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 1r33_1_A DATA FIRST_RESID 31 DATA SEQUENCE cQDVVQDVPN VDVQMLELYD RMSFKDIDGG VWKQGWNIKY DPLKYNAHHK DATA SEQUENCE LKVFVVPHSH NDPGWIQTFE EYYQHDTKHI LSNALRHLHD NPEMKFIWAE DATA SEQUENCE ISYFARFYHD LGENKKLQMK SIVKNGQLEF VTGGWVMPDE ANSHWRNVLL DATA SEQUENCE QLTEGQTWLK QFMNVTPTAS WAIDPFGHSP TMPYILQKSG FKNMLIQRTH DATA SEQUENCE YSVKKELAQQ RQLEFLWRQI WDNKGDTALF THMMPFYSYD IPHTcGPDPK DATA SEQUENCE VccQFDFKRM GSFGLScPWK VPPRTISDQN VAARSDLLVD QWKKKAELYR DATA SEQUENCE TNVLLIPLGD DFRFKQNTEW DVQRVNYERL FEHINSQAHF NVQAQFGTLQ DATA SEQUENCE EYFDAVHQAE RAGQAEFPTL SGDFFTYADR SDNYWSGYYT SRPYHKRMDR DATA SEQUENCE VLMHYVRAAE MLSAWHSWDG MARIEERLEQ ARRELSLFQH HDGITGTAKT DATA SEQUENCE HVVVDYEQRM QEALKACQMV MQQSVYRLLT KPSIYSPDFS FSYFTLDDSR DATA SEQUENCE WPGSGVEDSR TTIILGEDIL PSKHVVMHNT LPHWREQLVD FYVSSPFVSV DATA SEQUENCE TDLANNPVEA QVSPVWSWHH DTLTKTIHPQ GSTTKYRIIF KARVPPMGLA DATA SEQUENCE TYVLTISDSK PEHTSYASNL LLRKNPTSLP LGQYPEDVKF GDPREISLRV DATA SEQUENCE GNGPTLAFSE QGLLKSIQLT QDSPHVPVHF KFLKYGVRSH GDRSGAYLFL DATA SEQUENCE PNGPASPVEL GQPVVLVTKG KLESSVSVGL PSVVHQTIMR GGAPEIRNLV DATA SEQUENCE DIGSLDNTEI VMRLETHIDS GDIFYTDLNG LQFIKRRRLD KLPLQANYYP DATA SEQUENCE IPSGMFIEDA NTRLTLLTGQ PLGGSSLASG ELEIMQDRRL ASDDERGLGQ DATA SEQUENCE GVLDNKPVLH IYRLVLEKVN NcVRPSKLHP AGYLTSAAHK ASQSLLDPLD DATA SEQUENCE KFIFAENEWI GAQGQFGGDH PSAREDLDVS VMRRLTKSSA KTQRVGYVLH DATA SEQUENCE RTNLMQcGTP EEHTQKLDVc HLLPNVARcE RTTLTFLQNL EHLDGMVAPE DATA SEQUENCE VcPMETAAYV SSHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 31 c HA 0.000 nan 4.570 nan 0.000 0.325 31 c C 0.000 174.104 174.090 0.024 0.000 1.270 31 c CA 0.000 56.338 56.329 0.015 0.000 1.963 31 c CB 0.000 42.505 42.510 -0.008 0.000 2.134 32 Q N 1.414 121.245 119.800 0.052 0.000 2.421 32 Q HA 0.143 4.483 4.340 -0.001 0.000 0.255 32 Q C -0.134 175.900 176.000 0.057 0.000 1.013 32 Q CA 0.399 56.248 55.803 0.076 0.000 0.895 32 Q CB 0.797 29.617 28.738 0.136 0.000 1.271 32 Q HN 0.670 nan 8.270 nan 0.000 0.460 33 D N 1.318 121.754 120.400 0.060 0.000 2.295 33 D HA 0.074 4.713 4.640 -0.001 0.000 0.248 33 D C 0.389 176.739 176.300 0.084 0.000 1.154 33 D CA -0.243 53.773 54.000 0.026 0.000 0.857 33 D CB 1.379 42.194 40.800 0.024 0.000 1.117 33 D HN 0.371 nan 8.370 nan 0.000 0.468 34 V N 2.165 122.080 119.914 0.001 0.000 3.596 34 V HA 0.109 4.228 4.120 -0.001 0.000 0.289 34 V C 1.023 177.169 176.094 0.087 0.000 1.336 34 V CA 0.093 62.457 62.300 0.107 0.000 1.137 34 V CB 0.196 31.900 31.823 -0.199 0.000 0.966 34 V HN 0.393 nan 8.190 nan 0.000 0.428 35 V N -0.017 119.864 119.914 -0.055 0.000 2.911 35 V HA 0.087 4.207 4.120 -0.001 0.000 0.237 35 V C 2.293 178.355 176.094 -0.052 0.000 1.156 35 V CA 1.195 63.413 62.300 -0.136 0.000 1.180 35 V CB 0.007 31.705 31.823 -0.208 0.000 0.932 35 V HN 0.477 nan 8.190 nan 0.000 0.483 36 Q N -0.047 119.773 119.800 0.033 0.000 2.392 36 Q HA 0.109 4.448 4.340 -0.001 0.000 0.203 36 Q C -0.486 175.597 176.000 0.138 0.000 0.917 36 Q CA 0.381 56.228 55.803 0.074 0.000 0.939 36 Q CB 0.469 29.225 28.738 0.030 0.000 1.063 36 Q HN 0.510 nan 8.270 nan 0.000 0.516 37 D N 1.163 121.680 120.400 0.195 0.000 2.453 37 D HA 0.178 4.817 4.640 -0.001 0.000 0.238 37 D C -0.712 175.707 176.300 0.199 0.000 1.088 37 D CA -0.286 53.812 54.000 0.164 0.000 0.854 37 D CB 2.153 43.027 40.800 0.124 0.000 1.076 37 D HN -0.171 nan 8.370 nan 0.000 0.533 38 V N 4.329 124.330 119.914 0.145 0.000 2.479 38 V HA 0.109 4.228 4.120 -0.001 0.000 0.281 38 V C -1.806 174.268 176.094 -0.032 0.000 1.031 38 V CA -1.026 61.279 62.300 0.008 0.000 1.038 38 V CB 0.296 32.129 31.823 0.017 0.000 0.981 38 V HN 0.307 nan 8.190 nan 0.000 0.478 39 P HA 0.089 nan 4.420 nan 0.000 0.268 39 P C -0.462 176.809 177.300 -0.048 0.000 1.205 39 P CA -0.099 62.969 63.100 -0.054 0.000 0.771 39 P CB 0.337 31.984 31.700 -0.088 0.000 0.858 40 N N 2.659 121.346 118.700 -0.021 0.000 2.462 40 N HA 0.355 5.094 4.740 -0.001 0.000 0.242 40 N C -1.030 174.471 175.510 -0.015 0.000 1.010 40 N CA -0.508 52.532 53.050 -0.017 0.000 0.939 40 N CB 0.215 38.701 38.487 -0.002 0.000 1.127 40 N HN 0.109 nan 8.380 nan 0.000 0.509 41 V N 0.450 120.348 119.914 -0.028 0.000 3.001 41 V HA 0.537 4.656 4.120 -0.001 0.000 0.314 41 V C 0.560 176.640 176.094 -0.024 0.000 1.099 41 V CA -0.737 61.550 62.300 -0.021 0.000 0.989 41 V CB 2.018 33.817 31.823 -0.039 0.000 1.040 41 V HN 0.420 nan 8.190 nan 0.000 0.434 42 D N 0.849 121.243 120.400 -0.011 0.000 2.144 42 D HA 0.013 4.652 4.640 -0.001 0.000 0.200 42 D C 0.491 176.763 176.300 -0.047 0.000 0.978 42 D CA 1.621 55.613 54.000 -0.014 0.000 0.833 42 D CB 0.444 41.252 40.800 0.014 0.000 0.961 42 D HN 0.419 nan 8.370 nan 0.000 0.470 43 V N 1.470 121.334 119.914 -0.083 0.000 2.525 43 V HA 0.212 4.331 4.120 -0.001 0.000 0.299 43 V C -0.355 175.643 176.094 -0.161 0.000 1.034 43 V CA -0.752 61.469 62.300 -0.132 0.000 0.863 43 V CB 2.421 34.122 31.823 -0.203 0.000 0.999 43 V HN -0.079 nan 8.190 nan 0.000 0.423 44 Q N 4.547 124.264 119.800 -0.138 0.000 2.341 44 Q HA 0.436 4.776 4.340 -0.001 0.000 0.268 44 Q C 0.423 176.323 176.000 -0.167 0.000 1.013 44 Q CA -0.699 55.013 55.803 -0.151 0.000 0.798 44 Q CB 1.919 30.589 28.738 -0.113 0.000 1.253 44 Q HN 0.680 nan 8.270 nan 0.000 0.457 45 M N 3.061 122.512 119.600 -0.247 0.000 2.213 45 M HA -0.161 4.319 4.480 -0.001 0.000 0.263 45 M C 1.593 177.784 176.300 -0.182 0.000 1.062 45 M CA 0.960 56.098 55.300 -0.270 0.000 1.105 45 M CB -0.772 31.526 32.600 -0.503 0.000 1.385 45 M HN 0.551 nan 8.290 nan 0.000 0.417 46 L N 0.626 121.742 121.223 -0.179 0.000 2.109 46 L HA -0.100 4.240 4.340 -0.001 0.000 0.207 46 L C 2.465 179.330 176.870 -0.008 0.000 1.086 46 L CA 1.767 56.538 54.840 -0.115 0.000 0.760 46 L CB -0.647 41.318 42.059 -0.156 0.000 0.910 46 L HN 0.252 nan 8.230 nan 0.000 0.437 47 E N -0.323 119.856 120.200 -0.034 0.000 2.072 47 E HA -0.229 4.120 4.350 -0.001 0.000 0.191 47 E C 2.196 178.809 176.600 0.022 0.000 0.985 47 E CA 1.429 57.823 56.400 -0.010 0.000 0.801 47 E CB -0.305 29.375 29.700 -0.034 0.000 0.750 47 E HN 0.436 nan 8.360 nan 0.000 0.452 48 L N 0.577 121.812 121.223 0.019 0.000 2.012 48 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 48 L C 2.305 179.246 176.870 0.117 0.000 1.073 48 L CA 1.714 56.574 54.840 0.034 0.000 0.748 48 L CB -1.008 41.060 42.059 0.016 0.000 0.891 48 L HN 0.134 nan 8.230 nan 0.000 0.431 49 Y N -0.108 120.193 120.300 0.002 0.000 2.224 49 Y HA -0.244 4.306 4.550 -0.001 0.000 0.289 49 Y C 2.559 178.553 175.900 0.156 0.000 1.146 49 Y CA 1.657 59.847 58.100 0.150 0.000 1.182 49 Y CB -0.664 37.887 38.460 0.152 0.000 0.983 49 Y HN 0.371 nan 8.280 nan 0.000 0.524 50 D N -0.492 120.018 120.400 0.185 0.000 2.178 50 D HA -0.135 4.504 4.640 -0.001 0.000 0.202 50 D C 2.286 178.626 176.300 0.066 0.000 0.974 50 D CA 1.110 55.172 54.000 0.104 0.000 0.841 50 D CB -0.035 40.801 40.800 0.059 0.000 0.953 50 D HN 0.175 nan 8.370 nan 0.000 0.478 51 R N -1.078 119.444 120.500 0.037 0.000 2.140 51 R HA 0.155 4.495 4.340 -0.001 0.000 0.213 51 R C 0.660 176.937 176.300 -0.038 0.000 1.059 51 R CA 0.057 56.155 56.100 -0.004 0.000 1.000 51 R CB 0.124 30.409 30.300 -0.025 0.000 0.910 51 R HN 0.208 nan 8.270 nan 0.000 0.455 52 M N 0.234 119.777 119.600 -0.095 0.000 2.248 52 M HA -0.032 4.447 4.480 -0.001 0.000 0.337 52 M C 1.328 177.576 176.300 -0.086 0.000 1.121 52 M CA 0.268 55.415 55.300 -0.255 0.000 1.155 52 M CB 1.462 33.609 32.600 -0.754 0.000 1.514 52 M HN 0.027 nan 8.290 nan 0.000 0.452 53 S N 0.804 116.447 115.700 -0.096 0.000 2.517 53 S HA 0.142 4.612 4.470 -0.001 0.000 0.214 53 S C 0.560 175.288 174.600 0.213 0.000 0.991 53 S CA -0.361 57.885 58.200 0.076 0.000 0.906 53 S CB -0.201 63.013 63.200 0.023 0.000 0.789 53 S HN 0.759 nan 8.310 nan 0.000 0.513 54 F N 0.925 120.808 119.950 -0.112 0.000 3.093 54 F HA -0.153 4.373 4.527 -0.001 0.000 0.287 54 F C 0.243 176.060 175.800 0.028 0.000 0.882 54 F CA 0.323 58.265 58.000 -0.097 0.000 1.063 54 F CB -1.880 37.032 39.000 -0.146 0.000 1.097 54 F HN 0.109 nan 8.300 nan 0.000 0.604 55 K N 1.037 121.525 120.400 0.146 0.000 2.350 55 K HA 0.157 4.477 4.320 -0.001 0.000 0.279 55 K C 0.277 176.995 176.600 0.196 0.000 1.027 55 K CA -0.155 56.220 56.287 0.147 0.000 0.969 55 K CB 0.582 33.128 32.500 0.077 0.000 0.954 55 K HN 0.077 nan 8.250 nan 0.000 0.474 56 D N 3.553 124.077 120.400 0.206 0.000 2.557 56 D HA 0.163 4.802 4.640 -0.001 0.000 0.236 56 D C -0.194 176.150 176.300 0.073 0.000 1.154 56 D CA -0.487 53.636 54.000 0.206 0.000 0.985 56 D CB -0.507 40.423 40.800 0.216 0.000 1.010 56 D HN 0.485 nan 8.370 nan 0.000 0.516 57 I N -1.202 119.398 120.570 0.050 0.000 2.577 57 I HA 0.495 4.665 4.170 -0.001 0.000 0.305 57 I C 0.035 176.139 176.117 -0.022 0.000 0.986 57 I CA -0.942 60.365 61.300 0.012 0.000 1.189 57 I CB 1.538 39.546 38.000 0.013 0.000 1.355 57 I HN -0.113 nan 8.210 nan 0.000 0.476 58 D N 4.090 124.476 120.400 -0.024 0.000 2.346 58 D HA 0.154 4.794 4.640 -0.001 0.000 0.260 58 D C 0.966 177.247 176.300 -0.032 0.000 1.252 58 D CA 0.118 54.097 54.000 -0.035 0.000 0.895 58 D CB 1.373 42.161 40.800 -0.020 0.000 1.097 58 D HN 0.821 nan 8.370 nan 0.000 0.489 59 G N 2.458 111.219 108.800 -0.066 0.000 3.088 59 G HA2 0.431 4.390 3.960 -0.001 0.000 0.212 59 G HA3 0.431 4.390 3.960 -0.001 0.000 0.212 59 G C 0.895 175.786 174.900 -0.015 0.000 1.173 59 G CA 0.354 45.418 45.100 -0.060 0.000 0.779 59 G HN 0.917 nan 8.290 nan 0.000 0.540 60 G N -0.568 108.230 108.800 -0.004 0.000 2.464 60 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.216 60 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.216 60 G C 1.214 176.128 174.900 0.024 0.000 1.186 60 G CA 0.705 45.816 45.100 0.018 0.000 1.010 60 G HN 1.112 nan 8.290 nan 0.000 0.585 61 V N -3.582 116.346 119.914 0.023 0.000 2.392 61 V HA 0.065 4.185 4.120 -0.001 0.000 0.249 61 V C 1.434 177.548 176.094 0.033 0.000 1.059 61 V CA 2.454 64.750 62.300 -0.006 0.000 1.051 61 V CB -0.541 31.245 31.823 -0.061 0.000 0.658 61 V HN 1.430 nan 8.190 nan 0.000 0.455 62 W N 2.586 123.788 121.300 -0.164 0.000 2.318 62 W HA 0.444 5.103 4.660 -0.001 0.000 0.362 62 W C 1.141 177.611 176.519 -0.081 0.000 0.978 62 W CA -1.846 55.386 57.345 -0.188 0.000 1.509 62 W CB 0.273 29.587 29.460 -0.243 0.000 1.437 62 W HN 0.064 nan 8.180 nan 0.000 0.361 63 K N 2.601 123.066 120.400 0.107 0.000 2.160 63 K HA -0.204 4.116 4.320 -0.001 0.000 0.206 63 K C 0.811 177.318 176.600 -0.156 0.000 1.047 63 K CA 1.573 57.839 56.287 -0.035 0.000 0.930 63 K CB 0.141 32.622 32.500 -0.033 0.000 0.720 63 K HN 0.562 nan 8.250 nan 0.000 0.450 64 Q N -0.781 118.885 119.800 -0.224 0.000 2.188 64 Q HA 0.160 4.500 4.340 -0.001 0.000 0.212 64 Q C 0.777 176.419 176.000 -0.597 0.000 0.846 64 Q CA -0.350 55.305 55.803 -0.246 0.000 0.989 64 Q CB 1.333 30.066 28.738 -0.009 0.000 1.114 64 Q HN 0.227 nan 8.270 nan 0.000 0.488 65 G N 0.662 108.688 108.800 -1.290 0.000 3.392 65 G HA2 0.535 4.494 3.960 -0.001 0.000 0.185 65 G HA3 0.535 4.494 3.960 -0.001 0.000 0.185 65 G C -1.482 173.089 174.900 -0.550 0.000 1.206 65 G CA -0.312 43.722 45.100 -1.778 0.000 0.776 65 G HN 0.354 nan 8.290 nan 0.000 0.697 66 W N -1.324 119.670 121.300 -0.510 0.000 2.959 66 W HA 0.621 5.281 4.660 -0.001 0.000 0.358 66 W C -1.472 175.119 176.519 0.121 0.000 1.228 66 W CA -1.181 56.096 57.345 -0.113 0.000 1.183 66 W CB 0.616 30.032 29.460 -0.074 0.000 1.467 66 W HN 0.195 nan 8.180 nan 0.000 0.578 67 N N 2.249 121.107 118.700 0.262 0.000 2.399 67 N HA 0.204 4.943 4.740 -0.001 0.000 0.259 67 N C -0.210 175.443 175.510 0.239 0.000 1.160 67 N CA 0.073 53.228 53.050 0.176 0.000 0.946 67 N CB 0.362 38.948 38.487 0.165 0.000 1.156 67 N HN 0.409 nan 8.380 nan 0.000 0.489 68 I N 2.053 122.667 120.570 0.073 0.000 2.588 68 I HA 0.012 4.181 4.170 -0.001 0.000 0.283 68 I C 0.862 177.140 176.117 0.269 0.000 1.119 68 I CA 0.355 61.769 61.300 0.190 0.000 1.419 68 I CB 0.493 38.550 38.000 0.095 0.000 1.394 68 I HN 0.130 nan 8.210 nan 0.000 0.562 69 K N 6.056 126.648 120.400 0.320 0.000 2.318 69 K HA 0.600 4.920 4.320 -0.001 0.000 0.249 69 K C -1.381 175.383 176.600 0.273 0.000 0.942 69 K CA -0.732 55.675 56.287 0.200 0.000 0.808 69 K CB 2.458 35.040 32.500 0.138 0.000 1.189 69 K HN 0.492 nan 8.250 nan 0.000 0.428 70 Y N -1.970 118.419 120.300 0.148 0.000 2.615 70 Y HA 0.417 4.967 4.550 -0.001 0.000 0.341 70 Y C -1.120 174.851 175.900 0.118 0.000 1.089 70 Y CA -1.502 56.686 58.100 0.146 0.000 1.049 70 Y CB 1.160 39.726 38.460 0.177 0.000 1.296 70 Y HN 0.384 nan 8.280 nan 0.000 0.470 71 D N 3.759 124.302 120.400 0.239 0.000 2.347 71 D HA 0.282 4.921 4.640 -0.001 0.000 0.235 71 D C -1.636 174.821 176.300 0.261 0.000 1.149 71 D CA -2.738 51.344 54.000 0.137 0.000 0.850 71 D CB 1.515 42.375 40.800 0.100 0.000 1.061 71 D HN 0.434 nan 8.370 nan 0.000 0.487 72 P HA -0.135 nan 4.420 nan 0.000 0.220 72 P C 1.383 178.829 177.300 0.243 0.000 1.144 72 P CA 0.729 64.020 63.100 0.319 0.000 0.800 72 P CB 0.353 32.174 31.700 0.202 0.000 0.772 73 L N -0.694 120.620 121.223 0.151 0.000 2.599 73 L HA 0.066 4.405 4.340 -0.001 0.000 0.230 73 L C 2.654 179.568 176.870 0.072 0.000 1.141 73 L CA 0.442 55.347 54.840 0.110 0.000 0.877 73 L CB -0.661 41.440 42.059 0.070 0.000 1.009 73 L HN -0.027 nan 8.230 nan 0.000 0.447 74 K N 0.420 120.846 120.400 0.042 0.000 2.097 74 K HA -0.132 4.187 4.320 -0.001 0.000 0.206 74 K C -0.022 176.428 176.600 -0.251 0.000 1.049 74 K CA 1.116 57.312 56.287 -0.152 0.000 0.933 74 K CB 0.093 32.433 32.500 -0.267 0.000 0.717 74 K HN 0.122 nan 8.250 nan 0.000 0.442 75 Y N 0.748 121.177 120.300 0.214 0.000 2.387 75 Y HA 0.218 4.767 4.550 -0.000 0.000 0.336 75 Y C -0.003 175.992 175.900 0.159 0.000 1.067 75 Y CA -0.986 57.236 58.100 0.202 0.000 1.114 75 Y CB 1.483 40.011 38.460 0.114 0.000 1.208 75 Y HN 0.264 nan 8.280 nan 0.000 0.458 76 N N -0.265 118.609 118.700 0.291 0.000 3.243 76 N HA 0.474 5.213 4.740 -0.001 0.000 0.280 76 N C -0.005 175.579 175.510 0.123 0.000 1.545 76 N CA -0.409 52.754 53.050 0.189 0.000 0.854 76 N CB 0.383 38.981 38.487 0.184 0.000 1.612 76 N HN 0.476 nan 8.380 nan 0.000 0.577 77 A N -1.111 121.717 122.820 0.013 0.000 1.986 77 A HA -0.199 4.121 4.320 -0.001 0.000 0.220 77 A C 1.088 178.509 177.584 -0.271 0.000 1.171 77 A CA 1.386 53.322 52.037 -0.169 0.000 0.640 77 A CB -1.143 17.678 19.000 -0.299 0.000 0.811 77 A HN 0.703 nan 8.150 nan 0.000 0.451 78 H N -3.100 116.030 119.070 0.099 0.000 2.553 78 H HA 0.086 4.641 4.556 -0.001 0.000 0.265 78 H C -0.158 175.276 175.328 0.176 0.000 0.964 78 H CA 0.848 56.959 56.048 0.104 0.000 1.156 78 H CB 0.175 29.986 29.762 0.082 0.000 1.411 78 H HN 0.699 nan 8.280 nan 0.000 0.558 79 H N 0.882 120.045 119.070 0.154 0.000 2.651 79 H HA 0.291 4.846 4.556 -0.001 0.000 0.252 79 H C -0.646 174.834 175.328 0.253 0.000 1.365 79 H CA -0.498 55.655 56.048 0.174 0.000 1.539 79 H CB 0.202 30.055 29.762 0.150 0.000 1.621 79 H HN -0.040 nan 8.280 nan 0.000 0.526 80 K N 1.882 122.266 120.400 -0.027 0.000 2.090 80 K HA 0.304 4.623 4.320 -0.001 0.000 0.250 80 K C -0.710 175.714 176.600 -0.293 0.000 1.004 80 K CA -1.228 55.013 56.287 -0.076 0.000 0.919 80 K CB 1.532 33.967 32.500 -0.108 0.000 1.045 80 K HN 0.227 nan 8.250 nan 0.000 0.471 81 L N 2.007 122.914 121.223 -0.527 0.000 2.265 81 L HA 0.202 4.542 4.340 -0.001 0.000 0.288 81 L C -0.950 175.635 176.870 -0.474 0.000 1.058 81 L CA 0.134 54.517 54.840 -0.762 0.000 0.809 81 L CB 0.384 41.794 42.059 -1.082 0.000 1.179 81 L HN 0.372 nan 8.230 nan 0.000 0.429 82 K N 4.426 124.581 120.400 -0.408 0.000 2.248 82 K HA 0.531 4.850 4.320 -0.001 0.000 0.281 82 K C -1.129 175.134 176.600 -0.561 0.000 1.054 82 K CA -0.513 55.499 56.287 -0.459 0.000 0.903 82 K CB 1.522 33.815 32.500 -0.345 0.000 1.077 82 K HN 0.420 nan 8.250 nan 0.000 0.474 83 V N 4.970 124.433 119.914 -0.752 0.000 2.384 83 V HA 0.363 4.483 4.120 -0.001 0.000 0.287 83 V C -0.870 174.670 176.094 -0.922 0.000 1.020 83 V CA -0.763 61.040 62.300 -0.827 0.000 0.850 83 V CB 0.648 31.794 31.823 -1.129 0.000 0.987 83 V HN 0.568 nan 8.190 nan 0.000 0.436 84 F N 3.765 123.460 119.950 -0.425 0.000 2.361 84 F HA 0.492 5.018 4.527 -0.001 0.000 0.364 84 F C 0.188 175.806 175.800 -0.304 0.000 1.117 84 F CA -0.703 57.104 58.000 -0.322 0.000 1.071 84 F CB 1.767 40.650 39.000 -0.195 0.000 1.188 84 F HN 0.184 nan 8.300 nan 0.000 0.464 85 V N 5.269 125.141 119.914 -0.069 0.000 2.385 85 V HA 0.273 4.392 4.120 -0.001 0.000 0.269 85 V C -0.235 175.959 176.094 0.167 0.000 1.043 85 V CA -0.615 61.712 62.300 0.044 0.000 0.906 85 V CB 1.272 33.192 31.823 0.161 0.000 0.995 85 V HN 0.429 nan 8.190 nan 0.000 0.467 86 V N 8.384 128.348 119.914 0.084 0.000 2.293 86 V HA 0.319 4.438 4.120 -0.001 0.000 0.275 86 V C -2.375 173.768 176.094 0.082 0.000 1.021 86 V CA -1.985 60.336 62.300 0.035 0.000 0.815 86 V CB 1.434 33.184 31.823 -0.121 0.000 1.025 86 V HN 0.718 nan 8.190 nan 0.000 0.448 87 P HA 0.329 nan 4.420 nan 0.000 0.271 87 P C -0.847 176.491 177.300 0.063 0.000 1.216 87 P CA 0.264 63.364 63.100 -0.001 0.000 0.771 87 P CB 0.350 31.865 31.700 -0.309 0.000 0.864 88 H N -1.039 118.074 119.070 0.071 0.000 2.990 88 H HA 0.800 5.356 4.556 -0.001 0.000 0.336 88 H C -1.475 173.993 175.328 0.234 0.000 1.306 88 H CA -1.137 54.850 56.048 -0.101 0.000 1.118 88 H CB 1.001 30.651 29.762 -0.186 0.000 1.856 88 H HN 0.195 nan 8.280 nan 0.000 0.538 89 S N 0.614 116.356 115.700 0.072 0.000 2.750 89 S HA 0.202 4.671 4.470 -0.001 0.000 0.276 89 S C -1.860 172.675 174.600 -0.108 0.000 1.165 89 S CA -0.661 57.614 58.200 0.125 0.000 1.047 89 S CB 0.165 63.625 63.200 0.433 0.000 1.056 89 S HN 0.840 nan 8.310 nan 0.000 0.481 90 H N 4.377 123.361 119.070 -0.144 0.000 2.800 90 H HA 0.416 4.971 4.556 -0.001 0.000 0.291 90 H C -0.083 174.832 175.328 -0.688 0.000 1.076 90 H CA 0.337 56.208 56.048 -0.296 0.000 1.452 90 H CB 0.255 29.929 29.762 -0.147 0.000 1.461 90 H HN 0.558 nan 8.280 nan 0.000 0.488 91 N N 5.624 123.675 118.700 -1.081 0.000 2.626 91 N HA 0.050 4.789 4.740 -0.001 0.000 0.242 91 N C -1.144 173.909 175.510 -0.762 0.000 1.005 91 N CA -0.600 51.632 53.050 -1.363 0.000 0.905 91 N CB 0.972 38.969 38.487 -0.816 0.000 1.128 91 N HN 0.656 nan 8.380 nan 0.000 0.512 92 D N 2.451 122.442 120.400 -0.681 0.000 2.401 92 D HA 0.078 4.718 4.640 -0.001 0.000 0.254 92 D C -2.062 174.300 176.300 0.105 0.000 1.192 92 D CA -0.734 53.147 54.000 -0.199 0.000 0.885 92 D CB 1.325 42.284 40.800 0.265 0.000 1.147 92 D HN 0.184 nan 8.370 nan 0.000 0.478 93 P HA 0.204 nan 4.420 nan 0.000 0.226 93 P C -0.118 177.393 177.300 0.350 0.000 1.783 93 P CA 0.045 63.163 63.100 0.031 0.000 0.980 93 P CB 0.274 31.849 31.700 -0.208 0.000 1.967 94 G N 0.447 109.633 108.800 0.643 0.000 2.911 94 G HA2 0.015 3.974 3.960 -0.001 0.000 0.686 94 G HA3 0.015 3.974 3.960 -0.001 0.000 0.686 94 G C -1.101 174.343 174.900 0.907 0.000 1.136 94 G CA -0.661 44.848 45.100 0.681 0.000 0.764 94 G HN 0.347 nan 8.290 nan 0.000 0.626 95 W N 1.968 123.616 121.300 0.579 0.000 4.489 95 W HA 0.208 4.867 4.660 -0.001 0.000 0.161 95 W C 1.601 178.303 176.519 0.305 0.000 3.472 95 W CA 1.217 58.870 57.345 0.515 0.000 1.144 95 W CB -0.847 29.002 29.460 0.649 0.000 2.110 95 W HN 0.959 nan 8.180 nan 0.000 0.358 96 I N 0.840 121.412 120.570 0.004 0.000 3.883 96 I HA 0.351 4.520 4.170 -0.001 0.000 0.326 96 I C 0.095 176.074 176.117 -0.229 0.000 1.283 96 I CA 0.385 61.498 61.300 -0.312 0.000 1.161 96 I CB 0.079 37.745 38.000 -0.557 0.000 1.012 96 I HN -0.002 nan 8.210 nan 0.000 0.421 97 Q N 1.475 120.997 119.800 -0.463 0.000 2.495 97 Q HA 0.381 4.721 4.340 -0.001 0.000 0.287 97 Q C -0.331 175.424 176.000 -0.408 0.000 1.078 97 Q CA -0.794 54.683 55.803 -0.544 0.000 0.793 97 Q CB 2.447 30.547 28.738 -1.064 0.000 1.459 97 Q HN 0.337 nan 8.270 nan 0.000 0.422 98 T N -2.094 112.332 114.554 -0.214 0.000 2.788 98 T HA 0.140 4.489 4.350 -0.001 0.000 0.287 98 T C 0.815 175.604 174.700 0.147 0.000 1.007 98 T CA -0.437 61.612 62.100 -0.084 0.000 1.005 98 T CB 0.310 69.159 68.868 -0.032 0.000 1.012 98 T HN 0.568 nan 8.240 nan 0.000 0.530 99 F N 1.202 121.223 119.950 0.118 0.000 2.065 99 F HA -0.138 4.388 4.527 -0.001 0.000 0.298 99 F C 2.484 178.471 175.800 0.313 0.000 1.112 99 F CA 2.376 60.522 58.000 0.244 0.000 1.212 99 F CB -0.392 38.639 39.000 0.053 0.000 0.975 99 F HN 0.780 nan 8.300 nan 0.000 0.476 100 E N 0.401 120.809 120.200 0.347 0.000 2.106 100 E HA -0.188 4.162 4.350 -0.001 0.000 0.192 100 E C 2.013 178.659 176.600 0.076 0.000 0.984 100 E CA 1.760 58.307 56.400 0.245 0.000 0.806 100 E CB -0.295 29.549 29.700 0.240 0.000 0.750 100 E HN 0.627 nan 8.360 nan 0.000 0.458 101 E N -1.018 119.155 120.200 -0.044 0.000 2.051 101 E HA -0.195 4.155 4.350 -0.001 0.000 0.192 101 E C 1.873 178.223 176.600 -0.415 0.000 0.991 101 E CA 1.197 57.384 56.400 -0.356 0.000 0.799 101 E CB -0.262 29.270 29.700 -0.281 0.000 0.748 101 E HN 0.354 nan 8.360 nan 0.000 0.449 102 Y N -0.472 119.744 120.300 -0.139 0.000 2.181 102 Y HA -0.256 4.294 4.550 -0.001 0.000 0.288 102 Y C 2.224 178.054 175.900 -0.117 0.000 1.146 102 Y CA 1.261 59.280 58.100 -0.135 0.000 1.164 102 Y CB -0.724 37.748 38.460 0.020 0.000 0.982 102 Y HN 0.187 nan 8.280 nan 0.000 0.515 103 Y N 0.913 121.223 120.300 0.017 0.000 2.128 103 Y HA -0.283 4.266 4.550 -0.001 0.000 0.284 103 Y C 2.281 178.152 175.900 -0.049 0.000 1.154 103 Y CA 1.854 59.917 58.100 -0.061 0.000 1.149 103 Y CB -0.390 38.032 38.460 -0.064 0.000 0.976 103 Y HN 0.066 nan 8.280 nan 0.000 0.505 104 Q N -0.634 119.069 119.800 -0.161 0.000 2.079 104 Q HA -0.168 4.172 4.340 -0.001 0.000 0.200 104 Q C 2.130 178.136 176.000 0.010 0.000 0.974 104 Q CA 2.142 57.845 55.803 -0.167 0.000 0.840 104 Q CB -0.589 28.118 28.738 -0.052 0.000 0.898 104 Q HN 0.778 nan 8.270 nan 0.000 0.430 105 H N -0.778 118.306 119.070 0.024 0.000 2.448 105 H HA 0.051 4.606 4.556 -0.001 0.000 0.292 105 H C 0.900 176.331 175.328 0.171 0.000 1.035 105 H CA 0.633 56.735 56.048 0.091 0.000 1.349 105 H CB 0.671 30.450 29.762 0.029 0.000 1.425 105 H HN 0.219 nan 8.280 nan 0.000 0.539 106 D N -1.074 119.450 120.400 0.207 0.000 2.954 106 D HA 0.005 4.644 4.640 -0.001 0.000 0.266 106 D C 1.721 178.093 176.300 0.120 0.000 1.277 106 D CA 0.465 54.582 54.000 0.195 0.000 1.130 106 D CB 0.064 40.909 40.800 0.075 0.000 1.440 106 D HN 0.063 nan 8.370 nan 0.000 0.427 107 T N 2.630 117.178 114.554 -0.010 0.000 2.788 107 T HA -0.161 4.189 4.350 -0.001 0.000 0.268 107 T C 1.957 176.505 174.700 -0.253 0.000 1.044 107 T CA 1.545 63.595 62.100 -0.083 0.000 1.139 107 T CB -0.118 68.550 68.868 -0.333 0.000 0.867 107 T HN 0.254 nan 8.240 nan 0.000 0.454 108 K N 0.735 120.802 120.400 -0.555 0.000 2.148 108 K HA -0.148 4.171 4.320 -0.001 0.000 0.204 108 K C 1.955 178.322 176.600 -0.388 0.000 1.050 108 K CA 1.410 57.366 56.287 -0.551 0.000 0.942 108 K CB -0.380 31.578 32.500 -0.903 0.000 0.724 108 K HN 0.397 nan 8.250 nan 0.000 0.446 109 H N 1.094 120.113 119.070 -0.086 0.000 2.363 109 H HA 0.048 4.603 4.556 -0.001 0.000 0.301 109 H C 2.303 177.653 175.328 0.037 0.000 1.074 109 H CA 1.411 57.464 56.048 0.009 0.000 1.354 109 H CB -0.189 29.600 29.762 0.044 0.000 1.397 109 H HN 0.186 nan 8.280 nan 0.000 0.516 110 I N 0.763 121.429 120.570 0.160 0.000 2.127 110 I HA -0.281 3.888 4.170 -0.001 0.000 0.241 110 I C 2.467 178.610 176.117 0.042 0.000 1.075 110 I CA 1.162 62.599 61.300 0.230 0.000 1.334 110 I CB -0.300 37.902 38.000 0.337 0.000 1.040 110 I HN 0.093 nan 8.210 nan 0.000 0.405 111 L N -0.371 120.651 121.223 -0.337 0.000 2.093 111 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 111 L C 2.741 179.273 176.870 -0.562 0.000 1.085 111 L CA 1.254 55.644 54.840 -0.750 0.000 0.755 111 L CB -0.519 40.481 42.059 -1.765 0.000 0.904 111 L HN 0.256 nan 8.230 nan 0.000 0.435 112 S N 0.203 115.709 115.700 -0.323 0.000 2.356 112 S HA -0.158 4.312 4.470 -0.001 0.000 0.223 112 S C 1.825 176.423 174.600 -0.003 0.000 1.032 112 S CA 1.524 59.783 58.200 0.097 0.000 1.005 112 S CB -0.163 63.161 63.200 0.207 0.000 0.867 112 S HN 0.439 nan 8.310 nan 0.000 0.449 113 N N 1.593 120.293 118.700 -0.001 0.000 2.331 113 N HA 0.103 4.843 4.740 -0.001 0.000 0.180 113 N C 1.817 177.056 175.510 -0.451 0.000 1.019 113 N CA 1.105 54.115 53.050 -0.067 0.000 0.881 113 N CB -0.750 37.818 38.487 0.134 0.000 0.972 113 N HN 0.518 nan 8.380 nan 0.000 0.435 114 A N 1.036 123.625 122.820 -0.385 0.000 1.933 114 A HA -0.084 4.235 4.320 -0.001 0.000 0.218 114 A C 2.197 179.502 177.584 -0.464 0.000 1.175 114 A CA 0.874 52.494 52.037 -0.695 0.000 0.628 114 A CB -0.619 18.233 19.000 -0.247 0.000 0.814 114 A HN 0.222 nan 8.150 nan 0.000 0.444 115 L N 0.095 121.190 121.223 -0.214 0.000 2.017 115 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 115 L C 2.460 179.242 176.870 -0.148 0.000 1.073 115 L CA 2.506 57.289 54.840 -0.094 0.000 0.745 115 L CB -0.668 41.410 42.059 0.031 0.000 0.894 115 L HN 0.499 nan 8.230 nan 0.000 0.432 116 R N -1.636 118.743 120.500 -0.201 0.000 2.070 116 R HA -0.194 4.145 4.340 -0.001 0.000 0.233 116 R C 2.391 178.485 176.300 -0.343 0.000 1.137 116 R CA 1.753 57.711 56.100 -0.237 0.000 0.945 116 R CB -0.573 29.584 30.300 -0.239 0.000 0.845 116 R HN 0.547 nan 8.270 nan 0.000 0.430 117 H N 0.480 119.263 119.070 -0.478 0.000 2.353 117 H HA -0.089 4.466 4.556 -0.001 0.000 0.300 117 H C 2.240 177.337 175.328 -0.385 0.000 1.090 117 H CA 1.766 57.499 56.048 -0.524 0.000 1.327 117 H CB 0.016 29.174 29.762 -1.006 0.000 1.383 117 H HN 0.258 nan 8.280 nan 0.000 0.508 118 L N -0.209 120.819 121.223 -0.325 0.000 2.109 118 L HA -0.159 4.180 4.340 -0.001 0.000 0.207 118 L C 2.736 179.565 176.870 -0.069 0.000 1.086 118 L CA 0.944 55.683 54.840 -0.169 0.000 0.760 118 L CB -0.621 41.358 42.059 -0.134 0.000 0.910 118 L HN 0.386 nan 8.230 nan 0.000 0.437 119 H N 0.623 119.604 119.070 -0.148 0.000 2.352 119 H HA -0.192 4.363 4.556 -0.001 0.000 0.299 119 H C 1.164 176.434 175.328 -0.096 0.000 1.097 119 H CA 1.944 57.933 56.048 -0.098 0.000 1.311 119 H CB 0.256 29.961 29.762 -0.095 0.000 1.377 119 H HN 0.330 nan 8.280 nan 0.000 0.504 120 D N 0.326 120.671 120.400 -0.091 0.000 2.347 120 D HA 0.009 4.648 4.640 -0.001 0.000 0.213 120 D C -0.061 176.177 176.300 -0.105 0.000 0.985 120 D CA 0.413 54.331 54.000 -0.136 0.000 0.879 120 D CB 0.059 40.791 40.800 -0.113 0.000 0.919 120 D HN 0.348 nan 8.370 nan 0.000 0.526 121 N N 0.807 119.461 118.700 -0.077 0.000 2.716 121 N HA 0.141 4.880 4.740 -0.001 0.000 0.253 121 N C -2.200 173.303 175.510 -0.012 0.000 1.170 121 N CA -1.104 51.937 53.050 -0.015 0.000 0.807 121 N CB 2.383 40.892 38.487 0.037 0.000 1.183 121 N HN -0.159 nan 8.380 nan 0.000 0.524 122 P HA -0.209 nan 4.420 nan 0.000 0.218 122 P C 1.375 178.696 177.300 0.035 0.000 1.146 122 P CA 1.355 64.449 63.100 -0.009 0.000 0.820 122 P CB 0.398 32.088 31.700 -0.017 0.000 0.778 123 E N -1.247 119.001 120.200 0.080 0.000 2.442 123 E HA -0.019 4.331 4.350 -0.001 0.000 0.195 123 E C 0.810 177.528 176.600 0.197 0.000 1.030 123 E CA 0.215 56.705 56.400 0.151 0.000 0.869 123 E CB -0.649 29.175 29.700 0.206 0.000 0.857 123 E HN 0.169 nan 8.360 nan 0.000 0.505 124 M N 2.019 121.668 119.600 0.081 0.000 2.243 124 M HA 0.200 4.679 4.480 -0.001 0.000 0.341 124 M C -0.474 175.788 176.300 -0.063 0.000 1.130 124 M CA -0.036 55.201 55.300 -0.106 0.000 1.162 124 M CB 0.701 33.230 32.600 -0.117 0.000 1.497 124 M HN -0.265 nan 8.290 nan 0.000 0.456 125 K N 3.124 123.450 120.400 -0.124 0.000 2.400 125 K HA 0.664 4.983 4.320 -0.001 0.000 0.246 125 K C -1.709 174.927 176.600 0.060 0.000 0.995 125 K CA -0.494 55.790 56.287 -0.005 0.000 0.840 125 K CB 2.209 34.735 32.500 0.044 0.000 1.293 125 K HN 0.675 nan 8.250 nan 0.000 0.445 126 F N 1.408 121.275 119.950 -0.140 0.000 2.672 126 F HA 0.425 4.952 4.527 -0.001 0.000 0.311 126 F C -1.524 174.174 175.800 -0.170 0.000 1.113 126 F CA -1.220 56.689 58.000 -0.151 0.000 0.996 126 F CB 0.984 39.973 39.000 -0.018 0.000 1.286 126 F HN 0.449 nan 8.300 nan 0.000 0.441 127 I N 1.926 122.172 120.570 -0.540 0.000 2.562 127 I HA 0.594 4.763 4.170 -0.001 0.000 0.301 127 I C -1.710 173.976 176.117 -0.719 0.000 1.003 127 I CA -0.610 60.328 61.300 -0.603 0.000 1.127 127 I CB 2.465 40.049 38.000 -0.693 0.000 1.304 127 I HN 0.707 nan 8.210 nan 0.000 0.446 128 W N 4.607 125.512 121.300 -0.658 0.000 2.839 128 W HA 0.635 5.295 4.660 -0.001 0.000 0.334 128 W C -0.697 175.740 176.519 -0.137 0.000 1.064 128 W CA -0.533 56.559 57.345 -0.421 0.000 1.236 128 W CB 2.661 31.940 29.460 -0.301 0.000 1.405 128 W HN 0.796 nan 8.180 nan 0.000 0.478 129 A N 3.455 125.893 122.820 -0.637 0.000 1.984 129 A HA 0.143 4.462 4.320 -0.001 0.000 0.203 129 A C 0.030 177.553 177.584 -0.101 0.000 1.292 129 A CA 0.465 52.361 52.037 -0.235 0.000 0.782 129 A CB -0.076 18.839 19.000 -0.142 0.000 0.924 129 A HN 0.521 nan 8.150 nan 0.000 0.475 130 E N 1.189 121.209 120.200 -0.301 0.000 1.996 130 E HA 0.273 4.622 4.350 -0.001 0.000 0.280 130 E C 0.505 177.276 176.600 0.284 0.000 1.092 130 E CA -0.253 56.156 56.400 0.015 0.000 0.862 130 E CB 0.619 30.322 29.700 0.005 0.000 1.066 130 E HN 0.305 nan 8.360 nan 0.000 0.396 131 I N 1.527 122.167 120.570 0.115 0.000 2.546 131 I HA -0.211 3.958 4.170 -0.001 0.000 0.255 131 I C 1.951 177.748 176.117 -0.532 0.000 1.163 131 I CA 0.954 62.250 61.300 -0.006 0.000 1.457 131 I CB -1.392 36.656 38.000 0.079 0.000 1.092 131 I HN 0.412 nan 8.210 nan 0.000 0.434 132 S N 0.742 115.819 115.700 -1.038 0.000 2.365 132 S HA -0.259 4.210 4.470 -0.001 0.000 0.225 132 S C 2.186 176.467 174.600 -0.532 0.000 1.039 132 S CA 1.288 58.437 58.200 -1.753 0.000 1.033 132 S CB -1.143 61.103 63.200 -1.590 0.000 0.887 132 S HN 0.473 nan 8.310 nan 0.000 0.447 133 Y N 0.055 120.366 120.300 0.019 0.000 2.220 133 Y HA 0.056 4.605 4.550 -0.001 0.000 0.291 133 Y C 2.281 178.230 175.900 0.081 0.000 1.129 133 Y CA 1.008 59.217 58.100 0.181 0.000 1.161 133 Y CB -0.365 38.303 38.460 0.346 0.000 0.997 133 Y HN 0.294 nan 8.280 nan 0.000 0.522 134 F N 0.149 120.174 119.950 0.125 0.000 2.186 134 F HA -0.203 4.323 4.527 -0.001 0.000 0.299 134 F C 2.312 177.933 175.800 -0.297 0.000 1.090 134 F CA 1.148 59.093 58.000 -0.091 0.000 1.307 134 F CB -0.404 38.528 39.000 -0.114 0.000 1.019 134 F HN -0.019 nan 8.300 nan 0.000 0.489 135 A N 0.211 122.684 122.820 -0.578 0.000 1.898 135 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 135 A C 2.159 179.618 177.584 -0.209 0.000 1.181 135 A CA 1.713 53.203 52.037 -0.911 0.000 0.620 135 A CB -0.746 17.586 19.000 -1.113 0.000 0.819 135 A HN 0.391 nan 8.150 nan 0.000 0.442 136 R N -0.996 119.418 120.500 -0.144 0.000 2.083 136 R HA -0.158 4.181 4.340 -0.001 0.000 0.237 136 R C 1.793 178.041 176.300 -0.086 0.000 1.137 136 R CA 2.123 58.151 56.100 -0.120 0.000 0.951 136 R CB -0.881 29.261 30.300 -0.264 0.000 0.851 136 R HN 0.465 nan 8.270 nan 0.000 0.434 137 F N -0.150 119.704 119.950 -0.160 0.000 2.075 137 F HA -0.167 4.359 4.527 -0.001 0.000 0.297 137 F C 1.997 177.718 175.800 -0.131 0.000 1.113 137 F CA 1.820 59.796 58.000 -0.040 0.000 1.218 137 F CB -0.911 37.997 39.000 -0.154 0.000 0.984 137 F HN 0.134 nan 8.300 nan 0.000 0.472 138 Y N 0.380 120.468 120.300 -0.353 0.000 2.165 138 Y HA -0.302 4.247 4.550 -0.001 0.000 0.286 138 Y C 2.787 178.510 175.900 -0.295 0.000 1.155 138 Y CA 2.383 60.268 58.100 -0.359 0.000 1.164 138 Y CB -0.741 37.639 38.460 -0.134 0.000 0.978 138 Y HN 0.161 nan 8.280 nan 0.000 0.513 139 H N -0.909 118.169 119.070 0.012 0.000 2.491 139 H HA -0.089 4.467 4.556 -0.001 0.000 0.290 139 H C 1.158 176.390 175.328 -0.160 0.000 1.050 139 H CA 1.479 57.496 56.048 -0.052 0.000 1.309 139 H CB -0.065 29.714 29.762 0.030 0.000 1.392 139 H HN 0.445 nan 8.280 nan 0.000 0.554 140 D N 0.135 120.464 120.400 -0.119 0.000 2.348 140 D HA 0.056 4.695 4.640 -0.001 0.000 0.211 140 D C 0.688 176.819 176.300 -0.282 0.000 0.998 140 D CA 0.080 53.988 54.000 -0.153 0.000 0.873 140 D CB 0.250 40.995 40.800 -0.093 0.000 0.925 140 D HN 0.189 nan 8.370 nan 0.000 0.524 141 L N 0.564 121.513 121.223 -0.457 0.000 2.439 141 L HA 0.285 4.625 4.340 -0.001 0.000 0.269 141 L C 1.391 178.072 176.870 -0.314 0.000 1.179 141 L CA -0.517 54.043 54.840 -0.467 0.000 0.828 141 L CB 0.779 42.471 42.059 -0.611 0.000 1.106 141 L HN -0.026 nan 8.230 nan 0.000 0.467 142 G N 0.731 109.393 108.800 -0.230 0.000 2.606 142 G HA2 0.052 4.012 3.960 -0.001 0.000 0.252 142 G HA3 0.052 4.012 3.960 -0.001 0.000 0.252 142 G C 0.630 175.432 174.900 -0.164 0.000 1.206 142 G CA -0.307 44.698 45.100 -0.157 0.000 0.861 142 G HN 0.790 nan 8.290 nan 0.000 0.561 143 E N 0.124 120.258 120.200 -0.110 0.000 2.118 143 E HA -0.207 4.142 4.350 -0.001 0.000 0.195 143 E C 2.191 178.751 176.600 -0.067 0.000 0.992 143 E CA 1.595 57.946 56.400 -0.082 0.000 0.804 143 E CB -0.104 29.573 29.700 -0.037 0.000 0.741 143 E HN 0.589 nan 8.360 nan 0.000 0.458 144 N N -0.004 118.658 118.700 -0.064 0.000 2.120 144 N HA -0.180 4.559 4.740 -0.001 0.000 0.188 144 N C 1.369 176.839 175.510 -0.066 0.000 1.024 144 N CA 1.217 54.235 53.050 -0.052 0.000 0.852 144 N CB 0.041 38.495 38.487 -0.055 0.000 1.003 144 N HN 0.015 nan 8.380 nan 0.000 0.424 145 K N 1.291 121.631 120.400 -0.100 0.000 2.155 145 K HA -0.001 4.319 4.320 -0.001 0.000 0.203 145 K C 1.988 178.542 176.600 -0.077 0.000 1.052 145 K CA 0.589 56.815 56.287 -0.102 0.000 0.948 145 K CB -0.161 32.256 32.500 -0.139 0.000 0.728 145 K HN 0.311 nan 8.250 nan 0.000 0.448 146 K N 0.720 121.031 120.400 -0.148 0.000 2.057 146 K HA -0.041 4.278 4.320 -0.001 0.000 0.207 146 K C 2.218 178.889 176.600 0.118 0.000 1.049 146 K CA 0.956 57.160 56.287 -0.138 0.000 0.931 146 K CB -0.140 32.175 32.500 -0.308 0.000 0.714 146 K HN 0.044 nan 8.250 nan 0.000 0.440 147 L N 0.964 122.226 121.223 0.064 0.000 2.056 147 L HA -0.212 4.128 4.340 -0.001 0.000 0.207 147 L C 2.505 179.438 176.870 0.104 0.000 1.078 147 L CA 1.280 56.176 54.840 0.095 0.000 0.749 147 L CB -0.383 41.708 42.059 0.054 0.000 0.901 147 L HN 0.259 nan 8.230 nan 0.000 0.433 148 Q N -0.855 118.985 119.800 0.066 0.000 2.124 148 Q HA -0.258 4.081 4.340 -0.001 0.000 0.202 148 Q C 2.183 178.265 176.000 0.138 0.000 0.977 148 Q CA 1.602 57.450 55.803 0.075 0.000 0.850 148 Q CB -0.196 28.522 28.738 -0.032 0.000 0.901 148 Q HN 0.363 nan 8.270 nan 0.000 0.429 149 M N 1.214 120.926 119.600 0.187 0.000 2.132 149 M HA -0.137 4.343 4.480 -0.001 0.000 0.263 149 M C 1.601 178.086 176.300 0.308 0.000 1.065 149 M CA 1.747 57.226 55.300 0.298 0.000 1.122 149 M CB 0.039 32.915 32.600 0.459 0.000 1.365 149 M HN -0.109 nan 8.290 nan 0.000 0.411 150 K N -1.025 119.556 120.400 0.301 0.000 2.147 150 K HA -0.123 4.196 4.320 -0.001 0.000 0.205 150 K C 2.266 178.964 176.600 0.163 0.000 1.049 150 K CA 1.488 57.919 56.287 0.239 0.000 0.936 150 K CB -0.366 32.259 32.500 0.208 0.000 0.722 150 K HN 0.408 nan 8.250 nan 0.000 0.446 151 S N 1.530 117.317 115.700 0.144 0.000 2.368 151 S HA -0.082 4.388 4.470 -0.001 0.000 0.224 151 S C 1.928 176.584 174.600 0.094 0.000 1.029 151 S CA 1.006 59.270 58.200 0.107 0.000 0.988 151 S CB -0.196 63.067 63.200 0.106 0.000 0.838 151 S HN 0.394 nan 8.310 nan 0.000 0.462 152 I N -0.871 119.764 120.570 0.109 0.000 2.830 152 I HA 0.065 4.235 4.170 -0.001 0.000 0.263 152 I C 1.769 177.917 176.117 0.051 0.000 1.230 152 I CA 0.625 61.969 61.300 0.074 0.000 1.480 152 I CB -0.284 37.759 38.000 0.072 0.000 1.095 152 I HN 0.097 nan 8.210 nan 0.000 0.455 153 V N 1.508 121.471 119.914 0.082 0.000 2.379 153 V HA -0.159 3.960 4.120 -0.001 0.000 0.243 153 V C 2.679 178.804 176.094 0.052 0.000 1.035 153 V CA 1.857 64.189 62.300 0.055 0.000 1.035 153 V CB -0.615 31.302 31.823 0.157 0.000 0.673 153 V HN 0.415 nan 8.190 nan 0.000 0.457 154 K N 1.618 122.059 120.400 0.069 0.000 2.063 154 K HA -0.237 4.083 4.320 -0.001 0.000 0.208 154 K C 1.776 178.393 176.600 0.028 0.000 1.048 154 K CA 1.972 58.288 56.287 0.048 0.000 0.928 154 K CB -0.229 32.302 32.500 0.051 0.000 0.713 154 K HN 0.659 nan 8.250 nan 0.000 0.442 155 N N -0.560 118.156 118.700 0.028 0.000 2.461 155 N HA -0.006 4.733 4.740 -0.001 0.000 0.188 155 N C 0.846 176.359 175.510 0.005 0.000 1.134 155 N CA 1.127 54.186 53.050 0.016 0.000 0.878 155 N CB 0.391 38.889 38.487 0.018 0.000 0.972 155 N HN 0.359 nan 8.380 nan 0.000 0.456 156 G N -0.349 108.450 108.800 -0.003 0.000 2.157 156 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.248 156 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.248 156 G C 0.784 175.669 174.900 -0.025 0.000 0.979 156 G CA 0.471 45.559 45.100 -0.020 0.000 0.650 156 G HN 0.465 nan 8.290 nan 0.000 0.529 157 Q N -0.982 118.810 119.800 -0.014 0.000 2.096 157 Q HA 0.284 4.623 4.340 -0.001 0.000 0.197 157 Q C 1.431 177.419 176.000 -0.020 0.000 0.964 157 Q CA 0.830 56.628 55.803 -0.007 0.000 0.838 157 Q CB 0.386 29.125 28.738 0.001 0.000 0.906 157 Q HN 0.602 nan 8.270 nan 0.000 0.444 158 L N 1.448 122.638 121.223 -0.054 0.000 2.287 158 L HA 0.371 4.711 4.340 -0.001 0.000 0.287 158 L C -1.077 175.607 176.870 -0.310 0.000 1.022 158 L CA -0.344 54.420 54.840 -0.127 0.000 0.814 158 L CB 1.382 43.378 42.059 -0.105 0.000 1.217 158 L HN -0.007 nan 8.230 nan 0.000 0.420 159 E N 4.462 124.444 120.200 -0.363 0.000 2.210 159 E HA 0.361 4.711 4.350 -0.001 0.000 0.266 159 E C -1.564 174.755 176.600 -0.468 0.000 0.883 159 E CA -0.744 55.441 56.400 -0.358 0.000 0.761 159 E CB 1.445 31.020 29.700 -0.209 0.000 1.156 159 E HN 0.506 nan 8.360 nan 0.000 0.412 160 F N 3.227 123.124 119.950 -0.088 0.000 2.410 160 F HA 0.244 4.770 4.527 -0.001 0.000 0.348 160 F C 0.248 176.010 175.800 -0.064 0.000 1.106 160 F CA -0.633 57.326 58.000 -0.069 0.000 1.163 160 F CB 1.289 40.261 39.000 -0.047 0.000 1.129 160 F HN 0.194 nan 8.300 nan 0.000 0.516 161 V N 0.096 120.064 119.914 0.090 0.000 2.495 161 V HA 0.619 4.738 4.120 -0.001 0.000 0.298 161 V C 0.209 176.425 176.094 0.203 0.000 1.031 161 V CA -0.498 61.848 62.300 0.076 0.000 0.871 161 V CB 0.860 32.598 31.823 -0.143 0.000 0.988 161 V HN 1.003 nan 8.190 nan 0.000 0.432 162 T N 3.382 118.134 114.554 0.330 0.000 12.940 162 T HA -0.293 4.056 4.350 -0.001 0.000 0.419 162 T C 1.706 176.636 174.700 0.383 0.000 1.444 162 T CA 2.831 65.177 62.100 0.410 0.000 2.373 162 T CB -1.680 67.326 68.868 0.231 0.000 2.821 162 T HN 2.776 nan 8.240 nan 0.000 0.696 163 G N 1.727 110.687 108.800 0.267 0.000 2.132 163 G HA2 0.132 4.092 3.960 -0.001 0.000 0.234 163 G HA3 0.132 4.092 3.960 -0.001 0.000 0.234 163 G C 0.278 175.317 174.900 0.231 0.000 0.989 163 G CA 0.556 45.789 45.100 0.221 0.000 0.676 163 G HN 1.538 nan 8.290 nan 0.000 0.522 164 G N -1.617 107.319 108.800 0.226 0.000 2.537 164 G HA2 0.387 4.346 3.960 -0.001 0.000 0.273 164 G HA3 0.387 4.346 3.960 -0.001 0.000 0.273 164 G C 0.944 176.020 174.900 0.295 0.000 1.189 164 G CA 0.127 45.372 45.100 0.242 0.000 0.881 164 G HN 0.342 nan 8.290 nan 0.000 0.535 165 W N 0.436 121.778 121.300 0.071 0.000 2.350 165 W HA -0.020 4.639 4.660 -0.001 0.000 0.289 165 W C 0.625 177.170 176.519 0.044 0.000 1.215 165 W CA 1.817 59.188 57.345 0.043 0.000 1.236 165 W CB 0.274 29.743 29.460 0.015 0.000 1.130 165 W HN 0.408 nan 8.180 nan 0.000 0.541 166 V N -2.817 117.220 119.914 0.205 0.000 3.103 166 V HA 0.499 4.618 4.120 -0.001 0.000 0.311 166 V C -0.506 175.675 176.094 0.145 0.000 1.322 166 V CA -1.272 61.090 62.300 0.102 0.000 1.063 166 V CB 1.732 33.632 31.823 0.128 0.000 1.090 166 V HN -0.073 nan 8.190 nan 0.000 0.462 167 M N 3.918 123.632 119.600 0.190 0.000 2.103 167 M HA 0.517 4.997 4.480 -0.001 0.000 0.350 167 M C -2.717 173.749 176.300 0.276 0.000 1.100 167 M CA -1.935 53.493 55.300 0.214 0.000 1.042 167 M CB 1.509 34.261 32.600 0.253 0.000 1.368 167 M HN 0.661 nan 8.290 nan 0.000 0.404 168 P HA 0.083 nan 4.420 nan 0.000 0.272 168 P C -0.919 176.396 177.300 0.024 0.000 1.223 168 P CA -0.084 63.072 63.100 0.092 0.000 0.784 168 P CB 0.548 32.286 31.700 0.065 0.000 0.923 169 D N 0.729 121.104 120.400 -0.041 0.000 2.423 169 D HA -0.053 4.587 4.640 -0.001 0.000 0.238 169 D C 0.662 176.972 176.300 0.016 0.000 1.142 169 D CA 0.535 54.487 54.000 -0.080 0.000 0.884 169 D CB 0.425 41.189 40.800 -0.060 0.000 1.199 169 D HN 0.314 nan 8.370 nan 0.000 0.438 170 E N 1.284 121.538 120.200 0.089 0.000 2.526 170 E HA 0.198 4.547 4.350 -0.001 0.000 0.208 170 E C 0.859 177.630 176.600 0.285 0.000 0.997 170 E CA 0.004 56.524 56.400 0.199 0.000 0.961 170 E CB 0.698 30.537 29.700 0.232 0.000 1.030 170 E HN 0.484 nan 8.360 nan 0.000 0.483 171 A N 1.382 124.312 122.820 0.182 0.000 1.887 171 A HA 0.017 4.337 4.320 -0.001 0.000 0.210 171 A C 1.819 179.273 177.584 -0.217 0.000 1.221 171 A CA 0.596 52.506 52.037 -0.212 0.000 0.635 171 A CB 0.032 18.864 19.000 -0.280 0.000 0.881 171 A HN 0.036 nan 8.150 nan 0.000 0.456 172 N N 0.709 119.374 118.700 -0.058 0.000 2.405 172 N HA 0.004 4.743 4.740 -0.001 0.000 0.175 172 N C 0.495 175.989 175.510 -0.026 0.000 1.051 172 N CA 0.778 53.795 53.050 -0.055 0.000 0.899 172 N CB -0.007 38.495 38.487 0.025 0.000 1.000 172 N HN 0.497 nan 8.380 nan 0.000 0.451 173 S N 0.910 116.605 115.700 -0.007 0.000 2.549 173 S HA 0.015 4.484 4.470 -0.001 0.000 0.283 173 S C 0.052 174.664 174.600 0.020 0.000 1.320 173 S CA -0.535 57.673 58.200 0.014 0.000 1.058 173 S CB 0.999 64.211 63.200 0.020 0.000 0.882 173 S HN 0.208 nan 8.310 nan 0.000 0.498 174 H N 3.546 122.595 119.070 -0.035 0.000 2.582 174 H HA 0.042 4.597 4.556 -0.001 0.000 0.345 174 H C 1.253 176.553 175.328 -0.047 0.000 1.104 174 H CA -0.233 55.781 56.048 -0.057 0.000 1.390 174 H CB 0.522 30.203 29.762 -0.135 0.000 1.461 174 H HN 1.028 nan 8.280 nan 0.000 0.551 175 W N 5.733 126.966 121.300 -0.112 0.000 2.350 175 W HA -0.162 4.498 4.660 -0.001 0.000 0.289 175 W C 1.091 177.688 176.519 0.130 0.000 1.215 175 W CA 0.358 57.702 57.345 -0.001 0.000 1.236 175 W CB -0.471 28.933 29.460 -0.093 0.000 1.130 175 W HN 0.529 nan 8.180 nan 0.000 0.541 176 R N 0.793 120.918 120.500 -0.626 0.000 2.096 176 R HA -0.133 4.206 4.340 -0.001 0.000 0.235 176 R C 1.988 178.124 176.300 -0.274 0.000 1.127 176 R CA 1.874 57.504 56.100 -0.784 0.000 0.968 176 R CB -0.411 29.361 30.300 -0.879 0.000 0.861 176 R HN 0.140 nan 8.270 nan 0.000 0.440 177 N N -0.213 118.410 118.700 -0.128 0.000 2.376 177 N HA -0.051 4.688 4.740 -0.001 0.000 0.177 177 N C 1.700 177.213 175.510 0.005 0.000 1.024 177 N CA 0.659 53.676 53.050 -0.055 0.000 0.893 177 N CB 0.027 38.501 38.487 -0.021 0.000 0.980 177 N HN -0.004 nan 8.380 nan 0.000 0.439 178 V N 1.375 121.316 119.914 0.046 0.000 2.343 178 V HA -0.165 3.954 4.120 -0.001 0.000 0.247 178 V C 2.312 178.452 176.094 0.078 0.000 1.051 178 V CA 1.041 63.387 62.300 0.077 0.000 1.036 178 V CB -0.454 31.436 31.823 0.112 0.000 0.654 178 V HN 0.192 nan 8.190 nan 0.000 0.451 179 L N -0.288 120.992 121.223 0.094 0.000 2.056 179 L HA -0.111 4.228 4.340 -0.001 0.000 0.207 179 L C 2.168 179.053 176.870 0.025 0.000 1.078 179 L CA 1.818 56.708 54.840 0.084 0.000 0.749 179 L CB -0.683 41.458 42.059 0.137 0.000 0.901 179 L HN 0.285 nan 8.230 nan 0.000 0.433 180 L N -0.064 121.151 121.223 -0.013 0.000 2.012 180 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 180 L C 2.562 179.422 176.870 -0.017 0.000 1.073 180 L CA 2.328 57.148 54.840 -0.033 0.000 0.748 180 L CB -0.797 41.223 42.059 -0.065 0.000 0.891 180 L HN 0.677 nan 8.230 nan 0.000 0.431 181 Q N -1.036 118.775 119.800 0.019 0.000 2.172 181 Q HA -0.178 4.161 4.340 -0.001 0.000 0.200 181 Q C 2.008 178.087 176.000 0.132 0.000 0.964 181 Q CA 1.962 57.807 55.803 0.070 0.000 0.855 181 Q CB -1.120 27.698 28.738 0.133 0.000 0.918 181 Q HN 0.473 nan 8.270 nan 0.000 0.444 182 L N 0.787 122.075 121.223 0.109 0.000 2.056 182 L HA -0.074 4.265 4.340 -0.001 0.000 0.207 182 L C 1.896 178.846 176.870 0.134 0.000 1.078 182 L CA 2.405 57.325 54.840 0.133 0.000 0.749 182 L CB -0.986 41.130 42.059 0.096 0.000 0.901 182 L HN 0.312 nan 8.230 nan 0.000 0.433 183 T N -0.934 113.668 114.554 0.080 0.000 2.821 183 T HA -0.176 4.173 4.350 -0.001 0.000 0.267 183 T C 1.720 176.470 174.700 0.084 0.000 1.046 183 T CA 1.409 63.550 62.100 0.069 0.000 1.139 183 T CB -0.175 68.707 68.868 0.024 0.000 0.871 183 T HN 0.330 nan 8.240 nan 0.000 0.454 184 E N 1.051 121.269 120.200 0.031 0.000 2.058 184 E HA -0.057 4.293 4.350 -0.001 0.000 0.194 184 E C 2.338 179.041 176.600 0.171 0.000 0.997 184 E CA 1.585 57.952 56.400 -0.055 0.000 0.801 184 E CB -0.861 28.613 29.700 -0.377 0.000 0.746 184 E HN 0.455 nan 8.360 nan 0.000 0.450 185 G N -0.207 108.799 108.800 0.344 0.000 2.394 185 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.215 185 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.215 185 G C 1.466 176.584 174.900 0.362 0.000 1.165 185 G CA 0.598 45.999 45.100 0.502 0.000 0.784 185 G HN 0.260 nan 8.290 nan 0.000 0.535 186 Q N -0.134 119.816 119.800 0.250 0.000 2.230 186 Q HA -0.050 4.289 4.340 -0.001 0.000 0.202 186 Q C 2.718 178.816 176.000 0.163 0.000 0.963 186 Q CA 1.355 57.267 55.803 0.183 0.000 0.866 186 Q CB -0.144 28.683 28.738 0.149 0.000 0.931 186 Q HN 0.403 nan 8.270 nan 0.000 0.452 187 T N 0.025 114.688 114.554 0.182 0.000 2.857 187 T HA -0.162 4.188 4.350 -0.001 0.000 0.266 187 T C 1.067 175.868 174.700 0.168 0.000 1.048 187 T CA 0.877 63.060 62.100 0.138 0.000 1.139 187 T CB -0.295 68.649 68.868 0.127 0.000 0.874 187 T HN 0.467 nan 8.240 nan 0.000 0.455 188 W N 1.661 123.059 121.300 0.164 0.000 2.355 188 W HA -0.016 4.643 4.660 -0.001 0.000 0.309 188 W C 1.764 178.404 176.519 0.201 0.000 1.206 188 W CA 0.863 58.389 57.345 0.301 0.000 1.284 188 W CB -0.462 29.237 29.460 0.399 0.000 1.145 188 W HN 0.124 nan 8.180 nan 0.000 0.502 189 L N 0.699 122.134 121.223 0.353 0.000 2.042 189 L HA -0.271 4.069 4.340 -0.001 0.000 0.210 189 L C 2.633 179.432 176.870 -0.119 0.000 1.076 189 L CA 1.922 56.790 54.840 0.047 0.000 0.749 189 L CB -0.957 41.075 42.059 -0.045 0.000 0.893 189 L HN 0.001 nan 8.230 nan 0.000 0.432 190 K N -0.101 120.253 120.400 -0.076 0.000 2.057 190 K HA -0.258 4.061 4.320 -0.001 0.000 0.207 190 K C 2.195 178.661 176.600 -0.224 0.000 1.049 190 K CA 1.587 57.805 56.287 -0.115 0.000 0.931 190 K CB -0.028 32.430 32.500 -0.070 0.000 0.714 190 K HN 0.268 nan 8.250 nan 0.000 0.440 191 Q N -0.720 118.880 119.800 -0.332 0.000 2.050 191 Q HA -0.148 4.192 4.340 -0.001 0.000 0.202 191 Q C 1.575 177.081 176.000 -0.824 0.000 0.980 191 Q CA 1.827 57.268 55.803 -0.604 0.000 0.840 191 Q CB 0.019 28.269 28.738 -0.813 0.000 0.898 191 Q HN 0.326 nan 8.270 nan 0.000 0.424 192 F N -1.565 117.996 119.950 -0.647 0.000 2.582 192 F HA 0.115 4.641 4.527 -0.001 0.000 0.290 192 F C 1.807 177.301 175.800 -0.509 0.000 1.115 192 F CA 0.131 57.701 58.000 -0.717 0.000 1.445 192 F CB 0.417 38.562 39.000 -1.425 0.000 1.126 192 F HN 0.096 nan 8.300 nan 0.000 0.574 193 M N -0.768 118.674 119.600 -0.263 0.000 2.308 193 M HA 0.190 4.670 4.480 -0.001 0.000 0.269 193 M C 0.279 176.556 176.300 -0.039 0.000 1.040 193 M CA 0.291 55.542 55.300 -0.082 0.000 1.024 193 M CB -0.675 31.910 32.600 -0.024 0.000 1.465 193 M HN 0.102 nan 8.290 nan 0.000 0.517 194 N N 1.790 120.432 118.700 -0.097 0.000 2.740 194 N HA -0.137 4.603 4.740 -0.001 0.000 0.248 194 N C -1.057 174.435 175.510 -0.030 0.000 1.062 194 N CA 0.727 53.737 53.050 -0.067 0.000 0.704 194 N CB -1.019 37.442 38.487 -0.044 0.000 0.968 194 N HN 0.319 nan 8.380 nan 0.000 0.547 195 V N -3.739 116.159 119.914 -0.026 0.000 3.012 195 V HA 0.853 4.972 4.120 -0.001 0.000 0.307 195 V C -0.018 176.066 176.094 -0.018 0.000 1.166 195 V CA -0.508 61.793 62.300 0.002 0.000 0.974 195 V CB 2.285 34.157 31.823 0.083 0.000 1.040 195 V HN 0.057 nan 8.190 nan 0.000 0.428 196 T N 4.098 118.630 114.554 -0.036 0.000 2.930 196 T HA 0.584 4.933 4.350 -0.001 0.000 0.313 196 T C -2.744 171.875 174.700 -0.134 0.000 1.019 196 T CA -0.816 61.242 62.100 -0.069 0.000 1.004 196 T CB 1.411 70.228 68.868 -0.086 0.000 0.987 196 T HN 0.759 nan 8.240 nan 0.000 0.456 197 P HA 0.168 nan 4.420 nan 0.000 0.266 197 P C 0.832 177.751 177.300 -0.636 0.000 1.195 197 P CA -0.155 62.830 63.100 -0.192 0.000 0.768 197 P CB 0.525 32.229 31.700 0.006 0.000 0.838 198 T N -1.644 112.599 114.554 -0.519 0.000 3.040 198 T HA 0.541 4.890 4.350 -0.001 0.000 0.266 198 T C 0.343 174.859 174.700 -0.306 0.000 1.005 198 T CA -0.287 61.381 62.100 -0.719 0.000 0.906 198 T CB 0.147 68.801 68.868 -0.357 0.000 1.082 198 T HN 0.411 nan 8.240 nan 0.000 0.531 199 A N 0.847 123.649 122.820 -0.030 0.000 2.343 199 A HA 0.801 5.121 4.320 -0.001 0.000 0.316 199 A C -0.178 177.680 177.584 0.457 0.000 1.104 199 A CA -0.700 51.473 52.037 0.226 0.000 0.768 199 A CB 1.827 20.971 19.000 0.240 0.000 1.213 199 A HN 0.255 nan 8.150 nan 0.000 0.456 200 S N 2.080 118.033 115.700 0.422 0.000 2.549 200 S HA 0.678 5.148 4.470 -0.001 0.000 0.297 200 S C -1.131 173.663 174.600 0.323 0.000 1.115 200 S CA -0.433 57.952 58.200 0.307 0.000 1.059 200 S CB 0.764 63.962 63.200 -0.003 0.000 1.046 200 S HN 0.809 nan 8.310 nan 0.000 0.506 201 W N 4.621 125.935 121.300 0.024 0.000 2.463 201 W HA 0.630 5.289 4.660 -0.001 0.000 0.316 201 W C -1.457 175.009 176.519 -0.089 0.000 1.004 201 W CA -0.837 56.475 57.345 -0.056 0.000 1.309 201 W CB 1.090 30.488 29.460 -0.102 0.000 1.288 201 W HN 0.782 nan 8.180 nan 0.000 0.423 202 A N 7.867 130.554 122.820 -0.222 0.000 2.842 202 A HA 0.282 4.601 4.320 -0.001 0.000 0.339 202 A C 0.305 177.639 177.584 -0.416 0.000 1.177 202 A CA -0.487 51.417 52.037 -0.222 0.000 0.797 202 A CB -0.373 18.619 19.000 -0.014 0.000 1.094 202 A HN 0.705 nan 8.150 nan 0.000 0.474 203 I N -2.722 117.402 120.570 -0.743 0.000 3.728 203 I HA 0.272 4.442 4.170 -0.001 0.000 0.307 203 I C 0.744 176.542 176.117 -0.531 0.000 1.276 203 I CA 0.844 61.662 61.300 -0.802 0.000 1.285 203 I CB 0.380 37.560 38.000 -1.365 0.000 1.038 203 I HN 0.328 nan 8.210 nan 0.000 0.445 204 D N 0.338 120.409 120.400 -0.550 0.000 2.480 204 D HA 0.245 4.885 4.640 -0.001 0.000 0.243 204 D C -2.201 173.697 176.300 -0.670 0.000 1.120 204 D CA -0.699 52.981 54.000 -0.532 0.000 0.835 204 D CB 0.157 40.570 40.800 -0.645 0.000 1.204 204 D HN 0.173 nan 8.370 nan 0.000 0.513 205 P HA 0.039 nan 4.420 nan 0.000 0.267 205 P C -0.524 176.325 177.300 -0.752 0.000 1.200 205 P CA 0.070 62.654 63.100 -0.861 0.000 0.772 205 P CB 0.183 31.540 31.700 -0.571 0.000 0.855 206 F N 2.170 121.880 119.950 -0.400 0.000 2.605 206 F HA 0.541 5.067 4.527 -0.001 0.000 0.352 206 F C 1.429 177.164 175.800 -0.108 0.000 1.236 206 F CA -0.644 57.070 58.000 -0.476 0.000 1.267 206 F CB -1.207 37.659 39.000 -0.223 0.000 1.632 206 F HN 0.493 nan 8.300 nan 0.000 0.639 207 G N 1.241 109.802 108.800 -0.399 0.000 2.587 207 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.686 207 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.686 207 G C -1.566 172.984 174.900 -0.583 0.000 1.236 207 G CA -1.179 43.805 45.100 -0.193 0.000 0.820 207 G HN 0.608 nan 8.290 nan 0.000 0.645 208 H N -0.523 118.246 119.070 -0.501 0.000 2.717 208 H HA 0.760 5.316 4.556 -0.001 0.000 0.366 208 H C -0.397 174.824 175.328 -0.178 0.000 1.132 208 H CA 0.035 55.985 56.048 -0.163 0.000 1.180 208 H CB 2.078 31.894 29.762 0.091 0.000 1.678 208 H HN 0.681 nan 8.280 nan 0.000 0.537 209 S N 2.348 118.195 115.700 0.245 0.000 2.501 209 S HA 0.267 4.737 4.470 -0.001 0.000 0.301 209 S C -1.776 172.835 174.600 0.020 0.000 1.096 209 S CA -1.781 56.565 58.200 0.242 0.000 1.063 209 S CB 1.353 64.745 63.200 0.320 0.000 1.042 209 S HN 0.453 nan 8.310 nan 0.000 0.494 210 P HA 0.011 nan 4.420 nan 0.000 0.230 210 P C 1.092 178.125 177.300 -0.445 0.000 1.158 210 P CA 0.750 63.428 63.100 -0.703 0.000 0.769 210 P CB -0.228 31.240 31.700 -0.386 0.000 0.807 211 T N -0.160 114.277 114.554 -0.196 0.000 2.881 211 T HA -0.092 4.258 4.350 -0.001 0.000 0.270 211 T C 1.827 176.484 174.700 -0.071 0.000 1.068 211 T CA 1.185 63.218 62.100 -0.110 0.000 1.131 211 T CB -0.381 68.465 68.868 -0.037 0.000 0.871 211 T HN -0.009 nan 8.240 nan 0.000 0.479 212 M N 0.933 120.446 119.600 -0.144 0.000 2.064 212 M HA 0.011 4.490 4.480 -0.001 0.000 0.260 212 M C -0.596 175.573 176.300 -0.219 0.000 1.073 212 M CA 1.136 56.352 55.300 -0.139 0.000 1.124 212 M CB -2.460 30.082 32.600 -0.096 0.000 1.326 212 M HN 0.131 nan 8.290 nan 0.000 0.410 213 P HA -0.205 nan 4.420 nan 0.000 0.218 213 P C 1.655 178.837 177.300 -0.196 0.000 1.149 213 P CA 1.427 64.344 63.100 -0.305 0.000 0.817 213 P CB -0.408 31.021 31.700 -0.453 0.000 0.785 214 Y N 1.259 121.377 120.300 -0.303 0.000 2.070 214 Y HA -0.214 4.335 4.550 -0.001 0.000 0.280 214 Y C 2.440 178.260 175.900 -0.133 0.000 1.148 214 Y CA 1.738 59.722 58.100 -0.194 0.000 1.125 214 Y CB -1.012 37.348 38.460 -0.167 0.000 0.975 214 Y HN -0.237 nan 8.280 nan 0.000 0.492 215 I N -0.435 120.144 120.570 0.016 0.000 2.252 215 I HA -0.304 3.865 4.170 -0.001 0.000 0.245 215 I C 2.293 178.336 176.117 -0.124 0.000 1.102 215 I CA 1.193 62.465 61.300 -0.046 0.000 1.385 215 I CB -0.447 37.597 38.000 0.074 0.000 1.064 215 I HN 0.266 nan 8.210 nan 0.000 0.414 216 L N 0.165 121.271 121.223 -0.195 0.000 2.046 216 L HA -0.228 4.111 4.340 -0.001 0.000 0.208 216 L C 2.692 179.555 176.870 -0.011 0.000 1.077 216 L CA 1.220 55.891 54.840 -0.283 0.000 0.747 216 L CB -0.727 40.957 42.059 -0.625 0.000 0.896 216 L HN 0.351 nan 8.230 nan 0.000 0.432 217 Q N 1.179 120.933 119.800 -0.077 0.000 2.224 217 Q HA -0.182 4.157 4.340 -0.001 0.000 0.203 217 Q C 1.540 177.500 176.000 -0.067 0.000 0.970 217 Q CA 1.436 57.214 55.803 -0.043 0.000 0.865 217 Q CB 0.142 28.826 28.738 -0.090 0.000 0.922 217 Q HN 0.473 nan 8.270 nan 0.000 0.445 218 K N -0.476 119.841 120.400 -0.137 0.000 2.417 218 K HA 0.136 4.455 4.320 -0.001 0.000 0.196 218 K C 0.533 177.092 176.600 -0.068 0.000 1.023 218 K CA 0.019 56.216 56.287 -0.149 0.000 1.122 218 K CB 0.566 32.900 32.500 -0.277 0.000 0.850 218 K HN -0.090 nan 8.250 nan 0.000 0.521 219 S N -0.211 115.507 115.700 0.030 0.000 2.843 219 S HA 0.201 4.671 4.470 -0.001 0.000 0.249 219 S C 0.753 175.446 174.600 0.155 0.000 1.047 219 S CA 0.095 58.361 58.200 0.109 0.000 1.042 219 S CB 1.315 64.630 63.200 0.192 0.000 0.936 219 S HN 0.534 nan 8.310 nan 0.000 0.531 220 G N 1.225 110.067 108.800 0.071 0.000 2.176 220 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.253 220 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.253 220 G C -0.014 174.849 174.900 -0.062 0.000 0.979 220 G CA -0.325 44.761 45.100 -0.022 0.000 0.641 220 G HN 0.444 nan 8.290 nan 0.000 0.530 221 F N 0.245 120.155 119.950 -0.067 0.000 2.450 221 F HA 0.593 5.119 4.527 -0.001 0.000 0.339 221 F C 1.542 177.285 175.800 -0.095 0.000 1.146 221 F CA 0.007 57.964 58.000 -0.072 0.000 1.267 221 F CB 0.968 39.929 39.000 -0.065 0.000 1.178 221 F HN -0.200 nan 8.300 nan 0.000 0.585 222 K N 0.903 121.321 120.400 0.030 0.000 2.464 222 K HA 0.246 4.566 4.320 -0.001 0.000 0.206 222 K C -0.617 175.925 176.600 -0.096 0.000 1.186 222 K CA 0.068 56.316 56.287 -0.065 0.000 0.990 222 K CB 0.205 32.618 32.500 -0.145 0.000 1.003 222 K HN 0.618 nan 8.250 nan 0.000 0.562 223 N N 0.262 118.889 118.700 -0.122 0.000 2.484 223 N HA 0.455 5.194 4.740 -0.001 0.000 0.269 223 N C -1.116 174.247 175.510 -0.246 0.000 1.237 223 N CA -0.632 52.184 53.050 -0.390 0.000 0.838 223 N CB 2.303 40.012 38.487 -1.296 0.000 1.593 223 N HN -0.109 nan 8.380 nan 0.000 0.485 224 M N -0.091 119.377 119.600 -0.219 0.000 2.569 224 M HA 0.630 5.110 4.480 -0.001 0.000 0.279 224 M C -2.055 174.311 176.300 0.110 0.000 1.253 224 M CA -0.951 54.344 55.300 -0.008 0.000 0.867 224 M CB 2.478 35.066 32.600 -0.020 0.000 1.727 224 M HN 0.506 nan 8.290 nan 0.000 0.467 225 L N 3.710 125.017 121.223 0.140 0.000 2.386 225 L HA 0.875 5.215 4.340 -0.001 0.000 0.271 225 L C -1.465 175.290 176.870 -0.192 0.000 0.993 225 L CA -0.732 54.149 54.840 0.069 0.000 0.819 225 L CB 2.006 44.161 42.059 0.161 0.000 1.294 225 L HN 0.954 nan 8.230 nan 0.000 0.414 226 I N 0.978 121.341 120.570 -0.345 0.000 3.042 226 I HA 0.620 4.789 4.170 -0.001 0.000 0.310 226 I C -0.695 175.117 176.117 -0.508 0.000 1.117 226 I CA -0.577 60.325 61.300 -0.665 0.000 1.003 226 I CB 2.244 39.547 38.000 -1.161 0.000 1.228 226 I HN 0.752 nan 8.210 nan 0.000 0.443 227 Q N 1.903 121.469 119.800 -0.390 0.000 2.546 227 Q HA 0.335 4.674 4.340 -0.001 0.000 0.226 227 Q C -0.038 175.863 176.000 -0.165 0.000 0.769 227 Q CA 0.255 55.911 55.803 -0.244 0.000 0.954 227 Q CB 0.539 29.130 28.738 -0.245 0.000 1.319 227 Q HN 0.650 nan 8.270 nan 0.000 0.534 228 R N 2.139 122.551 120.500 -0.148 0.000 2.612 228 R HA 0.325 4.664 4.340 -0.001 0.000 0.273 228 R C -0.688 175.371 176.300 -0.402 0.000 1.376 228 R CA 0.681 56.466 56.100 -0.526 0.000 1.171 228 R CB 0.102 29.723 30.300 -1.132 0.000 1.151 228 R HN 0.411 nan 8.270 nan 0.000 0.560 229 T N -2.389 112.159 114.554 -0.010 0.000 2.916 229 T HA 0.124 4.474 4.350 -0.001 0.000 0.292 229 T C -0.055 174.911 174.700 0.442 0.000 1.055 229 T CA -0.917 61.298 62.100 0.193 0.000 1.009 229 T CB 1.706 70.533 68.868 -0.068 0.000 1.118 229 T HN 0.436 nan 8.240 nan 0.000 0.497 230 H N 2.034 121.329 119.070 0.375 0.000 3.140 230 H HA -0.071 4.485 4.556 -0.001 0.000 0.316 230 H C 1.070 176.454 175.328 0.094 0.000 0.986 230 H CA 0.681 56.836 56.048 0.179 0.000 1.397 230 H CB 0.306 30.200 29.762 0.221 0.000 1.377 230 H HN 0.928 nan 8.280 nan 0.000 0.585 231 Y N 2.372 122.769 120.300 0.162 0.000 2.256 231 Y HA -0.183 4.366 4.550 -0.001 0.000 0.288 231 Y C 2.218 178.293 175.900 0.292 0.000 1.155 231 Y CA 0.960 59.194 58.100 0.223 0.000 1.203 231 Y CB -0.659 37.870 38.460 0.115 0.000 0.980 231 Y HN 0.294 nan 8.280 nan 0.000 0.530 232 S N 0.297 116.058 115.700 0.101 0.000 2.402 232 S HA -0.116 4.353 4.470 -0.001 0.000 0.229 232 S C 2.080 176.615 174.600 -0.108 0.000 1.021 232 S CA 1.174 59.325 58.200 -0.080 0.000 0.974 232 S CB -0.531 62.385 63.200 -0.473 0.000 0.800 232 S HN 0.376 nan 8.310 nan 0.000 0.484 233 V N 1.878 121.793 119.914 0.002 0.000 2.358 233 V HA -0.152 3.967 4.120 -0.001 0.000 0.246 233 V C 2.238 178.380 176.094 0.081 0.000 1.047 233 V CA 1.541 63.869 62.300 0.046 0.000 1.035 233 V CB -0.490 31.466 31.823 0.222 0.000 0.658 233 V HN 0.400 nan 8.190 nan 0.000 0.452 234 K N 0.179 120.668 120.400 0.149 0.000 2.032 234 K HA -0.269 4.050 4.320 -0.001 0.000 0.209 234 K C 2.274 179.019 176.600 0.243 0.000 1.048 234 K CA 1.979 58.370 56.287 0.174 0.000 0.927 234 K CB -0.265 32.396 32.500 0.269 0.000 0.712 234 K HN 0.341 nan 8.250 nan 0.000 0.441 235 K N 1.195 121.746 120.400 0.251 0.000 2.032 235 K HA -0.251 4.068 4.320 -0.001 0.000 0.209 235 K C 2.158 178.875 176.600 0.195 0.000 1.048 235 K CA 1.883 58.330 56.287 0.266 0.000 0.927 235 K CB 0.004 32.583 32.500 0.132 0.000 0.712 235 K HN 0.009 nan 8.250 nan 0.000 0.441 236 E N 0.756 120.985 120.200 0.048 0.000 2.051 236 E HA -0.156 4.193 4.350 -0.001 0.000 0.192 236 E C 1.943 178.548 176.600 0.009 0.000 0.991 236 E CA 1.461 57.846 56.400 -0.025 0.000 0.799 236 E CB -0.172 29.462 29.700 -0.110 0.000 0.748 236 E HN 0.353 nan 8.360 nan 0.000 0.449 237 L N -0.135 121.103 121.223 0.025 0.000 2.093 237 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 237 L C 2.529 179.428 176.870 0.048 0.000 1.085 237 L CA 0.906 55.753 54.840 0.013 0.000 0.755 237 L CB -0.589 41.463 42.059 -0.011 0.000 0.904 237 L HN 0.218 nan 8.230 nan 0.000 0.435 238 A N -0.193 122.710 122.820 0.138 0.000 1.902 238 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 238 A C 2.226 180.006 177.584 0.327 0.000 1.181 238 A CA 1.526 53.698 52.037 0.225 0.000 0.623 238 A CB -0.466 18.825 19.000 0.485 0.000 0.818 238 A HN 0.467 nan 8.150 nan 0.000 0.443 239 Q N -0.978 118.975 119.800 0.255 0.000 2.226 239 Q HA -0.150 4.190 4.340 -0.001 0.000 0.204 239 Q C 1.292 177.291 176.000 -0.001 0.000 0.975 239 Q CA 1.250 57.050 55.803 -0.006 0.000 0.866 239 Q CB -0.024 28.566 28.738 -0.246 0.000 0.915 239 Q HN 0.599 nan 8.270 nan 0.000 0.440 240 Q N -0.241 119.569 119.800 0.016 0.000 2.247 240 Q HA 0.149 4.488 4.340 -0.001 0.000 0.204 240 Q C -0.413 175.607 176.000 0.033 0.000 0.872 240 Q CA -0.032 55.776 55.803 0.008 0.000 0.951 240 Q CB 0.669 29.401 28.738 -0.009 0.000 1.099 240 Q HN 0.269 nan 8.270 nan 0.000 0.501 241 R N 0.843 121.368 120.500 0.042 0.000 3.333 241 R HA -0.208 4.131 4.340 -0.001 0.000 0.256 241 R C -0.198 176.136 176.300 0.057 0.000 1.010 241 R CA 0.471 56.586 56.100 0.025 0.000 0.680 241 R CB -1.873 28.467 30.300 0.067 0.000 1.102 241 R HN 0.392 nan 8.270 nan 0.000 0.440 242 Q N 0.079 119.904 119.800 0.040 0.000 2.206 242 Q HA 0.198 4.537 4.340 -0.001 0.000 0.265 242 Q C 1.191 177.277 176.000 0.143 0.000 0.866 242 Q CA -0.236 55.629 55.803 0.103 0.000 1.073 242 Q CB 0.547 29.313 28.738 0.047 0.000 1.165 242 Q HN 0.432 nan 8.270 nan 0.000 0.465 243 L N 0.006 121.241 121.223 0.020 0.000 2.418 243 L HA 0.061 4.400 4.340 -0.001 0.000 0.218 243 L C 0.342 177.189 176.870 -0.039 0.000 1.125 243 L CA 0.921 55.740 54.840 -0.035 0.000 0.835 243 L CB 0.346 42.198 42.059 -0.344 0.000 0.953 243 L HN 0.189 nan 8.230 nan 0.000 0.454 244 E N 0.205 120.427 120.200 0.036 0.000 2.176 244 E HA 0.500 4.849 4.350 -0.001 0.000 0.267 244 E C -1.241 175.232 176.600 -0.210 0.000 0.893 244 E CA -0.529 55.683 56.400 -0.314 0.000 0.761 244 E CB 1.511 31.198 29.700 -0.022 0.000 1.133 244 E HN -0.008 nan 8.360 nan 0.000 0.409 245 F N -0.097 119.592 119.950 -0.434 0.000 2.686 245 F HA 0.492 5.019 4.527 -0.001 0.000 0.311 245 F C -1.445 174.224 175.800 -0.220 0.000 1.128 245 F CA -1.411 56.470 58.000 -0.198 0.000 0.946 245 F CB 0.788 39.710 39.000 -0.130 0.000 1.336 245 F HN 0.154 nan 8.300 nan 0.000 0.457 246 L N 2.574 123.939 121.223 0.236 0.000 2.268 246 L HA 0.174 4.513 4.340 -0.001 0.000 0.289 246 L C -1.097 176.001 176.870 0.381 0.000 1.064 246 L CA -0.252 54.726 54.840 0.230 0.000 0.824 246 L CB 0.507 42.709 42.059 0.239 0.000 1.202 246 L HN 0.590 nan 8.230 nan 0.000 0.433 247 W N 6.810 128.228 121.300 0.196 0.000 2.387 247 W HA 0.335 4.994 4.660 -0.001 0.000 0.310 247 W C 0.214 176.763 176.519 0.049 0.000 1.181 247 W CA -1.246 56.231 57.345 0.219 0.000 1.333 247 W CB 0.454 30.096 29.460 0.304 0.000 1.286 247 W HN 0.508 nan 8.180 nan 0.000 0.455 248 R N 3.797 124.472 120.500 0.292 0.000 2.828 248 R HA 0.543 4.882 4.340 -0.001 0.000 0.264 248 R C -0.140 176.070 176.300 -0.151 0.000 1.022 248 R CA -0.948 55.152 56.100 -0.000 0.000 1.021 248 R CB 1.112 31.395 30.300 -0.029 0.000 1.163 248 R HN 0.237 nan 8.270 nan 0.000 0.494 249 Q N 1.455 121.012 119.800 -0.406 0.000 2.392 249 Q HA 0.052 4.391 4.340 -0.001 0.000 0.262 249 Q C 1.465 177.063 176.000 -0.669 0.000 1.003 249 Q CA 0.131 55.494 55.803 -0.734 0.000 0.888 249 Q CB 0.830 28.689 28.738 -1.466 0.000 1.260 249 Q HN 0.847 nan 8.270 nan 0.000 0.435 250 I N -1.841 118.452 120.570 -0.462 0.000 2.530 250 I HA -0.171 3.999 4.170 -0.001 0.000 0.257 250 I C 1.265 177.313 176.117 -0.115 0.000 1.179 250 I CA 1.360 62.541 61.300 -0.197 0.000 1.440 250 I CB -0.361 37.620 38.000 -0.031 0.000 1.087 250 I HN 0.679 nan 8.210 nan 0.000 0.440 251 W N 1.322 122.678 121.300 0.093 0.000 3.220 251 W HA 0.381 5.041 4.660 -0.001 0.000 0.328 251 W C 0.165 176.763 176.519 0.132 0.000 1.205 251 W CA -0.777 56.687 57.345 0.200 0.000 1.773 251 W CB -0.697 28.971 29.460 0.347 0.000 1.086 251 W HN -0.065 nan 8.180 nan 0.000 0.622 252 D N 1.894 122.036 120.400 -0.431 0.000 2.422 252 D HA -0.017 4.622 4.640 -0.001 0.000 0.227 252 D C 1.015 177.285 176.300 -0.050 0.000 1.190 252 D CA 0.151 54.024 54.000 -0.212 0.000 0.905 252 D CB 0.308 40.885 40.800 -0.372 0.000 1.034 252 D HN 0.094 nan 8.370 nan 0.000 0.507 253 N N 3.720 122.451 118.700 0.053 0.000 2.216 253 N HA -0.140 4.600 4.740 -0.001 0.000 0.183 253 N C 1.426 176.955 175.510 0.032 0.000 1.017 253 N CA 1.136 54.214 53.050 0.046 0.000 0.861 253 N CB 0.136 38.673 38.487 0.082 0.000 0.986 253 N HN 0.345 nan 8.380 nan 0.000 0.428 254 K N -1.247 119.177 120.400 0.040 0.000 2.186 254 K HA 0.074 4.393 4.320 -0.001 0.000 0.202 254 K C 0.559 177.173 176.600 0.024 0.000 1.052 254 K CA 0.928 57.236 56.287 0.034 0.000 0.965 254 K CB 0.064 32.590 32.500 0.043 0.000 0.746 254 K HN 0.272 nan 8.250 nan 0.000 0.457 255 G N 1.212 110.018 108.800 0.010 0.000 2.159 255 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.227 255 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.227 255 G C 0.135 175.040 174.900 0.008 0.000 0.986 255 G CA 0.376 45.480 45.100 0.006 0.000 0.651 255 G HN 0.384 nan 8.290 nan 0.000 0.523 256 D N 0.599 121.005 120.400 0.011 0.000 2.310 256 D HA -0.018 4.622 4.640 -0.001 0.000 0.212 256 D C 2.558 178.852 176.300 -0.010 0.000 0.965 256 D CA 1.755 55.760 54.000 0.008 0.000 0.879 256 D CB -0.248 40.563 40.800 0.020 0.000 0.921 256 D HN 0.684 nan 8.370 nan 0.000 0.510 257 T N -2.250 112.289 114.554 -0.026 0.000 3.129 257 T HA 0.336 4.685 4.350 -0.001 0.000 0.251 257 T C 0.985 175.653 174.700 -0.052 0.000 1.117 257 T CA -0.086 61.982 62.100 -0.053 0.000 1.034 257 T CB -0.013 68.811 68.868 -0.075 0.000 0.968 257 T HN 0.076 nan 8.240 nan 0.000 0.526 258 A N 1.496 124.308 122.820 -0.013 0.000 2.565 258 A HA 0.514 4.833 4.320 -0.001 0.000 0.237 258 A C -0.229 177.380 177.584 0.042 0.000 1.053 258 A CA -0.232 51.828 52.037 0.037 0.000 0.755 258 A CB -0.209 18.836 19.000 0.074 0.000 0.980 258 A HN 0.562 nan 8.150 nan 0.000 0.506 259 L N 2.963 124.231 121.223 0.076 0.000 2.409 259 L HA 0.572 4.911 4.340 -0.001 0.000 0.272 259 L C -0.662 176.266 176.870 0.097 0.000 0.980 259 L CA -0.580 54.299 54.840 0.065 0.000 0.826 259 L CB 1.465 43.529 42.059 0.008 0.000 1.268 259 L HN 0.657 nan 8.230 nan 0.000 0.407 260 F N 3.889 123.802 119.950 -0.062 0.000 2.578 260 F HA 0.414 4.940 4.527 -0.001 0.000 0.381 260 F C 0.037 175.717 175.800 -0.200 0.000 1.069 260 F CA 0.758 58.684 58.000 -0.122 0.000 1.231 260 F CB 0.464 39.407 39.000 -0.095 0.000 1.086 260 F HN 0.578 nan 8.300 nan 0.000 0.564 261 T N 5.317 119.289 114.554 -0.971 0.000 2.861 261 T HA 0.228 4.578 4.350 -0.001 0.000 0.287 261 T C -1.646 172.427 174.700 -1.044 0.000 1.003 261 T CA -0.493 61.120 62.100 -0.812 0.000 0.977 261 T CB 1.051 69.450 68.868 -0.782 0.000 0.996 261 T HN 0.620 nan 8.240 nan 0.000 0.448 262 H N 2.444 121.213 119.070 -0.501 0.000 2.587 262 H HA 0.627 5.182 4.556 -0.001 0.000 0.325 262 H C -0.558 174.588 175.328 -0.302 0.000 1.012 262 H CA -0.756 55.118 56.048 -0.291 0.000 1.213 262 H CB 0.816 30.629 29.762 0.085 0.000 1.431 262 H HN 0.482 nan 8.280 nan 0.000 0.492 263 M N 6.792 126.067 119.600 -0.542 0.000 2.113 263 M HA 0.306 4.785 4.480 -0.001 0.000 0.352 263 M C -0.918 175.141 176.300 -0.401 0.000 1.170 263 M CA -0.634 54.420 55.300 -0.409 0.000 1.053 263 M CB 0.697 33.103 32.600 -0.322 0.000 1.601 263 M HN 0.706 nan 8.290 nan 0.000 0.459 264 M N 7.024 126.481 119.600 -0.239 0.000 2.245 264 M HA 0.166 4.645 4.480 -0.001 0.000 0.330 264 M C -1.484 174.675 176.300 -0.234 0.000 1.098 264 M CA -1.071 54.127 55.300 -0.169 0.000 1.172 264 M CB 0.355 32.870 32.600 -0.141 0.000 1.467 264 M HN 0.479 nan 8.290 nan 0.000 0.454 265 P HA 0.061 nan 4.420 nan 0.000 0.239 265 P C -0.264 176.834 177.300 -0.337 0.000 1.188 265 P CA 1.030 63.799 63.100 -0.551 0.000 0.794 265 P CB 0.290 31.348 31.700 -1.070 0.000 0.937 266 F N -2.256 117.690 119.950 -0.007 0.000 2.544 266 F HA 0.289 4.815 4.527 -0.001 0.000 0.378 266 F C 2.206 178.096 175.800 0.150 0.000 1.112 266 F CA -1.296 56.745 58.000 0.067 0.000 1.115 266 F CB 0.076 39.055 39.000 -0.035 0.000 1.436 266 F HN -0.311 nan 8.300 nan 0.000 0.496 267 Y N 0.353 120.801 120.300 0.247 0.000 2.373 267 Y HA 0.058 4.607 4.550 -0.001 0.000 0.293 267 Y C 0.808 176.627 175.900 -0.135 0.000 1.129 267 Y CA 1.090 59.197 58.100 0.012 0.000 1.226 267 Y CB 0.043 38.427 38.460 -0.126 0.000 1.000 267 Y HN 0.323 nan 8.280 nan 0.000 0.549 268 S N -1.759 113.787 115.700 -0.257 0.000 2.651 268 S HA 0.267 4.736 4.470 -0.001 0.000 0.279 268 S C -0.461 174.068 174.600 -0.117 0.000 1.148 268 S CA -0.415 57.540 58.200 -0.409 0.000 0.837 268 S CB 0.369 63.270 63.200 -0.499 0.000 1.138 268 S HN 0.283 nan 8.310 nan 0.000 0.478 269 Y N 0.734 120.987 120.300 -0.077 0.000 2.466 269 Y HA 0.330 4.879 4.550 -0.001 0.000 0.272 269 Y C 0.415 176.394 175.900 0.132 0.000 1.169 269 Y CA -0.706 57.380 58.100 -0.024 0.000 1.285 269 Y CB -1.025 37.329 38.460 -0.177 0.000 1.078 269 Y HN 0.532 nan 8.280 nan 0.000 0.523 270 D N 0.701 121.116 120.400 0.025 0.000 2.363 270 D HA -0.046 4.593 4.640 -0.001 0.000 0.240 270 D C 1.231 177.672 176.300 0.235 0.000 1.236 270 D CA -0.341 53.763 54.000 0.173 0.000 0.927 270 D CB 0.849 41.712 40.800 0.105 0.000 1.150 270 D HN 0.259 nan 8.370 nan 0.000 0.458 271 I N -0.113 120.571 120.570 0.190 0.000 2.226 271 I HA -0.161 4.008 4.170 -0.001 0.000 0.245 271 I C -0.746 175.428 176.117 0.094 0.000 1.100 271 I CA 0.909 62.308 61.300 0.164 0.000 1.374 271 I CB -1.137 36.945 38.000 0.136 0.000 1.057 271 I HN 0.355 nan 8.210 nan 0.000 0.413 272 P HA -0.159 nan 4.420 nan 0.000 0.219 272 P C 0.581 177.618 177.300 -0.437 0.000 1.146 272 P CA 1.614 64.572 63.100 -0.237 0.000 0.808 272 P CB -0.109 31.449 31.700 -0.237 0.000 0.779 273 H N -2.834 116.237 119.070 0.003 0.000 2.486 273 H HA 0.221 4.777 4.556 -0.001 0.000 0.284 273 H C 0.873 176.305 175.328 0.173 0.000 1.103 273 H CA 0.561 56.623 56.048 0.022 0.000 1.089 273 H CB -0.213 29.626 29.762 0.128 0.000 1.603 273 H HN 0.106 nan 8.280 nan 0.000 0.557 274 T N -4.427 110.256 114.554 0.215 0.000 3.009 274 T HA -0.024 4.325 4.350 -0.001 0.000 0.267 274 T C 1.778 176.605 174.700 0.211 0.000 0.942 274 T CA 0.355 62.603 62.100 0.247 0.000 0.883 274 T CB -0.711 68.293 68.868 0.228 0.000 1.192 274 T HN 0.502 nan 8.240 nan 0.000 0.524 275 c N 1.511 120.210 118.600 0.164 0.000 2.563 275 c HA 0.722 5.291 4.570 -0.001 0.000 0.268 275 c C 1.337 175.550 174.090 0.205 0.000 1.365 275 c CA 0.413 56.876 56.329 0.224 0.000 1.754 275 c CB -1.103 41.491 42.510 0.140 0.000 1.932 275 c HN 0.881 nan 8.230 nan 0.000 0.536 276 G N -0.191 108.658 108.800 0.082 0.000 2.317 276 G HA2 0.377 4.337 3.960 -0.001 0.000 0.293 276 G HA3 0.377 4.337 3.960 -0.001 0.000 0.293 276 G C -2.638 171.940 174.900 -0.536 0.000 1.287 276 G CA 0.244 45.344 45.100 -0.000 0.000 0.850 276 G HN -0.106 nan 8.290 nan 0.000 0.515 277 P HA 0.062 nan 4.420 nan 0.000 0.226 277 P C -0.104 176.798 177.300 -0.663 0.000 1.153 277 P CA 1.151 63.623 63.100 -1.046 0.000 0.777 277 P CB 0.341 31.724 31.700 -0.529 0.000 0.794 278 D N 0.738 120.853 120.400 -0.476 0.000 2.454 278 D HA 0.139 4.778 4.640 -0.001 0.000 0.225 278 D C -1.412 174.543 176.300 -0.575 0.000 1.081 278 D CA -2.650 51.102 54.000 -0.414 0.000 0.864 278 D CB 1.300 41.943 40.800 -0.263 0.000 1.040 278 D HN 0.008 nan 8.370 nan 0.000 0.517 279 P HA -0.164 nan 4.420 nan 0.000 0.220 279 P C 1.246 177.724 177.300 -1.370 0.000 1.148 279 P CA 0.732 63.054 63.100 -1.296 0.000 0.803 279 P CB 0.549 31.139 31.700 -1.849 0.000 0.782 280 K N 0.197 119.923 120.400 -1.122 0.000 2.147 280 K HA -0.067 4.253 4.320 -0.001 0.000 0.205 280 K C 1.836 178.267 176.600 -0.282 0.000 1.049 280 K CA 1.071 57.033 56.287 -0.543 0.000 0.936 280 K CB -0.201 32.166 32.500 -0.222 0.000 0.722 280 K HN -0.053 nan 8.250 nan 0.000 0.446 281 V N 0.137 119.882 119.914 -0.281 0.000 2.379 281 V HA -0.216 3.904 4.120 -0.001 0.000 0.243 281 V C 2.335 178.411 176.094 -0.030 0.000 1.035 281 V CA 1.258 63.492 62.300 -0.111 0.000 1.035 281 V CB -0.208 31.560 31.823 -0.093 0.000 0.673 281 V HN 0.468 nan 8.190 nan 0.000 0.457 282 c N -0.702 117.801 118.600 -0.162 0.000 2.422 282 c HA -0.198 4.371 4.570 -0.001 0.000 0.279 282 c C 2.977 177.054 174.090 -0.022 0.000 1.305 282 c CA 0.823 57.121 56.329 -0.052 0.000 1.757 282 c CB -1.481 40.920 42.510 -0.180 0.000 1.962 282 c HN 0.756 nan 8.230 nan 0.000 0.499 283 c N 0.801 119.306 118.600 -0.159 0.000 2.410 283 c HA -0.149 4.420 4.570 -0.001 0.000 0.281 283 c C 2.606 176.604 174.090 -0.154 0.000 1.318 283 c CA 1.235 57.520 56.329 -0.073 0.000 1.776 283 c CB -1.462 41.097 42.510 0.082 0.000 1.942 283 c HN 0.639 nan 8.230 nan 0.000 0.508 284 Q N -1.369 118.292 119.800 -0.232 0.000 2.488 284 Q HA -0.017 4.322 4.340 -0.001 0.000 0.211 284 Q C 0.611 175.966 176.000 -1.076 0.000 0.967 284 Q CA 0.976 56.450 55.803 -0.549 0.000 0.926 284 Q CB -0.019 28.382 28.738 -0.561 0.000 0.992 284 Q HN 0.749 nan 8.270 nan 0.000 0.506 285 F N -0.284 119.389 119.950 -0.463 0.000 2.708 285 F HA 0.171 4.697 4.527 -0.001 0.000 0.300 285 F C 0.181 175.694 175.800 -0.478 0.000 1.118 285 F CA -0.578 57.040 58.000 -0.637 0.000 1.307 285 F CB 0.797 39.659 39.000 -0.231 0.000 0.986 285 F HN -0.149 nan 8.300 nan 0.000 0.522 286 D N 0.066 120.238 120.400 -0.380 0.000 2.485 286 D HA 0.145 4.784 4.640 -0.001 0.000 0.229 286 D C 0.506 176.615 176.300 -0.318 0.000 1.101 286 D CA -0.410 53.494 54.000 -0.161 0.000 0.906 286 D CB 0.141 40.900 40.800 -0.069 0.000 1.019 286 D HN 0.098 nan 8.370 nan 0.000 0.516 287 F N 1.765 121.715 119.950 0.001 0.000 2.771 287 F HA 0.061 4.588 4.527 -0.001 0.000 0.299 287 F C 2.323 178.067 175.800 -0.093 0.000 1.177 287 F CA 0.362 58.335 58.000 -0.045 0.000 1.450 287 F CB 0.100 39.092 39.000 -0.012 0.000 1.114 287 F HN 0.253 nan 8.300 nan 0.000 0.587 288 K N 0.721 121.051 120.400 -0.116 0.000 2.487 288 K HA 0.068 4.388 4.320 -0.001 0.000 0.192 288 K C 1.023 177.573 176.600 -0.082 0.000 1.027 288 K CA 0.190 56.275 56.287 -0.337 0.000 1.054 288 K CB 0.142 32.298 32.500 -0.573 0.000 0.824 288 K HN 0.190 nan 8.250 nan 0.000 0.510 289 R N 0.116 120.597 120.500 -0.032 0.000 2.586 289 R HA 0.209 4.548 4.340 -0.001 0.000 0.306 289 R C 0.806 177.127 176.300 0.035 0.000 1.079 289 R CA -0.168 55.938 56.100 0.010 0.000 1.083 289 R CB 0.243 30.528 30.300 -0.026 0.000 1.306 289 R HN 0.189 nan 8.270 nan 0.000 0.567 290 M N -0.924 118.731 119.600 0.092 0.000 2.502 290 M HA 0.162 4.641 4.480 -0.001 0.000 0.243 290 M C 1.148 177.486 176.300 0.063 0.000 1.130 290 M CA 0.746 56.086 55.300 0.067 0.000 1.055 290 M CB 0.891 33.542 32.600 0.085 0.000 1.457 290 M HN 0.508 nan 8.290 nan 0.000 0.488 291 G N -0.059 108.796 108.800 0.091 0.000 3.638 291 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.196 291 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.196 291 G C 0.980 175.896 174.900 0.025 0.000 1.315 291 G CA 0.239 45.368 45.100 0.048 0.000 0.944 291 G HN 0.385 nan 8.290 nan 0.000 0.434 292 S N 0.378 116.061 115.700 -0.027 0.000 2.440 292 S HA 0.093 4.563 4.470 -0.001 0.000 0.238 292 S C 1.823 176.253 174.600 -0.283 0.000 1.010 292 S CA 1.808 59.898 58.200 -0.184 0.000 0.972 292 S CB -0.469 62.550 63.200 -0.302 0.000 0.774 292 S HN 0.432 nan 8.310 nan 0.000 0.501 293 F N 1.766 121.711 119.950 -0.008 0.000 2.765 293 F HA 0.411 4.938 4.527 -0.001 0.000 0.302 293 F C 1.909 177.704 175.800 -0.009 0.000 1.111 293 F CA 0.092 58.086 58.000 -0.011 0.000 1.359 293 F CB -0.054 38.936 39.000 -0.016 0.000 1.097 293 F HN 0.381 nan 8.300 nan 0.000 0.577 294 G N 1.143 110.014 108.800 0.118 0.000 2.143 294 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.248 294 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.248 294 G C -0.082 174.866 174.900 0.079 0.000 0.991 294 G CA 0.066 45.210 45.100 0.073 0.000 0.689 294 G HN 0.304 nan 8.290 nan 0.000 0.522 295 L N 0.123 121.407 121.223 0.102 0.000 2.319 295 L HA 0.876 5.215 4.340 -0.001 0.000 0.267 295 L C 0.554 177.452 176.870 0.047 0.000 1.011 295 L CA -0.381 54.499 54.840 0.067 0.000 0.818 295 L CB 2.286 44.380 42.059 0.059 0.000 1.316 295 L HN 0.454 nan 8.230 nan 0.000 0.432 296 S N -0.837 114.878 115.700 0.025 0.000 2.688 296 S HA 0.531 5.001 4.470 -0.001 0.000 0.275 296 S C -1.273 173.335 174.600 0.012 0.000 1.175 296 S CA -0.814 57.393 58.200 0.011 0.000 0.818 296 S CB 1.583 64.781 63.200 -0.004 0.000 1.157 296 S HN 0.526 nan 8.310 nan 0.000 0.482 297 c N 2.546 121.157 118.600 0.019 0.000 2.255 297 c HA 0.536 5.105 4.570 -0.001 0.000 0.326 297 c C -1.279 172.783 174.090 -0.047 0.000 1.258 297 c CA -1.021 55.355 56.329 0.077 0.000 1.676 297 c CB 0.625 43.228 42.510 0.154 0.000 2.314 297 c HN 0.768 nan 8.230 nan 0.000 0.509 298 P HA -0.113 nan 4.420 nan 0.000 0.219 298 P C 1.208 178.179 177.300 -0.549 0.000 1.146 298 P CA 1.355 64.116 63.100 -0.564 0.000 0.808 298 P CB 0.046 31.122 31.700 -1.041 0.000 0.779 299 W N -0.370 120.908 121.300 -0.037 0.000 3.077 299 W HA 0.142 4.802 4.660 -0.001 0.000 0.245 299 W C 0.551 177.044 176.519 -0.043 0.000 1.316 299 W CA 0.355 57.674 57.345 -0.043 0.000 1.537 299 W CB -0.691 28.734 29.460 -0.058 0.000 1.131 299 W HN 0.119 nan 8.180 nan 0.000 0.695 300 K N -0.976 119.458 120.400 0.058 0.000 3.407 300 K HA -0.187 4.132 4.320 -0.001 0.000 0.312 300 K C -0.397 176.224 176.600 0.035 0.000 1.302 300 K CA 0.537 56.840 56.287 0.026 0.000 0.931 300 K CB -1.967 30.537 32.500 0.007 0.000 1.257 300 K HN -0.095 nan 8.250 nan 0.000 0.454 301 V N 1.573 121.522 119.914 0.058 0.000 2.407 301 V HA 0.331 4.451 4.120 -0.001 0.000 0.291 301 V C -1.775 174.311 176.094 -0.013 0.000 1.018 301 V CA -1.478 60.830 62.300 0.013 0.000 0.842 301 V CB 1.569 33.397 31.823 0.008 0.000 0.996 301 V HN -0.017 nan 8.190 nan 0.000 0.426 302 P HA 0.474 nan 4.420 nan 0.000 0.278 302 P C -2.904 174.307 177.300 -0.149 0.000 1.258 302 P CA -2.096 60.962 63.100 -0.070 0.000 0.811 302 P CB 0.947 32.619 31.700 -0.046 0.000 1.063 303 P HA 0.355 nan 4.420 nan 0.000 0.274 303 P C -0.345 176.847 177.300 -0.180 0.000 1.237 303 P CA -0.087 62.797 63.100 -0.360 0.000 0.793 303 P CB 0.652 32.072 31.700 -0.467 0.000 0.977 304 R N 0.119 120.527 120.500 -0.153 0.000 2.628 304 R HA 0.407 4.747 4.340 -0.001 0.000 0.288 304 R C -0.447 175.904 176.300 0.084 0.000 0.980 304 R CA -0.625 55.456 56.100 -0.032 0.000 0.891 304 R CB 1.456 31.716 30.300 -0.066 0.000 1.188 304 R HN 0.370 nan 8.270 nan 0.000 0.450 305 T N 3.918 118.518 114.554 0.077 0.000 2.933 305 T HA 0.033 4.382 4.350 -0.001 0.000 0.306 305 T C 0.726 175.414 174.700 -0.021 0.000 1.045 305 T CA 0.149 62.271 62.100 0.037 0.000 1.143 305 T CB 0.150 69.019 68.868 0.002 0.000 1.003 305 T HN 0.190 nan 8.240 nan 0.000 0.540 306 I N 3.891 124.398 120.570 -0.105 0.000 2.496 306 I HA 0.248 4.417 4.170 -0.001 0.000 0.285 306 I C 1.006 177.069 176.117 -0.090 0.000 1.080 306 I CA 0.059 61.297 61.300 -0.104 0.000 1.404 306 I CB 0.315 38.210 38.000 -0.175 0.000 1.403 306 I HN 0.779 nan 8.210 nan 0.000 0.539 307 S N 3.846 119.504 115.700 -0.068 0.000 2.704 307 S HA 0.450 4.919 4.470 -0.001 0.000 0.296 307 S C 0.345 174.911 174.600 -0.057 0.000 1.138 307 S CA -0.754 57.414 58.200 -0.054 0.000 0.875 307 S CB 2.091 65.268 63.200 -0.038 0.000 1.151 307 S HN 0.498 nan 8.310 nan 0.000 0.500 308 D N 0.562 120.938 120.400 -0.039 0.000 2.218 308 D HA -0.039 4.600 4.640 -0.001 0.000 0.204 308 D C 1.562 177.836 176.300 -0.043 0.000 0.976 308 D CA 1.342 55.321 54.000 -0.036 0.000 0.853 308 D CB -0.217 40.577 40.800 -0.011 0.000 0.939 308 D HN 0.516 nan 8.370 nan 0.000 0.481 309 Q N 0.151 119.930 119.800 -0.036 0.000 2.311 309 Q HA -0.023 4.317 4.340 -0.001 0.000 0.203 309 Q C 1.255 177.231 176.000 -0.040 0.000 0.954 309 Q CA 0.833 56.618 55.803 -0.030 0.000 0.885 309 Q CB -0.060 28.665 28.738 -0.021 0.000 0.963 309 Q HN 0.365 nan 8.270 nan 0.000 0.471 310 N N -1.672 116.996 118.700 -0.053 0.000 2.171 310 N HA -0.009 4.731 4.740 -0.001 0.000 0.212 310 N C 1.068 176.530 175.510 -0.079 0.000 1.184 310 N CA 0.113 53.132 53.050 -0.051 0.000 0.888 310 N CB -0.239 38.225 38.487 -0.039 0.000 1.038 310 N HN 0.039 nan 8.380 nan 0.000 0.517 311 V N 0.514 120.345 119.914 -0.140 0.000 2.407 311 V HA -0.114 4.005 4.120 -0.001 0.000 0.248 311 V C 2.236 178.119 176.094 -0.353 0.000 1.055 311 V CA 2.115 64.274 62.300 -0.236 0.000 1.049 311 V CB -0.858 30.788 31.823 -0.295 0.000 0.662 311 V HN 0.450 nan 8.190 nan 0.000 0.455 312 A N -0.258 122.353 122.820 -0.349 0.000 1.873 312 A HA -0.017 4.303 4.320 -0.001 0.000 0.215 312 A C 2.424 180.067 177.584 0.097 0.000 1.186 312 A CA 2.042 54.021 52.037 -0.097 0.000 0.616 312 A CB -1.001 18.043 19.000 0.072 0.000 0.823 312 A HN 0.790 nan 8.150 nan 0.000 0.442 313 A N -0.514 122.331 122.820 0.042 0.000 1.898 313 A HA -0.129 4.191 4.320 -0.001 0.000 0.216 313 A C 2.237 179.865 177.584 0.074 0.000 1.181 313 A CA 1.355 53.431 52.037 0.065 0.000 0.620 313 A CB -0.426 18.594 19.000 0.032 0.000 0.819 313 A HN 0.406 nan 8.150 nan 0.000 0.442 314 R N 0.032 120.565 120.500 0.056 0.000 2.081 314 R HA -0.050 4.289 4.340 -0.001 0.000 0.235 314 R C 2.410 178.758 176.300 0.080 0.000 1.131 314 R CA 1.570 57.753 56.100 0.140 0.000 0.960 314 R CB -0.983 29.393 30.300 0.126 0.000 0.856 314 R HN 0.528 nan 8.270 nan 0.000 0.436 315 S N 1.294 116.993 115.700 -0.001 0.000 2.383 315 S HA -0.113 4.356 4.470 -0.001 0.000 0.227 315 S C 1.332 175.823 174.600 -0.183 0.000 1.026 315 S CA 1.225 59.328 58.200 -0.162 0.000 0.981 315 S CB -0.199 63.036 63.200 0.059 0.000 0.818 315 S HN 0.256 nan 8.310 nan 0.000 0.472 316 D N 1.669 122.155 120.400 0.144 0.000 2.106 316 D HA -0.101 4.538 4.640 -0.001 0.000 0.191 316 D C 1.915 178.233 176.300 0.029 0.000 0.997 316 D CA 0.972 55.112 54.000 0.234 0.000 0.834 316 D CB -0.466 40.464 40.800 0.217 0.000 0.956 316 D HN 0.286 nan 8.370 nan 0.000 0.448 317 L N -0.087 121.125 121.223 -0.019 0.000 2.017 317 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 317 L C 2.460 179.150 176.870 -0.299 0.000 1.073 317 L CA 0.559 55.356 54.840 -0.072 0.000 0.745 317 L CB -0.288 41.797 42.059 0.042 0.000 0.894 317 L HN 0.087 nan 8.230 nan 0.000 0.432 318 L N -0.740 120.130 121.223 -0.587 0.000 2.027 318 L HA -0.139 4.201 4.340 -0.001 0.000 0.206 318 L C 2.335 178.532 176.870 -1.121 0.000 1.074 318 L CA 1.566 55.738 54.840 -1.112 0.000 0.745 318 L CB -0.350 40.766 42.059 -1.572 0.000 0.898 318 L HN -0.077 nan 8.230 nan 0.000 0.433 319 V N -0.032 119.342 119.914 -0.901 0.000 2.490 319 V HA -0.298 3.821 4.120 -0.001 0.000 0.250 319 V C 2.284 178.217 176.094 -0.268 0.000 1.061 319 V CA 1.878 63.796 62.300 -0.637 0.000 1.064 319 V CB -0.795 30.631 31.823 -0.661 0.000 0.670 319 V HN 0.607 nan 8.190 nan 0.000 0.461 320 D N -0.807 119.496 120.400 -0.162 0.000 2.117 320 D HA -0.196 4.443 4.640 -0.001 0.000 0.198 320 D C 2.219 178.499 176.300 -0.033 0.000 0.982 320 D CA 1.087 55.104 54.000 0.029 0.000 0.828 320 D CB -0.013 40.860 40.800 0.122 0.000 0.967 320 D HN 0.279 nan 8.370 nan 0.000 0.464 321 Q N -0.429 119.283 119.800 -0.146 0.000 2.050 321 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 321 Q C 2.115 178.132 176.000 0.028 0.000 0.980 321 Q CA 0.996 56.738 55.803 -0.103 0.000 0.840 321 Q CB -0.597 28.020 28.738 -0.202 0.000 0.898 321 Q HN 0.551 nan 8.270 nan 0.000 0.424 322 W N 1.455 122.652 121.300 -0.171 0.000 2.338 322 W HA -0.110 4.549 4.660 -0.001 0.000 0.304 322 W C 2.105 178.510 176.519 -0.191 0.000 1.212 322 W CA 0.771 58.013 57.345 -0.172 0.000 1.264 322 W CB -0.691 28.640 29.460 -0.216 0.000 1.142 322 W HN 0.213 nan 8.180 nan 0.000 0.512 323 K N 0.108 120.472 120.400 -0.061 0.000 2.148 323 K HA -0.141 4.178 4.320 -0.001 0.000 0.204 323 K C 1.955 178.397 176.600 -0.262 0.000 1.050 323 K CA 1.228 57.317 56.287 -0.330 0.000 0.942 323 K CB -0.169 31.806 32.500 -0.874 0.000 0.724 323 K HN 0.076 nan 8.250 nan 0.000 0.446 324 K N 0.821 121.162 120.400 -0.099 0.000 2.031 324 K HA -0.125 4.194 4.320 -0.001 0.000 0.205 324 K C 2.076 178.743 176.600 0.112 0.000 1.049 324 K CA 1.086 57.438 56.287 0.109 0.000 0.939 324 K CB 0.012 32.596 32.500 0.140 0.000 0.717 324 K HN -0.001 nan 8.250 nan 0.000 0.438 325 K N 0.911 121.380 120.400 0.115 0.000 2.063 325 K HA -0.146 4.173 4.320 -0.001 0.000 0.208 325 K C 2.047 178.760 176.600 0.188 0.000 1.048 325 K CA 1.347 57.725 56.287 0.153 0.000 0.928 325 K CB -0.124 32.480 32.500 0.173 0.000 0.713 325 K HN 0.142 nan 8.250 nan 0.000 0.442 326 A N 1.195 124.108 122.820 0.156 0.000 2.076 326 A HA -0.152 4.167 4.320 -0.001 0.000 0.220 326 A C 1.711 179.460 177.584 0.275 0.000 1.160 326 A CA 1.415 53.578 52.037 0.211 0.000 0.653 326 A CB -0.336 18.740 19.000 0.127 0.000 0.801 326 A HN 0.317 nan 8.150 nan 0.000 0.455 327 E N -0.078 120.261 120.200 0.232 0.000 2.338 327 E HA -0.062 4.288 4.350 -0.001 0.000 0.197 327 E C 1.602 178.328 176.600 0.209 0.000 1.007 327 E CA 0.571 57.120 56.400 0.248 0.000 0.849 327 E CB -0.209 29.662 29.700 0.286 0.000 0.774 327 E HN 0.721 nan 8.360 nan 0.000 0.506 328 L N -0.515 120.786 121.223 0.131 0.000 2.558 328 L HA 0.038 4.377 4.340 -0.001 0.000 0.225 328 L C 0.268 176.918 176.870 -0.366 0.000 1.128 328 L CA 0.274 55.058 54.840 -0.094 0.000 0.868 328 L CB -0.069 41.814 42.059 -0.293 0.000 1.006 328 L HN 0.007 nan 8.230 nan 0.000 0.454 329 Y N -1.627 118.755 120.300 0.136 0.000 2.630 329 Y HA 0.375 4.924 4.550 -0.001 0.000 0.337 329 Y C 1.202 177.219 175.900 0.194 0.000 1.051 329 Y CA -0.961 57.241 58.100 0.169 0.000 1.121 329 Y CB 1.102 39.672 38.460 0.183 0.000 1.299 329 Y HN -0.289 nan 8.280 nan 0.000 0.498 330 R N -0.579 120.168 120.500 0.412 0.000 2.265 330 R HA 0.084 4.424 4.340 -0.001 0.000 0.194 330 R C 0.336 176.772 176.300 0.227 0.000 0.931 330 R CA 0.794 57.046 56.100 0.253 0.000 1.032 330 R CB 0.243 30.626 30.300 0.138 0.000 0.980 330 R HN 0.761 nan 8.270 nan 0.000 0.497 331 T N -0.851 113.879 114.554 0.293 0.000 2.922 331 T HA 0.105 4.455 4.350 -0.001 0.000 0.281 331 T C 0.617 175.463 174.700 0.244 0.000 1.005 331 T CA -0.932 61.306 62.100 0.229 0.000 0.982 331 T CB 1.221 70.202 68.868 0.188 0.000 1.158 331 T HN 0.077 nan 8.240 nan 0.000 0.566 332 N N 0.053 118.867 118.700 0.191 0.000 2.327 332 N HA 0.138 4.877 4.740 -0.001 0.000 0.231 332 N C -0.741 174.750 175.510 -0.032 0.000 1.130 332 N CA -0.363 52.761 53.050 0.124 0.000 0.845 332 N CB -0.108 38.369 38.487 -0.016 0.000 1.073 332 N HN 0.371 nan 8.380 nan 0.000 0.496 333 V N 1.354 121.284 119.914 0.028 0.000 2.409 333 V HA 0.408 4.527 4.120 -0.001 0.000 0.291 333 V C -0.621 175.551 176.094 0.130 0.000 1.020 333 V CA -0.967 61.348 62.300 0.026 0.000 0.848 333 V CB 1.557 33.374 31.823 -0.009 0.000 0.990 333 V HN 0.188 nan 8.190 nan 0.000 0.430 334 L N 5.819 127.055 121.223 0.022 0.000 2.341 334 L HA 0.696 5.035 4.340 -0.001 0.000 0.278 334 L C -0.822 175.913 176.870 -0.225 0.000 1.005 334 L CA -0.444 54.336 54.840 -0.101 0.000 0.818 334 L CB 1.649 43.542 42.059 -0.276 0.000 1.259 334 L HN 0.638 nan 8.230 nan 0.000 0.418 335 L N 6.370 127.246 121.223 -0.578 0.000 2.275 335 L HA 0.573 4.912 4.340 -0.001 0.000 0.288 335 L C -1.070 175.505 176.870 -0.491 0.000 1.046 335 L CA 0.129 54.465 54.840 -0.840 0.000 0.805 335 L CB 0.830 41.873 42.059 -1.693 0.000 1.193 335 L HN 0.448 nan 8.230 nan 0.000 0.426 336 I N 7.212 127.582 120.570 -0.332 0.000 2.537 336 I HA 0.349 4.518 4.170 -0.001 0.000 0.276 336 I C -2.312 173.788 176.117 -0.029 0.000 1.063 336 I CA -2.058 59.144 61.300 -0.165 0.000 1.144 336 I CB 1.029 38.920 38.000 -0.183 0.000 1.252 336 I HN 0.433 nan 8.210 nan 0.000 0.480 337 P HA 0.178 nan 4.420 nan 0.000 0.269 337 P C -0.467 177.018 177.300 0.309 0.000 1.209 337 P CA -0.217 63.021 63.100 0.229 0.000 0.776 337 P CB 0.863 32.731 31.700 0.280 0.000 0.876 338 L N 3.038 124.486 121.223 0.376 0.000 2.454 338 L HA 0.763 5.102 4.340 -0.001 0.000 0.258 338 L C -0.135 176.807 176.870 0.120 0.000 1.025 338 L CA 0.379 55.358 54.840 0.233 0.000 0.901 338 L CB 0.490 42.620 42.059 0.119 0.000 1.210 338 L HN 0.604 nan 8.230 nan 0.000 0.457 339 G N 1.781 110.521 108.800 -0.100 0.000 2.342 339 G HA2 0.471 4.430 3.960 -0.001 0.000 0.297 339 G HA3 0.471 4.430 3.960 -0.001 0.000 0.297 339 G C -2.179 172.600 174.900 -0.202 0.000 1.313 339 G CA -0.233 44.564 45.100 -0.506 0.000 0.830 339 G HN 0.402 nan 8.290 nan 0.000 0.506 340 D N -1.737 118.618 120.400 -0.075 0.000 2.992 340 D HA 0.305 4.944 4.640 -0.001 0.000 0.349 340 D C -1.458 174.992 176.300 0.250 0.000 1.393 340 D CA -0.423 53.713 54.000 0.228 0.000 0.887 340 D CB 1.383 42.261 40.800 0.130 0.000 1.447 340 D HN 0.215 nan 8.370 nan 0.000 0.524 341 D N 0.402 120.998 120.400 0.326 0.000 2.417 341 D HA 0.218 4.857 4.640 -0.001 0.000 0.250 341 D C 0.174 176.660 176.300 0.310 0.000 1.166 341 D CA 0.432 54.629 54.000 0.328 0.000 0.881 341 D CB -0.256 40.838 40.800 0.489 0.000 1.164 341 D HN 0.350 nan 8.370 nan 0.000 0.467 342 F N 0.201 120.228 119.950 0.127 0.000 3.048 342 F HA -0.313 4.213 4.527 -0.001 0.000 0.269 342 F C 1.131 176.978 175.800 0.080 0.000 0.960 342 F CA 0.605 58.656 58.000 0.085 0.000 0.909 342 F CB -0.854 38.184 39.000 0.063 0.000 0.837 342 F HN 0.198 nan 8.300 nan 0.000 0.768 343 R N -0.373 120.218 120.500 0.151 0.000 2.583 343 R HA 0.480 4.820 4.340 -0.001 0.000 0.268 343 R C 0.722 177.043 176.300 0.035 0.000 1.101 343 R CA -0.724 55.340 56.100 -0.060 0.000 1.180 343 R CB -0.033 30.102 30.300 -0.275 0.000 1.128 343 R HN 0.262 nan 8.270 nan 0.000 0.568 344 F N -0.706 119.096 119.950 -0.246 0.000 3.071 344 F HA -0.280 4.247 4.527 -0.001 0.000 0.295 344 F C 1.367 177.147 175.800 -0.033 0.000 0.919 344 F CA 0.917 58.590 58.000 -0.545 0.000 1.050 344 F CB -0.884 37.538 39.000 -0.962 0.000 1.040 344 F HN 0.595 nan 8.300 nan 0.000 0.692 345 K N 0.099 120.574 120.400 0.126 0.000 2.099 345 K HA 0.072 4.391 4.320 -0.001 0.000 0.203 345 K C 0.730 177.491 176.600 0.269 0.000 1.047 345 K CA 0.834 57.266 56.287 0.242 0.000 0.963 345 K CB 0.241 32.850 32.500 0.182 0.000 0.759 345 K HN 0.454 nan 8.250 nan 0.000 0.451 346 Q N 0.356 120.282 119.800 0.211 0.000 2.230 346 Q HA 0.145 4.484 4.340 -0.001 0.000 0.248 346 Q C 0.129 176.324 176.000 0.325 0.000 0.915 346 Q CA -0.353 55.598 55.803 0.247 0.000 0.900 346 Q CB 1.437 30.333 28.738 0.263 0.000 1.229 346 Q HN 0.229 nan 8.270 nan 0.000 0.439 347 N N 0.121 119.000 118.700 0.297 0.000 2.104 347 N HA -0.214 4.525 4.740 -0.001 0.000 0.190 347 N C 1.612 177.268 175.510 0.243 0.000 1.024 347 N CA 1.971 55.210 53.050 0.314 0.000 0.853 347 N CB -0.013 38.686 38.487 0.354 0.000 1.008 347 N HN 0.704 nan 8.380 nan 0.000 0.424 348 T N -1.315 113.393 114.554 0.256 0.000 2.833 348 T HA -0.181 4.168 4.350 -0.001 0.000 0.269 348 T C 1.655 176.545 174.700 0.317 0.000 1.054 348 T CA 1.183 63.450 62.100 0.279 0.000 1.135 348 T CB -0.244 68.782 68.868 0.265 0.000 0.869 348 T HN 0.331 nan 8.240 nan 0.000 0.466 349 E N -0.267 120.071 120.200 0.230 0.000 2.072 349 E HA -0.095 4.254 4.350 -0.001 0.000 0.190 349 E C 1.836 178.361 176.600 -0.125 0.000 0.982 349 E CA 0.730 57.042 56.400 -0.146 0.000 0.803 349 E CB -0.260 29.192 29.700 -0.412 0.000 0.755 349 E HN 0.708 nan 8.360 nan 0.000 0.453 350 W N 1.763 122.984 121.300 -0.131 0.000 2.335 350 W HA -0.187 4.472 4.660 -0.001 0.000 0.311 350 W C 2.142 178.606 176.519 -0.092 0.000 1.213 350 W CA 1.310 58.549 57.345 -0.175 0.000 1.274 350 W CB -0.288 28.662 29.460 -0.851 0.000 1.148 350 W HN 0.177 nan 8.180 nan 0.000 0.498 351 D N -0.511 119.988 120.400 0.164 0.000 2.097 351 D HA -0.182 4.458 4.640 -0.001 0.000 0.195 351 D C 2.273 178.652 176.300 0.132 0.000 0.989 351 D CA 1.529 55.638 54.000 0.182 0.000 0.827 351 D CB -1.020 39.895 40.800 0.192 0.000 0.966 351 D HN 0.032 nan 8.370 nan 0.000 0.456 352 V N 0.913 120.899 119.914 0.120 0.000 2.427 352 V HA -0.213 3.906 4.120 -0.001 0.000 0.248 352 V C 2.209 178.342 176.094 0.066 0.000 1.051 352 V CA 1.578 63.931 62.300 0.089 0.000 1.048 352 V CB -0.065 31.856 31.823 0.164 0.000 0.666 352 V HN 0.148 nan 8.190 nan 0.000 0.456 353 Q N -0.283 119.598 119.800 0.135 0.000 2.020 353 Q HA -0.179 4.160 4.340 -0.001 0.000 0.198 353 Q C 2.347 178.548 176.000 0.335 0.000 0.974 353 Q CA 1.901 57.883 55.803 0.298 0.000 0.829 353 Q CB -0.509 28.398 28.738 0.281 0.000 0.894 353 Q HN 0.621 nan 8.270 nan 0.000 0.433 354 R N 0.538 121.198 120.500 0.265 0.000 2.073 354 R HA -0.114 4.225 4.340 -0.001 0.000 0.234 354 R C 2.256 178.707 176.300 0.252 0.000 1.134 354 R CA 1.448 57.740 56.100 0.320 0.000 0.952 354 R CB -0.125 30.314 30.300 0.233 0.000 0.850 354 R HN 0.063 nan 8.270 nan 0.000 0.433 355 V N 2.032 122.014 119.914 0.113 0.000 2.295 355 V HA -0.259 3.860 4.120 -0.001 0.000 0.246 355 V C 2.054 178.076 176.094 -0.120 0.000 1.049 355 V CA 1.989 64.302 62.300 0.022 0.000 1.024 355 V CB -0.651 31.174 31.823 0.003 0.000 0.648 355 V HN 0.450 nan 8.190 nan 0.000 0.447 356 N N -0.768 117.746 118.700 -0.311 0.000 2.120 356 N HA -0.175 4.564 4.740 -0.001 0.000 0.188 356 N C 1.854 177.039 175.510 -0.540 0.000 1.024 356 N CA 1.693 54.348 53.050 -0.659 0.000 0.852 356 N CB -0.336 37.134 38.487 -1.696 0.000 1.003 356 N HN 0.540 nan 8.380 nan 0.000 0.424 357 Y N 1.850 121.945 120.300 -0.341 0.000 2.242 357 Y HA -0.071 4.479 4.550 -0.001 0.000 0.291 357 Y C 2.352 177.750 175.900 -0.838 0.000 1.137 357 Y CA 0.997 58.790 58.100 -0.512 0.000 1.181 357 Y CB -0.017 38.245 38.460 -0.330 0.000 0.989 357 Y HN 0.135 nan 8.280 nan 0.000 0.527 358 E N -0.250 119.805 120.200 -0.242 0.000 2.110 358 E HA -0.219 4.130 4.350 -0.001 0.000 0.193 358 E C 2.197 178.738 176.600 -0.099 0.000 0.988 358 E CA 0.983 57.315 56.400 -0.114 0.000 0.804 358 E CB -0.114 29.648 29.700 0.103 0.000 0.745 358 E HN 0.451 nan 8.360 nan 0.000 0.458 359 R N 0.337 120.760 120.500 -0.129 0.000 2.096 359 R HA -0.110 4.229 4.340 -0.001 0.000 0.235 359 R C 2.429 178.695 176.300 -0.056 0.000 1.127 359 R CA 0.926 56.980 56.100 -0.076 0.000 0.968 359 R CB -0.269 29.965 30.300 -0.110 0.000 0.861 359 R HN 0.165 nan 8.270 nan 0.000 0.440 360 L N -0.499 120.623 121.223 -0.168 0.000 2.056 360 L HA -0.140 4.199 4.340 -0.001 0.000 0.207 360 L C 2.189 179.109 176.870 0.083 0.000 1.078 360 L CA 1.456 56.239 54.840 -0.096 0.000 0.749 360 L CB -0.403 41.521 42.059 -0.225 0.000 0.901 360 L HN 0.160 nan 8.230 nan 0.000 0.433 361 F N -0.080 119.888 119.950 0.030 0.000 2.134 361 F HA -0.240 4.286 4.527 -0.001 0.000 0.299 361 F C 2.707 178.515 175.800 0.013 0.000 1.097 361 F CA 1.005 59.007 58.000 0.004 0.000 1.264 361 F CB -0.228 38.730 39.000 -0.070 0.000 1.001 361 F HN 0.158 nan 8.300 nan 0.000 0.479 362 E N 0.031 120.363 120.200 0.220 0.000 2.085 362 E HA -0.314 4.036 4.350 -0.001 0.000 0.194 362 E C 1.978 178.671 176.600 0.155 0.000 0.994 362 E CA 1.592 58.083 56.400 0.151 0.000 0.801 362 E CB -0.177 29.592 29.700 0.116 0.000 0.743 362 E HN 0.480 nan 8.360 nan 0.000 0.453 363 H N 0.365 119.483 119.070 0.080 0.000 2.276 363 H HA -0.063 4.492 4.556 -0.001 0.000 0.301 363 H C 2.053 177.464 175.328 0.138 0.000 1.073 363 H CA 2.253 58.360 56.048 0.099 0.000 1.311 363 H CB -0.269 29.547 29.762 0.090 0.000 1.379 363 H HN 0.151 nan 8.280 nan 0.000 0.494 364 I N 0.536 121.165 120.570 0.097 0.000 2.151 364 I HA -0.314 3.855 4.170 -0.001 0.000 0.243 364 I C 1.570 177.702 176.117 0.024 0.000 1.080 364 I CA 1.523 62.827 61.300 0.006 0.000 1.339 364 I CB -0.356 37.604 38.000 -0.067 0.000 1.039 364 I HN 0.377 nan 8.210 nan 0.000 0.409 365 N N 0.293 119.008 118.700 0.024 0.000 2.512 365 N HA -0.095 4.644 4.740 -0.001 0.000 0.183 365 N C 1.754 177.251 175.510 -0.022 0.000 1.073 365 N CA 1.353 54.395 53.050 -0.015 0.000 0.911 365 N CB -0.194 38.276 38.487 -0.028 0.000 0.964 365 N HN 0.421 nan 8.380 nan 0.000 0.447 366 S N -1.147 114.538 115.700 -0.026 0.000 2.524 366 S HA 0.156 4.626 4.470 -0.001 0.000 0.215 366 S C 0.523 175.086 174.600 -0.062 0.000 0.986 366 S CA -0.260 57.921 58.200 -0.032 0.000 0.911 366 S CB 0.327 63.523 63.200 -0.007 0.000 0.805 366 S HN -0.067 nan 8.310 nan 0.000 0.501 367 Q N 1.525 121.261 119.800 -0.107 0.000 2.503 367 Q HA 0.542 4.881 4.340 -0.001 0.000 0.227 367 Q C 1.037 176.930 176.000 -0.177 0.000 1.109 367 Q CA 0.106 55.812 55.803 -0.162 0.000 0.922 367 Q CB 1.008 29.541 28.738 -0.342 0.000 1.249 367 Q HN 0.469 nan 8.270 nan 0.000 0.530 368 A N 2.502 125.276 122.820 -0.076 0.000 1.958 368 A HA -0.283 4.036 4.320 -0.001 0.000 0.221 368 A C 1.629 179.173 177.584 -0.065 0.000 1.178 368 A CA 2.261 54.267 52.037 -0.051 0.000 0.642 368 A CB -0.778 18.214 19.000 -0.013 0.000 0.816 368 A HN 0.898 nan 8.150 nan 0.000 0.453 369 H N -3.421 115.577 119.070 -0.122 0.000 2.489 369 H HA -0.051 4.504 4.556 -0.001 0.000 0.295 369 H C 1.537 176.810 175.328 -0.093 0.000 1.082 369 H CA 1.604 57.566 56.048 -0.143 0.000 1.295 369 H CB -0.663 28.952 29.762 -0.246 0.000 1.380 369 H HN 0.523 nan 8.280 nan 0.000 0.548 370 F N 0.731 120.409 119.950 -0.454 0.000 2.416 370 F HA 0.004 4.530 4.527 -0.001 0.000 0.296 370 F C 0.677 176.425 175.800 -0.086 0.000 1.099 370 F CA 0.143 57.993 58.000 -0.250 0.000 1.427 370 F CB 0.099 38.911 39.000 -0.313 0.000 1.079 370 F HN 0.123 nan 8.300 nan 0.000 0.536 371 N N 0.959 119.711 118.700 0.088 0.000 2.725 371 N HA -0.166 4.573 4.740 -0.001 0.000 0.251 371 N C -1.154 174.348 175.510 -0.012 0.000 1.031 371 N CA 0.387 53.471 53.050 0.056 0.000 0.720 371 N CB -1.464 37.103 38.487 0.134 0.000 0.930 371 N HN 0.022 nan 8.380 nan 0.000 0.543 372 V N 0.610 120.505 119.914 -0.031 0.000 2.735 372 V HA 0.412 4.531 4.120 -0.001 0.000 0.310 372 V C 0.121 176.129 176.094 -0.144 0.000 1.061 372 V CA -0.682 61.544 62.300 -0.123 0.000 0.913 372 V CB 2.466 34.248 31.823 -0.067 0.000 1.005 372 V HN 0.193 nan 8.190 nan 0.000 0.428 373 Q N 3.112 122.768 119.800 -0.241 0.000 2.339 373 Q HA 0.756 5.095 4.340 -0.001 0.000 0.268 373 Q C -0.819 174.917 176.000 -0.441 0.000 1.027 373 Q CA -0.136 55.502 55.803 -0.276 0.000 0.759 373 Q CB 1.605 30.183 28.738 -0.266 0.000 1.244 373 Q HN 1.001 nan 8.270 nan 0.000 0.464 374 A N 4.248 126.791 122.820 -0.463 0.000 2.340 374 A HA 0.926 5.245 4.320 -0.001 0.000 0.331 374 A C -1.127 175.737 177.584 -1.201 0.000 1.140 374 A CA -0.458 51.119 52.037 -0.767 0.000 0.801 374 A CB 1.179 19.903 19.000 -0.460 0.000 1.234 374 A HN 0.791 nan 8.150 nan 0.000 0.469 375 Q N 1.065 120.053 119.800 -1.355 0.000 2.633 375 Q HA 0.389 4.728 4.340 -0.001 0.000 0.289 375 Q C -1.608 173.950 176.000 -0.736 0.000 0.940 375 Q CA -0.615 54.441 55.803 -1.246 0.000 0.785 375 Q CB 0.591 28.979 28.738 -0.583 0.000 1.467 375 Q HN 0.482 nan 8.270 nan 0.000 0.401 376 F N 0.218 120.075 119.950 -0.154 0.000 2.459 376 F HA 0.641 5.168 4.527 -0.001 0.000 0.346 376 F C 1.249 177.092 175.800 0.072 0.000 1.128 376 F CA 1.125 59.159 58.000 0.056 0.000 1.268 376 F CB 1.310 40.397 39.000 0.146 0.000 1.161 376 F HN 0.763 nan 8.300 nan 0.000 0.583 377 G N 0.408 109.395 108.800 0.311 0.000 2.645 377 G HA2 0.555 4.514 3.960 -0.001 0.000 0.292 377 G HA3 0.555 4.514 3.960 -0.001 0.000 0.292 377 G C -1.247 173.664 174.900 0.018 0.000 1.415 377 G CA -0.746 44.482 45.100 0.214 0.000 0.785 377 G HN 0.662 nan 8.290 nan 0.000 0.483 378 T N -1.779 112.706 114.554 -0.115 0.000 2.937 378 T HA 0.483 4.832 4.350 -0.001 0.000 0.283 378 T C 1.316 175.863 174.700 -0.255 0.000 1.012 378 T CA -0.427 61.564 62.100 -0.182 0.000 0.997 378 T CB 1.554 70.325 68.868 -0.162 0.000 1.136 378 T HN 0.635 nan 8.240 nan 0.000 0.551 379 L N 0.512 121.577 121.223 -0.262 0.000 2.046 379 L HA 0.013 4.353 4.340 -0.001 0.000 0.208 379 L C 2.751 179.562 176.870 -0.098 0.000 1.077 379 L CA 1.975 56.682 54.840 -0.222 0.000 0.747 379 L CB -1.099 40.855 42.059 -0.176 0.000 0.896 379 L HN 0.884 nan 8.230 nan 0.000 0.432 380 Q N -0.041 119.731 119.800 -0.046 0.000 2.124 380 Q HA -0.221 4.118 4.340 -0.001 0.000 0.202 380 Q C 2.080 178.004 176.000 -0.128 0.000 0.977 380 Q CA 1.953 57.764 55.803 0.012 0.000 0.850 380 Q CB -0.175 28.547 28.738 -0.026 0.000 0.901 380 Q HN 0.636 nan 8.270 nan 0.000 0.429 381 E N -1.201 118.833 120.200 -0.276 0.000 2.077 381 E HA -0.225 4.124 4.350 -0.001 0.000 0.193 381 E C 1.684 177.822 176.600 -0.770 0.000 0.989 381 E CA 1.193 57.300 56.400 -0.487 0.000 0.800 381 E CB -0.308 29.023 29.700 -0.615 0.000 0.746 381 E HN 0.467 nan 8.360 nan 0.000 0.452 382 Y N 0.556 120.311 120.300 -0.908 0.000 2.097 382 Y HA -0.259 4.290 4.550 -0.001 0.000 0.282 382 Y C 1.846 177.418 175.900 -0.547 0.000 1.152 382 Y CA 1.681 59.264 58.100 -0.861 0.000 1.136 382 Y CB -0.634 37.348 38.460 -0.796 0.000 0.975 382 Y HN -0.029 nan 8.280 nan 0.000 0.498 383 F N 0.497 120.146 119.950 -0.502 0.000 2.171 383 F HA -0.224 4.302 4.527 -0.001 0.000 0.300 383 F C 2.214 177.756 175.800 -0.431 0.000 1.090 383 F CA 1.241 58.927 58.000 -0.524 0.000 1.293 383 F CB -0.304 38.593 39.000 -0.171 0.000 1.013 383 F HN 0.081 nan 8.300 nan 0.000 0.486 384 D N 0.333 120.660 120.400 -0.122 0.000 2.117 384 D HA -0.169 4.470 4.640 -0.001 0.000 0.197 384 D C 2.280 178.490 176.300 -0.151 0.000 0.987 384 D CA 1.419 55.364 54.000 -0.091 0.000 0.829 384 D CB -0.529 40.210 40.800 -0.101 0.000 0.961 384 D HN 0.254 nan 8.370 nan 0.000 0.460 385 A N 0.458 123.124 122.820 -0.256 0.000 1.898 385 A HA -0.095 4.224 4.320 -0.001 0.000 0.216 385 A C 2.525 179.973 177.584 -0.227 0.000 1.181 385 A CA 0.935 52.867 52.037 -0.176 0.000 0.620 385 A CB -0.678 18.277 19.000 -0.074 0.000 0.819 385 A HN 0.129 nan 8.150 nan 0.000 0.442 386 V N 0.028 119.665 119.914 -0.461 0.000 2.287 386 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 386 V C 2.425 178.319 176.094 -0.332 0.000 1.053 386 V CA 2.182 64.207 62.300 -0.457 0.000 1.027 386 V CB -1.031 30.322 31.823 -0.783 0.000 0.646 386 V HN 0.656 nan 8.190 nan 0.000 0.447 387 H N -0.307 118.633 119.070 -0.217 0.000 2.462 387 H HA -0.079 4.476 4.556 -0.001 0.000 0.292 387 H C 2.403 177.690 175.328 -0.067 0.000 1.049 387 H CA 1.328 57.286 56.048 -0.150 0.000 1.334 387 H CB -0.058 29.578 29.762 -0.211 0.000 1.404 387 H HN 0.567 nan 8.280 nan 0.000 0.544 388 Q N 0.214 120.025 119.800 0.019 0.000 2.119 388 Q HA -0.033 4.306 4.340 -0.001 0.000 0.201 388 Q C 2.551 178.567 176.000 0.027 0.000 0.972 388 Q CA 1.164 56.977 55.803 0.017 0.000 0.847 388 Q CB 0.042 28.778 28.738 -0.004 0.000 0.903 388 Q HN 0.394 nan 8.270 nan 0.000 0.433 389 A N 1.151 123.981 122.820 0.018 0.000 1.898 389 A HA -0.253 4.066 4.320 -0.001 0.000 0.216 389 A C 1.947 179.563 177.584 0.054 0.000 1.181 389 A CA 1.563 53.625 52.037 0.043 0.000 0.620 389 A CB -0.531 18.499 19.000 0.049 0.000 0.819 389 A HN 0.441 nan 8.150 nan 0.000 0.442 390 E N -0.128 120.121 120.200 0.081 0.000 2.058 390 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 390 E C 2.212 178.855 176.600 0.070 0.000 0.997 390 E CA 1.255 57.715 56.400 0.100 0.000 0.801 390 E CB -0.159 29.710 29.700 0.283 0.000 0.746 390 E HN 0.577 nan 8.360 nan 0.000 0.450 391 R N -0.274 120.269 120.500 0.072 0.000 2.152 391 R HA -0.044 4.295 4.340 -0.001 0.000 0.232 391 R C 2.067 178.386 176.300 0.032 0.000 1.117 391 R CA 0.834 56.962 56.100 0.047 0.000 0.981 391 R CB -0.143 30.179 30.300 0.036 0.000 0.870 391 R HN 0.139 nan 8.270 nan 0.000 0.451 392 A N 0.297 123.138 122.820 0.034 0.000 2.252 392 A HA 0.181 4.501 4.320 -0.001 0.000 0.207 392 A C 1.294 178.893 177.584 0.024 0.000 1.194 392 A CA 0.731 52.786 52.037 0.030 0.000 0.809 392 A CB -0.231 18.793 19.000 0.040 0.000 0.814 392 A HN 0.443 nan 8.150 nan 0.000 0.482 393 G N -1.051 107.760 108.800 0.018 0.000 2.147 393 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.244 393 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.244 393 G C 0.719 175.616 174.900 -0.006 0.000 1.005 393 G CA 0.616 45.718 45.100 0.003 0.000 0.713 393 G HN 0.559 nan 8.290 nan 0.000 0.515 394 Q N -0.730 119.073 119.800 0.004 0.000 2.331 394 Q HA 0.508 4.848 4.340 -0.001 0.000 0.203 394 Q C 1.104 177.083 176.000 -0.035 0.000 0.944 394 Q CA 1.358 57.168 55.803 0.012 0.000 0.892 394 Q CB 0.070 28.849 28.738 0.068 0.000 0.983 394 Q HN 1.316 nan 8.270 nan 0.000 0.482 395 A N 0.728 123.483 122.820 -0.109 0.000 2.608 395 A HA 0.460 4.780 4.320 -0.001 0.000 0.292 395 A C -1.679 175.680 177.584 -0.374 0.000 1.066 395 A CA -0.896 50.988 52.037 -0.255 0.000 0.676 395 A CB 1.192 19.978 19.000 -0.357 0.000 1.277 395 A HN 0.249 nan 8.150 nan 0.000 0.413 396 E N 0.612 120.572 120.200 -0.399 0.000 2.266 396 E HA 0.742 5.091 4.350 -0.001 0.000 0.268 396 E C -1.605 174.783 176.600 -0.353 0.000 0.879 396 E CA -0.575 55.665 56.400 -0.267 0.000 0.762 396 E CB 1.863 31.513 29.700 -0.083 0.000 1.199 396 E HN 0.379 nan 8.360 nan 0.000 0.422 397 F N 1.921 121.977 119.950 0.177 0.000 2.458 397 F HA 0.423 4.950 4.527 -0.000 0.000 0.330 397 F C -1.748 174.151 175.800 0.165 0.000 1.082 397 F CA -2.121 56.004 58.000 0.208 0.000 0.995 397 F CB 1.371 40.569 39.000 0.330 0.000 1.170 397 F HN 0.362 nan 8.300 nan 0.000 0.478 398 P HA 0.169 nan 4.420 nan 0.000 0.274 398 P C -0.747 176.694 177.300 0.235 0.000 1.237 398 P CA -0.377 62.854 63.100 0.219 0.000 0.793 398 P CB 1.049 32.848 31.700 0.166 0.000 0.977 399 T N -0.805 113.840 114.554 0.150 0.000 2.929 399 T HA 0.706 5.055 4.350 -0.001 0.000 0.284 399 T C -0.295 174.439 174.700 0.055 0.000 1.014 399 T CA -0.819 61.363 62.100 0.136 0.000 1.051 399 T CB 1.164 70.088 68.868 0.094 0.000 1.028 399 T HN 0.493 nan 8.240 nan 0.000 0.485 400 L N 1.461 122.712 121.223 0.047 0.000 2.506 400 L HA 0.717 5.057 4.340 -0.001 0.000 0.257 400 L C -0.912 175.941 176.870 -0.029 0.000 0.964 400 L CA -0.433 54.326 54.840 -0.135 0.000 0.836 400 L CB 2.177 43.911 42.059 -0.543 0.000 1.384 400 L HN 1.125 nan 8.230 nan 0.000 0.410 401 S N 2.313 117.954 115.700 -0.099 0.000 2.595 401 S HA 1.060 5.529 4.470 -0.001 0.000 0.281 401 S C -0.369 174.162 174.600 -0.116 0.000 1.117 401 S CA -0.021 58.186 58.200 0.012 0.000 0.873 401 S CB 2.051 65.217 63.200 -0.057 0.000 1.108 401 S HN 1.752 nan 8.310 nan 0.000 0.477 402 G N 1.056 109.846 108.800 -0.017 0.000 2.331 402 G HA2 0.332 4.291 3.960 -0.001 0.000 0.402 402 G HA3 0.332 4.291 3.960 -0.001 0.000 0.402 402 G C -1.829 172.970 174.900 -0.168 0.000 1.275 402 G CA -0.010 44.975 45.100 -0.191 0.000 1.003 402 G HN 1.293 nan 8.290 nan 0.000 0.500 403 D N -1.666 118.493 120.400 -0.402 0.000 2.687 403 D HA 0.744 5.383 4.640 -0.001 0.000 0.264 403 D C -0.635 175.129 176.300 -0.893 0.000 1.091 403 D CA -1.080 52.695 54.000 -0.374 0.000 1.123 403 D CB 1.110 41.878 40.800 -0.054 0.000 1.407 403 D HN 0.426 nan 8.370 nan 0.000 0.591 404 F N -0.422 119.385 119.950 -0.239 0.000 2.679 404 F HA 0.415 4.941 4.527 -0.001 0.000 0.354 404 F C -0.819 174.803 175.800 -0.296 0.000 1.423 404 F CA -0.659 57.204 58.000 -0.227 0.000 1.141 404 F CB 0.274 39.174 39.000 -0.168 0.000 1.168 404 F HN -0.000 nan 8.300 nan 0.000 0.530 405 F N -0.678 119.448 119.950 0.293 0.000 2.546 405 F HA 0.527 5.053 4.527 -0.001 0.000 0.320 405 F C 0.473 176.530 175.800 0.427 0.000 1.076 405 F CA -1.148 57.095 58.000 0.405 0.000 0.928 405 F CB 1.990 41.218 39.000 0.380 0.000 1.189 405 F HN -0.268 nan 8.300 nan 0.000 0.465 406 T N 1.781 116.724 114.554 0.648 0.000 2.799 406 T HA 0.154 4.504 4.350 -0.001 0.000 0.286 406 T C -0.944 174.231 174.700 0.790 0.000 0.973 406 T CA -0.284 62.267 62.100 0.751 0.000 1.035 406 T CB 0.304 69.483 68.868 0.517 0.000 0.932 406 T HN 0.377 nan 8.240 nan 0.000 0.469 407 Y N 2.972 123.607 120.300 0.557 0.000 2.497 407 Y HA 0.414 4.964 4.550 -0.001 0.000 0.334 407 Y C -0.164 175.781 175.900 0.076 0.000 1.199 407 Y CA -0.946 57.310 58.100 0.260 0.000 1.425 407 Y CB 0.181 38.681 38.460 0.067 0.000 1.291 407 Y HN 0.678 nan 8.280 nan 0.000 0.562 408 A N 5.153 127.525 122.820 -0.747 0.000 2.381 408 A HA 0.348 4.667 4.320 -0.001 0.000 0.299 408 A C -0.195 176.775 177.584 -1.024 0.000 1.049 408 A CA -0.267 51.185 52.037 -0.975 0.000 0.715 408 A CB 0.692 18.828 19.000 -1.440 0.000 1.222 408 A HN 0.806 nan 8.150 nan 0.000 0.428 409 D N 1.632 121.568 120.400 -0.774 0.000 2.346 409 D HA 0.065 4.704 4.640 -0.001 0.000 0.206 409 D C 0.518 176.840 176.300 0.038 0.000 1.001 409 D CA 0.517 54.318 54.000 -0.333 0.000 0.871 409 D CB 0.167 40.887 40.800 -0.133 0.000 0.943 409 D HN 0.743 nan 8.370 nan 0.000 0.518 410 R N -1.248 119.216 120.500 -0.060 0.000 2.739 410 R HA 0.322 4.661 4.340 -0.001 0.000 0.266 410 R C 0.132 176.337 176.300 -0.158 0.000 1.044 410 R CA -0.075 55.839 56.100 -0.310 0.000 0.885 410 R CB 0.514 30.702 30.300 -0.187 0.000 1.260 410 R HN -0.008 nan 8.270 nan 0.000 0.477 411 S N 1.102 116.656 115.700 -0.243 0.000 4.106 411 S HA -0.374 4.095 4.470 -0.001 0.000 0.541 411 S C 0.634 175.323 174.600 0.149 0.000 1.846 411 S CA 1.671 59.872 58.200 0.002 0.000 4.137 411 S CB -1.606 61.584 63.200 -0.018 0.000 0.892 411 S HN 1.077 nan 8.310 nan 0.000 0.535 412 D N 1.640 122.115 120.400 0.124 0.000 2.427 412 D HA 0.189 4.828 4.640 -0.001 0.000 0.224 412 D C -0.180 176.237 176.300 0.195 0.000 1.157 412 D CA -0.295 53.844 54.000 0.232 0.000 0.828 412 D CB -1.567 39.350 40.800 0.195 0.000 0.974 412 D HN 0.642 nan 8.370 nan 0.000 0.498 413 N N 0.933 119.655 118.700 0.037 0.000 2.807 413 N HA 0.057 4.796 4.740 -0.001 0.000 0.259 413 N C -0.932 174.617 175.510 0.065 0.000 1.149 413 N CA -0.324 52.751 53.050 0.042 0.000 1.042 413 N CB 0.161 38.654 38.487 0.010 0.000 1.367 413 N HN 0.131 nan 8.380 nan 0.000 0.516 414 Y N 0.221 120.614 120.300 0.155 0.000 2.304 414 Y HA 0.116 4.666 4.550 -0.001 0.000 0.328 414 Y C 0.090 176.202 175.900 0.353 0.000 1.123 414 Y CA -0.614 57.642 58.100 0.259 0.000 1.218 414 Y CB 0.607 39.166 38.460 0.164 0.000 1.207 414 Y HN 0.397 nan 8.280 nan 0.000 0.495 415 W N 2.485 123.926 121.300 0.235 0.000 1.603 415 W HA 0.241 4.900 4.660 -0.001 0.000 0.392 415 W C 0.750 177.320 176.519 0.084 0.000 0.661 415 W CA -0.628 56.885 57.345 0.280 0.000 2.021 415 W CB -0.418 29.323 29.460 0.468 0.000 1.759 415 W HN 0.540 nan 8.180 nan 0.000 0.334 416 S N -2.021 113.707 115.700 0.047 0.000 2.540 416 S HA 0.135 4.604 4.470 -0.001 0.000 0.218 416 S C 1.917 176.223 174.600 -0.490 0.000 0.977 416 S CA 0.305 58.136 58.200 -0.614 0.000 0.918 416 S CB 0.249 63.408 63.200 -0.068 0.000 0.806 416 S HN 0.349 nan 8.310 nan 0.000 0.496 417 G N 1.958 110.687 108.800 -0.117 0.000 2.408 417 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.217 417 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.217 417 G C 1.223 176.107 174.900 -0.027 0.000 1.150 417 G CA 0.795 45.840 45.100 -0.092 0.000 0.776 417 G HN 0.791 nan 8.290 nan 0.000 0.542 418 Y N -0.887 119.390 120.300 -0.038 0.000 2.632 418 Y HA 0.183 4.732 4.550 -0.001 0.000 0.301 418 Y C 1.843 177.878 175.900 0.225 0.000 1.172 418 Y CA -0.080 58.078 58.100 0.096 0.000 1.328 418 Y CB -0.524 38.077 38.460 0.236 0.000 1.016 418 Y HN 0.336 nan 8.280 nan 0.000 0.529 419 Y N 0.127 120.227 120.300 -0.333 0.000 2.571 419 Y HA -0.059 4.491 4.550 -0.001 0.000 0.294 419 Y C 1.391 177.242 175.900 -0.081 0.000 1.141 419 Y CA 0.524 58.443 58.100 -0.302 0.000 1.308 419 Y CB 0.260 38.581 38.460 -0.232 0.000 1.002 419 Y HN 0.261 nan 8.280 nan 0.000 0.551 420 T N -2.327 112.300 114.554 0.121 0.000 2.980 420 T HA 0.040 4.389 4.350 -0.001 0.000 0.252 420 T C 0.618 175.409 174.700 0.152 0.000 0.962 420 T CA -0.174 61.998 62.100 0.120 0.000 0.932 420 T CB 0.126 69.034 68.868 0.067 0.000 1.188 420 T HN -0.100 nan 8.240 nan 0.000 0.500 421 S N 2.531 118.318 115.700 0.145 0.000 2.573 421 S HA 0.157 4.626 4.470 -0.001 0.000 0.297 421 S C 0.415 175.153 174.600 0.231 0.000 1.280 421 S CA 0.071 58.368 58.200 0.162 0.000 1.061 421 S CB 0.047 63.327 63.200 0.134 0.000 0.812 421 S HN 0.408 nan 8.310 nan 0.000 0.500 422 R N 1.198 121.851 120.500 0.254 0.000 3.146 422 R HA -0.124 4.215 4.340 -0.001 0.000 0.250 422 R C -1.920 174.623 176.300 0.405 0.000 0.912 422 R CA 0.691 57.016 56.100 0.375 0.000 0.633 422 R CB -1.676 28.886 30.300 0.436 0.000 1.180 422 R HN 0.511 nan 8.270 nan 0.000 0.464 423 P HA -0.229 nan 4.420 nan 0.000 0.223 423 P C 1.102 178.600 177.300 0.329 0.000 1.151 423 P CA 1.025 64.335 63.100 0.350 0.000 0.787 423 P CB -0.018 31.933 31.700 0.419 0.000 0.788 424 Y N 1.505 121.876 120.300 0.119 0.000 2.165 424 Y HA -0.248 4.301 4.550 -0.001 0.000 0.286 424 Y C 2.287 178.146 175.900 -0.068 0.000 1.155 424 Y CA 2.053 60.143 58.100 -0.017 0.000 1.164 424 Y CB -0.963 37.358 38.460 -0.233 0.000 0.978 424 Y HN 0.061 nan 8.280 nan 0.000 0.513 425 H N -0.808 118.489 119.070 0.378 0.000 2.470 425 H HA 0.021 4.576 4.556 -0.001 0.000 0.289 425 H C 2.013 177.467 175.328 0.210 0.000 1.033 425 H CA 1.255 57.432 56.048 0.215 0.000 1.331 425 H CB -0.069 29.883 29.762 0.316 0.000 1.414 425 H HN 0.253 nan 8.280 nan 0.000 0.545 426 K N 0.376 120.978 120.400 0.336 0.000 2.097 426 K HA -0.145 4.175 4.320 -0.001 0.000 0.206 426 K C 2.224 178.874 176.600 0.082 0.000 1.049 426 K CA 1.189 57.624 56.287 0.247 0.000 0.933 426 K CB 0.082 32.707 32.500 0.208 0.000 0.717 426 K HN 0.043 nan 8.250 nan 0.000 0.442 427 R N 1.431 121.943 120.500 0.020 0.000 2.073 427 R HA 0.020 4.359 4.340 -0.001 0.000 0.229 427 R C 2.047 178.085 176.300 -0.437 0.000 1.120 427 R CA 1.333 57.376 56.100 -0.095 0.000 0.967 427 R CB -0.422 29.916 30.300 0.064 0.000 0.862 427 R HN 0.138 nan 8.270 nan 0.000 0.436 428 M N 0.365 119.562 119.600 -0.671 0.000 2.149 428 M HA -0.205 4.274 4.480 -0.001 0.000 0.261 428 M C 1.400 177.327 176.300 -0.621 0.000 1.064 428 M CA 2.424 57.063 55.300 -1.101 0.000 1.102 428 M CB -0.314 31.812 32.600 -0.791 0.000 1.369 428 M HN 0.287 nan 8.290 nan 0.000 0.408 429 D N -0.295 119.948 120.400 -0.262 0.000 2.123 429 D HA -0.211 4.428 4.640 -0.001 0.000 0.196 429 D C 1.889 178.102 176.300 -0.145 0.000 0.992 429 D CA 1.393 55.352 54.000 -0.070 0.000 0.833 429 D CB 0.124 41.041 40.800 0.194 0.000 0.954 429 D HN 0.208 nan 8.370 nan 0.000 0.455 430 R N 0.025 120.423 120.500 -0.170 0.000 2.115 430 R HA 0.004 4.343 4.340 -0.001 0.000 0.226 430 R C 2.407 178.597 176.300 -0.182 0.000 1.100 430 R CA 0.400 56.411 56.100 -0.147 0.000 0.980 430 R CB -0.946 29.287 30.300 -0.111 0.000 0.875 430 R HN 0.255 nan 8.270 nan 0.000 0.445 431 V N 1.425 121.132 119.914 -0.344 0.000 2.270 431 V HA -0.206 3.913 4.120 -0.001 0.000 0.245 431 V C 2.343 178.264 176.094 -0.289 0.000 1.043 431 V CA 1.477 63.556 62.300 -0.368 0.000 1.014 431 V CB -0.561 30.745 31.823 -0.862 0.000 0.645 431 V HN 0.136 nan 8.190 nan 0.000 0.447 432 L N -0.357 120.619 121.223 -0.411 0.000 2.131 432 L HA -0.146 4.193 4.340 -0.001 0.000 0.210 432 L C 2.290 179.090 176.870 -0.118 0.000 1.092 432 L CA 1.981 56.650 54.840 -0.285 0.000 0.759 432 L CB -0.663 41.221 42.059 -0.292 0.000 0.903 432 L HN 0.344 nan 8.230 nan 0.000 0.435 433 M N -1.372 118.158 119.600 -0.116 0.000 2.082 433 M HA -0.315 4.164 4.480 -0.001 0.000 0.258 433 M C 2.356 178.613 176.300 -0.072 0.000 1.069 433 M CA 2.369 57.604 55.300 -0.109 0.000 1.102 433 M CB -0.388 32.116 32.600 -0.159 0.000 1.336 433 M HN 0.544 nan 8.290 nan 0.000 0.404 434 H N -0.718 118.314 119.070 -0.063 0.000 2.363 434 H HA -0.142 4.414 4.556 -0.001 0.000 0.301 434 H C 1.449 176.823 175.328 0.076 0.000 1.074 434 H CA 2.249 58.293 56.048 -0.007 0.000 1.354 434 H CB -0.341 29.427 29.762 0.009 0.000 1.397 434 H HN 0.466 nan 8.280 nan 0.000 0.516 435 Y N -0.426 119.712 120.300 -0.270 0.000 2.224 435 Y HA -0.154 4.395 4.550 -0.001 0.000 0.289 435 Y C 2.716 178.485 175.900 -0.218 0.000 1.146 435 Y CA 1.242 59.193 58.100 -0.248 0.000 1.182 435 Y CB -0.533 37.846 38.460 -0.134 0.000 0.983 435 Y HN 0.119 nan 8.280 nan 0.000 0.524 436 V N 0.124 120.024 119.914 -0.024 0.000 2.307 436 V HA -0.296 3.824 4.120 -0.001 0.000 0.245 436 V C 2.515 178.547 176.094 -0.103 0.000 1.045 436 V CA 2.142 64.402 62.300 -0.066 0.000 1.024 436 V CB -0.583 31.194 31.823 -0.078 0.000 0.651 436 V HN 0.309 nan 8.190 nan 0.000 0.449 437 R N 0.508 120.925 120.500 -0.139 0.000 2.083 437 R HA -0.187 4.152 4.340 -0.001 0.000 0.237 437 R C 2.224 178.459 176.300 -0.108 0.000 1.137 437 R CA 1.937 57.965 56.100 -0.121 0.000 0.951 437 R CB -0.488 29.740 30.300 -0.119 0.000 0.851 437 R HN 0.458 nan 8.270 nan 0.000 0.434 438 A N 0.652 123.346 122.820 -0.210 0.000 1.930 438 A HA -0.029 4.290 4.320 -0.001 0.000 0.217 438 A C 2.377 179.913 177.584 -0.080 0.000 1.175 438 A CA 1.516 53.493 52.037 -0.100 0.000 0.627 438 A CB -0.711 18.155 19.000 -0.223 0.000 0.815 438 A HN 0.572 nan 8.150 nan 0.000 0.443 439 A N -0.114 122.646 122.820 -0.100 0.000 1.898 439 A HA -0.152 4.168 4.320 -0.001 0.000 0.216 439 A C 1.933 179.471 177.584 -0.077 0.000 1.181 439 A CA 1.552 53.544 52.037 -0.075 0.000 0.620 439 A CB -0.484 18.480 19.000 -0.061 0.000 0.819 439 A HN 0.619 nan 8.150 nan 0.000 0.442 440 E N -1.010 119.142 120.200 -0.080 0.000 2.106 440 E HA -0.166 4.183 4.350 -0.001 0.000 0.192 440 E C 2.044 178.585 176.600 -0.098 0.000 0.984 440 E CA 1.233 57.579 56.400 -0.090 0.000 0.806 440 E CB -0.236 29.411 29.700 -0.088 0.000 0.750 440 E HN 0.752 nan 8.360 nan 0.000 0.458 441 M N 0.727 120.292 119.600 -0.058 0.000 2.123 441 M HA -0.128 4.351 4.480 -0.001 0.000 0.263 441 M C 2.135 178.436 176.300 0.001 0.000 1.069 441 M CA 1.294 56.563 55.300 -0.052 0.000 1.133 441 M CB 0.063 32.728 32.600 0.109 0.000 1.356 441 M HN 0.074 nan 8.290 nan 0.000 0.415 442 L N 0.122 121.395 121.223 0.084 0.000 2.079 442 L HA -0.195 4.144 4.340 -0.001 0.000 0.210 442 L C 2.614 179.641 176.870 0.262 0.000 1.081 442 L CA 1.713 56.662 54.840 0.181 0.000 0.752 442 L CB -0.551 41.467 42.059 -0.069 0.000 0.896 442 L HN 0.514 nan 8.230 nan 0.000 0.433 443 S N -0.997 114.776 115.700 0.122 0.000 2.527 443 S HA 0.071 4.540 4.470 -0.001 0.000 0.222 443 S C 1.955 176.724 174.600 0.281 0.000 0.985 443 S CA 0.381 58.724 58.200 0.239 0.000 0.921 443 S CB 0.018 63.162 63.200 -0.092 0.000 0.772 443 S HN 0.293 nan 8.310 nan 0.000 0.529 444 A N 0.776 123.585 122.820 -0.019 0.000 2.067 444 A HA 0.117 4.437 4.320 -0.001 0.000 0.219 444 A C 1.666 179.127 177.584 -0.205 0.000 1.158 444 A CA 0.641 52.567 52.037 -0.185 0.000 0.661 444 A CB -1.119 17.622 19.000 -0.432 0.000 0.801 444 A HN 0.755 nan 8.150 nan 0.000 0.452 445 W N -0.619 120.695 121.300 0.023 0.000 2.392 445 W HA -0.011 4.648 4.660 -0.001 0.000 0.279 445 W C 0.951 177.282 176.519 -0.314 0.000 1.225 445 W CA 1.009 58.270 57.345 -0.140 0.000 1.233 445 W CB -0.151 29.173 29.460 -0.227 0.000 1.122 445 W HN 0.392 nan 8.180 nan 0.000 0.561 446 H N -2.302 116.827 119.070 0.097 0.000 2.771 446 H HA 0.381 4.936 4.556 -0.001 0.000 0.367 446 H C -0.435 174.796 175.328 -0.161 0.000 1.172 446 H CA -0.922 55.028 56.048 -0.163 0.000 1.186 446 H CB 1.730 31.151 29.762 -0.568 0.000 1.790 446 H HN -0.438 nan 8.280 nan 0.000 0.556 447 S N 0.792 116.452 115.700 -0.067 0.000 2.525 447 S HA 0.313 4.783 4.470 -0.001 0.000 0.278 447 S C -1.387 173.115 174.600 -0.163 0.000 1.234 447 S CA -0.677 57.510 58.200 -0.021 0.000 1.058 447 S CB 0.193 63.386 63.200 -0.011 0.000 0.983 447 S HN 0.398 nan 8.310 nan 0.000 0.495 448 W N 2.450 123.749 121.300 -0.002 0.000 2.666 448 W HA 0.365 5.025 4.660 -0.001 0.000 0.334 448 W C 0.224 176.698 176.519 -0.076 0.000 1.051 448 W CA -0.797 56.519 57.345 -0.048 0.000 1.224 448 W CB 0.626 30.024 29.460 -0.104 0.000 1.405 448 W HN 0.589 nan 8.180 nan 0.000 0.513 449 D N 1.133 121.608 120.400 0.124 0.000 2.443 449 D HA -0.017 4.622 4.640 -0.001 0.000 0.239 449 D C 1.433 177.733 176.300 -0.001 0.000 1.136 449 D CA 0.881 54.918 54.000 0.062 0.000 0.879 449 D CB 1.606 42.465 40.800 0.099 0.000 1.195 449 D HN 0.696 nan 8.370 nan 0.000 0.443 450 G N 3.373 112.181 108.800 0.014 0.000 2.462 450 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.220 450 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.220 450 G C 1.609 176.483 174.900 -0.043 0.000 1.121 450 G CA 0.452 45.547 45.100 -0.008 0.000 0.758 450 G HN 0.572 nan 8.290 nan 0.000 0.559 451 M N 0.724 120.309 119.600 -0.024 0.000 2.446 451 M HA 0.025 4.504 4.480 -0.001 0.000 0.263 451 M C 2.785 178.997 176.300 -0.146 0.000 1.066 451 M CA 0.988 56.297 55.300 0.015 0.000 1.087 451 M CB -0.014 32.702 32.600 0.193 0.000 1.406 451 M HN 0.318 nan 8.290 nan 0.000 0.459 452 A N 0.042 122.528 122.820 -0.557 0.000 2.168 452 A HA -0.035 4.284 4.320 -0.001 0.000 0.215 452 A C 1.152 178.533 177.584 -0.338 0.000 1.152 452 A CA 0.447 51.941 52.037 -0.905 0.000 0.716 452 A CB -0.343 18.021 19.000 -1.059 0.000 0.794 452 A HN 0.564 nan 8.150 nan 0.000 0.465 453 R N -1.685 118.694 120.500 -0.202 0.000 3.641 453 R HA -0.181 4.159 4.340 -0.001 0.000 0.286 453 R C 0.640 176.839 176.300 -0.169 0.000 1.153 453 R CA 0.709 56.734 56.100 -0.124 0.000 0.775 453 R CB -2.036 28.226 30.300 -0.062 0.000 1.215 453 R HN 0.477 nan 8.270 nan 0.000 0.474 454 I N 0.428 120.847 120.570 -0.252 0.000 2.193 454 I HA -0.174 3.996 4.170 -0.001 0.000 0.240 454 I C 2.125 178.122 176.117 -0.199 0.000 1.084 454 I CA 1.609 62.711 61.300 -0.330 0.000 1.365 454 I CB -0.665 36.990 38.000 -0.575 0.000 1.064 454 I HN 0.197 nan 8.210 nan 0.000 0.410 455 E N 0.753 120.873 120.200 -0.134 0.000 2.118 455 E HA -0.241 4.109 4.350 -0.001 0.000 0.195 455 E C 2.083 178.640 176.600 -0.072 0.000 0.992 455 E CA 1.220 57.570 56.400 -0.084 0.000 0.804 455 E CB -0.229 29.444 29.700 -0.044 0.000 0.741 455 E HN 0.461 nan 8.360 nan 0.000 0.458 456 E N 0.335 120.495 120.200 -0.067 0.000 2.038 456 E HA -0.257 4.092 4.350 -0.001 0.000 0.195 456 E C 1.945 178.510 176.600 -0.058 0.000 1.000 456 E CA 1.111 57.482 56.400 -0.049 0.000 0.803 456 E CB 0.103 29.778 29.700 -0.041 0.000 0.750 456 E HN -0.031 nan 8.360 nan 0.000 0.448 457 R N 0.292 120.746 120.500 -0.077 0.000 2.075 457 R HA -0.010 4.329 4.340 -0.001 0.000 0.232 457 R C 2.385 178.639 176.300 -0.077 0.000 1.126 457 R CA 0.896 56.953 56.100 -0.072 0.000 0.963 457 R CB -0.531 29.720 30.300 -0.081 0.000 0.858 457 R HN 0.279 nan 8.270 nan 0.000 0.435 458 L N -0.047 121.119 121.223 -0.095 0.000 2.093 458 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 458 L C 2.365 179.180 176.870 -0.092 0.000 1.085 458 L CA 1.514 56.298 54.840 -0.094 0.000 0.755 458 L CB -0.433 41.563 42.059 -0.104 0.000 0.904 458 L HN 0.308 nan 8.230 nan 0.000 0.435 459 E N 0.198 120.348 120.200 -0.084 0.000 2.077 459 E HA -0.301 4.049 4.350 -0.001 0.000 0.193 459 E C 2.218 178.752 176.600 -0.109 0.000 0.989 459 E CA 1.314 57.658 56.400 -0.094 0.000 0.800 459 E CB -0.009 29.657 29.700 -0.058 0.000 0.746 459 E HN 0.431 nan 8.360 nan 0.000 0.452 460 Q N 0.093 119.848 119.800 -0.076 0.000 2.061 460 Q HA -0.220 4.120 4.340 -0.001 0.000 0.204 460 Q C 2.105 178.059 176.000 -0.076 0.000 0.984 460 Q CA 1.700 57.465 55.803 -0.063 0.000 0.846 460 Q CB -0.262 28.452 28.738 -0.039 0.000 0.902 460 Q HN 0.348 nan 8.270 nan 0.000 0.421 461 A N 1.196 123.972 122.820 -0.075 0.000 1.883 461 A HA -0.214 4.105 4.320 -0.001 0.000 0.217 461 A C 2.114 179.638 177.584 -0.099 0.000 1.186 461 A CA 1.634 53.627 52.037 -0.074 0.000 0.624 461 A CB -0.589 18.373 19.000 -0.062 0.000 0.822 461 A HN 0.407 nan 8.150 nan 0.000 0.444 462 R N -0.845 119.578 120.500 -0.129 0.000 2.081 462 R HA -0.109 4.230 4.340 -0.001 0.000 0.235 462 R C 2.464 178.617 176.300 -0.245 0.000 1.131 462 R CA 1.643 57.641 56.100 -0.169 0.000 0.960 462 R CB -0.306 29.882 30.300 -0.188 0.000 0.856 462 R HN 0.500 nan 8.270 nan 0.000 0.436 463 R N 0.295 120.617 120.500 -0.297 0.000 2.092 463 R HA -0.078 4.261 4.340 -0.001 0.000 0.231 463 R C 2.088 178.331 176.300 -0.096 0.000 1.119 463 R CA 0.975 56.838 56.100 -0.396 0.000 0.970 463 R CB 0.008 30.105 30.300 -0.338 0.000 0.864 463 R HN 0.203 nan 8.270 nan 0.000 0.440 464 E N 0.731 120.905 120.200 -0.044 0.000 2.107 464 E HA -0.151 4.199 4.350 -0.001 0.000 0.191 464 E C 1.971 178.601 176.600 0.051 0.000 0.982 464 E CA 0.686 57.104 56.400 0.030 0.000 0.809 464 E CB -0.225 29.480 29.700 0.009 0.000 0.756 464 E HN 0.149 nan 8.360 nan 0.000 0.459 465 L N 1.242 122.462 121.223 -0.004 0.000 2.083 465 L HA -0.080 4.260 4.340 -0.001 0.000 0.209 465 L C 2.137 179.051 176.870 0.073 0.000 1.083 465 L CA 1.569 56.424 54.840 0.026 0.000 0.752 465 L CB -0.551 41.487 42.059 -0.034 0.000 0.899 465 L HN -0.098 nan 8.230 nan 0.000 0.433 466 S N -0.473 115.236 115.700 0.015 0.000 2.368 466 S HA -0.163 4.306 4.470 -0.001 0.000 0.225 466 S C 1.828 176.568 174.600 0.233 0.000 1.030 466 S CA 1.485 59.724 58.200 0.066 0.000 0.999 466 S CB -0.545 62.587 63.200 -0.114 0.000 0.844 466 S HN 0.473 nan 8.310 nan 0.000 0.459 467 L N 0.704 122.108 121.223 0.301 0.000 2.079 467 L HA -0.008 4.331 4.340 -0.001 0.000 0.210 467 L C 1.857 178.828 176.870 0.168 0.000 1.081 467 L CA 1.628 56.640 54.840 0.286 0.000 0.752 467 L CB -0.623 41.576 42.059 0.233 0.000 0.896 467 L HN 0.278 nan 8.230 nan 0.000 0.433 468 F N -0.187 119.728 119.950 -0.060 0.000 2.451 468 F HA -0.132 4.394 4.527 -0.001 0.000 0.299 468 F C 2.202 177.916 175.800 -0.144 0.000 1.101 468 F CA 0.911 58.762 58.000 -0.250 0.000 1.436 468 F CB -0.255 38.636 39.000 -0.180 0.000 1.074 468 F HN 0.249 nan 8.300 nan 0.000 0.553 469 Q N -0.353 119.400 119.800 -0.078 0.000 2.437 469 Q HA -0.151 4.188 4.340 -0.001 0.000 0.210 469 Q C 0.570 176.505 176.000 -0.109 0.000 0.972 469 Q CA 0.503 56.241 55.803 -0.109 0.000 0.903 469 Q CB -1.346 27.402 28.738 0.017 0.000 0.967 469 Q HN 0.506 nan 8.270 nan 0.000 0.486 470 H N 1.895 120.847 119.070 -0.197 0.000 3.058 470 H HA -0.114 4.441 4.556 -0.001 0.000 0.347 470 H C 1.296 176.467 175.328 -0.261 0.000 1.087 470 H CA 0.739 56.670 56.048 -0.194 0.000 1.375 470 H CB 0.558 30.222 29.762 -0.164 0.000 1.312 470 H HN 0.242 nan 8.280 nan 0.000 0.607 471 H N 1.868 120.543 119.070 -0.659 0.000 2.563 471 H HA -0.005 4.551 4.556 -0.001 0.000 0.272 471 H C -0.303 174.599 175.328 -0.709 0.000 1.005 471 H CA 0.719 56.335 56.048 -0.720 0.000 1.171 471 H CB 0.292 29.626 29.762 -0.714 0.000 1.351 471 H HN 0.597 nan 8.280 nan 0.000 0.602 472 D N 0.291 119.965 120.400 -1.209 0.000 2.503 472 D HA 0.130 4.769 4.640 -0.001 0.000 0.218 472 D C 1.619 177.878 176.300 -0.067 0.000 1.183 472 D CA 0.294 54.121 54.000 -0.288 0.000 0.827 472 D CB 0.854 41.723 40.800 0.115 0.000 1.034 472 D HN 0.518 nan 8.370 nan 0.000 0.510 473 G N 1.257 109.804 108.800 -0.422 0.000 2.618 473 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.222 473 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.222 473 G C 1.352 175.669 174.900 -0.972 0.000 1.520 473 G CA -0.198 44.431 45.100 -0.785 0.000 0.930 473 G HN 0.205 nan 8.290 nan 0.000 0.547 474 I N 2.014 121.683 120.570 -1.501 0.000 2.530 474 I HA -0.190 3.979 4.170 -0.001 0.000 0.257 474 I C 2.882 178.902 176.117 -0.161 0.000 1.179 474 I CA 2.090 62.825 61.300 -0.943 0.000 1.440 474 I CB -0.063 37.561 38.000 -0.625 0.000 1.087 474 I HN 0.382 nan 8.210 nan 0.000 0.440 475 T N -1.632 112.875 114.554 -0.078 0.000 2.962 475 T HA 0.011 4.360 4.350 -0.001 0.000 0.270 475 T C 1.555 176.406 174.700 0.251 0.000 1.088 475 T CA 0.678 62.930 62.100 0.254 0.000 1.127 475 T CB -0.548 68.468 68.868 0.248 0.000 0.883 475 T HN 0.648 nan 8.240 nan 0.000 0.493 476 G N 1.377 110.279 108.800 0.169 0.000 2.176 476 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.252 476 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.252 476 G C 0.560 175.534 174.900 0.123 0.000 1.024 476 G CA 0.643 45.865 45.100 0.204 0.000 0.755 476 G HN 1.139 nan 8.290 nan 0.000 0.507 477 T N -3.320 111.297 114.554 0.106 0.000 3.174 477 T HA 0.734 5.083 4.350 -0.001 0.000 0.269 477 T C 0.932 175.824 174.700 0.319 0.000 1.017 477 T CA 1.062 63.153 62.100 -0.014 0.000 0.899 477 T CB 0.967 69.653 68.868 -0.303 0.000 1.077 477 T HN 1.564 nan 8.240 nan 0.000 0.552 478 A N 1.322 124.351 122.820 0.347 0.000 2.256 478 A HA 0.677 4.997 4.320 -0.001 0.000 0.318 478 A C 0.240 177.930 177.584 0.176 0.000 1.103 478 A CA -0.920 51.358 52.037 0.403 0.000 0.860 478 A CB 0.817 20.086 19.000 0.449 0.000 1.182 478 A HN 0.391 nan 8.150 nan 0.000 0.501 479 K N -0.279 120.153 120.400 0.053 0.000 2.276 479 K HA 0.155 4.474 4.320 -0.001 0.000 0.259 479 K C 1.106 177.715 176.600 0.014 0.000 1.001 479 K CA 0.331 56.626 56.287 0.014 0.000 0.927 479 K CB 0.353 32.850 32.500 -0.004 0.000 0.969 479 K HN 0.737 nan 8.250 nan 0.000 0.490 480 T N 1.258 115.850 114.554 0.064 0.000 2.665 480 T HA -0.204 4.146 4.350 -0.001 0.000 0.268 480 T C 1.666 176.398 174.700 0.053 0.000 1.035 480 T CA 1.832 63.972 62.100 0.068 0.000 1.151 480 T CB -0.422 68.495 68.868 0.082 0.000 0.862 480 T HN 0.688 nan 8.240 nan 0.000 0.438 481 H N 0.585 119.648 119.070 -0.012 0.000 2.521 481 H HA 0.102 4.657 4.556 -0.001 0.000 0.286 481 H C 1.976 177.274 175.328 -0.051 0.000 1.034 481 H CA 0.813 56.846 56.048 -0.026 0.000 1.278 481 H CB -0.720 29.023 29.762 -0.033 0.000 1.386 481 H HN 0.277 nan 8.280 nan 0.000 0.567 482 V N 1.038 120.592 119.914 -0.600 0.000 2.488 482 V HA -0.152 3.967 4.120 -0.001 0.000 0.246 482 V C 2.987 178.881 176.094 -0.333 0.000 1.046 482 V CA 1.019 62.992 62.300 -0.544 0.000 1.053 482 V CB -0.364 31.194 31.823 -0.442 0.000 0.679 482 V HN 0.230 nan 8.190 nan 0.000 0.458 483 V N -0.010 119.848 119.914 -0.093 0.000 2.343 483 V HA -0.225 3.894 4.120 -0.001 0.000 0.247 483 V C 2.460 178.527 176.094 -0.046 0.000 1.051 483 V CA 1.890 64.200 62.300 0.016 0.000 1.036 483 V CB -0.423 31.373 31.823 -0.045 0.000 0.654 483 V HN 0.412 nan 8.190 nan 0.000 0.451 484 V N 0.382 120.276 119.914 -0.033 0.000 2.343 484 V HA -0.298 3.822 4.120 -0.001 0.000 0.247 484 V C 2.310 178.414 176.094 0.017 0.000 1.051 484 V CA 2.433 64.746 62.300 0.021 0.000 1.036 484 V CB -0.668 31.180 31.823 0.042 0.000 0.654 484 V HN 0.646 nan 8.190 nan 0.000 0.451 485 D N -0.933 119.432 120.400 -0.058 0.000 2.097 485 D HA -0.206 4.433 4.640 -0.001 0.000 0.195 485 D C 2.006 178.319 176.300 0.022 0.000 0.989 485 D CA 1.687 55.653 54.000 -0.058 0.000 0.827 485 D CB -0.258 40.444 40.800 -0.162 0.000 0.966 485 D HN 0.599 nan 8.370 nan 0.000 0.456 486 Y N 0.403 120.735 120.300 0.054 0.000 2.224 486 Y HA -0.117 4.433 4.550 -0.001 0.000 0.289 486 Y C 2.575 178.439 175.900 -0.059 0.000 1.146 486 Y CA 1.062 59.189 58.100 0.045 0.000 1.182 486 Y CB -0.125 38.428 38.460 0.156 0.000 0.983 486 Y HN 0.082 nan 8.280 nan 0.000 0.524 487 E N 0.536 120.825 120.200 0.149 0.000 2.051 487 E HA -0.265 4.084 4.350 -0.001 0.000 0.192 487 E C 2.007 178.677 176.600 0.116 0.000 0.991 487 E CA 1.410 57.911 56.400 0.168 0.000 0.799 487 E CB -0.047 29.831 29.700 0.297 0.000 0.748 487 E HN 0.571 nan 8.360 nan 0.000 0.449 488 Q N -0.074 119.784 119.800 0.097 0.000 2.084 488 Q HA -0.168 4.171 4.340 -0.001 0.000 0.202 488 Q C 2.339 178.373 176.000 0.056 0.000 0.978 488 Q CA 1.336 57.182 55.803 0.072 0.000 0.844 488 Q CB -0.104 28.669 28.738 0.059 0.000 0.898 488 Q HN 0.191 nan 8.270 nan 0.000 0.426 489 R N 0.164 120.702 120.500 0.064 0.000 2.073 489 R HA -0.082 4.257 4.340 -0.001 0.000 0.234 489 R C 2.306 178.616 176.300 0.017 0.000 1.134 489 R CA 1.542 57.673 56.100 0.052 0.000 0.952 489 R CB -0.192 30.166 30.300 0.096 0.000 0.850 489 R HN 0.294 nan 8.270 nan 0.000 0.433 490 M N 0.010 119.604 119.600 -0.009 0.000 2.213 490 M HA -0.184 4.295 4.480 -0.001 0.000 0.263 490 M C 2.317 178.583 176.300 -0.056 0.000 1.062 490 M CA 1.397 56.651 55.300 -0.077 0.000 1.105 490 M CB -0.165 32.323 32.600 -0.186 0.000 1.385 490 M HN 0.067 nan 8.290 nan 0.000 0.417 491 Q N 0.915 120.718 119.800 0.004 0.000 2.079 491 Q HA -0.160 4.179 4.340 -0.001 0.000 0.200 491 Q C 1.738 177.742 176.000 0.007 0.000 0.974 491 Q CA 1.587 57.406 55.803 0.026 0.000 0.840 491 Q CB -0.057 28.722 28.738 0.068 0.000 0.898 491 Q HN 0.321 nan 8.270 nan 0.000 0.430 492 E N -0.140 120.065 120.200 0.008 0.000 2.106 492 E HA -0.110 4.240 4.350 -0.001 0.000 0.192 492 E C 1.813 178.406 176.600 -0.010 0.000 0.984 492 E CA 1.121 57.523 56.400 0.004 0.000 0.806 492 E CB -0.429 29.276 29.700 0.009 0.000 0.750 492 E HN 0.468 nan 8.360 nan 0.000 0.458 493 A N 1.054 123.858 122.820 -0.026 0.000 1.902 493 A HA -0.122 4.197 4.320 -0.001 0.000 0.217 493 A C 2.385 179.944 177.584 -0.043 0.000 1.181 493 A CA 0.995 53.008 52.037 -0.041 0.000 0.623 493 A CB -0.672 18.292 19.000 -0.060 0.000 0.818 493 A HN 0.185 nan 8.150 nan 0.000 0.443 494 L N -0.675 120.504 121.223 -0.074 0.000 2.046 494 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 494 L C 2.574 179.460 176.870 0.027 0.000 1.077 494 L CA 1.706 56.492 54.840 -0.090 0.000 0.747 494 L CB -0.393 41.542 42.059 -0.206 0.000 0.896 494 L HN 0.351 nan 8.230 nan 0.000 0.432 495 K N -0.088 120.322 120.400 0.018 0.000 2.097 495 K HA -0.131 4.188 4.320 -0.001 0.000 0.206 495 K C 2.248 178.867 176.600 0.032 0.000 1.049 495 K CA 1.272 57.580 56.287 0.035 0.000 0.933 495 K CB -0.258 32.254 32.500 0.020 0.000 0.717 495 K HN 0.287 nan 8.250 nan 0.000 0.442 496 A N 1.189 124.016 122.820 0.013 0.000 1.877 496 A HA -0.195 4.125 4.320 -0.001 0.000 0.216 496 A C 2.439 180.028 177.584 0.007 0.000 1.186 496 A CA 1.531 53.567 52.037 -0.002 0.000 0.620 496 A CB -1.044 17.943 19.000 -0.021 0.000 0.822 496 A HN 0.411 nan 8.150 nan 0.000 0.443 497 C N -0.980 118.341 119.300 0.036 0.000 2.413 497 C HA -0.146 4.313 4.460 -0.001 0.000 0.276 497 C C 2.880 177.921 174.990 0.084 0.000 1.248 497 C CA 1.335 60.390 59.018 0.062 0.000 1.742 497 C CB -1.320 26.512 27.740 0.154 0.000 2.017 497 C HN 0.790 nan 8.230 nan 0.000 0.481 498 Q N 0.174 120.053 119.800 0.131 0.000 2.061 498 Q HA -0.277 4.063 4.340 -0.001 0.000 0.204 498 Q C 2.173 178.241 176.000 0.114 0.000 0.984 498 Q CA 2.051 57.932 55.803 0.129 0.000 0.846 498 Q CB -0.272 28.548 28.738 0.136 0.000 0.902 498 Q HN 0.602 nan 8.270 nan 0.000 0.421 499 M N -0.138 119.503 119.600 0.069 0.000 2.080 499 M HA -0.141 4.339 4.480 -0.001 0.000 0.260 499 M C 1.835 178.156 176.300 0.036 0.000 1.068 499 M CA 1.585 56.918 55.300 0.055 0.000 1.109 499 M CB -0.463 32.149 32.600 0.020 0.000 1.342 499 M HN 0.129 nan 8.290 nan 0.000 0.405 500 V N 0.220 120.119 119.914 -0.026 0.000 2.358 500 V HA -0.293 3.826 4.120 -0.001 0.000 0.246 500 V C 2.432 178.492 176.094 -0.057 0.000 1.047 500 V CA 2.187 64.414 62.300 -0.122 0.000 1.035 500 V CB -0.703 31.025 31.823 -0.159 0.000 0.658 500 V HN 0.562 nan 8.190 nan 0.000 0.452 501 M N 0.265 119.885 119.600 0.034 0.000 2.086 501 M HA -0.262 4.217 4.480 -0.001 0.000 0.261 501 M C 2.398 178.779 176.300 0.134 0.000 1.067 501 M CA 2.419 57.782 55.300 0.105 0.000 1.116 501 M CB -0.501 32.236 32.600 0.227 0.000 1.348 501 M HN 0.537 nan 8.290 nan 0.000 0.407 502 Q N -0.162 119.797 119.800 0.265 0.000 2.119 502 Q HA -0.142 4.198 4.340 -0.001 0.000 0.201 502 Q C 1.816 178.004 176.000 0.314 0.000 0.972 502 Q CA 1.192 57.169 55.803 0.290 0.000 0.847 502 Q CB -0.616 28.391 28.738 0.448 0.000 0.903 502 Q HN 0.423 nan 8.270 nan 0.000 0.433 503 Q N 0.567 120.539 119.800 0.286 0.000 2.124 503 Q HA -0.060 4.279 4.340 -0.001 0.000 0.202 503 Q C 2.284 178.532 176.000 0.414 0.000 0.977 503 Q CA 1.674 57.718 55.803 0.403 0.000 0.850 503 Q CB -0.203 28.676 28.738 0.235 0.000 0.901 503 Q HN 0.510 nan 8.270 nan 0.000 0.429 504 S N 0.406 116.235 115.700 0.215 0.000 2.368 504 S HA -0.093 4.376 4.470 -0.001 0.000 0.225 504 S C 2.215 176.859 174.600 0.073 0.000 1.030 504 S CA 1.068 59.438 58.200 0.285 0.000 0.999 504 S CB -0.235 63.064 63.200 0.166 0.000 0.844 504 S HN 0.131 nan 8.310 nan 0.000 0.459 505 V N 0.805 120.637 119.914 -0.137 0.000 2.343 505 V HA -0.195 3.924 4.120 -0.001 0.000 0.247 505 V C 2.018 178.086 176.094 -0.044 0.000 1.051 505 V CA 1.883 63.972 62.300 -0.352 0.000 1.036 505 V CB -0.758 30.436 31.823 -1.049 0.000 0.654 505 V HN 0.556 nan 8.190 nan 0.000 0.451 506 Y N 1.198 121.548 120.300 0.083 0.000 2.181 506 Y HA -0.233 4.316 4.550 -0.001 0.000 0.288 506 Y C 2.718 178.680 175.900 0.104 0.000 1.146 506 Y CA 2.151 60.395 58.100 0.239 0.000 1.164 506 Y CB -0.334 38.193 38.460 0.111 0.000 0.982 506 Y HN 0.098 nan 8.280 nan 0.000 0.515 507 R N -0.218 120.168 120.500 -0.191 0.000 2.090 507 R HA -0.080 4.259 4.340 -0.001 0.000 0.228 507 R C 2.117 178.091 176.300 -0.544 0.000 1.110 507 R CA 1.462 57.090 56.100 -0.787 0.000 0.973 507 R CB -0.335 29.529 30.300 -0.726 0.000 0.869 507 R HN 0.438 nan 8.270 nan 0.000 0.440 508 L N 0.289 121.343 121.223 -0.281 0.000 2.291 508 L HA -0.050 4.290 4.340 -0.001 0.000 0.214 508 L C 1.372 178.115 176.870 -0.213 0.000 1.120 508 L CA 0.756 55.399 54.840 -0.328 0.000 0.799 508 L CB 0.149 41.845 42.059 -0.605 0.000 0.925 508 L HN 0.227 nan 8.230 nan 0.000 0.446 509 L N -1.315 119.875 121.223 -0.055 0.000 3.014 509 L HA 0.221 4.560 4.340 -0.001 0.000 0.263 509 L C -0.177 176.733 176.870 0.066 0.000 1.207 509 L CA -0.108 54.779 54.840 0.077 0.000 1.017 509 L CB 0.519 42.764 42.059 0.310 0.000 1.360 509 L HN -0.015 nan 8.230 nan 0.000 0.560 510 T N 0.135 114.658 114.554 -0.051 0.000 2.829 510 T HA 0.188 4.537 4.350 -0.001 0.000 0.280 510 T C -0.119 174.501 174.700 -0.133 0.000 0.999 510 T CA -0.558 61.499 62.100 -0.071 0.000 0.983 510 T CB 2.370 71.153 68.868 -0.142 0.000 0.968 510 T HN 0.015 nan 8.240 nan 0.000 0.446 511 K N 3.756 124.094 120.400 -0.104 0.000 2.504 511 K HA -0.014 4.305 4.320 -0.001 0.000 0.278 511 K C -1.722 174.846 176.600 -0.055 0.000 1.025 511 K CA -1.084 55.155 56.287 -0.081 0.000 1.093 511 K CB 0.440 32.900 32.500 -0.067 0.000 0.873 511 K HN 0.181 nan 8.250 nan 0.000 0.483 512 P HA -0.209 nan 4.420 nan 0.000 0.216 512 P C 0.796 178.112 177.300 0.027 0.000 1.153 512 P CA 1.549 64.628 63.100 -0.035 0.000 0.858 512 P CB 0.147 31.819 31.700 -0.047 0.000 0.789 513 S N -2.263 113.442 115.700 0.008 0.000 2.607 513 S HA 0.041 4.510 4.470 -0.001 0.000 0.224 513 S C 1.681 176.294 174.600 0.021 0.000 0.969 513 S CA 0.552 58.761 58.200 0.014 0.000 0.927 513 S CB -1.106 62.094 63.200 0.000 0.000 0.772 513 S HN 0.108 nan 8.310 nan 0.000 0.533 514 I N -0.814 119.777 120.570 0.034 0.000 3.616 514 I HA 0.204 4.374 4.170 -0.001 0.000 0.296 514 I C 0.551 176.716 176.117 0.080 0.000 1.226 514 I CA -0.393 60.933 61.300 0.044 0.000 1.394 514 I CB -0.023 37.999 38.000 0.036 0.000 1.171 514 I HN 0.250 nan 8.210 nan 0.000 0.442 515 Y N 2.812 123.063 120.300 -0.080 0.000 2.852 515 Y HA -0.070 4.480 4.550 -0.001 0.000 0.343 515 Y C 0.415 176.292 175.900 -0.039 0.000 1.280 515 Y CA 0.040 58.058 58.100 -0.138 0.000 1.604 515 Y CB 0.317 38.636 38.460 -0.233 0.000 1.216 515 Y HN -0.119 nan 8.280 nan 0.000 0.541 516 S N 8.938 124.433 115.700 -0.341 0.000 2.216 516 S HA 0.356 4.825 4.470 -0.001 0.000 0.156 516 S C -2.812 171.590 174.600 -0.330 0.000 1.665 516 S CA -1.211 56.795 58.200 -0.324 0.000 1.262 516 S CB -0.033 63.101 63.200 -0.110 0.000 1.207 516 S HN 0.667 nan 8.310 nan 0.000 0.427 517 P HA 0.323 nan 4.420 nan 0.000 0.279 517 P C -1.195 175.844 177.300 -0.434 0.000 1.239 517 P CA -0.183 62.684 63.100 -0.387 0.000 0.789 517 P CB 0.886 32.312 31.700 -0.456 0.000 0.933 518 D N 2.402 122.737 120.400 -0.108 0.000 2.441 518 D HA 0.147 4.787 4.640 -0.001 0.000 0.231 518 D C 0.294 176.605 176.300 0.018 0.000 1.073 518 D CA -0.710 53.202 54.000 -0.147 0.000 0.850 518 D CB 0.255 41.003 40.800 -0.086 0.000 1.062 518 D HN 0.040 nan 8.370 nan 0.000 0.524 519 F N 1.703 121.769 119.950 0.195 0.000 2.641 519 F HA -0.062 4.465 4.527 -0.001 0.000 0.298 519 F C 2.400 178.279 175.800 0.132 0.000 1.146 519 F CA 0.600 58.716 58.000 0.193 0.000 1.464 519 F CB -0.435 38.658 39.000 0.155 0.000 1.101 519 F HN 0.368 nan 8.300 nan 0.000 0.585 520 S N -1.933 113.909 115.700 0.237 0.000 2.524 520 S HA 0.124 4.593 4.470 -0.001 0.000 0.215 520 S C 0.342 174.988 174.600 0.077 0.000 0.986 520 S CA -0.426 57.857 58.200 0.138 0.000 0.911 520 S CB -0.635 62.625 63.200 0.099 0.000 0.805 520 S HN 0.084 nan 8.310 nan 0.000 0.501 521 F N 3.928 123.814 119.950 -0.108 0.000 2.375 521 F HA 0.562 5.088 4.527 -0.001 0.000 0.333 521 F C 0.423 175.998 175.800 -0.374 0.000 1.104 521 F CA -0.655 57.148 58.000 -0.329 0.000 1.149 521 F CB 1.506 40.140 39.000 -0.610 0.000 1.190 521 F HN 0.145 nan 8.300 nan 0.000 0.533 522 S N 5.190 120.128 115.700 -1.270 0.000 2.474 522 S HA 0.242 4.712 4.470 -0.001 0.000 0.320 522 S C 0.212 174.206 174.600 -1.010 0.000 1.067 522 S CA -0.500 57.225 58.200 -0.792 0.000 1.127 522 S CB -0.210 62.691 63.200 -0.498 0.000 0.971 522 S HN 0.691 nan 8.310 nan 0.000 0.472 523 Y N 3.149 123.218 120.300 -0.385 0.000 2.314 523 Y HA 0.250 4.800 4.550 -0.001 0.000 0.293 523 Y C 0.281 175.645 175.900 -0.893 0.000 1.129 523 Y CA 0.642 58.397 58.100 -0.574 0.000 1.201 523 Y CB 0.162 38.346 38.460 -0.460 0.000 0.999 523 Y HN 0.624 nan 8.280 nan 0.000 0.541 524 F N -1.885 118.023 119.950 -0.069 0.000 2.599 524 F HA 0.436 4.962 4.527 -0.001 0.000 0.311 524 F C -0.170 175.663 175.800 0.056 0.000 1.076 524 F CA -1.288 56.734 58.000 0.037 0.000 0.937 524 F CB 1.709 40.872 39.000 0.271 0.000 1.282 524 F HN -0.526 nan 8.300 nan 0.000 0.460 525 T N 3.228 117.945 114.554 0.272 0.000 2.797 525 T HA 0.543 4.892 4.350 -0.001 0.000 0.279 525 T C -0.237 174.574 174.700 0.186 0.000 0.991 525 T CA -0.558 61.638 62.100 0.160 0.000 0.979 525 T CB 0.884 69.798 68.868 0.077 0.000 0.943 525 T HN 0.315 nan 8.240 nan 0.000 0.444 526 L N 2.798 124.062 121.223 0.068 0.000 2.417 526 L HA 0.368 4.708 4.340 -0.001 0.000 0.268 526 L C 0.228 177.088 176.870 -0.018 0.000 1.158 526 L CA -0.231 54.547 54.840 -0.104 0.000 0.819 526 L CB 0.607 42.567 42.059 -0.165 0.000 1.112 526 L HN 0.644 nan 8.230 nan 0.000 0.458 527 D N 1.506 121.877 120.400 -0.049 0.000 2.481 527 D HA 0.209 4.848 4.640 -0.001 0.000 0.246 527 D C -1.281 174.950 176.300 -0.116 0.000 1.109 527 D CA -0.393 53.579 54.000 -0.047 0.000 0.845 527 D CB 1.121 41.926 40.800 0.009 0.000 1.160 527 D HN 0.288 nan 8.370 nan 0.000 0.534 528 D N 2.107 122.462 120.400 -0.075 0.000 2.471 528 D HA 0.095 4.734 4.640 -0.001 0.000 0.245 528 D C 0.612 176.861 176.300 -0.084 0.000 1.116 528 D CA -0.383 53.596 54.000 -0.034 0.000 0.853 528 D CB 1.721 42.605 40.800 0.140 0.000 1.123 528 D HN 0.296 nan 8.370 nan 0.000 0.540 529 S N 3.529 119.151 115.700 -0.130 0.000 2.561 529 S HA 0.032 4.501 4.470 -0.001 0.000 0.225 529 S C 1.092 175.654 174.600 -0.063 0.000 0.977 529 S CA 0.317 58.432 58.200 -0.141 0.000 0.926 529 S CB 0.162 63.258 63.200 -0.173 0.000 0.769 529 S HN 0.503 nan 8.310 nan 0.000 0.533 530 R N -0.504 119.991 120.500 -0.008 0.000 2.509 530 R HA 0.304 4.644 4.340 -0.001 0.000 0.297 530 R C -0.706 175.669 176.300 0.124 0.000 0.951 530 R CA -0.221 55.899 56.100 0.034 0.000 1.103 530 R CB 0.573 30.892 30.300 0.033 0.000 1.283 530 R HN 0.555 nan 8.270 nan 0.000 0.534 531 W N 1.237 122.490 121.300 -0.078 0.000 3.211 531 W HA 0.287 4.946 4.660 -0.001 0.000 0.335 531 W C -2.935 173.535 176.519 -0.081 0.000 1.113 531 W CA -1.966 55.317 57.345 -0.103 0.000 1.235 531 W CB 1.787 31.165 29.460 -0.136 0.000 1.365 531 W HN -0.190 nan 8.180 nan 0.000 0.476 532 P HA 0.087 nan 4.420 nan 0.000 0.226 532 P C 0.339 177.257 177.300 -0.638 0.000 1.153 532 P CA 1.758 63.993 63.100 -1.443 0.000 0.777 532 P CB 0.275 31.396 31.700 -0.964 0.000 0.794 533 G N -0.907 107.700 108.800 -0.321 0.000 2.697 533 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.686 533 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.686 533 G C -0.380 174.454 174.900 -0.110 0.000 1.179 533 G CA -0.507 44.499 45.100 -0.156 0.000 0.765 533 G HN 0.088 nan 8.290 nan 0.000 0.649 534 S N 0.459 116.135 115.700 -0.039 0.000 2.546 534 S HA 0.505 4.974 4.470 -0.001 0.000 0.290 534 S C 1.833 176.431 174.600 -0.004 0.000 1.262 534 S CA 2.092 60.303 58.200 0.017 0.000 1.083 534 S CB -0.011 63.238 63.200 0.082 0.000 0.859 534 S HN 2.690 nan 8.310 nan 0.000 0.495 535 G N 2.873 111.668 108.800 -0.008 0.000 2.194 535 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.236 535 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.236 535 G C 0.568 175.438 174.900 -0.051 0.000 0.987 535 G CA 0.227 45.313 45.100 -0.023 0.000 0.635 535 G HN 0.874 nan 8.290 nan 0.000 0.520 536 V N -0.300 119.565 119.914 -0.082 0.000 2.806 536 V HA 0.458 4.578 4.120 -0.001 0.000 0.239 536 V C 0.745 176.769 176.094 -0.118 0.000 1.113 536 V CA 1.759 63.991 62.300 -0.113 0.000 1.137 536 V CB 1.020 32.736 31.823 -0.178 0.000 0.865 536 V HN 0.507 nan 8.190 nan 0.000 0.482 537 E N 0.229 120.354 120.200 -0.125 0.000 2.343 537 E HA 0.165 4.514 4.350 -0.001 0.000 0.286 537 E C -1.840 174.720 176.600 -0.067 0.000 0.915 537 E CA -0.503 55.834 56.400 -0.104 0.000 0.784 537 E CB 1.749 31.357 29.700 -0.154 0.000 1.251 537 E HN 0.149 nan 8.360 nan 0.000 0.407 538 D N 2.859 123.243 120.400 -0.026 0.000 2.453 538 D HA 0.098 4.737 4.640 -0.001 0.000 0.223 538 D C 0.367 176.665 176.300 -0.002 0.000 1.183 538 D CA 0.210 54.216 54.000 0.011 0.000 0.933 538 D CB 0.617 41.437 40.800 0.032 0.000 1.038 538 D HN 0.396 nan 8.370 nan 0.000 0.513 539 S N 2.689 118.374 115.700 -0.024 0.000 2.549 539 S HA 0.187 4.657 4.470 -0.001 0.000 0.225 539 S C 0.903 175.490 174.600 -0.022 0.000 1.039 539 S CA -0.454 57.730 58.200 -0.028 0.000 0.942 539 S CB 0.457 63.625 63.200 -0.054 0.000 0.881 539 S HN 0.238 nan 8.310 nan 0.000 0.503 540 R N 2.886 123.359 120.500 -0.045 0.000 2.543 540 R HA 0.344 4.683 4.340 -0.001 0.000 0.277 540 R C 0.264 176.568 176.300 0.007 0.000 1.074 540 R CA 0.477 56.525 56.100 -0.088 0.000 1.076 540 R CB 0.496 30.603 30.300 -0.322 0.000 0.993 540 R HN 0.522 nan 8.270 nan 0.000 0.459 541 T N -0.861 113.710 114.554 0.028 0.000 2.922 541 T HA 0.240 4.589 4.350 -0.001 0.000 0.285 541 T C 0.258 175.050 174.700 0.154 0.000 1.005 541 T CA -0.722 61.429 62.100 0.085 0.000 1.061 541 T CB 1.608 70.520 68.868 0.074 0.000 1.007 541 T HN 0.339 nan 8.240 nan 0.000 0.502 542 T N 2.767 117.428 114.554 0.179 0.000 2.837 542 T HA 0.441 4.791 4.350 -0.001 0.000 0.285 542 T C 0.319 175.128 174.700 0.182 0.000 0.984 542 T CA -0.565 61.673 62.100 0.229 0.000 1.049 542 T CB 0.364 69.336 68.868 0.173 0.000 0.947 542 T HN 0.568 nan 8.240 nan 0.000 0.472 543 I N 3.925 124.622 120.570 0.211 0.000 2.363 543 I HA 0.232 4.402 4.170 -0.001 0.000 0.292 543 I C 0.086 176.294 176.117 0.151 0.000 1.075 543 I CA -0.120 61.284 61.300 0.173 0.000 1.333 543 I CB 0.301 38.408 38.000 0.179 0.000 1.415 543 I HN 0.435 nan 8.210 nan 0.000 0.502 544 I N 8.074 128.717 120.570 0.122 0.000 2.297 544 I HA 0.316 4.486 4.170 -0.001 0.000 0.291 544 I C -0.182 175.998 176.117 0.105 0.000 1.033 544 I CA -0.228 61.135 61.300 0.106 0.000 1.253 544 I CB 0.561 38.610 38.000 0.082 0.000 1.396 544 I HN 0.385 nan 8.210 nan 0.000 0.476 545 L N 5.786 127.076 121.223 0.111 0.000 2.333 545 L HA 0.949 5.288 4.340 -0.001 0.000 0.269 545 L C 0.134 177.063 176.870 0.098 0.000 1.010 545 L CA -0.690 54.215 54.840 0.107 0.000 0.818 545 L CB 2.187 44.316 42.059 0.118 0.000 1.306 545 L HN 0.681 nan 8.230 nan 0.000 0.430 546 G N -0.070 108.784 108.800 0.090 0.000 2.633 546 G HA2 0.133 4.092 3.960 -0.001 0.000 0.299 546 G HA3 0.133 4.092 3.960 -0.001 0.000 0.299 546 G C -0.220 174.723 174.900 0.072 0.000 1.501 546 G CA -0.452 44.697 45.100 0.082 0.000 0.887 546 G HN 0.694 nan 8.290 nan 0.000 0.561 547 E N 0.134 120.374 120.200 0.067 0.000 2.160 547 E HA -0.151 4.198 4.350 -0.001 0.000 0.195 547 E C 0.741 177.369 176.600 0.048 0.000 0.991 547 E CA 1.416 57.849 56.400 0.055 0.000 0.810 547 E CB 0.181 29.910 29.700 0.049 0.000 0.742 547 E HN 0.445 nan 8.360 nan 0.000 0.466 548 D N -0.364 120.065 120.400 0.048 0.000 2.358 548 D HA 0.104 4.743 4.640 -0.001 0.000 0.224 548 D C 1.119 177.445 176.300 0.043 0.000 1.123 548 D CA 0.178 54.203 54.000 0.041 0.000 0.833 548 D CB 0.849 41.670 40.800 0.036 0.000 0.946 548 D HN 0.333 nan 8.370 nan 0.000 0.505 549 I N -0.958 119.642 120.570 0.051 0.000 4.787 549 I HA 0.112 4.281 4.170 -0.001 0.000 0.309 549 I C -1.424 174.730 176.117 0.062 0.000 1.169 549 I CA 0.055 61.386 61.300 0.053 0.000 1.360 549 I CB 1.205 39.237 38.000 0.053 0.000 1.591 549 I HN -0.166 nan 8.210 nan 0.000 0.480 550 L N 2.227 123.493 121.223 0.071 0.000 2.795 550 L HA 0.479 4.818 4.340 -0.001 0.000 0.260 550 L C -2.577 174.346 176.870 0.089 0.000 0.935 550 L CA -0.765 54.125 54.840 0.084 0.000 0.985 550 L CB 1.834 43.950 42.059 0.094 0.000 1.433 550 L HN -0.173 nan 8.230 nan 0.000 0.447 551 P HA 0.101 nan 4.420 nan 0.000 0.230 551 P C -0.202 177.156 177.300 0.097 0.000 1.168 551 P CA 0.664 63.815 63.100 0.086 0.000 0.793 551 P CB 0.517 32.261 31.700 0.072 0.000 0.851 552 S N -1.810 113.960 115.700 0.116 0.000 2.625 552 S HA 0.726 5.195 4.470 -0.001 0.000 0.271 552 S C -1.318 173.390 174.600 0.181 0.000 1.161 552 S CA -0.696 57.581 58.200 0.129 0.000 0.820 552 S CB 2.480 65.749 63.200 0.116 0.000 1.137 552 S HN -0.120 nan 8.310 nan 0.000 0.470 553 K N 0.507 121.023 120.400 0.193 0.000 2.535 553 K HA 0.576 4.896 4.320 -0.001 0.000 0.251 553 K C -2.059 174.723 176.600 0.305 0.000 0.942 553 K CA -0.227 56.220 56.287 0.267 0.000 0.798 553 K CB 0.985 33.598 32.500 0.188 0.000 1.267 553 K HN 0.845 nan 8.250 nan 0.000 0.434 554 H N 0.803 120.025 119.070 0.254 0.000 2.525 554 H HA 0.504 5.059 4.556 -0.001 0.000 0.339 554 H C -0.296 175.265 175.328 0.388 0.000 1.109 554 H CA -0.157 56.085 56.048 0.324 0.000 1.352 554 H CB 1.132 31.176 29.762 0.470 0.000 1.461 554 H HN 0.397 nan 8.280 nan 0.000 0.533 555 V N 0.883 121.057 119.914 0.434 0.000 2.962 555 V HA 0.787 4.906 4.120 -0.001 0.000 0.313 555 V C -0.763 175.663 176.094 0.553 0.000 1.099 555 V CA -0.857 61.690 62.300 0.412 0.000 0.971 555 V CB 2.061 33.872 31.823 -0.020 0.000 1.028 555 V HN 0.465 nan 8.190 nan 0.000 0.430 556 V N 3.818 124.078 119.914 0.577 0.000 2.760 556 V HA 0.632 4.751 4.120 -0.001 0.000 0.309 556 V C -0.522 175.908 176.094 0.559 0.000 1.077 556 V CA -0.368 62.228 62.300 0.493 0.000 0.910 556 V CB 1.945 33.908 31.823 0.232 0.000 1.008 556 V HN 0.952 nan 8.190 nan 0.000 0.424 557 M N 4.106 124.011 119.600 0.507 0.000 2.404 557 M HA 0.499 4.978 4.480 -0.001 0.000 0.338 557 M C -0.519 176.033 176.300 0.421 0.000 1.150 557 M CA -0.222 55.353 55.300 0.458 0.000 1.016 557 M CB 1.232 34.051 32.600 0.366 0.000 1.672 557 M HN 0.766 nan 8.290 nan 0.000 0.448 558 H N 1.964 121.232 119.070 0.331 0.000 2.492 558 H HA 0.498 5.053 4.556 -0.001 0.000 0.345 558 H C -1.394 174.046 175.328 0.187 0.000 1.136 558 H CA -0.626 55.581 56.048 0.266 0.000 1.202 558 H CB 1.241 31.221 29.762 0.362 0.000 1.524 558 H HN 0.657 nan 8.280 nan 0.000 0.506 559 N N 3.091 121.554 118.700 -0.396 0.000 2.569 559 N HA 0.039 4.778 4.740 -0.001 0.000 0.254 559 N C 0.299 175.467 175.510 -0.569 0.000 1.004 559 N CA -0.312 52.517 53.050 -0.368 0.000 0.904 559 N CB 1.607 39.985 38.487 -0.182 0.000 1.165 559 N HN 0.645 nan 8.380 nan 0.000 0.513 560 T N 2.908 117.171 114.554 -0.484 0.000 3.035 560 T HA 0.150 4.499 4.350 -0.001 0.000 0.268 560 T C 0.705 175.373 174.700 -0.052 0.000 1.109 560 T CA 0.482 62.472 62.100 -0.183 0.000 1.119 560 T CB -0.250 68.673 68.868 0.091 0.000 0.900 560 T HN 0.425 nan 8.240 nan 0.000 0.503 561 L N 2.915 124.055 121.223 -0.137 0.000 2.397 561 L HA 0.285 4.624 4.340 -0.001 0.000 0.271 561 L C -1.575 175.172 176.870 -0.204 0.000 1.148 561 L CA -1.783 52.944 54.840 -0.188 0.000 0.825 561 L CB 0.580 42.387 42.059 -0.421 0.000 1.117 561 L HN -0.014 nan 8.230 nan 0.000 0.456 562 P HA 0.039 nan 4.420 nan 0.000 0.235 562 P C -0.934 176.414 177.300 0.080 0.000 1.725 562 P CA 0.357 63.468 63.100 0.018 0.000 0.894 562 P CB -0.364 31.396 31.700 0.100 0.000 1.704 563 H N -3.244 115.845 119.070 0.033 0.000 3.046 563 H HA 0.222 4.777 4.556 -0.001 0.000 0.361 563 H C -1.021 174.336 175.328 0.048 0.000 1.235 563 H CA -1.058 55.032 56.048 0.070 0.000 1.146 563 H CB -0.101 29.738 29.762 0.128 0.000 1.859 563 H HN -0.125 nan 8.280 nan 0.000 0.548 564 W N 1.819 123.237 121.300 0.197 0.000 2.293 564 W HA 0.200 4.859 4.660 -0.001 0.000 0.342 564 W C 0.923 177.552 176.519 0.183 0.000 1.274 564 W CA 0.517 57.938 57.345 0.128 0.000 1.290 564 W CB 0.439 29.957 29.460 0.098 0.000 1.176 564 W HN 0.547 nan 8.180 nan 0.000 0.570 565 R N 2.116 122.824 120.500 0.347 0.000 2.604 565 R HA 0.304 4.644 4.340 -0.001 0.000 0.281 565 R C -1.125 175.309 176.300 0.223 0.000 1.020 565 R CA -0.669 55.587 56.100 0.258 0.000 0.899 565 R CB 1.456 31.828 30.300 0.120 0.000 1.205 565 R HN 0.511 nan 8.270 nan 0.000 0.450 566 E N 2.297 122.605 120.200 0.180 0.000 2.207 566 E HA 0.283 4.632 4.350 -0.001 0.000 0.270 566 E C -1.300 175.348 176.600 0.080 0.000 0.927 566 E CA -0.823 55.659 56.400 0.138 0.000 0.799 566 E CB 2.424 32.199 29.700 0.124 0.000 1.172 566 E HN 0.412 nan 8.360 nan 0.000 0.404 567 Q N 2.711 122.534 119.800 0.038 0.000 2.438 567 Q HA 0.242 4.581 4.340 -0.001 0.000 0.272 567 Q C -1.599 174.359 176.000 -0.069 0.000 0.994 567 Q CA -0.553 55.244 55.803 -0.009 0.000 0.887 567 Q CB 1.385 30.109 28.738 -0.023 0.000 1.432 567 Q HN 0.545 nan 8.270 nan 0.000 0.392 568 L N 3.206 124.384 121.223 -0.076 0.000 2.416 568 L HA 0.409 4.749 4.340 -0.001 0.000 0.272 568 L C 0.204 176.940 176.870 -0.224 0.000 1.161 568 L CA -0.402 54.355 54.840 -0.139 0.000 0.845 568 L CB 0.706 42.720 42.059 -0.074 0.000 1.119 568 L HN 0.483 nan 8.230 nan 0.000 0.464 569 V N -0.634 119.040 119.914 -0.399 0.000 2.914 569 V HA 0.682 4.801 4.120 -0.001 0.000 0.314 569 V C -0.896 174.931 176.094 -0.444 0.000 1.084 569 V CA -0.863 61.167 62.300 -0.450 0.000 0.963 569 V CB 2.142 33.653 31.823 -0.520 0.000 1.025 569 V HN 0.805 nan 8.190 nan 0.000 0.432 570 D N 1.536 121.673 120.400 -0.438 0.000 2.527 570 D HA 0.639 5.278 4.640 -0.001 0.000 0.233 570 D C -1.437 174.571 176.300 -0.487 0.000 1.063 570 D CA -0.414 53.438 54.000 -0.246 0.000 0.880 570 D CB 2.559 43.317 40.800 -0.070 0.000 1.457 570 D HN 0.448 nan 8.370 nan 0.000 0.475 571 F N -0.157 119.869 119.950 0.126 0.000 2.599 571 F HA 0.321 4.848 4.527 -0.001 0.000 0.311 571 F C -0.577 175.399 175.800 0.293 0.000 1.076 571 F CA -1.037 57.049 58.000 0.145 0.000 0.937 571 F CB 1.597 40.718 39.000 0.201 0.000 1.282 571 F HN 0.169 nan 8.300 nan 0.000 0.460 572 Y N 2.094 122.549 120.300 0.260 0.000 2.304 572 Y HA 0.576 5.126 4.550 -0.001 0.000 0.328 572 Y C 0.228 176.253 175.900 0.208 0.000 1.123 572 Y CA -1.436 56.768 58.100 0.173 0.000 1.218 572 Y CB 1.017 39.533 38.460 0.094 0.000 1.207 572 Y HN 0.355 nan 8.280 nan 0.000 0.495 573 V N -0.588 119.525 119.914 0.332 0.000 3.078 573 V HA 0.553 4.672 4.120 -0.001 0.000 0.311 573 V C 0.315 176.544 176.094 0.225 0.000 1.138 573 V CA -0.753 61.706 62.300 0.266 0.000 1.007 573 V CB 1.665 33.645 31.823 0.262 0.000 1.045 573 V HN 0.663 nan 8.190 nan 0.000 0.432 574 S N 0.051 115.866 115.700 0.191 0.000 2.603 574 S HA 0.274 4.743 4.470 -0.001 0.000 0.220 574 S C 0.648 175.391 174.600 0.238 0.000 0.967 574 S CA 0.477 58.780 58.200 0.171 0.000 0.920 574 S CB -0.325 62.946 63.200 0.119 0.000 0.773 574 S HN 1.567 nan 8.310 nan 0.000 0.529 575 S N 1.181 117.029 115.700 0.245 0.000 2.541 575 S HA 0.547 5.017 4.470 -0.001 0.000 0.271 575 S C -2.651 171.893 174.600 -0.093 0.000 1.133 575 S CA -1.261 56.980 58.200 0.069 0.000 0.876 575 S CB 1.978 65.216 63.200 0.063 0.000 1.105 575 S HN 0.011 nan 8.310 nan 0.000 0.470 576 P HA 0.180 nan 4.420 nan 0.000 0.240 576 P C -0.019 177.185 177.300 -0.161 0.000 1.190 576 P CA 0.319 63.094 63.100 -0.541 0.000 0.781 576 P CB -0.158 30.898 31.700 -1.073 0.000 0.931 577 F N 0.957 120.925 119.950 0.030 0.000 2.509 577 F HA 0.268 4.794 4.527 -0.001 0.000 0.344 577 F C 0.339 176.188 175.800 0.082 0.000 1.197 577 F CA -0.839 57.207 58.000 0.077 0.000 1.294 577 F CB 0.409 39.417 39.000 0.013 0.000 1.643 577 F HN -0.335 nan 8.300 nan 0.000 0.596 578 V N 1.071 121.133 119.914 0.247 0.000 2.789 578 V HA 0.540 4.659 4.120 -0.001 0.000 0.311 578 V C -0.359 175.808 176.094 0.122 0.000 1.073 578 V CA -0.785 61.614 62.300 0.164 0.000 0.921 578 V CB 2.333 34.245 31.823 0.149 0.000 1.009 578 V HN 0.511 nan 8.190 nan 0.000 0.426 579 S N 2.769 118.519 115.700 0.082 0.000 2.599 579 S HA 0.897 5.366 4.470 -0.001 0.000 0.294 579 S C -0.991 173.595 174.600 -0.024 0.000 1.094 579 S CA -0.818 57.410 58.200 0.046 0.000 0.931 579 S CB 2.083 65.326 63.200 0.073 0.000 1.093 579 S HN 0.454 nan 8.310 nan 0.000 0.488 580 V N 1.838 121.698 119.914 -0.091 0.000 2.628 580 V HA 0.815 4.935 4.120 -0.001 0.000 0.306 580 V C 0.118 176.117 176.094 -0.159 0.000 1.045 580 V CA -0.444 61.722 62.300 -0.224 0.000 0.905 580 V CB 1.545 33.031 31.823 -0.561 0.000 0.997 580 V HN 1.211 nan 8.190 nan 0.000 0.436 581 T N -0.455 114.024 114.554 -0.125 0.000 2.906 581 T HA 0.676 5.025 4.350 -0.001 0.000 0.295 581 T C -0.858 173.816 174.700 -0.044 0.000 1.075 581 T CA -0.894 61.156 62.100 -0.083 0.000 1.005 581 T CB 2.145 70.959 68.868 -0.090 0.000 1.136 581 T HN 0.709 nan 8.240 nan 0.000 0.498 582 D N 0.507 120.857 120.400 -0.084 0.000 2.511 582 D HA 0.272 4.912 4.640 -0.001 0.000 0.276 582 D C 0.928 177.087 176.300 -0.234 0.000 1.220 582 D CA -1.176 52.668 54.000 -0.259 0.000 1.077 582 D CB 0.216 40.869 40.800 -0.245 0.000 1.126 582 D HN 0.315 nan 8.370 nan 0.000 0.583 583 L N -0.634 120.434 121.223 -0.260 0.000 2.610 583 L HA 0.264 4.604 4.340 -0.001 0.000 0.232 583 L C 1.815 178.605 176.870 -0.134 0.000 1.149 583 L CA 0.773 55.500 54.840 -0.188 0.000 0.872 583 L CB -0.980 40.972 42.059 -0.179 0.000 0.992 583 L HN 0.631 nan 8.230 nan 0.000 0.447 584 A N -1.330 121.417 122.820 -0.122 0.000 2.307 584 A HA 0.097 4.417 4.320 -0.001 0.000 0.218 584 A C 1.136 178.671 177.584 -0.081 0.000 1.228 584 A CA 0.149 52.132 52.037 -0.090 0.000 0.857 584 A CB -0.446 18.507 19.000 -0.080 0.000 0.897 584 A HN 0.501 nan 8.150 nan 0.000 0.495 585 N N 0.034 118.679 118.700 -0.092 0.000 2.782 585 N HA -0.129 4.611 4.740 -0.001 0.000 0.251 585 N C -1.039 174.425 175.510 -0.078 0.000 1.101 585 N CA 0.638 53.640 53.050 -0.080 0.000 0.764 585 N CB -1.227 37.224 38.487 -0.060 0.000 1.122 585 N HN 0.600 nan 8.380 nan 0.000 0.561 586 N N 1.379 120.029 118.700 -0.084 0.000 2.520 586 N HA 0.278 5.017 4.740 -0.001 0.000 0.273 586 N C -2.409 173.030 175.510 -0.118 0.000 1.155 586 N CA -0.697 52.298 53.050 -0.091 0.000 0.967 586 N CB 0.643 39.087 38.487 -0.073 0.000 1.092 586 N HN 0.125 nan 8.380 nan 0.000 0.457 587 P HA 0.099 nan 4.420 nan 0.000 0.269 587 P C -0.526 176.635 177.300 -0.232 0.000 1.209 587 P CA -0.110 62.805 63.100 -0.309 0.000 0.776 587 P CB 0.745 31.974 31.700 -0.785 0.000 0.876 588 V N 2.161 121.984 119.914 -0.152 0.000 2.531 588 V HA 0.217 4.336 4.120 -0.001 0.000 0.301 588 V C 0.291 176.378 176.094 -0.012 0.000 1.034 588 V CA -0.794 61.477 62.300 -0.049 0.000 0.865 588 V CB 1.537 33.339 31.823 -0.035 0.000 0.995 588 V HN 0.528 nan 8.190 nan 0.000 0.424 589 E N 2.647 122.881 120.200 0.056 0.000 2.414 589 E HA 0.468 4.818 4.350 -0.001 0.000 0.263 589 E C -0.216 176.454 176.600 0.117 0.000 1.000 589 E CA 0.127 56.592 56.400 0.108 0.000 0.914 589 E CB 0.971 30.738 29.700 0.111 0.000 0.948 589 E HN 0.883 nan 8.360 nan 0.000 0.444 590 A N 4.191 127.069 122.820 0.097 0.000 2.527 590 A HA 0.434 4.754 4.320 -0.001 0.000 0.293 590 A C -1.290 176.313 177.584 0.032 0.000 1.117 590 A CA -0.689 51.415 52.037 0.113 0.000 0.723 590 A CB 1.984 21.048 19.000 0.107 0.000 1.313 590 A HN 0.645 nan 8.150 nan 0.000 0.411 591 Q N 0.688 120.515 119.800 0.044 0.000 2.347 591 Q HA 0.657 4.996 4.340 -0.001 0.000 0.271 591 Q C -2.046 173.948 176.000 -0.009 0.000 1.064 591 Q CA -0.558 55.227 55.803 -0.029 0.000 0.800 591 Q CB 2.240 30.999 28.738 0.034 0.000 1.304 591 Q HN 0.581 nan 8.270 nan 0.000 0.438 592 V N 2.533 122.375 119.914 -0.120 0.000 2.459 592 V HA 0.583 4.703 4.120 -0.001 0.000 0.295 592 V C -0.564 175.709 176.094 0.298 0.000 1.029 592 V CA -0.308 62.035 62.300 0.071 0.000 0.874 592 V CB 1.851 33.676 31.823 0.004 0.000 0.985 592 V HN 0.847 nan 8.190 nan 0.000 0.438 593 S N 5.149 121.061 115.700 0.353 0.000 2.632 593 S HA 0.708 5.178 4.470 -0.001 0.000 0.289 593 S C -2.745 171.954 174.600 0.166 0.000 1.115 593 S CA -1.147 57.254 58.200 0.334 0.000 0.889 593 S CB 2.497 65.830 63.200 0.222 0.000 1.116 593 S HN 0.533 nan 8.310 nan 0.000 0.486 594 P HA 0.329 nan 4.420 nan 0.000 0.277 594 P C -1.221 175.764 177.300 -0.525 0.000 1.271 594 P CA -0.559 62.200 63.100 -0.570 0.000 0.795 594 P CB 0.415 31.400 31.700 -1.192 0.000 1.101 595 V N 1.086 120.591 119.914 -0.682 0.000 2.333 595 V HA 0.225 4.344 4.120 -0.001 0.000 0.274 595 V C -0.726 175.043 176.094 -0.543 0.000 1.028 595 V CA -0.230 61.752 62.300 -0.530 0.000 0.851 595 V CB -0.210 31.212 31.823 -0.669 0.000 1.000 595 V HN 0.506 nan 8.190 nan 0.000 0.456 596 W N 3.527 124.731 121.300 -0.160 0.000 2.433 596 W HA 0.623 5.282 4.660 -0.001 0.000 0.315 596 W C 0.418 176.851 176.519 -0.145 0.000 1.087 596 W CA -0.406 56.828 57.345 -0.185 0.000 1.205 596 W CB 1.848 31.198 29.460 -0.182 0.000 1.288 596 W HN 0.567 nan 8.180 nan 0.000 0.504 597 S N 1.754 117.482 115.700 0.048 0.000 2.521 597 S HA 0.570 5.039 4.470 -0.001 0.000 0.295 597 S C -1.310 173.095 174.600 -0.325 0.000 1.098 597 S CA -0.945 57.224 58.200 -0.052 0.000 0.999 597 S CB 0.965 64.137 63.200 -0.046 0.000 1.034 597 S HN 0.406 nan 8.310 nan 0.000 0.483 598 W N 2.016 123.091 121.300 -0.374 0.000 2.376 598 W HA 0.510 5.170 4.660 -0.001 0.000 0.322 598 W C 0.495 176.591 176.519 -0.706 0.000 1.160 598 W CA -0.133 56.968 57.345 -0.406 0.000 1.218 598 W CB 0.752 30.079 29.460 -0.221 0.000 1.205 598 W HN 0.622 nan 8.180 nan 0.000 0.559 599 H N 1.142 120.231 119.070 0.031 0.000 2.589 599 H HA 0.130 4.685 4.556 -0.001 0.000 0.351 599 H C -1.125 174.245 175.328 0.071 0.000 1.074 599 H CA -0.957 55.086 56.048 -0.008 0.000 1.203 599 H CB 1.726 31.398 29.762 -0.150 0.000 1.558 599 H HN 0.568 nan 8.280 nan 0.000 0.522 600 H N 2.682 121.830 119.070 0.130 0.000 2.761 600 H HA 0.023 4.578 4.556 -0.001 0.000 0.284 600 H C -0.391 175.016 175.328 0.132 0.000 1.105 600 H CA -0.602 55.518 56.048 0.121 0.000 1.352 600 H CB 0.472 30.281 29.762 0.078 0.000 1.423 600 H HN 0.437 nan 8.280 nan 0.000 0.464 601 D N 4.106 124.776 120.400 0.450 0.000 2.359 601 D HA -0.056 4.583 4.640 -0.001 0.000 0.250 601 D C 1.022 177.487 176.300 0.274 0.000 1.264 601 D CA 0.229 54.431 54.000 0.337 0.000 0.911 601 D CB 1.253 42.311 40.800 0.430 0.000 1.056 601 D HN 0.654 nan 8.370 nan 0.000 0.499 602 T N 3.421 118.049 114.554 0.123 0.000 3.113 602 T HA 0.006 4.356 4.350 -0.001 0.000 0.263 602 T C 1.842 176.574 174.700 0.053 0.000 1.143 602 T CA 0.626 62.745 62.100 0.032 0.000 1.090 602 T CB 0.115 68.957 68.868 -0.043 0.000 0.922 602 T HN 0.404 nan 8.240 nan 0.000 0.521 603 L N 0.369 121.637 121.223 0.074 0.000 2.189 603 L HA 0.102 4.442 4.340 -0.001 0.000 0.199 603 L C 2.922 179.827 176.870 0.058 0.000 1.074 603 L CA 1.406 56.277 54.840 0.053 0.000 0.783 603 L CB -0.520 41.564 42.059 0.042 0.000 0.955 603 L HN 0.283 nan 8.230 nan 0.000 0.460 604 T N -4.216 110.383 114.554 0.074 0.000 3.088 604 T HA 0.001 4.350 4.350 -0.001 0.000 0.259 604 T C 0.708 175.455 174.700 0.077 0.000 1.122 604 T CA -0.151 61.978 62.100 0.049 0.000 1.095 604 T CB 0.038 68.909 68.868 0.005 0.000 0.930 604 T HN 0.095 nan 8.240 nan 0.000 0.508 605 K N 2.019 122.500 120.400 0.135 0.000 3.125 605 K HA -0.124 4.195 4.320 -0.001 0.000 0.268 605 K C 0.109 176.794 176.600 0.141 0.000 1.078 605 K CA 1.255 57.648 56.287 0.175 0.000 0.775 605 K CB -2.834 29.735 32.500 0.116 0.000 1.253 605 K HN 0.885 nan 8.250 nan 0.000 0.486 606 T N -2.865 111.786 114.554 0.161 0.000 2.883 606 T HA 0.814 5.163 4.350 -0.001 0.000 0.296 606 T C 0.171 174.981 174.700 0.184 0.000 1.117 606 T CA -1.052 61.118 62.100 0.116 0.000 1.006 606 T CB 2.270 71.191 68.868 0.088 0.000 1.191 606 T HN 0.128 nan 8.240 nan 0.000 0.508 607 I N 2.792 123.447 120.570 0.141 0.000 2.354 607 I HA 0.515 4.684 4.170 -0.001 0.000 0.286 607 I C -0.337 176.035 176.117 0.425 0.000 1.007 607 I CA -0.686 60.726 61.300 0.187 0.000 1.167 607 I CB 0.793 38.801 38.000 0.013 0.000 1.320 607 I HN 0.934 nan 8.210 nan 0.000 0.458 608 H N 5.778 124.982 119.070 0.223 0.000 2.980 608 H HA 0.693 5.248 4.556 -0.001 0.000 0.367 608 H C -3.140 171.982 175.328 -0.342 0.000 1.206 608 H CA -2.382 53.655 56.048 -0.018 0.000 1.126 608 H CB 1.947 31.700 29.762 -0.015 0.000 1.838 608 H HN 0.150 nan 8.280 nan 0.000 0.552 609 P HA 0.240 nan 4.420 nan 0.000 0.290 609 P C -1.111 176.075 177.300 -0.190 0.000 1.275 609 P CA -0.708 61.831 63.100 -0.934 0.000 0.841 609 P CB 2.073 32.806 31.700 -1.613 0.000 1.042 610 Q N 0.439 120.251 119.800 0.021 0.000 2.342 610 Q HA 0.649 4.988 4.340 -0.001 0.000 0.267 610 Q C 0.104 176.164 176.000 0.099 0.000 1.038 610 Q CA -0.812 55.083 55.803 0.153 0.000 0.832 610 Q CB 2.281 31.096 28.738 0.129 0.000 1.323 610 Q HN 0.556 nan 8.270 nan 0.000 0.448 611 G N 0.522 109.247 108.800 -0.124 0.000 2.389 611 G HA2 0.365 4.324 3.960 -0.001 0.000 0.328 611 G HA3 0.365 4.324 3.960 -0.001 0.000 0.328 611 G C -0.630 174.004 174.900 -0.443 0.000 1.133 611 G CA -0.414 44.286 45.100 -0.666 0.000 0.891 611 G HN 0.430 nan 8.290 nan 0.000 0.485 612 S N -0.600 114.785 115.700 -0.525 0.000 2.580 612 S HA 0.340 4.809 4.470 -0.001 0.000 0.274 612 S C 1.492 175.829 174.600 -0.438 0.000 1.329 612 S CA 0.277 58.216 58.200 -0.436 0.000 1.036 612 S CB 0.836 63.724 63.200 -0.520 0.000 0.919 612 S HN 0.927 nan 8.310 nan 0.000 0.515 613 T N -0.195 114.188 114.554 -0.284 0.000 3.092 613 T HA 0.177 4.526 4.350 -0.001 0.000 0.258 613 T C 1.006 175.634 174.700 -0.120 0.000 1.031 613 T CA 0.416 62.422 62.100 -0.156 0.000 0.925 613 T CB -0.221 68.608 68.868 -0.065 0.000 1.036 613 T HN 0.715 nan 8.240 nan 0.000 0.544 614 T N -2.119 112.263 114.554 -0.287 0.000 3.087 614 T HA 0.414 4.764 4.350 -0.001 0.000 0.283 614 T C 0.055 174.557 174.700 -0.330 0.000 0.956 614 T CA -0.535 61.455 62.100 -0.183 0.000 0.894 614 T CB 0.268 69.077 68.868 -0.100 0.000 1.160 614 T HN 0.274 nan 8.240 nan 0.000 0.532 615 K N 0.485 120.448 120.400 -0.729 0.000 2.426 615 K HA 0.694 5.013 4.320 -0.001 0.000 0.251 615 K C -1.915 173.990 176.600 -1.158 0.000 0.941 615 K CA -0.802 55.101 56.287 -0.640 0.000 0.808 615 K CB 2.283 34.486 32.500 -0.495 0.000 1.265 615 K HN 0.128 nan 8.250 nan 0.000 0.432 616 Y N -0.131 120.081 120.300 -0.148 0.000 2.615 616 Y HA 0.449 4.998 4.550 -0.001 0.000 0.341 616 Y C -0.327 175.566 175.900 -0.011 0.000 1.089 616 Y CA -1.163 56.877 58.100 -0.099 0.000 1.049 616 Y CB 1.863 40.343 38.460 0.033 0.000 1.296 616 Y HN 0.217 nan 8.280 nan 0.000 0.470 617 R N 1.715 122.329 120.500 0.190 0.000 2.294 617 R HA 0.576 4.915 4.340 -0.001 0.000 0.319 617 R C -1.277 175.192 176.300 0.282 0.000 0.984 617 R CA -0.643 55.615 56.100 0.264 0.000 0.861 617 R CB 1.611 32.044 30.300 0.222 0.000 1.104 617 R HN 0.646 nan 8.270 nan 0.000 0.451 618 I N 4.409 125.171 120.570 0.320 0.000 2.412 618 I HA 0.438 4.607 4.170 -0.001 0.000 0.296 618 I C -1.036 175.270 176.117 0.315 0.000 0.987 618 I CA -0.739 60.742 61.300 0.301 0.000 1.180 618 I CB 1.046 39.241 38.000 0.324 0.000 1.340 618 I HN 0.547 nan 8.210 nan 0.000 0.455 619 I N 8.098 128.822 120.570 0.255 0.000 2.498 619 I HA 0.519 4.689 4.170 -0.001 0.000 0.290 619 I C -1.033 175.233 176.117 0.248 0.000 1.032 619 I CA -0.552 60.847 61.300 0.165 0.000 1.073 619 I CB 1.729 39.786 38.000 0.095 0.000 1.251 619 I HN 0.526 nan 8.210 nan 0.000 0.426 620 F N 2.743 122.718 119.950 0.042 0.000 2.713 620 F HA 0.556 5.083 4.527 -0.001 0.000 0.311 620 F C -1.079 174.702 175.800 -0.032 0.000 1.141 620 F CA -1.299 56.703 58.000 0.002 0.000 0.939 620 F CB 1.321 40.310 39.000 -0.019 0.000 1.325 620 F HN 0.224 nan 8.300 nan 0.000 0.453 621 K N 2.051 122.547 120.400 0.159 0.000 2.285 621 K HA 0.726 5.045 4.320 -0.001 0.000 0.286 621 K C -0.651 175.993 176.600 0.073 0.000 1.072 621 K CA -0.286 56.029 56.287 0.048 0.000 0.913 621 K CB 0.769 33.328 32.500 0.099 0.000 1.067 621 K HN 0.932 nan 8.250 nan 0.000 0.479 622 A N 4.642 127.412 122.820 -0.084 0.000 2.306 622 A HA 0.438 4.758 4.320 -0.001 0.000 0.314 622 A C -0.684 177.027 177.584 0.211 0.000 1.164 622 A CA -0.719 51.335 52.037 0.028 0.000 0.822 622 A CB 0.734 19.707 19.000 -0.045 0.000 1.130 622 A HN 0.876 nan 8.150 nan 0.000 0.496 623 R N 1.935 122.670 120.500 0.391 0.000 2.409 623 R HA 0.598 4.937 4.340 -0.001 0.000 0.313 623 R C -1.876 174.682 176.300 0.430 0.000 0.953 623 R CA -0.230 56.093 56.100 0.370 0.000 0.849 623 R CB 1.327 31.825 30.300 0.331 0.000 1.171 623 R HN 0.512 nan 8.270 nan 0.000 0.458 624 V N 5.935 126.056 119.914 0.344 0.000 2.735 624 V HA 0.488 4.607 4.120 -0.001 0.000 0.310 624 V C -2.263 173.733 176.094 -0.163 0.000 1.061 624 V CA -2.385 60.013 62.300 0.163 0.000 0.913 624 V CB 1.933 33.822 31.823 0.110 0.000 1.005 624 V HN 0.772 nan 8.190 nan 0.000 0.428 625 P HA 0.234 nan 4.420 nan 0.000 0.271 625 P C -2.756 174.057 177.300 -0.811 0.000 1.233 625 P CA -1.397 60.807 63.100 -1.493 0.000 0.789 625 P CB -0.254 30.756 31.700 -1.150 0.000 0.951 626 P HA 0.097 nan 4.420 nan 0.000 0.267 626 P C 0.111 177.359 177.300 -0.087 0.000 1.205 626 P CA 0.495 63.402 63.100 -0.321 0.000 0.765 626 P CB -0.193 31.392 31.700 -0.193 0.000 0.828 627 M N 0.264 119.862 119.600 -0.003 0.000 2.210 627 M HA -0.218 4.262 4.480 -0.001 0.000 0.198 627 M C 0.577 177.058 176.300 0.301 0.000 0.319 627 M CA 0.940 56.376 55.300 0.225 0.000 0.399 627 M CB -2.043 30.782 32.600 0.377 0.000 1.227 627 M HN 0.596 nan 8.290 nan 0.000 0.931 628 G N -0.221 108.611 108.800 0.053 0.000 3.086 628 G HA2 0.940 4.899 3.960 -0.001 0.000 0.282 628 G HA3 0.940 4.899 3.960 -0.001 0.000 0.282 628 G C -1.308 173.703 174.900 0.185 0.000 1.343 628 G CA -0.976 44.117 45.100 -0.011 0.000 0.895 628 G HN 0.196 nan 8.290 nan 0.000 0.557 629 L N -0.675 120.636 121.223 0.146 0.000 2.393 629 L HA 0.822 5.161 4.340 -0.001 0.000 0.260 629 L C -0.303 176.646 176.870 0.131 0.000 1.002 629 L CA -1.062 53.899 54.840 0.202 0.000 0.818 629 L CB 2.516 44.706 42.059 0.219 0.000 1.369 629 L HN 0.788 nan 8.230 nan 0.000 0.412 630 A N 0.536 123.473 122.820 0.196 0.000 2.459 630 A HA 0.784 5.103 4.320 -0.001 0.000 0.296 630 A C -0.841 176.857 177.584 0.189 0.000 1.039 630 A CA -0.437 51.691 52.037 0.151 0.000 0.698 630 A CB 1.712 20.858 19.000 0.243 0.000 1.261 630 A HN 0.550 nan 8.150 nan 0.000 0.405 631 T N 2.039 116.595 114.554 0.003 0.000 2.867 631 T HA 0.668 5.018 4.350 -0.001 0.000 0.282 631 T C -1.033 173.524 174.700 -0.238 0.000 1.000 631 T CA 0.225 62.371 62.100 0.076 0.000 1.042 631 T CB 0.415 69.335 68.868 0.088 0.000 0.973 631 T HN 0.439 nan 8.240 nan 0.000 0.465 632 Y N 0.101 120.472 120.300 0.119 0.000 2.605 632 Y HA 0.655 5.204 4.550 -0.001 0.000 0.343 632 Y C -0.417 175.394 175.900 -0.148 0.000 1.036 632 Y CA -1.168 56.918 58.100 -0.023 0.000 1.065 632 Y CB 1.752 40.217 38.460 0.009 0.000 1.288 632 Y HN 0.308 nan 8.280 nan 0.000 0.481 633 V N 3.239 123.099 119.914 -0.089 0.000 2.588 633 V HA 0.432 4.552 4.120 -0.001 0.000 0.304 633 V C -0.773 175.262 176.094 -0.099 0.000 1.042 633 V CA -0.938 61.253 62.300 -0.181 0.000 0.877 633 V CB 1.722 33.369 31.823 -0.293 0.000 0.996 633 V HN 0.501 nan 8.190 nan 0.000 0.425 634 L N 4.016 125.212 121.223 -0.045 0.000 2.282 634 L HA 0.684 5.023 4.340 -0.001 0.000 0.288 634 L C -0.052 176.837 176.870 0.032 0.000 1.033 634 L CA -0.102 54.727 54.840 -0.018 0.000 0.807 634 L CB 1.748 43.815 42.059 0.012 0.000 1.209 634 L HN 0.604 nan 8.230 nan 0.000 0.423 635 T N 3.672 118.248 114.554 0.037 0.000 2.861 635 T HA 0.475 4.824 4.350 -0.001 0.000 0.287 635 T C -0.282 174.469 174.700 0.084 0.000 1.003 635 T CA -0.390 61.745 62.100 0.060 0.000 0.977 635 T CB 2.456 71.348 68.868 0.040 0.000 0.996 635 T HN 0.394 nan 8.240 nan 0.000 0.448 636 I N 2.894 123.523 120.570 0.097 0.000 2.612 636 I HA 0.602 4.771 4.170 -0.001 0.000 0.295 636 I C 0.126 176.308 176.117 0.109 0.000 1.011 636 I CA 0.050 61.424 61.300 0.123 0.000 1.326 636 I CB 0.853 38.929 38.000 0.126 0.000 1.427 636 I HN 0.825 nan 8.210 nan 0.000 0.537 637 S N 2.495 118.275 115.700 0.133 0.000 2.661 637 S HA 0.348 4.817 4.470 -0.001 0.000 0.285 637 S C -0.161 174.467 174.600 0.046 0.000 1.138 637 S CA -0.459 57.780 58.200 0.066 0.000 0.855 637 S CB 1.558 64.777 63.200 0.031 0.000 1.136 637 S HN 0.706 nan 8.310 nan 0.000 0.484 638 D N 0.300 120.674 120.400 -0.044 0.000 2.347 638 D HA 0.157 4.796 4.640 -0.001 0.000 0.215 638 D C 0.872 176.930 176.300 -0.403 0.000 0.976 638 D CA 0.730 54.673 54.000 -0.096 0.000 0.884 638 D CB -0.133 40.626 40.800 -0.068 0.000 0.915 638 D HN 0.668 nan 8.370 nan 0.000 0.526 639 S N -1.846 113.508 115.700 -0.576 0.000 2.776 639 S HA 0.373 4.843 4.470 -0.001 0.000 0.292 639 S C -0.754 173.354 174.600 -0.821 0.000 1.187 639 S CA -1.306 56.256 58.200 -1.063 0.000 0.834 639 S CB 1.149 64.023 63.200 -0.544 0.000 1.199 639 S HN -0.073 nan 8.310 nan 0.000 0.514 640 K N 2.007 122.025 120.400 -0.636 0.000 2.437 640 K HA 0.195 4.514 4.320 -0.001 0.000 0.277 640 K C -2.400 174.207 176.600 0.010 0.000 1.073 640 K CA -0.615 55.636 56.287 -0.058 0.000 1.105 640 K CB -0.461 32.066 32.500 0.045 0.000 0.881 640 K HN 0.379 nan 8.250 nan 0.000 0.475 641 P HA -0.005 nan 4.420 nan 0.000 0.275 641 P C 0.446 177.761 177.300 0.026 0.000 1.228 641 P CA -0.302 62.839 63.100 0.068 0.000 0.786 641 P CB 0.780 32.548 31.700 0.113 0.000 0.927 642 E N 1.338 121.512 120.200 -0.042 0.000 2.160 642 E HA -0.234 4.116 4.350 -0.001 0.000 0.195 642 E C 0.436 176.837 176.600 -0.331 0.000 0.991 642 E CA 1.124 57.406 56.400 -0.197 0.000 0.810 642 E CB -0.033 29.493 29.700 -0.289 0.000 0.742 642 E HN 0.493 nan 8.360 nan 0.000 0.466 643 H N -0.525 118.553 119.070 0.013 0.000 2.487 643 H HA 0.228 4.783 4.556 -0.001 0.000 0.290 643 H C -0.462 174.859 175.328 -0.011 0.000 1.081 643 H CA 0.173 56.224 56.048 0.004 0.000 1.116 643 H CB 0.714 30.477 29.762 0.002 0.000 1.560 643 H HN -0.048 nan 8.280 nan 0.000 0.548 644 T N 1.411 115.981 114.554 0.027 0.000 2.812 644 T HA 0.325 4.674 4.350 -0.001 0.000 0.282 644 T C 0.245 174.825 174.700 -0.200 0.000 0.990 644 T CA -0.715 61.337 62.100 -0.080 0.000 0.960 644 T CB 2.182 71.004 68.868 -0.077 0.000 0.948 644 T HN 0.270 nan 8.240 nan 0.000 0.438 645 S N 2.238 117.773 115.700 -0.274 0.000 2.704 645 S HA 0.798 5.267 4.470 -0.001 0.000 0.305 645 S C -1.426 172.827 174.600 -0.578 0.000 1.107 645 S CA -0.841 57.212 58.200 -0.246 0.000 0.993 645 S CB 0.941 64.106 63.200 -0.059 0.000 1.110 645 S HN 0.574 nan 8.310 nan 0.000 0.534 646 Y N 0.021 120.320 120.300 -0.002 0.000 2.376 646 Y HA 0.659 5.208 4.550 -0.001 0.000 0.340 646 Y C 0.579 176.522 175.900 0.072 0.000 0.965 646 Y CA -0.779 57.300 58.100 -0.034 0.000 1.078 646 Y CB 1.705 40.005 38.460 -0.267 0.000 1.193 646 Y HN 1.035 nan 8.280 nan 0.000 0.452 647 A N 1.974 124.973 122.820 0.299 0.000 2.386 647 A HA 0.524 4.844 4.320 -0.001 0.000 0.248 647 A C 0.239 178.020 177.584 0.329 0.000 1.082 647 A CA -0.335 51.870 52.037 0.279 0.000 0.789 647 A CB -0.022 19.140 19.000 0.270 0.000 1.025 647 A HN 0.765 nan 8.150 nan 0.000 0.490 648 S N 1.797 117.626 115.700 0.215 0.000 2.672 648 S HA 0.565 5.035 4.470 -0.001 0.000 0.276 648 S C -0.380 174.317 174.600 0.161 0.000 1.207 648 S CA -0.898 57.415 58.200 0.188 0.000 1.002 648 S CB 0.799 64.066 63.200 0.111 0.000 0.998 648 S HN 0.691 nan 8.310 nan 0.000 0.542 649 N N 0.438 119.209 118.700 0.119 0.000 2.310 649 N HA 0.460 5.199 4.740 -0.001 0.000 0.292 649 N C -2.030 173.424 175.510 -0.092 0.000 1.049 649 N CA -0.528 52.548 53.050 0.044 0.000 0.849 649 N CB 2.042 40.636 38.487 0.179 0.000 1.532 649 N HN 0.570 nan 8.380 nan 0.000 0.479 650 L N 2.726 123.852 121.223 -0.162 0.000 2.376 650 L HA 0.492 4.831 4.340 -0.001 0.000 0.275 650 L C -1.458 175.251 176.870 -0.268 0.000 0.987 650 L CA -0.576 54.138 54.840 -0.210 0.000 0.828 650 L CB 1.445 43.434 42.059 -0.118 0.000 1.249 650 L HN 0.431 nan 8.230 nan 0.000 0.409 651 L N 6.788 127.798 121.223 -0.355 0.000 2.265 651 L HA 0.472 4.812 4.340 -0.001 0.000 0.289 651 L C -1.234 175.599 176.870 -0.061 0.000 1.033 651 L CA -0.377 54.312 54.840 -0.252 0.000 0.814 651 L CB 1.185 43.077 42.059 -0.278 0.000 1.203 651 L HN 0.673 nan 8.230 nan 0.000 0.423 652 L N 6.901 128.105 121.223 -0.031 0.000 2.265 652 L HA 0.592 4.931 4.340 -0.001 0.000 0.289 652 L C -0.261 176.639 176.870 0.050 0.000 1.033 652 L CA -0.554 54.300 54.840 0.024 0.000 0.814 652 L CB 1.202 43.266 42.059 0.008 0.000 1.203 652 L HN 0.672 nan 8.230 nan 0.000 0.423 653 R N 1.897 122.439 120.500 0.071 0.000 2.825 653 R HA 0.438 4.777 4.340 -0.001 0.000 0.274 653 R C -1.775 174.555 176.300 0.050 0.000 1.026 653 R CA -1.035 55.100 56.100 0.058 0.000 0.867 653 R CB 1.133 31.468 30.300 0.059 0.000 1.268 653 R HN 0.222 nan 8.270 nan 0.000 0.491 654 K N 1.060 121.478 120.400 0.029 0.000 2.098 654 K HA 0.267 4.586 4.320 -0.001 0.000 0.257 654 K C -0.314 176.282 176.600 -0.006 0.000 0.999 654 K CA -0.416 55.880 56.287 0.015 0.000 0.924 654 K CB 0.516 33.024 32.500 0.012 0.000 1.028 654 K HN 0.805 nan 8.250 nan 0.000 0.466 655 N N 0.837 119.523 118.700 -0.024 0.000 2.746 655 N HA -0.107 4.633 4.740 -0.001 0.000 0.250 655 N C -2.644 172.819 175.510 -0.079 0.000 1.055 655 N CA 0.093 53.112 53.050 -0.051 0.000 0.699 655 N CB -0.715 37.745 38.487 -0.044 0.000 0.919 655 N HN 0.387 nan 8.380 nan 0.000 0.548 656 P HA 0.338 nan 4.420 nan 0.000 0.279 656 P C -0.403 176.727 177.300 -0.284 0.000 1.252 656 P CA -0.144 62.857 63.100 -0.165 0.000 0.811 656 P CB 1.124 32.705 31.700 -0.198 0.000 1.035 657 T N -2.909 111.478 114.554 -0.278 0.000 2.916 657 T HA 0.472 4.822 4.350 -0.001 0.000 0.292 657 T C 0.240 174.776 174.700 -0.273 0.000 1.055 657 T CA -0.747 61.206 62.100 -0.245 0.000 1.009 657 T CB 0.658 69.454 68.868 -0.120 0.000 1.118 657 T HN 0.483 nan 8.240 nan 0.000 0.497 658 S N 1.127 116.710 115.700 -0.194 0.000 2.560 658 S HA 0.333 4.802 4.470 -0.001 0.000 0.276 658 S C -0.127 174.578 174.600 0.175 0.000 1.350 658 S CA -0.670 57.516 58.200 -0.023 0.000 1.024 658 S CB -0.365 62.836 63.200 0.001 0.000 0.864 658 S HN 0.715 nan 8.310 nan 0.000 0.536 659 L N 2.329 123.749 121.223 0.329 0.000 2.489 659 L HA 0.375 4.714 4.340 -0.001 0.000 0.257 659 L C -2.323 174.653 176.870 0.176 0.000 1.215 659 L CA -1.510 53.496 54.840 0.277 0.000 0.915 659 L CB 1.714 44.017 42.059 0.406 0.000 1.146 659 L HN 0.608 nan 8.230 nan 0.000 0.494 660 P HA 0.204 nan 4.420 nan 0.000 0.274 660 P C -0.167 177.134 177.300 0.001 0.000 1.231 660 P CA -0.230 62.907 63.100 0.062 0.000 0.790 660 P CB 1.849 33.575 31.700 0.044 0.000 0.951 661 L N 1.127 122.361 121.223 0.018 0.000 3.255 661 L HA 0.287 4.627 4.340 -0.001 0.000 0.293 661 L C 1.395 178.338 176.870 0.121 0.000 1.302 661 L CA -0.178 54.655 54.840 -0.013 0.000 0.977 661 L CB 0.030 42.047 42.059 -0.070 0.000 1.390 661 L HN 0.741 nan 8.230 nan 0.000 0.588 662 G N 1.204 110.053 108.800 0.082 0.000 2.611 662 G HA2 -0.405 3.555 3.960 -0.001 0.000 0.301 662 G HA3 -0.405 3.555 3.960 -0.001 0.000 0.301 662 G C 0.527 175.473 174.900 0.078 0.000 1.233 662 G CA 0.749 45.914 45.100 0.108 0.000 0.993 662 G HN 0.506 nan 8.290 nan 0.000 0.553 663 Q N -0.548 119.264 119.800 0.021 0.000 2.482 663 Q HA 0.206 4.546 4.340 -0.001 0.000 0.209 663 Q C 0.842 176.641 176.000 -0.335 0.000 0.961 663 Q CA 0.263 55.965 55.803 -0.169 0.000 0.945 663 Q CB 0.257 28.806 28.738 -0.315 0.000 1.012 663 Q HN 0.508 nan 8.270 nan 0.000 0.515 664 Y N 4.332 124.400 120.300 -0.387 0.000 2.881 664 Y HA -0.069 4.480 4.550 -0.001 0.000 0.335 664 Y C -1.278 174.453 175.900 -0.281 0.000 1.263 664 Y CA -1.457 56.406 58.100 -0.395 0.000 1.572 664 Y CB 0.779 39.181 38.460 -0.097 0.000 1.237 664 Y HN 0.067 nan 8.280 nan 0.000 0.568 665 P HA -0.114 nan 4.420 nan 0.000 0.234 665 P C -0.564 176.581 177.300 -0.258 0.000 1.167 665 P CA 0.888 63.703 63.100 -0.474 0.000 0.763 665 P CB 0.302 31.596 31.700 -0.677 0.000 0.835 666 E N 0.706 120.810 120.200 -0.161 0.000 2.199 666 E HA 0.235 4.585 4.350 -0.001 0.000 0.265 666 E C -0.885 175.841 176.600 0.211 0.000 0.882 666 E CA -0.847 55.590 56.400 0.061 0.000 0.759 666 E CB 0.853 30.629 29.700 0.126 0.000 1.148 666 E HN -0.192 nan 8.360 nan 0.000 0.412 667 D N 2.723 123.202 120.400 0.133 0.000 2.382 667 D HA 0.104 4.743 4.640 -0.001 0.000 0.245 667 D C -0.080 176.287 176.300 0.112 0.000 1.120 667 D CA -0.192 53.889 54.000 0.135 0.000 0.890 667 D CB 1.303 42.169 40.800 0.110 0.000 1.201 667 D HN 0.207 nan 8.370 nan 0.000 0.433 668 V N 2.808 122.772 119.914 0.085 0.000 2.740 668 V HA -0.006 4.113 4.120 -0.001 0.000 0.303 668 V C 0.912 176.863 176.094 -0.238 0.000 1.054 668 V CA 0.235 62.490 62.300 -0.075 0.000 1.106 668 V CB 0.399 32.152 31.823 -0.117 0.000 0.957 668 V HN 0.308 nan 8.190 nan 0.000 0.486 669 K N 3.374 123.566 120.400 -0.346 0.000 2.156 669 K HA 0.686 5.005 4.320 -0.001 0.000 0.250 669 K C -1.304 174.938 176.600 -0.597 0.000 0.955 669 K CA -0.402 55.721 56.287 -0.272 0.000 0.855 669 K CB 1.776 34.225 32.500 -0.086 0.000 1.101 669 K HN 0.413 nan 8.250 nan 0.000 0.434 670 F N -0.636 119.325 119.950 0.018 0.000 2.611 670 F HA 0.697 5.224 4.527 -0.001 0.000 0.324 670 F C 0.536 176.337 175.800 0.003 0.000 1.061 670 F CA -0.604 57.398 58.000 0.003 0.000 0.954 670 F CB 2.561 41.563 39.000 0.002 0.000 1.301 670 F HN 0.641 nan 8.300 nan 0.000 0.482 671 G N 0.122 109.034 108.800 0.186 0.000 2.523 671 G HA2 0.392 4.352 3.960 -0.001 0.000 0.291 671 G HA3 0.392 4.352 3.960 -0.001 0.000 0.291 671 G C -2.268 172.681 174.900 0.083 0.000 1.450 671 G CA -0.871 44.293 45.100 0.107 0.000 0.790 671 G HN 0.363 nan 8.290 nan 0.000 0.496 672 D N 0.754 121.189 120.400 0.059 0.000 2.339 672 D HA 0.438 5.078 4.640 -0.001 0.000 0.245 672 D C -1.990 174.335 176.300 0.041 0.000 1.115 672 D CA -0.755 53.273 54.000 0.047 0.000 0.917 672 D CB 1.094 41.916 40.800 0.037 0.000 1.192 672 D HN 0.005 nan 8.370 nan 0.000 0.428 673 P HA 0.049 nan 4.420 nan 0.000 0.264 673 P C -0.444 176.878 177.300 0.037 0.000 1.179 673 P CA 0.484 63.607 63.100 0.038 0.000 0.763 673 P CB 0.413 32.137 31.700 0.040 0.000 0.806 674 R N 0.354 120.877 120.500 0.039 0.000 2.690 674 R HA 0.390 4.730 4.340 -0.001 0.000 0.269 674 R C -1.157 175.174 176.300 0.051 0.000 1.037 674 R CA -1.023 55.101 56.100 0.040 0.000 0.877 674 R CB 1.030 31.350 30.300 0.034 0.000 1.255 674 R HN 0.228 nan 8.270 nan 0.000 0.467 675 E N 1.413 121.645 120.200 0.053 0.000 2.415 675 E HA 0.147 4.496 4.350 -0.001 0.000 0.262 675 E C -0.132 176.515 176.600 0.077 0.000 1.038 675 E CA -0.011 56.431 56.400 0.070 0.000 0.921 675 E CB 0.694 30.422 29.700 0.047 0.000 0.950 675 E HN 0.224 nan 8.360 nan 0.000 0.438 676 I N 1.124 121.772 120.570 0.130 0.000 2.730 676 I HA 0.204 4.373 4.170 -0.001 0.000 0.298 676 I C -0.252 176.001 176.117 0.227 0.000 1.089 676 I CA -0.434 60.949 61.300 0.138 0.000 1.041 676 I CB 1.995 40.046 38.000 0.085 0.000 1.235 676 I HN 0.367 nan 8.210 nan 0.000 0.423 677 S N 6.042 121.846 115.700 0.173 0.000 2.538 677 S HA 0.868 5.338 4.470 -0.001 0.000 0.288 677 S C -1.306 173.404 174.600 0.182 0.000 1.108 677 S CA -0.461 57.852 58.200 0.188 0.000 0.971 677 S CB 1.238 64.499 63.200 0.101 0.000 1.041 677 S HN 0.466 nan 8.310 nan 0.000 0.483 678 L N 3.382 124.741 121.223 0.226 0.000 2.393 678 L HA 0.713 5.052 4.340 -0.001 0.000 0.260 678 L C -0.412 176.544 176.870 0.144 0.000 1.002 678 L CA -0.815 54.130 54.840 0.174 0.000 0.818 678 L CB 2.458 44.633 42.059 0.194 0.000 1.369 678 L HN 0.673 nan 8.230 nan 0.000 0.412 679 R N 1.486 122.049 120.500 0.105 0.000 2.510 679 R HA 0.635 4.974 4.340 -0.001 0.000 0.287 679 R C -2.075 174.267 176.300 0.071 0.000 1.084 679 R CA -0.452 55.697 56.100 0.083 0.000 0.934 679 R CB 2.259 32.600 30.300 0.068 0.000 1.201 679 R HN 0.403 nan 8.270 nan 0.000 0.431 680 V N 4.480 124.434 119.914 0.067 0.000 2.435 680 V HA 0.576 4.695 4.120 -0.001 0.000 0.290 680 V C 1.107 177.230 176.094 0.048 0.000 1.030 680 V CA 0.590 62.925 62.300 0.059 0.000 0.881 680 V CB 1.161 33.022 31.823 0.062 0.000 0.983 680 V HN 1.108 nan 8.190 nan 0.000 0.445 681 G N 4.895 113.722 108.800 0.045 0.000 2.596 681 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.295 681 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.295 681 G C 0.510 175.429 174.900 0.032 0.000 1.240 681 G CA 0.634 45.757 45.100 0.038 0.000 0.985 681 G HN 0.681 nan 8.290 nan 0.000 0.555 682 N N 2.279 120.994 118.700 0.026 0.000 2.235 682 N HA 0.235 4.974 4.740 -0.001 0.000 0.209 682 N C 1.291 176.809 175.510 0.014 0.000 1.122 682 N CA 0.906 53.968 53.050 0.018 0.000 0.845 682 N CB 0.421 38.916 38.487 0.014 0.000 1.004 682 N HN 0.804 nan 8.380 nan 0.000 0.499 683 G N 1.971 110.783 108.800 0.020 0.000 2.486 683 G HA2 0.138 4.098 3.960 -0.001 0.000 0.272 683 G HA3 0.138 4.098 3.960 -0.001 0.000 0.272 683 G C -2.261 172.645 174.900 0.010 0.000 1.426 683 G CA -0.489 44.620 45.100 0.016 0.000 1.058 683 G HN 0.020 nan 8.290 nan 0.000 0.531 684 P HA 0.206 nan 4.420 nan 0.000 0.274 684 P C -0.580 176.728 177.300 0.013 0.000 1.237 684 P CA 0.042 63.138 63.100 -0.006 0.000 0.793 684 P CB 0.886 32.577 31.700 -0.015 0.000 0.977 685 T N 2.269 116.824 114.554 0.002 0.000 2.771 685 T HA 0.473 4.822 4.350 -0.001 0.000 0.281 685 T C -0.024 174.696 174.700 0.033 0.000 0.982 685 T CA -0.396 61.730 62.100 0.043 0.000 0.978 685 T CB 0.147 69.055 68.868 0.066 0.000 0.930 685 T HN 0.175 nan 8.240 nan 0.000 0.447 686 L N 2.651 123.901 121.223 0.044 0.000 2.329 686 L HA 0.802 5.141 4.340 -0.001 0.000 0.279 686 L C 0.171 176.971 176.870 -0.117 0.000 1.014 686 L CA -1.182 53.603 54.840 -0.091 0.000 0.814 686 L CB 1.530 43.515 42.059 -0.123 0.000 1.257 686 L HN 0.633 nan 8.230 nan 0.000 0.424 687 A N 3.072 125.724 122.820 -0.281 0.000 2.337 687 A HA 0.875 5.194 4.320 -0.001 0.000 0.329 687 A C -1.191 176.118 177.584 -0.457 0.000 1.146 687 A CA -0.306 51.621 52.037 -0.183 0.000 0.800 687 A CB 0.833 19.765 19.000 -0.113 0.000 1.220 687 A HN 0.500 nan 8.150 nan 0.000 0.472 688 F N 0.706 120.650 119.950 -0.011 0.000 2.561 688 F HA 0.564 5.090 4.527 -0.001 0.000 0.321 688 F C 1.068 176.863 175.800 -0.008 0.000 1.065 688 F CA -0.334 57.666 58.000 0.000 0.000 0.934 688 F CB 2.130 41.150 39.000 0.034 0.000 1.215 688 F HN 0.670 nan 8.300 nan 0.000 0.471 689 S N -0.147 115.661 115.700 0.180 0.000 2.634 689 S HA 0.134 4.604 4.470 -0.001 0.000 0.261 689 S C 0.949 175.628 174.600 0.132 0.000 1.271 689 S CA -0.111 58.158 58.200 0.115 0.000 0.985 689 S CB 0.728 63.987 63.200 0.098 0.000 0.968 689 S HN 0.837 nan 8.310 nan 0.000 0.568 690 E N -0.310 119.945 120.200 0.092 0.000 2.472 690 E HA -0.168 4.181 4.350 -0.001 0.000 0.200 690 E C 1.175 177.821 176.600 0.077 0.000 1.046 690 E CA 0.861 57.307 56.400 0.076 0.000 0.871 690 E CB -0.415 29.320 29.700 0.058 0.000 0.806 690 E HN 0.752 nan 8.360 nan 0.000 0.533 691 Q N 0.025 119.881 119.800 0.094 0.000 2.246 691 Q HA 0.219 4.558 4.340 -0.001 0.000 0.202 691 Q C 0.781 176.848 176.000 0.112 0.000 0.883 691 Q CA 0.419 56.275 55.803 0.088 0.000 0.952 691 Q CB 1.029 29.819 28.738 0.086 0.000 1.078 691 Q HN 0.478 nan 8.270 nan 0.000 0.493 692 G N 0.420 109.303 108.800 0.139 0.000 2.143 692 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.248 692 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.248 692 G C -0.252 174.852 174.900 0.339 0.000 0.991 692 G CA -0.127 45.064 45.100 0.152 0.000 0.689 692 G HN 0.276 nan 8.290 nan 0.000 0.522 693 L N -0.105 121.340 121.223 0.370 0.000 2.325 693 L HA 0.680 5.019 4.340 -0.001 0.000 0.278 693 L C 0.800 177.883 176.870 0.356 0.000 1.023 693 L CA -1.393 53.707 54.840 0.432 0.000 0.811 693 L CB 1.574 43.799 42.059 0.276 0.000 1.249 693 L HN 0.132 nan 8.230 nan 0.000 0.431 694 L N 3.382 124.798 121.223 0.322 0.000 2.559 694 L HA -0.040 4.299 4.340 -0.001 0.000 0.282 694 L C 1.028 177.732 176.870 -0.277 0.000 1.232 694 L CA 0.941 55.670 54.840 -0.185 0.000 0.885 694 L CB 0.169 42.193 42.059 -0.059 0.000 1.131 694 L HN 0.810 nan 8.230 nan 0.000 0.498 695 K N 1.309 121.418 120.400 -0.486 0.000 2.511 695 K HA 0.319 4.639 4.320 -0.001 0.000 0.209 695 K C -0.147 176.084 176.600 -0.616 0.000 1.301 695 K CA 0.314 56.093 56.287 -0.847 0.000 0.967 695 K CB 0.449 32.508 32.500 -0.735 0.000 1.109 695 K HN 0.606 nan 8.250 nan 0.000 0.561 696 S N 0.346 115.826 115.700 -0.368 0.000 2.567 696 S HA 0.590 5.059 4.470 -0.001 0.000 0.270 696 S C -1.185 173.320 174.600 -0.158 0.000 1.152 696 S CA -0.987 57.098 58.200 -0.192 0.000 0.835 696 S CB 1.307 64.468 63.200 -0.066 0.000 1.115 696 S HN 0.179 nan 8.310 nan 0.000 0.459 697 I N 1.451 121.958 120.570 -0.106 0.000 2.499 697 I HA 0.450 4.619 4.170 -0.001 0.000 0.288 697 I C -0.603 175.453 176.117 -0.102 0.000 1.048 697 I CA -0.361 60.880 61.300 -0.099 0.000 1.062 697 I CB 2.157 40.093 38.000 -0.107 0.000 1.238 697 I HN 0.740 nan 8.210 nan 0.000 0.426 698 Q N 6.122 125.845 119.800 -0.129 0.000 2.368 698 Q HA 0.415 4.755 4.340 -0.001 0.000 0.263 698 Q C 0.093 176.007 176.000 -0.144 0.000 1.009 698 Q CA -0.513 55.145 55.803 -0.243 0.000 0.818 698 Q CB 1.600 30.032 28.738 -0.510 0.000 1.239 698 Q HN 0.781 nan 8.270 nan 0.000 0.464 699 L N 1.995 123.147 121.223 -0.119 0.000 2.017 699 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 699 L C 1.290 178.121 176.870 -0.066 0.000 1.073 699 L CA 1.410 56.203 54.840 -0.079 0.000 0.745 699 L CB -0.373 41.644 42.059 -0.069 0.000 0.894 699 L HN 0.667 nan 8.230 nan 0.000 0.432 700 T N -5.846 108.661 114.554 -0.078 0.000 2.907 700 T HA 0.206 4.555 4.350 -0.001 0.000 0.290 700 T C 0.348 175.008 174.700 -0.067 0.000 1.066 700 T CA -0.733 61.333 62.100 -0.057 0.000 1.012 700 T CB 2.251 71.091 68.868 -0.046 0.000 1.184 700 T HN -0.071 nan 8.240 nan 0.000 0.522 701 Q N -0.101 119.675 119.800 -0.039 0.000 2.152 701 Q HA -0.157 4.183 4.340 -0.001 0.000 0.206 701 Q C 1.276 177.255 176.000 -0.035 0.000 0.985 701 Q CA 2.314 58.100 55.803 -0.028 0.000 0.863 701 Q CB -0.036 28.697 28.738 -0.007 0.000 0.904 701 Q HN 0.690 nan 8.270 nan 0.000 0.422 702 D N -0.578 119.799 120.400 -0.038 0.000 2.355 702 D HA -0.007 4.632 4.640 -0.001 0.000 0.206 702 D C 0.655 176.922 176.300 -0.054 0.000 1.010 702 D CA 0.533 54.514 54.000 -0.033 0.000 0.875 702 D CB 0.070 40.858 40.800 -0.020 0.000 0.966 702 D HN 0.212 nan 8.370 nan 0.000 0.512 703 S N 2.140 117.791 115.700 -0.081 0.000 2.580 703 S HA 0.151 4.620 4.470 -0.001 0.000 0.266 703 S C -2.285 172.230 174.600 -0.142 0.000 1.354 703 S CA -0.998 57.145 58.200 -0.095 0.000 1.008 703 S CB 0.599 63.741 63.200 -0.097 0.000 0.898 703 S HN -0.093 nan 8.310 nan 0.000 0.555 704 P HA 0.109 nan 4.420 nan 0.000 0.272 704 P C -0.658 176.544 177.300 -0.164 0.000 1.230 704 P CA -0.179 62.876 63.100 -0.075 0.000 0.788 704 P CB 0.193 31.883 31.700 -0.016 0.000 0.949 705 H N 0.643 119.700 119.070 -0.021 0.000 2.969 705 H HA 0.158 4.713 4.556 -0.001 0.000 0.269 705 H C -0.062 175.240 175.328 -0.044 0.000 1.223 705 H CA -0.361 55.664 56.048 -0.038 0.000 1.400 705 H CB -0.062 29.679 29.762 -0.036 0.000 1.500 705 H HN 0.099 nan 8.280 nan 0.000 0.486 706 V N 6.824 126.728 119.914 -0.017 0.000 2.479 706 V HA 0.020 4.139 4.120 -0.001 0.000 0.281 706 V C -1.860 174.201 176.094 -0.055 0.000 1.031 706 V CA -1.333 60.946 62.300 -0.035 0.000 1.038 706 V CB 0.474 32.261 31.823 -0.060 0.000 0.981 706 V HN 0.539 nan 8.190 nan 0.000 0.478 707 P HA 0.181 nan 4.420 nan 0.000 0.266 707 P C -0.783 176.460 177.300 -0.095 0.000 1.215 707 P CA 0.253 63.301 63.100 -0.088 0.000 0.763 707 P CB 0.476 31.975 31.700 -0.335 0.000 0.806 708 V N 5.132 125.024 119.914 -0.038 0.000 2.559 708 V HA 0.212 4.331 4.120 -0.001 0.000 0.289 708 V C -0.798 175.218 176.094 -0.129 0.000 1.036 708 V CA -0.489 61.733 62.300 -0.129 0.000 0.887 708 V CB 1.070 32.766 31.823 -0.213 0.000 1.022 708 V HN 0.521 nan 8.190 nan 0.000 0.442 709 H N 3.763 122.678 119.070 -0.259 0.000 2.505 709 H HA 0.622 5.178 4.556 -0.001 0.000 0.338 709 H C -0.699 174.519 175.328 -0.182 0.000 1.057 709 H CA -0.632 55.310 56.048 -0.176 0.000 1.202 709 H CB 1.370 31.069 29.762 -0.105 0.000 1.466 709 H HN 0.511 nan 8.280 nan 0.000 0.499 710 F N 2.182 122.124 119.950 -0.014 0.000 2.384 710 F HA 0.366 4.892 4.527 -0.001 0.000 0.338 710 F C 0.514 176.221 175.800 -0.154 0.000 1.103 710 F CA -0.186 57.733 58.000 -0.135 0.000 1.157 710 F CB 0.970 39.888 39.000 -0.137 0.000 1.167 710 F HN 0.276 nan 8.300 nan 0.000 0.529 711 K N 3.386 123.757 120.400 -0.049 0.000 2.523 711 K HA 0.452 4.772 4.320 -0.001 0.000 0.257 711 K C -2.008 174.382 176.600 -0.351 0.000 0.932 711 K CA -0.604 55.624 56.287 -0.099 0.000 0.812 711 K CB 1.454 33.936 32.500 -0.029 0.000 1.326 711 K HN 0.440 nan 8.250 nan 0.000 0.433 712 F N 3.938 123.862 119.950 -0.044 0.000 2.436 712 F HA 0.502 5.028 4.527 -0.001 0.000 0.340 712 F C -0.385 175.392 175.800 -0.038 0.000 1.113 712 F CA -0.575 57.393 58.000 -0.053 0.000 1.022 712 F CB 1.233 40.179 39.000 -0.089 0.000 1.128 712 F HN 0.255 nan 8.300 nan 0.000 0.466 713 L N 2.522 123.799 121.223 0.089 0.000 2.277 713 L HA 0.652 4.991 4.340 -0.001 0.000 0.254 713 L C -1.153 175.721 176.870 0.006 0.000 1.044 713 L CA -1.026 53.817 54.840 0.005 0.000 0.842 713 L CB 2.268 44.266 42.059 -0.101 0.000 1.422 713 L HN 0.518 nan 8.230 nan 0.000 0.422 714 K N -0.664 119.696 120.400 -0.066 0.000 2.464 714 K HA 0.661 4.980 4.320 -0.001 0.000 0.253 714 K C -1.831 174.712 176.600 -0.095 0.000 0.933 714 K CA -0.784 55.495 56.287 -0.013 0.000 0.801 714 K CB 1.722 34.248 32.500 0.043 0.000 1.271 714 K HN 0.303 nan 8.250 nan 0.000 0.430 715 Y N 0.536 120.901 120.300 0.108 0.000 2.419 715 Y HA 0.560 5.109 4.550 -0.001 0.000 0.328 715 Y C 0.944 176.903 175.900 0.099 0.000 1.162 715 Y CA -0.145 58.029 58.100 0.124 0.000 1.174 715 Y CB 2.358 40.962 38.460 0.240 0.000 1.228 715 Y HN 0.927 nan 8.280 nan 0.000 0.473 716 G N 0.474 109.419 108.800 0.241 0.000 3.107 716 G HA2 0.641 4.600 3.960 -0.001 0.000 0.232 716 G HA3 0.641 4.600 3.960 -0.001 0.000 0.232 716 G C -1.500 173.469 174.900 0.114 0.000 1.339 716 G CA -0.732 44.452 45.100 0.140 0.000 1.033 716 G HN 0.429 nan 8.290 nan 0.000 0.567 717 V N -0.196 119.752 119.914 0.057 0.000 2.864 717 V HA 0.475 4.595 4.120 -0.001 0.000 0.314 717 V C -0.023 176.053 176.094 -0.030 0.000 1.073 717 V CA -0.891 61.422 62.300 0.020 0.000 0.956 717 V CB 1.937 33.778 31.823 0.029 0.000 1.023 717 V HN 0.680 nan 8.190 nan 0.000 0.435 718 R N 1.251 121.708 120.500 -0.072 0.000 2.590 718 R HA 0.183 4.522 4.340 -0.001 0.000 0.274 718 R C 1.218 177.431 176.300 -0.145 0.000 1.061 718 R CA 0.464 56.472 56.100 -0.152 0.000 1.081 718 R CB 0.582 30.769 30.300 -0.189 0.000 0.984 718 R HN 0.928 nan 8.270 nan 0.000 0.448 719 S N 1.510 117.086 115.700 -0.208 0.000 2.478 719 S HA -0.029 4.440 4.470 -0.001 0.000 0.222 719 S C 0.475 175.051 174.600 -0.039 0.000 1.008 719 S CA 0.029 58.177 58.200 -0.087 0.000 0.928 719 S CB -0.128 63.066 63.200 -0.011 0.000 0.781 719 S HN 0.755 nan 8.310 nan 0.000 0.518 720 H N -0.756 118.316 119.070 0.003 0.000 2.717 720 H HA 0.669 5.225 4.556 -0.001 0.000 0.366 720 H C 0.517 175.844 175.328 -0.002 0.000 1.132 720 H CA -0.522 55.526 56.048 0.001 0.000 1.180 720 H CB 1.195 30.957 29.762 0.000 0.000 1.678 720 H HN 0.428 nan 8.280 nan 0.000 0.537 721 G N 2.134 110.990 108.800 0.093 0.000 2.500 721 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.209 721 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.209 721 G C -1.284 173.617 174.900 0.001 0.000 1.283 721 G CA -0.526 44.601 45.100 0.045 0.000 0.960 721 G HN 0.709 nan 8.290 nan 0.000 0.528 722 D N 1.308 121.702 120.400 -0.010 0.000 2.382 722 D HA 0.436 5.075 4.640 -0.001 0.000 0.245 722 D C 0.878 177.160 176.300 -0.030 0.000 1.120 722 D CA 0.217 54.205 54.000 -0.020 0.000 0.890 722 D CB 0.550 41.337 40.800 -0.022 0.000 1.201 722 D HN 0.432 nan 8.370 nan 0.000 0.433 723 R N 1.201 121.688 120.500 -0.022 0.000 2.474 723 R HA 0.337 4.676 4.340 -0.001 0.000 0.295 723 R C 0.031 176.327 176.300 -0.008 0.000 0.980 723 R CA -0.635 55.456 56.100 -0.015 0.000 0.934 723 R CB 1.106 31.404 30.300 -0.002 0.000 1.101 723 R HN 0.299 nan 8.270 nan 0.000 0.469 724 S N 0.250 115.955 115.700 0.008 0.000 2.579 724 S HA 0.447 4.916 4.470 -0.001 0.000 0.275 724 S C 0.588 175.210 174.600 0.036 0.000 1.345 724 S CA 0.018 58.239 58.200 0.036 0.000 1.031 724 S CB 1.183 64.438 63.200 0.091 0.000 0.892 724 S HN 0.774 nan 8.310 nan 0.000 0.529 725 G N -0.168 108.655 108.800 0.037 0.000 2.815 725 G HA2 0.583 4.543 3.960 -0.001 0.000 0.305 725 G HA3 0.583 4.543 3.960 -0.001 0.000 0.305 725 G C 0.555 175.475 174.900 0.033 0.000 1.277 725 G CA -0.123 45.004 45.100 0.044 0.000 0.795 725 G HN 0.706 nan 8.290 nan 0.000 0.528 726 A N -1.271 121.553 122.820 0.006 0.000 1.978 726 A HA 0.038 4.358 4.320 -0.001 0.000 0.220 726 A C 1.902 179.387 177.584 -0.164 0.000 1.170 726 A CA 2.130 54.109 52.037 -0.096 0.000 0.636 726 A CB -0.633 18.240 19.000 -0.211 0.000 0.810 726 A HN 0.600 nan 8.150 nan 0.000 0.448 727 Y N -0.849 119.391 120.300 -0.100 0.000 2.353 727 Y HA 0.341 4.890 4.550 -0.001 0.000 0.294 727 Y C 0.908 176.702 175.900 -0.177 0.000 1.135 727 Y CA -0.035 57.938 58.100 -0.212 0.000 1.176 727 Y CB -0.169 37.806 38.460 -0.809 0.000 1.124 727 Y HN 0.021 nan 8.280 nan 0.000 0.537 728 L N 0.670 121.856 121.223 -0.060 0.000 2.350 728 L HA 0.191 4.531 4.340 -0.001 0.000 0.275 728 L C -0.874 176.052 176.870 0.092 0.000 1.099 728 L CA -0.258 54.552 54.840 -0.049 0.000 0.808 728 L CB 0.984 42.964 42.059 -0.133 0.000 1.149 728 L HN 0.124 nan 8.230 nan 0.000 0.442 729 F N 4.960 124.857 119.950 -0.090 0.000 2.347 729 F HA 0.466 4.992 4.527 -0.001 0.000 0.366 729 F C -0.607 175.116 175.800 -0.128 0.000 1.107 729 F CA -0.788 57.118 58.000 -0.157 0.000 1.058 729 F CB 0.684 39.522 39.000 -0.270 0.000 1.236 729 F HN 0.318 nan 8.300 nan 0.000 0.456 730 L N 8.947 130.069 121.223 -0.168 0.000 2.556 730 L HA 0.327 4.667 4.340 -0.001 0.000 0.243 730 L C -2.291 174.394 176.870 -0.309 0.000 1.331 730 L CA -1.897 52.786 54.840 -0.261 0.000 0.927 730 L CB 0.840 42.838 42.059 -0.102 0.000 1.219 730 L HN 0.421 nan 8.230 nan 0.000 0.490 731 P HA 0.005 nan 4.420 nan 0.000 0.269 731 P C -0.487 176.722 177.300 -0.152 0.000 1.215 731 P CA -0.190 62.711 63.100 -0.332 0.000 0.780 731 P CB 0.578 31.953 31.700 -0.541 0.000 0.898 732 N N 1.107 119.786 118.700 -0.034 0.000 3.209 732 N HA 0.279 5.018 4.740 -0.001 0.000 0.309 732 N C 0.675 176.186 175.510 0.003 0.000 1.384 732 N CA -0.167 52.860 53.050 -0.037 0.000 1.173 732 N CB -0.694 37.774 38.487 -0.032 0.000 1.460 732 N HN 0.746 nan 8.380 nan 0.000 0.534 733 G N 0.791 109.591 108.800 0.000 0.000 2.655 733 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.680 733 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.680 733 G C -3.096 171.875 174.900 0.119 0.000 1.302 733 G CA -1.125 43.994 45.100 0.033 0.000 0.872 733 G HN 0.343 nan 8.290 nan 0.000 0.540 734 P HA 0.460 nan 4.420 nan 0.000 0.269 734 P C 0.506 177.768 177.300 -0.064 0.000 1.217 734 P CA 0.655 63.818 63.100 0.106 0.000 0.783 734 P CB 0.415 32.141 31.700 0.043 0.000 0.898 735 A N 2.079 124.667 122.820 -0.387 0.000 2.425 735 A HA 0.375 4.695 4.320 -0.001 0.000 0.242 735 A C 0.204 177.632 177.584 -0.260 0.000 1.077 735 A CA 0.298 51.949 52.037 -0.643 0.000 0.781 735 A CB -0.270 18.072 19.000 -1.097 0.000 1.020 735 A HN 0.480 nan 8.150 nan 0.000 0.494 736 S N 2.368 117.957 115.700 -0.185 0.000 2.509 736 S HA 0.587 5.056 4.470 -0.001 0.000 0.297 736 S C -2.681 171.880 174.600 -0.065 0.000 1.118 736 S CA -0.999 57.149 58.200 -0.086 0.000 1.074 736 S CB 1.320 64.493 63.200 -0.045 0.000 1.038 736 S HN 0.568 nan 8.310 nan 0.000 0.498 737 P HA 0.148 nan 4.420 nan 0.000 0.271 737 P C -0.808 176.501 177.300 0.014 0.000 1.216 737 P CA -0.390 62.706 63.100 -0.006 0.000 0.776 737 P CB 0.361 32.064 31.700 0.005 0.000 0.881 738 V N 3.776 123.715 119.914 0.041 0.000 2.572 738 V HA 0.013 4.133 4.120 -0.001 0.000 0.291 738 V C 0.920 177.034 176.094 0.034 0.000 1.039 738 V CA 0.105 62.430 62.300 0.042 0.000 1.055 738 V CB 0.000 31.861 31.823 0.063 0.000 0.969 738 V HN 0.472 nan 8.190 nan 0.000 0.482 739 E N 4.647 124.860 120.200 0.023 0.000 2.217 739 E HA 0.153 4.503 4.350 -0.001 0.000 0.279 739 E C 0.655 177.264 176.600 0.015 0.000 1.068 739 E CA 0.078 56.490 56.400 0.020 0.000 0.882 739 E CB 1.151 30.862 29.700 0.018 0.000 1.039 739 E HN 0.536 nan 8.360 nan 0.000 0.418 740 L N 1.991 123.225 121.223 0.019 0.000 2.375 740 L HA 0.082 4.421 4.340 -0.001 0.000 0.215 740 L C 1.421 178.295 176.870 0.007 0.000 1.108 740 L CA 0.603 55.449 54.840 0.009 0.000 0.830 740 L CB -0.459 41.614 42.059 0.024 0.000 0.959 740 L HN 0.755 nan 8.230 nan 0.000 0.457 741 G N 0.771 109.580 108.800 0.015 0.000 2.528 741 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.262 741 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.262 741 G C -0.116 174.796 174.900 0.021 0.000 1.200 741 G CA -0.237 44.873 45.100 0.016 0.000 0.951 741 G HN 0.372 nan 8.290 nan 0.000 0.566 742 Q N 1.551 121.365 119.800 0.022 0.000 2.788 742 Q HA 0.355 4.695 4.340 -0.001 0.000 0.261 742 Q C -2.238 173.782 176.000 0.033 0.000 1.029 742 Q CA -1.461 54.359 55.803 0.029 0.000 0.848 742 Q CB 1.893 30.647 28.738 0.027 0.000 1.185 742 Q HN 0.623 nan 8.270 nan 0.000 0.482 743 P HA 0.049 nan 4.420 nan 0.000 0.269 743 P C -0.165 177.180 177.300 0.074 0.000 1.215 743 P CA -0.215 62.909 63.100 0.041 0.000 0.780 743 P CB 1.113 32.819 31.700 0.011 0.000 0.898 744 V N 2.625 122.616 119.914 0.129 0.000 2.530 744 V HA 0.128 4.247 4.120 -0.001 0.000 0.282 744 V C 0.576 176.801 176.094 0.219 0.000 1.048 744 V CA -0.254 62.147 62.300 0.169 0.000 0.997 744 V CB 1.238 33.198 31.823 0.228 0.000 0.987 744 V HN 0.279 nan 8.190 nan 0.000 0.477 745 V N 6.312 126.301 119.914 0.125 0.000 2.495 745 V HA 0.485 4.604 4.120 -0.001 0.000 0.298 745 V C -0.428 175.671 176.094 0.008 0.000 1.031 745 V CA -0.639 61.714 62.300 0.088 0.000 0.871 745 V CB 1.710 33.543 31.823 0.018 0.000 0.988 745 V HN 0.679 nan 8.190 nan 0.000 0.432 746 L N 6.503 127.726 121.223 0.001 0.000 2.305 746 L HA 0.737 5.076 4.340 -0.001 0.000 0.284 746 L C -0.678 176.066 176.870 -0.210 0.000 1.013 746 L CA 0.008 54.722 54.840 -0.210 0.000 0.819 746 L CB 1.748 43.576 42.059 -0.384 0.000 1.227 746 L HN 0.441 nan 8.230 nan 0.000 0.417 747 V N 4.101 123.883 119.914 -0.219 0.000 2.384 747 V HA 0.545 4.664 4.120 -0.001 0.000 0.287 747 V C -0.022 175.994 176.094 -0.129 0.000 1.020 747 V CA -0.384 61.810 62.300 -0.176 0.000 0.850 747 V CB 1.582 33.318 31.823 -0.146 0.000 0.987 747 V HN 0.841 nan 8.190 nan 0.000 0.436 748 T N 5.362 119.870 114.554 -0.077 0.000 2.770 748 T HA 0.428 4.778 4.350 -0.001 0.000 0.283 748 T C -0.388 174.335 174.700 0.039 0.000 0.988 748 T CA -0.556 61.555 62.100 0.018 0.000 0.957 748 T CB 1.119 70.035 68.868 0.081 0.000 0.930 748 T HN 0.650 nan 8.240 nan 0.000 0.443 749 K N 2.467 122.907 120.400 0.065 0.000 2.394 749 K HA 0.678 4.998 4.320 -0.001 0.000 0.260 749 K C -0.287 176.368 176.600 0.092 0.000 0.967 749 K CA -0.565 55.762 56.287 0.066 0.000 0.855 749 K CB 0.921 33.453 32.500 0.053 0.000 1.101 749 K HN 0.784 nan 8.250 nan 0.000 0.433 750 G N 2.307 111.159 108.800 0.086 0.000 2.658 750 G HA2 0.221 4.181 3.960 -0.001 0.000 0.292 750 G HA3 0.221 4.181 3.960 -0.001 0.000 0.292 750 G C -0.223 174.719 174.900 0.070 0.000 1.320 750 G CA -0.650 44.503 45.100 0.088 0.000 0.933 750 G HN 0.611 nan 8.290 nan 0.000 0.476 751 K N -0.522 119.915 120.400 0.061 0.000 2.155 751 K HA 0.098 4.417 4.320 -0.001 0.000 0.203 751 K C 1.889 178.522 176.600 0.055 0.000 1.052 751 K CA 0.895 57.214 56.287 0.054 0.000 0.948 751 K CB -0.030 32.498 32.500 0.047 0.000 0.728 751 K HN 0.307 nan 8.250 nan 0.000 0.448 752 L N -0.431 120.827 121.223 0.058 0.000 2.470 752 L HA 0.170 4.509 4.340 -0.001 0.000 0.219 752 L C 0.621 177.525 176.870 0.057 0.000 1.071 752 L CA 0.120 54.994 54.840 0.058 0.000 0.850 752 L CB 0.433 42.529 42.059 0.063 0.000 1.040 752 L HN 0.129 nan 8.230 nan 0.000 0.475 753 E N -0.257 119.981 120.200 0.064 0.000 2.321 753 E HA 0.411 4.760 4.350 -0.001 0.000 0.281 753 E C -1.481 175.163 176.600 0.072 0.000 0.910 753 E CA -0.215 56.224 56.400 0.065 0.000 0.770 753 E CB 2.188 31.926 29.700 0.064 0.000 1.225 753 E HN -0.119 nan 8.360 nan 0.000 0.417 754 S N 1.147 116.887 115.700 0.066 0.000 2.634 754 S HA 0.814 5.283 4.470 -0.001 0.000 0.296 754 S C -1.307 173.317 174.600 0.040 0.000 1.104 754 S CA -0.658 57.577 58.200 0.057 0.000 0.920 754 S CB 1.789 65.023 63.200 0.057 0.000 1.111 754 S HN 0.639 nan 8.310 nan 0.000 0.493 755 S N -0.352 115.346 115.700 -0.002 0.000 2.567 755 S HA 0.698 5.167 4.470 -0.001 0.000 0.270 755 S C -1.790 172.713 174.600 -0.160 0.000 1.152 755 S CA -0.750 57.422 58.200 -0.046 0.000 0.835 755 S CB 0.951 64.147 63.200 -0.007 0.000 1.115 755 S HN 0.473 nan 8.310 nan 0.000 0.459 756 V N 1.850 121.603 119.914 -0.268 0.000 2.444 756 V HA 0.751 4.871 4.120 -0.001 0.000 0.294 756 V C -0.510 175.440 176.094 -0.239 0.000 1.022 756 V CA -0.370 61.696 62.300 -0.391 0.000 0.850 756 V CB 1.643 32.908 31.823 -0.930 0.000 0.992 756 V HN 0.997 nan 8.190 nan 0.000 0.426 757 S N 3.263 118.882 115.700 -0.135 0.000 2.521 757 S HA 0.793 5.262 4.470 -0.001 0.000 0.295 757 S C -0.847 173.697 174.600 -0.093 0.000 1.098 757 S CA -0.631 57.507 58.200 -0.104 0.000 0.999 757 S CB 2.130 65.374 63.200 0.073 0.000 1.034 757 S HN 0.692 nan 8.310 nan 0.000 0.483 758 V N 1.994 121.727 119.914 -0.303 0.000 2.760 758 V HA 0.817 4.936 4.120 -0.001 0.000 0.309 758 V C -0.069 175.658 176.094 -0.613 0.000 1.077 758 V CA -0.432 61.696 62.300 -0.287 0.000 0.910 758 V CB 1.782 33.565 31.823 -0.066 0.000 1.008 758 V HN 0.995 nan 8.190 nan 0.000 0.424 759 G N 7.001 115.450 108.800 -0.585 0.000 2.530 759 G HA2 0.526 4.485 3.960 -0.001 0.000 0.313 759 G HA3 0.526 4.485 3.960 -0.001 0.000 0.313 759 G C -0.520 174.229 174.900 -0.251 0.000 0.971 759 G CA -0.323 44.475 45.100 -0.503 0.000 1.237 759 G HN 0.721 nan 8.290 nan 0.000 0.446 760 L N 2.776 123.813 121.223 -0.309 0.000 2.387 760 L HA 0.401 4.740 4.340 -0.001 0.000 0.266 760 L C -2.064 174.667 176.870 -0.231 0.000 1.059 760 L CA -2.338 52.352 54.840 -0.250 0.000 0.801 760 L CB 1.904 43.749 42.059 -0.357 0.000 1.223 760 L HN 0.196 nan 8.230 nan 0.000 0.456 761 P HA 0.095 nan 4.420 nan 0.000 0.267 761 P C 0.013 177.229 177.300 -0.140 0.000 1.209 761 P CA 0.412 63.438 63.100 -0.124 0.000 0.763 761 P CB 1.013 32.675 31.700 -0.065 0.000 0.816 762 S N -0.136 115.498 115.700 -0.110 0.000 2.857 762 S HA -0.109 4.361 4.470 -0.001 0.000 0.268 762 S C 0.168 174.673 174.600 -0.158 0.000 1.297 762 S CA 1.217 59.362 58.200 -0.092 0.000 1.280 762 S CB -1.488 61.681 63.200 -0.052 0.000 1.562 762 S HN 0.391 nan 8.310 nan 0.000 0.661 763 V N 1.146 120.899 119.914 -0.267 0.000 2.697 763 V HA 0.446 4.565 4.120 -0.001 0.000 0.300 763 V C -0.324 175.529 176.094 -0.402 0.000 1.115 763 V CA -0.789 61.302 62.300 -0.348 0.000 0.912 763 V CB 2.110 33.567 31.823 -0.609 0.000 1.024 763 V HN 0.081 nan 8.190 nan 0.000 0.431 764 V N 4.095 123.783 119.914 -0.377 0.000 2.334 764 V HA 0.326 4.445 4.120 -0.001 0.000 0.267 764 V C -0.183 175.688 176.094 -0.372 0.000 1.040 764 V CA -0.356 61.612 62.300 -0.555 0.000 0.866 764 V CB 0.843 32.242 31.823 -0.707 0.000 1.019 764 V HN 0.923 nan 8.190 nan 0.000 0.468 765 H N 4.834 123.638 119.070 -0.444 0.000 2.517 765 H HA 0.610 5.165 4.556 -0.001 0.000 0.317 765 H C -0.371 174.840 175.328 -0.196 0.000 1.080 765 H CA -0.280 55.613 56.048 -0.257 0.000 1.301 765 H CB 0.996 30.631 29.762 -0.211 0.000 1.425 765 H HN 0.673 nan 8.280 nan 0.000 0.471 766 Q N 3.265 122.766 119.800 -0.500 0.000 2.323 766 Q HA 0.399 4.738 4.340 -0.001 0.000 0.271 766 Q C -1.039 174.767 176.000 -0.325 0.000 1.048 766 Q CA -0.962 54.634 55.803 -0.346 0.000 0.792 766 Q CB 2.436 31.076 28.738 -0.163 0.000 1.280 766 Q HN 0.613 nan 8.270 nan 0.000 0.441 767 T N 2.958 117.401 114.554 -0.185 0.000 2.772 767 T HA 0.563 4.913 4.350 -0.001 0.000 0.288 767 T C -0.332 174.398 174.700 0.050 0.000 0.994 767 T CA -0.407 61.702 62.100 0.016 0.000 0.951 767 T CB 0.281 69.329 68.868 0.300 0.000 0.933 767 T HN 0.373 nan 8.240 nan 0.000 0.447 768 I N 3.807 124.418 120.570 0.068 0.000 2.404 768 I HA 0.480 4.649 4.170 -0.001 0.000 0.293 768 I C -0.190 175.981 176.117 0.090 0.000 0.992 768 I CA -0.754 60.586 61.300 0.065 0.000 1.149 768 I CB 1.650 39.680 38.000 0.050 0.000 1.315 768 I HN 0.393 nan 8.210 nan 0.000 0.446 769 M N 6.023 125.675 119.600 0.087 0.000 2.243 769 M HA 0.477 4.957 4.480 -0.001 0.000 0.324 769 M C 0.179 176.520 176.300 0.068 0.000 1.031 769 M CA -0.285 55.068 55.300 0.089 0.000 0.949 769 M CB 2.065 34.731 32.600 0.110 0.000 1.615 769 M HN 0.462 nan 8.290 nan 0.000 0.430 770 R N 1.195 121.730 120.500 0.058 0.000 2.572 770 R HA 0.368 4.707 4.340 -0.001 0.000 0.370 770 R C 0.779 177.106 176.300 0.045 0.000 1.005 770 R CA 0.220 56.349 56.100 0.048 0.000 1.146 770 R CB 1.103 31.425 30.300 0.037 0.000 1.390 770 R HN 1.139 nan 8.270 nan 0.000 0.553 771 G N -0.324 108.504 108.800 0.048 0.000 2.255 771 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.196 771 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.196 771 G C 0.306 175.225 174.900 0.033 0.000 0.998 771 G CA -0.394 44.730 45.100 0.040 0.000 0.656 771 G HN 0.517 nan 8.290 nan 0.000 0.490 772 G N -0.029 108.791 108.800 0.035 0.000 3.252 772 G HA2 0.797 4.757 3.960 -0.001 0.000 0.181 772 G HA3 0.797 4.757 3.960 -0.001 0.000 0.181 772 G C 0.434 175.354 174.900 0.032 0.000 1.187 772 G CA 0.430 45.547 45.100 0.027 0.000 0.886 772 G HN 1.512 nan 8.290 nan 0.000 0.615 773 A N 1.349 124.186 122.820 0.028 0.000 2.540 773 A HA 0.530 4.849 4.320 -0.001 0.000 0.239 773 A C -1.739 175.882 177.584 0.061 0.000 1.061 773 A CA -0.488 51.570 52.037 0.036 0.000 0.758 773 A CB -0.385 18.634 19.000 0.033 0.000 0.991 773 A HN 0.397 nan 8.150 nan 0.000 0.502 774 P HA 0.154 nan 4.420 nan 0.000 0.272 774 P C -0.511 176.863 177.300 0.123 0.000 1.240 774 P CA -0.198 62.967 63.100 0.108 0.000 0.791 774 P CB 0.664 32.449 31.700 0.142 0.000 0.978 775 E N 1.115 121.386 120.200 0.118 0.000 2.179 775 E HA 0.410 4.760 4.350 -0.001 0.000 0.275 775 E C -0.876 175.808 176.600 0.139 0.000 0.945 775 E CA -0.725 55.750 56.400 0.125 0.000 0.792 775 E CB 0.631 30.380 29.700 0.082 0.000 1.125 775 E HN 0.202 nan 8.360 nan 0.000 0.397 776 I N 4.107 124.797 120.570 0.200 0.000 2.404 776 I HA 0.425 4.594 4.170 -0.001 0.000 0.293 776 I C -0.045 176.203 176.117 0.218 0.000 0.992 776 I CA -0.630 60.769 61.300 0.165 0.000 1.149 776 I CB 1.312 39.432 38.000 0.200 0.000 1.315 776 I HN 0.583 nan 8.210 nan 0.000 0.446 777 R N 4.503 125.056 120.500 0.088 0.000 2.561 777 R HA 0.501 4.840 4.340 -0.001 0.000 0.297 777 R C -0.942 175.412 176.300 0.090 0.000 0.969 777 R CA -0.877 55.290 56.100 0.111 0.000 0.879 777 R CB 2.109 32.431 30.300 0.036 0.000 1.178 777 R HN 0.452 nan 8.270 nan 0.000 0.445 778 N N 2.502 121.315 118.700 0.188 0.000 2.443 778 N HA 0.195 4.934 4.740 -0.001 0.000 0.269 778 N C -1.323 174.203 175.510 0.027 0.000 0.985 778 N CA -0.679 52.459 53.050 0.146 0.000 0.921 778 N CB 1.781 40.464 38.487 0.327 0.000 1.195 778 N HN 0.323 nan 8.380 nan 0.000 0.492 779 L N 3.890 125.067 121.223 -0.077 0.000 2.282 779 L HA 0.383 4.722 4.340 -0.001 0.000 0.287 779 L C -0.992 175.809 176.870 -0.115 0.000 1.075 779 L CA -0.475 54.301 54.840 -0.106 0.000 0.839 779 L CB 0.425 42.406 42.059 -0.130 0.000 1.219 779 L HN 0.207 nan 8.230 nan 0.000 0.434 780 V N 4.630 124.482 119.914 -0.104 0.000 2.364 780 V HA 0.368 4.487 4.120 -0.001 0.000 0.272 780 V C -0.405 175.657 176.094 -0.054 0.000 1.036 780 V CA -0.455 61.801 62.300 -0.072 0.000 0.880 780 V CB 1.216 33.022 31.823 -0.029 0.000 0.991 780 V HN 0.707 nan 8.190 nan 0.000 0.460 781 D N 4.102 124.477 120.400 -0.042 0.000 2.375 781 D HA 0.245 4.884 4.640 -0.001 0.000 0.259 781 D C 0.466 176.769 176.300 0.004 0.000 1.235 781 D CA -0.422 53.569 54.000 -0.016 0.000 0.924 781 D CB 1.313 42.104 40.800 -0.014 0.000 1.143 781 D HN 0.462 nan 8.370 nan 0.000 0.529 782 I N 2.494 123.077 120.570 0.022 0.000 3.334 782 I HA 0.067 4.237 4.170 -0.001 0.000 0.282 782 I C 1.469 177.609 176.117 0.037 0.000 1.313 782 I CA 0.985 62.307 61.300 0.036 0.000 1.396 782 I CB -0.293 37.741 38.000 0.056 0.000 1.054 782 I HN 0.614 nan 8.210 nan 0.000 0.495 783 G N 1.129 109.948 108.800 0.031 0.000 2.698 783 G HA2 -0.489 3.471 3.960 -0.001 0.000 0.337 783 G HA3 -0.489 3.471 3.960 -0.001 0.000 0.337 783 G C 0.680 175.598 174.900 0.030 0.000 1.286 783 G CA 0.743 45.861 45.100 0.030 0.000 1.000 783 G HN 0.714 nan 8.290 nan 0.000 0.547 784 S N -0.130 115.588 115.700 0.030 0.000 2.561 784 S HA 0.555 5.025 4.470 -0.001 0.000 0.245 784 S C 0.704 175.325 174.600 0.034 0.000 1.001 784 S CA -0.060 58.157 58.200 0.028 0.000 1.002 784 S CB 0.095 63.307 63.200 0.020 0.000 0.805 784 S HN 0.638 nan 8.310 nan 0.000 0.458 785 L N 2.958 124.205 121.223 0.041 0.000 2.505 785 L HA 0.268 4.608 4.340 -0.001 0.000 0.279 785 L C -0.280 176.619 176.870 0.048 0.000 1.211 785 L CA -0.304 54.562 54.840 0.044 0.000 1.059 785 L CB -0.632 41.456 42.059 0.048 0.000 1.340 785 L HN 0.169 nan 8.230 nan 0.000 0.447 786 D N 2.867 123.292 120.400 0.043 0.000 2.400 786 D HA -0.014 4.625 4.640 -0.001 0.000 0.238 786 D C 0.701 177.032 176.300 0.050 0.000 1.157 786 D CA 0.257 54.284 54.000 0.044 0.000 0.889 786 D CB 0.340 41.162 40.800 0.036 0.000 1.199 786 D HN 0.325 nan 8.370 nan 0.000 0.436 787 N N 0.576 119.308 118.700 0.055 0.000 2.705 787 N HA -0.182 4.557 4.740 -0.001 0.000 0.255 787 N C -0.912 174.646 175.510 0.079 0.000 1.008 787 N CA 0.869 53.956 53.050 0.062 0.000 0.742 787 N CB -1.114 37.402 38.487 0.050 0.000 0.906 787 N HN 0.282 nan 8.380 nan 0.000 0.541 788 T N 0.469 115.076 114.554 0.088 0.000 2.916 788 T HA 0.413 4.762 4.350 -0.001 0.000 0.298 788 T C -0.245 174.529 174.700 0.124 0.000 1.031 788 T CA -0.705 61.459 62.100 0.107 0.000 0.993 788 T CB 2.365 71.285 68.868 0.086 0.000 1.045 788 T HN 0.027 nan 8.240 nan 0.000 0.454 789 E N 2.378 122.680 120.200 0.170 0.000 2.199 789 E HA 0.438 4.788 4.350 -0.001 0.000 0.265 789 E C -0.750 175.975 176.600 0.209 0.000 0.882 789 E CA -0.618 55.880 56.400 0.163 0.000 0.759 789 E CB 2.306 32.085 29.700 0.131 0.000 1.148 789 E HN 0.491 nan 8.360 nan 0.000 0.412 790 I N 2.862 123.541 120.570 0.181 0.000 2.315 790 I HA 0.231 4.400 4.170 -0.001 0.000 0.291 790 I C -0.211 176.051 176.117 0.242 0.000 1.006 790 I CA -0.766 60.654 61.300 0.201 0.000 1.265 790 I CB 1.382 39.490 38.000 0.181 0.000 1.387 790 I HN 0.186 nan 8.210 nan 0.000 0.475 791 V N 8.131 128.189 119.914 0.241 0.000 2.628 791 V HA 0.510 4.629 4.120 -0.001 0.000 0.306 791 V C -0.471 175.674 176.094 0.086 0.000 1.045 791 V CA -0.724 61.706 62.300 0.217 0.000 0.905 791 V CB 2.008 34.016 31.823 0.308 0.000 0.997 791 V HN 0.764 nan 8.190 nan 0.000 0.436 792 M N 7.338 126.924 119.600 -0.023 0.000 2.149 792 M HA 0.579 5.058 4.480 -0.001 0.000 0.342 792 M C -0.605 175.579 176.300 -0.194 0.000 1.068 792 M CA -0.412 54.659 55.300 -0.381 0.000 0.991 792 M CB 0.635 32.993 32.600 -0.403 0.000 1.596 792 M HN 0.757 nan 8.290 nan 0.000 0.439 793 R N 4.548 124.925 120.500 -0.205 0.000 2.711 793 R HA 0.715 5.054 4.340 -0.001 0.000 0.284 793 R C -1.948 174.318 176.300 -0.056 0.000 0.968 793 R CA -0.639 55.410 56.100 -0.084 0.000 0.924 793 R CB 1.553 31.812 30.300 -0.068 0.000 1.162 793 R HN 0.816 nan 8.270 nan 0.000 0.465 794 L N 3.113 124.274 121.223 -0.104 0.000 2.313 794 L HA 0.422 4.762 4.340 -0.001 0.000 0.283 794 L C -0.550 176.235 176.870 -0.142 0.000 1.013 794 L CA -0.410 54.300 54.840 -0.217 0.000 0.816 794 L CB 1.954 43.825 42.059 -0.313 0.000 1.236 794 L HN 0.607 nan 8.230 nan 0.000 0.419 795 E N 2.173 122.297 120.200 -0.126 0.000 2.145 795 E HA 0.491 4.840 4.350 -0.001 0.000 0.270 795 E C -0.584 175.940 176.600 -0.126 0.000 0.906 795 E CA -0.436 55.903 56.400 -0.101 0.000 0.761 795 E CB 2.056 31.691 29.700 -0.108 0.000 1.116 795 E HN 0.621 nan 8.360 nan 0.000 0.408 796 T N -1.065 113.436 114.554 -0.089 0.000 2.804 796 T HA 0.336 4.685 4.350 -0.001 0.000 0.290 796 T C 0.155 174.877 174.700 0.036 0.000 1.099 796 T CA -0.692 61.333 62.100 -0.125 0.000 1.011 796 T CB 1.066 69.883 68.868 -0.084 0.000 1.291 796 T HN 0.583 nan 8.240 nan 0.000 0.523 797 H N -0.746 118.306 119.070 -0.030 0.000 2.542 797 H HA 0.418 4.973 4.556 -0.001 0.000 0.283 797 H C 0.151 175.473 175.328 -0.010 0.000 1.059 797 H CA -0.612 55.422 56.048 -0.023 0.000 1.162 797 H CB 0.141 29.891 29.762 -0.019 0.000 1.539 797 H HN 0.329 nan 8.280 nan 0.000 0.543 798 I N 1.992 122.618 120.570 0.094 0.000 2.752 798 I HA -0.145 4.024 4.170 -0.001 0.000 0.289 798 I C 0.570 176.727 176.117 0.065 0.000 1.197 798 I CA 0.409 61.748 61.300 0.064 0.000 1.432 798 I CB 0.392 38.421 38.000 0.049 0.000 1.359 798 I HN 0.200 nan 8.210 nan 0.000 0.571 799 D N 4.763 125.198 120.400 0.058 0.000 2.713 799 D HA 0.035 4.674 4.640 -0.001 0.000 0.229 799 D C 1.226 177.564 176.300 0.063 0.000 1.136 799 D CA -0.037 53.993 54.000 0.051 0.000 1.010 799 D CB 0.336 41.160 40.800 0.039 0.000 1.084 799 D HN 0.548 nan 8.370 nan 0.000 0.495 800 S N 0.329 116.073 115.700 0.073 0.000 2.496 800 S HA 0.237 4.707 4.470 -0.001 0.000 0.224 800 S C 1.606 176.258 174.600 0.086 0.000 0.996 800 S CA 0.314 58.572 58.200 0.097 0.000 0.927 800 S CB -0.154 63.118 63.200 0.118 0.000 0.774 800 S HN 0.530 nan 8.310 nan 0.000 0.524 801 G N 3.189 112.026 108.800 0.063 0.000 2.574 801 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.301 801 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.301 801 G C 0.160 175.100 174.900 0.067 0.000 1.166 801 G CA 0.583 45.715 45.100 0.055 0.000 0.971 801 G HN 0.770 nan 8.290 nan 0.000 0.542 802 D N 0.263 120.708 120.400 0.074 0.000 2.440 802 D HA 0.342 4.981 4.640 -0.001 0.000 0.216 802 D C 0.724 177.108 176.300 0.140 0.000 1.150 802 D CA -0.205 53.857 54.000 0.103 0.000 0.832 802 D CB 0.239 41.085 40.800 0.077 0.000 0.992 802 D HN 0.473 nan 8.370 nan 0.000 0.502 803 I N 1.485 122.125 120.570 0.116 0.000 2.437 803 I HA 0.491 4.660 4.170 -0.001 0.000 0.298 803 I C -0.130 176.085 176.117 0.163 0.000 0.984 803 I CA -1.025 60.298 61.300 0.039 0.000 1.214 803 I CB 0.660 38.649 38.000 -0.018 0.000 1.365 803 I HN -0.000 nan 8.210 nan 0.000 0.469 804 F N 4.126 123.902 119.950 -0.289 0.000 2.711 804 F HA 0.677 5.203 4.527 -0.001 0.000 0.313 804 F C -2.019 173.437 175.800 -0.573 0.000 1.141 804 F CA -1.174 56.683 58.000 -0.239 0.000 0.941 804 F CB 1.540 40.467 39.000 -0.123 0.000 1.349 804 F HN 0.158 nan 8.300 nan 0.000 0.464 805 Y N 0.212 120.286 120.300 -0.376 0.000 2.462 805 Y HA 0.691 5.240 4.550 -0.001 0.000 0.346 805 Y C 0.036 175.768 175.900 -0.280 0.000 0.976 805 Y CA -0.755 56.986 58.100 -0.597 0.000 1.044 805 Y CB 2.436 40.123 38.460 -1.287 0.000 1.230 805 Y HN 0.863 nan 8.280 nan 0.000 0.455 806 T N -1.459 113.022 114.554 -0.122 0.000 2.901 806 T HA 0.502 4.852 4.350 -0.001 0.000 0.293 806 T C -1.093 173.424 174.700 -0.306 0.000 1.084 806 T CA -1.070 60.981 62.100 -0.081 0.000 1.008 806 T CB 2.078 70.876 68.868 -0.117 0.000 1.170 806 T HN 0.575 nan 8.240 nan 0.000 0.509 807 D N 0.873 120.936 120.400 -0.561 0.000 2.332 807 D HA 0.405 5.044 4.640 -0.001 0.000 0.252 807 D C -0.640 175.389 176.300 -0.453 0.000 1.050 807 D CA -0.844 52.625 54.000 -0.886 0.000 0.970 807 D CB 1.296 41.306 40.800 -1.315 0.000 1.141 807 D HN 0.556 nan 8.370 nan 0.000 0.485 808 L N 0.807 121.810 121.223 -0.366 0.000 2.316 808 L HA 0.224 4.563 4.340 -0.001 0.000 0.280 808 L C -0.144 176.606 176.870 -0.200 0.000 1.006 808 L CA -0.816 53.902 54.840 -0.204 0.000 0.836 808 L CB 0.557 42.561 42.059 -0.093 0.000 1.221 808 L HN 0.443 nan 8.230 nan 0.000 0.418 809 N N 2.146 120.734 118.700 -0.186 0.000 2.708 809 N HA -0.233 4.506 4.740 -0.001 0.000 0.249 809 N C 0.975 176.268 175.510 -0.361 0.000 1.097 809 N CA 0.893 53.828 53.050 -0.192 0.000 0.710 809 N CB -1.041 37.416 38.487 -0.050 0.000 1.032 809 N HN 1.084 nan 8.380 nan 0.000 0.551 810 G N -1.549 107.042 108.800 -0.349 0.000 2.187 810 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.261 810 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.261 810 G C 0.613 175.496 174.900 -0.029 0.000 1.000 810 G CA 0.703 45.629 45.100 -0.290 0.000 0.718 810 G HN 0.511 nan 8.290 nan 0.000 0.519 811 L N -0.714 120.436 121.223 -0.121 0.000 2.577 811 L HA 0.494 4.834 4.340 -0.001 0.000 0.225 811 L C 0.934 177.693 176.870 -0.185 0.000 1.053 811 L CA 1.832 56.522 54.840 -0.250 0.000 0.866 811 L CB 0.183 41.943 42.059 -0.498 0.000 1.132 811 L HN 0.699 nan 8.230 nan 0.000 0.486 812 Q N -1.769 117.926 119.800 -0.175 0.000 2.522 812 Q HA 0.354 4.693 4.340 -0.001 0.000 0.285 812 Q C -1.690 174.198 176.000 -0.187 0.000 0.982 812 Q CA -0.752 55.011 55.803 -0.067 0.000 0.805 812 Q CB 1.072 29.820 28.738 0.017 0.000 1.457 812 Q HN -0.046 nan 8.270 nan 0.000 0.394 813 F N 1.229 121.141 119.950 -0.064 0.000 2.436 813 F HA 0.611 5.137 4.527 -0.001 0.000 0.340 813 F C -0.182 175.589 175.800 -0.049 0.000 1.113 813 F CA -0.857 57.121 58.000 -0.036 0.000 1.022 813 F CB 1.702 40.729 39.000 0.046 0.000 1.128 813 F HN 0.534 nan 8.300 nan 0.000 0.466 814 I N 3.731 124.306 120.570 0.008 0.000 2.474 814 I HA 0.340 4.509 4.170 -0.001 0.000 0.294 814 I C -0.516 175.456 176.117 -0.242 0.000 1.005 814 I CA -0.889 60.365 61.300 -0.077 0.000 1.113 814 I CB 1.325 39.231 38.000 -0.157 0.000 1.289 814 I HN 0.510 nan 8.210 nan 0.000 0.436 815 K N 6.752 126.965 120.400 -0.310 0.000 2.368 815 K HA 0.272 4.591 4.320 -0.001 0.000 0.282 815 K C -0.870 175.269 176.600 -0.768 0.000 1.035 815 K CA -0.351 55.473 56.287 -0.772 0.000 0.973 815 K CB 0.527 32.720 32.500 -0.512 0.000 0.957 815 K HN 0.508 nan 8.250 nan 0.000 0.474 816 R N 3.194 123.058 120.500 -1.059 0.000 2.711 816 R HA 0.361 4.700 4.340 -0.001 0.000 0.284 816 R C -0.572 175.233 176.300 -0.825 0.000 0.968 816 R CA -0.816 54.602 56.100 -1.138 0.000 0.924 816 R CB 1.585 30.644 30.300 -2.069 0.000 1.162 816 R HN 0.676 nan 8.270 nan 0.000 0.465 817 R N 1.497 121.728 120.500 -0.448 0.000 2.476 817 R HA 0.292 4.632 4.340 -0.001 0.000 0.305 817 R C -0.525 175.824 176.300 0.082 0.000 0.965 817 R CA -0.657 55.359 56.100 -0.140 0.000 0.867 817 R CB 1.516 31.773 30.300 -0.072 0.000 1.176 817 R HN 0.546 nan 8.270 nan 0.000 0.447 818 R N 4.942 125.596 120.500 0.255 0.000 2.522 818 R HA 0.119 4.458 4.340 -0.001 0.000 0.284 818 R C -0.934 175.454 176.300 0.148 0.000 1.032 818 R CA 0.204 56.486 56.100 0.303 0.000 1.049 818 R CB 0.413 30.867 30.300 0.258 0.000 0.956 818 R HN 0.542 nan 8.270 nan 0.000 0.422 819 L N 5.097 126.384 121.223 0.107 0.000 2.316 819 L HA 0.221 4.560 4.340 -0.001 0.000 0.280 819 L C 0.150 177.013 176.870 -0.012 0.000 1.006 819 L CA -0.686 54.171 54.840 0.028 0.000 0.836 819 L CB 1.922 43.966 42.059 -0.024 0.000 1.221 819 L HN 0.661 nan 8.230 nan 0.000 0.418 820 D N 1.654 122.055 120.400 0.000 0.000 2.348 820 D HA -0.114 4.526 4.640 -0.001 0.000 0.216 820 D C 1.695 177.977 176.300 -0.031 0.000 0.970 820 D CA 0.780 54.774 54.000 -0.009 0.000 0.889 820 D CB 0.365 41.169 40.800 0.006 0.000 0.912 820 D HN 0.559 nan 8.370 nan 0.000 0.524 821 K N 0.242 120.615 120.400 -0.044 0.000 2.486 821 K HA 0.024 4.343 4.320 -0.001 0.000 0.194 821 K C 0.644 177.181 176.600 -0.104 0.000 1.033 821 K CA 0.308 56.566 56.287 -0.049 0.000 1.004 821 K CB 0.351 32.836 32.500 -0.025 0.000 0.798 821 K HN 0.104 nan 8.250 nan 0.000 0.495 822 L N 2.285 123.410 121.223 -0.164 0.000 2.330 822 L HA 0.467 4.807 4.340 -0.001 0.000 0.271 822 L C -2.257 174.506 176.870 -0.178 0.000 1.013 822 L CA -2.914 51.787 54.840 -0.233 0.000 0.816 822 L CB 1.489 43.307 42.059 -0.400 0.000 1.287 822 L HN -0.056 nan 8.230 nan 0.000 0.435 823 P HA 0.020 nan 4.420 nan 0.000 0.272 823 P C 0.856 178.029 177.300 -0.213 0.000 1.240 823 P CA -0.353 62.648 63.100 -0.165 0.000 0.791 823 P CB 1.291 32.920 31.700 -0.119 0.000 0.978 824 L N 1.015 122.142 121.223 -0.160 0.000 2.021 824 L HA -0.281 4.059 4.340 -0.001 0.000 0.215 824 L C 2.536 179.315 176.870 -0.152 0.000 1.074 824 L CA 1.954 56.722 54.840 -0.120 0.000 0.760 824 L CB -0.650 41.333 42.059 -0.127 0.000 0.889 824 L HN 0.442 nan 8.230 nan 0.000 0.433 825 Q N -0.356 119.244 119.800 -0.333 0.000 2.291 825 Q HA -0.171 4.168 4.340 -0.001 0.000 0.206 825 Q C 1.846 177.741 176.000 -0.174 0.000 0.976 825 Q CA 1.498 57.144 55.803 -0.262 0.000 0.875 825 Q CB -0.494 28.023 28.738 -0.369 0.000 0.927 825 Q HN 0.613 nan 8.270 nan 0.000 0.450 826 A N 1.408 123.907 122.820 -0.535 0.000 2.067 826 A HA -0.029 4.290 4.320 -0.001 0.000 0.217 826 A C 1.633 179.030 177.584 -0.311 0.000 1.156 826 A CA 0.668 52.217 52.037 -0.814 0.000 0.683 826 A CB -0.163 17.947 19.000 -1.484 0.000 0.808 826 A HN 0.332 nan 8.150 nan 0.000 0.455 827 N N -1.115 117.515 118.700 -0.116 0.000 2.398 827 N HA 0.053 4.792 4.740 -0.001 0.000 0.188 827 N C -0.858 174.744 175.510 0.154 0.000 1.122 827 N CA 0.212 53.311 53.050 0.081 0.000 0.866 827 N CB 0.053 38.640 38.487 0.166 0.000 0.970 827 N HN 0.452 nan 8.380 nan 0.000 0.462 828 Y N 0.238 120.493 120.300 -0.075 0.000 2.304 828 Y HA 0.212 4.762 4.550 -0.001 0.000 0.328 828 Y C -0.191 175.655 175.900 -0.090 0.000 1.123 828 Y CA -0.177 57.965 58.100 0.070 0.000 1.218 828 Y CB 0.401 38.966 38.460 0.175 0.000 1.207 828 Y HN -0.066 nan 8.280 nan 0.000 0.495 829 Y N 3.180 123.640 120.300 0.267 0.000 2.605 829 Y HA 0.453 5.002 4.550 -0.001 0.000 0.343 829 Y C -2.296 173.344 175.900 -0.434 0.000 1.036 829 Y CA -2.852 55.273 58.100 0.041 0.000 1.065 829 Y CB 1.532 39.987 38.460 -0.009 0.000 1.288 829 Y HN 0.454 nan 8.280 nan 0.000 0.481 830 P HA 0.107 nan 4.420 nan 0.000 0.268 830 P C -0.723 176.339 177.300 -0.397 0.000 1.205 830 P CA 0.252 62.747 63.100 -1.008 0.000 0.771 830 P CB 0.507 31.540 31.700 -1.113 0.000 0.858 831 I N 4.982 125.403 120.570 -0.249 0.000 2.778 831 I HA 0.165 4.334 4.170 -0.001 0.000 0.285 831 I C -1.640 174.409 176.117 -0.113 0.000 1.236 831 I CA -2.534 58.694 61.300 -0.121 0.000 1.089 831 I CB 0.699 38.687 38.000 -0.019 0.000 1.601 831 I HN 0.217 nan 8.210 nan 0.000 0.573 832 P HA -0.090 nan 4.420 nan 0.000 0.220 832 P C 1.002 178.274 177.300 -0.046 0.000 1.148 832 P CA 1.349 64.376 63.100 -0.120 0.000 0.803 832 P CB 0.582 32.180 31.700 -0.171 0.000 0.782 833 S N -3.683 111.997 115.700 -0.034 0.000 2.551 833 S HA 0.433 4.902 4.470 -0.001 0.000 0.276 833 S C 0.507 175.206 174.600 0.164 0.000 1.051 833 S CA 0.277 58.517 58.200 0.067 0.000 1.377 833 S CB 0.249 63.511 63.200 0.103 0.000 1.208 833 S HN 0.341 nan 8.310 nan 0.000 0.656 834 G N 1.660 110.561 108.800 0.168 0.000 2.547 834 G HA2 0.576 4.535 3.960 -0.001 0.000 0.291 834 G HA3 0.576 4.535 3.960 -0.001 0.000 0.291 834 G C -1.397 173.764 174.900 0.435 0.000 1.471 834 G CA -0.472 44.858 45.100 0.382 0.000 0.798 834 G HN 0.863 nan 8.290 nan 0.000 0.504 835 M N -0.373 119.498 119.600 0.452 0.000 2.578 835 M HA 0.903 5.383 4.480 -0.001 0.000 0.276 835 M C -1.744 174.807 176.300 0.418 0.000 1.245 835 M CA -1.034 54.492 55.300 0.377 0.000 0.871 835 M CB 2.598 35.330 32.600 0.220 0.000 1.722 835 M HN 1.195 nan 8.290 nan 0.000 0.473 836 F N 0.872 120.979 119.950 0.261 0.000 2.693 836 F HA 0.883 5.409 4.527 -0.001 0.000 0.309 836 F C -1.940 174.002 175.800 0.237 0.000 1.129 836 F CA -1.215 56.878 58.000 0.156 0.000 0.948 836 F CB 1.061 40.066 39.000 0.009 0.000 1.315 836 F HN 0.784 nan 8.300 nan 0.000 0.447 837 I N 0.003 120.823 120.570 0.417 0.000 2.785 837 I HA 0.896 5.066 4.170 -0.001 0.000 0.302 837 I C -1.352 174.958 176.117 0.323 0.000 1.069 837 I CA -0.863 60.639 61.300 0.338 0.000 1.045 837 I CB 2.374 40.485 38.000 0.185 0.000 1.236 837 I HN 0.951 nan 8.210 nan 0.000 0.429 838 E N 2.221 122.595 120.200 0.289 0.000 2.430 838 E HA 0.564 4.913 4.350 -0.001 0.000 0.279 838 E C -2.031 174.653 176.600 0.141 0.000 1.003 838 E CA -0.845 55.663 56.400 0.180 0.000 0.801 838 E CB 2.202 31.996 29.700 0.156 0.000 1.313 838 E HN 0.732 nan 8.360 nan 0.000 0.459 839 D N 0.383 120.835 120.400 0.086 0.000 2.784 839 D HA 0.453 5.092 4.640 -0.001 0.000 0.256 839 D C 0.826 177.156 176.300 0.050 0.000 1.129 839 D CA -0.202 53.842 54.000 0.072 0.000 1.102 839 D CB 0.012 40.846 40.800 0.057 0.000 1.330 839 D HN 0.450 nan 8.370 nan 0.000 0.626 840 A N -0.768 122.074 122.820 0.037 0.000 2.019 840 A HA -0.139 4.181 4.320 -0.001 0.000 0.219 840 A C 1.462 179.051 177.584 0.008 0.000 1.164 840 A CA 1.454 53.505 52.037 0.023 0.000 0.644 840 A CB -0.697 18.315 19.000 0.020 0.000 0.805 840 A HN 0.507 nan 8.150 nan 0.000 0.449 841 N N -1.735 116.969 118.700 0.006 0.000 2.397 841 N HA 0.067 4.806 4.740 -0.001 0.000 0.190 841 N C -0.388 175.112 175.510 -0.018 0.000 1.099 841 N CA 0.719 53.764 53.050 -0.008 0.000 0.876 841 N CB 0.609 39.093 38.487 -0.004 0.000 1.143 841 N HN 0.289 nan 8.380 nan 0.000 0.468 842 T N 0.682 115.231 114.554 -0.009 0.000 2.876 842 T HA 0.471 4.820 4.350 -0.001 0.000 0.289 842 T C -0.511 174.182 174.700 -0.012 0.000 1.014 842 T CA -0.643 61.446 62.100 -0.018 0.000 0.986 842 T CB 2.851 71.713 68.868 -0.010 0.000 1.021 842 T HN -0.026 nan 8.240 nan 0.000 0.458 843 R N 1.875 122.351 120.500 -0.040 0.000 2.744 843 R HA 0.748 5.087 4.340 -0.001 0.000 0.279 843 R C -2.005 174.273 176.300 -0.037 0.000 0.977 843 R CA -0.906 55.173 56.100 -0.035 0.000 0.906 843 R CB 1.347 31.561 30.300 -0.143 0.000 1.197 843 R HN 0.463 nan 8.270 nan 0.000 0.463 844 L N 2.378 123.610 121.223 0.016 0.000 2.376 844 L HA 0.509 4.848 4.340 -0.001 0.000 0.275 844 L C -1.393 175.518 176.870 0.067 0.000 0.987 844 L CA 0.083 54.925 54.840 0.002 0.000 0.828 844 L CB 2.343 44.392 42.059 -0.016 0.000 1.249 844 L HN 0.649 nan 8.230 nan 0.000 0.409 845 T N 5.707 120.281 114.554 0.032 0.000 2.807 845 T HA 0.581 4.931 4.350 -0.001 0.000 0.279 845 T C -1.064 173.704 174.700 0.114 0.000 0.993 845 T CA -0.259 61.903 62.100 0.102 0.000 0.970 845 T CB 1.397 70.249 68.868 -0.026 0.000 0.950 845 T HN 0.492 nan 8.240 nan 0.000 0.441 846 L N 5.099 126.429 121.223 0.177 0.000 2.298 846 L HA 0.549 4.888 4.340 -0.001 0.000 0.284 846 L C -1.319 175.706 176.870 0.258 0.000 1.013 846 L CA -0.698 54.258 54.840 0.193 0.000 0.824 846 L CB 0.526 42.680 42.059 0.158 0.000 1.221 846 L HN 0.399 nan 8.230 nan 0.000 0.418 847 L N 3.814 125.191 121.223 0.256 0.000 2.343 847 L HA 0.665 5.004 4.340 -0.001 0.000 0.275 847 L C 0.550 177.577 176.870 0.261 0.000 1.056 847 L CA -0.236 54.753 54.840 0.248 0.000 0.804 847 L CB 1.458 43.629 42.059 0.186 0.000 1.203 847 L HN 0.787 nan 8.230 nan 0.000 0.440 848 T N -2.490 112.168 114.554 0.173 0.000 2.924 848 T HA 0.631 4.981 4.350 -0.001 0.000 0.291 848 T C 0.603 175.272 174.700 -0.052 0.000 1.045 848 T CA -0.266 61.849 62.100 0.025 0.000 1.015 848 T CB 1.955 70.840 68.868 0.029 0.000 1.103 848 T HN 0.668 nan 8.240 nan 0.000 0.496 849 G N 1.034 109.726 108.800 -0.180 0.000 3.337 849 G HA2 0.434 4.394 3.960 -0.001 0.000 0.246 849 G HA3 0.434 4.394 3.960 -0.001 0.000 0.246 849 G C 0.123 174.965 174.900 -0.097 0.000 1.131 849 G CA -0.332 44.700 45.100 -0.113 0.000 0.773 849 G HN 0.951 nan 8.290 nan 0.000 0.544 850 Q N -0.193 119.542 119.800 -0.107 0.000 2.527 850 Q HA 0.323 4.662 4.340 -0.001 0.000 0.280 850 Q C -3.549 172.417 176.000 -0.056 0.000 0.977 850 Q CA -2.234 53.531 55.803 -0.063 0.000 0.837 850 Q CB 1.813 30.528 28.738 -0.039 0.000 1.454 850 Q HN 0.006 nan 8.270 nan 0.000 0.387 851 P HA 0.516 nan 4.420 nan 0.000 0.285 851 P C -0.716 176.575 177.300 -0.015 0.000 1.259 851 P CA -0.221 62.864 63.100 -0.025 0.000 0.794 851 P CB 1.154 32.843 31.700 -0.018 0.000 0.940 852 L N 1.500 122.711 121.223 -0.021 0.000 2.502 852 L HA 0.692 5.031 4.340 -0.001 0.000 0.253 852 L C 0.685 177.579 176.870 0.041 0.000 1.070 852 L CA -1.128 53.724 54.840 0.020 0.000 0.871 852 L CB 1.988 44.045 42.059 -0.003 0.000 1.487 852 L HN 0.353 nan 8.230 nan 0.000 0.408 853 G N -1.132 107.747 108.800 0.132 0.000 2.412 853 G HA2 0.712 4.672 3.960 -0.001 0.000 0.318 853 G HA3 0.712 4.672 3.960 -0.001 0.000 0.318 853 G C -0.600 174.329 174.900 0.049 0.000 1.146 853 G CA 0.029 45.257 45.100 0.213 0.000 0.882 853 G HN 0.876 nan 8.290 nan 0.000 0.501 854 G N -1.521 107.131 108.800 -0.247 0.000 2.548 854 G HA2 0.700 4.660 3.960 -0.001 0.000 0.301 854 G HA3 0.700 4.660 3.960 -0.001 0.000 0.301 854 G C -1.109 173.340 174.900 -0.752 0.000 1.349 854 G CA 0.512 45.264 45.100 -0.581 0.000 0.792 854 G HN 1.379 nan 8.290 nan 0.000 0.481 855 S N -2.033 113.303 115.700 -0.606 0.000 2.669 855 S HA 0.697 5.167 4.470 -0.001 0.000 0.266 855 S C -1.667 172.490 174.600 -0.738 0.000 1.149 855 S CA 0.440 58.285 58.200 -0.592 0.000 0.842 855 S CB 1.117 64.032 63.200 -0.476 0.000 1.160 855 S HN 1.663 nan 8.310 nan 0.000 0.487 856 S N 1.532 116.543 115.700 -1.148 0.000 2.652 856 S HA 0.473 4.942 4.470 -0.001 0.000 0.252 856 S C 0.155 174.501 174.600 -0.424 0.000 1.219 856 S CA -0.634 57.121 58.200 -0.741 0.000 1.151 856 S CB 0.008 62.699 63.200 -0.849 0.000 1.080 856 S HN 0.571 nan 8.310 nan 0.000 0.481 857 L N 2.917 124.033 121.223 -0.179 0.000 2.558 857 L HA 0.469 4.808 4.340 -0.001 0.000 0.225 857 L C 0.904 177.762 176.870 -0.021 0.000 1.128 857 L CA 0.347 55.162 54.840 -0.042 0.000 0.868 857 L CB -0.042 42.051 42.059 0.057 0.000 1.006 857 L HN 0.697 nan 8.230 nan 0.000 0.454 858 A N -1.164 121.631 122.820 -0.043 0.000 2.604 858 A HA 0.445 4.764 4.320 -0.001 0.000 0.295 858 A C -0.408 177.167 177.584 -0.016 0.000 1.067 858 A CA -0.440 51.587 52.037 -0.015 0.000 0.683 858 A CB 1.245 20.240 19.000 -0.007 0.000 1.281 858 A HN -0.130 nan 8.150 nan 0.000 0.407 859 S N 0.039 115.743 115.700 0.006 0.000 2.558 859 S HA 0.392 4.861 4.470 -0.001 0.000 0.293 859 S C 1.523 176.134 174.600 0.017 0.000 1.292 859 S CA 1.915 60.127 58.200 0.020 0.000 1.063 859 S CB -0.081 63.133 63.200 0.025 0.000 0.831 859 S HN 2.664 nan 8.310 nan 0.000 0.499 860 G N 3.365 112.180 108.800 0.026 0.000 2.179 860 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.260 860 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.260 860 G C -0.155 174.740 174.900 -0.009 0.000 0.977 860 G CA 0.482 45.598 45.100 0.026 0.000 0.641 860 G HN 0.722 nan 8.290 nan 0.000 0.533 861 E N -0.644 119.536 120.200 -0.034 0.000 2.222 861 E HA 0.798 5.148 4.350 -0.001 0.000 0.267 861 E C -0.242 176.297 176.600 -0.101 0.000 0.963 861 E CA -0.780 55.580 56.400 -0.067 0.000 0.837 861 E CB 1.830 31.489 29.700 -0.068 0.000 1.183 861 E HN 0.219 nan 8.360 nan 0.000 0.403 862 L N 1.623 122.784 121.223 -0.102 0.000 2.422 862 L HA 0.453 4.793 4.340 -0.001 0.000 0.264 862 L C -0.786 176.024 176.870 -0.099 0.000 0.984 862 L CA -0.603 54.169 54.840 -0.114 0.000 0.819 862 L CB 2.109 44.133 42.059 -0.057 0.000 1.330 862 L HN 0.675 nan 8.230 nan 0.000 0.410 863 E N 3.211 123.342 120.200 -0.114 0.000 2.390 863 E HA 0.720 5.069 4.350 -0.001 0.000 0.277 863 E C -1.572 174.991 176.600 -0.060 0.000 0.939 863 E CA -0.850 55.518 56.400 -0.054 0.000 0.769 863 E CB 3.423 33.134 29.700 0.019 0.000 1.251 863 E HN 0.533 nan 8.360 nan 0.000 0.450 864 I N 2.133 122.707 120.570 0.008 0.000 2.610 864 I HA 0.305 4.474 4.170 -0.001 0.000 0.289 864 I C -1.453 174.739 176.117 0.125 0.000 1.163 864 I CA -1.128 60.197 61.300 0.042 0.000 1.044 864 I CB 1.966 39.996 38.000 0.051 0.000 1.251 864 I HN 0.790 nan 8.210 nan 0.000 0.424 865 M N 6.350 126.059 119.600 0.182 0.000 2.228 865 M HA 0.196 4.675 4.480 -0.001 0.000 0.351 865 M C 0.634 177.042 176.300 0.181 0.000 1.233 865 M CA 0.646 56.060 55.300 0.190 0.000 1.129 865 M CB 0.872 33.554 32.600 0.137 0.000 1.604 865 M HN 0.574 nan 8.290 nan 0.000 0.457 866 Q N 1.512 121.454 119.800 0.236 0.000 2.200 866 Q HA 0.232 4.571 4.340 -0.001 0.000 0.197 866 Q C -0.214 176.000 176.000 0.357 0.000 0.953 866 Q CA 0.869 56.879 55.803 0.345 0.000 0.851 866 Q CB 0.333 29.303 28.738 0.388 0.000 0.938 866 Q HN 0.764 nan 8.270 nan 0.000 0.488 867 D N -0.944 119.596 120.400 0.235 0.000 2.653 867 D HA 0.279 4.918 4.640 -0.001 0.000 0.258 867 D C -1.428 174.950 176.300 0.130 0.000 1.252 867 D CA -0.485 53.629 54.000 0.190 0.000 0.777 867 D CB 1.460 42.361 40.800 0.168 0.000 1.339 867 D HN 0.043 nan 8.370 nan 0.000 0.422 868 R N 0.829 121.393 120.500 0.107 0.000 2.584 868 R HA 0.695 5.035 4.340 -0.001 0.000 0.276 868 R C -1.039 175.311 176.300 0.083 0.000 1.046 868 R CA -1.064 55.084 56.100 0.080 0.000 0.906 868 R CB 2.170 32.490 30.300 0.033 0.000 1.215 868 R HN 0.325 nan 8.270 nan 0.000 0.449 869 R N 3.735 124.282 120.500 0.078 0.000 2.483 869 R HA 0.455 4.794 4.340 -0.001 0.000 0.303 869 R C -1.469 174.870 176.300 0.066 0.000 0.987 869 R CA -0.564 55.579 56.100 0.071 0.000 0.881 869 R CB 1.304 31.643 30.300 0.066 0.000 1.177 869 R HN 0.713 nan 8.270 nan 0.000 0.451 870 L N 4.108 125.367 121.223 0.061 0.000 2.349 870 L HA 0.521 4.861 4.340 -0.001 0.000 0.278 870 L C 0.830 177.728 176.870 0.048 0.000 0.996 870 L CA -0.598 54.276 54.840 0.055 0.000 0.825 870 L CB 2.094 44.186 42.059 0.056 0.000 1.243 870 L HN 0.814 nan 8.230 nan 0.000 0.412 871 A N 1.802 124.647 122.820 0.042 0.000 2.016 871 A HA 0.099 4.418 4.320 -0.001 0.000 0.217 871 A C 1.012 178.615 177.584 0.032 0.000 1.162 871 A CA 0.743 52.801 52.037 0.035 0.000 0.662 871 A CB -0.010 19.009 19.000 0.030 0.000 0.812 871 A HN 0.629 nan 8.150 nan 0.000 0.450 872 S N -0.140 115.579 115.700 0.032 0.000 2.651 872 S HA 0.420 4.890 4.470 -0.001 0.000 0.291 872 S C -0.585 174.036 174.600 0.036 0.000 1.141 872 S CA -0.643 57.575 58.200 0.029 0.000 1.027 872 S CB 1.436 64.649 63.200 0.022 0.000 1.043 872 S HN 0.487 nan 8.310 nan 0.000 0.530 873 D N 0.171 120.592 120.400 0.035 0.000 2.304 873 D HA 0.242 4.881 4.640 -0.001 0.000 0.247 873 D C -0.213 176.108 176.300 0.036 0.000 1.089 873 D CA -0.491 53.537 54.000 0.048 0.000 0.910 873 D CB 0.704 41.532 40.800 0.045 0.000 1.199 873 D HN 0.485 nan 8.370 nan 0.000 0.426 874 D N 2.180 122.607 120.400 0.045 0.000 2.491 874 D HA 0.056 4.696 4.640 -0.001 0.000 0.228 874 D C -0.363 175.908 176.300 -0.049 0.000 1.183 874 D CA -0.283 53.714 54.000 -0.006 0.000 0.827 874 D CB -0.441 40.345 40.800 -0.023 0.000 0.989 874 D HN 0.654 nan 8.370 nan 0.000 0.494 875 E N -0.146 120.047 120.200 -0.011 0.000 2.586 875 E HA -0.228 4.121 4.350 -0.001 0.000 0.259 875 E C 0.170 176.738 176.600 -0.054 0.000 1.107 875 E CA 0.206 56.595 56.400 -0.018 0.000 0.754 875 E CB -0.721 28.964 29.700 -0.024 0.000 1.335 875 E HN 0.256 nan 8.360 nan 0.000 0.411 876 R N -0.631 119.816 120.500 -0.089 0.000 2.577 876 R HA 0.209 4.549 4.340 -0.001 0.000 0.344 876 R C 1.354 177.709 176.300 0.092 0.000 1.037 876 R CA 0.609 56.576 56.100 -0.223 0.000 1.102 876 R CB 0.923 30.643 30.300 -0.967 0.000 1.313 876 R HN 0.412 nan 8.270 nan 0.000 0.561 877 G N 0.822 109.754 108.800 0.220 0.000 2.213 877 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.226 877 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.226 877 G C 0.766 175.792 174.900 0.209 0.000 0.992 877 G CA 0.280 45.595 45.100 0.358 0.000 0.632 877 G HN 0.313 nan 8.290 nan 0.000 0.511 878 L N 1.490 122.924 121.223 0.351 0.000 2.141 878 L HA 0.452 4.791 4.340 -0.001 0.000 0.209 878 L C 2.190 179.059 176.870 -0.001 0.000 1.094 878 L CA 2.620 57.559 54.840 0.165 0.000 0.763 878 L CB -0.608 41.681 42.059 0.384 0.000 0.908 878 L HN 1.725 nan 8.230 nan 0.000 0.437 879 G N -0.359 108.469 108.800 0.046 0.000 2.198 879 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.260 879 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.260 879 G C 0.078 174.989 174.900 0.017 0.000 1.025 879 G CA 0.686 45.793 45.100 0.012 0.000 0.769 879 G HN 0.809 nan 8.290 nan 0.000 0.507 880 Q N -2.219 117.606 119.800 0.042 0.000 2.687 880 Q HA 0.671 5.010 4.340 -0.001 0.000 0.295 880 Q C 0.300 176.333 176.000 0.053 0.000 0.920 880 Q CA -0.613 55.214 55.803 0.039 0.000 0.766 880 Q CB 0.410 29.168 28.738 0.035 0.000 1.467 880 Q HN 0.975 nan 8.270 nan 0.000 0.415 881 G N -0.048 108.780 108.800 0.047 0.000 2.543 881 G HA2 0.538 4.498 3.960 -0.001 0.000 0.267 881 G HA3 0.538 4.498 3.960 -0.001 0.000 0.267 881 G C -1.002 173.930 174.900 0.054 0.000 1.406 881 G CA -0.720 44.410 45.100 0.050 0.000 1.048 881 G HN 0.394 nan 8.290 nan 0.000 0.548 882 V N 0.950 120.898 119.914 0.056 0.000 2.284 882 V HA 0.329 4.448 4.120 -0.001 0.000 0.274 882 V C 0.103 176.236 176.094 0.065 0.000 1.023 882 V CA -0.132 62.208 62.300 0.066 0.000 0.808 882 V CB 0.786 32.652 31.823 0.072 0.000 1.035 882 V HN 0.529 nan 8.190 nan 0.000 0.445 883 L N 3.318 124.577 121.223 0.060 0.000 3.229 883 L HA 0.318 4.657 4.340 -0.001 0.000 0.286 883 L C 0.613 177.514 176.870 0.052 0.000 1.239 883 L CA 0.006 54.877 54.840 0.052 0.000 1.035 883 L CB 0.640 42.724 42.059 0.042 0.000 1.408 883 L HN 0.652 nan 8.230 nan 0.000 0.593 884 D N -2.134 118.305 120.400 0.066 0.000 2.525 884 D HA 0.049 4.689 4.640 -0.001 0.000 0.229 884 D C 0.155 176.498 176.300 0.072 0.000 1.202 884 D CA -0.446 53.593 54.000 0.065 0.000 0.828 884 D CB -0.412 40.434 40.800 0.077 0.000 1.008 884 D HN 0.084 nan 8.370 nan 0.000 0.493 885 N N 1.612 120.354 118.700 0.069 0.000 2.395 885 N HA 0.113 4.852 4.740 -0.001 0.000 0.246 885 N C 0.189 175.711 175.510 0.020 0.000 1.246 885 N CA 0.349 53.439 53.050 0.067 0.000 0.879 885 N CB 0.664 39.190 38.487 0.064 0.000 1.098 885 N HN 0.310 nan 8.380 nan 0.000 0.444 886 K N -0.291 120.104 120.400 -0.008 0.000 2.509 886 K HA 0.567 4.886 4.320 -0.001 0.000 0.266 886 K C -3.220 173.346 176.600 -0.057 0.000 0.987 886 K CA -2.053 54.183 56.287 -0.085 0.000 0.868 886 K CB 1.121 33.479 32.500 -0.237 0.000 1.421 886 K HN 0.119 nan 8.250 nan 0.000 0.444 887 P HA -0.012 nan 4.420 nan 0.000 0.264 887 P C -1.055 176.259 177.300 0.023 0.000 1.193 887 P CA -0.386 62.691 63.100 -0.039 0.000 0.763 887 P CB 0.742 32.409 31.700 -0.055 0.000 0.810 888 V N 5.336 125.235 119.914 -0.024 0.000 2.789 888 V HA 0.488 4.608 4.120 -0.001 0.000 0.311 888 V C -1.331 174.641 176.094 -0.204 0.000 1.073 888 V CA -1.098 61.171 62.300 -0.052 0.000 0.921 888 V CB 2.117 33.892 31.823 -0.081 0.000 1.009 888 V HN 0.265 nan 8.190 nan 0.000 0.426 889 L N 6.920 128.054 121.223 -0.148 0.000 2.272 889 L HA 0.597 4.937 4.340 -0.001 0.000 0.284 889 L C -0.430 176.429 176.870 -0.018 0.000 1.045 889 L CA 0.135 54.922 54.840 -0.089 0.000 0.842 889 L CB 0.338 42.364 42.059 -0.055 0.000 1.224 889 L HN 0.701 nan 8.230 nan 0.000 0.430 890 H N 5.668 124.756 119.070 0.031 0.000 2.548 890 H HA 0.501 5.056 4.556 -0.001 0.000 0.331 890 H C -0.116 175.114 175.328 -0.163 0.000 1.093 890 H CA -0.232 55.778 56.048 -0.064 0.000 1.367 890 H CB 1.237 31.037 29.762 0.062 0.000 1.455 890 H HN 0.689 nan 8.280 nan 0.000 0.519 891 I N 0.238 120.643 120.570 -0.274 0.000 2.740 891 I HA 0.620 4.790 4.170 -0.001 0.000 0.303 891 I C -1.360 174.416 176.117 -0.569 0.000 1.044 891 I CA -0.964 60.195 61.300 -0.235 0.000 1.064 891 I CB 2.152 40.107 38.000 -0.074 0.000 1.249 891 I HN 0.240 nan 8.210 nan 0.000 0.433 892 Y N 2.079 122.434 120.300 0.093 0.000 2.670 892 Y HA 0.693 5.242 4.550 -0.001 0.000 0.334 892 Y C -0.647 175.313 175.900 0.100 0.000 1.185 892 Y CA -1.095 57.068 58.100 0.104 0.000 1.053 892 Y CB 1.511 40.055 38.460 0.141 0.000 1.298 892 Y HN 0.412 nan 8.280 nan 0.000 0.459 893 R N 1.432 122.101 120.500 0.282 0.000 2.621 893 R HA 0.593 4.932 4.340 -0.001 0.000 0.292 893 R C -1.912 174.505 176.300 0.196 0.000 0.969 893 R CA -1.100 55.115 56.100 0.192 0.000 0.887 893 R CB 2.401 32.773 30.300 0.120 0.000 1.180 893 R HN 0.664 nan 8.270 nan 0.000 0.450 894 L N 2.843 124.162 121.223 0.159 0.000 2.316 894 L HA 0.435 4.774 4.340 -0.001 0.000 0.280 894 L C -1.189 175.711 176.870 0.050 0.000 1.006 894 L CA -0.538 54.369 54.840 0.112 0.000 0.836 894 L CB 1.760 43.895 42.059 0.126 0.000 1.221 894 L HN 0.300 nan 8.230 nan 0.000 0.418 895 V N 6.265 126.194 119.914 0.024 0.000 2.313 895 V HA 0.387 4.506 4.120 -0.001 0.000 0.278 895 V C -0.253 175.815 176.094 -0.042 0.000 1.017 895 V CA -0.565 61.728 62.300 -0.012 0.000 0.823 895 V CB 1.291 33.100 31.823 -0.024 0.000 1.010 895 V HN 0.643 nan 8.190 nan 0.000 0.443 896 L N 5.622 126.815 121.223 -0.051 0.000 2.289 896 L HA 0.685 5.025 4.340 -0.001 0.000 0.285 896 L C -0.114 176.715 176.870 -0.068 0.000 1.049 896 L CA 0.679 55.480 54.840 -0.064 0.000 0.804 896 L CB 1.041 43.057 42.059 -0.072 0.000 1.195 896 L HN 0.747 nan 8.230 nan 0.000 0.428 897 E N 3.581 123.734 120.200 -0.078 0.000 2.413 897 E HA 0.455 4.805 4.350 -0.001 0.000 0.277 897 E C -1.318 175.236 176.600 -0.077 0.000 0.958 897 E CA -1.196 55.155 56.400 -0.082 0.000 0.779 897 E CB 1.473 31.109 29.700 -0.107 0.000 1.278 897 E HN 0.260 nan 8.360 nan 0.000 0.456 898 K N 1.280 121.638 120.400 -0.070 0.000 2.205 898 K HA 0.242 4.561 4.320 -0.001 0.000 0.279 898 K C 0.336 176.893 176.600 -0.073 0.000 1.027 898 K CA -0.236 56.015 56.287 -0.061 0.000 0.932 898 K CB 1.459 33.928 32.500 -0.051 0.000 1.032 898 K HN 0.486 nan 8.250 nan 0.000 0.466 899 V N -0.623 119.250 119.914 -0.069 0.000 3.252 899 V HA 0.027 4.146 4.120 -0.001 0.000 0.320 899 V C 1.153 177.212 176.094 -0.058 0.000 1.459 899 V CA -0.328 61.923 62.300 -0.081 0.000 1.095 899 V CB -0.298 31.461 31.823 -0.108 0.000 0.997 899 V HN 0.625 nan 8.190 nan 0.000 0.469 900 N N 1.371 120.046 118.700 -0.043 0.000 2.364 900 N HA -0.174 4.566 4.740 -0.001 0.000 0.183 900 N C 1.011 176.501 175.510 -0.034 0.000 1.022 900 N CA 1.589 54.620 53.050 -0.031 0.000 0.883 900 N CB -0.475 37.998 38.487 -0.023 0.000 0.965 900 N HN 0.535 nan 8.380 nan 0.000 0.438 901 N N 0.021 118.695 118.700 -0.043 0.000 2.336 901 N HA 0.074 4.813 4.740 -0.001 0.000 0.189 901 N C -0.319 175.160 175.510 -0.052 0.000 1.113 901 N CA -0.103 52.922 53.050 -0.043 0.000 0.858 901 N CB 0.104 38.565 38.487 -0.044 0.000 0.970 901 N HN 0.213 nan 8.380 nan 0.000 0.471 902 c N 1.317 119.881 118.600 -0.061 0.000 2.527 902 c HA 0.270 4.839 4.570 -0.001 0.000 0.396 902 c C 1.023 175.075 174.090 -0.063 0.000 1.289 902 c CA -0.954 55.331 56.329 -0.073 0.000 2.047 902 c CB 0.753 43.206 42.510 -0.095 0.000 2.568 902 c HN 0.007 nan 8.230 nan 0.000 0.573 903 V N 5.779 125.652 119.914 -0.068 0.000 2.387 903 V HA 0.200 4.319 4.120 -0.001 0.000 0.260 903 V C 0.654 176.711 176.094 -0.062 0.000 1.054 903 V CA 0.384 62.649 62.300 -0.059 0.000 0.967 903 V CB -0.647 31.136 31.823 -0.067 0.000 1.036 903 V HN 0.803 nan 8.190 nan 0.000 0.481 904 R N 4.632 125.108 120.500 -0.040 0.000 2.782 904 R HA 0.559 4.899 4.340 -0.001 0.000 0.258 904 R C -2.446 173.847 176.300 -0.011 0.000 1.055 904 R CA -1.832 54.253 56.100 -0.025 0.000 1.065 904 R CB 0.955 31.245 30.300 -0.017 0.000 1.172 904 R HN 0.397 nan 8.270 nan 0.000 0.510 905 P HA -0.002 nan 4.420 nan 0.000 0.272 905 P C -0.460 176.878 177.300 0.063 0.000 1.230 905 P CA -0.319 62.761 63.100 -0.033 0.000 0.788 905 P CB 0.674 32.270 31.700 -0.174 0.000 0.949 906 S N 0.868 116.633 115.700 0.108 0.000 2.596 906 S HA 0.064 4.533 4.470 -0.001 0.000 0.260 906 S C 1.079 175.760 174.600 0.135 0.000 1.336 906 S CA -0.103 58.164 58.200 0.111 0.000 0.993 906 S CB 0.245 63.513 63.200 0.113 0.000 0.923 906 S HN 0.311 nan 8.310 nan 0.000 0.567 907 K N 0.302 120.762 120.400 0.101 0.000 2.281 907 K HA 0.013 4.333 4.320 -0.001 0.000 0.203 907 K C 1.426 178.083 176.600 0.095 0.000 1.046 907 K CA 1.244 57.589 56.287 0.096 0.000 0.938 907 K CB -0.568 31.972 32.500 0.067 0.000 0.737 907 K HN 0.553 nan 8.250 nan 0.000 0.458 908 L N 0.005 121.287 121.223 0.098 0.000 2.592 908 L HA 0.058 4.397 4.340 -0.001 0.000 0.227 908 L C 0.987 177.908 176.870 0.085 0.000 1.127 908 L CA -0.262 54.620 54.840 0.069 0.000 0.884 908 L CB -0.218 41.867 42.059 0.043 0.000 1.065 908 L HN 0.226 nan 8.230 nan 0.000 0.457 909 H N 2.610 121.718 119.070 0.063 0.000 2.683 909 H HA 0.106 4.662 4.556 -0.001 0.000 0.339 909 H C -1.720 173.649 175.328 0.068 0.000 1.081 909 H CA -1.376 54.722 56.048 0.083 0.000 1.432 909 H CB 1.879 31.718 29.762 0.127 0.000 1.462 909 H HN -0.084 nan 8.280 nan 0.000 0.557 910 P HA 0.152 nan 4.420 nan 0.000 0.249 910 P C -0.380 177.022 177.300 0.171 0.000 1.229 910 P CA 0.158 63.289 63.100 0.053 0.000 0.788 910 P CB 0.527 32.184 31.700 -0.071 0.000 1.072 911 A N -0.315 122.779 122.820 0.456 0.000 2.288 911 A HA 0.767 5.086 4.320 -0.001 0.000 0.328 911 A C 0.238 177.903 177.584 0.136 0.000 1.123 911 A CA -0.333 51.851 52.037 0.245 0.000 0.861 911 A CB 0.982 20.111 19.000 0.216 0.000 1.272 911 A HN 0.156 nan 8.150 nan 0.000 0.490 912 G N -1.475 107.273 108.800 -0.086 0.000 2.642 912 G HA2 0.629 4.588 3.960 -0.001 0.000 0.293 912 G HA3 0.629 4.588 3.960 -0.001 0.000 0.293 912 G C -1.774 172.773 174.900 -0.589 0.000 1.341 912 G CA -0.388 44.585 45.100 -0.212 0.000 0.916 912 G HN 0.541 nan 8.290 nan 0.000 0.474 913 Y N -0.691 119.576 120.300 -0.056 0.000 2.524 913 Y HA 0.504 5.054 4.550 -0.001 0.000 0.347 913 Y C 0.414 176.076 175.900 -0.396 0.000 1.005 913 Y CA -0.936 57.063 58.100 -0.168 0.000 1.025 913 Y CB 2.132 40.486 38.460 -0.177 0.000 1.275 913 Y HN 0.334 nan 8.280 nan 0.000 0.460 914 L N 1.813 122.874 121.223 -0.270 0.000 2.466 914 L HA 0.405 4.744 4.340 -0.001 0.000 0.257 914 L C 0.642 177.365 176.870 -0.245 0.000 1.189 914 L CA -0.564 54.039 54.840 -0.395 0.000 0.813 914 L CB 0.799 42.695 42.059 -0.271 0.000 1.118 914 L HN 0.771 nan 8.230 nan 0.000 0.471 915 T N -2.998 111.405 114.554 -0.251 0.000 2.881 915 T HA 0.084 4.434 4.350 -0.001 0.000 0.278 915 T C 1.085 175.736 174.700 -0.083 0.000 0.982 915 T CA -0.183 61.816 62.100 -0.168 0.000 0.989 915 T CB 1.556 70.319 68.868 -0.174 0.000 1.058 915 T HN 0.603 nan 8.240 nan 0.000 0.529 916 S N 0.472 116.136 115.700 -0.060 0.000 2.359 916 S HA -0.145 4.324 4.470 -0.001 0.000 0.224 916 S C 2.345 176.959 174.600 0.024 0.000 1.035 916 S CA 1.482 59.682 58.200 -0.001 0.000 1.018 916 S CB -1.246 61.937 63.200 -0.029 0.000 0.876 916 S HN 0.920 nan 8.310 nan 0.000 0.448 917 A N 1.170 123.978 122.820 -0.019 0.000 1.933 917 A HA 0.227 4.546 4.320 -0.001 0.000 0.218 917 A C 2.463 180.043 177.584 -0.006 0.000 1.175 917 A CA 1.866 53.895 52.037 -0.014 0.000 0.628 917 A CB -1.307 17.674 19.000 -0.032 0.000 0.814 917 A HN 0.821 nan 8.150 nan 0.000 0.444 918 A N -1.496 121.307 122.820 -0.029 0.000 1.929 918 A HA -0.143 4.176 4.320 -0.001 0.000 0.216 918 A C 2.099 179.710 177.584 0.045 0.000 1.176 918 A CA 1.523 53.545 52.037 -0.025 0.000 0.628 918 A CB -0.869 18.056 19.000 -0.124 0.000 0.816 918 A HN 0.777 nan 8.150 nan 0.000 0.444 919 H N 0.005 119.062 119.070 -0.022 0.000 2.357 919 H HA -0.026 4.530 4.556 -0.001 0.000 0.301 919 H C 1.797 177.166 175.328 0.069 0.000 1.082 919 H CA 1.744 57.817 56.048 0.041 0.000 1.342 919 H CB -0.017 29.764 29.762 0.033 0.000 1.389 919 H HN 0.427 nan 8.280 nan 0.000 0.511 920 K N 0.231 120.599 120.400 -0.054 0.000 2.148 920 K HA -0.051 4.268 4.320 -0.001 0.000 0.204 920 K C 2.383 178.953 176.600 -0.051 0.000 1.050 920 K CA 0.779 57.016 56.287 -0.084 0.000 0.942 920 K CB -0.003 32.501 32.500 0.007 0.000 0.724 920 K HN 0.257 nan 8.250 nan 0.000 0.446 921 A N 0.898 123.711 122.820 -0.012 0.000 1.902 921 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 921 A C 2.212 179.805 177.584 0.016 0.000 1.181 921 A CA 2.062 54.108 52.037 0.014 0.000 0.623 921 A CB -0.684 18.337 19.000 0.036 0.000 0.818 921 A HN 0.277 nan 8.150 nan 0.000 0.443 922 S N -0.688 115.024 115.700 0.020 0.000 2.368 922 S HA -0.238 4.232 4.470 -0.001 0.000 0.225 922 S C 2.144 176.741 174.600 -0.005 0.000 1.030 922 S CA 1.730 59.960 58.200 0.050 0.000 0.999 922 S CB -0.413 62.861 63.200 0.123 0.000 0.844 922 S HN 0.676 nan 8.310 nan 0.000 0.459 923 Q N 0.592 120.341 119.800 -0.084 0.000 2.170 923 Q HA -0.093 4.246 4.340 -0.001 0.000 0.203 923 Q C 2.487 178.451 176.000 -0.060 0.000 0.976 923 Q CA 1.661 57.418 55.803 -0.078 0.000 0.858 923 Q CB -0.307 28.360 28.738 -0.118 0.000 0.907 923 Q HN 0.815 nan 8.270 nan 0.000 0.433 924 S N 0.231 115.904 115.700 -0.044 0.000 2.423 924 S HA -0.077 4.392 4.470 -0.001 0.000 0.231 924 S C 1.859 176.422 174.600 -0.062 0.000 1.014 924 S CA 0.674 58.847 58.200 -0.045 0.000 0.965 924 S CB -0.230 62.959 63.200 -0.017 0.000 0.785 924 S HN 0.282 nan 8.310 nan 0.000 0.495 925 L N 0.043 121.240 121.223 -0.044 0.000 2.127 925 L HA 0.223 4.563 4.340 -0.001 0.000 0.203 925 L C 2.493 179.312 176.870 -0.085 0.000 1.080 925 L CA 0.741 55.551 54.840 -0.050 0.000 0.768 925 L CB -0.360 41.688 42.059 -0.018 0.000 0.924 925 L HN 0.285 nan 8.230 nan 0.000 0.444 926 L N -1.235 119.942 121.223 -0.077 0.000 2.249 926 L HA 0.043 4.382 4.340 -0.001 0.000 0.207 926 L C 0.160 176.925 176.870 -0.175 0.000 1.090 926 L CA 0.743 55.526 54.840 -0.096 0.000 0.802 926 L CB 0.124 42.151 42.059 -0.053 0.000 0.947 926 L HN 0.198 nan 8.230 nan 0.000 0.453 927 D N 0.464 120.744 120.400 -0.200 0.000 2.613 927 D HA 0.231 4.870 4.640 -0.001 0.000 0.312 927 D C -2.342 173.751 176.300 -0.346 0.000 1.202 927 D CA -0.965 52.840 54.000 -0.326 0.000 0.825 927 D CB 1.407 42.201 40.800 -0.011 0.000 1.113 927 D HN 0.058 nan 8.370 nan 0.000 0.502 928 P HA 0.142 nan 4.420 nan 0.000 0.275 928 P C 0.536 177.719 177.300 -0.195 0.000 1.266 928 P CA -0.515 62.434 63.100 -0.252 0.000 0.793 928 P CB 1.572 33.139 31.700 -0.221 0.000 1.074 929 L N 0.617 121.780 121.223 -0.101 0.000 2.483 929 L HA 0.119 4.458 4.340 -0.001 0.000 0.276 929 L C 0.873 177.736 176.870 -0.012 0.000 1.213 929 L CA 0.346 55.170 54.840 -0.026 0.000 0.843 929 L CB -0.248 41.809 42.059 -0.003 0.000 1.107 929 L HN 0.278 nan 8.230 nan 0.000 0.487 930 D N 2.756 123.213 120.400 0.094 0.000 2.175 930 D HA 0.348 4.987 4.640 -0.001 0.000 0.248 930 D C -0.401 175.898 176.300 -0.000 0.000 1.047 930 D CA -0.337 53.656 54.000 -0.011 0.000 0.883 930 D CB 1.773 42.607 40.800 0.058 0.000 1.180 930 D HN 0.359 nan 8.370 nan 0.000 0.438 931 K N 1.394 121.677 120.400 -0.195 0.000 2.345 931 K HA 0.479 4.798 4.320 -0.001 0.000 0.255 931 K C -1.001 175.560 176.600 -0.064 0.000 0.934 931 K CA -0.659 55.659 56.287 0.052 0.000 0.801 931 K CB 1.625 34.124 32.500 -0.001 0.000 1.137 931 K HN 0.220 nan 8.250 nan 0.000 0.424 932 F N 2.580 122.708 119.950 0.297 0.000 2.520 932 F HA 0.495 5.021 4.527 -0.001 0.000 0.322 932 F C 0.014 176.101 175.800 0.479 0.000 1.103 932 F CA -0.892 57.281 58.000 0.288 0.000 0.926 932 F CB 1.263 40.258 39.000 -0.007 0.000 1.154 932 F HN 0.196 nan 8.300 nan 0.000 0.453 933 I N 3.475 124.434 120.570 0.648 0.000 2.378 933 I HA 0.224 4.393 4.170 -0.001 0.000 0.291 933 I C -0.574 175.815 176.117 0.453 0.000 0.992 933 I CA -0.856 60.744 61.300 0.500 0.000 1.154 933 I CB 1.298 39.492 38.000 0.323 0.000 1.315 933 I HN 0.430 nan 8.210 nan 0.000 0.448 934 F N 5.662 125.749 119.950 0.227 0.000 2.538 934 F HA 0.214 4.740 4.527 -0.001 0.000 0.371 934 F C 1.185 176.889 175.800 -0.161 0.000 1.087 934 F CA 0.053 57.879 58.000 -0.290 0.000 1.250 934 F CB 1.198 40.062 39.000 -0.226 0.000 1.110 934 F HN 0.610 nan 8.300 nan 0.000 0.570 935 A N 4.537 126.762 122.820 -0.991 0.000 1.898 935 A HA 0.011 4.331 4.320 -0.001 0.000 0.214 935 A C 0.998 178.312 177.584 -0.450 0.000 1.183 935 A CA 0.637 52.327 52.037 -0.579 0.000 0.622 935 A CB -0.557 18.099 19.000 -0.575 0.000 0.824 935 A HN 0.799 nan 8.150 nan 0.000 0.444 936 E N -0.347 119.433 120.200 -0.700 0.000 2.385 936 E HA 0.140 4.489 4.350 -0.001 0.000 0.254 936 E C 0.303 177.006 176.600 0.171 0.000 1.228 936 E CA -0.493 55.814 56.400 -0.156 0.000 0.956 936 E CB 0.224 29.905 29.700 -0.032 0.000 1.116 936 E HN 0.250 nan 8.360 nan 0.000 0.507 937 N N 0.506 119.320 118.700 0.190 0.000 2.216 937 N HA -0.088 4.651 4.740 -0.001 0.000 0.183 937 N C -0.222 175.440 175.510 0.254 0.000 1.017 937 N CA 0.909 54.081 53.050 0.202 0.000 0.861 937 N CB 0.189 38.751 38.487 0.126 0.000 0.986 937 N HN 0.459 nan 8.380 nan 0.000 0.428 938 E N -0.680 119.693 120.200 0.289 0.000 2.256 938 E HA 0.113 4.462 4.350 -0.001 0.000 0.268 938 E C -1.538 175.144 176.600 0.137 0.000 0.877 938 E CA -0.725 55.772 56.400 0.161 0.000 0.757 938 E CB 1.194 30.951 29.700 0.095 0.000 1.183 938 E HN -0.011 nan 8.360 nan 0.000 0.418 939 W N 7.882 128.858 121.300 -0.541 0.000 2.295 939 W HA 0.407 5.066 4.660 -0.001 0.000 0.333 939 W C -1.342 174.962 176.519 -0.358 0.000 0.990 939 W CA -1.506 55.352 57.345 -0.812 0.000 1.453 939 W CB -0.170 28.344 29.460 -1.577 0.000 1.263 939 W HN 0.476 nan 8.180 nan 0.000 0.380 940 I N 5.815 126.480 120.570 0.158 0.000 2.471 940 I HA 0.255 4.424 4.170 -0.001 0.000 0.286 940 I C 1.508 177.624 176.117 -0.000 0.000 1.079 940 I CA 1.305 62.630 61.300 0.041 0.000 1.398 940 I CB 0.552 38.603 38.000 0.085 0.000 1.403 940 I HN 0.769 nan 8.210 nan 0.000 0.530 941 G N 4.243 112.954 108.800 -0.149 0.000 2.157 941 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.248 941 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.248 941 G C 0.431 175.099 174.900 -0.388 0.000 0.979 941 G CA -0.122 44.873 45.100 -0.175 0.000 0.650 941 G HN 1.009 nan 8.290 nan 0.000 0.529 942 A N -0.339 121.991 122.820 -0.815 0.000 2.531 942 A HA 0.545 4.865 4.320 -0.001 0.000 0.236 942 A C 0.575 177.729 177.584 -0.717 0.000 1.062 942 A CA 0.908 52.090 52.037 -1.426 0.000 0.760 942 A CB 0.220 18.013 19.000 -2.011 0.000 0.995 942 A HN 0.646 nan 8.150 nan 0.000 0.501 943 Q N 0.655 120.101 119.800 -0.591 0.000 2.351 943 Q HA 0.526 4.865 4.340 -0.001 0.000 0.273 943 Q C 1.088 176.955 176.000 -0.223 0.000 1.077 943 Q CA -0.225 55.401 55.803 -0.295 0.000 0.843 943 Q CB 1.931 30.564 28.738 -0.176 0.000 1.367 943 Q HN 0.799 nan 8.270 nan 0.000 0.449 944 G N 0.097 108.807 108.800 -0.150 0.000 2.683 944 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.213 944 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.213 944 G C 0.193 175.049 174.900 -0.072 0.000 1.142 944 G CA 0.565 45.592 45.100 -0.122 0.000 0.793 944 G HN 0.444 nan 8.290 nan 0.000 0.534 945 Q N -1.455 118.320 119.800 -0.042 0.000 2.578 945 Q HA 0.519 4.858 4.340 -0.001 0.000 0.284 945 Q C -2.382 173.625 176.000 0.012 0.000 0.960 945 Q CA -0.937 54.856 55.803 -0.016 0.000 0.809 945 Q CB 2.071 30.786 28.738 -0.039 0.000 1.462 945 Q HN 0.042 nan 8.270 nan 0.000 0.392 946 F N 0.998 120.841 119.950 -0.178 0.000 2.569 946 F HA 0.637 5.163 4.527 -0.001 0.000 0.312 946 F C 0.459 175.993 175.800 -0.444 0.000 1.109 946 F CA 0.451 58.280 58.000 -0.284 0.000 0.919 946 F CB 2.081 40.925 39.000 -0.261 0.000 1.211 946 F HN 0.685 nan 8.300 nan 0.000 0.446 947 G N 2.975 110.697 108.800 -1.796 0.000 2.141 947 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.242 947 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.242 947 G C 1.035 175.236 174.900 -1.166 0.000 0.982 947 G CA 0.306 44.096 45.100 -2.183 0.000 0.662 947 G HN 1.615 nan 8.290 nan 0.000 0.527 948 G N 1.066 109.484 108.800 -0.637 0.000 2.470 948 G HA2 0.033 3.992 3.960 -0.001 0.000 0.220 948 G HA3 0.033 3.992 3.960 -0.001 0.000 0.220 948 G C 1.202 176.021 174.900 -0.136 0.000 1.121 948 G CA 1.739 46.693 45.100 -0.243 0.000 0.766 948 G HN 0.830 nan 8.290 nan 0.000 0.553 949 D N -0.860 119.382 120.400 -0.264 0.000 2.340 949 D HA 0.029 4.668 4.640 -0.001 0.000 0.217 949 D C 0.322 176.612 176.300 -0.017 0.000 1.081 949 D CA -0.491 53.453 54.000 -0.095 0.000 0.842 949 D CB -0.867 39.886 40.800 -0.078 0.000 0.934 949 D HN 0.452 nan 8.370 nan 0.000 0.511 950 H N 0.979 119.931 119.070 -0.197 0.000 2.764 950 H HA 0.246 4.802 4.556 -0.001 0.000 0.341 950 H C -2.019 173.268 175.328 -0.068 0.000 1.072 950 H CA -1.793 54.163 56.048 -0.152 0.000 1.444 950 H CB 0.677 30.296 29.762 -0.238 0.000 1.458 950 H HN -0.034 nan 8.280 nan 0.000 0.572 951 P HA -0.054 nan 4.420 nan 0.000 0.268 951 P C -0.609 176.754 177.300 0.104 0.000 1.204 951 P CA 0.118 63.273 63.100 0.092 0.000 0.768 951 P CB 0.737 32.471 31.700 0.057 0.000 0.842 952 S N 2.553 118.349 115.700 0.160 0.000 2.464 952 S HA 0.558 5.027 4.470 -0.001 0.000 0.313 952 S C 0.095 174.807 174.600 0.187 0.000 1.078 952 S CA -0.594 57.734 58.200 0.214 0.000 1.096 952 S CB -0.688 62.753 63.200 0.401 0.000 1.032 952 S HN 0.491 nan 8.310 nan 0.000 0.498 953 A N 4.453 127.374 122.820 0.168 0.000 2.366 953 A HA 0.451 4.770 4.320 -0.001 0.000 0.249 953 A C 0.608 178.265 177.584 0.121 0.000 1.084 953 A CA -0.472 51.644 52.037 0.132 0.000 0.794 953 A CB 0.166 19.240 19.000 0.124 0.000 1.034 953 A HN 0.909 nan 8.150 nan 0.000 0.491 954 R N 0.096 120.638 120.500 0.070 0.000 2.638 954 R HA -0.044 4.295 4.340 -0.001 0.000 0.268 954 R C 1.477 177.789 176.300 0.019 0.000 1.006 954 R CA 0.957 57.072 56.100 0.026 0.000 1.088 954 R CB 0.318 30.618 30.300 0.000 0.000 0.950 954 R HN 0.926 nan 8.270 nan 0.000 0.419 955 E N 1.890 122.061 120.200 -0.048 0.000 2.209 955 E HA -0.246 4.103 4.350 -0.001 0.000 0.196 955 E C 0.295 176.925 176.600 0.051 0.000 0.993 955 E CA 1.662 58.015 56.400 -0.078 0.000 0.819 955 E CB -0.079 29.556 29.700 -0.108 0.000 0.745 955 E HN 0.757 nan 8.360 nan 0.000 0.477 956 D N 0.553 120.942 120.400 -0.018 0.000 2.340 956 D HA 0.012 4.651 4.640 -0.001 0.000 0.220 956 D C 0.330 176.624 176.300 -0.009 0.000 1.039 956 D CA -0.149 53.796 54.000 -0.091 0.000 0.866 956 D CB -0.035 40.656 40.800 -0.181 0.000 0.913 956 D HN 0.170 nan 8.370 nan 0.000 0.523 957 L N 0.781 122.048 121.223 0.074 0.000 2.307 957 L HA 0.521 4.861 4.340 -0.001 0.000 0.282 957 L C -1.078 175.922 176.870 0.217 0.000 1.051 957 L CA -0.390 54.515 54.840 0.108 0.000 0.804 957 L CB 1.621 43.733 42.059 0.089 0.000 1.197 957 L HN -0.204 nan 8.230 nan 0.000 0.431 958 D N 2.413 122.962 120.400 0.248 0.000 2.671 958 D HA 0.353 4.993 4.640 -0.001 0.000 0.232 958 D C -1.378 175.089 176.300 0.278 0.000 1.114 958 D CA -0.268 53.905 54.000 0.289 0.000 0.858 958 D CB 2.396 43.415 40.800 0.366 0.000 1.544 958 D HN 0.230 nan 8.370 nan 0.000 0.471 959 V N 3.573 123.630 119.914 0.237 0.000 2.284 959 V HA 0.127 4.246 4.120 -0.001 0.000 0.260 959 V C 1.297 177.535 176.094 0.241 0.000 1.084 959 V CA -0.010 62.442 62.300 0.253 0.000 0.894 959 V CB 0.490 32.451 31.823 0.230 0.000 1.119 959 V HN 0.610 nan 8.190 nan 0.000 0.484 960 S N 3.237 119.108 115.700 0.285 0.000 2.382 960 S HA -0.028 4.441 4.470 -0.001 0.000 0.228 960 S C 0.664 175.329 174.600 0.109 0.000 1.027 960 S CA 0.939 59.262 58.200 0.205 0.000 0.991 960 S CB 0.146 63.523 63.200 0.295 0.000 0.823 960 S HN 0.501 nan 8.310 nan 0.000 0.469 961 V N 1.347 121.364 119.914 0.171 0.000 2.760 961 V HA 0.539 4.659 4.120 -0.001 0.000 0.309 961 V C -0.787 175.386 176.094 0.133 0.000 1.077 961 V CA -0.572 61.804 62.300 0.127 0.000 0.910 961 V CB 1.911 33.832 31.823 0.163 0.000 1.008 961 V HN 0.374 nan 8.190 nan 0.000 0.424 962 M N 5.579 125.176 119.600 -0.005 0.000 2.151 962 M HA 0.670 5.149 4.480 -0.001 0.000 0.290 962 M C -1.103 175.032 176.300 -0.275 0.000 0.965 962 M CA -0.475 54.691 55.300 -0.224 0.000 0.930 962 M CB 1.388 33.866 32.600 -0.203 0.000 1.560 962 M HN 0.758 nan 8.290 nan 0.000 0.438 963 R N 4.132 124.396 120.500 -0.392 0.000 2.515 963 R HA 0.446 4.785 4.340 -0.001 0.000 0.291 963 R C -1.412 174.657 176.300 -0.384 0.000 1.046 963 R CA -0.697 55.221 56.100 -0.304 0.000 0.914 963 R CB 1.827 32.034 30.300 -0.156 0.000 1.191 963 R HN 0.902 nan 8.270 nan 0.000 0.435 964 R N 4.395 124.726 120.500 -0.283 0.000 2.442 964 R HA 0.129 4.468 4.340 -0.001 0.000 0.291 964 R C 0.160 176.346 176.300 -0.190 0.000 1.069 964 R CA 0.105 56.067 56.100 -0.231 0.000 1.022 964 R CB 0.602 30.827 30.300 -0.126 0.000 0.976 964 R HN 0.715 nan 8.270 nan 0.000 0.443 965 L N 3.021 124.126 121.223 -0.197 0.000 2.616 965 L HA 0.157 4.496 4.340 -0.001 0.000 0.229 965 L C 0.318 177.135 176.870 -0.087 0.000 1.110 965 L CA -0.040 54.705 54.840 -0.158 0.000 0.884 965 L CB 0.464 42.394 42.059 -0.215 0.000 1.115 965 L HN 0.711 nan 8.230 nan 0.000 0.481 966 T N -2.682 111.832 114.554 -0.066 0.000 2.885 966 T HA 0.470 4.819 4.350 -0.001 0.000 0.285 966 T C -0.243 174.450 174.700 -0.012 0.000 1.019 966 T CA -0.902 61.178 62.100 -0.034 0.000 1.010 966 T CB 2.396 71.250 68.868 -0.023 0.000 1.022 966 T HN -0.082 nan 8.240 nan 0.000 0.466 967 K N 0.877 121.276 120.400 -0.002 0.000 2.102 967 K HA 0.351 4.670 4.320 -0.001 0.000 0.244 967 K C 1.646 178.260 176.600 0.023 0.000 1.021 967 K CA -0.318 55.978 56.287 0.016 0.000 0.913 967 K CB 0.637 33.145 32.500 0.013 0.000 1.062 967 K HN 0.797 nan 8.250 nan 0.000 0.485 968 S N -0.554 115.169 115.700 0.038 0.000 2.442 968 S HA -0.158 4.311 4.470 -0.001 0.000 0.236 968 S C 1.741 176.355 174.600 0.024 0.000 1.007 968 S CA 1.521 59.742 58.200 0.034 0.000 0.965 968 S CB -0.412 62.815 63.200 0.044 0.000 0.773 968 S HN 0.632 nan 8.310 nan 0.000 0.504 969 S N 1.503 117.216 115.700 0.021 0.000 2.522 969 S HA 0.416 4.886 4.470 -0.001 0.000 0.227 969 S C 0.804 175.411 174.600 0.011 0.000 0.986 969 S CA 0.069 58.279 58.200 0.017 0.000 0.929 969 S CB -0.625 62.585 63.200 0.016 0.000 0.769 969 S HN 0.785 nan 8.310 nan 0.000 0.529 970 A N 1.894 124.720 122.820 0.009 0.000 2.404 970 A HA 0.385 4.704 4.320 -0.001 0.000 0.273 970 A C 1.239 178.829 177.584 0.010 0.000 1.144 970 A CA -0.429 51.611 52.037 0.005 0.000 0.806 970 A CB 0.243 19.243 19.000 -0.001 0.000 1.080 970 A HN 0.457 nan 8.150 nan 0.000 0.509 971 K N 1.843 122.248 120.400 0.008 0.000 2.063 971 K HA -0.088 4.231 4.320 -0.001 0.000 0.208 971 K C 0.093 176.702 176.600 0.015 0.000 1.048 971 K CA 1.649 57.943 56.287 0.011 0.000 0.928 971 K CB -0.023 32.481 32.500 0.007 0.000 0.713 971 K HN 0.644 nan 8.250 nan 0.000 0.442 972 T N 2.422 116.982 114.554 0.010 0.000 2.753 972 T HA 0.185 4.534 4.350 -0.001 0.000 0.297 972 T C -0.833 173.879 174.700 0.021 0.000 0.981 972 T CA -0.690 61.418 62.100 0.014 0.000 0.956 972 T CB 1.457 70.324 68.868 -0.002 0.000 0.936 972 T HN 0.091 nan 8.240 nan 0.000 0.463 973 Q N 2.720 122.551 119.800 0.050 0.000 2.340 973 Q HA 0.427 4.767 4.340 -0.001 0.000 0.249 973 Q C 0.065 176.113 176.000 0.080 0.000 0.957 973 Q CA 0.002 55.840 55.803 0.058 0.000 0.882 973 Q CB 1.344 30.125 28.738 0.072 0.000 1.235 973 Q HN 0.551 nan 8.270 nan 0.000 0.439 974 R N 0.234 120.750 120.500 0.027 0.000 2.628 974 R HA 0.657 4.996 4.340 -0.001 0.000 0.288 974 R C -1.124 175.130 176.300 -0.078 0.000 0.980 974 R CA -0.664 55.434 56.100 -0.002 0.000 0.891 974 R CB 1.875 32.143 30.300 -0.054 0.000 1.188 974 R HN 0.254 nan 8.270 nan 0.000 0.450 975 V N 1.447 121.310 119.914 -0.084 0.000 2.531 975 V HA 0.615 4.734 4.120 -0.001 0.000 0.301 975 V C 0.154 175.973 176.094 -0.458 0.000 1.034 975 V CA -0.827 61.297 62.300 -0.294 0.000 0.865 975 V CB 2.042 33.703 31.823 -0.270 0.000 0.995 975 V HN 0.947 nan 8.190 nan 0.000 0.424 976 G N 2.938 111.268 108.800 -0.783 0.000 2.371 976 G HA2 0.678 4.637 3.960 -0.001 0.000 0.326 976 G HA3 0.678 4.637 3.960 -0.001 0.000 0.326 976 G C -1.695 172.775 174.900 -0.716 0.000 1.127 976 G CA -0.323 44.175 45.100 -1.003 0.000 0.885 976 G HN 0.499 nan 8.290 nan 0.000 0.477 977 Y N 0.233 120.630 120.300 0.162 0.000 2.442 977 Y HA 0.483 5.032 4.550 -0.001 0.000 0.344 977 Y C -0.163 176.010 175.900 0.454 0.000 0.976 977 Y CA -0.906 57.374 58.100 0.300 0.000 1.040 977 Y CB 2.778 41.377 38.460 0.232 0.000 1.228 977 Y HN 0.345 nan 8.280 nan 0.000 0.451 978 V N 5.073 125.287 119.914 0.499 0.000 2.384 978 V HA 0.366 4.486 4.120 -0.001 0.000 0.287 978 V C -0.645 175.678 176.094 0.382 0.000 1.020 978 V CA -0.734 61.781 62.300 0.357 0.000 0.850 978 V CB 1.434 33.421 31.823 0.273 0.000 0.987 978 V HN 0.547 nan 8.190 nan 0.000 0.436 979 L N 4.814 126.246 121.223 0.348 0.000 2.296 979 L HA 0.558 4.897 4.340 -0.001 0.000 0.286 979 L C -0.705 176.358 176.870 0.322 0.000 1.023 979 L CA -0.333 54.706 54.840 0.332 0.000 0.812 979 L CB 1.451 43.704 42.059 0.324 0.000 1.223 979 L HN 0.778 nan 8.230 nan 0.000 0.421 980 H N 3.964 123.187 119.070 0.255 0.000 2.547 980 H HA 0.450 5.005 4.556 -0.001 0.000 0.342 980 H C -0.844 174.572 175.328 0.147 0.000 1.048 980 H CA -0.551 55.616 56.048 0.199 0.000 1.204 980 H CB 1.426 31.378 29.762 0.317 0.000 1.493 980 H HN 0.515 nan 8.280 nan 0.000 0.511 981 R N 4.329 124.458 120.500 -0.619 0.000 2.343 981 R HA 0.322 4.661 4.340 -0.001 0.000 0.320 981 R C -0.384 175.498 176.300 -0.696 0.000 0.956 981 R CA -0.470 55.363 56.100 -0.444 0.000 0.836 981 R CB 1.311 31.475 30.300 -0.227 0.000 1.151 981 R HN 0.763 nan 8.270 nan 0.000 0.450 982 T N 1.510 115.816 114.554 -0.413 0.000 2.833 982 T HA 0.212 4.561 4.350 -0.001 0.000 0.292 982 T C -0.567 173.965 174.700 -0.279 0.000 1.031 982 T CA -0.488 61.462 62.100 -0.249 0.000 0.937 982 T CB 0.641 69.445 68.868 -0.106 0.000 1.256 982 T HN 0.676 nan 8.240 nan 0.000 0.551 983 N N 0.542 119.101 118.700 -0.235 0.000 2.410 983 N HA 0.475 5.214 4.740 -0.001 0.000 0.287 983 N C -1.536 173.813 175.510 -0.268 0.000 1.044 983 N CA -0.494 52.352 53.050 -0.340 0.000 0.881 983 N CB 0.699 38.817 38.487 -0.616 0.000 1.405 983 N HN 0.481 nan 8.380 nan 0.000 0.490 984 L N 2.720 123.781 121.223 -0.269 0.000 2.334 984 L HA 0.546 4.885 4.340 -0.001 0.000 0.276 984 L C 0.436 177.183 176.870 -0.205 0.000 1.014 984 L CA -0.948 53.770 54.840 -0.204 0.000 0.815 984 L CB 1.683 43.631 42.059 -0.184 0.000 1.268 984 L HN 0.390 nan 8.230 nan 0.000 0.428 985 M N 2.313 121.813 119.600 -0.167 0.000 2.245 985 M HA 0.083 4.562 4.480 -0.001 0.000 0.344 985 M C -0.155 176.061 176.300 -0.141 0.000 1.170 985 M CA -0.134 55.071 55.300 -0.159 0.000 1.135 985 M CB 0.453 32.967 32.600 -0.143 0.000 1.574 985 M HN 0.446 nan 8.290 nan 0.000 0.452 986 Q N 2.087 121.807 119.800 -0.133 0.000 2.323 986 Q HA 0.172 4.511 4.340 -0.001 0.000 0.257 986 Q C -0.209 175.734 176.000 -0.095 0.000 1.022 986 Q CA 0.155 55.892 55.803 -0.110 0.000 0.919 986 Q CB 0.789 29.465 28.738 -0.103 0.000 1.220 986 Q HN 0.801 nan 8.270 nan 0.000 0.427 987 c N 0.546 119.093 118.600 -0.089 0.000 3.115 987 c HA 0.385 4.954 4.570 -0.001 0.000 0.277 987 c C 1.301 175.350 174.090 -0.067 0.000 1.460 987 c CA 0.049 56.330 56.329 -0.079 0.000 1.789 987 c CB -0.302 42.156 42.510 -0.087 0.000 2.674 987 c HN 0.991 nan 8.230 nan 0.000 0.582 988 G N 1.134 109.895 108.800 -0.065 0.000 2.176 988 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.232 988 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.232 988 G C 0.033 174.898 174.900 -0.057 0.000 0.986 988 G CA 0.283 45.349 45.100 -0.057 0.000 0.643 988 G HN 0.425 nan 8.290 nan 0.000 0.522 989 T N 2.248 116.764 114.554 -0.064 0.000 2.729 989 T HA 0.459 4.808 4.350 -0.001 0.000 0.296 989 T C -0.541 174.116 174.700 -0.072 0.000 0.928 989 T CA -0.457 61.604 62.100 -0.064 0.000 1.045 989 T CB 1.744 70.573 68.868 -0.066 0.000 0.902 989 T HN 0.014 nan 8.240 nan 0.000 0.500 990 P HA -0.135 nan 4.420 nan 0.000 0.217 990 P C 0.053 177.291 177.300 -0.104 0.000 1.148 990 P CA 0.596 63.648 63.100 -0.080 0.000 0.834 990 P CB -0.096 31.560 31.700 -0.074 0.000 0.783 991 E N 0.146 120.276 120.200 -0.117 0.000 1.259 991 E HA -0.224 4.125 4.350 -0.001 0.000 0.290 991 E C 0.282 176.775 176.600 -0.178 0.000 1.244 991 E CA 0.454 56.767 56.400 -0.145 0.000 1.031 991 E CB -0.379 29.256 29.700 -0.109 0.000 0.765 991 E HN 0.456 nan 8.360 nan 0.000 0.317 992 E N 1.327 121.349 120.200 -0.295 0.000 3.617 992 E HA 0.065 4.414 4.350 -0.001 0.000 0.351 992 E C 0.151 176.583 176.600 -0.280 0.000 0.551 992 E CA -0.230 56.001 56.400 -0.282 0.000 2.098 992 E CB -0.479 29.063 29.700 -0.264 0.000 2.118 992 E HN 0.692 nan 8.360 nan 0.000 0.450 993 H N 1.352 120.414 119.070 -0.013 0.000 2.671 993 H HA -0.029 4.526 4.556 -0.001 0.000 0.236 993 H C -0.340 174.994 175.328 0.010 0.000 0.624 993 H CA 0.619 56.664 56.048 -0.005 0.000 1.349 993 H CB -1.736 28.020 29.762 -0.010 0.000 1.417 993 H HN 0.204 nan 8.280 nan 0.000 0.445 994 T N 0.564 115.202 114.554 0.139 0.000 2.896 994 T HA 0.565 4.914 4.350 -0.001 0.000 0.297 994 T C -0.410 174.341 174.700 0.084 0.000 1.108 994 T CA -1.315 60.858 62.100 0.122 0.000 1.004 994 T CB 2.286 71.205 68.868 0.086 0.000 1.159 994 T HN 0.657 nan 8.240 nan 0.000 0.499 995 Q N 1.002 120.855 119.800 0.087 0.000 2.226 995 Q HA 0.499 4.839 4.340 -0.001 0.000 0.256 995 Q C -0.412 175.614 176.000 0.043 0.000 0.962 995 Q CA -1.283 54.556 55.803 0.060 0.000 0.887 995 Q CB 1.263 30.041 28.738 0.067 0.000 1.282 995 Q HN 0.364 nan 8.270 nan 0.000 0.449 996 K N 1.466 121.878 120.400 0.020 0.000 2.401 996 K HA 0.144 4.463 4.320 -0.001 0.000 0.278 996 K C -0.664 175.937 176.600 0.002 0.000 1.018 996 K CA -0.317 55.973 56.287 0.005 0.000 0.981 996 K CB 0.396 32.888 32.500 -0.014 0.000 0.933 996 K HN 0.394 nan 8.250 nan 0.000 0.477 997 L N 3.175 124.396 121.223 -0.002 0.000 2.265 997 L HA 0.245 4.585 4.340 -0.001 0.000 0.289 997 L C -0.725 176.108 176.870 -0.062 0.000 1.033 997 L CA -0.252 54.579 54.840 -0.016 0.000 0.814 997 L CB 0.980 43.043 42.059 0.006 0.000 1.203 997 L HN 0.439 nan 8.230 nan 0.000 0.423 998 D N 3.533 123.888 120.400 -0.075 0.000 2.472 998 D HA 0.169 4.808 4.640 -0.001 0.000 0.234 998 D C 1.075 177.274 176.300 -0.168 0.000 1.088 998 D CA -0.285 53.648 54.000 -0.113 0.000 0.882 998 D CB 1.240 42.017 40.800 -0.038 0.000 1.037 998 D HN 0.384 nan 8.370 nan 0.000 0.520 999 V N 1.422 121.140 119.914 -0.327 0.000 2.594 999 V HA -0.178 3.941 4.120 -0.001 0.000 0.253 999 V C 2.123 177.908 176.094 -0.515 0.000 1.069 999 V CA 1.065 62.997 62.300 -0.614 0.000 1.082 999 V CB -1.080 30.082 31.823 -1.102 0.000 0.680 999 V HN 0.617 nan 8.190 nan 0.000 0.469 1000 c N 0.542 118.968 118.600 -0.290 0.000 2.437 1000 c HA 0.016 4.585 4.570 -0.001 0.000 0.283 1000 c C 2.131 176.104 174.090 -0.196 0.000 1.424 1000 c CA 1.236 57.458 56.329 -0.178 0.000 1.782 1000 c CB -1.744 40.651 42.510 -0.192 0.000 1.833 1000 c HN 0.768 nan 8.230 nan 0.000 0.532 1001 H N -0.937 118.103 119.070 -0.050 0.000 2.520 1001 H HA 0.257 4.812 4.556 -0.001 0.000 0.284 1001 H C 1.708 177.063 175.328 0.045 0.000 1.037 1001 H CA -0.002 56.059 56.048 0.022 0.000 1.168 1001 H CB 0.049 29.807 29.762 -0.007 0.000 1.497 1001 H HN 0.350 nan 8.280 nan 0.000 0.547 1002 L N -0.167 121.104 121.223 0.081 0.000 2.141 1002 L HA -0.028 4.312 4.340 -0.001 0.000 0.209 1002 L C 0.193 177.195 176.870 0.221 0.000 1.094 1002 L CA 0.893 55.809 54.840 0.125 0.000 0.763 1002 L CB 0.103 42.206 42.059 0.075 0.000 0.908 1002 L HN 0.213 nan 8.230 nan 0.000 0.437 1003 L N 0.089 121.397 121.223 0.142 0.000 2.331 1003 L HA 0.379 4.718 4.340 -0.001 0.000 0.275 1003 L C -2.023 174.878 176.870 0.051 0.000 1.022 1003 L CA -1.976 52.870 54.840 0.009 0.000 0.812 1003 L CB 1.522 43.339 42.059 -0.402 0.000 1.257 1003 L HN -0.195 nan 8.230 nan 0.000 0.435 1004 P HA 0.101 nan 4.420 nan 0.000 0.274 1004 P C -0.819 176.598 177.300 0.195 0.000 1.256 1004 P CA -0.240 62.930 63.100 0.117 0.000 0.795 1004 P CB 0.375 32.122 31.700 0.078 0.000 1.038 1005 N N -3.296 115.499 118.700 0.159 0.000 2.735 1005 N HA -0.158 4.581 4.740 -0.001 0.000 0.248 1005 N C 0.093 175.686 175.510 0.138 0.000 1.083 1005 N CA 0.117 53.251 53.050 0.139 0.000 0.703 1005 N CB -1.963 36.595 38.487 0.119 0.000 1.005 1005 N HN 0.262 nan 8.380 nan 0.000 0.550 1006 V N -0.075 119.884 119.914 0.075 0.000 2.655 1006 V HA 0.377 4.496 4.120 -0.001 0.000 0.300 1006 V C 1.154 177.147 176.094 -0.169 0.000 1.044 1006 V CA 1.142 63.309 62.300 -0.221 0.000 1.095 1006 V CB 1.238 32.834 31.823 -0.378 0.000 0.952 1006 V HN 0.414 nan 8.190 nan 0.000 0.485 1007 A N 6.980 129.675 122.820 -0.208 0.000 2.358 1007 A HA 0.496 4.816 4.320 -0.001 0.000 0.223 1007 A C 0.867 178.406 177.584 -0.074 0.000 1.218 1007 A CA -0.056 51.923 52.037 -0.097 0.000 0.942 1007 A CB 0.266 19.228 19.000 -0.063 0.000 1.005 1007 A HN 0.772 nan 8.150 nan 0.000 0.514 1008 R N -1.512 118.911 120.500 -0.128 0.000 2.634 1008 R HA 0.484 4.823 4.340 -0.001 0.000 0.263 1008 R C -2.353 173.889 176.300 -0.097 0.000 1.060 1008 R CA -0.311 55.760 56.100 -0.047 0.000 0.898 1008 R CB 1.525 31.840 30.300 0.025 0.000 1.253 1008 R HN 0.296 nan 8.270 nan 0.000 0.461 1009 c N 2.801 121.363 118.600 -0.064 0.000 2.481 1009 c HA 0.605 5.174 4.570 -0.001 0.000 0.324 1009 c C -1.208 172.902 174.090 0.033 0.000 1.170 1009 c CA -0.208 56.096 56.329 -0.042 0.000 1.361 1009 c CB 1.222 43.672 42.510 -0.101 0.000 1.977 1009 c HN 0.921 nan 8.230 nan 0.000 0.459 1010 E N 2.931 123.207 120.200 0.127 0.000 2.266 1010 E HA 0.461 4.810 4.350 -0.001 0.000 0.268 1010 E C -0.971 175.788 176.600 0.264 0.000 0.879 1010 E CA -0.626 55.879 56.400 0.174 0.000 0.762 1010 E CB 1.936 31.726 29.700 0.150 0.000 1.199 1010 E HN 0.650 nan 8.360 nan 0.000 0.422 1011 R N 1.439 122.078 120.500 0.231 0.000 2.357 1011 R HA 0.377 4.716 4.340 -0.001 0.000 0.296 1011 R C -0.528 175.804 176.300 0.053 0.000 1.052 1011 R CA 0.064 56.237 56.100 0.121 0.000 0.988 1011 R CB 0.714 31.058 30.300 0.074 0.000 1.025 1011 R HN 0.706 nan 8.270 nan 0.000 0.469 1012 T N -0.405 114.154 114.554 0.008 0.000 2.864 1012 T HA 0.369 4.718 4.350 -0.001 0.000 0.289 1012 T C 0.092 174.773 174.700 -0.032 0.000 1.082 1012 T CA -0.791 61.334 62.100 0.041 0.000 1.009 1012 T CB 1.315 70.279 68.868 0.160 0.000 1.234 1012 T HN 0.611 nan 8.240 nan 0.000 0.526 1013 T N 0.078 114.617 114.554 -0.024 0.000 2.795 1013 T HA 0.248 4.597 4.350 -0.001 0.000 0.314 1013 T C 1.597 176.210 174.700 -0.144 0.000 1.069 1013 T CA -0.752 61.309 62.100 -0.064 0.000 1.071 1013 T CB -0.058 68.791 68.868 -0.033 0.000 0.988 1013 T HN 0.561 nan 8.240 nan 0.000 0.543 1014 L N 0.921 122.043 121.223 -0.168 0.000 2.362 1014 L HA -0.022 4.317 4.340 -0.001 0.000 0.219 1014 L C 2.728 179.299 176.870 -0.498 0.000 1.134 1014 L CA 1.308 55.977 54.840 -0.285 0.000 0.807 1014 L CB -1.061 40.916 42.059 -0.138 0.000 0.927 1014 L HN 0.971 nan 8.230 nan 0.000 0.447 1015 T N -4.995 109.373 114.554 -0.310 0.000 3.107 1015 T HA 0.081 4.430 4.350 -0.001 0.000 0.249 1015 T C 0.823 175.431 174.700 -0.154 0.000 1.096 1015 T CA -0.256 61.702 62.100 -0.237 0.000 1.012 1015 T CB -0.271 68.582 68.868 -0.026 0.000 0.977 1015 T HN 0.299 nan 8.240 nan 0.000 0.527 1016 F N -0.591 119.372 119.950 0.022 0.000 2.871 1016 F HA -0.230 4.297 4.527 -0.001 0.000 0.326 1016 F C 1.132 176.934 175.800 0.003 0.000 0.675 1016 F CA 0.155 58.161 58.000 0.010 0.000 1.188 1016 F CB -2.137 36.865 39.000 0.003 0.000 1.567 1016 F HN 0.207 nan 8.300 nan 0.000 0.325 1017 L N -0.533 120.766 121.223 0.127 0.000 2.492 1017 L HA 0.048 4.387 4.340 -0.001 0.000 0.223 1017 L C 1.036 177.932 176.870 0.042 0.000 1.132 1017 L CA 1.065 55.949 54.840 0.074 0.000 0.850 1017 L CB 0.050 42.134 42.059 0.043 0.000 0.966 1017 L HN 0.332 nan 8.230 nan 0.000 0.454 1018 Q N 0.445 120.270 119.800 0.042 0.000 2.305 1018 Q HA 0.265 4.604 4.340 -0.001 0.000 0.271 1018 Q C -1.195 174.827 176.000 0.036 0.000 1.046 1018 Q CA -0.708 55.108 55.803 0.022 0.000 0.798 1018 Q CB 1.885 30.620 28.738 -0.005 0.000 1.286 1018 Q HN 0.077 nan 8.270 nan 0.000 0.435 1019 N N 4.364 123.085 118.700 0.036 0.000 2.470 1019 N HA 0.184 4.923 4.740 -0.001 0.000 0.268 1019 N C 0.327 175.859 175.510 0.037 0.000 1.136 1019 N CA 0.219 53.300 53.050 0.051 0.000 0.961 1019 N CB 1.068 39.587 38.487 0.053 0.000 1.067 1019 N HN 0.639 nan 8.380 nan 0.000 0.468 1020 L N 0.549 121.797 121.223 0.041 0.000 2.537 1020 L HA 0.293 4.633 4.340 -0.001 0.000 0.224 1020 L C 0.636 177.535 176.870 0.048 0.000 1.065 1020 L CA 0.409 55.266 54.840 0.028 0.000 0.860 1020 L CB 0.320 42.383 42.059 0.007 0.000 1.086 1020 L HN 0.517 nan 8.230 nan 0.000 0.482 1021 E N -0.549 119.698 120.200 0.078 0.000 2.321 1021 E HA 0.157 4.506 4.350 -0.001 0.000 0.281 1021 E C -1.376 175.311 176.600 0.145 0.000 0.910 1021 E CA -0.642 55.818 56.400 0.100 0.000 0.770 1021 E CB 1.591 31.342 29.700 0.086 0.000 1.225 1021 E HN 0.044 nan 8.360 nan 0.000 0.417 1022 H N 4.619 123.715 119.070 0.044 0.000 2.668 1022 H HA 0.364 4.919 4.556 -0.001 0.000 0.303 1022 H C -0.959 174.395 175.328 0.043 0.000 1.074 1022 H CA -0.061 56.010 56.048 0.039 0.000 1.406 1022 H CB 0.426 30.201 29.762 0.022 0.000 1.442 1022 H HN 0.358 nan 8.280 nan 0.000 0.482 1023 L N 4.879 125.922 121.223 -0.301 0.000 2.276 1023 L HA 0.208 4.548 4.340 -0.001 0.000 0.286 1023 L C 0.091 176.786 176.870 -0.291 0.000 1.061 1023 L CA -0.897 53.815 54.840 -0.214 0.000 0.807 1023 L CB 0.894 42.899 42.059 -0.090 0.000 1.177 1023 L HN 0.656 nan 8.230 nan 0.000 0.429 1024 D N 2.608 122.913 120.400 -0.160 0.000 2.455 1024 D HA 0.163 4.802 4.640 -0.001 0.000 0.241 1024 D C 1.195 177.448 176.300 -0.077 0.000 1.138 1024 D CA 1.135 55.071 54.000 -0.108 0.000 0.877 1024 D CB 1.213 41.984 40.800 -0.048 0.000 1.187 1024 D HN 0.823 nan 8.370 nan 0.000 0.451 1025 G N 2.866 111.634 108.800 -0.054 0.000 2.180 1025 G HA2 -0.409 3.551 3.960 -0.001 0.000 0.263 1025 G HA3 -0.409 3.551 3.960 -0.001 0.000 0.263 1025 G C 0.771 175.689 174.900 0.030 0.000 0.989 1025 G CA 0.525 45.620 45.100 -0.009 0.000 0.692 1025 G HN 0.652 nan 8.290 nan 0.000 0.526 1026 M N -2.663 116.910 119.600 -0.044 0.000 2.461 1026 M HA -0.193 4.287 4.480 -0.001 0.000 0.203 1026 M C 0.086 176.398 176.300 0.020 0.000 0.428 1026 M CA 0.888 56.155 55.300 -0.055 0.000 0.509 1026 M CB -1.639 30.920 32.600 -0.068 0.000 1.851 1026 M HN 0.208 nan 8.290 nan 0.000 0.834 1027 V N 0.517 120.427 119.914 -0.007 0.000 2.459 1027 V HA 0.770 4.889 4.120 -0.001 0.000 0.295 1027 V C 0.493 176.501 176.094 -0.143 0.000 1.029 1027 V CA -0.401 61.889 62.300 -0.017 0.000 0.874 1027 V CB 1.885 33.695 31.823 -0.021 0.000 0.985 1027 V HN 0.370 nan 8.190 nan 0.000 0.438 1028 A N 7.387 130.045 122.820 -0.270 0.000 2.269 1028 A HA 0.785 5.105 4.320 -0.001 0.000 0.302 1028 A C -2.534 174.806 177.584 -0.407 0.000 1.266 1028 A CA -1.511 50.162 52.037 -0.606 0.000 0.894 1028 A CB 0.245 18.572 19.000 -1.121 0.000 1.147 1028 A HN 0.638 nan 8.150 nan 0.000 0.537 1029 P HA 0.215 nan 4.420 nan 0.000 0.275 1029 P C -0.156 177.137 177.300 -0.011 0.000 1.227 1029 P CA -0.142 62.919 63.100 -0.066 0.000 0.781 1029 P CB 0.617 32.330 31.700 0.021 0.000 0.906 1030 E N 0.295 120.497 120.200 0.002 0.000 2.392 1030 E HA 0.235 4.584 4.350 -0.001 0.000 0.256 1030 E C 0.231 176.880 176.600 0.082 0.000 1.145 1030 E CA -0.803 55.625 56.400 0.046 0.000 0.929 1030 E CB 0.409 30.120 29.700 0.018 0.000 0.998 1030 E HN 0.299 nan 8.360 nan 0.000 0.442 1031 V N -1.533 118.434 119.914 0.088 0.000 3.109 1031 V HA 0.340 4.459 4.120 -0.001 0.000 0.317 1031 V C 0.142 176.239 176.094 0.004 0.000 1.074 1031 V CA -1.061 61.277 62.300 0.064 0.000 1.033 1031 V CB 1.223 33.089 31.823 0.072 0.000 1.111 1031 V HN 0.743 nan 8.190 nan 0.000 0.458 1032 c N 2.097 120.694 118.600 -0.005 0.000 2.500 1032 c HA 0.466 5.036 4.570 -0.001 0.000 0.367 1032 c C -2.112 171.923 174.090 -0.093 0.000 1.283 1032 c CA -0.382 55.926 56.329 -0.035 0.000 2.456 1032 c CB 0.065 42.572 42.510 -0.006 0.000 2.457 1032 c HN 0.817 nan 8.230 nan 0.000 0.632 1033 P HA 0.060 nan 4.420 nan 0.000 0.264 1033 P C 0.246 177.393 177.300 -0.256 0.000 1.193 1033 P CA 0.907 63.871 63.100 -0.226 0.000 0.763 1033 P CB 0.183 31.731 31.700 -0.253 0.000 0.810 1034 M N -1.285 118.114 119.600 -0.335 0.000 2.943 1034 M HA -0.212 4.267 4.480 -0.001 0.000 0.198 1034 M C 0.246 176.532 176.300 -0.023 0.000 0.606 1034 M CA 1.194 56.282 55.300 -0.353 0.000 0.744 1034 M CB -2.434 29.655 32.600 -0.851 0.000 2.671 1034 M HN 0.491 nan 8.290 nan 0.000 0.342 1035 E N 0.520 120.703 120.200 -0.027 0.000 2.227 1035 E HA 0.609 4.958 4.350 -0.001 0.000 0.268 1035 E C -0.647 176.009 176.600 0.093 0.000 0.990 1035 E CA -0.230 56.236 56.400 0.109 0.000 0.856 1035 E CB 1.594 31.327 29.700 0.054 0.000 1.159 1035 E HN 0.188 nan 8.360 nan 0.000 0.401 1036 T N 1.429 116.058 114.554 0.125 0.000 2.921 1036 T HA 0.695 5.044 4.350 -0.001 0.000 0.297 1036 T C -1.237 173.466 174.700 0.005 0.000 1.013 1036 T CA -0.559 61.620 62.100 0.131 0.000 0.990 1036 T CB 1.509 70.465 68.868 0.146 0.000 1.023 1036 T HN 0.625 nan 8.240 nan 0.000 0.447 1037 A N 1.880 124.703 122.820 0.005 0.000 2.479 1037 A HA 1.015 5.334 4.320 -0.001 0.000 0.296 1037 A C -1.073 176.393 177.584 -0.196 0.000 1.121 1037 A CA -0.945 50.995 52.037 -0.163 0.000 0.743 1037 A CB 1.539 20.394 19.000 -0.242 0.000 1.323 1037 A HN 1.137 nan 8.150 nan 0.000 0.415 1038 A N 0.079 122.689 122.820 -0.351 0.000 2.386 1038 A HA 0.819 5.138 4.320 -0.001 0.000 0.311 1038 A C -1.526 175.892 177.584 -0.278 0.000 1.068 1038 A CA -0.356 51.605 52.037 -0.127 0.000 0.743 1038 A CB 0.782 19.723 19.000 -0.098 0.000 1.258 1038 A HN 0.848 nan 8.150 nan 0.000 0.429 1039 Y N 0.120 120.639 120.300 0.365 0.000 2.512 1039 Y HA 0.586 5.136 4.550 -0.001 0.000 0.348 1039 Y C -0.261 175.818 175.900 0.297 0.000 0.990 1039 Y CA -0.925 57.340 58.100 0.275 0.000 1.033 1039 Y CB 2.629 41.206 38.460 0.195 0.000 1.259 1039 Y HN 0.429 nan 8.280 nan 0.000 0.461 1040 V N 2.298 122.416 119.914 0.340 0.000 2.531 1040 V HA 0.485 4.604 4.120 -0.001 0.000 0.301 1040 V C -0.727 175.447 176.094 0.133 0.000 1.034 1040 V CA -0.882 61.509 62.300 0.151 0.000 0.865 1040 V CB 1.831 33.681 31.823 0.046 0.000 0.995 1040 V HN 0.825 nan 8.190 nan 0.000 0.424 1041 S N 3.261 119.041 115.700 0.134 0.000 2.525 1041 S HA 0.756 5.225 4.470 -0.001 0.000 0.290 1041 S C -0.310 174.213 174.600 -0.129 0.000 1.152 1041 S CA -0.631 57.573 58.200 0.007 0.000 1.072 1041 S CB 1.721 65.002 63.200 0.136 0.000 1.027 1041 S HN 0.555 nan 8.310 nan 0.000 0.500 1042 S N 2.205 117.703 115.700 -0.337 0.000 2.472 1042 S HA 0.532 5.001 4.470 -0.001 0.000 0.303 1042 S C -0.951 173.287 174.600 -0.602 0.000 1.099 1042 S CA -0.772 57.258 58.200 -0.282 0.000 1.077 1042 S CB 0.516 63.639 63.200 -0.129 0.000 1.031 1042 S HN 0.771 nan 8.310 nan 0.000 0.487 1043 H N 0.960 120.019 119.070 -0.018 0.000 2.589 1043 H HA 0.427 4.983 4.556 -0.001 0.000 0.351 1043 H C -0.082 175.242 175.328 -0.007 0.000 1.074 1043 H CA -0.609 55.431 56.048 -0.014 0.000 1.203 1043 H CB 1.757 31.512 29.762 -0.011 0.000 1.558 1043 H HN 0.673 nan 8.280 nan 0.000 0.522 1044 S N 0.000 115.742 115.700 0.070 0.000 2.498 1044 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.228 58.200 0.046 0.000 1.107 1044 S CB 0.000 63.215 63.200 0.025 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517