 514 I CA -0.433 60.892 61.300 0.040 0.000 1.394 514 I CB -0.002 38.015 38.000 0.028 0.000 1.171 514 I HN 0.245 nan 8.210 nan 0.000 0.442 515 Y N 3.002 123.254 120.300 -0.081 0.000 2.852 515 Y HA -0.055 4.495 4.550 -0.001 0.000 0.343 515 Y C 0.442 176.321 175.900 -0.035 0.000 1.280 515 Y CA 0.032 58.059 58.100 -0.122 0.000 1.604 515 Y CB 0.296 38.634 38.460 -0.202 0.000 1.216 515 Y HN -0.108 nan 8.280 nan 0.000 0.541 516 S N 9.021 124.511 115.700 -0.349 0.000 2.279 516 S HA 0.369 4.839 4.470 -0.001 0.000 0.176 516 S C -2.801 171.588 174.600 -0.352 0.000 1.554 516 S CA -1.238 56.762 58.200 -0.333 0.000 1.242 516 S CB -0.044 63.084 63.200 -0.120 0.000 1.163 516 S HN 0.671 nan 8.310 nan 0.000 0.449 517 P HA 0.326 nan 4.420 nan 0.000 0.279 517 P C -1.205 175.830 177.300 -0.442 0.000 1.239 517 P CA -0.177 62.668 63.100 -0.425 0.000 0.789 517 P CB 0.913 32.315 31.700 -0.496 0.000 0.933 518 D N 2.578 122.914 120.400 -0.106 0.000 2.441 518 D HA 0.143 4.783 4.640 -0.001 0.000 0.231 518 D C 0.366 176.689 176.300 0.039 0.000 1.073 518 D CA -0.715 53.211 54.000 -0.123 0.000 0.850 518 D CB 0.175 40.943 40.800 -0.053 0.000 1.062 518 D HN 0.037 nan 8.370 nan 0.000 0.524 519 F N 1.649 121.712 119.950 0.187 0.000 2.583 519 F HA -0.079 4.447 4.527 -0.001 0.000 0.297 519 F C 2.380 178.252 175.800 0.120 0.000 1.131 519 F CA 0.661 58.769 58.000 0.181 0.000 1.467 519 F CB -0.483 38.605 39.000 0.146 0.000 1.097 519 F HN 0.361 nan 8.300 nan 0.000 0.586 520 S N -2.096 113.739 115.700 0.225 0.000 2.539 520 S HA 0.146 4.615 4.470 -0.001 0.000 0.221 520 S C 0.266 174.904 174.600 0.063 0.000 0.987 520 S CA -0.452 57.825 58.200 0.128 0.000 0.929 520 S CB -0.617 62.640 63.200 0.096 0.000 0.832 520 S HN 0.072 nan 8.310 nan 0.000 0.492 521 F N 2.763 122.644 119.950 -0.115 0.000 2.371 521 F HA 0.615 5.142 4.527 -0.001 0.000 0.329 521 F C 0.041 175.610 175.800 -0.385 0.000 1.107 521 F CA -0.670 57.131 58.000 -0.331 0.000 1.137 521 F CB 1.619 40.270 39.000 -0.582 0.000 1.214 521 F HN -0.043 nan 8.300 nan 0.000 0.536 522 S N 5.369 120.220 115.700 -1.416 0.000 2.466 522 S HA 0.181 4.651 4.470 -0.001 0.000 0.313 522 S C 0.338 174.303 174.600 -1.058 0.000 1.078 522 S CA -0.341 57.328 58.200 -0.886 0.000 1.115 522 S CB -0.172 62.654 63.200 -0.623 0.000 1.006 522 S HN 0.662 nan 8.310 nan 0.000 0.487 523 Y N 1.661 121.702 120.300 -0.432 0.000 2.314 523 Y HA 0.139 4.688 4.550 -0.001 0.000 0.293 523 Y C 0.327 175.665 175.900 -0.938 0.000 1.129 523 Y CA 0.788 58.509 58.100 -0.631 0.000 1.201 523 Y CB 0.176 38.301 38.460 -0.557 0.000 0.999 523 Y HN 0.489 nan 8.280 nan 0.000 0.541 524 F N -1.395 118.482 119.950 -0.123 0.000 2.599 524 F HA 0.448 4.975 4.527 -0.001 0.000 0.311 524 F C -0.114 175.706 175.800 0.032 0.000 1.076 524 F CA -1.517 56.484 58.000 0.000 0.000 0.937 524 F CB 1.661 40.802 39.000 0.235 0.000 1.282 524 F HN -0.409 nan 8.300 nan 0.000 0.460 525 T N 0.373 115.083 114.554 0.259 0.000 2.856 525 T HA 0.666 5.016 4.350 -0.001 0.000 0.283 525 T C -0.972 173.834 174.700 0.177 0.000 1.008 525 T CA -0.782 61.408 62.100 0.151 0.000 0.997 525 T CB 1.466 70.370 68.868 0.059 0.000 0.992 525 T HN 0.382 nan 8.240 nan 0.000 0.454 526 L N 2.448 123.706 121.223 0.059 0.000 2.397 526 L HA 0.514 4.853 4.340 -0.001 0.000 0.271 526 L C 0.004 176.849 176.870 -0.042 0.000 1.148 526 L CA 0.186 54.951 54.840 -0.126 0.000 0.825 526 L CB 0.732 42.687 42.059 -0.173 0.000 1.117 526 L HN 0.940 nan 8.230 nan 0.000 0.456 527 D N 2.112 122.464 120.400 -0.080 0.000 2.481 527 D HA 0.246 4.885 4.640 -0.001 0.000 0.246 527 D C -1.352 174.860 176.300 -0.146 0.000 1.109 527 D CA -0.342 53.613 54.000 -0.075 0.000 0.845 527 D CB 0.854 41.636 40.800 -0.031 0.000 1.160 527 D HN 0.377 nan 8.370 nan 0.000 0.534 528 D N 2.515 122.860 120.400 -0.090 0.000 2.481 528 D HA 0.184 4.824 4.640 -0.001 0.000 0.246 528 D C 0.183 176.428 176.300 -0.092 0.000 1.109 528 D CA -0.433 53.540 54.000 -0.045 0.000 0.845 528 D CB 1.838 42.719 40.800 0.136 0.000 1.160 528 D HN 0.267 nan 8.370 nan 0.000 0.534 529 S N 2.742 118.358 115.700 -0.139 0.000 2.481 529 S HA -0.004 4.466 4.470 -0.001 0.000 0.231 529 S C 1.430 175.992 174.600 -0.065 0.000 0.996 529 S CA 0.615 58.727 58.200 -0.147 0.000 0.942 529 S CB 0.355 63.460 63.200 -0.160 0.000 0.768 529 S HN 0.501 nan 8.310 nan 0.000 0.520 530 R N -0.675 119.821 120.500 -0.006 0.000 2.476 530 R HA 0.218 4.557 4.340 -0.001 0.000 0.276 530 R C -0.536 175.840 176.300 0.127 0.000 0.941 530 R CA -0.087 56.035 56.100 0.038 0.000 1.088 530 R CB 0.694 31.015 30.300 0.036 0.000 1.216 530 R HN 0.339 nan 8.270 nan 0.000 0.533 531 W N 1.184 122.440 121.300 -0.074 0.000 3.211 531 W HA 0.283 4.943 4.660 -0.001 0.000 0.335 531 W C -2.915 173.561 176.519 -0.071 0.000 1.113 531 W CA -2.047 55.242 57.345 -0.095 0.000 1.235 531 W CB 1.761 31.145 29.460 -0.127 0.000 1.365 531 W HN -0.189 nan 8.180 nan 0.000 0.476 532 P HA 0.075 nan 4.420 nan 0.000 0.225 532 P C 0.366 177.289 177.300 -0.628 0.000 1.148 532 P CA 1.841 64.113 63.100 -1.380 0.000 0.779 532 P CB 0.244 31.392 31.700 -0.920 0.000 0.780 533 G N -0.979 107.638 108.800 -0.305 0.000 2.650 533 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.686 533 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.686 533 G C -0.391 174.451 174.900 -0.098 0.000 1.205 533 G CA -0.482 44.531 45.100 -0.145 0.000 0.781 533 G HN 0.106 nan 8.290 nan 0.000 0.648 534 S N 0.343 116.028 115.700 -0.026 0.000 2.525 534 S HA 0.525 4.995 4.470 -0.001 0.000 0.285 534 S C 1.829 176.437 174.600 0.013 0.000 1.283 534 S CA 1.956 60.174 58.200 0.030 0.000 1.072 534 S CB 0.206 63.462 63.200 0.094 0.000 0.867 534 S HN 2.714 nan 8.310 nan 0.000 0.492 535 G N 2.861 111.671 108.800 0.015 0.000 2.195 535 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.246 535 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.246 535 G C 0.593 175.478 174.900 -0.026 0.000 0.984 535 G CA 0.290 45.396 45.100 0.009 0.000 0.633 535 G HN 0.939 nan 8.290 nan 0.000 0.525 536 V N -0.236 119.638 119.914 -0.066 0.000 2.788 536 V HA 0.463 4.582 4.120 -0.001 0.000 0.241 536 V C 0.711 176.741 176.094 -0.108 0.000 1.083 536 V CA 1.817 64.056 62.300 -0.102 0.000 1.103 536 V CB 0.916 32.634 31.823 -0.174 0.000 0.800 536 V HN 0.601 nan 8.190 nan 0.000 0.476 537 E N 0.063 120.198 120.200 -0.109 0.000 2.397 537 E HA 0.123 4.473 4.350 -0.001 0.000 0.293 537 E C -1.785 174.784 176.600 -0.052 0.000 0.930 537 E CA -0.497 55.850 56.400 -0.089 0.000 0.793 537 E CB 1.613 31.232 29.700 -0.136 0.000 1.259 537 E HN 0.122 nan 8.360 nan 0.000 0.406 538 D N 3.145 123.536 120.400 -0.014 0.000 2.508 538 D HA 0.077 4.716 4.640 -0.001 0.000 0.224 538 D C 0.417 176.724 176.300 0.012 0.000 1.171 538 D CA 0.319 54.332 54.000 0.022 0.000 1.006 538 D CB 0.503 41.324 40.800 0.034 0.000 1.073 538 D HN 0.416 nan 8.370 nan 0.000 0.513 539 S N 2.303 117.999 115.700 -0.006 0.000 2.526 539 S HA 0.175 4.645 4.470 -0.001 0.000 0.220 539 S C 0.891 175.490 174.600 -0.002 0.000 1.017 539 S CA -0.453 57.740 58.200 -0.011 0.000 0.930 539 S CB 0.567 63.743 63.200 -0.039 0.000 0.856 539 S HN 0.218 nan 8.310 nan 0.000 0.497 540 R N 2.685 123.180 120.500 -0.008 0.000 2.490 540 R HA 0.374 4.713 4.340 -0.001 0.000 0.280 540 R C 0.201 176.530 176.300 0.048 0.000 1.077 540 R CA 0.314 56.388 56.100 -0.044 0.000 1.065 540 R CB 0.627 30.777 30.300 -0.250 0.000 1.003 540 R HN 0.464 nan 8.270 nan 0.000 0.470 541 T N -0.752 113.834 114.554 0.053 0.000 2.882 541 T HA 0.202 4.551 4.350 -0.001 0.000 0.287 541 T C 0.219 175.021 174.700 0.170 0.000 0.992 541 T CA -0.700 61.461 62.100 0.101 0.000 1.076 541 T CB 1.475 70.391 68.868 0.080 0.000 0.961 541 T HN 0.352 nan 8.240 nan 0.000 0.490 542 T N 4.003 118.671 114.554 0.191 0.000 2.817 542 T HA 0.382 4.731 4.350 -0.001 0.000 0.293 542 T C 0.473 175.286 174.700 0.188 0.000 0.964 542 T CA -0.490 61.750 62.100 0.234 0.000 1.085 542 T CB 0.163 69.135 68.868 0.173 0.000 0.921 542 T HN 0.585 nan 8.240 nan 0.000 0.502 543 I N 4.244 124.945 120.570 0.218 0.000 2.421 543 I HA 0.185 4.354 4.170 -0.001 0.000 0.291 543 I C 0.224 176.435 176.117 0.156 0.000 1.089 543 I CA 0.000 61.408 61.300 0.180 0.000 1.354 543 I CB 0.201 38.312 38.000 0.186 0.000 1.413 543 I HN 0.448 nan 8.210 nan 0.000 0.513 544 I N 8.135 128.780 120.570 0.126 0.000 2.297 544 I HA 0.304 4.474 4.170 -0.001 0.000 0.291 544 I C -0.127 176.055 176.117 0.108 0.000 1.033 544 I CA -0.181 61.184 61.300 0.110 0.000 1.253 544 I CB 0.439 38.491 38.000 0.086 0.000 1.396 544 I HN 0.396 nan 8.210 nan 0.000 0.476 545 L N 5.714 127.005 121.223 0.113 0.000 2.319 545 L HA 0.954 5.294 4.340 -0.001 0.000 0.267 545 L C 0.144 177.074 176.870 0.100 0.000 1.011 545 L CA -0.714 54.191 54.840 0.109 0.000 0.818 545 L CB 2.202 44.332 42.059 0.118 0.000 1.316 545 L HN 0.683 nan 8.230 nan 0.000 0.432 546 G N -0.113 108.742 108.800 0.091 0.000 2.498 546 G HA2 0.097 4.057 3.960 -0.001 0.000 0.301 546 G HA3 0.097 4.057 3.960 -0.001 0.000 0.301 546 G C -0.204 174.739 174.900 0.072 0.000 1.577 546 G CA -0.470 44.680 45.100 0.083 0.000 0.868 546 G HN 0.692 nan 8.290 nan 0.000 0.599 547 E N 0.021 120.261 120.200 0.066 0.000 2.130 547 E HA -0.161 4.189 4.350 -0.001 0.000 0.196 547 E C 0.720 177.349 176.600 0.048 0.000 0.998 547 E CA 1.472 57.904 56.400 0.054 0.000 0.806 547 E CB 0.157 29.885 29.700 0.046 0.000 0.738 547 E HN 0.452 nan 8.360 nan 0.000 0.459 548 D N -0.494 119.934 120.400 0.047 0.000 2.358 548 D HA 0.087 4.726 4.640 -0.001 0.000 0.224 548 D C 1.080 177.406 176.300 0.044 0.000 1.123 548 D CA 0.153 54.177 54.000 0.041 0.000 0.833 548 D CB 0.847 41.669 40.800 0.037 0.000 0.946 548 D HN 0.300 nan 8.370 nan 0.000 0.505 549 I N -1.203 119.399 120.570 0.052 0.000 4.420 549 I HA 0.168 4.338 4.170 -0.001 0.000 0.292 549 I C -1.447 174.708 176.117 0.064 0.000 1.153 549 I CA 0.038 61.371 61.300 0.055 0.000 1.315 549 I CB 1.248 39.282 38.000 0.056 0.000 1.616 549 I HN -0.158 nan 8.210 nan 0.000 0.450 550 L N 1.889 123.155 121.223 0.073 0.000 2.751 550 L HA 0.518 4.857 4.340 -0.001 0.000 0.261 550 L C -2.533 174.390 176.870 0.090 0.000 0.927 550 L CA -0.850 54.041 54.840 0.086 0.000 0.968 550 L CB 1.848 43.966 42.059 0.098 0.000 1.432 550 L HN -0.107 nan 8.230 nan 0.000 0.439 551 P HA 0.087 nan 4.420 nan 0.000 0.227 551 P C -0.194 177.162 177.300 0.094 0.000 1.161 551 P CA 0.736 63.887 63.100 0.084 0.000 0.788 551 P CB 0.490 32.232 31.700 0.070 0.000 0.822 552 S N -1.903 113.864 115.700 0.112 0.000 2.625 552 S HA 0.727 5.196 4.470 -0.001 0.000 0.271 552 S C -1.277 173.427 174.600 0.173 0.000 1.161 552 S CA -0.712 57.561 58.200 0.121 0.000 0.820 552 S CB 2.474 65.736 63.200 0.104 0.000 1.137 552 S HN -0.085 nan 8.310 nan 0.000 0.470 553 K N 0.415 120.923 120.400 0.181 0.000 2.535 553 K HA 0.578 4.898 4.320 -0.001 0.000 0.251 553 K C -2.074 174.701 176.600 0.293 0.000 0.942 553 K CA -0.228 56.216 56.287 0.262 0.000 0.798 553 K CB 1.013 33.632 32.500 0.197 0.000 1.267 553 K HN 0.838 nan 8.250 nan 0.000 0.434 554 H N 0.822 120.048 119.070 0.258 0.000 2.525 554 H HA 0.514 5.069 4.556 -0.001 0.000 0.339 554 H C -0.325 175.242 175.328 0.398 0.000 1.109 554 H CA -0.099 56.145 56.048 0.326 0.000 1.352 554 H CB 1.179 31.221 29.762 0.467 0.000 1.461 554 H HN 0.411 nan 8.280 nan 0.000 0.533 555 V N 0.875 121.057 119.914 0.447 0.000 2.962 555 V HA 0.777 4.897 4.120 -0.001 0.000 0.313 555 V C -0.742 175.689 176.094 0.562 0.000 1.099 555 V CA -0.879 61.675 62.300 0.423 0.000 0.971 555 V CB 2.053 33.868 31.823 -0.014 0.000 1.028 555 V HN 0.466 nan 8.190 nan 0.000 0.430 556 V N 3.628 123.897 119.914 0.593 0.000 2.760 556 V HA 0.643 4.762 4.120 -0.001 0.000 0.309 556 V C -0.533 175.911 176.094 0.583 0.000 1.077 556 V CA -0.370 62.238 62.300 0.515 0.000 0.910 556 V CB 1.946 33.922 31.823 0.256 0.000 1.008 556 V HN 0.941 nan 8.190 nan 0.000 0.424 557 M N 4.089 124.000 119.600 0.519 0.000 2.404 557 M HA 0.504 4.983 4.480 -0.001 0.000 0.338 557 M C -0.539 176.020 176.300 0.432 0.000 1.150 557 M CA -0.272 55.304 55.300 0.461 0.000 1.016 557 M CB 1.258 34.078 32.600 0.366 0.000 1.672 557 M HN 0.774 nan 8.290 nan 0.000 0.448 558 H N 1.897 121.167 119.070 0.332 0.000 2.524 558 H HA 0.510 5.065 4.556 -0.001 0.000 0.353 558 H C -1.425 174.014 175.328 0.185 0.000 1.136 558 H CA -0.626 55.581 56.048 0.265 0.000 1.193 558 H CB 1.281 31.255 29.762 0.353 0.000 1.558 558 H HN 0.666 nan 8.280 nan 0.000 0.515 559 N N 3.043 121.504 118.700 -0.399 0.000 2.569 559 N HA 0.045 4.784 4.740 -0.001 0.000 0.254 559 N C 0.270 175.450 175.510 -0.551 0.000 1.004 559 N CA -0.316 52.513 53.050 -0.369 0.000 0.904 559 N CB 1.630 40.009 38.487 -0.180 0.000 1.165 559 N HN 0.631 nan 8.380 nan 0.000 0.513 560 T N 2.937 117.205 114.554 -0.478 0.000 3.035 560 T HA 0.154 4.504 4.350 -0.001 0.000 0.268 560 T C 0.683 175.357 174.700 -0.044 0.000 1.109 560 T CA 0.454 62.455 62.100 -0.166 0.000 1.119 560 T CB -0.255 68.669 68.868 0.093 0.000 0.900 560 T HN 0.422 nan 8.240 nan 0.000 0.503 561 L N 2.905 124.049 121.223 -0.132 0.000 2.397 561 L HA 0.289 4.629 4.340 -0.001 0.000 0.271 561 L C -1.632 175.120 176.870 -0.196 0.000 1.148 561 L CA -1.812 52.922 54.840 -0.176 0.000 0.825 561 L CB 0.619 42.448 42.059 -0.384 0.000 1.117 561 L HN -0.024 nan 8.230 nan 0.000 0.456 562 P HA 0.060 nan 4.420 nan 0.000 0.235 562 P C -0.977 176.361 177.300 0.063 0.000 1.725 562 P CA 0.309 63.417 63.100 0.013 0.000 0.894 562 P CB -0.362 31.397 31.700 0.099 0.000 1.704 563 H N -3.147 115.936 119.070 0.020 0.000 3.046 563 H HA 0.212 4.767 4.556 -0.001 0.000 0.361 563 H C -1.092 174.254 175.328 0.029 0.000 1.235 563 H CA -1.026 55.052 56.048 0.049 0.000 1.146 563 H CB -0.129 29.695 29.762 0.102 0.000 1.859 563 H HN -0.121 nan 8.280 nan 0.000 0.548 564 W N 1.877 123.289 121.300 0.186 0.000 2.314 564 W HA 0.186 4.846 4.660 -0.001 0.000 0.339 564 W C 0.934 177.553 176.519 0.166 0.000 1.293 564 W CA 0.559 57.977 57.345 0.123 0.000 1.288 564 W CB 0.432 29.956 29.460 0.107 0.000 1.186 564 W HN 0.556 nan 8.180 nan 0.000 0.566 565 R N 2.397 123.091 120.500 0.323 0.000 2.604 565 R HA 0.317 4.657 4.340 -0.001 0.000 0.281 565 R C -1.128 175.301 176.300 0.214 0.000 1.020 565 R CA -0.655 55.589 56.100 0.240 0.000 0.899 565 R CB 1.428 31.781 30.300 0.088 0.000 1.205 565 R HN 0.498 nan 8.270 nan 0.000 0.450 566 E N 2.478 122.784 120.200 0.177 0.000 2.195 566 E HA 0.267 4.617 4.350 -0.001 0.000 0.271 566 E C -1.330 175.318 176.600 0.080 0.000 0.923 566 E CA -0.818 55.665 56.400 0.139 0.000 0.790 566 E CB 2.448 32.225 29.700 0.129 0.000 1.155 566 E HN 0.423 nan 8.360 nan 0.000 0.402 567 Q N 2.991 122.816 119.800 0.041 0.000 2.386 567 Q HA 0.256 4.596 4.340 -0.001 0.000 0.274 567 Q C -1.567 174.392 176.000 -0.067 0.000 1.011 567 Q CA -0.586 55.212 55.803 -0.009 0.000 0.867 567 Q CB 1.460 30.183 28.738 -0.025 0.000 1.409 567 Q HN 0.551 nan 8.270 nan 0.000 0.395 568 L N 3.102 124.279 121.223 -0.076 0.000 2.426 568 L HA 0.410 4.749 4.340 -0.001 0.000 0.271 568 L C 0.168 176.903 176.870 -0.225 0.000 1.169 568 L CA -0.406 54.352 54.840 -0.137 0.000 0.836 568 L CB 0.759 42.776 42.059 -0.072 0.000 1.112 568 L HN 0.487 nan 8.230 nan 0.000 0.465 569 V N -0.703 118.972 119.914 -0.398 0.000 2.823 569 V HA 0.694 4.814 4.120 -0.001 0.000 0.312 569 V C -0.969 174.858 176.094 -0.446 0.000 1.072 569 V CA -0.860 61.167 62.300 -0.454 0.000 0.937 569 V CB 2.134 33.645 31.823 -0.519 0.000 1.013 569 V HN 0.793 nan 8.190 nan 0.000 0.430 570 D N 1.610 121.743 120.400 -0.445 0.000 2.527 570 D HA 0.672 5.312 4.640 -0.001 0.000 0.233 570 D C -1.352 174.646 176.300 -0.503 0.000 1.063 570 D CA -0.445 53.406 54.000 -0.248 0.000 0.880 570 D CB 2.480 43.228 40.800 -0.086 0.000 1.457 570 D HN 0.447 nan 8.370 nan 0.000 0.475 571 F N -0.393 119.609 119.950 0.087 0.000 2.613 571 F HA 0.339 4.865 4.527 -0.001 0.000 0.310 571 F C -0.687 175.263 175.800 0.250 0.000 1.085 571 F CA -1.032 57.028 58.000 0.101 0.000 0.945 571 F CB 1.540 40.645 39.000 0.176 0.000 1.298 571 F HN 0.146 nan 8.300 nan 0.000 0.455 572 Y N 2.040 122.499 120.300 0.265 0.000 2.304 572 Y HA 0.588 5.137 4.550 -0.001 0.000 0.328 572 Y C 0.173 176.199 175.900 0.210 0.000 1.123 572 Y CA -1.513 56.693 58.100 0.177 0.000 1.218 572 Y CB 1.053 39.571 38.460 0.096 0.000 1.207 572 Y HN 0.353 nan 8.280 nan 0.000 0.495 573 V N -0.421 119.701 119.914 0.348 0.000 2.962 573 V HA 0.559 4.678 4.120 -0.001 0.000 0.313 573 V C 0.342 176.581 176.094 0.242 0.000 1.099 573 V CA -0.804 61.659 62.300 0.273 0.000 0.971 573 V CB 1.703 33.681 31.823 0.258 0.000 1.028 573 V HN 0.678 nan 8.190 nan 0.000 0.430 574 S N 0.261 116.081 115.700 0.200 0.000 2.650 574 S HA 0.285 4.755 4.470 -0.001 0.000 0.219 574 S C 0.617 175.362 174.600 0.241 0.000 0.960 574 S CA 0.440 58.748 58.200 0.181 0.000 0.925 574 S CB -0.427 62.848 63.200 0.125 0.000 0.775 574 S HN 1.666 nan 8.310 nan 0.000 0.525 575 S N 1.121 116.963 115.700 0.237 0.000 2.537 575 S HA 0.522 4.991 4.470 -0.001 0.000 0.270 575 S C -2.710 171.803 174.600 -0.145 0.000 1.142 575 S CA -1.129 57.094 58.200 0.037 0.000 0.870 575 S CB 1.930 65.162 63.200 0.053 0.000 1.112 575 S HN 0.008 nan 8.310 nan 0.000 0.466 576 P HA 0.178 nan 4.420 nan 0.000 0.240 576 P C 0.021 177.197 177.300 -0.207 0.000 1.190 576 P CA 0.314 63.078 63.100 -0.561 0.000 0.781 576 P CB -0.186 30.889 31.700 -1.041 0.000 0.931 577 F N 0.990 120.950 119.950 0.018 0.000 2.541 577 F HA 0.264 4.791 4.527 -0.001 0.000 0.351 577 F C 0.342 176.188 175.800 0.076 0.000 1.209 577 F CA -0.782 57.259 58.000 0.068 0.000 1.277 577 F CB 0.359 39.363 39.000 0.006 0.000 1.632 577 F HN -0.332 nan 8.300 nan 0.000 0.619 578 V N 1.188 121.245 119.914 0.237 0.000 2.709 578 V HA 0.511 4.630 4.120 -0.001 0.000 0.308 578 V C -0.398 175.767 176.094 0.119 0.000 1.062 578 V CA -0.810 61.584 62.300 0.158 0.000 0.901 578 V CB 2.318 34.226 31.823 0.141 0.000 1.003 578 V HN 0.520 nan 8.190 nan 0.000 0.425 579 S N 2.962 118.712 115.700 0.083 0.000 2.600 579 S HA 0.910 5.380 4.470 -0.001 0.000 0.300 579 S C -0.926 173.662 174.600 -0.021 0.000 1.087 579 S CA -0.831 57.398 58.200 0.049 0.000 0.965 579 S CB 2.141 65.387 63.200 0.076 0.000 1.089 579 S HN 0.455 nan 8.310 nan 0.000 0.496 580 V N 1.642 121.506 119.914 -0.085 0.000 2.628 580 V HA 0.851 4.970 4.120 -0.001 0.000 0.306 580 V C -0.002 176.001 176.094 -0.152 0.000 1.045 580 V CA -0.447 61.722 62.300 -0.218 0.000 0.905 580 V CB 1.698 33.195 31.823 -0.543 0.000 0.997 580 V HN 1.238 nan 8.190 nan 0.000 0.436 581 T N -0.684 113.797 114.554 -0.121 0.000 2.883 581 T HA 0.641 4.990 4.350 -0.001 0.000 0.301 581 T C -0.972 173.702 174.700 -0.042 0.000 1.158 581 T CA -0.918 61.135 62.100 -0.078 0.000 1.007 581 T CB 2.105 70.920 68.868 -0.089 0.000 1.186 581 T HN 0.709 nan 8.240 nan 0.000 0.499 582 D N 0.484 120.831 120.400 -0.088 0.000 2.506 582 D HA 0.292 4.932 4.640 -0.001 0.000 0.272 582 D C 0.993 177.154 176.300 -0.232 0.000 1.214 582 D CA -1.160 52.679 54.000 -0.269 0.000 1.067 582 D CB 0.229 40.859 40.800 -0.283 0.000 1.117 582 D HN 0.316 nan 8.370 nan 0.000 0.578 583 L N -0.648 120.422 121.223 -0.256 0.000 2.552 583 L HA 0.232 4.571 4.340 -0.001 0.000 0.227 583 L C 1.912 178.702 176.870 -0.134 0.000 1.146 583 L CA 0.891 55.620 54.840 -0.185 0.000 0.858 583 L CB -0.862 41.094 42.059 -0.173 0.000 0.969 583 L HN 0.634 nan 8.230 nan 0.000 0.451 584 A N -1.400 121.346 122.820 -0.123 0.000 2.251 584 A HA 0.078 4.398 4.320 -0.001 0.000 0.209 584 A C 1.147 178.682 177.584 -0.083 0.000 1.187 584 A CA 0.227 52.209 52.037 -0.091 0.000 0.823 584 A CB -0.371 18.581 19.000 -0.080 0.000 0.846 584 A HN 0.503 nan 8.150 nan 0.000 0.486 585 N N -0.109 118.533 118.700 -0.095 0.000 2.829 585 N HA -0.126 4.614 4.740 -0.001 0.000 0.250 585 N C -1.068 174.394 175.510 -0.080 0.000 1.090 585 N CA 0.611 53.611 53.050 -0.083 0.000 0.781 585 N CB -1.347 37.102 38.487 -0.064 0.000 1.124 585 N HN 0.581 nan 8.380 nan 0.000 0.559 586 N N 1.615 120.264 118.700 -0.085 0.000 2.520 586 N HA 0.270 5.009 4.740 -0.001 0.000 0.273 586 N C -2.284 173.157 175.510 -0.116 0.000 1.155 586 N CA -0.646 52.349 53.050 -0.091 0.000 0.967 586 N CB 0.619 39.062 38.487 -0.072 0.000 1.092 586 N HN 0.203 nan 8.380 nan 0.000 0.457 587 P HA 0.106 nan 4.420 nan 0.000 0.271 587 P C -0.528 176.643 177.300 -0.214 0.000 1.218 587 P CA -0.184 62.746 63.100 -0.283 0.000 0.780 587 P CB 0.913 32.200 31.700 -0.687 0.000 0.901 588 V N 2.347 122.181 119.914 -0.133 0.000 2.487 588 V HA 0.199 4.319 4.120 -0.001 0.000 0.298 588 V C 0.575 176.671 176.094 0.004 0.000 1.028 588 V CA -0.801 61.476 62.300 -0.039 0.000 0.860 588 V CB 1.397 33.203 31.823 -0.027 0.000 0.991 588 V HN 0.562 nan 8.190 nan 0.000 0.427 589 E N 2.803 123.043 120.200 0.067 0.000 2.480 589 E HA 0.409 4.758 4.350 -0.001 0.000 0.258 589 E C -0.183 176.490 176.600 0.123 0.000 0.984 589 E CA 0.106 56.577 56.400 0.119 0.000 0.930 589 E CB 0.865 30.635 29.700 0.117 0.000 0.936 589 E HN 0.859 nan 8.360 nan 0.000 0.466 590 A N 4.423 127.304 122.820 0.102 0.000 2.469 590 A HA 0.434 4.754 4.320 -0.001 0.000 0.299 590 A C -1.159 176.448 177.584 0.037 0.000 1.098 590 A CA -0.684 51.423 52.037 0.118 0.000 0.737 590 A CB 1.943 21.007 19.000 0.106 0.000 1.312 590 A HN 0.652 nan 8.150 nan 0.000 0.414 591 Q N 0.813 120.642 119.800 0.049 0.000 2.356 591 Q HA 0.657 4.996 4.340 -0.001 0.000 0.270 591 Q C -2.010 173.984 176.000 -0.009 0.000 1.058 591 Q CA -0.548 55.239 55.803 -0.027 0.000 0.802 591 Q CB 2.194 30.951 28.738 0.032 0.000 1.303 591 Q HN 0.569 nan 8.270 nan 0.000 0.444 592 V N 2.484 122.324 119.914 -0.123 0.000 2.513 592 V HA 0.604 4.724 4.120 -0.001 0.000 0.299 592 V C -0.599 175.660 176.094 0.274 0.000 1.035 592 V CA -0.304 62.030 62.300 0.057 0.000 0.889 592 V CB 1.929 33.748 31.823 -0.006 0.000 0.988 592 V HN 0.859 nan 8.190 nan 0.000 0.440 593 S N 4.898 120.798 115.700 0.333 0.000 2.632 593 S HA 0.694 5.163 4.470 -0.001 0.000 0.289 593 S C -2.795 171.880 174.600 0.125 0.000 1.115 593 S CA -1.130 57.254 58.200 0.306 0.000 0.889 593 S CB 2.493 65.820 63.200 0.212 0.000 1.116 593 S HN 0.530 nan 8.310 nan 0.000 0.486 594 P HA 0.322 nan 4.420 nan 0.000 0.275 594 P C -1.202 175.761 177.300 -0.562 0.000 1.266 594 P CA -0.547 62.175 63.100 -0.630 0.000 0.793 594 P CB 0.417 31.354 31.700 -1.271 0.000 1.074 595 V N 1.234 120.726 119.914 -0.702 0.000 2.333 595 V HA 0.240 4.360 4.120 -0.001 0.000 0.274 595 V C -0.724 175.027 176.094 -0.571 0.000 1.028 595 V CA -0.220 61.764 62.300 -0.528 0.000 0.851 595 V CB -0.053 31.378 31.823 -0.653 0.000 1.000 595 V HN 0.516 nan 8.190 nan 0.000 0.456 596 W N 3.390 124.583 121.300 -0.179 0.000 2.478 596 W HA 0.639 5.298 4.660 -0.001 0.000 0.318 596 W C 0.306 176.712 176.519 -0.189 0.000 1.062 596 W CA -0.419 56.794 57.345 -0.221 0.000 1.210 596 W CB 1.945 31.278 29.460 -0.211 0.000 1.325 596 W HN 0.558 nan 8.180 nan 0.000 0.496 597 S N 1.407 117.079 115.700 -0.047 0.000 2.521 597 S HA 0.549 5.019 4.470 -0.001 0.000 0.295 597 S C -1.383 172.929 174.600 -0.479 0.000 1.098 597 S CA -0.959 57.152 58.200 -0.148 0.000 0.999 597 S CB 1.009 64.125 63.200 -0.141 0.000 1.034 597 S HN 0.398 nan 8.310 nan 0.000 0.483 598 W N 2.224 123.273 121.300 -0.419 0.000 2.351 598 W HA 0.490 5.150 4.660 -0.001 0.000 0.311 598 W C 0.362 176.525 176.519 -0.593 0.000 1.168 598 W CA -0.088 56.997 57.345 -0.433 0.000 1.200 598 W CB 0.691 30.028 29.460 -0.204 0.000 1.221 598 W HN 0.622 nan 8.180 nan 0.000 0.519 599 H N 1.379 120.450 119.070 0.001 0.000 2.538 599 H HA 0.122 4.678 4.556 -0.001 0.000 0.353 599 H C -0.943 174.386 175.328 0.001 0.000 1.109 599 H CA -1.134 54.889 56.048 -0.041 0.000 1.192 599 H CB 1.556 31.212 29.762 -0.178 0.000 1.555 599 H HN 0.441 nan 8.280 nan 0.000 0.518 600 H N 2.288 121.450 119.070 0.154 0.000 2.911 600 H HA 0.039 4.594 4.556 -0.001 0.000 0.273 600 H C -0.319 175.092 175.328 0.138 0.000 1.157 600 H CA -0.266 55.861 56.048 0.132 0.000 1.402 600 H CB 0.248 30.064 29.762 0.091 0.000 1.463 600 H HN 0.415 nan 8.280 nan 0.000 0.475 601 D N 3.973 124.223 120.400 -0.251 0.000 2.348 601 D HA -0.063 4.576 4.640 -0.001 0.000 0.259 601 D C 1.005 177.168 176.300 -0.229 0.000 1.296 601 D CA 0.332 54.281 54.000 -0.086 0.000 0.931 601 D CB 0.694 41.591 40.800 0.162 0.000 1.067 601 D HN 0.830 nan 8.370 nan 0.000 0.503 602 T N 1.380 115.908 114.554 -0.042 0.000 3.007 602 T HA -0.110 4.239 4.350 -0.001 0.000 0.270 602 T C 1.844 176.561 174.700 0.028 0.000 1.107 602 T CA 0.230 62.366 62.100 0.060 0.000 1.118 602 T CB 0.218 69.157 68.868 0.119 0.000 0.889 602 T HN 0.258 nan 8.240 nan 0.000 0.506 603 L N 2.135 123.359 121.223 0.002 0.000 2.071 603 L HA 0.096 4.435 4.340 -0.001 0.000 0.201 603 L C 3.036 179.898 176.870 -0.014 0.000 1.076 603 L CA 2.196 57.036 54.840 0.001 0.000 0.755 603 L CB -1.901 40.157 42.059 -0.001 0.000 0.915 603 L HN 0.527 nan 8.230 nan 0.000 0.445 604 T N -3.520 111.014 114.554 -0.034 0.000 3.118 604 T HA -0.032 4.318 4.350 -0.001 0.000 0.260 604 T C 0.752 175.426 174.700 -0.042 0.000 1.139 604 T CA -0.126 61.944 62.100 -0.049 0.000 1.085 604 T CB -0.032 68.779 68.868 -0.096 0.000 0.934 604 T HN 0.117 nan 8.240 nan 0.000 0.518 605 K N 2.082 122.448 120.400 -0.057 0.000 3.150 605 K HA -0.127 4.192 4.320 -0.001 0.000 0.267 605 K C 0.160 176.738 176.600 -0.037 0.000 1.028 605 K CA 1.276 57.540 56.287 -0.038 0.000 0.753 605 K CB -2.750 29.778 32.500 0.046 0.000 1.288 605 K HN 0.899 nan 8.250 nan 0.000 0.473 606 T N -2.954 111.544 114.554 -0.093 0.000 2.865 606 T HA 0.819 5.168 4.350 -0.001 0.000 0.294 606 T C 0.164 174.918 174.700 0.091 0.000 1.119 606 T CA -1.063 61.054 62.100 0.029 0.000 1.007 606 T CB 2.255 71.142 68.868 0.031 0.000 1.225 606 T HN 0.129 nan 8.240 nan 0.000 0.515 607 I N 2.689 123.391 120.570 0.222 0.000 2.382 607 I HA 0.492 4.661 4.170 -0.001 0.000 0.285 607 I C -0.409 175.970 176.117 0.437 0.000 1.007 607 I CA -0.738 60.741 61.300 0.298 0.000 1.142 607 I CB 0.795 38.964 38.000 0.282 0.000 1.289 607 I HN 0.920 nan 8.210 nan 0.000 0.453 608 H N 5.757 124.938 119.070 0.185 0.000 2.928 608 H HA 0.699 5.254 4.556 -0.001 0.000 0.371 608 H C -3.126 171.972 175.328 -0.383 0.000 1.186 608 H CA -2.415 53.601 56.048 -0.052 0.000 1.134 608 H CB 1.991 31.724 29.762 -0.049 0.000 1.824 608 H HN 0.161 nan 8.280 nan 0.000 0.554 609 P HA 0.199 nan 4.420 nan 0.000 0.290 609 P C -1.079 176.063 177.300 -0.263 0.000 1.275 609 P CA -0.697 61.813 63.100 -0.984 0.000 0.841 609 P CB 1.960 32.702 31.700 -1.597 0.000 1.042 610 Q N 0.702 120.443 119.800 -0.098 0.000 2.353 610 Q HA 0.571 4.910 4.340 -0.001 0.000 0.268 610 Q C 0.111 176.135 176.000 0.041 0.000 1.045 610 Q CA -0.543 55.314 55.803 0.090 0.000 0.811 610 Q CB 2.701 31.520 28.738 0.136 0.000 1.305 610 Q HN 0.612 nan 8.270 nan 0.000 0.447 611 G N 0.577 109.292 108.800 -0.143 0.000 2.389 611 G HA2 0.357 4.317 3.960 -0.001 0.000 0.328 611 G HA3 0.357 4.317 3.960 -0.001 0.000 0.328 611 G C -0.371 174.253 174.900 -0.461 0.000 1.133 611 G CA -0.334 44.360 45.100 -0.678 0.000 0.891 611 G HN 0.424 nan 8.290 nan 0.000 0.485 612 S N -0.425 114.945 115.700 -0.549 0.000 2.565 612 S HA 0.318 4.788 4.470 -0.001 0.000 0.276 612 S C 1.552 175.870 174.600 -0.469 0.000 1.326 612 S CA 0.263 58.189 58.200 -0.456 0.000 1.045 612 S CB 0.810 63.684 63.200 -0.545 0.000 0.918 612 S HN 0.892 nan 8.310 nan 0.000 0.505 613 T N -0.028 114.343 114.554 -0.306 0.000 3.069 613 T HA 0.136 4.486 4.350 -0.001 0.000 0.252 613 T C 1.157 175.763 174.700 -0.158 0.000 1.053 613 T CA 0.498 62.489 62.100 -0.183 0.000 0.964 613 T CB -0.210 68.610 68.868 -0.079 0.000 1.005 613 T HN 0.705 nan 8.240 nan 0.000 0.532 614 T N -1.519 112.854 114.554 -0.302 0.000 2.975 614 T HA 0.384 4.733 4.350 -0.001 0.000 0.261 614 T C 0.244 174.752 174.700 -0.319 0.000 0.984 614 T CA -0.533 61.450 62.100 -0.195 0.000 0.911 614 T CB 0.223 69.025 68.868 -0.109 0.000 1.127 614 T HN 0.359 nan 8.240 nan 0.000 0.514 615 K N 0.453 120.443 120.400 -0.684 0.000 2.435 615 K HA 0.687 5.006 4.320 -0.001 0.000 0.251 615 K C -1.878 174.066 176.600 -1.093 0.000 0.954 615 K CA -0.922 55.007 56.287 -0.598 0.000 0.820 615 K CB 2.149 34.366 32.500 -0.472 0.000 1.292 615 K HN 0.122 nan 8.250 nan 0.000 0.436 616 Y N -0.223 119.991 120.300 -0.142 0.000 2.615 616 Y HA 0.422 4.972 4.550 -0.001 0.000 0.341 616 Y C -0.339 175.572 175.900 0.019 0.000 1.089 616 Y CA -1.190 56.855 58.100 -0.092 0.000 1.049 616 Y CB 1.883 40.359 38.460 0.027 0.000 1.296 616 Y HN 0.245 nan 8.280 nan 0.000 0.470 617 R N 1.761 122.391 120.500 0.218 0.000 2.294 617 R HA 0.585 4.924 4.340 -0.001 0.000 0.319 617 R C -1.245 175.226 176.300 0.285 0.000 0.984 617 R CA -0.627 55.647 56.100 0.290 0.000 0.861 617 R CB 1.586 32.029 30.300 0.239 0.000 1.104 617 R HN 0.658 nan 8.270 nan 0.000 0.451 618 I N 4.448 125.210 120.570 0.319 0.000 2.404 618 I HA 0.434 4.603 4.170 -0.001 0.000 0.293 618 I C -1.072 175.230 176.117 0.309 0.000 0.992 618 I CA -0.800 60.678 61.300 0.296 0.000 1.149 618 I CB 1.078 39.268 38.000 0.316 0.000 1.315 618 I HN 0.549 nan 8.210 nan 0.000 0.446 619 I N 8.206 128.924 120.570 0.246 0.000 2.465 619 I HA 0.520 4.690 4.170 -0.001 0.000 0.291 619 I C -0.995 175.271 176.117 0.249 0.000 1.014 619 I CA -0.574 60.824 61.300 0.164 0.000 1.093 619 I CB 1.684 39.739 38.000 0.092 0.000 1.267 619 I HN 0.516 nan 8.210 nan 0.000 0.431 620 F N 2.701 122.678 119.950 0.045 0.000 2.668 620 F HA 0.556 5.083 4.527 -0.001 0.000 0.309 620 F C -0.997 174.786 175.800 -0.028 0.000 1.117 620 F CA -1.308 56.694 58.000 0.005 0.000 0.951 620 F CB 1.329 40.317 39.000 -0.019 0.000 1.323 620 F HN 0.229 nan 8.300 nan 0.000 0.451 621 K N 2.187 122.685 120.400 0.164 0.000 2.316 621 K HA 0.702 5.021 4.320 -0.001 0.000 0.289 621 K C -0.538 176.119 176.600 0.094 0.000 1.070 621 K CA -0.248 56.076 56.287 0.061 0.000 0.928 621 K CB 0.655 33.220 32.500 0.107 0.000 1.039 621 K HN 0.920 nan 8.250 nan 0.000 0.480 622 A N 4.606 127.389 122.820 -0.061 0.000 2.304 622 A HA 0.423 4.742 4.320 -0.001 0.000 0.301 622 A C -0.617 177.105 177.584 0.230 0.000 1.132 622 A CA -0.674 51.386 52.037 0.040 0.000 0.819 622 A CB 0.694 19.678 19.000 -0.027 0.000 1.094 622 A HN 0.878 nan 8.150 nan 0.000 0.492 623 R N 1.793 122.547 120.500 0.422 0.000 2.409 623 R HA 0.595 4.934 4.340 -0.001 0.000 0.313 623 R C -1.923 174.640 176.300 0.438 0.000 0.953 623 R CA -0.228 56.105 56.100 0.389 0.000 0.849 623 R CB 1.347 31.860 30.300 0.354 0.000 1.171 623 R HN 0.506 nan 8.270 nan 0.000 0.458 624 V N 5.928 126.049 119.914 0.345 0.000 2.656 624 V HA 0.485 4.604 4.120 -0.001 0.000 0.307 624 V C -2.263 173.718 176.094 -0.188 0.000 1.051 624 V CA -2.404 59.991 62.300 0.158 0.000 0.893 624 V CB 1.923 33.811 31.823 0.107 0.000 0.999 624 V HN 0.777 nan 8.190 nan 0.000 0.426 625 P HA 0.198 nan 4.420 nan 0.000 0.271 625 P C -2.727 174.084 177.300 -0.815 0.000 1.233 625 P CA -1.192 61.008 63.100 -1.499 0.000 0.789 625 P CB -0.248 30.793 31.700 -1.099 0.000 0.951 626 P HA 0.070 nan 4.420 nan 0.000 0.264 626 P C 0.133 177.384 177.300 -0.083 0.000 1.193 626 P CA 0.589 63.493 63.100 -0.325 0.000 0.763 626 P CB -0.209 31.374 31.700 -0.196 0.000 0.810 627 M N 0.295 119.895 119.600 0.000 0.000 2.210 627 M HA -0.223 4.257 4.480 -0.001 0.000 0.198 627 M C 0.598 177.097 176.300 0.331 0.000 0.319 627 M CA 0.953 56.393 55.300 0.233 0.000 0.399 627 M CB -2.012 30.817 32.600 0.381 0.000 1.227 627 M HN 0.597 nan 8.290 nan 0.000 0.931 628 G N -0.249 108.605 108.800 0.089 0.000 3.135 628 G HA2 0.939 4.898 3.960 -0.001 0.000 0.278 628 G HA3 0.939 4.898 3.960 -0.001 0.000 0.278 628 G C -1.310 173.725 174.900 0.226 0.000 1.302 628 G CA -0.960 44.175 45.100 0.058 0.000 0.880 628 G HN 0.195 nan 8.290 nan 0.000 0.574 629 L N -0.598 120.733 121.223 0.180 0.000 2.393 629 L HA 0.802 5.142 4.340 -0.001 0.000 0.260 629 L C -0.371 176.587 176.870 0.147 0.000 1.002 629 L CA -1.071 53.900 54.840 0.217 0.000 0.818 629 L CB 2.508 44.701 42.059 0.224 0.000 1.369 629 L HN 0.773 nan 8.230 nan 0.000 0.412 630 A N 0.670 123.616 122.820 0.210 0.000 2.408 630 A HA 0.772 5.092 4.320 -0.001 0.000 0.295 630 A C -0.809 176.905 177.584 0.218 0.000 1.040 630 A CA -0.430 51.710 52.037 0.172 0.000 0.707 630 A CB 1.683 20.842 19.000 0.265 0.000 1.235 630 A HN 0.550 nan 8.150 nan 0.000 0.418 631 T N 2.236 116.812 114.554 0.036 0.000 2.829 631 T HA 0.656 5.005 4.350 -0.001 0.000 0.282 631 T C -0.992 173.597 174.700 -0.184 0.000 0.990 631 T CA 0.261 62.427 62.100 0.110 0.000 1.028 631 T CB 0.347 69.284 68.868 0.114 0.000 0.951 631 T HN 0.443 nan 8.240 nan 0.000 0.460 632 Y N 0.260 120.638 120.300 0.130 0.000 2.634 632 Y HA 0.680 5.229 4.550 -0.001 0.000 0.340 632 Y C -0.370 175.450 175.900 -0.133 0.000 1.058 632 Y CA -1.174 56.916 58.100 -0.017 0.000 1.081 632 Y CB 1.711 40.166 38.460 -0.008 0.000 1.295 632 Y HN 0.306 nan 8.280 nan 0.000 0.487 633 V N 2.991 122.862 119.914 -0.071 0.000 2.638 633 V HA 0.438 4.557 4.120 -0.001 0.000 0.306 633 V C -0.877 175.157 176.094 -0.101 0.000 1.052 633 V CA -0.946 61.254 62.300 -0.166 0.000 0.885 633 V CB 1.810 33.464 31.823 -0.281 0.000 0.999 633 V HN 0.491 nan 8.190 nan 0.000 0.424 634 L N 3.889 125.082 121.223 -0.050 0.000 2.296 634 L HA 0.688 5.027 4.340 -0.001 0.000 0.286 634 L C -0.103 176.783 176.870 0.026 0.000 1.023 634 L CA -0.165 54.661 54.840 -0.023 0.000 0.812 634 L CB 1.833 43.893 42.059 0.003 0.000 1.223 634 L HN 0.592 nan 8.230 nan 0.000 0.421 635 T N 3.686 118.260 114.554 0.032 0.000 2.841 635 T HA 0.464 4.813 4.350 -0.001 0.000 0.283 635 T C -0.193 174.555 174.700 0.080 0.000 1.000 635 T CA -0.387 61.745 62.100 0.054 0.000 0.977 635 T CB 2.401 71.290 68.868 0.035 0.000 0.979 635 T HN 0.397 nan 8.240 nan 0.000 0.446 636 I N 2.140 122.766 120.570 0.094 0.000 2.662 636 I HA 0.579 4.748 4.170 -0.001 0.000 0.291 636 I C 0.117 176.298 176.117 0.106 0.000 1.046 636 I CA 0.129 61.501 61.300 0.119 0.000 1.361 636 I CB 1.130 39.204 38.000 0.123 0.000 1.429 636 I HN 0.595 nan 8.210 nan 0.000 0.558 637 S N 3.517 119.297 115.700 0.134 0.000 2.632 637 S HA 0.248 4.718 4.470 -0.001 0.000 0.289 637 S C 0.381 175.004 174.600 0.039 0.000 1.115 637 S CA -0.652 57.590 58.200 0.069 0.000 0.889 637 S CB 1.420 64.653 63.200 0.055 0.000 1.116 637 S HN 0.791 nan 8.310 nan 0.000 0.486 638 D N 0.909 121.272 120.400 -0.062 0.000 2.347 638 D HA 0.059 4.698 4.640 -0.001 0.000 0.213 638 D C 0.547 176.576 176.300 -0.451 0.000 0.985 638 D CA 0.469 54.396 54.000 -0.123 0.000 0.879 638 D CB 0.065 40.811 40.800 -0.090 0.000 0.919 638 D HN 0.440 nan 8.370 nan 0.000 0.526 639 S N -1.207 114.120 115.700 -0.622 0.000 2.656 639 S HA 0.300 4.769 4.470 -0.001 0.000 0.273 639 S C -0.781 173.364 174.600 -0.759 0.000 1.168 639 S CA -1.139 56.380 58.200 -1.134 0.000 0.817 639 S CB 1.554 64.406 63.200 -0.580 0.000 1.146 639 S HN -0.033 nan 8.310 nan 0.000 0.475 640 K N 2.424 122.477 120.400 -0.579 0.000 2.404 640 K HA 0.078 4.397 4.320 -0.001 0.000 0.271 640 K C -2.079 174.554 176.600 0.055 0.000 1.130 640 K CA -0.216 56.101 56.287 0.050 0.000 1.181 640 K CB -0.603 31.947 32.500 0.084 0.000 0.840 640 K HN 0.474 nan 8.250 nan 0.000 0.483 641 P HA 0.019 nan 4.420 nan 0.000 0.276 641 P C 0.428 177.748 177.300 0.033 0.000 1.244 641 P CA -0.256 62.890 63.100 0.076 0.000 0.801 641 P CB 0.930 32.699 31.700 0.114 0.000 1.006 642 E N 0.991 121.166 120.200 -0.042 0.000 2.118 642 E HA -0.222 4.127 4.350 -0.001 0.000 0.195 642 E C 0.666 177.047 176.600 -0.366 0.000 0.992 642 E CA 1.143 57.421 56.400 -0.205 0.000 0.804 642 E CB -0.066 29.465 29.700 -0.283 0.000 0.741 642 E HN 0.473 nan 8.360 nan 0.000 0.458 643 H N -0.636 118.445 119.070 0.019 0.000 2.505 643 H HA 0.216 4.771 4.556 -0.001 0.000 0.289 643 H C -0.381 174.944 175.328 -0.006 0.000 1.052 643 H CA 0.226 56.280 56.048 0.009 0.000 1.156 643 H CB 0.716 30.481 29.762 0.005 0.000 1.507 643 H HN -0.042 nan 8.280 nan 0.000 0.548 644 T N 1.420 115.990 114.554 0.025 0.000 2.807 644 T HA 0.335 4.684 4.350 -0.001 0.000 0.279 644 T C 0.303 174.888 174.700 -0.192 0.000 0.993 644 T CA -0.697 61.358 62.100 -0.074 0.000 0.970 644 T CB 2.161 70.987 68.868 -0.070 0.000 0.950 644 T HN 0.263 nan 8.240 nan 0.000 0.441 645 S N 2.225 117.759 115.700 -0.276 0.000 2.704 645 S HA 0.793 5.262 4.470 -0.001 0.000 0.305 645 S C -1.463 172.775 174.600 -0.604 0.000 1.107 645 S CA -0.830 57.218 58.200 -0.253 0.000 0.993 645 S CB 0.922 64.084 63.200 -0.063 0.000 1.110 645 S HN 0.570 nan 8.310 nan 0.000 0.534 646 Y N 0.001 120.299 120.300 -0.003 0.000 2.376 646 Y HA 0.666 5.215 4.550 -0.001 0.000 0.340 646 Y C 0.555 176.495 175.900 0.066 0.000 0.965 646 Y CA -0.785 57.294 58.100 -0.034 0.000 1.078 646 Y CB 1.721 40.016 38.460 -0.275 0.000 1.193 646 Y HN 1.037 nan 8.280 nan 0.000 0.452 647 A N 1.943 124.932 122.820 0.282 0.000 2.407 647 A HA 0.532 4.851 4.320 -0.001 0.000 0.248 647 A C 0.236 178.011 177.584 0.319 0.000 1.082 647 A CA -0.363 51.834 52.037 0.267 0.000 0.785 647 A CB -0.016 19.137 19.000 0.256 0.000 1.020 647 A HN 0.768 nan 8.150 nan 0.000 0.489 648 S N 1.967 117.791 115.700 0.208 0.000 2.632 648 S HA 0.534 5.004 4.470 -0.001 0.000 0.271 648 S C -0.349 174.347 174.600 0.159 0.000 1.260 648 S CA -0.873 57.436 58.200 0.181 0.000 1.010 648 S CB 0.749 64.012 63.200 0.105 0.000 0.965 648 S HN 0.687 nan 8.310 nan 0.000 0.534 649 N N 0.472 119.245 118.700 0.121 0.000 2.260 649 N HA 0.494 5.233 4.740 -0.001 0.000 0.293 649 N C -1.990 173.463 175.510 -0.096 0.000 1.058 649 N CA -0.533 52.542 53.050 0.042 0.000 0.824 649 N CB 2.030 40.624 38.487 0.177 0.000 1.551 649 N HN 0.579 nan 8.380 nan 0.000 0.475 650 L N 2.658 123.776 121.223 -0.175 0.000 2.404 650 L HA 0.479 4.819 4.340 -0.001 0.000 0.272 650 L C -1.499 175.202 176.870 -0.282 0.000 0.980 650 L CA -0.548 54.158 54.840 -0.222 0.000 0.836 650 L CB 1.485 43.469 42.059 -0.126 0.000 1.238 650 L HN 0.429 nan 8.230 nan 0.000 0.408 651 L N 6.775 127.777 121.223 -0.369 0.000 2.265 651 L HA 0.471 4.811 4.340 -0.001 0.000 0.289 651 L C -1.282 175.546 176.870 -0.070 0.000 1.033 651 L CA -0.393 54.286 54.840 -0.269 0.000 0.814 651 L CB 1.174 43.042 42.059 -0.317 0.000 1.203 651 L HN 0.676 nan 8.230 nan 0.000 0.423 652 L N 6.949 128.151 121.223 -0.035 0.000 2.262 652 L HA 0.565 4.904 4.340 -0.001 0.000 0.288 652 L C -0.260 176.641 176.870 0.052 0.000 1.035 652 L CA -0.512 54.342 54.840 0.024 0.000 0.820 652 L CB 1.086 43.150 42.059 0.008 0.000 1.204 652 L HN 0.673 nan 8.230 nan 0.000 0.424 653 R N 2.006 122.550 120.500 0.073 0.000 2.753 653 R HA 0.459 4.799 4.340 -0.001 0.000 0.272 653 R C -1.700 174.631 176.300 0.052 0.000 1.034 653 R CA -1.065 55.072 56.100 0.062 0.000 0.869 653 R CB 1.088 31.426 30.300 0.063 0.000 1.264 653 R HN 0.107 nan 8.270 nan 0.000 0.481 654 K N 1.262 121.681 120.400 0.031 0.000 2.126 654 K HA 0.185 4.504 4.320 -0.001 0.000 0.257 654 K C -0.288 176.308 176.600 -0.007 0.000 1.007 654 K CA -0.603 55.693 56.287 0.015 0.000 0.928 654 K CB 0.580 33.088 32.500 0.012 0.000 1.013 654 K HN 0.828 nan 8.250 nan 0.000 0.473 655 N N 1.006 119.691 118.700 -0.025 0.000 2.696 655 N HA -0.118 4.621 4.740 -0.001 0.000 0.256 655 N C -2.601 172.860 175.510 -0.081 0.000 1.031 655 N CA 0.140 53.157 53.050 -0.054 0.000 0.730 655 N CB -0.601 37.856 38.487 -0.050 0.000 0.894 655 N HN 0.399 nan 8.380 nan 0.000 0.544 656 P HA 0.385 nan 4.420 nan 0.000 0.281 656 P C -0.528 176.600 177.300 -0.287 0.000 1.264 656 P CA -0.276 62.727 63.100 -0.163 0.000 0.824 656 P CB 1.267 32.866 31.700 -0.169 0.000 1.092 657 T N -3.259 111.124 114.554 -0.284 0.000 2.916 657 T HA 0.469 4.819 4.350 -0.001 0.000 0.292 657 T C 0.217 174.750 174.700 -0.279 0.000 1.055 657 T CA -0.739 61.207 62.100 -0.256 0.000 1.009 657 T CB 0.600 69.390 68.868 -0.129 0.000 1.118 657 T HN 0.481 nan 8.240 nan 0.000 0.497 658 S N 1.018 116.604 115.700 -0.191 0.000 2.566 658 S HA 0.341 4.810 4.470 -0.001 0.000 0.280 658 S C -0.148 174.563 174.600 0.185 0.000 1.343 658 S CA -0.686 57.508 58.200 -0.008 0.000 1.036 658 S CB -0.372 62.832 63.200 0.007 0.000 0.866 658 S HN 0.702 nan 8.310 nan 0.000 0.526 659 L N 2.721 124.147 121.223 0.339 0.000 2.481 659 L HA 0.381 4.721 4.340 -0.001 0.000 0.255 659 L C -2.271 174.707 176.870 0.181 0.000 1.192 659 L CA -1.562 53.445 54.840 0.278 0.000 0.924 659 L CB 1.754 44.048 42.059 0.393 0.000 1.179 659 L HN 0.616 nan 8.230 nan 0.000 0.491 660 P HA 0.205 nan 4.420 nan 0.000 0.274 660 P C -0.245 177.055 177.300 0.000 0.000 1.231 660 P CA -0.242 62.896 63.100 0.063 0.000 0.790 660 P CB 1.845 33.573 31.700 0.046 0.000 0.951 661 L N 1.190 122.424 121.223 0.018 0.000 3.291 661 L HA 0.283 4.622 4.340 -0.001 0.000 0.307 661 L C 1.426 178.367 176.870 0.119 0.000 1.303 661 L CA -0.262 54.567 54.840 -0.018 0.000 0.949 661 L CB 0.107 42.124 42.059 -0.069 0.000 1.375 661 L HN 0.722 nan 8.230 nan 0.000 0.596 662 G N 1.113 109.960 108.800 0.079 0.000 2.651 662 G HA2 -0.416 3.543 3.960 -0.001 0.000 0.315 662 G HA3 -0.416 3.543 3.960 -0.001 0.000 0.315 662 G C 0.592 175.552 174.900 0.100 0.000 1.258 662 G CA 0.851 46.017 45.100 0.109 0.000 1.002 662 G HN 0.505 nan 8.290 nan 0.000 0.551 663 Q N -0.570 119.273 119.800 0.071 0.000 2.472 663 Q HA 0.160 4.499 4.340 -0.001 0.000 0.208 663 Q C 0.826 176.660 176.000 -0.277 0.000 0.958 663 Q CA 0.244 55.973 55.803 -0.123 0.000 0.932 663 Q CB 0.206 28.782 28.738 -0.270 0.000 1.007 663 Q HN 0.492 nan 8.270 nan 0.000 0.508 664 Y N 4.039 124.151 120.300 -0.314 0.000 2.865 664 Y HA -0.083 4.466 4.550 -0.001 0.000 0.338 664 Y C -1.274 174.474 175.900 -0.253 0.000 1.269 664 Y CA -1.454 56.448 58.100 -0.331 0.000 1.585 664 Y CB 0.762 39.196 38.460 -0.043 0.000 1.224 664 Y HN 0.082 nan 8.280 nan 0.000 0.554 665 P HA -0.126 nan 4.420 nan 0.000 0.230 665 P C -0.465 176.667 177.300 -0.281 0.000 1.158 665 P CA 0.918 63.733 63.100 -0.476 0.000 0.769 665 P CB 0.350 31.632 31.700 -0.697 0.000 0.807 666 E N 0.834 120.893 120.200 -0.234 0.000 2.165 666 E HA 0.203 4.552 4.350 -0.001 0.000 0.266 666 E C -0.768 175.966 176.600 0.224 0.000 0.889 666 E CA -0.790 55.631 56.400 0.035 0.000 0.756 666 E CB 0.654 30.409 29.700 0.091 0.000 1.131 666 E HN -0.136 nan 8.360 nan 0.000 0.411 667 D N 3.071 123.555 120.400 0.139 0.000 2.389 667 D HA 0.078 4.718 4.640 -0.001 0.000 0.247 667 D C -0.047 176.326 176.300 0.121 0.000 1.128 667 D CA -0.108 53.977 54.000 0.142 0.000 0.884 667 D CB 1.295 42.161 40.800 0.111 0.000 1.194 667 D HN 0.218 nan 8.370 nan 0.000 0.441 668 V N 2.911 122.883 119.914 0.098 0.000 2.740 668 V HA -0.041 4.078 4.120 -0.001 0.000 0.303 668 V C 0.692 176.661 176.094 -0.208 0.000 1.054 668 V CA 0.278 62.545 62.300 -0.055 0.000 1.106 668 V CB 0.717 32.481 31.823 -0.099 0.000 0.957 668 V HN 0.355 nan 8.190 nan 0.000 0.486 669 K N 2.996 123.210 120.400 -0.311 0.000 2.156 669 K HA 0.729 5.049 4.320 -0.001 0.000 0.250 669 K C -0.970 175.294 176.600 -0.560 0.000 0.955 669 K CA -0.245 55.898 56.287 -0.240 0.000 0.855 669 K CB 1.273 33.725 32.500 -0.079 0.000 1.101 669 K HN 0.396 nan 8.250 nan 0.000 0.434 670 F N -0.624 119.335 119.950 0.014 0.000 2.631 670 F HA 0.821 5.347 4.527 -0.001 0.000 0.328 670 F C 0.590 176.391 175.800 0.001 0.000 1.067 670 F CA -0.600 57.400 58.000 -0.001 0.000 0.969 670 F CB 2.615 41.615 39.000 -0.001 0.000 1.332 670 F HN 0.514 nan 8.300 nan 0.000 0.490 671 G N 0.076 108.989 108.800 0.189 0.000 2.489 671 G HA2 0.363 4.322 3.960 -0.001 0.000 0.291 671 G HA3 0.363 4.322 3.960 -0.001 0.000 0.291 671 G C -2.285 172.664 174.900 0.082 0.000 1.487 671 G CA -0.912 44.251 45.100 0.106 0.000 0.795 671 G HN 0.364 nan 8.290 nan 0.000 0.513 672 D N 0.758 121.193 120.400 0.059 0.000 2.339 672 D HA 0.419 5.059 4.640 -0.001 0.000 0.245 672 D C -1.990 174.337 176.300 0.043 0.000 1.115 672 D CA -0.671 53.358 54.000 0.048 0.000 0.917 672 D CB 1.076 41.899 40.800 0.038 0.000 1.192 672 D HN 0.016 nan 8.370 nan 0.000 0.428 673 P HA 0.068 nan 4.420 nan 0.000 0.265 673 P C -0.430 176.895 177.300 0.041 0.000 1.187 673 P CA 0.423 63.549 63.100 0.043 0.000 0.766 673 P CB 0.426 32.154 31.700 0.047 0.000 0.820 674 R N 0.227 120.752 120.500 0.042 0.000 2.690 674 R HA 0.402 4.742 4.340 -0.001 0.000 0.269 674 R C -1.164 175.168 176.300 0.054 0.000 1.037 674 R CA -1.018 55.108 56.100 0.043 0.000 0.877 674 R CB 1.035 31.357 30.300 0.036 0.000 1.255 674 R HN 0.232 nan 8.270 nan 0.000 0.467 675 E N 1.685 121.919 120.200 0.057 0.000 2.404 675 E HA 0.283 4.633 4.350 -0.001 0.000 0.261 675 E C 0.024 176.671 176.600 0.077 0.000 1.074 675 E CA -0.059 56.386 56.400 0.075 0.000 0.917 675 E CB 0.878 30.611 29.700 0.054 0.000 0.965 675 E HN 0.463 nan 8.360 nan 0.000 0.433 676 I N -2.423 118.222 120.570 0.126 0.000 2.994 676 I HA 0.542 4.711 4.170 -0.001 0.000 0.306 676 I C -0.786 175.459 176.117 0.213 0.000 1.195 676 I CA -0.847 60.527 61.300 0.123 0.000 1.001 676 I CB 2.479 40.520 38.000 0.070 0.000 1.244 676 I HN 0.152 nan 8.210 nan 0.000 0.437 677 S N 3.924 119.721 115.700 0.163 0.000 2.548 677 S HA 0.846 5.315 4.470 -0.001 0.000 0.286 677 S C -0.778 173.928 174.600 0.176 0.000 1.098 677 S CA -0.674 57.638 58.200 0.186 0.000 0.930 677 S CB 1.892 65.150 63.200 0.097 0.000 1.070 677 S HN 0.535 nan 8.310 nan 0.000 0.480 678 L N 1.820 123.175 121.223 0.219 0.000 2.424 678 L HA 0.686 5.025 4.340 -0.001 0.000 0.258 678 L C -0.542 176.415 176.870 0.144 0.000 0.995 678 L CA -0.699 54.241 54.840 0.166 0.000 0.821 678 L CB 2.392 44.557 42.059 0.176 0.000 1.383 678 L HN 0.549 nan 8.230 nan 0.000 0.410 679 R N 1.536 122.099 120.500 0.105 0.000 2.515 679 R HA 0.688 5.028 4.340 -0.001 0.000 0.291 679 R C -2.084 174.259 176.300 0.072 0.000 1.046 679 R CA -0.450 55.702 56.100 0.086 0.000 0.914 679 R CB 2.243 32.586 30.300 0.072 0.000 1.191 679 R HN 0.412 nan 8.270 nan 0.000 0.435 680 V N 4.474 124.429 119.914 0.069 0.000 2.483 680 V HA 0.597 4.717 4.120 -0.001 0.000 0.295 680 V C 1.086 177.210 176.094 0.050 0.000 1.035 680 V CA 0.618 62.955 62.300 0.060 0.000 0.896 680 V CB 1.279 33.139 31.823 0.063 0.000 0.986 680 V HN 1.111 nan 8.190 nan 0.000 0.447 681 G N 4.693 113.521 108.800 0.046 0.000 2.614 681 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.303 681 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.303 681 G C 0.483 175.404 174.900 0.034 0.000 1.270 681 G CA 0.660 45.784 45.100 0.040 0.000 0.988 681 G HN 0.712 nan 8.290 nan 0.000 0.551 682 N N 2.256 120.973 118.700 0.029 0.000 2.230 682 N HA 0.228 4.967 4.740 -0.001 0.000 0.202 682 N C 1.348 176.869 175.510 0.019 0.000 1.119 682 N CA 0.902 53.965 53.050 0.022 0.000 0.851 682 N CB 0.344 38.841 38.487 0.016 0.000 0.990 682 N HN 0.836 nan 8.380 nan 0.000 0.497 683 G N 2.316 111.131 108.800 0.025 0.000 2.527 683 G HA2 0.071 4.030 3.960 -0.001 0.000 0.279 683 G HA3 0.071 4.030 3.960 -0.001 0.000 0.279 683 G C -2.159 172.752 174.900 0.018 0.000 1.374 683 G CA -0.440 44.674 45.100 0.023 0.000 1.053 683 G HN 0.045 nan 8.290 nan 0.000 0.539 684 P HA 0.218 nan 4.420 nan 0.000 0.274 684 P C -0.570 176.746 177.300 0.027 0.000 1.256 684 P CA -0.018 63.085 63.100 0.005 0.000 0.795 684 P CB 0.952 32.649 31.700 -0.005 0.000 1.038 685 T N 1.635 116.202 114.554 0.023 0.000 2.797 685 T HA 0.523 4.873 4.350 -0.001 0.000 0.279 685 T C -0.099 174.633 174.700 0.054 0.000 0.991 685 T CA -0.414 61.724 62.100 0.064 0.000 0.979 685 T CB 0.286 69.209 68.868 0.091 0.000 0.943 685 T HN 0.182 nan 8.240 nan 0.000 0.444 686 L N 2.344 123.604 121.223 0.062 0.000 2.346 686 L HA 0.830 5.170 4.340 -0.001 0.000 0.276 686 L C 0.013 176.828 176.870 -0.091 0.000 1.006 686 L CA -1.269 53.530 54.840 -0.070 0.000 0.817 686 L CB 1.703 43.691 42.059 -0.119 0.000 1.272 686 L HN 0.652 nan 8.230 nan 0.000 0.421 687 A N 2.698 125.359 122.820 -0.266 0.000 2.330 687 A HA 0.874 5.193 4.320 -0.001 0.000 0.327 687 A C -1.218 176.114 177.584 -0.419 0.000 1.155 687 A CA -0.296 51.637 52.037 -0.173 0.000 0.803 687 A CB 0.790 19.711 19.000 -0.131 0.000 1.208 687 A HN 0.488 nan 8.150 nan 0.000 0.477 688 F N 0.812 120.756 119.950 -0.010 0.000 2.561 688 F HA 0.577 5.103 4.527 -0.001 0.000 0.321 688 F C 1.082 176.885 175.800 0.004 0.000 1.065 688 F CA -0.354 57.651 58.000 0.008 0.000 0.934 688 F CB 2.118 41.141 39.000 0.039 0.000 1.215 688 F HN 0.660 nan 8.300 nan 0.000 0.471 689 S N -0.237 115.579 115.700 0.194 0.000 2.655 689 S HA 0.157 4.626 4.470 -0.001 0.000 0.265 689 S C 0.904 175.591 174.600 0.145 0.000 1.240 689 S CA -0.201 58.078 58.200 0.133 0.000 0.986 689 S CB 0.775 64.049 63.200 0.122 0.000 0.985 689 S HN 0.834 nan 8.310 nan 0.000 0.562 690 E N -0.432 119.831 120.200 0.104 0.000 2.472 690 E HA -0.162 4.188 4.350 -0.001 0.000 0.200 690 E C 1.171 177.824 176.600 0.089 0.000 1.046 690 E CA 0.823 57.275 56.400 0.086 0.000 0.871 690 E CB -0.382 29.358 29.700 0.067 0.000 0.806 690 E HN 0.741 nan 8.360 nan 0.000 0.533 691 Q N -0.082 119.783 119.800 0.108 0.000 2.246 691 Q HA 0.202 4.542 4.340 -0.001 0.000 0.202 691 Q C 0.746 176.823 176.000 0.128 0.000 0.883 691 Q CA 0.396 56.262 55.803 0.105 0.000 0.952 691 Q CB 1.005 29.806 28.738 0.104 0.000 1.078 691 Q HN 0.497 nan 8.270 nan 0.000 0.493 692 G N 0.499 109.391 108.800 0.153 0.000 2.143 692 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.248 692 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.248 692 G C -0.213 174.899 174.900 0.355 0.000 0.991 692 G CA -0.052 45.149 45.100 0.168 0.000 0.689 692 G HN 0.274 nan 8.290 nan 0.000 0.522 693 L N -0.115 121.333 121.223 0.375 0.000 2.325 693 L HA 0.677 5.016 4.340 -0.001 0.000 0.278 693 L C 0.858 177.941 176.870 0.355 0.000 1.023 693 L CA -1.391 53.706 54.840 0.428 0.000 0.811 693 L CB 1.490 43.720 42.059 0.285 0.000 1.249 693 L HN 0.143 nan 8.230 nan 0.000 0.431 694 L N 2.943 124.362 121.223 0.327 0.000 2.543 694 L HA -0.059 4.280 4.340 -0.001 0.000 0.285 694 L C 0.887 177.604 176.870 -0.254 0.000 1.236 694 L CA 1.127 55.871 54.840 -0.160 0.000 0.871 694 L CB 0.114 42.160 42.059 -0.021 0.000 1.121 694 L HN 0.731 nan 8.230 nan 0.000 0.501 695 K N 1.090 121.210 120.400 -0.468 0.000 2.443 695 K HA 0.249 4.568 4.320 -0.001 0.000 0.200 695 K C -0.383 175.831 176.600 -0.643 0.000 1.278 695 K CA 0.567 56.419 56.287 -0.725 0.000 0.925 695 K CB 0.510 32.754 32.500 -0.426 0.000 1.225 695 K HN 0.830 nan 8.250 nan 0.000 0.514 696 S N -0.348 115.115 115.700 -0.395 0.000 2.567 696 S HA 0.517 4.987 4.470 -0.001 0.000 0.270 696 S C -1.019 173.481 174.600 -0.168 0.000 1.152 696 S CA -1.027 57.035 58.200 -0.229 0.000 0.835 696 S CB 1.404 64.542 63.200 -0.103 0.000 1.115 696 S HN 0.098 nan 8.310 nan 0.000 0.459 697 I N 1.318 121.824 120.570 -0.106 0.000 2.466 697 I HA 0.458 4.627 4.170 -0.001 0.000 0.289 697 I C -0.623 175.450 176.117 -0.073 0.000 1.026 697 I CA -0.375 60.874 61.300 -0.085 0.000 1.078 697 I CB 2.149 40.090 38.000 -0.099 0.000 1.249 697 I HN 0.729 nan 8.210 nan 0.000 0.429 698 Q N 6.108 125.861 119.800 -0.078 0.000 2.357 698 Q HA 0.411 4.750 4.340 -0.001 0.000 0.266 698 Q C 0.118 176.051 176.000 -0.112 0.000 1.021 698 Q CA -0.517 55.176 55.803 -0.183 0.000 0.784 698 Q CB 1.649 30.159 28.738 -0.381 0.000 1.243 698 Q HN 0.779 nan 8.270 nan 0.000 0.465 699 L N 1.911 123.074 121.223 -0.100 0.000 2.046 699 L HA -0.061 4.278 4.340 -0.001 0.000 0.208 699 L C 1.220 178.056 176.870 -0.056 0.000 1.077 699 L CA 1.423 56.223 54.840 -0.066 0.000 0.747 699 L CB -0.417 41.605 42.059 -0.061 0.000 0.896 699 L HN 0.661 nan 8.230 nan 0.000 0.432 700 T N -6.418 108.094 114.554 -0.070 0.000 2.887 700 T HA 0.220 4.570 4.350 -0.001 0.000 0.292 700 T C 0.566 175.230 174.700 -0.060 0.000 1.087 700 T CA -0.861 61.208 62.100 -0.051 0.000 1.009 700 T CB 1.978 70.821 68.868 -0.042 0.000 1.203 700 T HN -0.137 nan 8.240 nan 0.000 0.518 701 Q N 1.103 120.883 119.800 -0.034 0.000 2.082 701 Q HA -0.218 4.121 4.340 -0.001 0.000 0.211 701 Q C 1.902 177.880 176.000 -0.038 0.000 1.002 701 Q CA 2.781 58.570 55.803 -0.024 0.000 0.868 701 Q CB -0.459 28.274 28.738 -0.008 0.000 0.931 701 Q HN 0.950 nan 8.270 nan 0.000 0.414 702 D N -0.211 120.165 120.400 -0.040 0.000 2.149 702 D HA -0.066 4.573 4.640 -0.001 0.000 0.206 702 D C 0.772 177.032 176.300 -0.067 0.000 0.967 702 D CA 0.763 54.739 54.000 -0.040 0.000 0.848 702 D CB -0.495 40.289 40.800 -0.026 0.000 0.998 702 D HN 0.127 nan 8.370 nan 0.000 0.474 703 S N 2.193 117.844 115.700 -0.082 0.000 2.540 703 S HA 0.045 4.515 4.470 -0.001 0.000 0.272 703 S C -2.048 172.456 174.600 -0.159 0.000 1.357 703 S CA -0.777 57.363 58.200 -0.100 0.000 1.011 703 S CB -0.123 63.018 63.200 -0.098 0.000 0.852 703 S HN 0.174 nan 8.310 nan 0.000 0.535 704 P HA 0.181 nan 4.420 nan 0.000 0.276 704 P C -0.700 176.456 177.300 -0.239 0.000 1.261 704 P CA -0.420 62.600 63.100 -0.134 0.000 0.800 704 P CB 0.304 31.982 31.700 -0.037 0.000 1.066 705 H N 0.059 119.115 119.070 -0.022 0.000 2.969 705 H HA 0.171 4.726 4.556 -0.001 0.000 0.269 705 H C -0.141 175.157 175.328 -0.050 0.000 1.223 705 H CA -0.328 55.695 56.048 -0.041 0.000 1.400 705 H CB -0.209 29.529 29.762 -0.039 0.000 1.500 705 H HN 0.072 nan 8.280 nan 0.000 0.486 706 V N 6.757 126.658 119.914 -0.022 0.000 2.446 706 V HA 0.026 4.145 4.120 -0.001 0.000 0.276 706 V C -1.852 174.199 176.094 -0.071 0.000 1.030 706 V CA -1.387 60.889 62.300 -0.040 0.000 1.033 706 V CB 0.413 32.199 31.823 -0.061 0.000 0.993 706 V HN 0.523 nan 8.190 nan 0.000 0.477 707 P HA 0.100 nan 4.420 nan 0.000 0.260 707 P C -0.718 176.502 177.300 -0.133 0.000 1.207 707 P CA 0.421 63.445 63.100 -0.127 0.000 0.780 707 P CB 0.256 31.751 31.700 -0.341 0.000 0.789 708 V N 5.354 125.183 119.914 -0.142 0.000 2.462 708 V HA 0.242 4.362 4.120 -0.001 0.000 0.288 708 V C -0.560 175.398 176.094 -0.225 0.000 1.020 708 V CA -0.517 61.676 62.300 -0.178 0.000 0.857 708 V CB 1.115 32.796 31.823 -0.237 0.000 1.013 708 V HN 0.495 nan 8.190 nan 0.000 0.431 709 H N 3.713 122.625 119.070 -0.262 0.000 2.489 709 H HA 0.622 5.178 4.556 -0.001 0.000 0.343 709 H C -0.821 174.382 175.328 -0.209 0.000 1.086 709 H CA -0.552 55.387 56.048 -0.182 0.000 1.198 709 H CB 1.485 31.181 29.762 -0.110 0.000 1.490 709 H HN 0.523 nan 8.280 nan 0.000 0.504 710 F N 2.180 122.122 119.950 -0.013 0.000 2.385 710 F HA 0.387 4.913 4.527 -0.001 0.000 0.336 710 F C 0.426 176.136 175.800 -0.149 0.000 1.100 710 F CA -0.242 57.676 58.000 -0.137 0.000 1.116 710 F CB 1.002 39.920 39.000 -0.137 0.000 1.166 710 F HN 0.296 nan 8.300 nan 0.000 0.511 711 K N 3.359 123.727 120.400 -0.052 0.000 2.527 711 K HA 0.500 4.820 4.320 -0.001 0.000 0.260 711 K C -2.041 174.376 176.600 -0.305 0.000 0.937 711 K CA -0.609 55.633 56.287 -0.075 0.000 0.826 711 K CB 1.576 34.059 32.500 -0.028 0.000 1.359 711 K HN 0.461 nan 8.250 nan 0.000 0.434 712 F N 3.459 123.390 119.950 -0.032 0.000 2.482 712 F HA 0.508 5.034 4.527 -0.001 0.000 0.331 712 F C -0.531 175.248 175.800 -0.036 0.000 1.115 712 F CA -0.627 57.348 58.000 -0.043 0.000 0.955 712 F CB 1.362 40.318 39.000 -0.074 0.000 1.136 712 F HN 0.253 nan 8.300 nan 0.000 0.452 713 L N 2.529 123.813 121.223 0.101 0.000 2.277 713 L HA 0.655 4.994 4.340 -0.001 0.000 0.254 713 L C -1.201 175.668 176.870 -0.002 0.000 1.044 713 L CA -1.009 53.833 54.840 0.004 0.000 0.842 713 L CB 2.247 44.241 42.059 -0.108 0.000 1.422 713 L HN 0.505 nan 8.230 nan 0.000 0.422 714 K N -0.583 119.770 120.400 -0.078 0.000 2.468 714 K HA 0.643 4.962 4.320 -0.001 0.000 0.252 714 K C -1.822 174.712 176.600 -0.110 0.000 0.932 714 K CA -0.776 55.494 56.287 -0.028 0.000 0.794 714 K CB 1.695 34.215 32.500 0.034 0.000 1.241 714 K HN 0.290 nan 8.250 nan 0.000 0.428 715 Y N 0.642 121.005 120.300 0.105 0.000 2.387 715 Y HA 0.522 5.071 4.550 -0.001 0.000 0.330 715 Y C 1.023 176.982 175.900 0.098 0.000 1.133 715 Y CA -0.129 58.044 58.100 0.123 0.000 1.152 715 Y CB 2.245 40.845 38.460 0.234 0.000 1.215 715 Y HN 0.920 nan 8.280 nan 0.000 0.466 716 G N 0.558 109.506 108.800 0.247 0.000 2.828 716 G HA2 0.623 4.583 3.960 -0.001 0.000 0.244 716 G HA3 0.623 4.583 3.960 -0.001 0.000 0.244 716 G C -1.430 173.546 174.900 0.126 0.000 1.365 716 G CA -0.683 44.505 45.100 0.146 0.000 1.041 716 G HN 0.431 nan 8.290 nan 0.000 0.560 717 V N -0.184 119.771 119.914 0.068 0.000 2.914 717 V HA 0.458 4.578 4.120 -0.001 0.000 0.314 717 V C -0.125 175.964 176.094 -0.008 0.000 1.084 717 V CA -0.874 61.446 62.300 0.033 0.000 0.963 717 V CB 1.996 33.841 31.823 0.037 0.000 1.025 717 V HN 0.676 nan 8.190 nan 0.000 0.432 718 R N 1.381 121.849 120.500 -0.053 0.000 2.491 718 R HA 0.178 4.518 4.340 -0.001 0.000 0.283 718 R C 1.259 177.506 176.300 -0.088 0.000 1.072 718 R CA 0.427 56.459 56.100 -0.114 0.000 1.048 718 R CB 0.608 30.787 30.300 -0.202 0.000 0.983 718 R HN 0.921 nan 8.270 nan 0.000 0.450 719 S N 1.371 117.029 115.700 -0.070 0.000 2.489 719 S HA -0.082 4.387 4.470 -0.001 0.000 0.228 719 S C 0.351 174.984 174.600 0.054 0.000 0.995 719 S CA 0.331 58.536 58.200 0.010 0.000 0.934 719 S CB -0.379 62.856 63.200 0.058 0.000 0.771 719 S HN 0.838 nan 8.310 nan 0.000 0.522 720 H N -1.898 117.175 119.070 0.004 0.000 2.851 720 H HA 0.749 5.304 4.556 -0.001 0.000 0.372 720 H C 0.312 175.639 175.328 -0.002 0.000 1.158 720 H CA -0.378 55.670 56.048 0.001 0.000 1.159 720 H CB 1.156 30.918 29.762 0.000 0.000 1.757 720 H HN 0.409 nan 8.280 nan 0.000 0.546 721 G N 1.335 110.174 108.800 0.065 0.000 2.548 721 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.208 721 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.208 721 G C -1.283 173.599 174.900 -0.031 0.000 1.308 721 G CA -0.383 44.721 45.100 0.007 0.000 0.924 721 G HN 0.859 nan 8.290 nan 0.000 0.540 722 D N 0.997 121.372 120.400 -0.041 0.000 2.389 722 D HA 0.540 5.180 4.640 -0.001 0.000 0.247 722 D C 0.917 177.188 176.300 -0.049 0.000 1.128 722 D CA 0.267 54.243 54.000 -0.039 0.000 0.884 722 D CB 0.880 41.657 40.800 -0.037 0.000 1.194 722 D HN 0.447 nan 8.370 nan 0.000 0.441 723 R N 0.590 121.071 120.500 -0.033 0.000 2.428 723 R HA 0.347 4.687 4.340 -0.001 0.000 0.294 723 R C -0.042 176.251 176.300 -0.013 0.000 1.000 723 R CA -0.473 55.614 56.100 -0.021 0.000 0.960 723 R CB 1.004 31.301 30.300 -0.005 0.000 1.076 723 R HN 0.219 nan 8.270 nan 0.000 0.475 724 S N 0.429 116.132 115.700 0.005 0.000 2.572 724 S HA 0.528 4.998 4.470 -0.001 0.000 0.279 724 S C 0.379 175.001 174.600 0.036 0.000 1.341 724 S CA 0.266 58.487 58.200 0.035 0.000 1.043 724 S CB 1.075 64.329 63.200 0.089 0.000 0.887 724 S HN 0.736 nan 8.310 nan 0.000 0.516 725 G N 0.071 108.893 108.800 0.038 0.000 2.947 725 G HA2 0.592 4.552 3.960 -0.001 0.000 0.293 725 G HA3 0.592 4.552 3.960 -0.001 0.000 0.293 725 G C 0.594 175.518 174.900 0.038 0.000 1.243 725 G CA -0.104 45.024 45.100 0.047 0.000 0.802 725 G HN 0.700 nan 8.290 nan 0.000 0.560 726 A N -1.269 121.561 122.820 0.017 0.000 1.972 726 A HA 0.077 4.397 4.320 -0.001 0.000 0.219 726 A C 1.938 179.430 177.584 -0.153 0.000 1.169 726 A CA 1.976 53.962 52.037 -0.085 0.000 0.635 726 A CB -0.629 18.254 19.000 -0.195 0.000 0.810 726 A HN 0.584 nan 8.150 nan 0.000 0.446 727 Y N -0.614 119.622 120.300 -0.108 0.000 2.266 727 Y HA 0.325 4.874 4.550 -0.001 0.000 0.294 727 Y C 0.902 176.690 175.900 -0.186 0.000 1.127 727 Y CA -0.008 57.950 58.100 -0.237 0.000 1.140 727 Y CB -0.255 37.700 38.460 -0.841 0.000 1.071 727 Y HN 0.020 nan 8.280 nan 0.000 0.525 728 L N 0.711 121.897 121.223 -0.061 0.000 2.326 728 L HA 0.178 4.518 4.340 -0.001 0.000 0.278 728 L C -0.828 176.101 176.870 0.098 0.000 1.092 728 L CA -0.208 54.608 54.840 -0.040 0.000 0.810 728 L CB 0.854 42.837 42.059 -0.127 0.000 1.153 728 L HN 0.130 nan 8.230 nan 0.000 0.439 729 F N 5.027 124.926 119.950 -0.085 0.000 2.347 729 F HA 0.460 4.987 4.527 -0.001 0.000 0.366 729 F C -0.585 175.138 175.800 -0.129 0.000 1.107 729 F CA -0.793 57.114 58.000 -0.156 0.000 1.058 729 F CB 0.658 39.496 39.000 -0.269 0.000 1.236 729 F HN 0.330 nan 8.300 nan 0.000 0.456 730 L N 8.936 130.060 121.223 -0.164 0.000 2.556 730 L HA 0.331 4.670 4.340 -0.001 0.000 0.243 730 L C -2.269 174.421 176.870 -0.300 0.000 1.331 730 L CA -1.924 52.761 54.840 -0.258 0.000 0.927 730 L CB 0.796 42.790 42.059 -0.109 0.000 1.219 730 L HN 0.419 nan 8.230 nan 0.000 0.490 731 P HA -0.001 nan 4.420 nan 0.000 0.269 731 P C -0.501 176.714 177.300 -0.143 0.000 1.209 731 P CA -0.184 62.720 63.100 -0.326 0.000 0.776 731 P CB 0.579 31.939 31.700 -0.566 0.000 0.876 732 N N 1.572 120.260 118.700 -0.021 0.000 3.250 732 N HA 0.282 5.021 4.740 -0.001 0.000 0.307 732 N C 0.662 176.183 175.510 0.019 0.000 1.355 732 N CA -0.157 52.880 53.050 -0.022 0.000 1.192 732 N CB -0.731 37.751 38.487 -0.008 0.000 1.478 732 N HN 0.743 nan 8.380 nan 0.000 0.543 733 G N 0.810 109.617 108.800 0.013 0.000 2.655 733 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.680 733 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.680 733 G C -3.071 171.911 174.900 0.137 0.000 1.302 733 G CA -1.126 44.000 45.100 0.044 0.000 0.872 733 G HN 0.369 nan 8.290 nan 0.000 0.540 734 P HA 0.460 nan 4.420 nan 0.000 0.269 734 P C 0.496 177.778 177.300 -0.030 0.000 1.217 734 P CA 0.669 63.847 63.100 0.131 0.000 0.783 734 P CB 0.462 32.196 31.700 0.056 0.000 0.898 735 A N 1.986 124.602 122.820 -0.340 0.000 2.425 735 A HA 0.402 4.722 4.320 -0.001 0.000 0.242 735 A C 0.136 177.574 177.584 -0.243 0.000 1.077 735 A CA 0.270 51.944 52.037 -0.604 0.000 0.781 735 A CB -0.193 18.174 19.000 -1.055 0.000 1.020 735 A HN 0.479 nan 8.150 nan 0.000 0.494 736 S N 2.147 117.742 115.700 -0.175 0.000 2.501 736 S HA 0.593 5.063 4.470 -0.001 0.000 0.301 736 S C -2.696 171.866 174.600 -0.062 0.000 1.096 736 S CA -1.024 57.127 58.200 -0.082 0.000 1.063 736 S CB 1.322 64.497 63.200 -0.043 0.000 1.042 736 S HN 0.572 nan 8.310 nan 0.000 0.494 737 P HA 0.116 nan 4.420 nan 0.000 0.269 737 P C -0.811 176.498 177.300 0.015 0.000 1.209 737 P CA -0.351 62.746 63.100 -0.004 0.000 0.776 737 P CB 0.339 32.042 31.700 0.006 0.000 0.876 738 V N 3.525 123.465 119.914 0.042 0.000 2.555 738 V HA 0.014 4.134 4.120 -0.001 0.000 0.286 738 V C 0.837 176.954 176.094 0.037 0.000 1.044 738 V CA 0.095 62.420 62.300 0.043 0.000 1.026 738 V CB -0.012 31.849 31.823 0.064 0.000 0.981 738 V HN 0.521 nan 8.190 nan 0.000 0.480 739 E N 4.418 124.634 120.200 0.027 0.000 2.257 739 E HA 0.155 4.504 4.350 -0.001 0.000 0.278 739 E C 0.463 177.080 176.600 0.027 0.000 1.049 739 E CA -0.168 56.248 56.400 0.028 0.000 0.876 739 E CB 0.815 30.529 29.700 0.024 0.000 1.035 739 E HN 0.556 nan 8.360 nan 0.000 0.419 740 L N 2.854 124.097 121.223 0.033 0.000 2.509 740 L HA 0.130 4.469 4.340 -0.001 0.000 0.222 740 L C 1.349 178.240 176.870 0.035 0.000 1.123 740 L CA 0.299 55.158 54.840 0.031 0.000 0.856 740 L CB -0.710 41.374 42.059 0.042 0.000 0.985 740 L HN 0.851 nan 8.230 nan 0.000 0.456 741 G N 0.862 109.684 108.800 0.037 0.000 2.564 741 G HA2 -0.399 3.560 3.960 -0.001 0.000 0.273 741 G HA3 -0.399 3.560 3.960 -0.001 0.000 0.273 741 G C 0.008 174.933 174.900 0.042 0.000 1.242 741 G CA 0.137 45.261 45.100 0.039 0.000 0.951 741 G HN 0.358 nan 8.290 nan 0.000 0.564 742 Q N 1.572 121.399 119.800 0.045 0.000 2.644 742 Q HA 0.447 4.787 4.340 -0.001 0.000 0.245 742 Q C -2.026 174.009 176.000 0.058 0.000 1.064 742 Q CA -1.645 54.187 55.803 0.048 0.000 0.860 742 Q CB 1.091 29.854 28.738 0.041 0.000 1.145 742 Q HN 0.632 nan 8.270 nan 0.000 0.515 743 P HA 0.004 nan 4.420 nan 0.000 0.269 743 P C -0.452 176.908 177.300 0.100 0.000 1.215 743 P CA -0.188 62.958 63.100 0.076 0.000 0.780 743 P CB 1.116 32.847 31.700 0.052 0.000 0.898 744 V N 2.938 122.945 119.914 0.156 0.000 2.488 744 V HA 0.104 4.223 4.120 -0.001 0.000 0.277 744 V C 0.588 176.823 176.094 0.234 0.000 1.046 744 V CA -0.210 62.202 62.300 0.188 0.000 0.986 744 V CB 1.236 33.204 31.823 0.243 0.000 0.989 744 V HN 0.281 nan 8.190 nan 0.000 0.475 745 V N 6.505 126.500 119.914 0.135 0.000 2.448 745 V HA 0.457 4.576 4.120 -0.001 0.000 0.295 745 V C -0.385 175.716 176.094 0.013 0.000 1.025 745 V CA -0.631 61.728 62.300 0.098 0.000 0.859 745 V CB 1.681 33.522 31.823 0.030 0.000 0.988 745 V HN 0.675 nan 8.190 nan 0.000 0.431 746 L N 6.841 128.071 121.223 0.011 0.000 2.305 746 L HA 0.731 5.070 4.340 -0.001 0.000 0.284 746 L C -0.617 176.125 176.870 -0.214 0.000 1.013 746 L CA 0.058 54.772 54.840 -0.211 0.000 0.819 746 L CB 1.707 43.533 42.059 -0.389 0.000 1.227 746 L HN 0.432 nan 8.230 nan 0.000 0.417 747 V N 4.196 123.971 119.914 -0.231 0.000 2.384 747 V HA 0.552 4.672 4.120 -0.001 0.000 0.287 747 V C -0.008 176.001 176.094 -0.142 0.000 1.020 747 V CA -0.391 61.798 62.300 -0.186 0.000 0.850 747 V CB 1.624 33.353 31.823 -0.155 0.000 0.987 747 V HN 0.852 nan 8.190 nan 0.000 0.436 748 T N 5.328 119.828 114.554 -0.089 0.000 2.792 748 T HA 0.456 4.805 4.350 -0.001 0.000 0.280 748 T C -0.434 174.283 174.700 0.029 0.000 0.990 748 T CA -0.581 61.524 62.100 0.008 0.000 0.960 748 T CB 1.199 70.114 68.868 0.078 0.000 0.939 748 T HN 0.673 nan 8.240 nan 0.000 0.439 749 K N 2.333 122.768 120.400 0.058 0.000 2.413 749 K HA 0.693 5.012 4.320 -0.001 0.000 0.257 749 K C -0.351 176.301 176.600 0.087 0.000 0.946 749 K CA -0.590 55.733 56.287 0.060 0.000 0.823 749 K CB 1.049 33.576 32.500 0.046 0.000 1.109 749 K HN 0.776 nan 8.250 nan 0.000 0.427 750 G N 2.166 111.015 108.800 0.081 0.000 2.658 750 G HA2 0.185 4.144 3.960 -0.001 0.000 0.292 750 G HA3 0.185 4.144 3.960 -0.001 0.000 0.292 750 G C -0.310 174.631 174.900 0.067 0.000 1.320 750 G CA -0.640 44.511 45.100 0.084 0.000 0.933 750 G HN 0.662 nan 8.290 nan 0.000 0.476 751 K N -0.458 119.978 120.400 0.060 0.000 2.155 751 K HA 0.168 4.488 4.320 -0.001 0.000 0.203 751 K C 1.656 178.289 176.600 0.055 0.000 1.052 751 K CA 0.854 57.173 56.287 0.053 0.000 0.948 751 K CB -0.129 32.399 32.500 0.046 0.000 0.728 751 K HN 0.424 nan 8.250 nan 0.000 0.448 752 L N -0.579 120.678 121.223 0.057 0.000 2.425 752 L HA 0.222 4.562 4.340 -0.001 0.000 0.215 752 L C 0.531 177.435 176.870 0.056 0.000 1.065 752 L CA 0.071 54.946 54.840 0.058 0.000 0.842 752 L CB 0.393 42.490 42.059 0.063 0.000 1.033 752 L HN 0.147 nan 8.230 nan 0.000 0.474 753 E N -0.196 120.042 120.200 0.062 0.000 2.321 753 E HA 0.401 4.750 4.350 -0.001 0.000 0.281 753 E C -1.469 175.173 176.600 0.069 0.000 0.910 753 E CA -0.213 56.224 56.400 0.063 0.000 0.770 753 E CB 2.132 31.869 29.700 0.061 0.000 1.225 753 E HN -0.112 nan 8.360 nan 0.000 0.417 754 S N 1.252 116.990 115.700 0.063 0.000 2.634 754 S HA 0.809 5.278 4.470 -0.001 0.000 0.296 754 S C -1.220 173.401 174.600 0.035 0.000 1.104 754 S CA -0.645 57.586 58.200 0.052 0.000 0.920 754 S CB 1.781 65.012 63.200 0.051 0.000 1.111 754 S HN 0.642 nan 8.310 nan 0.000 0.493 755 S N -0.315 115.381 115.700 -0.007 0.000 2.587 755 S HA 0.727 5.196 4.470 -0.001 0.000 0.269 755 S C -1.862 172.642 174.600 -0.160 0.000 1.154 755 S CA -0.730 57.442 58.200 -0.047 0.000 0.824 755 S CB 1.002 64.198 63.200 -0.007 0.000 1.118 755 S HN 0.485 nan 8.310 nan 0.000 0.462 756 V N 1.837 121.599 119.914 -0.253 0.000 2.525 756 V HA 0.735 4.854 4.120 -0.001 0.000 0.299 756 V C -0.576 175.382 176.094 -0.228 0.000 1.034 756 V CA -0.402 61.675 62.300 -0.373 0.000 0.863 756 V CB 1.655 32.940 31.823 -0.896 0.000 0.999 756 V HN 0.993 nan 8.190 nan 0.000 0.423 757 S N 3.252 118.876 115.700 -0.127 0.000 2.513 757 S HA 0.809 5.279 4.470 -0.001 0.000 0.299 757 S C -0.818 173.731 174.600 -0.085 0.000 1.087 757 S CA -0.651 57.490 58.200 -0.099 0.000 1.012 757 S CB 2.173 65.424 63.200 0.086 0.000 1.044 757 S HN 0.687 nan 8.310 nan 0.000 0.485 758 V N 1.883 121.618 119.914 -0.299 0.000 2.808 758 V HA 0.820 4.939 4.120 -0.001 0.000 0.308 758 V C -0.115 175.619 176.094 -0.601 0.000 1.099 758 V CA -0.437 61.700 62.300 -0.272 0.000 0.920 758 V CB 1.857 33.652 31.823 -0.047 0.000 1.014 758 V HN 0.998 nan 8.190 nan 0.000 0.425 759 G N 6.815 115.293 108.800 -0.536 0.000 2.546 759 G HA2 0.548 4.507 3.960 -0.001 0.000 0.320 759 G HA3 0.548 4.507 3.960 -0.001 0.000 0.320 759 G C -0.615 174.192 174.900 -0.154 0.000 0.984 759 G CA -0.322 44.530 45.100 -0.414 0.000 1.183 759 G HN 0.710 nan 8.290 nan 0.000 0.443 760 L N 2.763 123.853 121.223 -0.221 0.000 2.365 760 L HA 0.428 4.768 4.340 -0.001 0.000 0.267 760 L C -2.112 174.673 176.870 -0.143 0.000 1.033 760 L CA -2.428 52.310 54.840 -0.171 0.000 0.802 760 L CB 2.037 43.921 42.059 -0.291 0.000 1.267 760 L HN 0.197 nan 8.230 nan 0.000 0.457 761 P HA 0.106 nan 4.420 nan 0.000 0.266 761 P C 0.023 177.254 177.300 -0.115 0.000 1.215 761 P CA 0.452 63.512 63.100 -0.067 0.000 0.763 761 P CB 1.055 32.735 31.700 -0.034 0.000 0.806 762 S N 0.069 115.708 115.700 -0.102 0.000 2.691 762 S HA -0.105 4.365 4.470 -0.001 0.000 0.262 762 S C 0.176 174.685 174.600 -0.153 0.000 1.284 762 S CA 1.251 59.389 58.200 -0.104 0.000 1.372 762 S CB -1.303 61.853 63.200 -0.073 0.000 1.693 762 S HN 0.380 nan 8.310 nan 0.000 0.647 763 V N 1.235 121.004 119.914 -0.241 0.000 2.711 763 V HA 0.479 4.598 4.120 -0.001 0.000 0.304 763 V C -0.339 175.542 176.094 -0.354 0.000 1.097 763 V CA -0.786 61.326 62.300 -0.314 0.000 0.906 763 V CB 2.130 33.616 31.823 -0.562 0.000 1.015 763 V HN 0.077 nan 8.190 nan 0.000 0.427 764 V N 3.980 123.690 119.914 -0.340 0.000 2.348 764 V HA 0.336 4.455 4.120 -0.001 0.000 0.270 764 V C -0.212 175.673 176.094 -0.349 0.000 1.037 764 V CA -0.388 61.597 62.300 -0.525 0.000 0.872 764 V CB 0.883 32.282 31.823 -0.706 0.000 1.002 764 V HN 0.927 nan 8.190 nan 0.000 0.464 765 H N 4.810 123.629 119.070 -0.418 0.000 2.489 765 H HA 0.622 5.177 4.556 -0.001 0.000 0.322 765 H C -0.401 174.811 175.328 -0.193 0.000 1.091 765 H CA -0.284 55.620 56.048 -0.240 0.000 1.291 765 H CB 1.028 30.682 29.762 -0.181 0.000 1.436 765 H HN 0.678 nan 8.280 nan 0.000 0.480 766 Q N 3.256 122.738 119.800 -0.529 0.000 2.323 766 Q HA 0.380 4.719 4.340 -0.001 0.000 0.271 766 Q C -1.100 174.696 176.000 -0.341 0.000 1.048 766 Q CA -0.930 54.655 55.803 -0.364 0.000 0.792 766 Q CB 2.420 31.055 28.738 -0.171 0.000 1.280 766 Q HN 0.612 nan 8.270 nan 0.000 0.441 767 T N 3.083 117.515 114.554 -0.202 0.000 2.772 767 T HA 0.573 4.923 4.350 -0.001 0.000 0.288 767 T C -0.310 174.415 174.700 0.042 0.000 0.994 767 T CA -0.390 61.709 62.100 -0.002 0.000 0.951 767 T CB 0.246 69.283 68.868 0.282 0.000 0.933 767 T HN 0.369 nan 8.240 nan 0.000 0.447 768 I N 3.731 124.338 120.570 0.061 0.000 2.441 768 I HA 0.499 4.668 4.170 -0.001 0.000 0.295 768 I C -0.163 176.006 176.117 0.087 0.000 0.994 768 I CA -0.771 60.566 61.300 0.061 0.000 1.144 768 I CB 1.677 39.704 38.000 0.045 0.000 1.314 768 I HN 0.383 nan 8.210 nan 0.000 0.445 769 M N 5.861 125.511 119.600 0.084 0.000 2.253 769 M HA 0.492 4.972 4.480 -0.001 0.000 0.314 769 M C 0.158 176.498 176.300 0.067 0.000 1.019 769 M CA -0.328 55.025 55.300 0.087 0.000 0.932 769 M CB 2.191 34.856 32.600 0.109 0.000 1.606 769 M HN 0.478 nan 8.290 nan 0.000 0.430 770 R N 1.185 121.720 120.500 0.058 0.000 2.572 770 R HA 0.368 4.708 4.340 -0.001 0.000 0.370 770 R C 0.761 177.088 176.300 0.045 0.000 1.005 770 R CA 0.255 56.383 56.100 0.048 0.000 1.146 770 R CB 1.187 31.508 30.300 0.036 0.000 1.390 770 R HN 1.143 nan 8.270 nan 0.000 0.553 771 G N -0.245 108.584 108.800 0.048 0.000 2.284 771 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.201 771 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.201 771 G C 0.290 175.211 174.900 0.035 0.000 0.998 771 G CA -0.388 44.737 45.100 0.042 0.000 0.651 771 G HN 0.518 nan 8.290 nan 0.000 0.489 772 G N -0.044 108.778 108.800 0.036 0.000 3.247 772 G HA2 0.785 4.744 3.960 -0.001 0.000 0.199 772 G HA3 0.785 4.744 3.960 -0.001 0.000 0.199 772 G C 0.397 175.317 174.900 0.034 0.000 1.172 772 G CA 0.468 45.585 45.100 0.029 0.000 0.844 772 G HN 1.530 nan 8.290 nan 0.000 0.619 773 A N 1.538 124.375 122.820 0.030 0.000 2.565 773 A HA 0.501 4.820 4.320 -0.001 0.000 0.237 773 A C -1.654 175.967 177.584 0.061 0.000 1.053 773 A CA -0.355 51.704 52.037 0.038 0.000 0.755 773 A CB -0.455 18.566 19.000 0.034 0.000 0.980 773 A HN 0.407 nan 8.150 nan 0.000 0.506 774 P HA 0.156 nan 4.420 nan 0.000 0.274 774 P C -0.505 176.866 177.300 0.118 0.000 1.246 774 P CA -0.250 62.913 63.100 0.105 0.000 0.795 774 P CB 0.768 32.550 31.700 0.136 0.000 1.006 775 E N 1.210 121.477 120.200 0.112 0.000 2.191 775 E HA 0.414 4.764 4.350 -0.001 0.000 0.274 775 E C -0.869 175.809 176.600 0.130 0.000 0.948 775 E CA -0.738 55.733 56.400 0.119 0.000 0.802 775 E CB 0.684 30.431 29.700 0.080 0.000 1.137 775 E HN 0.222 nan 8.360 nan 0.000 0.397 776 I N 3.915 124.597 120.570 0.188 0.000 2.433 776 I HA 0.425 4.595 4.170 -0.001 0.000 0.292 776 I C -0.099 176.146 176.117 0.213 0.000 1.001 776 I CA -0.652 60.736 61.300 0.147 0.000 1.119 776 I CB 1.422 39.519 38.000 0.162 0.000 1.289 776 I HN 0.589 nan 8.210 nan 0.000 0.438 777 R N 4.479 125.031 120.500 0.087 0.000 2.561 777 R HA 0.492 4.831 4.340 -0.001 0.000 0.297 777 R C -0.980 175.379 176.300 0.099 0.000 0.969 777 R CA -0.871 55.299 56.100 0.118 0.000 0.879 777 R CB 2.144 32.468 30.300 0.041 0.000 1.178 777 R HN 0.458 nan 8.270 nan 0.000 0.445 778 N N 2.589 121.412 118.700 0.204 0.000 2.443 778 N HA 0.185 4.924 4.740 -0.001 0.000 0.269 778 N C -1.249 174.286 175.510 0.042 0.000 0.985 778 N CA -0.690 52.457 53.050 0.162 0.000 0.921 778 N CB 1.837 40.528 38.487 0.339 0.000 1.195 778 N HN 0.323 nan 8.380 nan 0.000 0.492 779 L N 3.962 125.149 121.223 -0.059 0.000 2.302 779 L HA 0.351 4.691 4.340 -0.001 0.000 0.285 779 L C -0.966 175.845 176.870 -0.099 0.000 1.090 779 L CA -0.474 54.311 54.840 -0.091 0.000 0.866 779 L CB 0.289 42.280 42.059 -0.113 0.000 1.244 779 L HN 0.204 nan 8.230 nan 0.000 0.435 780 V N 4.519 124.377 119.914 -0.094 0.000 2.385 780 V HA 0.343 4.463 4.120 -0.001 0.000 0.269 780 V C -0.290 175.772 176.094 -0.055 0.000 1.043 780 V CA -0.440 61.821 62.300 -0.065 0.000 0.906 780 V CB 1.161 32.975 31.823 -0.016 0.000 0.995 780 V HN 0.678 nan 8.190 nan 0.000 0.467 781 D N 4.101 124.472 120.400 -0.049 0.000 2.375 781 D HA 0.253 4.892 4.640 -0.001 0.000 0.259 781 D C 0.495 176.778 176.300 -0.029 0.000 1.235 781 D CA -0.408 53.570 54.000 -0.036 0.000 0.924 781 D CB 1.267 42.042 40.800 -0.042 0.000 1.143 781 D HN 0.475 nan 8.370 nan 0.000 0.529 782 I N 2.336 122.904 120.570 -0.004 0.000 3.334 782 I HA 0.055 4.224 4.170 -0.001 0.000 0.282 782 I C 1.469 177.583 176.117 -0.005 0.000 1.313 782 I CA 0.902 62.206 61.300 0.007 0.000 1.396 782 I CB -0.305 37.718 38.000 0.038 0.000 1.054 782 I HN 0.593 nan 8.210 nan 0.000 0.495 783 G N 1.154 109.944 108.800 -0.017 0.000 2.698 783 G HA2 -0.497 3.462 3.960 -0.001 0.000 0.337 783 G HA3 -0.497 3.462 3.960 -0.001 0.000 0.337 783 G C 0.700 175.593 174.900 -0.012 0.000 1.286 783 G CA 0.764 45.848 45.100 -0.026 0.000 1.000 783 G HN 0.711 nan 8.290 nan 0.000 0.547 784 S N -0.184 115.506 115.700 -0.017 0.000 2.601 784 S HA 0.541 5.010 4.470 -0.001 0.000 0.244 784 S C 0.733 175.335 174.600 0.003 0.000 1.001 784 S CA 0.011 58.208 58.200 -0.004 0.000 0.984 784 S CB 0.034 63.230 63.200 -0.007 0.000 0.842 784 S HN 0.647 nan 8.310 nan 0.000 0.474 785 L N 3.030 124.257 121.223 0.005 0.000 2.505 785 L HA 0.275 4.615 4.340 -0.001 0.000 0.279 785 L C -0.279 176.608 176.870 0.028 0.000 1.211 785 L CA -0.338 54.511 54.840 0.015 0.000 1.059 785 L CB -0.624 41.445 42.059 0.016 0.000 1.340 785 L HN 0.165 nan 8.230 nan 0.000 0.447 786 D N 2.830 123.246 120.400 0.027 0.000 2.400 786 D HA -0.019 4.621 4.640 -0.001 0.000 0.238 786 D C 0.722 177.047 176.300 0.042 0.000 1.157 786 D CA 0.214 54.234 54.000 0.034 0.000 0.889 786 D CB 0.325 41.142 40.800 0.028 0.000 1.199 786 D HN 0.327 nan 8.370 nan 0.000 0.436 787 N N 0.465 119.195 118.700 0.049 0.000 2.705 787 N HA -0.179 4.561 4.740 -0.001 0.000 0.255 787 N C -0.901 174.654 175.510 0.075 0.000 1.008 787 N CA 0.873 53.958 53.050 0.059 0.000 0.742 787 N CB -1.067 37.449 38.487 0.049 0.000 0.906 787 N HN 0.291 nan 8.380 nan 0.000 0.541 788 T N 0.399 115.001 114.554 0.081 0.000 2.893 788 T HA 0.447 4.796 4.350 -0.001 0.000 0.293 788 T C -0.258 174.511 174.700 0.115 0.000 1.027 788 T CA -0.696 61.462 62.100 0.098 0.000 0.988 788 T CB 2.457 71.368 68.868 0.073 0.000 1.043 788 T HN 0.024 nan 8.240 nan 0.000 0.461 789 E N 2.194 122.491 120.200 0.161 0.000 2.218 789 E HA 0.413 4.762 4.350 -0.001 0.000 0.263 789 E C -0.797 175.923 176.600 0.200 0.000 0.879 789 E CA -0.560 55.936 56.400 0.159 0.000 0.762 789 E CB 2.245 32.026 29.700 0.135 0.000 1.166 789 E HN 0.490 nan 8.360 nan 0.000 0.415 790 I N 2.845 123.518 120.570 0.171 0.000 2.342 790 I HA 0.248 4.418 4.170 -0.001 0.000 0.291 790 I C -0.150 176.109 176.117 0.237 0.000 1.010 790 I CA -0.725 60.690 61.300 0.192 0.000 1.308 790 I CB 1.322 39.426 38.000 0.173 0.000 1.400 790 I HN 0.183 nan 8.210 nan 0.000 0.488 791 V N 8.041 128.096 119.914 0.235 0.000 2.769 791 V HA 0.541 4.661 4.120 -0.001 0.000 0.312 791 V C -0.610 175.538 176.094 0.090 0.000 1.061 791 V CA -0.737 61.691 62.300 0.213 0.000 0.931 791 V CB 2.095 34.092 31.823 0.289 0.000 1.010 791 V HN 0.766 nan 8.190 nan 0.000 0.433 792 M N 6.969 126.551 119.600 -0.030 0.000 2.227 792 M HA 0.606 5.085 4.480 -0.001 0.000 0.335 792 M C -0.729 175.448 176.300 -0.204 0.000 1.053 792 M CA -0.510 54.553 55.300 -0.395 0.000 0.973 792 M CB 0.899 33.248 32.600 -0.418 0.000 1.623 792 M HN 0.780 nan 8.290 nan 0.000 0.434 793 R N 4.499 124.866 120.500 -0.221 0.000 2.740 793 R HA 0.746 5.086 4.340 -0.001 0.000 0.282 793 R C -2.046 174.191 176.300 -0.104 0.000 0.969 793 R CA -0.641 55.393 56.100 -0.109 0.000 0.918 793 R CB 1.674 31.924 30.300 -0.083 0.000 1.175 793 R HN 0.819 nan 8.270 nan 0.000 0.464 794 L N 3.023 124.158 121.223 -0.147 0.000 2.333 794 L HA 0.437 4.777 4.340 -0.001 0.000 0.280 794 L C -0.635 176.141 176.870 -0.156 0.000 1.004 794 L CA -0.474 54.214 54.840 -0.253 0.000 0.820 794 L CB 2.043 43.894 42.059 -0.347 0.000 1.247 794 L HN 0.614 nan 8.230 nan 0.000 0.416 795 E N 2.273 122.393 120.200 -0.132 0.000 2.145 795 E HA 0.518 4.867 4.350 -0.001 0.000 0.270 795 E C -0.608 175.930 176.600 -0.104 0.000 0.906 795 E CA -0.513 55.829 56.400 -0.096 0.000 0.761 795 E CB 2.118 31.754 29.700 -0.106 0.000 1.116 795 E HN 0.617 nan 8.360 nan 0.000 0.408 796 T N -1.229 113.279 114.554 -0.077 0.000 2.831 796 T HA 0.335 4.684 4.350 -0.001 0.000 0.287 796 T C 0.168 174.887 174.700 0.032 0.000 1.070 796 T CA -0.714 61.321 62.100 -0.109 0.000 1.010 796 T CB 1.077 69.902 68.868 -0.071 0.000 1.264 796 T HN 0.584 nan 8.240 nan 0.000 0.532 797 H N -0.796 118.267 119.070 -0.012 0.000 2.542 797 H HA 0.420 4.975 4.556 -0.001 0.000 0.283 797 H C 0.178 175.504 175.328 -0.002 0.000 1.059 797 H CA -0.595 55.447 56.048 -0.009 0.000 1.162 797 H CB 0.152 29.912 29.762 -0.004 0.000 1.539 797 H HN 0.327 nan 8.280 nan 0.000 0.543 798 I N 1.883 122.513 120.570 0.100 0.000 2.752 798 I HA -0.140 4.029 4.170 -0.001 0.000 0.289 798 I C 0.520 176.678 176.117 0.069 0.000 1.197 798 I CA 0.422 61.763 61.300 0.068 0.000 1.432 798 I CB 0.413 38.444 38.000 0.052 0.000 1.359 798 I HN 0.195 nan 8.210 nan 0.000 0.571 799 D N 4.633 125.069 120.400 0.061 0.000 2.741 799 D HA 0.054 4.693 4.640 -0.001 0.000 0.233 799 D C 1.164 177.502 176.300 0.064 0.000 1.160 799 D CA -0.083 53.948 54.000 0.053 0.000 1.003 799 D CB 0.359 41.183 40.800 0.041 0.000 1.064 799 D HN 0.537 nan 8.370 nan 0.000 0.503 800 S N 0.267 116.012 115.700 0.074 0.000 2.501 800 S HA 0.259 4.729 4.470 -0.001 0.000 0.220 800 S C 1.606 176.257 174.600 0.085 0.000 0.997 800 S CA 0.233 58.492 58.200 0.098 0.000 0.919 800 S CB -0.131 63.141 63.200 0.120 0.000 0.778 800 S HN 0.524 nan 8.310 nan 0.000 0.523 801 G N 3.278 112.116 108.800 0.063 0.000 2.565 801 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.295 801 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.295 801 G C 0.148 175.087 174.900 0.065 0.000 1.165 801 G CA 0.595 45.727 45.100 0.054 0.000 0.977 801 G HN 0.755 nan 8.290 nan 0.000 0.546 802 D N 0.205 120.648 120.400 0.071 0.000 2.440 802 D HA 0.347 4.986 4.640 -0.001 0.000 0.216 802 D C 0.653 177.035 176.300 0.135 0.000 1.150 802 D CA -0.215 53.844 54.000 0.098 0.000 0.832 802 D CB 0.248 41.091 40.800 0.072 0.000 0.992 802 D HN 0.432 nan 8.370 nan 0.000 0.502 803 I N 1.511 122.147 120.570 0.111 0.000 2.412 803 I HA 0.496 4.665 4.170 -0.001 0.000 0.296 803 I C -0.127 176.081 176.117 0.151 0.000 0.987 803 I CA -1.138 60.178 61.300 0.027 0.000 1.180 803 I CB 0.624 38.608 38.000 -0.027 0.000 1.340 803 I HN 0.008 nan 8.210 nan 0.000 0.455 804 F N 4.307 124.088 119.950 -0.283 0.000 2.711 804 F HA 0.688 5.215 4.527 -0.001 0.000 0.313 804 F C -2.030 173.433 175.800 -0.561 0.000 1.141 804 F CA -1.164 56.695 58.000 -0.234 0.000 0.941 804 F CB 1.536 40.460 39.000 -0.127 0.000 1.349 804 F HN 0.166 nan 8.300 nan 0.000 0.464 805 Y N 0.169 120.199 120.300 -0.449 0.000 2.462 805 Y HA 0.701 5.250 4.550 -0.001 0.000 0.346 805 Y C -0.003 175.710 175.900 -0.312 0.000 0.976 805 Y CA -0.783 56.937 58.100 -0.633 0.000 1.044 805 Y CB 2.445 40.159 38.460 -1.243 0.000 1.230 805 Y HN 0.859 nan 8.280 nan 0.000 0.455 806 T N -1.402 113.067 114.554 -0.141 0.000 2.896 806 T HA 0.480 4.829 4.350 -0.001 0.000 0.297 806 T C -1.127 173.371 174.700 -0.336 0.000 1.108 806 T CA -1.085 60.951 62.100 -0.107 0.000 1.004 806 T CB 2.053 70.833 68.868 -0.147 0.000 1.159 806 T HN 0.580 nan 8.240 nan 0.000 0.499 807 D N 1.170 121.211 120.400 -0.600 0.000 2.340 807 D HA 0.379 5.019 4.640 -0.001 0.000 0.251 807 D C -0.596 175.426 176.300 -0.464 0.000 1.080 807 D CA -0.837 52.621 54.000 -0.903 0.000 0.971 807 D CB 1.257 41.282 40.800 -1.291 0.000 1.137 807 D HN 0.563 nan 8.370 nan 0.000 0.475 808 L N 0.919 121.918 121.223 -0.373 0.000 2.316 808 L HA 0.219 4.558 4.340 -0.001 0.000 0.280 808 L C -0.209 176.540 176.870 -0.201 0.000 1.006 808 L CA -0.810 53.903 54.840 -0.212 0.000 0.836 808 L CB 0.407 42.406 42.059 -0.100 0.000 1.221 808 L HN 0.446 nan 8.230 nan 0.000 0.418 809 N N 2.184 120.768 118.700 -0.193 0.000 2.721 809 N HA -0.225 4.515 4.740 -0.001 0.000 0.249 809 N C 0.996 176.294 175.510 -0.353 0.000 1.072 809 N CA 0.865 53.796 53.050 -0.199 0.000 0.710 809 N CB -1.065 37.385 38.487 -0.062 0.000 0.993 809 N HN 1.068 nan 8.380 nan 0.000 0.547 810 G N -1.521 107.072 108.800 -0.346 0.000 2.187 810 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.261 810 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.261 810 G C 0.659 175.542 174.900 -0.030 0.000 1.000 810 G CA 0.785 45.717 45.100 -0.281 0.000 0.718 810 G HN 0.527 nan 8.290 nan 0.000 0.519 811 L N -0.689 120.463 121.223 -0.119 0.000 2.467 811 L HA 0.488 4.828 4.340 -0.001 0.000 0.213 811 L C 0.990 177.750 176.870 -0.183 0.000 1.053 811 L CA 1.829 56.523 54.840 -0.243 0.000 0.847 811 L CB 0.164 41.928 42.059 -0.492 0.000 1.075 811 L HN 0.686 nan 8.230 nan 0.000 0.479 812 Q N -1.863 117.834 119.800 -0.171 0.000 2.534 812 Q HA 0.357 4.696 4.340 -0.001 0.000 0.290 812 Q C -1.661 174.226 176.000 -0.187 0.000 0.991 812 Q CA -0.770 54.993 55.803 -0.066 0.000 0.783 812 Q CB 1.138 29.896 28.738 0.034 0.000 1.470 812 Q HN -0.045 nan 8.270 nan 0.000 0.406 813 F N 1.110 121.013 119.950 -0.079 0.000 2.458 813 F HA 0.601 5.128 4.527 -0.001 0.000 0.336 813 F C -0.244 175.517 175.800 -0.065 0.000 1.114 813 F CA -0.829 57.137 58.000 -0.057 0.000 0.987 813 F CB 1.711 40.716 39.000 0.010 0.000 1.130 813 F HN 0.518 nan 8.300 nan 0.000 0.458 814 I N 3.841 124.403 120.570 -0.013 0.000 2.474 814 I HA 0.336 4.506 4.170 -0.001 0.000 0.294 814 I C -0.510 175.449 176.117 -0.262 0.000 1.005 814 I CA -0.884 60.360 61.300 -0.094 0.000 1.113 814 I CB 1.299 39.197 38.000 -0.169 0.000 1.289 814 I HN 0.504 nan 8.210 nan 0.000 0.436 815 K N 6.884 127.081 120.400 -0.337 0.000 2.379 815 K HA 0.278 4.597 4.320 -0.001 0.000 0.284 815 K C -0.842 175.281 176.600 -0.795 0.000 1.044 815 K CA -0.379 55.416 56.287 -0.820 0.000 0.974 815 K CB 0.521 32.685 32.500 -0.560 0.000 0.962 815 K HN 0.508 nan 8.250 nan 0.000 0.474 816 R N 3.228 123.070 120.500 -1.096 0.000 2.732 816 R HA 0.363 4.703 4.340 -0.001 0.000 0.278 816 R C -0.531 175.257 176.300 -0.854 0.000 0.976 816 R CA -0.798 54.601 56.100 -1.169 0.000 0.963 816 R CB 1.581 30.632 30.300 -2.081 0.000 1.150 816 R HN 0.672 nan 8.270 nan 0.000 0.478 817 R N 1.564 121.789 120.500 -0.457 0.000 2.483 817 R HA 0.264 4.603 4.340 -0.001 0.000 0.303 817 R C -0.541 175.811 176.300 0.088 0.000 0.987 817 R CA -0.637 55.377 56.100 -0.143 0.000 0.881 817 R CB 1.447 31.698 30.300 -0.083 0.000 1.177 817 R HN 0.544 nan 8.270 nan 0.000 0.451 818 R N 5.028 125.685 120.500 0.262 0.000 2.484 818 R HA 0.095 4.435 4.340 -0.001 0.000 0.293 818 R C -0.958 175.426 176.300 0.140 0.000 1.023 818 R CA 0.292 56.570 56.100 0.297 0.000 1.037 818 R CB 0.377 30.820 30.300 0.239 0.000 0.951 818 R HN 0.538 nan 8.270 nan 0.000 0.418 819 L N 5.168 126.450 121.223 0.099 0.000 2.316 819 L HA 0.212 4.551 4.340 -0.001 0.000 0.280 819 L C 0.269 177.129 176.870 -0.016 0.000 1.006 819 L CA -0.670 54.184 54.840 0.023 0.000 0.836 819 L CB 1.938 43.979 42.059 -0.029 0.000 1.221 819 L HN 0.658 nan 8.230 nan 0.000 0.418 820 D N 1.677 122.075 120.400 -0.004 0.000 2.348 820 D HA -0.118 4.521 4.640 -0.001 0.000 0.216 820 D C 1.681 177.962 176.300 -0.032 0.000 0.970 820 D CA 0.821 54.813 54.000 -0.013 0.000 0.889 820 D CB 0.357 41.159 40.800 0.003 0.000 0.912 820 D HN 0.559 nan 8.370 nan 0.000 0.524 821 K N 0.232 120.605 120.400 -0.044 0.000 2.504 821 K HA 0.017 4.337 4.320 -0.001 0.000 0.195 821 K C 0.677 177.219 176.600 -0.096 0.000 1.036 821 K CA 0.349 56.608 56.287 -0.046 0.000 0.984 821 K CB 0.324 32.810 32.500 -0.024 0.000 0.788 821 K HN 0.106 nan 8.250 nan 0.000 0.488 822 L N 2.370 123.500 121.223 -0.154 0.000 2.330 822 L HA 0.456 4.796 4.340 -0.001 0.000 0.271 822 L C -2.239 174.528 176.870 -0.172 0.000 1.013 822 L CA -2.911 51.799 54.840 -0.217 0.000 0.816 822 L CB 1.495 43.328 42.059 -0.377 0.000 1.287 822 L HN -0.052 nan 8.230 nan 0.000 0.435 823 P HA 0.010 nan 4.420 nan 0.000 0.272 823 P C 0.879 178.048 177.300 -0.218 0.000 1.230 823 P CA -0.324 62.679 63.100 -0.162 0.000 0.788 823 P CB 1.332 32.964 31.700 -0.113 0.000 0.949 824 L N 1.228 122.353 121.223 -0.163 0.000 2.034 824 L HA -0.293 4.047 4.340 -0.001 0.000 0.217 824 L C 2.568 179.346 176.870 -0.153 0.000 1.077 824 L CA 2.022 56.786 54.840 -0.125 0.000 0.769 824 L CB -0.643 41.335 42.059 -0.135 0.000 0.890 824 L HN 0.452 nan 8.230 nan 0.000 0.435 825 Q N -0.410 119.188 119.800 -0.337 0.000 2.291 825 Q HA -0.175 4.165 4.340 -0.001 0.000 0.206 825 Q C 1.878 177.782 176.000 -0.159 0.000 0.976 825 Q CA 1.540 57.177 55.803 -0.277 0.000 0.875 825 Q CB -0.525 27.967 28.738 -0.410 0.000 0.927 825 Q HN 0.618 nan 8.270 nan 0.000 0.450 826 A N 1.533 124.051 122.820 -0.502 0.000 2.067 826 A HA -0.032 4.288 4.320 -0.001 0.000 0.217 826 A C 1.634 179.037 177.584 -0.302 0.000 1.156 826 A CA 0.679 52.263 52.037 -0.754 0.000 0.683 826 A CB -0.185 17.956 19.000 -1.431 0.000 0.808 826 A HN 0.355 nan 8.150 nan 0.000 0.455 827 N N -1.010 117.622 118.700 -0.113 0.000 2.383 827 N HA 0.045 4.784 4.740 -0.001 0.000 0.192 827 N C -0.896 174.682 175.510 0.114 0.000 1.141 827 N CA 0.223 53.314 53.050 0.067 0.000 0.851 827 N CB 0.058 38.634 38.487 0.148 0.000 0.976 827 N HN 0.461 nan 8.380 nan 0.000 0.465 828 Y N 0.249 120.491 120.300 -0.096 0.000 2.304 828 Y HA 0.221 4.771 4.550 -0.001 0.000 0.328 828 Y C -0.188 175.649 175.900 -0.105 0.000 1.123 828 Y CA -0.193 57.941 58.100 0.056 0.000 1.218 828 Y CB 0.444 39.017 38.460 0.188 0.000 1.207 828 Y HN -0.064 nan 8.280 nan 0.000 0.495 829 Y N 3.287 123.727 120.300 0.234 0.000 2.605 829 Y HA 0.467 5.016 4.550 -0.001 0.000 0.343 829 Y C -2.326 173.276 175.900 -0.496 0.000 1.036 829 Y CA -2.867 55.221 58.100 -0.020 0.000 1.065 829 Y CB 1.534 39.971 38.460 -0.039 0.000 1.288 829 Y HN 0.450 nan 8.280 nan 0.000 0.481 830 P HA 0.150 nan 4.420 nan 0.000 0.271 830 P C -0.753 176.305 177.300 -0.403 0.000 1.216 830 P CA 0.141 62.651 63.100 -0.984 0.000 0.776 830 P CB 0.584 31.621 31.700 -1.105 0.000 0.881 831 I N 4.963 125.382 120.570 -0.253 0.000 2.697 831 I HA 0.167 4.337 4.170 -0.001 0.000 0.279 831 I C -1.636 174.410 176.117 -0.118 0.000 1.171 831 I CA -2.540 58.684 61.300 -0.126 0.000 1.135 831 I CB 0.803 38.789 38.000 -0.022 0.000 1.445 831 I HN 0.215 nan 8.210 nan 0.000 0.541 832 P HA -0.071 nan 4.420 nan 0.000 0.221 832 P C 0.949 178.217 177.300 -0.053 0.000 1.150 832 P CA 1.241 64.266 63.100 -0.125 0.000 0.800 832 P CB 0.622 32.217 31.700 -0.175 0.000 0.787 833 S N -3.534 112.141 115.700 -0.042 0.000 2.551 833 S HA 0.442 4.912 4.470 -0.001 0.000 0.276 833 S C 0.485 175.173 174.600 0.147 0.000 1.051 833 S CA 0.273 58.505 58.200 0.054 0.000 1.377 833 S CB 0.258 63.512 63.200 0.090 0.000 1.208 833 S HN 0.344 nan 8.310 nan 0.000 0.656 834 G N 1.671 110.558 108.800 0.145 0.000 2.519 834 G HA2 0.551 4.510 3.960 -0.001 0.000 0.292 834 G HA3 0.551 4.510 3.960 -0.001 0.000 0.292 834 G C -1.407 173.742 174.900 0.414 0.000 1.507 834 G CA -0.421 44.891 45.100 0.354 0.000 0.806 834 G HN 0.895 nan 8.290 nan 0.000 0.523 835 M N -0.263 119.603 119.600 0.443 0.000 2.520 835 M HA 0.911 5.390 4.480 -0.001 0.000 0.280 835 M C -1.735 174.813 176.300 0.412 0.000 1.232 835 M CA -1.028 54.496 55.300 0.374 0.000 0.892 835 M CB 2.614 35.344 32.600 0.217 0.000 1.728 835 M HN 1.248 nan 8.290 nan 0.000 0.475 836 F N 0.987 121.086 119.950 0.249 0.000 2.713 836 F HA 0.898 5.424 4.527 -0.001 0.000 0.311 836 F C -1.954 173.979 175.800 0.221 0.000 1.141 836 F CA -1.194 56.891 58.000 0.142 0.000 0.939 836 F CB 1.059 40.057 39.000 -0.003 0.000 1.325 836 F HN 0.800 nan 8.300 nan 0.000 0.453 837 I N -0.256 120.573 120.570 0.431 0.000 2.934 837 I HA 0.908 5.078 4.170 -0.001 0.000 0.306 837 I C -1.421 174.894 176.117 0.330 0.000 1.110 837 I CA -0.933 60.573 61.300 0.343 0.000 1.019 837 I CB 2.455 40.571 38.000 0.192 0.000 1.227 837 I HN 0.974 nan 8.210 nan 0.000 0.434 838 E N 1.723 122.091 120.200 0.280 0.000 2.416 838 E HA 0.535 4.885 4.350 -0.001 0.000 0.280 838 E C -2.106 174.577 176.600 0.138 0.000 1.055 838 E CA -0.832 55.674 56.400 0.177 0.000 0.825 838 E CB 2.123 31.919 29.700 0.161 0.000 1.312 838 E HN 0.741 nan 8.360 nan 0.000 0.452 839 D N 0.347 120.798 120.400 0.085 0.000 2.808 839 D HA 0.483 5.122 4.640 -0.001 0.000 0.249 839 D C 0.854 177.183 176.300 0.048 0.000 1.151 839 D CA -0.166 53.876 54.000 0.070 0.000 1.089 839 D CB -0.047 40.787 40.800 0.056 0.000 1.295 839 D HN 0.457 nan 8.370 nan 0.000 0.631 840 A N -0.754 122.088 122.820 0.036 0.000 1.972 840 A HA -0.137 4.182 4.320 -0.001 0.000 0.219 840 A C 1.489 179.077 177.584 0.007 0.000 1.169 840 A CA 1.462 53.512 52.037 0.022 0.000 0.635 840 A CB -0.707 18.305 19.000 0.020 0.000 0.810 840 A HN 0.505 nan 8.150 nan 0.000 0.446 841 N N -1.638 117.065 118.700 0.006 0.000 2.397 841 N HA 0.066 4.805 4.740 -0.001 0.000 0.190 841 N C -0.369 175.130 175.510 -0.018 0.000 1.099 841 N CA 0.768 53.813 53.050 -0.008 0.000 0.876 841 N CB 0.597 39.081 38.487 -0.004 0.000 1.143 841 N HN 0.319 nan 8.380 nan 0.000 0.468 842 T N 0.525 115.073 114.554 -0.009 0.000 2.893 842 T HA 0.482 4.832 4.350 -0.001 0.000 0.291 842 T C -0.519 174.172 174.700 -0.014 0.000 1.028 842 T CA -0.667 61.422 62.100 -0.020 0.000 0.995 842 T CB 2.910 71.772 68.868 -0.011 0.000 1.051 842 T HN -0.029 nan 8.240 nan 0.000 0.470 843 R N 1.651 122.125 120.500 -0.044 0.000 2.686 843 R HA 0.736 5.076 4.340 -0.001 0.000 0.283 843 R C -2.031 174.242 176.300 -0.045 0.000 0.978 843 R CA -0.905 55.169 56.100 -0.044 0.000 0.897 843 R CB 1.335 31.538 30.300 -0.162 0.000 1.192 843 R HN 0.467 nan 8.270 nan 0.000 0.457 844 L N 2.563 123.791 121.223 0.009 0.000 2.376 844 L HA 0.506 4.846 4.340 -0.001 0.000 0.275 844 L C -1.385 175.522 176.870 0.061 0.000 0.987 844 L CA 0.089 54.928 54.840 -0.001 0.000 0.828 844 L CB 2.299 44.349 42.059 -0.015 0.000 1.249 844 L HN 0.650 nan 8.230 nan 0.000 0.409 845 T N 5.777 120.346 114.554 0.025 0.000 2.792 845 T HA 0.545 4.894 4.350 -0.001 0.000 0.280 845 T C -0.999 173.768 174.700 0.112 0.000 0.990 845 T CA -0.256 61.901 62.100 0.095 0.000 0.960 845 T CB 1.325 70.172 68.868 -0.034 0.000 0.939 845 T HN 0.469 nan 8.240 nan 0.000 0.439 846 L N 5.280 126.607 121.223 0.173 0.000 2.280 846 L HA 0.544 4.883 4.340 -0.001 0.000 0.287 846 L C -1.285 175.738 176.870 0.256 0.000 1.023 846 L CA -0.686 54.267 54.840 0.188 0.000 0.819 846 L CB 0.435 42.585 42.059 0.152 0.000 1.212 846 L HN 0.398 nan 8.230 nan 0.000 0.420 847 L N 4.062 125.439 121.223 0.257 0.000 2.325 847 L HA 0.639 4.979 4.340 -0.001 0.000 0.279 847 L C 0.506 177.533 176.870 0.263 0.000 1.054 847 L CA -0.229 54.758 54.840 0.246 0.000 0.804 847 L CB 1.454 43.621 42.059 0.181 0.000 1.200 847 L HN 0.787 nan 8.230 nan 0.000 0.436 848 T N -2.177 112.477 114.554 0.167 0.000 2.908 848 T HA 0.626 4.975 4.350 -0.001 0.000 0.290 848 T C 0.652 175.308 174.700 -0.074 0.000 1.034 848 T CA -0.316 61.781 62.100 -0.005 0.000 1.010 848 T CB 1.922 70.796 68.868 0.009 0.000 1.068 848 T HN 0.673 nan 8.240 nan 0.000 0.481 849 G N 1.336 110.017 108.800 -0.199 0.000 3.337 849 G HA2 0.424 4.384 3.960 -0.001 0.000 0.246 849 G HA3 0.424 4.384 3.960 -0.001 0.000 0.246 849 G C 0.150 174.987 174.900 -0.104 0.000 1.131 849 G CA -0.338 44.690 45.100 -0.120 0.000 0.773 849 G HN 0.962 nan 8.290 nan 0.000 0.544 850 Q N -0.202 119.529 119.800 -0.116 0.000 2.527 850 Q HA 0.317 4.656 4.340 -0.001 0.000 0.280 850 Q C -3.552 172.413 176.000 -0.059 0.000 0.977 850 Q CA -2.224 53.539 55.803 -0.068 0.000 0.837 850 Q CB 1.866 30.584 28.738 -0.033 0.000 1.454 850 Q HN 0.003 nan 8.270 nan 0.000 0.387 851 P HA 0.499 nan 4.420 nan 0.000 0.281 851 P C -0.701 176.589 177.300 -0.018 0.000 1.252 851 P CA -0.204 62.879 63.100 -0.029 0.000 0.778 851 P CB 1.138 32.824 31.700 -0.024 0.000 0.895 852 L N 1.548 122.756 121.223 -0.024 0.000 2.502 852 L HA 0.695 5.035 4.340 -0.001 0.000 0.253 852 L C 0.640 177.533 176.870 0.039 0.000 1.070 852 L CA -1.129 53.721 54.840 0.016 0.000 0.871 852 L CB 2.086 44.141 42.059 -0.007 0.000 1.487 852 L HN 0.356 nan 8.230 nan 0.000 0.408 853 G N -1.063 107.817 108.800 0.133 0.000 2.389 853 G HA2 0.700 4.660 3.960 -0.001 0.000 0.317 853 G HA3 0.700 4.660 3.960 -0.001 0.000 0.317 853 G C -0.630 174.329 174.900 0.099 0.000 1.137 853 G CA 0.001 45.240 45.100 0.232 0.000 0.870 853 G HN 0.852 nan 8.290 nan 0.000 0.496 854 G N -1.342 107.339 108.800 -0.198 0.000 2.606 854 G HA2 0.722 4.682 3.960 -0.001 0.000 0.300 854 G HA3 0.722 4.682 3.960 -0.001 0.000 0.300 854 G C -1.114 173.325 174.900 -0.768 0.000 1.360 854 G CA 0.428 45.207 45.100 -0.534 0.000 0.783 854 G HN 1.331 nan 8.290 nan 0.000 0.484 855 S N -2.081 113.249 115.700 -0.617 0.000 2.671 855 S HA 0.690 5.159 4.470 -0.001 0.000 0.270 855 S C -1.670 172.496 174.600 -0.723 0.000 1.166 855 S CA 0.416 58.238 58.200 -0.630 0.000 0.868 855 S CB 1.119 63.981 63.200 -0.563 0.000 1.190 855 S HN 1.590 nan 8.310 nan 0.000 0.494 856 S N 1.527 116.565 115.700 -1.103 0.000 2.524 856 S HA 0.452 4.922 4.470 -0.001 0.000 0.227 856 S C 0.122 174.451 174.600 -0.452 0.000 1.304 856 S CA -0.603 57.153 58.200 -0.739 0.000 1.185 856 S CB -0.102 62.574 63.200 -0.874 0.000 1.104 856 S HN 0.561 nan 8.310 nan 0.000 0.475 857 L N 2.736 123.838 121.223 -0.203 0.000 2.554 857 L HA 0.474 4.813 4.340 -0.001 0.000 0.226 857 L C 0.911 177.761 176.870 -0.033 0.000 1.137 857 L CA 0.346 55.148 54.840 -0.063 0.000 0.863 857 L CB -0.067 42.015 42.059 0.038 0.000 0.985 857 L HN 0.671 nan 8.230 nan 0.000 0.451 858 A N -1.097 121.693 122.820 -0.052 0.000 2.594 858 A HA 0.455 4.775 4.320 -0.001 0.000 0.295 858 A C -0.386 177.187 177.584 -0.020 0.000 1.071 858 A CA -0.448 51.577 52.037 -0.020 0.000 0.685 858 A CB 1.263 20.256 19.000 -0.011 0.000 1.285 858 A HN -0.123 nan 8.150 nan 0.000 0.405 859 S N 0.168 115.871 115.700 0.005 0.000 2.558 859 S HA 0.391 4.860 4.470 -0.001 0.000 0.293 859 S C 1.531 176.142 174.600 0.020 0.000 1.292 859 S CA 1.872 60.085 58.200 0.021 0.000 1.063 859 S CB -0.084 63.132 63.200 0.026 0.000 0.831 859 S HN 2.668 nan 8.310 nan 0.000 0.499 860 G N 3.306 112.123 108.800 0.029 0.000 2.179 860 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.260 860 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.260 860 G C -0.123 174.773 174.900 -0.006 0.000 0.977 860 G CA 0.512 45.630 45.100 0.030 0.000 0.641 860 G HN 0.726 nan 8.290 nan 0.000 0.533 861 E N -0.631 119.550 120.200 -0.031 0.000 2.212 861 E HA 0.792 5.142 4.350 -0.001 0.000 0.270 861 E C -0.202 176.338 176.600 -0.100 0.000 0.956 861 E CA -0.728 55.632 56.400 -0.067 0.000 0.825 861 E CB 1.668 31.326 29.700 -0.070 0.000 1.167 861 E HN 0.225 nan 8.360 nan 0.000 0.400 862 L N 1.874 123.033 121.223 -0.106 0.000 2.445 862 L HA 0.448 4.787 4.340 -0.001 0.000 0.262 862 L C -0.894 175.912 176.870 -0.106 0.000 0.974 862 L CA -0.585 54.186 54.840 -0.115 0.000 0.822 862 L CB 2.128 44.149 42.059 -0.063 0.000 1.339 862 L HN 0.669 nan 8.230 nan 0.000 0.409 863 E N 3.461 123.590 120.200 -0.118 0.000 2.372 863 E HA 0.691 5.040 4.350 -0.001 0.000 0.279 863 E C -1.676 174.887 176.600 -0.062 0.000 0.946 863 E CA -0.831 55.532 56.400 -0.061 0.000 0.769 863 E CB 3.377 33.081 29.700 0.007 0.000 1.230 863 E HN 0.539 nan 8.360 nan 0.000 0.442 864 I N 2.432 123.008 120.570 0.010 0.000 2.610 864 I HA 0.323 4.492 4.170 -0.001 0.000 0.289 864 I C -1.380 174.817 176.117 0.133 0.000 1.163 864 I CA -1.139 60.192 61.300 0.051 0.000 1.044 864 I CB 1.918 39.952 38.000 0.058 0.000 1.251 864 I HN 0.802 nan 8.210 nan 0.000 0.424 865 M N 6.405 126.124 119.600 0.198 0.000 2.239 865 M HA 0.181 4.660 4.480 -0.001 0.000 0.348 865 M C 0.654 177.059 176.300 0.175 0.000 1.239 865 M CA 0.668 56.085 55.300 0.195 0.000 1.114 865 M CB 0.841 33.525 32.600 0.140 0.000 1.641 865 M HN 0.583 nan 8.290 nan 0.000 0.453 866 Q N 1.552 121.489 119.800 0.229 0.000 2.200 866 Q HA 0.225 4.564 4.340 -0.001 0.000 0.197 866 Q C -0.207 176.009 176.000 0.361 0.000 0.953 866 Q CA 0.895 56.897 55.803 0.332 0.000 0.851 866 Q CB 0.322 29.296 28.738 0.393 0.000 0.938 866 Q HN 0.759 nan 8.270 nan 0.000 0.488 867 D N -0.932 119.610 120.400 0.237 0.000 2.653 867 D HA 0.268 4.907 4.640 -0.001 0.000 0.258 867 D C -1.415 174.961 176.300 0.127 0.000 1.252 867 D CA -0.476 53.639 54.000 0.192 0.000 0.777 867 D CB 1.485 42.388 40.800 0.172 0.000 1.339 867 D HN 0.037 nan 8.370 nan 0.000 0.422 868 R N 0.886 121.448 120.500 0.103 0.000 2.604 868 R HA 0.707 5.047 4.340 -0.001 0.000 0.281 868 R C -0.972 175.374 176.300 0.077 0.000 1.020 868 R CA -1.065 55.079 56.100 0.074 0.000 0.899 868 R CB 2.236 32.554 30.300 0.030 0.000 1.205 868 R HN 0.324 nan 8.270 nan 0.000 0.450 869 R N 3.577 124.120 120.500 0.071 0.000 2.483 869 R HA 0.452 4.792 4.340 -0.001 0.000 0.303 869 R C -1.518 174.818 176.300 0.060 0.000 0.987 869 R CA -0.554 55.585 56.100 0.064 0.000 0.881 869 R CB 1.230 31.564 30.300 0.056 0.000 1.177 869 R HN 0.702 nan 8.270 nan 0.000 0.451 870 L N 3.893 125.150 121.223 0.057 0.000 2.381 870 L HA 0.553 4.893 4.340 -0.001 0.000 0.274 870 L C 0.823 177.720 176.870 0.046 0.000 0.988 870 L CA -0.564 54.307 54.840 0.053 0.000 0.824 870 L CB 2.163 44.254 42.059 0.055 0.000 1.263 870 L HN 0.794 nan 8.230 nan 0.000 0.410 871 A N 1.530 124.374 122.820 0.040 0.000 2.016 871 A HA 0.122 4.441 4.320 -0.001 0.000 0.217 871 A C 0.980 178.583 177.584 0.032 0.000 1.162 871 A CA 0.727 52.785 52.037 0.034 0.000 0.662 871 A CB -0.049 18.968 19.000 0.029 0.000 0.812 871 A HN 0.632 nan 8.150 nan 0.000 0.450 872 S N -0.191 115.528 115.700 0.032 0.000 2.651 872 S HA 0.427 4.896 4.470 -0.001 0.000 0.291 872 S C -0.617 174.005 174.600 0.036 0.000 1.141 872 S CA -0.663 57.554 58.200 0.029 0.000 1.027 872 S CB 1.466 64.678 63.200 0.021 0.000 1.043 872 S HN 0.479 nan 8.310 nan 0.000 0.530 873 D N 0.184 120.605 120.400 0.035 0.000 2.304 873 D HA 0.252 4.892 4.640 -0.001 0.000 0.247 873 D C -0.245 176.076 176.300 0.034 0.000 1.089 873 D CA -0.459 53.570 54.000 0.049 0.000 0.910 873 D CB 0.708 41.535 40.800 0.046 0.000 1.199 873 D HN 0.491 nan 8.370 nan 0.000 0.426 874 D N 1.734 122.159 120.400 0.042 0.000 2.525 874 D HA 0.063 4.702 4.640 -0.001 0.000 0.229 874 D C -0.422 175.839 176.300 -0.065 0.000 1.202 874 D CA -0.299 53.693 54.000 -0.015 0.000 0.828 874 D CB -0.515 40.266 40.800 -0.031 0.000 1.008 874 D HN 0.662 nan 8.370 nan 0.000 0.493 875 E N -0.069 120.117 120.200 -0.023 0.000 2.476 875 E HA -0.239 4.110 4.350 -0.001 0.000 0.251 875 E C 0.237 176.794 176.600 -0.072 0.000 1.130 875 E CA 0.177 56.560 56.400 -0.029 0.000 0.736 875 E CB -0.802 28.880 29.700 -0.030 0.000 1.298 875 E HN 0.221 nan 8.360 nan 0.000 0.400 876 R N -0.626 119.798 120.500 -0.127 0.000 2.543 876 R HA 0.205 4.544 4.340 -0.001 0.000 0.323 876 R C 1.378 177.728 176.300 0.083 0.000 1.002 876 R CA 0.646 56.593 56.100 -0.256 0.000 1.106 876 R CB 0.995 30.665 30.300 -1.050 0.000 1.280 876 R HN 0.443 nan 8.270 nan 0.000 0.549 877 G N 0.726 109.647 108.800 0.202 0.000 2.218 877 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.216 877 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.216 877 G C 0.759 175.765 174.900 0.176 0.000 0.994 877 G CA 0.229 45.517 45.100 0.314 0.000 0.637 877 G HN 0.293 nan 8.290 nan 0.000 0.505 878 L N 1.510 122.943 121.223 0.350 0.000 2.141 878 L HA 0.426 4.766 4.340 -0.001 0.000 0.209 878 L C 2.232 179.114 176.870 0.019 0.000 1.094 878 L CA 2.775 57.732 54.840 0.195 0.000 0.763 878 L CB -0.589 41.719 42.059 0.414 0.000 0.908 878 L HN 1.720 nan 8.230 nan 0.000 0.437 879 G N -0.584 108.249 108.800 0.054 0.000 2.160 879 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.251 879 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.251 879 G C 0.115 175.030 174.900 0.025 0.000 1.008 879 G CA 0.655 45.765 45.100 0.017 0.000 0.724 879 G HN 0.803 nan 8.290 nan 0.000 0.514 880 Q N -2.061 117.770 119.800 0.051 0.000 2.633 880 Q HA 0.662 5.001 4.340 -0.001 0.000 0.289 880 Q C 0.342 176.378 176.000 0.060 0.000 0.940 880 Q CA -0.547 55.284 55.803 0.047 0.000 0.785 880 Q CB 0.435 29.198 28.738 0.042 0.000 1.467 880 Q HN 0.960 nan 8.270 nan 0.000 0.401 881 G N 0.021 108.851 108.800 0.051 0.000 2.574 881 G HA2 0.531 4.491 3.960 -0.001 0.000 0.248 881 G HA3 0.531 4.491 3.960 -0.001 0.000 0.248 881 G C -0.973 173.962 174.900 0.058 0.000 1.422 881 G CA -0.635 44.497 45.100 0.053 0.000 1.051 881 G HN 0.409 nan 8.290 nan 0.000 0.560 882 V N 0.940 120.889 119.914 0.058 0.000 2.305 882 V HA 0.343 4.462 4.120 -0.001 0.000 0.275 882 V C 0.050 176.182 176.094 0.063 0.000 1.020 882 V CA -0.151 62.189 62.300 0.067 0.000 0.811 882 V CB 0.851 32.717 31.823 0.073 0.000 1.031 882 V HN 0.531 nan 8.190 nan 0.000 0.439 883 L N 3.269 124.528 121.223 0.059 0.000 3.229 883 L HA 0.321 4.660 4.340 -0.001 0.000 0.286 883 L C 0.579 177.478 176.870 0.049 0.000 1.239 883 L CA -0.003 54.866 54.840 0.049 0.000 1.035 883 L CB 0.674 42.756 42.059 0.039 0.000 1.408 883 L HN 0.653 nan 8.230 nan 0.000 0.593 884 D N -2.003 118.435 120.400 0.063 0.000 2.525 884 D HA 0.055 4.695 4.640 -0.001 0.000 0.229 884 D C 0.151 176.492 176.300 0.068 0.000 1.202 884 D CA -0.445 53.592 54.000 0.062 0.000 0.828 884 D CB -0.401 40.444 40.800 0.075 0.000 1.008 884 D HN 0.089 nan 8.370 nan 0.000 0.493 885 N N 1.622 120.360 118.700 0.063 0.000 2.374 885 N HA 0.136 4.875 4.740 -0.001 0.000 0.241 885 N C 0.177 175.694 175.510 0.012 0.000 1.262 885 N CA 0.294 53.380 53.050 0.060 0.000 0.880 885 N CB 0.643 39.163 38.487 0.055 0.000 1.105 885 N HN 0.323 nan 8.380 nan 0.000 0.438 886 K N -0.690 119.702 120.400 -0.012 0.000 2.536 886 K HA 0.535 4.855 4.320 -0.001 0.000 0.269 886 K C -3.272 173.294 176.600 -0.058 0.000 0.965 886 K CA -2.032 54.204 56.287 -0.084 0.000 0.860 886 K CB 1.184 33.552 32.500 -0.221 0.000 1.423 886 K HN 0.118 nan 8.250 nan 0.000 0.438 887 P HA -0.056 nan 4.420 nan 0.000 0.262 887 P C -0.979 176.330 177.300 0.015 0.000 1.182 887 P CA -0.324 62.751 63.100 -0.042 0.000 0.761 887 P CB 0.674 32.341 31.700 -0.055 0.000 0.795 888 V N 5.188 125.085 119.914 -0.029 0.000 2.925 888 V HA 0.535 4.655 4.120 -0.001 0.000 0.311 888 V C -1.431 174.542 176.094 -0.201 0.000 1.104 888 V CA -1.125 61.143 62.300 -0.054 0.000 0.954 888 V CB 2.249 34.025 31.823 -0.079 0.000 1.022 888 V HN 0.264 nan 8.190 nan 0.000 0.427 889 L N 6.397 127.525 121.223 -0.157 0.000 2.283 889 L HA 0.610 4.950 4.340 -0.001 0.000 0.281 889 L C -0.500 176.357 176.870 -0.023 0.000 1.033 889 L CA 0.058 54.842 54.840 -0.092 0.000 0.848 889 L CB 0.446 42.473 42.059 -0.054 0.000 1.226 889 L HN 0.717 nan 8.230 nan 0.000 0.429 890 H N 5.649 124.748 119.070 0.047 0.000 2.548 890 H HA 0.497 5.053 4.556 -0.001 0.000 0.331 890 H C -0.110 175.148 175.328 -0.116 0.000 1.093 890 H CA -0.200 55.824 56.048 -0.039 0.000 1.367 890 H CB 1.321 31.134 29.762 0.085 0.000 1.455 890 H HN 0.683 nan 8.280 nan 0.000 0.519 891 I N 0.165 120.602 120.570 -0.222 0.000 2.740 891 I HA 0.619 4.788 4.170 -0.001 0.000 0.303 891 I C -1.372 174.439 176.117 -0.511 0.000 1.044 891 I CA -0.950 60.242 61.300 -0.181 0.000 1.064 891 I CB 2.151 40.117 38.000 -0.057 0.000 1.249 891 I HN 0.243 nan 8.210 nan 0.000 0.433 892 Y N 2.102 122.456 120.300 0.090 0.000 2.670 892 Y HA 0.701 5.251 4.550 -0.001 0.000 0.334 892 Y C -0.687 175.269 175.900 0.095 0.000 1.185 892 Y CA -1.111 57.048 58.100 0.100 0.000 1.053 892 Y CB 1.413 39.953 38.460 0.134 0.000 1.298 892 Y HN 0.416 nan 8.280 nan 0.000 0.459 893 R N 1.367 122.039 120.500 0.287 0.000 2.628 893 R HA 0.579 4.919 4.340 -0.001 0.000 0.288 893 R C -1.971 174.445 176.300 0.195 0.000 0.980 893 R CA -1.049 55.165 56.100 0.190 0.000 0.891 893 R CB 2.400 32.772 30.300 0.120 0.000 1.188 893 R HN 0.659 nan 8.270 nan 0.000 0.450 894 L N 3.004 124.323 121.223 0.161 0.000 2.316 894 L HA 0.443 4.783 4.340 -0.001 0.000 0.280 894 L C -1.134 175.769 176.870 0.055 0.000 1.006 894 L CA -0.555 54.357 54.840 0.119 0.000 0.836 894 L CB 1.766 43.910 42.059 0.143 0.000 1.221 894 L HN 0.310 nan 8.230 nan 0.000 0.418 895 V N 6.232 126.162 119.914 0.027 0.000 2.334 895 V HA 0.394 4.513 4.120 -0.001 0.000 0.281 895 V C -0.282 175.788 176.094 -0.041 0.000 1.016 895 V CA -0.575 61.720 62.300 -0.010 0.000 0.832 895 V CB 1.284 33.092 31.823 -0.026 0.000 0.999 895 V HN 0.638 nan 8.190 nan 0.000 0.439 896 L N 5.772 126.966 121.223 -0.048 0.000 2.282 896 L HA 0.714 5.054 4.340 -0.001 0.000 0.288 896 L C -0.171 176.660 176.870 -0.066 0.000 1.033 896 L CA 0.582 55.385 54.840 -0.062 0.000 0.807 896 L CB 1.111 43.129 42.059 -0.068 0.000 1.209 896 L HN 0.778 nan 8.230 nan 0.000 0.423 897 E N 3.666 123.819 120.200 -0.078 0.000 2.413 897 E HA 0.481 4.830 4.350 -0.001 0.000 0.277 897 E C -1.366 175.188 176.600 -0.078 0.000 0.958 897 E CA -1.207 55.144 56.400 -0.081 0.000 0.779 897 E CB 1.349 30.986 29.700 -0.105 0.000 1.278 897 E HN 0.216 nan 8.360 nan 0.000 0.456 898 K N 1.300 121.658 120.400 -0.070 0.000 2.234 898 K HA 0.235 4.555 4.320 -0.001 0.000 0.282 898 K C 0.325 176.881 176.600 -0.073 0.000 1.039 898 K CA -0.300 55.950 56.287 -0.061 0.000 0.928 898 K CB 1.434 33.904 32.500 -0.050 0.000 1.039 898 K HN 0.515 nan 8.250 nan 0.000 0.470 899 V N -0.474 119.398 119.914 -0.071 0.000 3.253 899 V HA 0.030 4.149 4.120 -0.001 0.000 0.320 899 V C 1.156 177.214 176.094 -0.060 0.000 1.442 899 V CA -0.331 61.919 62.300 -0.084 0.000 1.097 899 V CB -0.329 31.426 31.823 -0.112 0.000 1.008 899 V HN 0.617 nan 8.190 nan 0.000 0.463 900 N N 1.404 120.077 118.700 -0.044 0.000 2.364 900 N HA -0.172 4.568 4.740 -0.001 0.000 0.183 900 N C 0.972 176.462 175.510 -0.033 0.000 1.022 900 N CA 1.555 54.586 53.050 -0.031 0.000 0.883 900 N CB -0.442 38.031 38.487 -0.023 0.000 0.965 900 N HN 0.540 nan 8.380 nan 0.000 0.438 901 N N -0.015 118.660 118.700 -0.042 0.000 2.280 901 N HA 0.085 4.825 4.740 -0.001 0.000 0.192 901 N C -0.305 175.175 175.510 -0.050 0.000 1.109 901 N CA -0.152 52.874 53.050 -0.041 0.000 0.855 901 N CB 0.145 38.608 38.487 -0.040 0.000 0.974 901 N HN 0.200 nan 8.380 nan 0.000 0.482 902 c N 1.333 119.897 118.600 -0.060 0.000 2.601 902 c HA 0.244 4.813 4.570 -0.001 0.000 0.409 902 c C 1.079 175.131 174.090 -0.063 0.000 1.293 902 c CA -0.935 55.351 56.329 -0.073 0.000 2.101 902 c CB 0.629 43.081 42.510 -0.096 0.000 2.639 902 c HN 0.010 nan 8.230 nan 0.000 0.592 903 V N 5.611 125.484 119.914 -0.068 0.000 2.387 903 V HA 0.209 4.329 4.120 -0.001 0.000 0.260 903 V C 0.632 176.688 176.094 -0.064 0.000 1.054 903 V CA 0.426 62.689 62.300 -0.060 0.000 0.967 903 V CB -0.545 31.238 31.823 -0.067 0.000 1.036 903 V HN 0.803 nan 8.190 nan 0.000 0.481 904 R N 4.677 125.152 120.500 -0.043 0.000 2.828 904 R HA 0.565 4.904 4.340 -0.001 0.000 0.264 904 R C -2.478 173.813 176.300 -0.015 0.000 1.022 904 R CA -1.862 54.220 56.100 -0.029 0.000 1.021 904 R CB 1.127 31.415 30.300 -0.020 0.000 1.163 904 R HN 0.403 nan 8.270 nan 0.000 0.494 905 P HA -0.013 nan 4.420 nan 0.000 0.272 905 P C -0.407 176.930 177.300 0.060 0.000 1.230 905 P CA -0.269 62.810 63.100 -0.035 0.000 0.788 905 P CB 0.679 32.273 31.700 -0.177 0.000 0.949 906 S N 1.167 116.931 115.700 0.107 0.000 2.606 906 S HA 0.074 4.543 4.470 -0.001 0.000 0.257 906 S C 1.083 175.763 174.600 0.133 0.000 1.327 906 S CA -0.139 58.126 58.200 0.108 0.000 0.984 906 S CB 0.283 63.548 63.200 0.108 0.000 0.941 906 S HN 0.319 nan 8.310 nan 0.000 0.576 907 K N 0.296 120.757 120.400 0.101 0.000 2.281 907 K HA 0.010 4.329 4.320 -0.001 0.000 0.203 907 K C 1.453 178.110 176.600 0.096 0.000 1.046 907 K CA 1.254 57.599 56.287 0.097 0.000 0.938 907 K CB -0.596 31.945 32.500 0.068 0.000 0.737 907 K HN 0.552 nan 8.250 nan 0.000 0.458 908 L N -0.045 121.237 121.223 0.098 0.000 2.592 908 L HA 0.063 4.402 4.340 -0.001 0.000 0.227 908 L C 1.029 177.954 176.870 0.091 0.000 1.127 908 L CA -0.267 54.615 54.840 0.071 0.000 0.884 908 L CB -0.270 41.816 42.059 0.045 0.000 1.065 908 L HN 0.222 nan 8.230 nan 0.000 0.457 909 H N 2.662 121.770 119.070 0.064 0.000 2.803 909 H HA 0.086 4.642 4.556 -0.001 0.000 0.330 909 H C -1.746 173.623 175.328 0.069 0.000 1.057 909 H CA -1.363 54.736 56.048 0.085 0.000 1.458 909 H CB 1.780 31.620 29.762 0.130 0.000 1.470 909 H HN -0.088 nan 8.280 nan 0.000 0.560 910 P HA 0.121 nan 4.420 nan 0.000 0.245 910 P C -0.437 176.963 177.300 0.168 0.000 1.212 910 P CA 0.265 63.400 63.100 0.058 0.000 0.774 910 P CB 0.499 32.165 31.700 -0.058 0.000 0.999 911 A N -0.417 122.676 122.820 0.455 0.000 2.313 911 A HA 0.779 5.099 4.320 -0.001 0.000 0.323 911 A C 0.180 177.844 177.584 0.133 0.000 1.133 911 A CA -0.356 51.835 52.037 0.256 0.000 0.847 911 A CB 1.099 20.253 19.000 0.256 0.000 1.308 911 A HN 0.143 nan 8.150 nan 0.000 0.475 912 G N -1.442 107.284 108.800 -0.125 0.000 2.619 912 G HA2 0.622 4.581 3.960 -0.001 0.000 0.296 912 G HA3 0.622 4.581 3.960 -0.001 0.000 0.296 912 G C -1.844 172.679 174.900 -0.630 0.000 1.334 912 G CA -0.368 44.581 45.100 -0.251 0.000 0.934 912 G HN 0.533 nan 8.290 nan 0.000 0.476 913 Y N -0.477 119.782 120.300 -0.069 0.000 2.524 913 Y HA 0.511 5.061 4.550 -0.001 0.000 0.347 913 Y C 0.454 176.126 175.900 -0.380 0.000 1.005 913 Y CA -0.917 57.081 58.100 -0.171 0.000 1.025 913 Y CB 2.131 40.483 38.460 -0.179 0.000 1.275 913 Y HN 0.344 nan 8.280 nan 0.000 0.460 914 L N 1.952 123.015 121.223 -0.267 0.000 2.466 914 L HA 0.408 4.747 4.340 -0.001 0.000 0.257 914 L C 0.643 177.367 176.870 -0.243 0.000 1.189 914 L CA -0.543 54.064 54.840 -0.388 0.000 0.813 914 L CB 0.762 42.656 42.059 -0.275 0.000 1.118 914 L HN 0.764 nan 8.230 nan 0.000 0.471 915 T N -3.042 111.363 114.554 -0.249 0.000 2.881 915 T HA 0.098 4.447 4.350 -0.001 0.000 0.278 915 T C 1.054 175.703 174.700 -0.085 0.000 0.982 915 T CA -0.213 61.785 62.100 -0.170 0.000 0.989 915 T CB 1.594 70.358 68.868 -0.174 0.000 1.058 915 T HN 0.593 nan 8.240 nan 0.000 0.529 916 S N 0.472 116.133 115.700 -0.064 0.000 2.359 916 S HA -0.150 4.320 4.470 -0.001 0.000 0.224 916 S C 2.335 176.948 174.600 0.022 0.000 1.035 916 S CA 1.520 59.715 58.200 -0.007 0.000 1.018 916 S CB -1.232 61.947 63.200 -0.036 0.000 0.876 916 S HN 0.912 nan 8.310 nan 0.000 0.448 917 A N 1.299 124.107 122.820 -0.020 0.000 1.902 917 A HA 0.214 4.534 4.320 -0.001 0.000 0.217 917 A C 2.495 180.076 177.584 -0.005 0.000 1.181 917 A CA 1.905 53.933 52.037 -0.014 0.000 0.623 917 A CB -1.402 17.579 19.000 -0.032 0.000 0.818 917 A HN 0.823 nan 8.150 nan 0.000 0.443 918 A N -1.334 121.469 122.820 -0.028 0.000 1.930 918 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 918 A C 2.123 179.738 177.584 0.051 0.000 1.175 918 A CA 1.668 53.691 52.037 -0.023 0.000 0.627 918 A CB -0.924 18.002 19.000 -0.122 0.000 0.815 918 A HN 0.790 nan 8.150 nan 0.000 0.443 919 H N -0.023 119.032 119.070 -0.025 0.000 2.326 919 H HA -0.049 4.507 4.556 -0.001 0.000 0.301 919 H C 1.852 177.216 175.328 0.061 0.000 1.081 919 H CA 1.816 57.884 56.048 0.034 0.000 1.334 919 H CB -0.065 29.712 29.762 0.025 0.000 1.385 919 H HN 0.435 nan 8.280 nan 0.000 0.504 920 K N 0.243 120.610 120.400 -0.056 0.000 2.147 920 K HA -0.081 4.239 4.320 -0.001 0.000 0.205 920 K C 2.362 178.928 176.600 -0.057 0.000 1.049 920 K CA 0.855 57.086 56.287 -0.093 0.000 0.936 920 K CB -0.034 32.466 32.500 -0.000 0.000 0.722 920 K HN 0.278 nan 8.250 nan 0.000 0.446 921 A N 0.783 123.595 122.820 -0.014 0.000 1.933 921 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 921 A C 2.206 179.797 177.584 0.012 0.000 1.175 921 A CA 1.944 53.987 52.037 0.011 0.000 0.628 921 A CB -0.589 18.432 19.000 0.035 0.000 0.814 921 A HN 0.262 nan 8.150 nan 0.000 0.444 922 S N -0.691 115.018 115.700 0.015 0.000 2.368 922 S HA -0.219 4.251 4.470 -0.001 0.000 0.225 922 S C 2.136 176.728 174.600 -0.014 0.000 1.030 922 S CA 1.656 59.882 58.200 0.043 0.000 0.999 922 S CB -0.382 62.889 63.200 0.118 0.000 0.844 922 S HN 0.680 nan 8.310 nan 0.000 0.459 923 Q N 0.607 120.351 119.800 -0.093 0.000 2.170 923 Q HA -0.087 4.252 4.340 -0.001 0.000 0.203 923 Q C 2.468 178.424 176.000 -0.074 0.000 0.976 923 Q CA 1.637 57.385 55.803 -0.092 0.000 0.858 923 Q CB -0.287 28.371 28.738 -0.134 0.000 0.907 923 Q HN 0.801 nan 8.270 nan 0.000 0.433 924 S N 0.244 115.911 115.700 -0.055 0.000 2.423 924 S HA -0.079 4.390 4.470 -0.001 0.000 0.231 924 S C 1.865 176.423 174.600 -0.070 0.000 1.014 924 S CA 0.664 58.832 58.200 -0.054 0.000 0.965 924 S CB -0.242 62.944 63.200 -0.024 0.000 0.785 924 S HN 0.274 nan 8.310 nan 0.000 0.495 925 L N 0.133 121.325 121.223 -0.052 0.000 2.102 925 L HA 0.199 4.538 4.340 -0.001 0.000 0.202 925 L C 2.557 179.371 176.870 -0.093 0.000 1.076 925 L CA 0.802 55.608 54.840 -0.056 0.000 0.761 925 L CB -0.415 41.630 42.059 -0.024 0.000 0.921 925 L HN 0.279 nan 8.230 nan 0.000 0.444 926 L N -1.132 120.038 121.223 -0.088 0.000 2.162 926 L HA 0.005 4.345 4.340 -0.001 0.000 0.205 926 L C 0.220 176.968 176.870 -0.203 0.000 1.086 926 L CA 0.840 55.613 54.840 -0.111 0.000 0.778 926 L CB 0.052 42.069 42.059 -0.069 0.000 0.928 926 L HN 0.222 nan 8.230 nan 0.000 0.446 927 D N 0.344 120.603 120.400 -0.235 0.000 2.613 927 D HA 0.226 4.865 4.640 -0.001 0.000 0.312 927 D C -2.327 173.740 176.300 -0.388 0.000 1.202 927 D CA -0.976 52.786 54.000 -0.397 0.000 0.825 927 D CB 1.277 42.030 40.800 -0.078 0.000 1.113 927 D HN 0.073 nan 8.370 nan 0.000 0.502 928 P HA 0.111 nan 4.420 nan 0.000 0.273 928 P C 0.529 177.703 177.300 -0.209 0.000 1.250 928 P CA -0.461 62.484 63.100 -0.259 0.000 0.793 928 P CB 1.570 33.138 31.700 -0.220 0.000 1.011 929 L N 0.725 121.882 121.223 -0.110 0.000 2.483 929 L HA 0.116 4.455 4.340 -0.001 0.000 0.276 929 L C 0.937 177.799 176.870 -0.013 0.000 1.213 929 L CA 0.369 55.187 54.840 -0.036 0.000 0.843 929 L CB -0.248 41.806 42.059 -0.009 0.000 1.107 929 L HN 0.288 nan 8.230 nan 0.000 0.487 930 D N 2.636 123.093 120.400 0.095 0.000 2.175 930 D HA 0.336 4.976 4.640 -0.001 0.000 0.248 930 D C -0.424 175.862 176.300 -0.022 0.000 1.047 930 D CA -0.363 53.630 54.000 -0.011 0.000 0.883 930 D CB 1.772 42.609 40.800 0.061 0.000 1.180 930 D HN 0.364 nan 8.370 nan 0.000 0.438 931 K N 1.447 121.707 120.400 -0.233 0.000 2.292 931 K HA 0.488 4.807 4.320 -0.001 0.000 0.257 931 K C -1.002 175.509 176.600 -0.149 0.000 0.940 931 K CA -0.673 55.613 56.287 -0.002 0.000 0.811 931 K CB 1.583 34.055 32.500 -0.047 0.000 1.120 931 K HN 0.221 nan 8.250 nan 0.000 0.428 932 F N 2.575 122.702 119.950 0.295 0.000 2.529 932 F HA 0.484 5.010 4.527 -0.001 0.000 0.320 932 F C 0.006 176.098 175.800 0.487 0.000 1.118 932 F CA -0.918 57.257 58.000 0.292 0.000 0.915 932 F CB 1.197 40.205 39.000 0.013 0.000 1.161 932 F HN 0.199 nan 8.300 nan 0.000 0.445 933 I N 3.485 124.444 120.570 0.647 0.000 2.354 933 I HA 0.224 4.393 4.170 -0.001 0.000 0.292 933 I C -0.496 175.898 176.117 0.460 0.000 0.989 933 I CA -0.828 60.775 61.300 0.506 0.000 1.188 933 I CB 1.209 39.407 38.000 0.329 0.000 1.342 933 I HN 0.447 nan 8.210 nan 0.000 0.457 934 F N 5.659 125.757 119.950 0.248 0.000 2.538 934 F HA 0.210 4.737 4.527 -0.001 0.000 0.371 934 F C 1.178 176.889 175.800 -0.149 0.000 1.087 934 F CA 0.076 57.914 58.000 -0.270 0.000 1.250 934 F CB 1.206 40.082 39.000 -0.207 0.000 1.110 934 F HN 0.603 nan 8.300 nan 0.000 0.570 935 A N 4.410 126.610 122.820 -1.034 0.000 1.935 935 A HA 0.050 4.369 4.320 -0.001 0.000 0.214 935 A C 0.932 178.258 177.584 -0.430 0.000 1.178 935 A CA 0.503 52.190 52.037 -0.584 0.000 0.640 935 A CB -0.486 18.177 19.000 -0.562 0.000 0.825 935 A HN 0.795 nan 8.150 nan 0.000 0.447 936 E N -0.284 119.534 120.200 -0.637 0.000 2.351 936 E HA 0.163 4.512 4.350 -0.001 0.000 0.255 936 E C 0.256 176.985 176.600 0.216 0.000 1.188 936 E CA -0.558 55.791 56.400 -0.086 0.000 0.940 936 E CB 0.264 29.994 29.700 0.050 0.000 1.094 936 E HN 0.244 nan 8.360 nan 0.000 0.474 937 N N 0.601 119.426 118.700 0.208 0.000 2.270 937 N HA -0.094 4.646 4.740 -0.001 0.000 0.181 937 N C -0.172 175.494 175.510 0.260 0.000 1.016 937 N CA 0.916 54.094 53.050 0.213 0.000 0.870 937 N CB 0.171 38.739 38.487 0.134 0.000 0.979 937 N HN 0.466 nan 8.380 nan 0.000 0.431 938 E N -0.670 119.702 120.200 0.287 0.000 2.272 938 E HA 0.124 4.474 4.350 -0.001 0.000 0.269 938 E C -1.518 175.158 176.600 0.126 0.000 0.877 938 E CA -0.738 55.758 56.400 0.161 0.000 0.755 938 E CB 1.326 31.087 29.700 0.100 0.000 1.192 938 E HN -0.011 nan 8.360 nan 0.000 0.422 939 W N 7.791 128.758 121.300 -0.555 0.000 2.309 939 W HA 0.407 5.066 4.660 -0.001 0.000 0.332 939 W C -1.391 174.903 176.519 -0.374 0.000 0.962 939 W CA -1.526 55.313 57.345 -0.843 0.000 1.497 939 W CB -0.173 28.301 29.460 -1.643 0.000 1.308 939 W HN 0.462 nan 8.180 nan 0.000 0.384 940 I N 5.974 126.648 120.570 0.173 0.000 2.471 940 I HA 0.274 4.444 4.170 -0.001 0.000 0.286 940 I C 1.480 177.593 176.117 -0.006 0.000 1.079 940 I CA 1.309 62.635 61.300 0.044 0.000 1.398 940 I CB 0.489 38.544 38.000 0.092 0.000 1.403 940 I HN 0.766 nan 8.210 nan 0.000 0.530 941 G N 4.216 112.917 108.800 -0.165 0.000 2.175 941 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.244 941 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.244 941 G C 0.476 175.127 174.900 -0.416 0.000 0.982 941 G CA -0.162 44.823 45.100 -0.192 0.000 0.641 941 G HN 1.009 nan 8.290 nan 0.000 0.527 942 A N -0.147 122.145 122.820 -0.879 0.000 2.587 942 A HA 0.493 4.813 4.320 -0.001 0.000 0.235 942 A C 0.585 177.725 177.584 -0.741 0.000 1.044 942 A CA 1.086 52.227 52.037 -1.494 0.000 0.754 942 A CB 0.152 17.961 19.000 -1.984 0.000 0.968 942 A HN 0.662 nan 8.150 nan 0.000 0.509 943 Q N 0.732 120.170 119.800 -0.604 0.000 2.351 943 Q HA 0.532 4.871 4.340 -0.001 0.000 0.273 943 Q C 1.046 176.910 176.000 -0.226 0.000 1.077 943 Q CA -0.211 55.413 55.803 -0.298 0.000 0.843 943 Q CB 1.984 30.615 28.738 -0.179 0.000 1.367 943 Q HN 0.803 nan 8.270 nan 0.000 0.449 944 G N 0.148 108.859 108.800 -0.149 0.000 2.777 944 G HA2 -0.025 3.935 3.960 -0.001 0.000 0.211 944 G HA3 -0.025 3.935 3.960 -0.001 0.000 0.211 944 G C 0.153 175.017 174.900 -0.060 0.000 1.149 944 G CA 0.513 45.544 45.100 -0.114 0.000 0.785 944 G HN 0.435 nan 8.290 nan 0.000 0.536 945 Q N -1.308 118.473 119.800 -0.031 0.000 2.527 945 Q HA 0.508 4.847 4.340 -0.001 0.000 0.280 945 Q C -2.416 173.596 176.000 0.020 0.000 0.977 945 Q CA -0.915 54.886 55.803 -0.004 0.000 0.837 945 Q CB 2.026 30.748 28.738 -0.027 0.000 1.454 945 Q HN 0.038 nan 8.270 nan 0.000 0.387 946 F N 1.340 121.187 119.950 -0.171 0.000 2.574 946 F HA 0.639 5.165 4.527 -0.001 0.000 0.313 946 F C 0.436 175.979 175.800 -0.429 0.000 1.130 946 F CA 0.483 58.318 58.000 -0.275 0.000 0.936 946 F CB 2.039 40.888 39.000 -0.252 0.000 1.219 946 F HN 0.676 nan 8.300 nan 0.000 0.445 947 G N 3.064 110.856 108.800 -1.680 0.000 2.157 947 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.239 947 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.239 947 G C 1.052 175.273 174.900 -1.133 0.000 0.982 947 G CA 0.226 44.070 45.100 -2.093 0.000 0.650 947 G HN 1.597 nan 8.290 nan 0.000 0.527 948 G N 1.158 109.585 108.800 -0.621 0.000 2.479 948 G HA2 0.008 3.967 3.960 -0.001 0.000 0.220 948 G HA3 0.008 3.967 3.960 -0.001 0.000 0.220 948 G C 1.223 176.053 174.900 -0.116 0.000 1.115 948 G CA 1.825 46.794 45.100 -0.218 0.000 0.757 948 G HN 0.840 nan 8.290 nan 0.000 0.560 949 D N -0.986 119.261 120.400 -0.255 0.000 2.349 949 D HA 0.028 4.668 4.640 -0.001 0.000 0.214 949 D C 0.353 176.644 176.300 -0.015 0.000 1.063 949 D CA -0.492 53.456 54.000 -0.087 0.000 0.847 949 D CB -0.865 39.889 40.800 -0.077 0.000 0.933 949 D HN 0.446 nan 8.370 nan 0.000 0.513 950 H N 1.151 120.109 119.070 -0.185 0.000 2.848 950 H HA 0.212 4.767 4.556 -0.001 0.000 0.341 950 H C -1.995 173.296 175.328 -0.061 0.000 1.060 950 H CA -1.672 54.288 56.048 -0.146 0.000 1.444 950 H CB 0.649 30.270 29.762 -0.234 0.000 1.446 950 H HN -0.019 nan 8.280 nan 0.000 0.583 951 P HA -0.058 nan 4.420 nan 0.000 0.268 951 P C -0.619 176.745 177.300 0.107 0.000 1.204 951 P CA 0.106 63.265 63.100 0.099 0.000 0.768 951 P CB 0.743 32.480 31.700 0.061 0.000 0.842 952 S N 2.589 118.386 115.700 0.161 0.000 2.464 952 S HA 0.555 5.024 4.470 -0.001 0.000 0.313 952 S C 0.129 174.832 174.600 0.171 0.000 1.078 952 S CA -0.617 57.707 58.200 0.206 0.000 1.096 952 S CB -0.747 62.692 63.200 0.399 0.000 1.032 952 S HN 0.496 nan 8.310 nan 0.000 0.498 953 A N 4.225 127.136 122.820 0.151 0.000 2.406 953 A HA 0.453 4.773 4.320 -0.001 0.000 0.243 953 A C 0.569 178.207 177.584 0.089 0.000 1.082 953 A CA -0.449 51.654 52.037 0.111 0.000 0.786 953 A CB 0.120 19.187 19.000 0.112 0.000 1.029 953 A HN 0.919 nan 8.150 nan 0.000 0.495 954 R N 0.198 120.720 120.500 0.037 0.000 2.640 954 R HA -0.018 4.322 4.340 -0.001 0.000 0.270 954 R C 1.493 177.785 176.300 -0.014 0.000 1.024 954 R CA 0.952 57.045 56.100 -0.012 0.000 1.085 954 R CB 0.325 30.608 30.300 -0.028 0.000 0.963 954 R HN 0.906 nan 8.270 nan 0.000 0.426 955 E N 2.105 122.253 120.200 -0.087 0.000 2.267 955 E HA -0.257 4.092 4.350 -0.001 0.000 0.197 955 E C 0.142 176.762 176.600 0.032 0.000 0.998 955 E CA 1.665 57.995 56.400 -0.117 0.000 0.830 955 E CB -0.089 29.521 29.700 -0.150 0.000 0.751 955 E HN 0.804 nan 8.360 nan 0.000 0.491 956 D N 0.514 120.899 120.400 -0.025 0.000 2.340 956 D HA 0.030 4.670 4.640 -0.001 0.000 0.220 956 D C 0.330 176.626 176.300 -0.008 0.000 1.039 956 D CA -0.202 53.746 54.000 -0.086 0.000 0.866 956 D CB -0.029 40.661 40.800 -0.184 0.000 0.913 956 D HN 0.176 nan 8.370 nan 0.000 0.523 957 L N 0.656 121.920 121.223 0.068 0.000 2.322 957 L HA 0.549 4.888 4.340 -0.001 0.000 0.279 957 L C -1.133 175.862 176.870 0.210 0.000 1.036 957 L CA -0.400 54.501 54.840 0.101 0.000 0.807 957 L CB 1.738 43.843 42.059 0.078 0.000 1.226 957 L HN -0.208 nan 8.230 nan 0.000 0.433 958 D N 2.219 122.764 120.400 0.243 0.000 2.732 958 D HA 0.338 4.977 4.640 -0.001 0.000 0.229 958 D C -1.387 175.078 176.300 0.274 0.000 1.152 958 D CA -0.263 53.906 54.000 0.282 0.000 0.854 958 D CB 2.443 43.458 40.800 0.357 0.000 1.590 958 D HN 0.228 nan 8.370 nan 0.000 0.468 959 V N 3.559 123.614 119.914 0.236 0.000 2.258 959 V HA 0.113 4.233 4.120 -0.001 0.000 0.258 959 V C 1.312 177.551 176.094 0.243 0.000 1.121 959 V CA 0.060 62.512 62.300 0.253 0.000 0.942 959 V CB 0.383 32.344 31.823 0.230 0.000 1.170 959 V HN 0.614 nan 8.190 nan 0.000 0.487 960 S N 3.122 118.998 115.700 0.292 0.000 2.383 960 S HA -0.052 4.417 4.470 -0.001 0.000 0.229 960 S C 0.677 175.348 174.600 0.118 0.000 1.030 960 S CA 1.017 59.349 58.200 0.219 0.000 1.002 960 S CB 0.113 63.518 63.200 0.342 0.000 0.829 960 S HN 0.497 nan 8.310 nan 0.000 0.467 961 V N 1.277 121.296 119.914 0.176 0.000 2.733 961 V HA 0.514 4.634 4.120 -0.001 0.000 0.306 961 V C -0.796 175.368 176.094 0.116 0.000 1.084 961 V CA -0.533 61.843 62.300 0.126 0.000 0.905 961 V CB 1.914 33.841 31.823 0.172 0.000 1.010 961 V HN 0.362 nan 8.190 nan 0.000 0.424 962 M N 5.695 125.278 119.600 -0.028 0.000 2.151 962 M HA 0.659 5.138 4.480 -0.001 0.000 0.290 962 M C -1.033 175.086 176.300 -0.302 0.000 0.965 962 M CA -0.486 54.658 55.300 -0.261 0.000 0.930 962 M CB 1.293 33.742 32.600 -0.252 0.000 1.560 962 M HN 0.758 nan 8.290 nan 0.000 0.438 963 R N 4.156 124.410 120.500 -0.410 0.000 2.515 963 R HA 0.443 4.782 4.340 -0.001 0.000 0.291 963 R C -1.369 174.698 176.300 -0.390 0.000 1.046 963 R CA -0.698 55.215 56.100 -0.312 0.000 0.914 963 R CB 1.825 32.035 30.300 -0.150 0.000 1.191 963 R HN 0.885 nan 8.270 nan 0.000 0.435 964 R N 4.731 125.058 120.500 -0.288 0.000 2.401 964 R HA 0.134 4.473 4.340 -0.001 0.000 0.299 964 R C 0.156 176.347 176.300 -0.182 0.000 1.064 964 R CA 0.032 55.994 56.100 -0.231 0.000 1.000 964 R CB 0.597 30.819 30.300 -0.129 0.000 0.973 964 R HN 0.719 nan 8.270 nan 0.000 0.438 965 L N 3.171 124.279 121.223 -0.191 0.000 2.585 965 L HA 0.137 4.477 4.340 -0.001 0.000 0.226 965 L C 0.403 177.226 176.870 -0.078 0.000 1.113 965 L CA 0.035 54.788 54.840 -0.146 0.000 0.876 965 L CB 0.298 42.239 42.059 -0.198 0.000 1.072 965 L HN 0.712 nan 8.230 nan 0.000 0.468 966 T N -2.885 111.633 114.554 -0.059 0.000 2.887 966 T HA 0.451 4.801 4.350 -0.001 0.000 0.288 966 T C -0.261 174.435 174.700 -0.007 0.000 1.021 966 T CA -0.925 61.158 62.100 -0.028 0.000 1.000 966 T CB 2.401 71.258 68.868 -0.018 0.000 1.034 966 T HN -0.087 nan 8.240 nan 0.000 0.467 967 K N 0.964 121.366 120.400 0.002 0.000 2.102 967 K HA 0.332 4.651 4.320 -0.001 0.000 0.244 967 K C 1.695 178.311 176.600 0.026 0.000 1.021 967 K CA -0.235 56.063 56.287 0.019 0.000 0.913 967 K CB 0.730 33.239 32.500 0.015 0.000 1.062 967 K HN 0.815 nan 8.250 nan 0.000 0.485 968 S N -0.345 115.379 115.700 0.040 0.000 2.419 968 S HA -0.175 4.295 4.470 -0.001 0.000 0.235 968 S C 1.799 176.415 174.600 0.026 0.000 1.019 968 S CA 1.688 59.910 58.200 0.037 0.000 0.982 968 S CB -0.429 62.799 63.200 0.046 0.000 0.789 968 S HN 0.653 nan 8.310 nan 0.000 0.490 969 S N 1.518 117.232 115.700 0.023 0.000 2.555 969 S HA 0.424 4.893 4.470 -0.001 0.000 0.230 969 S C 0.734 175.342 174.600 0.014 0.000 0.978 969 S CA 0.051 58.263 58.200 0.019 0.000 0.934 969 S CB -0.665 62.546 63.200 0.018 0.000 0.766 969 S HN 0.810 nan 8.310 nan 0.000 0.533 970 A N 1.699 124.527 122.820 0.012 0.000 2.404 970 A HA 0.414 4.733 4.320 -0.001 0.000 0.273 970 A C 1.199 178.791 177.584 0.013 0.000 1.144 970 A CA -0.539 51.504 52.037 0.008 0.000 0.806 970 A CB 0.316 19.318 19.000 0.004 0.000 1.080 970 A HN 0.431 nan 8.150 nan 0.000 0.509 971 K N 1.759 122.166 120.400 0.011 0.000 2.063 971 K HA -0.098 4.221 4.320 -0.001 0.000 0.208 971 K C 0.081 176.692 176.600 0.019 0.000 1.048 971 K CA 1.665 57.961 56.287 0.014 0.000 0.928 971 K CB -0.037 32.469 32.500 0.010 0.000 0.713 971 K HN 0.661 nan 8.250 nan 0.000 0.442 972 T N 2.442 117.005 114.554 0.015 0.000 2.753 972 T HA 0.175 4.524 4.350 -0.001 0.000 0.297 972 T C -0.787 173.929 174.700 0.026 0.000 0.981 972 T CA -0.643 61.468 62.100 0.019 0.000 0.956 972 T CB 1.414 70.285 68.868 0.006 0.000 0.936 972 T HN 0.080 nan 8.240 nan 0.000 0.463 973 Q N 2.787 122.620 119.800 0.054 0.000 2.340 973 Q HA 0.400 4.739 4.340 -0.001 0.000 0.249 973 Q C 0.086 176.137 176.000 0.085 0.000 0.957 973 Q CA 0.090 55.929 55.803 0.060 0.000 0.882 973 Q CB 1.231 30.011 28.738 0.069 0.000 1.235 973 Q HN 0.561 nan 8.270 nan 0.000 0.439 974 R N 0.291 120.812 120.500 0.034 0.000 2.628 974 R HA 0.653 4.993 4.340 -0.001 0.000 0.288 974 R C -1.100 175.158 176.300 -0.071 0.000 0.980 974 R CA -0.672 55.432 56.100 0.007 0.000 0.891 974 R CB 1.815 32.089 30.300 -0.043 0.000 1.188 974 R HN 0.242 nan 8.270 nan 0.000 0.450 975 V N 1.554 121.422 119.914 -0.075 0.000 2.531 975 V HA 0.600 4.720 4.120 -0.001 0.000 0.301 975 V C 0.188 176.026 176.094 -0.428 0.000 1.034 975 V CA -0.825 61.306 62.300 -0.281 0.000 0.865 975 V CB 2.011 33.676 31.823 -0.264 0.000 0.995 975 V HN 0.947 nan 8.190 nan 0.000 0.424 976 G N 3.135 111.485 108.800 -0.749 0.000 2.371 976 G HA2 0.660 4.620 3.960 -0.001 0.000 0.326 976 G HA3 0.660 4.620 3.960 -0.001 0.000 0.326 976 G C -1.631 172.847 174.900 -0.702 0.000 1.127 976 G CA -0.280 44.219 45.100 -1.003 0.000 0.885 976 G HN 0.503 nan 8.290 nan 0.000 0.477 977 Y N 0.342 120.691 120.300 0.082 0.000 2.442 977 Y HA 0.475 5.024 4.550 -0.001 0.000 0.344 977 Y C -0.156 176.013 175.900 0.448 0.000 0.976 977 Y CA -0.927 57.333 58.100 0.266 0.000 1.040 977 Y CB 2.725 41.308 38.460 0.205 0.000 1.228 977 Y HN 0.343 nan 8.280 nan 0.000 0.451 978 V N 5.102 125.323 119.914 0.512 0.000 2.384 978 V HA 0.389 4.509 4.120 -0.001 0.000 0.287 978 V C -0.421 175.908 176.094 0.392 0.000 1.020 978 V CA -0.739 61.790 62.300 0.382 0.000 0.850 978 V CB 1.427 33.431 31.823 0.301 0.000 0.987 978 V HN 0.622 nan 8.190 nan 0.000 0.436 979 L N 4.746 126.184 121.223 0.359 0.000 2.313 979 L HA 0.583 4.922 4.340 -0.001 0.000 0.283 979 L C -0.807 176.258 176.870 0.326 0.000 1.013 979 L CA -0.580 54.463 54.840 0.338 0.000 0.816 979 L CB 1.592 43.847 42.059 0.327 0.000 1.236 979 L HN 0.745 nan 8.230 nan 0.000 0.419 980 H N 4.081 123.304 119.070 0.255 0.000 2.529 980 H HA 0.462 5.017 4.556 -0.001 0.000 0.348 980 H C -1.104 174.312 175.328 0.147 0.000 1.079 980 H CA -0.598 55.568 56.048 0.197 0.000 1.198 980 H CB 1.513 31.456 29.762 0.303 0.000 1.521 980 H HN 0.445 nan 8.280 nan 0.000 0.514 981 R N 4.217 124.330 120.500 -0.644 0.000 2.437 981 R HA 0.309 4.648 4.340 -0.001 0.000 0.310 981 R C -0.420 175.459 176.300 -0.702 0.000 0.955 981 R CA -0.490 55.338 56.100 -0.452 0.000 0.851 981 R CB 1.484 31.646 30.300 -0.230 0.000 1.161 981 R HN 0.786 nan 8.270 nan 0.000 0.446 982 T N 1.376 115.692 114.554 -0.398 0.000 2.865 982 T HA 0.222 4.571 4.350 -0.001 0.000 0.302 982 T C -0.565 173.976 174.700 -0.265 0.000 1.078 982 T CA -0.477 61.490 62.100 -0.222 0.000 0.942 982 T CB 0.642 69.469 68.868 -0.068 0.000 1.387 982 T HN 0.668 nan 8.240 nan 0.000 0.557 983 N N 0.472 119.042 118.700 -0.216 0.000 2.410 983 N HA 0.471 5.211 4.740 -0.001 0.000 0.287 983 N C -1.541 173.820 175.510 -0.248 0.000 1.044 983 N CA -0.497 52.364 53.050 -0.315 0.000 0.881 983 N CB 0.715 38.865 38.487 -0.562 0.000 1.405 983 N HN 0.487 nan 8.380 nan 0.000 0.490 984 L N 2.717 123.785 121.223 -0.258 0.000 2.325 984 L HA 0.550 4.889 4.340 -0.001 0.000 0.278 984 L C 0.510 177.259 176.870 -0.201 0.000 1.023 984 L CA -0.981 53.738 54.840 -0.201 0.000 0.811 984 L CB 1.610 43.554 42.059 -0.191 0.000 1.249 984 L HN 0.382 nan 8.230 nan 0.000 0.431 985 M N 2.315 121.817 119.600 -0.163 0.000 2.249 985 M HA 0.077 4.556 4.480 -0.001 0.000 0.340 985 M C -0.201 176.015 176.300 -0.140 0.000 1.166 985 M CA -0.047 55.160 55.300 -0.156 0.000 1.115 985 M CB 0.347 32.862 32.600 -0.142 0.000 1.606 985 M HN 0.460 nan 8.290 nan 0.000 0.448 986 Q N 2.167 121.889 119.800 -0.130 0.000 2.323 986 Q HA 0.187 4.526 4.340 -0.001 0.000 0.257 986 Q C -0.216 175.729 176.000 -0.092 0.000 1.022 986 Q CA 0.123 55.862 55.803 -0.106 0.000 0.919 986 Q CB 0.872 29.551 28.738 -0.099 0.000 1.220 986 Q HN 0.794 nan 8.270 nan 0.000 0.427 987 c N 0.768 119.317 118.600 -0.084 0.000 2.976 987 c HA 0.385 4.954 4.570 -0.001 0.000 0.274 987 c C 1.331 175.384 174.090 -0.061 0.000 1.487 987 c CA 0.035 56.319 56.329 -0.075 0.000 1.789 987 c CB -0.395 42.065 42.510 -0.084 0.000 2.771 987 c HN 1.018 nan 8.230 nan 0.000 0.551 988 G N 1.176 109.942 108.800 -0.057 0.000 2.176 988 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.232 988 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.232 988 G C 0.090 174.965 174.900 -0.043 0.000 0.986 988 G CA 0.357 45.429 45.100 -0.046 0.000 0.643 988 G HN 0.444 nan 8.290 nan 0.000 0.522 989 T N 2.522 117.046 114.554 -0.049 0.000 2.737 989 T HA 0.439 4.788 4.350 -0.001 0.000 0.296 989 T C -0.538 174.135 174.700 -0.045 0.000 0.922 989 T CA -0.304 61.770 62.100 -0.045 0.000 1.079 989 T CB 1.741 70.579 68.868 -0.050 0.000 0.892 989 T HN 0.043 nan 8.240 nan 0.000 0.514 990 P HA -0.119 nan 4.420 nan 0.000 0.216 990 P C -0.071 177.202 177.300 -0.044 0.000 1.153 990 P CA 0.658 63.740 63.100 -0.030 0.000 0.858 990 P CB -0.068 31.625 31.700 -0.012 0.000 0.789 991 E N -0.162 120.005 120.200 -0.054 0.000 2.401 991 E HA -0.196 4.153 4.350 -0.001 0.000 0.272 991 E C 0.181 176.710 176.600 -0.118 0.000 1.895 991 E CA 0.387 56.730 56.400 -0.096 0.000 0.997 991 E CB -0.442 29.200 29.700 -0.097 0.000 0.834 991 E HN 0.372 nan 8.360 nan 0.000 0.334 992 E N 1.591 121.687 120.200 -0.173 0.000 2.678 992 E HA 0.186 4.535 4.350 -0.001 0.000 0.204 992 E C -0.029 176.367 176.600 -0.341 0.000 0.743 992 E CA -0.553 55.770 56.400 -0.130 0.000 1.082 992 E CB 0.016 29.776 29.700 0.102 0.000 1.721 992 E HN 0.679 nan 8.360 nan 0.000 0.390 993 H N 0.573 119.636 119.070 -0.010 0.000 1.931 993 H HA -0.139 4.417 4.556 -0.001 0.000 0.301 993 H C -0.676 174.660 175.328 0.012 0.000 0.787 993 H CA 0.968 57.014 56.048 -0.003 0.000 1.003 993 H CB -2.268 27.490 29.762 -0.007 0.000 1.514 993 H HN 0.358 nan 8.280 nan 0.000 0.265 994 T N 0.670 115.243 114.554 0.032 0.000 2.906 994 T HA 0.579 4.929 4.350 -0.001 0.000 0.295 994 T C -0.215 174.515 174.700 0.050 0.000 1.061 994 T CA -1.176 60.943 62.100 0.032 0.000 1.000 994 T CB 2.810 71.671 68.868 -0.011 0.000 1.103 994 T HN 0.571 nan 8.240 nan 0.000 0.486 995 Q N 0.884 120.724 119.800 0.066 0.000 2.222 995 Q HA 0.426 4.766 4.340 -0.001 0.000 0.252 995 Q C -0.347 175.674 176.000 0.034 0.000 0.926 995 Q CA -0.965 54.870 55.803 0.052 0.000 0.899 995 Q CB 1.850 30.630 28.738 0.070 0.000 1.250 995 Q HN 0.659 nan 8.270 nan 0.000 0.441 996 K N 1.788 122.196 120.400 0.014 0.000 2.412 996 K HA 0.110 4.430 4.320 -0.001 0.000 0.281 996 K C -1.027 175.570 176.600 -0.004 0.000 1.027 996 K CA -0.292 55.993 56.287 -0.003 0.000 0.989 996 K CB 0.364 32.853 32.500 -0.019 0.000 0.935 996 K HN 0.413 nan 8.250 nan 0.000 0.475 997 L N 4.704 125.921 121.223 -0.010 0.000 2.265 997 L HA 0.286 4.626 4.340 -0.001 0.000 0.289 997 L C -1.200 175.627 176.870 -0.072 0.000 1.033 997 L CA -0.024 54.802 54.840 -0.022 0.000 0.814 997 L CB 1.182 43.241 42.059 -0.000 0.000 1.203 997 L HN 0.639 nan 8.230 nan 0.000 0.423 998 D N 3.527 123.879 120.400 -0.081 0.000 2.472 998 D HA 0.148 4.787 4.640 -0.001 0.000 0.234 998 D C 1.093 177.290 176.300 -0.172 0.000 1.088 998 D CA -0.267 53.662 54.000 -0.119 0.000 0.882 998 D CB 1.222 41.999 40.800 -0.038 0.000 1.037 998 D HN 0.381 nan 8.370 nan 0.000 0.520 999 V N 1.358 121.069 119.914 -0.339 0.000 2.720 999 V HA -0.182 3.938 4.120 -0.001 0.000 0.256 999 V C 2.146 177.901 176.094 -0.566 0.000 1.082 999 V CA 1.056 62.974 62.300 -0.637 0.000 1.101 999 V CB -1.071 30.093 31.823 -1.099 0.000 0.693 999 V HN 0.599 nan 8.190 nan 0.000 0.479 1000 c N 0.619 119.022 118.600 -0.328 0.000 2.437 1000 c HA -0.004 4.565 4.570 -0.001 0.000 0.283 1000 c C 2.129 176.085 174.090 -0.223 0.000 1.424 1000 c CA 1.328 57.529 56.329 -0.214 0.000 1.782 1000 c CB -1.711 40.667 42.510 -0.221 0.000 1.833 1000 c HN 0.783 nan 8.230 nan 0.000 0.532 1001 H N -0.964 118.069 119.070 -0.060 0.000 2.542 1001 H HA 0.262 4.818 4.556 -0.001 0.000 0.283 1001 H C 1.684 177.041 175.328 0.048 0.000 1.059 1001 H CA -0.012 56.048 56.048 0.020 0.000 1.162 1001 H CB 0.033 29.790 29.762 -0.007 0.000 1.539 1001 H HN 0.347 nan 8.280 nan 0.000 0.543 1002 L N -0.283 120.992 121.223 0.087 0.000 2.141 1002 L HA -0.038 4.302 4.340 -0.001 0.000 0.209 1002 L C -0.089 176.927 176.870 0.243 0.000 1.094 1002 L CA 0.701 55.628 54.840 0.144 0.000 0.763 1002 L CB 0.099 42.217 42.059 0.098 0.000 0.908 1002 L HN 0.174 nan 8.230 nan 0.000 0.437 1003 L N -0.359 120.960 121.223 0.160 0.000 2.331 1003 L HA 0.408 4.747 4.340 -0.001 0.000 0.275 1003 L C -2.015 174.894 176.870 0.065 0.000 1.022 1003 L CA -1.671 53.184 54.840 0.024 0.000 0.812 1003 L CB 1.048 42.868 42.059 -0.398 0.000 1.257 1003 L HN -0.236 nan 8.230 nan 0.000 0.435 1004 P HA 0.147 nan 4.420 nan 0.000 0.276 1004 P C -0.832 176.596 177.300 0.212 0.000 1.261 1004 P CA -0.260 62.915 63.100 0.125 0.000 0.800 1004 P CB 0.513 32.263 31.700 0.083 0.000 1.066 1005 N N -2.860 115.943 118.700 0.172 0.000 2.740 1005 N HA -0.132 4.607 4.740 -0.001 0.000 0.248 1005 N C -0.028 175.573 175.510 0.152 0.000 1.062 1005 N CA 0.410 53.550 53.050 0.149 0.000 0.704 1005 N CB -2.125 36.439 38.487 0.128 0.000 0.968 1005 N HN 0.317 nan 8.380 nan 0.000 0.547 1006 V N 0.101 120.057 119.914 0.069 0.000 2.572 1006 V HA 0.383 4.503 4.120 -0.001 0.000 0.291 1006 V C 1.332 177.318 176.094 -0.181 0.000 1.039 1006 V CA 1.001 63.145 62.300 -0.260 0.000 1.055 1006 V CB 1.293 32.876 31.823 -0.401 0.000 0.969 1006 V HN 0.450 nan 8.190 nan 0.000 0.482 1007 A N 6.992 129.683 122.820 -0.214 0.000 2.211 1007 A HA 0.479 4.799 4.320 -0.001 0.000 0.208 1007 A C 0.954 178.489 177.584 -0.082 0.000 1.250 1007 A CA -0.003 51.974 52.037 -0.099 0.000 0.935 1007 A CB 0.258 19.221 19.000 -0.061 0.000 0.982 1007 A HN 0.762 nan 8.150 nan 0.000 0.490 1008 R N -1.576 118.839 120.500 -0.141 0.000 2.629 1008 R HA 0.495 4.835 4.340 -0.001 0.000 0.266 1008 R C -2.334 173.892 176.300 -0.123 0.000 1.051 1008 R CA -0.340 55.718 56.100 -0.070 0.000 0.895 1008 R CB 1.613 31.924 30.300 0.018 0.000 1.246 1008 R HN 0.284 nan 8.270 nan 0.000 0.459 1009 c N 2.832 121.369 118.600 -0.105 0.000 2.446 1009 c HA 0.586 5.155 4.570 -0.001 0.000 0.329 1009 c C -1.224 172.855 174.090 -0.018 0.000 1.166 1009 c CA -0.223 56.059 56.329 -0.077 0.000 1.341 1009 c CB 1.073 43.508 42.510 -0.124 0.000 1.970 1009 c HN 0.911 nan 8.230 nan 0.000 0.452 1010 E N 3.081 123.334 120.200 0.089 0.000 2.266 1010 E HA 0.460 4.809 4.350 -0.001 0.000 0.268 1010 E C -0.906 175.831 176.600 0.229 0.000 0.879 1010 E CA -0.611 55.872 56.400 0.139 0.000 0.762 1010 E CB 1.927 31.705 29.700 0.130 0.000 1.199 1010 E HN 0.645 nan 8.360 nan 0.000 0.422 1011 R N 1.445 122.064 120.500 0.198 0.000 2.357 1011 R HA 0.380 4.719 4.340 -0.001 0.000 0.296 1011 R C -0.502 175.819 176.300 0.035 0.000 1.052 1011 R CA 0.111 56.262 56.100 0.084 0.000 0.988 1011 R CB 0.711 31.034 30.300 0.039 0.000 1.025 1011 R HN 0.718 nan 8.270 nan 0.000 0.469 1012 T N -0.525 114.026 114.554 -0.005 0.000 2.838 1012 T HA 0.357 4.706 4.350 -0.001 0.000 0.292 1012 T C -0.074 174.607 174.700 -0.031 0.000 1.113 1012 T CA -0.810 61.311 62.100 0.035 0.000 1.008 1012 T CB 1.277 70.238 68.868 0.154 0.000 1.259 1012 T HN 0.599 nan 8.240 nan 0.000 0.520 1013 T N 0.373 114.913 114.554 -0.024 0.000 2.855 1013 T HA 0.257 4.606 4.350 -0.001 0.000 0.314 1013 T C 1.700 176.315 174.700 -0.142 0.000 1.077 1013 T CA -0.770 61.292 62.100 -0.064 0.000 1.095 1013 T CB -0.040 68.808 68.868 -0.034 0.000 0.987 1013 T HN 0.577 nan 8.240 nan 0.000 0.546 1014 L N 1.131 122.254 121.223 -0.167 0.000 2.349 1014 L HA -0.070 4.269 4.340 -0.001 0.000 0.220 1014 L C 2.760 179.330 176.870 -0.499 0.000 1.130 1014 L CA 1.499 56.175 54.840 -0.273 0.000 0.791 1014 L CB -1.210 40.776 42.059 -0.123 0.000 0.918 1014 L HN 0.972 nan 8.230 nan 0.000 0.444 1015 T N -4.949 109.410 114.554 -0.325 0.000 3.107 1015 T HA 0.069 4.419 4.350 -0.001 0.000 0.249 1015 T C 0.835 175.402 174.700 -0.223 0.000 1.096 1015 T CA -0.252 61.682 62.100 -0.276 0.000 1.012 1015 T CB -0.311 68.532 68.868 -0.041 0.000 0.977 1015 T HN 0.320 nan 8.240 nan 0.000 0.527 1016 F N -0.591 119.374 119.950 0.026 0.000 2.871 1016 F HA -0.238 4.288 4.527 -0.001 0.000 0.326 1016 F C 1.136 176.941 175.800 0.008 0.000 0.675 1016 F CA 0.195 58.204 58.000 0.015 0.000 1.188 1016 F CB -2.169 36.837 39.000 0.010 0.000 1.567 1016 F HN 0.214 nan 8.300 nan 0.000 0.325 1017 L N -0.580 120.715 121.223 0.121 0.000 2.418 1017 L HA 0.044 4.383 4.340 -0.001 0.000 0.218 1017 L C 1.051 177.947 176.870 0.043 0.000 1.125 1017 L CA 1.065 55.950 54.840 0.073 0.000 0.835 1017 L CB 0.024 42.108 42.059 0.041 0.000 0.953 1017 L HN 0.338 nan 8.230 nan 0.000 0.454 1018 Q N 0.556 120.381 119.800 0.041 0.000 2.285 1018 Q HA 0.261 4.600 4.340 -0.001 0.000 0.269 1018 Q C -1.177 174.845 176.000 0.036 0.000 1.030 1018 Q CA -0.698 55.119 55.803 0.023 0.000 0.788 1018 Q CB 1.804 30.540 28.738 -0.004 0.000 1.266 1018 Q HN 0.094 nan 8.270 nan 0.000 0.438 1019 N N 4.429 123.152 118.700 0.039 0.000 2.470 1019 N HA 0.166 4.906 4.740 -0.001 0.000 0.268 1019 N C 0.273 175.805 175.510 0.037 0.000 1.136 1019 N CA 0.286 53.367 53.050 0.052 0.000 0.961 1019 N CB 1.035 39.557 38.487 0.058 0.000 1.067 1019 N HN 0.647 nan 8.380 nan 0.000 0.468 1020 L N 0.536 121.782 121.223 0.039 0.000 2.609 1020 L HA 0.312 4.651 4.340 -0.001 0.000 0.230 1020 L C 0.548 177.445 176.870 0.044 0.000 1.064 1020 L CA 0.315 55.170 54.840 0.025 0.000 0.873 1020 L CB 0.388 42.448 42.059 0.002 0.000 1.139 1020 L HN 0.507 nan 8.230 nan 0.000 0.490 1021 E N -0.452 119.789 120.200 0.069 0.000 2.321 1021 E HA 0.165 4.515 4.350 -0.001 0.000 0.281 1021 E C -1.387 175.289 176.600 0.127 0.000 0.910 1021 E CA -0.625 55.830 56.400 0.091 0.000 0.770 1021 E CB 1.579 31.325 29.700 0.077 0.000 1.225 1021 E HN 0.069 nan 8.360 nan 0.000 0.417 1022 H N 4.839 123.935 119.070 0.043 0.000 2.652 1022 H HA 0.367 4.923 4.556 -0.001 0.000 0.298 1022 H C -1.005 174.348 175.328 0.043 0.000 1.076 1022 H CA -0.184 55.887 56.048 0.038 0.000 1.360 1022 H CB 0.380 30.155 29.762 0.022 0.000 1.421 1022 H HN 0.338 nan 8.280 nan 0.000 0.464 1023 L N 4.912 125.911 121.223 -0.375 0.000 2.276 1023 L HA 0.210 4.550 4.340 -0.001 0.000 0.286 1023 L C 0.154 176.850 176.870 -0.289 0.000 1.061 1023 L CA -0.840 53.856 54.840 -0.239 0.000 0.807 1023 L CB 0.797 42.792 42.059 -0.106 0.000 1.177 1023 L HN 0.653 nan 8.230 nan 0.000 0.429 1024 D N 2.600 122.914 120.400 -0.143 0.000 2.455 1024 D HA 0.149 4.788 4.640 -0.001 0.000 0.241 1024 D C 1.222 177.487 176.300 -0.059 0.000 1.138 1024 D CA 1.209 55.161 54.000 -0.080 0.000 0.877 1024 D CB 1.248 42.031 40.800 -0.027 0.000 1.187 1024 D HN 0.830 nan 8.370 nan 0.000 0.451 1025 G N 2.714 111.495 108.800 -0.032 0.000 2.186 1025 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.266 1025 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.266 1025 G C 0.747 175.668 174.900 0.036 0.000 0.982 1025 G CA 0.531 45.632 45.100 0.003 0.000 0.670 1025 G HN 0.651 nan 8.290 nan 0.000 0.533 1026 M N -2.563 117.016 119.600 -0.035 0.000 2.393 1026 M HA -0.185 4.294 4.480 -0.001 0.000 0.201 1026 M C -0.016 176.294 176.300 0.016 0.000 0.403 1026 M CA 0.833 56.097 55.300 -0.060 0.000 0.471 1026 M CB -1.860 30.694 32.600 -0.077 0.000 1.669 1026 M HN 0.210 nan 8.290 nan 0.000 0.864 1027 V N 0.825 120.734 119.914 -0.008 0.000 2.384 1027 V HA 0.703 4.822 4.120 -0.001 0.000 0.287 1027 V C 0.596 176.604 176.094 -0.143 0.000 1.020 1027 V CA -0.367 61.923 62.300 -0.016 0.000 0.850 1027 V CB 1.810 33.622 31.823 -0.019 0.000 0.987 1027 V HN 0.415 nan 8.190 nan 0.000 0.436 1028 A N 8.626 131.280 122.820 -0.276 0.000 2.343 1028 A HA 0.659 4.978 4.320 -0.001 0.000 0.305 1028 A C -2.049 175.250 177.584 -0.474 0.000 1.308 1028 A CA -1.295 50.355 52.037 -0.644 0.000 0.949 1028 A CB -0.114 18.216 19.000 -1.116 0.000 1.148 1028 A HN 0.609 nan 8.150 nan 0.000 0.545 1029 P HA 0.141 nan 4.420 nan 0.000 0.272 1029 P C -0.285 176.990 177.300 -0.041 0.000 1.230 1029 P CA -0.089 62.953 63.100 -0.096 0.000 0.788 1029 P CB 0.758 32.456 31.700 -0.002 0.000 0.949 1030 E N -0.222 119.974 120.200 -0.006 0.000 2.374 1030 E HA 0.266 4.616 4.350 -0.001 0.000 0.260 1030 E C 0.172 176.819 176.600 0.078 0.000 1.101 1030 E CA -0.932 55.492 56.400 0.040 0.000 0.907 1030 E CB 0.692 30.398 29.700 0.011 0.000 1.014 1030 E HN 0.316 nan 8.360 nan 0.000 0.427 1031 V N -1.247 118.719 119.914 0.088 0.000 3.134 1031 V HA 0.316 4.435 4.120 -0.001 0.000 0.313 1031 V C 0.170 176.264 176.094 0.000 0.000 1.069 1031 V CA -1.021 61.316 62.300 0.061 0.000 1.048 1031 V CB 1.119 32.982 31.823 0.066 0.000 1.119 1031 V HN 0.738 nan 8.190 nan 0.000 0.461 1032 c N 2.276 120.870 118.600 -0.010 0.000 2.500 1032 c HA 0.471 5.041 4.570 -0.001 0.000 0.367 1032 c C -2.111 171.920 174.090 -0.097 0.000 1.283 1032 c CA -0.439 55.866 56.329 -0.040 0.000 2.456 1032 c CB 0.107 42.610 42.510 -0.010 0.000 2.457 1032 c HN 0.821 nan 8.230 nan 0.000 0.632 1033 P HA 0.057 nan 4.420 nan 0.000 0.264 1033 P C 0.252 177.394 177.300 -0.265 0.000 1.193 1033 P CA 0.917 63.880 63.100 -0.227 0.000 0.763 1033 P CB 0.178 31.729 31.700 -0.250 0.000 0.810 1034 M N -1.022 118.372 119.600 -0.344 0.000 2.939 1034 M HA -0.177 4.303 4.480 -0.001 0.000 0.194 1034 M C -0.127 176.143 176.300 -0.050 0.000 0.617 1034 M CA 1.363 56.436 55.300 -0.377 0.000 0.734 1034 M CB -2.004 30.068 32.600 -0.880 0.000 2.637 1034 M HN 0.416 nan 8.290 nan 0.000 0.316 1035 E N 0.323 120.497 120.200 -0.043 0.000 2.227 1035 E HA 0.734 5.083 4.350 -0.001 0.000 0.268 1035 E C 0.062 176.712 176.600 0.085 0.000 0.990 1035 E CA -0.123 56.341 56.400 0.106 0.000 0.856 1035 E CB 1.491 31.224 29.700 0.054 0.000 1.159 1035 E HN 0.153 nan 8.360 nan 0.000 0.401 1036 T N 0.394 115.021 114.554 0.121 0.000 2.921 1036 T HA 0.691 5.041 4.350 -0.001 0.000 0.297 1036 T C -0.891 173.812 174.700 0.006 0.000 1.013 1036 T CA -0.678 61.497 62.100 0.125 0.000 0.990 1036 T CB 1.630 70.587 68.868 0.147 0.000 1.023 1036 T HN 0.522 nan 8.240 nan 0.000 0.447 1037 A N 1.848 124.675 122.820 0.011 0.000 2.527 1037 A HA 1.011 5.330 4.320 -0.001 0.000 0.293 1037 A C -1.130 176.351 177.584 -0.171 0.000 1.117 1037 A CA -0.954 50.990 52.037 -0.155 0.000 0.723 1037 A CB 1.554 20.401 19.000 -0.256 0.000 1.313 1037 A HN 1.155 nan 8.150 nan 0.000 0.411 1038 A N 0.186 122.814 122.820 -0.320 0.000 2.386 1038 A HA 0.818 5.137 4.320 -0.001 0.000 0.311 1038 A C -1.518 175.921 177.584 -0.241 0.000 1.068 1038 A CA -0.350 51.636 52.037 -0.085 0.000 0.743 1038 A CB 0.743 19.722 19.000 -0.035 0.000 1.258 1038 A HN 0.853 nan 8.150 nan 0.000 0.429 1039 Y N 0.165 120.673 120.300 0.348 0.000 2.512 1039 Y HA 0.598 5.148 4.550 -0.001 0.000 0.348 1039 Y C -0.243 175.816 175.900 0.266 0.000 0.990 1039 Y CA -0.947 57.302 58.100 0.249 0.000 1.033 1039 Y CB 2.606 41.162 38.460 0.160 0.000 1.259 1039 Y HN 0.419 nan 8.280 nan 0.000 0.461 1040 V N 2.207 122.310 119.914 0.315 0.000 2.531 1040 V HA 0.478 4.598 4.120 -0.001 0.000 0.301 1040 V C -0.762 175.404 176.094 0.120 0.000 1.034 1040 V CA -0.900 61.484 62.300 0.140 0.000 0.865 1040 V CB 1.802 33.652 31.823 0.046 0.000 0.995 1040 V HN 0.825 nan 8.190 nan 0.000 0.424 1041 S N 3.247 119.022 115.700 0.125 0.000 2.525 1041 S HA 0.753 5.222 4.470 -0.001 0.000 0.290 1041 S C -0.294 174.240 174.600 -0.109 0.000 1.152 1041 S CA -0.630 57.568 58.200 -0.003 0.000 1.072 1041 S CB 1.701 64.964 63.200 0.105 0.000 1.027 1041 S HN 0.560 nan 8.310 nan 0.000 0.500 1042 S N 2.413 117.935 115.700 -0.297 0.000 2.472 1042 S HA 0.538 5.007 4.470 -0.001 0.000 0.303 1042 S C -0.871 173.419 174.600 -0.516 0.000 1.099 1042 S CA -0.772 57.291 58.200 -0.227 0.000 1.077 1042 S CB 0.494 63.629 63.200 -0.107 0.000 1.031 1042 S HN 0.776 nan 8.310 nan 0.000 0.487 1043 H N 0.840 119.901 119.070 -0.015 0.000 2.717 1043 H HA 0.496 5.052 4.556 -0.001 0.000 0.366 1043 H C -0.219 175.106 175.328 -0.004 0.000 1.132 1043 H CA -0.601 55.440 56.048 -0.011 0.000 1.180 1043 H CB 1.965 31.723 29.762 -0.008 0.000 1.678 1043 H HN 0.684 nan 8.280 nan 0.000 0.537 1044 S N 0.000 115.751 115.700 0.086 0.000 2.498 1044 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.233 58.200 0.055 0.000 1.107 1044 S CB 0.000 63.218 63.200 0.029 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517