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 2f1a_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 SSHSS 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 0.000 174.103 174.090 0.022 0.000 1.270 31 c CA 0.000 56.337 56.329 0.013 0.000 1.963 31 c CB 0.000 42.504 42.510 -0.010 0.000 2.134 32 Q N 1.442 121.271 119.800 0.048 0.000 2.392 32 Q HA 0.165 4.505 4.340 -0.001 0.000 0.262 32 Q C -0.214 175.817 176.000 0.051 0.000 1.003 32 Q CA 0.328 56.174 55.803 0.072 0.000 0.888 32 Q CB 0.871 29.689 28.738 0.135 0.000 1.260 32 Q HN 0.669 nan 8.270 nan 0.000 0.435 33 D N 1.598 122.030 120.400 0.054 0.000 2.316 33 D HA 0.071 4.710 4.640 -0.001 0.000 0.245 33 D C 0.467 176.812 176.300 0.075 0.000 1.171 33 D CA -0.294 53.718 54.000 0.020 0.000 0.856 33 D CB 1.311 42.122 40.800 0.018 0.000 1.090 33 D HN 0.376 nan 8.370 nan 0.000 0.476 34 V N 2.239 122.149 119.914 -0.006 0.000 3.633 34 V HA 0.092 4.212 4.120 -0.001 0.000 0.283 34 V C 1.044 177.179 176.094 0.069 0.000 1.305 34 V CA 0.125 62.481 62.300 0.093 0.000 1.153 34 V CB 0.113 31.820 31.823 -0.193 0.000 0.950 34 V HN 0.393 nan 8.190 nan 0.000 0.432 35 V N -0.086 119.789 119.914 -0.064 0.000 3.013 35 V HA 0.093 4.212 4.120 -0.001 0.000 0.238 35 V C 2.279 178.360 176.094 -0.023 0.000 1.161 35 V CA 1.149 63.370 62.300 -0.131 0.000 1.170 35 V CB 0.066 31.760 31.823 -0.214 0.000 0.917 35 V HN 0.484 nan 8.190 nan 0.000 0.478 36 Q N -0.142 119.687 119.800 0.047 0.000 2.392 36 Q HA 0.116 4.455 4.340 -0.001 0.000 0.203 36 Q C -0.471 175.612 176.000 0.138 0.000 0.917 36 Q CA 0.334 56.185 55.803 0.081 0.000 0.939 36 Q CB 0.526 29.283 28.738 0.033 0.000 1.063 36 Q HN 0.500 nan 8.270 nan 0.000 0.516 37 D N 1.310 121.824 120.400 0.191 0.000 2.460 37 D HA 0.170 4.809 4.640 -0.001 0.000 0.232 37 D C -0.695 175.715 176.300 0.185 0.000 1.079 37 D CA -0.251 53.846 54.000 0.162 0.000 0.864 37 D CB 1.998 42.872 40.800 0.124 0.000 1.048 37 D HN -0.164 nan 8.370 nan 0.000 0.523 38 V N 4.408 124.400 119.914 0.130 0.000 2.446 38 V HA 0.104 4.224 4.120 -0.001 0.000 0.276 38 V C -1.796 174.274 176.094 -0.039 0.000 1.030 38 V CA -1.017 61.278 62.300 -0.008 0.000 1.033 38 V CB 0.251 32.076 31.823 0.004 0.000 0.993 38 V HN 0.297 nan 8.190 nan 0.000 0.477 39 P HA 0.111 nan 4.420 nan 0.000 0.269 39 P C -0.473 176.797 177.300 -0.050 0.000 1.209 39 P CA -0.198 62.870 63.100 -0.054 0.000 0.776 39 P CB 0.374 32.025 31.700 -0.082 0.000 0.876 40 N N 2.479 121.166 118.700 -0.023 0.000 2.439 40 N HA 0.358 5.097 4.740 -0.001 0.000 0.249 40 N C -1.122 174.379 175.510 -0.016 0.000 1.003 40 N CA -0.473 52.567 53.050 -0.018 0.000 0.942 40 N CB 0.201 38.686 38.487 -0.003 0.000 1.115 40 N HN 0.130 nan 8.380 nan 0.000 0.505 41 V N 0.468 120.366 119.914 -0.027 0.000 3.001 41 V HA 0.545 4.665 4.120 -0.001 0.000 0.314 41 V C 0.482 176.560 176.094 -0.025 0.000 1.099 41 V CA -0.746 61.541 62.300 -0.022 0.000 0.989 41 V CB 2.071 33.870 31.823 -0.041 0.000 1.040 41 V HN 0.414 nan 8.190 nan 0.000 0.434 42 D N 0.966 121.357 120.400 -0.014 0.000 2.149 42 D HA 0.034 4.674 4.640 -0.001 0.000 0.201 42 D C 0.501 176.770 176.300 -0.052 0.000 0.972 42 D CA 1.559 55.548 54.000 -0.019 0.000 0.835 42 D CB 0.496 41.300 40.800 0.008 0.000 0.966 42 D HN 0.418 nan 8.370 nan 0.000 0.476 43 V N 1.490 121.352 119.914 -0.088 0.000 2.483 43 V HA 0.216 4.335 4.120 -0.001 0.000 0.297 43 V C -0.390 175.608 176.094 -0.160 0.000 1.027 43 V CA -0.747 61.471 62.300 -0.137 0.000 0.855 43 V CB 2.413 34.108 31.823 -0.213 0.000 0.995 43 V HN -0.085 nan 8.190 nan 0.000 0.424 44 Q N 4.684 124.401 119.800 -0.137 0.000 2.327 44 Q HA 0.426 4.766 4.340 -0.001 0.000 0.270 44 Q C 0.460 176.364 176.000 -0.160 0.000 1.022 44 Q CA -0.699 55.016 55.803 -0.147 0.000 0.773 44 Q CB 1.878 30.550 28.738 -0.110 0.000 1.251 44 Q HN 0.680 nan 8.270 nan 0.000 0.457 45 M N 3.042 122.500 119.600 -0.237 0.000 2.202 45 M HA -0.181 4.298 4.480 -0.001 0.000 0.262 45 M C 1.599 177.800 176.300 -0.166 0.000 1.063 45 M CA 1.061 56.210 55.300 -0.250 0.000 1.097 45 M CB -0.839 31.481 32.600 -0.468 0.000 1.382 45 M HN 0.571 nan 8.290 nan 0.000 0.413 46 L N 0.598 121.716 121.223 -0.175 0.000 2.093 46 L HA -0.119 4.220 4.340 -0.001 0.000 0.208 46 L C 2.481 179.344 176.870 -0.011 0.000 1.085 46 L CA 1.782 56.550 54.840 -0.121 0.000 0.755 46 L CB -0.644 41.320 42.059 -0.159 0.000 0.904 46 L HN 0.260 nan 8.230 nan 0.000 0.435 47 E N -0.370 119.810 120.200 -0.034 0.000 2.072 47 E HA -0.229 4.121 4.350 -0.001 0.000 0.191 47 E C 2.194 178.807 176.600 0.022 0.000 0.985 47 E CA 1.410 57.804 56.400 -0.010 0.000 0.801 47 E CB -0.277 29.402 29.700 -0.035 0.000 0.750 47 E HN 0.441 nan 8.360 nan 0.000 0.452 48 L N 0.449 121.685 121.223 0.021 0.000 2.017 48 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 48 L C 2.295 179.234 176.870 0.115 0.000 1.073 48 L CA 1.682 56.541 54.840 0.032 0.000 0.745 48 L CB -0.969 41.097 42.059 0.013 0.000 0.894 48 L HN 0.128 nan 8.230 nan 0.000 0.432 49 Y N -0.132 120.171 120.300 0.006 0.000 2.207 49 Y HA -0.253 4.296 4.550 -0.001 0.000 0.287 49 Y C 2.532 178.525 175.900 0.156 0.000 1.156 49 Y CA 1.721 59.912 58.100 0.152 0.000 1.182 49 Y CB -0.616 37.937 38.460 0.155 0.000 0.979 49 Y HN 0.368 nan 8.280 nan 0.000 0.521 50 D N -0.524 119.990 120.400 0.189 0.000 2.178 50 D HA -0.112 4.527 4.640 -0.001 0.000 0.202 50 D C 2.001 178.343 176.300 0.071 0.000 0.974 50 D CA 1.166 55.232 54.000 0.110 0.000 0.841 50 D CB 0.083 40.920 40.800 0.063 0.000 0.953 50 D HN 0.248 nan 8.370 nan 0.000 0.478 51 R N -1.035 119.489 120.500 0.040 0.000 2.140 51 R HA 0.201 4.541 4.340 -0.001 0.000 0.213 51 R C 0.902 177.182 176.300 -0.034 0.000 1.059 51 R CA 0.049 56.147 56.100 -0.003 0.000 1.000 51 R CB 0.028 30.312 30.300 -0.027 0.000 0.910 51 R HN 0.191 nan 8.270 nan 0.000 0.455 52 M N 0.891 120.439 119.600 -0.086 0.000 2.252 52 M HA -0.068 4.412 4.480 -0.001 0.000 0.333 52 M C 1.339 177.592 176.300 -0.079 0.000 1.111 52 M CA 0.332 55.486 55.300 -0.244 0.000 1.140 52 M CB 1.219 33.380 32.600 -0.733 0.000 1.538 52 M HN 0.124 nan 8.290 nan 0.000 0.448 53 S N 1.602 117.238 115.700 -0.107 0.000 2.486 53 S HA 0.063 4.532 4.470 -0.001 0.000 0.220 53 S C 0.669 175.377 174.600 0.180 0.000 1.011 53 S CA -0.154 58.074 58.200 0.045 0.000 0.921 53 S CB -0.189 63.019 63.200 0.013 0.000 0.785 53 S HN 0.774 nan 8.310 nan 0.000 0.517 54 F N 0.871 120.752 119.950 -0.115 0.000 3.093 54 F HA -0.148 4.378 4.527 -0.001 0.000 0.287 54 F C 0.201 176.017 175.800 0.028 0.000 0.882 54 F CA 0.389 58.329 58.000 -0.100 0.000 1.063 54 F CB -1.831 37.085 39.000 -0.140 0.000 1.097 54 F HN 0.104 nan 8.300 nan 0.000 0.604 55 K N 1.059 121.544 120.400 0.141 0.000 2.350 55 K HA 0.166 4.485 4.320 -0.001 0.000 0.279 55 K C 0.241 176.957 176.600 0.193 0.000 1.027 55 K CA -0.145 56.228 56.287 0.143 0.000 0.969 55 K CB 0.605 33.150 32.500 0.074 0.000 0.954 55 K HN 0.084 nan 8.250 nan 0.000 0.474 56 D N 3.479 124.002 120.400 0.204 0.000 2.557 56 D HA 0.182 4.821 4.640 -0.001 0.000 0.236 56 D C -0.279 176.064 176.300 0.072 0.000 1.154 56 D CA -0.509 53.612 54.000 0.201 0.000 0.985 56 D CB -0.552 40.376 40.800 0.213 0.000 1.010 56 D HN 0.469 nan 8.370 nan 0.000 0.516 57 I N -1.451 119.150 120.570 0.051 0.000 2.577 57 I HA 0.504 4.674 4.170 -0.001 0.000 0.305 57 I C 0.123 176.229 176.117 -0.018 0.000 0.986 57 I CA -1.012 60.296 61.300 0.014 0.000 1.189 57 I CB 1.435 39.444 38.000 0.015 0.000 1.355 57 I HN -0.126 nan 8.210 nan 0.000 0.476 58 D N 3.906 124.295 120.400 -0.019 0.000 2.342 58 D HA 0.156 4.795 4.640 -0.001 0.000 0.260 58 D C 0.994 177.280 176.300 -0.023 0.000 1.278 58 D CA 0.119 54.102 54.000 -0.028 0.000 0.910 58 D CB 1.399 42.190 40.800 -0.014 0.000 1.079 58 D HN 0.833 nan 8.370 nan 0.000 0.496 59 G N 2.423 111.191 108.800 -0.053 0.000 2.985 59 G HA2 0.423 4.383 3.960 -0.001 0.000 0.209 59 G HA3 0.423 4.383 3.960 -0.001 0.000 0.209 59 G C 0.890 175.791 174.900 0.003 0.000 1.165 59 G CA 0.369 45.442 45.100 -0.044 0.000 0.776 59 G HN 0.905 nan 8.290 nan 0.000 0.541 60 G N -0.617 108.189 108.800 0.010 0.000 2.464 60 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.216 60 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.216 60 G C 1.166 176.087 174.900 0.037 0.000 1.186 60 G CA 0.644 45.763 45.100 0.031 0.000 1.010 60 G HN 1.073 nan 8.290 nan 0.000 0.585 61 V N -3.606 116.328 119.914 0.033 0.000 2.490 61 V HA 0.091 4.210 4.120 -0.001 0.000 0.250 61 V C 1.419 177.537 176.094 0.039 0.000 1.061 61 V CA 2.395 64.694 62.300 -0.000 0.000 1.064 61 V CB -0.534 31.253 31.823 -0.060 0.000 0.670 61 V HN 1.388 nan 8.190 nan 0.000 0.461 62 W N 2.641 123.846 121.300 -0.159 0.000 2.318 62 W HA 0.451 5.111 4.660 -0.001 0.000 0.362 62 W C 1.075 177.548 176.519 -0.076 0.000 0.978 62 W CA -1.878 55.360 57.345 -0.179 0.000 1.509 62 W CB 0.335 29.660 29.460 -0.226 0.000 1.437 62 W HN 0.029 nan 8.180 nan 0.000 0.361 63 K N 2.752 123.239 120.400 0.146 0.000 2.152 63 K HA -0.192 4.127 4.320 -0.001 0.000 0.206 63 K C 0.857 177.375 176.600 -0.136 0.000 1.048 63 K CA 1.532 57.811 56.287 -0.014 0.000 0.933 63 K CB 0.097 32.583 32.500 -0.023 0.000 0.721 63 K HN 0.579 nan 8.250 nan 0.000 0.447 64 Q N -0.767 118.908 119.800 -0.208 0.000 2.188 64 Q HA 0.170 4.510 4.340 -0.001 0.000 0.212 64 Q C 0.827 176.465 176.000 -0.603 0.000 0.846 64 Q CA -0.289 55.370 55.803 -0.240 0.000 0.989 64 Q CB 1.293 30.035 28.738 0.006 0.000 1.114 64 Q HN 0.230 nan 8.270 nan 0.000 0.488 65 G N 0.619 108.621 108.800 -1.330 0.000 3.392 65 G HA2 0.524 4.483 3.960 -0.001 0.000 0.185 65 G HA3 0.524 4.483 3.960 -0.001 0.000 0.185 65 G C -1.412 173.153 174.900 -0.558 0.000 1.206 65 G CA -0.292 43.720 45.100 -1.815 0.000 0.776 65 G HN 0.352 nan 8.290 nan 0.000 0.697 66 W N -1.281 119.726 121.300 -0.489 0.000 2.988 66 W HA 0.627 5.287 4.660 -0.001 0.000 0.355 66 W C -1.470 175.138 176.519 0.149 0.000 1.233 66 W CA -1.187 56.105 57.345 -0.088 0.000 1.176 66 W CB 0.616 30.038 29.460 -0.064 0.000 1.477 66 W HN 0.190 nan 8.180 nan 0.000 0.582 67 N N 2.173 121.040 118.700 0.278 0.000 2.399 67 N HA 0.219 4.958 4.740 -0.001 0.000 0.259 67 N C -0.291 175.379 175.510 0.265 0.000 1.160 67 N CA 0.020 53.184 53.050 0.190 0.000 0.946 67 N CB 0.473 39.066 38.487 0.176 0.000 1.156 67 N HN 0.410 nan 8.380 nan 0.000 0.489 68 I N 2.104 122.732 120.570 0.096 0.000 2.556 68 I HA 0.008 4.177 4.170 -0.001 0.000 0.284 68 I C 0.784 177.077 176.117 0.293 0.000 1.114 68 I CA 0.378 61.809 61.300 0.218 0.000 1.418 68 I CB 0.452 38.517 38.000 0.108 0.000 1.394 68 I HN 0.132 nan 8.210 nan 0.000 0.552 69 K N 6.086 126.693 120.400 0.346 0.000 2.318 69 K HA 0.588 4.907 4.320 -0.001 0.000 0.249 69 K C -1.366 175.419 176.600 0.307 0.000 0.942 69 K CA -0.692 55.736 56.287 0.234 0.000 0.808 69 K CB 2.300 34.892 32.500 0.154 0.000 1.189 69 K HN 0.471 nan 8.250 nan 0.000 0.428 70 Y N -1.863 118.531 120.300 0.157 0.000 2.581 70 Y HA 0.434 4.983 4.550 -0.001 0.000 0.345 70 Y C -1.023 174.952 175.900 0.125 0.000 1.036 70 Y CA -1.567 56.626 58.100 0.156 0.000 1.042 70 Y CB 1.139 39.721 38.460 0.202 0.000 1.289 70 Y HN 0.385 nan 8.280 nan 0.000 0.471 71 D N 4.273 124.805 120.400 0.220 0.000 2.365 71 D HA 0.247 4.886 4.640 -0.001 0.000 0.237 71 D C -1.570 174.863 176.300 0.222 0.000 1.190 71 D CA -2.670 51.398 54.000 0.115 0.000 0.867 71 D CB 1.405 42.250 40.800 0.075 0.000 1.050 71 D HN 0.453 nan 8.370 nan 0.000 0.491 72 P HA -0.160 nan 4.420 nan 0.000 0.218 72 P C 1.368 178.820 177.300 0.253 0.000 1.146 72 P CA 0.815 64.098 63.100 0.304 0.000 0.813 72 P CB 0.338 32.140 31.700 0.169 0.000 0.778 73 L N -0.780 120.528 121.223 0.142 0.000 2.599 73 L HA 0.077 4.416 4.340 -0.001 0.000 0.230 73 L C 2.703 179.602 176.870 0.048 0.000 1.141 73 L CA 0.404 55.304 54.840 0.101 0.000 0.877 73 L CB -0.712 41.384 42.059 0.061 0.000 1.009 73 L HN -0.026 nan 8.230 nan 0.000 0.447 74 K N 0.620 121.007 120.400 -0.022 0.000 2.097 74 K HA -0.132 4.187 4.320 -0.001 0.000 0.206 74 K C -0.097 176.325 176.600 -0.298 0.000 1.049 74 K CA 1.153 57.295 56.287 -0.242 0.000 0.933 74 K CB 0.096 32.327 32.500 -0.449 0.000 0.717 74 K HN 0.137 nan 8.250 nan 0.000 0.442 75 Y N 0.636 121.066 120.300 0.217 0.000 2.387 75 Y HA 0.247 4.797 4.550 -0.000 0.000 0.336 75 Y C 0.029 176.022 175.900 0.155 0.000 1.067 75 Y CA -1.106 57.124 58.100 0.216 0.000 1.114 75 Y CB 1.498 40.043 38.460 0.143 0.000 1.208 75 Y HN 0.242 nan 8.280 nan 0.000 0.458 76 N N -0.434 118.439 118.700 0.288 0.000 3.344 76 N HA 0.514 5.253 4.740 -0.001 0.000 0.296 76 N C 0.054 175.609 175.510 0.075 0.000 1.571 76 N CA -0.442 52.705 53.050 0.162 0.000 0.844 76 N CB 0.340 38.912 38.487 0.141 0.000 1.718 76 N HN 0.483 nan 8.380 nan 0.000 0.589 77 A N -1.277 121.508 122.820 -0.057 0.000 1.978 77 A HA -0.176 4.144 4.320 -0.001 0.000 0.220 77 A C 0.977 178.394 177.584 -0.277 0.000 1.170 77 A CA 1.350 53.256 52.037 -0.218 0.000 0.636 77 A CB -1.068 17.709 19.000 -0.373 0.000 0.810 77 A HN 0.689 nan 8.150 nan 0.000 0.448 78 H N -2.623 116.504 119.070 0.096 0.000 2.551 78 H HA 0.131 4.687 4.556 -0.001 0.000 0.271 78 H C -0.121 175.310 175.328 0.171 0.000 0.984 78 H CA 0.507 56.616 56.048 0.101 0.000 1.164 78 H CB 0.169 29.981 29.762 0.083 0.000 1.437 78 H HN 0.654 nan 8.280 nan 0.000 0.550 79 H N 0.875 120.026 119.070 0.134 0.000 2.852 79 H HA 0.234 4.790 4.556 -0.001 0.000 0.274 79 H C -0.729 174.710 175.328 0.187 0.000 1.321 79 H CA -0.270 55.862 56.048 0.139 0.000 1.582 79 H CB 0.671 30.506 29.762 0.122 0.000 1.699 79 H HN 0.119 nan 8.280 nan 0.000 0.546 80 K N 2.308 122.670 120.400 -0.062 0.000 2.095 80 K HA 0.254 4.574 4.320 -0.001 0.000 0.252 80 K C -0.424 176.081 176.600 -0.158 0.000 0.977 80 K CA -1.128 55.127 56.287 -0.054 0.000 0.900 80 K CB 2.057 34.506 32.500 -0.085 0.000 1.060 80 K HN 0.143 nan 8.250 nan 0.000 0.449 81 L N 2.269 123.346 121.223 -0.243 0.000 2.265 81 L HA 0.190 4.529 4.340 -0.001 0.000 0.288 81 L C -0.847 175.831 176.870 -0.320 0.000 1.058 81 L CA 0.076 54.709 54.840 -0.344 0.000 0.809 81 L CB 0.410 42.053 42.059 -0.693 0.000 1.179 81 L HN 0.299 nan 8.230 nan 0.000 0.429 82 K N 5.054 125.273 120.400 -0.301 0.000 2.234 82 K HA 0.464 4.783 4.320 -0.001 0.000 0.277 82 K C -1.192 175.078 176.600 -0.549 0.000 1.038 82 K CA -0.461 55.573 56.287 -0.422 0.000 0.888 82 K CB 1.763 34.060 32.500 -0.338 0.000 1.091 82 K HN 0.427 nan 8.250 nan 0.000 0.467 83 V N 4.690 124.152 119.914 -0.754 0.000 2.417 83 V HA 0.414 4.533 4.120 -0.001 0.000 0.291 83 V C -0.665 174.843 176.094 -0.976 0.000 1.024 83 V CA -0.825 60.974 62.300 -0.835 0.000 0.861 83 V CB 0.859 32.017 31.823 -1.109 0.000 0.985 83 V HN 0.468 nan 8.190 nan 0.000 0.436 84 F N 3.592 123.288 119.950 -0.423 0.000 2.402 84 F HA 0.517 5.043 4.527 -0.001 0.000 0.355 84 F C 0.147 175.755 175.800 -0.319 0.000 1.123 84 F CA -0.723 57.080 58.000 -0.328 0.000 1.021 84 F CB 1.801 40.678 39.000 -0.204 0.000 1.160 84 F HN 0.176 nan 8.300 nan 0.000 0.451 85 V N 5.084 124.942 119.914 -0.094 0.000 2.364 85 V HA 0.315 4.435 4.120 -0.001 0.000 0.272 85 V C -0.239 175.946 176.094 0.151 0.000 1.036 85 V CA -0.661 61.651 62.300 0.020 0.000 0.880 85 V CB 1.277 33.179 31.823 0.132 0.000 0.991 85 V HN 0.434 nan 8.190 nan 0.000 0.460 86 V N 8.328 128.284 119.914 0.070 0.000 2.293 86 V HA 0.313 4.433 4.120 -0.001 0.000 0.275 86 V C -2.359 173.773 176.094 0.063 0.000 1.021 86 V CA -1.962 60.350 62.300 0.020 0.000 0.815 86 V CB 1.382 33.126 31.823 -0.132 0.000 1.025 86 V HN 0.719 nan 8.190 nan 0.000 0.448 87 P HA 0.323 nan 4.420 nan 0.000 0.271 87 P C -0.832 176.462 177.300 -0.011 0.000 1.216 87 P CA 0.274 63.341 63.100 -0.055 0.000 0.771 87 P CB 0.342 31.811 31.700 -0.386 0.000 0.864 88 H N -1.037 118.031 119.070 -0.003 0.000 2.990 88 H HA 0.795 5.351 4.556 -0.001 0.000 0.336 88 H C -1.470 173.957 175.328 0.164 0.000 1.306 88 H CA -1.135 54.809 56.048 -0.173 0.000 1.118 88 H CB 0.995 30.620 29.762 -0.228 0.000 1.856 88 H HN 0.194 nan 8.280 nan 0.000 0.538 89 S N 0.652 116.360 115.700 0.014 0.000 2.776 89 S HA 0.201 4.670 4.470 -0.001 0.000 0.284 89 S C -1.820 172.706 174.600 -0.124 0.000 1.160 89 S CA -0.663 57.588 58.200 0.086 0.000 1.051 89 S CB 0.144 63.576 63.200 0.386 0.000 1.037 89 S HN 0.825 nan 8.310 nan 0.000 0.485 90 H N 4.161 123.129 119.070 -0.171 0.000 2.864 90 H HA 0.470 5.025 4.556 -0.001 0.000 0.281 90 H C -0.602 174.316 175.328 -0.684 0.000 1.093 90 H CA 0.248 56.101 56.048 -0.325 0.000 1.453 90 H CB 0.136 29.739 29.762 -0.265 0.000 1.462 90 H HN 0.510 nan 8.280 nan 0.000 0.480 91 N N 4.708 122.764 118.700 -1.073 0.000 2.564 91 N HA 0.123 4.862 4.740 -0.001 0.000 0.248 91 N C -1.309 173.748 175.510 -0.754 0.000 0.986 91 N CA -0.647 51.608 53.050 -1.325 0.000 0.921 91 N CB 0.895 38.900 38.487 -0.803 0.000 1.136 91 N HN 0.552 nan 8.380 nan 0.000 0.509 92 D N 2.236 122.223 120.400 -0.688 0.000 2.383 92 D HA 0.094 4.733 4.640 -0.001 0.000 0.252 92 D C -2.067 174.282 176.300 0.081 0.000 1.166 92 D CA -0.955 52.914 54.000 -0.219 0.000 0.879 92 D CB 1.229 42.149 40.800 0.200 0.000 1.164 92 D HN 0.251 nan 8.370 nan 0.000 0.462 93 P HA 0.208 nan 4.420 nan 0.000 0.226 93 P C -0.087 177.403 177.300 0.316 0.000 1.783 93 P CA -0.016 63.094 63.100 0.017 0.000 0.980 93 P CB 0.254 31.844 31.700 -0.184 0.000 1.967 94 G N 0.410 109.579 108.800 0.614 0.000 3.067 94 G HA2 0.022 3.981 3.960 -0.001 0.000 0.686 94 G HA3 0.022 3.981 3.960 -0.001 0.000 0.686 94 G C -1.119 174.318 174.900 0.895 0.000 1.119 94 G CA -0.651 44.845 45.100 0.660 0.000 0.790 94 G HN 0.351 nan 8.290 nan 0.000 0.605 95 W N 2.398 124.035 121.300 0.562 0.000 4.489 95 W HA 0.282 4.942 4.660 -0.001 0.000 0.161 95 W C 0.888 177.582 176.519 0.292 0.000 3.472 95 W CA 0.920 58.568 57.345 0.505 0.000 1.144 95 W CB -0.793 29.052 29.460 0.642 0.000 2.110 95 W HN 0.521 nan 8.180 nan 0.000 0.358 96 I N 2.227 122.811 120.570 0.023 0.000 3.030 96 I HA 0.099 4.268 4.170 -0.001 0.000 0.270 96 I C 0.495 176.468 176.117 -0.241 0.000 1.211 96 I CA 1.221 62.342 61.300 -0.298 0.000 1.479 96 I CB -1.187 36.602 38.000 -0.352 0.000 1.105 96 I HN 0.023 nan 8.210 nan 0.000 0.447 97 Q N 0.131 119.628 119.800 -0.505 0.000 2.528 97 Q HA 0.373 4.712 4.340 -0.001 0.000 0.289 97 Q C 0.089 175.829 176.000 -0.433 0.000 1.091 97 Q CA -0.442 55.015 55.803 -0.577 0.000 0.797 97 Q CB 2.053 30.168 28.738 -1.039 0.000 1.466 97 Q HN 0.243 nan 8.270 nan 0.000 0.436 98 T N -2.427 111.993 114.554 -0.222 0.000 2.788 98 T HA 0.208 4.557 4.350 -0.001 0.000 0.287 98 T C 1.030 175.836 174.700 0.177 0.000 1.007 98 T CA -0.484 61.573 62.100 -0.071 0.000 1.005 98 T CB 0.297 69.155 68.868 -0.017 0.000 1.012 98 T HN 0.517 nan 8.240 nan 0.000 0.530 99 F N 1.127 121.162 119.950 0.142 0.000 2.091 99 F HA -0.120 4.407 4.527 -0.001 0.000 0.299 99 F C 2.456 178.474 175.800 0.363 0.000 1.103 99 F CA 2.301 60.466 58.000 0.275 0.000 1.228 99 F CB -0.321 38.723 39.000 0.074 0.000 0.984 99 F HN 0.763 nan 8.300 nan 0.000 0.477 100 E N 0.435 120.891 120.200 0.426 0.000 2.106 100 E HA -0.170 4.179 4.350 -0.001 0.000 0.192 100 E C 2.009 178.767 176.600 0.264 0.000 0.984 100 E CA 1.681 58.290 56.400 0.348 0.000 0.806 100 E CB -0.280 29.607 29.700 0.312 0.000 0.750 100 E HN 0.610 nan 8.360 nan 0.000 0.458 101 E N -1.008 119.297 120.200 0.175 0.000 2.051 101 E HA -0.191 4.158 4.350 -0.001 0.000 0.192 101 E C 1.862 178.535 176.600 0.122 0.000 0.991 101 E CA 1.206 57.661 56.400 0.093 0.000 0.799 101 E CB -0.261 29.423 29.700 -0.026 0.000 0.748 101 E HN 0.343 nan 8.360 nan 0.000 0.449 102 Y N -0.501 119.854 120.300 0.092 0.000 2.181 102 Y HA -0.260 4.289 4.550 -0.001 0.000 0.288 102 Y C 2.214 178.132 175.900 0.029 0.000 1.146 102 Y CA 1.312 59.414 58.100 0.003 0.000 1.164 102 Y CB -0.736 37.767 38.460 0.073 0.000 0.982 102 Y HN 0.196 nan 8.280 nan 0.000 0.515 103 Y N 0.885 121.277 120.300 0.154 0.000 2.128 103 Y HA -0.289 4.260 4.550 -0.001 0.000 0.284 103 Y C 2.291 178.220 175.900 0.049 0.000 1.154 103 Y CA 1.884 60.011 58.100 0.044 0.000 1.149 103 Y CB -0.355 38.121 38.460 0.028 0.000 0.976 103 Y HN 0.062 nan 8.280 nan 0.000 0.505 104 Q N -1.015 118.811 119.800 0.043 0.000 2.119 104 Q HA -0.204 4.135 4.340 -0.001 0.000 0.201 104 Q C 2.284 178.286 176.000 0.004 0.000 0.972 104 Q CA 1.753 57.527 55.803 -0.048 0.000 0.847 104 Q CB -0.670 28.138 28.738 0.116 0.000 0.903 104 Q HN 0.660 nan 8.270 nan 0.000 0.433 105 H N -0.210 118.875 119.070 0.025 0.000 2.448 105 H HA 0.003 4.558 4.556 -0.001 0.000 0.292 105 H C 0.468 175.887 175.328 0.151 0.000 1.035 105 H CA 1.021 57.121 56.048 0.087 0.000 1.349 105 H CB 0.898 30.680 29.762 0.033 0.000 1.425 105 H HN 0.227 nan 8.280 nan 0.000 0.539 106 D N -1.529 118.987 120.400 0.192 0.000 2.954 106 D HA 0.008 4.648 4.640 -0.001 0.000 0.266 106 D C 1.703 178.063 176.300 0.100 0.000 1.277 106 D CA 0.339 54.444 54.000 0.175 0.000 1.130 106 D CB 0.172 41.022 40.800 0.083 0.000 1.440 106 D HN 0.136 nan 8.370 nan 0.000 0.427 107 T N 2.522 117.068 114.554 -0.013 0.000 2.788 107 T HA -0.149 4.201 4.350 -0.001 0.000 0.268 107 T C 1.940 176.488 174.700 -0.254 0.000 1.044 107 T CA 1.428 63.480 62.100 -0.080 0.000 1.139 107 T CB -0.083 68.591 68.868 -0.323 0.000 0.867 107 T HN 0.252 nan 8.240 nan 0.000 0.454 108 K N 0.725 120.790 120.400 -0.558 0.000 2.148 108 K HA -0.142 4.178 4.320 -0.001 0.000 0.204 108 K C 1.922 178.274 176.600 -0.413 0.000 1.050 108 K CA 1.366 57.298 56.287 -0.592 0.000 0.942 108 K CB -0.342 31.568 32.500 -0.984 0.000 0.724 108 K HN 0.395 nan 8.250 nan 0.000 0.446 109 H N 1.010 119.998 119.070 -0.136 0.000 2.372 109 H HA 0.064 4.619 4.556 -0.001 0.000 0.301 109 H C 2.293 177.622 175.328 0.002 0.000 1.065 109 H CA 1.356 57.378 56.048 -0.043 0.000 1.364 109 H CB -0.146 29.601 29.762 -0.025 0.000 1.406 109 H HN 0.179 nan 8.280 nan 0.000 0.521 110 I N 0.803 121.459 120.570 0.144 0.000 2.163 110 I HA -0.281 3.888 4.170 -0.001 0.000 0.243 110 I C 2.440 178.587 176.117 0.051 0.000 1.085 110 I CA 1.161 62.598 61.300 0.229 0.000 1.347 110 I CB -0.271 37.930 38.000 0.335 0.000 1.044 110 I HN 0.097 nan 8.210 nan 0.000 0.408 111 L N -0.395 120.634 121.223 -0.324 0.000 2.093 111 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 111 L C 2.658 179.180 176.870 -0.580 0.000 1.085 111 L CA 1.073 55.483 54.840 -0.718 0.000 0.755 111 L CB -0.473 40.590 42.059 -1.660 0.000 0.904 111 L HN 0.168 nan 8.230 nan 0.000 0.435 112 S N -0.015 115.457 115.700 -0.380 0.000 2.368 112 S HA -0.114 4.355 4.470 -0.001 0.000 0.224 112 S C 1.698 176.270 174.600 -0.046 0.000 1.029 112 S CA 1.163 59.380 58.200 0.030 0.000 0.988 112 S CB -0.259 63.028 63.200 0.145 0.000 0.838 112 S HN 0.449 nan 8.310 nan 0.000 0.462 113 N N 1.843 120.522 118.700 -0.036 0.000 2.270 113 N HA 0.102 4.841 4.740 -0.001 0.000 0.181 113 N C 1.737 176.960 175.510 -0.478 0.000 1.016 113 N CA 1.010 54.001 53.050 -0.097 0.000 0.870 113 N CB -0.542 38.016 38.487 0.119 0.000 0.979 113 N HN 0.398 nan 8.380 nan 0.000 0.431 114 A N 1.151 123.721 122.820 -0.416 0.000 1.902 114 A HA -0.092 4.227 4.320 -0.001 0.000 0.217 114 A C 2.192 179.484 177.584 -0.487 0.000 1.181 114 A CA 0.928 52.530 52.037 -0.725 0.000 0.623 114 A CB -0.682 18.178 19.000 -0.235 0.000 0.818 114 A HN 0.223 nan 8.150 nan 0.000 0.443 115 L N 0.181 121.263 121.223 -0.234 0.000 2.017 115 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 115 L C 2.478 179.253 176.870 -0.159 0.000 1.073 115 L CA 2.589 57.363 54.840 -0.110 0.000 0.745 115 L CB -0.667 41.397 42.059 0.008 0.000 0.894 115 L HN 0.517 nan 8.230 nan 0.000 0.432 116 R N -1.759 118.602 120.500 -0.232 0.000 2.066 116 R HA -0.176 4.163 4.340 -0.001 0.000 0.232 116 R C 2.349 178.418 176.300 -0.385 0.000 1.131 116 R CA 1.624 57.560 56.100 -0.275 0.000 0.955 116 R CB -0.542 29.568 30.300 -0.317 0.000 0.851 116 R HN 0.547 nan 8.270 nan 0.000 0.432 117 H N 0.504 119.272 119.070 -0.503 0.000 2.389 117 H HA -0.063 4.492 4.556 -0.001 0.000 0.299 117 H C 2.247 177.343 175.328 -0.386 0.000 1.081 117 H CA 1.620 57.355 56.048 -0.522 0.000 1.345 117 H CB 0.049 29.249 29.762 -0.936 0.000 1.393 117 H HN 0.250 nan 8.280 nan 0.000 0.520 118 L N -0.179 120.853 121.223 -0.320 0.000 2.056 118 L HA -0.167 4.173 4.340 -0.001 0.000 0.207 118 L C 2.754 179.579 176.870 -0.074 0.000 1.078 118 L CA 1.018 55.760 54.840 -0.164 0.000 0.749 118 L CB -0.632 41.345 42.059 -0.136 0.000 0.901 118 L HN 0.381 nan 8.230 nan 0.000 0.433 119 H N 0.637 119.622 119.070 -0.141 0.000 2.319 119 H HA -0.204 4.352 4.556 -0.001 0.000 0.299 119 H C 1.241 176.519 175.328 -0.084 0.000 1.092 119 H CA 2.058 58.051 56.048 -0.092 0.000 1.302 119 H CB 0.214 29.919 29.762 -0.094 0.000 1.373 119 H HN 0.323 nan 8.280 nan 0.000 0.497 120 D N 0.230 120.557 120.400 -0.123 0.000 2.347 120 D HA -0.029 4.610 4.640 -0.001 0.000 0.215 120 D C -0.089 176.149 176.300 -0.102 0.000 0.976 120 D CA 0.560 54.474 54.000 -0.144 0.000 0.884 120 D CB -0.193 40.548 40.800 -0.098 0.000 0.915 120 D HN 0.404 nan 8.370 nan 0.000 0.526 121 N N -0.009 118.647 118.700 -0.074 0.000 2.762 121 N HA 0.173 4.912 4.740 -0.001 0.000 0.252 121 N C -2.191 173.314 175.510 -0.007 0.000 1.269 121 N CA -1.075 51.969 53.050 -0.008 0.000 0.799 121 N CB 2.196 40.708 38.487 0.042 0.000 1.173 121 N HN -0.215 nan 8.380 nan 0.000 0.516 122 P HA -0.198 nan 4.420 nan 0.000 0.218 122 P C 0.691 178.017 177.300 0.043 0.000 1.146 122 P CA 1.253 64.349 63.100 -0.007 0.000 0.820 122 P CB 0.381 32.070 31.700 -0.019 0.000 0.778 123 E N -1.850 118.407 120.200 0.095 0.000 2.447 123 E HA 0.070 4.420 4.350 -0.001 0.000 0.195 123 E C 0.839 177.578 176.600 0.232 0.000 1.028 123 E CA 0.021 56.521 56.400 0.168 0.000 0.876 123 E CB -0.406 29.427 29.700 0.221 0.000 0.885 123 E HN 0.260 nan 8.360 nan 0.000 0.500 124 M N 1.616 121.285 119.600 0.115 0.000 2.243 124 M HA 0.101 4.580 4.480 -0.001 0.000 0.341 124 M C -0.332 175.945 176.300 -0.037 0.000 1.130 124 M CA 0.213 55.464 55.300 -0.081 0.000 1.162 124 M CB 0.456 32.983 32.600 -0.122 0.000 1.497 124 M HN -0.360 nan 8.290 nan 0.000 0.456 125 K N 3.163 123.508 120.400 -0.091 0.000 2.444 125 K HA 0.652 4.971 4.320 -0.001 0.000 0.252 125 K C -1.729 174.908 176.600 0.063 0.000 0.993 125 K CA -0.466 55.828 56.287 0.013 0.000 0.847 125 K CB 2.110 34.644 32.500 0.057 0.000 1.340 125 K HN 0.677 nan 8.250 nan 0.000 0.446 126 F N 1.418 121.284 119.950 -0.140 0.000 2.672 126 F HA 0.456 4.983 4.527 -0.001 0.000 0.311 126 F C -1.446 174.248 175.800 -0.176 0.000 1.113 126 F CA -1.229 56.675 58.000 -0.159 0.000 0.996 126 F CB 1.030 40.020 39.000 -0.017 0.000 1.286 126 F HN 0.454 nan 8.300 nan 0.000 0.441 127 I N 1.917 122.144 120.570 -0.572 0.000 2.562 127 I HA 0.598 4.767 4.170 -0.001 0.000 0.301 127 I C -1.715 173.971 176.117 -0.719 0.000 1.003 127 I CA -0.625 60.309 61.300 -0.611 0.000 1.127 127 I CB 2.479 40.056 38.000 -0.705 0.000 1.304 127 I HN 0.699 nan 8.210 nan 0.000 0.446 128 W N 4.498 125.408 121.300 -0.650 0.000 2.957 128 W HA 0.633 5.292 4.660 -0.001 0.000 0.336 128 W C -0.720 175.724 176.519 -0.124 0.000 1.087 128 W CA -0.542 56.555 57.345 -0.414 0.000 1.235 128 W CB 2.672 31.947 29.460 -0.309 0.000 1.399 128 W HN 0.790 nan 8.180 nan 0.000 0.480 129 A N 3.486 125.928 122.820 -0.629 0.000 1.984 129 A HA 0.145 4.465 4.320 -0.001 0.000 0.203 129 A C 0.034 177.569 177.584 -0.082 0.000 1.292 129 A CA 0.515 52.426 52.037 -0.211 0.000 0.782 129 A CB -0.037 18.901 19.000 -0.105 0.000 0.924 129 A HN 0.512 nan 8.150 nan 0.000 0.475 130 E N 1.069 121.113 120.200 -0.260 0.000 2.001 130 E HA 0.290 4.639 4.350 -0.001 0.000 0.279 130 E C 0.451 177.224 176.600 0.289 0.000 1.045 130 E CA -0.273 56.152 56.400 0.041 0.000 0.833 130 E CB 0.696 30.420 29.700 0.039 0.000 1.077 130 E HN 0.284 nan 8.360 nan 0.000 0.397 131 I N 1.553 122.194 120.570 0.120 0.000 2.676 131 I HA -0.198 3.971 4.170 -0.001 0.000 0.259 131 I C 1.949 177.731 176.117 -0.559 0.000 1.194 131 I CA 0.918 62.214 61.300 -0.007 0.000 1.473 131 I CB -1.398 36.652 38.000 0.083 0.000 1.096 131 I HN 0.414 nan 8.210 nan 0.000 0.443 132 S N 0.993 116.063 115.700 -1.050 0.000 2.374 132 S HA -0.256 4.213 4.470 -0.001 0.000 0.227 132 S C 2.135 176.436 174.600 -0.499 0.000 1.037 132 S CA 1.250 58.421 58.200 -1.714 0.000 1.024 132 S CB -0.978 61.296 63.200 -1.543 0.000 0.861 132 S HN 0.359 nan 8.310 nan 0.000 0.456 133 Y N 0.526 120.853 120.300 0.046 0.000 2.263 133 Y HA 0.165 4.715 4.550 -0.001 0.000 0.292 133 Y C 2.180 178.152 175.900 0.120 0.000 1.130 133 Y CA 0.234 58.460 58.100 0.210 0.000 1.179 133 Y CB -0.864 37.821 38.460 0.374 0.000 0.998 133 Y HN 0.336 nan 8.280 nan 0.000 0.532 134 F N -0.065 119.971 119.950 0.143 0.000 2.186 134 F HA -0.140 4.387 4.527 -0.001 0.000 0.299 134 F C 2.314 177.947 175.800 -0.278 0.000 1.090 134 F CA 1.225 59.182 58.000 -0.072 0.000 1.307 134 F CB -0.397 38.554 39.000 -0.082 0.000 1.019 134 F HN -0.024 nan 8.300 nan 0.000 0.489 135 A N 0.088 122.558 122.820 -0.583 0.000 1.930 135 A HA -0.173 4.146 4.320 -0.001 0.000 0.217 135 A C 2.134 179.611 177.584 -0.178 0.000 1.175 135 A CA 1.575 53.100 52.037 -0.853 0.000 0.627 135 A CB -0.687 17.649 19.000 -1.107 0.000 0.815 135 A HN 0.373 nan 8.150 nan 0.000 0.443 136 R N -1.009 119.419 120.500 -0.121 0.000 2.096 136 R HA -0.127 4.213 4.340 -0.001 0.000 0.235 136 R C 1.696 177.937 176.300 -0.098 0.000 1.127 136 R CA 1.976 58.014 56.100 -0.103 0.000 0.968 136 R CB -0.807 29.380 30.300 -0.188 0.000 0.861 136 R HN 0.481 nan 8.270 nan 0.000 0.440 137 F N -0.382 119.486 119.950 -0.138 0.000 2.098 137 F HA -0.075 4.452 4.527 -0.001 0.000 0.294 137 F C 1.921 177.642 175.800 -0.132 0.000 1.107 137 F CA 1.438 59.426 58.000 -0.021 0.000 1.234 137 F CB -0.827 38.094 39.000 -0.132 0.000 1.002 137 F HN 0.107 nan 8.300 nan 0.000 0.472 138 Y N 0.373 120.436 120.300 -0.395 0.000 2.207 138 Y HA -0.276 4.273 4.550 -0.001 0.000 0.287 138 Y C 2.605 178.281 175.900 -0.375 0.000 1.156 138 Y CA 2.283 60.131 58.100 -0.421 0.000 1.182 138 Y CB -0.754 37.583 38.460 -0.205 0.000 0.979 138 Y HN 0.149 nan 8.280 nan 0.000 0.521 139 H N -0.871 118.203 119.070 0.007 0.000 2.546 139 H HA -0.049 4.506 4.556 -0.001 0.000 0.277 139 H C 0.856 176.082 175.328 -0.169 0.000 1.004 139 H CA 1.333 57.346 56.048 -0.058 0.000 1.231 139 H CB -0.011 29.784 29.762 0.055 0.000 1.382 139 H HN 0.459 nan 8.280 nan 0.000 0.580 140 D N -0.090 120.213 120.400 -0.160 0.000 2.349 140 D HA 0.103 4.742 4.640 -0.001 0.000 0.214 140 D C 0.562 176.678 176.300 -0.306 0.000 1.063 140 D CA 0.039 53.931 54.000 -0.179 0.000 0.847 140 D CB 0.507 41.237 40.800 -0.116 0.000 0.933 140 D HN 0.183 nan 8.370 nan 0.000 0.513 141 L N 0.424 121.367 121.223 -0.466 0.000 2.395 141 L HA 0.398 4.737 4.340 -0.001 0.000 0.269 141 L C 1.334 178.013 176.870 -0.318 0.000 1.133 141 L CA -0.688 53.876 54.840 -0.461 0.000 0.812 141 L CB 1.050 42.759 42.059 -0.584 0.000 1.125 141 L HN -0.041 nan 8.230 nan 0.000 0.452 142 G N 0.373 109.035 108.800 -0.230 0.000 2.572 142 G HA2 0.088 4.047 3.960 -0.001 0.000 0.261 142 G HA3 0.088 4.047 3.960 -0.001 0.000 0.261 142 G C 0.599 175.402 174.900 -0.161 0.000 1.197 142 G CA -0.274 44.730 45.100 -0.159 0.000 0.870 142 G HN 0.761 nan 8.290 nan 0.000 0.548 143 E N 0.111 120.245 120.200 -0.109 0.000 2.118 143 E HA -0.211 4.138 4.350 -0.001 0.000 0.195 143 E C 2.169 178.730 176.600 -0.065 0.000 0.992 143 E CA 1.663 58.016 56.400 -0.079 0.000 0.804 143 E CB -0.177 29.500 29.700 -0.038 0.000 0.741 143 E HN 0.609 nan 8.360 nan 0.000 0.458 144 N N 0.034 118.695 118.700 -0.065 0.000 2.069 144 N HA -0.203 4.537 4.740 -0.001 0.000 0.191 144 N C 1.458 176.927 175.510 -0.068 0.000 1.031 144 N CA 1.403 54.419 53.050 -0.058 0.000 0.852 144 N CB 0.005 38.456 38.487 -0.061 0.000 1.018 144 N HN 0.049 nan 8.380 nan 0.000 0.423 145 K N 1.095 121.438 120.400 -0.094 0.000 2.155 145 K HA -0.021 4.298 4.320 -0.001 0.000 0.203 145 K C 2.027 178.593 176.600 -0.056 0.000 1.052 145 K CA 0.598 56.831 56.287 -0.090 0.000 0.948 145 K CB -0.138 32.289 32.500 -0.121 0.000 0.728 145 K HN 0.321 nan 8.250 nan 0.000 0.448 146 K N 0.863 121.198 120.400 -0.108 0.000 2.063 146 K HA -0.064 4.255 4.320 -0.001 0.000 0.208 146 K C 2.252 178.916 176.600 0.108 0.000 1.048 146 K CA 0.994 57.248 56.287 -0.055 0.000 0.928 146 K CB -0.156 32.227 32.500 -0.196 0.000 0.713 146 K HN 0.049 nan 8.250 nan 0.000 0.442 147 L N 0.951 122.207 121.223 0.055 0.000 2.056 147 L HA -0.215 4.125 4.340 -0.001 0.000 0.207 147 L C 2.557 179.475 176.870 0.080 0.000 1.078 147 L CA 1.299 56.184 54.840 0.075 0.000 0.749 147 L CB -0.373 41.709 42.059 0.039 0.000 0.901 147 L HN 0.266 nan 8.230 nan 0.000 0.433 148 Q N -0.892 118.933 119.800 0.040 0.000 2.124 148 Q HA -0.264 4.076 4.340 -0.001 0.000 0.202 148 Q C 2.194 178.259 176.000 0.108 0.000 0.977 148 Q CA 1.671 57.495 55.803 0.035 0.000 0.850 148 Q CB -0.163 28.529 28.738 -0.077 0.000 0.901 148 Q HN 0.355 nan 8.270 nan 0.000 0.429 149 M N 1.157 120.849 119.600 0.153 0.000 2.086 149 M HA -0.157 4.322 4.480 -0.001 0.000 0.261 149 M C 1.607 178.074 176.300 0.278 0.000 1.067 149 M CA 1.771 57.227 55.300 0.261 0.000 1.116 149 M CB 0.020 32.856 32.600 0.393 0.000 1.348 149 M HN -0.102 nan 8.290 nan 0.000 0.407 150 K N -1.036 119.524 120.400 0.267 0.000 2.152 150 K HA -0.138 4.182 4.320 -0.001 0.000 0.206 150 K C 2.274 178.970 176.600 0.159 0.000 1.048 150 K CA 1.526 57.950 56.287 0.228 0.000 0.933 150 K CB -0.407 32.211 32.500 0.198 0.000 0.721 150 K HN 0.401 nan 8.250 nan 0.000 0.447 151 S N 1.472 117.254 115.700 0.137 0.000 2.368 151 S HA -0.086 4.383 4.470 -0.001 0.000 0.224 151 S C 1.927 176.585 174.600 0.098 0.000 1.029 151 S CA 1.057 59.321 58.200 0.107 0.000 0.988 151 S CB -0.210 63.054 63.200 0.106 0.000 0.838 151 S HN 0.389 nan 8.310 nan 0.000 0.462 152 I N -0.832 119.805 120.570 0.111 0.000 2.830 152 I HA 0.053 4.222 4.170 -0.001 0.000 0.263 152 I C 1.803 177.955 176.117 0.058 0.000 1.230 152 I CA 0.643 61.991 61.300 0.079 0.000 1.480 152 I CB -0.329 37.717 38.000 0.075 0.000 1.095 152 I HN 0.092 nan 8.210 nan 0.000 0.455 153 V N 1.423 121.392 119.914 0.091 0.000 2.379 153 V HA -0.159 3.960 4.120 -0.001 0.000 0.243 153 V C 2.681 178.813 176.094 0.064 0.000 1.035 153 V CA 1.813 64.157 62.300 0.073 0.000 1.035 153 V CB -0.657 31.275 31.823 0.181 0.000 0.673 153 V HN 0.409 nan 8.190 nan 0.000 0.457 154 K N 1.524 121.970 120.400 0.076 0.000 2.097 154 K HA -0.226 4.093 4.320 -0.001 0.000 0.206 154 K C 1.786 178.406 176.600 0.033 0.000 1.049 154 K CA 1.868 58.187 56.287 0.053 0.000 0.933 154 K CB -0.215 32.318 32.500 0.055 0.000 0.717 154 K HN 0.660 nan 8.250 nan 0.000 0.442 155 N N -0.489 118.231 118.700 0.033 0.000 2.461 155 N HA -0.016 4.724 4.740 -0.001 0.000 0.188 155 N C 0.859 176.375 175.510 0.009 0.000 1.134 155 N CA 1.147 54.209 53.050 0.020 0.000 0.878 155 N CB 0.321 38.821 38.487 0.022 0.000 0.972 155 N HN 0.336 nan 8.380 nan 0.000 0.456 156 G N -0.342 108.460 108.800 0.003 0.000 2.157 156 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.248 156 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.248 156 G C 0.783 175.670 174.900 -0.022 0.000 0.979 156 G CA 0.482 45.573 45.100 -0.016 0.000 0.650 156 G HN 0.464 nan 8.290 nan 0.000 0.529 157 Q N -1.292 118.502 119.800 -0.009 0.000 2.096 157 Q HA 0.233 4.572 4.340 -0.001 0.000 0.197 157 Q C 1.215 177.206 176.000 -0.016 0.000 0.964 157 Q CA 1.049 56.850 55.803 -0.002 0.000 0.838 157 Q CB 0.209 28.951 28.738 0.007 0.000 0.906 157 Q HN 0.615 nan 8.270 nan 0.000 0.444 158 L N 1.107 122.302 121.223 -0.048 0.000 2.287 158 L HA 0.313 4.652 4.340 -0.001 0.000 0.287 158 L C -0.964 175.730 176.870 -0.293 0.000 1.022 158 L CA -0.092 54.674 54.840 -0.124 0.000 0.814 158 L CB 1.506 43.505 42.059 -0.101 0.000 1.217 158 L HN -0.084 nan 8.230 nan 0.000 0.420 159 E N 4.264 124.249 120.200 -0.357 0.000 2.234 159 E HA 0.365 4.715 4.350 -0.001 0.000 0.266 159 E C -1.522 174.803 176.600 -0.458 0.000 0.877 159 E CA -0.747 55.441 56.400 -0.352 0.000 0.758 159 E CB 1.028 30.608 29.700 -0.199 0.000 1.170 159 E HN 0.516 nan 8.360 nan 0.000 0.415 160 F N 3.118 123.023 119.950 -0.075 0.000 2.412 160 F HA 0.227 4.753 4.527 -0.001 0.000 0.348 160 F C 0.280 176.049 175.800 -0.052 0.000 1.102 160 F CA -0.519 57.449 58.000 -0.054 0.000 1.196 160 F CB 1.292 40.274 39.000 -0.031 0.000 1.144 160 F HN 0.193 nan 8.300 nan 0.000 0.541 161 V N 0.108 120.081 119.914 0.098 0.000 2.495 161 V HA 0.651 4.770 4.120 -0.001 0.000 0.298 161 V C 0.256 176.477 176.094 0.210 0.000 1.031 161 V CA -0.519 61.835 62.300 0.089 0.000 0.871 161 V CB 0.883 32.642 31.823 -0.108 0.000 0.988 161 V HN 0.978 nan 8.190 nan 0.000 0.432 162 T N 3.336 118.089 114.554 0.333 0.000 12.940 162 T HA -0.298 4.051 4.350 -0.001 0.000 0.419 162 T C 1.700 176.635 174.700 0.393 0.000 1.444 162 T CA 2.893 65.241 62.100 0.413 0.000 2.373 162 T CB -1.668 67.344 68.868 0.240 0.000 2.821 162 T HN 2.783 nan 8.240 nan 0.000 0.696 163 G N 1.751 110.718 108.800 0.278 0.000 2.136 163 G HA2 0.110 4.069 3.960 -0.001 0.000 0.242 163 G HA3 0.110 4.069 3.960 -0.001 0.000 0.242 163 G C 0.286 175.333 174.900 0.246 0.000 0.989 163 G CA 0.582 45.825 45.100 0.238 0.000 0.682 163 G HN 1.537 nan 8.290 nan 0.000 0.522 164 G N -1.667 107.276 108.800 0.238 0.000 2.537 164 G HA2 0.385 4.345 3.960 -0.001 0.000 0.273 164 G HA3 0.385 4.345 3.960 -0.001 0.000 0.273 164 G C 0.973 176.059 174.900 0.309 0.000 1.189 164 G CA 0.145 45.398 45.100 0.254 0.000 0.881 164 G HN 0.328 nan 8.290 nan 0.000 0.535 165 W N 0.357 121.707 121.300 0.083 0.000 2.325 165 W HA -0.060 4.600 4.660 -0.001 0.000 0.299 165 W C 0.736 177.293 176.519 0.063 0.000 1.215 165 W CA 1.946 59.326 57.345 0.058 0.000 1.244 165 W CB 0.242 29.718 29.460 0.028 0.000 1.140 165 W HN 0.405 nan 8.180 nan 0.000 0.523 166 V N -2.691 117.355 119.914 0.221 0.000 3.105 166 V HA 0.505 4.624 4.120 -0.001 0.000 0.311 166 V C -0.446 175.743 176.094 0.158 0.000 1.287 166 V CA -1.281 61.094 62.300 0.125 0.000 1.066 166 V CB 1.723 33.638 31.823 0.153 0.000 1.105 166 V HN -0.044 nan 8.190 nan 0.000 0.462 167 M N 4.053 123.774 119.600 0.201 0.000 2.103 167 M HA 0.514 4.993 4.480 -0.001 0.000 0.350 167 M C -2.692 173.765 176.300 0.262 0.000 1.100 167 M CA -1.916 53.510 55.300 0.211 0.000 1.042 167 M CB 1.464 34.208 32.600 0.241 0.000 1.368 167 M HN 0.660 nan 8.290 nan 0.000 0.404 168 P HA 0.095 nan 4.420 nan 0.000 0.274 168 P C -0.949 176.361 177.300 0.016 0.000 1.231 168 P CA -0.112 63.039 63.100 0.085 0.000 0.790 168 P CB 0.590 32.328 31.700 0.063 0.000 0.951 169 D N 0.829 121.203 120.400 -0.043 0.000 2.449 169 D HA -0.061 4.579 4.640 -0.001 0.000 0.236 169 D C 0.710 177.023 176.300 0.022 0.000 1.149 169 D CA 0.564 54.520 54.000 -0.074 0.000 0.878 169 D CB 0.442 41.209 40.800 -0.055 0.000 1.198 169 D HN 0.313 nan 8.370 nan 0.000 0.446 170 E N 1.441 121.700 120.200 0.097 0.000 2.511 170 E HA 0.181 4.530 4.350 -0.001 0.000 0.209 170 E C 0.942 177.726 176.600 0.307 0.000 0.986 170 E CA 0.046 56.572 56.400 0.210 0.000 0.974 170 E CB 0.651 30.489 29.700 0.230 0.000 1.030 170 E HN 0.488 nan 8.360 nan 0.000 0.490 171 A N 1.530 124.479 122.820 0.216 0.000 1.887 171 A HA 0.008 4.327 4.320 -0.001 0.000 0.210 171 A C 1.825 179.292 177.584 -0.195 0.000 1.221 171 A CA 0.648 52.569 52.037 -0.194 0.000 0.635 171 A CB 0.017 18.877 19.000 -0.233 0.000 0.881 171 A HN 0.038 nan 8.150 nan 0.000 0.456 172 N N -0.086 118.593 118.700 -0.035 0.000 2.356 172 N HA 0.038 4.778 4.740 -0.001 0.000 0.178 172 N C 0.580 176.080 175.510 -0.015 0.000 1.075 172 N CA 0.362 53.387 53.050 -0.041 0.000 0.889 172 N CB 0.136 38.645 38.487 0.037 0.000 0.999 172 N HN 0.324 nan 8.380 nan 0.000 0.464 173 S N 0.682 116.384 115.700 0.003 0.000 2.562 173 S HA -0.043 4.427 4.470 -0.001 0.000 0.281 173 S C -0.175 174.439 174.600 0.023 0.000 1.333 173 S CA -0.375 57.837 58.200 0.020 0.000 1.052 173 S CB 0.360 63.575 63.200 0.026 0.000 0.884 173 S HN 0.233 nan 8.310 nan 0.000 0.506 174 H N 5.297 124.347 119.070 -0.034 0.000 2.525 174 H HA 0.095 4.651 4.556 -0.001 0.000 0.339 174 H C 1.333 176.636 175.328 -0.041 0.000 1.109 174 H CA -0.246 55.767 56.048 -0.058 0.000 1.352 174 H CB 0.501 30.177 29.762 -0.143 0.000 1.461 174 H HN 0.977 nan 8.280 nan 0.000 0.533 175 W N 5.813 127.011 121.300 -0.170 0.000 2.331 175 W HA -0.181 4.478 4.660 -0.001 0.000 0.291 175 W C 1.045 177.633 176.519 0.115 0.000 1.214 175 W CA 0.444 57.772 57.345 -0.027 0.000 1.228 175 W CB -0.482 28.904 29.460 -0.124 0.000 1.135 175 W HN 0.534 nan 8.180 nan 0.000 0.537 176 R N 0.795 120.922 120.500 -0.621 0.000 2.096 176 R HA -0.140 4.200 4.340 -0.001 0.000 0.235 176 R C 1.983 178.123 176.300 -0.267 0.000 1.127 176 R CA 1.914 57.557 56.100 -0.761 0.000 0.968 176 R CB -0.440 29.342 30.300 -0.863 0.000 0.861 176 R HN 0.154 nan 8.270 nan 0.000 0.440 177 N N -0.233 118.393 118.700 -0.122 0.000 2.376 177 N HA -0.045 4.694 4.740 -0.001 0.000 0.177 177 N C 1.682 177.197 175.510 0.009 0.000 1.024 177 N CA 0.627 53.646 53.050 -0.052 0.000 0.893 177 N CB 0.068 38.543 38.487 -0.020 0.000 0.980 177 N HN -0.000 nan 8.380 nan 0.000 0.439 178 V N 1.334 121.278 119.914 0.049 0.000 2.343 178 V HA -0.160 3.959 4.120 -0.001 0.000 0.247 178 V C 2.297 178.437 176.094 0.076 0.000 1.051 178 V CA 1.038 63.384 62.300 0.077 0.000 1.036 178 V CB -0.434 31.454 31.823 0.110 0.000 0.654 178 V HN 0.191 nan 8.190 nan 0.000 0.451 179 L N -0.343 120.936 121.223 0.092 0.000 2.093 179 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 179 L C 2.145 179.027 176.870 0.019 0.000 1.085 179 L CA 1.752 56.639 54.840 0.077 0.000 0.755 179 L CB -0.643 41.494 42.059 0.129 0.000 0.904 179 L HN 0.281 nan 8.230 nan 0.000 0.435 180 L N -0.052 121.162 121.223 -0.016 0.000 2.017 180 L HA -0.240 4.099 4.340 -0.001 0.000 0.208 180 L C 2.574 179.434 176.870 -0.017 0.000 1.073 180 L CA 2.330 57.148 54.840 -0.037 0.000 0.745 180 L CB -0.807 41.212 42.059 -0.068 0.000 0.894 180 L HN 0.668 nan 8.230 nan 0.000 0.432 181 Q N -0.923 118.889 119.800 0.021 0.000 2.172 181 Q HA -0.190 4.149 4.340 -0.001 0.000 0.200 181 Q C 2.017 178.100 176.000 0.138 0.000 0.964 181 Q CA 2.049 57.899 55.803 0.078 0.000 0.855 181 Q CB -1.179 27.642 28.738 0.138 0.000 0.918 181 Q HN 0.474 nan 8.270 nan 0.000 0.444 182 L N 0.787 122.077 121.223 0.112 0.000 2.046 182 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 182 L C 1.912 178.862 176.870 0.134 0.000 1.077 182 L CA 2.444 57.364 54.840 0.134 0.000 0.747 182 L CB -1.000 41.115 42.059 0.093 0.000 0.896 182 L HN 0.325 nan 8.230 nan 0.000 0.432 183 T N -0.988 113.612 114.554 0.077 0.000 2.821 183 T HA -0.170 4.180 4.350 -0.001 0.000 0.267 183 T C 1.723 176.472 174.700 0.081 0.000 1.046 183 T CA 1.396 63.534 62.100 0.063 0.000 1.139 183 T CB -0.156 68.720 68.868 0.013 0.000 0.871 183 T HN 0.328 nan 8.240 nan 0.000 0.454 184 E N 1.028 121.247 120.200 0.032 0.000 2.077 184 E HA -0.030 4.319 4.350 -0.001 0.000 0.193 184 E C 2.334 179.042 176.600 0.180 0.000 0.989 184 E CA 1.486 57.855 56.400 -0.053 0.000 0.800 184 E CB -0.839 28.635 29.700 -0.377 0.000 0.746 184 E HN 0.447 nan 8.360 nan 0.000 0.452 185 G N -0.094 108.917 108.800 0.351 0.000 2.394 185 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.215 185 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.215 185 G C 1.473 176.597 174.900 0.373 0.000 1.165 185 G CA 0.616 46.024 45.100 0.513 0.000 0.784 185 G HN 0.259 nan 8.290 nan 0.000 0.535 186 Q N -0.134 119.820 119.800 0.256 0.000 2.230 186 Q HA -0.051 4.289 4.340 -0.001 0.000 0.202 186 Q C 2.739 178.836 176.000 0.161 0.000 0.963 186 Q CA 1.383 57.296 55.803 0.184 0.000 0.866 186 Q CB -0.173 28.655 28.738 0.150 0.000 0.931 186 Q HN 0.404 nan 8.270 nan 0.000 0.452 187 T N 0.080 114.740 114.554 0.176 0.000 2.821 187 T HA -0.165 4.184 4.350 -0.001 0.000 0.267 187 T C 1.083 175.876 174.700 0.156 0.000 1.046 187 T CA 0.907 63.083 62.100 0.127 0.000 1.139 187 T CB -0.314 68.624 68.868 0.117 0.000 0.871 187 T HN 0.467 nan 8.240 nan 0.000 0.454 188 W N 1.606 123.002 121.300 0.159 0.000 2.355 188 W HA -0.006 4.653 4.660 -0.001 0.000 0.309 188 W C 1.740 178.380 176.519 0.202 0.000 1.206 188 W CA 0.851 58.375 57.345 0.298 0.000 1.284 188 W CB -0.417 29.288 29.460 0.408 0.000 1.145 188 W HN 0.136 nan 8.180 nan 0.000 0.502 189 L N 0.634 122.062 121.223 0.341 0.000 2.083 189 L HA -0.228 4.111 4.340 -0.001 0.000 0.209 189 L C 2.613 179.413 176.870 -0.117 0.000 1.083 189 L CA 1.780 56.650 54.840 0.050 0.000 0.752 189 L CB -0.886 41.151 42.059 -0.036 0.000 0.899 189 L HN -0.020 nan 8.230 nan 0.000 0.433 190 K N 0.024 120.375 120.400 -0.083 0.000 2.057 190 K HA -0.250 4.069 4.320 -0.001 0.000 0.206 190 K C 2.183 178.639 176.600 -0.239 0.000 1.050 190 K CA 1.498 57.712 56.287 -0.122 0.000 0.935 190 K CB -0.004 32.450 32.500 -0.076 0.000 0.715 190 K HN 0.249 nan 8.250 nan 0.000 0.439 191 Q N -0.720 118.860 119.800 -0.366 0.000 2.050 191 Q HA -0.149 4.190 4.340 -0.001 0.000 0.202 191 Q C 1.465 176.944 176.000 -0.869 0.000 0.980 191 Q CA 1.833 57.243 55.803 -0.656 0.000 0.840 191 Q CB 0.023 28.216 28.738 -0.908 0.000 0.898 191 Q HN 0.314 nan 8.270 nan 0.000 0.424 192 F N -1.476 118.085 119.950 -0.649 0.000 2.582 192 F HA 0.122 4.648 4.527 -0.001 0.000 0.290 192 F C 1.580 177.089 175.800 -0.485 0.000 1.115 192 F CA 0.196 57.754 58.000 -0.737 0.000 1.445 192 F CB 0.411 38.488 39.000 -1.538 0.000 1.126 192 F HN 0.109 nan 8.300 nan 0.000 0.574 193 M N -0.947 118.516 119.600 -0.228 0.000 2.308 193 M HA 0.226 4.705 4.480 -0.001 0.000 0.269 193 M C 0.305 176.594 176.300 -0.018 0.000 1.040 193 M CA 0.105 55.383 55.300 -0.037 0.000 1.024 193 M CB -1.116 31.498 32.600 0.023 0.000 1.465 193 M HN 0.084 nan 8.290 nan 0.000 0.517 194 N N 1.988 120.637 118.700 -0.086 0.000 2.727 194 N HA -0.134 4.606 4.740 -0.001 0.000 0.249 194 N C -0.992 174.503 175.510 -0.025 0.000 1.048 194 N CA 0.738 53.751 53.050 -0.062 0.000 0.714 194 N CB -0.895 37.568 38.487 -0.040 0.000 0.959 194 N HN 0.373 nan 8.380 nan 0.000 0.544 195 V N -3.775 116.126 119.914 -0.022 0.000 2.971 195 V HA 0.852 4.971 4.120 -0.001 0.000 0.309 195 V C -0.023 176.061 176.094 -0.016 0.000 1.130 195 V CA -0.514 61.789 62.300 0.004 0.000 0.964 195 V CB 2.330 34.204 31.823 0.085 0.000 1.029 195 V HN 0.051 nan 8.190 nan 0.000 0.427 196 T N 4.125 118.658 114.554 -0.035 0.000 2.930 196 T HA 0.577 4.926 4.350 -0.001 0.000 0.313 196 T C -2.734 171.885 174.700 -0.135 0.000 1.019 196 T CA -0.812 61.247 62.100 -0.068 0.000 1.004 196 T CB 1.340 70.157 68.868 -0.086 0.000 0.987 196 T HN 0.764 nan 8.240 nan 0.000 0.456 197 P HA 0.157 nan 4.420 nan 0.000 0.266 197 P C 0.851 177.768 177.300 -0.637 0.000 1.195 197 P CA -0.130 62.853 63.100 -0.196 0.000 0.768 197 P CB 0.521 32.222 31.700 0.002 0.000 0.838 198 T N -1.618 112.618 114.554 -0.531 0.000 3.040 198 T HA 0.535 4.884 4.350 -0.001 0.000 0.266 198 T C 0.347 174.856 174.700 -0.318 0.000 1.005 198 T CA -0.283 61.379 62.100 -0.729 0.000 0.906 198 T CB 0.152 68.801 68.868 -0.365 0.000 1.082 198 T HN 0.410 nan 8.240 nan 0.000 0.531 199 A N 0.897 123.695 122.820 -0.037 0.000 2.343 199 A HA 0.794 5.113 4.320 -0.001 0.000 0.316 199 A C -0.148 177.706 177.584 0.450 0.000 1.104 199 A CA -0.694 51.478 52.037 0.224 0.000 0.768 199 A CB 1.779 20.921 19.000 0.237 0.000 1.213 199 A HN 0.261 nan 8.150 nan 0.000 0.456 200 S N 2.297 118.255 115.700 0.430 0.000 2.565 200 S HA 0.673 5.142 4.470 -0.001 0.000 0.290 200 S C -1.070 173.724 174.600 0.323 0.000 1.150 200 S CA -0.432 57.957 58.200 0.316 0.000 1.058 200 S CB 0.737 63.945 63.200 0.013 0.000 1.032 200 S HN 0.819 nan 8.310 nan 0.000 0.510 201 W N 4.600 125.916 121.300 0.027 0.000 2.499 201 W HA 0.632 5.291 4.660 -0.001 0.000 0.320 201 W C -1.485 174.980 176.519 -0.090 0.000 1.010 201 W CA -0.846 56.467 57.345 -0.053 0.000 1.267 201 W CB 1.143 30.547 29.460 -0.095 0.000 1.316 201 W HN 0.785 nan 8.180 nan 0.000 0.431 202 A N 7.916 130.586 122.820 -0.251 0.000 2.893 202 A HA 0.278 4.597 4.320 -0.001 0.000 0.333 202 A C 0.361 177.686 177.584 -0.431 0.000 1.152 202 A CA -0.479 51.407 52.037 -0.251 0.000 0.782 202 A CB -0.373 18.601 19.000 -0.042 0.000 1.108 202 A HN 0.700 nan 8.150 nan 0.000 0.469 203 I N -2.645 117.477 120.570 -0.747 0.000 3.419 203 I HA 0.224 4.393 4.170 -0.001 0.000 0.286 203 I C 0.861 176.626 176.117 -0.587 0.000 1.268 203 I CA 1.030 61.850 61.300 -0.800 0.000 1.414 203 I CB 0.319 37.583 38.000 -1.227 0.000 1.074 203 I HN 0.339 nan 8.210 nan 0.000 0.457 204 D N 0.259 120.269 120.400 -0.650 0.000 2.489 204 D HA 0.242 4.881 4.640 -0.001 0.000 0.231 204 D C -2.189 173.664 176.300 -0.745 0.000 1.114 204 D CA -0.793 52.832 54.000 -0.625 0.000 0.842 204 D CB 0.100 40.435 40.800 -0.775 0.000 1.133 204 D HN 0.173 nan 8.370 nan 0.000 0.506 205 P HA 0.032 nan 4.420 nan 0.000 0.267 205 P C -0.545 176.258 177.300 -0.829 0.000 1.200 205 P CA 0.102 62.646 63.100 -0.926 0.000 0.772 205 P CB 0.183 31.522 31.700 -0.600 0.000 0.855 206 F N 2.202 121.900 119.950 -0.421 0.000 2.541 206 F HA 0.550 5.076 4.527 -0.001 0.000 0.351 206 F C 1.416 177.145 175.800 -0.119 0.000 1.209 206 F CA -0.620 57.077 58.000 -0.506 0.000 1.277 206 F CB -1.095 37.738 39.000 -0.278 0.000 1.632 206 F HN 0.501 nan 8.300 nan 0.000 0.619 207 G N 1.265 109.803 108.800 -0.436 0.000 2.619 207 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.686 207 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.686 207 G C -1.550 172.965 174.900 -0.642 0.000 1.256 207 G CA -1.178 43.774 45.100 -0.246 0.000 0.826 207 G HN 0.610 nan 8.290 nan 0.000 0.619 208 H N -0.602 118.154 119.070 -0.524 0.000 2.768 208 H HA 0.765 5.321 4.556 -0.001 0.000 0.371 208 H C -0.402 174.780 175.328 -0.243 0.000 1.151 208 H CA 0.030 55.957 56.048 -0.203 0.000 1.165 208 H CB 2.066 31.880 29.762 0.087 0.000 1.722 208 H HN 0.691 nan 8.280 nan 0.000 0.543 209 S N 2.230 118.050 115.700 0.200 0.000 2.503 209 S HA 0.264 4.733 4.470 -0.001 0.000 0.301 209 S C -1.823 172.781 174.600 0.006 0.000 1.087 209 S CA -1.783 56.542 58.200 0.209 0.000 1.042 209 S CB 1.344 64.727 63.200 0.305 0.000 1.043 209 S HN 0.443 nan 8.310 nan 0.000 0.489 210 P HA 0.012 nan 4.420 nan 0.000 0.234 210 P C 1.076 178.105 177.300 -0.451 0.000 1.167 210 P CA 0.726 63.406 63.100 -0.701 0.000 0.763 210 P CB -0.240 31.209 31.700 -0.417 0.000 0.835 211 T N -0.220 114.210 114.554 -0.206 0.000 2.833 211 T HA -0.092 4.258 4.350 -0.001 0.000 0.269 211 T C 1.829 176.477 174.700 -0.086 0.000 1.054 211 T CA 1.179 63.204 62.100 -0.125 0.000 1.135 211 T CB -0.388 68.447 68.868 -0.054 0.000 0.869 211 T HN -0.017 nan 8.240 nan 0.000 0.466 212 M N 1.012 120.521 119.600 -0.152 0.000 2.059 212 M HA -0.011 4.468 4.480 -0.001 0.000 0.259 212 M C -0.616 175.544 176.300 -0.233 0.000 1.072 212 M CA 1.269 56.477 55.300 -0.154 0.000 1.117 212 M CB -2.523 30.011 32.600 -0.110 0.000 1.320 212 M HN 0.134 nan 8.290 nan 0.000 0.408 213 P HA -0.197 nan 4.420 nan 0.000 0.218 213 P C 1.678 178.855 177.300 -0.206 0.000 1.149 213 P CA 1.408 64.318 63.100 -0.317 0.000 0.817 213 P CB -0.430 30.991 31.700 -0.464 0.000 0.785 214 Y N 1.184 121.295 120.300 -0.315 0.000 2.097 214 Y HA -0.212 4.337 4.550 -0.001 0.000 0.282 214 Y C 2.414 178.229 175.900 -0.142 0.000 1.152 214 Y CA 1.706 59.685 58.100 -0.201 0.000 1.136 214 Y CB -1.020 37.337 38.460 -0.171 0.000 0.975 214 Y HN -0.239 nan 8.280 nan 0.000 0.498 215 I N -0.364 120.213 120.570 0.012 0.000 2.252 215 I HA -0.318 3.852 4.170 -0.001 0.000 0.245 215 I C 2.313 178.352 176.117 -0.131 0.000 1.102 215 I CA 1.259 62.530 61.300 -0.049 0.000 1.385 215 I CB -0.450 37.586 38.000 0.061 0.000 1.064 215 I HN 0.271 nan 8.210 nan 0.000 0.414 216 L N 0.092 121.190 121.223 -0.210 0.000 2.046 216 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 216 L C 2.686 179.536 176.870 -0.033 0.000 1.077 216 L CA 1.218 55.864 54.840 -0.324 0.000 0.747 216 L CB -0.730 40.944 42.059 -0.641 0.000 0.896 216 L HN 0.354 nan 8.230 nan 0.000 0.432 217 Q N 1.115 120.863 119.800 -0.087 0.000 2.224 217 Q HA -0.185 4.154 4.340 -0.001 0.000 0.203 217 Q C 1.632 177.590 176.000 -0.069 0.000 0.970 217 Q CA 1.460 57.234 55.803 -0.048 0.000 0.865 217 Q CB 0.135 28.817 28.738 -0.094 0.000 0.922 217 Q HN 0.470 nan 8.270 nan 0.000 0.445 218 K N -0.550 119.767 120.400 -0.138 0.000 2.417 218 K HA 0.125 4.445 4.320 -0.001 0.000 0.196 218 K C 0.611 177.172 176.600 -0.065 0.000 1.023 218 K CA 0.083 56.282 56.287 -0.147 0.000 1.122 218 K CB 0.568 32.903 32.500 -0.275 0.000 0.850 218 K HN -0.082 nan 8.250 nan 0.000 0.521 219 S N -0.179 115.539 115.700 0.030 0.000 2.741 219 S HA 0.205 4.674 4.470 -0.001 0.000 0.247 219 S C 0.778 175.479 174.600 0.169 0.000 1.050 219 S CA 0.086 58.352 58.200 0.111 0.000 1.025 219 S CB 1.271 64.581 63.200 0.182 0.000 0.897 219 S HN 0.522 nan 8.310 nan 0.000 0.508 220 G N 1.228 110.077 108.800 0.082 0.000 2.176 220 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.253 220 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.253 220 G C -0.000 174.870 174.900 -0.049 0.000 0.979 220 G CA -0.346 44.746 45.100 -0.013 0.000 0.641 220 G HN 0.446 nan 8.290 nan 0.000 0.530 221 F N 0.359 120.267 119.950 -0.070 0.000 2.450 221 F HA 0.566 5.092 4.527 -0.001 0.000 0.339 221 F C 1.601 177.340 175.800 -0.102 0.000 1.146 221 F CA 0.118 58.072 58.000 -0.077 0.000 1.267 221 F CB 0.871 39.829 39.000 -0.070 0.000 1.178 221 F HN -0.180 nan 8.300 nan 0.000 0.585 222 K N 0.813 121.229 120.400 0.027 0.000 2.464 222 K HA 0.251 4.570 4.320 -0.001 0.000 0.206 222 K C -0.628 175.903 176.600 -0.115 0.000 1.186 222 K CA 0.036 56.279 56.287 -0.074 0.000 0.990 222 K CB 0.270 32.675 32.500 -0.158 0.000 1.003 222 K HN 0.609 nan 8.250 nan 0.000 0.562 223 N N 0.423 119.038 118.700 -0.141 0.000 2.484 223 N HA 0.471 5.211 4.740 -0.001 0.000 0.269 223 N C -1.139 174.215 175.510 -0.260 0.000 1.237 223 N CA -0.669 52.131 53.050 -0.417 0.000 0.838 223 N CB 2.251 39.899 38.487 -1.399 0.000 1.593 223 N HN -0.091 nan 8.380 nan 0.000 0.485 224 M N -0.199 119.259 119.600 -0.237 0.000 2.569 224 M HA 0.630 5.109 4.480 -0.001 0.000 0.279 224 M C -2.102 174.267 176.300 0.114 0.000 1.253 224 M CA -0.938 54.357 55.300 -0.008 0.000 0.867 224 M CB 2.462 35.046 32.600 -0.027 0.000 1.727 224 M HN 0.512 nan 8.290 nan 0.000 0.467 225 L N 3.648 124.953 121.223 0.137 0.000 2.408 225 L HA 0.877 5.216 4.340 -0.001 0.000 0.268 225 L C -1.470 175.281 176.870 -0.198 0.000 0.986 225 L CA -0.734 54.144 54.840 0.064 0.000 0.820 225 L CB 2.046 44.197 42.059 0.152 0.000 1.303 225 L HN 0.947 nan 8.230 nan 0.000 0.411 226 I N 0.940 121.302 120.570 -0.346 0.000 3.042 226 I HA 0.619 4.789 4.170 -0.001 0.000 0.310 226 I C -0.733 175.083 176.117 -0.502 0.000 1.117 226 I CA -0.567 60.340 61.300 -0.654 0.000 1.003 226 I CB 2.264 39.572 38.000 -1.154 0.000 1.228 226 I HN 0.748 nan 8.210 nan 0.000 0.443 227 Q N 1.958 121.529 119.800 -0.382 0.000 2.546 227 Q HA 0.329 4.668 4.340 -0.001 0.000 0.226 227 Q C -0.013 175.887 176.000 -0.166 0.000 0.769 227 Q CA 0.392 56.049 55.803 -0.243 0.000 0.954 227 Q CB 0.606 29.190 28.738 -0.257 0.000 1.319 227 Q HN 0.663 nan 8.270 nan 0.000 0.534 228 R N 2.068 122.487 120.500 -0.135 0.000 2.608 228 R HA 0.335 4.674 4.340 -0.001 0.000 0.277 228 R C -0.655 175.397 176.300 -0.413 0.000 1.341 228 R CA 0.565 56.340 56.100 -0.543 0.000 1.199 228 R CB 0.190 29.776 30.300 -1.190 0.000 1.156 228 R HN 0.379 nan 8.270 nan 0.000 0.558 229 T N -2.503 112.046 114.554 -0.007 0.000 2.924 229 T HA 0.134 4.483 4.350 -0.001 0.000 0.291 229 T C 0.014 174.986 174.700 0.453 0.000 1.045 229 T CA -0.895 61.328 62.100 0.204 0.000 1.015 229 T CB 1.763 70.581 68.868 -0.084 0.000 1.103 229 T HN 0.418 nan 8.240 nan 0.000 0.496 230 H N 2.008 121.299 119.070 0.368 0.000 3.140 230 H HA -0.050 4.505 4.556 -0.001 0.000 0.316 230 H C 1.076 176.447 175.328 0.071 0.000 0.986 230 H CA 0.495 56.638 56.048 0.158 0.000 1.397 230 H CB 0.327 30.209 29.762 0.200 0.000 1.377 230 H HN 0.928 nan 8.280 nan 0.000 0.585 231 Y N 2.349 122.768 120.300 0.198 0.000 2.315 231 Y HA -0.177 4.372 4.550 -0.001 0.000 0.288 231 Y C 2.154 178.222 175.900 0.279 0.000 1.154 231 Y CA 1.022 59.258 58.100 0.227 0.000 1.229 231 Y CB -0.646 37.886 38.460 0.120 0.000 0.980 231 Y HN 0.290 nan 8.280 nan 0.000 0.540 232 S N 0.209 115.925 115.700 0.026 0.000 2.406 232 S HA -0.098 4.371 4.470 -0.001 0.000 0.228 232 S C 2.077 176.580 174.600 -0.162 0.000 1.020 232 S CA 1.061 59.171 58.200 -0.151 0.000 0.965 232 S CB -0.495 62.378 63.200 -0.544 0.000 0.798 232 S HN 0.370 nan 8.310 nan 0.000 0.488 233 V N 1.956 121.832 119.914 -0.062 0.000 2.307 233 V HA -0.165 3.955 4.120 -0.001 0.000 0.245 233 V C 2.234 178.358 176.094 0.050 0.000 1.045 233 V CA 1.594 63.896 62.300 0.002 0.000 1.024 233 V CB -0.496 31.437 31.823 0.184 0.000 0.651 233 V HN 0.397 nan 8.190 nan 0.000 0.449 234 K N 0.115 120.587 120.400 0.121 0.000 2.032 234 K HA -0.261 4.058 4.320 -0.001 0.000 0.209 234 K C 2.270 178.995 176.600 0.210 0.000 1.048 234 K CA 1.908 58.284 56.287 0.148 0.000 0.927 234 K CB -0.250 32.397 32.500 0.245 0.000 0.712 234 K HN 0.349 nan 8.250 nan 0.000 0.441 235 K N 1.118 121.642 120.400 0.207 0.000 2.026 235 K HA -0.238 4.081 4.320 -0.001 0.000 0.208 235 K C 2.135 178.829 176.600 0.157 0.000 1.048 235 K CA 1.780 58.197 56.287 0.217 0.000 0.929 235 K CB 0.026 32.584 32.500 0.096 0.000 0.713 235 K HN -0.019 nan 8.250 nan 0.000 0.439 236 E N 0.816 121.027 120.200 0.019 0.000 2.051 236 E HA -0.150 4.200 4.350 -0.001 0.000 0.192 236 E C 1.915 178.508 176.600 -0.012 0.000 0.991 236 E CA 1.415 57.786 56.400 -0.048 0.000 0.799 236 E CB -0.155 29.466 29.700 -0.131 0.000 0.748 236 E HN 0.352 nan 8.360 nan 0.000 0.449 237 L N -0.297 120.929 121.223 0.005 0.000 2.109 237 L HA -0.036 4.304 4.340 -0.001 0.000 0.207 237 L C 2.490 179.380 176.870 0.033 0.000 1.086 237 L CA 0.854 55.690 54.840 -0.005 0.000 0.760 237 L CB -0.548 41.491 42.059 -0.034 0.000 0.910 237 L HN 0.200 nan 8.230 nan 0.000 0.437 238 A N -0.205 122.687 122.820 0.120 0.000 1.902 238 A HA -0.250 4.069 4.320 -0.001 0.000 0.217 238 A C 2.224 179.995 177.584 0.311 0.000 1.181 238 A CA 1.500 53.666 52.037 0.215 0.000 0.623 238 A CB -0.458 18.819 19.000 0.462 0.000 0.818 238 A HN 0.460 nan 8.150 nan 0.000 0.443 239 Q N -0.923 119.014 119.800 0.229 0.000 2.170 239 Q HA -0.157 4.182 4.340 -0.001 0.000 0.203 239 Q C 1.310 177.299 176.000 -0.018 0.000 0.976 239 Q CA 1.281 57.065 55.803 -0.032 0.000 0.858 239 Q CB -0.048 28.540 28.738 -0.250 0.000 0.907 239 Q HN 0.620 nan 8.270 nan 0.000 0.433 240 Q N -0.174 119.628 119.800 0.002 0.000 2.247 240 Q HA 0.141 4.480 4.340 -0.001 0.000 0.204 240 Q C -0.413 175.602 176.000 0.024 0.000 0.872 240 Q CA -0.033 55.768 55.803 -0.003 0.000 0.951 240 Q CB 0.628 29.354 28.738 -0.019 0.000 1.099 240 Q HN 0.274 nan 8.270 nan 0.000 0.501 241 R N 0.864 121.385 120.500 0.035 0.000 3.333 241 R HA -0.208 4.131 4.340 -0.001 0.000 0.256 241 R C -0.138 176.194 176.300 0.052 0.000 1.010 241 R CA 0.463 56.575 56.100 0.020 0.000 0.680 241 R CB -1.871 28.465 30.300 0.059 0.000 1.102 241 R HN 0.395 nan 8.270 nan 0.000 0.440 242 Q N 0.038 119.858 119.800 0.033 0.000 2.165 242 Q HA 0.197 4.536 4.340 -0.001 0.000 0.245 242 Q C 1.224 177.304 176.000 0.133 0.000 0.841 242 Q CA -0.241 55.616 55.803 0.089 0.000 1.078 242 Q CB 0.554 29.307 28.738 0.025 0.000 1.169 242 Q HN 0.439 nan 8.270 nan 0.000 0.475 243 L N 0.103 121.339 121.223 0.021 0.000 2.395 243 L HA 0.031 4.371 4.340 -0.001 0.000 0.218 243 L C 0.350 177.216 176.870 -0.007 0.000 1.130 243 L CA 0.992 55.815 54.840 -0.028 0.000 0.826 243 L CB 0.306 42.158 42.059 -0.346 0.000 0.941 243 L HN 0.191 nan 8.230 nan 0.000 0.451 244 E N 0.055 120.291 120.200 0.059 0.000 2.158 244 E HA 0.517 4.867 4.350 -0.001 0.000 0.271 244 E C -1.224 175.285 176.600 -0.152 0.000 0.911 244 E CA -0.531 55.700 56.400 -0.280 0.000 0.767 244 E CB 1.556 31.233 29.700 -0.039 0.000 1.120 244 E HN -0.005 nan 8.360 nan 0.000 0.405 245 F N -0.280 119.405 119.950 -0.441 0.000 2.686 245 F HA 0.471 4.998 4.527 -0.001 0.000 0.311 245 F C -1.495 174.180 175.800 -0.209 0.000 1.128 245 F CA -1.386 56.497 58.000 -0.194 0.000 0.946 245 F CB 0.792 39.715 39.000 -0.129 0.000 1.336 245 F HN 0.159 nan 8.300 nan 0.000 0.457 246 L N 2.532 123.908 121.223 0.254 0.000 2.282 246 L HA 0.169 4.508 4.340 -0.001 0.000 0.287 246 L C -1.123 175.974 176.870 0.379 0.000 1.075 246 L CA -0.227 54.760 54.840 0.245 0.000 0.839 246 L CB 0.488 42.697 42.059 0.251 0.000 1.219 246 L HN 0.579 nan 8.230 nan 0.000 0.434 247 W N 6.853 128.261 121.300 0.179 0.000 2.387 247 W HA 0.330 4.989 4.660 -0.001 0.000 0.310 247 W C 0.237 176.783 176.519 0.046 0.000 1.181 247 W CA -1.252 56.218 57.345 0.208 0.000 1.333 247 W CB 0.440 30.060 29.460 0.266 0.000 1.286 247 W HN 0.508 nan 8.180 nan 0.000 0.455 248 R N 3.684 124.362 120.500 0.297 0.000 2.856 248 R HA 0.552 4.891 4.340 -0.001 0.000 0.258 248 R C -0.102 176.106 176.300 -0.153 0.000 1.066 248 R CA -0.932 55.168 56.100 0.001 0.000 1.045 248 R CB 1.070 31.352 30.300 -0.029 0.000 1.178 248 R HN 0.229 nan 8.270 nan 0.000 0.499 249 Q N 1.279 120.831 119.800 -0.413 0.000 2.394 249 Q HA 0.064 4.403 4.340 -0.001 0.000 0.248 249 Q C 1.480 177.075 176.000 -0.675 0.000 0.992 249 Q CA 0.083 55.433 55.803 -0.756 0.000 0.888 249 Q CB 0.832 28.649 28.738 -1.536 0.000 1.257 249 Q HN 0.848 nan 8.270 nan 0.000 0.462 250 I N -2.043 118.225 120.570 -0.504 0.000 2.423 250 I HA -0.166 4.003 4.170 -0.001 0.000 0.254 250 I C 1.295 177.342 176.117 -0.117 0.000 1.151 250 I CA 1.368 62.541 61.300 -0.211 0.000 1.421 250 I CB -0.363 37.615 38.000 -0.037 0.000 1.079 250 I HN 0.678 nan 8.210 nan 0.000 0.431 251 W N 1.336 122.700 121.300 0.106 0.000 3.278 251 W HA 0.366 5.025 4.660 -0.001 0.000 0.308 251 W C 0.234 176.833 176.519 0.134 0.000 1.253 251 W CA -0.710 56.761 57.345 0.209 0.000 1.759 251 W CB -0.733 28.935 29.460 0.347 0.000 1.093 251 W HN -0.063 nan 8.180 nan 0.000 0.648 252 D N 2.061 122.210 120.400 -0.418 0.000 2.402 252 D HA -0.036 4.603 4.640 -0.001 0.000 0.235 252 D C 1.085 177.363 176.300 -0.037 0.000 1.226 252 D CA 0.235 54.124 54.000 -0.184 0.000 0.918 252 D CB -0.013 40.582 40.800 -0.341 0.000 1.043 252 D HN 0.274 nan 8.370 nan 0.000 0.506 253 N N 3.629 122.367 118.700 0.064 0.000 2.216 253 N HA -0.152 4.588 4.740 -0.001 0.000 0.183 253 N C 1.419 176.950 175.510 0.036 0.000 1.017 253 N CA 0.566 53.646 53.050 0.051 0.000 0.861 253 N CB 0.223 38.762 38.487 0.087 0.000 0.986 253 N HN 0.286 nan 8.380 nan 0.000 0.428 254 K N -0.396 120.031 120.400 0.046 0.000 2.116 254 K HA -0.010 4.310 4.320 -0.001 0.000 0.203 254 K C 0.818 177.435 176.600 0.028 0.000 1.052 254 K CA 1.089 57.399 56.287 0.039 0.000 0.952 254 K CB 0.080 32.608 32.500 0.047 0.000 0.729 254 K HN 0.328 nan 8.250 nan 0.000 0.446 255 G N 0.973 109.782 108.800 0.016 0.000 2.159 255 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.227 255 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.227 255 G C 0.134 175.041 174.900 0.013 0.000 0.986 255 G CA 0.366 45.473 45.100 0.012 0.000 0.651 255 G HN 0.376 nan 8.290 nan 0.000 0.523 256 D N 0.664 121.073 120.400 0.016 0.000 2.350 256 D HA -0.026 4.613 4.640 -0.001 0.000 0.216 256 D C 2.510 178.805 176.300 -0.007 0.000 0.968 256 D CA 1.679 55.686 54.000 0.011 0.000 0.894 256 D CB -0.216 40.597 40.800 0.021 0.000 0.909 256 D HN 0.681 nan 8.370 nan 0.000 0.520 257 T N -2.142 112.400 114.554 -0.021 0.000 3.100 257 T HA 0.324 4.673 4.350 -0.001 0.000 0.253 257 T C 0.995 175.665 174.700 -0.050 0.000 1.118 257 T CA -0.134 61.935 62.100 -0.051 0.000 1.058 257 T CB 0.050 68.875 68.868 -0.071 0.000 0.953 257 T HN 0.067 nan 8.240 nan 0.000 0.515 258 A N 1.454 124.268 122.820 -0.010 0.000 2.540 258 A HA 0.538 4.857 4.320 -0.001 0.000 0.239 258 A C -0.264 177.345 177.584 0.042 0.000 1.061 258 A CA -0.275 51.787 52.037 0.040 0.000 0.758 258 A CB -0.144 18.904 19.000 0.080 0.000 0.991 258 A HN 0.548 nan 8.150 nan 0.000 0.502 259 L N 2.662 123.931 121.223 0.077 0.000 2.409 259 L HA 0.566 4.905 4.340 -0.001 0.000 0.272 259 L C -0.684 176.246 176.870 0.100 0.000 0.980 259 L CA -0.563 54.315 54.840 0.063 0.000 0.826 259 L CB 1.503 43.566 42.059 0.005 0.000 1.268 259 L HN 0.662 nan 8.230 nan 0.000 0.407 260 F N 3.777 123.687 119.950 -0.066 0.000 2.578 260 F HA 0.425 4.951 4.527 -0.001 0.000 0.381 260 F C 0.026 175.705 175.800 -0.202 0.000 1.069 260 F CA 0.741 58.667 58.000 -0.123 0.000 1.231 260 F CB 0.480 39.420 39.000 -0.099 0.000 1.086 260 F HN 0.563 nan 8.300 nan 0.000 0.564 261 T N 5.321 119.296 114.554 -0.966 0.000 2.861 261 T HA 0.208 4.557 4.350 -0.001 0.000 0.287 261 T C -1.626 172.445 174.700 -1.049 0.000 1.003 261 T CA -0.483 61.128 62.100 -0.816 0.000 0.977 261 T CB 0.948 69.320 68.868 -0.828 0.000 0.996 261 T HN 0.615 nan 8.240 nan 0.000 0.448 262 H N 2.756 121.523 119.070 -0.505 0.000 2.551 262 H HA 0.632 5.187 4.556 -0.001 0.000 0.321 262 H C -0.435 174.706 175.328 -0.312 0.000 1.028 262 H CA -0.753 55.116 56.048 -0.299 0.000 1.215 262 H CB 0.751 30.559 29.762 0.076 0.000 1.414 262 H HN 0.487 nan 8.280 nan 0.000 0.480 263 M N 6.873 126.137 119.600 -0.560 0.000 2.157 263 M HA 0.305 4.785 4.480 -0.001 0.000 0.354 263 M C -0.923 175.125 176.300 -0.420 0.000 1.170 263 M CA -0.627 54.421 55.300 -0.420 0.000 1.060 263 M CB 0.770 33.177 32.600 -0.321 0.000 1.615 263 M HN 0.673 nan 8.290 nan 0.000 0.460 264 M N 6.761 126.212 119.600 -0.247 0.000 2.248 264 M HA 0.171 4.651 4.480 -0.001 0.000 0.337 264 M C -1.540 174.624 176.300 -0.226 0.000 1.121 264 M CA -1.148 54.053 55.300 -0.165 0.000 1.155 264 M CB 0.383 32.909 32.600 -0.124 0.000 1.514 264 M HN 0.490 nan 8.290 nan 0.000 0.452 265 P HA 0.077 nan 4.420 nan 0.000 0.239 265 P C -0.314 176.792 177.300 -0.324 0.000 1.188 265 P CA 0.942 63.730 63.100 -0.520 0.000 0.794 265 P CB 0.324 31.416 31.700 -1.013 0.000 0.937 266 F N -1.807 118.149 119.950 0.010 0.000 2.535 266 F HA 0.291 4.817 4.527 -0.001 0.000 0.367 266 F C 2.056 177.954 175.800 0.162 0.000 1.096 266 F CA -1.484 56.565 58.000 0.081 0.000 1.088 266 F CB -0.920 38.064 39.000 -0.026 0.000 1.387 266 F HN -0.307 nan 8.300 nan 0.000 0.494 267 Y N 0.021 120.486 120.300 0.276 0.000 2.352 267 Y HA 0.078 4.627 4.550 -0.001 0.000 0.292 267 Y C 0.934 176.763 175.900 -0.119 0.000 1.136 267 Y CA 1.406 59.525 58.100 0.032 0.000 1.227 267 Y CB 0.081 38.475 38.460 -0.109 0.000 0.991 267 Y HN 0.365 nan 8.280 nan 0.000 0.545 268 S N -1.798 113.771 115.700 -0.219 0.000 2.651 268 S HA 0.252 4.722 4.470 -0.001 0.000 0.279 268 S C -0.391 174.131 174.600 -0.130 0.000 1.148 268 S CA -0.407 57.557 58.200 -0.394 0.000 0.837 268 S CB 0.339 63.245 63.200 -0.491 0.000 1.138 268 S HN 0.286 nan 8.310 nan 0.000 0.478 269 Y N 0.814 121.077 120.300 -0.063 0.000 2.466 269 Y HA 0.314 4.863 4.550 -0.001 0.000 0.272 269 Y C 0.416 176.406 175.900 0.150 0.000 1.169 269 Y CA -0.648 57.440 58.100 -0.019 0.000 1.285 269 Y CB -1.039 37.313 38.460 -0.179 0.000 1.078 269 Y HN 0.535 nan 8.280 nan 0.000 0.523 270 D N 0.582 121.004 120.400 0.037 0.000 2.371 270 D HA -0.011 4.628 4.640 -0.001 0.000 0.242 270 D C 1.227 177.662 176.300 0.225 0.000 1.218 270 D CA -0.443 53.664 54.000 0.178 0.000 0.945 270 D CB 0.849 41.714 40.800 0.109 0.000 1.137 270 D HN 0.246 nan 8.370 nan 0.000 0.464 271 I N -0.116 120.565 120.570 0.185 0.000 2.208 271 I HA -0.168 4.002 4.170 -0.001 0.000 0.245 271 I C -0.746 175.415 176.117 0.073 0.000 1.097 271 I CA 0.943 62.334 61.300 0.152 0.000 1.363 271 I CB -1.175 36.902 38.000 0.128 0.000 1.051 271 I HN 0.359 nan 8.210 nan 0.000 0.413 272 P HA -0.156 nan 4.420 nan 0.000 0.221 272 P C 0.851 177.846 177.300 -0.509 0.000 1.145 272 P CA 1.530 64.457 63.100 -0.288 0.000 0.795 272 P CB -0.089 31.431 31.700 -0.300 0.000 0.775 273 H N -2.302 116.765 119.070 -0.004 0.000 2.486 273 H HA 0.275 4.830 4.556 -0.001 0.000 0.284 273 H C 0.736 176.161 175.328 0.162 0.000 1.103 273 H CA 0.739 56.796 56.048 0.014 0.000 1.089 273 H CB 0.083 29.923 29.762 0.130 0.000 1.603 273 H HN 0.219 nan 8.280 nan 0.000 0.557 274 T N -3.432 111.238 114.554 0.194 0.000 2.986 274 T HA -0.032 4.317 4.350 -0.001 0.000 0.264 274 T C 1.874 176.697 174.700 0.206 0.000 0.964 274 T CA 0.248 62.492 62.100 0.238 0.000 0.895 274 T CB -0.827 68.172 68.868 0.219 0.000 1.163 274 T HN 0.430 nan 8.240 nan 0.000 0.517 275 c N 1.516 120.207 118.600 0.151 0.000 2.533 275 c HA 0.720 5.290 4.570 -0.001 0.000 0.272 275 c C 1.313 175.523 174.090 0.201 0.000 1.371 275 c CA 0.421 56.880 56.329 0.217 0.000 1.758 275 c CB -1.089 41.512 42.510 0.152 0.000 1.972 275 c HN 0.865 nan 8.230 nan 0.000 0.522 276 G N -0.246 108.588 108.800 0.057 0.000 2.320 276 G HA2 0.397 4.356 3.960 -0.001 0.000 0.296 276 G HA3 0.397 4.356 3.960 -0.001 0.000 0.296 276 G C -2.696 171.828 174.900 -0.628 0.000 1.306 276 G CA 0.247 45.320 45.100 -0.044 0.000 0.836 276 G HN -0.109 nan 8.290 nan 0.000 0.517 277 P HA 0.086 nan 4.420 nan 0.000 0.233 277 P C -0.174 176.697 177.300 -0.715 0.000 1.167 277 P CA 1.046 63.450 63.100 -1.160 0.000 0.770 277 P CB 0.397 31.719 31.700 -0.630 0.000 0.837 278 D N 0.904 120.997 120.400 -0.512 0.000 2.460 278 D HA 0.146 4.785 4.640 -0.001 0.000 0.232 278 D C -1.459 174.490 176.300 -0.584 0.000 1.079 278 D CA -2.651 51.091 54.000 -0.430 0.000 0.864 278 D CB 1.353 41.990 40.800 -0.271 0.000 1.048 278 D HN -0.018 nan 8.370 nan 0.000 0.523 279 P HA -0.165 nan 4.420 nan 0.000 0.220 279 P C 1.212 177.676 177.300 -1.394 0.000 1.148 279 P CA 0.812 63.132 63.100 -1.300 0.000 0.803 279 P CB 0.486 31.107 31.700 -1.798 0.000 0.782 280 K N 0.236 119.965 120.400 -1.119 0.000 2.148 280 K HA -0.058 4.262 4.320 -0.001 0.000 0.204 280 K C 1.793 178.217 176.600 -0.293 0.000 1.050 280 K CA 1.064 57.016 56.287 -0.559 0.000 0.942 280 K CB -0.271 32.089 32.500 -0.234 0.000 0.724 280 K HN -0.072 nan 8.250 nan 0.000 0.446 281 V N 0.335 120.078 119.914 -0.285 0.000 2.379 281 V HA -0.216 3.903 4.120 -0.001 0.000 0.243 281 V C 2.367 178.434 176.094 -0.045 0.000 1.035 281 V CA 1.314 63.541 62.300 -0.123 0.000 1.035 281 V CB -0.251 31.515 31.823 -0.096 0.000 0.673 281 V HN 0.485 nan 8.190 nan 0.000 0.457 282 c N -0.723 117.772 118.600 -0.174 0.000 2.422 282 c HA -0.189 4.381 4.570 -0.001 0.000 0.279 282 c C 2.980 177.042 174.090 -0.046 0.000 1.305 282 c CA 0.781 57.072 56.329 -0.063 0.000 1.757 282 c CB -1.465 40.926 42.510 -0.198 0.000 1.962 282 c HN 0.758 nan 8.230 nan 0.000 0.499 283 c N 0.894 119.381 118.600 -0.188 0.000 2.410 283 c HA -0.147 4.423 4.570 -0.001 0.000 0.281 283 c C 2.575 176.562 174.090 -0.170 0.000 1.318 283 c CA 1.228 57.498 56.329 -0.099 0.000 1.776 283 c CB -1.463 41.074 42.510 0.044 0.000 1.942 283 c HN 0.640 nan 8.230 nan 0.000 0.508 284 Q N -1.345 118.299 119.800 -0.262 0.000 2.515 284 Q HA -0.006 4.333 4.340 -0.001 0.000 0.212 284 Q C 0.597 175.914 176.000 -1.139 0.000 0.970 284 Q CA 0.922 56.379 55.803 -0.577 0.000 0.941 284 Q CB -0.022 28.362 28.738 -0.591 0.000 0.998 284 Q HN 0.746 nan 8.270 nan 0.000 0.518 285 F N -0.347 119.306 119.950 -0.494 0.000 2.698 285 F HA 0.169 4.696 4.527 -0.001 0.000 0.304 285 F C 0.226 175.739 175.800 -0.479 0.000 1.108 285 F CA -0.603 56.995 58.000 -0.669 0.000 1.263 285 F CB 0.804 39.657 39.000 -0.245 0.000 1.013 285 F HN -0.138 nan 8.300 nan 0.000 0.532 286 D N 0.121 120.297 120.400 -0.373 0.000 2.467 286 D HA 0.136 4.775 4.640 -0.001 0.000 0.220 286 D C 0.492 176.625 176.300 -0.277 0.000 1.103 286 D CA -0.364 53.543 54.000 -0.156 0.000 0.886 286 D CB 0.129 40.890 40.800 -0.065 0.000 1.025 286 D HN 0.081 nan 8.370 nan 0.000 0.514 287 F N 1.778 121.734 119.950 0.011 0.000 2.771 287 F HA 0.086 4.612 4.527 -0.001 0.000 0.299 287 F C 2.317 178.070 175.800 -0.079 0.000 1.177 287 F CA 0.333 58.312 58.000 -0.035 0.000 1.450 287 F CB 0.058 39.056 39.000 -0.002 0.000 1.114 287 F HN 0.258 nan 8.300 nan 0.000 0.587 288 K N 0.671 121.019 120.400 -0.087 0.000 2.487 288 K HA 0.074 4.393 4.320 -0.001 0.000 0.192 288 K C 1.038 177.616 176.600 -0.038 0.000 1.027 288 K CA 0.174 56.280 56.287 -0.301 0.000 1.054 288 K CB 0.136 32.299 32.500 -0.562 0.000 0.824 288 K HN 0.191 nan 8.250 nan 0.000 0.510 289 R N 0.119 120.618 120.500 -0.002 0.000 2.586 289 R HA 0.208 4.548 4.340 -0.001 0.000 0.306 289 R C 0.864 177.194 176.300 0.050 0.000 1.079 289 R CA -0.159 55.960 56.100 0.031 0.000 1.083 289 R CB 0.246 30.540 30.300 -0.009 0.000 1.306 289 R HN 0.184 nan 8.270 nan 0.000 0.567 290 M N -1.056 118.607 119.600 0.105 0.000 2.502 290 M HA 0.182 4.661 4.480 -0.001 0.000 0.243 290 M C 1.142 177.482 176.300 0.067 0.000 1.130 290 M CA 0.739 56.084 55.300 0.074 0.000 1.055 290 M CB 0.922 33.577 32.600 0.092 0.000 1.457 290 M HN 0.490 nan 8.290 nan 0.000 0.488 291 G N 0.078 108.936 108.800 0.096 0.000 3.465 291 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.196 291 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.196 291 G C 0.982 175.892 174.900 0.017 0.000 1.170 291 G CA 0.225 45.355 45.100 0.049 0.000 0.887 291 G HN 0.400 nan 8.290 nan 0.000 0.444 292 S N 0.289 115.959 115.700 -0.049 0.000 2.474 292 S HA 0.190 4.660 4.470 -0.001 0.000 0.235 292 S C 1.682 176.093 174.600 -0.315 0.000 0.997 292 S CA 1.546 59.618 58.200 -0.213 0.000 0.949 292 S CB -0.410 62.584 63.200 -0.343 0.000 0.766 292 S HN 0.368 nan 8.310 nan 0.000 0.517 293 F N 1.723 121.673 119.950 -0.001 0.000 2.727 293 F HA 0.441 4.967 4.527 -0.001 0.000 0.302 293 F C 1.848 177.650 175.800 0.005 0.000 1.097 293 F CA -0.154 57.846 58.000 -0.001 0.000 1.330 293 F CB -0.100 38.895 39.000 -0.009 0.000 1.084 293 F HN 0.343 nan 8.300 nan 0.000 0.578 294 G N 1.236 110.111 108.800 0.126 0.000 2.160 294 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.251 294 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.251 294 G C -0.087 174.868 174.900 0.092 0.000 1.008 294 G CA 0.103 45.254 45.100 0.085 0.000 0.724 294 G HN 0.315 nan 8.290 nan 0.000 0.514 295 L N 0.048 121.339 121.223 0.114 0.000 2.319 295 L HA 0.864 5.204 4.340 -0.001 0.000 0.267 295 L C 0.556 177.462 176.870 0.060 0.000 1.011 295 L CA -0.360 54.528 54.840 0.081 0.000 0.818 295 L CB 2.304 44.409 42.059 0.077 0.000 1.316 295 L HN 0.462 nan 8.230 nan 0.000 0.432 296 S N -0.729 114.993 115.700 0.037 0.000 2.671 296 S HA 0.525 4.995 4.470 -0.001 0.000 0.277 296 S C -1.275 173.339 174.600 0.022 0.000 1.165 296 S CA -0.810 57.402 58.200 0.021 0.000 0.822 296 S CB 1.601 64.803 63.200 0.004 0.000 1.150 296 S HN 0.521 nan 8.310 nan 0.000 0.479 297 c N 3.049 121.665 118.600 0.027 0.000 2.255 297 c HA 0.558 5.128 4.570 -0.001 0.000 0.326 297 c C -0.991 173.085 174.090 -0.024 0.000 1.258 297 c CA -1.211 55.169 56.329 0.085 0.000 1.676 297 c CB 0.894 43.492 42.510 0.146 0.000 2.314 297 c HN 0.768 nan 8.230 nan 0.000 0.509 298 P HA -0.094 nan 4.420 nan 0.000 0.225 298 P C 1.105 178.106 177.300 -0.500 0.000 1.148 298 P CA 1.301 64.112 63.100 -0.482 0.000 0.779 298 P CB 0.079 31.319 31.700 -0.766 0.000 0.780 299 W N 0.560 121.838 121.300 -0.037 0.000 3.180 299 W HA 0.161 4.821 4.660 -0.001 0.000 0.254 299 W C 0.754 177.247 176.519 -0.044 0.000 1.318 299 W CA 0.177 57.496 57.345 -0.044 0.000 1.608 299 W CB -0.514 28.910 29.460 -0.060 0.000 1.124 299 W HN 0.147 nan 8.180 nan 0.000 0.694 300 K N -1.207 119.237 120.400 0.074 0.000 3.512 300 K HA -0.182 4.137 4.320 -0.001 0.000 0.309 300 K C -0.323 176.298 176.600 0.035 0.000 1.350 300 K CA 0.578 56.884 56.287 0.032 0.000 0.960 300 K CB -1.904 30.604 32.500 0.013 0.000 1.290 300 K HN -0.116 nan 8.250 nan 0.000 0.454 301 V N 1.953 121.899 119.914 0.055 0.000 2.378 301 V HA 0.331 4.451 4.120 -0.001 0.000 0.288 301 V C -1.776 174.305 176.094 -0.021 0.000 1.016 301 V CA -1.498 60.806 62.300 0.006 0.000 0.840 301 V CB 1.462 33.281 31.823 -0.005 0.000 0.994 301 V HN -0.024 nan 8.190 nan 0.000 0.431 302 P HA 0.455 nan 4.420 nan 0.000 0.278 302 P C -2.882 174.330 177.300 -0.145 0.000 1.258 302 P CA -2.088 60.971 63.100 -0.069 0.000 0.811 302 P CB 0.771 32.447 31.700 -0.041 0.000 1.063 303 P HA 0.326 nan 4.420 nan 0.000 0.274 303 P C -0.328 176.871 177.300 -0.168 0.000 1.237 303 P CA -0.037 62.859 63.100 -0.340 0.000 0.793 303 P CB 0.631 32.076 31.700 -0.425 0.000 0.977 304 R N 0.066 120.477 120.500 -0.148 0.000 2.628 304 R HA 0.397 4.736 4.340 -0.001 0.000 0.288 304 R C -0.483 175.877 176.300 0.099 0.000 0.980 304 R CA -0.636 55.449 56.100 -0.025 0.000 0.891 304 R CB 1.470 31.730 30.300 -0.067 0.000 1.188 304 R HN 0.364 nan 8.270 nan 0.000 0.450 305 T N 4.135 118.736 114.554 0.079 0.000 2.871 305 T HA 0.044 4.393 4.350 -0.001 0.000 0.296 305 T C 0.753 175.438 174.700 -0.025 0.000 0.998 305 T CA 0.119 62.236 62.100 0.027 0.000 1.162 305 T CB 0.086 68.951 68.868 -0.004 0.000 0.947 305 T HN 0.191 nan 8.240 nan 0.000 0.536 306 I N 4.185 124.693 120.570 -0.103 0.000 2.556 306 I HA 0.225 4.394 4.170 -0.001 0.000 0.284 306 I C 1.027 177.091 176.117 -0.089 0.000 1.114 306 I CA 0.126 61.367 61.300 -0.097 0.000 1.418 306 I CB 0.114 38.017 38.000 -0.162 0.000 1.394 306 I HN 0.769 nan 8.210 nan 0.000 0.552 307 S N 3.886 119.545 115.700 -0.067 0.000 2.697 307 S HA 0.449 4.918 4.470 -0.001 0.000 0.289 307 S C 0.329 174.895 174.600 -0.058 0.000 1.149 307 S CA -0.761 57.407 58.200 -0.054 0.000 0.850 307 S CB 2.095 65.271 63.200 -0.039 0.000 1.151 307 S HN 0.496 nan 8.310 nan 0.000 0.491 308 D N 0.586 120.961 120.400 -0.041 0.000 2.218 308 D HA -0.033 4.607 4.640 -0.001 0.000 0.204 308 D C 1.478 177.750 176.300 -0.047 0.000 0.976 308 D CA 1.338 55.315 54.000 -0.038 0.000 0.853 308 D CB -0.222 40.571 40.800 -0.012 0.000 0.939 308 D HN 0.520 nan 8.370 nan 0.000 0.481 309 Q N 0.093 119.870 119.800 -0.038 0.000 2.432 309 Q HA 0.001 4.341 4.340 -0.001 0.000 0.205 309 Q C 1.039 177.014 176.000 -0.042 0.000 0.945 309 Q CA 0.675 56.458 55.803 -0.033 0.000 0.924 309 Q CB -0.012 28.713 28.738 -0.022 0.000 1.016 309 Q HN 0.367 nan 8.270 nan 0.000 0.503 310 N N -2.132 116.534 118.700 -0.056 0.000 2.143 310 N HA -0.007 4.732 4.740 -0.001 0.000 0.222 310 N C 0.953 176.414 175.510 -0.081 0.000 1.264 310 N CA 0.085 53.103 53.050 -0.053 0.000 0.897 310 N CB -0.280 38.184 38.487 -0.039 0.000 1.092 310 N HN 0.027 nan 8.380 nan 0.000 0.516 311 V N 0.468 120.298 119.914 -0.141 0.000 2.490 311 V HA -0.042 4.077 4.120 -0.001 0.000 0.250 311 V C 2.188 178.075 176.094 -0.346 0.000 1.061 311 V CA 2.061 64.224 62.300 -0.227 0.000 1.064 311 V CB -0.794 30.860 31.823 -0.281 0.000 0.670 311 V HN 0.446 nan 8.190 nan 0.000 0.461 312 A N -0.302 122.303 122.820 -0.358 0.000 1.898 312 A HA 0.036 4.356 4.320 -0.001 0.000 0.216 312 A C 2.403 180.031 177.584 0.074 0.000 1.181 312 A CA 1.898 53.852 52.037 -0.139 0.000 0.620 312 A CB -0.886 18.129 19.000 0.024 0.000 0.819 312 A HN 0.767 nan 8.150 nan 0.000 0.442 313 A N -0.368 122.468 122.820 0.026 0.000 1.898 313 A HA -0.101 4.218 4.320 -0.001 0.000 0.216 313 A C 2.226 179.850 177.584 0.067 0.000 1.181 313 A CA 1.231 53.301 52.037 0.055 0.000 0.620 313 A CB -0.412 18.603 19.000 0.025 0.000 0.819 313 A HN 0.406 nan 8.150 nan 0.000 0.442 314 R N 0.118 120.651 120.500 0.054 0.000 2.081 314 R HA -0.056 4.283 4.340 -0.001 0.000 0.235 314 R C 2.377 178.718 176.300 0.068 0.000 1.131 314 R CA 1.551 57.738 56.100 0.145 0.000 0.960 314 R CB -0.948 29.443 30.300 0.151 0.000 0.856 314 R HN 0.518 nan 8.270 nan 0.000 0.436 315 S N 1.176 116.872 115.700 -0.007 0.000 2.382 315 S HA -0.148 4.321 4.470 -0.001 0.000 0.228 315 S C 1.499 175.984 174.600 -0.191 0.000 1.027 315 S CA 1.441 59.543 58.200 -0.164 0.000 0.991 315 S CB -0.268 62.969 63.200 0.062 0.000 0.823 315 S HN 0.299 nan 8.310 nan 0.000 0.469 316 D N 1.221 121.702 120.400 0.135 0.000 2.117 316 D HA -0.040 4.599 4.640 -0.001 0.000 0.197 316 D C 1.810 178.119 176.300 0.015 0.000 0.987 316 D CA 0.857 54.992 54.000 0.225 0.000 0.829 316 D CB -0.182 40.774 40.800 0.259 0.000 0.961 316 D HN 0.262 nan 8.370 nan 0.000 0.460 317 L N -0.363 120.839 121.223 -0.035 0.000 2.056 317 L HA -0.115 4.224 4.340 -0.001 0.000 0.207 317 L C 2.285 178.971 176.870 -0.306 0.000 1.078 317 L CA 0.498 55.293 54.840 -0.075 0.000 0.749 317 L CB -0.266 41.822 42.059 0.049 0.000 0.901 317 L HN 0.179 nan 8.230 nan 0.000 0.433 318 L N -0.916 119.943 121.223 -0.606 0.000 2.027 318 L HA -0.127 4.213 4.340 -0.001 0.000 0.206 318 L C 2.313 178.480 176.870 -1.170 0.000 1.074 318 L CA 1.578 55.721 54.840 -1.162 0.000 0.745 318 L CB -0.335 40.723 42.059 -1.668 0.000 0.898 318 L HN -0.083 nan 8.230 nan 0.000 0.433 319 V N -0.013 119.333 119.914 -0.945 0.000 2.490 319 V HA -0.294 3.825 4.120 -0.001 0.000 0.250 319 V C 2.287 178.196 176.094 -0.308 0.000 1.061 319 V CA 1.877 63.766 62.300 -0.685 0.000 1.064 319 V CB -0.757 30.660 31.823 -0.677 0.000 0.670 319 V HN 0.594 nan 8.190 nan 0.000 0.461 320 D N -0.795 119.491 120.400 -0.190 0.000 2.117 320 D HA -0.201 4.438 4.640 -0.001 0.000 0.197 320 D C 2.231 178.492 176.300 -0.067 0.000 0.987 320 D CA 1.154 55.156 54.000 0.002 0.000 0.829 320 D CB 0.001 40.859 40.800 0.098 0.000 0.961 320 D HN 0.281 nan 8.370 nan 0.000 0.460 321 Q N -0.452 119.241 119.800 -0.179 0.000 2.050 321 Q HA -0.137 4.202 4.340 -0.001 0.000 0.202 321 Q C 2.161 178.164 176.000 0.006 0.000 0.980 321 Q CA 1.001 56.727 55.803 -0.129 0.000 0.840 321 Q CB -0.641 27.961 28.738 -0.227 0.000 0.898 321 Q HN 0.547 nan 8.270 nan 0.000 0.424 322 W N 1.493 122.677 121.300 -0.192 0.000 2.335 322 W HA -0.127 4.533 4.660 -0.001 0.000 0.311 322 W C 2.102 178.491 176.519 -0.217 0.000 1.213 322 W CA 0.831 58.062 57.345 -0.191 0.000 1.274 322 W CB -0.744 28.573 29.460 -0.237 0.000 1.148 322 W HN 0.226 nan 8.180 nan 0.000 0.498 323 K N 0.114 120.454 120.400 -0.100 0.000 2.148 323 K HA -0.141 4.178 4.320 -0.001 0.000 0.204 323 K C 1.962 178.377 176.600 -0.309 0.000 1.050 323 K CA 1.241 57.307 56.287 -0.369 0.000 0.942 323 K CB -0.212 31.758 32.500 -0.883 0.000 0.724 323 K HN 0.079 nan 8.250 nan 0.000 0.446 324 K N 0.908 121.210 120.400 -0.164 0.000 2.025 324 K HA -0.138 4.181 4.320 -0.001 0.000 0.207 324 K C 2.098 178.753 176.600 0.092 0.000 1.049 324 K CA 1.157 57.482 56.287 0.064 0.000 0.933 324 K CB 0.011 32.572 32.500 0.103 0.000 0.714 324 K HN 0.005 nan 8.250 nan 0.000 0.438 325 K N 0.802 121.263 120.400 0.102 0.000 2.097 325 K HA -0.113 4.206 4.320 -0.001 0.000 0.206 325 K C 2.012 178.727 176.600 0.190 0.000 1.049 325 K CA 1.213 57.590 56.287 0.151 0.000 0.933 325 K CB -0.079 32.531 32.500 0.184 0.000 0.717 325 K HN 0.131 nan 8.250 nan 0.000 0.442 326 A N 1.226 124.142 122.820 0.161 0.000 2.070 326 A HA -0.139 4.180 4.320 -0.001 0.000 0.220 326 A C 1.698 179.445 177.584 0.272 0.000 1.159 326 A CA 1.317 53.490 52.037 0.226 0.000 0.656 326 A CB -0.320 18.779 19.000 0.166 0.000 0.800 326 A HN 0.309 nan 8.150 nan 0.000 0.453 327 E N 0.023 120.358 120.200 0.225 0.000 2.265 327 E HA -0.091 4.258 4.350 -0.001 0.000 0.196 327 E C 1.593 178.315 176.600 0.203 0.000 0.996 327 E CA 0.664 57.207 56.400 0.239 0.000 0.832 327 E CB -0.234 29.634 29.700 0.280 0.000 0.756 327 E HN 0.726 nan 8.360 nan 0.000 0.491 328 L N -0.550 120.748 121.223 0.125 0.000 2.591 328 L HA 0.044 4.383 4.340 -0.001 0.000 0.228 328 L C 0.212 176.867 176.870 -0.359 0.000 1.133 328 L CA 0.248 55.030 54.840 -0.096 0.000 0.880 328 L CB -0.096 41.781 42.059 -0.304 0.000 1.033 328 L HN -0.005 nan 8.230 nan 0.000 0.450 329 Y N -1.579 118.803 120.300 0.135 0.000 2.633 329 Y HA 0.376 4.925 4.550 -0.001 0.000 0.339 329 Y C 1.147 177.158 175.900 0.186 0.000 1.045 329 Y CA -0.986 57.214 58.100 0.167 0.000 1.098 329 Y CB 1.179 39.750 38.460 0.185 0.000 1.296 329 Y HN -0.278 nan 8.280 nan 0.000 0.494 330 R N -0.503 120.233 120.500 0.392 0.000 2.254 330 R HA 0.079 4.418 4.340 -0.001 0.000 0.195 330 R C 0.323 176.750 176.300 0.211 0.000 0.957 330 R CA 0.794 57.037 56.100 0.238 0.000 1.024 330 R CB 0.176 30.552 30.300 0.127 0.000 0.952 330 R HN 0.753 nan 8.270 nan 0.000 0.484 331 T N -1.033 113.689 114.554 0.280 0.000 2.922 331 T HA 0.112 4.461 4.350 -0.001 0.000 0.281 331 T C 0.597 175.425 174.700 0.214 0.000 1.005 331 T CA -0.967 61.261 62.100 0.213 0.000 0.982 331 T CB 1.251 70.229 68.868 0.183 0.000 1.158 331 T HN 0.072 nan 8.240 nan 0.000 0.566 332 N N 0.068 118.861 118.700 0.156 0.000 2.327 332 N HA 0.137 4.876 4.740 -0.001 0.000 0.231 332 N C -0.720 174.799 175.510 0.014 0.000 1.130 332 N CA -0.357 52.753 53.050 0.100 0.000 0.845 332 N CB -0.107 38.315 38.487 -0.108 0.000 1.073 332 N HN 0.374 nan 8.380 nan 0.000 0.496 333 V N 1.336 121.283 119.914 0.055 0.000 2.409 333 V HA 0.414 4.534 4.120 -0.001 0.000 0.291 333 V C -0.641 175.547 176.094 0.156 0.000 1.020 333 V CA -0.958 61.376 62.300 0.056 0.000 0.848 333 V CB 1.542 33.369 31.823 0.006 0.000 0.990 333 V HN 0.180 nan 8.190 nan 0.000 0.430 334 L N 5.767 127.024 121.223 0.056 0.000 2.341 334 L HA 0.698 5.037 4.340 -0.001 0.000 0.278 334 L C -0.869 175.872 176.870 -0.215 0.000 1.005 334 L CA -0.483 54.307 54.840 -0.083 0.000 0.818 334 L CB 1.694 43.608 42.059 -0.243 0.000 1.259 334 L HN 0.631 nan 8.230 nan 0.000 0.418 335 L N 6.309 127.194 121.223 -0.564 0.000 2.264 335 L HA 0.569 4.908 4.340 -0.001 0.000 0.289 335 L C -1.064 175.516 176.870 -0.484 0.000 1.044 335 L CA 0.111 54.458 54.840 -0.821 0.000 0.807 335 L CB 0.820 41.893 42.059 -1.644 0.000 1.192 335 L HN 0.437 nan 8.230 nan 0.000 0.425 336 I N 7.358 127.725 120.570 -0.339 0.000 2.502 336 I HA 0.345 4.515 4.170 -0.001 0.000 0.276 336 I C -2.297 173.798 176.117 -0.037 0.000 1.057 336 I CA -1.990 59.201 61.300 -0.181 0.000 1.163 336 I CB 1.051 38.913 38.000 -0.229 0.000 1.288 336 I HN 0.430 nan 8.210 nan 0.000 0.479 337 P HA 0.168 nan 4.420 nan 0.000 0.269 337 P C -0.471 177.011 177.300 0.303 0.000 1.209 337 P CA -0.243 62.994 63.100 0.228 0.000 0.776 337 P CB 0.859 32.731 31.700 0.287 0.000 0.876 338 L N 2.896 124.338 121.223 0.366 0.000 2.454 338 L HA 0.761 5.100 4.340 -0.001 0.000 0.258 338 L C -0.122 176.823 176.870 0.125 0.000 1.025 338 L CA 0.393 55.370 54.840 0.228 0.000 0.901 338 L CB 0.452 42.577 42.059 0.111 0.000 1.210 338 L HN 0.611 nan 8.230 nan 0.000 0.457 339 G N 1.725 110.493 108.800 -0.054 0.000 2.342 339 G HA2 0.473 4.432 3.960 -0.001 0.000 0.297 339 G HA3 0.473 4.432 3.960 -0.001 0.000 0.297 339 G C -2.186 172.618 174.900 -0.160 0.000 1.313 339 G CA -0.227 44.604 45.100 -0.448 0.000 0.830 339 G HN 0.396 nan 8.290 nan 0.000 0.506 340 D N -1.773 118.592 120.400 -0.059 0.000 2.879 340 D HA 0.306 4.945 4.640 -0.001 0.000 0.346 340 D C -1.503 174.945 176.300 0.247 0.000 1.390 340 D CA -0.440 53.706 54.000 0.242 0.000 0.838 340 D CB 1.349 42.243 40.800 0.157 0.000 1.416 340 D HN 0.222 nan 8.370 nan 0.000 0.493 341 D N 0.385 120.993 120.400 0.347 0.000 2.417 341 D HA 0.213 4.852 4.640 -0.001 0.000 0.250 341 D C 0.176 176.647 176.300 0.286 0.000 1.166 341 D CA 0.482 54.671 54.000 0.316 0.000 0.881 341 D CB -0.282 40.812 40.800 0.489 0.000 1.164 341 D HN 0.331 nan 8.370 nan 0.000 0.467 342 F N 0.317 120.331 119.950 0.107 0.000 3.048 342 F HA -0.308 4.218 4.527 -0.001 0.000 0.269 342 F C 1.085 176.928 175.800 0.072 0.000 0.960 342 F CA 0.614 58.657 58.000 0.072 0.000 0.909 342 F CB -0.931 38.101 39.000 0.053 0.000 0.837 342 F HN 0.213 nan 8.300 nan 0.000 0.768 343 R N -0.459 120.131 120.500 0.150 0.000 2.583 343 R HA 0.494 4.833 4.340 -0.001 0.000 0.268 343 R C 0.626 176.952 176.300 0.043 0.000 1.101 343 R CA -0.829 55.245 56.100 -0.043 0.000 1.180 343 R CB -0.032 30.139 30.300 -0.214 0.000 1.128 343 R HN 0.195 nan 8.270 nan 0.000 0.568 344 F N -0.657 119.121 119.950 -0.286 0.000 3.040 344 F HA -0.276 4.251 4.527 -0.001 0.000 0.298 344 F C 1.289 177.024 175.800 -0.108 0.000 0.948 344 F CA 0.954 58.570 58.000 -0.640 0.000 1.022 344 F CB -1.070 37.259 39.000 -1.118 0.000 1.023 344 F HN 0.604 nan 8.300 nan 0.000 0.742 345 K N 0.033 120.470 120.400 0.062 0.000 2.107 345 K HA 0.078 4.398 4.320 -0.001 0.000 0.211 345 K C 0.640 177.385 176.600 0.241 0.000 1.024 345 K CA 0.487 56.897 56.287 0.205 0.000 0.953 345 K CB 0.154 32.742 32.500 0.146 0.000 0.831 345 K HN 0.267 nan 8.250 nan 0.000 0.454 346 Q N 1.692 121.590 119.800 0.163 0.000 2.361 346 Q HA 0.032 4.371 4.340 -0.001 0.000 0.276 346 Q C 0.643 176.819 176.000 0.294 0.000 1.022 346 Q CA 0.041 55.970 55.803 0.210 0.000 0.898 346 Q CB 0.693 29.597 28.738 0.277 0.000 1.246 346 Q HN 0.282 nan 8.270 nan 0.000 0.410 347 N N 0.783 119.652 118.700 0.282 0.000 2.149 347 N HA -0.159 4.580 4.740 -0.001 0.000 0.188 347 N C 1.489 177.139 175.510 0.234 0.000 1.019 347 N CA 1.907 55.152 53.050 0.324 0.000 0.857 347 N CB -0.305 38.382 38.487 0.334 0.000 0.997 347 N HN 0.785 nan 8.380 nan 0.000 0.426 348 T N -1.069 113.628 114.554 0.238 0.000 2.881 348 T HA -0.126 4.223 4.350 -0.001 0.000 0.270 348 T C 1.706 176.586 174.700 0.300 0.000 1.068 348 T CA 1.167 63.422 62.100 0.259 0.000 1.131 348 T CB -0.089 68.925 68.868 0.243 0.000 0.871 348 T HN 0.341 nan 8.240 nan 0.000 0.479 349 E N -0.263 120.061 120.200 0.206 0.000 2.072 349 E HA -0.087 4.262 4.350 -0.001 0.000 0.190 349 E C 1.838 178.330 176.600 -0.180 0.000 0.982 349 E CA 0.646 56.938 56.400 -0.180 0.000 0.803 349 E CB -0.262 29.160 29.700 -0.463 0.000 0.755 349 E HN 0.693 nan 8.360 nan 0.000 0.453 350 W N 1.882 123.074 121.300 -0.182 0.000 2.318 350 W HA -0.209 4.450 4.660 -0.001 0.000 0.313 350 W C 2.138 178.571 176.519 -0.143 0.000 1.221 350 W CA 1.408 58.623 57.345 -0.218 0.000 1.266 350 W CB -0.310 28.655 29.460 -0.825 0.000 1.150 350 W HN 0.197 nan 8.180 nan 0.000 0.496 351 D N -0.575 119.893 120.400 0.112 0.000 2.097 351 D HA -0.176 4.464 4.640 -0.001 0.000 0.195 351 D C 2.285 178.643 176.300 0.098 0.000 0.989 351 D CA 1.502 55.582 54.000 0.134 0.000 0.827 351 D CB -1.012 39.878 40.800 0.149 0.000 0.966 351 D HN 0.021 nan 8.370 nan 0.000 0.456 352 V N 0.945 120.913 119.914 0.089 0.000 2.407 352 V HA -0.218 3.902 4.120 -0.001 0.000 0.248 352 V C 2.242 178.357 176.094 0.034 0.000 1.055 352 V CA 1.606 63.944 62.300 0.062 0.000 1.049 352 V CB -0.070 31.841 31.823 0.148 0.000 0.662 352 V HN 0.163 nan 8.190 nan 0.000 0.455 353 Q N -0.458 119.401 119.800 0.099 0.000 2.062 353 Q HA -0.156 4.183 4.340 -0.001 0.000 0.196 353 Q C 2.343 178.535 176.000 0.319 0.000 0.967 353 Q CA 1.704 57.667 55.803 0.268 0.000 0.832 353 Q CB -0.449 28.424 28.738 0.225 0.000 0.899 353 Q HN 0.611 nan 8.270 nan 0.000 0.442 354 R N 0.540 121.183 120.500 0.239 0.000 2.080 354 R HA -0.116 4.224 4.340 -0.001 0.000 0.236 354 R C 2.235 178.681 176.300 0.243 0.000 1.137 354 R CA 1.477 57.749 56.100 0.288 0.000 0.943 354 R CB -0.116 30.302 30.300 0.197 0.000 0.846 354 R HN 0.057 nan 8.270 nan 0.000 0.431 355 V N 1.982 121.956 119.914 0.099 0.000 2.343 355 V HA -0.246 3.874 4.120 -0.001 0.000 0.247 355 V C 2.029 178.053 176.094 -0.118 0.000 1.051 355 V CA 1.915 64.224 62.300 0.015 0.000 1.036 355 V CB -0.634 31.184 31.823 -0.008 0.000 0.654 355 V HN 0.444 nan 8.190 nan 0.000 0.451 356 N N -0.675 117.843 118.700 -0.305 0.000 2.142 356 N HA -0.166 4.574 4.740 -0.001 0.000 0.186 356 N C 1.867 177.068 175.510 -0.514 0.000 1.023 356 N CA 1.655 54.317 53.050 -0.646 0.000 0.852 356 N CB -0.319 37.165 38.487 -1.672 0.000 0.998 356 N HN 0.520 nan 8.380 nan 0.000 0.424 357 Y N 1.931 122.050 120.300 -0.302 0.000 2.242 357 Y HA -0.059 4.490 4.550 -0.001 0.000 0.291 357 Y C 2.372 177.764 175.900 -0.847 0.000 1.137 357 Y CA 0.954 58.747 58.100 -0.511 0.000 1.181 357 Y CB -0.089 38.165 38.460 -0.344 0.000 0.989 357 Y HN 0.128 nan 8.280 nan 0.000 0.527 358 E N -0.204 119.863 120.200 -0.222 0.000 2.118 358 E HA -0.232 4.117 4.350 -0.001 0.000 0.195 358 E C 2.199 178.748 176.600 -0.085 0.000 0.992 358 E CA 1.084 57.435 56.400 -0.082 0.000 0.804 358 E CB -0.116 29.653 29.700 0.114 0.000 0.741 358 E HN 0.476 nan 8.360 nan 0.000 0.458 359 R N 0.268 120.694 120.500 -0.124 0.000 2.092 359 R HA -0.077 4.263 4.340 -0.001 0.000 0.231 359 R C 2.462 178.727 176.300 -0.058 0.000 1.119 359 R CA 0.798 56.855 56.100 -0.073 0.000 0.970 359 R CB -0.225 30.013 30.300 -0.103 0.000 0.864 359 R HN 0.155 nan 8.270 nan 0.000 0.440 360 L N -0.352 120.767 121.223 -0.173 0.000 2.017 360 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 360 L C 2.116 179.026 176.870 0.065 0.000 1.073 360 L CA 1.155 55.930 54.840 -0.109 0.000 0.745 360 L CB -0.415 41.493 42.059 -0.252 0.000 0.894 360 L HN 0.076 nan 8.230 nan 0.000 0.432 361 F N 0.287 120.249 119.950 0.021 0.000 2.134 361 F HA -0.222 4.304 4.527 -0.001 0.000 0.299 361 F C 2.648 178.452 175.800 0.006 0.000 1.097 361 F CA 1.349 59.346 58.000 -0.004 0.000 1.264 361 F CB -1.006 37.949 39.000 -0.076 0.000 1.001 361 F HN 0.210 nan 8.300 nan 0.000 0.479 362 E N -0.733 119.593 120.200 0.210 0.000 2.077 362 E HA -0.292 4.057 4.350 -0.001 0.000 0.193 362 E C 2.210 178.893 176.600 0.139 0.000 0.989 362 E CA 1.516 58.002 56.400 0.143 0.000 0.800 362 E CB -0.242 29.526 29.700 0.113 0.000 0.746 362 E HN 0.504 nan 8.360 nan 0.000 0.452 363 H N 0.189 119.304 119.070 0.074 0.000 2.299 363 H HA -0.036 4.520 4.556 -0.001 0.000 0.302 363 H C 2.043 177.452 175.328 0.134 0.000 1.078 363 H CA 2.087 58.190 56.048 0.092 0.000 1.323 363 H CB -0.158 29.654 29.762 0.084 0.000 1.381 363 H HN 0.148 nan 8.280 nan 0.000 0.498 364 I N 0.417 121.048 120.570 0.102 0.000 2.226 364 I HA -0.279 3.890 4.170 -0.001 0.000 0.245 364 I C 1.583 177.717 176.117 0.028 0.000 1.100 364 I CA 1.315 62.620 61.300 0.009 0.000 1.374 364 I CB -0.264 37.669 38.000 -0.111 0.000 1.057 364 I HN 0.350 nan 8.210 nan 0.000 0.413 365 N N 0.213 118.925 118.700 0.020 0.000 2.459 365 N HA -0.101 4.638 4.740 -0.001 0.000 0.181 365 N C 1.799 177.292 175.510 -0.028 0.000 1.046 365 N CA 1.385 54.425 53.050 -0.017 0.000 0.904 365 N CB -0.201 38.270 38.487 -0.027 0.000 0.964 365 N HN 0.400 nan 8.380 nan 0.000 0.444 366 S N -1.070 114.607 115.700 -0.039 0.000 2.535 366 S HA 0.147 4.616 4.470 -0.001 0.000 0.214 366 S C 0.549 175.093 174.600 -0.092 0.000 0.980 366 S CA -0.206 57.962 58.200 -0.054 0.000 0.907 366 S CB 0.297 63.476 63.200 -0.034 0.000 0.790 366 S HN -0.052 nan 8.310 nan 0.000 0.510 367 Q N 1.511 121.229 119.800 -0.136 0.000 2.503 367 Q HA 0.540 4.879 4.340 -0.001 0.000 0.227 367 Q C 1.044 176.913 176.000 -0.218 0.000 1.109 367 Q CA 0.127 55.803 55.803 -0.211 0.000 0.922 367 Q CB 0.976 29.479 28.738 -0.391 0.000 1.249 367 Q HN 0.467 nan 8.270 nan 0.000 0.530 368 A N 2.461 125.211 122.820 -0.117 0.000 1.997 368 A HA -0.288 4.031 4.320 -0.001 0.000 0.221 368 A C 1.654 179.181 177.584 -0.095 0.000 1.172 368 A CA 2.286 54.275 52.037 -0.080 0.000 0.645 368 A CB -0.764 18.215 19.000 -0.037 0.000 0.813 368 A HN 0.891 nan 8.150 nan 0.000 0.454 369 H N -3.206 115.789 119.070 -0.125 0.000 2.489 369 H HA -0.071 4.484 4.556 -0.001 0.000 0.295 369 H C 1.316 176.584 175.328 -0.099 0.000 1.082 369 H CA 1.673 57.631 56.048 -0.150 0.000 1.295 369 H CB -0.560 29.063 29.762 -0.231 0.000 1.380 369 H HN 0.435 nan 8.280 nan 0.000 0.548 370 F N 0.711 120.355 119.950 -0.510 0.000 2.416 370 F HA 0.080 4.606 4.527 -0.001 0.000 0.296 370 F C 0.753 176.483 175.800 -0.118 0.000 1.099 370 F CA 0.481 58.314 58.000 -0.278 0.000 1.427 370 F CB -0.200 38.609 39.000 -0.319 0.000 1.079 370 F HN 0.151 nan 8.300 nan 0.000 0.536 371 N N 0.780 119.524 118.700 0.073 0.000 2.725 371 N HA -0.164 4.575 4.740 -0.001 0.000 0.251 371 N C -1.037 174.451 175.510 -0.036 0.000 1.031 371 N CA 0.448 53.523 53.050 0.041 0.000 0.720 371 N CB -1.471 37.092 38.487 0.127 0.000 0.930 371 N HN 0.028 nan 8.380 nan 0.000 0.543 372 V N 0.583 120.468 119.914 -0.049 0.000 2.789 372 V HA 0.427 4.547 4.120 -0.001 0.000 0.311 372 V C 0.085 176.096 176.094 -0.137 0.000 1.073 372 V CA -0.680 61.542 62.300 -0.129 0.000 0.921 372 V CB 2.503 34.267 31.823 -0.098 0.000 1.009 372 V HN 0.199 nan 8.190 nan 0.000 0.426 373 Q N 3.015 122.682 119.800 -0.221 0.000 2.347 373 Q HA 0.758 5.097 4.340 -0.001 0.000 0.265 373 Q C -0.859 174.891 176.000 -0.416 0.000 1.024 373 Q CA -0.134 55.514 55.803 -0.258 0.000 0.731 373 Q CB 1.591 30.183 28.738 -0.243 0.000 1.245 373 Q HN 1.011 nan 8.270 nan 0.000 0.472 374 A N 4.219 126.775 122.820 -0.441 0.000 2.350 374 A HA 0.928 5.247 4.320 -0.001 0.000 0.324 374 A C -1.159 175.739 177.584 -1.143 0.000 1.118 374 A CA -0.489 51.113 52.037 -0.724 0.000 0.783 374 A CB 1.234 19.976 19.000 -0.429 0.000 1.236 374 A HN 0.771 nan 8.150 nan 0.000 0.457 375 Q N 0.954 119.971 119.800 -1.305 0.000 2.633 375 Q HA 0.447 4.786 4.340 -0.001 0.000 0.289 375 Q C -1.693 173.846 176.000 -0.769 0.000 0.940 375 Q CA -0.696 54.358 55.803 -1.248 0.000 0.785 375 Q CB 0.506 28.905 28.738 -0.566 0.000 1.467 375 Q HN 0.385 nan 8.270 nan 0.000 0.401 376 F N 0.480 120.320 119.950 -0.183 0.000 2.506 376 F HA 0.644 5.171 4.527 -0.001 0.000 0.351 376 F C 1.228 177.063 175.800 0.058 0.000 1.136 376 F CA 1.446 59.476 58.000 0.050 0.000 1.298 376 F CB 1.015 40.104 39.000 0.149 0.000 1.145 376 F HN 0.757 nan 8.300 nan 0.000 0.593 377 G N 0.207 109.179 108.800 0.287 0.000 2.687 377 G HA2 0.602 4.561 3.960 -0.001 0.000 0.291 377 G HA3 0.602 4.561 3.960 -0.001 0.000 0.291 377 G C -1.124 173.780 174.900 0.007 0.000 1.420 377 G CA -0.611 44.603 45.100 0.190 0.000 0.796 377 G HN 0.715 nan 8.290 nan 0.000 0.485 378 T N -1.915 112.566 114.554 -0.122 0.000 2.938 378 T HA 0.484 4.833 4.350 -0.001 0.000 0.285 378 T C 1.247 175.793 174.700 -0.256 0.000 1.028 378 T CA -0.461 61.528 62.100 -0.185 0.000 1.005 378 T CB 1.553 70.324 68.868 -0.162 0.000 1.157 378 T HN 0.594 nan 8.240 nan 0.000 0.550 379 L N 0.535 121.603 121.223 -0.257 0.000 2.056 379 L HA 0.043 4.382 4.340 -0.001 0.000 0.207 379 L C 2.755 179.576 176.870 -0.080 0.000 1.078 379 L CA 1.976 56.688 54.840 -0.213 0.000 0.749 379 L CB -1.165 40.801 42.059 -0.154 0.000 0.901 379 L HN 0.899 nan 8.230 nan 0.000 0.433 380 Q N -0.062 119.721 119.800 -0.029 0.000 2.124 380 Q HA -0.223 4.116 4.340 -0.001 0.000 0.202 380 Q C 2.082 178.016 176.000 -0.109 0.000 0.977 380 Q CA 1.985 57.807 55.803 0.032 0.000 0.850 380 Q CB -0.181 28.549 28.738 -0.014 0.000 0.901 380 Q HN 0.632 nan 8.270 nan 0.000 0.429 381 E N -1.160 118.883 120.200 -0.262 0.000 2.077 381 E HA -0.226 4.124 4.350 -0.001 0.000 0.193 381 E C 1.710 177.863 176.600 -0.746 0.000 0.989 381 E CA 1.192 57.310 56.400 -0.470 0.000 0.800 381 E CB -0.321 29.023 29.700 -0.593 0.000 0.746 381 E HN 0.476 nan 8.360 nan 0.000 0.452 382 Y N 0.674 120.432 120.300 -0.904 0.000 2.097 382 Y HA -0.287 4.263 4.550 -0.001 0.000 0.282 382 Y C 1.910 177.503 175.900 -0.513 0.000 1.152 382 Y CA 1.669 59.265 58.100 -0.840 0.000 1.136 382 Y CB -0.530 37.468 38.460 -0.769 0.000 0.975 382 Y HN -0.051 nan 8.280 nan 0.000 0.498 383 F N 0.930 120.620 119.950 -0.432 0.000 2.171 383 F HA -0.192 4.334 4.527 -0.001 0.000 0.300 383 F C 2.261 177.834 175.800 -0.379 0.000 1.090 383 F CA 1.771 59.498 58.000 -0.454 0.000 1.293 383 F CB -0.862 38.066 39.000 -0.121 0.000 1.013 383 F HN 0.113 nan 8.300 nan 0.000 0.486 384 D N -0.020 120.328 120.400 -0.087 0.000 2.117 384 D HA -0.154 4.485 4.640 -0.001 0.000 0.197 384 D C 2.351 178.570 176.300 -0.136 0.000 0.987 384 D CA 1.492 55.447 54.000 -0.076 0.000 0.829 384 D CB -0.574 40.170 40.800 -0.094 0.000 0.961 384 D HN 0.251 nan 8.370 nan 0.000 0.460 385 A N 0.470 123.148 122.820 -0.237 0.000 1.929 385 A HA -0.080 4.239 4.320 -0.001 0.000 0.216 385 A C 2.519 179.976 177.584 -0.211 0.000 1.176 385 A CA 0.827 52.770 52.037 -0.157 0.000 0.628 385 A CB -0.611 18.366 19.000 -0.037 0.000 0.816 385 A HN 0.128 nan 8.150 nan 0.000 0.444 386 V N -0.023 119.628 119.914 -0.440 0.000 2.332 386 V HA -0.259 3.861 4.120 -0.001 0.000 0.248 386 V C 2.401 178.300 176.094 -0.325 0.000 1.055 386 V CA 2.116 64.154 62.300 -0.437 0.000 1.038 386 V CB -1.017 30.358 31.823 -0.747 0.000 0.651 386 V HN 0.651 nan 8.190 nan 0.000 0.450 387 H N -0.326 118.626 119.070 -0.197 0.000 2.462 387 H HA -0.073 4.483 4.556 -0.001 0.000 0.292 387 H C 2.395 177.686 175.328 -0.062 0.000 1.049 387 H CA 1.284 57.249 56.048 -0.139 0.000 1.334 387 H CB -0.027 29.611 29.762 -0.206 0.000 1.404 387 H HN 0.558 nan 8.280 nan 0.000 0.544 388 Q N 0.187 119.999 119.800 0.020 0.000 2.119 388 Q HA -0.026 4.314 4.340 -0.001 0.000 0.201 388 Q C 2.537 178.552 176.000 0.025 0.000 0.972 388 Q CA 1.115 56.928 55.803 0.018 0.000 0.847 388 Q CB 0.066 28.803 28.738 -0.002 0.000 0.903 388 Q HN 0.394 nan 8.270 nan 0.000 0.433 389 A N 1.121 123.951 122.820 0.016 0.000 1.898 389 A HA -0.253 4.067 4.320 -0.001 0.000 0.216 389 A C 1.936 179.549 177.584 0.048 0.000 1.181 389 A CA 1.580 53.639 52.037 0.037 0.000 0.620 389 A CB -0.514 18.511 19.000 0.042 0.000 0.819 389 A HN 0.439 nan 8.150 nan 0.000 0.442 390 E N -0.164 120.082 120.200 0.077 0.000 2.051 390 E HA -0.218 4.132 4.350 -0.001 0.000 0.192 390 E C 2.206 178.844 176.600 0.063 0.000 0.991 390 E CA 1.130 57.585 56.400 0.090 0.000 0.799 390 E CB -0.141 29.723 29.700 0.273 0.000 0.748 390 E HN 0.580 nan 8.360 nan 0.000 0.449 391 R N -0.218 120.323 120.500 0.067 0.000 2.148 391 R HA -0.027 4.312 4.340 -0.001 0.000 0.227 391 R C 2.099 178.416 176.300 0.029 0.000 1.103 391 R CA 0.824 56.950 56.100 0.044 0.000 0.983 391 R CB -0.131 30.191 30.300 0.036 0.000 0.874 391 R HN 0.129 nan 8.270 nan 0.000 0.451 392 A N 0.346 123.185 122.820 0.031 0.000 2.235 392 A HA 0.167 4.486 4.320 -0.001 0.000 0.208 392 A C 1.364 178.961 177.584 0.021 0.000 1.172 392 A CA 0.776 52.829 52.037 0.027 0.000 0.786 392 A CB -0.257 18.765 19.000 0.036 0.000 0.804 392 A HN 0.451 nan 8.150 nan 0.000 0.479 393 G N -0.324 108.485 108.800 0.014 0.000 2.143 393 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.248 393 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.248 393 G C 0.741 175.636 174.900 -0.010 0.000 0.991 393 G CA 0.735 45.835 45.100 -0.000 0.000 0.689 393 G HN 1.006 nan 8.290 nan 0.000 0.522 394 Q N -0.789 119.012 119.800 0.001 0.000 2.425 394 Q HA 0.649 4.989 4.340 -0.001 0.000 0.204 394 Q C 0.845 176.821 176.000 -0.040 0.000 0.933 394 Q CA 1.159 56.965 55.803 0.006 0.000 0.939 394 Q CB 0.384 29.164 28.738 0.069 0.000 1.044 394 Q HN 1.674 nan 8.270 nan 0.000 0.513 395 A N 1.186 123.938 122.820 -0.114 0.000 2.594 395 A HA 0.496 4.816 4.320 -0.001 0.000 0.296 395 A C -1.735 175.610 177.584 -0.398 0.000 1.061 395 A CA -0.933 50.942 52.037 -0.271 0.000 0.689 395 A CB 1.279 20.053 19.000 -0.376 0.000 1.280 395 A HN 0.378 nan 8.150 nan 0.000 0.406 396 E N 0.896 120.848 120.200 -0.413 0.000 2.266 396 E HA 0.760 5.109 4.350 -0.001 0.000 0.268 396 E C -1.721 174.654 176.600 -0.375 0.000 0.879 396 E CA -0.583 55.639 56.400 -0.296 0.000 0.762 396 E CB 1.740 31.384 29.700 -0.092 0.000 1.199 396 E HN 0.329 nan 8.360 nan 0.000 0.422 397 F N 1.882 121.936 119.950 0.174 0.000 2.458 397 F HA 0.421 4.948 4.527 -0.000 0.000 0.330 397 F C -1.856 174.044 175.800 0.165 0.000 1.082 397 F CA -2.339 55.786 58.000 0.208 0.000 0.995 397 F CB 1.204 40.408 39.000 0.339 0.000 1.170 397 F HN 0.355 nan 8.300 nan 0.000 0.478 398 P HA 0.188 nan 4.420 nan 0.000 0.274 398 P C -0.687 176.752 177.300 0.232 0.000 1.237 398 P CA -0.366 62.861 63.100 0.213 0.000 0.793 398 P CB 0.980 32.774 31.700 0.155 0.000 0.977 399 T N -0.499 114.143 114.554 0.148 0.000 2.907 399 T HA 0.683 5.033 4.350 -0.001 0.000 0.284 399 T C -0.283 174.448 174.700 0.052 0.000 1.004 399 T CA -0.807 61.374 62.100 0.135 0.000 1.063 399 T CB 1.089 70.013 68.868 0.094 0.000 0.992 399 T HN 0.467 nan 8.240 nan 0.000 0.483 400 L N 1.786 123.040 121.223 0.051 0.000 2.472 400 L HA 0.724 5.063 4.340 -0.001 0.000 0.260 400 L C -0.760 176.104 176.870 -0.010 0.000 0.963 400 L CA -0.423 54.341 54.840 -0.127 0.000 0.829 400 L CB 2.187 43.923 42.059 -0.539 0.000 1.348 400 L HN 1.112 nan 8.230 nan 0.000 0.408 401 S N 2.415 118.062 115.700 -0.088 0.000 2.595 401 S HA 1.061 5.530 4.470 -0.001 0.000 0.281 401 S C -0.352 174.178 174.600 -0.118 0.000 1.117 401 S CA -0.040 58.168 58.200 0.014 0.000 0.873 401 S CB 2.063 65.232 63.200 -0.052 0.000 1.108 401 S HN 1.671 nan 8.310 nan 0.000 0.477 402 G N 0.995 109.781 108.800 -0.024 0.000 2.331 402 G HA2 0.334 4.294 3.960 -0.001 0.000 0.402 402 G HA3 0.334 4.294 3.960 -0.001 0.000 0.402 402 G C -1.841 172.960 174.900 -0.165 0.000 1.275 402 G CA -0.011 44.974 45.100 -0.192 0.000 1.003 402 G HN 1.278 nan 8.290 nan 0.000 0.500 403 D N -1.775 118.393 120.400 -0.386 0.000 2.687 403 D HA 0.754 5.394 4.640 -0.001 0.000 0.264 403 D C -0.690 175.103 176.300 -0.846 0.000 1.091 403 D CA -1.052 52.740 54.000 -0.346 0.000 1.123 403 D CB 1.087 41.861 40.800 -0.042 0.000 1.407 403 D HN 0.384 nan 8.370 nan 0.000 0.591 404 F N -0.424 119.409 119.950 -0.194 0.000 2.679 404 F HA 0.406 4.932 4.527 -0.001 0.000 0.354 404 F C -0.987 174.664 175.800 -0.249 0.000 1.423 404 F CA -0.625 57.264 58.000 -0.186 0.000 1.141 404 F CB 0.203 39.122 39.000 -0.135 0.000 1.168 404 F HN 0.002 nan 8.300 nan 0.000 0.530 405 F N -0.671 119.464 119.950 0.308 0.000 2.563 405 F HA 0.567 5.093 4.527 -0.001 0.000 0.316 405 F C 0.489 176.549 175.800 0.433 0.000 1.076 405 F CA -1.399 56.850 58.000 0.415 0.000 0.921 405 F CB 1.810 41.044 39.000 0.388 0.000 1.209 405 F HN -0.277 nan 8.300 nan 0.000 0.462 406 T N 2.065 117.003 114.554 0.639 0.000 2.799 406 T HA 0.189 4.538 4.350 -0.001 0.000 0.286 406 T C -0.998 174.172 174.700 0.785 0.000 0.973 406 T CA -0.242 62.300 62.100 0.737 0.000 1.035 406 T CB 0.222 69.384 68.868 0.491 0.000 0.932 406 T HN 0.382 nan 8.240 nan 0.000 0.469 407 Y N 3.023 123.658 120.300 0.558 0.000 2.511 407 Y HA 0.435 4.984 4.550 -0.001 0.000 0.332 407 Y C -0.176 175.776 175.900 0.087 0.000 1.177 407 Y CA -1.018 57.243 58.100 0.268 0.000 1.422 407 Y CB 0.167 38.664 38.460 0.062 0.000 1.271 407 Y HN 0.680 nan 8.280 nan 0.000 0.550 408 A N 5.190 127.549 122.820 -0.768 0.000 2.374 408 A HA 0.352 4.671 4.320 -0.001 0.000 0.305 408 A C -0.116 176.843 177.584 -1.042 0.000 1.053 408 A CA -0.272 51.168 52.037 -0.994 0.000 0.726 408 A CB 0.704 18.830 19.000 -1.456 0.000 1.229 408 A HN 0.813 nan 8.150 nan 0.000 0.431 409 D N 1.589 121.536 120.400 -0.754 0.000 2.346 409 D HA 0.052 4.691 4.640 -0.001 0.000 0.206 409 D C 0.515 176.837 176.300 0.036 0.000 1.001 409 D CA 0.528 54.335 54.000 -0.321 0.000 0.871 409 D CB 0.172 40.896 40.800 -0.126 0.000 0.943 409 D HN 0.733 nan 8.370 nan 0.000 0.518 410 R N -2.313 118.148 120.500 -0.065 0.000 2.687 410 R HA 0.378 4.718 4.340 -0.001 0.000 0.265 410 R C -0.084 176.102 176.300 -0.189 0.000 1.048 410 R CA -0.166 55.744 56.100 -0.317 0.000 0.884 410 R CB 0.692 30.892 30.300 -0.166 0.000 1.258 410 R HN -0.136 nan 8.270 nan 0.000 0.469 411 S N 0.372 115.908 115.700 -0.275 0.000 4.108 411 S HA -0.319 4.150 4.470 -0.001 0.000 0.550 411 S C 0.535 175.214 174.600 0.132 0.000 1.916 411 S CA 2.191 60.382 58.200 -0.016 0.000 4.207 411 S CB -0.967 62.208 63.200 -0.042 0.000 0.522 411 S HN 1.071 nan 8.310 nan 0.000 0.534 412 D N 1.334 121.796 120.400 0.102 0.000 2.463 412 D HA 0.211 4.851 4.640 -0.001 0.000 0.224 412 D C -0.101 176.297 176.300 0.164 0.000 1.174 412 D CA -0.164 53.966 54.000 0.216 0.000 0.829 412 D CB -1.441 39.465 40.800 0.177 0.000 0.993 412 D HN 0.516 nan 8.370 nan 0.000 0.497 413 N N 0.951 119.650 118.700 -0.002 0.000 2.807 413 N HA 0.058 4.798 4.740 -0.001 0.000 0.259 413 N C -0.934 174.580 175.510 0.006 0.000 1.149 413 N CA -0.318 52.731 53.050 -0.002 0.000 1.042 413 N CB 0.168 38.639 38.487 -0.027 0.000 1.367 413 N HN 0.135 nan 8.380 nan 0.000 0.516 414 Y N 0.199 120.576 120.300 0.128 0.000 2.316 414 Y HA 0.119 4.668 4.550 -0.001 0.000 0.331 414 Y C 0.097 176.188 175.900 0.318 0.000 1.083 414 Y CA -0.664 57.579 58.100 0.238 0.000 1.206 414 Y CB 0.588 39.137 38.460 0.149 0.000 1.195 414 Y HN 0.397 nan 8.280 nan 0.000 0.497 415 W N 2.383 123.813 121.300 0.218 0.000 1.809 415 W HA 0.226 4.885 4.660 -0.001 0.000 0.399 415 W C 0.848 177.398 176.519 0.051 0.000 0.636 415 W CA -0.543 56.962 57.345 0.266 0.000 2.178 415 W CB -0.470 29.271 29.460 0.468 0.000 1.632 415 W HN 0.549 nan 8.180 nan 0.000 0.470 416 S N -2.101 113.615 115.700 0.027 0.000 2.556 416 S HA 0.128 4.597 4.470 -0.001 0.000 0.216 416 S C 1.944 176.249 174.600 -0.491 0.000 0.970 416 S CA 0.328 58.148 58.200 -0.632 0.000 0.912 416 S CB 0.169 63.340 63.200 -0.049 0.000 0.790 416 S HN 0.339 nan 8.310 nan 0.000 0.504 417 G N 1.959 110.684 108.800 -0.124 0.000 2.408 417 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.217 417 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.217 417 G C 1.238 176.113 174.900 -0.041 0.000 1.150 417 G CA 0.874 45.916 45.100 -0.097 0.000 0.776 417 G HN 0.800 nan 8.290 nan 0.000 0.542 418 Y N -0.578 119.694 120.300 -0.047 0.000 2.632 418 Y HA 0.182 4.732 4.550 -0.001 0.000 0.301 418 Y C 1.755 177.789 175.900 0.223 0.000 1.172 418 Y CA -0.460 57.694 58.100 0.091 0.000 1.328 418 Y CB -0.345 38.247 38.460 0.220 0.000 1.016 418 Y HN 0.171 nan 8.280 nan 0.000 0.529 419 Y N 0.541 120.620 120.300 -0.368 0.000 2.497 419 Y HA -0.011 4.538 4.550 -0.001 0.000 0.292 419 Y C 1.711 177.559 175.900 -0.086 0.000 1.137 419 Y CA 0.608 58.525 58.100 -0.306 0.000 1.285 419 Y CB -0.666 37.650 38.460 -0.240 0.000 0.991 419 Y HN 0.300 nan 8.280 nan 0.000 0.556 420 T N -2.654 111.970 114.554 0.117 0.000 2.980 420 T HA 0.079 4.429 4.350 -0.001 0.000 0.252 420 T C 0.711 175.500 174.700 0.147 0.000 0.962 420 T CA -0.066 62.103 62.100 0.115 0.000 0.932 420 T CB 0.020 68.924 68.868 0.060 0.000 1.188 420 T HN -0.064 nan 8.240 nan 0.000 0.500 421 S N 2.507 118.292 115.700 0.141 0.000 2.573 421 S HA 0.179 4.649 4.470 -0.001 0.000 0.297 421 S C 0.419 175.157 174.600 0.230 0.000 1.280 421 S CA 0.007 58.303 58.200 0.160 0.000 1.061 421 S CB 0.076 63.355 63.200 0.133 0.000 0.812 421 S HN 0.404 nan 8.310 nan 0.000 0.500 422 R N 1.026 121.677 120.500 0.253 0.000 3.205 422 R HA -0.123 4.217 4.340 -0.001 0.000 0.249 422 R C -1.920 174.626 176.300 0.410 0.000 0.937 422 R CA 0.697 57.022 56.100 0.375 0.000 0.641 422 R CB -1.788 28.776 30.300 0.439 0.000 1.114 422 R HN 0.517 nan 8.270 nan 0.000 0.451 423 P HA -0.236 nan 4.420 nan 0.000 0.222 423 P C 1.124 178.625 177.300 0.334 0.000 1.147 423 P CA 1.043 64.357 63.100 0.357 0.000 0.790 423 P CB -0.026 31.930 31.700 0.426 0.000 0.780 424 Y N 1.489 121.861 120.300 0.119 0.000 2.165 424 Y HA -0.241 4.308 4.550 -0.001 0.000 0.286 424 Y C 2.612 178.471 175.900 -0.069 0.000 1.155 424 Y CA 1.906 59.993 58.100 -0.022 0.000 1.164 424 Y CB -0.774 37.545 38.460 -0.234 0.000 0.978 424 Y HN 0.072 nan 8.280 nan 0.000 0.513 425 H N -0.531 118.794 119.070 0.425 0.000 2.470 425 H HA -0.015 4.540 4.556 -0.001 0.000 0.289 425 H C 1.996 177.477 175.328 0.254 0.000 1.033 425 H CA 1.168 57.378 56.048 0.270 0.000 1.331 425 H CB -0.006 29.972 29.762 0.359 0.000 1.414 425 H HN 0.390 nan 8.280 nan 0.000 0.545 426 K N 0.735 121.356 120.400 0.369 0.000 2.057 426 K HA -0.154 4.165 4.320 -0.001 0.000 0.207 426 K C 2.419 179.085 176.600 0.111 0.000 1.049 426 K CA 1.099 57.547 56.287 0.270 0.000 0.931 426 K CB 0.120 32.754 32.500 0.223 0.000 0.714 426 K HN -0.023 nan 8.250 nan 0.000 0.440 427 R N 1.367 121.904 120.500 0.061 0.000 2.075 427 R HA -0.001 4.338 4.340 -0.001 0.000 0.232 427 R C 2.040 178.131 176.300 -0.349 0.000 1.126 427 R CA 1.425 57.500 56.100 -0.043 0.000 0.963 427 R CB -0.428 29.934 30.300 0.104 0.000 0.858 427 R HN 0.166 nan 8.270 nan 0.000 0.435 428 M N 0.272 119.529 119.600 -0.572 0.000 2.149 428 M HA -0.200 4.279 4.480 -0.001 0.000 0.261 428 M C 1.433 177.422 176.300 -0.519 0.000 1.064 428 M CA 2.410 57.114 55.300 -0.995 0.000 1.102 428 M CB -0.323 31.856 32.600 -0.701 0.000 1.369 428 M HN 0.275 nan 8.290 nan 0.000 0.408 429 D N -0.253 120.030 120.400 -0.195 0.000 2.133 429 D HA -0.220 4.419 4.640 -0.001 0.000 0.195 429 D C 1.887 178.122 176.300 -0.108 0.000 0.997 429 D CA 1.456 55.443 54.000 -0.023 0.000 0.840 429 D CB 0.120 41.050 40.800 0.217 0.000 0.947 429 D HN 0.219 nan 8.370 nan 0.000 0.452 430 R N 0.010 120.424 120.500 -0.144 0.000 2.090 430 R HA 0.005 4.345 4.340 -0.001 0.000 0.228 430 R C 2.436 178.613 176.300 -0.205 0.000 1.110 430 R CA 0.412 56.420 56.100 -0.153 0.000 0.973 430 R CB -0.945 29.282 30.300 -0.122 0.000 0.869 430 R HN 0.256 nan 8.270 nan 0.000 0.440 431 V N 1.524 121.252 119.914 -0.310 0.000 2.295 431 V HA -0.216 3.903 4.120 -0.001 0.000 0.246 431 V C 2.346 178.355 176.094 -0.142 0.000 1.049 431 V CA 1.532 63.654 62.300 -0.296 0.000 1.024 431 V CB -0.555 30.897 31.823 -0.618 0.000 0.648 431 V HN 0.139 nan 8.190 nan 0.000 0.447 432 L N -0.446 120.663 121.223 -0.190 0.000 2.141 432 L HA -0.119 4.220 4.340 -0.001 0.000 0.209 432 L C 2.282 179.106 176.870 -0.077 0.000 1.094 432 L CA 1.927 56.720 54.840 -0.079 0.000 0.763 432 L CB -0.672 41.310 42.059 -0.128 0.000 0.908 432 L HN 0.328 nan 8.230 nan 0.000 0.437 433 M N -1.388 118.140 119.600 -0.120 0.000 2.082 433 M HA -0.309 4.170 4.480 -0.001 0.000 0.258 433 M C 2.427 178.627 176.300 -0.166 0.000 1.069 433 M CA 2.276 57.487 55.300 -0.149 0.000 1.102 433 M CB -0.621 31.860 32.600 -0.199 0.000 1.336 433 M HN 0.523 nan 8.290 nan 0.000 0.404 434 H N -0.885 118.033 119.070 -0.253 0.000 2.395 434 H HA -0.162 4.393 4.556 -0.001 0.000 0.299 434 H C 1.643 176.816 175.328 -0.258 0.000 1.070 434 H CA 1.989 57.859 56.048 -0.296 0.000 1.356 434 H CB -0.201 29.311 29.762 -0.416 0.000 1.401 434 H HN 0.471 nan 8.280 nan 0.000 0.524 435 Y N 0.336 120.489 120.300 -0.245 0.000 2.224 435 Y HA -0.165 4.384 4.550 -0.001 0.000 0.289 435 Y C 2.950 178.723 175.900 -0.211 0.000 1.146 435 Y CA 1.086 59.049 58.100 -0.229 0.000 1.182 435 Y CB -0.508 37.881 38.460 -0.119 0.000 0.983 435 Y HN 0.012 nan 8.280 nan 0.000 0.524 436 V N 0.192 120.073 119.914 -0.055 0.000 2.307 436 V HA -0.300 3.819 4.120 -0.001 0.000 0.245 436 V C 2.526 178.554 176.094 -0.111 0.000 1.045 436 V CA 2.153 64.407 62.300 -0.076 0.000 1.024 436 V CB -0.578 31.193 31.823 -0.087 0.000 0.651 436 V HN 0.323 nan 8.190 nan 0.000 0.449 437 R N 0.459 120.859 120.500 -0.167 0.000 2.083 437 R HA -0.190 4.150 4.340 -0.001 0.000 0.237 437 R C 2.248 178.483 176.300 -0.108 0.000 1.137 437 R CA 1.949 57.963 56.100 -0.144 0.000 0.951 437 R CB -0.514 29.687 30.300 -0.166 0.000 0.851 437 R HN 0.457 nan 8.270 nan 0.000 0.434 438 A N 0.650 123.353 122.820 -0.194 0.000 1.933 438 A HA -0.061 4.258 4.320 -0.001 0.000 0.218 438 A C 2.372 179.960 177.584 0.007 0.000 1.175 438 A CA 1.620 53.639 52.037 -0.029 0.000 0.628 438 A CB -0.722 18.227 19.000 -0.086 0.000 0.814 438 A HN 0.585 nan 8.150 nan 0.000 0.444 439 A N -0.184 122.630 122.820 -0.011 0.000 1.898 439 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 439 A C 1.938 179.493 177.584 -0.048 0.000 1.181 439 A CA 1.525 53.552 52.037 -0.017 0.000 0.620 439 A CB -0.485 18.499 19.000 -0.025 0.000 0.819 439 A HN 0.616 nan 8.150 nan 0.000 0.442 440 E N -0.987 119.177 120.200 -0.061 0.000 2.106 440 E HA -0.184 4.166 4.350 -0.001 0.000 0.192 440 E C 2.053 178.601 176.600 -0.087 0.000 0.984 440 E CA 1.307 57.658 56.400 -0.081 0.000 0.806 440 E CB -0.241 29.409 29.700 -0.084 0.000 0.750 440 E HN 0.744 nan 8.360 nan 0.000 0.458 441 M N 0.711 120.283 119.600 -0.046 0.000 2.123 441 M HA -0.130 4.349 4.480 -0.001 0.000 0.263 441 M C 2.150 178.459 176.300 0.015 0.000 1.069 441 M CA 1.271 56.544 55.300 -0.045 0.000 1.133 441 M CB 0.057 32.726 32.600 0.115 0.000 1.356 441 M HN 0.074 nan 8.290 nan 0.000 0.415 442 L N 0.104 121.391 121.223 0.107 0.000 2.079 442 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 442 L C 2.599 179.637 176.870 0.281 0.000 1.081 442 L CA 1.762 56.721 54.840 0.199 0.000 0.752 442 L CB -0.573 41.464 42.059 -0.036 0.000 0.896 442 L HN 0.510 nan 8.230 nan 0.000 0.433 443 S N -1.054 114.731 115.700 0.142 0.000 2.528 443 S HA 0.084 4.553 4.470 -0.001 0.000 0.219 443 S C 1.951 176.725 174.600 0.291 0.000 0.985 443 S CA 0.362 58.715 58.200 0.255 0.000 0.914 443 S CB 0.039 63.188 63.200 -0.086 0.000 0.776 443 S HN 0.295 nan 8.310 nan 0.000 0.526 444 A N 0.869 123.686 122.820 -0.005 0.000 2.067 444 A HA 0.104 4.423 4.320 -0.001 0.000 0.219 444 A C 1.669 179.144 177.584 -0.182 0.000 1.158 444 A CA 0.693 52.629 52.037 -0.170 0.000 0.661 444 A CB -1.141 17.606 19.000 -0.422 0.000 0.801 444 A HN 0.756 nan 8.150 nan 0.000 0.452 445 W N -0.656 120.672 121.300 0.047 0.000 2.392 445 W HA -0.006 4.653 4.660 -0.001 0.000 0.279 445 W C 0.928 177.257 176.519 -0.317 0.000 1.225 445 W CA 1.013 58.289 57.345 -0.115 0.000 1.233 445 W CB -0.148 29.212 29.460 -0.167 0.000 1.122 445 W HN 0.394 nan 8.180 nan 0.000 0.561 446 H N -2.496 116.649 119.070 0.124 0.000 2.834 446 H HA 0.393 4.949 4.556 -0.001 0.000 0.369 446 H C -0.505 174.734 175.328 -0.147 0.000 1.174 446 H CA -0.916 55.049 56.048 -0.138 0.000 1.165 446 H CB 1.759 31.198 29.762 -0.538 0.000 1.820 446 H HN -0.453 nan 8.280 nan 0.000 0.558 447 S N 0.698 116.363 115.700 -0.059 0.000 2.508 447 S HA 0.305 4.774 4.470 -0.001 0.000 0.284 447 S C -1.342 173.158 174.600 -0.166 0.000 1.192 447 S CA -0.669 57.524 58.200 -0.012 0.000 1.070 447 S CB 0.237 63.434 63.200 -0.004 0.000 1.004 447 S HN 0.352 nan 8.310 nan 0.000 0.493 448 W N 2.024 123.329 121.300 0.007 0.000 2.666 448 W HA 0.370 5.029 4.660 -0.001 0.000 0.334 448 W C 0.213 176.692 176.519 -0.068 0.000 1.051 448 W CA -0.805 56.517 57.345 -0.039 0.000 1.224 448 W CB 0.549 29.950 29.460 -0.098 0.000 1.405 448 W HN 0.547 nan 8.180 nan 0.000 0.513 449 D N 0.961 121.442 120.400 0.134 0.000 2.423 449 D HA 0.008 4.648 4.640 -0.001 0.000 0.238 449 D C 1.433 177.735 176.300 0.004 0.000 1.142 449 D CA 0.775 54.815 54.000 0.066 0.000 0.884 449 D CB 1.678 42.539 40.800 0.102 0.000 1.199 449 D HN 0.683 nan 8.370 nan 0.000 0.438 450 G N 3.434 112.244 108.800 0.017 0.000 2.475 450 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.220 450 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.220 450 G C 1.462 176.339 174.900 -0.039 0.000 1.125 450 G CA 0.400 45.497 45.100 -0.005 0.000 0.755 450 G HN 0.473 nan 8.290 nan 0.000 0.565 451 M N 1.024 120.611 119.600 -0.022 0.000 2.460 451 M HA 0.099 4.579 4.480 -0.001 0.000 0.263 451 M C 2.771 178.988 176.300 -0.138 0.000 1.071 451 M CA 0.771 56.079 55.300 0.012 0.000 1.096 451 M CB -0.885 31.819 32.600 0.173 0.000 1.408 451 M HN 0.316 nan 8.290 nan 0.000 0.463 452 A N -0.138 122.364 122.820 -0.531 0.000 2.168 452 A HA -0.036 4.283 4.320 -0.001 0.000 0.215 452 A C 1.218 178.595 177.584 -0.345 0.000 1.152 452 A CA 0.343 51.850 52.037 -0.882 0.000 0.716 452 A CB -0.391 17.942 19.000 -1.111 0.000 0.794 452 A HN 0.587 nan 8.150 nan 0.000 0.465 453 R N -1.677 118.699 120.500 -0.206 0.000 3.641 453 R HA -0.185 4.154 4.340 -0.001 0.000 0.286 453 R C 0.659 176.850 176.300 -0.181 0.000 1.153 453 R CA 0.730 56.749 56.100 -0.134 0.000 0.775 453 R CB -2.074 28.181 30.300 -0.076 0.000 1.215 453 R HN 0.479 nan 8.270 nan 0.000 0.474 454 I N 0.485 120.897 120.570 -0.263 0.000 2.163 454 I HA -0.182 3.987 4.170 -0.001 0.000 0.240 454 I C 2.142 178.135 176.117 -0.207 0.000 1.081 454 I CA 1.646 62.741 61.300 -0.341 0.000 1.353 454 I CB -0.694 36.943 38.000 -0.604 0.000 1.054 454 I HN 0.195 nan 8.210 nan 0.000 0.407 455 E N 0.765 120.882 120.200 -0.138 0.000 2.085 455 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 455 E C 2.093 178.646 176.600 -0.078 0.000 0.994 455 E CA 1.286 57.633 56.400 -0.088 0.000 0.801 455 E CB -0.253 29.419 29.700 -0.047 0.000 0.743 455 E HN 0.481 nan 8.360 nan 0.000 0.453 456 E N 0.414 120.570 120.200 -0.073 0.000 2.058 456 E HA -0.260 4.089 4.350 -0.001 0.000 0.194 456 E C 1.947 178.507 176.600 -0.067 0.000 0.997 456 E CA 1.126 57.492 56.400 -0.056 0.000 0.801 456 E CB 0.087 29.758 29.700 -0.047 0.000 0.746 456 E HN -0.027 nan 8.360 nan 0.000 0.450 457 R N 0.252 120.699 120.500 -0.088 0.000 2.092 457 R HA 0.013 4.352 4.340 -0.001 0.000 0.231 457 R C 2.381 178.626 176.300 -0.091 0.000 1.119 457 R CA 0.835 56.883 56.100 -0.086 0.000 0.970 457 R CB -0.435 29.805 30.300 -0.100 0.000 0.864 457 R HN 0.280 nan 8.270 nan 0.000 0.440 458 L N -0.146 121.014 121.223 -0.106 0.000 2.093 458 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 458 L C 2.345 179.157 176.870 -0.098 0.000 1.085 458 L CA 1.460 56.238 54.840 -0.102 0.000 0.755 458 L CB -0.399 41.594 42.059 -0.110 0.000 0.904 458 L HN 0.290 nan 8.230 nan 0.000 0.435 459 E N 0.132 120.279 120.200 -0.089 0.000 2.077 459 E HA -0.298 4.052 4.350 -0.001 0.000 0.193 459 E C 2.210 178.744 176.600 -0.111 0.000 0.989 459 E CA 1.231 57.572 56.400 -0.099 0.000 0.800 459 E CB 0.017 29.680 29.700 -0.062 0.000 0.746 459 E HN 0.423 nan 8.360 nan 0.000 0.452 460 Q N 0.025 119.778 119.800 -0.079 0.000 2.050 460 Q HA -0.214 4.125 4.340 -0.001 0.000 0.202 460 Q C 2.089 178.044 176.000 -0.076 0.000 0.980 460 Q CA 1.693 57.457 55.803 -0.065 0.000 0.840 460 Q CB -0.243 28.468 28.738 -0.046 0.000 0.898 460 Q HN 0.349 nan 8.270 nan 0.000 0.424 461 A N 1.043 123.816 122.820 -0.079 0.000 1.902 461 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 461 A C 2.091 179.618 177.584 -0.095 0.000 1.181 461 A CA 1.480 53.472 52.037 -0.076 0.000 0.623 461 A CB -0.513 18.444 19.000 -0.072 0.000 0.818 461 A HN 0.378 nan 8.150 nan 0.000 0.443 462 R N -0.823 119.600 120.500 -0.128 0.000 2.096 462 R HA -0.080 4.260 4.340 -0.001 0.000 0.235 462 R C 2.420 178.578 176.300 -0.237 0.000 1.127 462 R CA 1.532 57.533 56.100 -0.165 0.000 0.968 462 R CB -0.257 29.931 30.300 -0.187 0.000 0.861 462 R HN 0.493 nan 8.270 nan 0.000 0.440 463 R N 0.228 120.560 120.500 -0.279 0.000 2.090 463 R HA -0.054 4.286 4.340 -0.001 0.000 0.228 463 R C 2.026 178.276 176.300 -0.082 0.000 1.110 463 R CA 0.850 56.727 56.100 -0.372 0.000 0.973 463 R CB 0.056 30.166 30.300 -0.315 0.000 0.869 463 R HN 0.193 nan 8.270 nan 0.000 0.440 464 E N 0.775 120.956 120.200 -0.031 0.000 2.107 464 E HA -0.152 4.197 4.350 -0.001 0.000 0.191 464 E C 1.964 178.608 176.600 0.073 0.000 0.982 464 E CA 0.691 57.118 56.400 0.045 0.000 0.809 464 E CB -0.171 29.543 29.700 0.025 0.000 0.756 464 E HN 0.143 nan 8.360 nan 0.000 0.459 465 L N 1.259 122.493 121.223 0.018 0.000 2.093 465 L HA -0.069 4.271 4.340 -0.001 0.000 0.208 465 L C 2.158 179.081 176.870 0.090 0.000 1.085 465 L CA 1.570 56.440 54.840 0.050 0.000 0.755 465 L CB -0.574 41.478 42.059 -0.012 0.000 0.904 465 L HN -0.103 nan 8.230 nan 0.000 0.435 466 S N -0.444 115.273 115.700 0.029 0.000 2.368 466 S HA -0.165 4.305 4.470 -0.001 0.000 0.225 466 S C 1.831 176.575 174.600 0.241 0.000 1.030 466 S CA 1.481 59.728 58.200 0.078 0.000 0.999 466 S CB -0.554 62.593 63.200 -0.088 0.000 0.844 466 S HN 0.472 nan 8.310 nan 0.000 0.459 467 L N 0.709 122.120 121.223 0.313 0.000 2.079 467 L HA -0.015 4.324 4.340 -0.001 0.000 0.210 467 L C 1.835 178.817 176.870 0.186 0.000 1.081 467 L CA 1.661 56.680 54.840 0.297 0.000 0.752 467 L CB -0.640 41.566 42.059 0.246 0.000 0.896 467 L HN 0.285 nan 8.230 nan 0.000 0.433 468 F N -0.240 119.691 119.950 -0.032 0.000 2.451 468 F HA -0.108 4.419 4.527 -0.001 0.000 0.299 468 F C 2.186 177.910 175.800 -0.127 0.000 1.101 468 F CA 0.821 58.688 58.000 -0.221 0.000 1.436 468 F CB -0.243 38.665 39.000 -0.153 0.000 1.074 468 F HN 0.244 nan 8.300 nan 0.000 0.553 469 Q N -0.265 119.498 119.800 -0.062 0.000 2.437 469 Q HA -0.164 4.175 4.340 -0.001 0.000 0.210 469 Q C 0.755 176.692 176.000 -0.105 0.000 0.972 469 Q CA 0.484 56.224 55.803 -0.104 0.000 0.903 469 Q CB -1.319 27.433 28.738 0.022 0.000 0.967 469 Q HN 0.562 nan 8.270 nan 0.000 0.486 470 H N 1.890 120.848 119.070 -0.187 0.000 3.073 470 H HA -0.109 4.446 4.556 -0.001 0.000 0.340 470 H C 1.086 176.257 175.328 -0.261 0.000 1.054 470 H CA 0.431 56.365 56.048 -0.189 0.000 1.372 470 H CB 0.683 30.351 29.762 -0.157 0.000 1.314 470 H HN 0.341 nan 8.280 nan 0.000 0.603 471 H N 2.948 121.603 119.070 -0.691 0.000 2.567 471 H HA -0.032 4.524 4.556 -0.001 0.000 0.276 471 H C -0.256 174.662 175.328 -0.682 0.000 1.016 471 H CA 0.467 56.077 56.048 -0.730 0.000 1.186 471 H CB 0.239 29.550 29.762 -0.751 0.000 1.351 471 H HN 0.591 nan 8.280 nan 0.000 0.605 472 D N 0.246 119.977 120.400 -1.116 0.000 2.513 472 D HA 0.132 4.772 4.640 -0.001 0.000 0.222 472 D C 1.558 177.835 176.300 -0.038 0.000 1.210 472 D CA 0.282 54.144 54.000 -0.230 0.000 0.825 472 D CB 0.890 41.777 40.800 0.145 0.000 1.037 472 D HN 0.522 nan 8.370 nan 0.000 0.506 473 G N 1.255 109.822 108.800 -0.389 0.000 2.600 473 G HA2 -0.005 3.955 3.960 -0.001 0.000 0.225 473 G HA3 -0.005 3.955 3.960 -0.001 0.000 0.225 473 G C 1.351 175.656 174.900 -0.992 0.000 1.623 473 G CA -0.184 44.441 45.100 -0.791 0.000 0.903 473 G HN 0.198 nan 8.290 nan 0.000 0.574 474 I N 2.033 121.728 120.570 -1.459 0.000 2.423 474 I HA -0.183 3.986 4.170 -0.001 0.000 0.254 474 I C 2.890 178.911 176.117 -0.160 0.000 1.151 474 I CA 2.082 62.836 61.300 -0.910 0.000 1.421 474 I CB -0.052 37.592 38.000 -0.593 0.000 1.079 474 I HN 0.373 nan 8.210 nan 0.000 0.431 475 T N -1.586 112.928 114.554 -0.066 0.000 3.007 475 T HA 0.006 4.355 4.350 -0.001 0.000 0.270 475 T C 1.544 176.395 174.700 0.252 0.000 1.107 475 T CA 0.660 62.913 62.100 0.255 0.000 1.118 475 T CB -0.584 68.445 68.868 0.267 0.000 0.889 475 T HN 0.654 nan 8.240 nan 0.000 0.506 476 G N 1.432 110.336 108.800 0.174 0.000 2.198 476 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.257 476 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.257 476 G C 0.521 175.496 174.900 0.125 0.000 1.042 476 G CA 0.616 45.840 45.100 0.207 0.000 0.791 476 G HN 1.173 nan 8.290 nan 0.000 0.502 477 T N -3.441 111.174 114.554 0.102 0.000 3.215 477 T HA 0.746 5.095 4.350 -0.001 0.000 0.271 477 T C 0.804 175.690 174.700 0.310 0.000 1.012 477 T CA 1.003 63.090 62.100 -0.021 0.000 0.899 477 T CB 0.999 69.628 68.868 -0.399 0.000 1.089 477 T HN 1.578 nan 8.240 nan 0.000 0.552 478 A N 1.218 124.245 122.820 0.344 0.000 2.288 478 A HA 0.720 5.040 4.320 -0.001 0.000 0.328 478 A C 0.131 177.825 177.584 0.183 0.000 1.123 478 A CA -0.982 51.299 52.037 0.407 0.000 0.861 478 A CB 0.969 20.253 19.000 0.473 0.000 1.272 478 A HN 0.392 nan 8.150 nan 0.000 0.490 479 K N -0.230 120.209 120.400 0.066 0.000 2.276 479 K HA 0.169 4.489 4.320 -0.001 0.000 0.259 479 K C 1.083 177.698 176.600 0.025 0.000 1.001 479 K CA 0.345 56.646 56.287 0.024 0.000 0.927 479 K CB 0.376 32.881 32.500 0.008 0.000 0.969 479 K HN 0.735 nan 8.250 nan 0.000 0.490 480 T N 1.332 115.928 114.554 0.070 0.000 2.653 480 T HA -0.215 4.134 4.350 -0.001 0.000 0.268 480 T C 1.669 176.405 174.700 0.060 0.000 1.035 480 T CA 1.898 64.041 62.100 0.071 0.000 1.154 480 T CB -0.445 68.472 68.868 0.082 0.000 0.862 480 T HN 0.699 nan 8.240 nan 0.000 0.441 481 H N 0.599 119.659 119.070 -0.016 0.000 2.491 481 H HA 0.096 4.652 4.556 -0.001 0.000 0.290 481 H C 2.001 177.298 175.328 -0.051 0.000 1.050 481 H CA 0.845 56.876 56.048 -0.029 0.000 1.309 481 H CB -0.757 28.981 29.762 -0.040 0.000 1.392 481 H HN 0.282 nan 8.280 nan 0.000 0.554 482 V N 1.063 120.626 119.914 -0.586 0.000 2.407 482 V HA -0.156 3.963 4.120 -0.001 0.000 0.245 482 V C 3.000 178.904 176.094 -0.317 0.000 1.041 482 V CA 1.054 63.035 62.300 -0.531 0.000 1.040 482 V CB -0.380 31.192 31.823 -0.418 0.000 0.671 482 V HN 0.238 nan 8.190 nan 0.000 0.455 483 V N -0.031 119.837 119.914 -0.078 0.000 2.392 483 V HA -0.225 3.894 4.120 -0.001 0.000 0.249 483 V C 2.451 178.520 176.094 -0.042 0.000 1.059 483 V CA 1.849 64.165 62.300 0.026 0.000 1.051 483 V CB -0.450 31.349 31.823 -0.041 0.000 0.658 483 V HN 0.413 nan 8.190 nan 0.000 0.455 484 V N 0.404 120.299 119.914 -0.030 0.000 2.343 484 V HA -0.297 3.823 4.120 -0.001 0.000 0.247 484 V C 2.303 178.407 176.094 0.018 0.000 1.051 484 V CA 2.433 64.746 62.300 0.022 0.000 1.036 484 V CB -0.655 31.192 31.823 0.041 0.000 0.654 484 V HN 0.649 nan 8.190 nan 0.000 0.451 485 D N -1.024 119.342 120.400 -0.058 0.000 2.097 485 D HA -0.206 4.433 4.640 -0.001 0.000 0.195 485 D C 2.001 178.309 176.300 0.013 0.000 0.989 485 D CA 1.524 55.489 54.000 -0.058 0.000 0.827 485 D CB -0.167 40.537 40.800 -0.159 0.000 0.966 485 D HN 0.488 nan 8.370 nan 0.000 0.456 486 Y N 0.979 121.317 120.300 0.062 0.000 2.181 486 Y HA -0.059 4.491 4.550 -0.001 0.000 0.288 486 Y C 2.428 178.299 175.900 -0.048 0.000 1.146 486 Y CA 1.269 59.402 58.100 0.055 0.000 1.164 486 Y CB -0.763 37.794 38.460 0.163 0.000 0.982 486 Y HN 0.156 nan 8.280 nan 0.000 0.515 487 E N 0.116 120.408 120.200 0.154 0.000 2.077 487 E HA -0.254 4.095 4.350 -0.001 0.000 0.193 487 E C 1.988 178.668 176.600 0.133 0.000 0.989 487 E CA 1.386 57.895 56.400 0.182 0.000 0.800 487 E CB -0.043 29.847 29.700 0.316 0.000 0.746 487 E HN 0.577 nan 8.360 nan 0.000 0.452 488 Q N -0.020 119.844 119.800 0.107 0.000 2.050 488 Q HA -0.168 4.172 4.340 -0.001 0.000 0.202 488 Q C 2.352 178.392 176.000 0.066 0.000 0.980 488 Q CA 1.470 57.322 55.803 0.081 0.000 0.840 488 Q CB -0.098 28.678 28.738 0.063 0.000 0.898 488 Q HN 0.196 nan 8.270 nan 0.000 0.424 489 R N 0.078 120.622 120.500 0.074 0.000 2.081 489 R HA -0.080 4.259 4.340 -0.001 0.000 0.235 489 R C 2.270 178.591 176.300 0.035 0.000 1.131 489 R CA 1.496 57.634 56.100 0.063 0.000 0.960 489 R CB -0.171 30.191 30.300 0.104 0.000 0.856 489 R HN 0.301 nan 8.270 nan 0.000 0.436 490 M N 0.078 119.689 119.600 0.019 0.000 2.229 490 M HA -0.153 4.326 4.480 -0.001 0.000 0.264 490 M C 2.186 178.481 176.300 -0.008 0.000 1.063 490 M CA 1.256 56.536 55.300 -0.032 0.000 1.114 490 M CB -0.108 32.416 32.600 -0.128 0.000 1.387 490 M HN 0.104 nan 8.290 nan 0.000 0.420 491 Q N 0.472 120.296 119.800 0.039 0.000 2.079 491 Q HA -0.142 4.197 4.340 -0.001 0.000 0.200 491 Q C 1.903 177.912 176.000 0.015 0.000 0.974 491 Q CA 1.336 57.171 55.803 0.053 0.000 0.840 491 Q CB -0.204 28.588 28.738 0.090 0.000 0.898 491 Q HN 0.451 nan 8.270 nan 0.000 0.430 492 E N 0.329 120.537 120.200 0.013 0.000 2.110 492 E HA -0.118 4.231 4.350 -0.001 0.000 0.193 492 E C 1.816 178.402 176.600 -0.022 0.000 0.988 492 E CA 1.060 57.458 56.400 -0.003 0.000 0.804 492 E CB -0.192 29.511 29.700 0.005 0.000 0.745 492 E HN 0.314 nan 8.360 nan 0.000 0.458 493 A N 0.990 123.795 122.820 -0.024 0.000 1.930 493 A HA -0.114 4.205 4.320 -0.001 0.000 0.217 493 A C 2.391 179.939 177.584 -0.059 0.000 1.175 493 A CA 0.941 52.953 52.037 -0.042 0.000 0.627 493 A CB -0.652 18.324 19.000 -0.041 0.000 0.815 493 A HN 0.183 nan 8.150 nan 0.000 0.443 494 L N -0.640 120.543 121.223 -0.067 0.000 2.046 494 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 494 L C 2.577 179.368 176.870 -0.131 0.000 1.077 494 L CA 1.703 56.472 54.840 -0.118 0.000 0.747 494 L CB -0.378 41.617 42.059 -0.106 0.000 0.896 494 L HN 0.361 nan 8.230 nan 0.000 0.432 495 K N -0.182 120.169 120.400 -0.082 0.000 2.097 495 K HA -0.120 4.199 4.320 -0.001 0.000 0.205 495 K C 2.219 178.776 176.600 -0.072 0.000 1.050 495 K CA 1.240 57.482 56.287 -0.076 0.000 0.938 495 K CB -0.223 32.248 32.500 -0.049 0.000 0.718 495 K HN 0.284 nan 8.250 nan 0.000 0.442 496 A N 1.111 123.892 122.820 -0.065 0.000 1.902 496 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 496 A C 2.419 179.961 177.584 -0.071 0.000 1.181 496 A CA 1.396 53.394 52.037 -0.064 0.000 0.623 496 A CB -0.948 18.016 19.000 -0.061 0.000 0.818 496 A HN 0.389 nan 8.150 nan 0.000 0.443 497 C N -1.020 118.236 119.300 -0.074 0.000 2.432 497 C HA -0.127 4.332 4.460 -0.001 0.000 0.277 497 C C 2.872 177.833 174.990 -0.048 0.000 1.249 497 C CA 1.291 60.275 59.018 -0.057 0.000 1.725 497 C CB -1.252 26.466 27.740 -0.037 0.000 2.028 497 C HN 0.791 nan 8.230 nan 0.000 0.477 498 Q N 0.240 119.980 119.800 -0.099 0.000 2.096 498 Q HA -0.289 4.050 4.340 -0.001 0.000 0.204 498 Q C 2.157 178.171 176.000 0.023 0.000 0.982 498 Q CA 2.128 57.895 55.803 -0.060 0.000 0.850 498 Q CB -0.284 28.383 28.738 -0.119 0.000 0.901 498 Q HN 0.596 nan 8.270 nan 0.000 0.422 499 M N -0.137 119.454 119.600 -0.015 0.000 2.080 499 M HA -0.136 4.343 4.480 -0.001 0.000 0.260 499 M C 1.843 178.142 176.300 -0.001 0.000 1.068 499 M CA 1.550 56.850 55.300 0.001 0.000 1.109 499 M CB -0.448 32.135 32.600 -0.028 0.000 1.342 499 M HN 0.134 nan 8.290 nan 0.000 0.405 500 V N 0.212 120.092 119.914 -0.058 0.000 2.295 500 V HA -0.299 3.820 4.120 -0.001 0.000 0.246 500 V C 2.428 178.487 176.094 -0.057 0.000 1.049 500 V CA 2.210 64.428 62.300 -0.135 0.000 1.024 500 V CB -0.688 31.032 31.823 -0.172 0.000 0.648 500 V HN 0.559 nan 8.190 nan 0.000 0.447 501 M N 0.231 119.859 119.600 0.046 0.000 2.086 501 M HA -0.260 4.219 4.480 -0.001 0.000 0.261 501 M C 2.381 178.756 176.300 0.125 0.000 1.067 501 M CA 2.416 57.800 55.300 0.139 0.000 1.116 501 M CB -0.479 32.330 32.600 0.349 0.000 1.348 501 M HN 0.543 nan 8.290 nan 0.000 0.407 502 Q N -0.222 119.723 119.800 0.242 0.000 2.123 502 Q HA -0.129 4.210 4.340 -0.001 0.000 0.199 502 Q C 1.809 177.984 176.000 0.290 0.000 0.966 502 Q CA 1.155 57.110 55.803 0.253 0.000 0.845 502 Q CB -0.611 28.382 28.738 0.426 0.000 0.907 502 Q HN 0.417 nan 8.270 nan 0.000 0.439 503 Q N 0.585 120.545 119.800 0.267 0.000 2.124 503 Q HA -0.067 4.272 4.340 -0.001 0.000 0.202 503 Q C 2.267 178.523 176.000 0.427 0.000 0.977 503 Q CA 1.704 57.742 55.803 0.391 0.000 0.850 503 Q CB -0.191 28.693 28.738 0.244 0.000 0.901 503 Q HN 0.517 nan 8.270 nan 0.000 0.429 504 S N 0.403 116.243 115.700 0.234 0.000 2.368 504 S HA -0.090 4.379 4.470 -0.001 0.000 0.224 504 S C 2.215 176.873 174.600 0.097 0.000 1.029 504 S CA 1.061 59.449 58.200 0.313 0.000 0.988 504 S CB -0.247 63.070 63.200 0.195 0.000 0.838 504 S HN 0.130 nan 8.310 nan 0.000 0.462 505 V N 0.726 120.565 119.914 -0.124 0.000 2.343 505 V HA -0.190 3.929 4.120 -0.001 0.000 0.247 505 V C 2.005 178.082 176.094 -0.028 0.000 1.051 505 V CA 1.777 63.879 62.300 -0.330 0.000 1.036 505 V CB -0.740 30.475 31.823 -1.012 0.000 0.654 505 V HN 0.519 nan 8.190 nan 0.000 0.451 506 Y N 1.115 121.459 120.300 0.073 0.000 2.181 506 Y HA -0.231 4.318 4.550 -0.001 0.000 0.288 506 Y C 2.733 178.709 175.900 0.127 0.000 1.146 506 Y CA 2.163 60.404 58.100 0.235 0.000 1.164 506 Y CB -0.295 38.241 38.460 0.127 0.000 0.982 506 Y HN 0.105 nan 8.280 nan 0.000 0.515 507 R N -0.278 120.191 120.500 -0.051 0.000 2.090 507 R HA -0.085 4.254 4.340 -0.001 0.000 0.228 507 R C 2.091 178.105 176.300 -0.477 0.000 1.110 507 R CA 1.460 57.180 56.100 -0.634 0.000 0.973 507 R CB -0.349 29.572 30.300 -0.631 0.000 0.869 507 R HN 0.418 nan 8.270 nan 0.000 0.440 508 L N 0.293 121.367 121.223 -0.248 0.000 2.291 508 L HA -0.056 4.283 4.340 -0.001 0.000 0.214 508 L C 1.374 178.127 176.870 -0.194 0.000 1.120 508 L CA 0.770 55.421 54.840 -0.314 0.000 0.799 508 L CB 0.115 41.808 42.059 -0.610 0.000 0.925 508 L HN 0.228 nan 8.230 nan 0.000 0.446 509 L N -1.229 119.973 121.223 -0.035 0.000 3.066 509 L HA 0.231 4.570 4.340 -0.001 0.000 0.265 509 L C -0.227 176.703 176.870 0.100 0.000 1.232 509 L CA -0.089 54.817 54.840 0.110 0.000 1.031 509 L CB 0.498 42.780 42.059 0.371 0.000 1.379 509 L HN -0.007 nan 8.230 nan 0.000 0.563 510 T N 0.067 114.593 114.554 -0.047 0.000 2.841 510 T HA 0.189 4.538 4.350 -0.001 0.000 0.283 510 T C -0.184 174.438 174.700 -0.129 0.000 1.000 510 T CA -0.576 61.475 62.100 -0.082 0.000 0.977 510 T CB 2.427 71.187 68.868 -0.179 0.000 0.979 510 T HN 0.024 nan 8.240 nan 0.000 0.446 511 K N 3.909 124.245 120.400 -0.107 0.000 2.504 511 K HA -0.014 4.305 4.320 -0.001 0.000 0.278 511 K C -1.741 174.827 176.600 -0.053 0.000 1.025 511 K CA -0.961 55.277 56.287 -0.081 0.000 1.093 511 K CB 0.417 32.874 32.500 -0.071 0.000 0.873 511 K HN 0.162 nan 8.250 nan 0.000 0.483 512 P HA -0.224 nan 4.420 nan 0.000 0.216 512 P C 0.743 178.057 177.300 0.024 0.000 1.153 512 P CA 1.664 64.744 63.100 -0.034 0.000 0.858 512 P CB 0.133 31.807 31.700 -0.042 0.000 0.789 513 S N -2.233 113.470 115.700 0.006 0.000 2.607 513 S HA 0.041 4.510 4.470 -0.001 0.000 0.224 513 S C 1.671 176.282 174.600 0.018 0.000 0.969 513 S CA 0.563 58.771 58.200 0.013 0.000 0.927 513 S CB -1.097 62.103 63.200 -0.001 0.000 0.772 513 S HN 0.115 nan 8.310 nan 0.000 0.533 514 I N -0.811 119.775 120.570 0.027 0.000 3.790 514 I HA 0.206 4.375 4.170 -0.001 0.000 0.305 514 I C 0.532 176.684 176.117 0.058 0.000 1.253 514 I CA -0.404 60.914 61.300 0.031 0.000 1.355 514 I CB -0.011 38.002 38.000 0.021 0.000 1.137 514 I HN 0.250 nan 8.210 nan 0.000 0.435 515 Y N 2.759 123.006 120.300 -0.089 0.000 2.865 515 Y HA -0.071 4.478 4.550 -0.001 0.000 0.338 515 Y C 0.478 176.345 175.900 -0.054 0.000 1.269 515 Y CA 0.129 58.151 58.100 -0.129 0.000 1.585 515 Y CB 0.368 38.712 38.460 -0.193 0.000 1.224 515 Y HN -0.115 nan 8.280 nan 0.000 0.554 516 S N 8.757 124.213 115.700 -0.407 0.000 2.293 516 S HA 0.335 4.804 4.470 -0.001 0.000 0.154 516 S C -2.795 171.570 174.600 -0.393 0.000 1.602 516 S CA -1.187 56.792 58.200 -0.368 0.000 1.260 516 S CB -0.124 62.990 63.200 -0.143 0.000 1.270 516 S HN 0.676 nan 8.310 nan 0.000 0.416 517 P HA 0.306 nan 4.420 nan 0.000 0.275 517 P C -1.143 175.869 177.300 -0.480 0.000 1.227 517 P CA -0.109 62.707 63.100 -0.474 0.000 0.781 517 P CB 0.818 32.179 31.700 -0.565 0.000 0.906 518 D N 2.329 122.644 120.400 -0.141 0.000 2.441 518 D HA 0.149 4.788 4.640 -0.001 0.000 0.231 518 D C 0.265 176.576 176.300 0.019 0.000 1.073 518 D CA -0.733 53.175 54.000 -0.154 0.000 0.850 518 D CB 0.204 40.949 40.800 -0.092 0.000 1.062 518 D HN 0.045 nan 8.370 nan 0.000 0.524 519 F N 1.701 121.758 119.950 0.178 0.000 2.641 519 F HA -0.054 4.472 4.527 -0.001 0.000 0.298 519 F C 2.391 178.260 175.800 0.115 0.000 1.146 519 F CA 0.616 58.722 58.000 0.177 0.000 1.464 519 F CB -0.417 38.672 39.000 0.147 0.000 1.101 519 F HN 0.373 nan 8.300 nan 0.000 0.585 520 S N -1.885 113.951 115.700 0.227 0.000 2.524 520 S HA 0.120 4.590 4.470 -0.001 0.000 0.215 520 S C 0.339 174.974 174.600 0.057 0.000 0.986 520 S CA -0.429 57.844 58.200 0.122 0.000 0.911 520 S CB -0.641 62.611 63.200 0.088 0.000 0.805 520 S HN 0.103 nan 8.310 nan 0.000 0.501 521 F N 2.801 122.674 119.950 -0.128 0.000 2.371 521 F HA 0.581 5.107 4.527 -0.001 0.000 0.329 521 F C 0.088 175.642 175.800 -0.409 0.000 1.107 521 F CA -0.572 57.218 58.000 -0.350 0.000 1.137 521 F CB 1.493 40.125 39.000 -0.612 0.000 1.214 521 F HN -0.055 nan 8.300 nan 0.000 0.536 522 S N 5.515 120.426 115.700 -1.314 0.000 2.592 522 S HA 0.157 4.626 4.470 -0.001 0.000 0.305 522 S C 0.283 174.256 174.600 -1.045 0.000 1.118 522 S CA -0.331 57.346 58.200 -0.872 0.000 1.075 522 S CB -0.239 62.562 63.200 -0.663 0.000 1.107 522 S HN 0.643 nan 8.310 nan 0.000 0.503 523 Y N 1.614 121.673 120.300 -0.402 0.000 2.395 523 Y HA 0.211 4.760 4.550 -0.001 0.000 0.293 523 Y C 0.299 175.616 175.900 -0.972 0.000 1.123 523 Y CA 0.616 58.335 58.100 -0.635 0.000 1.227 523 Y CB 0.156 38.236 38.460 -0.633 0.000 1.012 523 Y HN 0.491 nan 8.280 nan 0.000 0.552 524 F N -1.460 118.420 119.950 -0.117 0.000 2.613 524 F HA 0.463 4.990 4.527 -0.001 0.000 0.310 524 F C -0.153 175.667 175.800 0.034 0.000 1.085 524 F CA -1.526 56.478 58.000 0.007 0.000 0.945 524 F CB 1.614 40.767 39.000 0.255 0.000 1.298 524 F HN -0.401 nan 8.300 nan 0.000 0.455 525 T N 0.052 114.758 114.554 0.252 0.000 2.856 525 T HA 0.717 5.066 4.350 -0.001 0.000 0.283 525 T C -0.661 174.131 174.700 0.153 0.000 1.008 525 T CA -0.835 61.343 62.100 0.131 0.000 0.997 525 T CB 1.339 70.225 68.868 0.030 0.000 0.992 525 T HN 0.523 nan 8.240 nan 0.000 0.454 526 L N 1.949 123.176 121.223 0.006 0.000 2.397 526 L HA 0.415 4.755 4.340 -0.001 0.000 0.271 526 L C 0.070 176.899 176.870 -0.068 0.000 1.148 526 L CA -0.292 54.457 54.840 -0.152 0.000 0.825 526 L CB 0.716 42.614 42.059 -0.267 0.000 1.117 526 L HN 0.815 nan 8.230 nan 0.000 0.456 527 D N 1.718 122.080 120.400 -0.063 0.000 2.408 527 D HA 0.215 4.855 4.640 -0.001 0.000 0.243 527 D C -1.233 174.997 176.300 -0.117 0.000 1.075 527 D CA -0.386 53.575 54.000 -0.066 0.000 0.832 527 D CB 1.142 41.934 40.800 -0.014 0.000 1.162 527 D HN 0.284 nan 8.370 nan 0.000 0.515 528 D N 2.426 122.770 120.400 -0.094 0.000 2.549 528 D HA 0.192 4.831 4.640 -0.001 0.000 0.251 528 D C 0.071 176.311 176.300 -0.099 0.000 1.153 528 D CA -0.459 53.518 54.000 -0.038 0.000 0.861 528 D CB 1.925 42.794 40.800 0.114 0.000 1.207 528 D HN 0.265 nan 8.370 nan 0.000 0.543 529 S N 2.621 118.239 115.700 -0.137 0.000 2.489 529 S HA 0.029 4.499 4.470 -0.001 0.000 0.228 529 S C 1.368 175.922 174.600 -0.076 0.000 0.995 529 S CA 0.508 58.618 58.200 -0.150 0.000 0.934 529 S CB 0.396 63.498 63.200 -0.163 0.000 0.771 529 S HN 0.489 nan 8.310 nan 0.000 0.522 530 R N -0.570 119.918 120.500 -0.020 0.000 2.535 530 R HA 0.223 4.562 4.340 -0.001 0.000 0.323 530 R C -0.640 175.727 176.300 0.111 0.000 0.979 530 R CA -0.105 56.007 56.100 0.019 0.000 1.120 530 R CB 0.767 31.075 30.300 0.013 0.000 1.306 530 R HN 0.339 nan 8.270 nan 0.000 0.540 531 W N 1.335 122.595 121.300 -0.066 0.000 3.211 531 W HA 0.298 4.957 4.660 -0.001 0.000 0.335 531 W C -2.940 173.549 176.519 -0.050 0.000 1.113 531 W CA -1.971 55.335 57.345 -0.065 0.000 1.235 531 W CB 1.839 31.274 29.460 -0.041 0.000 1.365 531 W HN -0.193 nan 8.180 nan 0.000 0.476 532 P HA 0.107 nan 4.420 nan 0.000 0.226 532 P C 0.303 177.210 177.300 -0.654 0.000 1.153 532 P CA 1.669 63.876 63.100 -1.489 0.000 0.777 532 P CB 0.318 31.426 31.700 -0.987 0.000 0.794 533 G N -1.128 107.467 108.800 -0.342 0.000 2.617 533 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.686 533 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.686 533 G C -0.515 174.316 174.900 -0.115 0.000 1.214 533 G CA -0.558 44.437 45.100 -0.174 0.000 0.796 533 G HN 0.059 nan 8.290 nan 0.000 0.654 534 S N 0.142 115.817 115.700 -0.043 0.000 2.533 534 S HA 0.532 5.002 4.470 -0.001 0.000 0.282 534 S C 1.789 176.386 174.600 -0.005 0.000 1.304 534 S CA 1.972 60.181 58.200 0.014 0.000 1.063 534 S CB 0.343 63.592 63.200 0.081 0.000 0.881 534 S HN 2.686 nan 8.310 nan 0.000 0.493 535 G N 2.864 111.662 108.800 -0.003 0.000 2.217 535 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.246 535 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.246 535 G C 0.617 175.493 174.900 -0.039 0.000 0.990 535 G CA 0.334 45.425 45.100 -0.014 0.000 0.627 535 G HN 0.832 nan 8.290 nan 0.000 0.522 536 V N -0.255 119.616 119.914 -0.072 0.000 2.690 536 V HA 0.436 4.556 4.120 -0.001 0.000 0.240 536 V C 0.814 176.850 176.094 -0.097 0.000 1.078 536 V CA 1.771 64.013 62.300 -0.096 0.000 1.102 536 V CB 0.929 32.656 31.823 -0.159 0.000 0.800 536 V HN 0.482 nan 8.190 nan 0.000 0.479 537 E N 0.341 120.475 120.200 -0.111 0.000 2.291 537 E HA 0.159 4.508 4.350 -0.001 0.000 0.276 537 E C -1.701 174.864 176.600 -0.059 0.000 0.896 537 E CA -0.479 55.867 56.400 -0.090 0.000 0.774 537 E CB 1.693 31.314 29.700 -0.132 0.000 1.227 537 E HN 0.188 nan 8.360 nan 0.000 0.413 538 D N 3.189 123.577 120.400 -0.020 0.000 2.483 538 D HA 0.066 4.706 4.640 -0.001 0.000 0.220 538 D C 0.185 176.487 176.300 0.003 0.000 1.173 538 D CA 0.169 54.178 54.000 0.014 0.000 0.964 538 D CB 0.403 41.222 40.800 0.030 0.000 1.046 538 D HN 0.387 nan 8.370 nan 0.000 0.517 539 S N 2.463 118.152 115.700 -0.019 0.000 2.666 539 S HA 0.206 4.676 4.470 -0.001 0.000 0.239 539 S C 0.832 175.416 174.600 -0.027 0.000 1.031 539 S CA -0.553 57.631 58.200 -0.027 0.000 1.015 539 S CB 0.496 63.664 63.200 -0.053 0.000 0.981 539 S HN 0.228 nan 8.310 nan 0.000 0.547 540 R N 2.858 123.336 120.500 -0.035 0.000 2.491 540 R HA 0.330 4.670 4.340 -0.001 0.000 0.283 540 R C 0.219 176.531 176.300 0.019 0.000 1.072 540 R CA 0.439 56.489 56.100 -0.083 0.000 1.048 540 R CB 0.605 30.718 30.300 -0.313 0.000 0.983 540 R HN 0.501 nan 8.270 nan 0.000 0.450 541 T N -0.493 114.077 114.554 0.027 0.000 2.889 541 T HA 0.192 4.542 4.350 -0.001 0.000 0.291 541 T C 0.251 175.044 174.700 0.155 0.000 0.995 541 T CA -0.723 61.426 62.100 0.082 0.000 1.092 541 T CB 1.417 70.322 68.868 0.062 0.000 0.954 541 T HN 0.352 nan 8.240 nan 0.000 0.506 542 T N 3.959 118.620 114.554 0.178 0.000 2.856 542 T HA 0.387 4.737 4.350 -0.001 0.000 0.292 542 T C 0.474 175.281 174.700 0.178 0.000 0.980 542 T CA -0.522 61.712 62.100 0.223 0.000 1.091 542 T CB 0.266 69.232 68.868 0.164 0.000 0.936 542 T HN 0.591 nan 8.240 nan 0.000 0.503 543 I N 3.832 124.528 120.570 0.209 0.000 2.363 543 I HA 0.209 4.378 4.170 -0.001 0.000 0.292 543 I C 0.164 176.370 176.117 0.148 0.000 1.075 543 I CA -0.102 61.301 61.300 0.172 0.000 1.333 543 I CB 0.263 38.369 38.000 0.177 0.000 1.415 543 I HN 0.449 nan 8.210 nan 0.000 0.502 544 I N 8.102 128.745 120.570 0.121 0.000 2.301 544 I HA 0.291 4.461 4.170 -0.001 0.000 0.292 544 I C -0.149 176.030 176.117 0.104 0.000 1.046 544 I CA -0.139 61.223 61.300 0.105 0.000 1.282 544 I CB 0.401 38.450 38.000 0.082 0.000 1.409 544 I HN 0.386 nan 8.210 nan 0.000 0.484 545 L N 5.784 127.072 121.223 0.108 0.000 2.319 545 L HA 0.949 5.289 4.340 -0.001 0.000 0.267 545 L C 0.149 177.076 176.870 0.095 0.000 1.011 545 L CA -0.702 54.201 54.840 0.105 0.000 0.818 545 L CB 2.185 44.312 42.059 0.113 0.000 1.316 545 L HN 0.678 nan 8.230 nan 0.000 0.432 546 G N -0.072 108.780 108.800 0.087 0.000 2.498 546 G HA2 0.118 4.078 3.960 -0.001 0.000 0.301 546 G HA3 0.118 4.078 3.960 -0.001 0.000 0.301 546 G C -0.224 174.718 174.900 0.070 0.000 1.577 546 G CA -0.460 44.688 45.100 0.079 0.000 0.868 546 G HN 0.694 nan 8.290 nan 0.000 0.599 547 E N 0.047 120.286 120.200 0.065 0.000 2.160 547 E HA -0.140 4.210 4.350 -0.001 0.000 0.195 547 E C 0.635 177.263 176.600 0.047 0.000 0.991 547 E CA 1.342 57.774 56.400 0.053 0.000 0.810 547 E CB 0.180 29.907 29.700 0.046 0.000 0.742 547 E HN 0.439 nan 8.360 nan 0.000 0.466 548 D N -0.300 120.128 120.400 0.046 0.000 2.388 548 D HA 0.120 4.759 4.640 -0.001 0.000 0.221 548 D C 1.067 177.393 176.300 0.043 0.000 1.133 548 D CA 0.132 54.156 54.000 0.040 0.000 0.831 548 D CB 0.895 41.716 40.800 0.036 0.000 0.962 548 D HN 0.330 nan 8.370 nan 0.000 0.502 549 I N -0.957 119.644 120.570 0.051 0.000 4.505 549 I HA 0.101 4.270 4.170 -0.001 0.000 0.294 549 I C -1.477 174.678 176.117 0.063 0.000 1.144 549 I CA 0.071 61.403 61.300 0.053 0.000 1.325 549 I CB 1.192 39.224 38.000 0.053 0.000 1.663 549 I HN -0.164 nan 8.210 nan 0.000 0.454 550 L N 1.642 122.908 121.223 0.072 0.000 2.795 550 L HA 0.487 4.826 4.340 -0.001 0.000 0.260 550 L C -2.587 174.336 176.870 0.089 0.000 0.935 550 L CA -0.852 54.039 54.840 0.085 0.000 0.985 550 L CB 1.579 43.696 42.059 0.097 0.000 1.433 550 L HN -0.193 nan 8.230 nan 0.000 0.447 551 P HA 0.101 nan 4.420 nan 0.000 0.220 551 P C -0.442 176.914 177.300 0.093 0.000 1.152 551 P CA 0.914 64.063 63.100 0.082 0.000 0.812 551 P CB 0.339 32.081 31.700 0.070 0.000 0.792 552 S N -2.703 113.064 115.700 0.112 0.000 2.625 552 S HA 0.758 5.227 4.470 -0.001 0.000 0.271 552 S C -1.288 173.418 174.600 0.176 0.000 1.161 552 S CA -0.741 57.532 58.200 0.122 0.000 0.820 552 S CB 2.323 65.586 63.200 0.106 0.000 1.137 552 S HN -0.152 nan 8.310 nan 0.000 0.470 553 K N 0.441 120.952 120.400 0.185 0.000 2.535 553 K HA 0.407 4.726 4.320 -0.001 0.000 0.251 553 K C -1.795 174.980 176.600 0.291 0.000 0.942 553 K CA -0.265 56.182 56.287 0.266 0.000 0.798 553 K CB 1.145 33.761 32.500 0.194 0.000 1.267 553 K HN 0.866 nan 8.250 nan 0.000 0.434 554 H N 2.184 121.410 119.070 0.260 0.000 2.548 554 H HA 0.451 5.006 4.556 -0.001 0.000 0.331 554 H C -0.179 175.397 175.328 0.412 0.000 1.093 554 H CA -0.515 55.737 56.048 0.339 0.000 1.367 554 H CB 1.353 31.407 29.762 0.487 0.000 1.455 554 H HN 0.461 nan 8.280 nan 0.000 0.519 555 V N 0.981 121.166 119.914 0.452 0.000 2.914 555 V HA 0.656 4.776 4.120 -0.001 0.000 0.314 555 V C -0.505 175.939 176.094 0.583 0.000 1.084 555 V CA -0.810 61.754 62.300 0.441 0.000 0.963 555 V CB 1.971 33.795 31.823 0.002 0.000 1.025 555 V HN 0.414 nan 8.190 nan 0.000 0.432 556 V N 3.925 124.208 119.914 0.614 0.000 2.709 556 V HA 0.637 4.756 4.120 -0.001 0.000 0.308 556 V C -0.498 175.960 176.094 0.606 0.000 1.062 556 V CA -0.375 62.249 62.300 0.541 0.000 0.901 556 V CB 1.901 33.896 31.823 0.286 0.000 1.003 556 V HN 0.946 nan 8.190 nan 0.000 0.425 557 M N 4.094 124.020 119.600 0.544 0.000 2.336 557 M HA 0.496 4.975 4.480 -0.001 0.000 0.342 557 M C -0.525 176.056 176.300 0.468 0.000 1.128 557 M CA -0.267 55.326 55.300 0.489 0.000 1.016 557 M CB 1.236 34.058 32.600 0.370 0.000 1.665 557 M HN 0.763 nan 8.290 nan 0.000 0.445 558 H N 1.975 121.277 119.070 0.387 0.000 2.492 558 H HA 0.496 5.051 4.556 -0.001 0.000 0.345 558 H C -1.374 174.088 175.328 0.223 0.000 1.136 558 H CA -0.604 55.634 56.048 0.316 0.000 1.202 558 H CB 1.229 31.249 29.762 0.430 0.000 1.524 558 H HN 0.657 nan 8.280 nan 0.000 0.506 559 N N 3.065 121.527 118.700 -0.396 0.000 2.569 559 N HA 0.040 4.779 4.740 -0.001 0.000 0.254 559 N C 0.277 175.445 175.510 -0.571 0.000 1.004 559 N CA -0.309 52.516 53.050 -0.375 0.000 0.904 559 N CB 1.613 39.992 38.487 -0.181 0.000 1.165 559 N HN 0.638 nan 8.380 nan 0.000 0.513 560 T N 2.950 117.215 114.554 -0.483 0.000 3.072 560 T HA 0.173 4.522 4.350 -0.001 0.000 0.266 560 T C 0.692 175.351 174.700 -0.068 0.000 1.127 560 T CA 0.434 62.427 62.100 -0.179 0.000 1.107 560 T CB -0.236 68.664 68.868 0.054 0.000 0.910 560 T HN 0.418 nan 8.240 nan 0.000 0.513 561 L N 2.776 123.904 121.223 -0.159 0.000 2.417 561 L HA 0.309 4.649 4.340 -0.001 0.000 0.268 561 L C -1.568 175.166 176.870 -0.228 0.000 1.158 561 L CA -1.911 52.803 54.840 -0.211 0.000 0.819 561 L CB 0.648 42.432 42.059 -0.458 0.000 1.112 561 L HN -0.040 nan 8.230 nan 0.000 0.458 562 P HA 0.039 nan 4.420 nan 0.000 0.243 562 P C -0.940 176.389 177.300 0.048 0.000 1.668 562 P CA 0.378 63.472 63.100 -0.010 0.000 0.898 562 P CB -0.361 31.385 31.700 0.077 0.000 1.637 563 H N -3.314 115.759 119.070 0.006 0.000 3.012 563 H HA 0.226 4.782 4.556 -0.001 0.000 0.367 563 H C -1.064 174.272 175.328 0.014 0.000 1.211 563 H CA -1.065 55.004 56.048 0.035 0.000 1.139 563 H CB -0.079 29.734 29.762 0.084 0.000 1.838 563 H HN -0.134 nan 8.280 nan 0.000 0.550 564 W N 1.762 123.171 121.300 0.182 0.000 2.257 564 W HA 0.224 4.884 4.660 -0.001 0.000 0.337 564 W C 0.847 177.467 176.519 0.169 0.000 1.321 564 W CA 0.467 57.884 57.345 0.120 0.000 1.267 564 W CB 0.435 29.951 29.460 0.092 0.000 1.187 564 W HN 0.507 nan 8.180 nan 0.000 0.565 565 R N 2.204 122.903 120.500 0.331 0.000 2.621 565 R HA 0.317 4.656 4.340 -0.001 0.000 0.284 565 R C -0.965 175.473 176.300 0.230 0.000 0.998 565 R CA -0.643 55.607 56.100 0.251 0.000 0.895 565 R CB 1.433 31.800 30.300 0.113 0.000 1.195 565 R HN 0.485 nan 8.270 nan 0.000 0.450 566 E N 2.190 122.501 120.200 0.185 0.000 2.207 566 E HA 0.293 4.643 4.350 -0.001 0.000 0.270 566 E C -1.303 175.348 176.600 0.084 0.000 0.927 566 E CA -0.828 55.660 56.400 0.146 0.000 0.799 566 E CB 2.408 32.186 29.700 0.130 0.000 1.172 566 E HN 0.398 nan 8.360 nan 0.000 0.404 567 Q N 2.691 122.516 119.800 0.042 0.000 2.503 567 Q HA 0.214 4.553 4.340 -0.001 0.000 0.268 567 Q C -1.668 174.291 176.000 -0.067 0.000 0.982 567 Q CA -0.526 55.272 55.803 -0.008 0.000 0.907 567 Q CB 1.319 30.042 28.738 -0.024 0.000 1.467 567 Q HN 0.557 nan 8.270 nan 0.000 0.394 568 L N 3.182 124.360 121.223 -0.075 0.000 2.416 568 L HA 0.396 4.735 4.340 -0.001 0.000 0.272 568 L C 0.235 176.972 176.870 -0.222 0.000 1.161 568 L CA -0.337 54.422 54.840 -0.136 0.000 0.845 568 L CB 0.788 42.804 42.059 -0.071 0.000 1.119 568 L HN 0.502 nan 8.230 nan 0.000 0.464 569 V N -0.431 119.246 119.914 -0.395 0.000 2.914 569 V HA 0.708 4.827 4.120 -0.001 0.000 0.314 569 V C -0.932 174.895 176.094 -0.445 0.000 1.084 569 V CA -0.848 61.176 62.300 -0.460 0.000 0.963 569 V CB 2.164 33.662 31.823 -0.542 0.000 1.025 569 V HN 0.807 nan 8.190 nan 0.000 0.432 570 D N 1.387 121.525 120.400 -0.437 0.000 2.601 570 D HA 0.630 5.269 4.640 -0.001 0.000 0.230 570 D C -1.474 174.541 176.300 -0.475 0.000 1.106 570 D CA -0.361 53.497 54.000 -0.236 0.000 0.873 570 D CB 2.533 43.288 40.800 -0.076 0.000 1.515 570 D HN 0.446 nan 8.370 nan 0.000 0.468 571 F N -0.196 119.817 119.950 0.106 0.000 2.599 571 F HA 0.345 4.871 4.527 -0.001 0.000 0.311 571 F C -0.602 175.363 175.800 0.274 0.000 1.076 571 F CA -1.031 57.046 58.000 0.128 0.000 0.937 571 F CB 1.551 40.668 39.000 0.196 0.000 1.282 571 F HN 0.170 nan 8.300 nan 0.000 0.460 572 Y N 2.078 122.538 120.300 0.268 0.000 2.304 572 Y HA 0.584 5.133 4.550 -0.001 0.000 0.328 572 Y C 0.180 176.204 175.900 0.206 0.000 1.123 572 Y CA -1.471 56.734 58.100 0.175 0.000 1.218 572 Y CB 1.048 39.563 38.460 0.092 0.000 1.207 572 Y HN 0.351 nan 8.280 nan 0.000 0.495 573 V N -0.414 119.702 119.914 0.338 0.000 3.040 573 V HA 0.553 4.672 4.120 -0.001 0.000 0.312 573 V C 0.325 176.562 176.094 0.239 0.000 1.115 573 V CA -0.786 61.674 62.300 0.267 0.000 0.998 573 V CB 1.665 33.641 31.823 0.255 0.000 1.042 573 V HN 0.655 nan 8.190 nan 0.000 0.433 574 S N 0.018 115.838 115.700 0.199 0.000 2.593 574 S HA 0.279 4.748 4.470 -0.001 0.000 0.217 574 S C 0.636 175.383 174.600 0.244 0.000 0.966 574 S CA 0.475 58.786 58.200 0.185 0.000 0.914 574 S CB -0.263 63.011 63.200 0.124 0.000 0.776 574 S HN 1.495 nan 8.310 nan 0.000 0.523 575 S N 1.157 116.991 115.700 0.223 0.000 2.541 575 S HA 0.572 5.041 4.470 -0.001 0.000 0.271 575 S C -2.686 171.795 174.600 -0.198 0.000 1.133 575 S CA -1.283 56.916 58.200 -0.002 0.000 0.876 575 S CB 1.942 65.158 63.200 0.026 0.000 1.105 575 S HN 0.013 nan 8.310 nan 0.000 0.470 576 P HA 0.215 nan 4.420 nan 0.000 0.245 576 P C -0.235 176.948 177.300 -0.195 0.000 1.206 576 P CA 0.257 63.004 63.100 -0.588 0.000 0.781 576 P CB -0.165 30.923 31.700 -1.020 0.000 0.994 577 F N 0.857 120.814 119.950 0.012 0.000 2.509 577 F HA 0.267 4.794 4.527 -0.001 0.000 0.344 577 F C 0.488 176.330 175.800 0.069 0.000 1.197 577 F CA -1.118 56.922 58.000 0.065 0.000 1.294 577 F CB -0.062 38.943 39.000 0.008 0.000 1.643 577 F HN -0.330 nan 8.300 nan 0.000 0.596 578 V N 0.964 121.014 119.914 0.226 0.000 2.735 578 V HA 0.680 4.800 4.120 -0.001 0.000 0.310 578 V C -0.303 175.856 176.094 0.108 0.000 1.061 578 V CA -0.848 61.541 62.300 0.148 0.000 0.913 578 V CB 2.333 34.235 31.823 0.132 0.000 1.005 578 V HN 0.504 nan 8.190 nan 0.000 0.428 579 S N 2.804 118.548 115.700 0.074 0.000 2.599 579 S HA 0.900 5.369 4.470 -0.001 0.000 0.294 579 S C -0.960 173.622 174.600 -0.029 0.000 1.094 579 S CA -0.824 57.401 58.200 0.041 0.000 0.931 579 S CB 2.092 65.335 63.200 0.072 0.000 1.093 579 S HN 0.442 nan 8.310 nan 0.000 0.488 580 V N 1.697 121.556 119.914 -0.092 0.000 2.628 580 V HA 0.835 4.955 4.120 -0.001 0.000 0.306 580 V C 0.025 176.030 176.094 -0.149 0.000 1.045 580 V CA -0.467 61.700 62.300 -0.221 0.000 0.905 580 V CB 1.690 33.186 31.823 -0.545 0.000 0.997 580 V HN 1.216 nan 8.190 nan 0.000 0.436 581 T N -0.694 113.789 114.554 -0.118 0.000 2.896 581 T HA 0.630 4.979 4.350 -0.001 0.000 0.297 581 T C -0.893 173.775 174.700 -0.054 0.000 1.108 581 T CA -0.915 61.138 62.100 -0.079 0.000 1.004 581 T CB 2.051 70.864 68.868 -0.090 0.000 1.159 581 T HN 0.725 nan 8.240 nan 0.000 0.499 582 D N 0.702 121.038 120.400 -0.107 0.000 2.478 582 D HA 0.221 4.860 4.640 -0.001 0.000 0.269 582 D C 0.875 177.021 176.300 -0.257 0.000 1.232 582 D CA -1.181 52.625 54.000 -0.323 0.000 1.059 582 D CB 0.294 40.908 40.800 -0.310 0.000 1.104 582 D HN 0.322 nan 8.370 nan 0.000 0.566 583 L N -0.656 120.403 121.223 -0.274 0.000 2.650 583 L HA 0.266 4.606 4.340 -0.001 0.000 0.235 583 L C 1.637 178.425 176.870 -0.136 0.000 1.149 583 L CA 0.627 55.354 54.840 -0.189 0.000 0.887 583 L CB -0.955 41.003 42.059 -0.167 0.000 1.021 583 L HN 0.630 nan 8.230 nan 0.000 0.441 584 A N -1.258 121.487 122.820 -0.126 0.000 2.387 584 A HA 0.123 4.442 4.320 -0.001 0.000 0.234 584 A C 1.258 178.793 177.584 -0.082 0.000 1.253 584 A CA 0.319 52.302 52.037 -0.091 0.000 0.894 584 A CB -0.627 18.327 19.000 -0.078 0.000 0.963 584 A HN 0.570 nan 8.150 nan 0.000 0.508 585 N N -0.473 118.170 118.700 -0.095 0.000 2.800 585 N HA -0.143 4.596 4.740 -0.001 0.000 0.250 585 N C -1.025 174.438 175.510 -0.078 0.000 1.078 585 N CA 0.298 53.300 53.050 -0.080 0.000 0.804 585 N CB -0.960 37.491 38.487 -0.060 0.000 1.135 585 N HN 0.521 nan 8.380 nan 0.000 0.565 586 N N 1.439 120.088 118.700 -0.085 0.000 2.497 586 N HA 0.267 5.007 4.740 -0.001 0.000 0.271 586 N C -2.519 172.923 175.510 -0.113 0.000 1.142 586 N CA -0.632 52.365 53.050 -0.088 0.000 0.965 586 N CB 0.920 39.366 38.487 -0.069 0.000 1.077 586 N HN 0.183 nan 8.380 nan 0.000 0.462 587 P HA 0.109 nan 4.420 nan 0.000 0.271 587 P C -0.535 176.635 177.300 -0.217 0.000 1.218 587 P CA -0.135 62.792 63.100 -0.287 0.000 0.780 587 P CB 0.783 32.056 31.700 -0.712 0.000 0.901 588 V N 2.346 122.179 119.914 -0.135 0.000 2.487 588 V HA 0.222 4.342 4.120 -0.001 0.000 0.298 588 V C 0.290 176.384 176.094 -0.001 0.000 1.028 588 V CA -0.802 61.479 62.300 -0.031 0.000 0.860 588 V CB 1.459 33.287 31.823 0.009 0.000 0.991 588 V HN 0.534 nan 8.190 nan 0.000 0.427 589 E N 3.032 123.270 120.200 0.063 0.000 2.415 589 E HA 0.464 4.814 4.350 -0.001 0.000 0.263 589 E C -0.183 176.492 176.600 0.124 0.000 0.995 589 E CA 0.128 56.595 56.400 0.112 0.000 0.915 589 E CB 0.839 30.608 29.700 0.115 0.000 0.951 589 E HN 0.895 nan 8.360 nan 0.000 0.449 590 A N 4.276 127.158 122.820 0.104 0.000 2.527 590 A HA 0.447 4.767 4.320 -0.001 0.000 0.293 590 A C -1.311 176.299 177.584 0.043 0.000 1.117 590 A CA -0.718 51.391 52.037 0.120 0.000 0.723 590 A CB 1.942 21.006 19.000 0.107 0.000 1.313 590 A HN 0.668 nan 8.150 nan 0.000 0.411 591 Q N 0.743 120.575 119.800 0.054 0.000 2.347 591 Q HA 0.652 4.991 4.340 -0.001 0.000 0.271 591 Q C -2.070 173.931 176.000 0.001 0.000 1.064 591 Q CA -0.538 55.256 55.803 -0.016 0.000 0.800 591 Q CB 2.217 30.983 28.738 0.046 0.000 1.304 591 Q HN 0.578 nan 8.270 nan 0.000 0.438 592 V N 2.557 122.404 119.914 -0.111 0.000 2.513 592 V HA 0.616 4.735 4.120 -0.001 0.000 0.299 592 V C -0.598 175.676 176.094 0.299 0.000 1.035 592 V CA -0.299 62.040 62.300 0.065 0.000 0.889 592 V CB 1.920 33.732 31.823 -0.018 0.000 0.988 592 V HN 0.871 nan 8.190 nan 0.000 0.440 593 S N 4.898 120.811 115.700 0.355 0.000 2.632 593 S HA 0.699 5.168 4.470 -0.001 0.000 0.289 593 S C -2.826 171.847 174.600 0.122 0.000 1.115 593 S CA -1.183 57.210 58.200 0.320 0.000 0.889 593 S CB 2.468 65.797 63.200 0.214 0.000 1.116 593 S HN 0.529 nan 8.310 nan 0.000 0.486 594 P HA 0.315 nan 4.420 nan 0.000 0.274 594 P C -1.197 175.763 177.300 -0.568 0.000 1.256 594 P CA -0.546 62.164 63.100 -0.648 0.000 0.795 594 P CB 0.410 31.324 31.700 -1.310 0.000 1.038 595 V N 1.644 121.143 119.914 -0.692 0.000 2.348 595 V HA 0.208 4.328 4.120 -0.001 0.000 0.270 595 V C -0.629 175.136 176.094 -0.549 0.000 1.037 595 V CA -0.196 61.785 62.300 -0.532 0.000 0.872 595 V CB -0.353 31.061 31.823 -0.681 0.000 1.002 595 V HN 0.517 nan 8.190 nan 0.000 0.464 596 W N 3.512 124.708 121.300 -0.174 0.000 2.433 596 W HA 0.638 5.298 4.660 -0.001 0.000 0.315 596 W C 0.426 176.846 176.519 -0.165 0.000 1.087 596 W CA -0.395 56.827 57.345 -0.204 0.000 1.205 596 W CB 1.854 31.196 29.460 -0.197 0.000 1.288 596 W HN 0.572 nan 8.180 nan 0.000 0.504 597 S N 1.404 117.111 115.700 0.010 0.000 2.542 597 S HA 0.622 5.092 4.470 -0.001 0.000 0.293 597 S C -1.418 172.964 174.600 -0.363 0.000 1.089 597 S CA -0.958 57.187 58.200 -0.091 0.000 0.961 597 S CB 1.226 64.360 63.200 -0.110 0.000 1.062 597 S HN 0.418 nan 8.310 nan 0.000 0.483 598 W N 1.501 122.567 121.300 -0.391 0.000 2.496 598 W HA 0.569 5.228 4.660 -0.001 0.000 0.327 598 W C 0.326 176.479 176.519 -0.610 0.000 1.086 598 W CA -0.148 56.971 57.345 -0.376 0.000 1.222 598 W CB 0.995 30.352 29.460 -0.172 0.000 1.304 598 W HN 0.633 nan 8.180 nan 0.000 0.547 599 H N 1.226 120.381 119.070 0.141 0.000 2.717 599 H HA 0.116 4.672 4.556 -0.001 0.000 0.366 599 H C -1.106 174.365 175.328 0.238 0.000 1.132 599 H CA -0.962 55.153 56.048 0.113 0.000 1.180 599 H CB 1.887 31.629 29.762 -0.033 0.000 1.678 599 H HN 0.380 nan 8.280 nan 0.000 0.537 600 H N 2.189 121.408 119.070 0.249 0.000 2.872 600 H HA 0.061 4.616 4.556 -0.001 0.000 0.273 600 H C -0.479 174.968 175.328 0.198 0.000 1.205 600 H CA -0.427 55.742 56.048 0.203 0.000 1.342 600 H CB 0.092 29.928 29.762 0.124 0.000 1.469 600 H HN 0.429 nan 8.280 nan 0.000 0.487 601 D N 3.652 124.053 120.400 0.002 0.000 2.342 601 D HA -0.061 4.579 4.640 -0.001 0.000 0.260 601 D C 0.926 177.030 176.300 -0.327 0.000 1.278 601 D CA 0.348 54.319 54.000 -0.049 0.000 0.910 601 D CB 0.771 41.639 40.800 0.114 0.000 1.079 601 D HN 0.779 nan 8.370 nan 0.000 0.496 602 T N 1.473 115.855 114.554 -0.287 0.000 3.072 602 T HA -0.072 4.277 4.350 -0.001 0.000 0.266 602 T C 1.822 176.452 174.700 -0.117 0.000 1.127 602 T CA 0.047 62.004 62.100 -0.239 0.000 1.107 602 T CB 0.224 69.018 68.868 -0.123 0.000 0.910 602 T HN 0.256 nan 8.240 nan 0.000 0.513 603 L N 2.299 123.468 121.223 -0.090 0.000 2.102 603 L HA 0.115 4.455 4.340 -0.001 0.000 0.202 603 L C 2.904 179.740 176.870 -0.057 0.000 1.076 603 L CA 2.085 56.890 54.840 -0.057 0.000 0.761 603 L CB -1.817 40.215 42.059 -0.044 0.000 0.921 603 L HN 0.557 nan 8.230 nan 0.000 0.444 604 T N -4.445 110.064 114.554 -0.075 0.000 3.081 604 T HA 0.037 4.387 4.350 -0.001 0.000 0.250 604 T C 0.731 175.404 174.700 -0.046 0.000 1.100 604 T CA -0.243 61.814 62.100 -0.073 0.000 1.038 604 T CB 0.168 68.960 68.868 -0.125 0.000 0.962 604 T HN 0.052 nan 8.240 nan 0.000 0.516 605 K N 2.171 122.542 120.400 -0.048 0.000 3.096 605 K HA -0.120 4.199 4.320 -0.001 0.000 0.266 605 K C 0.066 176.731 176.600 0.107 0.000 1.043 605 K CA 1.256 57.566 56.287 0.037 0.000 0.758 605 K CB -2.767 29.769 32.500 0.061 0.000 1.260 605 K HN 0.887 nan 8.250 nan 0.000 0.481 606 T N -2.849 111.756 114.554 0.085 0.000 2.901 606 T HA 0.810 5.159 4.350 -0.001 0.000 0.293 606 T C 0.252 175.135 174.700 0.305 0.000 1.084 606 T CA -1.053 61.131 62.100 0.140 0.000 1.008 606 T CB 2.276 71.144 68.868 0.001 0.000 1.170 606 T HN 0.135 nan 8.240 nan 0.000 0.509 607 I N 3.867 124.648 120.570 0.353 0.000 2.355 607 I HA 0.453 4.623 4.170 -0.001 0.000 0.288 607 I C -0.159 176.318 176.117 0.600 0.000 0.999 607 I CA -0.742 60.841 61.300 0.473 0.000 1.163 607 I CB 0.705 38.899 38.000 0.323 0.000 1.316 607 I HN 0.790 nan 8.210 nan 0.000 0.454 608 H N 6.536 125.790 119.070 0.307 0.000 2.985 608 H HA 0.625 5.180 4.556 -0.001 0.000 0.360 608 H C -3.295 171.836 175.328 -0.330 0.000 1.221 608 H CA -2.971 53.101 56.048 0.041 0.000 1.121 608 H CB 1.642 31.414 29.762 0.016 0.000 1.854 608 H HN 0.161 nan 8.280 nan 0.000 0.551 609 P HA 0.238 nan 4.420 nan 0.000 0.292 609 P C -0.766 176.311 177.300 -0.373 0.000 1.283 609 P CA -0.579 61.897 63.100 -1.039 0.000 0.835 609 P CB 1.962 32.737 31.700 -1.541 0.000 1.017 610 Q N 1.016 120.735 119.800 -0.134 0.000 2.337 610 Q HA 0.572 4.912 4.340 -0.001 0.000 0.266 610 Q C 0.169 176.201 176.000 0.053 0.000 1.023 610 Q CA -0.509 55.317 55.803 0.037 0.000 0.829 610 Q CB 2.740 31.518 28.738 0.066 0.000 1.306 610 Q HN 0.602 nan 8.270 nan 0.000 0.449 611 G N 0.627 109.351 108.800 -0.127 0.000 2.389 611 G HA2 0.357 4.317 3.960 -0.001 0.000 0.328 611 G HA3 0.357 4.317 3.960 -0.001 0.000 0.328 611 G C -0.389 174.235 174.900 -0.460 0.000 1.133 611 G CA -0.336 44.370 45.100 -0.657 0.000 0.891 611 G HN 0.431 nan 8.290 nan 0.000 0.485 612 S N -0.589 114.782 115.700 -0.549 0.000 2.580 612 S HA 0.335 4.804 4.470 -0.001 0.000 0.274 612 S C 1.519 175.847 174.600 -0.453 0.000 1.329 612 S CA 0.264 58.191 58.200 -0.456 0.000 1.036 612 S CB 0.790 63.663 63.200 -0.545 0.000 0.919 612 S HN 0.908 nan 8.310 nan 0.000 0.515 613 T N -0.131 114.244 114.554 -0.298 0.000 3.092 613 T HA 0.162 4.511 4.350 -0.001 0.000 0.258 613 T C 1.100 175.712 174.700 -0.145 0.000 1.031 613 T CA 0.431 62.426 62.100 -0.175 0.000 0.925 613 T CB -0.187 68.632 68.868 -0.082 0.000 1.036 613 T HN 0.696 nan 8.240 nan 0.000 0.544 614 T N -1.894 112.479 114.554 -0.300 0.000 2.969 614 T HA 0.403 4.752 4.350 -0.001 0.000 0.258 614 T C 0.262 174.768 174.700 -0.324 0.000 0.962 614 T CA -0.448 61.532 62.100 -0.199 0.000 0.903 614 T CB 0.307 69.104 68.868 -0.119 0.000 1.177 614 T HN 0.266 nan 8.240 nan 0.000 0.511 615 K N 0.471 120.450 120.400 -0.702 0.000 2.426 615 K HA 0.675 4.995 4.320 -0.001 0.000 0.251 615 K C -1.902 174.012 176.600 -1.144 0.000 0.941 615 K CA -0.829 55.080 56.287 -0.630 0.000 0.808 615 K CB 2.299 34.495 32.500 -0.506 0.000 1.265 615 K HN 0.131 nan 8.250 nan 0.000 0.432 616 Y N -0.123 120.084 120.300 -0.154 0.000 2.615 616 Y HA 0.431 4.980 4.550 -0.001 0.000 0.341 616 Y C -0.291 175.608 175.900 -0.002 0.000 1.089 616 Y CA -1.155 56.884 58.100 -0.102 0.000 1.049 616 Y CB 1.825 40.299 38.460 0.024 0.000 1.296 616 Y HN 0.234 nan 8.280 nan 0.000 0.470 617 R N 1.708 122.327 120.500 0.198 0.000 2.294 617 R HA 0.594 4.933 4.340 -0.001 0.000 0.319 617 R C -1.278 175.193 176.300 0.285 0.000 0.984 617 R CA -0.670 55.597 56.100 0.279 0.000 0.861 617 R CB 1.756 32.199 30.300 0.239 0.000 1.104 617 R HN 0.649 nan 8.270 nan 0.000 0.451 618 I N 4.218 124.981 120.570 0.322 0.000 2.441 618 I HA 0.434 4.603 4.170 -0.001 0.000 0.295 618 I C -1.062 175.250 176.117 0.324 0.000 0.994 618 I CA -0.791 60.690 61.300 0.302 0.000 1.144 618 I CB 1.066 39.255 38.000 0.315 0.000 1.314 618 I HN 0.537 nan 8.210 nan 0.000 0.445 619 I N 8.017 128.745 120.570 0.263 0.000 2.545 619 I HA 0.553 4.722 4.170 -0.001 0.000 0.292 619 I C -0.994 175.285 176.117 0.270 0.000 1.040 619 I CA -0.541 60.866 61.300 0.177 0.000 1.068 619 I CB 1.762 39.823 38.000 0.102 0.000 1.251 619 I HN 0.531 nan 8.210 nan 0.000 0.424 620 F N 2.372 122.352 119.950 0.050 0.000 2.713 620 F HA 0.565 5.092 4.527 -0.001 0.000 0.311 620 F C -1.145 174.643 175.800 -0.020 0.000 1.141 620 F CA -1.280 56.728 58.000 0.014 0.000 0.939 620 F CB 1.271 40.269 39.000 -0.003 0.000 1.325 620 F HN 0.222 nan 8.300 nan 0.000 0.453 621 K N 1.868 122.378 120.400 0.182 0.000 2.276 621 K HA 0.748 5.067 4.320 -0.001 0.000 0.285 621 K C -0.764 175.894 176.600 0.097 0.000 1.062 621 K CA -0.351 55.974 56.287 0.063 0.000 0.918 621 K CB 1.014 33.580 32.500 0.110 0.000 1.055 621 K HN 0.934 nan 8.250 nan 0.000 0.477 622 A N 4.652 127.434 122.820 -0.063 0.000 2.292 622 A HA 0.408 4.728 4.320 -0.001 0.000 0.319 622 A C -0.743 176.978 177.584 0.228 0.000 1.206 622 A CA -0.739 51.314 52.037 0.027 0.000 0.835 622 A CB 0.728 19.688 19.000 -0.067 0.000 1.164 622 A HN 0.873 nan 8.150 nan 0.000 0.505 623 R N 2.429 123.180 120.500 0.418 0.000 2.310 623 R HA 0.600 4.939 4.340 -0.001 0.000 0.324 623 R C -1.775 174.802 176.300 0.460 0.000 0.955 623 R CA -0.206 56.132 56.100 0.397 0.000 0.830 623 R CB 1.074 31.587 30.300 0.355 0.000 1.154 623 R HN 0.479 nan 8.270 nan 0.000 0.458 624 V N 6.390 126.526 119.914 0.371 0.000 2.656 624 V HA 0.458 4.578 4.120 -0.001 0.000 0.307 624 V C -2.234 173.769 176.094 -0.152 0.000 1.051 624 V CA -2.388 60.023 62.300 0.184 0.000 0.893 624 V CB 1.872 33.775 31.823 0.133 0.000 0.999 624 V HN 0.794 nan 8.190 nan 0.000 0.426 625 P HA 0.228 nan 4.420 nan 0.000 0.271 625 P C -2.749 174.064 177.300 -0.812 0.000 1.233 625 P CA -1.408 60.812 63.100 -1.467 0.000 0.789 625 P CB -0.236 30.809 31.700 -1.093 0.000 0.951 626 P HA 0.101 nan 4.420 nan 0.000 0.267 626 P C 0.105 177.357 177.300 -0.081 0.000 1.205 626 P CA 0.548 63.447 63.100 -0.335 0.000 0.765 626 P CB -0.213 31.359 31.700 -0.213 0.000 0.828 627 M N 0.363 119.959 119.600 -0.007 0.000 2.253 627 M HA -0.218 4.261 4.480 -0.001 0.000 0.199 627 M C 0.590 177.092 176.300 0.335 0.000 0.342 627 M CA 0.964 56.401 55.300 0.227 0.000 0.417 627 M CB -2.005 30.813 32.600 0.363 0.000 1.338 627 M HN 0.585 nan 8.290 nan 0.000 0.920 628 G N -0.234 108.622 108.800 0.094 0.000 3.176 628 G HA2 0.941 4.900 3.960 -0.001 0.000 0.272 628 G HA3 0.941 4.900 3.960 -0.001 0.000 0.272 628 G C -1.317 173.730 174.900 0.245 0.000 1.349 628 G CA -0.966 44.172 45.100 0.063 0.000 0.953 628 G HN 0.188 nan 8.290 nan 0.000 0.559 629 L N -0.504 120.847 121.223 0.213 0.000 2.409 629 L HA 0.789 5.129 4.340 -0.001 0.000 0.262 629 L C -0.296 176.687 176.870 0.188 0.000 0.992 629 L CA -1.031 53.962 54.840 0.256 0.000 0.817 629 L CB 2.462 44.676 42.059 0.258 0.000 1.350 629 L HN 0.763 nan 8.230 nan 0.000 0.411 630 A N 0.844 123.817 122.820 0.254 0.000 2.422 630 A HA 0.828 5.147 4.320 -0.001 0.000 0.302 630 A C -0.799 176.966 177.584 0.300 0.000 1.041 630 A CA -0.454 51.724 52.037 0.234 0.000 0.708 630 A CB 1.785 20.983 19.000 0.331 0.000 1.257 630 A HN 0.559 nan 8.150 nan 0.000 0.414 631 T N 2.004 116.626 114.554 0.114 0.000 2.824 631 T HA 0.659 5.008 4.350 -0.001 0.000 0.280 631 T C -1.109 173.526 174.700 -0.109 0.000 0.995 631 T CA 0.179 62.385 62.100 0.177 0.000 1.009 631 T CB 0.421 69.382 68.868 0.155 0.000 0.955 631 T HN 0.437 nan 8.240 nan 0.000 0.452 632 Y N 0.310 120.702 120.300 0.153 0.000 2.605 632 Y HA 0.673 5.222 4.550 -0.001 0.000 0.343 632 Y C -0.344 175.486 175.900 -0.117 0.000 1.036 632 Y CA -1.156 56.947 58.100 0.006 0.000 1.065 632 Y CB 1.731 40.217 38.460 0.044 0.000 1.288 632 Y HN 0.314 nan 8.280 nan 0.000 0.481 633 V N 3.227 123.104 119.914 -0.061 0.000 2.588 633 V HA 0.443 4.563 4.120 -0.001 0.000 0.304 633 V C -0.780 175.253 176.094 -0.101 0.000 1.042 633 V CA -0.953 61.248 62.300 -0.164 0.000 0.877 633 V CB 1.797 33.452 31.823 -0.279 0.000 0.996 633 V HN 0.499 nan 8.190 nan 0.000 0.425 634 L N 3.896 125.088 121.223 -0.051 0.000 2.296 634 L HA 0.690 5.029 4.340 -0.001 0.000 0.286 634 L C -0.144 176.740 176.870 0.023 0.000 1.023 634 L CA -0.135 54.688 54.840 -0.027 0.000 0.812 634 L CB 1.880 43.938 42.059 -0.002 0.000 1.223 634 L HN 0.612 nan 8.230 nan 0.000 0.421 635 T N 3.691 118.263 114.554 0.029 0.000 2.861 635 T HA 0.472 4.821 4.350 -0.001 0.000 0.287 635 T C -0.297 174.449 174.700 0.077 0.000 1.003 635 T CA -0.381 61.751 62.100 0.052 0.000 0.977 635 T CB 2.448 71.336 68.868 0.034 0.000 0.996 635 T HN 0.392 nan 8.240 nan 0.000 0.448 636 I N 2.996 123.620 120.570 0.090 0.000 2.612 636 I HA 0.587 4.757 4.170 -0.001 0.000 0.295 636 I C 0.142 176.321 176.117 0.102 0.000 1.011 636 I CA 0.013 61.382 61.300 0.116 0.000 1.326 636 I CB 0.849 38.921 38.000 0.120 0.000 1.427 636 I HN 0.821 nan 8.210 nan 0.000 0.537 637 S N 3.632 119.408 115.700 0.127 0.000 2.667 637 S HA 0.317 4.786 4.470 -0.001 0.000 0.292 637 S C 0.164 174.788 174.600 0.041 0.000 1.126 637 S CA -0.583 57.655 58.200 0.064 0.000 0.881 637 S CB 1.570 64.788 63.200 0.031 0.000 1.132 637 S HN 0.736 nan 8.310 nan 0.000 0.492 638 D N 0.204 120.571 120.400 -0.054 0.000 2.347 638 D HA 0.042 4.681 4.640 -0.001 0.000 0.215 638 D C 0.709 176.738 176.300 -0.452 0.000 0.976 638 D CA 0.713 54.643 54.000 -0.116 0.000 0.884 638 D CB -0.121 40.630 40.800 -0.081 0.000 0.915 638 D HN 0.610 nan 8.370 nan 0.000 0.526 639 S N -1.328 114.019 115.700 -0.588 0.000 2.671 639 S HA 0.377 4.846 4.470 -0.001 0.000 0.277 639 S C -0.612 173.561 174.600 -0.711 0.000 1.165 639 S CA -1.165 56.439 58.200 -0.994 0.000 0.822 639 S CB 1.700 64.598 63.200 -0.503 0.000 1.150 639 S HN -0.044 nan 8.310 nan 0.000 0.479 640 K N 1.783 121.859 120.400 -0.540 0.000 2.440 640 K HA 0.132 4.452 4.320 -0.001 0.000 0.275 640 K C -2.420 174.203 176.600 0.038 0.000 1.082 640 K CA -0.407 55.886 56.287 0.011 0.000 1.135 640 K CB -0.644 31.890 32.500 0.056 0.000 0.864 640 K HN 0.380 nan 8.250 nan 0.000 0.479 641 P HA -0.006 nan 4.420 nan 0.000 0.275 641 P C 0.528 177.847 177.300 0.032 0.000 1.228 641 P CA -0.299 62.846 63.100 0.076 0.000 0.786 641 P CB 0.764 32.534 31.700 0.117 0.000 0.927 642 E N 1.368 121.543 120.200 -0.042 0.000 2.160 642 E HA -0.236 4.113 4.350 -0.001 0.000 0.195 642 E C 0.488 176.894 176.600 -0.323 0.000 0.991 642 E CA 1.156 57.436 56.400 -0.200 0.000 0.810 642 E CB -0.022 29.489 29.700 -0.314 0.000 0.742 642 E HN 0.499 nan 8.360 nan 0.000 0.466 643 H N -0.614 118.468 119.070 0.020 0.000 2.505 643 H HA 0.219 4.774 4.556 -0.001 0.000 0.289 643 H C -0.417 174.909 175.328 -0.004 0.000 1.052 643 H CA 0.209 56.263 56.048 0.011 0.000 1.156 643 H CB 0.733 30.500 29.762 0.008 0.000 1.507 643 H HN -0.047 nan 8.280 nan 0.000 0.548 644 T N 1.451 116.030 114.554 0.042 0.000 2.812 644 T HA 0.311 4.660 4.350 -0.001 0.000 0.282 644 T C 0.314 174.905 174.700 -0.182 0.000 0.990 644 T CA -0.699 61.360 62.100 -0.069 0.000 0.960 644 T CB 2.150 70.970 68.868 -0.080 0.000 0.948 644 T HN 0.269 nan 8.240 nan 0.000 0.438 645 S N 2.406 117.955 115.700 -0.251 0.000 2.718 645 S HA 0.786 5.255 4.470 -0.001 0.000 0.300 645 S C -1.386 172.885 174.600 -0.548 0.000 1.117 645 S CA -0.790 57.280 58.200 -0.216 0.000 1.002 645 S CB 0.879 64.056 63.200 -0.039 0.000 1.092 645 S HN 0.576 nan 8.310 nan 0.000 0.542 646 Y N -0.024 120.286 120.300 0.018 0.000 2.391 646 Y HA 0.648 5.197 4.550 -0.001 0.000 0.341 646 Y C 0.563 176.523 175.900 0.101 0.000 0.965 646 Y CA -0.786 57.314 58.100 -0.000 0.000 1.067 646 Y CB 1.714 40.042 38.460 -0.220 0.000 1.199 646 Y HN 1.042 nan 8.280 nan 0.000 0.450 647 A N 2.041 125.056 122.820 0.326 0.000 2.445 647 A HA 0.486 4.805 4.320 -0.001 0.000 0.242 647 A C 0.326 178.115 177.584 0.342 0.000 1.075 647 A CA -0.248 51.966 52.037 0.295 0.000 0.777 647 A CB -0.057 19.110 19.000 0.277 0.000 1.013 647 A HN 0.768 nan 8.150 nan 0.000 0.493 648 S N 1.955 117.788 115.700 0.222 0.000 2.652 648 S HA 0.554 5.023 4.470 -0.001 0.000 0.270 648 S C -0.352 174.346 174.600 0.163 0.000 1.243 648 S CA -0.878 57.438 58.200 0.193 0.000 0.999 648 S CB 0.771 64.041 63.200 0.117 0.000 0.973 648 S HN 0.693 nan 8.310 nan 0.000 0.544 649 N N 0.455 119.226 118.700 0.119 0.000 2.310 649 N HA 0.471 5.211 4.740 -0.001 0.000 0.292 649 N C -2.017 173.434 175.510 -0.098 0.000 1.049 649 N CA -0.516 52.557 53.050 0.038 0.000 0.849 649 N CB 2.013 40.604 38.487 0.173 0.000 1.532 649 N HN 0.599 nan 8.380 nan 0.000 0.479 650 L N 2.615 123.734 121.223 -0.175 0.000 2.404 650 L HA 0.488 4.827 4.340 -0.001 0.000 0.272 650 L C -1.481 175.224 176.870 -0.276 0.000 0.980 650 L CA -0.515 54.193 54.840 -0.219 0.000 0.836 650 L CB 1.452 43.440 42.059 -0.118 0.000 1.238 650 L HN 0.443 nan 8.230 nan 0.000 0.408 651 L N 6.593 127.596 121.223 -0.368 0.000 2.257 651 L HA 0.463 4.802 4.340 -0.001 0.000 0.290 651 L C -1.202 175.630 176.870 -0.063 0.000 1.044 651 L CA -0.423 54.264 54.840 -0.255 0.000 0.810 651 L CB 1.204 43.098 42.059 -0.275 0.000 1.193 651 L HN 0.691 nan 8.230 nan 0.000 0.425 652 L N 6.881 128.092 121.223 -0.020 0.000 2.276 652 L HA 0.561 4.901 4.340 -0.001 0.000 0.286 652 L C -0.405 176.507 176.870 0.070 0.000 1.024 652 L CA -0.557 54.305 54.840 0.037 0.000 0.826 652 L CB 1.150 43.222 42.059 0.022 0.000 1.211 652 L HN 0.666 nan 8.230 nan 0.000 0.422 653 R N 1.939 122.494 120.500 0.092 0.000 2.824 653 R HA 0.404 4.743 4.340 -0.001 0.000 0.267 653 R C -1.739 174.605 176.300 0.075 0.000 1.035 653 R CA -0.995 55.155 56.100 0.084 0.000 0.887 653 R CB 1.072 31.426 30.300 0.091 0.000 1.262 653 R HN 0.191 nan 8.270 nan 0.000 0.487 654 K N 1.518 121.949 120.400 0.051 0.000 2.154 654 K HA 0.203 4.523 4.320 -0.001 0.000 0.264 654 K C -0.149 176.462 176.600 0.018 0.000 1.008 654 K CA -0.392 55.916 56.287 0.035 0.000 0.937 654 K CB 0.561 33.078 32.500 0.027 0.000 1.002 654 K HN 0.833 nan 8.250 nan 0.000 0.469 655 N N 1.268 119.967 118.700 -0.000 0.000 2.746 655 N HA -0.108 4.631 4.740 -0.001 0.000 0.250 655 N C -2.445 173.040 175.510 -0.041 0.000 1.055 655 N CA -0.277 52.757 53.050 -0.026 0.000 0.699 655 N CB -0.326 38.146 38.487 -0.024 0.000 0.919 655 N HN 0.418 nan 8.380 nan 0.000 0.548 656 P HA 0.264 nan 4.420 nan 0.000 0.278 656 P C -0.318 176.854 177.300 -0.214 0.000 1.258 656 P CA 0.058 63.105 63.100 -0.089 0.000 0.811 656 P CB 1.202 32.856 31.700 -0.075 0.000 1.063 657 T N -3.176 111.263 114.554 -0.193 0.000 2.916 657 T HA 0.484 4.833 4.350 -0.001 0.000 0.292 657 T C 0.240 174.805 174.700 -0.225 0.000 1.064 657 T CA -0.746 61.240 62.100 -0.191 0.000 1.011 657 T CB 0.636 69.466 68.868 -0.064 0.000 1.152 657 T HN 0.487 nan 8.240 nan 0.000 0.510 658 S N 0.844 116.443 115.700 -0.167 0.000 2.569 658 S HA 0.386 4.856 4.470 -0.001 0.000 0.274 658 S C -0.125 174.595 174.600 0.200 0.000 1.353 658 S CA -0.749 57.444 58.200 -0.010 0.000 1.023 658 S CB -0.329 62.874 63.200 0.005 0.000 0.876 658 S HN 0.702 nan 8.310 nan 0.000 0.540 659 L N 2.341 123.776 121.223 0.352 0.000 2.481 659 L HA 0.373 4.712 4.340 -0.001 0.000 0.255 659 L C -2.308 174.671 176.870 0.182 0.000 1.192 659 L CA -1.610 53.402 54.840 0.287 0.000 0.924 659 L CB 1.611 43.916 42.059 0.409 0.000 1.179 659 L HN 0.605 nan 8.230 nan 0.000 0.491 660 P HA 0.162 nan 4.420 nan 0.000 0.271 660 P C -0.148 177.148 177.300 -0.006 0.000 1.218 660 P CA -0.163 62.973 63.100 0.060 0.000 0.780 660 P CB 1.785 33.509 31.700 0.041 0.000 0.901 661 L N 1.316 122.544 121.223 0.009 0.000 3.347 661 L HA 0.280 4.620 4.340 -0.001 0.000 0.306 661 L C 1.446 178.379 176.870 0.104 0.000 1.301 661 L CA -0.190 54.631 54.840 -0.032 0.000 0.985 661 L CB 0.068 42.084 42.059 -0.071 0.000 1.400 661 L HN 0.723 nan 8.230 nan 0.000 0.601 662 G N 1.187 110.030 108.800 0.071 0.000 2.622 662 G HA2 -0.411 3.549 3.960 -0.001 0.000 0.307 662 G HA3 -0.411 3.549 3.960 -0.001 0.000 0.307 662 G C 0.572 175.525 174.900 0.089 0.000 1.226 662 G CA 0.796 45.958 45.100 0.102 0.000 0.997 662 G HN 0.498 nan 8.290 nan 0.000 0.551 663 Q N -0.483 119.348 119.800 0.052 0.000 2.444 663 Q HA 0.194 4.534 4.340 -0.001 0.000 0.206 663 Q C 0.776 176.602 176.000 -0.290 0.000 0.948 663 Q CA 0.175 55.894 55.803 -0.140 0.000 0.946 663 Q CB 0.278 28.836 28.738 -0.300 0.000 1.027 663 Q HN 0.501 nan 8.270 nan 0.000 0.513 664 Y N 4.304 124.420 120.300 -0.306 0.000 2.802 664 Y HA -0.062 4.488 4.550 -0.001 0.000 0.333 664 Y C -1.292 174.468 175.900 -0.234 0.000 1.244 664 Y CA -1.511 56.404 58.100 -0.308 0.000 1.558 664 Y CB 0.785 39.221 38.460 -0.040 0.000 1.233 664 Y HN 0.068 nan 8.280 nan 0.000 0.547 665 P HA -0.096 nan 4.420 nan 0.000 0.242 665 P C -0.612 176.525 177.300 -0.272 0.000 1.197 665 P CA 0.781 63.613 63.100 -0.448 0.000 0.765 665 P CB 0.292 31.623 31.700 -0.616 0.000 0.936 666 E N 0.770 120.858 120.200 -0.187 0.000 2.199 666 E HA 0.239 4.589 4.350 -0.001 0.000 0.265 666 E C -0.890 175.838 176.600 0.214 0.000 0.882 666 E CA -0.826 55.602 56.400 0.047 0.000 0.759 666 E CB 0.763 30.525 29.700 0.103 0.000 1.148 666 E HN -0.198 nan 8.360 nan 0.000 0.412 667 D N 2.776 123.259 120.400 0.140 0.000 2.382 667 D HA 0.089 4.729 4.640 -0.001 0.000 0.245 667 D C -0.090 176.288 176.300 0.131 0.000 1.120 667 D CA -0.139 53.950 54.000 0.148 0.000 0.890 667 D CB 1.245 42.119 40.800 0.122 0.000 1.201 667 D HN 0.217 nan 8.370 nan 0.000 0.433 668 V N 2.739 122.719 119.914 0.111 0.000 2.763 668 V HA -0.036 4.083 4.120 -0.001 0.000 0.306 668 V C 0.694 176.664 176.094 -0.207 0.000 1.059 668 V CA 0.265 62.536 62.300 -0.049 0.000 1.138 668 V CB 0.575 32.341 31.823 -0.096 0.000 0.940 668 V HN 0.364 nan 8.190 nan 0.000 0.489 669 K N 3.336 123.544 120.400 -0.321 0.000 2.118 669 K HA 0.719 5.038 4.320 -0.001 0.000 0.254 669 K C -1.009 175.241 176.600 -0.584 0.000 0.961 669 K CA -0.131 56.008 56.287 -0.247 0.000 0.876 669 K CB 1.265 33.717 32.500 -0.079 0.000 1.077 669 K HN 0.410 nan 8.250 nan 0.000 0.440 670 F N -0.427 119.538 119.950 0.026 0.000 2.593 670 F HA 0.799 5.325 4.527 -0.001 0.000 0.320 670 F C 0.560 176.369 175.800 0.014 0.000 1.060 670 F CA -0.623 57.385 58.000 0.014 0.000 0.940 670 F CB 2.694 41.704 39.000 0.016 0.000 1.268 670 F HN 0.524 nan 8.300 nan 0.000 0.475 671 G N 0.401 109.315 108.800 0.190 0.000 2.547 671 G HA2 0.405 4.364 3.960 -0.001 0.000 0.291 671 G HA3 0.405 4.364 3.960 -0.001 0.000 0.291 671 G C -2.233 172.724 174.900 0.094 0.000 1.471 671 G CA -0.843 44.325 45.100 0.113 0.000 0.798 671 G HN 0.369 nan 8.290 nan 0.000 0.504 672 D N 0.793 121.236 120.400 0.071 0.000 2.362 672 D HA 0.436 5.075 4.640 -0.001 0.000 0.242 672 D C -1.955 174.377 176.300 0.054 0.000 1.132 672 D CA -0.726 53.310 54.000 0.060 0.000 0.907 672 D CB 1.020 41.848 40.800 0.047 0.000 1.195 672 D HN 0.023 nan 8.370 nan 0.000 0.429 673 P HA 0.082 nan 4.420 nan 0.000 0.265 673 P C -0.542 176.789 177.300 0.051 0.000 1.187 673 P CA 0.423 63.556 63.100 0.054 0.000 0.766 673 P CB 0.420 32.154 31.700 0.057 0.000 0.820 674 R N 0.216 120.748 120.500 0.054 0.000 2.712 674 R HA 0.411 4.750 4.340 -0.001 0.000 0.272 674 R C -1.199 175.142 176.300 0.068 0.000 1.032 674 R CA -1.020 55.112 56.100 0.053 0.000 0.874 674 R CB 1.035 31.362 30.300 0.045 0.000 1.256 674 R HN 0.223 nan 8.270 nan 0.000 0.468 675 E N 1.747 121.988 120.200 0.068 0.000 2.383 675 E HA 0.298 4.647 4.350 -0.001 0.000 0.264 675 E C -0.046 176.614 176.600 0.099 0.000 1.050 675 E CA -0.152 56.303 56.400 0.092 0.000 0.896 675 E CB 1.090 30.828 29.700 0.064 0.000 0.982 675 E HN 0.473 nan 8.360 nan 0.000 0.424 676 I N -2.142 118.523 120.570 0.159 0.000 2.994 676 I HA 0.557 4.726 4.170 -0.001 0.000 0.306 676 I C -0.911 175.354 176.117 0.247 0.000 1.195 676 I CA -0.752 60.641 61.300 0.155 0.000 1.001 676 I CB 2.546 40.609 38.000 0.106 0.000 1.244 676 I HN 0.172 nan 8.210 nan 0.000 0.437 677 S N 4.579 120.393 115.700 0.190 0.000 2.521 677 S HA 0.795 5.265 4.470 -0.001 0.000 0.295 677 S C -0.765 173.952 174.600 0.196 0.000 1.098 677 S CA -0.617 57.706 58.200 0.204 0.000 0.999 677 S CB 1.751 65.023 63.200 0.120 0.000 1.034 677 S HN 0.512 nan 8.310 nan 0.000 0.483 678 L N 2.284 123.654 121.223 0.245 0.000 2.409 678 L HA 0.690 5.029 4.340 -0.001 0.000 0.262 678 L C -0.428 176.539 176.870 0.161 0.000 0.992 678 L CA -0.684 54.270 54.840 0.190 0.000 0.817 678 L CB 2.304 44.490 42.059 0.211 0.000 1.350 678 L HN 0.498 nan 8.230 nan 0.000 0.411 679 R N 1.668 122.238 120.500 0.118 0.000 2.510 679 R HA 0.638 4.978 4.340 -0.001 0.000 0.287 679 R C -2.068 174.281 176.300 0.081 0.000 1.084 679 R CA -0.463 55.695 56.100 0.096 0.000 0.934 679 R CB 2.289 32.637 30.300 0.081 0.000 1.201 679 R HN 0.401 nan 8.270 nan 0.000 0.431 680 V N 4.495 124.455 119.914 0.077 0.000 2.435 680 V HA 0.595 4.714 4.120 -0.001 0.000 0.290 680 V C 1.047 177.175 176.094 0.056 0.000 1.030 680 V CA 0.646 62.987 62.300 0.067 0.000 0.881 680 V CB 1.170 33.035 31.823 0.070 0.000 0.983 680 V HN 1.112 nan 8.190 nan 0.000 0.445 681 G N 5.009 113.840 108.800 0.052 0.000 2.574 681 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.286 681 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.286 681 G C 0.414 175.338 174.900 0.039 0.000 1.212 681 G CA 0.534 45.661 45.100 0.044 0.000 0.979 681 G HN 0.712 nan 8.290 nan 0.000 0.557 682 N N 2.166 120.886 118.700 0.033 0.000 2.235 682 N HA 0.242 4.982 4.740 -0.001 0.000 0.209 682 N C 1.238 176.761 175.510 0.022 0.000 1.122 682 N CA 0.851 53.917 53.050 0.026 0.000 0.845 682 N CB 0.570 39.069 38.487 0.020 0.000 1.004 682 N HN 0.835 nan 8.380 nan 0.000 0.499 683 G N 2.183 111.000 108.800 0.029 0.000 2.479 683 G HA2 0.149 4.108 3.960 -0.001 0.000 0.275 683 G HA3 0.149 4.108 3.960 -0.001 0.000 0.275 683 G C -2.273 172.640 174.900 0.023 0.000 1.421 683 G CA -0.527 44.589 45.100 0.026 0.000 1.059 683 G HN 0.017 nan 8.290 nan 0.000 0.535 684 P HA 0.211 nan 4.420 nan 0.000 0.274 684 P C -0.570 176.752 177.300 0.036 0.000 1.237 684 P CA 0.028 63.136 63.100 0.013 0.000 0.793 684 P CB 0.945 32.647 31.700 0.004 0.000 0.977 685 T N 2.535 117.108 114.554 0.031 0.000 2.771 685 T HA 0.474 4.824 4.350 -0.001 0.000 0.281 685 T C -0.018 174.720 174.700 0.065 0.000 0.982 685 T CA -0.390 61.754 62.100 0.072 0.000 0.978 685 T CB 0.162 69.089 68.868 0.098 0.000 0.930 685 T HN 0.180 nan 8.240 nan 0.000 0.447 686 L N 2.616 123.885 121.223 0.077 0.000 2.329 686 L HA 0.793 5.132 4.340 -0.001 0.000 0.279 686 L C 0.144 176.968 176.870 -0.078 0.000 1.014 686 L CA -1.201 53.610 54.840 -0.047 0.000 0.814 686 L CB 1.585 43.599 42.059 -0.076 0.000 1.257 686 L HN 0.638 nan 8.230 nan 0.000 0.424 687 A N 3.081 125.765 122.820 -0.227 0.000 2.330 687 A HA 0.862 5.181 4.320 -0.001 0.000 0.327 687 A C -1.184 176.168 177.584 -0.388 0.000 1.155 687 A CA -0.301 51.651 52.037 -0.141 0.000 0.803 687 A CB 0.754 19.718 19.000 -0.060 0.000 1.208 687 A HN 0.497 nan 8.150 nan 0.000 0.477 688 F N 0.875 120.870 119.950 0.075 0.000 2.546 688 F HA 0.545 5.071 4.527 -0.001 0.000 0.320 688 F C 1.105 176.954 175.800 0.082 0.000 1.076 688 F CA -0.332 57.728 58.000 0.100 0.000 0.928 688 F CB 2.115 41.176 39.000 0.101 0.000 1.189 688 F HN 0.670 nan 8.300 nan 0.000 0.465 689 S N -0.011 115.855 115.700 0.276 0.000 2.617 689 S HA 0.109 4.579 4.470 -0.001 0.000 0.259 689 S C 0.963 175.671 174.600 0.180 0.000 1.301 689 S CA -0.110 58.199 58.200 0.182 0.000 0.984 689 S CB 0.683 63.994 63.200 0.184 0.000 0.954 689 S HN 0.843 nan 8.310 nan 0.000 0.572 690 E N -0.309 119.964 120.200 0.122 0.000 2.472 690 E HA -0.158 4.192 4.350 -0.001 0.000 0.200 690 E C 1.223 177.887 176.600 0.107 0.000 1.046 690 E CA 0.800 57.261 56.400 0.102 0.000 0.871 690 E CB -0.382 29.362 29.700 0.074 0.000 0.806 690 E HN 0.752 nan 8.360 nan 0.000 0.533 691 Q N -0.005 119.874 119.800 0.131 0.000 2.280 691 Q HA 0.210 4.549 4.340 -0.001 0.000 0.201 691 Q C 0.803 176.892 176.000 0.149 0.000 0.890 691 Q CA 0.446 56.324 55.803 0.125 0.000 0.947 691 Q CB 1.027 29.840 28.738 0.125 0.000 1.081 691 Q HN 0.488 nan 8.270 nan 0.000 0.502 692 G N 0.384 109.295 108.800 0.184 0.000 2.136 692 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.242 692 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.242 692 G C -0.262 174.867 174.900 0.382 0.000 0.989 692 G CA -0.145 45.074 45.100 0.197 0.000 0.682 692 G HN 0.260 nan 8.290 nan 0.000 0.522 693 L N -0.049 121.431 121.223 0.429 0.000 2.325 693 L HA 0.683 5.023 4.340 -0.001 0.000 0.278 693 L C 0.828 177.982 176.870 0.473 0.000 1.023 693 L CA -1.377 53.756 54.840 0.488 0.000 0.811 693 L CB 1.560 43.801 42.059 0.304 0.000 1.249 693 L HN 0.130 nan 8.230 nan 0.000 0.431 694 L N 2.966 124.440 121.223 0.419 0.000 2.559 694 L HA -0.080 4.260 4.340 -0.001 0.000 0.282 694 L C 0.963 177.891 176.870 0.096 0.000 1.232 694 L CA 1.113 55.949 54.840 -0.006 0.000 0.885 694 L CB 0.113 42.213 42.059 0.068 0.000 1.131 694 L HN 0.736 nan 8.230 nan 0.000 0.498 695 K N 1.372 121.733 120.400 -0.065 0.000 2.443 695 K HA 0.244 4.563 4.320 -0.001 0.000 0.200 695 K C -0.276 176.268 176.600 -0.094 0.000 1.278 695 K CA 0.559 56.835 56.287 -0.019 0.000 0.925 695 K CB 0.482 32.955 32.500 -0.046 0.000 1.225 695 K HN 0.813 nan 8.250 nan 0.000 0.514 696 S N -0.399 115.221 115.700 -0.133 0.000 2.565 696 S HA 0.524 4.994 4.470 -0.001 0.000 0.269 696 S C -1.005 173.541 174.600 -0.090 0.000 1.153 696 S CA -1.031 57.114 58.200 -0.091 0.000 0.835 696 S CB 1.393 64.585 63.200 -0.014 0.000 1.122 696 S HN 0.096 nan 8.310 nan 0.000 0.462 697 I N 1.306 121.838 120.570 -0.064 0.000 2.533 697 I HA 0.460 4.629 4.170 -0.001 0.000 0.290 697 I C -0.663 175.414 176.117 -0.067 0.000 1.056 697 I CA -0.376 60.887 61.300 -0.061 0.000 1.057 697 I CB 2.180 40.134 38.000 -0.077 0.000 1.240 697 I HN 0.756 nan 8.210 nan 0.000 0.423 698 Q N 6.119 125.869 119.800 -0.083 0.000 2.357 698 Q HA 0.421 4.760 4.340 -0.001 0.000 0.266 698 Q C -0.009 175.921 176.000 -0.118 0.000 1.021 698 Q CA -0.540 55.140 55.803 -0.204 0.000 0.784 698 Q CB 1.647 30.125 28.738 -0.434 0.000 1.243 698 Q HN 0.781 nan 8.270 nan 0.000 0.465 699 L N 2.056 123.217 121.223 -0.103 0.000 2.093 699 L HA -0.029 4.311 4.340 -0.001 0.000 0.208 699 L C 1.144 177.981 176.870 -0.054 0.000 1.085 699 L CA 1.358 56.158 54.840 -0.066 0.000 0.755 699 L CB -0.347 41.676 42.059 -0.060 0.000 0.904 699 L HN 0.694 nan 8.230 nan 0.000 0.435 700 T N -6.748 107.764 114.554 -0.069 0.000 2.841 700 T HA 0.213 4.562 4.350 -0.001 0.000 0.296 700 T C 0.514 175.180 174.700 -0.057 0.000 1.166 700 T CA -0.854 61.217 62.100 -0.048 0.000 1.007 700 T CB 1.922 70.766 68.868 -0.039 0.000 1.253 700 T HN -0.161 nan 8.240 nan 0.000 0.511 701 Q N 1.093 120.876 119.800 -0.029 0.000 2.118 701 Q HA -0.205 4.135 4.340 -0.001 0.000 0.211 701 Q C 1.902 177.885 176.000 -0.029 0.000 0.998 701 Q CA 2.750 58.542 55.803 -0.018 0.000 0.872 701 Q CB -0.460 28.278 28.738 -0.001 0.000 0.925 701 Q HN 0.939 nan 8.270 nan 0.000 0.414 702 D N 0.098 120.479 120.400 -0.032 0.000 2.120 702 D HA -0.076 4.563 4.640 -0.001 0.000 0.202 702 D C 0.813 177.079 176.300 -0.057 0.000 0.972 702 D CA 0.788 54.769 54.000 -0.031 0.000 0.837 702 D CB -0.550 40.237 40.800 -0.021 0.000 0.989 702 D HN 0.128 nan 8.370 nan 0.000 0.469 703 S N 2.251 117.904 115.700 -0.077 0.000 2.537 703 S HA 0.054 4.523 4.470 -0.001 0.000 0.280 703 S C -2.042 172.461 174.600 -0.161 0.000 1.335 703 S CA -0.837 57.303 58.200 -0.099 0.000 1.025 703 S CB -0.067 63.074 63.200 -0.099 0.000 0.836 703 S HN 0.165 nan 8.310 nan 0.000 0.523 704 P HA 0.159 nan 4.420 nan 0.000 0.274 704 P C -0.714 176.447 177.300 -0.232 0.000 1.246 704 P CA -0.360 62.665 63.100 -0.124 0.000 0.795 704 P CB 0.297 31.977 31.700 -0.034 0.000 1.006 705 H N 0.247 119.305 119.070 -0.020 0.000 2.969 705 H HA 0.181 4.736 4.556 -0.001 0.000 0.269 705 H C -0.136 175.163 175.328 -0.049 0.000 1.223 705 H CA -0.389 55.638 56.048 -0.036 0.000 1.400 705 H CB -0.022 29.720 29.762 -0.032 0.000 1.500 705 H HN 0.087 nan 8.280 nan 0.000 0.486 706 V N 6.819 126.721 119.914 -0.021 0.000 2.479 706 V HA 0.046 4.165 4.120 -0.001 0.000 0.281 706 V C -1.888 174.153 176.094 -0.088 0.000 1.031 706 V CA -1.467 60.804 62.300 -0.047 0.000 1.038 706 V CB 0.528 32.313 31.823 -0.063 0.000 0.981 706 V HN 0.531 nan 8.190 nan 0.000 0.478 707 P HA 0.171 nan 4.420 nan 0.000 0.267 707 P C -0.752 176.412 177.300 -0.227 0.000 1.209 707 P CA 0.246 63.200 63.100 -0.242 0.000 0.763 707 P CB 0.502 31.891 31.700 -0.518 0.000 0.816 708 V N 4.141 123.949 119.914 -0.177 0.000 2.555 708 V HA 0.186 4.305 4.120 -0.001 0.000 0.283 708 V C -0.862 175.137 176.094 -0.157 0.000 1.020 708 V CA -0.404 61.776 62.300 -0.199 0.000 0.883 708 V CB 1.096 32.789 31.823 -0.217 0.000 1.030 708 V HN 0.536 nan 8.190 nan 0.000 0.448 709 H N 4.501 123.412 119.070 -0.265 0.000 2.511 709 H HA 0.662 5.217 4.556 -0.001 0.000 0.328 709 H C -1.125 174.087 175.328 -0.193 0.000 1.044 709 H CA -0.928 55.009 56.048 -0.186 0.000 1.212 709 H CB 0.974 30.665 29.762 -0.118 0.000 1.428 709 H HN 0.387 nan 8.280 nan 0.000 0.483 710 F N 3.862 123.521 119.950 -0.484 0.000 2.399 710 F HA 0.375 4.902 4.527 -0.001 0.000 0.342 710 F C 0.392 175.693 175.800 -0.831 0.000 1.106 710 F CA -0.042 57.634 58.000 -0.540 0.000 1.196 710 F CB 0.901 39.702 39.000 -0.332 0.000 1.163 710 F HN 0.459 nan 8.300 nan 0.000 0.547 711 K N 3.215 123.359 120.400 -0.427 0.000 2.542 711 K HA 0.471 4.791 4.320 -0.001 0.000 0.259 711 K C -2.032 174.302 176.600 -0.443 0.000 0.932 711 K CA -0.551 55.521 56.287 -0.358 0.000 0.820 711 K CB 1.265 33.623 32.500 -0.237 0.000 1.345 711 K HN 0.389 nan 8.250 nan 0.000 0.432 712 F N 4.123 123.993 119.950 -0.133 0.000 2.436 712 F HA 0.488 5.014 4.527 -0.001 0.000 0.340 712 F C -0.350 175.404 175.800 -0.076 0.000 1.113 712 F CA -0.566 57.369 58.000 -0.107 0.000 1.022 712 F CB 1.160 40.082 39.000 -0.130 0.000 1.128 712 F HN 0.249 nan 8.300 nan 0.000 0.466 713 L N 2.806 124.065 121.223 0.061 0.000 2.277 713 L HA 0.649 4.988 4.340 -0.001 0.000 0.254 713 L C -1.083 175.778 176.870 -0.015 0.000 1.044 713 L CA -1.031 53.798 54.840 -0.018 0.000 0.842 713 L CB 2.197 44.184 42.059 -0.120 0.000 1.422 713 L HN 0.489 nan 8.230 nan 0.000 0.422 714 K N -0.498 119.853 120.400 -0.082 0.000 2.427 714 K HA 0.657 4.976 4.320 -0.001 0.000 0.252 714 K C -1.813 174.719 176.600 -0.113 0.000 0.931 714 K CA -0.807 55.461 56.287 -0.031 0.000 0.793 714 K CB 1.776 34.292 32.500 0.026 0.000 1.211 714 K HN 0.258 nan 8.250 nan 0.000 0.426 715 Y N 0.488 120.849 120.300 0.101 0.000 2.419 715 Y HA 0.559 5.109 4.550 -0.001 0.000 0.328 715 Y C 0.949 176.909 175.900 0.099 0.000 1.162 715 Y CA 0.026 58.199 58.100 0.120 0.000 1.174 715 Y CB 2.268 40.867 38.460 0.233 0.000 1.228 715 Y HN 0.926 nan 8.280 nan 0.000 0.473 716 G N 0.302 109.258 108.800 0.259 0.000 3.107 716 G HA2 0.643 4.603 3.960 -0.001 0.000 0.232 716 G HA3 0.643 4.603 3.960 -0.001 0.000 0.232 716 G C -1.545 173.436 174.900 0.134 0.000 1.339 716 G CA -0.759 44.435 45.100 0.157 0.000 1.033 716 G HN 0.434 nan 8.290 nan 0.000 0.567 717 V N -0.155 119.809 119.914 0.082 0.000 2.864 717 V HA 0.479 4.598 4.120 -0.001 0.000 0.314 717 V C -0.019 176.089 176.094 0.024 0.000 1.073 717 V CA -0.882 61.447 62.300 0.049 0.000 0.956 717 V CB 1.939 33.792 31.823 0.049 0.000 1.023 717 V HN 0.685 nan 8.190 nan 0.000 0.435 718 R N 1.251 121.745 120.500 -0.010 0.000 2.543 718 R HA 0.208 4.547 4.340 -0.001 0.000 0.277 718 R C 1.124 177.423 176.300 -0.000 0.000 1.074 718 R CA 0.426 56.508 56.100 -0.030 0.000 1.076 718 R CB 0.587 30.820 30.300 -0.110 0.000 0.993 718 R HN 0.912 nan 8.270 nan 0.000 0.459 719 S N 0.772 116.497 115.700 0.042 0.000 2.524 719 S HA -0.035 4.434 4.470 -0.001 0.000 0.216 719 S C 0.244 174.920 174.600 0.127 0.000 0.987 719 S CA -0.015 58.230 58.200 0.077 0.000 0.909 719 S CB -0.267 62.987 63.200 0.089 0.000 0.781 719 S HN 0.848 nan 8.310 nan 0.000 0.521 720 H N -1.865 117.206 119.070 0.001 0.000 2.930 720 H HA 0.718 5.273 4.556 -0.001 0.000 0.371 720 H C 0.297 175.622 175.328 -0.005 0.000 1.169 720 H CA -0.222 55.825 56.048 -0.002 0.000 1.157 720 H CB 1.232 30.994 29.762 -0.001 0.000 1.789 720 H HN 0.403 nan 8.280 nan 0.000 0.547 721 G N 1.667 110.397 108.800 -0.118 0.000 2.508 721 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.220 721 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.220 721 G C -1.279 173.561 174.900 -0.099 0.000 1.287 721 G CA -0.266 44.734 45.100 -0.166 0.000 0.916 721 G HN 0.850 nan 8.290 nan 0.000 0.574 722 D N 1.122 121.461 120.400 -0.101 0.000 2.302 722 D HA 0.590 5.229 4.640 -0.001 0.000 0.248 722 D C 0.796 177.056 176.300 -0.068 0.000 1.094 722 D CA 0.103 54.060 54.000 -0.071 0.000 0.897 722 D CB 1.082 41.841 40.800 -0.068 0.000 1.200 722 D HN 0.423 nan 8.370 nan 0.000 0.429 723 R N 0.465 120.938 120.500 -0.045 0.000 2.428 723 R HA 0.341 4.681 4.340 -0.001 0.000 0.294 723 R C 0.039 176.326 176.300 -0.022 0.000 1.000 723 R CA -0.459 55.624 56.100 -0.028 0.000 0.960 723 R CB 0.976 31.271 30.300 -0.009 0.000 1.076 723 R HN 0.223 nan 8.270 nan 0.000 0.475 724 S N 0.396 116.095 115.700 -0.002 0.000 2.573 724 S HA 0.506 4.975 4.470 -0.001 0.000 0.277 724 S C 0.405 175.021 174.600 0.027 0.000 1.346 724 S CA 0.362 58.578 58.200 0.027 0.000 1.034 724 S CB 0.954 64.204 63.200 0.084 0.000 0.879 724 S HN 0.739 nan 8.310 nan 0.000 0.528 725 G N -0.179 108.637 108.800 0.026 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 0.539 175.454 174.900 0.026 0.000 1.277 725 G CA -0.116 45.005 45.100 0.034 0.000 0.795 725 G HN 0.709 nan 8.290 nan 0.000 0.528 726 A N -1.260 121.565 122.820 0.007 0.000 1.978 726 A HA 0.039 4.359 4.320 -0.001 0.000 0.220 726 A C 1.907 179.404 177.584 -0.145 0.000 1.170 726 A CA 2.121 54.109 52.037 -0.081 0.000 0.636 726 A CB -0.638 18.254 19.000 -0.179 0.000 0.810 726 A HN 0.603 nan 8.150 nan 0.000 0.448 727 Y N -0.847 119.397 120.300 -0.093 0.000 2.301 727 Y HA 0.338 4.887 4.550 -0.001 0.000 0.295 727 Y C 0.899 176.687 175.900 -0.188 0.000 1.126 727 Y CA 0.035 58.010 58.100 -0.207 0.000 1.154 727 Y CB -0.111 37.883 38.460 -0.775 0.000 1.075 727 Y HN 0.032 nan 8.280 nan 0.000 0.534 728 L N 0.349 121.519 121.223 -0.087 0.000 2.334 728 L HA 0.218 4.557 4.340 -0.001 0.000 0.277 728 L C -1.112 175.803 176.870 0.075 0.000 1.075 728 L CA -0.598 54.198 54.840 -0.073 0.000 0.804 728 L CB 0.921 42.880 42.059 -0.166 0.000 1.174 728 L HN 0.013 nan 8.230 nan 0.000 0.438 729 F N 4.529 124.417 119.950 -0.103 0.000 2.375 729 F HA 0.494 5.021 4.527 -0.001 0.000 0.361 729 F C -0.761 174.958 175.800 -0.135 0.000 1.117 729 F CA -1.176 56.725 58.000 -0.165 0.000 1.037 729 F CB 0.666 39.502 39.000 -0.273 0.000 1.192 729 F HN 0.204 nan 8.300 nan 0.000 0.452 730 L N 9.105 130.213 121.223 -0.192 0.000 2.529 730 L HA 0.323 4.663 4.340 -0.001 0.000 0.246 730 L C -2.335 174.348 176.870 -0.311 0.000 1.394 730 L CA -1.745 52.931 54.840 -0.273 0.000 0.906 730 L CB 1.009 42.995 42.059 -0.121 0.000 1.170 730 L HN 0.390 nan 8.230 nan 0.000 0.501 731 P HA 0.008 nan 4.420 nan 0.000 0.269 731 P C -0.505 176.713 177.300 -0.137 0.000 1.215 731 P CA -0.183 62.724 63.100 -0.321 0.000 0.780 731 P CB 0.582 31.967 31.700 -0.526 0.000 0.898 732 N N 1.031 119.726 118.700 -0.007 0.000 3.209 732 N HA 0.294 5.034 4.740 -0.001 0.000 0.309 732 N C 0.647 176.176 175.510 0.032 0.000 1.384 732 N CA -0.214 52.837 53.050 0.002 0.000 1.173 732 N CB -0.636 37.867 38.487 0.026 0.000 1.460 732 N HN 0.747 nan 8.380 nan 0.000 0.534 733 G N 0.763 109.577 108.800 0.022 0.000 2.592 733 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.684 733 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.684 733 G C -3.091 171.883 174.900 0.124 0.000 1.291 733 G CA -1.140 43.988 45.100 0.046 0.000 0.891 733 G HN 0.339 nan 8.290 nan 0.000 0.544 734 P HA 0.457 nan 4.420 nan 0.000 0.269 734 P C 0.519 177.776 177.300 -0.071 0.000 1.217 734 P CA 0.672 63.828 63.100 0.094 0.000 0.783 734 P CB 0.428 32.151 31.700 0.039 0.000 0.898 735 A N 1.992 124.580 122.820 -0.386 0.000 2.425 735 A HA 0.399 4.719 4.320 -0.001 0.000 0.242 735 A C 0.138 177.571 177.584 -0.253 0.000 1.077 735 A CA 0.303 51.959 52.037 -0.634 0.000 0.781 735 A CB -0.214 18.143 19.000 -1.071 0.000 1.020 735 A HN 0.478 nan 8.150 nan 0.000 0.494 736 S N 2.181 117.773 115.700 -0.180 0.000 2.501 736 S HA 0.594 5.063 4.470 -0.001 0.000 0.301 736 S C -2.728 171.834 174.600 -0.063 0.000 1.096 736 S CA -1.046 57.104 58.200 -0.082 0.000 1.063 736 S CB 1.377 64.551 63.200 -0.043 0.000 1.042 736 S HN 0.564 nan 8.310 nan 0.000 0.494 737 P HA 0.099 nan 4.420 nan 0.000 0.266 737 P C -0.737 176.569 177.300 0.011 0.000 1.195 737 P CA -0.296 62.801 63.100 -0.004 0.000 0.768 737 P CB 0.323 32.031 31.700 0.014 0.000 0.838 738 V N 3.669 123.603 119.914 0.032 0.000 2.637 738 V HA 0.002 4.121 4.120 -0.001 0.000 0.296 738 V C 0.873 176.983 176.094 0.026 0.000 1.046 738 V CA 0.155 62.473 62.300 0.030 0.000 1.066 738 V CB -0.009 31.840 31.823 0.044 0.000 0.968 738 V HN 0.520 nan 8.190 nan 0.000 0.483 739 E N 4.290 124.499 120.200 0.016 0.000 2.217 739 E HA 0.177 4.527 4.350 -0.001 0.000 0.279 739 E C 0.470 177.078 176.600 0.014 0.000 1.068 739 E CA -0.196 56.215 56.400 0.018 0.000 0.882 739 E CB 0.879 30.588 29.700 0.015 0.000 1.039 739 E HN 0.549 nan 8.360 nan 0.000 0.418 740 L N 2.744 123.981 121.223 0.023 0.000 2.375 740 L HA 0.127 4.466 4.340 -0.001 0.000 0.215 740 L C 1.358 178.242 176.870 0.022 0.000 1.108 740 L CA 0.425 55.276 54.840 0.018 0.000 0.830 740 L CB -0.701 41.379 42.059 0.034 0.000 0.959 740 L HN 0.857 nan 8.230 nan 0.000 0.457 741 G N 0.783 109.599 108.800 0.028 0.000 2.547 741 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.271 741 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.271 741 G C -0.024 174.899 174.900 0.038 0.000 1.209 741 G CA 0.191 45.310 45.100 0.031 0.000 0.959 741 G HN 0.347 nan 8.290 nan 0.000 0.563 742 Q N 1.577 121.403 119.800 0.042 0.000 2.644 742 Q HA 0.484 4.823 4.340 -0.001 0.000 0.245 742 Q C -2.085 173.951 176.000 0.060 0.000 1.064 742 Q CA -1.648 54.185 55.803 0.049 0.000 0.860 742 Q CB 1.122 29.886 28.738 0.044 0.000 1.145 742 Q HN 0.633 nan 8.270 nan 0.000 0.515 743 P HA 0.030 nan 4.420 nan 0.000 0.272 743 P C -0.509 176.859 177.300 0.112 0.000 1.223 743 P CA -0.245 62.903 63.100 0.079 0.000 0.784 743 P CB 1.073 32.801 31.700 0.047 0.000 0.923 744 V N 2.508 122.528 119.914 0.176 0.000 2.488 744 V HA 0.122 4.241 4.120 -0.001 0.000 0.277 744 V C 0.538 176.793 176.094 0.268 0.000 1.046 744 V CA -0.246 62.185 62.300 0.217 0.000 0.986 744 V CB 1.212 33.205 31.823 0.283 0.000 0.989 744 V HN 0.271 nan 8.190 nan 0.000 0.475 745 V N 6.418 126.430 119.914 0.164 0.000 2.495 745 V HA 0.483 4.602 4.120 -0.001 0.000 0.298 745 V C -0.405 175.710 176.094 0.036 0.000 1.031 745 V CA -0.635 61.737 62.300 0.121 0.000 0.871 745 V CB 1.681 33.533 31.823 0.049 0.000 0.988 745 V HN 0.671 nan 8.190 nan 0.000 0.432 746 L N 6.566 127.802 121.223 0.022 0.000 2.325 746 L HA 0.748 5.088 4.340 -0.001 0.000 0.281 746 L C -0.672 176.076 176.870 -0.202 0.000 1.004 746 L CA -0.006 54.718 54.840 -0.193 0.000 0.823 746 L CB 1.789 43.629 42.059 -0.364 0.000 1.236 746 L HN 0.441 nan 8.230 nan 0.000 0.415 747 V N 3.996 123.779 119.914 -0.219 0.000 2.409 747 V HA 0.571 4.691 4.120 -0.001 0.000 0.291 747 V C -0.065 175.949 176.094 -0.133 0.000 1.020 747 V CA -0.400 61.795 62.300 -0.174 0.000 0.848 747 V CB 1.655 33.393 31.823 -0.141 0.000 0.990 747 V HN 0.840 nan 8.190 nan 0.000 0.430 748 T N 5.289 119.796 114.554 -0.079 0.000 2.792 748 T HA 0.446 4.795 4.350 -0.001 0.000 0.280 748 T C -0.447 174.277 174.700 0.040 0.000 0.990 748 T CA -0.580 61.530 62.100 0.017 0.000 0.960 748 T CB 1.173 70.090 68.868 0.082 0.000 0.939 748 T HN 0.657 nan 8.240 nan 0.000 0.439 749 K N 2.437 122.878 120.400 0.069 0.000 2.450 749 K HA 0.681 5.000 4.320 -0.001 0.000 0.257 749 K C -0.396 176.263 176.600 0.099 0.000 0.953 749 K CA -0.578 55.752 56.287 0.071 0.000 0.844 749 K CB 1.052 33.586 32.500 0.058 0.000 1.103 749 K HN 0.792 nan 8.250 nan 0.000 0.429 750 G N 2.129 110.985 108.800 0.094 0.000 2.658 750 G HA2 0.170 4.130 3.960 -0.001 0.000 0.292 750 G HA3 0.170 4.130 3.960 -0.001 0.000 0.292 750 G C -0.166 174.781 174.900 0.079 0.000 1.320 750 G CA -0.606 44.552 45.100 0.097 0.000 0.933 750 G HN 0.650 nan 8.290 nan 0.000 0.476 751 K N -0.390 120.053 120.400 0.072 0.000 2.097 751 K HA 0.093 4.413 4.320 -0.001 0.000 0.205 751 K C 1.682 178.320 176.600 0.064 0.000 1.050 751 K CA 1.023 57.349 56.287 0.064 0.000 0.938 751 K CB -0.152 32.383 32.500 0.057 0.000 0.718 751 K HN 0.437 nan 8.250 nan 0.000 0.442 752 L N -0.593 120.670 121.223 0.066 0.000 2.357 752 L HA 0.195 4.535 4.340 -0.001 0.000 0.211 752 L C 0.677 177.584 176.870 0.063 0.000 1.075 752 L CA 0.113 54.992 54.840 0.065 0.000 0.830 752 L CB 0.345 42.446 42.059 0.070 0.000 0.996 752 L HN 0.187 nan 8.230 nan 0.000 0.467 753 E N -0.271 119.971 120.200 0.069 0.000 2.321 753 E HA 0.404 4.753 4.350 -0.001 0.000 0.281 753 E C -1.511 175.134 176.600 0.076 0.000 0.910 753 E CA -0.235 56.206 56.400 0.068 0.000 0.770 753 E CB 2.177 31.917 29.700 0.066 0.000 1.225 753 E HN -0.124 nan 8.360 nan 0.000 0.417 754 S N 1.241 116.983 115.700 0.070 0.000 2.632 754 S HA 0.781 5.251 4.470 -0.001 0.000 0.289 754 S C -1.276 173.349 174.600 0.042 0.000 1.115 754 S CA -0.662 57.574 58.200 0.060 0.000 0.889 754 S CB 1.798 65.035 63.200 0.062 0.000 1.116 754 S HN 0.633 nan 8.310 nan 0.000 0.486 755 S N -0.106 115.595 115.700 0.002 0.000 2.565 755 S HA 0.764 5.233 4.470 -0.001 0.000 0.269 755 S C -1.816 172.691 174.600 -0.156 0.000 1.153 755 S CA -0.696 57.478 58.200 -0.043 0.000 0.835 755 S CB 1.154 64.350 63.200 -0.006 0.000 1.122 755 S HN 0.475 nan 8.310 nan 0.000 0.462 756 V N 2.013 121.776 119.914 -0.252 0.000 2.483 756 V HA 0.712 4.831 4.120 -0.001 0.000 0.297 756 V C -0.514 175.447 176.094 -0.222 0.000 1.027 756 V CA -0.397 61.677 62.300 -0.377 0.000 0.855 756 V CB 1.555 32.820 31.823 -0.930 0.000 0.995 756 V HN 0.985 nan 8.190 nan 0.000 0.424 757 S N 3.244 118.872 115.700 -0.119 0.000 2.513 757 S HA 0.817 5.286 4.470 -0.001 0.000 0.299 757 S C -0.821 173.728 174.600 -0.085 0.000 1.087 757 S CA -0.646 57.501 58.200 -0.089 0.000 1.012 757 S CB 2.194 65.452 63.200 0.096 0.000 1.044 757 S HN 0.676 nan 8.310 nan 0.000 0.485 758 V N 1.779 121.508 119.914 -0.309 0.000 2.808 758 V HA 0.808 4.927 4.120 -0.001 0.000 0.308 758 V C -0.165 175.549 176.094 -0.632 0.000 1.099 758 V CA -0.430 61.693 62.300 -0.295 0.000 0.920 758 V CB 1.869 33.661 31.823 -0.051 0.000 1.014 758 V HN 0.994 nan 8.190 nan 0.000 0.425 759 G N 6.871 115.315 108.800 -0.593 0.000 2.663 759 G HA2 0.543 4.502 3.960 -0.001 0.000 0.320 759 G HA3 0.543 4.502 3.960 -0.001 0.000 0.320 759 G C -0.562 174.217 174.900 -0.201 0.000 0.937 759 G CA -0.336 44.473 45.100 -0.484 0.000 1.332 759 G HN 0.704 nan 8.290 nan 0.000 0.461 760 L N 2.516 123.579 121.223 -0.266 0.000 2.400 760 L HA 0.421 4.761 4.340 -0.001 0.000 0.264 760 L C -2.078 174.671 176.870 -0.201 0.000 1.061 760 L CA -2.382 52.330 54.840 -0.213 0.000 0.799 760 L CB 1.841 43.706 42.059 -0.324 0.000 1.240 760 L HN 0.186 nan 8.230 nan 0.000 0.461 761 P HA 0.089 nan 4.420 nan 0.000 0.267 761 P C 0.045 177.240 177.300 -0.176 0.000 1.209 761 P CA 0.403 63.418 63.100 -0.141 0.000 0.763 761 P CB 1.001 32.646 31.700 -0.092 0.000 0.816 762 S N -0.182 115.419 115.700 -0.165 0.000 2.929 762 S HA -0.114 4.355 4.470 -0.001 0.000 0.271 762 S C 0.185 174.668 174.600 -0.194 0.000 1.295 762 S CA 1.288 59.400 58.200 -0.148 0.000 1.277 762 S CB -1.478 61.660 63.200 -0.103 0.000 1.557 762 S HN 0.399 nan 8.310 nan 0.000 0.666 763 V N 1.214 120.956 119.914 -0.287 0.000 2.655 763 V HA 0.427 4.546 4.120 -0.001 0.000 0.301 763 V C -0.255 175.607 176.094 -0.386 0.000 1.082 763 V CA -0.798 61.288 62.300 -0.357 0.000 0.899 763 V CB 2.103 33.541 31.823 -0.640 0.000 1.014 763 V HN 0.086 nan 8.190 nan 0.000 0.429 764 V N 4.676 124.378 119.914 -0.353 0.000 2.368 764 V HA 0.305 4.424 4.120 -0.001 0.000 0.266 764 V C 0.183 176.068 176.094 -0.349 0.000 1.045 764 V CA -0.302 61.691 62.300 -0.512 0.000 0.899 764 V CB 0.663 32.097 31.823 -0.647 0.000 1.006 764 V HN 0.895 nan 8.190 nan 0.000 0.470 765 H N 5.840 124.651 119.070 -0.431 0.000 2.467 765 H HA 0.508 5.064 4.556 -0.001 0.000 0.326 765 H C -0.693 174.516 175.328 -0.199 0.000 1.094 765 H CA -0.467 55.429 56.048 -0.254 0.000 1.253 765 H CB 1.499 31.140 29.762 -0.202 0.000 1.439 765 H HN 0.695 nan 8.280 nan 0.000 0.479 766 Q N 3.909 123.401 119.800 -0.513 0.000 2.323 766 Q HA 0.301 4.640 4.340 -0.001 0.000 0.271 766 Q C -1.512 174.284 176.000 -0.340 0.000 1.048 766 Q CA -0.849 54.744 55.803 -0.351 0.000 0.792 766 Q CB 2.016 30.654 28.738 -0.166 0.000 1.280 766 Q HN 0.641 nan 8.270 nan 0.000 0.441 767 T N 4.669 119.111 114.554 -0.186 0.000 2.786 767 T HA 0.541 4.891 4.350 -0.001 0.000 0.283 767 T C -0.421 174.305 174.700 0.044 0.000 0.992 767 T CA -0.328 61.776 62.100 0.007 0.000 0.954 767 T CB 0.332 69.367 68.868 0.278 0.000 0.934 767 T HN 0.450 nan 8.240 nan 0.000 0.440 768 I N 3.500 124.109 120.570 0.064 0.000 2.441 768 I HA 0.525 4.695 4.170 -0.001 0.000 0.295 768 I C -0.296 175.876 176.117 0.090 0.000 0.994 768 I CA -0.830 60.508 61.300 0.063 0.000 1.144 768 I CB 1.807 39.834 38.000 0.045 0.000 1.314 768 I HN 0.387 nan 8.210 nan 0.000 0.445 769 M N 5.578 125.231 119.600 0.087 0.000 2.253 769 M HA 0.470 4.949 4.480 -0.001 0.000 0.314 769 M C 0.192 176.534 176.300 0.070 0.000 1.019 769 M CA -0.260 55.094 55.300 0.091 0.000 0.932 769 M CB 2.226 34.895 32.600 0.115 0.000 1.606 769 M HN 0.450 nan 8.290 nan 0.000 0.430 770 R N 1.178 121.714 120.500 0.059 0.000 2.565 770 R HA 0.364 4.704 4.340 -0.001 0.000 0.347 770 R C 0.770 177.098 176.300 0.047 0.000 1.010 770 R CA 0.284 56.413 56.100 0.049 0.000 1.126 770 R CB 1.067 31.389 30.300 0.035 0.000 1.331 770 R HN 1.139 nan 8.270 nan 0.000 0.552 771 G N -0.499 108.331 108.800 0.051 0.000 2.231 771 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.206 771 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.206 771 G C 0.273 175.196 174.900 0.037 0.000 0.996 771 G CA -0.346 44.781 45.100 0.045 0.000 0.645 771 G HN 0.527 nan 8.290 nan 0.000 0.498 772 G N -0.094 108.728 108.800 0.037 0.000 3.259 772 G HA2 0.785 4.744 3.960 -0.001 0.000 0.178 772 G HA3 0.785 4.744 3.960 -0.001 0.000 0.178 772 G C 0.392 175.312 174.900 0.033 0.000 1.129 772 G CA 0.516 45.633 45.100 0.029 0.000 0.816 772 G HN 1.542 nan 8.290 nan 0.000 0.634 773 A N 1.645 124.482 122.820 0.029 0.000 2.546 773 A HA 0.537 4.857 4.320 -0.001 0.000 0.243 773 A C -1.742 175.877 177.584 0.059 0.000 1.063 773 A CA -0.488 51.571 52.037 0.036 0.000 0.757 773 A CB -0.409 18.609 19.000 0.030 0.000 0.991 773 A HN 0.377 nan 8.150 nan 0.000 0.503 774 P HA 0.160 nan 4.420 nan 0.000 0.272 774 P C -0.498 176.871 177.300 0.115 0.000 1.240 774 P CA -0.187 62.976 63.100 0.105 0.000 0.791 774 P CB 0.680 32.464 31.700 0.140 0.000 0.978 775 E N 0.940 121.206 120.200 0.111 0.000 2.183 775 E HA 0.426 4.776 4.350 -0.001 0.000 0.271 775 E C -0.903 175.770 176.600 0.123 0.000 0.919 775 E CA -0.726 55.742 56.400 0.113 0.000 0.781 775 E CB 0.663 30.407 29.700 0.072 0.000 1.140 775 E HN 0.199 nan 8.360 nan 0.000 0.402 776 I N 4.009 124.684 120.570 0.175 0.000 2.404 776 I HA 0.432 4.601 4.170 -0.001 0.000 0.293 776 I C -0.109 176.123 176.117 0.193 0.000 0.992 776 I CA -0.639 60.742 61.300 0.135 0.000 1.149 776 I CB 1.353 39.442 38.000 0.149 0.000 1.315 776 I HN 0.584 nan 8.210 nan 0.000 0.446 777 R N 4.550 125.091 120.500 0.069 0.000 2.513 777 R HA 0.486 4.826 4.340 -0.001 0.000 0.301 777 R C -0.976 175.369 176.300 0.076 0.000 0.968 777 R CA -0.838 55.318 56.100 0.095 0.000 0.872 777 R CB 2.073 32.387 30.300 0.023 0.000 1.177 777 R HN 0.464 nan 8.270 nan 0.000 0.444 778 N N 2.701 121.508 118.700 0.178 0.000 2.443 778 N HA 0.193 4.932 4.740 -0.001 0.000 0.269 778 N C -1.263 174.262 175.510 0.026 0.000 0.985 778 N CA -0.689 52.444 53.050 0.138 0.000 0.921 778 N CB 1.856 40.530 38.487 0.312 0.000 1.195 778 N HN 0.322 nan 8.380 nan 0.000 0.492 779 L N 3.758 124.937 121.223 -0.073 0.000 2.282 779 L HA 0.359 4.699 4.340 -0.001 0.000 0.287 779 L C -0.973 175.829 176.870 -0.114 0.000 1.075 779 L CA -0.465 54.313 54.840 -0.103 0.000 0.839 779 L CB 0.409 42.397 42.059 -0.120 0.000 1.219 779 L HN 0.213 nan 8.230 nan 0.000 0.434 780 V N 4.557 124.408 119.914 -0.105 0.000 2.364 780 V HA 0.356 4.475 4.120 -0.001 0.000 0.272 780 V C -0.372 175.685 176.094 -0.062 0.000 1.036 780 V CA -0.486 61.769 62.300 -0.076 0.000 0.880 780 V CB 1.186 32.997 31.823 -0.020 0.000 0.991 780 V HN 0.672 nan 8.190 nan 0.000 0.460 781 D N 4.119 124.482 120.400 -0.062 0.000 2.408 781 D HA 0.254 4.893 4.640 -0.001 0.000 0.261 781 D C 0.569 176.848 176.300 -0.036 0.000 1.190 781 D CA -0.419 53.556 54.000 -0.043 0.000 0.910 781 D CB 1.341 42.113 40.800 -0.047 0.000 1.097 781 D HN 0.474 nan 8.370 nan 0.000 0.522 782 I N 2.384 122.949 120.570 -0.008 0.000 3.083 782 I HA 0.038 4.207 4.170 -0.001 0.000 0.273 782 I C 1.415 177.530 176.117 -0.004 0.000 1.297 782 I CA 1.066 62.367 61.300 0.002 0.000 1.452 782 I CB -0.242 37.779 38.000 0.034 0.000 1.078 782 I HN 0.604 nan 8.210 nan 0.000 0.484 783 G N 0.950 109.745 108.800 -0.008 0.000 2.651 783 G HA2 -0.463 3.496 3.960 -0.001 0.000 0.315 783 G HA3 -0.463 3.496 3.960 -0.001 0.000 0.315 783 G C 0.617 175.521 174.900 0.006 0.000 1.258 783 G CA 0.615 45.711 45.100 -0.006 0.000 1.002 783 G HN 0.718 nan 8.290 nan 0.000 0.551 784 S N -0.071 115.632 115.700 0.006 0.000 2.561 784 S HA 0.545 5.015 4.470 -0.001 0.000 0.245 784 S C 0.733 175.343 174.600 0.017 0.000 1.001 784 S CA 0.001 58.209 58.200 0.015 0.000 1.002 784 S CB 0.028 63.238 63.200 0.016 0.000 0.805 784 S HN 0.674 nan 8.310 nan 0.000 0.458 785 L N 2.948 124.180 121.223 0.015 0.000 2.536 785 L HA 0.275 4.614 4.340 -0.001 0.000 0.282 785 L C -0.316 176.574 176.870 0.033 0.000 1.174 785 L CA -0.297 54.556 54.840 0.021 0.000 0.989 785 L CB -0.569 41.501 42.059 0.019 0.000 1.311 785 L HN 0.149 nan 8.230 nan 0.000 0.455 786 D N 3.038 123.457 120.400 0.032 0.000 2.399 786 D HA 0.019 4.658 4.640 -0.001 0.000 0.241 786 D C 0.644 176.972 176.300 0.046 0.000 1.133 786 D CA 0.150 54.173 54.000 0.038 0.000 0.890 786 D CB 0.377 41.197 40.800 0.033 0.000 1.201 786 D HN 0.327 nan 8.370 nan 0.000 0.432 787 N N 0.557 119.288 118.700 0.052 0.000 2.714 787 N HA -0.175 4.564 4.740 -0.001 0.000 0.253 787 N C -0.945 174.612 175.510 0.079 0.000 1.024 787 N CA 0.848 53.935 53.050 0.062 0.000 0.726 787 N CB -1.159 37.361 38.487 0.054 0.000 0.908 787 N HN 0.289 nan 8.380 nan 0.000 0.542 788 T N 0.479 115.083 114.554 0.083 0.000 2.916 788 T HA 0.400 4.749 4.350 -0.001 0.000 0.298 788 T C -0.311 174.458 174.700 0.115 0.000 1.031 788 T CA -0.718 61.442 62.100 0.100 0.000 0.993 788 T CB 2.305 71.217 68.868 0.074 0.000 1.045 788 T HN 0.037 nan 8.240 nan 0.000 0.454 789 E N 2.504 122.802 120.200 0.163 0.000 2.191 789 E HA 0.448 4.797 4.350 -0.001 0.000 0.263 789 E C -0.733 175.986 176.600 0.198 0.000 0.881 789 E CA -0.644 55.850 56.400 0.157 0.000 0.757 789 E CB 2.265 32.036 29.700 0.119 0.000 1.147 789 E HN 0.491 nan 8.360 nan 0.000 0.414 790 I N 2.855 123.525 120.570 0.165 0.000 2.342 790 I HA 0.220 4.389 4.170 -0.001 0.000 0.291 790 I C -0.223 176.029 176.117 0.224 0.000 1.010 790 I CA -0.749 60.661 61.300 0.183 0.000 1.308 790 I CB 1.341 39.438 38.000 0.162 0.000 1.400 790 I HN 0.201 nan 8.210 nan 0.000 0.488 791 V N 8.110 128.156 119.914 0.220 0.000 2.628 791 V HA 0.503 4.623 4.120 -0.001 0.000 0.306 791 V C -0.454 175.671 176.094 0.051 0.000 1.045 791 V CA -0.743 61.672 62.300 0.192 0.000 0.905 791 V CB 2.008 34.005 31.823 0.289 0.000 0.997 791 V HN 0.760 nan 8.190 nan 0.000 0.436 792 M N 7.288 126.845 119.600 -0.072 0.000 2.129 792 M HA 0.572 5.051 4.480 -0.001 0.000 0.348 792 M C -0.558 175.590 176.300 -0.253 0.000 1.116 792 M CA -0.395 54.629 55.300 -0.460 0.000 1.022 792 M CB 0.598 32.892 32.600 -0.510 0.000 1.599 792 M HN 0.763 nan 8.290 nan 0.000 0.449 793 R N 4.623 124.961 120.500 -0.270 0.000 2.711 793 R HA 0.719 5.058 4.340 -0.001 0.000 0.284 793 R C -1.973 174.228 176.300 -0.166 0.000 0.968 793 R CA -0.644 55.364 56.100 -0.154 0.000 0.924 793 R CB 1.544 31.772 30.300 -0.120 0.000 1.162 793 R HN 0.824 nan 8.270 nan 0.000 0.465 794 L N 3.123 124.232 121.223 -0.189 0.000 2.313 794 L HA 0.428 4.767 4.340 -0.001 0.000 0.283 794 L C -0.615 176.142 176.870 -0.188 0.000 1.013 794 L CA -0.455 54.201 54.840 -0.307 0.000 0.816 794 L CB 2.008 43.839 42.059 -0.379 0.000 1.236 794 L HN 0.627 nan 8.230 nan 0.000 0.419 795 E N 2.179 122.284 120.200 -0.158 0.000 2.158 795 E HA 0.497 4.847 4.350 -0.001 0.000 0.271 795 E C -0.600 175.944 176.600 -0.094 0.000 0.911 795 E CA -0.458 55.900 56.400 -0.070 0.000 0.767 795 E CB 2.164 31.870 29.700 0.009 0.000 1.120 795 E HN 0.613 nan 8.360 nan 0.000 0.405 796 T N -1.068 113.445 114.554 -0.068 0.000 2.804 796 T HA 0.335 4.684 4.350 -0.001 0.000 0.290 796 T C 0.066 174.791 174.700 0.041 0.000 1.099 796 T CA -0.699 61.342 62.100 -0.100 0.000 1.011 796 T CB 1.095 69.916 68.868 -0.077 0.000 1.291 796 T HN 0.587 nan 8.240 nan 0.000 0.523 797 H N -0.655 118.403 119.070 -0.020 0.000 2.486 797 H HA 0.424 4.979 4.556 -0.001 0.000 0.284 797 H C -0.037 175.289 175.328 -0.004 0.000 1.103 797 H CA -0.564 55.477 56.048 -0.010 0.000 1.089 797 H CB 0.120 29.876 29.762 -0.010 0.000 1.603 797 H HN 0.320 nan 8.280 nan 0.000 0.557 798 I N 1.618 122.251 120.570 0.105 0.000 2.533 798 I HA -0.103 4.066 4.170 -0.001 0.000 0.284 798 I C 0.494 176.653 176.117 0.070 0.000 1.109 798 I CA 0.160 61.503 61.300 0.071 0.000 1.412 798 I CB 0.575 38.607 38.000 0.053 0.000 1.396 798 I HN 0.174 nan 8.210 nan 0.000 0.543 799 D N 4.562 124.998 120.400 0.060 0.000 2.713 799 D HA 0.031 4.670 4.640 -0.001 0.000 0.229 799 D C 1.242 177.581 176.300 0.065 0.000 1.136 799 D CA 0.003 54.034 54.000 0.052 0.000 1.010 799 D CB 0.357 41.180 40.800 0.038 0.000 1.084 799 D HN 0.551 nan 8.370 nan 0.000 0.495 800 S N 0.224 115.970 115.700 0.076 0.000 2.496 800 S HA 0.248 4.717 4.470 -0.001 0.000 0.224 800 S C 1.594 176.247 174.600 0.088 0.000 0.996 800 S CA 0.324 58.583 58.200 0.100 0.000 0.927 800 S CB -0.082 63.190 63.200 0.121 0.000 0.774 800 S HN 0.513 nan 8.310 nan 0.000 0.524 801 G N 3.172 112.012 108.800 0.067 0.000 2.557 801 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.292 801 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.292 801 G C 0.132 175.074 174.900 0.071 0.000 1.162 801 G CA 0.575 45.711 45.100 0.059 0.000 0.964 801 G HN 0.782 nan 8.290 nan 0.000 0.541 802 D N 0.129 120.576 120.400 0.078 0.000 2.440 802 D HA 0.368 5.007 4.640 -0.001 0.000 0.216 802 D C 0.611 176.996 176.300 0.142 0.000 1.150 802 D CA -0.232 53.833 54.000 0.107 0.000 0.832 802 D CB 0.292 41.140 40.800 0.080 0.000 0.992 802 D HN 0.458 nan 8.370 nan 0.000 0.502 803 I N 1.486 122.125 120.570 0.115 0.000 2.412 803 I HA 0.511 4.681 4.170 -0.001 0.000 0.296 803 I C -0.315 175.892 176.117 0.150 0.000 0.987 803 I CA -1.039 60.275 61.300 0.024 0.000 1.180 803 I CB 0.766 38.746 38.000 -0.032 0.000 1.340 803 I HN -0.033 nan 8.210 nan 0.000 0.455 804 F N 4.499 124.270 119.950 -0.297 0.000 2.711 804 F HA 0.694 5.220 4.527 -0.001 0.000 0.313 804 F C -2.042 173.407 175.800 -0.585 0.000 1.141 804 F CA -1.412 56.440 58.000 -0.247 0.000 0.941 804 F CB 1.193 40.117 39.000 -0.128 0.000 1.349 804 F HN 0.187 nan 8.300 nan 0.000 0.464 805 Y N -0.026 120.044 120.300 -0.383 0.000 2.462 805 Y HA 0.690 5.240 4.550 -0.001 0.000 0.346 805 Y C 0.002 175.722 175.900 -0.300 0.000 0.976 805 Y CA -0.709 57.027 58.100 -0.605 0.000 1.044 805 Y CB 2.472 40.148 38.460 -1.307 0.000 1.230 805 Y HN 0.896 nan 8.280 nan 0.000 0.455 806 T N -1.347 113.126 114.554 -0.135 0.000 2.896 806 T HA 0.476 4.825 4.350 -0.001 0.000 0.297 806 T C -1.110 173.401 174.700 -0.314 0.000 1.108 806 T CA -1.073 60.969 62.100 -0.096 0.000 1.004 806 T CB 2.047 70.834 68.868 -0.136 0.000 1.159 806 T HN 0.591 nan 8.240 nan 0.000 0.499 807 D N 1.220 121.280 120.400 -0.568 0.000 2.340 807 D HA 0.376 5.016 4.640 -0.001 0.000 0.251 807 D C -0.612 175.415 176.300 -0.456 0.000 1.080 807 D CA -0.811 52.660 54.000 -0.881 0.000 0.971 807 D CB 1.290 41.309 40.800 -1.302 0.000 1.137 807 D HN 0.560 nan 8.370 nan 0.000 0.475 808 L N 0.910 121.906 121.223 -0.378 0.000 2.316 808 L HA 0.218 4.558 4.340 -0.001 0.000 0.280 808 L C -0.124 176.623 176.870 -0.205 0.000 1.006 808 L CA -0.800 53.915 54.840 -0.209 0.000 0.836 808 L CB 0.504 42.503 42.059 -0.099 0.000 1.221 808 L HN 0.453 nan 8.230 nan 0.000 0.418 809 N N 2.092 120.679 118.700 -0.187 0.000 2.693 809 N HA -0.234 4.505 4.740 -0.001 0.000 0.249 809 N C 0.988 176.293 175.510 -0.343 0.000 1.119 809 N CA 0.912 53.849 53.050 -0.188 0.000 0.717 809 N CB -1.059 37.394 38.487 -0.057 0.000 1.071 809 N HN 1.081 nan 8.380 nan 0.000 0.555 810 G N -1.642 106.959 108.800 -0.332 0.000 2.166 810 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.260 810 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.260 810 G C 0.625 175.504 174.900 -0.035 0.000 0.986 810 G CA 0.675 45.608 45.100 -0.278 0.000 0.683 810 G HN 0.483 nan 8.290 nan 0.000 0.527 811 L N -0.414 120.725 121.223 -0.141 0.000 2.467 811 L HA 0.496 4.836 4.340 -0.001 0.000 0.213 811 L C 0.995 177.739 176.870 -0.210 0.000 1.053 811 L CA 1.979 56.642 54.840 -0.294 0.000 0.847 811 L CB 0.143 41.885 42.059 -0.529 0.000 1.075 811 L HN 0.713 nan 8.230 nan 0.000 0.479 812 Q N -1.876 117.806 119.800 -0.195 0.000 2.522 812 Q HA 0.344 4.683 4.340 -0.001 0.000 0.285 812 Q C -1.680 174.196 176.000 -0.206 0.000 0.982 812 Q CA -0.741 55.012 55.803 -0.083 0.000 0.805 812 Q CB 1.041 29.790 28.738 0.018 0.000 1.457 812 Q HN -0.049 nan 8.270 nan 0.000 0.394 813 F N 1.272 121.179 119.950 -0.071 0.000 2.436 813 F HA 0.595 5.121 4.527 -0.001 0.000 0.340 813 F C -0.141 175.620 175.800 -0.064 0.000 1.113 813 F CA -0.823 57.145 58.000 -0.053 0.000 1.022 813 F CB 1.636 40.648 39.000 0.021 0.000 1.128 813 F HN 0.531 nan 8.300 nan 0.000 0.466 814 I N 3.730 124.291 120.570 -0.016 0.000 2.493 814 I HA 0.332 4.502 4.170 -0.001 0.000 0.298 814 I C -0.466 175.502 176.117 -0.247 0.000 0.998 814 I CA -0.885 60.361 61.300 -0.090 0.000 1.137 814 I CB 1.273 39.171 38.000 -0.170 0.000 1.310 814 I HN 0.501 nan 8.210 nan 0.000 0.445 815 K N 6.688 126.902 120.400 -0.309 0.000 2.368 815 K HA 0.268 4.587 4.320 -0.001 0.000 0.282 815 K C -0.857 175.287 176.600 -0.760 0.000 1.035 815 K CA -0.377 55.451 56.287 -0.765 0.000 0.973 815 K CB 0.506 32.706 32.500 -0.500 0.000 0.957 815 K HN 0.498 nan 8.250 nan 0.000 0.474 816 R N 3.237 123.102 120.500 -1.058 0.000 2.664 816 R HA 0.358 4.697 4.340 -0.001 0.000 0.286 816 R C -0.530 175.268 176.300 -0.837 0.000 0.967 816 R CA -0.802 54.619 56.100 -1.132 0.000 0.933 816 R CB 1.561 30.661 30.300 -2.000 0.000 1.146 816 R HN 0.664 nan 8.270 nan 0.000 0.468 817 R N 1.492 121.722 120.500 -0.450 0.000 2.476 817 R HA 0.300 4.639 4.340 -0.001 0.000 0.305 817 R C -0.538 175.803 176.300 0.069 0.000 0.965 817 R CA -0.680 55.331 56.100 -0.148 0.000 0.867 817 R CB 1.519 31.772 30.300 -0.079 0.000 1.176 817 R HN 0.549 nan 8.270 nan 0.000 0.447 818 R N 4.592 125.239 120.500 0.245 0.000 2.489 818 R HA 0.137 4.477 4.340 -0.001 0.000 0.287 818 R C -0.901 175.487 176.300 0.146 0.000 1.053 818 R CA 0.185 56.463 56.100 0.297 0.000 1.036 818 R CB 0.436 30.892 30.300 0.260 0.000 0.966 818 R HN 0.534 nan 8.270 nan 0.000 0.432 819 L N 4.897 126.185 121.223 0.109 0.000 2.316 819 L HA 0.226 4.565 4.340 -0.001 0.000 0.280 819 L C 0.105 176.971 176.870 -0.006 0.000 1.006 819 L CA -0.698 54.163 54.840 0.034 0.000 0.836 819 L CB 1.946 43.998 42.059 -0.012 0.000 1.221 819 L HN 0.685 nan 8.230 nan 0.000 0.418 820 D N 1.660 122.063 120.400 0.005 0.000 2.348 820 D HA -0.121 4.518 4.640 -0.001 0.000 0.216 820 D C 1.719 178.003 176.300 -0.027 0.000 0.970 820 D CA 0.829 54.826 54.000 -0.006 0.000 0.889 820 D CB 0.354 41.160 40.800 0.010 0.000 0.912 820 D HN 0.557 nan 8.370 nan 0.000 0.524 821 K N 0.259 120.636 120.400 -0.039 0.000 2.504 821 K HA 0.008 4.327 4.320 -0.001 0.000 0.195 821 K C 0.644 177.183 176.600 -0.101 0.000 1.036 821 K CA 0.342 56.603 56.287 -0.044 0.000 0.984 821 K CB 0.307 32.796 32.500 -0.019 0.000 0.788 821 K HN 0.111 nan 8.250 nan 0.000 0.488 822 L N 2.189 123.316 121.223 -0.160 0.000 2.330 822 L HA 0.466 4.806 4.340 -0.001 0.000 0.271 822 L C -2.260 174.503 176.870 -0.179 0.000 1.013 822 L CA -2.933 51.768 54.840 -0.232 0.000 0.816 822 L CB 1.523 43.344 42.059 -0.396 0.000 1.287 822 L HN -0.050 nan 8.230 nan 0.000 0.435 823 P HA 0.030 nan 4.420 nan 0.000 0.272 823 P C 0.859 178.029 177.300 -0.216 0.000 1.240 823 P CA -0.375 62.625 63.100 -0.167 0.000 0.791 823 P CB 1.269 32.894 31.700 -0.125 0.000 0.978 824 L N 1.000 122.127 121.223 -0.161 0.000 2.021 824 L HA -0.287 4.052 4.340 -0.001 0.000 0.215 824 L C 2.540 179.317 176.870 -0.155 0.000 1.074 824 L CA 1.985 56.752 54.840 -0.121 0.000 0.760 824 L CB -0.645 41.343 42.059 -0.118 0.000 0.889 824 L HN 0.444 nan 8.230 nan 0.000 0.433 825 Q N -0.295 119.302 119.800 -0.337 0.000 2.291 825 Q HA -0.184 4.155 4.340 -0.001 0.000 0.206 825 Q C 1.873 177.769 176.000 -0.174 0.000 0.976 825 Q CA 1.567 57.208 55.803 -0.271 0.000 0.875 825 Q CB -0.549 27.955 28.738 -0.390 0.000 0.927 825 Q HN 0.615 nan 8.270 nan 0.000 0.450 826 A N 1.486 123.982 122.820 -0.540 0.000 2.067 826 A HA -0.044 4.275 4.320 -0.001 0.000 0.217 826 A C 1.622 179.021 177.584 -0.307 0.000 1.156 826 A CA 0.755 52.323 52.037 -0.782 0.000 0.683 826 A CB -0.198 17.951 19.000 -1.419 0.000 0.808 826 A HN 0.356 nan 8.150 nan 0.000 0.455 827 N N -1.114 117.521 118.700 -0.109 0.000 2.398 827 N HA 0.052 4.792 4.740 -0.001 0.000 0.188 827 N C -0.885 174.721 175.510 0.159 0.000 1.122 827 N CA 0.231 53.334 53.050 0.088 0.000 0.866 827 N CB 0.063 38.651 38.487 0.169 0.000 0.970 827 N HN 0.453 nan 8.380 nan 0.000 0.462 828 Y N 0.192 120.446 120.300 -0.077 0.000 2.308 828 Y HA 0.238 4.788 4.550 -0.001 0.000 0.329 828 Y C -0.209 175.636 175.900 -0.093 0.000 1.111 828 Y CA -0.290 57.851 58.100 0.067 0.000 1.179 828 Y CB 0.454 39.023 38.460 0.182 0.000 1.201 828 Y HN -0.072 nan 8.280 nan 0.000 0.483 829 Y N 3.177 123.608 120.300 0.218 0.000 2.605 829 Y HA 0.469 5.019 4.550 -0.001 0.000 0.343 829 Y C -2.323 173.279 175.900 -0.497 0.000 1.036 829 Y CA -2.882 55.207 58.100 -0.019 0.000 1.065 829 Y CB 1.549 39.991 38.460 -0.029 0.000 1.288 829 Y HN 0.439 nan 8.280 nan 0.000 0.481 830 P HA 0.157 nan 4.420 nan 0.000 0.271 830 P C -0.699 176.357 177.300 -0.407 0.000 1.216 830 P CA 0.181 62.691 63.100 -0.982 0.000 0.776 830 P CB 0.564 31.584 31.700 -1.134 0.000 0.881 831 I N 5.217 125.631 120.570 -0.260 0.000 2.620 831 I HA 0.167 4.336 4.170 -0.001 0.000 0.280 831 I C -1.654 174.390 176.117 -0.122 0.000 1.143 831 I CA -2.455 58.766 61.300 -0.132 0.000 1.163 831 I CB 0.843 38.823 38.000 -0.033 0.000 1.461 831 I HN 0.205 nan 8.210 nan 0.000 0.530 832 P HA -0.053 nan 4.420 nan 0.000 0.223 832 P C 0.978 178.247 177.300 -0.052 0.000 1.151 832 P CA 1.141 64.168 63.100 -0.122 0.000 0.787 832 P CB 0.613 32.213 31.700 -0.167 0.000 0.788 833 S N -3.505 112.169 115.700 -0.042 0.000 2.551 833 S HA 0.452 4.921 4.470 -0.001 0.000 0.276 833 S C 0.535 175.224 174.600 0.147 0.000 1.051 833 S CA 0.292 58.524 58.200 0.053 0.000 1.377 833 S CB 0.304 63.555 63.200 0.085 0.000 1.208 833 S HN 0.332 nan 8.310 nan 0.000 0.656 834 G N 1.545 110.438 108.800 0.154 0.000 2.489 834 G HA2 0.561 4.521 3.960 -0.001 0.000 0.291 834 G HA3 0.561 4.521 3.960 -0.001 0.000 0.291 834 G C -1.477 173.683 174.900 0.433 0.000 1.487 834 G CA -0.432 44.889 45.100 0.367 0.000 0.795 834 G HN 0.891 nan 8.290 nan 0.000 0.513 835 M N -0.607 119.262 119.600 0.448 0.000 2.578 835 M HA 0.892 5.371 4.480 -0.001 0.000 0.276 835 M C -1.693 174.847 176.300 0.400 0.000 1.245 835 M CA -1.029 54.494 55.300 0.372 0.000 0.871 835 M CB 2.542 35.268 32.600 0.210 0.000 1.722 835 M HN 1.212 nan 8.290 nan 0.000 0.473 836 F N 0.753 120.850 119.950 0.246 0.000 2.668 836 F HA 0.905 5.431 4.527 -0.001 0.000 0.309 836 F C -1.846 174.088 175.800 0.224 0.000 1.117 836 F CA -1.212 56.871 58.000 0.137 0.000 0.951 836 F CB 1.096 40.086 39.000 -0.016 0.000 1.323 836 F HN 0.778 nan 8.300 nan 0.000 0.451 837 I N -0.163 120.656 120.570 0.415 0.000 2.785 837 I HA 0.893 5.063 4.170 -0.001 0.000 0.302 837 I C -1.382 174.924 176.117 0.316 0.000 1.069 837 I CA -0.905 60.597 61.300 0.337 0.000 1.045 837 I CB 2.405 40.515 38.000 0.184 0.000 1.236 837 I HN 0.947 nan 8.210 nan 0.000 0.429 838 E N 2.020 122.390 120.200 0.283 0.000 2.423 838 E HA 0.566 4.915 4.350 -0.001 0.000 0.280 838 E C -2.059 174.626 176.600 0.140 0.000 1.030 838 E CA -0.851 55.655 56.400 0.176 0.000 0.812 838 E CB 2.215 32.006 29.700 0.152 0.000 1.313 838 E HN 0.736 nan 8.360 nan 0.000 0.456 839 D N 0.419 120.870 120.400 0.085 0.000 2.784 839 D HA 0.467 5.107 4.640 -0.001 0.000 0.256 839 D C 0.843 177.172 176.300 0.048 0.000 1.129 839 D CA -0.204 53.838 54.000 0.071 0.000 1.102 839 D CB 0.037 40.870 40.800 0.056 0.000 1.330 839 D HN 0.450 nan 8.370 nan 0.000 0.626 840 A N -0.730 122.112 122.820 0.036 0.000 1.972 840 A HA -0.152 4.167 4.320 -0.001 0.000 0.219 840 A C 1.483 179.071 177.584 0.007 0.000 1.169 840 A CA 1.528 53.578 52.037 0.022 0.000 0.635 840 A CB -0.714 18.298 19.000 0.019 0.000 0.810 840 A HN 0.509 nan 8.150 nan 0.000 0.446 841 N N -1.754 116.949 118.700 0.006 0.000 2.397 841 N HA 0.075 4.814 4.740 -0.001 0.000 0.190 841 N C -0.407 175.093 175.510 -0.017 0.000 1.099 841 N CA 0.716 53.762 53.050 -0.007 0.000 0.876 841 N CB 0.648 39.133 38.487 -0.004 0.000 1.143 841 N HN 0.304 nan 8.380 nan 0.000 0.468 842 T N 0.509 115.058 114.554 -0.008 0.000 2.893 842 T HA 0.465 4.814 4.350 -0.001 0.000 0.293 842 T C -0.590 174.102 174.700 -0.015 0.000 1.027 842 T CA -0.650 61.439 62.100 -0.019 0.000 0.988 842 T CB 2.851 71.714 68.868 -0.008 0.000 1.043 842 T HN -0.052 nan 8.240 nan 0.000 0.461 843 R N 1.859 122.333 120.500 -0.044 0.000 2.686 843 R HA 0.711 5.050 4.340 -0.001 0.000 0.283 843 R C -1.985 174.288 176.300 -0.046 0.000 0.978 843 R CA -0.884 55.188 56.100 -0.046 0.000 0.897 843 R CB 1.298 31.505 30.300 -0.155 0.000 1.192 843 R HN 0.453 nan 8.270 nan 0.000 0.457 844 L N 2.760 123.986 121.223 0.006 0.000 2.349 844 L HA 0.512 4.851 4.340 -0.001 0.000 0.278 844 L C -1.325 175.580 176.870 0.059 0.000 0.996 844 L CA 0.095 54.934 54.840 -0.002 0.000 0.825 844 L CB 2.250 44.297 42.059 -0.019 0.000 1.243 844 L HN 0.638 nan 8.230 nan 0.000 0.412 845 T N 5.746 120.315 114.554 0.024 0.000 2.824 845 T HA 0.549 4.898 4.350 -0.001 0.000 0.282 845 T C -1.110 173.649 174.700 0.099 0.000 0.993 845 T CA -0.271 61.881 62.100 0.087 0.000 0.967 845 T CB 1.386 70.234 68.868 -0.035 0.000 0.960 845 T HN 0.448 nan 8.240 nan 0.000 0.441 846 L N 5.280 126.598 121.223 0.159 0.000 2.294 846 L HA 0.539 4.878 4.340 -0.001 0.000 0.283 846 L C -1.257 175.755 176.870 0.237 0.000 1.015 846 L CA -0.698 54.246 54.840 0.174 0.000 0.831 846 L CB 0.471 42.614 42.059 0.139 0.000 1.217 846 L HN 0.415 nan 8.230 nan 0.000 0.420 847 L N 3.811 125.175 121.223 0.234 0.000 2.343 847 L HA 0.645 4.984 4.340 -0.001 0.000 0.275 847 L C 0.538 177.553 176.870 0.240 0.000 1.056 847 L CA -0.250 54.726 54.840 0.227 0.000 0.804 847 L CB 1.445 43.603 42.059 0.165 0.000 1.203 847 L HN 0.764 nan 8.230 nan 0.000 0.440 848 T N -2.459 112.188 114.554 0.156 0.000 2.887 848 T HA 0.603 4.953 4.350 -0.001 0.000 0.288 848 T C 0.666 175.321 174.700 -0.074 0.000 1.021 848 T CA -0.314 61.787 62.100 0.002 0.000 1.000 848 T CB 1.925 70.803 68.868 0.017 0.000 1.034 848 T HN 0.680 nan 8.240 nan 0.000 0.467 849 G N 1.300 109.981 108.800 -0.199 0.000 3.284 849 G HA2 0.416 4.376 3.960 -0.001 0.000 0.236 849 G HA3 0.416 4.376 3.960 -0.001 0.000 0.236 849 G C 0.165 174.999 174.900 -0.110 0.000 1.158 849 G CA -0.303 44.716 45.100 -0.134 0.000 0.774 849 G HN 0.960 nan 8.290 nan 0.000 0.545 850 Q N -0.204 119.526 119.800 -0.116 0.000 2.479 850 Q HA 0.295 4.635 4.340 -0.001 0.000 0.276 850 Q C -3.536 172.427 176.000 -0.060 0.000 0.989 850 Q CA -2.287 53.477 55.803 -0.065 0.000 0.864 850 Q CB 1.787 30.508 28.738 -0.029 0.000 1.444 850 Q HN -0.005 nan 8.270 nan 0.000 0.388 851 P HA 0.452 nan 4.420 nan 0.000 0.281 851 P C -0.699 176.590 177.300 -0.019 0.000 1.252 851 P CA -0.144 62.940 63.100 -0.027 0.000 0.778 851 P CB 0.985 32.675 31.700 -0.016 0.000 0.895 852 L N 1.731 122.936 121.223 -0.030 0.000 2.403 852 L HA 0.679 5.018 4.340 -0.001 0.000 0.253 852 L C 0.780 177.664 176.870 0.024 0.000 1.045 852 L CA -1.124 53.721 54.840 0.008 0.000 0.845 852 L CB 2.114 44.165 42.059 -0.014 0.000 1.447 852 L HN 0.341 nan 8.230 nan 0.000 0.411 853 G N -0.986 107.884 108.800 0.117 0.000 2.425 853 G HA2 0.682 4.642 3.960 -0.001 0.000 0.302 853 G HA3 0.682 4.642 3.960 -0.001 0.000 0.302 853 G C -0.509 174.414 174.900 0.038 0.000 1.159 853 G CA 0.098 45.316 45.100 0.197 0.000 0.865 853 G HN 0.872 nan 8.290 nan 0.000 0.515 854 G N -1.502 107.131 108.800 -0.279 0.000 2.550 854 G HA2 0.685 4.645 3.960 -0.001 0.000 0.293 854 G HA3 0.685 4.645 3.960 -0.001 0.000 0.293 854 G C -1.139 173.291 174.900 -0.784 0.000 1.402 854 G CA 0.488 45.225 45.100 -0.604 0.000 0.784 854 G HN 1.331 nan 8.290 nan 0.000 0.482 855 S N -1.965 113.357 115.700 -0.630 0.000 2.683 855 S HA 0.714 5.184 4.470 -0.001 0.000 0.269 855 S C -1.632 172.518 174.600 -0.751 0.000 1.165 855 S CA 0.385 58.211 58.200 -0.623 0.000 0.840 855 S CB 1.206 64.106 63.200 -0.500 0.000 1.169 855 S HN 1.602 nan 8.310 nan 0.000 0.490 856 S N 1.545 116.533 115.700 -1.186 0.000 2.664 856 S HA 0.482 4.952 4.470 -0.001 0.000 0.262 856 S C 0.092 174.427 174.600 -0.442 0.000 1.229 856 S CA -0.624 57.120 58.200 -0.760 0.000 1.151 856 S CB 0.011 62.684 63.200 -0.879 0.000 1.054 856 S HN 0.569 nan 8.310 nan 0.000 0.483 857 L N 3.025 124.137 121.223 -0.185 0.000 2.558 857 L HA 0.500 4.839 4.340 -0.001 0.000 0.225 857 L C 0.856 177.716 176.870 -0.016 0.000 1.128 857 L CA 0.267 55.080 54.840 -0.045 0.000 0.868 857 L CB 0.013 42.105 42.059 0.056 0.000 1.006 857 L HN 0.689 nan 8.230 nan 0.000 0.454 858 A N -1.177 121.621 122.820 -0.037 0.000 2.604 858 A HA 0.451 4.770 4.320 -0.001 0.000 0.295 858 A C -0.438 177.142 177.584 -0.007 0.000 1.067 858 A CA -0.441 51.592 52.037 -0.006 0.000 0.683 858 A CB 1.222 20.226 19.000 0.006 0.000 1.281 858 A HN -0.137 nan 8.150 nan 0.000 0.407 859 S N -0.036 115.674 115.700 0.017 0.000 2.558 859 S HA 0.395 4.864 4.470 -0.001 0.000 0.293 859 S C 1.539 176.156 174.600 0.029 0.000 1.292 859 S CA 1.925 60.143 58.200 0.029 0.000 1.063 859 S CB -0.048 63.173 63.200 0.035 0.000 0.831 859 S HN 2.660 nan 8.310 nan 0.000 0.499 860 G N 3.391 112.211 108.800 0.034 0.000 2.179 860 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.260 860 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.260 860 G C -0.156 174.742 174.900 -0.005 0.000 0.977 860 G CA 0.503 45.623 45.100 0.033 0.000 0.641 860 G HN 0.722 nan 8.290 nan 0.000 0.533 861 E N -0.567 119.614 120.200 -0.030 0.000 2.222 861 E HA 0.792 5.141 4.350 -0.001 0.000 0.267 861 E C -0.224 176.312 176.600 -0.106 0.000 0.963 861 E CA -0.763 55.596 56.400 -0.068 0.000 0.837 861 E CB 1.835 31.494 29.700 -0.068 0.000 1.183 861 E HN 0.233 nan 8.360 nan 0.000 0.403 862 L N 1.560 122.714 121.223 -0.115 0.000 2.422 862 L HA 0.466 4.805 4.340 -0.001 0.000 0.264 862 L C -0.780 176.017 176.870 -0.121 0.000 0.984 862 L CA -0.630 54.133 54.840 -0.129 0.000 0.819 862 L CB 2.111 44.125 42.059 -0.076 0.000 1.330 862 L HN 0.675 nan 8.230 nan 0.000 0.410 863 E N 3.001 123.122 120.200 -0.131 0.000 2.366 863 E HA 0.696 5.046 4.350 -0.001 0.000 0.278 863 E C -1.610 174.944 176.600 -0.076 0.000 0.923 863 E CA -0.829 55.526 56.400 -0.075 0.000 0.761 863 E CB 3.339 33.041 29.700 0.003 0.000 1.231 863 E HN 0.533 nan 8.360 nan 0.000 0.443 864 I N 2.323 122.886 120.570 -0.012 0.000 2.607 864 I HA 0.328 4.497 4.170 -0.001 0.000 0.290 864 I C -1.402 174.778 176.117 0.106 0.000 1.129 864 I CA -1.149 60.166 61.300 0.025 0.000 1.042 864 I CB 1.957 39.976 38.000 0.031 0.000 1.242 864 I HN 0.790 nan 8.210 nan 0.000 0.421 865 M N 6.318 126.018 119.600 0.166 0.000 2.228 865 M HA 0.215 4.694 4.480 -0.001 0.000 0.351 865 M C 0.570 176.965 176.300 0.159 0.000 1.233 865 M CA 0.615 56.020 55.300 0.174 0.000 1.129 865 M CB 0.915 33.590 32.600 0.125 0.000 1.604 865 M HN 0.575 nan 8.290 nan 0.000 0.457 866 Q N 1.472 121.400 119.800 0.214 0.000 2.304 866 Q HA 0.253 4.592 4.340 -0.001 0.000 0.204 866 Q C -0.255 175.950 176.000 0.342 0.000 0.936 866 Q CA 0.834 56.829 55.803 0.321 0.000 0.878 866 Q CB 0.388 29.345 28.738 0.366 0.000 0.983 866 Q HN 0.763 nan 8.270 nan 0.000 0.516 867 D N -0.943 119.589 120.400 0.221 0.000 2.710 867 D HA 0.275 4.914 4.640 -0.001 0.000 0.276 867 D C -1.433 174.938 176.300 0.118 0.000 1.267 867 D CA -0.471 53.636 54.000 0.179 0.000 0.772 867 D CB 1.442 42.338 40.800 0.160 0.000 1.299 867 D HN 0.043 nan 8.370 nan 0.000 0.421 868 R N 0.817 121.376 120.500 0.098 0.000 2.584 868 R HA 0.685 5.024 4.340 -0.001 0.000 0.276 868 R C -1.065 175.280 176.300 0.075 0.000 1.046 868 R CA -1.049 55.093 56.100 0.070 0.000 0.906 868 R CB 2.155 32.468 30.300 0.022 0.000 1.215 868 R HN 0.311 nan 8.270 nan 0.000 0.449 869 R N 3.820 124.363 120.500 0.070 0.000 2.451 869 R HA 0.481 4.821 4.340 -0.001 0.000 0.307 869 R C -1.487 174.849 176.300 0.060 0.000 0.965 869 R CA -0.590 55.548 56.100 0.064 0.000 0.865 869 R CB 1.300 31.634 30.300 0.057 0.000 1.174 869 R HN 0.715 nan 8.270 nan 0.000 0.455 870 L N 3.874 125.131 121.223 0.056 0.000 2.409 870 L HA 0.527 4.867 4.340 -0.001 0.000 0.272 870 L C 0.723 177.620 176.870 0.045 0.000 0.980 870 L CA -0.577 54.294 54.840 0.052 0.000 0.826 870 L CB 2.158 44.248 42.059 0.052 0.000 1.268 870 L HN 0.796 nan 8.230 nan 0.000 0.407 871 A N 1.550 124.394 122.820 0.040 0.000 2.016 871 A HA 0.142 4.461 4.320 -0.001 0.000 0.217 871 A C 0.955 178.558 177.584 0.030 0.000 1.162 871 A CA 0.707 52.764 52.037 0.034 0.000 0.662 871 A CB -0.009 19.009 19.000 0.030 0.000 0.812 871 A HN 0.624 nan 8.150 nan 0.000 0.450 872 S N -0.132 115.586 115.700 0.030 0.000 2.651 872 S HA 0.425 4.895 4.470 -0.001 0.000 0.291 872 S C -0.638 173.980 174.600 0.030 0.000 1.141 872 S CA -0.668 57.547 58.200 0.025 0.000 1.027 872 S CB 1.475 64.686 63.200 0.018 0.000 1.043 872 S HN 0.473 nan 8.310 nan 0.000 0.530 873 D N 0.287 120.704 120.400 0.028 0.000 2.304 873 D HA 0.232 4.871 4.640 -0.001 0.000 0.247 873 D C -0.168 176.147 176.300 0.025 0.000 1.089 873 D CA -0.426 53.598 54.000 0.040 0.000 0.910 873 D CB 0.687 41.509 40.800 0.037 0.000 1.199 873 D HN 0.500 nan 8.370 nan 0.000 0.426 874 D N 2.029 122.448 120.400 0.032 0.000 2.525 874 D HA 0.059 4.698 4.640 -0.001 0.000 0.229 874 D C -0.350 175.911 176.300 -0.064 0.000 1.202 874 D CA -0.275 53.712 54.000 -0.022 0.000 0.828 874 D CB -0.428 40.346 40.800 -0.043 0.000 1.008 874 D HN 0.660 nan 8.370 nan 0.000 0.493 875 E N -0.200 119.988 120.200 -0.021 0.000 2.791 875 E HA -0.226 4.123 4.350 -0.001 0.000 0.271 875 E C 0.228 176.796 176.600 -0.053 0.000 1.044 875 E CA 0.221 56.607 56.400 -0.024 0.000 0.814 875 E CB -0.751 28.931 29.700 -0.031 0.000 1.400 875 E HN 0.255 nan 8.360 nan 0.000 0.423 876 R N -0.556 119.887 120.500 -0.095 0.000 2.509 876 R HA 0.205 4.544 4.340 -0.001 0.000 0.300 876 R C 1.392 177.754 176.300 0.104 0.000 0.985 876 R CA 0.653 56.626 56.100 -0.213 0.000 1.092 876 R CB 0.931 30.683 30.300 -0.913 0.000 1.237 876 R HN 0.412 nan 8.270 nan 0.000 0.546 877 G N 0.816 109.753 108.800 0.228 0.000 2.195 877 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.224 877 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.224 877 G C 0.765 175.777 174.900 0.187 0.000 0.990 877 G CA 0.264 45.575 45.100 0.353 0.000 0.639 877 G HN 0.311 nan 8.290 nan 0.000 0.514 878 L N 1.399 122.833 121.223 0.352 0.000 2.093 878 L HA 0.435 4.775 4.340 -0.001 0.000 0.208 878 L C 2.236 179.095 176.870 -0.018 0.000 1.085 878 L CA 2.853 57.789 54.840 0.160 0.000 0.755 878 L CB -0.624 41.667 42.059 0.387 0.000 0.904 878 L HN 1.734 nan 8.230 nan 0.000 0.435 879 G N -0.585 108.236 108.800 0.035 0.000 2.160 879 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.251 879 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.251 879 G C 0.076 174.981 174.900 0.008 0.000 1.008 879 G CA 0.635 45.735 45.100 0.000 0.000 0.724 879 G HN 0.797 nan 8.290 nan 0.000 0.514 880 Q N -2.018 117.802 119.800 0.034 0.000 2.633 880 Q HA 0.681 5.020 4.340 -0.001 0.000 0.289 880 Q C 0.372 176.400 176.000 0.047 0.000 0.940 880 Q CA -0.629 55.194 55.803 0.032 0.000 0.785 880 Q CB 0.486 29.241 28.738 0.029 0.000 1.467 880 Q HN 0.937 nan 8.270 nan 0.000 0.401 881 G N -0.000 108.825 108.800 0.042 0.000 2.509 881 G HA2 0.513 4.473 3.960 -0.001 0.000 0.269 881 G HA3 0.513 4.473 3.960 -0.001 0.000 0.269 881 G C -0.949 173.982 174.900 0.052 0.000 1.416 881 G CA -0.679 44.449 45.100 0.046 0.000 1.052 881 G HN 0.400 nan 8.290 nan 0.000 0.542 882 V N 0.876 120.822 119.914 0.054 0.000 2.305 882 V HA 0.341 4.461 4.120 -0.001 0.000 0.275 882 V C 0.063 176.194 176.094 0.062 0.000 1.020 882 V CA -0.148 62.191 62.300 0.064 0.000 0.811 882 V CB 0.844 32.709 31.823 0.070 0.000 1.031 882 V HN 0.535 nan 8.190 nan 0.000 0.439 883 L N 3.372 124.630 121.223 0.059 0.000 3.267 883 L HA 0.331 4.670 4.340 -0.001 0.000 0.289 883 L C 0.502 177.403 176.870 0.051 0.000 1.260 883 L CA 0.008 54.878 54.840 0.050 0.000 1.034 883 L CB 0.701 42.785 42.059 0.040 0.000 1.413 883 L HN 0.659 nan 8.230 nan 0.000 0.594 884 D N -2.103 118.336 120.400 0.065 0.000 2.559 884 D HA 0.058 4.698 4.640 -0.001 0.000 0.234 884 D C 0.182 176.526 176.300 0.073 0.000 1.226 884 D CA -0.409 53.630 54.000 0.065 0.000 0.830 884 D CB -0.215 40.631 40.800 0.077 0.000 1.028 884 D HN 0.068 nan 8.370 nan 0.000 0.492 885 N N 1.831 120.572 118.700 0.069 0.000 2.374 885 N HA 0.072 4.811 4.740 -0.001 0.000 0.241 885 N C 0.301 175.826 175.510 0.024 0.000 1.262 885 N CA 0.553 53.644 53.050 0.068 0.000 0.880 885 N CB 0.906 39.430 38.487 0.062 0.000 1.105 885 N HN 0.404 nan 8.380 nan 0.000 0.438 886 K N -0.288 120.113 120.400 0.003 0.000 2.536 886 K HA 0.516 4.835 4.320 -0.001 0.000 0.269 886 K C -3.262 173.316 176.600 -0.037 0.000 0.965 886 K CA -1.850 54.396 56.287 -0.068 0.000 0.860 886 K CB 1.268 33.644 32.500 -0.207 0.000 1.423 886 K HN 0.086 nan 8.250 nan 0.000 0.438 887 P HA -0.020 nan 4.420 nan 0.000 0.264 887 P C -1.056 176.268 177.300 0.039 0.000 1.183 887 P CA -0.417 62.668 63.100 -0.026 0.000 0.763 887 P CB 0.746 32.421 31.700 -0.042 0.000 0.807 888 V N 5.127 125.027 119.914 -0.024 0.000 2.841 888 V HA 0.471 4.590 4.120 -0.001 0.000 0.310 888 V C -1.346 174.617 176.094 -0.220 0.000 1.090 888 V CA -1.097 61.160 62.300 -0.071 0.000 0.930 888 V CB 2.137 33.894 31.823 -0.110 0.000 1.014 888 V HN 0.276 nan 8.190 nan 0.000 0.425 889 L N 7.012 128.129 121.223 -0.176 0.000 2.272 889 L HA 0.590 4.930 4.340 -0.001 0.000 0.284 889 L C -0.342 176.502 176.870 -0.044 0.000 1.045 889 L CA 0.155 54.927 54.840 -0.113 0.000 0.842 889 L CB 0.296 42.309 42.059 -0.078 0.000 1.224 889 L HN 0.697 nan 8.230 nan 0.000 0.430 890 H N 5.669 124.753 119.070 0.023 0.000 2.582 890 H HA 0.480 5.036 4.556 -0.001 0.000 0.345 890 H C -0.088 175.145 175.328 -0.158 0.000 1.104 890 H CA -0.183 55.826 56.048 -0.066 0.000 1.390 890 H CB 1.259 31.050 29.762 0.048 0.000 1.461 890 H HN 0.694 nan 8.280 nan 0.000 0.551 891 I N 0.129 120.542 120.570 -0.261 0.000 2.689 891 I HA 0.607 4.777 4.170 -0.001 0.000 0.299 891 I C -1.403 174.376 176.117 -0.562 0.000 1.059 891 I CA -0.946 60.214 61.300 -0.235 0.000 1.055 891 I CB 2.116 40.063 38.000 -0.088 0.000 1.243 891 I HN 0.244 nan 8.210 nan 0.000 0.425 892 Y N 2.442 122.785 120.300 0.072 0.000 2.638 892 Y HA 0.693 5.242 4.550 -0.001 0.000 0.335 892 Y C -0.638 175.310 175.900 0.079 0.000 1.155 892 Y CA -1.094 57.055 58.100 0.082 0.000 1.046 892 Y CB 1.584 40.112 38.460 0.114 0.000 1.303 892 Y HN 0.420 nan 8.280 nan 0.000 0.460 893 R N 1.359 122.016 120.500 0.263 0.000 2.686 893 R HA 0.612 4.951 4.340 -0.001 0.000 0.286 893 R C -1.944 174.465 176.300 0.181 0.000 0.969 893 R CA -1.130 55.076 56.100 0.177 0.000 0.898 893 R CB 2.635 32.998 30.300 0.106 0.000 1.183 893 R HN 0.641 nan 8.270 nan 0.000 0.456 894 L N 2.418 123.728 121.223 0.146 0.000 2.319 894 L HA 0.439 4.778 4.340 -0.001 0.000 0.281 894 L C -1.195 175.703 176.870 0.047 0.000 1.005 894 L CA -0.576 54.327 54.840 0.104 0.000 0.828 894 L CB 1.849 43.982 42.059 0.124 0.000 1.227 894 L HN 0.322 nan 8.230 nan 0.000 0.415 895 V N 6.202 126.127 119.914 0.019 0.000 2.326 895 V HA 0.405 4.524 4.120 -0.001 0.000 0.281 895 V C -0.363 175.705 176.094 -0.043 0.000 1.015 895 V CA -0.585 61.706 62.300 -0.014 0.000 0.823 895 V CB 1.347 33.153 31.823 -0.028 0.000 1.009 895 V HN 0.631 nan 8.190 nan 0.000 0.436 896 L N 5.412 126.606 121.223 -0.048 0.000 2.275 896 L HA 0.699 5.038 4.340 -0.001 0.000 0.288 896 L C -0.135 176.697 176.870 -0.064 0.000 1.046 896 L CA 0.652 55.455 54.840 -0.061 0.000 0.805 896 L CB 1.069 43.090 42.059 -0.064 0.000 1.193 896 L HN 0.746 nan 8.230 nan 0.000 0.426 897 E N 3.596 123.750 120.200 -0.076 0.000 2.408 897 E HA 0.460 4.810 4.350 -0.001 0.000 0.275 897 E C -1.289 175.266 176.600 -0.075 0.000 0.935 897 E CA -1.207 55.145 56.400 -0.079 0.000 0.775 897 E CB 1.482 31.119 29.700 -0.105 0.000 1.277 897 E HN 0.237 nan 8.360 nan 0.000 0.455 898 K N 1.356 121.716 120.400 -0.067 0.000 2.234 898 K HA 0.220 4.539 4.320 -0.001 0.000 0.282 898 K C 0.338 176.896 176.600 -0.069 0.000 1.039 898 K CA -0.226 56.026 56.287 -0.058 0.000 0.928 898 K CB 1.328 33.800 32.500 -0.048 0.000 1.039 898 K HN 0.487 nan 8.250 nan 0.000 0.470 899 V N -0.534 119.340 119.914 -0.067 0.000 3.346 899 V HA 0.029 4.148 4.120 -0.001 0.000 0.309 899 V C 1.139 177.200 176.094 -0.056 0.000 1.457 899 V CA -0.303 61.950 62.300 -0.078 0.000 1.069 899 V CB -0.273 31.486 31.823 -0.106 0.000 0.944 899 V HN 0.607 nan 8.190 nan 0.000 0.449 900 N N 1.453 120.129 118.700 -0.041 0.000 2.364 900 N HA -0.168 4.571 4.740 -0.001 0.000 0.183 900 N C 1.002 176.493 175.510 -0.031 0.000 1.022 900 N CA 1.560 54.593 53.050 -0.029 0.000 0.883 900 N CB -0.525 37.950 38.487 -0.021 0.000 0.965 900 N HN 0.559 nan 8.380 nan 0.000 0.438 901 N N 0.021 118.698 118.700 -0.039 0.000 2.280 901 N HA 0.071 4.810 4.740 -0.001 0.000 0.192 901 N C -0.282 175.200 175.510 -0.047 0.000 1.109 901 N CA -0.097 52.930 53.050 -0.038 0.000 0.855 901 N CB 0.184 38.648 38.487 -0.038 0.000 0.974 901 N HN 0.207 nan 8.380 nan 0.000 0.482 902 c N 1.263 119.828 118.600 -0.057 0.000 2.536 902 c HA 0.282 4.851 4.570 -0.001 0.000 0.396 902 c C 1.090 175.145 174.090 -0.060 0.000 1.279 902 c CA -0.911 55.376 56.329 -0.070 0.000 2.148 902 c CB 0.996 43.450 42.510 -0.093 0.000 2.584 902 c HN 0.010 nan 8.230 nan 0.000 0.579 903 V N 5.386 125.261 119.914 -0.065 0.000 2.370 903 V HA 0.202 4.321 4.120 -0.001 0.000 0.257 903 V C 0.629 176.687 176.094 -0.060 0.000 1.064 903 V CA 0.410 62.676 62.300 -0.057 0.000 0.975 903 V CB -0.681 31.103 31.823 -0.064 0.000 1.067 903 V HN 0.791 nan 8.190 nan 0.000 0.485 904 R N 4.633 125.110 120.500 -0.039 0.000 2.720 904 R HA 0.547 4.887 4.340 -0.001 0.000 0.272 904 R C -2.456 173.840 176.300 -0.007 0.000 0.991 904 R CA -1.858 54.227 56.100 -0.025 0.000 1.010 904 R CB 1.101 31.390 30.300 -0.018 0.000 1.141 904 R HN 0.395 nan 8.270 nan 0.000 0.494 905 P HA -0.037 nan 4.420 nan 0.000 0.270 905 P C -0.394 176.948 177.300 0.071 0.000 1.223 905 P CA -0.214 62.877 63.100 -0.013 0.000 0.785 905 P CB 0.588 32.208 31.700 -0.134 0.000 0.923 906 S N 0.994 116.763 115.700 0.115 0.000 2.589 906 S HA 0.062 4.531 4.470 -0.001 0.000 0.265 906 S C 1.076 175.758 174.600 0.138 0.000 1.342 906 S CA -0.142 58.127 58.200 0.114 0.000 1.005 906 S CB 0.301 63.570 63.200 0.116 0.000 0.909 906 S HN 0.313 nan 8.310 nan 0.000 0.555 907 K N 0.532 120.994 120.400 0.103 0.000 2.281 907 K HA -0.013 4.306 4.320 -0.001 0.000 0.203 907 K C 1.456 178.113 176.600 0.095 0.000 1.046 907 K CA 1.313 57.658 56.287 0.097 0.000 0.938 907 K CB -0.564 31.976 32.500 0.068 0.000 0.737 907 K HN 0.563 nan 8.250 nan 0.000 0.458 908 L N 0.022 121.302 121.223 0.096 0.000 2.592 908 L HA 0.034 4.374 4.340 -0.001 0.000 0.227 908 L C 1.021 177.941 176.870 0.084 0.000 1.127 908 L CA -0.224 54.657 54.840 0.067 0.000 0.884 908 L CB -0.205 41.879 42.059 0.041 0.000 1.065 908 L HN 0.233 nan 8.230 nan 0.000 0.457 909 H N 2.195 121.303 119.070 0.063 0.000 2.683 909 H HA 0.101 4.656 4.556 -0.001 0.000 0.339 909 H C -1.750 173.619 175.328 0.068 0.000 1.081 909 H CA -1.413 54.685 56.048 0.083 0.000 1.432 909 H CB 1.829 31.668 29.762 0.128 0.000 1.462 909 H HN -0.091 nan 8.280 nan 0.000 0.557 910 P HA 0.153 nan 4.420 nan 0.000 0.249 910 P C -0.484 176.924 177.300 0.179 0.000 1.229 910 P CA 0.164 63.303 63.100 0.065 0.000 0.788 910 P CB 0.520 32.183 31.700 -0.062 0.000 1.072 911 A N -0.350 122.746 122.820 0.461 0.000 2.299 911 A HA 0.772 5.091 4.320 -0.001 0.000 0.332 911 A C 0.246 177.894 177.584 0.106 0.000 1.131 911 A CA -0.365 51.812 52.037 0.232 0.000 0.844 911 A CB 1.060 20.185 19.000 0.208 0.000 1.251 911 A HN 0.155 nan 8.150 nan 0.000 0.486 912 G N -1.410 107.325 108.800 -0.108 0.000 2.658 912 G HA2 0.637 4.596 3.960 -0.001 0.000 0.292 912 G HA3 0.637 4.596 3.960 -0.001 0.000 0.292 912 G C -1.865 172.681 174.900 -0.590 0.000 1.320 912 G CA -0.402 44.549 45.100 -0.248 0.000 0.933 912 G HN 0.525 nan 8.290 nan 0.000 0.476 913 Y N -0.852 119.422 120.300 -0.043 0.000 2.534 913 Y HA 0.486 5.036 4.550 -0.001 0.000 0.345 913 Y C 0.325 175.996 175.900 -0.381 0.000 1.031 913 Y CA -0.849 57.159 58.100 -0.154 0.000 1.022 913 Y CB 2.011 40.367 38.460 -0.173 0.000 1.292 913 Y HN 0.357 nan 8.280 nan 0.000 0.459 914 L N 2.112 123.183 121.223 -0.254 0.000 2.453 914 L HA 0.397 4.737 4.340 -0.001 0.000 0.261 914 L C 0.700 177.423 176.870 -0.245 0.000 1.179 914 L CA -0.529 54.078 54.840 -0.389 0.000 0.813 914 L CB 0.840 42.752 42.059 -0.244 0.000 1.110 914 L HN 0.798 nan 8.230 nan 0.000 0.466 915 T N -2.651 111.746 114.554 -0.261 0.000 2.847 915 T HA 0.070 4.419 4.350 -0.001 0.000 0.279 915 T C 1.128 175.775 174.700 -0.088 0.000 0.984 915 T CA -0.167 61.829 62.100 -0.173 0.000 0.988 915 T CB 1.540 70.302 68.868 -0.178 0.000 1.040 915 T HN 0.621 nan 8.240 nan 0.000 0.528 916 S N 0.645 116.307 115.700 -0.064 0.000 2.359 916 S HA -0.161 4.309 4.470 -0.001 0.000 0.224 916 S C 2.352 176.962 174.600 0.017 0.000 1.035 916 S CA 1.536 59.731 58.200 -0.009 0.000 1.018 916 S CB -1.256 61.924 63.200 -0.034 0.000 0.876 916 S HN 0.939 nan 8.310 nan 0.000 0.448 917 A N 1.185 123.991 122.820 -0.024 0.000 1.933 917 A HA 0.232 4.551 4.320 -0.001 0.000 0.218 917 A C 2.474 180.051 177.584 -0.013 0.000 1.175 917 A CA 1.883 53.908 52.037 -0.019 0.000 0.628 917 A CB -1.326 17.653 19.000 -0.036 0.000 0.814 917 A HN 0.836 nan 8.150 nan 0.000 0.444 918 A N -1.444 121.355 122.820 -0.035 0.000 1.929 918 A HA -0.148 4.172 4.320 -0.001 0.000 0.216 918 A C 2.100 179.706 177.584 0.037 0.000 1.176 918 A CA 1.526 53.545 52.037 -0.029 0.000 0.628 918 A CB -0.904 18.024 19.000 -0.119 0.000 0.816 918 A HN 0.772 nan 8.150 nan 0.000 0.444 919 H N 0.103 119.155 119.070 -0.029 0.000 2.321 919 H HA -0.071 4.485 4.556 -0.001 0.000 0.300 919 H C 1.836 177.197 175.328 0.054 0.000 1.087 919 H CA 1.892 57.960 56.048 0.032 0.000 1.319 919 H CB -0.039 29.737 29.762 0.023 0.000 1.379 919 H HN 0.433 nan 8.280 nan 0.000 0.501 920 K N 0.168 120.524 120.400 -0.073 0.000 2.097 920 K HA -0.069 4.250 4.320 -0.001 0.000 0.206 920 K C 2.394 178.950 176.600 -0.072 0.000 1.049 920 K CA 0.849 57.076 56.287 -0.101 0.000 0.933 920 K CB -0.042 32.452 32.500 -0.011 0.000 0.717 920 K HN 0.273 nan 8.250 nan 0.000 0.442 921 A N 0.805 123.606 122.820 -0.030 0.000 1.933 921 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 921 A C 2.193 179.771 177.584 -0.009 0.000 1.175 921 A CA 2.020 54.053 52.037 -0.006 0.000 0.628 921 A CB -0.608 18.404 19.000 0.020 0.000 0.814 921 A HN 0.280 nan 8.150 nan 0.000 0.444 922 S N -0.700 114.994 115.700 -0.010 0.000 2.368 922 S HA -0.221 4.248 4.470 -0.001 0.000 0.225 922 S C 2.133 176.708 174.600 -0.042 0.000 1.030 922 S CA 1.640 59.849 58.200 0.016 0.000 0.999 922 S CB -0.399 62.855 63.200 0.091 0.000 0.844 922 S HN 0.677 nan 8.310 nan 0.000 0.459 923 Q N 0.327 120.053 119.800 -0.123 0.000 2.170 923 Q HA -0.036 4.303 4.340 -0.001 0.000 0.203 923 Q C 2.366 178.307 176.000 -0.098 0.000 0.976 923 Q CA 1.578 57.311 55.803 -0.115 0.000 0.858 923 Q CB -0.234 28.418 28.738 -0.144 0.000 0.907 923 Q HN 0.498 nan 8.270 nan 0.000 0.433 924 S N 0.678 116.332 115.700 -0.077 0.000 2.423 924 S HA -0.040 4.429 4.470 -0.001 0.000 0.231 924 S C 1.848 176.386 174.600 -0.103 0.000 1.014 924 S CA 0.735 58.889 58.200 -0.078 0.000 0.965 924 S CB 0.003 63.177 63.200 -0.043 0.000 0.785 924 S HN 0.280 nan 8.310 nan 0.000 0.495 925 L N 0.361 121.533 121.223 -0.084 0.000 2.127 925 L HA 0.096 4.435 4.340 -0.001 0.000 0.203 925 L C 2.023 178.804 176.870 -0.147 0.000 1.080 925 L CA 0.885 55.668 54.840 -0.095 0.000 0.768 925 L CB -0.356 41.671 42.059 -0.054 0.000 0.924 925 L HN 0.270 nan 8.230 nan 0.000 0.444 926 L N -1.179 119.961 121.223 -0.139 0.000 2.249 926 L HA 0.017 4.356 4.340 -0.001 0.000 0.207 926 L C 0.205 176.907 176.870 -0.281 0.000 1.090 926 L CA 0.794 55.529 54.840 -0.175 0.000 0.802 926 L CB 0.063 42.054 42.059 -0.113 0.000 0.947 926 L HN 0.208 nan 8.230 nan 0.000 0.453 927 D N 0.415 120.642 120.400 -0.288 0.000 2.613 927 D HA 0.231 4.870 4.640 -0.001 0.000 0.312 927 D C -2.343 173.705 176.300 -0.420 0.000 1.202 927 D CA -0.998 52.756 54.000 -0.410 0.000 0.825 927 D CB 1.245 42.005 40.800 -0.066 0.000 1.113 927 D HN 0.065 nan 8.370 nan 0.000 0.502 928 P HA 0.105 nan 4.420 nan 0.000 0.273 928 P C 0.553 177.704 177.300 -0.249 0.000 1.250 928 P CA -0.463 62.444 63.100 -0.322 0.000 0.793 928 P CB 1.519 33.036 31.700 -0.304 0.000 1.011 929 L N 0.930 122.077 121.223 -0.127 0.000 2.485 929 L HA 0.094 4.433 4.340 -0.001 0.000 0.275 929 L C 0.936 177.808 176.870 0.004 0.000 1.207 929 L CA 0.372 55.192 54.840 -0.033 0.000 0.855 929 L CB -0.293 41.763 42.059 -0.005 0.000 1.114 929 L HN 0.279 nan 8.230 nan 0.000 0.485 930 D N 3.140 123.631 120.400 0.151 0.000 2.225 930 D HA 0.319 4.959 4.640 -0.001 0.000 0.249 930 D C -0.347 176.014 176.300 0.102 0.000 1.052 930 D CA -0.302 53.780 54.000 0.137 0.000 0.909 930 D CB 1.658 42.635 40.800 0.296 0.000 1.186 930 D HN 0.371 nan 8.370 nan 0.000 0.431 931 K N 1.392 121.738 120.400 -0.091 0.000 2.345 931 K HA 0.467 4.786 4.320 -0.001 0.000 0.255 931 K C -1.003 175.560 176.600 -0.062 0.000 0.934 931 K CA -0.649 55.684 56.287 0.076 0.000 0.801 931 K CB 1.554 34.037 32.500 -0.028 0.000 1.137 931 K HN 0.225 nan 8.250 nan 0.000 0.424 932 F N 2.649 122.809 119.950 0.350 0.000 2.507 932 F HA 0.486 5.012 4.527 -0.001 0.000 0.325 932 F C 0.023 176.123 175.800 0.500 0.000 1.116 932 F CA -0.883 57.313 58.000 0.325 0.000 0.930 932 F CB 1.263 40.287 39.000 0.041 0.000 1.146 932 F HN 0.200 nan 8.300 nan 0.000 0.447 933 I N 3.632 124.593 120.570 0.651 0.000 2.339 933 I HA 0.214 4.384 4.170 -0.001 0.000 0.290 933 I C -0.489 175.914 176.117 0.477 0.000 0.994 933 I CA -0.837 60.772 61.300 0.514 0.000 1.191 933 I CB 1.194 39.394 38.000 0.334 0.000 1.343 933 I HN 0.444 nan 8.210 nan 0.000 0.458 934 F N 5.746 125.867 119.950 0.285 0.000 2.578 934 F HA 0.171 4.697 4.527 -0.001 0.000 0.376 934 F C 1.199 176.919 175.800 -0.134 0.000 1.085 934 F CA 0.186 58.042 58.000 -0.240 0.000 1.260 934 F CB 1.159 40.054 39.000 -0.175 0.000 1.095 934 F HN 0.607 nan 8.300 nan 0.000 0.573 935 A N 4.456 126.698 122.820 -0.963 0.000 1.903 935 A HA 0.033 4.353 4.320 -0.001 0.000 0.213 935 A C 0.978 178.313 177.584 -0.415 0.000 1.185 935 A CA 0.551 52.257 52.037 -0.552 0.000 0.628 935 A CB -0.541 18.120 19.000 -0.566 0.000 0.830 935 A HN 0.802 nan 8.150 nan 0.000 0.446 936 E N -0.275 119.533 120.200 -0.654 0.000 2.405 936 E HA 0.135 4.484 4.350 -0.001 0.000 0.253 936 E C 0.284 177.025 176.600 0.234 0.000 1.257 936 E CA -0.462 55.880 56.400 -0.097 0.000 0.960 936 E CB 0.225 29.949 29.700 0.040 0.000 1.077 936 E HN 0.257 nan 8.360 nan 0.000 0.512 937 N N 0.464 119.301 118.700 0.229 0.000 2.300 937 N HA -0.075 4.664 4.740 -0.001 0.000 0.179 937 N C -0.250 175.418 175.510 0.263 0.000 1.016 937 N CA 0.853 54.038 53.050 0.226 0.000 0.876 937 N CB 0.219 38.789 38.487 0.140 0.000 0.979 937 N HN 0.452 nan 8.380 nan 0.000 0.432 938 E N -0.730 119.644 120.200 0.290 0.000 2.292 938 E HA 0.125 4.474 4.350 -0.001 0.000 0.272 938 E C -1.559 175.096 176.600 0.092 0.000 0.881 938 E CA -0.735 55.750 56.400 0.141 0.000 0.754 938 E CB 1.318 31.072 29.700 0.090 0.000 1.201 938 E HN -0.022 nan 8.360 nan 0.000 0.425 939 W N 7.576 128.521 121.300 -0.592 0.000 2.295 939 W HA 0.414 5.073 4.660 -0.001 0.000 0.333 939 W C -1.378 174.936 176.519 -0.342 0.000 0.990 939 W CA -1.476 55.392 57.345 -0.795 0.000 1.453 939 W CB -0.172 28.352 29.460 -1.561 0.000 1.263 939 W HN 0.465 nan 8.180 nan 0.000 0.380 940 I N 5.642 126.305 120.570 0.155 0.000 2.588 940 I HA 0.282 4.451 4.170 -0.001 0.000 0.283 940 I C 1.543 177.638 176.117 -0.036 0.000 1.119 940 I CA 1.374 62.689 61.300 0.025 0.000 1.419 940 I CB 0.665 38.709 38.000 0.074 0.000 1.394 940 I HN 0.776 nan 8.210 nan 0.000 0.562 941 G N 4.144 112.843 108.800 -0.167 0.000 2.159 941 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.256 941 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.256 941 G C 0.467 175.118 174.900 -0.415 0.000 0.977 941 G CA -0.078 44.903 45.100 -0.198 0.000 0.652 941 G HN 1.043 nan 8.290 nan 0.000 0.531 942 A N -0.305 122.001 122.820 -0.855 0.000 2.531 942 A HA 0.524 4.844 4.320 -0.001 0.000 0.236 942 A C 0.606 177.767 177.584 -0.704 0.000 1.062 942 A CA 0.917 52.101 52.037 -1.422 0.000 0.760 942 A CB 0.205 17.983 19.000 -2.035 0.000 0.995 942 A HN 0.651 nan 8.150 nan 0.000 0.501 943 Q N 0.778 120.245 119.800 -0.554 0.000 2.351 943 Q HA 0.525 4.864 4.340 -0.001 0.000 0.273 943 Q C 1.090 176.976 176.000 -0.190 0.000 1.077 943 Q CA -0.224 55.419 55.803 -0.267 0.000 0.843 943 Q CB 1.880 30.529 28.738 -0.148 0.000 1.367 943 Q HN 0.796 nan 8.270 nan 0.000 0.449 944 G N 0.088 108.816 108.800 -0.120 0.000 2.683 944 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.213 944 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.213 944 G C 0.200 175.081 174.900 -0.031 0.000 1.142 944 G CA 0.540 45.587 45.100 -0.088 0.000 0.793 944 G HN 0.446 nan 8.290 nan 0.000 0.534 945 Q N -1.400 118.398 119.800 -0.003 0.000 2.527 945 Q HA 0.512 4.852 4.340 -0.001 0.000 0.280 945 Q C -2.387 173.646 176.000 0.054 0.000 0.977 945 Q CA -0.920 54.900 55.803 0.028 0.000 0.837 945 Q CB 2.114 30.855 28.738 0.004 0.000 1.454 945 Q HN 0.048 nan 8.270 nan 0.000 0.387 946 F N 1.178 121.043 119.950 -0.141 0.000 2.569 946 F HA 0.644 5.171 4.527 -0.001 0.000 0.312 946 F C 0.493 176.049 175.800 -0.406 0.000 1.109 946 F CA 0.466 58.315 58.000 -0.251 0.000 0.919 946 F CB 2.092 40.956 39.000 -0.228 0.000 1.211 946 F HN 0.682 nan 8.300 nan 0.000 0.446 947 G N 2.966 110.765 108.800 -1.669 0.000 2.141 947 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.242 947 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.242 947 G C 1.035 175.268 174.900 -1.112 0.000 0.982 947 G CA 0.307 44.172 45.100 -2.058 0.000 0.662 947 G HN 1.598 nan 8.290 nan 0.000 0.527 948 G N 1.201 109.646 108.800 -0.591 0.000 2.462 948 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.220 948 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.220 948 G C 1.271 176.112 174.900 -0.099 0.000 1.121 948 G CA 1.751 46.737 45.100 -0.191 0.000 0.758 948 G HN 0.835 nan 8.290 nan 0.000 0.559 949 D N -0.508 119.748 120.400 -0.240 0.000 2.339 949 D HA -0.002 4.638 4.640 -0.001 0.000 0.217 949 D C 0.038 176.333 176.300 -0.009 0.000 1.050 949 D CA -0.350 53.600 54.000 -0.085 0.000 0.856 949 D CB -0.449 40.306 40.800 -0.074 0.000 0.922 949 D HN 0.188 nan 8.370 nan 0.000 0.518 950 H N 1.655 120.614 119.070 -0.185 0.000 2.732 950 H HA 0.327 4.882 4.556 -0.001 0.000 0.351 950 H C -1.981 173.310 175.328 -0.063 0.000 1.090 950 H CA -2.137 53.824 56.048 -0.144 0.000 1.431 950 H CB 0.058 29.685 29.762 -0.226 0.000 1.447 950 H HN 0.027 nan 8.280 nan 0.000 0.582 951 P HA -0.013 nan 4.420 nan 0.000 0.268 951 P C -0.193 177.162 177.300 0.092 0.000 1.204 951 P CA 0.013 63.166 63.100 0.088 0.000 0.768 951 P CB 0.674 32.404 31.700 0.049 0.000 0.842 952 S N 2.489 118.276 115.700 0.144 0.000 2.466 952 S HA 0.567 5.037 4.470 -0.001 0.000 0.313 952 S C 0.065 174.750 174.600 0.142 0.000 1.078 952 S CA -0.601 57.708 58.200 0.182 0.000 1.115 952 S CB -0.704 62.720 63.200 0.373 0.000 1.006 952 S HN 0.493 nan 8.310 nan 0.000 0.487 953 A N 4.294 127.191 122.820 0.128 0.000 2.366 953 A HA 0.483 4.802 4.320 -0.001 0.000 0.249 953 A C 0.562 178.190 177.584 0.073 0.000 1.084 953 A CA -0.482 51.610 52.037 0.093 0.000 0.794 953 A CB 0.145 19.201 19.000 0.094 0.000 1.034 953 A HN 0.916 nan 8.150 nan 0.000 0.491 954 R N 0.133 120.648 120.500 0.025 0.000 2.638 954 R HA -0.046 4.294 4.340 -0.001 0.000 0.268 954 R C 1.501 177.791 176.300 -0.016 0.000 1.006 954 R CA 1.053 57.141 56.100 -0.019 0.000 1.088 954 R CB 0.311 30.593 30.300 -0.030 0.000 0.950 954 R HN 0.909 nan 8.270 nan 0.000 0.419 955 E N 1.928 122.080 120.200 -0.081 0.000 2.209 955 E HA -0.248 4.102 4.350 -0.001 0.000 0.196 955 E C 0.252 176.865 176.600 0.021 0.000 0.993 955 E CA 1.603 57.941 56.400 -0.105 0.000 0.819 955 E CB -0.087 29.531 29.700 -0.137 0.000 0.745 955 E HN 0.788 nan 8.360 nan 0.000 0.477 956 D N 0.588 120.963 120.400 -0.042 0.000 2.340 956 D HA 0.007 4.646 4.640 -0.001 0.000 0.220 956 D C 0.341 176.623 176.300 -0.031 0.000 1.039 956 D CA -0.141 53.792 54.000 -0.112 0.000 0.866 956 D CB -0.023 40.661 40.800 -0.193 0.000 0.913 956 D HN 0.177 nan 8.370 nan 0.000 0.523 957 L N 0.816 122.071 121.223 0.052 0.000 2.309 957 L HA 0.530 4.869 4.340 -0.001 0.000 0.282 957 L C -1.135 175.851 176.870 0.193 0.000 1.036 957 L CA -0.466 54.426 54.840 0.086 0.000 0.806 957 L CB 1.673 43.772 42.059 0.066 0.000 1.220 957 L HN -0.216 nan 8.230 nan 0.000 0.429 958 D N 2.424 122.961 120.400 0.228 0.000 2.671 958 D HA 0.372 5.011 4.640 -0.001 0.000 0.232 958 D C -1.350 175.104 176.300 0.257 0.000 1.114 958 D CA -0.269 53.890 54.000 0.265 0.000 0.858 958 D CB 2.442 43.444 40.800 0.337 0.000 1.544 958 D HN 0.240 nan 8.370 nan 0.000 0.471 959 V N 3.437 123.481 119.914 0.217 0.000 2.284 959 V HA 0.128 4.247 4.120 -0.001 0.000 0.260 959 V C 1.271 177.498 176.094 0.222 0.000 1.084 959 V CA -0.013 62.429 62.300 0.237 0.000 0.894 959 V CB 0.490 32.442 31.823 0.214 0.000 1.119 959 V HN 0.597 nan 8.190 nan 0.000 0.484 960 S N 3.197 119.056 115.700 0.265 0.000 2.382 960 S HA -0.015 4.454 4.470 -0.001 0.000 0.228 960 S C 0.662 175.314 174.600 0.087 0.000 1.027 960 S CA 0.879 59.186 58.200 0.179 0.000 0.991 960 S CB 0.171 63.534 63.200 0.273 0.000 0.823 960 S HN 0.491 nan 8.310 nan 0.000 0.469 961 V N 1.524 121.531 119.914 0.155 0.000 2.686 961 V HA 0.529 4.649 4.120 -0.001 0.000 0.306 961 V C -0.776 175.391 176.094 0.122 0.000 1.065 961 V CA -0.547 61.822 62.300 0.114 0.000 0.894 961 V CB 1.881 33.795 31.823 0.152 0.000 1.004 961 V HN 0.375 nan 8.190 nan 0.000 0.424 962 M N 5.699 125.291 119.600 -0.012 0.000 2.204 962 M HA 0.679 5.158 4.480 -0.001 0.000 0.293 962 M C -1.073 175.065 176.300 -0.272 0.000 0.994 962 M CA -0.488 54.673 55.300 -0.231 0.000 0.925 962 M CB 1.451 33.925 32.600 -0.211 0.000 1.577 962 M HN 0.738 nan 8.290 nan 0.000 0.439 963 R N 4.084 124.351 120.500 -0.389 0.000 2.515 963 R HA 0.432 4.771 4.340 -0.001 0.000 0.291 963 R C -1.395 174.678 176.300 -0.378 0.000 1.046 963 R CA -0.691 55.230 56.100 -0.298 0.000 0.914 963 R CB 1.840 32.047 30.300 -0.154 0.000 1.191 963 R HN 0.906 nan 8.270 nan 0.000 0.435 964 R N 4.483 124.817 120.500 -0.276 0.000 2.442 964 R HA 0.135 4.475 4.340 -0.001 0.000 0.291 964 R C 0.203 176.391 176.300 -0.186 0.000 1.069 964 R CA 0.071 56.035 56.100 -0.227 0.000 1.022 964 R CB 0.613 30.837 30.300 -0.126 0.000 0.976 964 R HN 0.704 nan 8.270 nan 0.000 0.443 965 L N 3.013 124.118 121.223 -0.197 0.000 2.616 965 L HA 0.145 4.484 4.340 -0.001 0.000 0.229 965 L C 0.342 177.158 176.870 -0.090 0.000 1.110 965 L CA 0.025 54.769 54.840 -0.159 0.000 0.884 965 L CB 0.382 42.312 42.059 -0.216 0.000 1.115 965 L HN 0.714 nan 8.230 nan 0.000 0.481 966 T N -2.714 111.799 114.554 -0.069 0.000 2.885 966 T HA 0.460 4.810 4.350 -0.001 0.000 0.285 966 T C -0.232 174.460 174.700 -0.013 0.000 1.019 966 T CA -0.916 61.163 62.100 -0.036 0.000 1.010 966 T CB 2.432 71.285 68.868 -0.025 0.000 1.022 966 T HN -0.084 nan 8.240 nan 0.000 0.466 967 K N 0.826 121.224 120.400 -0.003 0.000 2.117 967 K HA 0.349 4.668 4.320 -0.001 0.000 0.240 967 K C 1.687 178.301 176.600 0.024 0.000 1.031 967 K CA -0.296 56.001 56.287 0.016 0.000 0.909 967 K CB 0.606 33.114 32.500 0.012 0.000 1.097 967 K HN 0.795 nan 8.250 nan 0.000 0.492 968 S N -0.548 115.174 115.700 0.038 0.000 2.419 968 S HA -0.163 4.307 4.470 -0.001 0.000 0.233 968 S C 1.805 176.420 174.600 0.025 0.000 1.016 968 S CA 1.589 59.810 58.200 0.036 0.000 0.974 968 S CB -0.399 62.830 63.200 0.047 0.000 0.786 968 S HN 0.639 nan 8.310 nan 0.000 0.492 969 S N 1.524 117.236 115.700 0.021 0.000 2.561 969 S HA 0.430 4.899 4.470 -0.001 0.000 0.225 969 S C 0.792 175.398 174.600 0.010 0.000 0.977 969 S CA 0.044 58.254 58.200 0.016 0.000 0.926 969 S CB -0.633 62.576 63.200 0.015 0.000 0.769 969 S HN 0.788 nan 8.310 nan 0.000 0.533 970 A N 1.804 124.629 122.820 0.008 0.000 2.451 970 A HA 0.385 4.704 4.320 -0.001 0.000 0.266 970 A C 1.223 178.812 177.584 0.008 0.000 1.119 970 A CA -0.397 51.642 52.037 0.003 0.000 0.786 970 A CB 0.208 19.206 19.000 -0.003 0.000 1.061 970 A HN 0.471 nan 8.150 nan 0.000 0.503 971 K N 1.752 122.156 120.400 0.006 0.000 2.032 971 K HA -0.098 4.222 4.320 -0.001 0.000 0.209 971 K C 0.135 176.743 176.600 0.013 0.000 1.048 971 K CA 1.736 58.028 56.287 0.009 0.000 0.927 971 K CB -0.037 32.466 32.500 0.004 0.000 0.712 971 K HN 0.660 nan 8.250 nan 0.000 0.441 972 T N 2.410 116.968 114.554 0.007 0.000 2.781 972 T HA 0.180 4.530 4.350 -0.001 0.000 0.305 972 T C -0.844 173.867 174.700 0.018 0.000 1.001 972 T CA -0.666 61.440 62.100 0.010 0.000 0.950 972 T CB 1.373 70.236 68.868 -0.008 0.000 0.955 972 T HN 0.088 nan 8.240 nan 0.000 0.471 973 Q N 2.752 122.582 119.800 0.050 0.000 2.340 973 Q HA 0.398 4.738 4.340 -0.001 0.000 0.249 973 Q C 0.110 176.160 176.000 0.083 0.000 0.957 973 Q CA 0.108 55.945 55.803 0.057 0.000 0.882 973 Q CB 1.224 30.002 28.738 0.067 0.000 1.235 973 Q HN 0.555 nan 8.270 nan 0.000 0.439 974 R N 0.226 120.742 120.500 0.028 0.000 2.628 974 R HA 0.656 4.995 4.340 -0.001 0.000 0.288 974 R C -1.122 175.129 176.300 -0.081 0.000 0.980 974 R CA -0.663 55.438 56.100 0.001 0.000 0.891 974 R CB 1.858 32.123 30.300 -0.058 0.000 1.188 974 R HN 0.253 nan 8.270 nan 0.000 0.450 975 V N 1.459 121.321 119.914 -0.086 0.000 2.588 975 V HA 0.612 4.732 4.120 -0.001 0.000 0.304 975 V C 0.164 175.978 176.094 -0.467 0.000 1.042 975 V CA -0.819 61.298 62.300 -0.306 0.000 0.877 975 V CB 2.062 33.713 31.823 -0.287 0.000 0.996 975 V HN 0.945 nan 8.190 nan 0.000 0.425 976 G N 2.939 111.262 108.800 -0.795 0.000 2.371 976 G HA2 0.663 4.622 3.960 -0.001 0.000 0.326 976 G HA3 0.663 4.622 3.960 -0.001 0.000 0.326 976 G C -1.664 172.805 174.900 -0.719 0.000 1.127 976 G CA -0.295 44.186 45.100 -1.031 0.000 0.885 976 G HN 0.505 nan 8.290 nan 0.000 0.477 977 Y N 0.298 120.692 120.300 0.157 0.000 2.442 977 Y HA 0.469 5.018 4.550 -0.001 0.000 0.344 977 Y C -0.137 176.034 175.900 0.452 0.000 0.976 977 Y CA -0.895 57.385 58.100 0.299 0.000 1.040 977 Y CB 2.763 41.362 38.460 0.233 0.000 1.228 977 Y HN 0.340 nan 8.280 nan 0.000 0.451 978 V N 5.185 125.393 119.914 0.490 0.000 2.384 978 V HA 0.391 4.510 4.120 -0.001 0.000 0.287 978 V C -0.393 175.927 176.094 0.377 0.000 1.020 978 V CA -0.746 61.767 62.300 0.355 0.000 0.850 978 V CB 1.331 33.312 31.823 0.262 0.000 0.987 978 V HN 0.604 nan 8.190 nan 0.000 0.436 979 L N 5.190 126.622 121.223 0.349 0.000 2.296 979 L HA 0.575 4.915 4.340 -0.001 0.000 0.286 979 L C -0.385 176.679 176.870 0.323 0.000 1.023 979 L CA -0.451 54.587 54.840 0.329 0.000 0.812 979 L CB 1.424 43.673 42.059 0.316 0.000 1.223 979 L HN 0.664 nan 8.230 nan 0.000 0.421 980 H N 4.648 123.869 119.070 0.251 0.000 2.547 980 H HA 0.397 4.952 4.556 -0.001 0.000 0.342 980 H C -1.319 174.093 175.328 0.140 0.000 1.048 980 H CA -0.802 55.366 56.048 0.199 0.000 1.204 980 H CB 2.080 32.033 29.762 0.317 0.000 1.493 980 H HN 0.566 nan 8.280 nan 0.000 0.511 981 R N 3.825 123.935 120.500 -0.650 0.000 2.393 981 R HA 0.229 4.568 4.340 -0.001 0.000 0.315 981 R C -0.420 175.446 176.300 -0.722 0.000 0.952 981 R CA -0.404 55.415 56.100 -0.468 0.000 0.842 981 R CB 1.671 31.826 30.300 -0.243 0.000 1.163 981 R HN 0.639 nan 8.270 nan 0.000 0.450 982 T N 1.525 115.818 114.554 -0.434 0.000 2.833 982 T HA 0.221 4.571 4.350 -0.001 0.000 0.292 982 T C -0.586 173.943 174.700 -0.285 0.000 1.031 982 T CA -0.520 61.422 62.100 -0.263 0.000 0.937 982 T CB 0.630 69.424 68.868 -0.122 0.000 1.256 982 T HN 0.676 nan 8.240 nan 0.000 0.551 983 N N 0.739 119.299 118.700 -0.234 0.000 2.448 983 N HA 0.459 5.199 4.740 -0.001 0.000 0.279 983 N C -1.398 173.956 175.510 -0.259 0.000 1.025 983 N CA -0.476 52.374 53.050 -0.334 0.000 0.898 983 N CB 0.592 38.720 38.487 -0.599 0.000 1.303 983 N HN 0.465 nan 8.380 nan 0.000 0.495 984 L N 2.683 123.748 121.223 -0.262 0.000 2.334 984 L HA 0.534 4.873 4.340 -0.001 0.000 0.275 984 L C 0.581 177.328 176.870 -0.203 0.000 1.036 984 L CA -0.932 53.788 54.840 -0.199 0.000 0.807 984 L CB 1.487 43.436 42.059 -0.183 0.000 1.231 984 L HN 0.377 nan 8.230 nan 0.000 0.438 985 M N 2.022 121.524 119.600 -0.164 0.000 2.248 985 M HA 0.099 4.578 4.480 -0.001 0.000 0.337 985 M C -0.165 176.051 176.300 -0.139 0.000 1.121 985 M CA -0.145 55.060 55.300 -0.158 0.000 1.155 985 M CB 0.502 33.017 32.600 -0.142 0.000 1.514 985 M HN 0.458 nan 8.290 nan 0.000 0.452 986 Q N 1.753 121.475 119.800 -0.129 0.000 2.314 986 Q HA 0.200 4.540 4.340 -0.001 0.000 0.257 986 Q C -0.300 175.647 176.000 -0.088 0.000 0.975 986 Q CA 0.108 55.849 55.803 -0.103 0.000 0.933 986 Q CB 1.011 29.692 28.738 -0.095 0.000 1.195 986 Q HN 0.813 nan 8.270 nan 0.000 0.426 987 c N 0.589 119.141 118.600 -0.080 0.000 3.240 987 c HA 0.356 4.925 4.570 -0.001 0.000 0.271 987 c C 1.271 175.327 174.090 -0.056 0.000 1.534 987 c CA -0.008 56.278 56.329 -0.071 0.000 1.796 987 c CB -0.307 42.155 42.510 -0.080 0.000 2.892 987 c HN 1.015 nan 8.230 nan 0.000 0.566 988 G N 1.333 110.102 108.800 -0.052 0.000 2.157 988 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.248 988 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.248 988 G C 0.070 174.949 174.900 -0.036 0.000 0.979 988 G CA 0.466 45.542 45.100 -0.041 0.000 0.650 988 G HN 0.452 nan 8.290 nan 0.000 0.529 989 T N 2.586 117.116 114.554 -0.041 0.000 2.863 989 T HA 0.447 4.796 4.350 -0.001 0.000 0.299 989 T C -0.326 174.356 174.700 -0.030 0.000 0.973 989 T CA -0.336 61.743 62.100 -0.034 0.000 0.994 989 T CB 1.555 70.400 68.868 -0.040 0.000 0.961 989 T HN 0.131 nan 8.240 nan 0.000 0.552 990 P HA -0.187 nan 4.420 nan 0.000 0.207 990 P C -0.238 177.055 177.300 -0.011 0.000 1.115 990 P CA 0.814 63.908 63.100 -0.009 0.000 0.956 990 P CB 0.013 31.717 31.700 0.007 0.000 0.774 991 E N -0.690 119.512 120.200 0.003 0.000 4.156 991 E HA -0.169 4.180 4.350 -0.001 0.000 0.158 991 E C 0.012 176.592 176.600 -0.034 0.000 1.861 991 E CA 0.231 56.618 56.400 -0.020 0.000 0.926 991 E CB -0.616 29.053 29.700 -0.051 0.000 1.062 991 E HN 0.322 nan 8.360 nan 0.000 0.347 992 E N 0.707 120.907 120.200 0.001 0.000 3.489 992 E HA 0.169 4.518 4.350 -0.001 0.000 0.155 992 E C -0.274 176.236 176.600 -0.150 0.000 0.892 992 E CA -0.146 56.259 56.400 0.008 0.000 0.997 992 E CB -0.026 29.741 29.700 0.112 0.000 1.900 992 E HN 0.652 nan 8.360 nan 0.000 0.372 993 H N 0.629 119.692 119.070 -0.011 0.000 2.252 993 H HA -0.134 4.421 4.556 -0.001 0.000 0.314 993 H C -0.760 174.573 175.328 0.009 0.000 0.918 993 H CA 1.047 57.093 56.048 -0.004 0.000 1.042 993 H CB -2.692 27.065 29.762 -0.008 0.000 1.604 993 H HN 0.287 nan 8.280 nan 0.000 0.331 994 T N -0.270 114.266 114.554 -0.030 0.000 2.924 994 T HA 0.596 4.945 4.350 -0.001 0.000 0.291 994 T C 0.031 174.741 174.700 0.018 0.000 1.045 994 T CA -1.151 60.931 62.100 -0.030 0.000 1.015 994 T CB 2.732 71.568 68.868 -0.052 0.000 1.103 994 T HN 0.524 nan 8.240 nan 0.000 0.496 995 Q N 0.919 120.742 119.800 0.038 0.000 2.259 995 Q HA 0.370 4.709 4.340 -0.001 0.000 0.246 995 Q C -0.197 175.817 176.000 0.022 0.000 0.920 995 Q CA -0.893 54.933 55.803 0.037 0.000 0.895 995 Q CB 1.472 30.244 28.738 0.057 0.000 1.220 995 Q HN 0.631 nan 8.270 nan 0.000 0.439 996 K N 1.870 122.274 120.400 0.007 0.000 2.401 996 K HA 0.134 4.454 4.320 -0.001 0.000 0.278 996 K C -1.047 175.547 176.600 -0.010 0.000 1.018 996 K CA -0.344 55.938 56.287 -0.008 0.000 0.981 996 K CB 0.400 32.887 32.500 -0.022 0.000 0.933 996 K HN 0.435 nan 8.250 nan 0.000 0.477 997 L N 4.460 125.674 121.223 -0.015 0.000 2.265 997 L HA 0.304 4.644 4.340 -0.001 0.000 0.289 997 L C -1.242 175.585 176.870 -0.073 0.000 1.033 997 L CA -0.059 54.764 54.840 -0.028 0.000 0.814 997 L CB 1.283 43.337 42.059 -0.009 0.000 1.203 997 L HN 0.652 nan 8.230 nan 0.000 0.423 998 D N 3.531 123.880 120.400 -0.084 0.000 2.461 998 D HA 0.167 4.806 4.640 -0.001 0.000 0.240 998 D C 1.037 177.236 176.300 -0.168 0.000 1.094 998 D CA -0.304 53.625 54.000 -0.120 0.000 0.868 998 D CB 1.296 42.067 40.800 -0.049 0.000 1.062 998 D HN 0.385 nan 8.370 nan 0.000 0.530 999 V N 1.363 121.080 119.914 -0.328 0.000 2.720 999 V HA -0.164 3.956 4.120 -0.001 0.000 0.256 999 V C 2.079 177.867 176.094 -0.510 0.000 1.082 999 V CA 1.022 62.956 62.300 -0.611 0.000 1.101 999 V CB -1.072 30.102 31.823 -1.082 0.000 0.693 999 V HN 0.613 nan 8.190 nan 0.000 0.479 1000 c N 0.533 118.975 118.600 -0.262 0.000 2.456 1000 c HA 0.042 4.611 4.570 -0.001 0.000 0.279 1000 c C 2.114 176.126 174.090 -0.130 0.000 1.427 1000 c CA 1.162 57.413 56.329 -0.131 0.000 1.778 1000 c CB -1.712 40.715 42.510 -0.138 0.000 1.842 1000 c HN 0.768 nan 8.230 nan 0.000 0.531 1001 H N -0.955 118.096 119.070 -0.032 0.000 2.542 1001 H HA 0.263 4.818 4.556 -0.001 0.000 0.283 1001 H C 1.714 177.076 175.328 0.056 0.000 1.059 1001 H CA -0.001 56.069 56.048 0.035 0.000 1.162 1001 H CB 0.054 29.818 29.762 0.004 0.000 1.539 1001 H HN 0.340 nan 8.280 nan 0.000 0.543 1002 L N -0.156 121.128 121.223 0.101 0.000 2.141 1002 L HA -0.023 4.316 4.340 -0.001 0.000 0.209 1002 L C 0.149 177.160 176.870 0.233 0.000 1.094 1002 L CA 0.896 55.820 54.840 0.140 0.000 0.763 1002 L CB 0.105 42.212 42.059 0.080 0.000 0.908 1002 L HN 0.204 nan 8.230 nan 0.000 0.437 1003 L N 0.018 121.332 121.223 0.152 0.000 2.331 1003 L HA 0.386 4.726 4.340 -0.001 0.000 0.275 1003 L C -2.032 174.879 176.870 0.069 0.000 1.022 1003 L CA -1.969 52.887 54.840 0.026 0.000 0.812 1003 L CB 1.549 43.379 42.059 -0.382 0.000 1.257 1003 L HN -0.200 nan 8.230 nan 0.000 0.435 1004 P HA 0.059 nan 4.420 nan 0.000 0.274 1004 P C -0.811 176.606 177.300 0.196 0.000 1.256 1004 P CA -0.202 62.972 63.100 0.123 0.000 0.795 1004 P CB 0.414 32.165 31.700 0.085 0.000 1.038 1005 N N -2.896 115.897 118.700 0.155 0.000 2.740 1005 N HA -0.151 4.588 4.740 -0.001 0.000 0.248 1005 N C 0.075 175.665 175.510 0.133 0.000 1.062 1005 N CA -0.147 52.983 53.050 0.133 0.000 0.704 1005 N CB -1.442 37.116 38.487 0.118 0.000 0.968 1005 N HN 0.261 nan 8.380 nan 0.000 0.547 1006 V N 0.202 120.149 119.914 0.054 0.000 2.655 1006 V HA 0.352 4.471 4.120 -0.001 0.000 0.300 1006 V C 1.136 177.123 176.094 -0.177 0.000 1.044 1006 V CA 1.221 63.378 62.300 -0.239 0.000 1.095 1006 V CB 1.350 32.934 31.823 -0.398 0.000 0.952 1006 V HN 0.388 nan 8.190 nan 0.000 0.485 1007 A N 6.943 129.635 122.820 -0.214 0.000 2.211 1007 A HA 0.489 4.808 4.320 -0.001 0.000 0.208 1007 A C 0.923 178.465 177.584 -0.070 0.000 1.250 1007 A CA 0.016 51.994 52.037 -0.099 0.000 0.935 1007 A CB 0.264 19.222 19.000 -0.070 0.000 0.982 1007 A HN 0.777 nan 8.150 nan 0.000 0.490 1008 R N -1.519 118.910 120.500 -0.118 0.000 2.634 1008 R HA 0.484 4.823 4.340 -0.001 0.000 0.263 1008 R C -2.355 173.921 176.300 -0.040 0.000 1.060 1008 R CA -0.314 55.781 56.100 -0.008 0.000 0.898 1008 R CB 1.498 31.811 30.300 0.021 0.000 1.253 1008 R HN 0.305 nan 8.270 nan 0.000 0.461 1009 c N 2.876 121.503 118.600 0.047 0.000 2.446 1009 c HA 0.604 5.173 4.570 -0.001 0.000 0.329 1009 c C -1.185 173.000 174.090 0.159 0.000 1.166 1009 c CA -0.209 56.151 56.329 0.052 0.000 1.341 1009 c CB 1.187 43.688 42.510 -0.015 0.000 1.970 1009 c HN 0.930 nan 8.230 nan 0.000 0.452 1010 E N 2.889 123.206 120.200 0.195 0.000 2.288 1010 E HA 0.470 4.819 4.350 -0.001 0.000 0.268 1010 E C -0.948 175.825 176.600 0.288 0.000 0.885 1010 E CA -0.646 55.888 56.400 0.222 0.000 0.767 1010 E CB 1.903 31.696 29.700 0.154 0.000 1.220 1010 E HN 0.648 nan 8.360 nan 0.000 0.427 1011 R N 1.374 122.022 120.500 0.246 0.000 2.357 1011 R HA 0.353 4.692 4.340 -0.001 0.000 0.296 1011 R C -0.543 175.786 176.300 0.050 0.000 1.052 1011 R CA 0.057 56.226 56.100 0.116 0.000 0.988 1011 R CB 0.705 31.049 30.300 0.074 0.000 1.025 1011 R HN 0.700 nan 8.270 nan 0.000 0.469 1012 T N -0.308 114.248 114.554 0.004 0.000 2.887 1012 T HA 0.366 4.715 4.350 -0.001 0.000 0.292 1012 T C 0.080 174.762 174.700 -0.030 0.000 1.087 1012 T CA -0.794 61.329 62.100 0.039 0.000 1.009 1012 T CB 1.384 70.348 68.868 0.160 0.000 1.203 1012 T HN 0.611 nan 8.240 nan 0.000 0.518 1013 T N 0.276 114.817 114.554 -0.023 0.000 2.795 1013 T HA 0.229 4.578 4.350 -0.001 0.000 0.314 1013 T C 1.651 176.268 174.700 -0.138 0.000 1.069 1013 T CA -0.738 61.325 62.100 -0.062 0.000 1.071 1013 T CB -0.045 68.803 68.868 -0.033 0.000 0.988 1013 T HN 0.569 nan 8.240 nan 0.000 0.543 1014 L N 0.976 122.101 121.223 -0.164 0.000 2.353 1014 L HA -0.043 4.297 4.340 -0.001 0.000 0.220 1014 L C 2.792 179.364 176.870 -0.497 0.000 1.133 1014 L CA 1.432 56.105 54.840 -0.279 0.000 0.798 1014 L CB -1.097 40.881 42.059 -0.134 0.000 0.922 1014 L HN 0.977 nan 8.230 nan 0.000 0.445 1015 T N -5.056 109.313 114.554 -0.309 0.000 3.129 1015 T HA 0.029 4.379 4.350 -0.001 0.000 0.251 1015 T C 0.747 175.346 174.700 -0.168 0.000 1.117 1015 T CA -0.275 61.677 62.100 -0.246 0.000 1.034 1015 T CB -0.143 68.706 68.868 -0.033 0.000 0.968 1015 T HN 0.196 nan 8.240 nan 0.000 0.526 1016 F N -0.668 119.292 119.950 0.016 0.000 2.871 1016 F HA -0.205 4.321 4.527 -0.001 0.000 0.326 1016 F C 1.064 176.862 175.800 -0.004 0.000 0.675 1016 F CA -0.038 57.964 58.000 0.004 0.000 1.188 1016 F CB -2.343 36.655 39.000 -0.003 0.000 1.567 1016 F HN 0.250 nan 8.300 nan 0.000 0.325 1017 L N -0.933 120.362 121.223 0.120 0.000 2.418 1017 L HA 0.051 4.390 4.340 -0.001 0.000 0.218 1017 L C 1.147 178.038 176.870 0.034 0.000 1.125 1017 L CA 1.024 55.904 54.840 0.067 0.000 0.835 1017 L CB 0.046 42.127 42.059 0.037 0.000 0.953 1017 L HN 0.365 nan 8.230 nan 0.000 0.454 1018 Q N 0.458 120.277 119.800 0.033 0.000 2.305 1018 Q HA 0.271 4.611 4.340 -0.001 0.000 0.271 1018 Q C -1.191 174.824 176.000 0.026 0.000 1.046 1018 Q CA -0.715 55.096 55.803 0.013 0.000 0.798 1018 Q CB 1.893 30.625 28.738 -0.011 0.000 1.286 1018 Q HN 0.088 nan 8.270 nan 0.000 0.435 1019 N N 4.595 123.308 118.700 0.022 0.000 2.458 1019 N HA 0.192 4.931 4.740 -0.001 0.000 0.270 1019 N C 0.291 175.816 175.510 0.025 0.000 1.102 1019 N CA 0.178 53.248 53.050 0.033 0.000 0.967 1019 N CB 1.115 39.616 38.487 0.023 0.000 1.078 1019 N HN 0.644 nan 8.380 nan 0.000 0.471 1020 L N 0.512 121.755 121.223 0.033 0.000 2.470 1020 L HA 0.295 4.635 4.340 -0.001 0.000 0.219 1020 L C 0.628 177.525 176.870 0.045 0.000 1.071 1020 L CA 0.417 55.271 54.840 0.024 0.000 0.850 1020 L CB 0.328 42.391 42.059 0.005 0.000 1.040 1020 L HN 0.519 nan 8.230 nan 0.000 0.475 1021 E N -0.399 119.847 120.200 0.078 0.000 2.347 1021 E HA 0.126 4.475 4.350 -0.001 0.000 0.285 1021 E C -1.348 175.354 176.600 0.171 0.000 0.925 1021 E CA -0.542 55.923 56.400 0.107 0.000 0.779 1021 E CB 1.533 31.290 29.700 0.095 0.000 1.233 1021 E HN 0.104 nan 8.360 nan 0.000 0.414 1022 H N 5.778 124.873 119.070 0.043 0.000 2.604 1022 H HA 0.328 4.884 4.556 -0.001 0.000 0.306 1022 H C -0.721 174.633 175.328 0.043 0.000 1.075 1022 H CA -0.592 55.478 56.048 0.038 0.000 1.357 1022 H CB 0.669 30.444 29.762 0.021 0.000 1.426 1022 H HN 0.359 nan 8.280 nan 0.000 0.470 1023 L N 5.436 126.630 121.223 -0.048 0.000 2.276 1023 L HA 0.116 4.455 4.340 -0.001 0.000 0.286 1023 L C 0.211 176.955 176.870 -0.210 0.000 1.061 1023 L CA -0.818 53.968 54.840 -0.090 0.000 0.807 1023 L CB 1.059 43.123 42.059 0.008 0.000 1.177 1023 L HN 0.646 nan 8.230 nan 0.000 0.429 1024 D N 2.813 123.121 120.400 -0.154 0.000 2.455 1024 D HA 0.122 4.761 4.640 -0.001 0.000 0.241 1024 D C 1.208 177.460 176.300 -0.081 0.000 1.138 1024 D CA 1.156 55.075 54.000 -0.135 0.000 0.877 1024 D CB 1.266 42.018 40.800 -0.080 0.000 1.187 1024 D HN 0.851 nan 8.370 nan 0.000 0.451 1025 G N 2.752 111.512 108.800 -0.067 0.000 2.175 1025 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.265 1025 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.265 1025 G C 0.794 175.720 174.900 0.043 0.000 0.979 1025 G CA 0.481 45.575 45.100 -0.010 0.000 0.663 1025 G HN 0.637 nan 8.290 nan 0.000 0.533 1026 M N -2.620 116.972 119.600 -0.013 0.000 2.653 1026 M HA -0.186 4.293 4.480 -0.001 0.000 0.203 1026 M C 0.066 176.400 176.300 0.056 0.000 0.502 1026 M CA 0.880 56.175 55.300 -0.009 0.000 0.601 1026 M CB -1.881 30.692 32.600 -0.044 0.000 2.228 1026 M HN 0.228 nan 8.290 nan 0.000 0.711 1027 V N 0.700 120.629 119.914 0.026 0.000 2.398 1027 V HA 0.742 4.862 4.120 -0.001 0.000 0.286 1027 V C 0.570 176.592 176.094 -0.121 0.000 1.026 1027 V CA -0.335 61.967 62.300 0.004 0.000 0.868 1027 V CB 1.837 33.650 31.823 -0.016 0.000 0.982 1027 V HN 0.380 nan 8.190 nan 0.000 0.443 1028 A N 8.224 130.892 122.820 -0.254 0.000 2.279 1028 A HA 0.736 5.056 4.320 -0.001 0.000 0.306 1028 A C -2.244 175.070 177.584 -0.450 0.000 1.300 1028 A CA -1.443 50.220 52.037 -0.624 0.000 0.925 1028 A CB 0.141 18.491 19.000 -1.083 0.000 1.152 1028 A HN 0.609 nan 8.150 nan 0.000 0.544 1029 P HA 0.177 nan 4.420 nan 0.000 0.274 1029 P C -0.288 176.995 177.300 -0.028 0.000 1.231 1029 P CA -0.160 62.887 63.100 -0.088 0.000 0.790 1029 P CB 0.773 32.474 31.700 0.003 0.000 0.951 1030 E N -0.096 120.101 120.200 -0.005 0.000 2.392 1030 E HA 0.225 4.574 4.350 -0.001 0.000 0.259 1030 E C 0.228 176.872 176.600 0.073 0.000 1.108 1030 E CA -0.778 55.645 56.400 0.038 0.000 0.916 1030 E CB 0.648 30.353 29.700 0.008 0.000 0.989 1030 E HN 0.311 nan 8.360 nan 0.000 0.432 1031 V N -0.932 119.032 119.914 0.083 0.000 3.134 1031 V HA 0.296 4.416 4.120 -0.001 0.000 0.313 1031 V C 0.187 176.280 176.094 -0.001 0.000 1.069 1031 V CA -1.040 61.296 62.300 0.060 0.000 1.048 1031 V CB 1.145 33.007 31.823 0.066 0.000 1.119 1031 V HN 0.731 nan 8.190 nan 0.000 0.461 1032 c N 2.604 121.199 118.600 -0.009 0.000 2.595 1032 c HA 0.455 5.024 4.570 -0.001 0.000 0.384 1032 c C -2.072 171.960 174.090 -0.096 0.000 1.289 1032 c CA -0.371 55.935 56.329 -0.039 0.000 2.372 1032 c CB 0.037 42.541 42.510 -0.009 0.000 2.593 1032 c HN 0.827 nan 8.230 nan 0.000 0.639 1033 P HA 0.059 nan 4.420 nan 0.000 0.265 1033 P C 0.251 177.394 177.300 -0.261 0.000 1.193 1033 P CA 0.834 63.797 63.100 -0.230 0.000 0.765 1033 P CB 0.190 31.735 31.700 -0.259 0.000 0.823 1034 M N -1.296 118.100 119.600 -0.340 0.000 2.939 1034 M HA -0.179 4.300 4.480 -0.001 0.000 0.194 1034 M C -0.126 176.164 176.300 -0.017 0.000 0.617 1034 M CA 1.353 56.438 55.300 -0.358 0.000 0.734 1034 M CB -2.092 29.979 32.600 -0.881 0.000 2.637 1034 M HN 0.419 nan 8.290 nan 0.000 0.316 1035 E N 0.329 120.512 120.200 -0.028 0.000 2.227 1035 E HA 0.721 5.070 4.350 -0.001 0.000 0.268 1035 E C 0.037 176.696 176.600 0.098 0.000 0.990 1035 E CA -0.098 56.367 56.400 0.108 0.000 0.856 1035 E CB 1.464 31.195 29.700 0.052 0.000 1.159 1035 E HN 0.143 nan 8.360 nan 0.000 0.401 1036 T N 0.535 115.166 114.554 0.129 0.000 2.928 1036 T HA 0.675 5.024 4.350 -0.001 0.000 0.296 1036 T C -0.897 173.810 174.700 0.012 0.000 1.000 1036 T CA -0.644 61.541 62.100 0.141 0.000 0.989 1036 T CB 1.550 70.514 68.868 0.160 0.000 1.005 1036 T HN 0.508 nan 8.240 nan 0.000 0.442 1037 A N 2.010 124.839 122.820 0.016 0.000 2.469 1037 A HA 1.009 5.329 4.320 -0.001 0.000 0.299 1037 A C -0.982 176.491 177.584 -0.184 0.000 1.098 1037 A CA -0.938 51.012 52.037 -0.146 0.000 0.737 1037 A CB 1.538 20.408 19.000 -0.216 0.000 1.312 1037 A HN 1.110 nan 8.150 nan 0.000 0.414 1038 A N 0.220 122.840 122.820 -0.333 0.000 2.365 1038 A HA 0.826 5.145 4.320 -0.001 0.000 0.318 1038 A C -1.599 175.797 177.584 -0.313 0.000 1.091 1038 A CA -0.353 51.600 52.037 -0.140 0.000 0.763 1038 A CB 0.768 19.717 19.000 -0.085 0.000 1.248 1038 A HN 0.854 nan 8.150 nan 0.000 0.442 1039 Y N 0.035 120.553 120.300 0.364 0.000 2.512 1039 Y HA 0.578 5.127 4.550 -0.001 0.000 0.348 1039 Y C -0.278 175.799 175.900 0.294 0.000 0.990 1039 Y CA -0.906 57.363 58.100 0.282 0.000 1.033 1039 Y CB 2.494 41.080 38.460 0.211 0.000 1.259 1039 Y HN 0.415 nan 8.280 nan 0.000 0.461 1040 V N 2.420 122.538 119.914 0.340 0.000 2.483 1040 V HA 0.508 4.627 4.120 -0.001 0.000 0.297 1040 V C -0.678 175.505 176.094 0.147 0.000 1.027 1040 V CA -0.911 61.480 62.300 0.151 0.000 0.855 1040 V CB 1.775 33.622 31.823 0.041 0.000 0.995 1040 V HN 0.830 nan 8.190 nan 0.000 0.424 1041 S N 3.399 119.192 115.700 0.156 0.000 2.489 1041 S HA 0.722 5.191 4.470 -0.001 0.000 0.291 1041 S C -0.255 174.282 174.600 -0.106 0.000 1.151 1041 S CA -0.599 57.626 58.200 0.041 0.000 1.082 1041 S CB 1.650 64.963 63.200 0.188 0.000 1.019 1041 S HN 0.548 nan 8.310 nan 0.000 0.492 1042 S N 2.430 117.937 115.700 -0.322 0.000 2.472 1042 S HA 0.517 4.986 4.470 -0.001 0.000 0.303 1042 S C -0.895 173.339 174.600 -0.610 0.000 1.099 1042 S CA -0.756 57.274 58.200 -0.284 0.000 1.077 1042 S CB 0.456 63.574 63.200 -0.137 0.000 1.031 1042 S HN 0.775 nan 8.310 nan 0.000 0.487 1043 H N 0.975 120.034 119.070 -0.018 0.000 2.667 1043 H HA 0.281 4.836 4.556 -0.001 0.000 0.353 1043 H C 0.342 175.665 175.328 -0.008 0.000 1.072 1043 H CA -0.547 55.493 56.048 -0.014 0.000 1.214 1043 H CB 1.828 31.584 29.762 -0.010 0.000 1.600 1043 H HN 0.665 nan 8.280 nan 0.000 0.527 1044 S N 1.516 117.258 115.700 0.070 0.000 2.524 1044 S HA -0.010 4.460 4.470 -0.001 0.000 0.216 1044 S C 1.019 175.653 174.600 0.056 0.000 0.987 1044 S CA 0.208 58.435 58.200 0.045 0.000 0.909 1044 S CB 0.312 63.525 63.200 0.022 0.000 0.781 1044 S HN 0.673 nan 8.310 nan 0.000 0.521 1045 S N 0.000 115.749 115.700 0.082 0.000 2.498 1045 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.240 58.200 0.067 0.000 1.107 1045 S CB 0.000 63.236 63.200 0.059 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517