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 2f1b_1_A DATA FIRST_RESID 31 DATA SEQUENCE cQDVVQDVPN VDVQMLELYD RMSFKDIDGG VWKQGWNIKY DPLKYNAHHK DATA SEQUENCE LKVFVVPHSH NDPGWIQTFE EYYQHDTKHI LSNALRHLHD NPEMKFIWAE DATA SEQUENCE ISYFARFYHD LGENKKLQMK SIVKNGQLEF VTGGWVMPDE ANSHWRNVLL DATA SEQUENCE QLTEGQTWLK QFMNVTPTAS WAIDPFGHSP TMPYILQKSG FKNMLIQRTH DATA SEQUENCE YSVKKELAQQ RQLEFLWRQI WDNKGDTALF THMMPFYSYD IPHTcGPDPK DATA SEQUENCE VccQFDFKRM GSFGLScPWK VPPRTISDQN VAARSDLLVD QWKKKAELYR DATA SEQUENCE TNVLLIPLGD DFRFKQNTEW DVQRVNYERL FEHINSQAHF NVQAQFGTLQ DATA SEQUENCE EYFDAVHQAE RAGQAEFPTL SGDFFTYADR SDNYWSGYYT SRPYHKRMDR DATA SEQUENCE VLMHYVRAAE MLSAWHSWDG MARIEERLEQ ARRELSLFQH HDGITGTAKT DATA SEQUENCE HVVVDYEQRM QEALKACQMV MQQSVYRLLT KPSIYSPDFS FSYFTLDDSR DATA SEQUENCE WPGSGVEDSR TTIILGEDIL PSKHVVMHNT LPHWREQLVD FYVSSPFVSV DATA SEQUENCE TDLANNPVEA QVSPVWSWHH DTLTKTIHPQ GSTTKYRIIF KARVPPMGLA DATA SEQUENCE TYVLTISDSK PEHTSYASNL LLRKNPTSLP LGQYPEDVKF GDPREISLRV DATA SEQUENCE GNGPTLAFSE QGLLKSIQLT QDSPHVPVHF KFLKYGVRSH GDRSGAYLFL DATA SEQUENCE PNGPASPVEL GQPVVLVTKG KLESSVSVGL PSVVHQTIMR GGAPEIRNLV DATA SEQUENCE DIGSLDNTEI VMRLETHIDS GDIFYTDLNG LQFIKRRRLD KLPLQANYYP DATA SEQUENCE IPSGMFIEDA NTRLTLLTGQ PLGGSSLASG ELEIMQDRRL ASDDERGLGQ DATA SEQUENCE GVLDNKPVLH IYRLVLEKVN NcVRPSKLHP AGYLTSAAHK ASQSLLDPLD DATA SEQUENCE KFIFAENEWI GAQGQFGGDH PSAREDLDVS VMRRLTKSSA KTQRVGYVLH DATA SEQUENCE RTNLMQcGTP EEHTQKLDVc HLLPNVARcE RTTLTFLQNL EHLDGMVAPE DATA SEQUENCE VcPMETAAYV SSHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 31 c HA 0.000 nan 4.570 nan 0.000 0.325 31 c C 0.000 174.101 174.090 0.018 0.000 1.270 31 c CA 0.000 56.335 56.329 0.010 0.000 1.963 31 c CB 0.000 42.503 42.510 -0.012 0.000 2.134 32 Q N 1.379 121.206 119.800 0.044 0.000 2.392 32 Q HA 0.147 4.486 4.340 -0.001 0.000 0.262 32 Q C -0.220 175.806 176.000 0.045 0.000 1.003 32 Q CA 0.380 56.224 55.803 0.067 0.000 0.888 32 Q CB 0.804 29.619 28.738 0.130 0.000 1.260 32 Q HN 0.665 nan 8.270 nan 0.000 0.435 33 D N 1.675 122.103 120.400 0.048 0.000 2.339 33 D HA 0.059 4.698 4.640 -0.001 0.000 0.241 33 D C 0.551 176.894 176.300 0.071 0.000 1.183 33 D CA -0.277 53.733 54.000 0.017 0.000 0.859 33 D CB 1.184 41.994 40.800 0.017 0.000 1.067 33 D HN 0.374 nan 8.370 nan 0.000 0.484 34 V N 2.257 122.168 119.914 -0.006 0.000 3.623 34 V HA 0.053 4.173 4.120 -0.001 0.000 0.271 34 V C 1.167 177.318 176.094 0.094 0.000 1.248 34 V CA 0.240 62.596 62.300 0.093 0.000 1.156 34 V CB 0.038 31.747 31.823 -0.191 0.000 0.870 34 V HN 0.386 nan 8.190 nan 0.000 0.453 35 V N 0.003 119.887 119.914 -0.050 0.000 2.908 35 V HA 0.071 4.190 4.120 -0.001 0.000 0.240 35 V C 2.345 178.431 176.094 -0.013 0.000 1.117 35 V CA 1.267 63.502 62.300 -0.108 0.000 1.133 35 V CB -0.045 31.662 31.823 -0.194 0.000 0.857 35 V HN 0.482 nan 8.190 nan 0.000 0.478 36 Q N -0.165 119.666 119.800 0.052 0.000 2.408 36 Q HA 0.105 4.445 4.340 -0.001 0.000 0.205 36 Q C -0.449 175.633 176.000 0.137 0.000 0.919 36 Q CA 0.355 56.206 55.803 0.081 0.000 0.932 36 Q CB 0.494 29.251 28.738 0.033 0.000 1.058 36 Q HN 0.515 nan 8.270 nan 0.000 0.517 37 D N 1.308 121.820 120.400 0.186 0.000 2.441 37 D HA 0.171 4.811 4.640 -0.001 0.000 0.231 37 D C -0.669 175.738 176.300 0.178 0.000 1.073 37 D CA -0.258 53.836 54.000 0.157 0.000 0.850 37 D CB 2.062 42.932 40.800 0.117 0.000 1.062 37 D HN -0.167 nan 8.370 nan 0.000 0.524 38 V N 4.421 124.410 119.914 0.125 0.000 2.446 38 V HA 0.106 4.226 4.120 -0.001 0.000 0.276 38 V C -1.825 174.242 176.094 -0.044 0.000 1.030 38 V CA -1.051 61.241 62.300 -0.013 0.000 1.033 38 V CB 0.290 32.115 31.823 0.004 0.000 0.993 38 V HN 0.299 nan 8.190 nan 0.000 0.477 39 P HA 0.096 nan 4.420 nan 0.000 0.269 39 P C -0.493 176.776 177.300 -0.051 0.000 1.209 39 P CA -0.169 62.897 63.100 -0.058 0.000 0.776 39 P CB 0.373 32.022 31.700 -0.086 0.000 0.876 40 N N 2.421 121.107 118.700 -0.024 0.000 2.457 40 N HA 0.358 5.097 4.740 -0.001 0.000 0.250 40 N C -1.087 174.413 175.510 -0.017 0.000 0.982 40 N CA -0.530 52.509 53.050 -0.019 0.000 0.941 40 N CB 0.190 38.675 38.487 -0.004 0.000 1.120 40 N HN 0.121 nan 8.380 nan 0.000 0.505 41 V N 0.412 120.309 119.914 -0.028 0.000 3.001 41 V HA 0.544 4.664 4.120 -0.001 0.000 0.314 41 V C 0.506 176.584 176.094 -0.026 0.000 1.099 41 V CA -0.739 61.548 62.300 -0.023 0.000 0.989 41 V CB 2.034 33.832 31.823 -0.042 0.000 1.040 41 V HN 0.433 nan 8.190 nan 0.000 0.434 42 D N 0.814 121.204 120.400 -0.016 0.000 2.149 42 D HA 0.036 4.675 4.640 -0.001 0.000 0.201 42 D C 0.461 176.729 176.300 -0.054 0.000 0.972 42 D CA 1.572 55.560 54.000 -0.020 0.000 0.835 42 D CB 0.543 41.346 40.800 0.006 0.000 0.966 42 D HN 0.420 nan 8.370 nan 0.000 0.476 43 V N 1.477 121.337 119.914 -0.090 0.000 2.525 43 V HA 0.219 4.339 4.120 -0.001 0.000 0.299 43 V C -0.380 175.617 176.094 -0.163 0.000 1.034 43 V CA -0.762 61.455 62.300 -0.139 0.000 0.863 43 V CB 2.442 34.137 31.823 -0.214 0.000 0.999 43 V HN -0.089 nan 8.190 nan 0.000 0.423 44 Q N 4.556 124.272 119.800 -0.140 0.000 2.327 44 Q HA 0.441 4.780 4.340 -0.001 0.000 0.270 44 Q C 0.421 176.322 176.000 -0.164 0.000 1.022 44 Q CA -0.694 55.018 55.803 -0.151 0.000 0.773 44 Q CB 1.902 30.573 28.738 -0.112 0.000 1.251 44 Q HN 0.685 nan 8.270 nan 0.000 0.457 45 M N 3.048 122.503 119.600 -0.241 0.000 2.213 45 M HA -0.166 4.313 4.480 -0.001 0.000 0.263 45 M C 1.591 177.784 176.300 -0.178 0.000 1.062 45 M CA 0.989 56.134 55.300 -0.258 0.000 1.105 45 M CB -0.780 31.537 32.600 -0.472 0.000 1.385 45 M HN 0.564 nan 8.290 nan 0.000 0.417 46 L N 0.667 121.782 121.223 -0.180 0.000 2.093 46 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 46 L C 2.473 179.333 176.870 -0.016 0.000 1.085 46 L CA 1.795 56.560 54.840 -0.125 0.000 0.755 46 L CB -0.644 41.318 42.059 -0.161 0.000 0.904 46 L HN 0.253 nan 8.230 nan 0.000 0.435 47 E N -0.378 119.799 120.200 -0.037 0.000 2.072 47 E HA -0.218 4.132 4.350 -0.001 0.000 0.191 47 E C 2.189 178.801 176.600 0.020 0.000 0.985 47 E CA 1.315 57.708 56.400 -0.011 0.000 0.801 47 E CB -0.279 29.400 29.700 -0.035 0.000 0.750 47 E HN 0.442 nan 8.360 nan 0.000 0.452 48 L N 0.527 121.761 121.223 0.018 0.000 2.012 48 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 48 L C 2.299 179.241 176.870 0.119 0.000 1.073 48 L CA 1.691 56.551 54.840 0.034 0.000 0.748 48 L CB -1.009 41.058 42.059 0.013 0.000 0.891 48 L HN 0.121 nan 8.230 nan 0.000 0.431 49 Y N -0.067 120.235 120.300 0.004 0.000 2.207 49 Y HA -0.260 4.289 4.550 -0.001 0.000 0.287 49 Y C 2.567 178.554 175.900 0.146 0.000 1.156 49 Y CA 1.686 59.872 58.100 0.143 0.000 1.182 49 Y CB -0.692 37.855 38.460 0.145 0.000 0.979 49 Y HN 0.362 nan 8.280 nan 0.000 0.521 50 D N -0.523 119.987 120.400 0.184 0.000 2.144 50 D HA -0.124 4.516 4.640 -0.001 0.000 0.199 50 D C 2.020 178.359 176.300 0.066 0.000 0.984 50 D CA 1.232 55.294 54.000 0.103 0.000 0.834 50 D CB 0.071 40.906 40.800 0.058 0.000 0.955 50 D HN 0.294 nan 8.370 nan 0.000 0.465 51 R N -0.793 119.729 120.500 0.036 0.000 2.100 51 R HA 0.160 4.499 4.340 -0.001 0.000 0.220 51 R C 0.961 177.238 176.300 -0.037 0.000 1.091 51 R CA 0.128 56.225 56.100 -0.005 0.000 0.986 51 R CB -0.128 30.156 30.300 -0.027 0.000 0.888 51 R HN 0.224 nan 8.270 nan 0.000 0.444 52 M N 0.948 120.492 119.600 -0.093 0.000 2.252 52 M HA -0.042 4.437 4.480 -0.001 0.000 0.333 52 M C 1.503 177.730 176.300 -0.122 0.000 1.111 52 M CA 0.313 55.462 55.300 -0.252 0.000 1.140 52 M CB 0.938 33.120 32.600 -0.697 0.000 1.538 52 M HN 0.035 nan 8.290 nan 0.000 0.448 53 S N 1.375 116.990 115.700 -0.142 0.000 2.486 53 S HA 0.060 4.529 4.470 -0.001 0.000 0.220 53 S C 0.714 175.417 174.600 0.171 0.000 1.011 53 S CA -0.127 58.091 58.200 0.029 0.000 0.921 53 S CB -0.216 62.981 63.200 -0.006 0.000 0.785 53 S HN 0.743 nan 8.310 nan 0.000 0.517 54 F N 0.693 120.576 119.950 -0.111 0.000 3.084 54 F HA -0.143 4.383 4.527 -0.001 0.000 0.286 54 F C 0.202 176.020 175.800 0.029 0.000 0.855 54 F CA 0.471 58.416 58.000 -0.092 0.000 1.091 54 F CB -1.960 36.962 39.000 -0.131 0.000 1.177 54 F HN 0.132 nan 8.300 nan 0.000 0.542 55 K N 1.109 121.589 120.400 0.133 0.000 2.350 55 K HA 0.148 4.467 4.320 -0.001 0.000 0.279 55 K C 0.276 176.988 176.600 0.187 0.000 1.027 55 K CA -0.137 56.233 56.287 0.140 0.000 0.969 55 K CB 0.560 33.103 32.500 0.072 0.000 0.954 55 K HN 0.066 nan 8.250 nan 0.000 0.474 56 D N 3.611 124.133 120.400 0.203 0.000 2.564 56 D HA 0.125 4.764 4.640 -0.001 0.000 0.226 56 D C -0.206 176.141 176.300 0.077 0.000 1.149 56 D CA -0.386 53.736 54.000 0.204 0.000 0.994 56 D CB -0.347 40.582 40.800 0.215 0.000 1.029 56 D HN 0.494 nan 8.370 nan 0.000 0.517 57 I N -0.302 120.301 120.570 0.055 0.000 2.577 57 I HA 0.403 4.573 4.170 -0.001 0.000 0.305 57 I C -0.301 175.807 176.117 -0.015 0.000 0.986 57 I CA -0.718 60.591 61.300 0.016 0.000 1.189 57 I CB 1.721 39.730 38.000 0.015 0.000 1.355 57 I HN -0.049 nan 8.210 nan 0.000 0.476 58 D N 4.517 124.906 120.400 -0.017 0.000 2.346 58 D HA 0.164 4.803 4.640 -0.001 0.000 0.260 58 D C 0.861 177.147 176.300 -0.023 0.000 1.252 58 D CA 0.145 54.128 54.000 -0.027 0.000 0.895 58 D CB 1.345 42.136 40.800 -0.014 0.000 1.097 58 D HN 0.800 nan 8.370 nan 0.000 0.489 59 G N 2.409 111.177 108.800 -0.052 0.000 2.985 59 G HA2 0.423 4.382 3.960 -0.001 0.000 0.209 59 G HA3 0.423 4.382 3.960 -0.001 0.000 0.209 59 G C 0.877 175.776 174.900 -0.000 0.000 1.165 59 G CA 0.387 45.459 45.100 -0.046 0.000 0.776 59 G HN 0.899 nan 8.290 nan 0.000 0.541 60 G N -0.646 108.159 108.800 0.008 0.000 2.418 60 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.206 60 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.206 60 G C 1.143 176.064 174.900 0.035 0.000 1.202 60 G CA 0.584 45.701 45.100 0.029 0.000 1.061 60 G HN 1.085 nan 8.290 nan 0.000 0.563 61 V N -3.645 116.289 119.914 0.034 0.000 2.469 61 V HA 0.072 4.191 4.120 -0.001 0.000 0.251 61 V C 1.408 177.529 176.094 0.045 0.000 1.064 61 V CA 2.402 64.705 62.300 0.005 0.000 1.066 61 V CB -0.531 31.264 31.823 -0.048 0.000 0.667 61 V HN 1.392 nan 8.190 nan 0.000 0.461 62 W N 2.563 123.775 121.300 -0.147 0.000 2.318 62 W HA 0.443 5.102 4.660 -0.001 0.000 0.362 62 W C 1.131 177.610 176.519 -0.066 0.000 0.978 62 W CA -1.820 55.427 57.345 -0.163 0.000 1.509 62 W CB 0.347 29.684 29.460 -0.205 0.000 1.437 62 W HN 0.033 nan 8.180 nan 0.000 0.361 63 K N 2.641 123.124 120.400 0.138 0.000 2.113 63 K HA -0.204 4.116 4.320 -0.001 0.000 0.208 63 K C 0.909 177.428 176.600 -0.135 0.000 1.047 63 K CA 1.626 57.904 56.287 -0.016 0.000 0.928 63 K CB 0.094 32.580 32.500 -0.024 0.000 0.716 63 K HN 0.565 nan 8.250 nan 0.000 0.446 64 Q N -0.774 118.912 119.800 -0.190 0.000 2.188 64 Q HA 0.160 4.500 4.340 -0.001 0.000 0.212 64 Q C 0.798 176.453 176.000 -0.576 0.000 0.846 64 Q CA -0.302 55.366 55.803 -0.225 0.000 0.989 64 Q CB 1.215 29.953 28.738 0.001 0.000 1.114 64 Q HN 0.228 nan 8.270 nan 0.000 0.488 65 G N 0.583 108.612 108.800 -1.284 0.000 3.392 65 G HA2 0.535 4.495 3.960 -0.001 0.000 0.185 65 G HA3 0.535 4.495 3.960 -0.001 0.000 0.185 65 G C -1.431 173.138 174.900 -0.551 0.000 1.206 65 G CA -0.334 43.682 45.100 -1.807 0.000 0.776 65 G HN 0.363 nan 8.290 nan 0.000 0.697 66 W N -1.477 119.526 121.300 -0.496 0.000 2.959 66 W HA 0.629 5.289 4.660 -0.000 0.000 0.358 66 W C -1.509 175.089 176.519 0.131 0.000 1.228 66 W CA -1.176 56.109 57.345 -0.100 0.000 1.183 66 W CB 0.604 30.020 29.460 -0.072 0.000 1.467 66 W HN 0.194 nan 8.180 nan 0.000 0.578 67 N N 2.064 120.915 118.700 0.251 0.000 2.399 67 N HA 0.216 4.955 4.740 -0.001 0.000 0.259 67 N C -0.323 175.322 175.510 0.225 0.000 1.160 67 N CA 0.051 53.204 53.050 0.171 0.000 0.946 67 N CB 0.269 38.857 38.487 0.168 0.000 1.156 67 N HN 0.413 nan 8.380 nan 0.000 0.489 68 I N 2.139 122.747 120.570 0.064 0.000 2.556 68 I HA 0.011 4.180 4.170 -0.001 0.000 0.284 68 I C 0.825 177.106 176.117 0.272 0.000 1.114 68 I CA 0.276 61.684 61.300 0.180 0.000 1.418 68 I CB 0.501 38.555 38.000 0.090 0.000 1.394 68 I HN 0.134 nan 8.210 nan 0.000 0.552 69 K N 6.140 126.737 120.400 0.328 0.000 2.267 69 K HA 0.629 4.949 4.320 -0.001 0.000 0.246 69 K C -1.328 175.455 176.600 0.306 0.000 0.954 69 K CA -0.696 55.724 56.287 0.222 0.000 0.824 69 K CB 2.233 34.826 32.500 0.155 0.000 1.167 69 K HN 0.497 nan 8.250 nan 0.000 0.431 70 Y N -2.078 118.309 120.300 0.144 0.000 2.597 70 Y HA 0.415 4.965 4.550 -0.001 0.000 0.340 70 Y C -1.299 174.669 175.900 0.114 0.000 1.097 70 Y CA -1.513 56.673 58.100 0.142 0.000 1.037 70 Y CB 1.237 39.799 38.460 0.170 0.000 1.305 70 Y HN 0.392 nan 8.280 nan 0.000 0.463 71 D N 3.336 123.894 120.400 0.263 0.000 2.347 71 D HA 0.338 4.977 4.640 -0.001 0.000 0.235 71 D C -1.822 174.633 176.300 0.259 0.000 1.149 71 D CA -2.694 51.396 54.000 0.149 0.000 0.850 71 D CB 1.642 42.504 40.800 0.103 0.000 1.061 71 D HN 0.391 nan 8.370 nan 0.000 0.487 72 P HA -0.109 nan 4.420 nan 0.000 0.220 72 P C 1.377 178.812 177.300 0.224 0.000 1.144 72 P CA 0.804 64.084 63.100 0.300 0.000 0.800 72 P CB 0.222 32.036 31.700 0.189 0.000 0.772 73 L N -0.835 120.472 121.223 0.140 0.000 2.610 73 L HA 0.040 4.380 4.340 -0.001 0.000 0.232 73 L C 2.507 179.416 176.870 0.066 0.000 1.149 73 L CA 0.552 55.452 54.840 0.099 0.000 0.872 73 L CB -0.672 41.425 42.059 0.064 0.000 0.992 73 L HN -0.018 nan 8.230 nan 0.000 0.447 74 K N 0.286 120.706 120.400 0.034 0.000 2.097 74 K HA -0.137 4.182 4.320 -0.001 0.000 0.206 74 K C -0.046 176.424 176.600 -0.217 0.000 1.049 74 K CA 1.115 57.315 56.287 -0.146 0.000 0.933 74 K CB 0.114 32.443 32.500 -0.286 0.000 0.717 74 K HN 0.057 nan 8.250 nan 0.000 0.442 75 Y N 0.713 121.129 120.300 0.193 0.000 2.361 75 Y HA 0.245 4.795 4.550 -0.000 0.000 0.332 75 Y C 0.011 175.985 175.900 0.123 0.000 1.101 75 Y CA -0.934 57.267 58.100 0.168 0.000 1.137 75 Y CB 1.453 39.961 38.460 0.080 0.000 1.207 75 Y HN 0.294 nan 8.280 nan 0.000 0.463 76 N N -0.879 117.961 118.700 0.235 0.000 3.308 76 N HA 0.495 5.234 4.740 -0.001 0.000 0.276 76 N C 0.081 175.606 175.510 0.026 0.000 1.533 76 N CA -0.405 52.712 53.050 0.112 0.000 0.878 76 N CB 0.280 38.821 38.487 0.089 0.000 1.566 76 N HN 0.457 nan 8.380 nan 0.000 0.546 77 A N -1.086 121.661 122.820 -0.121 0.000 1.997 77 A HA -0.227 4.093 4.320 -0.001 0.000 0.221 77 A C 0.990 178.402 177.584 -0.287 0.000 1.172 77 A CA 1.601 53.477 52.037 -0.269 0.000 0.645 77 A CB -1.143 17.586 19.000 -0.452 0.000 0.813 77 A HN 0.703 nan 8.150 nan 0.000 0.454 78 H N -2.612 116.515 119.070 0.096 0.000 2.551 78 H HA 0.140 4.695 4.556 -0.001 0.000 0.271 78 H C -0.011 175.425 175.328 0.180 0.000 0.984 78 H CA 0.596 56.706 56.048 0.103 0.000 1.164 78 H CB 0.053 29.863 29.762 0.079 0.000 1.437 78 H HN 0.707 nan 8.280 nan 0.000 0.550 79 H N 0.752 119.902 119.070 0.133 0.000 2.895 79 H HA 0.237 4.793 4.556 -0.000 0.000 0.282 79 H C -0.799 174.667 175.328 0.230 0.000 1.338 79 H CA -0.294 55.849 56.048 0.157 0.000 1.595 79 H CB 0.723 30.565 29.762 0.133 0.000 1.771 79 H HN 0.111 nan 8.280 nan 0.000 0.573 80 K N 2.424 122.796 120.400 -0.046 0.000 2.095 80 K HA 0.254 4.573 4.320 -0.001 0.000 0.252 80 K C -0.442 175.989 176.600 -0.282 0.000 0.977 80 K CA -1.145 55.092 56.287 -0.084 0.000 0.900 80 K CB 2.023 34.460 32.500 -0.105 0.000 1.060 80 K HN 0.150 nan 8.250 nan 0.000 0.449 81 L N 2.248 123.169 121.223 -0.503 0.000 2.281 81 L HA 0.206 4.546 4.340 -0.001 0.000 0.285 81 L C -0.632 175.957 176.870 -0.468 0.000 1.074 81 L CA -0.066 54.333 54.840 -0.734 0.000 0.817 81 L CB 0.338 41.755 42.059 -1.071 0.000 1.168 81 L HN 0.384 nan 8.230 nan 0.000 0.434 82 K N 4.146 124.296 120.400 -0.415 0.000 2.234 82 K HA 0.560 4.879 4.320 -0.001 0.000 0.277 82 K C -1.517 174.728 176.600 -0.591 0.000 1.038 82 K CA -0.401 55.595 56.287 -0.485 0.000 0.888 82 K CB 1.027 33.284 32.500 -0.405 0.000 1.091 82 K HN 0.449 nan 8.250 nan 0.000 0.467 83 V N 5.954 125.416 119.914 -0.754 0.000 2.417 83 V HA 0.462 4.581 4.120 -0.001 0.000 0.291 83 V C -0.925 174.633 176.094 -0.893 0.000 1.024 83 V CA -0.685 61.123 62.300 -0.820 0.000 0.861 83 V CB 0.759 31.922 31.823 -1.099 0.000 0.985 83 V HN 0.599 nan 8.190 nan 0.000 0.436 84 F N 3.726 123.421 119.950 -0.425 0.000 2.375 84 F HA 0.504 5.030 4.527 -0.001 0.000 0.361 84 F C 0.160 175.774 175.800 -0.309 0.000 1.117 84 F CA -0.705 57.101 58.000 -0.324 0.000 1.037 84 F CB 1.766 40.645 39.000 -0.202 0.000 1.192 84 F HN 0.184 nan 8.300 nan 0.000 0.452 85 V N 5.019 124.888 119.914 -0.074 0.000 2.406 85 V HA 0.312 4.431 4.120 -0.001 0.000 0.272 85 V C -0.190 175.993 176.094 0.149 0.000 1.043 85 V CA -0.641 61.677 62.300 0.030 0.000 0.915 85 V CB 1.286 33.194 31.823 0.141 0.000 0.988 85 V HN 0.423 nan 8.190 nan 0.000 0.466 86 V N 8.253 128.208 119.914 0.068 0.000 2.293 86 V HA 0.317 4.437 4.120 -0.001 0.000 0.275 86 V C -2.367 173.760 176.094 0.055 0.000 1.021 86 V CA -1.914 60.394 62.300 0.015 0.000 0.815 86 V CB 1.434 33.178 31.823 -0.132 0.000 1.025 86 V HN 0.730 nan 8.190 nan 0.000 0.448 87 P HA 0.341 nan 4.420 nan 0.000 0.271 87 P C -0.875 176.413 177.300 -0.021 0.000 1.216 87 P CA 0.237 63.296 63.100 -0.067 0.000 0.776 87 P CB 0.368 31.830 31.700 -0.396 0.000 0.881 88 H N -1.219 117.837 119.070 -0.023 0.000 3.017 88 H HA 0.784 5.340 4.556 -0.001 0.000 0.346 88 H C -1.502 173.916 175.328 0.151 0.000 1.286 88 H CA -1.104 54.834 56.048 -0.183 0.000 1.120 88 H CB 0.947 30.575 29.762 -0.223 0.000 1.860 88 H HN 0.187 nan 8.280 nan 0.000 0.542 89 S N 0.742 116.446 115.700 0.007 0.000 2.776 89 S HA 0.201 4.671 4.470 -0.001 0.000 0.284 89 S C -1.804 172.712 174.600 -0.139 0.000 1.160 89 S CA -0.656 57.592 58.200 0.079 0.000 1.051 89 S CB 0.115 63.545 63.200 0.383 0.000 1.037 89 S HN 0.821 nan 8.310 nan 0.000 0.485 90 H N 4.190 123.157 119.070 -0.173 0.000 2.864 90 H HA 0.467 5.022 4.556 -0.001 0.000 0.281 90 H C -0.586 174.333 175.328 -0.681 0.000 1.093 90 H CA 0.215 56.068 56.048 -0.326 0.000 1.453 90 H CB 0.129 29.737 29.762 -0.257 0.000 1.462 90 H HN 0.494 nan 8.280 nan 0.000 0.480 91 N N 4.711 122.768 118.700 -1.072 0.000 2.558 91 N HA 0.121 4.861 4.740 -0.001 0.000 0.242 91 N C -1.278 173.757 175.510 -0.791 0.000 0.979 91 N CA -0.635 51.618 53.050 -1.328 0.000 0.931 91 N CB 0.877 38.877 38.487 -0.812 0.000 1.122 91 N HN 0.555 nan 8.380 nan 0.000 0.508 92 D N 2.303 122.253 120.400 -0.749 0.000 2.383 92 D HA 0.096 4.735 4.640 -0.001 0.000 0.252 92 D C -2.061 174.288 176.300 0.081 0.000 1.166 92 D CA -0.954 52.905 54.000 -0.235 0.000 0.879 92 D CB 1.215 42.118 40.800 0.172 0.000 1.164 92 D HN 0.255 nan 8.370 nan 0.000 0.462 93 P HA 0.216 nan 4.420 nan 0.000 0.226 93 P C -0.086 177.420 177.300 0.344 0.000 1.783 93 P CA -0.051 63.080 63.100 0.051 0.000 0.980 93 P CB 0.277 31.875 31.700 -0.170 0.000 1.967 94 G N 0.404 109.585 108.800 0.636 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 -1.114 174.331 174.900 0.907 0.000 1.119 94 G CA -0.647 44.862 45.100 0.682 0.000 0.790 94 G HN 0.351 nan 8.290 nan 0.000 0.605 95 W N 2.422 124.079 121.300 0.595 0.000 4.489 95 W HA 0.284 4.944 4.660 -0.001 0.000 0.161 95 W C 0.938 177.647 176.519 0.317 0.000 3.472 95 W CA 0.932 58.589 57.345 0.520 0.000 1.144 95 W CB -0.794 29.050 29.460 0.640 0.000 2.110 95 W HN 0.512 nan 8.180 nan 0.000 0.358 96 I N 1.900 122.542 120.570 0.120 0.000 2.716 96 I HA 0.125 4.295 4.170 -0.001 0.000 0.259 96 I C 0.463 176.487 176.117 -0.155 0.000 1.172 96 I CA 1.167 62.344 61.300 -0.205 0.000 1.478 96 I CB -1.189 36.666 38.000 -0.241 0.000 1.104 96 I HN 0.106 nan 8.210 nan 0.000 0.439 97 Q N -0.143 119.410 119.800 -0.412 0.000 2.458 97 Q HA 0.373 4.713 4.340 -0.001 0.000 0.282 97 Q C 0.108 175.883 176.000 -0.374 0.000 1.106 97 Q CA -0.638 54.863 55.803 -0.503 0.000 0.814 97 Q CB 2.156 30.316 28.738 -0.965 0.000 1.425 97 Q HN 0.240 nan 8.270 nan 0.000 0.437 98 T N -2.144 112.301 114.554 -0.182 0.000 2.766 98 T HA 0.117 4.467 4.350 -0.001 0.000 0.295 98 T C 0.801 175.603 174.700 0.171 0.000 1.024 98 T CA -0.450 61.617 62.100 -0.055 0.000 1.018 98 T CB 0.301 69.162 68.868 -0.011 0.000 1.002 98 T HN 0.565 nan 8.240 nan 0.000 0.532 99 F N 1.228 121.257 119.950 0.131 0.000 2.063 99 F HA -0.150 4.376 4.527 -0.001 0.000 0.298 99 F C 2.476 178.461 175.800 0.308 0.000 1.109 99 F CA 2.409 60.556 58.000 0.245 0.000 1.212 99 F CB -0.389 38.647 39.000 0.059 0.000 0.973 99 F HN 0.772 nan 8.300 nan 0.000 0.480 100 E N 0.392 120.808 120.200 0.360 0.000 2.106 100 E HA -0.180 4.169 4.350 -0.001 0.000 0.192 100 E C 2.015 178.668 176.600 0.089 0.000 0.984 100 E CA 1.728 58.273 56.400 0.243 0.000 0.806 100 E CB -0.287 29.554 29.700 0.235 0.000 0.750 100 E HN 0.624 nan 8.360 nan 0.000 0.458 101 E N -1.092 119.107 120.200 -0.003 0.000 2.047 101 E HA -0.182 4.167 4.350 -0.001 0.000 0.191 101 E C 1.821 178.239 176.600 -0.303 0.000 0.987 101 E CA 1.143 57.394 56.400 -0.249 0.000 0.799 101 E CB -0.236 29.380 29.700 -0.140 0.000 0.752 101 E HN 0.354 nan 8.360 nan 0.000 0.449 102 Y N -0.648 119.610 120.300 -0.068 0.000 2.224 102 Y HA -0.241 4.309 4.550 -0.001 0.000 0.289 102 Y C 2.164 177.999 175.900 -0.107 0.000 1.146 102 Y CA 1.201 59.240 58.100 -0.102 0.000 1.182 102 Y CB -0.628 37.846 38.460 0.025 0.000 0.983 102 Y HN 0.195 nan 8.280 nan 0.000 0.524 103 Y N 0.827 121.138 120.300 0.018 0.000 2.181 103 Y HA -0.265 4.284 4.550 -0.001 0.000 0.288 103 Y C 2.247 178.104 175.900 -0.072 0.000 1.146 103 Y CA 1.753 59.819 58.100 -0.057 0.000 1.164 103 Y CB -0.284 38.136 38.460 -0.067 0.000 0.982 103 Y HN 0.040 nan 8.280 nan 0.000 0.515 104 Q N -0.688 119.003 119.800 -0.181 0.000 2.123 104 Q HA -0.147 4.193 4.340 -0.001 0.000 0.199 104 Q C 2.060 178.004 176.000 -0.093 0.000 0.966 104 Q CA 2.077 57.741 55.803 -0.232 0.000 0.845 104 Q CB -0.494 28.146 28.738 -0.163 0.000 0.907 104 Q HN 0.772 nan 8.270 nan 0.000 0.439 105 H N -0.736 118.351 119.070 0.029 0.000 2.465 105 H HA 0.063 4.618 4.556 -0.001 0.000 0.289 105 H C 0.978 176.399 175.328 0.154 0.000 1.022 105 H CA 0.708 56.807 56.048 0.086 0.000 1.340 105 H CB 0.666 30.443 29.762 0.026 0.000 1.437 105 H HN 0.197 nan 8.280 nan 0.000 0.539 106 D N -0.969 119.532 120.400 0.169 0.000 3.050 106 D HA 0.012 4.651 4.640 -0.001 0.000 0.281 106 D C 1.685 178.043 176.300 0.097 0.000 1.246 106 D CA 0.568 54.660 54.000 0.154 0.000 1.073 106 D CB 0.084 40.879 40.800 -0.008 0.000 1.382 106 D HN 0.089 nan 8.370 nan 0.000 0.433 107 T N 2.452 116.981 114.554 -0.042 0.000 2.821 107 T HA -0.135 4.215 4.350 -0.001 0.000 0.267 107 T C 1.947 176.490 174.700 -0.261 0.000 1.046 107 T CA 1.296 63.341 62.100 -0.093 0.000 1.139 107 T CB -0.058 68.614 68.868 -0.327 0.000 0.871 107 T HN 0.247 nan 8.240 nan 0.000 0.454 108 K N 0.737 120.795 120.400 -0.570 0.000 2.211 108 K HA -0.132 4.188 4.320 -0.001 0.000 0.203 108 K C 1.887 178.250 176.600 -0.395 0.000 1.050 108 K CA 1.327 57.267 56.287 -0.579 0.000 0.945 108 K CB -0.329 31.601 32.500 -0.950 0.000 0.732 108 K HN 0.398 nan 8.250 nan 0.000 0.451 109 H N 0.975 119.980 119.070 -0.109 0.000 2.403 109 H HA 0.078 4.634 4.556 -0.001 0.000 0.298 109 H C 2.272 177.606 175.328 0.011 0.000 1.059 109 H CA 1.285 57.324 56.048 -0.015 0.000 1.363 109 H CB -0.109 29.667 29.762 0.023 0.000 1.410 109 H HN 0.176 nan 8.280 nan 0.000 0.528 110 I N 0.823 121.478 120.570 0.142 0.000 2.163 110 I HA -0.272 3.898 4.170 -0.001 0.000 0.243 110 I C 2.414 178.550 176.117 0.032 0.000 1.085 110 I CA 1.120 62.549 61.300 0.215 0.000 1.347 110 I CB -0.250 37.947 38.000 0.328 0.000 1.044 110 I HN 0.099 nan 8.210 nan 0.000 0.408 111 L N -0.461 120.560 121.223 -0.337 0.000 2.093 111 L HA -0.154 4.186 4.340 -0.001 0.000 0.208 111 L C 2.646 179.173 176.870 -0.571 0.000 1.085 111 L CA 1.005 55.404 54.840 -0.735 0.000 0.755 111 L CB -0.460 40.595 42.059 -1.674 0.000 0.904 111 L HN 0.159 nan 8.230 nan 0.000 0.435 112 S N -0.060 115.430 115.700 -0.350 0.000 2.368 112 S HA -0.107 4.362 4.470 -0.001 0.000 0.224 112 S C 1.699 176.266 174.600 -0.054 0.000 1.029 112 S CA 1.110 59.331 58.200 0.035 0.000 0.988 112 S CB -0.202 63.093 63.200 0.157 0.000 0.838 112 S HN 0.444 nan 8.310 nan 0.000 0.462 113 N N 1.680 120.338 118.700 -0.070 0.000 2.354 113 N HA 0.130 4.869 4.740 -0.001 0.000 0.179 113 N C 1.697 176.857 175.510 -0.583 0.000 1.021 113 N CA 0.955 53.891 53.050 -0.190 0.000 0.887 113 N CB -0.495 37.996 38.487 0.005 0.000 0.974 113 N HN 0.381 nan 8.380 nan 0.000 0.437 114 A N 1.059 123.605 122.820 -0.456 0.000 1.902 114 A HA -0.083 4.236 4.320 -0.001 0.000 0.217 114 A C 2.183 179.479 177.584 -0.479 0.000 1.181 114 A CA 0.916 52.518 52.037 -0.725 0.000 0.623 114 A CB -0.673 18.179 19.000 -0.246 0.000 0.818 114 A HN 0.228 nan 8.150 nan 0.000 0.443 115 L N 0.143 121.227 121.223 -0.231 0.000 2.017 115 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 115 L C 2.463 179.249 176.870 -0.141 0.000 1.073 115 L CA 2.545 57.323 54.840 -0.102 0.000 0.745 115 L CB -0.648 41.420 42.059 0.015 0.000 0.894 115 L HN 0.499 nan 8.230 nan 0.000 0.432 116 R N -1.694 118.693 120.500 -0.189 0.000 2.073 116 R HA -0.210 4.130 4.340 -0.001 0.000 0.234 116 R C 2.455 178.628 176.300 -0.213 0.000 1.134 116 R CA 1.603 57.603 56.100 -0.166 0.000 0.952 116 R CB -0.689 29.525 30.300 -0.143 0.000 0.850 116 R HN 0.564 nan 8.270 nan 0.000 0.433 117 H N 0.781 119.556 119.070 -0.492 0.000 2.290 117 H HA -0.123 4.432 4.556 -0.001 0.000 0.298 117 H C 2.255 177.388 175.328 -0.325 0.000 1.087 117 H CA 2.244 57.985 56.048 -0.512 0.000 1.291 117 H CB -0.108 29.033 29.762 -1.035 0.000 1.369 117 H HN 0.216 nan 8.280 nan 0.000 0.492 118 L N -0.208 120.840 121.223 -0.292 0.000 2.046 118 L HA -0.223 4.117 4.340 -0.001 0.000 0.208 118 L C 2.811 179.642 176.870 -0.065 0.000 1.077 118 L CA 1.367 56.123 54.840 -0.140 0.000 0.747 118 L CB -0.757 41.237 42.059 -0.108 0.000 0.896 118 L HN 0.442 nan 8.230 nan 0.000 0.432 119 H N 0.480 119.464 119.070 -0.142 0.000 2.352 119 H HA -0.196 4.360 4.556 -0.001 0.000 0.299 119 H C 1.286 176.551 175.328 -0.105 0.000 1.097 119 H CA 2.007 57.998 56.048 -0.095 0.000 1.311 119 H CB 0.218 29.930 29.762 -0.084 0.000 1.377 119 H HN 0.341 nan 8.280 nan 0.000 0.504 120 D N 0.195 120.535 120.400 -0.100 0.000 2.347 120 D HA -0.021 4.618 4.640 -0.001 0.000 0.213 120 D C -0.075 176.118 176.300 -0.177 0.000 0.985 120 D CA 0.491 54.391 54.000 -0.168 0.000 0.879 120 D CB -0.142 40.566 40.800 -0.154 0.000 0.919 120 D HN 0.407 nan 8.370 nan 0.000 0.526 121 N N 0.732 119.337 118.700 -0.158 0.000 2.746 121 N HA 0.152 4.891 4.740 -0.001 0.000 0.250 121 N C -2.096 173.399 175.510 -0.024 0.000 1.146 121 N CA -1.110 51.897 53.050 -0.071 0.000 0.828 121 N CB 2.148 40.612 38.487 -0.038 0.000 1.158 121 N HN -0.173 nan 8.380 nan 0.000 0.519 122 P HA -0.195 nan 4.420 nan 0.000 0.220 122 P C 0.497 177.823 177.300 0.043 0.000 1.144 122 P CA 1.372 64.467 63.100 -0.008 0.000 0.800 122 P CB 0.472 32.158 31.700 -0.022 0.000 0.772 123 E N -1.628 118.628 120.200 0.094 0.000 2.474 123 E HA 0.080 4.430 4.350 -0.001 0.000 0.194 123 E C 0.888 177.626 176.600 0.230 0.000 1.041 123 E CA -0.134 56.365 56.400 0.166 0.000 0.874 123 E CB -0.302 29.525 29.700 0.212 0.000 0.914 123 E HN 0.257 nan 8.360 nan 0.000 0.498 124 M N 1.550 121.225 119.600 0.125 0.000 2.242 124 M HA 0.116 4.596 4.480 -0.001 0.000 0.344 124 M C -0.352 175.942 176.300 -0.010 0.000 1.140 124 M CA 0.188 55.464 55.300 -0.040 0.000 1.160 124 M CB 0.496 33.078 32.600 -0.030 0.000 1.491 124 M HN -0.367 nan 8.290 nan 0.000 0.459 125 K N 3.088 123.447 120.400 -0.070 0.000 2.444 125 K HA 0.658 4.977 4.320 -0.001 0.000 0.252 125 K C -1.734 174.907 176.600 0.068 0.000 0.993 125 K CA -0.472 55.828 56.287 0.021 0.000 0.847 125 K CB 2.162 34.696 32.500 0.057 0.000 1.340 125 K HN 0.681 nan 8.250 nan 0.000 0.446 126 F N 1.335 121.203 119.950 -0.137 0.000 2.672 126 F HA 0.451 4.978 4.527 -0.001 0.000 0.311 126 F C -1.502 174.192 175.800 -0.177 0.000 1.113 126 F CA -1.227 56.676 58.000 -0.162 0.000 0.996 126 F CB 1.030 40.015 39.000 -0.026 0.000 1.286 126 F HN 0.452 nan 8.300 nan 0.000 0.441 127 I N 1.792 122.019 120.570 -0.571 0.000 2.603 127 I HA 0.605 4.774 4.170 -0.001 0.000 0.300 127 I C -1.755 173.932 176.117 -0.716 0.000 1.017 127 I CA -0.618 60.315 61.300 -0.612 0.000 1.098 127 I CB 2.514 40.098 38.000 -0.693 0.000 1.279 127 I HN 0.698 nan 8.210 nan 0.000 0.437 128 W N 4.559 125.466 121.300 -0.655 0.000 2.839 128 W HA 0.641 5.300 4.660 -0.001 0.000 0.334 128 W C -0.762 175.670 176.519 -0.145 0.000 1.064 128 W CA -0.541 56.547 57.345 -0.428 0.000 1.236 128 W CB 2.684 31.945 29.460 -0.331 0.000 1.405 128 W HN 0.786 nan 8.180 nan 0.000 0.478 129 A N 3.420 125.863 122.820 -0.628 0.000 2.013 129 A HA 0.164 4.483 4.320 -0.001 0.000 0.204 129 A C -0.039 177.496 177.584 -0.082 0.000 1.262 129 A CA 0.441 52.355 52.037 -0.205 0.000 0.800 129 A CB 0.016 18.949 19.000 -0.111 0.000 0.909 129 A HN 0.501 nan 8.150 nan 0.000 0.472 130 E N 1.027 121.073 120.200 -0.257 0.000 2.001 130 E HA 0.305 4.655 4.350 -0.001 0.000 0.279 130 E C 0.442 177.206 176.600 0.273 0.000 1.045 130 E CA -0.279 56.140 56.400 0.032 0.000 0.833 130 E CB 0.748 30.464 29.700 0.027 0.000 1.077 130 E HN 0.271 nan 8.360 nan 0.000 0.397 131 I N 1.559 122.187 120.570 0.097 0.000 2.761 131 I HA -0.188 3.982 4.170 -0.001 0.000 0.261 131 I C 1.938 177.712 176.117 -0.571 0.000 1.198 131 I CA 0.883 62.165 61.300 -0.031 0.000 1.482 131 I CB -1.374 36.658 38.000 0.052 0.000 1.100 131 I HN 0.418 nan 8.210 nan 0.000 0.445 132 S N 1.121 116.197 115.700 -1.040 0.000 2.365 132 S HA -0.263 4.207 4.470 -0.001 0.000 0.225 132 S C 2.152 176.473 174.600 -0.465 0.000 1.039 132 S CA 1.266 58.484 58.200 -1.637 0.000 1.033 132 S CB -1.046 61.275 63.200 -1.464 0.000 0.887 132 S HN 0.349 nan 8.310 nan 0.000 0.447 133 Y N 0.686 121.020 120.300 0.057 0.000 2.200 133 Y HA 0.104 4.653 4.550 -0.001 0.000 0.290 133 Y C 2.223 178.189 175.900 0.111 0.000 1.137 133 Y CA 0.457 58.679 58.100 0.203 0.000 1.163 133 Y CB -0.916 37.762 38.460 0.363 0.000 0.988 133 Y HN 0.338 nan 8.280 nan 0.000 0.518 134 F N -0.099 119.928 119.950 0.128 0.000 2.146 134 F HA -0.148 4.378 4.527 -0.001 0.000 0.298 134 F C 2.328 177.962 175.800 -0.276 0.000 1.096 134 F CA 1.242 59.193 58.000 -0.081 0.000 1.275 134 F CB -0.431 38.510 39.000 -0.099 0.000 1.008 134 F HN -0.022 nan 8.300 nan 0.000 0.480 135 A N 0.138 122.618 122.820 -0.568 0.000 1.898 135 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 135 A C 2.135 179.621 177.584 -0.163 0.000 1.181 135 A CA 1.642 53.179 52.037 -0.834 0.000 0.620 135 A CB -0.717 17.643 19.000 -1.067 0.000 0.819 135 A HN 0.374 nan 8.150 nan 0.000 0.442 136 R N -0.999 119.433 120.500 -0.113 0.000 2.105 136 R HA -0.137 4.202 4.340 -0.001 0.000 0.239 136 R C 1.694 177.932 176.300 -0.104 0.000 1.135 136 R CA 2.018 58.053 56.100 -0.108 0.000 0.967 136 R CB -0.829 29.343 30.300 -0.213 0.000 0.861 136 R HN 0.493 nan 8.270 nan 0.000 0.442 137 F N -0.385 119.476 119.950 -0.147 0.000 2.118 137 F HA -0.072 4.455 4.527 -0.001 0.000 0.293 137 F C 1.953 177.676 175.800 -0.128 0.000 1.102 137 F CA 1.469 59.448 58.000 -0.035 0.000 1.247 137 F CB -0.853 38.059 39.000 -0.146 0.000 1.017 137 F HN 0.113 nan 8.300 nan 0.000 0.475 138 Y N 0.443 120.525 120.300 -0.365 0.000 2.165 138 Y HA -0.299 4.250 4.550 -0.001 0.000 0.286 138 Y C 2.654 178.358 175.900 -0.327 0.000 1.155 138 Y CA 2.374 60.248 58.100 -0.377 0.000 1.164 138 Y CB -0.819 37.544 38.460 -0.160 0.000 0.978 138 Y HN 0.155 nan 8.280 nan 0.000 0.513 139 H N -0.732 118.329 119.070 -0.015 0.000 2.521 139 H HA -0.072 4.483 4.556 -0.001 0.000 0.286 139 H C 0.915 176.125 175.328 -0.197 0.000 1.034 139 H CA 1.396 57.389 56.048 -0.093 0.000 1.278 139 H CB -0.034 29.747 29.762 0.032 0.000 1.386 139 H HN 0.474 nan 8.280 nan 0.000 0.567 140 D N 0.039 120.341 120.400 -0.163 0.000 2.339 140 D HA 0.090 4.729 4.640 -0.001 0.000 0.217 140 D C 0.629 176.743 176.300 -0.309 0.000 1.050 140 D CA 0.060 53.946 54.000 -0.189 0.000 0.856 140 D CB 0.446 41.168 40.800 -0.130 0.000 0.922 140 D HN 0.195 nan 8.370 nan 0.000 0.518 141 L N 0.487 121.432 121.223 -0.463 0.000 2.395 141 L HA 0.373 4.713 4.340 -0.001 0.000 0.269 141 L C 1.346 178.028 176.870 -0.313 0.000 1.133 141 L CA -0.671 53.899 54.840 -0.450 0.000 0.812 141 L CB 1.071 42.797 42.059 -0.554 0.000 1.125 141 L HN -0.042 nan 8.230 nan 0.000 0.452 142 G N 0.534 109.200 108.800 -0.223 0.000 2.606 142 G HA2 0.059 4.018 3.960 -0.001 0.000 0.252 142 G HA3 0.059 4.018 3.960 -0.001 0.000 0.252 142 G C 0.608 175.418 174.900 -0.151 0.000 1.206 142 G CA -0.276 44.732 45.100 -0.154 0.000 0.861 142 G HN 0.778 nan 8.290 nan 0.000 0.561 143 E N 0.121 120.259 120.200 -0.103 0.000 2.118 143 E HA -0.205 4.145 4.350 -0.001 0.000 0.195 143 E C 2.199 178.767 176.600 -0.052 0.000 0.992 143 E CA 1.572 57.928 56.400 -0.073 0.000 0.804 143 E CB -0.112 29.567 29.700 -0.035 0.000 0.741 143 E HN 0.590 nan 8.360 nan 0.000 0.458 144 N N 0.031 118.700 118.700 -0.051 0.000 2.120 144 N HA -0.184 4.555 4.740 -0.001 0.000 0.188 144 N C 1.380 176.863 175.510 -0.046 0.000 1.024 144 N CA 1.265 54.291 53.050 -0.039 0.000 0.852 144 N CB 0.033 38.494 38.487 -0.044 0.000 1.003 144 N HN 0.010 nan 8.380 nan 0.000 0.424 145 K N 1.292 121.648 120.400 -0.072 0.000 2.155 145 K HA 0.001 4.320 4.320 -0.001 0.000 0.203 145 K C 2.017 178.600 176.600 -0.027 0.000 1.052 145 K CA 0.612 56.860 56.287 -0.066 0.000 0.948 145 K CB -0.189 32.252 32.500 -0.097 0.000 0.728 145 K HN 0.318 nan 8.250 nan 0.000 0.448 146 K N 0.745 121.102 120.400 -0.073 0.000 2.063 146 K HA -0.060 4.259 4.320 -0.001 0.000 0.208 146 K C 2.246 178.928 176.600 0.135 0.000 1.048 146 K CA 1.041 57.323 56.287 -0.008 0.000 0.928 146 K CB -0.193 32.223 32.500 -0.141 0.000 0.713 146 K HN 0.033 nan 8.250 nan 0.000 0.442 147 L N 1.058 122.328 121.223 0.077 0.000 2.046 147 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 147 L C 2.584 179.514 176.870 0.100 0.000 1.077 147 L CA 1.311 56.207 54.840 0.092 0.000 0.747 147 L CB -0.379 41.713 42.059 0.055 0.000 0.896 147 L HN 0.263 nan 8.230 nan 0.000 0.432 148 Q N -0.905 118.936 119.800 0.069 0.000 2.084 148 Q HA -0.270 4.069 4.340 -0.001 0.000 0.202 148 Q C 2.209 178.287 176.000 0.130 0.000 0.978 148 Q CA 1.745 57.592 55.803 0.074 0.000 0.844 148 Q CB -0.189 28.533 28.738 -0.026 0.000 0.898 148 Q HN 0.371 nan 8.270 nan 0.000 0.426 149 M N 1.118 120.822 119.600 0.173 0.000 2.099 149 M HA -0.146 4.333 4.480 -0.001 0.000 0.262 149 M C 1.618 178.086 176.300 0.278 0.000 1.067 149 M CA 1.745 57.206 55.300 0.269 0.000 1.124 149 M CB 0.039 32.879 32.600 0.400 0.000 1.353 149 M HN -0.100 nan 8.290 nan 0.000 0.410 150 K N -1.007 119.552 120.400 0.266 0.000 2.147 150 K HA -0.135 4.185 4.320 -0.001 0.000 0.205 150 K C 2.266 178.958 176.600 0.154 0.000 1.049 150 K CA 1.550 57.969 56.287 0.221 0.000 0.936 150 K CB -0.415 32.200 32.500 0.193 0.000 0.722 150 K HN 0.433 nan 8.250 nan 0.000 0.446 151 S N 1.596 117.377 115.700 0.135 0.000 2.368 151 S HA -0.088 4.382 4.470 -0.001 0.000 0.224 151 S C 1.936 176.591 174.600 0.092 0.000 1.029 151 S CA 0.985 59.246 58.200 0.103 0.000 0.988 151 S CB -0.238 63.023 63.200 0.102 0.000 0.838 151 S HN 0.389 nan 8.310 nan 0.000 0.462 152 I N -0.859 119.775 120.570 0.106 0.000 3.111 152 I HA 0.091 4.260 4.170 -0.001 0.000 0.272 152 I C 1.775 177.925 176.117 0.054 0.000 1.268 152 I CA 0.521 61.866 61.300 0.075 0.000 1.467 152 I CB -0.268 37.777 38.000 0.074 0.000 1.087 152 I HN 0.099 nan 8.210 nan 0.000 0.467 153 V N 1.498 121.462 119.914 0.084 0.000 2.379 153 V HA -0.153 3.966 4.120 -0.001 0.000 0.243 153 V C 2.668 178.796 176.094 0.057 0.000 1.035 153 V CA 1.840 64.178 62.300 0.065 0.000 1.035 153 V CB -0.585 31.338 31.823 0.166 0.000 0.673 153 V HN 0.419 nan 8.190 nan 0.000 0.457 154 K N 1.612 122.054 120.400 0.069 0.000 2.097 154 K HA -0.221 4.099 4.320 -0.001 0.000 0.206 154 K C 1.758 178.375 176.600 0.028 0.000 1.049 154 K CA 1.854 58.169 56.287 0.047 0.000 0.933 154 K CB -0.213 32.317 32.500 0.050 0.000 0.717 154 K HN 0.650 nan 8.250 nan 0.000 0.442 155 N N -0.449 118.267 118.700 0.028 0.000 2.461 155 N HA -0.005 4.734 4.740 -0.001 0.000 0.188 155 N C 0.853 176.367 175.510 0.006 0.000 1.134 155 N CA 1.098 54.157 53.050 0.016 0.000 0.878 155 N CB 0.365 38.862 38.487 0.017 0.000 0.972 155 N HN 0.353 nan 8.380 nan 0.000 0.456 156 G N -0.230 108.569 108.800 -0.000 0.000 2.179 156 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.260 156 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.260 156 G C 0.814 175.701 174.900 -0.022 0.000 0.977 156 G CA 0.509 45.598 45.100 -0.018 0.000 0.641 156 G HN 0.469 nan 8.290 nan 0.000 0.533 157 Q N -1.310 118.485 119.800 -0.009 0.000 2.096 157 Q HA 0.229 4.569 4.340 -0.001 0.000 0.197 157 Q C 1.101 177.095 176.000 -0.010 0.000 0.964 157 Q CA 0.995 56.799 55.803 0.001 0.000 0.838 157 Q CB 0.206 28.951 28.738 0.012 0.000 0.906 157 Q HN 0.553 nan 8.270 nan 0.000 0.444 158 L N 1.220 122.417 121.223 -0.044 0.000 2.287 158 L HA 0.297 4.636 4.340 -0.001 0.000 0.287 158 L C -0.970 175.727 176.870 -0.288 0.000 1.022 158 L CA -0.083 54.686 54.840 -0.119 0.000 0.814 158 L CB 1.510 43.510 42.059 -0.099 0.000 1.217 158 L HN -0.075 nan 8.230 nan 0.000 0.420 159 E N 4.201 124.193 120.200 -0.348 0.000 2.210 159 E HA 0.362 4.712 4.350 -0.001 0.000 0.266 159 E C -1.507 174.826 176.600 -0.444 0.000 0.883 159 E CA -0.738 55.457 56.400 -0.341 0.000 0.761 159 E CB 1.043 30.625 29.700 -0.197 0.000 1.156 159 E HN 0.478 nan 8.360 nan 0.000 0.412 160 F N 3.158 123.058 119.950 -0.084 0.000 2.427 160 F HA 0.225 4.751 4.527 -0.001 0.000 0.352 160 F C 0.291 176.054 175.800 -0.061 0.000 1.100 160 F CA -0.539 57.423 58.000 -0.064 0.000 1.191 160 F CB 1.273 40.246 39.000 -0.044 0.000 1.128 160 F HN 0.182 nan 8.300 nan 0.000 0.533 161 V N 0.125 120.093 119.914 0.090 0.000 2.459 161 V HA 0.640 4.760 4.120 -0.001 0.000 0.295 161 V C 0.294 176.507 176.094 0.197 0.000 1.029 161 V CA -0.517 61.829 62.300 0.076 0.000 0.874 161 V CB 0.901 32.650 31.823 -0.124 0.000 0.985 161 V HN 0.978 nan 8.190 nan 0.000 0.438 162 T N 3.329 118.074 114.554 0.319 0.000 12.940 162 T HA -0.310 4.040 4.350 -0.001 0.000 0.419 162 T C 1.711 176.636 174.700 0.375 0.000 1.444 162 T CA 3.009 65.350 62.100 0.401 0.000 2.373 162 T CB -1.664 67.342 68.868 0.231 0.000 2.821 162 T HN 2.789 nan 8.240 nan 0.000 0.696 163 G N 1.729 110.687 108.800 0.263 0.000 2.136 163 G HA2 0.108 4.067 3.960 -0.001 0.000 0.242 163 G HA3 0.108 4.067 3.960 -0.001 0.000 0.242 163 G C 0.270 175.308 174.900 0.230 0.000 0.989 163 G CA 0.559 45.792 45.100 0.222 0.000 0.682 163 G HN 1.536 nan 8.290 nan 0.000 0.522 164 G N -1.641 107.294 108.800 0.223 0.000 2.537 164 G HA2 0.385 4.344 3.960 -0.001 0.000 0.273 164 G HA3 0.385 4.344 3.960 -0.001 0.000 0.273 164 G C 0.970 176.042 174.900 0.287 0.000 1.189 164 G CA 0.149 45.393 45.100 0.240 0.000 0.881 164 G HN 0.329 nan 8.290 nan 0.000 0.535 165 W N 0.569 121.914 121.300 0.075 0.000 2.325 165 W HA -0.079 4.580 4.660 -0.001 0.000 0.299 165 W C 0.712 177.263 176.519 0.053 0.000 1.215 165 W CA 2.021 59.397 57.345 0.051 0.000 1.244 165 W CB 0.237 29.709 29.460 0.020 0.000 1.140 165 W HN 0.413 nan 8.180 nan 0.000 0.523 166 V N -2.824 117.210 119.914 0.200 0.000 3.105 166 V HA 0.510 4.629 4.120 -0.001 0.000 0.311 166 V C -0.473 175.707 176.094 0.142 0.000 1.287 166 V CA -1.264 61.103 62.300 0.111 0.000 1.066 166 V CB 1.738 33.644 31.823 0.138 0.000 1.105 166 V HN -0.061 nan 8.190 nan 0.000 0.462 167 M N 3.955 123.665 119.600 0.183 0.000 2.131 167 M HA 0.518 4.998 4.480 -0.001 0.000 0.345 167 M C -2.730 173.720 176.300 0.251 0.000 1.060 167 M CA -1.911 53.508 55.300 0.199 0.000 1.011 167 M CB 1.479 34.217 32.600 0.230 0.000 1.328 167 M HN 0.673 nan 8.290 nan 0.000 0.396 168 P HA 0.087 nan 4.420 nan 0.000 0.272 168 P C -0.884 176.425 177.300 0.015 0.000 1.223 168 P CA -0.070 63.080 63.100 0.082 0.000 0.784 168 P CB 0.575 32.311 31.700 0.061 0.000 0.923 169 D N 0.894 121.267 120.400 -0.045 0.000 2.449 169 D HA -0.068 4.572 4.640 -0.001 0.000 0.236 169 D C 0.666 176.975 176.300 0.014 0.000 1.149 169 D CA 0.598 54.549 54.000 -0.082 0.000 0.878 169 D CB 0.421 41.183 40.800 -0.063 0.000 1.198 169 D HN 0.319 nan 8.370 nan 0.000 0.446 170 E N 1.449 121.701 120.200 0.085 0.000 2.526 170 E HA 0.202 4.551 4.350 -0.001 0.000 0.208 170 E C 0.826 177.595 176.600 0.283 0.000 0.997 170 E CA -0.004 56.510 56.400 0.191 0.000 0.961 170 E CB 0.726 30.556 29.700 0.217 0.000 1.030 170 E HN 0.472 nan 8.360 nan 0.000 0.483 171 A N 1.513 124.446 122.820 0.189 0.000 1.887 171 A HA 0.018 4.338 4.320 -0.001 0.000 0.210 171 A C 1.820 179.287 177.584 -0.195 0.000 1.221 171 A CA 0.559 52.477 52.037 -0.199 0.000 0.635 171 A CB 0.017 18.851 19.000 -0.277 0.000 0.881 171 A HN 0.033 nan 8.150 nan 0.000 0.456 172 N N 0.159 118.828 118.700 -0.050 0.000 2.392 172 N HA 0.019 4.758 4.740 -0.001 0.000 0.177 172 N C 0.651 176.148 175.510 -0.022 0.000 1.066 172 N CA 0.521 53.541 53.050 -0.050 0.000 0.895 172 N CB 0.120 38.619 38.487 0.021 0.000 0.988 172 N HN 0.356 nan 8.380 nan 0.000 0.457 173 S N 0.853 116.550 115.700 -0.004 0.000 2.564 173 S HA -0.038 4.432 4.470 -0.001 0.000 0.278 173 S C -0.111 174.500 174.600 0.019 0.000 1.333 173 S CA -0.453 57.757 58.200 0.016 0.000 1.048 173 S CB 0.428 63.641 63.200 0.021 0.000 0.900 173 S HN 0.227 nan 8.310 nan 0.000 0.505 174 H N 5.472 124.522 119.070 -0.034 0.000 2.582 174 H HA 0.079 4.635 4.556 -0.001 0.000 0.345 174 H C 1.346 176.647 175.328 -0.046 0.000 1.104 174 H CA -0.067 55.948 56.048 -0.056 0.000 1.390 174 H CB 0.503 30.183 29.762 -0.135 0.000 1.461 174 H HN 0.987 nan 8.280 nan 0.000 0.551 175 W N 5.800 127.013 121.300 -0.146 0.000 2.350 175 W HA -0.175 4.485 4.660 -0.001 0.000 0.289 175 W C 1.073 177.661 176.519 0.114 0.000 1.215 175 W CA 0.419 57.752 57.345 -0.020 0.000 1.236 175 W CB -0.475 28.917 29.460 -0.114 0.000 1.130 175 W HN 0.534 nan 8.180 nan 0.000 0.541 176 R N 0.786 120.910 120.500 -0.626 0.000 2.096 176 R HA -0.135 4.204 4.340 -0.001 0.000 0.235 176 R C 2.014 178.146 176.300 -0.280 0.000 1.127 176 R CA 1.904 57.539 56.100 -0.775 0.000 0.968 176 R CB -0.438 29.353 30.300 -0.848 0.000 0.861 176 R HN 0.135 nan 8.270 nan 0.000 0.440 177 N N -0.166 118.455 118.700 -0.131 0.000 2.354 177 N HA -0.060 4.680 4.740 -0.001 0.000 0.179 177 N C 1.704 177.214 175.510 0.000 0.000 1.021 177 N CA 0.698 53.714 53.050 -0.057 0.000 0.887 177 N CB -0.007 38.467 38.487 -0.022 0.000 0.974 177 N HN -0.000 nan 8.380 nan 0.000 0.437 178 V N 1.289 121.226 119.914 0.039 0.000 2.358 178 V HA -0.154 3.965 4.120 -0.001 0.000 0.246 178 V C 2.285 178.419 176.094 0.067 0.000 1.047 178 V CA 1.003 63.344 62.300 0.068 0.000 1.035 178 V CB -0.441 31.442 31.823 0.101 0.000 0.658 178 V HN 0.194 nan 8.190 nan 0.000 0.452 179 L N -0.332 120.938 121.223 0.078 0.000 2.093 179 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 179 L C 2.138 179.014 176.870 0.009 0.000 1.085 179 L CA 1.750 56.629 54.840 0.065 0.000 0.755 179 L CB -0.640 41.486 42.059 0.112 0.000 0.904 179 L HN 0.277 nan 8.230 nan 0.000 0.435 180 L N -0.072 121.136 121.223 -0.026 0.000 2.017 180 L HA -0.234 4.105 4.340 -0.001 0.000 0.208 180 L C 2.573 179.428 176.870 -0.026 0.000 1.073 180 L CA 2.299 57.112 54.840 -0.046 0.000 0.745 180 L CB -0.774 41.240 42.059 -0.075 0.000 0.894 180 L HN 0.666 nan 8.230 nan 0.000 0.432 181 Q N -0.997 118.810 119.800 0.012 0.000 2.172 181 Q HA -0.188 4.152 4.340 -0.001 0.000 0.200 181 Q C 2.018 178.095 176.000 0.129 0.000 0.964 181 Q CA 2.006 57.850 55.803 0.069 0.000 0.855 181 Q CB -1.136 27.681 28.738 0.131 0.000 0.918 181 Q HN 0.468 nan 8.270 nan 0.000 0.444 182 L N 0.746 122.031 121.223 0.104 0.000 2.046 182 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 182 L C 1.898 178.845 176.870 0.127 0.000 1.077 182 L CA 2.360 57.276 54.840 0.126 0.000 0.747 182 L CB -0.934 41.176 42.059 0.086 0.000 0.896 182 L HN 0.317 nan 8.230 nan 0.000 0.432 183 T N -1.037 113.559 114.554 0.071 0.000 2.821 183 T HA -0.158 4.192 4.350 -0.001 0.000 0.267 183 T C 1.713 176.459 174.700 0.077 0.000 1.046 183 T CA 1.359 63.492 62.100 0.056 0.000 1.139 183 T CB -0.110 68.760 68.868 0.002 0.000 0.871 183 T HN 0.324 nan 8.240 nan 0.000 0.454 184 E N 1.014 121.235 120.200 0.035 0.000 2.047 184 E HA -0.024 4.325 4.350 -0.001 0.000 0.191 184 E C 2.333 179.054 176.600 0.201 0.000 0.987 184 E CA 1.469 57.846 56.400 -0.039 0.000 0.799 184 E CB -0.806 28.674 29.700 -0.367 0.000 0.752 184 E HN 0.439 nan 8.360 nan 0.000 0.449 185 G N -0.136 108.885 108.800 0.368 0.000 2.394 185 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.215 185 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.215 185 G C 1.465 176.583 174.900 0.362 0.000 1.165 185 G CA 0.581 45.990 45.100 0.515 0.000 0.784 185 G HN 0.250 nan 8.290 nan 0.000 0.535 186 Q N -0.074 119.874 119.800 0.246 0.000 2.172 186 Q HA -0.059 4.281 4.340 -0.001 0.000 0.200 186 Q C 2.774 178.863 176.000 0.149 0.000 0.964 186 Q CA 1.437 57.343 55.803 0.170 0.000 0.855 186 Q CB -0.229 28.592 28.738 0.139 0.000 0.918 186 Q HN 0.405 nan 8.270 nan 0.000 0.444 187 T N 0.238 114.891 114.554 0.166 0.000 2.746 187 T HA -0.185 4.164 4.350 -0.001 0.000 0.267 187 T C 1.104 175.891 174.700 0.145 0.000 1.039 187 T CA 1.101 63.274 62.100 0.122 0.000 1.142 187 T CB -0.374 68.562 68.868 0.113 0.000 0.866 187 T HN 0.473 nan 8.240 nan 0.000 0.444 188 W N 1.634 123.026 121.300 0.153 0.000 2.355 188 W HA -0.039 4.620 4.660 -0.001 0.000 0.309 188 W C 1.792 178.410 176.519 0.165 0.000 1.206 188 W CA 0.911 58.424 57.345 0.279 0.000 1.284 188 W CB -0.457 29.243 29.460 0.400 0.000 1.145 188 W HN 0.139 nan 8.180 nan 0.000 0.502 189 L N 0.637 122.043 121.223 0.305 0.000 2.046 189 L HA -0.249 4.090 4.340 -0.001 0.000 0.208 189 L C 2.607 179.389 176.870 -0.146 0.000 1.077 189 L CA 1.906 56.751 54.840 0.009 0.000 0.747 189 L CB -0.961 41.054 42.059 -0.072 0.000 0.896 189 L HN -0.006 nan 8.230 nan 0.000 0.432 190 K N 0.019 120.356 120.400 -0.104 0.000 2.057 190 K HA -0.258 4.062 4.320 -0.001 0.000 0.207 190 K C 2.195 178.643 176.600 -0.253 0.000 1.049 190 K CA 1.567 57.772 56.287 -0.136 0.000 0.931 190 K CB -0.015 32.434 32.500 -0.085 0.000 0.714 190 K HN 0.252 nan 8.250 nan 0.000 0.440 191 Q N -0.759 118.812 119.800 -0.380 0.000 2.046 191 Q HA -0.142 4.197 4.340 -0.001 0.000 0.200 191 Q C 1.501 176.970 176.000 -0.885 0.000 0.975 191 Q CA 1.784 57.191 55.803 -0.660 0.000 0.836 191 Q CB 0.023 28.227 28.738 -0.890 0.000 0.896 191 Q HN 0.312 nan 8.270 nan 0.000 0.428 192 F N -1.333 118.230 119.950 -0.644 0.000 2.582 192 F HA 0.107 4.634 4.527 -0.001 0.000 0.290 192 F C 1.582 177.090 175.800 -0.487 0.000 1.115 192 F CA 0.282 57.847 58.000 -0.724 0.000 1.445 192 F CB 0.406 38.502 39.000 -1.506 0.000 1.126 192 F HN 0.124 nan 8.300 nan 0.000 0.574 193 M N -1.077 118.368 119.600 -0.258 0.000 2.308 193 M HA 0.230 4.710 4.480 -0.001 0.000 0.269 193 M C 0.316 176.593 176.300 -0.039 0.000 1.040 193 M CA 0.112 55.372 55.300 -0.066 0.000 1.024 193 M CB -1.144 31.449 32.600 -0.011 0.000 1.465 193 M HN 0.084 nan 8.290 nan 0.000 0.517 194 N N 2.023 120.662 118.700 -0.103 0.000 2.727 194 N HA -0.132 4.607 4.740 -0.001 0.000 0.249 194 N C -1.006 174.482 175.510 -0.037 0.000 1.048 194 N CA 0.742 53.748 53.050 -0.074 0.000 0.714 194 N CB -0.927 37.531 38.487 -0.049 0.000 0.959 194 N HN 0.378 nan 8.380 nan 0.000 0.544 195 V N -3.778 116.115 119.914 -0.035 0.000 3.049 195 V HA 0.855 4.975 4.120 -0.001 0.000 0.309 195 V C 0.006 176.082 176.094 -0.030 0.000 1.148 195 V CA -0.517 61.778 62.300 -0.008 0.000 0.990 195 V CB 2.317 34.182 31.823 0.069 0.000 1.039 195 V HN 0.054 nan 8.190 nan 0.000 0.430 196 T N 3.997 118.524 114.554 -0.045 0.000 2.892 196 T HA 0.583 4.932 4.350 -0.001 0.000 0.311 196 T C -2.725 171.890 174.700 -0.142 0.000 1.033 196 T CA -0.790 61.264 62.100 -0.077 0.000 0.991 196 T CB 1.343 70.156 68.868 -0.093 0.000 0.981 196 T HN 0.766 nan 8.240 nan 0.000 0.457 197 P HA 0.170 nan 4.420 nan 0.000 0.266 197 P C 0.845 177.756 177.300 -0.648 0.000 1.195 197 P CA -0.166 62.807 63.100 -0.211 0.000 0.768 197 P CB 0.533 32.227 31.700 -0.010 0.000 0.838 198 T N -1.617 112.612 114.554 -0.541 0.000 3.040 198 T HA 0.538 4.888 4.350 -0.001 0.000 0.266 198 T C 0.361 174.874 174.700 -0.312 0.000 1.005 198 T CA -0.285 61.377 62.100 -0.730 0.000 0.906 198 T CB 0.152 68.801 68.868 -0.365 0.000 1.082 198 T HN 0.412 nan 8.240 nan 0.000 0.531 199 A N 0.823 123.616 122.820 -0.044 0.000 2.355 199 A HA 0.797 5.116 4.320 -0.001 0.000 0.317 199 A C -0.193 177.651 177.584 0.433 0.000 1.094 199 A CA -0.703 51.457 52.037 0.205 0.000 0.764 199 A CB 1.830 20.961 19.000 0.219 0.000 1.230 199 A HN 0.247 nan 8.150 nan 0.000 0.448 200 S N 2.102 118.048 115.700 0.410 0.000 2.509 200 S HA 0.657 5.127 4.470 -0.001 0.000 0.297 200 S C -1.118 173.671 174.600 0.314 0.000 1.118 200 S CA -0.423 57.959 58.200 0.303 0.000 1.074 200 S CB 0.700 63.909 63.200 0.015 0.000 1.038 200 S HN 0.785 nan 8.310 nan 0.000 0.498 201 W N 4.818 126.135 121.300 0.028 0.000 2.499 201 W HA 0.635 5.294 4.660 -0.001 0.000 0.320 201 W C -1.426 175.042 176.519 -0.084 0.000 1.010 201 W CA -0.853 56.461 57.345 -0.052 0.000 1.267 201 W CB 1.105 30.507 29.460 -0.096 0.000 1.316 201 W HN 0.774 nan 8.180 nan 0.000 0.431 202 A N 7.951 130.636 122.820 -0.224 0.000 2.893 202 A HA 0.276 4.595 4.320 -0.001 0.000 0.333 202 A C 0.338 177.679 177.584 -0.405 0.000 1.152 202 A CA -0.481 51.420 52.037 -0.226 0.000 0.782 202 A CB -0.365 18.623 19.000 -0.020 0.000 1.108 202 A HN 0.701 nan 8.150 nan 0.000 0.469 203 I N -2.678 117.461 120.570 -0.718 0.000 3.419 203 I HA 0.241 4.411 4.170 -0.001 0.000 0.286 203 I C 0.809 176.581 176.117 -0.576 0.000 1.268 203 I CA 0.937 61.774 61.300 -0.773 0.000 1.414 203 I CB 0.342 37.624 38.000 -1.198 0.000 1.074 203 I HN 0.334 nan 8.210 nan 0.000 0.457 204 D N 0.361 120.390 120.400 -0.620 0.000 2.489 204 D HA 0.241 4.881 4.640 -0.001 0.000 0.231 204 D C -2.182 173.706 176.300 -0.686 0.000 1.114 204 D CA -0.720 52.915 54.000 -0.609 0.000 0.842 204 D CB 0.092 40.426 40.800 -0.777 0.000 1.133 204 D HN 0.192 nan 8.370 nan 0.000 0.506 205 P HA 0.042 nan 4.420 nan 0.000 0.268 205 P C -0.546 176.309 177.300 -0.741 0.000 1.208 205 P CA 0.016 62.610 63.100 -0.843 0.000 0.777 205 P CB 0.183 31.545 31.700 -0.564 0.000 0.875 206 F N 1.792 121.497 119.950 -0.409 0.000 2.541 206 F HA 0.557 5.084 4.527 -0.001 0.000 0.351 206 F C 1.418 177.158 175.800 -0.101 0.000 1.209 206 F CA -0.714 56.994 58.000 -0.487 0.000 1.277 206 F CB -1.088 37.749 39.000 -0.271 0.000 1.632 206 F HN 0.539 nan 8.300 nan 0.000 0.619 207 G N 1.385 109.946 108.800 -0.399 0.000 2.662 207 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.686 207 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.686 207 G C -1.488 173.062 174.900 -0.582 0.000 1.271 207 G CA -1.160 43.815 45.100 -0.208 0.000 0.816 207 G HN 0.643 nan 8.290 nan 0.000 0.608 208 H N -0.593 118.178 119.070 -0.499 0.000 2.768 208 H HA 0.761 5.317 4.556 -0.001 0.000 0.371 208 H C -0.403 174.797 175.328 -0.214 0.000 1.151 208 H CA 0.017 55.952 56.048 -0.188 0.000 1.165 208 H CB 2.088 31.907 29.762 0.095 0.000 1.722 208 H HN 0.671 nan 8.280 nan 0.000 0.543 209 S N 2.096 117.923 115.700 0.213 0.000 2.503 209 S HA 0.260 4.730 4.470 -0.001 0.000 0.301 209 S C -1.801 172.799 174.600 0.000 0.000 1.087 209 S CA -1.794 56.530 58.200 0.207 0.000 1.042 209 S CB 1.341 64.708 63.200 0.279 0.000 1.043 209 S HN 0.453 nan 8.310 nan 0.000 0.489 210 P HA 0.010 nan 4.420 nan 0.000 0.234 210 P C 1.093 178.125 177.300 -0.446 0.000 1.167 210 P CA 0.741 63.417 63.100 -0.707 0.000 0.763 210 P CB -0.242 31.200 31.700 -0.430 0.000 0.835 211 T N -0.406 114.027 114.554 -0.202 0.000 2.849 211 T HA -0.141 4.208 4.350 -0.001 0.000 0.270 211 T C 1.753 176.406 174.700 -0.080 0.000 1.066 211 T CA 1.299 63.329 62.100 -0.117 0.000 1.130 211 T CB -0.473 68.367 68.868 -0.048 0.000 0.864 211 T HN 0.005 nan 8.240 nan 0.000 0.481 212 M N 1.496 121.005 119.600 -0.151 0.000 2.059 212 M HA 0.006 4.486 4.480 -0.001 0.000 0.259 212 M C -0.990 175.171 176.300 -0.231 0.000 1.072 212 M CA 1.313 56.521 55.300 -0.153 0.000 1.117 212 M CB -1.054 31.477 32.600 -0.116 0.000 1.320 212 M HN 0.055 nan 8.290 nan 0.000 0.408 213 P HA -0.195 nan 4.420 nan 0.000 0.218 213 P C 1.423 178.599 177.300 -0.206 0.000 1.149 213 P CA 1.393 64.306 63.100 -0.312 0.000 0.817 213 P CB -0.473 30.956 31.700 -0.450 0.000 0.785 214 Y N 1.175 121.293 120.300 -0.304 0.000 2.097 214 Y HA -0.214 4.336 4.550 -0.001 0.000 0.282 214 Y C 2.410 178.228 175.900 -0.137 0.000 1.152 214 Y CA 1.730 59.713 58.100 -0.196 0.000 1.136 214 Y CB -1.007 37.351 38.460 -0.170 0.000 0.975 214 Y HN -0.238 nan 8.280 nan 0.000 0.498 215 I N -0.421 120.153 120.570 0.007 0.000 2.252 215 I HA -0.309 3.860 4.170 -0.001 0.000 0.245 215 I C 2.283 178.322 176.117 -0.131 0.000 1.102 215 I CA 1.190 62.463 61.300 -0.045 0.000 1.385 215 I CB -0.420 37.619 38.000 0.064 0.000 1.064 215 I HN 0.266 nan 8.210 nan 0.000 0.414 216 L N 0.080 121.178 121.223 -0.209 0.000 2.046 216 L HA -0.227 4.113 4.340 -0.001 0.000 0.208 216 L C 2.687 179.537 176.870 -0.034 0.000 1.077 216 L CA 1.216 55.867 54.840 -0.315 0.000 0.747 216 L CB -0.732 40.946 42.059 -0.635 0.000 0.896 216 L HN 0.344 nan 8.230 nan 0.000 0.432 217 Q N 1.107 120.855 119.800 -0.087 0.000 2.224 217 Q HA -0.189 4.150 4.340 -0.001 0.000 0.203 217 Q C 1.682 177.641 176.000 -0.068 0.000 0.970 217 Q CA 1.475 57.248 55.803 -0.049 0.000 0.865 217 Q CB 0.125 28.805 28.738 -0.096 0.000 0.922 217 Q HN 0.460 nan 8.270 nan 0.000 0.445 218 K N -0.454 119.864 120.400 -0.137 0.000 2.444 218 K HA 0.113 4.432 4.320 -0.001 0.000 0.193 218 K C 0.592 177.155 176.600 -0.062 0.000 1.024 218 K CA 0.108 56.310 56.287 -0.143 0.000 1.077 218 K CB 0.521 32.860 32.500 -0.269 0.000 0.833 218 K HN -0.071 nan 8.250 nan 0.000 0.517 219 S N -0.297 115.421 115.700 0.030 0.000 2.741 219 S HA 0.201 4.670 4.470 -0.001 0.000 0.247 219 S C 0.735 175.436 174.600 0.168 0.000 1.050 219 S CA 0.095 58.360 58.200 0.109 0.000 1.025 219 S CB 1.328 64.634 63.200 0.178 0.000 0.897 219 S HN 0.515 nan 8.310 nan 0.000 0.508 220 G N 1.216 110.067 108.800 0.085 0.000 2.176 220 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.253 220 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.253 220 G C -0.018 174.860 174.900 -0.037 0.000 0.979 220 G CA -0.347 44.748 45.100 -0.008 0.000 0.641 220 G HN 0.439 nan 8.290 nan 0.000 0.530 221 F N 0.584 120.493 119.950 -0.069 0.000 2.450 221 F HA 0.544 5.070 4.527 -0.001 0.000 0.339 221 F C 1.726 177.467 175.800 -0.098 0.000 1.146 221 F CA 0.312 58.267 58.000 -0.076 0.000 1.267 221 F CB 0.962 39.921 39.000 -0.069 0.000 1.178 221 F HN -0.053 nan 8.300 nan 0.000 0.585 222 K N 0.483 120.902 120.400 0.033 0.000 2.464 222 K HA 0.236 4.556 4.320 -0.001 0.000 0.206 222 K C -0.543 175.998 176.600 -0.099 0.000 1.186 222 K CA -0.025 56.223 56.287 -0.064 0.000 0.990 222 K CB 0.484 32.897 32.500 -0.144 0.000 1.003 222 K HN 0.575 nan 8.250 nan 0.000 0.562 223 N N 0.788 119.412 118.700 -0.127 0.000 2.484 223 N HA 0.418 5.157 4.740 -0.001 0.000 0.269 223 N C -1.437 173.922 175.510 -0.251 0.000 1.237 223 N CA -0.754 52.062 53.050 -0.391 0.000 0.838 223 N CB 2.060 39.766 38.487 -1.302 0.000 1.593 223 N HN -0.033 nan 8.380 nan 0.000 0.485 224 M N -0.147 119.317 119.600 -0.226 0.000 2.569 224 M HA 0.622 5.102 4.480 -0.001 0.000 0.279 224 M C -2.084 174.279 176.300 0.105 0.000 1.253 224 M CA -0.939 54.354 55.300 -0.011 0.000 0.867 224 M CB 2.453 35.037 32.600 -0.027 0.000 1.727 224 M HN 0.509 nan 8.290 nan 0.000 0.467 225 L N 3.714 125.019 121.223 0.136 0.000 2.381 225 L HA 0.886 5.226 4.340 -0.001 0.000 0.268 225 L C -1.500 175.257 176.870 -0.189 0.000 0.997 225 L CA -0.774 54.105 54.840 0.065 0.000 0.818 225 L CB 2.069 44.219 42.059 0.153 0.000 1.310 225 L HN 0.951 nan 8.230 nan 0.000 0.416 226 I N 0.902 121.271 120.570 -0.336 0.000 2.934 226 I HA 0.595 4.764 4.170 -0.001 0.000 0.306 226 I C -0.775 175.054 176.117 -0.480 0.000 1.110 226 I CA -0.580 60.343 61.300 -0.629 0.000 1.019 226 I CB 2.271 39.577 38.000 -1.156 0.000 1.227 226 I HN 0.746 nan 8.210 nan 0.000 0.434 227 Q N 2.407 121.993 119.800 -0.358 0.000 2.563 227 Q HA 0.337 4.676 4.340 -0.001 0.000 0.236 227 Q C 0.017 175.912 176.000 -0.175 0.000 0.792 227 Q CA 0.464 56.123 55.803 -0.240 0.000 0.960 227 Q CB 0.613 29.199 28.738 -0.255 0.000 1.304 227 Q HN 0.665 nan 8.270 nan 0.000 0.566 228 R N 2.019 122.420 120.500 -0.165 0.000 2.608 228 R HA 0.339 4.679 4.340 -0.001 0.000 0.277 228 R C -0.683 175.356 176.300 -0.434 0.000 1.341 228 R CA 0.545 56.312 56.100 -0.555 0.000 1.199 228 R CB 0.234 29.818 30.300 -1.195 0.000 1.156 228 R HN 0.380 nan 8.270 nan 0.000 0.558 229 T N -2.401 112.139 114.554 -0.024 0.000 2.916 229 T HA 0.137 4.486 4.350 -0.001 0.000 0.292 229 T C -0.036 174.937 174.700 0.455 0.000 1.055 229 T CA -0.904 61.313 62.100 0.195 0.000 1.009 229 T CB 1.760 70.572 68.868 -0.094 0.000 1.118 229 T HN 0.431 nan 8.240 nan 0.000 0.497 230 H N 1.942 121.234 119.070 0.369 0.000 3.064 230 H HA -0.043 4.513 4.556 -0.001 0.000 0.329 230 H C 1.062 176.446 175.328 0.093 0.000 1.020 230 H CA 0.529 56.680 56.048 0.173 0.000 1.402 230 H CB 0.343 30.227 29.762 0.205 0.000 1.379 230 H HN 0.927 nan 8.280 nan 0.000 0.594 231 Y N 2.309 122.721 120.300 0.187 0.000 2.315 231 Y HA -0.174 4.376 4.550 -0.001 0.000 0.288 231 Y C 2.181 178.251 175.900 0.284 0.000 1.154 231 Y CA 0.961 59.195 58.100 0.224 0.000 1.229 231 Y CB -0.625 37.903 38.460 0.114 0.000 0.980 231 Y HN 0.290 nan 8.280 nan 0.000 0.540 232 S N 0.322 116.063 115.700 0.068 0.000 2.387 232 S HA -0.116 4.354 4.470 -0.001 0.000 0.226 232 S C 2.091 176.614 174.600 -0.127 0.000 1.026 232 S CA 1.160 59.287 58.200 -0.121 0.000 0.972 232 S CB -0.551 62.341 63.200 -0.512 0.000 0.814 232 S HN 0.372 nan 8.310 nan 0.000 0.477 233 V N 1.976 121.872 119.914 -0.029 0.000 2.358 233 V HA -0.171 3.948 4.120 -0.001 0.000 0.246 233 V C 2.219 178.349 176.094 0.061 0.000 1.047 233 V CA 1.604 63.918 62.300 0.023 0.000 1.035 233 V CB -0.510 31.428 31.823 0.191 0.000 0.658 233 V HN 0.409 nan 8.190 nan 0.000 0.452 234 K N 0.102 120.580 120.400 0.129 0.000 2.063 234 K HA -0.244 4.076 4.320 -0.001 0.000 0.208 234 K C 2.260 178.990 176.600 0.217 0.000 1.048 234 K CA 1.754 58.132 56.287 0.153 0.000 0.928 234 K CB -0.225 32.420 32.500 0.243 0.000 0.713 234 K HN 0.357 nan 8.250 nan 0.000 0.442 235 K N 1.151 121.679 120.400 0.214 0.000 2.026 235 K HA -0.226 4.094 4.320 -0.001 0.000 0.208 235 K C 2.123 178.815 176.600 0.152 0.000 1.048 235 K CA 1.687 58.107 56.287 0.221 0.000 0.929 235 K CB 0.059 32.621 32.500 0.103 0.000 0.713 235 K HN -0.029 nan 8.250 nan 0.000 0.439 236 E N 0.850 121.064 120.200 0.022 0.000 2.051 236 E HA -0.140 4.209 4.350 -0.001 0.000 0.192 236 E C 1.923 178.516 176.600 -0.012 0.000 0.991 236 E CA 1.394 57.766 56.400 -0.046 0.000 0.799 236 E CB -0.166 29.461 29.700 -0.123 0.000 0.748 236 E HN 0.337 nan 8.360 nan 0.000 0.449 237 L N -0.227 120.998 121.223 0.003 0.000 2.093 237 L HA -0.052 4.287 4.340 -0.001 0.000 0.208 237 L C 2.489 179.376 176.870 0.028 0.000 1.085 237 L CA 0.903 55.737 54.840 -0.010 0.000 0.755 237 L CB -0.558 41.478 42.059 -0.040 0.000 0.904 237 L HN 0.206 nan 8.230 nan 0.000 0.435 238 A N -0.266 122.622 122.820 0.114 0.000 1.933 238 A HA -0.239 4.081 4.320 -0.001 0.000 0.218 238 A C 2.215 179.976 177.584 0.296 0.000 1.175 238 A CA 1.410 53.567 52.037 0.199 0.000 0.628 238 A CB -0.425 18.841 19.000 0.444 0.000 0.814 238 A HN 0.462 nan 8.150 nan 0.000 0.444 239 Q N -0.866 119.064 119.800 0.216 0.000 2.170 239 Q HA -0.151 4.189 4.340 -0.001 0.000 0.203 239 Q C 1.281 177.276 176.000 -0.009 0.000 0.976 239 Q CA 1.246 57.035 55.803 -0.023 0.000 0.858 239 Q CB -0.048 28.532 28.738 -0.264 0.000 0.907 239 Q HN 0.616 nan 8.270 nan 0.000 0.433 240 Q N -0.122 119.681 119.800 0.004 0.000 2.247 240 Q HA 0.138 4.478 4.340 -0.001 0.000 0.204 240 Q C -0.412 175.604 176.000 0.025 0.000 0.872 240 Q CA -0.037 55.766 55.803 -0.001 0.000 0.951 240 Q CB 0.623 29.350 28.738 -0.019 0.000 1.099 240 Q HN 0.278 nan 8.270 nan 0.000 0.501 241 R N 0.861 121.382 120.500 0.035 0.000 3.333 241 R HA -0.209 4.130 4.340 -0.001 0.000 0.256 241 R C -0.136 176.194 176.300 0.049 0.000 1.010 241 R CA 0.476 56.590 56.100 0.022 0.000 0.680 241 R CB -1.873 28.466 30.300 0.064 0.000 1.102 241 R HN 0.406 nan 8.270 nan 0.000 0.440 242 Q N 0.024 119.839 119.800 0.027 0.000 2.186 242 Q HA 0.190 4.529 4.340 -0.001 0.000 0.241 242 Q C 1.233 177.305 176.000 0.120 0.000 0.849 242 Q CA -0.234 55.617 55.803 0.080 0.000 1.053 242 Q CB 0.539 29.287 28.738 0.017 0.000 1.146 242 Q HN 0.437 nan 8.270 nan 0.000 0.475 243 L N 0.136 121.364 121.223 0.008 0.000 2.395 243 L HA 0.021 4.361 4.340 -0.001 0.000 0.218 243 L C 0.371 177.239 176.870 -0.005 0.000 1.130 243 L CA 0.997 55.815 54.840 -0.037 0.000 0.826 243 L CB 0.270 42.110 42.059 -0.364 0.000 0.941 243 L HN 0.185 nan 8.230 nan 0.000 0.451 244 E N 0.121 120.357 120.200 0.061 0.000 2.158 244 E HA 0.521 4.870 4.350 -0.001 0.000 0.271 244 E C -1.212 175.312 176.600 -0.127 0.000 0.911 244 E CA -0.531 55.705 56.400 -0.274 0.000 0.767 244 E CB 1.518 31.184 29.700 -0.056 0.000 1.120 244 E HN 0.003 nan 8.360 nan 0.000 0.405 245 F N -0.107 119.580 119.950 -0.439 0.000 2.686 245 F HA 0.427 4.953 4.527 -0.001 0.000 0.311 245 F C -1.499 174.176 175.800 -0.208 0.000 1.128 245 F CA -1.461 56.422 58.000 -0.196 0.000 0.946 245 F CB 0.831 39.750 39.000 -0.135 0.000 1.336 245 F HN 0.104 nan 8.300 nan 0.000 0.457 246 L N 2.574 123.944 121.223 0.245 0.000 2.282 246 L HA 0.115 4.454 4.340 -0.001 0.000 0.287 246 L C -1.001 176.089 176.870 0.368 0.000 1.075 246 L CA 0.073 55.055 54.840 0.237 0.000 0.839 246 L CB 0.406 42.609 42.059 0.240 0.000 1.219 246 L HN 0.746 nan 8.230 nan 0.000 0.434 247 W N 6.992 128.394 121.300 0.171 0.000 2.387 247 W HA 0.357 5.016 4.660 -0.001 0.000 0.310 247 W C 0.428 176.973 176.519 0.043 0.000 1.181 247 W CA -1.104 56.359 57.345 0.198 0.000 1.333 247 W CB 0.465 30.081 29.460 0.260 0.000 1.286 247 W HN 0.557 nan 8.180 nan 0.000 0.455 248 R N 3.773 124.454 120.500 0.301 0.000 2.828 248 R HA 0.551 4.890 4.340 -0.001 0.000 0.264 248 R C -0.114 176.101 176.300 -0.141 0.000 1.022 248 R CA -0.943 55.162 56.100 0.008 0.000 1.021 248 R CB 1.103 31.387 30.300 -0.026 0.000 1.163 248 R HN 0.238 nan 8.270 nan 0.000 0.494 249 Q N 1.293 120.857 119.800 -0.394 0.000 2.421 249 Q HA 0.065 4.404 4.340 -0.001 0.000 0.255 249 Q C 1.448 177.051 176.000 -0.660 0.000 1.013 249 Q CA 0.100 55.465 55.803 -0.731 0.000 0.895 249 Q CB 0.801 28.645 28.738 -1.488 0.000 1.271 249 Q HN 0.840 nan 8.270 nan 0.000 0.460 250 I N -2.145 118.126 120.570 -0.498 0.000 2.567 250 I HA -0.146 4.024 4.170 -0.001 0.000 0.257 250 I C 1.290 177.334 176.117 -0.122 0.000 1.184 250 I CA 1.206 62.380 61.300 -0.209 0.000 1.451 250 I CB -0.355 37.623 38.000 -0.037 0.000 1.089 250 I HN 0.666 nan 8.210 nan 0.000 0.441 251 W N 1.128 122.485 121.300 0.096 0.000 3.220 251 W HA 0.368 5.027 4.660 -0.001 0.000 0.328 251 W C 0.244 176.838 176.519 0.124 0.000 1.205 251 W CA -0.710 56.751 57.345 0.193 0.000 1.773 251 W CB -0.708 28.952 29.460 0.334 0.000 1.086 251 W HN -0.082 nan 8.180 nan 0.000 0.622 252 D N 1.980 122.132 120.400 -0.413 0.000 2.402 252 D HA -0.036 4.604 4.640 -0.001 0.000 0.235 252 D C 1.092 177.370 176.300 -0.037 0.000 1.226 252 D CA 0.302 54.196 54.000 -0.177 0.000 0.918 252 D CB 0.037 40.637 40.800 -0.333 0.000 1.043 252 D HN 0.092 nan 8.370 nan 0.000 0.506 253 N N 3.420 122.156 118.700 0.061 0.000 2.270 253 N HA -0.122 4.617 4.740 -0.001 0.000 0.181 253 N C 1.331 176.861 175.510 0.033 0.000 1.016 253 N CA 0.593 53.670 53.050 0.045 0.000 0.870 253 N CB 0.256 38.789 38.487 0.076 0.000 0.979 253 N HN 0.392 nan 8.380 nan 0.000 0.431 254 K N -0.337 120.088 120.400 0.042 0.000 2.186 254 K HA -0.007 4.312 4.320 -0.001 0.000 0.202 254 K C 0.809 177.425 176.600 0.026 0.000 1.052 254 K CA 1.047 57.356 56.287 0.036 0.000 0.965 254 K CB 0.115 32.642 32.500 0.045 0.000 0.746 254 K HN 0.217 nan 8.250 nan 0.000 0.457 255 G N 1.080 109.889 108.800 0.014 0.000 2.159 255 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.227 255 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.227 255 G C 0.146 175.053 174.900 0.012 0.000 0.986 255 G CA 0.388 45.494 45.100 0.011 0.000 0.651 255 G HN 0.382 nan 8.290 nan 0.000 0.523 256 D N 0.574 120.983 120.400 0.014 0.000 2.310 256 D HA -0.016 4.624 4.640 -0.001 0.000 0.212 256 D C 2.560 178.854 176.300 -0.009 0.000 0.965 256 D CA 1.748 55.754 54.000 0.010 0.000 0.879 256 D CB -0.239 40.573 40.800 0.020 0.000 0.921 256 D HN 0.684 nan 8.370 nan 0.000 0.510 257 T N -2.233 112.307 114.554 -0.022 0.000 3.100 257 T HA 0.323 4.672 4.350 -0.001 0.000 0.253 257 T C 1.001 175.670 174.700 -0.052 0.000 1.118 257 T CA -0.062 62.005 62.100 -0.054 0.000 1.058 257 T CB -0.000 68.823 68.868 -0.076 0.000 0.953 257 T HN 0.070 nan 8.240 nan 0.000 0.515 258 A N 1.473 124.286 122.820 -0.011 0.000 2.565 258 A HA 0.516 4.836 4.320 -0.001 0.000 0.237 258 A C -0.248 177.360 177.584 0.040 0.000 1.053 258 A CA -0.224 51.836 52.037 0.038 0.000 0.755 258 A CB -0.197 18.848 19.000 0.075 0.000 0.980 258 A HN 0.544 nan 8.150 nan 0.000 0.506 259 L N 2.845 124.112 121.223 0.074 0.000 2.409 259 L HA 0.553 4.892 4.340 -0.001 0.000 0.272 259 L C -0.638 176.292 176.870 0.100 0.000 0.980 259 L CA -0.562 54.315 54.840 0.063 0.000 0.826 259 L CB 1.456 43.518 42.059 0.005 0.000 1.268 259 L HN 0.663 nan 8.230 nan 0.000 0.407 260 F N 3.811 123.724 119.950 -0.062 0.000 2.578 260 F HA 0.400 4.926 4.527 -0.001 0.000 0.381 260 F C 0.054 175.739 175.800 -0.193 0.000 1.069 260 F CA 0.773 58.703 58.000 -0.116 0.000 1.231 260 F CB 0.470 39.420 39.000 -0.083 0.000 1.086 260 F HN 0.562 nan 8.300 nan 0.000 0.564 261 T N 5.304 119.297 114.554 -0.934 0.000 2.861 261 T HA 0.213 4.563 4.350 -0.001 0.000 0.287 261 T C -1.637 172.442 174.700 -1.035 0.000 1.003 261 T CA -0.485 61.131 62.100 -0.807 0.000 0.977 261 T CB 0.978 69.343 68.868 -0.839 0.000 0.996 261 T HN 0.614 nan 8.240 nan 0.000 0.448 262 H N 2.678 121.450 119.070 -0.496 0.000 2.551 262 H HA 0.625 5.180 4.556 -0.001 0.000 0.321 262 H C -0.473 174.675 175.328 -0.302 0.000 1.028 262 H CA -0.750 55.125 56.048 -0.289 0.000 1.215 262 H CB 0.765 30.574 29.762 0.079 0.000 1.414 262 H HN 0.480 nan 8.280 nan 0.000 0.480 263 M N 6.977 126.248 119.600 -0.549 0.000 2.113 263 M HA 0.302 4.781 4.480 -0.001 0.000 0.352 263 M C -0.886 175.173 176.300 -0.401 0.000 1.170 263 M CA -0.654 54.402 55.300 -0.407 0.000 1.053 263 M CB 0.713 33.131 32.600 -0.302 0.000 1.601 263 M HN 0.660 nan 8.290 nan 0.000 0.459 264 M N 6.753 126.208 119.600 -0.242 0.000 2.248 264 M HA 0.171 4.651 4.480 -0.001 0.000 0.337 264 M C -1.613 174.552 176.300 -0.224 0.000 1.121 264 M CA -1.130 54.075 55.300 -0.158 0.000 1.155 264 M CB 0.218 32.738 32.600 -0.133 0.000 1.514 264 M HN 0.477 nan 8.290 nan 0.000 0.452 265 P HA 0.095 nan 4.420 nan 0.000 0.239 265 P C -0.278 176.808 177.300 -0.356 0.000 1.188 265 P CA 0.939 63.717 63.100 -0.538 0.000 0.794 265 P CB 0.337 31.387 31.700 -1.083 0.000 0.937 266 F N -1.931 118.009 119.950 -0.016 0.000 2.611 266 F HA 0.297 4.824 4.527 -0.001 0.000 0.374 266 F C 2.047 177.919 175.800 0.120 0.000 1.110 266 F CA -1.447 56.579 58.000 0.043 0.000 1.090 266 F CB -0.936 38.027 39.000 -0.063 0.000 1.388 266 F HN -0.313 nan 8.300 nan 0.000 0.501 267 Y N 0.072 120.505 120.300 0.221 0.000 2.293 267 Y HA 0.063 4.613 4.550 -0.001 0.000 0.291 267 Y C 0.985 176.796 175.900 -0.149 0.000 1.137 267 Y CA 1.478 59.568 58.100 -0.017 0.000 1.202 267 Y CB 0.048 38.402 38.460 -0.176 0.000 0.990 267 Y HN 0.362 nan 8.280 nan 0.000 0.537 268 S N -1.857 113.675 115.700 -0.281 0.000 2.651 268 S HA 0.255 4.724 4.470 -0.001 0.000 0.279 268 S C -0.314 174.190 174.600 -0.160 0.000 1.148 268 S CA -0.382 57.564 58.200 -0.424 0.000 0.837 268 S CB 0.362 63.247 63.200 -0.525 0.000 1.138 268 S HN 0.294 nan 8.310 nan 0.000 0.478 269 Y N 0.794 121.043 120.300 -0.086 0.000 2.490 269 Y HA 0.301 4.851 4.550 -0.001 0.000 0.281 269 Y C 0.452 176.425 175.900 0.123 0.000 1.174 269 Y CA -0.564 57.511 58.100 -0.042 0.000 1.295 269 Y CB -1.024 37.318 38.460 -0.197 0.000 1.062 269 Y HN 0.543 nan 8.280 nan 0.000 0.522 270 D N 0.671 121.057 120.400 -0.024 0.000 2.371 270 D HA -0.024 4.615 4.640 -0.001 0.000 0.242 270 D C 1.235 177.651 176.300 0.194 0.000 1.218 270 D CA -0.408 53.675 54.000 0.138 0.000 0.945 270 D CB 0.812 41.649 40.800 0.062 0.000 1.137 270 D HN 0.253 nan 8.370 nan 0.000 0.464 271 I N -0.196 120.470 120.570 0.159 0.000 2.226 271 I HA -0.159 4.011 4.170 -0.001 0.000 0.245 271 I C -0.748 175.399 176.117 0.050 0.000 1.100 271 I CA 0.881 62.261 61.300 0.133 0.000 1.374 271 I CB -1.174 36.895 38.000 0.114 0.000 1.057 271 I HN 0.347 nan 8.210 nan 0.000 0.413 272 P HA -0.149 nan 4.420 nan 0.000 0.221 272 P C 0.851 177.838 177.300 -0.521 0.000 1.145 272 P CA 1.495 64.402 63.100 -0.322 0.000 0.795 272 P CB -0.060 31.417 31.700 -0.372 0.000 0.775 273 H N -2.382 116.670 119.070 -0.031 0.000 2.486 273 H HA 0.275 4.831 4.556 -0.001 0.000 0.284 273 H C 0.756 176.166 175.328 0.137 0.000 1.103 273 H CA 0.722 56.761 56.048 -0.014 0.000 1.089 273 H CB 0.077 29.893 29.762 0.091 0.000 1.603 273 H HN 0.214 nan 8.280 nan 0.000 0.557 274 T N -3.373 111.289 114.554 0.179 0.000 2.986 274 T HA -0.029 4.321 4.350 -0.001 0.000 0.264 274 T C 1.872 176.688 174.700 0.193 0.000 0.964 274 T CA 0.259 62.491 62.100 0.221 0.000 0.895 274 T CB -0.822 68.168 68.868 0.203 0.000 1.163 274 T HN 0.433 nan 8.240 nan 0.000 0.517 275 c N 1.369 120.056 118.600 0.146 0.000 2.563 275 c HA 0.734 5.304 4.570 -0.001 0.000 0.268 275 c C 1.304 175.511 174.090 0.194 0.000 1.365 275 c CA 0.362 56.818 56.329 0.212 0.000 1.754 275 c CB -1.037 41.564 42.510 0.152 0.000 1.932 275 c HN 0.865 nan 8.230 nan 0.000 0.536 276 G N -0.175 108.659 108.800 0.058 0.000 2.315 276 G HA2 0.396 4.355 3.960 -0.001 0.000 0.294 276 G HA3 0.396 4.355 3.960 -0.001 0.000 0.294 276 G C -2.673 171.849 174.900 -0.629 0.000 1.300 276 G CA 0.237 45.307 45.100 -0.050 0.000 0.843 276 G HN -0.113 nan 8.290 nan 0.000 0.527 277 P HA 0.075 nan 4.420 nan 0.000 0.226 277 P C -0.127 176.777 177.300 -0.660 0.000 1.153 277 P CA 1.067 63.513 63.100 -1.090 0.000 0.777 277 P CB 0.377 31.747 31.700 -0.550 0.000 0.794 278 D N 0.863 120.980 120.400 -0.471 0.000 2.454 278 D HA 0.141 4.781 4.640 -0.001 0.000 0.225 278 D C -1.426 174.545 176.300 -0.547 0.000 1.081 278 D CA -2.624 51.138 54.000 -0.396 0.000 0.864 278 D CB 1.310 41.961 40.800 -0.247 0.000 1.040 278 D HN 0.004 nan 8.370 nan 0.000 0.517 279 P HA -0.157 nan 4.420 nan 0.000 0.220 279 P C 1.226 177.748 177.300 -1.296 0.000 1.148 279 P CA 0.716 63.075 63.100 -1.234 0.000 0.803 279 P CB 0.475 31.126 31.700 -1.749 0.000 0.782 280 K N 0.362 120.151 120.400 -1.018 0.000 2.147 280 K HA -0.061 4.258 4.320 -0.001 0.000 0.205 280 K C 1.759 178.202 176.600 -0.261 0.000 1.049 280 K CA 1.062 57.060 56.287 -0.482 0.000 0.936 280 K CB -0.203 32.188 32.500 -0.181 0.000 0.722 280 K HN -0.046 nan 8.250 nan 0.000 0.446 281 V N 0.475 120.234 119.914 -0.258 0.000 2.379 281 V HA -0.222 3.898 4.120 -0.001 0.000 0.243 281 V C 2.428 178.503 176.094 -0.031 0.000 1.035 281 V CA 1.311 63.547 62.300 -0.107 0.000 1.035 281 V CB -0.308 31.468 31.823 -0.078 0.000 0.673 281 V HN 0.467 nan 8.190 nan 0.000 0.457 282 c N -0.686 117.822 118.600 -0.152 0.000 2.422 282 c HA -0.196 4.373 4.570 -0.001 0.000 0.279 282 c C 2.988 177.046 174.090 -0.054 0.000 1.305 282 c CA 0.821 57.116 56.329 -0.056 0.000 1.757 282 c CB -1.456 40.937 42.510 -0.194 0.000 1.962 282 c HN 0.760 nan 8.230 nan 0.000 0.499 283 c N 0.873 119.361 118.600 -0.186 0.000 2.410 283 c HA -0.148 4.422 4.570 -0.001 0.000 0.281 283 c C 2.580 176.567 174.090 -0.171 0.000 1.318 283 c CA 1.227 57.494 56.329 -0.102 0.000 1.776 283 c CB -1.474 41.063 42.510 0.045 0.000 1.942 283 c HN 0.641 nan 8.230 nan 0.000 0.508 284 Q N -1.352 118.295 119.800 -0.255 0.000 2.515 284 Q HA -0.017 4.323 4.340 -0.001 0.000 0.212 284 Q C 0.615 175.971 176.000 -1.073 0.000 0.970 284 Q CA 0.949 56.416 55.803 -0.560 0.000 0.941 284 Q CB -0.028 28.362 28.738 -0.579 0.000 0.998 284 Q HN 0.744 nan 8.270 nan 0.000 0.518 285 F N -0.377 119.291 119.950 -0.470 0.000 2.698 285 F HA 0.167 4.694 4.527 -0.001 0.000 0.304 285 F C 0.211 175.741 175.800 -0.450 0.000 1.108 285 F CA -0.611 57.018 58.000 -0.618 0.000 1.263 285 F CB 0.821 39.701 39.000 -0.199 0.000 1.013 285 F HN -0.138 nan 8.300 nan 0.000 0.532 286 D N 0.105 120.289 120.400 -0.361 0.000 2.467 286 D HA 0.135 4.775 4.640 -0.001 0.000 0.220 286 D C 0.538 176.656 176.300 -0.303 0.000 1.103 286 D CA -0.369 53.537 54.000 -0.157 0.000 0.886 286 D CB 0.126 40.883 40.800 -0.071 0.000 1.025 286 D HN 0.081 nan 8.370 nan 0.000 0.514 287 F N 1.779 121.733 119.950 0.006 0.000 2.771 287 F HA 0.073 4.600 4.527 -0.001 0.000 0.299 287 F C 2.337 178.077 175.800 -0.099 0.000 1.177 287 F CA 0.355 58.331 58.000 -0.041 0.000 1.450 287 F CB 0.031 39.029 39.000 -0.003 0.000 1.114 287 F HN 0.264 nan 8.300 nan 0.000 0.587 288 K N 0.690 121.016 120.400 -0.123 0.000 2.487 288 K HA 0.053 4.373 4.320 -0.001 0.000 0.192 288 K C 1.032 177.578 176.600 -0.090 0.000 1.027 288 K CA 0.234 56.305 56.287 -0.359 0.000 1.054 288 K CB 0.113 32.267 32.500 -0.576 0.000 0.824 288 K HN 0.198 nan 8.250 nan 0.000 0.510 289 R N 0.079 120.560 120.500 -0.031 0.000 2.586 289 R HA 0.211 4.550 4.340 -0.001 0.000 0.306 289 R C 0.880 177.204 176.300 0.040 0.000 1.079 289 R CA -0.175 55.932 56.100 0.012 0.000 1.083 289 R CB 0.255 30.540 30.300 -0.025 0.000 1.306 289 R HN 0.172 nan 8.270 nan 0.000 0.567 290 M N -1.101 118.558 119.600 0.099 0.000 2.502 290 M HA 0.171 4.650 4.480 -0.001 0.000 0.243 290 M C 1.155 177.495 176.300 0.067 0.000 1.130 290 M CA 0.772 56.117 55.300 0.073 0.000 1.055 290 M CB 0.900 33.555 32.600 0.092 0.000 1.457 290 M HN 0.503 nan 8.290 nan 0.000 0.488 291 G N 0.012 108.870 108.800 0.096 0.000 3.638 291 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.196 291 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.196 291 G C 0.978 175.891 174.900 0.022 0.000 1.315 291 G CA 0.228 45.358 45.100 0.050 0.000 0.944 291 G HN 0.398 nan 8.290 nan 0.000 0.434 292 S N 0.324 116.003 115.700 -0.035 0.000 2.469 292 S HA 0.153 4.623 4.470 -0.001 0.000 0.238 292 S C 1.724 176.143 174.600 -0.302 0.000 0.998 292 S CA 1.660 59.743 58.200 -0.194 0.000 0.957 292 S CB -0.437 62.574 63.200 -0.316 0.000 0.764 292 S HN 0.398 nan 8.310 nan 0.000 0.514 293 F N 1.640 121.585 119.950 -0.007 0.000 2.727 293 F HA 0.438 4.965 4.527 -0.001 0.000 0.302 293 F C 1.885 177.680 175.800 -0.007 0.000 1.097 293 F CA -0.074 57.920 58.000 -0.009 0.000 1.330 293 F CB -0.054 38.937 39.000 -0.014 0.000 1.084 293 F HN 0.353 nan 8.300 nan 0.000 0.578 294 G N 1.126 109.998 108.800 0.120 0.000 2.143 294 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.248 294 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.248 294 G C -0.084 174.866 174.900 0.082 0.000 0.991 294 G CA 0.095 45.241 45.100 0.077 0.000 0.689 294 G HN 0.304 nan 8.290 nan 0.000 0.522 295 L N 0.124 121.410 121.223 0.105 0.000 2.323 295 L HA 0.873 5.212 4.340 -0.001 0.000 0.265 295 L C 0.522 177.423 176.870 0.052 0.000 1.012 295 L CA -0.388 54.495 54.840 0.072 0.000 0.820 295 L CB 2.317 44.416 42.059 0.066 0.000 1.334 295 L HN 0.460 nan 8.230 nan 0.000 0.427 296 S N -0.775 114.943 115.700 0.029 0.000 2.656 296 S HA 0.541 5.010 4.470 -0.001 0.000 0.273 296 S C -1.267 173.342 174.600 0.014 0.000 1.168 296 S CA -0.815 57.394 58.200 0.013 0.000 0.817 296 S CB 1.596 64.795 63.200 -0.002 0.000 1.146 296 S HN 0.527 nan 8.310 nan 0.000 0.475 297 c N 2.987 121.597 118.600 0.018 0.000 2.273 297 c HA 0.574 5.144 4.570 -0.001 0.000 0.328 297 c C -1.043 173.024 174.090 -0.039 0.000 1.275 297 c CA -1.174 55.200 56.329 0.074 0.000 1.704 297 c CB 0.905 43.497 42.510 0.135 0.000 2.326 297 c HN 0.774 nan 8.230 nan 0.000 0.517 298 P HA -0.067 nan 4.420 nan 0.000 0.230 298 P C 1.072 178.071 177.300 -0.502 0.000 1.158 298 P CA 1.140 63.958 63.100 -0.470 0.000 0.769 298 P CB 0.091 31.366 31.700 -0.709 0.000 0.807 299 W N 0.738 122.013 121.300 -0.041 0.000 3.180 299 W HA 0.163 4.823 4.660 -0.001 0.000 0.254 299 W C 0.724 177.215 176.519 -0.046 0.000 1.318 299 W CA 0.170 57.487 57.345 -0.047 0.000 1.608 299 W CB -0.470 28.953 29.460 -0.063 0.000 1.124 299 W HN 0.146 nan 8.180 nan 0.000 0.694 300 K N -1.249 119.184 120.400 0.054 0.000 3.500 300 K HA -0.184 4.135 4.320 -0.001 0.000 0.313 300 K C -0.301 176.316 176.600 0.028 0.000 1.338 300 K CA 0.608 56.907 56.287 0.022 0.000 0.963 300 K CB -1.917 30.585 32.500 0.004 0.000 1.267 300 K HN -0.116 nan 8.250 nan 0.000 0.448 301 V N 1.895 121.839 119.914 0.049 0.000 2.378 301 V HA 0.346 4.466 4.120 -0.001 0.000 0.288 301 V C -1.755 174.325 176.094 -0.024 0.000 1.016 301 V CA -1.498 60.804 62.300 0.003 0.000 0.840 301 V CB 1.419 33.238 31.823 -0.007 0.000 0.994 301 V HN -0.028 nan 8.190 nan 0.000 0.431 302 P HA 0.489 nan 4.420 nan 0.000 0.278 302 P C -2.909 174.302 177.300 -0.150 0.000 1.266 302 P CA -2.197 60.859 63.100 -0.073 0.000 0.807 302 P CB 0.746 32.418 31.700 -0.047 0.000 1.094 303 P HA 0.352 nan 4.420 nan 0.000 0.274 303 P C -0.387 176.811 177.300 -0.170 0.000 1.237 303 P CA -0.113 62.783 63.100 -0.339 0.000 0.793 303 P CB 0.664 32.101 31.700 -0.438 0.000 0.977 304 R N 0.143 120.554 120.500 -0.149 0.000 2.686 304 R HA 0.425 4.765 4.340 -0.001 0.000 0.286 304 R C -0.445 175.910 176.300 0.092 0.000 0.969 304 R CA -0.676 55.408 56.100 -0.027 0.000 0.898 304 R CB 1.429 31.691 30.300 -0.062 0.000 1.183 304 R HN 0.352 nan 8.270 nan 0.000 0.456 305 T N 3.845 118.450 114.554 0.084 0.000 2.908 305 T HA 0.047 4.397 4.350 -0.001 0.000 0.301 305 T C 0.741 175.435 174.700 -0.009 0.000 1.019 305 T CA 0.115 62.241 62.100 0.045 0.000 1.152 305 T CB 0.126 68.999 68.868 0.009 0.000 0.966 305 T HN 0.191 nan 8.240 nan 0.000 0.540 306 I N 4.161 124.682 120.570 -0.082 0.000 2.471 306 I HA 0.214 4.383 4.170 -0.001 0.000 0.286 306 I C 1.035 177.106 176.117 -0.077 0.000 1.079 306 I CA 0.069 61.318 61.300 -0.086 0.000 1.398 306 I CB 0.066 37.975 38.000 -0.152 0.000 1.403 306 I HN 0.749 nan 8.210 nan 0.000 0.530 307 S N 3.934 119.600 115.700 -0.058 0.000 2.709 307 S HA 0.456 4.926 4.470 -0.001 0.000 0.302 307 S C 0.364 174.934 174.600 -0.049 0.000 1.127 307 S CA -0.752 57.421 58.200 -0.046 0.000 0.905 307 S CB 2.145 65.325 63.200 -0.033 0.000 1.151 307 S HN 0.496 nan 8.310 nan 0.000 0.510 308 D N 0.538 120.918 120.400 -0.033 0.000 2.264 308 D HA -0.014 4.625 4.640 -0.001 0.000 0.208 308 D C 1.504 177.780 176.300 -0.040 0.000 0.966 308 D CA 1.240 55.222 54.000 -0.031 0.000 0.864 308 D CB -0.215 40.581 40.800 -0.006 0.000 0.933 308 D HN 0.527 nan 8.370 nan 0.000 0.499 309 Q N 0.061 119.841 119.800 -0.034 0.000 2.389 309 Q HA 0.002 4.342 4.340 -0.001 0.000 0.204 309 Q C 1.103 177.080 176.000 -0.040 0.000 0.944 309 Q CA 0.697 56.481 55.803 -0.030 0.000 0.908 309 Q CB 0.000 28.726 28.738 -0.020 0.000 1.002 309 Q HN 0.347 nan 8.270 nan 0.000 0.493 310 N N -1.939 116.730 118.700 -0.052 0.000 2.159 310 N HA -0.011 4.728 4.740 -0.001 0.000 0.217 310 N C 1.005 176.466 175.510 -0.081 0.000 1.223 310 N CA 0.095 53.114 53.050 -0.052 0.000 0.896 310 N CB -0.254 38.211 38.487 -0.038 0.000 1.064 310 N HN 0.034 nan 8.380 nan 0.000 0.518 311 V N 0.513 120.346 119.914 -0.135 0.000 2.490 311 V HA -0.081 4.039 4.120 -0.001 0.000 0.250 311 V C 2.223 178.114 176.094 -0.339 0.000 1.061 311 V CA 2.084 64.253 62.300 -0.218 0.000 1.064 311 V CB -0.849 30.820 31.823 -0.257 0.000 0.670 311 V HN 0.442 nan 8.190 nan 0.000 0.461 312 A N -0.204 122.397 122.820 -0.365 0.000 1.873 312 A HA -0.019 4.300 4.320 -0.001 0.000 0.215 312 A C 2.407 180.021 177.584 0.049 0.000 1.186 312 A CA 2.075 54.011 52.037 -0.168 0.000 0.616 312 A CB -0.958 18.030 19.000 -0.019 0.000 0.823 312 A HN 0.801 nan 8.150 nan 0.000 0.442 313 A N -0.645 122.184 122.820 0.016 0.000 1.929 313 A HA -0.077 4.243 4.320 -0.001 0.000 0.216 313 A C 2.225 179.845 177.584 0.061 0.000 1.176 313 A CA 1.151 53.217 52.037 0.048 0.000 0.628 313 A CB -0.366 18.647 19.000 0.021 0.000 0.816 313 A HN 0.414 nan 8.150 nan 0.000 0.444 314 R N -0.125 120.404 120.500 0.050 0.000 2.075 314 R HA -0.082 4.257 4.340 -0.001 0.000 0.232 314 R C 2.597 178.939 176.300 0.070 0.000 1.126 314 R CA 1.497 57.683 56.100 0.142 0.000 0.963 314 R CB -1.001 29.390 30.300 0.151 0.000 0.858 314 R HN 0.619 nan 8.270 nan 0.000 0.435 315 S N 1.253 116.947 115.700 -0.010 0.000 2.382 315 S HA -0.152 4.317 4.470 -0.001 0.000 0.228 315 S C 1.361 175.862 174.600 -0.165 0.000 1.027 315 S CA 1.376 59.482 58.200 -0.156 0.000 0.991 315 S CB -0.115 63.124 63.200 0.066 0.000 0.823 315 S HN 0.153 nan 8.310 nan 0.000 0.469 316 D N 1.576 122.055 120.400 0.131 0.000 2.177 316 D HA -0.146 4.494 4.640 -0.001 0.000 0.189 316 D C 1.972 178.278 176.300 0.010 0.000 1.002 316 D CA 1.656 55.785 54.000 0.216 0.000 0.845 316 D CB -0.735 40.184 40.800 0.198 0.000 0.960 316 D HN 0.398 nan 8.370 nan 0.000 0.447 317 L N -0.132 121.078 121.223 -0.021 0.000 2.042 317 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 317 L C 2.495 179.198 176.870 -0.278 0.000 1.076 317 L CA 0.583 55.386 54.840 -0.061 0.000 0.749 317 L CB -0.278 41.814 42.059 0.054 0.000 0.893 317 L HN 0.090 nan 8.230 nan 0.000 0.432 318 L N -0.840 120.044 121.223 -0.564 0.000 2.027 318 L HA -0.140 4.199 4.340 -0.001 0.000 0.206 318 L C 2.356 178.554 176.870 -1.120 0.000 1.074 318 L CA 1.583 55.762 54.840 -1.101 0.000 0.745 318 L CB -0.388 40.718 42.059 -1.588 0.000 0.898 318 L HN -0.077 nan 8.230 nan 0.000 0.433 319 V N 0.019 119.375 119.914 -0.931 0.000 2.392 319 V HA -0.317 3.802 4.120 -0.001 0.000 0.249 319 V C 2.305 178.232 176.094 -0.278 0.000 1.059 319 V CA 1.942 63.843 62.300 -0.665 0.000 1.051 319 V CB -0.834 30.562 31.823 -0.711 0.000 0.658 319 V HN 0.604 nan 8.190 nan 0.000 0.455 320 D N -0.819 119.485 120.400 -0.160 0.000 2.117 320 D HA -0.201 4.439 4.640 -0.001 0.000 0.197 320 D C 2.233 178.512 176.300 -0.034 0.000 0.987 320 D CA 1.119 55.137 54.000 0.030 0.000 0.829 320 D CB -0.006 40.867 40.800 0.121 0.000 0.961 320 D HN 0.294 nan 8.370 nan 0.000 0.460 321 Q N -0.491 119.222 119.800 -0.145 0.000 2.084 321 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 321 Q C 2.112 178.130 176.000 0.030 0.000 0.978 321 Q CA 0.962 56.706 55.803 -0.099 0.000 0.844 321 Q CB -0.594 28.028 28.738 -0.193 0.000 0.898 321 Q HN 0.552 nan 8.270 nan 0.000 0.426 322 W N 1.505 122.703 121.300 -0.170 0.000 2.338 322 W HA -0.108 4.551 4.660 -0.001 0.000 0.304 322 W C 2.066 178.469 176.519 -0.193 0.000 1.212 322 W CA 0.795 58.038 57.345 -0.171 0.000 1.264 322 W CB -0.603 28.728 29.460 -0.215 0.000 1.142 322 W HN 0.217 nan 8.180 nan 0.000 0.512 323 K N 0.082 120.445 120.400 -0.062 0.000 2.155 323 K HA -0.118 4.201 4.320 -0.001 0.000 0.203 323 K C 1.933 178.357 176.600 -0.293 0.000 1.052 323 K CA 1.117 57.210 56.287 -0.323 0.000 0.948 323 K CB -0.195 31.824 32.500 -0.801 0.000 0.728 323 K HN 0.068 nan 8.250 nan 0.000 0.448 324 K N 1.054 121.366 120.400 -0.147 0.000 2.025 324 K HA -0.145 4.174 4.320 -0.001 0.000 0.207 324 K C 2.110 178.766 176.600 0.094 0.000 1.049 324 K CA 1.203 57.530 56.287 0.067 0.000 0.933 324 K CB -0.003 32.565 32.500 0.114 0.000 0.714 324 K HN 0.009 nan 8.250 nan 0.000 0.438 325 K N 0.796 121.260 120.400 0.107 0.000 2.097 325 K HA -0.116 4.203 4.320 -0.001 0.000 0.206 325 K C 2.028 178.737 176.600 0.181 0.000 1.049 325 K CA 1.231 57.607 56.287 0.149 0.000 0.933 325 K CB -0.081 32.526 32.500 0.177 0.000 0.717 325 K HN 0.140 nan 8.250 nan 0.000 0.442 326 A N 1.152 124.059 122.820 0.145 0.000 2.070 326 A HA -0.128 4.192 4.320 -0.001 0.000 0.220 326 A C 1.702 179.445 177.584 0.264 0.000 1.159 326 A CA 1.250 53.408 52.037 0.202 0.000 0.656 326 A CB -0.297 18.776 19.000 0.121 0.000 0.800 326 A HN 0.295 nan 8.150 nan 0.000 0.453 327 E N -0.006 120.325 120.200 0.218 0.000 2.338 327 E HA -0.077 4.273 4.350 -0.001 0.000 0.197 327 E C 1.564 178.288 176.600 0.207 0.000 1.007 327 E CA 0.629 57.169 56.400 0.235 0.000 0.849 327 E CB -0.206 29.653 29.700 0.265 0.000 0.774 327 E HN 0.720 nan 8.360 nan 0.000 0.506 328 L N -0.570 120.737 121.223 0.141 0.000 2.591 328 L HA 0.052 4.391 4.340 -0.001 0.000 0.228 328 L C 0.188 176.882 176.870 -0.295 0.000 1.133 328 L CA 0.216 55.019 54.840 -0.062 0.000 0.880 328 L CB -0.059 41.839 42.059 -0.270 0.000 1.033 328 L HN -0.006 nan 8.230 nan 0.000 0.450 329 Y N -1.589 118.792 120.300 0.135 0.000 2.633 329 Y HA 0.378 4.927 4.550 -0.001 0.000 0.339 329 Y C 1.143 177.159 175.900 0.192 0.000 1.045 329 Y CA -0.993 57.208 58.100 0.168 0.000 1.098 329 Y CB 1.145 39.715 38.460 0.183 0.000 1.296 329 Y HN -0.277 nan 8.280 nan 0.000 0.494 330 R N -0.520 120.221 120.500 0.401 0.000 2.254 330 R HA 0.085 4.425 4.340 -0.001 0.000 0.195 330 R C 0.307 176.742 176.300 0.225 0.000 0.957 330 R CA 0.766 57.017 56.100 0.252 0.000 1.024 330 R CB 0.197 30.583 30.300 0.142 0.000 0.952 330 R HN 0.750 nan 8.270 nan 0.000 0.484 331 T N -0.993 113.733 114.554 0.287 0.000 2.922 331 T HA 0.113 4.462 4.350 -0.001 0.000 0.281 331 T C 0.600 175.442 174.700 0.235 0.000 1.005 331 T CA -0.962 61.272 62.100 0.224 0.000 0.982 331 T CB 1.276 70.253 68.868 0.182 0.000 1.158 331 T HN 0.070 nan 8.240 nan 0.000 0.566 332 N N 0.056 118.869 118.700 0.189 0.000 2.295 332 N HA 0.135 4.875 4.740 -0.001 0.000 0.221 332 N C -0.688 174.799 175.510 -0.039 0.000 1.129 332 N CA -0.357 52.767 53.050 0.123 0.000 0.836 332 N CB -0.145 38.352 38.487 0.017 0.000 1.040 332 N HN 0.380 nan 8.380 nan 0.000 0.494 333 V N 1.281 121.200 119.914 0.009 0.000 2.409 333 V HA 0.424 4.544 4.120 -0.001 0.000 0.291 333 V C -0.608 175.544 176.094 0.096 0.000 1.020 333 V CA -0.977 61.319 62.300 -0.006 0.000 0.848 333 V CB 1.534 33.332 31.823 -0.042 0.000 0.990 333 V HN 0.183 nan 8.190 nan 0.000 0.430 334 L N 5.753 126.979 121.223 0.005 0.000 2.341 334 L HA 0.688 5.028 4.340 -0.001 0.000 0.278 334 L C -0.867 175.879 176.870 -0.207 0.000 1.005 334 L CA -0.477 54.299 54.840 -0.106 0.000 0.818 334 L CB 1.662 43.557 42.059 -0.273 0.000 1.259 334 L HN 0.633 nan 8.230 nan 0.000 0.418 335 L N 6.408 127.321 121.223 -0.516 0.000 2.265 335 L HA 0.549 4.889 4.340 -0.001 0.000 0.288 335 L C -0.994 175.596 176.870 -0.466 0.000 1.058 335 L CA 0.167 54.538 54.840 -0.782 0.000 0.809 335 L CB 0.742 41.847 42.059 -1.590 0.000 1.179 335 L HN 0.446 nan 8.230 nan 0.000 0.429 336 I N 7.404 127.778 120.570 -0.327 0.000 2.502 336 I HA 0.335 4.504 4.170 -0.001 0.000 0.276 336 I C -2.280 173.813 176.117 -0.039 0.000 1.057 336 I CA -1.953 59.242 61.300 -0.175 0.000 1.163 336 I CB 1.020 38.886 38.000 -0.222 0.000 1.288 336 I HN 0.430 nan 8.210 nan 0.000 0.479 337 P HA 0.145 nan 4.420 nan 0.000 0.269 337 P C -0.456 177.015 177.300 0.284 0.000 1.209 337 P CA -0.202 63.027 63.100 0.215 0.000 0.776 337 P CB 0.823 32.687 31.700 0.272 0.000 0.876 338 L N 2.879 124.308 121.223 0.342 0.000 2.454 338 L HA 0.754 5.093 4.340 -0.001 0.000 0.258 338 L C -0.129 176.804 176.870 0.105 0.000 1.025 338 L CA 0.398 55.363 54.840 0.208 0.000 0.901 338 L CB 0.462 42.575 42.059 0.091 0.000 1.210 338 L HN 0.605 nan 8.230 nan 0.000 0.457 339 G N 1.632 110.387 108.800 -0.074 0.000 2.342 339 G HA2 0.482 4.442 3.960 -0.001 0.000 0.297 339 G HA3 0.482 4.442 3.960 -0.001 0.000 0.297 339 G C -2.191 172.607 174.900 -0.170 0.000 1.313 339 G CA -0.240 44.580 45.100 -0.466 0.000 0.830 339 G HN 0.377 nan 8.290 nan 0.000 0.506 340 D N -1.766 118.599 120.400 -0.058 0.000 2.879 340 D HA 0.307 4.947 4.640 -0.001 0.000 0.346 340 D C -1.499 174.937 176.300 0.227 0.000 1.390 340 D CA -0.437 53.702 54.000 0.231 0.000 0.838 340 D CB 1.358 42.250 40.800 0.152 0.000 1.416 340 D HN 0.223 nan 8.370 nan 0.000 0.493 341 D N 0.400 120.990 120.400 0.317 0.000 2.417 341 D HA 0.212 4.852 4.640 -0.001 0.000 0.250 341 D C 0.196 176.656 176.300 0.267 0.000 1.166 341 D CA 0.453 54.620 54.000 0.278 0.000 0.881 341 D CB -0.271 40.800 40.800 0.452 0.000 1.164 341 D HN 0.329 nan 8.370 nan 0.000 0.467 342 F N 0.290 120.296 119.950 0.094 0.000 3.048 342 F HA -0.311 4.215 4.527 -0.001 0.000 0.269 342 F C 1.118 176.960 175.800 0.070 0.000 0.960 342 F CA 0.634 58.671 58.000 0.062 0.000 0.909 342 F CB -0.943 38.081 39.000 0.039 0.000 0.837 342 F HN 0.221 nan 8.300 nan 0.000 0.768 343 R N -0.505 120.089 120.500 0.156 0.000 2.580 343 R HA 0.476 4.816 4.340 -0.001 0.000 0.267 343 R C 0.698 177.047 176.300 0.081 0.000 1.125 343 R CA -0.772 55.315 56.100 -0.021 0.000 1.188 343 R CB -0.078 30.103 30.300 -0.197 0.000 1.155 343 R HN 0.194 nan 8.270 nan 0.000 0.586 344 F N -0.667 119.127 119.950 -0.260 0.000 3.040 344 F HA -0.282 4.245 4.527 -0.001 0.000 0.298 344 F C 1.326 177.086 175.800 -0.065 0.000 0.948 344 F CA 1.019 58.666 58.000 -0.588 0.000 1.022 344 F CB -1.066 37.276 39.000 -1.097 0.000 1.023 344 F HN 0.601 nan 8.300 nan 0.000 0.742 345 K N 0.172 120.629 120.400 0.094 0.000 2.107 345 K HA 0.082 4.402 4.320 -0.001 0.000 0.211 345 K C 0.838 177.593 176.600 0.258 0.000 1.024 345 K CA 0.415 56.835 56.287 0.221 0.000 0.953 345 K CB 0.158 32.755 32.500 0.161 0.000 0.831 345 K HN 0.352 nan 8.250 nan 0.000 0.454 346 Q N 1.599 121.514 119.800 0.193 0.000 2.364 346 Q HA 0.003 4.342 4.340 -0.001 0.000 0.267 346 Q C 0.548 176.743 176.000 0.324 0.000 0.999 346 Q CA -0.215 55.728 55.803 0.234 0.000 0.886 346 Q CB 0.742 29.655 28.738 0.292 0.000 1.243 346 Q HN 0.344 nan 8.270 nan 0.000 0.415 347 N N 1.141 120.006 118.700 0.275 0.000 2.104 347 N HA -0.154 4.586 4.740 -0.001 0.000 0.190 347 N C 1.794 177.477 175.510 0.290 0.000 1.024 347 N CA 2.126 55.347 53.050 0.286 0.000 0.853 347 N CB -0.342 38.258 38.487 0.187 0.000 1.008 347 N HN 0.715 nan 8.380 nan 0.000 0.424 348 T N -1.048 113.660 114.554 0.257 0.000 2.881 348 T HA -0.132 4.217 4.350 -0.001 0.000 0.270 348 T C 1.705 176.604 174.700 0.331 0.000 1.068 348 T CA 1.222 63.489 62.100 0.278 0.000 1.131 348 T CB -0.114 68.900 68.868 0.243 0.000 0.871 348 T HN 0.351 nan 8.240 nan 0.000 0.479 349 E N -0.280 120.072 120.200 0.254 0.000 2.072 349 E HA -0.089 4.261 4.350 -0.001 0.000 0.190 349 E C 1.830 178.335 176.600 -0.159 0.000 0.982 349 E CA 0.678 57.002 56.400 -0.127 0.000 0.803 349 E CB -0.247 29.219 29.700 -0.390 0.000 0.755 349 E HN 0.693 nan 8.360 nan 0.000 0.453 350 W N 1.877 123.100 121.300 -0.129 0.000 2.335 350 W HA -0.197 4.462 4.660 -0.001 0.000 0.311 350 W C 2.133 178.514 176.519 -0.230 0.000 1.213 350 W CA 1.399 58.579 57.345 -0.275 0.000 1.274 350 W CB -0.303 28.665 29.460 -0.819 0.000 1.148 350 W HN 0.188 nan 8.180 nan 0.000 0.498 351 D N -0.572 119.927 120.400 0.165 0.000 2.097 351 D HA -0.175 4.464 4.640 -0.001 0.000 0.195 351 D C 2.277 178.661 176.300 0.139 0.000 0.989 351 D CA 1.499 55.631 54.000 0.220 0.000 0.827 351 D CB -1.007 39.932 40.800 0.233 0.000 0.966 351 D HN 0.035 nan 8.370 nan 0.000 0.456 352 V N 0.968 120.952 119.914 0.115 0.000 2.407 352 V HA -0.214 3.906 4.120 -0.001 0.000 0.248 352 V C 2.234 178.353 176.094 0.042 0.000 1.055 352 V CA 1.598 63.946 62.300 0.080 0.000 1.049 352 V CB -0.061 31.859 31.823 0.161 0.000 0.662 352 V HN 0.155 nan 8.190 nan 0.000 0.455 353 Q N -0.431 119.425 119.800 0.094 0.000 2.062 353 Q HA -0.154 4.185 4.340 -0.001 0.000 0.196 353 Q C 2.344 178.530 176.000 0.310 0.000 0.967 353 Q CA 1.673 57.628 55.803 0.253 0.000 0.832 353 Q CB -0.445 28.412 28.738 0.199 0.000 0.899 353 Q HN 0.607 nan 8.270 nan 0.000 0.442 354 R N 0.560 121.205 120.500 0.242 0.000 2.073 354 R HA -0.110 4.229 4.340 -0.001 0.000 0.234 354 R C 2.224 178.692 176.300 0.281 0.000 1.134 354 R CA 1.397 57.691 56.100 0.323 0.000 0.952 354 R CB -0.075 30.395 30.300 0.283 0.000 0.850 354 R HN 0.054 nan 8.270 nan 0.000 0.433 355 V N 1.916 121.914 119.914 0.140 0.000 2.358 355 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 355 V C 1.990 178.022 176.094 -0.102 0.000 1.047 355 V CA 1.849 64.178 62.300 0.047 0.000 1.035 355 V CB -0.607 31.233 31.823 0.029 0.000 0.658 355 V HN 0.440 nan 8.190 nan 0.000 0.452 356 N N -0.714 117.810 118.700 -0.294 0.000 2.188 356 N HA -0.164 4.575 4.740 -0.001 0.000 0.184 356 N C 1.841 177.030 175.510 -0.534 0.000 1.018 356 N CA 1.595 54.258 53.050 -0.644 0.000 0.858 356 N CB -0.274 37.232 38.487 -1.634 0.000 0.989 356 N HN 0.526 nan 8.380 nan 0.000 0.426 357 Y N 1.862 121.976 120.300 -0.309 0.000 2.263 357 Y HA -0.036 4.513 4.550 -0.001 0.000 0.292 357 Y C 2.336 177.729 175.900 -0.844 0.000 1.130 357 Y CA 0.896 58.691 58.100 -0.510 0.000 1.179 357 Y CB -0.052 38.211 38.460 -0.330 0.000 0.998 357 Y HN 0.108 nan 8.280 nan 0.000 0.532 358 E N -0.178 119.889 120.200 -0.223 0.000 2.110 358 E HA -0.227 4.123 4.350 -0.001 0.000 0.193 358 E C 2.172 178.716 176.600 -0.093 0.000 0.988 358 E CA 1.043 57.390 56.400 -0.088 0.000 0.804 358 E CB -0.123 29.655 29.700 0.129 0.000 0.745 358 E HN 0.466 nan 8.360 nan 0.000 0.458 359 R N 0.279 120.703 120.500 -0.128 0.000 2.092 359 R HA -0.073 4.267 4.340 -0.001 0.000 0.231 359 R C 2.427 178.691 176.300 -0.061 0.000 1.119 359 R CA 0.775 56.831 56.100 -0.074 0.000 0.970 359 R CB -0.200 30.040 30.300 -0.100 0.000 0.864 359 R HN 0.160 nan 8.270 nan 0.000 0.440 360 L N -0.401 120.714 121.223 -0.179 0.000 2.027 360 L HA -0.156 4.184 4.340 -0.001 0.000 0.206 360 L C 2.069 178.968 176.870 0.047 0.000 1.074 360 L CA 1.135 55.905 54.840 -0.117 0.000 0.745 360 L CB -0.396 41.506 42.059 -0.260 0.000 0.898 360 L HN 0.072 nan 8.230 nan 0.000 0.433 361 F N 0.255 120.220 119.950 0.025 0.000 2.134 361 F HA -0.217 4.309 4.527 -0.001 0.000 0.299 361 F C 2.639 178.446 175.800 0.012 0.000 1.097 361 F CA 1.281 59.284 58.000 0.004 0.000 1.264 361 F CB -1.003 37.959 39.000 -0.064 0.000 1.001 361 F HN 0.195 nan 8.300 nan 0.000 0.479 362 E N -0.714 119.609 120.200 0.207 0.000 2.077 362 E HA -0.293 4.057 4.350 -0.001 0.000 0.193 362 E C 2.208 178.890 176.600 0.136 0.000 0.989 362 E CA 1.500 57.985 56.400 0.142 0.000 0.800 362 E CB -0.226 29.542 29.700 0.113 0.000 0.746 362 E HN 0.513 nan 8.360 nan 0.000 0.452 363 H N 0.269 119.384 119.070 0.075 0.000 2.299 363 H HA -0.057 4.498 4.556 -0.001 0.000 0.302 363 H C 2.067 177.473 175.328 0.130 0.000 1.078 363 H CA 2.177 58.280 56.048 0.092 0.000 1.323 363 H CB -0.218 29.593 29.762 0.082 0.000 1.381 363 H HN 0.137 nan 8.280 nan 0.000 0.498 364 I N 0.493 121.119 120.570 0.092 0.000 2.163 364 I HA -0.305 3.864 4.170 -0.001 0.000 0.243 364 I C 1.593 177.725 176.117 0.025 0.000 1.085 364 I CA 1.478 62.788 61.300 0.016 0.000 1.347 364 I CB -0.308 37.654 38.000 -0.065 0.000 1.044 364 I HN 0.371 nan 8.210 nan 0.000 0.408 365 N N 0.221 118.936 118.700 0.025 0.000 2.512 365 N HA -0.098 4.642 4.740 -0.001 0.000 0.183 365 N C 1.757 177.253 175.510 -0.023 0.000 1.073 365 N CA 1.348 54.392 53.050 -0.010 0.000 0.911 365 N CB -0.199 38.277 38.487 -0.018 0.000 0.964 365 N HN 0.416 nan 8.380 nan 0.000 0.447 366 S N -1.192 114.486 115.700 -0.036 0.000 2.524 366 S HA 0.155 4.624 4.470 -0.001 0.000 0.215 366 S C 0.549 175.102 174.600 -0.079 0.000 0.986 366 S CA -0.236 57.936 58.200 -0.047 0.000 0.911 366 S CB 0.328 63.511 63.200 -0.029 0.000 0.805 366 S HN -0.065 nan 8.310 nan 0.000 0.501 367 Q N 1.519 121.247 119.800 -0.120 0.000 2.456 367 Q HA 0.546 4.886 4.340 -0.001 0.000 0.234 367 Q C 1.001 176.884 176.000 -0.195 0.000 1.061 367 Q CA 0.106 55.805 55.803 -0.173 0.000 0.896 367 Q CB 1.026 29.582 28.738 -0.305 0.000 1.233 367 Q HN 0.468 nan 8.270 nan 0.000 0.506 368 A N 2.611 125.372 122.820 -0.098 0.000 1.986 368 A HA -0.272 4.048 4.320 -0.001 0.000 0.220 368 A C 1.616 179.139 177.584 -0.102 0.000 1.171 368 A CA 2.168 54.161 52.037 -0.074 0.000 0.640 368 A CB -0.749 18.233 19.000 -0.030 0.000 0.811 368 A HN 0.895 nan 8.150 nan 0.000 0.451 369 H N -3.336 115.659 119.070 -0.125 0.000 2.489 369 H HA -0.071 4.485 4.556 -0.001 0.000 0.295 369 H C 1.312 176.581 175.328 -0.098 0.000 1.082 369 H CA 1.613 57.572 56.048 -0.147 0.000 1.295 369 H CB -0.572 29.045 29.762 -0.241 0.000 1.380 369 H HN 0.440 nan 8.280 nan 0.000 0.548 370 F N 0.749 120.403 119.950 -0.494 0.000 2.416 370 F HA 0.070 4.596 4.527 -0.001 0.000 0.296 370 F C 0.754 176.496 175.800 -0.096 0.000 1.099 370 F CA 0.428 58.276 58.000 -0.252 0.000 1.427 370 F CB -0.190 38.640 39.000 -0.284 0.000 1.079 370 F HN 0.153 nan 8.300 nan 0.000 0.536 371 N N 0.752 119.500 118.700 0.079 0.000 2.725 371 N HA -0.166 4.573 4.740 -0.001 0.000 0.251 371 N C -0.982 174.517 175.510 -0.018 0.000 1.031 371 N CA 0.437 53.514 53.050 0.045 0.000 0.720 371 N CB -1.484 37.069 38.487 0.110 0.000 0.930 371 N HN 0.035 nan 8.380 nan 0.000 0.543 372 V N 0.654 120.549 119.914 -0.032 0.000 2.735 372 V HA 0.399 4.519 4.120 -0.001 0.000 0.310 372 V C 0.133 176.146 176.094 -0.135 0.000 1.061 372 V CA -0.652 61.577 62.300 -0.118 0.000 0.913 372 V CB 2.464 34.248 31.823 -0.065 0.000 1.005 372 V HN 0.181 nan 8.190 nan 0.000 0.428 373 Q N 3.147 122.810 119.800 -0.228 0.000 2.363 373 Q HA 0.747 5.087 4.340 -0.001 0.000 0.265 373 Q C -0.790 174.963 176.000 -0.412 0.000 1.032 373 Q CA -0.135 55.512 55.803 -0.259 0.000 0.746 373 Q CB 1.556 30.144 28.738 -0.251 0.000 1.237 373 Q HN 0.987 nan 8.270 nan 0.000 0.475 374 A N 4.187 126.755 122.820 -0.421 0.000 2.340 374 A HA 0.925 5.244 4.320 -0.001 0.000 0.331 374 A C -1.120 175.808 177.584 -1.093 0.000 1.140 374 A CA -0.476 51.145 52.037 -0.693 0.000 0.801 374 A CB 1.176 19.935 19.000 -0.401 0.000 1.234 374 A HN 0.771 nan 8.150 nan 0.000 0.469 375 Q N 0.898 119.944 119.800 -1.256 0.000 2.633 375 Q HA 0.437 4.776 4.340 -0.001 0.000 0.289 375 Q C -1.724 173.830 176.000 -0.742 0.000 0.940 375 Q CA -0.687 54.408 55.803 -1.180 0.000 0.785 375 Q CB 0.502 28.920 28.738 -0.534 0.000 1.467 375 Q HN 0.384 nan 8.270 nan 0.000 0.401 376 F N 0.480 120.319 119.950 -0.185 0.000 2.471 376 F HA 0.655 5.181 4.527 -0.001 0.000 0.353 376 F C 1.213 177.053 175.800 0.067 0.000 1.113 376 F CA 1.405 59.435 58.000 0.049 0.000 1.262 376 F CB 1.096 40.185 39.000 0.148 0.000 1.146 376 F HN 0.751 nan 8.300 nan 0.000 0.578 377 G N 0.242 109.212 108.800 0.284 0.000 2.687 377 G HA2 0.601 4.561 3.960 -0.001 0.000 0.291 377 G HA3 0.601 4.561 3.960 -0.001 0.000 0.291 377 G C -1.116 173.771 174.900 -0.022 0.000 1.420 377 G CA -0.652 44.545 45.100 0.161 0.000 0.796 377 G HN 0.710 nan 8.290 nan 0.000 0.485 378 T N -1.847 112.614 114.554 -0.156 0.000 2.937 378 T HA 0.477 4.827 4.350 -0.001 0.000 0.283 378 T C 1.277 175.813 174.700 -0.272 0.000 1.012 378 T CA -0.472 61.506 62.100 -0.203 0.000 0.997 378 T CB 1.550 70.314 68.868 -0.173 0.000 1.136 378 T HN 0.569 nan 8.240 nan 0.000 0.551 379 L N 0.519 121.584 121.223 -0.263 0.000 2.046 379 L HA 0.032 4.372 4.340 -0.001 0.000 0.208 379 L C 2.748 179.573 176.870 -0.075 0.000 1.077 379 L CA 1.962 56.674 54.840 -0.213 0.000 0.747 379 L CB -1.092 40.873 42.059 -0.157 0.000 0.896 379 L HN 0.888 nan 8.230 nan 0.000 0.432 380 Q N -0.111 119.669 119.800 -0.032 0.000 2.170 380 Q HA -0.214 4.126 4.340 -0.001 0.000 0.203 380 Q C 2.076 178.010 176.000 -0.109 0.000 0.976 380 Q CA 1.883 57.703 55.803 0.028 0.000 0.858 380 Q CB -0.154 28.573 28.738 -0.019 0.000 0.907 380 Q HN 0.631 nan 8.270 nan 0.000 0.433 381 E N -1.215 118.825 120.200 -0.267 0.000 2.077 381 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 381 E C 1.672 177.847 176.600 -0.710 0.000 0.989 381 E CA 1.109 57.227 56.400 -0.471 0.000 0.800 381 E CB -0.289 29.038 29.700 -0.621 0.000 0.746 381 E HN 0.475 nan 8.360 nan 0.000 0.452 382 Y N 0.676 120.455 120.300 -0.868 0.000 2.097 382 Y HA -0.291 4.258 4.550 -0.001 0.000 0.282 382 Y C 1.901 177.518 175.900 -0.471 0.000 1.152 382 Y CA 1.710 59.349 58.100 -0.770 0.000 1.136 382 Y CB -0.512 37.510 38.460 -0.729 0.000 0.975 382 Y HN -0.052 nan 8.280 nan 0.000 0.498 383 F N 0.930 120.646 119.950 -0.390 0.000 2.134 383 F HA -0.196 4.331 4.527 -0.001 0.000 0.299 383 F C 2.268 177.840 175.800 -0.379 0.000 1.097 383 F CA 1.791 59.530 58.000 -0.435 0.000 1.264 383 F CB -0.884 38.047 39.000 -0.116 0.000 1.001 383 F HN 0.110 nan 8.300 nan 0.000 0.479 384 D N 0.020 120.375 120.400 -0.075 0.000 2.123 384 D HA -0.164 4.476 4.640 -0.001 0.000 0.196 384 D C 2.346 178.570 176.300 -0.127 0.000 0.992 384 D CA 1.515 55.475 54.000 -0.067 0.000 0.833 384 D CB -0.587 40.165 40.800 -0.081 0.000 0.954 384 D HN 0.252 nan 8.370 nan 0.000 0.455 385 A N 0.422 123.113 122.820 -0.215 0.000 1.929 385 A HA -0.081 4.239 4.320 -0.001 0.000 0.216 385 A C 2.515 179.976 177.584 -0.205 0.000 1.176 385 A CA 0.829 52.781 52.037 -0.141 0.000 0.628 385 A CB -0.578 18.415 19.000 -0.011 0.000 0.816 385 A HN 0.132 nan 8.150 nan 0.000 0.444 386 V N -0.059 119.598 119.914 -0.428 0.000 2.295 386 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 386 V C 2.400 178.301 176.094 -0.321 0.000 1.049 386 V CA 2.089 64.129 62.300 -0.432 0.000 1.024 386 V CB -1.010 30.374 31.823 -0.733 0.000 0.648 386 V HN 0.653 nan 8.190 nan 0.000 0.447 387 H N -0.252 118.703 119.070 -0.190 0.000 2.457 387 H HA -0.087 4.469 4.556 -0.001 0.000 0.294 387 H C 2.395 177.688 175.328 -0.058 0.000 1.064 387 H CA 1.320 57.288 56.048 -0.133 0.000 1.330 387 H CB -0.077 29.568 29.762 -0.195 0.000 1.395 387 H HN 0.557 nan 8.280 nan 0.000 0.541 388 Q N 0.225 120.038 119.800 0.022 0.000 2.119 388 Q HA -0.046 4.293 4.340 -0.001 0.000 0.201 388 Q C 2.544 178.560 176.000 0.027 0.000 0.972 388 Q CA 1.214 57.029 55.803 0.020 0.000 0.847 388 Q CB 0.038 28.776 28.738 0.001 0.000 0.903 388 Q HN 0.407 nan 8.270 nan 0.000 0.433 389 A N 1.085 123.917 122.820 0.020 0.000 1.898 389 A HA -0.248 4.072 4.320 -0.001 0.000 0.216 389 A C 1.940 179.554 177.584 0.051 0.000 1.181 389 A CA 1.554 53.617 52.037 0.042 0.000 0.620 389 A CB -0.525 18.504 19.000 0.049 0.000 0.819 389 A HN 0.441 nan 8.150 nan 0.000 0.442 390 E N -0.165 120.082 120.200 0.079 0.000 2.051 390 E HA -0.223 4.127 4.350 -0.001 0.000 0.192 390 E C 2.206 178.845 176.600 0.066 0.000 0.991 390 E CA 1.143 57.598 56.400 0.092 0.000 0.799 390 E CB -0.146 29.712 29.700 0.264 0.000 0.748 390 E HN 0.572 nan 8.360 nan 0.000 0.449 391 R N -0.270 120.271 120.500 0.068 0.000 2.148 391 R HA -0.034 4.306 4.340 -0.001 0.000 0.227 391 R C 2.096 178.414 176.300 0.029 0.000 1.103 391 R CA 0.850 56.977 56.100 0.044 0.000 0.983 391 R CB -0.125 30.197 30.300 0.036 0.000 0.874 391 R HN 0.136 nan 8.270 nan 0.000 0.451 392 A N 0.239 123.077 122.820 0.031 0.000 2.235 392 A HA 0.170 4.489 4.320 -0.001 0.000 0.208 392 A C 1.315 178.910 177.584 0.019 0.000 1.172 392 A CA 0.765 52.818 52.037 0.026 0.000 0.786 392 A CB -0.194 18.826 19.000 0.034 0.000 0.804 392 A HN 0.444 nan 8.150 nan 0.000 0.479 393 G N -0.255 108.554 108.800 0.014 0.000 2.147 393 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.244 393 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.244 393 G C 0.680 175.574 174.900 -0.010 0.000 1.005 393 G CA 0.697 45.797 45.100 -0.001 0.000 0.713 393 G HN 1.012 nan 8.290 nan 0.000 0.515 394 Q N -0.888 118.911 119.800 -0.001 0.000 2.425 394 Q HA 0.666 5.006 4.340 -0.001 0.000 0.204 394 Q C 0.809 176.787 176.000 -0.037 0.000 0.933 394 Q CA 1.090 56.894 55.803 0.002 0.000 0.939 394 Q CB 0.450 29.224 28.738 0.059 0.000 1.044 394 Q HN 1.687 nan 8.270 nan 0.000 0.513 395 A N 1.173 123.928 122.820 -0.107 0.000 2.605 395 A HA 0.498 4.817 4.320 -0.001 0.000 0.294 395 A C -1.734 175.622 177.584 -0.380 0.000 1.062 395 A CA -0.917 50.965 52.037 -0.257 0.000 0.682 395 A CB 1.235 20.024 19.000 -0.351 0.000 1.278 395 A HN 0.372 nan 8.150 nan 0.000 0.410 396 E N 0.802 120.753 120.200 -0.415 0.000 2.288 396 E HA 0.781 5.131 4.350 -0.001 0.000 0.268 396 E C -1.735 174.629 176.600 -0.393 0.000 0.885 396 E CA -0.589 55.632 56.400 -0.298 0.000 0.767 396 E CB 1.802 31.446 29.700 -0.093 0.000 1.220 396 E HN 0.343 nan 8.360 nan 0.000 0.427 397 F N 1.416 121.472 119.950 0.176 0.000 2.492 397 F HA 0.442 4.969 4.527 -0.000 0.000 0.327 397 F C -1.934 173.963 175.800 0.162 0.000 1.079 397 F CA -2.312 55.812 58.000 0.206 0.000 0.967 397 F CB 1.353 40.553 39.000 0.333 0.000 1.169 397 F HN 0.335 nan 8.300 nan 0.000 0.472 398 P HA 0.195 nan 4.420 nan 0.000 0.274 398 P C -0.681 176.754 177.300 0.224 0.000 1.237 398 P CA -0.363 62.863 63.100 0.209 0.000 0.793 398 P CB 1.053 32.843 31.700 0.149 0.000 0.977 399 T N -0.380 114.259 114.554 0.142 0.000 2.907 399 T HA 0.677 5.027 4.350 -0.001 0.000 0.284 399 T C -0.268 174.459 174.700 0.045 0.000 1.004 399 T CA -0.788 61.388 62.100 0.127 0.000 1.063 399 T CB 1.052 69.973 68.868 0.089 0.000 0.992 399 T HN 0.473 nan 8.240 nan 0.000 0.483 400 L N 1.694 122.944 121.223 0.045 0.000 2.472 400 L HA 0.708 5.048 4.340 -0.001 0.000 0.260 400 L C -0.818 176.042 176.870 -0.018 0.000 0.963 400 L CA -0.400 54.364 54.840 -0.127 0.000 0.829 400 L CB 2.177 43.928 42.059 -0.513 0.000 1.348 400 L HN 1.122 nan 8.230 nan 0.000 0.408 401 S N 2.431 118.072 115.700 -0.097 0.000 2.595 401 S HA 1.060 5.530 4.470 -0.001 0.000 0.281 401 S C -0.351 174.172 174.600 -0.128 0.000 1.117 401 S CA -0.032 58.171 58.200 0.005 0.000 0.873 401 S CB 2.049 65.218 63.200 -0.052 0.000 1.108 401 S HN 1.734 nan 8.310 nan 0.000 0.477 402 G N 1.058 109.839 108.800 -0.031 0.000 2.331 402 G HA2 0.326 4.286 3.960 -0.001 0.000 0.479 402 G HA3 0.326 4.286 3.960 -0.001 0.000 0.479 402 G C -1.810 172.995 174.900 -0.159 0.000 1.262 402 G CA -0.008 44.979 45.100 -0.188 0.000 1.029 402 G HN 1.293 nan 8.290 nan 0.000 0.487 403 D N -1.700 118.475 120.400 -0.376 0.000 2.654 403 D HA 0.749 5.389 4.640 -0.001 0.000 0.255 403 D C -0.622 175.182 176.300 -0.827 0.000 1.101 403 D CA -1.061 52.734 54.000 -0.342 0.000 1.116 403 D CB 1.062 41.834 40.800 -0.048 0.000 1.348 403 D HN 0.381 nan 8.370 nan 0.000 0.609 404 F N -0.432 119.398 119.950 -0.201 0.000 2.679 404 F HA 0.402 4.928 4.527 -0.001 0.000 0.354 404 F C -0.943 174.702 175.800 -0.260 0.000 1.423 404 F CA -0.639 57.243 58.000 -0.196 0.000 1.141 404 F CB 0.164 39.081 39.000 -0.137 0.000 1.168 404 F HN -0.005 nan 8.300 nan 0.000 0.530 405 F N -0.660 119.471 119.950 0.301 0.000 2.546 405 F HA 0.561 5.088 4.527 -0.001 0.000 0.320 405 F C 0.527 176.583 175.800 0.427 0.000 1.076 405 F CA -1.428 56.817 58.000 0.408 0.000 0.928 405 F CB 1.742 40.971 39.000 0.382 0.000 1.189 405 F HN -0.278 nan 8.300 nan 0.000 0.465 406 T N 2.045 116.981 114.554 0.635 0.000 2.799 406 T HA 0.171 4.521 4.350 -0.001 0.000 0.286 406 T C -0.923 174.242 174.700 0.775 0.000 0.973 406 T CA -0.219 62.322 62.100 0.735 0.000 1.035 406 T CB 0.151 69.320 68.868 0.502 0.000 0.932 406 T HN 0.369 nan 8.240 nan 0.000 0.469 407 Y N 3.026 123.658 120.300 0.552 0.000 2.610 407 Y HA 0.390 4.940 4.550 -0.001 0.000 0.332 407 Y C -0.106 175.846 175.900 0.086 0.000 1.201 407 Y CA -0.964 57.295 58.100 0.266 0.000 1.465 407 Y CB 0.103 38.600 38.460 0.062 0.000 1.283 407 Y HN 0.683 nan 8.280 nan 0.000 0.563 408 A N 5.231 127.577 122.820 -0.791 0.000 2.398 408 A HA 0.359 4.678 4.320 -0.001 0.000 0.301 408 A C -0.104 176.861 177.584 -1.031 0.000 1.041 408 A CA -0.270 51.165 52.037 -1.003 0.000 0.711 408 A CB 0.698 18.852 19.000 -1.410 0.000 1.240 408 A HN 0.797 nan 8.150 nan 0.000 0.420 409 D N 1.602 121.540 120.400 -0.771 0.000 2.346 409 D HA 0.054 4.694 4.640 -0.001 0.000 0.206 409 D C 0.523 176.838 176.300 0.024 0.000 1.001 409 D CA 0.513 54.336 54.000 -0.295 0.000 0.871 409 D CB 0.169 40.924 40.800 -0.074 0.000 0.943 409 D HN 0.729 nan 8.370 nan 0.000 0.518 410 R N -1.162 119.291 120.500 -0.079 0.000 2.687 410 R HA 0.337 4.676 4.340 -0.001 0.000 0.265 410 R C 0.179 176.377 176.300 -0.171 0.000 1.048 410 R CA -0.071 55.840 56.100 -0.315 0.000 0.884 410 R CB 0.644 30.832 30.300 -0.186 0.000 1.258 410 R HN 0.000 nan 8.270 nan 0.000 0.469 411 S N 1.133 116.687 115.700 -0.243 0.000 4.106 411 S HA -0.371 4.099 4.470 -0.001 0.000 0.541 411 S C 0.640 175.326 174.600 0.143 0.000 1.846 411 S CA 1.732 59.934 58.200 0.003 0.000 4.137 411 S CB -1.610 61.576 63.200 -0.023 0.000 0.892 411 S HN 1.065 nan 8.310 nan 0.000 0.535 412 D N 1.582 122.053 120.400 0.119 0.000 2.427 412 D HA 0.190 4.830 4.640 -0.001 0.000 0.224 412 D C -0.125 176.282 176.300 0.178 0.000 1.157 412 D CA -0.282 53.855 54.000 0.228 0.000 0.828 412 D CB -1.611 39.303 40.800 0.189 0.000 0.974 412 D HN 0.645 nan 8.370 nan 0.000 0.498 413 N N 0.955 119.664 118.700 0.016 0.000 2.739 413 N HA 0.044 4.783 4.740 -0.001 0.000 0.266 413 N C -0.922 174.604 175.510 0.026 0.000 1.168 413 N CA -0.297 52.764 53.050 0.018 0.000 1.055 413 N CB 0.114 38.600 38.487 -0.002 0.000 1.393 413 N HN 0.142 nan 8.380 nan 0.000 0.514 414 Y N 0.242 120.629 120.300 0.146 0.000 2.316 414 Y HA 0.109 4.658 4.550 -0.001 0.000 0.331 414 Y C 0.085 176.187 175.900 0.336 0.000 1.083 414 Y CA -0.685 57.563 58.100 0.246 0.000 1.206 414 Y CB 0.533 39.086 38.460 0.154 0.000 1.195 414 Y HN 0.385 nan 8.280 nan 0.000 0.497 415 W N 2.617 124.045 121.300 0.213 0.000 1.496 415 W HA 0.218 4.878 4.660 -0.001 0.000 0.422 415 W C 0.826 177.398 176.519 0.088 0.000 0.638 415 W CA -0.569 56.934 57.345 0.264 0.000 2.105 415 W CB -0.510 29.210 29.460 0.434 0.000 1.639 415 W HN 0.550 nan 8.180 nan 0.000 0.304 416 S N -2.024 113.718 115.700 0.071 0.000 2.540 416 S HA 0.138 4.608 4.470 -0.001 0.000 0.218 416 S C 1.915 176.258 174.600 -0.430 0.000 0.977 416 S CA 0.300 58.180 58.200 -0.534 0.000 0.918 416 S CB 0.218 63.418 63.200 0.001 0.000 0.806 416 S HN 0.343 nan 8.310 nan 0.000 0.496 417 G N 1.953 110.692 108.800 -0.101 0.000 2.408 417 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.217 417 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.217 417 G C 1.243 176.120 174.900 -0.037 0.000 1.150 417 G CA 0.844 45.888 45.100 -0.094 0.000 0.776 417 G HN 0.786 nan 8.290 nan 0.000 0.542 418 Y N -0.456 119.812 120.300 -0.054 0.000 2.616 418 Y HA 0.133 4.682 4.550 -0.001 0.000 0.296 418 Y C 1.788 177.810 175.900 0.203 0.000 1.154 418 Y CA -0.309 57.840 58.100 0.082 0.000 1.325 418 Y CB -0.356 38.243 38.460 0.232 0.000 1.007 418 Y HN 0.176 nan 8.280 nan 0.000 0.542 419 Y N 0.616 120.710 120.300 -0.342 0.000 2.574 419 Y HA -0.016 4.533 4.550 -0.001 0.000 0.294 419 Y C 1.721 177.566 175.900 -0.091 0.000 1.142 419 Y CA 0.625 58.542 58.100 -0.305 0.000 1.314 419 Y CB -0.654 37.667 38.460 -0.230 0.000 0.991 419 Y HN 0.306 nan 8.280 nan 0.000 0.555 420 T N -2.748 111.870 114.554 0.107 0.000 2.980 420 T HA 0.076 4.426 4.350 -0.001 0.000 0.252 420 T C 0.713 175.494 174.700 0.135 0.000 0.962 420 T CA -0.070 62.093 62.100 0.104 0.000 0.932 420 T CB 0.015 68.914 68.868 0.052 0.000 1.188 420 T HN -0.072 nan 8.240 nan 0.000 0.500 421 S N 2.554 118.331 115.700 0.128 0.000 2.573 421 S HA 0.166 4.636 4.470 -0.001 0.000 0.297 421 S C 0.398 175.128 174.600 0.217 0.000 1.280 421 S CA 0.017 58.305 58.200 0.146 0.000 1.061 421 S CB 0.065 63.334 63.200 0.117 0.000 0.812 421 S HN 0.401 nan 8.310 nan 0.000 0.500 422 R N 1.096 121.741 120.500 0.242 0.000 3.146 422 R HA -0.125 4.215 4.340 -0.001 0.000 0.250 422 R C -1.869 174.668 176.300 0.395 0.000 0.912 422 R CA 0.686 57.004 56.100 0.363 0.000 0.633 422 R CB -1.806 28.758 30.300 0.441 0.000 1.180 422 R HN 0.522 nan 8.270 nan 0.000 0.464 423 P HA -0.241 nan 4.420 nan 0.000 0.222 423 P C 1.112 178.610 177.300 0.330 0.000 1.147 423 P CA 1.068 64.374 63.100 0.344 0.000 0.790 423 P CB -0.011 31.935 31.700 0.410 0.000 0.780 424 Y N 1.540 121.915 120.300 0.124 0.000 2.128 424 Y HA -0.232 4.318 4.550 -0.001 0.000 0.284 424 Y C 2.641 178.512 175.900 -0.049 0.000 1.154 424 Y CA 1.881 59.974 58.100 -0.012 0.000 1.149 424 Y CB -0.822 37.501 38.460 -0.228 0.000 0.976 424 Y HN 0.061 nan 8.280 nan 0.000 0.505 425 H N -0.418 118.901 119.070 0.415 0.000 2.470 425 H HA -0.027 4.528 4.556 -0.001 0.000 0.289 425 H C 1.997 177.479 175.328 0.258 0.000 1.033 425 H CA 1.204 57.416 56.048 0.272 0.000 1.331 425 H CB -0.013 29.976 29.762 0.378 0.000 1.414 425 H HN 0.399 nan 8.280 nan 0.000 0.545 426 K N 0.718 121.330 120.400 0.354 0.000 2.057 426 K HA -0.147 4.172 4.320 -0.001 0.000 0.207 426 K C 2.428 179.090 176.600 0.103 0.000 1.049 426 K CA 1.044 57.484 56.287 0.255 0.000 0.931 426 K CB 0.118 32.742 32.500 0.207 0.000 0.714 426 K HN -0.018 nan 8.250 nan 0.000 0.440 427 R N 1.350 121.882 120.500 0.054 0.000 2.092 427 R HA -0.002 4.337 4.340 -0.001 0.000 0.231 427 R C 2.039 178.136 176.300 -0.338 0.000 1.119 427 R CA 1.396 57.469 56.100 -0.044 0.000 0.970 427 R CB -0.403 29.956 30.300 0.098 0.000 0.864 427 R HN 0.157 nan 8.270 nan 0.000 0.440 428 M N 0.241 119.510 119.600 -0.552 0.000 2.149 428 M HA -0.199 4.281 4.480 -0.001 0.000 0.261 428 M C 1.440 177.433 176.300 -0.511 0.000 1.064 428 M CA 2.411 57.124 55.300 -0.978 0.000 1.102 428 M CB -0.311 31.885 32.600 -0.672 0.000 1.369 428 M HN 0.277 nan 8.290 nan 0.000 0.408 429 D N -0.306 119.980 120.400 -0.190 0.000 2.133 429 D HA -0.216 4.424 4.640 -0.001 0.000 0.195 429 D C 1.888 178.130 176.300 -0.096 0.000 0.997 429 D CA 1.423 55.409 54.000 -0.025 0.000 0.840 429 D CB 0.132 41.059 40.800 0.212 0.000 0.947 429 D HN 0.218 nan 8.370 nan 0.000 0.452 430 R N 0.046 120.471 120.500 -0.124 0.000 2.090 430 R HA -0.001 4.339 4.340 -0.001 0.000 0.228 430 R C 2.435 178.642 176.300 -0.155 0.000 1.110 430 R CA 0.419 56.444 56.100 -0.125 0.000 0.973 430 R CB -0.973 29.268 30.300 -0.098 0.000 0.869 430 R HN 0.255 nan 8.270 nan 0.000 0.440 431 V N 1.586 121.347 119.914 -0.255 0.000 2.261 431 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 431 V C 2.381 178.448 176.094 -0.045 0.000 1.047 431 V CA 1.597 63.775 62.300 -0.204 0.000 1.015 431 V CB -0.599 30.879 31.823 -0.574 0.000 0.642 431 V HN 0.138 nan 8.190 nan 0.000 0.446 432 L N -0.420 120.697 121.223 -0.176 0.000 2.083 432 L HA -0.163 4.177 4.340 -0.001 0.000 0.209 432 L C 2.319 179.156 176.870 -0.056 0.000 1.083 432 L CA 2.061 56.846 54.840 -0.090 0.000 0.752 432 L CB -0.685 41.282 42.059 -0.154 0.000 0.899 432 L HN 0.339 nan 8.230 nan 0.000 0.433 433 M N -1.386 118.160 119.600 -0.089 0.000 2.088 433 M HA -0.323 4.157 4.480 -0.001 0.000 0.256 433 M C 2.449 178.677 176.300 -0.120 0.000 1.071 433 M CA 2.367 57.596 55.300 -0.119 0.000 1.097 433 M CB -0.643 31.855 32.600 -0.171 0.000 1.315 433 M HN 0.525 nan 8.290 nan 0.000 0.406 434 H N -0.967 118.000 119.070 -0.172 0.000 2.357 434 H HA -0.166 4.390 4.556 -0.001 0.000 0.301 434 H C 1.281 176.506 175.328 -0.172 0.000 1.082 434 H CA 1.936 57.862 56.048 -0.204 0.000 1.342 434 H CB -0.220 29.373 29.762 -0.281 0.000 1.389 434 H HN 0.524 nan 8.280 nan 0.000 0.511 435 Y N -0.068 120.088 120.300 -0.240 0.000 2.583 435 Y HA -0.042 4.507 4.550 -0.001 0.000 0.293 435 Y C 2.512 178.296 175.900 -0.193 0.000 1.157 435 Y CA 0.281 58.243 58.100 -0.230 0.000 1.315 435 Y CB 0.287 38.677 38.460 -0.117 0.000 1.021 435 Y HN 0.040 nan 8.280 nan 0.000 0.536 436 V N -0.241 119.640 119.914 -0.056 0.000 2.379 436 V HA -0.202 3.918 4.120 -0.001 0.000 0.243 436 V C 2.492 178.515 176.094 -0.117 0.000 1.035 436 V CA 1.695 63.946 62.300 -0.082 0.000 1.035 436 V CB -0.371 31.398 31.823 -0.090 0.000 0.673 436 V HN 0.275 nan 8.190 nan 0.000 0.457 437 R N 0.735 121.134 120.500 -0.167 0.000 2.083 437 R HA -0.196 4.143 4.340 -0.001 0.000 0.237 437 R C 2.217 178.442 176.300 -0.125 0.000 1.137 437 R CA 2.009 58.019 56.100 -0.149 0.000 0.951 437 R CB -0.493 29.709 30.300 -0.163 0.000 0.851 437 R HN 0.453 nan 8.270 nan 0.000 0.434 438 A N 0.581 123.267 122.820 -0.222 0.000 1.930 438 A HA -0.037 4.282 4.320 -0.001 0.000 0.217 438 A C 2.361 179.928 177.584 -0.028 0.000 1.175 438 A CA 1.538 53.530 52.037 -0.075 0.000 0.627 438 A CB -0.684 18.210 19.000 -0.177 0.000 0.815 438 A HN 0.579 nan 8.150 nan 0.000 0.443 439 A N -0.090 122.707 122.820 -0.038 0.000 1.898 439 A HA -0.153 4.166 4.320 -0.001 0.000 0.216 439 A C 1.935 179.482 177.584 -0.061 0.000 1.181 439 A CA 1.544 53.563 52.037 -0.030 0.000 0.620 439 A CB -0.497 18.487 19.000 -0.028 0.000 0.819 439 A HN 0.614 nan 8.150 nan 0.000 0.442 440 E N -0.990 119.166 120.200 -0.074 0.000 2.106 440 E HA -0.182 4.168 4.350 -0.001 0.000 0.192 440 E C 2.050 178.588 176.600 -0.102 0.000 0.984 440 E CA 1.280 57.624 56.400 -0.093 0.000 0.806 440 E CB -0.245 29.399 29.700 -0.094 0.000 0.750 440 E HN 0.745 nan 8.360 nan 0.000 0.458 441 M N 0.706 120.268 119.600 -0.063 0.000 2.123 441 M HA -0.131 4.349 4.480 -0.001 0.000 0.263 441 M C 2.132 178.429 176.300 -0.006 0.000 1.069 441 M CA 1.287 56.551 55.300 -0.060 0.000 1.133 441 M CB 0.069 32.723 32.600 0.090 0.000 1.356 441 M HN 0.074 nan 8.290 nan 0.000 0.415 442 L N 0.049 121.321 121.223 0.081 0.000 2.083 442 L HA -0.187 4.152 4.340 -0.001 0.000 0.209 442 L C 2.565 179.580 176.870 0.241 0.000 1.083 442 L CA 1.672 56.615 54.840 0.172 0.000 0.752 442 L CB -0.535 41.495 42.059 -0.048 0.000 0.899 442 L HN 0.498 nan 8.230 nan 0.000 0.433 443 S N -1.055 114.711 115.700 0.109 0.000 2.528 443 S HA 0.097 4.567 4.470 -0.001 0.000 0.219 443 S C 1.952 176.700 174.600 0.247 0.000 0.985 443 S CA 0.345 58.675 58.200 0.217 0.000 0.914 443 S CB 0.067 63.199 63.200 -0.115 0.000 0.776 443 S HN 0.286 nan 8.310 nan 0.000 0.526 444 A N 0.945 123.744 122.820 -0.034 0.000 2.015 444 A HA 0.093 4.412 4.320 -0.001 0.000 0.219 444 A C 1.676 179.142 177.584 -0.197 0.000 1.163 444 A CA 0.730 52.653 52.037 -0.191 0.000 0.646 444 A CB -1.153 17.588 19.000 -0.431 0.000 0.806 444 A HN 0.755 nan 8.150 nan 0.000 0.448 445 W N -0.660 120.652 121.300 0.020 0.000 2.392 445 W HA -0.016 4.644 4.660 -0.001 0.000 0.279 445 W C 0.926 177.242 176.519 -0.338 0.000 1.225 445 W CA 1.018 58.280 57.345 -0.139 0.000 1.233 445 W CB -0.157 29.181 29.460 -0.203 0.000 1.122 445 W HN 0.395 nan 8.180 nan 0.000 0.561 446 H N -2.472 116.667 119.070 0.115 0.000 2.771 446 H HA 0.383 4.939 4.556 -0.001 0.000 0.367 446 H C -0.469 174.780 175.328 -0.132 0.000 1.172 446 H CA -0.937 55.030 56.048 -0.136 0.000 1.186 446 H CB 1.741 31.190 29.762 -0.522 0.000 1.790 446 H HN -0.442 nan 8.280 nan 0.000 0.556 447 S N 0.672 116.340 115.700 -0.053 0.000 2.508 447 S HA 0.346 4.815 4.470 -0.001 0.000 0.284 447 S C -1.417 173.088 174.600 -0.159 0.000 1.192 447 S CA -0.656 57.536 58.200 -0.013 0.000 1.070 447 S CB 0.220 63.414 63.200 -0.010 0.000 1.004 447 S HN 0.403 nan 8.310 nan 0.000 0.493 448 W N 2.236 123.537 121.300 0.001 0.000 2.666 448 W HA 0.365 5.025 4.660 -0.001 0.000 0.334 448 W C -0.093 176.386 176.519 -0.068 0.000 1.051 448 W CA -0.808 56.510 57.345 -0.044 0.000 1.224 448 W CB 0.700 30.097 29.460 -0.105 0.000 1.405 448 W HN 0.639 nan 8.180 nan 0.000 0.513 449 D N 0.705 121.180 120.400 0.125 0.000 2.423 449 D HA 0.172 4.812 4.640 -0.001 0.000 0.238 449 D C 1.640 177.949 176.300 0.015 0.000 1.142 449 D CA 1.050 55.093 54.000 0.072 0.000 0.884 449 D CB 1.268 42.139 40.800 0.118 0.000 1.199 449 D HN 0.550 nan 8.370 nan 0.000 0.438 450 G N 2.542 111.358 108.800 0.026 0.000 2.462 450 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.220 450 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.220 450 G C 1.301 176.187 174.900 -0.023 0.000 1.121 450 G CA 0.428 45.531 45.100 0.004 0.000 0.758 450 G HN 0.432 nan 8.290 nan 0.000 0.559 451 M N 1.136 120.738 119.600 0.002 0.000 2.446 451 M HA 0.172 4.652 4.480 -0.001 0.000 0.263 451 M C 2.678 178.932 176.300 -0.077 0.000 1.066 451 M CA 0.237 55.564 55.300 0.045 0.000 1.087 451 M CB -0.824 31.894 32.600 0.197 0.000 1.406 451 M HN 0.293 nan 8.290 nan 0.000 0.459 452 A N -0.645 121.902 122.820 -0.454 0.000 2.167 452 A HA -0.009 4.310 4.320 -0.001 0.000 0.214 452 A C 1.175 178.569 177.584 -0.316 0.000 1.151 452 A CA 0.314 51.865 52.037 -0.811 0.000 0.735 452 A CB -0.426 17.899 19.000 -1.124 0.000 0.802 452 A HN 0.570 nan 8.150 nan 0.000 0.467 453 R N -1.581 118.810 120.500 -0.182 0.000 3.627 453 R HA -0.190 4.149 4.340 -0.001 0.000 0.281 453 R C 0.683 176.883 176.300 -0.167 0.000 1.140 453 R CA 0.725 56.753 56.100 -0.119 0.000 0.761 453 R CB -2.008 28.254 30.300 -0.063 0.000 1.181 453 R HN 0.479 nan 8.270 nan 0.000 0.472 454 I N 0.486 120.907 120.570 -0.248 0.000 2.163 454 I HA -0.192 3.978 4.170 -0.001 0.000 0.240 454 I C 2.139 178.137 176.117 -0.198 0.000 1.081 454 I CA 1.673 62.778 61.300 -0.325 0.000 1.353 454 I CB -0.701 36.961 38.000 -0.562 0.000 1.054 454 I HN 0.199 nan 8.210 nan 0.000 0.407 455 E N 0.727 120.848 120.200 -0.131 0.000 2.077 455 E HA -0.241 4.108 4.350 -0.001 0.000 0.193 455 E C 2.099 178.656 176.600 -0.073 0.000 0.989 455 E CA 1.279 57.629 56.400 -0.083 0.000 0.800 455 E CB -0.250 29.424 29.700 -0.043 0.000 0.746 455 E HN 0.489 nan 8.360 nan 0.000 0.452 456 E N 0.412 120.571 120.200 -0.067 0.000 2.051 456 E HA -0.252 4.098 4.350 -0.001 0.000 0.192 456 E C 1.913 178.474 176.600 -0.065 0.000 0.991 456 E CA 1.085 57.454 56.400 -0.053 0.000 0.799 456 E CB 0.095 29.770 29.700 -0.043 0.000 0.748 456 E HN -0.025 nan 8.360 nan 0.000 0.449 457 R N 0.256 120.706 120.500 -0.085 0.000 2.092 457 R HA 0.025 4.364 4.340 -0.001 0.000 0.231 457 R C 2.369 178.615 176.300 -0.090 0.000 1.119 457 R CA 0.801 56.851 56.100 -0.084 0.000 0.970 457 R CB -0.422 29.821 30.300 -0.094 0.000 0.864 457 R HN 0.280 nan 8.270 nan 0.000 0.440 458 L N -0.119 121.042 121.223 -0.104 0.000 2.093 458 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 458 L C 2.354 179.164 176.870 -0.100 0.000 1.085 458 L CA 1.445 56.224 54.840 -0.103 0.000 0.755 458 L CB -0.406 41.587 42.059 -0.111 0.000 0.904 458 L HN 0.294 nan 8.230 nan 0.000 0.435 459 E N 0.161 120.307 120.200 -0.090 0.000 2.077 459 E HA -0.301 4.048 4.350 -0.001 0.000 0.193 459 E C 2.212 178.743 176.600 -0.115 0.000 0.989 459 E CA 1.301 57.641 56.400 -0.100 0.000 0.800 459 E CB -0.004 29.659 29.700 -0.062 0.000 0.746 459 E HN 0.414 nan 8.360 nan 0.000 0.452 460 Q N 0.025 119.774 119.800 -0.084 0.000 2.061 460 Q HA -0.220 4.120 4.340 -0.001 0.000 0.204 460 Q C 2.107 178.056 176.000 -0.086 0.000 0.984 460 Q CA 1.679 57.438 55.803 -0.073 0.000 0.846 460 Q CB -0.247 28.460 28.738 -0.051 0.000 0.902 460 Q HN 0.360 nan 8.270 nan 0.000 0.421 461 A N 1.096 123.863 122.820 -0.087 0.000 1.902 461 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 461 A C 2.086 179.606 177.584 -0.107 0.000 1.181 461 A CA 1.542 53.527 52.037 -0.086 0.000 0.623 461 A CB -0.526 18.426 19.000 -0.080 0.000 0.818 461 A HN 0.382 nan 8.150 nan 0.000 0.443 462 R N -0.881 119.537 120.500 -0.136 0.000 2.096 462 R HA -0.072 4.268 4.340 -0.001 0.000 0.235 462 R C 2.414 178.563 176.300 -0.253 0.000 1.127 462 R CA 1.498 57.492 56.100 -0.176 0.000 0.968 462 R CB -0.251 29.932 30.300 -0.195 0.000 0.861 462 R HN 0.493 nan 8.270 nan 0.000 0.440 463 R N 0.226 120.551 120.500 -0.292 0.000 2.115 463 R HA -0.051 4.288 4.340 -0.001 0.000 0.226 463 R C 2.003 178.235 176.300 -0.113 0.000 1.100 463 R CA 0.839 56.707 56.100 -0.388 0.000 0.980 463 R CB 0.074 30.176 30.300 -0.329 0.000 0.875 463 R HN 0.185 nan 8.270 nan 0.000 0.445 464 E N 0.730 120.896 120.200 -0.057 0.000 2.107 464 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 464 E C 1.950 178.576 176.600 0.042 0.000 0.982 464 E CA 0.678 57.088 56.400 0.016 0.000 0.809 464 E CB -0.162 29.538 29.700 0.001 0.000 0.756 464 E HN 0.142 nan 8.360 nan 0.000 0.459 465 L N 1.233 122.452 121.223 -0.007 0.000 2.093 465 L HA -0.058 4.282 4.340 -0.001 0.000 0.208 465 L C 2.135 179.047 176.870 0.070 0.000 1.085 465 L CA 1.533 56.389 54.840 0.028 0.000 0.755 465 L CB -0.527 41.515 42.059 -0.028 0.000 0.904 465 L HN -0.105 nan 8.230 nan 0.000 0.435 466 S N -0.439 115.266 115.700 0.008 0.000 2.368 466 S HA -0.160 4.310 4.470 -0.001 0.000 0.225 466 S C 1.831 176.563 174.600 0.221 0.000 1.030 466 S CA 1.468 59.702 58.200 0.056 0.000 0.999 466 S CB -0.543 62.578 63.200 -0.131 0.000 0.844 466 S HN 0.469 nan 8.310 nan 0.000 0.459 467 L N 0.674 122.066 121.223 0.283 0.000 2.079 467 L HA -0.010 4.330 4.340 -0.001 0.000 0.210 467 L C 1.818 178.793 176.870 0.175 0.000 1.081 467 L CA 1.619 56.622 54.840 0.271 0.000 0.752 467 L CB -0.585 41.600 42.059 0.210 0.000 0.896 467 L HN 0.284 nan 8.230 nan 0.000 0.433 468 F N -0.342 119.580 119.950 -0.047 0.000 2.604 468 F HA -0.088 4.439 4.527 -0.001 0.000 0.298 468 F C 2.158 177.881 175.800 -0.128 0.000 1.131 468 F CA 0.744 58.607 58.000 -0.228 0.000 1.457 468 F CB -0.220 38.681 39.000 -0.164 0.000 1.095 468 F HN 0.240 nan 8.300 nan 0.000 0.574 469 Q N -0.318 119.454 119.800 -0.047 0.000 2.437 469 Q HA -0.154 4.186 4.340 -0.001 0.000 0.210 469 Q C 0.774 176.722 176.000 -0.087 0.000 0.972 469 Q CA 0.447 56.197 55.803 -0.089 0.000 0.903 469 Q CB -1.264 27.489 28.738 0.025 0.000 0.967 469 Q HN 0.564 nan 8.270 nan 0.000 0.486 470 H N 1.889 120.857 119.070 -0.169 0.000 3.073 470 H HA -0.112 4.444 4.556 -0.001 0.000 0.340 470 H C 1.098 176.286 175.328 -0.233 0.000 1.054 470 H CA 0.479 56.425 56.048 -0.171 0.000 1.372 470 H CB 0.679 30.357 29.762 -0.141 0.000 1.314 470 H HN 0.341 nan 8.280 nan 0.000 0.603 471 H N 2.824 121.508 119.070 -0.643 0.000 2.563 471 H HA -0.025 4.531 4.556 -0.001 0.000 0.272 471 H C -0.228 174.713 175.328 -0.647 0.000 1.005 471 H CA 0.449 56.083 56.048 -0.690 0.000 1.171 471 H CB 0.274 29.631 29.762 -0.676 0.000 1.351 471 H HN 0.591 nan 8.280 nan 0.000 0.602 472 D N 0.318 120.046 120.400 -1.120 0.000 2.513 472 D HA 0.131 4.771 4.640 -0.001 0.000 0.222 472 D C 1.535 177.813 176.300 -0.036 0.000 1.210 472 D CA 0.247 54.104 54.000 -0.240 0.000 0.825 472 D CB 0.920 41.781 40.800 0.101 0.000 1.037 472 D HN 0.524 nan 8.370 nan 0.000 0.506 473 G N 1.259 109.838 108.800 -0.367 0.000 2.600 473 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.225 473 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.225 473 G C 1.343 175.638 174.900 -1.010 0.000 1.623 473 G CA -0.189 44.459 45.100 -0.753 0.000 0.903 473 G HN 0.201 nan 8.290 nan 0.000 0.574 474 I N 2.019 121.719 120.570 -1.449 0.000 2.530 474 I HA -0.179 3.991 4.170 -0.001 0.000 0.257 474 I C 2.866 178.874 176.117 -0.182 0.000 1.179 474 I CA 2.061 62.792 61.300 -0.948 0.000 1.440 474 I CB -0.056 37.589 38.000 -0.592 0.000 1.087 474 I HN 0.374 nan 8.210 nan 0.000 0.440 475 T N -1.587 112.920 114.554 -0.079 0.000 3.007 475 T HA 0.015 4.365 4.350 -0.001 0.000 0.270 475 T C 1.539 176.380 174.700 0.235 0.000 1.107 475 T CA 0.632 62.880 62.100 0.247 0.000 1.118 475 T CB -0.576 68.462 68.868 0.282 0.000 0.889 475 T HN 0.646 nan 8.240 nan 0.000 0.506 476 G N 1.465 110.361 108.800 0.160 0.000 2.198 476 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.257 476 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.257 476 G C 0.522 175.497 174.900 0.126 0.000 1.042 476 G CA 0.622 45.842 45.100 0.200 0.000 0.791 476 G HN 1.163 nan 8.290 nan 0.000 0.502 477 T N -3.542 111.081 114.554 0.115 0.000 3.228 477 T HA 0.744 5.093 4.350 -0.001 0.000 0.278 477 T C 0.842 175.738 174.700 0.326 0.000 1.014 477 T CA 1.026 63.132 62.100 0.009 0.000 0.904 477 T CB 0.990 69.669 68.868 -0.315 0.000 1.110 477 T HN 1.574 nan 8.240 nan 0.000 0.541 478 A N 1.392 124.426 122.820 0.357 0.000 2.269 478 A HA 0.713 5.033 4.320 -0.001 0.000 0.327 478 A C 0.134 177.836 177.584 0.195 0.000 1.112 478 A CA -0.986 51.305 52.037 0.422 0.000 0.865 478 A CB 0.889 20.175 19.000 0.478 0.000 1.227 478 A HN 0.422 nan 8.150 nan 0.000 0.498 479 K N -0.165 120.285 120.400 0.083 0.000 2.276 479 K HA 0.165 4.484 4.320 -0.001 0.000 0.259 479 K C 1.052 177.670 176.600 0.030 0.000 1.001 479 K CA 0.341 56.649 56.287 0.034 0.000 0.927 479 K CB 0.263 32.773 32.500 0.016 0.000 0.969 479 K HN 0.711 nan 8.250 nan 0.000 0.490 480 T N 1.304 115.901 114.554 0.072 0.000 2.653 480 T HA -0.212 4.137 4.350 -0.001 0.000 0.268 480 T C 1.706 176.444 174.700 0.064 0.000 1.035 480 T CA 1.901 64.047 62.100 0.075 0.000 1.154 480 T CB -0.443 68.477 68.868 0.087 0.000 0.862 480 T HN 0.706 nan 8.240 nan 0.000 0.441 481 H N 0.611 119.681 119.070 -0.001 0.000 2.491 481 H HA 0.096 4.652 4.556 -0.001 0.000 0.290 481 H C 2.013 177.319 175.328 -0.037 0.000 1.050 481 H CA 0.865 56.904 56.048 -0.014 0.000 1.309 481 H CB -0.757 28.992 29.762 -0.022 0.000 1.392 481 H HN 0.279 nan 8.280 nan 0.000 0.554 482 V N 1.119 120.694 119.914 -0.565 0.000 2.407 482 V HA -0.162 3.957 4.120 -0.001 0.000 0.245 482 V C 3.021 178.933 176.094 -0.303 0.000 1.041 482 V CA 1.072 63.066 62.300 -0.509 0.000 1.040 482 V CB -0.419 31.165 31.823 -0.399 0.000 0.671 482 V HN 0.234 nan 8.190 nan 0.000 0.455 483 V N 0.013 119.884 119.914 -0.073 0.000 2.332 483 V HA -0.240 3.879 4.120 -0.001 0.000 0.248 483 V C 2.463 178.534 176.094 -0.039 0.000 1.055 483 V CA 1.951 64.267 62.300 0.027 0.000 1.038 483 V CB -0.505 31.302 31.823 -0.025 0.000 0.651 483 V HN 0.416 nan 8.190 nan 0.000 0.450 484 V N 0.381 120.280 119.914 -0.026 0.000 2.343 484 V HA -0.309 3.811 4.120 -0.001 0.000 0.247 484 V C 2.301 178.406 176.094 0.018 0.000 1.051 484 V CA 2.455 64.768 62.300 0.022 0.000 1.036 484 V CB -0.685 31.164 31.823 0.043 0.000 0.654 484 V HN 0.651 nan 8.190 nan 0.000 0.451 485 D N -1.028 119.342 120.400 -0.051 0.000 2.097 485 D HA -0.208 4.432 4.640 -0.001 0.000 0.195 485 D C 2.003 178.315 176.300 0.021 0.000 0.989 485 D CA 1.540 55.509 54.000 -0.051 0.000 0.827 485 D CB -0.171 40.543 40.800 -0.145 0.000 0.966 485 D HN 0.493 nan 8.370 nan 0.000 0.456 486 Y N 0.953 121.286 120.300 0.055 0.000 2.224 486 Y HA -0.051 4.499 4.550 -0.001 0.000 0.289 486 Y C 2.423 178.284 175.900 -0.064 0.000 1.146 486 Y CA 1.215 59.339 58.100 0.041 0.000 1.182 486 Y CB -0.747 37.804 38.460 0.152 0.000 0.983 486 Y HN 0.155 nan 8.280 nan 0.000 0.524 487 E N 0.111 120.393 120.200 0.138 0.000 2.051 487 E HA -0.257 4.092 4.350 -0.001 0.000 0.192 487 E C 2.005 178.676 176.600 0.118 0.000 0.991 487 E CA 1.411 57.911 56.400 0.167 0.000 0.799 487 E CB -0.045 29.832 29.700 0.295 0.000 0.748 487 E HN 0.569 nan 8.360 nan 0.000 0.449 488 Q N -0.057 119.801 119.800 0.096 0.000 2.084 488 Q HA -0.164 4.175 4.340 -0.001 0.000 0.202 488 Q C 2.339 178.371 176.000 0.053 0.000 0.978 488 Q CA 1.425 57.271 55.803 0.070 0.000 0.844 488 Q CB -0.076 28.695 28.738 0.056 0.000 0.898 488 Q HN 0.195 nan 8.270 nan 0.000 0.426 489 R N 0.016 120.552 120.500 0.060 0.000 2.081 489 R HA -0.076 4.264 4.340 -0.001 0.000 0.235 489 R C 2.263 178.572 176.300 0.015 0.000 1.131 489 R CA 1.455 57.583 56.100 0.046 0.000 0.960 489 R CB -0.163 30.188 30.300 0.085 0.000 0.856 489 R HN 0.303 nan 8.270 nan 0.000 0.436 490 M N 0.059 119.656 119.600 -0.005 0.000 2.229 490 M HA -0.151 4.329 4.480 -0.001 0.000 0.264 490 M C 2.221 178.501 176.300 -0.034 0.000 1.063 490 M CA 1.233 56.497 55.300 -0.059 0.000 1.114 490 M CB -0.115 32.393 32.600 -0.155 0.000 1.387 490 M HN 0.078 nan 8.290 nan 0.000 0.420 491 Q N 0.594 120.405 119.800 0.019 0.000 2.084 491 Q HA -0.161 4.179 4.340 -0.001 0.000 0.202 491 Q C 1.874 177.872 176.000 -0.003 0.000 0.978 491 Q CA 1.452 57.275 55.803 0.034 0.000 0.844 491 Q CB -0.238 28.541 28.738 0.069 0.000 0.898 491 Q HN 0.457 nan 8.270 nan 0.000 0.426 492 E N 0.074 120.272 120.200 -0.003 0.000 2.106 492 E HA -0.096 4.253 4.350 -0.001 0.000 0.192 492 E C 1.821 178.400 176.600 -0.036 0.000 0.984 492 E CA 1.006 57.397 56.400 -0.016 0.000 0.806 492 E CB -0.217 29.480 29.700 -0.006 0.000 0.750 492 E HN 0.319 nan 8.360 nan 0.000 0.458 493 A N 1.187 123.982 122.820 -0.043 0.000 1.902 493 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 493 A C 2.394 179.928 177.584 -0.082 0.000 1.181 493 A CA 1.002 53.003 52.037 -0.061 0.000 0.623 493 A CB -0.699 18.262 19.000 -0.064 0.000 0.818 493 A HN 0.179 nan 8.150 nan 0.000 0.443 494 L N -0.626 120.536 121.223 -0.103 0.000 2.046 494 L HA -0.229 4.110 4.340 -0.001 0.000 0.208 494 L C 2.602 179.381 176.870 -0.152 0.000 1.077 494 L CA 1.796 56.535 54.840 -0.169 0.000 0.747 494 L CB -0.426 41.521 42.059 -0.187 0.000 0.896 494 L HN 0.373 nan 8.230 nan 0.000 0.432 495 K N -0.108 120.234 120.400 -0.096 0.000 2.097 495 K HA -0.152 4.167 4.320 -0.001 0.000 0.206 495 K C 2.225 178.787 176.600 -0.063 0.000 1.049 495 K CA 1.332 57.574 56.287 -0.074 0.000 0.933 495 K CB -0.273 32.198 32.500 -0.049 0.000 0.717 495 K HN 0.294 nan 8.250 nan 0.000 0.442 496 A N 1.181 123.965 122.820 -0.061 0.000 1.902 496 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 496 A C 2.443 179.993 177.584 -0.057 0.000 1.181 496 A CA 1.521 53.524 52.037 -0.058 0.000 0.623 496 A CB -0.988 17.976 19.000 -0.060 0.000 0.818 496 A HN 0.407 nan 8.150 nan 0.000 0.443 497 C N -0.805 118.460 119.300 -0.057 0.000 2.432 497 C HA -0.139 4.321 4.460 -0.001 0.000 0.277 497 C C 2.920 177.919 174.990 0.014 0.000 1.249 497 C CA 1.186 60.190 59.018 -0.024 0.000 1.725 497 C CB -1.478 26.259 27.740 -0.004 0.000 2.028 497 C HN 0.693 nan 8.230 nan 0.000 0.477 498 Q N -0.020 119.765 119.800 -0.025 0.000 2.096 498 Q HA -0.281 4.059 4.340 -0.001 0.000 0.204 498 Q C 2.161 178.206 176.000 0.075 0.000 0.982 498 Q CA 1.866 57.686 55.803 0.027 0.000 0.850 498 Q CB -0.396 28.316 28.738 -0.044 0.000 0.901 498 Q HN 0.633 nan 8.270 nan 0.000 0.422 499 M N 0.482 120.094 119.600 0.021 0.000 2.086 499 M HA -0.135 4.344 4.480 -0.001 0.000 0.261 499 M C 1.950 178.263 176.300 0.021 0.000 1.067 499 M CA 1.521 56.837 55.300 0.027 0.000 1.116 499 M CB -0.345 32.249 32.600 -0.010 0.000 1.348 499 M HN 0.011 nan 8.290 nan 0.000 0.407 500 V N 0.272 120.162 119.914 -0.040 0.000 2.295 500 V HA -0.307 3.813 4.120 -0.001 0.000 0.246 500 V C 2.432 178.497 176.094 -0.047 0.000 1.049 500 V CA 2.225 64.449 62.300 -0.125 0.000 1.024 500 V CB -0.710 31.013 31.823 -0.166 0.000 0.648 500 V HN 0.559 nan 8.190 nan 0.000 0.447 501 M N 0.262 119.901 119.600 0.064 0.000 2.080 501 M HA -0.277 4.203 4.480 -0.001 0.000 0.260 501 M C 2.384 178.766 176.300 0.137 0.000 1.068 501 M CA 2.504 57.896 55.300 0.155 0.000 1.109 501 M CB -0.507 32.321 32.600 0.380 0.000 1.342 501 M HN 0.550 nan 8.290 nan 0.000 0.405 502 Q N -0.270 119.684 119.800 0.257 0.000 2.123 502 Q HA -0.126 4.213 4.340 -0.001 0.000 0.199 502 Q C 1.821 178.007 176.000 0.310 0.000 0.966 502 Q CA 1.140 57.106 55.803 0.272 0.000 0.845 502 Q CB -0.611 28.390 28.738 0.439 0.000 0.907 502 Q HN 0.414 nan 8.270 nan 0.000 0.439 503 Q N 0.576 120.548 119.800 0.286 0.000 2.124 503 Q HA -0.062 4.277 4.340 -0.001 0.000 0.202 503 Q C 2.255 178.502 176.000 0.413 0.000 0.977 503 Q CA 1.678 57.726 55.803 0.408 0.000 0.850 503 Q CB -0.180 28.712 28.738 0.255 0.000 0.901 503 Q HN 0.517 nan 8.270 nan 0.000 0.429 504 S N 0.364 116.195 115.700 0.217 0.000 2.355 504 S HA -0.093 4.376 4.470 -0.001 0.000 0.222 504 S C 2.215 176.853 174.600 0.063 0.000 1.031 504 S CA 1.106 59.469 58.200 0.272 0.000 0.993 504 S CB -0.270 63.025 63.200 0.159 0.000 0.859 504 S HN 0.133 nan 8.310 nan 0.000 0.453 505 V N 0.908 120.735 119.914 -0.145 0.000 2.332 505 V HA -0.200 3.920 4.120 -0.001 0.000 0.248 505 V C 2.039 178.100 176.094 -0.056 0.000 1.055 505 V CA 1.890 63.978 62.300 -0.354 0.000 1.038 505 V CB -0.779 30.423 31.823 -1.035 0.000 0.651 505 V HN 0.547 nan 8.190 nan 0.000 0.450 506 Y N 1.245 121.590 120.300 0.075 0.000 2.181 506 Y HA -0.228 4.321 4.550 -0.001 0.000 0.288 506 Y C 2.718 178.697 175.900 0.132 0.000 1.146 506 Y CA 2.147 60.386 58.100 0.231 0.000 1.164 506 Y CB -0.365 38.161 38.460 0.110 0.000 0.982 506 Y HN 0.107 nan 8.280 nan 0.000 0.515 507 R N -0.233 120.159 120.500 -0.180 0.000 2.090 507 R HA -0.070 4.270 4.340 -0.001 0.000 0.228 507 R C 2.115 178.103 176.300 -0.521 0.000 1.110 507 R CA 1.388 57.036 56.100 -0.754 0.000 0.973 507 R CB -0.312 29.536 30.300 -0.754 0.000 0.869 507 R HN 0.437 nan 8.270 nan 0.000 0.440 508 L N 0.276 121.335 121.223 -0.274 0.000 2.291 508 L HA -0.051 4.288 4.340 -0.001 0.000 0.214 508 L C 1.392 178.155 176.870 -0.179 0.000 1.120 508 L CA 0.766 55.417 54.840 -0.314 0.000 0.799 508 L CB 0.123 41.837 42.059 -0.576 0.000 0.925 508 L HN 0.220 nan 8.230 nan 0.000 0.446 509 L N -1.163 120.052 121.223 -0.012 0.000 3.066 509 L HA 0.225 4.564 4.340 -0.001 0.000 0.265 509 L C -0.223 176.739 176.870 0.153 0.000 1.232 509 L CA -0.094 54.832 54.840 0.143 0.000 1.031 509 L CB 0.447 42.739 42.059 0.388 0.000 1.379 509 L HN -0.000 nan 8.230 nan 0.000 0.563 510 T N 0.035 114.599 114.554 0.015 0.000 2.841 510 T HA 0.186 4.536 4.350 -0.001 0.000 0.283 510 T C -0.176 174.473 174.700 -0.085 0.000 1.000 510 T CA -0.584 61.517 62.100 0.002 0.000 0.977 510 T CB 2.427 71.282 68.868 -0.023 0.000 0.979 510 T HN 0.026 nan 8.240 nan 0.000 0.446 511 K N 3.837 124.195 120.400 -0.069 0.000 2.504 511 K HA -0.012 4.308 4.320 -0.001 0.000 0.278 511 K C -1.715 174.863 176.600 -0.036 0.000 1.025 511 K CA -0.988 55.264 56.287 -0.058 0.000 1.093 511 K CB 0.418 32.887 32.500 -0.052 0.000 0.873 511 K HN 0.163 nan 8.250 nan 0.000 0.483 512 P HA -0.220 nan 4.420 nan 0.000 0.216 512 P C 0.761 178.077 177.300 0.027 0.000 1.153 512 P CA 1.617 64.700 63.100 -0.029 0.000 0.858 512 P CB 0.136 31.811 31.700 -0.041 0.000 0.789 513 S N -2.342 113.365 115.700 0.012 0.000 2.607 513 S HA 0.057 4.526 4.470 -0.001 0.000 0.224 513 S C 1.666 176.280 174.600 0.023 0.000 0.969 513 S CA 0.485 58.694 58.200 0.016 0.000 0.927 513 S CB -1.070 62.132 63.200 0.003 0.000 0.772 513 S HN 0.110 nan 8.310 nan 0.000 0.533 514 I N -0.791 119.801 120.570 0.036 0.000 3.616 514 I HA 0.203 4.373 4.170 -0.001 0.000 0.296 514 I C 0.557 176.720 176.117 0.077 0.000 1.226 514 I CA -0.418 60.910 61.300 0.047 0.000 1.394 514 I CB -0.054 37.973 38.000 0.045 0.000 1.171 514 I HN 0.251 nan 8.210 nan 0.000 0.442 515 Y N 2.931 123.187 120.300 -0.074 0.000 2.852 515 Y HA -0.096 4.453 4.550 -0.001 0.000 0.343 515 Y C 0.422 176.294 175.900 -0.046 0.000 1.280 515 Y CA 0.115 58.127 58.100 -0.148 0.000 1.604 515 Y CB 0.294 38.599 38.460 -0.258 0.000 1.216 515 Y HN -0.107 nan 8.280 nan 0.000 0.541 516 S N 8.897 124.383 115.700 -0.357 0.000 2.293 516 S HA 0.358 4.827 4.470 -0.001 0.000 0.154 516 S C -2.814 171.594 174.600 -0.321 0.000 1.602 516 S CA -1.191 56.813 58.200 -0.326 0.000 1.260 516 S CB -0.012 63.123 63.200 -0.108 0.000 1.270 516 S HN 0.670 nan 8.310 nan 0.000 0.416 517 P HA 0.346 nan 4.420 nan 0.000 0.279 517 P C -1.233 175.822 177.300 -0.408 0.000 1.239 517 P CA -0.207 62.665 63.100 -0.379 0.000 0.789 517 P CB 0.923 32.332 31.700 -0.485 0.000 0.933 518 D N 2.360 122.706 120.400 -0.089 0.000 2.441 518 D HA 0.151 4.790 4.640 -0.001 0.000 0.231 518 D C 0.278 176.629 176.300 0.084 0.000 1.073 518 D CA -0.700 53.239 54.000 -0.102 0.000 0.850 518 D CB 0.281 41.056 40.800 -0.042 0.000 1.062 518 D HN 0.041 nan 8.370 nan 0.000 0.524 519 F N 1.684 121.761 119.950 0.211 0.000 2.722 519 F HA -0.064 4.463 4.527 -0.001 0.000 0.298 519 F C 2.370 178.257 175.800 0.144 0.000 1.175 519 F CA 0.557 58.682 58.000 0.209 0.000 1.462 519 F CB -0.420 38.683 39.000 0.172 0.000 1.111 519 F HN 0.350 nan 8.300 nan 0.000 0.592 520 S N -1.989 113.864 115.700 0.254 0.000 2.539 520 S HA 0.133 4.603 4.470 -0.001 0.000 0.221 520 S C 0.306 174.957 174.600 0.085 0.000 0.987 520 S CA -0.432 57.855 58.200 0.145 0.000 0.929 520 S CB -0.619 62.645 63.200 0.106 0.000 0.832 520 S HN 0.088 nan 8.310 nan 0.000 0.492 521 F N 3.021 122.924 119.950 -0.079 0.000 2.375 521 F HA 0.584 5.110 4.527 -0.001 0.000 0.333 521 F C 0.026 175.616 175.800 -0.350 0.000 1.104 521 F CA -0.650 57.173 58.000 -0.296 0.000 1.149 521 F CB 1.451 40.123 39.000 -0.547 0.000 1.190 521 F HN -0.047 nan 8.300 nan 0.000 0.533 522 S N 5.872 120.761 115.700 -1.351 0.000 2.464 522 S HA 0.162 4.631 4.470 -0.001 0.000 0.313 522 S C 0.268 174.165 174.600 -1.171 0.000 1.078 522 S CA -0.339 57.309 58.200 -0.920 0.000 1.096 522 S CB -0.148 62.668 63.200 -0.639 0.000 1.032 522 S HN 0.644 nan 8.310 nan 0.000 0.498 523 Y N 1.583 121.628 120.300 -0.426 0.000 2.337 523 Y HA 0.223 4.773 4.550 -0.001 0.000 0.293 523 Y C 0.325 175.710 175.900 -0.858 0.000 1.123 523 Y CA 0.588 58.359 58.100 -0.550 0.000 1.201 523 Y CB 0.159 38.383 38.460 -0.393 0.000 1.011 523 Y HN 0.495 nan 8.280 nan 0.000 0.545 524 F N -1.196 118.711 119.950 -0.072 0.000 2.588 524 F HA 0.451 4.978 4.527 -0.001 0.000 0.310 524 F C -0.055 175.779 175.800 0.056 0.000 1.082 524 F CA -1.535 56.488 58.000 0.038 0.000 0.929 524 F CB 1.623 40.788 39.000 0.275 0.000 1.254 524 F HN -0.391 nan 8.300 nan 0.000 0.455 525 T N 0.419 115.125 114.554 0.253 0.000 2.855 525 T HA 0.701 5.050 4.350 -0.001 0.000 0.281 525 T C -0.572 174.240 174.700 0.188 0.000 1.007 525 T CA -0.800 61.390 62.100 0.149 0.000 1.009 525 T CB 1.206 70.102 68.868 0.047 0.000 0.983 525 T HN 0.531 nan 8.240 nan 0.000 0.455 526 L N 1.966 123.228 121.223 0.066 0.000 2.417 526 L HA 0.427 4.767 4.340 -0.001 0.000 0.268 526 L C 0.065 176.926 176.870 -0.016 0.000 1.158 526 L CA -0.279 54.518 54.840 -0.072 0.000 0.819 526 L CB 0.834 42.825 42.059 -0.113 0.000 1.112 526 L HN 0.833 nan 8.230 nan 0.000 0.458 527 D N 1.426 121.808 120.400 -0.031 0.000 2.492 527 D HA 0.233 4.872 4.640 -0.001 0.000 0.248 527 D C -1.315 174.926 176.300 -0.099 0.000 1.101 527 D CA -0.395 53.577 54.000 -0.047 0.000 0.840 527 D CB 1.200 41.996 40.800 -0.006 0.000 1.209 527 D HN 0.275 nan 8.370 nan 0.000 0.524 528 D N 2.408 122.761 120.400 -0.079 0.000 2.549 528 D HA 0.192 4.832 4.640 -0.001 0.000 0.251 528 D C 0.089 176.333 176.300 -0.093 0.000 1.153 528 D CA -0.463 53.519 54.000 -0.030 0.000 0.861 528 D CB 1.956 42.833 40.800 0.129 0.000 1.207 528 D HN 0.260 nan 8.370 nan 0.000 0.543 529 S N 2.608 118.228 115.700 -0.133 0.000 2.481 529 S HA 0.007 4.477 4.470 -0.001 0.000 0.231 529 S C 1.371 175.928 174.600 -0.070 0.000 0.996 529 S CA 0.614 58.728 58.200 -0.143 0.000 0.942 529 S CB 0.349 63.456 63.200 -0.154 0.000 0.768 529 S HN 0.494 nan 8.310 nan 0.000 0.520 530 R N -0.660 119.831 120.500 -0.014 0.000 2.535 530 R HA 0.219 4.558 4.340 -0.001 0.000 0.323 530 R C -0.638 175.734 176.300 0.121 0.000 0.979 530 R CA -0.110 56.006 56.100 0.026 0.000 1.120 530 R CB 0.758 31.071 30.300 0.021 0.000 1.306 530 R HN 0.336 nan 8.270 nan 0.000 0.540 531 W N 1.358 122.620 121.300 -0.063 0.000 3.211 531 W HA 0.299 4.959 4.660 -0.001 0.000 0.335 531 W C -2.939 173.543 176.519 -0.061 0.000 1.113 531 W CA -1.993 55.311 57.345 -0.069 0.000 1.235 531 W CB 1.834 31.263 29.460 -0.053 0.000 1.365 531 W HN -0.190 nan 8.180 nan 0.000 0.476 532 P HA 0.099 nan 4.420 nan 0.000 0.226 532 P C 0.367 177.288 177.300 -0.632 0.000 1.153 532 P CA 1.725 63.957 63.100 -1.446 0.000 0.777 532 P CB 0.299 31.417 31.700 -0.970 0.000 0.794 533 G N -1.055 107.548 108.800 -0.328 0.000 2.629 533 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.686 533 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.686 533 G C -0.430 174.404 174.900 -0.110 0.000 1.232 533 G CA -0.548 44.454 45.100 -0.163 0.000 0.803 533 G HN 0.071 nan 8.290 nan 0.000 0.638 534 S N 0.185 115.861 115.700 -0.041 0.000 2.537 534 S HA 0.517 4.987 4.470 -0.001 0.000 0.286 534 S C 1.807 176.402 174.600 -0.008 0.000 1.299 534 S CA 2.012 60.221 58.200 0.015 0.000 1.067 534 S CB 0.218 63.464 63.200 0.076 0.000 0.864 534 S HN 2.683 nan 8.310 nan 0.000 0.494 535 G N 2.853 111.649 108.800 -0.006 0.000 2.199 535 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.254 535 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.254 535 G C 0.606 175.479 174.900 -0.045 0.000 0.982 535 G CA 0.335 45.422 45.100 -0.020 0.000 0.632 535 G HN 0.819 nan 8.290 nan 0.000 0.529 536 V N -0.377 119.492 119.914 -0.075 0.000 2.806 536 V HA 0.367 4.487 4.120 -0.001 0.000 0.239 536 V C 0.893 176.925 176.094 -0.103 0.000 1.113 536 V CA 1.634 63.874 62.300 -0.100 0.000 1.137 536 V CB 0.457 32.184 31.823 -0.159 0.000 0.865 536 V HN 0.419 nan 8.190 nan 0.000 0.482 537 E N 0.229 120.359 120.200 -0.115 0.000 2.335 537 E HA 0.217 4.567 4.350 -0.001 0.000 0.280 537 E C -1.655 174.908 176.600 -0.062 0.000 0.918 537 E CA -0.458 55.886 56.400 -0.095 0.000 0.765 537 E CB 2.424 32.040 29.700 -0.140 0.000 1.218 537 E HN 0.117 nan 8.360 nan 0.000 0.425 538 D N 1.883 122.267 120.400 -0.027 0.000 2.441 538 D HA 0.099 4.739 4.640 -0.001 0.000 0.221 538 D C 0.384 176.679 176.300 -0.008 0.000 1.156 538 D CA 0.106 54.109 54.000 0.006 0.000 0.896 538 D CB 0.568 41.381 40.800 0.023 0.000 1.028 538 D HN 0.417 nan 8.370 nan 0.000 0.509 539 S N 2.881 118.566 115.700 -0.025 0.000 2.589 539 S HA 0.194 4.664 4.470 -0.001 0.000 0.235 539 S C 0.894 175.475 174.600 -0.031 0.000 1.051 539 S CA -0.475 57.702 58.200 -0.038 0.000 0.978 539 S CB 0.587 63.743 63.200 -0.073 0.000 0.929 539 S HN 0.265 nan 8.310 nan 0.000 0.523 540 R N 2.935 123.413 120.500 -0.037 0.000 2.438 540 R HA 0.401 4.740 4.340 -0.001 0.000 0.287 540 R C 0.074 176.389 176.300 0.024 0.000 1.077 540 R CA 0.269 56.328 56.100 -0.068 0.000 1.034 540 R CB 0.664 30.802 30.300 -0.270 0.000 0.993 540 R HN 0.475 nan 8.270 nan 0.000 0.459 541 T N -0.704 113.870 114.554 0.033 0.000 2.889 541 T HA 0.204 4.553 4.350 -0.001 0.000 0.291 541 T C 0.275 175.069 174.700 0.156 0.000 0.995 541 T CA -0.716 61.435 62.100 0.085 0.000 1.092 541 T CB 1.472 70.380 68.868 0.066 0.000 0.954 541 T HN 0.336 nan 8.240 nan 0.000 0.506 542 T N 3.657 118.316 114.554 0.175 0.000 2.845 542 T HA 0.395 4.745 4.350 -0.001 0.000 0.288 542 T C 0.448 175.252 174.700 0.173 0.000 0.980 542 T CA -0.514 61.716 62.100 0.216 0.000 1.071 542 T CB 0.240 69.201 68.868 0.154 0.000 0.941 542 T HN 0.578 nan 8.240 nan 0.000 0.487 543 I N 3.950 124.642 120.570 0.203 0.000 2.379 543 I HA 0.214 4.384 4.170 -0.001 0.000 0.290 543 I C 0.151 176.355 176.117 0.145 0.000 1.063 543 I CA -0.115 61.286 61.300 0.168 0.000 1.351 543 I CB 0.313 38.419 38.000 0.176 0.000 1.410 543 I HN 0.452 nan 8.210 nan 0.000 0.505 544 I N 8.135 128.775 120.570 0.117 0.000 2.301 544 I HA 0.301 4.470 4.170 -0.001 0.000 0.292 544 I C -0.184 175.995 176.117 0.104 0.000 1.046 544 I CA -0.126 61.236 61.300 0.102 0.000 1.282 544 I CB 0.388 38.436 38.000 0.079 0.000 1.409 544 I HN 0.382 nan 8.210 nan 0.000 0.484 545 L N 5.791 127.080 121.223 0.110 0.000 2.323 545 L HA 0.962 5.301 4.340 -0.001 0.000 0.265 545 L C 0.116 177.046 176.870 0.100 0.000 1.012 545 L CA -0.713 54.191 54.840 0.108 0.000 0.820 545 L CB 2.225 44.355 42.059 0.118 0.000 1.334 545 L HN 0.677 nan 8.230 nan 0.000 0.427 546 G N -0.100 108.755 108.800 0.091 0.000 2.473 546 G HA2 0.132 4.091 3.960 -0.001 0.000 0.298 546 G HA3 0.132 4.091 3.960 -0.001 0.000 0.298 546 G C -0.227 174.716 174.900 0.072 0.000 1.575 546 G CA -0.419 44.731 45.100 0.084 0.000 0.846 546 G HN 0.713 nan 8.290 nan 0.000 0.585 547 E N -0.061 120.179 120.200 0.067 0.000 2.204 547 E HA -0.119 4.231 4.350 -0.001 0.000 0.195 547 E C 0.454 177.082 176.600 0.047 0.000 0.990 547 E CA 1.321 57.753 56.400 0.055 0.000 0.821 547 E CB 0.153 29.882 29.700 0.047 0.000 0.750 547 E HN 0.401 nan 8.360 nan 0.000 0.477 548 D N -0.127 120.302 120.400 0.047 0.000 2.463 548 D HA 0.151 4.790 4.640 -0.001 0.000 0.224 548 D C 0.942 177.268 176.300 0.043 0.000 1.174 548 D CA 0.071 54.095 54.000 0.041 0.000 0.829 548 D CB 0.940 41.762 40.800 0.036 0.000 0.993 548 D HN 0.340 nan 8.370 nan 0.000 0.497 549 I N -1.001 119.599 120.570 0.051 0.000 4.578 549 I HA 0.118 4.287 4.170 -0.001 0.000 0.296 549 I C -1.529 174.625 176.117 0.062 0.000 1.136 549 I CA 0.072 61.403 61.300 0.053 0.000 1.344 549 I CB 1.191 39.222 38.000 0.053 0.000 1.712 549 I HN -0.152 nan 8.210 nan 0.000 0.460 550 L N 2.220 123.486 121.223 0.071 0.000 2.795 550 L HA 0.485 4.825 4.340 -0.001 0.000 0.260 550 L C -2.554 174.370 176.870 0.089 0.000 0.935 550 L CA -0.778 54.113 54.840 0.084 0.000 0.985 550 L CB 1.815 43.931 42.059 0.094 0.000 1.433 550 L HN -0.159 nan 8.230 nan 0.000 0.447 551 P HA 0.098 nan 4.420 nan 0.000 0.230 551 P C -0.202 177.155 177.300 0.097 0.000 1.168 551 P CA 0.702 63.853 63.100 0.086 0.000 0.793 551 P CB 0.473 32.217 31.700 0.072 0.000 0.851 552 S N -1.923 113.846 115.700 0.115 0.000 2.625 552 S HA 0.734 5.203 4.470 -0.001 0.000 0.271 552 S C -1.290 173.418 174.600 0.180 0.000 1.161 552 S CA -0.698 57.578 58.200 0.127 0.000 0.820 552 S CB 2.476 65.743 63.200 0.112 0.000 1.137 552 S HN -0.119 nan 8.310 nan 0.000 0.470 553 K N 0.535 121.050 120.400 0.192 0.000 2.535 553 K HA 0.409 4.729 4.320 -0.001 0.000 0.251 553 K C -1.771 175.007 176.600 0.297 0.000 0.942 553 K CA -0.253 56.194 56.287 0.268 0.000 0.798 553 K CB 1.110 33.724 32.500 0.190 0.000 1.267 553 K HN 0.869 nan 8.250 nan 0.000 0.434 554 H N 2.125 121.355 119.070 0.267 0.000 2.548 554 H HA 0.451 5.007 4.556 -0.001 0.000 0.331 554 H C -0.183 175.383 175.328 0.397 0.000 1.093 554 H CA -0.512 55.740 56.048 0.340 0.000 1.367 554 H CB 1.373 31.432 29.762 0.494 0.000 1.455 554 H HN 0.455 nan 8.280 nan 0.000 0.519 555 V N 0.936 121.112 119.914 0.438 0.000 2.914 555 V HA 0.649 4.768 4.120 -0.001 0.000 0.314 555 V C -0.527 175.903 176.094 0.560 0.000 1.084 555 V CA -0.799 61.748 62.300 0.412 0.000 0.963 555 V CB 1.936 33.742 31.823 -0.029 0.000 1.025 555 V HN 0.412 nan 8.190 nan 0.000 0.432 556 V N 4.145 124.413 119.914 0.590 0.000 2.709 556 V HA 0.626 4.745 4.120 -0.001 0.000 0.308 556 V C -0.464 175.983 176.094 0.590 0.000 1.062 556 V CA -0.390 62.221 62.300 0.519 0.000 0.901 556 V CB 1.886 33.864 31.823 0.258 0.000 1.003 556 V HN 0.948 nan 8.190 nan 0.000 0.425 557 M N 4.142 124.058 119.600 0.527 0.000 2.336 557 M HA 0.484 4.964 4.480 -0.001 0.000 0.342 557 M C -0.483 176.082 176.300 0.442 0.000 1.128 557 M CA -0.217 55.363 55.300 0.468 0.000 1.016 557 M CB 1.126 33.944 32.600 0.363 0.000 1.665 557 M HN 0.756 nan 8.290 nan 0.000 0.445 558 H N 2.013 121.295 119.070 0.354 0.000 2.492 558 H HA 0.479 5.035 4.556 -0.001 0.000 0.345 558 H C -1.325 174.117 175.328 0.189 0.000 1.136 558 H CA -0.603 55.613 56.048 0.280 0.000 1.202 558 H CB 1.188 31.180 29.762 0.383 0.000 1.524 558 H HN 0.658 nan 8.280 nan 0.000 0.506 559 N N 3.124 121.593 118.700 -0.385 0.000 2.564 559 N HA 0.036 4.776 4.740 -0.001 0.000 0.248 559 N C 0.349 175.517 175.510 -0.570 0.000 0.986 559 N CA -0.301 52.524 53.050 -0.375 0.000 0.921 559 N CB 1.555 39.931 38.487 -0.185 0.000 1.136 559 N HN 0.635 nan 8.380 nan 0.000 0.509 560 T N 2.918 117.171 114.554 -0.500 0.000 3.035 560 T HA 0.148 4.498 4.350 -0.001 0.000 0.268 560 T C 0.707 175.363 174.700 -0.074 0.000 1.109 560 T CA 0.521 62.504 62.100 -0.195 0.000 1.119 560 T CB -0.237 68.647 68.868 0.027 0.000 0.900 560 T HN 0.418 nan 8.240 nan 0.000 0.503 561 L N 2.711 123.840 121.223 -0.155 0.000 2.417 561 L HA 0.304 4.644 4.340 -0.001 0.000 0.268 561 L C -1.553 175.190 176.870 -0.212 0.000 1.158 561 L CA -1.884 52.841 54.840 -0.191 0.000 0.819 561 L CB 0.630 42.441 42.059 -0.413 0.000 1.112 561 L HN -0.037 nan 8.230 nan 0.000 0.458 562 P HA 0.041 nan 4.420 nan 0.000 0.243 562 P C -0.929 176.400 177.300 0.048 0.000 1.668 562 P CA 0.364 63.464 63.100 -0.001 0.000 0.898 562 P CB -0.336 31.417 31.700 0.087 0.000 1.637 563 H N -3.271 115.811 119.070 0.020 0.000 3.012 563 H HA 0.237 4.792 4.556 -0.001 0.000 0.367 563 H C -1.023 174.323 175.328 0.030 0.000 1.211 563 H CA -1.065 55.014 56.048 0.052 0.000 1.139 563 H CB -0.040 29.780 29.762 0.097 0.000 1.838 563 H HN -0.135 nan 8.280 nan 0.000 0.550 564 W N 1.729 123.135 121.300 0.177 0.000 2.231 564 W HA 0.231 4.890 4.660 -0.001 0.000 0.341 564 W C 0.893 177.511 176.519 0.165 0.000 1.298 564 W CA 0.466 57.882 57.345 0.117 0.000 1.266 564 W CB 0.454 29.974 29.460 0.100 0.000 1.172 564 W HN 0.523 nan 8.180 nan 0.000 0.568 565 R N 2.254 122.946 120.500 0.319 0.000 2.604 565 R HA 0.292 4.632 4.340 -0.001 0.000 0.281 565 R C -1.075 175.351 176.300 0.210 0.000 1.020 565 R CA -0.648 55.595 56.100 0.237 0.000 0.899 565 R CB 1.395 31.752 30.300 0.095 0.000 1.205 565 R HN 0.504 nan 8.270 nan 0.000 0.450 566 E N 2.459 122.763 120.200 0.173 0.000 2.191 566 E HA 0.271 4.621 4.350 -0.001 0.000 0.274 566 E C -1.243 175.402 176.600 0.075 0.000 0.948 566 E CA -0.821 55.659 56.400 0.134 0.000 0.802 566 E CB 2.433 32.208 29.700 0.124 0.000 1.137 566 E HN 0.406 nan 8.360 nan 0.000 0.397 567 Q N 2.796 122.617 119.800 0.035 0.000 2.352 567 Q HA 0.239 4.579 4.340 -0.001 0.000 0.270 567 Q C -1.539 174.418 176.000 -0.072 0.000 1.006 567 Q CA -0.573 55.221 55.803 -0.015 0.000 0.880 567 Q CB 1.418 30.136 28.738 -0.034 0.000 1.392 567 Q HN 0.550 nan 8.270 nan 0.000 0.401 568 L N 3.305 124.481 121.223 -0.078 0.000 2.453 568 L HA 0.345 4.684 4.340 -0.001 0.000 0.272 568 L C 0.248 176.983 176.870 -0.225 0.000 1.182 568 L CA -0.292 54.465 54.840 -0.137 0.000 0.858 568 L CB 0.565 42.579 42.059 -0.075 0.000 1.120 568 L HN 0.483 nan 8.230 nan 0.000 0.474 569 V N -0.540 119.138 119.914 -0.394 0.000 2.914 569 V HA 0.718 4.837 4.120 -0.001 0.000 0.314 569 V C -0.925 174.904 176.094 -0.441 0.000 1.084 569 V CA -0.866 61.161 62.300 -0.455 0.000 0.963 569 V CB 2.186 33.687 31.823 -0.537 0.000 1.025 569 V HN 0.798 nan 8.190 nan 0.000 0.432 570 D N 1.345 121.483 120.400 -0.436 0.000 2.601 570 D HA 0.647 5.287 4.640 -0.001 0.000 0.230 570 D C -1.389 174.621 176.300 -0.483 0.000 1.106 570 D CA -0.407 53.446 54.000 -0.245 0.000 0.873 570 D CB 2.415 43.164 40.800 -0.085 0.000 1.515 570 D HN 0.447 nan 8.370 nan 0.000 0.468 571 F N -0.221 119.789 119.950 0.100 0.000 2.599 571 F HA 0.346 4.873 4.527 -0.001 0.000 0.311 571 F C -0.618 175.337 175.800 0.258 0.000 1.076 571 F CA -1.025 57.046 58.000 0.119 0.000 0.937 571 F CB 1.579 40.690 39.000 0.186 0.000 1.282 571 F HN 0.145 nan 8.300 nan 0.000 0.460 572 Y N 2.120 122.570 120.300 0.250 0.000 2.304 572 Y HA 0.572 5.122 4.550 -0.001 0.000 0.328 572 Y C 0.182 176.201 175.900 0.199 0.000 1.123 572 Y CA -1.481 56.718 58.100 0.164 0.000 1.218 572 Y CB 0.965 39.475 38.460 0.083 0.000 1.207 572 Y HN 0.343 nan 8.280 nan 0.000 0.495 573 V N -0.414 119.696 119.914 0.327 0.000 2.962 573 V HA 0.552 4.672 4.120 -0.001 0.000 0.313 573 V C 0.340 176.570 176.094 0.228 0.000 1.099 573 V CA -0.793 61.664 62.300 0.261 0.000 0.971 573 V CB 1.693 33.672 31.823 0.260 0.000 1.028 573 V HN 0.669 nan 8.190 nan 0.000 0.430 574 S N 0.257 116.073 115.700 0.194 0.000 2.593 574 S HA 0.270 4.740 4.470 -0.001 0.000 0.217 574 S C 0.634 175.392 174.600 0.264 0.000 0.966 574 S CA 0.474 58.778 58.200 0.174 0.000 0.914 574 S CB -0.291 62.980 63.200 0.119 0.000 0.776 574 S HN 1.494 nan 8.310 nan 0.000 0.523 575 S N 1.189 117.054 115.700 0.275 0.000 2.541 575 S HA 0.567 5.036 4.470 -0.001 0.000 0.271 575 S C -2.657 171.865 174.600 -0.129 0.000 1.133 575 S CA -1.273 56.977 58.200 0.082 0.000 0.876 575 S CB 1.966 65.211 63.200 0.075 0.000 1.105 575 S HN 0.022 nan 8.310 nan 0.000 0.470 576 P HA 0.210 nan 4.420 nan 0.000 0.240 576 P C -0.219 176.919 177.300 -0.270 0.000 1.190 576 P CA 0.249 62.987 63.100 -0.604 0.000 0.781 576 P CB -0.147 30.926 31.700 -1.044 0.000 0.931 577 F N 0.935 120.904 119.950 0.030 0.000 2.467 577 F HA 0.266 4.793 4.527 -0.001 0.000 0.349 577 F C 0.500 176.350 175.800 0.083 0.000 1.182 577 F CA -1.015 57.032 58.000 0.078 0.000 1.279 577 F CB -0.039 38.970 39.000 0.015 0.000 1.626 577 F HN -0.326 nan 8.300 nan 0.000 0.596 578 V N 0.971 121.020 119.914 0.225 0.000 2.789 578 V HA 0.688 4.808 4.120 -0.001 0.000 0.311 578 V C -0.315 175.849 176.094 0.118 0.000 1.073 578 V CA -0.854 61.539 62.300 0.155 0.000 0.921 578 V CB 2.363 34.270 31.823 0.140 0.000 1.009 578 V HN 0.505 nan 8.190 nan 0.000 0.426 579 S N 2.732 118.482 115.700 0.083 0.000 2.599 579 S HA 0.893 5.363 4.470 -0.001 0.000 0.294 579 S C -1.009 173.579 174.600 -0.019 0.000 1.094 579 S CA -0.803 57.427 58.200 0.050 0.000 0.931 579 S CB 2.071 65.319 63.200 0.079 0.000 1.093 579 S HN 0.450 nan 8.310 nan 0.000 0.488 580 V N 1.838 121.701 119.914 -0.084 0.000 2.581 580 V HA 0.812 4.932 4.120 -0.001 0.000 0.303 580 V C 0.059 176.065 176.094 -0.146 0.000 1.041 580 V CA -0.446 61.727 62.300 -0.211 0.000 0.907 580 V CB 1.622 33.130 31.823 -0.525 0.000 0.994 580 V HN 1.203 nan 8.190 nan 0.000 0.442 581 T N -0.503 113.982 114.554 -0.115 0.000 2.906 581 T HA 0.647 4.997 4.350 -0.001 0.000 0.295 581 T C -0.835 173.838 174.700 -0.046 0.000 1.061 581 T CA -0.905 61.150 62.100 -0.076 0.000 1.000 581 T CB 2.075 70.894 68.868 -0.082 0.000 1.103 581 T HN 0.723 nan 8.240 nan 0.000 0.486 582 D N 0.774 121.125 120.400 -0.081 0.000 2.478 582 D HA 0.229 4.869 4.640 -0.001 0.000 0.269 582 D C 0.666 176.826 176.300 -0.234 0.000 1.232 582 D CA -1.216 52.627 54.000 -0.262 0.000 1.059 582 D CB 0.293 40.951 40.800 -0.236 0.000 1.104 582 D HN 0.337 nan 8.370 nan 0.000 0.566 583 L N -0.652 120.414 121.223 -0.261 0.000 2.660 583 L HA 0.340 4.680 4.340 -0.001 0.000 0.238 583 L C 1.265 178.059 176.870 -0.127 0.000 1.161 583 L CA 0.406 55.139 54.840 -0.179 0.000 0.937 583 L CB -0.908 41.054 42.059 -0.162 0.000 1.122 583 L HN 0.627 nan 8.230 nan 0.000 0.435 584 A N -1.329 121.423 122.820 -0.114 0.000 2.503 584 A HA 0.232 4.552 4.320 -0.001 0.000 0.263 584 A C 1.134 178.674 177.584 -0.074 0.000 1.258 584 A CA -0.063 51.925 52.037 -0.082 0.000 0.936 584 A CB -0.194 18.764 19.000 -0.070 0.000 1.070 584 A HN 0.372 nan 8.150 nan 0.000 0.522 585 N N 0.310 118.959 118.700 -0.086 0.000 2.850 585 N HA -0.127 4.613 4.740 -0.001 0.000 0.249 585 N C -1.012 174.456 175.510 -0.069 0.000 1.060 585 N CA 0.612 53.619 53.050 -0.072 0.000 0.825 585 N CB -1.303 37.152 38.487 -0.054 0.000 1.132 585 N HN 0.588 nan 8.380 nan 0.000 0.564 586 N N 1.767 120.422 118.700 -0.075 0.000 2.488 586 N HA 0.248 4.987 4.740 -0.001 0.000 0.274 586 N C -2.274 173.172 175.510 -0.106 0.000 1.111 586 N CA -0.662 52.340 53.050 -0.080 0.000 0.974 586 N CB 0.695 39.144 38.487 -0.064 0.000 1.089 586 N HN 0.229 nan 8.380 nan 0.000 0.465 587 P HA 0.058 nan 4.420 nan 0.000 0.269 587 P C -0.516 176.650 177.300 -0.223 0.000 1.209 587 P CA -0.100 62.835 63.100 -0.274 0.000 0.776 587 P CB 0.910 32.222 31.700 -0.646 0.000 0.876 588 V N 2.397 122.221 119.914 -0.149 0.000 2.540 588 V HA 0.218 4.337 4.120 -0.001 0.000 0.302 588 V C 0.539 176.622 176.094 -0.017 0.000 1.035 588 V CA -0.839 61.430 62.300 -0.052 0.000 0.873 588 V CB 1.553 33.362 31.823 -0.022 0.000 0.992 588 V HN 0.573 nan 8.190 nan 0.000 0.428 589 E N 2.550 122.779 120.200 0.049 0.000 2.414 589 E HA 0.461 4.811 4.350 -0.001 0.000 0.263 589 E C -0.243 176.428 176.600 0.117 0.000 1.000 589 E CA 0.115 56.577 56.400 0.103 0.000 0.914 589 E CB 0.938 30.704 29.700 0.109 0.000 0.948 589 E HN 0.879 nan 8.360 nan 0.000 0.444 590 A N 4.210 127.089 122.820 0.099 0.000 2.515 590 A HA 0.418 4.738 4.320 -0.001 0.000 0.296 590 A C -1.305 176.299 177.584 0.033 0.000 1.094 590 A CA -0.690 51.415 52.037 0.113 0.000 0.718 590 A CB 1.976 21.037 19.000 0.101 0.000 1.307 590 A HN 0.643 nan 8.150 nan 0.000 0.408 591 Q N 0.844 120.670 119.800 0.044 0.000 2.356 591 Q HA 0.658 4.997 4.340 -0.001 0.000 0.270 591 Q C -2.022 173.970 176.000 -0.014 0.000 1.058 591 Q CA -0.548 55.239 55.803 -0.028 0.000 0.802 591 Q CB 2.193 30.951 28.738 0.033 0.000 1.303 591 Q HN 0.580 nan 8.270 nan 0.000 0.444 592 V N 2.595 122.430 119.914 -0.131 0.000 2.513 592 V HA 0.593 4.713 4.120 -0.001 0.000 0.299 592 V C -0.575 175.686 176.094 0.278 0.000 1.035 592 V CA -0.300 62.029 62.300 0.049 0.000 0.889 592 V CB 1.886 33.694 31.823 -0.026 0.000 0.988 592 V HN 0.857 nan 8.190 nan 0.000 0.440 593 S N 5.022 120.920 115.700 0.330 0.000 2.632 593 S HA 0.699 5.168 4.470 -0.001 0.000 0.289 593 S C -2.784 171.881 174.600 0.107 0.000 1.115 593 S CA -1.151 57.231 58.200 0.302 0.000 0.889 593 S CB 2.471 65.797 63.200 0.211 0.000 1.116 593 S HN 0.530 nan 8.310 nan 0.000 0.486 594 P HA 0.303 nan 4.420 nan 0.000 0.274 594 P C -1.192 175.801 177.300 -0.512 0.000 1.256 594 P CA -0.531 62.202 63.100 -0.612 0.000 0.795 594 P CB 0.403 31.352 31.700 -1.253 0.000 1.038 595 V N 1.438 120.977 119.914 -0.624 0.000 2.333 595 V HA 0.221 4.341 4.120 -0.001 0.000 0.274 595 V C -0.644 175.153 176.094 -0.495 0.000 1.028 595 V CA -0.191 61.822 62.300 -0.478 0.000 0.851 595 V CB -0.179 31.268 31.823 -0.626 0.000 1.000 595 V HN 0.515 nan 8.190 nan 0.000 0.456 596 W N 3.087 124.296 121.300 -0.151 0.000 2.478 596 W HA 0.653 5.313 4.660 -0.001 0.000 0.318 596 W C 0.239 176.672 176.519 -0.143 0.000 1.062 596 W CA -0.347 56.893 57.345 -0.175 0.000 1.210 596 W CB 1.850 31.214 29.460 -0.160 0.000 1.325 596 W HN 0.460 nan 8.180 nan 0.000 0.496 597 S N 1.569 117.289 115.700 0.033 0.000 2.526 597 S HA 0.490 4.959 4.470 -0.001 0.000 0.293 597 S C -1.505 172.877 174.600 -0.363 0.000 1.092 597 S CA -0.884 57.264 58.200 -0.088 0.000 0.980 597 S CB 1.210 64.343 63.200 -0.111 0.000 1.048 597 S HN 0.369 nan 8.310 nan 0.000 0.483 598 W N 2.023 123.083 121.300 -0.400 0.000 2.496 598 W HA 0.538 5.197 4.660 -0.001 0.000 0.327 598 W C 0.337 176.458 176.519 -0.664 0.000 1.086 598 W CA -0.173 56.933 57.345 -0.399 0.000 1.222 598 W CB 0.759 30.101 29.460 -0.197 0.000 1.304 598 W HN 0.569 nan 8.180 nan 0.000 0.547 599 H N 1.232 120.319 119.070 0.028 0.000 2.717 599 H HA 0.119 4.675 4.556 -0.001 0.000 0.366 599 H C -1.076 174.282 175.328 0.049 0.000 1.132 599 H CA -0.967 55.063 56.048 -0.030 0.000 1.180 599 H CB 1.853 31.498 29.762 -0.194 0.000 1.678 599 H HN 0.373 nan 8.280 nan 0.000 0.537 600 H N 2.136 121.291 119.070 0.142 0.000 2.820 600 H HA 0.074 4.629 4.556 -0.001 0.000 0.278 600 H C -0.551 174.851 175.328 0.123 0.000 1.142 600 H CA -0.417 55.704 56.048 0.121 0.000 1.346 600 H CB 0.159 29.971 29.762 0.083 0.000 1.438 600 H HN 0.417 nan 8.280 nan 0.000 0.473 601 D N 3.765 124.125 120.400 -0.065 0.000 2.344 601 D HA -0.042 4.597 4.640 -0.001 0.000 0.253 601 D C 0.899 176.998 176.300 -0.335 0.000 1.255 601 D CA 0.218 54.174 54.000 -0.072 0.000 0.894 601 D CB 0.701 41.647 40.800 0.243 0.000 1.067 601 D HN 0.780 nan 8.370 nan 0.000 0.492 602 T N 1.290 115.629 114.554 -0.358 0.000 3.113 602 T HA -0.060 4.290 4.350 -0.001 0.000 0.263 602 T C 1.734 176.366 174.700 -0.113 0.000 1.143 602 T CA 0.104 62.030 62.100 -0.290 0.000 1.090 602 T CB 0.211 68.980 68.868 -0.165 0.000 0.922 602 T HN 0.246 nan 8.240 nan 0.000 0.521 603 L N 2.133 123.311 121.223 -0.077 0.000 2.189 603 L HA 0.144 4.484 4.340 -0.001 0.000 0.199 603 L C 2.921 179.779 176.870 -0.019 0.000 1.074 603 L CA 1.987 56.806 54.840 -0.035 0.000 0.783 603 L CB -1.887 40.156 42.059 -0.026 0.000 0.955 603 L HN 0.526 nan 8.230 nan 0.000 0.460 604 T N -3.831 110.715 114.554 -0.013 0.000 3.100 604 T HA 0.002 4.352 4.350 -0.001 0.000 0.253 604 T C 0.742 175.457 174.700 0.025 0.000 1.118 604 T CA -0.145 61.952 62.100 -0.005 0.000 1.058 604 T CB 0.043 68.892 68.868 -0.031 0.000 0.953 604 T HN 0.110 nan 8.240 nan 0.000 0.515 605 K N 1.969 122.390 120.400 0.035 0.000 3.125 605 K HA -0.125 4.195 4.320 -0.001 0.000 0.268 605 K C 0.134 176.836 176.600 0.170 0.000 1.078 605 K CA 1.263 57.618 56.287 0.114 0.000 0.775 605 K CB -2.868 29.691 32.500 0.098 0.000 1.253 605 K HN 0.878 nan 8.250 nan 0.000 0.486 606 T N -2.735 111.932 114.554 0.188 0.000 2.916 606 T HA 0.817 5.166 4.350 -0.001 0.000 0.292 606 T C 0.288 175.219 174.700 0.385 0.000 1.064 606 T CA -1.053 61.187 62.100 0.234 0.000 1.011 606 T CB 2.278 71.234 68.868 0.146 0.000 1.152 606 T HN 0.140 nan 8.240 nan 0.000 0.510 607 I N 3.792 124.584 120.570 0.370 0.000 2.355 607 I HA 0.440 4.610 4.170 -0.001 0.000 0.288 607 I C -0.028 176.403 176.117 0.523 0.000 0.999 607 I CA -0.751 60.796 61.300 0.411 0.000 1.163 607 I CB 0.714 38.883 38.000 0.282 0.000 1.316 607 I HN 0.788 nan 8.210 nan 0.000 0.454 608 H N 6.384 125.623 119.070 0.282 0.000 3.008 608 H HA 0.601 5.156 4.556 -0.001 0.000 0.354 608 H C -3.301 171.815 175.328 -0.354 0.000 1.252 608 H CA -2.687 53.364 56.048 0.006 0.000 1.117 608 H CB 2.014 31.777 29.762 0.002 0.000 1.857 608 H HN 0.160 nan 8.280 nan 0.000 0.547 609 P HA 0.223 nan 4.420 nan 0.000 0.292 609 P C -0.764 176.431 177.300 -0.174 0.000 1.283 609 P CA -0.596 61.955 63.100 -0.914 0.000 0.835 609 P CB 2.082 32.877 31.700 -1.507 0.000 1.017 610 Q N 1.158 120.955 119.800 -0.005 0.000 2.337 610 Q HA 0.574 4.913 4.340 -0.001 0.000 0.266 610 Q C 0.241 176.310 176.000 0.115 0.000 1.023 610 Q CA -0.551 55.341 55.803 0.147 0.000 0.829 610 Q CB 2.752 31.581 28.738 0.153 0.000 1.306 610 Q HN 0.583 nan 8.270 nan 0.000 0.449 611 G N 0.628 109.387 108.800 -0.068 0.000 2.371 611 G HA2 0.335 4.295 3.960 -0.001 0.000 0.326 611 G HA3 0.335 4.295 3.960 -0.001 0.000 0.326 611 G C -0.382 174.280 174.900 -0.397 0.000 1.127 611 G CA -0.335 44.425 45.100 -0.565 0.000 0.885 611 G HN 0.429 nan 8.290 nan 0.000 0.477 612 S N -0.463 114.947 115.700 -0.483 0.000 2.564 612 S HA 0.329 4.798 4.470 -0.001 0.000 0.278 612 S C 1.515 175.878 174.600 -0.394 0.000 1.333 612 S CA 0.228 58.185 58.200 -0.404 0.000 1.048 612 S CB 0.725 63.622 63.200 -0.505 0.000 0.900 612 S HN 0.883 nan 8.310 nan 0.000 0.505 613 T N -0.027 114.370 114.554 -0.261 0.000 3.092 613 T HA 0.183 4.532 4.350 -0.001 0.000 0.258 613 T C 1.009 175.631 174.700 -0.130 0.000 1.031 613 T CA 0.387 62.399 62.100 -0.146 0.000 0.925 613 T CB -0.204 68.626 68.868 -0.063 0.000 1.036 613 T HN 0.703 nan 8.240 nan 0.000 0.544 614 T N -2.305 112.057 114.554 -0.320 0.000 3.046 614 T HA 0.383 4.733 4.350 -0.001 0.000 0.270 614 T C 0.181 174.606 174.700 -0.458 0.000 0.920 614 T CA -0.495 61.455 62.100 -0.250 0.000 0.874 614 T CB 0.327 69.122 68.868 -0.122 0.000 1.214 614 T HN 0.230 nan 8.240 nan 0.000 0.536 615 K N 0.722 120.637 120.400 -0.809 0.000 2.318 615 K HA 0.690 5.010 4.320 -0.001 0.000 0.249 615 K C -1.831 174.057 176.600 -1.187 0.000 0.942 615 K CA -0.789 55.078 56.287 -0.700 0.000 0.808 615 K CB 2.159 34.339 32.500 -0.533 0.000 1.189 615 K HN 0.143 nan 8.250 nan 0.000 0.428 616 Y N -0.148 120.069 120.300 -0.138 0.000 2.615 616 Y HA 0.422 4.971 4.550 -0.001 0.000 0.341 616 Y C -0.263 175.644 175.900 0.011 0.000 1.089 616 Y CA -1.146 56.901 58.100 -0.089 0.000 1.049 616 Y CB 1.680 40.157 38.460 0.027 0.000 1.296 616 Y HN 0.247 nan 8.280 nan 0.000 0.470 617 R N 1.648 122.273 120.500 0.209 0.000 2.294 617 R HA 0.596 4.935 4.340 -0.001 0.000 0.319 617 R C -1.253 175.212 176.300 0.276 0.000 0.984 617 R CA -0.661 55.604 56.100 0.275 0.000 0.861 617 R CB 1.712 32.150 30.300 0.230 0.000 1.104 617 R HN 0.662 nan 8.270 nan 0.000 0.451 618 I N 4.147 124.903 120.570 0.310 0.000 2.412 618 I HA 0.447 4.616 4.170 -0.001 0.000 0.296 618 I C -1.038 175.262 176.117 0.305 0.000 0.987 618 I CA -0.744 60.730 61.300 0.291 0.000 1.180 618 I CB 1.078 39.264 38.000 0.310 0.000 1.340 618 I HN 0.543 nan 8.210 nan 0.000 0.455 619 I N 7.939 128.661 120.570 0.253 0.000 2.545 619 I HA 0.524 4.693 4.170 -0.001 0.000 0.292 619 I C -1.093 175.177 176.117 0.255 0.000 1.040 619 I CA -0.551 60.849 61.300 0.165 0.000 1.068 619 I CB 1.773 39.829 38.000 0.093 0.000 1.251 619 I HN 0.529 nan 8.210 nan 0.000 0.424 620 F N 2.679 122.652 119.950 0.040 0.000 2.713 620 F HA 0.547 5.074 4.527 -0.001 0.000 0.311 620 F C -1.106 174.678 175.800 -0.027 0.000 1.141 620 F CA -1.271 56.731 58.000 0.004 0.000 0.939 620 F CB 1.315 40.305 39.000 -0.016 0.000 1.325 620 F HN 0.225 nan 8.300 nan 0.000 0.453 621 K N 2.079 122.579 120.400 0.167 0.000 2.316 621 K HA 0.727 5.046 4.320 -0.001 0.000 0.289 621 K C -0.646 176.015 176.600 0.102 0.000 1.070 621 K CA -0.295 56.029 56.287 0.061 0.000 0.928 621 K CB 0.788 33.351 32.500 0.104 0.000 1.039 621 K HN 0.933 nan 8.250 nan 0.000 0.480 622 A N 4.642 127.425 122.820 -0.061 0.000 2.306 622 A HA 0.430 4.749 4.320 -0.001 0.000 0.314 622 A C -0.671 177.047 177.584 0.222 0.000 1.164 622 A CA -0.714 51.350 52.037 0.045 0.000 0.822 622 A CB 0.731 19.704 19.000 -0.044 0.000 1.130 622 A HN 0.878 nan 8.150 nan 0.000 0.496 623 R N 1.985 122.727 120.500 0.403 0.000 2.409 623 R HA 0.598 4.937 4.340 -0.001 0.000 0.313 623 R C -1.873 174.685 176.300 0.429 0.000 0.953 623 R CA -0.225 56.100 56.100 0.376 0.000 0.849 623 R CB 1.309 31.817 30.300 0.345 0.000 1.171 623 R HN 0.504 nan 8.270 nan 0.000 0.458 624 V N 6.045 126.163 119.914 0.340 0.000 2.656 624 V HA 0.495 4.615 4.120 -0.001 0.000 0.307 624 V C -2.250 173.748 176.094 -0.159 0.000 1.051 624 V CA -2.351 60.045 62.300 0.160 0.000 0.893 624 V CB 1.893 33.785 31.823 0.116 0.000 0.999 624 V HN 0.775 nan 8.190 nan 0.000 0.426 625 P HA 0.255 nan 4.420 nan 0.000 0.272 625 P C -2.764 174.060 177.300 -0.793 0.000 1.240 625 P CA -1.561 60.653 63.100 -1.477 0.000 0.791 625 P CB -0.249 30.757 31.700 -1.156 0.000 0.978 626 P HA 0.082 nan 4.420 nan 0.000 0.264 626 P C 0.144 177.402 177.300 -0.069 0.000 1.193 626 P CA 0.608 63.518 63.100 -0.316 0.000 0.763 626 P CB -0.249 31.334 31.700 -0.194 0.000 0.810 627 M N 0.416 120.018 119.600 0.003 0.000 2.210 627 M HA -0.223 4.256 4.480 -0.001 0.000 0.198 627 M C 0.608 177.108 176.300 0.333 0.000 0.319 627 M CA 0.956 56.394 55.300 0.230 0.000 0.399 627 M CB -1.957 30.868 32.600 0.375 0.000 1.227 627 M HN 0.586 nan 8.290 nan 0.000 0.931 628 G N -0.239 108.617 108.800 0.094 0.000 3.176 628 G HA2 0.938 4.897 3.960 -0.001 0.000 0.272 628 G HA3 0.938 4.897 3.960 -0.001 0.000 0.272 628 G C -1.314 173.724 174.900 0.231 0.000 1.349 628 G CA -0.957 44.178 45.100 0.059 0.000 0.953 628 G HN 0.192 nan 8.290 nan 0.000 0.559 629 L N -0.483 120.851 121.223 0.186 0.000 2.409 629 L HA 0.784 5.123 4.340 -0.001 0.000 0.262 629 L C -0.319 176.650 176.870 0.165 0.000 0.992 629 L CA -1.032 53.948 54.840 0.233 0.000 0.817 629 L CB 2.487 44.688 42.059 0.238 0.000 1.350 629 L HN 0.752 nan 8.230 nan 0.000 0.411 630 A N 0.865 123.822 122.820 0.229 0.000 2.398 630 A HA 0.801 5.121 4.320 -0.001 0.000 0.301 630 A C -0.765 176.973 177.584 0.256 0.000 1.041 630 A CA -0.448 51.709 52.037 0.200 0.000 0.711 630 A CB 1.681 20.850 19.000 0.281 0.000 1.240 630 A HN 0.557 nan 8.150 nan 0.000 0.420 631 T N 2.203 116.807 114.554 0.083 0.000 2.829 631 T HA 0.644 4.993 4.350 -0.001 0.000 0.282 631 T C -1.026 173.588 174.700 -0.144 0.000 0.990 631 T CA 0.238 62.427 62.100 0.147 0.000 1.028 631 T CB 0.341 69.300 68.868 0.152 0.000 0.951 631 T HN 0.440 nan 8.240 nan 0.000 0.460 632 Y N 0.364 120.752 120.300 0.147 0.000 2.602 632 Y HA 0.677 5.227 4.550 -0.001 0.000 0.342 632 Y C -0.302 175.530 175.900 -0.113 0.000 1.029 632 Y CA -1.155 56.947 58.100 0.003 0.000 1.080 632 Y CB 1.713 40.193 38.460 0.032 0.000 1.284 632 Y HN 0.313 nan 8.280 nan 0.000 0.485 633 V N 3.035 122.919 119.914 -0.051 0.000 2.656 633 V HA 0.449 4.569 4.120 -0.001 0.000 0.307 633 V C -0.828 175.213 176.094 -0.087 0.000 1.051 633 V CA -0.966 61.245 62.300 -0.149 0.000 0.893 633 V CB 1.890 33.558 31.823 -0.258 0.000 0.999 633 V HN 0.497 nan 8.190 nan 0.000 0.426 634 L N 3.856 125.056 121.223 -0.037 0.000 2.287 634 L HA 0.677 5.017 4.340 -0.001 0.000 0.287 634 L C -0.173 176.717 176.870 0.035 0.000 1.022 634 L CA -0.139 54.695 54.840 -0.011 0.000 0.814 634 L CB 1.864 43.931 42.059 0.015 0.000 1.217 634 L HN 0.612 nan 8.230 nan 0.000 0.420 635 T N 3.709 118.286 114.554 0.038 0.000 2.861 635 T HA 0.472 4.822 4.350 -0.001 0.000 0.287 635 T C -0.257 174.494 174.700 0.085 0.000 1.003 635 T CA -0.384 61.752 62.100 0.060 0.000 0.977 635 T CB 2.417 71.310 68.868 0.042 0.000 0.996 635 T HN 0.385 nan 8.240 nan 0.000 0.448 636 I N 2.983 123.611 120.570 0.097 0.000 2.612 636 I HA 0.576 4.745 4.170 -0.001 0.000 0.295 636 I C 0.175 176.357 176.117 0.108 0.000 1.011 636 I CA 0.084 61.457 61.300 0.122 0.000 1.326 636 I CB 0.805 38.880 38.000 0.126 0.000 1.427 636 I HN 0.828 nan 8.210 nan 0.000 0.537 637 S N 3.689 119.468 115.700 0.132 0.000 2.661 637 S HA 0.310 4.779 4.470 -0.001 0.000 0.285 637 S C 0.113 174.739 174.600 0.045 0.000 1.138 637 S CA -0.574 57.669 58.200 0.072 0.000 0.855 637 S CB 1.537 64.766 63.200 0.049 0.000 1.136 637 S HN 0.747 nan 8.310 nan 0.000 0.484 638 D N -0.028 120.342 120.400 -0.050 0.000 2.355 638 D HA 0.062 4.701 4.640 -0.001 0.000 0.218 638 D C 0.643 176.680 176.300 -0.438 0.000 1.004 638 D CA 0.571 54.497 54.000 -0.123 0.000 0.880 638 D CB -0.003 40.744 40.800 -0.089 0.000 0.911 638 D HN 0.618 nan 8.370 nan 0.000 0.528 639 S N -1.109 114.260 115.700 -0.551 0.000 2.656 639 S HA 0.324 4.794 4.470 -0.001 0.000 0.273 639 S C -0.707 173.530 174.600 -0.606 0.000 1.168 639 S CA -1.164 56.469 58.200 -0.946 0.000 0.817 639 S CB 1.701 64.608 63.200 -0.489 0.000 1.146 639 S HN -0.049 nan 8.310 nan 0.000 0.475 640 K N 2.258 122.393 120.400 -0.441 0.000 2.473 640 K HA 0.133 4.452 4.320 -0.001 0.000 0.277 640 K C -2.179 174.464 176.600 0.072 0.000 1.052 640 K CA -0.415 55.916 56.287 0.074 0.000 1.114 640 K CB -0.496 32.068 32.500 0.106 0.000 0.869 640 K HN 0.436 nan 8.250 nan 0.000 0.481 641 P HA 0.023 nan 4.420 nan 0.000 0.277 641 P C 0.369 177.693 177.300 0.040 0.000 1.240 641 P CA -0.274 62.879 63.100 0.088 0.000 0.798 641 P CB 0.934 32.708 31.700 0.124 0.000 0.979 642 E N 1.002 121.180 120.200 -0.036 0.000 2.118 642 E HA -0.224 4.126 4.350 -0.001 0.000 0.195 642 E C 0.610 177.014 176.600 -0.327 0.000 0.992 642 E CA 1.128 57.409 56.400 -0.198 0.000 0.804 642 E CB -0.034 29.481 29.700 -0.308 0.000 0.741 642 E HN 0.461 nan 8.360 nan 0.000 0.458 643 H N -0.674 118.411 119.070 0.025 0.000 2.505 643 H HA 0.220 4.775 4.556 -0.001 0.000 0.289 643 H C -0.395 174.932 175.328 -0.002 0.000 1.052 643 H CA 0.250 56.306 56.048 0.014 0.000 1.156 643 H CB 0.729 30.497 29.762 0.010 0.000 1.507 643 H HN -0.045 nan 8.280 nan 0.000 0.548 644 T N 1.355 115.937 114.554 0.045 0.000 2.824 644 T HA 0.331 4.681 4.350 -0.001 0.000 0.282 644 T C 0.268 174.861 174.700 -0.178 0.000 0.993 644 T CA -0.719 61.341 62.100 -0.066 0.000 0.967 644 T CB 2.212 71.035 68.868 -0.074 0.000 0.960 644 T HN 0.249 nan 8.240 nan 0.000 0.441 645 S N 2.195 117.737 115.700 -0.262 0.000 2.718 645 S HA 0.791 5.260 4.470 -0.001 0.000 0.300 645 S C -1.416 172.820 174.600 -0.605 0.000 1.117 645 S CA -0.829 57.229 58.200 -0.237 0.000 1.002 645 S CB 0.889 64.057 63.200 -0.053 0.000 1.092 645 S HN 0.578 nan 8.310 nan 0.000 0.542 646 Y N -0.006 120.294 120.300 0.000 0.000 2.376 646 Y HA 0.653 5.203 4.550 -0.001 0.000 0.340 646 Y C 0.570 176.513 175.900 0.071 0.000 0.965 646 Y CA -0.792 57.289 58.100 -0.031 0.000 1.078 646 Y CB 1.684 39.988 38.460 -0.260 0.000 1.193 646 Y HN 1.036 nan 8.280 nan 0.000 0.452 647 A N 1.997 124.993 122.820 0.293 0.000 2.386 647 A HA 0.504 4.823 4.320 -0.001 0.000 0.248 647 A C 0.298 178.073 177.584 0.319 0.000 1.082 647 A CA -0.291 51.910 52.037 0.274 0.000 0.789 647 A CB -0.037 19.123 19.000 0.268 0.000 1.025 647 A HN 0.771 nan 8.150 nan 0.000 0.490 648 S N 1.847 117.673 115.700 0.210 0.000 2.652 648 S HA 0.553 5.022 4.470 -0.001 0.000 0.270 648 S C -0.361 174.338 174.600 0.164 0.000 1.243 648 S CA -0.870 57.441 58.200 0.184 0.000 0.999 648 S CB 0.752 64.019 63.200 0.111 0.000 0.973 648 S HN 0.690 nan 8.310 nan 0.000 0.544 649 N N 0.458 119.233 118.700 0.125 0.000 2.310 649 N HA 0.466 5.206 4.740 -0.001 0.000 0.292 649 N C -2.023 173.444 175.510 -0.073 0.000 1.049 649 N CA -0.518 52.567 53.050 0.058 0.000 0.849 649 N CB 2.011 40.616 38.487 0.197 0.000 1.532 649 N HN 0.592 nan 8.380 nan 0.000 0.479 650 L N 2.676 123.814 121.223 -0.142 0.000 2.372 650 L HA 0.490 4.829 4.340 -0.001 0.000 0.274 650 L C -1.528 175.197 176.870 -0.241 0.000 0.988 650 L CA -0.593 54.133 54.840 -0.190 0.000 0.833 650 L CB 1.471 43.471 42.059 -0.099 0.000 1.236 650 L HN 0.419 nan 8.230 nan 0.000 0.410 651 L N 6.775 127.805 121.223 -0.321 0.000 2.265 651 L HA 0.474 4.814 4.340 -0.001 0.000 0.289 651 L C -1.220 175.628 176.870 -0.036 0.000 1.033 651 L CA -0.343 54.369 54.840 -0.215 0.000 0.814 651 L CB 1.136 43.063 42.059 -0.221 0.000 1.203 651 L HN 0.674 nan 8.230 nan 0.000 0.423 652 L N 6.958 128.177 121.223 -0.007 0.000 2.265 652 L HA 0.585 4.924 4.340 -0.001 0.000 0.289 652 L C -0.231 176.679 176.870 0.067 0.000 1.033 652 L CA -0.553 54.312 54.840 0.042 0.000 0.814 652 L CB 1.112 43.188 42.059 0.027 0.000 1.203 652 L HN 0.673 nan 8.230 nan 0.000 0.423 653 R N 2.041 122.592 120.500 0.085 0.000 2.753 653 R HA 0.437 4.777 4.340 -0.001 0.000 0.272 653 R C -1.763 174.573 176.300 0.061 0.000 1.034 653 R CA -1.013 55.130 56.100 0.073 0.000 0.869 653 R CB 1.129 31.474 30.300 0.075 0.000 1.264 653 R HN 0.167 nan 8.270 nan 0.000 0.481 654 K N 1.330 121.755 120.400 0.041 0.000 2.118 654 K HA 0.211 4.530 4.320 -0.001 0.000 0.264 654 K C -0.273 176.329 176.600 0.004 0.000 1.000 654 K CA -0.305 55.997 56.287 0.025 0.000 0.929 654 K CB 0.729 33.241 32.500 0.021 0.000 1.021 654 K HN 0.876 nan 8.250 nan 0.000 0.463 655 N N 1.087 119.778 118.700 -0.015 0.000 2.746 655 N HA -0.118 4.621 4.740 -0.001 0.000 0.250 655 N C -2.380 173.087 175.510 -0.071 0.000 1.055 655 N CA -0.441 52.583 53.050 -0.043 0.000 0.699 655 N CB -0.251 38.214 38.487 -0.037 0.000 0.919 655 N HN 0.394 nan 8.380 nan 0.000 0.548 656 P HA 0.251 nan 4.420 nan 0.000 0.278 656 P C -0.461 176.671 177.300 -0.281 0.000 1.258 656 P CA 0.056 63.059 63.100 -0.161 0.000 0.811 656 P CB 1.412 33.000 31.700 -0.187 0.000 1.063 657 T N -3.115 111.267 114.554 -0.287 0.000 2.906 657 T HA 0.470 4.819 4.350 -0.001 0.000 0.295 657 T C 0.157 174.683 174.700 -0.289 0.000 1.075 657 T CA -0.761 61.184 62.100 -0.259 0.000 1.005 657 T CB 0.659 69.449 68.868 -0.130 0.000 1.136 657 T HN 0.483 nan 8.240 nan 0.000 0.498 658 S N 1.069 116.649 115.700 -0.200 0.000 2.566 658 S HA 0.360 4.830 4.470 -0.001 0.000 0.280 658 S C -0.110 174.604 174.600 0.189 0.000 1.343 658 S CA -0.706 57.484 58.200 -0.016 0.000 1.036 658 S CB -0.369 62.833 63.200 0.004 0.000 0.866 658 S HN 0.706 nan 8.310 nan 0.000 0.526 659 L N 2.672 124.110 121.223 0.359 0.000 2.481 659 L HA 0.373 4.713 4.340 -0.001 0.000 0.255 659 L C -2.306 174.670 176.870 0.178 0.000 1.192 659 L CA -1.647 53.363 54.840 0.283 0.000 0.924 659 L CB 1.586 43.881 42.059 0.394 0.000 1.179 659 L HN 0.599 nan 8.230 nan 0.000 0.491 660 P HA 0.156 nan 4.420 nan 0.000 0.271 660 P C -0.112 177.187 177.300 -0.001 0.000 1.218 660 P CA -0.139 62.997 63.100 0.060 0.000 0.780 660 P CB 1.721 33.447 31.700 0.044 0.000 0.901 661 L N 1.449 122.680 121.223 0.013 0.000 3.288 661 L HA 0.279 4.619 4.340 -0.001 0.000 0.293 661 L C 1.486 178.419 176.870 0.104 0.000 1.294 661 L CA -0.136 54.689 54.840 -0.025 0.000 1.006 661 L CB 0.028 42.036 42.059 -0.084 0.000 1.407 661 L HN 0.721 nan 8.230 nan 0.000 0.592 662 G N 1.066 109.911 108.800 0.075 0.000 2.629 662 G HA2 -0.417 3.543 3.960 -0.001 0.000 0.313 662 G HA3 -0.417 3.543 3.960 -0.001 0.000 0.313 662 G C 0.623 175.579 174.900 0.093 0.000 1.217 662 G CA 0.785 45.946 45.100 0.102 0.000 0.994 662 G HN 0.465 nan 8.290 nan 0.000 0.549 663 Q N -0.478 119.365 119.800 0.072 0.000 2.472 663 Q HA 0.147 4.486 4.340 -0.001 0.000 0.208 663 Q C 0.850 176.701 176.000 -0.249 0.000 0.958 663 Q CA 0.253 55.999 55.803 -0.095 0.000 0.932 663 Q CB 0.228 28.838 28.738 -0.213 0.000 1.007 663 Q HN 0.504 nan 8.270 nan 0.000 0.508 664 Y N 3.983 124.096 120.300 -0.311 0.000 2.805 664 Y HA -0.062 4.487 4.550 -0.001 0.000 0.331 664 Y C -1.332 174.423 175.900 -0.243 0.000 1.241 664 Y CA -1.464 56.435 58.100 -0.335 0.000 1.546 664 Y CB 0.790 39.189 38.460 -0.101 0.000 1.248 664 Y HN 0.056 nan 8.280 nan 0.000 0.559 665 P HA -0.082 nan 4.420 nan 0.000 0.237 665 P C -0.794 176.348 177.300 -0.264 0.000 1.178 665 P CA 1.118 63.948 63.100 -0.450 0.000 0.766 665 P CB 0.521 31.837 31.700 -0.641 0.000 0.876 666 E N 0.851 120.936 120.200 -0.192 0.000 2.241 666 E HA 0.209 4.559 4.350 -0.001 0.000 0.263 666 E C -0.762 175.968 176.600 0.216 0.000 0.882 666 E CA -0.589 55.831 56.400 0.034 0.000 0.769 666 E CB 1.554 31.291 29.700 0.061 0.000 1.185 666 E HN -0.002 nan 8.360 nan 0.000 0.415 667 D N 1.326 121.800 120.400 0.123 0.000 2.414 667 D HA 0.062 4.701 4.640 -0.001 0.000 0.242 667 D C 0.289 176.657 176.300 0.112 0.000 1.129 667 D CA -0.081 53.998 54.000 0.132 0.000 0.885 667 D CB 1.067 41.931 40.800 0.108 0.000 1.198 667 D HN 0.038 nan 8.370 nan 0.000 0.437 668 V N 2.742 122.709 119.914 0.089 0.000 2.673 668 V HA -0.030 4.090 4.120 -0.001 0.000 0.303 668 V C 0.688 176.641 176.094 -0.234 0.000 1.046 668 V CA 0.306 62.565 62.300 -0.068 0.000 1.126 668 V CB 0.522 32.279 31.823 -0.108 0.000 0.934 668 V HN 0.381 nan 8.190 nan 0.000 0.487 669 K N 3.566 123.768 120.400 -0.330 0.000 2.156 669 K HA 0.740 5.059 4.320 -0.001 0.000 0.250 669 K C -1.029 175.228 176.600 -0.572 0.000 0.955 669 K CA -0.152 55.981 56.287 -0.257 0.000 0.855 669 K CB 1.368 33.824 32.500 -0.073 0.000 1.101 669 K HN 0.416 nan 8.250 nan 0.000 0.434 670 F N -0.536 119.430 119.950 0.026 0.000 2.611 670 F HA 0.812 5.339 4.527 -0.001 0.000 0.324 670 F C 0.508 176.316 175.800 0.012 0.000 1.061 670 F CA -0.647 57.361 58.000 0.013 0.000 0.954 670 F CB 2.683 41.690 39.000 0.011 0.000 1.301 670 F HN 0.539 nan 8.300 nan 0.000 0.482 671 G N 0.220 109.140 108.800 0.199 0.000 2.489 671 G HA2 0.377 4.336 3.960 -0.001 0.000 0.291 671 G HA3 0.377 4.336 3.960 -0.001 0.000 0.291 671 G C -2.277 172.678 174.900 0.091 0.000 1.487 671 G CA -0.887 44.282 45.100 0.115 0.000 0.795 671 G HN 0.369 nan 8.290 nan 0.000 0.513 672 D N 0.703 121.143 120.400 0.067 0.000 2.344 672 D HA 0.427 5.067 4.640 -0.001 0.000 0.244 672 D C -1.971 174.361 176.300 0.052 0.000 1.134 672 D CA -0.702 53.331 54.000 0.056 0.000 0.930 672 D CB 1.074 41.900 40.800 0.044 0.000 1.175 672 D HN 0.020 nan 8.370 nan 0.000 0.437 673 P HA 0.067 nan 4.420 nan 0.000 0.265 673 P C -0.444 176.886 177.300 0.050 0.000 1.187 673 P CA 0.453 63.584 63.100 0.052 0.000 0.766 673 P CB 0.440 32.173 31.700 0.055 0.000 0.820 674 R N 0.217 120.749 120.500 0.053 0.000 2.728 674 R HA 0.404 4.744 4.340 -0.001 0.000 0.274 674 R C -1.210 175.130 176.300 0.066 0.000 1.032 674 R CA -1.030 55.101 56.100 0.052 0.000 0.866 674 R CB 1.014 31.341 30.300 0.044 0.000 1.263 674 R HN 0.223 nan 8.270 nan 0.000 0.475 675 E N 1.379 121.618 120.200 0.066 0.000 2.373 675 E HA 0.279 4.628 4.350 -0.001 0.000 0.267 675 E C -0.094 176.563 176.600 0.095 0.000 1.032 675 E CA -0.110 56.343 56.400 0.087 0.000 0.889 675 E CB 0.919 30.655 29.700 0.059 0.000 0.984 675 E HN 0.430 nan 8.360 nan 0.000 0.425 676 I N -1.863 118.798 120.570 0.152 0.000 2.969 676 I HA 0.563 4.732 4.170 -0.001 0.000 0.307 676 I C -0.648 175.613 176.117 0.240 0.000 1.149 676 I CA -0.776 60.614 61.300 0.152 0.000 1.008 676 I CB 2.384 40.445 38.000 0.102 0.000 1.232 676 I HN 0.212 nan 8.210 nan 0.000 0.435 677 S N 3.685 119.496 115.700 0.186 0.000 2.526 677 S HA 0.884 5.353 4.470 -0.001 0.000 0.293 677 S C -1.139 173.579 174.600 0.196 0.000 1.092 677 S CA -0.546 57.774 58.200 0.201 0.000 0.980 677 S CB 1.078 64.345 63.200 0.110 0.000 1.048 677 S HN 0.649 nan 8.310 nan 0.000 0.483 678 L N 3.091 124.458 121.223 0.240 0.000 2.434 678 L HA 0.690 5.029 4.340 -0.001 0.000 0.260 678 L C -0.500 176.465 176.870 0.159 0.000 0.983 678 L CA -0.731 54.221 54.840 0.187 0.000 0.820 678 L CB 2.429 44.612 42.059 0.208 0.000 1.361 678 L HN 0.622 nan 8.230 nan 0.000 0.410 679 R N 1.598 122.168 120.500 0.116 0.000 2.522 679 R HA 0.680 5.020 4.340 -0.001 0.000 0.283 679 R C -2.070 174.278 176.300 0.079 0.000 1.074 679 R CA -0.474 55.682 56.100 0.093 0.000 0.925 679 R CB 2.323 32.670 30.300 0.078 0.000 1.205 679 R HN 0.395 nan 8.270 nan 0.000 0.436 680 V N 4.487 124.446 119.914 0.074 0.000 2.459 680 V HA 0.599 4.718 4.120 -0.001 0.000 0.295 680 V C 0.995 177.121 176.094 0.053 0.000 1.029 680 V CA 0.618 62.957 62.300 0.064 0.000 0.874 680 V CB 1.200 33.063 31.823 0.066 0.000 0.985 680 V HN 1.115 nan 8.190 nan 0.000 0.438 681 G N 5.095 113.925 108.800 0.049 0.000 2.574 681 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.286 681 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.286 681 G C 0.451 175.373 174.900 0.037 0.000 1.212 681 G CA 0.556 45.681 45.100 0.042 0.000 0.979 681 G HN 0.689 nan 8.290 nan 0.000 0.557 682 N N 2.229 120.947 118.700 0.030 0.000 2.235 682 N HA 0.238 4.977 4.740 -0.001 0.000 0.209 682 N C 1.305 176.827 175.510 0.020 0.000 1.122 682 N CA 0.925 53.989 53.050 0.023 0.000 0.845 682 N CB 0.392 38.890 38.487 0.018 0.000 1.004 682 N HN 0.845 nan 8.380 nan 0.000 0.499 683 G N 2.129 110.945 108.800 0.027 0.000 2.529 683 G HA2 0.120 4.079 3.960 -0.001 0.000 0.277 683 G HA3 0.120 4.079 3.960 -0.001 0.000 0.277 683 G C -2.244 172.669 174.900 0.022 0.000 1.383 683 G CA -0.499 44.615 45.100 0.025 0.000 1.050 683 G HN 0.029 nan 8.290 nan 0.000 0.526 684 P HA 0.202 nan 4.420 nan 0.000 0.272 684 P C -0.543 176.779 177.300 0.035 0.000 1.230 684 P CA 0.037 63.145 63.100 0.013 0.000 0.788 684 P CB 0.901 32.604 31.700 0.005 0.000 0.949 685 T N 2.589 117.162 114.554 0.032 0.000 2.771 685 T HA 0.474 4.824 4.350 -0.001 0.000 0.281 685 T C 0.002 174.740 174.700 0.064 0.000 0.982 685 T CA -0.389 61.754 62.100 0.072 0.000 0.978 685 T CB 0.167 69.092 68.868 0.095 0.000 0.930 685 T HN 0.180 nan 8.240 nan 0.000 0.447 686 L N 2.598 123.863 121.223 0.070 0.000 2.329 686 L HA 0.805 5.144 4.340 -0.001 0.000 0.279 686 L C 0.143 176.951 176.870 -0.103 0.000 1.014 686 L CA -1.193 53.607 54.840 -0.067 0.000 0.814 686 L CB 1.584 43.578 42.059 -0.108 0.000 1.257 686 L HN 0.638 nan 8.230 nan 0.000 0.424 687 A N 2.969 125.636 122.820 -0.254 0.000 2.337 687 A HA 0.868 5.188 4.320 -0.001 0.000 0.329 687 A C -1.215 176.133 177.584 -0.394 0.000 1.146 687 A CA -0.310 51.638 52.037 -0.148 0.000 0.800 687 A CB 0.821 19.773 19.000 -0.080 0.000 1.220 687 A HN 0.496 nan 8.150 nan 0.000 0.472 688 F N 0.846 120.836 119.950 0.067 0.000 2.546 688 F HA 0.544 5.071 4.527 -0.001 0.000 0.320 688 F C 1.087 176.931 175.800 0.074 0.000 1.076 688 F CA -0.342 57.714 58.000 0.093 0.000 0.928 688 F CB 2.143 41.201 39.000 0.097 0.000 1.189 688 F HN 0.666 nan 8.300 nan 0.000 0.465 689 S N 0.026 115.883 115.700 0.262 0.000 2.608 689 S HA 0.104 4.574 4.470 -0.001 0.000 0.261 689 S C 1.004 175.708 174.600 0.172 0.000 1.314 689 S CA -0.101 58.201 58.200 0.171 0.000 0.992 689 S CB 0.710 64.009 63.200 0.164 0.000 0.935 689 S HN 0.848 nan 8.310 nan 0.000 0.564 690 E N -0.106 120.164 120.200 0.117 0.000 2.409 690 E HA -0.195 4.155 4.350 -0.001 0.000 0.198 690 E C 1.283 177.946 176.600 0.104 0.000 1.024 690 E CA 0.961 57.420 56.400 0.098 0.000 0.861 690 E CB -0.398 29.345 29.700 0.071 0.000 0.788 690 E HN 0.767 nan 8.360 nan 0.000 0.521 691 Q N -0.013 119.863 119.800 0.127 0.000 2.320 691 Q HA 0.193 4.532 4.340 -0.001 0.000 0.201 691 Q C 0.788 176.877 176.000 0.149 0.000 0.910 691 Q CA 0.446 56.324 55.803 0.124 0.000 0.946 691 Q CB 0.897 29.711 28.738 0.126 0.000 1.062 691 Q HN 0.504 nan 8.270 nan 0.000 0.503 692 G N 0.395 109.303 108.800 0.179 0.000 2.143 692 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.248 692 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.248 692 G C -0.236 174.886 174.900 0.371 0.000 0.991 692 G CA -0.096 45.119 45.100 0.191 0.000 0.689 692 G HN 0.271 nan 8.290 nan 0.000 0.522 693 L N -0.158 121.319 121.223 0.423 0.000 2.325 693 L HA 0.683 5.022 4.340 -0.001 0.000 0.278 693 L C 0.821 177.983 176.870 0.487 0.000 1.023 693 L CA -1.380 53.756 54.840 0.493 0.000 0.811 693 L CB 1.569 43.832 42.059 0.339 0.000 1.249 693 L HN 0.140 nan 8.230 nan 0.000 0.431 694 L N 3.166 124.656 121.223 0.445 0.000 2.525 694 L HA -0.037 4.302 4.340 -0.001 0.000 0.278 694 L C 1.008 177.942 176.870 0.106 0.000 1.218 694 L CA 1.053 55.911 54.840 0.029 0.000 0.878 694 L CB 0.115 42.221 42.059 0.079 0.000 1.127 694 L HN 0.741 nan 8.230 nan 0.000 0.492 695 K N 1.565 121.925 120.400 -0.067 0.000 2.462 695 K HA 0.219 4.538 4.320 -0.001 0.000 0.201 695 K C -0.283 176.254 176.600 -0.104 0.000 1.268 695 K CA 0.606 56.869 56.287 -0.040 0.000 0.933 695 K CB 0.515 32.977 32.500 -0.062 0.000 1.162 695 K HN 0.798 nan 8.250 nan 0.000 0.527 696 S N -0.207 115.408 115.700 -0.141 0.000 2.565 696 S HA 0.535 5.005 4.470 -0.001 0.000 0.269 696 S C -0.951 173.592 174.600 -0.096 0.000 1.153 696 S CA -1.009 57.132 58.200 -0.098 0.000 0.835 696 S CB 1.458 64.645 63.200 -0.022 0.000 1.122 696 S HN 0.110 nan 8.310 nan 0.000 0.462 697 I N 1.374 121.904 120.570 -0.066 0.000 2.466 697 I HA 0.445 4.614 4.170 -0.001 0.000 0.289 697 I C -0.605 175.480 176.117 -0.054 0.000 1.026 697 I CA -0.365 60.900 61.300 -0.059 0.000 1.078 697 I CB 2.132 40.085 38.000 -0.079 0.000 1.249 697 I HN 0.745 nan 8.210 nan 0.000 0.429 698 Q N 6.142 125.906 119.800 -0.059 0.000 2.368 698 Q HA 0.417 4.757 4.340 -0.001 0.000 0.263 698 Q C 0.012 175.948 176.000 -0.106 0.000 1.009 698 Q CA -0.528 55.173 55.803 -0.170 0.000 0.818 698 Q CB 1.648 30.167 28.738 -0.364 0.000 1.239 698 Q HN 0.781 nan 8.270 nan 0.000 0.464 699 L N 2.119 123.283 121.223 -0.097 0.000 2.093 699 L HA -0.022 4.317 4.340 -0.001 0.000 0.208 699 L C 1.167 178.005 176.870 -0.053 0.000 1.085 699 L CA 1.300 56.102 54.840 -0.064 0.000 0.755 699 L CB -0.263 41.760 42.059 -0.059 0.000 0.904 699 L HN 0.692 nan 8.230 nan 0.000 0.435 700 T N -6.710 107.803 114.554 -0.068 0.000 2.838 700 T HA 0.205 4.555 4.350 -0.001 0.000 0.292 700 T C 0.567 175.233 174.700 -0.057 0.000 1.113 700 T CA -0.837 61.233 62.100 -0.049 0.000 1.008 700 T CB 1.846 70.690 68.868 -0.040 0.000 1.259 700 T HN -0.173 nan 8.240 nan 0.000 0.520 701 Q N 1.013 120.794 119.800 -0.031 0.000 2.096 701 Q HA -0.194 4.146 4.340 -0.001 0.000 0.208 701 Q C 1.882 177.861 176.000 -0.035 0.000 0.993 701 Q CA 2.693 58.483 55.803 -0.021 0.000 0.862 701 Q CB -0.416 28.318 28.738 -0.005 0.000 0.915 701 Q HN 0.930 nan 8.270 nan 0.000 0.416 702 D N -0.383 119.993 120.400 -0.039 0.000 2.183 702 D HA -0.058 4.582 4.640 -0.001 0.000 0.205 702 D C 0.853 177.114 176.300 -0.065 0.000 0.962 702 D CA 0.631 54.607 54.000 -0.039 0.000 0.849 702 D CB -0.317 40.467 40.800 -0.026 0.000 0.978 702 D HN 0.099 nan 8.370 nan 0.000 0.488 703 S N 1.993 117.641 115.700 -0.086 0.000 2.563 703 S HA 0.139 4.608 4.470 -0.001 0.000 0.269 703 S C -2.109 172.390 174.600 -0.168 0.000 1.364 703 S CA -0.913 57.224 58.200 -0.105 0.000 1.010 703 S CB 0.205 63.345 63.200 -0.099 0.000 0.877 703 S HN 0.096 nan 8.310 nan 0.000 0.549 704 P HA 0.199 nan 4.420 nan 0.000 0.276 704 P C -0.750 176.418 177.300 -0.220 0.000 1.252 704 P CA -0.414 62.608 63.100 -0.130 0.000 0.802 704 P CB 0.277 31.957 31.700 -0.033 0.000 1.035 705 H N 0.186 119.245 119.070 -0.019 0.000 3.067 705 H HA 0.170 4.726 4.556 -0.001 0.000 0.265 705 H C -0.093 175.206 175.328 -0.049 0.000 1.234 705 H CA -0.306 55.720 56.048 -0.036 0.000 1.452 705 H CB -0.134 29.609 29.762 -0.032 0.000 1.527 705 H HN 0.077 nan 8.280 nan 0.000 0.486 706 V N 6.913 126.817 119.914 -0.016 0.000 2.479 706 V HA 0.045 4.164 4.120 -0.001 0.000 0.281 706 V C -1.861 174.170 176.094 -0.106 0.000 1.031 706 V CA -1.441 60.828 62.300 -0.053 0.000 1.038 706 V CB 0.668 32.450 31.823 -0.068 0.000 0.981 706 V HN 0.536 nan 8.190 nan 0.000 0.478 707 P HA 0.174 nan 4.420 nan 0.000 0.266 707 P C -0.814 176.325 177.300 -0.268 0.000 1.215 707 P CA 0.253 63.181 63.100 -0.286 0.000 0.763 707 P CB 0.477 31.825 31.700 -0.587 0.000 0.806 708 V N 4.310 124.110 119.914 -0.190 0.000 2.509 708 V HA 0.230 4.349 4.120 -0.001 0.000 0.289 708 V C -0.788 175.216 176.094 -0.151 0.000 1.026 708 V CA -0.432 61.746 62.300 -0.202 0.000 0.872 708 V CB 1.205 32.897 31.823 -0.220 0.000 1.017 708 V HN 0.539 nan 8.190 nan 0.000 0.436 709 H N 4.562 123.477 119.070 -0.257 0.000 2.505 709 H HA 0.677 5.233 4.556 -0.001 0.000 0.338 709 H C -1.290 173.922 175.328 -0.193 0.000 1.057 709 H CA -1.028 54.914 56.048 -0.177 0.000 1.202 709 H CB 1.157 30.856 29.762 -0.105 0.000 1.466 709 H HN 0.383 nan 8.280 nan 0.000 0.499 710 F N 3.832 123.536 119.950 -0.410 0.000 2.384 710 F HA 0.392 4.918 4.527 -0.001 0.000 0.338 710 F C 0.389 175.692 175.800 -0.827 0.000 1.103 710 F CA -0.092 57.597 58.000 -0.518 0.000 1.157 710 F CB 0.954 39.769 39.000 -0.308 0.000 1.167 710 F HN 0.468 nan 8.300 nan 0.000 0.529 711 K N 3.188 123.320 120.400 -0.447 0.000 2.523 711 K HA 0.500 4.820 4.320 -0.001 0.000 0.257 711 K C -1.999 174.332 176.600 -0.449 0.000 0.932 711 K CA -0.552 55.509 56.287 -0.376 0.000 0.812 711 K CB 1.337 33.675 32.500 -0.269 0.000 1.326 711 K HN 0.396 nan 8.250 nan 0.000 0.433 712 F N 3.869 123.737 119.950 -0.137 0.000 2.443 712 F HA 0.524 5.050 4.527 -0.001 0.000 0.335 712 F C -0.390 175.363 175.800 -0.078 0.000 1.104 712 F CA -0.587 57.347 58.000 -0.110 0.000 1.013 712 F CB 1.249 40.170 39.000 -0.132 0.000 1.136 712 F HN 0.246 nan 8.300 nan 0.000 0.470 713 L N 2.549 123.814 121.223 0.071 0.000 2.322 713 L HA 0.621 4.960 4.340 -0.001 0.000 0.252 713 L C -1.174 175.687 176.870 -0.016 0.000 1.055 713 L CA -1.026 53.804 54.840 -0.015 0.000 0.849 713 L CB 2.333 44.322 42.059 -0.116 0.000 1.446 713 L HN 0.490 nan 8.230 nan 0.000 0.416 714 K N -0.321 120.032 120.400 -0.078 0.000 2.427 714 K HA 0.660 4.979 4.320 -0.001 0.000 0.252 714 K C -1.811 174.726 176.600 -0.104 0.000 0.931 714 K CA -0.805 55.465 56.287 -0.030 0.000 0.793 714 K CB 1.842 34.358 32.500 0.026 0.000 1.211 714 K HN 0.278 nan 8.250 nan 0.000 0.426 715 Y N 0.520 120.879 120.300 0.097 0.000 2.419 715 Y HA 0.527 5.076 4.550 -0.001 0.000 0.328 715 Y C 0.976 176.932 175.900 0.093 0.000 1.162 715 Y CA 0.021 58.191 58.100 0.116 0.000 1.174 715 Y CB 2.213 40.809 38.460 0.227 0.000 1.228 715 Y HN 0.924 nan 8.280 nan 0.000 0.473 716 G N 0.439 109.386 108.800 0.245 0.000 2.971 716 G HA2 0.630 4.589 3.960 -0.001 0.000 0.235 716 G HA3 0.630 4.589 3.960 -0.001 0.000 0.235 716 G C -1.501 173.473 174.900 0.123 0.000 1.351 716 G CA -0.747 44.440 45.100 0.145 0.000 1.039 716 G HN 0.430 nan 8.290 nan 0.000 0.563 717 V N -0.043 119.911 119.914 0.067 0.000 2.769 717 V HA 0.459 4.578 4.120 -0.001 0.000 0.312 717 V C -0.010 176.076 176.094 -0.013 0.000 1.061 717 V CA -0.851 61.467 62.300 0.029 0.000 0.931 717 V CB 1.884 33.727 31.823 0.033 0.000 1.010 717 V HN 0.677 nan 8.190 nan 0.000 0.433 718 R N 1.463 121.925 120.500 -0.063 0.000 2.590 718 R HA 0.172 4.512 4.340 -0.001 0.000 0.274 718 R C 1.267 177.497 176.300 -0.117 0.000 1.061 718 R CA 0.461 56.477 56.100 -0.140 0.000 1.081 718 R CB 0.567 30.724 30.300 -0.238 0.000 0.984 718 R HN 0.918 nan 8.270 nan 0.000 0.448 719 S N 1.321 116.957 115.700 -0.107 0.000 2.496 719 S HA -0.055 4.414 4.470 -0.001 0.000 0.224 719 S C 0.252 174.879 174.600 0.044 0.000 0.996 719 S CA 0.125 58.326 58.200 0.002 0.000 0.927 719 S CB -0.312 62.938 63.200 0.083 0.000 0.774 719 S HN 0.826 nan 8.310 nan 0.000 0.524 720 H N -2.149 116.923 119.070 0.004 0.000 2.895 720 H HA 0.770 5.325 4.556 -0.001 0.000 0.373 720 H C 0.464 175.792 175.328 -0.001 0.000 1.174 720 H CA -0.502 55.547 56.048 0.002 0.000 1.144 720 H CB 1.105 30.868 29.762 0.001 0.000 1.793 720 H HN 0.383 nan 8.280 nan 0.000 0.551 721 G N 1.101 109.918 108.800 0.029 0.000 2.568 721 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.222 721 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.222 721 G C -1.197 173.678 174.900 -0.041 0.000 1.321 721 G CA -0.292 44.800 45.100 -0.012 0.000 0.893 721 G HN 0.859 nan 8.290 nan 0.000 0.569 722 D N 1.403 121.776 120.400 -0.046 0.000 2.389 722 D HA 0.449 5.088 4.640 -0.001 0.000 0.247 722 D C 0.964 177.232 176.300 -0.053 0.000 1.128 722 D CA 0.311 54.286 54.000 -0.042 0.000 0.884 722 D CB 0.619 41.396 40.800 -0.038 0.000 1.194 722 D HN 0.496 nan 8.370 nan 0.000 0.441 723 R N 1.076 121.554 120.500 -0.037 0.000 2.474 723 R HA 0.343 4.683 4.340 -0.001 0.000 0.295 723 R C 0.128 176.418 176.300 -0.017 0.000 0.980 723 R CA -0.679 55.406 56.100 -0.027 0.000 0.934 723 R CB 1.306 31.599 30.300 -0.011 0.000 1.101 723 R HN 0.314 nan 8.270 nan 0.000 0.469 724 S N 0.432 116.132 115.700 -0.000 0.000 2.563 724 S HA 0.307 4.776 4.470 -0.001 0.000 0.284 724 S C 0.457 175.071 174.600 0.024 0.000 1.331 724 S CA 0.039 58.255 58.200 0.028 0.000 1.047 724 S CB 1.168 64.416 63.200 0.081 0.000 0.859 724 S HN 0.788 nan 8.310 nan 0.000 0.514 725 G N -0.208 108.605 108.800 0.022 0.000 2.815 725 G HA2 0.584 4.544 3.960 -0.001 0.000 0.305 725 G HA3 0.584 4.544 3.960 -0.001 0.000 0.305 725 G C 0.522 175.425 174.900 0.006 0.000 1.277 725 G CA -0.126 44.989 45.100 0.025 0.000 0.795 725 G HN 0.711 nan 8.290 nan 0.000 0.528 726 A N -1.273 121.531 122.820 -0.026 0.000 1.978 726 A HA 0.053 4.373 4.320 -0.001 0.000 0.220 726 A C 1.893 179.343 177.584 -0.223 0.000 1.170 726 A CA 2.093 54.049 52.037 -0.134 0.000 0.636 726 A CB -0.629 18.230 19.000 -0.236 0.000 0.810 726 A HN 0.603 nan 8.150 nan 0.000 0.448 727 Y N -0.812 119.424 120.300 -0.106 0.000 2.301 727 Y HA 0.339 4.888 4.550 -0.001 0.000 0.295 727 Y C 0.875 176.664 175.900 -0.185 0.000 1.126 727 Y CA -0.002 57.964 58.100 -0.224 0.000 1.154 727 Y CB -0.143 37.829 38.460 -0.813 0.000 1.075 727 Y HN 0.025 nan 8.280 nan 0.000 0.534 728 L N 0.560 121.733 121.223 -0.084 0.000 2.312 728 L HA 0.205 4.544 4.340 -0.001 0.000 0.281 728 L C -1.086 175.833 176.870 0.082 0.000 1.070 728 L CA -0.550 54.255 54.840 -0.058 0.000 0.805 728 L CB 0.849 42.823 42.059 -0.141 0.000 1.174 728 L HN 0.025 nan 8.230 nan 0.000 0.434 729 F N 4.907 124.802 119.950 -0.092 0.000 2.375 729 F HA 0.490 5.016 4.527 -0.001 0.000 0.361 729 F C -0.739 174.984 175.800 -0.128 0.000 1.117 729 F CA -1.220 56.687 58.000 -0.155 0.000 1.037 729 F CB 0.658 39.503 39.000 -0.259 0.000 1.192 729 F HN 0.215 nan 8.300 nan 0.000 0.452 730 L N 9.130 130.266 121.223 -0.145 0.000 2.529 730 L HA 0.323 4.662 4.340 -0.001 0.000 0.246 730 L C -2.319 174.379 176.870 -0.286 0.000 1.394 730 L CA -1.747 52.946 54.840 -0.246 0.000 0.906 730 L CB 1.015 43.012 42.059 -0.104 0.000 1.170 730 L HN 0.394 nan 8.230 nan 0.000 0.501 731 P HA 0.002 nan 4.420 nan 0.000 0.269 731 P C -0.497 176.720 177.300 -0.138 0.000 1.215 731 P CA -0.187 62.728 63.100 -0.309 0.000 0.780 731 P CB 0.574 31.953 31.700 -0.535 0.000 0.898 732 N N 1.340 120.029 118.700 -0.019 0.000 3.250 732 N HA 0.270 5.010 4.740 -0.001 0.000 0.307 732 N C 0.669 176.192 175.510 0.023 0.000 1.355 732 N CA -0.112 52.928 53.050 -0.016 0.000 1.192 732 N CB -0.790 37.695 38.487 -0.004 0.000 1.478 732 N HN 0.749 nan 8.380 nan 0.000 0.543 733 G N 0.973 109.782 108.800 0.015 0.000 2.710 733 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.668 733 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.668 733 G C -3.029 171.944 174.900 0.122 0.000 1.320 733 G CA -1.091 44.035 45.100 0.043 0.000 0.860 733 G HN 0.386 nan 8.290 nan 0.000 0.538 734 P HA 0.462 nan 4.420 nan 0.000 0.269 734 P C 0.513 177.776 177.300 -0.062 0.000 1.217 734 P CA 0.628 63.788 63.100 0.099 0.000 0.783 734 P CB 0.360 32.086 31.700 0.044 0.000 0.898 735 A N 1.787 124.389 122.820 -0.363 0.000 2.386 735 A HA 0.410 4.729 4.320 -0.001 0.000 0.248 735 A C 0.173 177.608 177.584 -0.249 0.000 1.082 735 A CA 0.252 51.920 52.037 -0.614 0.000 0.789 735 A CB -0.210 18.123 19.000 -1.110 0.000 1.025 735 A HN 0.469 nan 8.150 nan 0.000 0.490 736 S N 1.994 117.585 115.700 -0.182 0.000 2.501 736 S HA 0.593 5.063 4.470 -0.001 0.000 0.301 736 S C -2.713 171.848 174.600 -0.065 0.000 1.096 736 S CA -0.988 57.162 58.200 -0.084 0.000 1.063 736 S CB 1.389 64.563 63.200 -0.044 0.000 1.042 736 S HN 0.558 nan 8.310 nan 0.000 0.494 737 P HA 0.127 nan 4.420 nan 0.000 0.268 737 P C -0.777 176.530 177.300 0.011 0.000 1.205 737 P CA -0.341 62.756 63.100 -0.005 0.000 0.771 737 P CB 0.340 32.048 31.700 0.013 0.000 0.858 738 V N 3.783 123.716 119.914 0.032 0.000 2.572 738 V HA -0.019 4.101 4.120 -0.001 0.000 0.291 738 V C 0.933 177.043 176.094 0.027 0.000 1.039 738 V CA 0.239 62.556 62.300 0.029 0.000 1.055 738 V CB -0.142 31.706 31.823 0.041 0.000 0.969 738 V HN 0.526 nan 8.190 nan 0.000 0.482 739 E N 4.294 124.504 120.200 0.017 0.000 2.217 739 E HA 0.155 4.504 4.350 -0.001 0.000 0.279 739 E C 0.477 177.087 176.600 0.015 0.000 1.068 739 E CA -0.177 56.235 56.400 0.019 0.000 0.882 739 E CB 0.829 30.538 29.700 0.016 0.000 1.039 739 E HN 0.554 nan 8.360 nan 0.000 0.418 740 L N 2.781 124.019 121.223 0.025 0.000 2.375 740 L HA 0.127 4.467 4.340 -0.001 0.000 0.215 740 L C 1.362 178.247 176.870 0.025 0.000 1.108 740 L CA 0.426 55.279 54.840 0.020 0.000 0.830 740 L CB -0.624 41.458 42.059 0.037 0.000 0.959 740 L HN 0.850 nan 8.230 nan 0.000 0.457 741 G N 0.837 109.655 108.800 0.030 0.000 2.547 741 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.271 741 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.271 741 G C -0.011 174.914 174.900 0.041 0.000 1.209 741 G CA 0.254 45.375 45.100 0.034 0.000 0.959 741 G HN 0.353 nan 8.290 nan 0.000 0.563 742 Q N 1.598 121.426 119.800 0.046 0.000 2.644 742 Q HA 0.497 4.837 4.340 -0.001 0.000 0.245 742 Q C -2.041 173.996 176.000 0.063 0.000 1.064 742 Q CA -1.594 54.240 55.803 0.052 0.000 0.860 742 Q CB 1.086 29.852 28.738 0.047 0.000 1.145 742 Q HN 0.660 nan 8.270 nan 0.000 0.515 743 P HA 0.022 nan 4.420 nan 0.000 0.272 743 P C -0.521 176.845 177.300 0.110 0.000 1.223 743 P CA -0.247 62.902 63.100 0.081 0.000 0.784 743 P CB 1.096 32.827 31.700 0.051 0.000 0.923 744 V N 2.576 122.591 119.914 0.168 0.000 2.488 744 V HA 0.112 4.232 4.120 -0.001 0.000 0.277 744 V C 0.558 176.800 176.094 0.248 0.000 1.046 744 V CA -0.237 62.182 62.300 0.199 0.000 0.986 744 V CB 1.210 33.184 31.823 0.251 0.000 0.989 744 V HN 0.274 nan 8.190 nan 0.000 0.475 745 V N 6.458 126.464 119.914 0.152 0.000 2.495 745 V HA 0.476 4.596 4.120 -0.001 0.000 0.298 745 V C -0.385 175.731 176.094 0.036 0.000 1.031 745 V CA -0.642 61.726 62.300 0.113 0.000 0.871 745 V CB 1.684 33.535 31.823 0.047 0.000 0.988 745 V HN 0.675 nan 8.190 nan 0.000 0.432 746 L N 6.632 127.870 121.223 0.025 0.000 2.313 746 L HA 0.744 5.084 4.340 -0.001 0.000 0.283 746 L C -0.645 176.113 176.870 -0.186 0.000 1.013 746 L CA 0.016 54.749 54.840 -0.178 0.000 0.816 746 L CB 1.769 43.626 42.059 -0.337 0.000 1.236 746 L HN 0.437 nan 8.230 nan 0.000 0.419 747 V N 4.056 123.851 119.914 -0.197 0.000 2.384 747 V HA 0.564 4.683 4.120 -0.001 0.000 0.287 747 V C -0.033 175.992 176.094 -0.114 0.000 1.020 747 V CA -0.393 61.812 62.300 -0.159 0.000 0.850 747 V CB 1.606 33.352 31.823 -0.127 0.000 0.987 747 V HN 0.849 nan 8.190 nan 0.000 0.436 748 T N 5.315 119.829 114.554 -0.066 0.000 2.792 748 T HA 0.447 4.796 4.350 -0.001 0.000 0.280 748 T C -0.444 174.282 174.700 0.043 0.000 0.990 748 T CA -0.576 61.540 62.100 0.026 0.000 0.960 748 T CB 1.178 70.097 68.868 0.084 0.000 0.939 748 T HN 0.658 nan 8.240 nan 0.000 0.439 749 K N 2.362 122.805 120.400 0.070 0.000 2.413 749 K HA 0.693 5.012 4.320 -0.001 0.000 0.257 749 K C -0.398 176.259 176.600 0.095 0.000 0.946 749 K CA -0.577 55.752 56.287 0.070 0.000 0.823 749 K CB 1.081 33.617 32.500 0.058 0.000 1.109 749 K HN 0.793 nan 8.250 nan 0.000 0.427 750 G N 2.106 110.959 108.800 0.088 0.000 2.680 750 G HA2 0.169 4.129 3.960 -0.001 0.000 0.290 750 G HA3 0.169 4.129 3.960 -0.001 0.000 0.290 750 G C -0.274 174.669 174.900 0.072 0.000 1.355 750 G CA -0.619 44.535 45.100 0.089 0.000 0.903 750 G HN 0.648 nan 8.290 nan 0.000 0.474 751 K N -0.416 120.022 120.400 0.064 0.000 2.155 751 K HA 0.134 4.453 4.320 -0.001 0.000 0.203 751 K C 1.559 178.194 176.600 0.058 0.000 1.052 751 K CA 0.963 57.285 56.287 0.057 0.000 0.948 751 K CB -0.136 32.394 32.500 0.051 0.000 0.728 751 K HN 0.428 nan 8.250 nan 0.000 0.448 752 L N -0.616 120.643 121.223 0.060 0.000 2.470 752 L HA 0.227 4.566 4.340 -0.001 0.000 0.219 752 L C 0.557 177.461 176.870 0.057 0.000 1.071 752 L CA 0.023 54.898 54.840 0.059 0.000 0.850 752 L CB 0.425 42.522 42.059 0.064 0.000 1.040 752 L HN 0.156 nan 8.230 nan 0.000 0.475 753 E N -0.345 119.893 120.200 0.064 0.000 2.335 753 E HA 0.424 4.773 4.350 -0.001 0.000 0.280 753 E C -1.489 175.154 176.600 0.072 0.000 0.918 753 E CA -0.232 56.206 56.400 0.064 0.000 0.765 753 E CB 2.210 31.946 29.700 0.061 0.000 1.218 753 E HN -0.130 nan 8.360 nan 0.000 0.425 754 S N 1.273 117.013 115.700 0.066 0.000 2.632 754 S HA 0.783 5.252 4.470 -0.001 0.000 0.289 754 S C -1.366 173.258 174.600 0.039 0.000 1.115 754 S CA -0.682 57.553 58.200 0.058 0.000 0.889 754 S CB 1.850 65.086 63.200 0.060 0.000 1.116 754 S HN 0.558 nan 8.310 nan 0.000 0.486 755 S N 0.421 116.121 115.700 -0.000 0.000 2.567 755 S HA 0.692 5.161 4.470 -0.001 0.000 0.270 755 S C -2.026 172.481 174.600 -0.155 0.000 1.152 755 S CA -0.594 57.578 58.200 -0.047 0.000 0.835 755 S CB 1.048 64.242 63.200 -0.011 0.000 1.115 755 S HN 0.473 nan 8.310 nan 0.000 0.459 756 V N 2.658 122.416 119.914 -0.259 0.000 2.487 756 V HA 0.736 4.855 4.120 -0.001 0.000 0.298 756 V C -0.433 175.526 176.094 -0.225 0.000 1.028 756 V CA -0.442 61.635 62.300 -0.371 0.000 0.860 756 V CB 1.543 32.828 31.823 -0.897 0.000 0.991 756 V HN 0.929 nan 8.190 nan 0.000 0.427 757 S N 3.274 118.897 115.700 -0.128 0.000 2.521 757 S HA 0.774 5.244 4.470 -0.001 0.000 0.295 757 S C -0.850 173.691 174.600 -0.100 0.000 1.098 757 S CA -0.609 57.524 58.200 -0.112 0.000 0.999 757 S CB 2.141 65.368 63.200 0.045 0.000 1.034 757 S HN 0.647 nan 8.310 nan 0.000 0.483 758 V N 2.075 121.818 119.914 -0.285 0.000 2.760 758 V HA 0.830 4.950 4.120 -0.001 0.000 0.309 758 V C -0.047 175.708 176.094 -0.565 0.000 1.077 758 V CA -0.425 61.726 62.300 -0.249 0.000 0.910 758 V CB 1.826 33.625 31.823 -0.040 0.000 1.008 758 V HN 0.996 nan 8.190 nan 0.000 0.424 759 G N 6.911 115.416 108.800 -0.493 0.000 2.546 759 G HA2 0.543 4.503 3.960 -0.001 0.000 0.320 759 G HA3 0.543 4.503 3.960 -0.001 0.000 0.320 759 G C -0.604 174.189 174.900 -0.178 0.000 0.984 759 G CA -0.337 44.516 45.100 -0.413 0.000 1.183 759 G HN 0.697 nan 8.290 nan 0.000 0.443 760 L N 2.750 123.821 121.223 -0.252 0.000 2.400 760 L HA 0.425 4.765 4.340 -0.001 0.000 0.264 760 L C -2.067 174.686 176.870 -0.196 0.000 1.061 760 L CA -2.382 52.334 54.840 -0.207 0.000 0.799 760 L CB 1.998 43.859 42.059 -0.330 0.000 1.240 760 L HN 0.210 nan 8.230 nan 0.000 0.461 761 P HA 0.096 nan 4.420 nan 0.000 0.267 761 P C 0.006 177.202 177.300 -0.173 0.000 1.209 761 P CA 0.350 63.368 63.100 -0.137 0.000 0.763 761 P CB 0.974 32.620 31.700 -0.090 0.000 0.816 762 S N -0.211 115.391 115.700 -0.163 0.000 2.929 762 S HA -0.115 4.354 4.470 -0.001 0.000 0.271 762 S C 0.202 174.686 174.600 -0.195 0.000 1.295 762 S CA 1.252 59.362 58.200 -0.149 0.000 1.277 762 S CB -1.619 61.519 63.200 -0.103 0.000 1.557 762 S HN 0.404 nan 8.310 nan 0.000 0.666 763 V N 1.171 120.914 119.914 -0.285 0.000 2.655 763 V HA 0.432 4.552 4.120 -0.001 0.000 0.301 763 V C -0.257 175.605 176.094 -0.387 0.000 1.082 763 V CA -0.813 61.275 62.300 -0.354 0.000 0.899 763 V CB 2.100 33.555 31.823 -0.614 0.000 1.014 763 V HN 0.099 nan 8.190 nan 0.000 0.429 764 V N 4.558 124.255 119.914 -0.361 0.000 2.368 764 V HA 0.311 4.430 4.120 -0.001 0.000 0.266 764 V C 0.189 176.066 176.094 -0.362 0.000 1.045 764 V CA -0.326 61.659 62.300 -0.525 0.000 0.899 764 V CB 0.707 32.106 31.823 -0.706 0.000 1.006 764 V HN 0.897 nan 8.190 nan 0.000 0.470 765 H N 5.919 124.728 119.070 -0.434 0.000 2.517 765 H HA 0.492 5.048 4.556 -0.001 0.000 0.317 765 H C -0.618 174.588 175.328 -0.203 0.000 1.080 765 H CA -0.429 55.465 56.048 -0.255 0.000 1.301 765 H CB 1.426 31.070 29.762 -0.197 0.000 1.425 765 H HN 0.715 nan 8.280 nan 0.000 0.471 766 Q N 4.185 123.682 119.800 -0.506 0.000 2.323 766 Q HA 0.295 4.634 4.340 -0.001 0.000 0.271 766 Q C -1.539 174.261 176.000 -0.332 0.000 1.048 766 Q CA -0.854 54.738 55.803 -0.352 0.000 0.792 766 Q CB 1.985 30.618 28.738 -0.175 0.000 1.280 766 Q HN 0.624 nan 8.270 nan 0.000 0.441 767 T N 4.908 119.349 114.554 -0.189 0.000 2.772 767 T HA 0.529 4.879 4.350 -0.001 0.000 0.288 767 T C -0.364 174.362 174.700 0.042 0.000 0.994 767 T CA -0.320 61.784 62.100 0.005 0.000 0.951 767 T CB 0.289 69.322 68.868 0.275 0.000 0.933 767 T HN 0.461 nan 8.240 nan 0.000 0.447 768 I N 3.664 124.272 120.570 0.063 0.000 2.404 768 I HA 0.492 4.662 4.170 -0.001 0.000 0.293 768 I C -0.186 175.983 176.117 0.087 0.000 0.992 768 I CA -0.769 60.568 61.300 0.061 0.000 1.149 768 I CB 1.714 39.740 38.000 0.043 0.000 1.315 768 I HN 0.384 nan 8.210 nan 0.000 0.446 769 M N 5.875 125.527 119.600 0.086 0.000 2.243 769 M HA 0.480 4.960 4.480 -0.001 0.000 0.324 769 M C 0.185 176.526 176.300 0.068 0.000 1.031 769 M CA -0.314 55.040 55.300 0.090 0.000 0.949 769 M CB 2.110 34.778 32.600 0.114 0.000 1.615 769 M HN 0.487 nan 8.290 nan 0.000 0.430 770 R N 1.087 121.622 120.500 0.058 0.000 2.572 770 R HA 0.355 4.694 4.340 -0.001 0.000 0.370 770 R C 0.812 177.139 176.300 0.045 0.000 1.005 770 R CA 0.255 56.383 56.100 0.047 0.000 1.146 770 R CB 1.120 31.440 30.300 0.034 0.000 1.390 770 R HN 1.138 nan 8.270 nan 0.000 0.553 771 G N -0.427 108.402 108.800 0.049 0.000 2.255 771 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.196 771 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.196 771 G C 0.291 175.212 174.900 0.035 0.000 0.998 771 G CA -0.397 44.728 45.100 0.042 0.000 0.656 771 G HN 0.513 nan 8.290 nan 0.000 0.490 772 G N -0.057 108.764 108.800 0.035 0.000 3.252 772 G HA2 0.795 4.754 3.960 -0.001 0.000 0.181 772 G HA3 0.795 4.754 3.960 -0.001 0.000 0.181 772 G C 0.408 175.327 174.900 0.032 0.000 1.187 772 G CA 0.437 45.553 45.100 0.026 0.000 0.886 772 G HN 1.517 nan 8.290 nan 0.000 0.615 773 A N 1.414 124.250 122.820 0.027 0.000 2.540 773 A HA 0.523 4.843 4.320 -0.001 0.000 0.239 773 A C -1.696 175.923 177.584 0.059 0.000 1.061 773 A CA -0.462 51.596 52.037 0.036 0.000 0.758 773 A CB -0.428 18.589 19.000 0.029 0.000 0.991 773 A HN 0.401 nan 8.150 nan 0.000 0.502 774 P HA 0.132 nan 4.420 nan 0.000 0.272 774 P C -0.493 176.875 177.300 0.114 0.000 1.240 774 P CA -0.203 62.961 63.100 0.106 0.000 0.791 774 P CB 0.653 32.439 31.700 0.143 0.000 0.978 775 E N 1.227 121.491 120.200 0.108 0.000 2.166 775 E HA 0.378 4.727 4.350 -0.001 0.000 0.275 775 E C -0.795 175.880 176.600 0.124 0.000 0.941 775 E CA -0.722 55.745 56.400 0.111 0.000 0.784 775 E CB 0.590 30.332 29.700 0.070 0.000 1.115 775 E HN 0.211 nan 8.360 nan 0.000 0.399 776 I N 4.138 124.816 120.570 0.180 0.000 2.377 776 I HA 0.424 4.593 4.170 -0.001 0.000 0.293 776 I C 0.031 176.269 176.117 0.201 0.000 0.987 776 I CA -0.619 60.769 61.300 0.146 0.000 1.185 776 I CB 1.267 39.364 38.000 0.162 0.000 1.341 776 I HN 0.565 nan 8.210 nan 0.000 0.455 777 R N 4.518 125.063 120.500 0.076 0.000 2.561 777 R HA 0.502 4.841 4.340 -0.001 0.000 0.297 777 R C -0.981 175.366 176.300 0.079 0.000 0.969 777 R CA -0.861 55.299 56.100 0.099 0.000 0.879 777 R CB 2.125 32.439 30.300 0.024 0.000 1.178 777 R HN 0.469 nan 8.270 nan 0.000 0.445 778 N N 2.503 121.304 118.700 0.170 0.000 2.399 778 N HA 0.207 4.947 4.740 -0.001 0.000 0.280 778 N C -1.334 174.179 175.510 0.005 0.000 1.008 778 N CA -0.704 52.419 53.050 0.122 0.000 0.894 778 N CB 1.918 40.575 38.487 0.283 0.000 1.273 778 N HN 0.326 nan 8.380 nan 0.000 0.486 779 L N 3.668 124.838 121.223 -0.090 0.000 2.282 779 L HA 0.389 4.728 4.340 -0.001 0.000 0.287 779 L C -1.028 175.766 176.870 -0.127 0.000 1.075 779 L CA -0.463 54.307 54.840 -0.117 0.000 0.839 779 L CB 0.455 42.434 42.059 -0.133 0.000 1.219 779 L HN 0.216 nan 8.230 nan 0.000 0.434 780 V N 4.584 124.426 119.914 -0.120 0.000 2.350 780 V HA 0.382 4.501 4.120 -0.001 0.000 0.276 780 V C -0.465 175.587 176.094 -0.071 0.000 1.028 780 V CA -0.491 61.756 62.300 -0.090 0.000 0.860 780 V CB 1.272 33.068 31.823 -0.045 0.000 0.990 780 V HN 0.690 nan 8.190 nan 0.000 0.453 781 D N 4.002 124.360 120.400 -0.069 0.000 2.375 781 D HA 0.264 4.904 4.640 -0.001 0.000 0.259 781 D C 0.560 176.835 176.300 -0.041 0.000 1.235 781 D CA -0.419 53.552 54.000 -0.047 0.000 0.924 781 D CB 1.348 42.117 40.800 -0.052 0.000 1.143 781 D HN 0.463 nan 8.370 nan 0.000 0.529 782 I N 2.423 122.985 120.570 -0.013 0.000 2.916 782 I HA 0.032 4.202 4.170 -0.001 0.000 0.267 782 I C 1.433 177.545 176.117 -0.007 0.000 1.263 782 I CA 1.150 62.449 61.300 -0.002 0.000 1.471 782 I CB -0.234 37.784 38.000 0.030 0.000 1.089 782 I HN 0.624 nan 8.210 nan 0.000 0.468 783 G N 0.807 109.600 108.800 -0.011 0.000 2.651 783 G HA2 -0.460 3.499 3.960 -0.001 0.000 0.315 783 G HA3 -0.460 3.499 3.960 -0.001 0.000 0.315 783 G C 0.639 175.541 174.900 0.003 0.000 1.258 783 G CA 0.590 45.684 45.100 -0.010 0.000 1.002 783 G HN 0.703 nan 8.290 nan 0.000 0.551 784 S N -0.047 115.655 115.700 0.003 0.000 2.583 784 S HA 0.527 4.997 4.470 -0.001 0.000 0.239 784 S C 0.836 175.445 174.600 0.014 0.000 0.966 784 S CA 0.088 58.295 58.200 0.012 0.000 0.973 784 S CB 0.025 63.234 63.200 0.014 0.000 0.794 784 S HN 0.675 nan 8.310 nan 0.000 0.463 785 L N 3.125 124.356 121.223 0.012 0.000 2.505 785 L HA 0.265 4.604 4.340 -0.001 0.000 0.279 785 L C -0.358 176.530 176.870 0.029 0.000 1.211 785 L CA -0.304 54.547 54.840 0.018 0.000 1.059 785 L CB -0.576 41.493 42.059 0.015 0.000 1.340 785 L HN 0.161 nan 8.230 nan 0.000 0.447 786 D N 2.839 123.256 120.400 0.029 0.000 2.362 786 D HA 0.019 4.658 4.640 -0.001 0.000 0.242 786 D C 0.707 177.031 176.300 0.041 0.000 1.132 786 D CA 0.056 54.077 54.000 0.035 0.000 0.907 786 D CB 0.381 41.200 40.800 0.031 0.000 1.195 786 D HN 0.316 nan 8.370 nan 0.000 0.429 787 N N 0.255 118.983 118.700 0.046 0.000 2.725 787 N HA -0.172 4.568 4.740 -0.001 0.000 0.251 787 N C -0.907 174.646 175.510 0.071 0.000 1.031 787 N CA 0.854 53.938 53.050 0.055 0.000 0.720 787 N CB -1.210 37.304 38.487 0.045 0.000 0.930 787 N HN 0.296 nan 8.380 nan 0.000 0.543 788 T N 0.451 115.050 114.554 0.076 0.000 2.916 788 T HA 0.407 4.756 4.350 -0.001 0.000 0.298 788 T C -0.297 174.468 174.700 0.108 0.000 1.031 788 T CA -0.709 61.447 62.100 0.093 0.000 0.993 788 T CB 2.344 71.253 68.868 0.069 0.000 1.045 788 T HN 0.029 nan 8.240 nan 0.000 0.454 789 E N 2.434 122.727 120.200 0.156 0.000 2.191 789 E HA 0.442 4.792 4.350 -0.001 0.000 0.263 789 E C -0.741 175.974 176.600 0.193 0.000 0.881 789 E CA -0.630 55.860 56.400 0.149 0.000 0.757 789 E CB 2.268 32.033 29.700 0.109 0.000 1.147 789 E HN 0.488 nan 8.360 nan 0.000 0.414 790 I N 2.856 123.522 120.570 0.160 0.000 2.342 790 I HA 0.221 4.391 4.170 -0.001 0.000 0.291 790 I C -0.208 176.041 176.117 0.219 0.000 1.010 790 I CA -0.722 60.685 61.300 0.178 0.000 1.308 790 I CB 1.340 39.433 38.000 0.156 0.000 1.400 790 I HN 0.198 nan 8.210 nan 0.000 0.488 791 V N 8.090 128.132 119.914 0.215 0.000 2.628 791 V HA 0.517 4.637 4.120 -0.001 0.000 0.306 791 V C -0.506 175.614 176.094 0.043 0.000 1.045 791 V CA -0.747 61.664 62.300 0.186 0.000 0.905 791 V CB 2.036 34.028 31.823 0.281 0.000 0.997 791 V HN 0.758 nan 8.190 nan 0.000 0.436 792 M N 7.129 126.681 119.600 -0.080 0.000 2.149 792 M HA 0.579 5.059 4.480 -0.001 0.000 0.342 792 M C -0.614 175.535 176.300 -0.251 0.000 1.068 792 M CA -0.444 54.580 55.300 -0.460 0.000 0.991 792 M CB 0.695 32.981 32.600 -0.524 0.000 1.596 792 M HN 0.756 nan 8.290 nan 0.000 0.439 793 R N 4.559 124.896 120.500 -0.272 0.000 2.711 793 R HA 0.713 5.053 4.340 -0.001 0.000 0.284 793 R C -1.925 174.280 176.300 -0.159 0.000 0.968 793 R CA -0.631 55.377 56.100 -0.154 0.000 0.924 793 R CB 1.520 31.745 30.300 -0.124 0.000 1.162 793 R HN 0.815 nan 8.270 nan 0.000 0.465 794 L N 3.163 124.279 121.223 -0.178 0.000 2.313 794 L HA 0.424 4.763 4.340 -0.001 0.000 0.283 794 L C -0.533 176.228 176.870 -0.182 0.000 1.013 794 L CA -0.416 54.249 54.840 -0.290 0.000 0.816 794 L CB 1.951 43.793 42.059 -0.363 0.000 1.236 794 L HN 0.600 nan 8.230 nan 0.000 0.419 795 E N 2.134 122.244 120.200 -0.150 0.000 2.158 795 E HA 0.515 4.865 4.350 -0.001 0.000 0.271 795 E C -0.584 175.965 176.600 -0.084 0.000 0.911 795 E CA -0.464 55.898 56.400 -0.064 0.000 0.767 795 E CB 2.150 31.861 29.700 0.018 0.000 1.120 795 E HN 0.625 nan 8.360 nan 0.000 0.405 796 T N -1.354 113.158 114.554 -0.069 0.000 2.804 796 T HA 0.304 4.654 4.350 -0.001 0.000 0.290 796 T C 0.436 175.142 174.700 0.010 0.000 1.099 796 T CA -0.577 61.455 62.100 -0.114 0.000 1.011 796 T CB 1.073 69.882 68.868 -0.097 0.000 1.291 796 T HN 0.554 nan 8.240 nan 0.000 0.523 797 H N -0.710 118.349 119.070 -0.018 0.000 2.497 797 H HA 0.372 4.928 4.556 -0.001 0.000 0.282 797 H C 0.538 175.866 175.328 -0.002 0.000 1.003 797 H CA -0.279 55.764 56.048 -0.009 0.000 1.307 797 H CB 0.047 29.804 29.762 -0.009 0.000 1.437 797 H HN 0.365 nan 8.280 nan 0.000 0.544 798 I N 2.497 123.129 120.570 0.103 0.000 3.163 798 I HA -0.217 3.953 4.170 -0.001 0.000 0.332 798 I C 0.399 176.558 176.117 0.071 0.000 1.205 798 I CA 0.523 61.866 61.300 0.071 0.000 1.473 798 I CB 0.184 38.214 38.000 0.050 0.000 1.300 798 I HN 0.273 nan 8.210 nan 0.000 0.532 799 D N 5.020 125.458 120.400 0.063 0.000 2.713 799 D HA 0.064 4.704 4.640 -0.001 0.000 0.229 799 D C 1.185 177.525 176.300 0.065 0.000 1.136 799 D CA -0.003 54.030 54.000 0.055 0.000 1.010 799 D CB 0.329 41.154 40.800 0.043 0.000 1.084 799 D HN 0.542 nan 8.370 nan 0.000 0.495 800 S N 0.388 116.133 115.700 0.075 0.000 2.496 800 S HA 0.225 4.695 4.470 -0.001 0.000 0.224 800 S C 1.632 176.283 174.600 0.086 0.000 0.996 800 S CA 0.328 58.586 58.200 0.096 0.000 0.927 800 S CB -0.147 63.121 63.200 0.114 0.000 0.774 800 S HN 0.517 nan 8.310 nan 0.000 0.524 801 G N 3.248 112.087 108.800 0.066 0.000 2.602 801 G HA2 -0.409 3.551 3.960 -0.001 0.000 0.310 801 G HA3 -0.409 3.551 3.960 -0.001 0.000 0.310 801 G C 0.201 175.143 174.900 0.070 0.000 1.183 801 G CA 0.678 45.813 45.100 0.059 0.000 0.979 801 G HN 0.793 nan 8.290 nan 0.000 0.545 802 D N 0.161 120.606 120.400 0.076 0.000 2.440 802 D HA 0.357 4.996 4.640 -0.001 0.000 0.216 802 D C 0.636 177.017 176.300 0.135 0.000 1.150 802 D CA -0.239 53.824 54.000 0.104 0.000 0.832 802 D CB 0.256 41.103 40.800 0.078 0.000 0.992 802 D HN 0.449 nan 8.370 nan 0.000 0.502 803 I N 1.504 122.139 120.570 0.108 0.000 2.412 803 I HA 0.499 4.668 4.170 -0.001 0.000 0.296 803 I C -0.285 175.917 176.117 0.141 0.000 0.987 803 I CA -1.049 60.260 61.300 0.015 0.000 1.180 803 I CB 0.691 38.669 38.000 -0.036 0.000 1.340 803 I HN -0.035 nan 8.210 nan 0.000 0.455 804 F N 4.531 124.305 119.950 -0.292 0.000 2.745 804 F HA 0.705 5.232 4.527 -0.001 0.000 0.316 804 F C -2.018 173.424 175.800 -0.596 0.000 1.155 804 F CA -1.416 56.430 58.000 -0.256 0.000 0.937 804 F CB 1.219 40.140 39.000 -0.132 0.000 1.361 804 F HN 0.183 nan 8.300 nan 0.000 0.472 805 Y N -0.023 120.060 120.300 -0.362 0.000 2.442 805 Y HA 0.679 5.228 4.550 -0.001 0.000 0.344 805 Y C 0.013 175.739 175.900 -0.290 0.000 0.976 805 Y CA -0.719 57.025 58.100 -0.594 0.000 1.040 805 Y CB 2.437 40.119 38.460 -1.295 0.000 1.228 805 Y HN 0.900 nan 8.280 nan 0.000 0.451 806 T N -1.419 113.065 114.554 -0.118 0.000 2.906 806 T HA 0.497 4.847 4.350 -0.001 0.000 0.295 806 T C -1.085 173.444 174.700 -0.284 0.000 1.075 806 T CA -1.062 60.991 62.100 -0.079 0.000 1.005 806 T CB 2.079 70.876 68.868 -0.119 0.000 1.136 806 T HN 0.583 nan 8.240 nan 0.000 0.498 807 D N 0.961 121.043 120.400 -0.530 0.000 2.332 807 D HA 0.380 5.020 4.640 -0.001 0.000 0.252 807 D C -0.642 175.393 176.300 -0.442 0.000 1.050 807 D CA -0.834 52.664 54.000 -0.837 0.000 0.970 807 D CB 1.326 41.367 40.800 -1.264 0.000 1.141 807 D HN 0.555 nan 8.370 nan 0.000 0.485 808 L N 0.953 121.954 121.223 -0.370 0.000 2.316 808 L HA 0.217 4.556 4.340 -0.001 0.000 0.280 808 L C -0.147 176.604 176.870 -0.200 0.000 1.006 808 L CA -0.769 53.949 54.840 -0.203 0.000 0.836 808 L CB 0.441 42.443 42.059 -0.096 0.000 1.221 808 L HN 0.462 nan 8.230 nan 0.000 0.418 809 N N 2.076 120.664 118.700 -0.186 0.000 2.714 809 N HA -0.231 4.508 4.740 -0.001 0.000 0.250 809 N C 0.973 176.274 175.510 -0.348 0.000 1.117 809 N CA 0.894 53.830 53.050 -0.190 0.000 0.719 809 N CB -1.090 37.364 38.487 -0.055 0.000 1.081 809 N HN 1.070 nan 8.380 nan 0.000 0.557 810 G N -1.591 107.008 108.800 -0.334 0.000 2.155 810 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.257 810 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.257 810 G C 0.625 175.503 174.900 -0.036 0.000 0.983 810 G CA 0.662 45.593 45.100 -0.281 0.000 0.676 810 G HN 0.482 nan 8.290 nan 0.000 0.528 811 L N -0.338 120.802 121.223 -0.140 0.000 2.467 811 L HA 0.497 4.836 4.340 -0.001 0.000 0.213 811 L C 1.000 177.750 176.870 -0.200 0.000 1.053 811 L CA 1.988 56.659 54.840 -0.282 0.000 0.847 811 L CB 0.145 41.894 42.059 -0.517 0.000 1.075 811 L HN 0.712 nan 8.230 nan 0.000 0.479 812 Q N -1.839 117.845 119.800 -0.194 0.000 2.472 812 Q HA 0.335 4.674 4.340 -0.001 0.000 0.281 812 Q C -1.679 174.194 176.000 -0.212 0.000 0.997 812 Q CA -0.731 55.023 55.803 -0.081 0.000 0.828 812 Q CB 0.988 29.741 28.738 0.024 0.000 1.443 812 Q HN -0.045 nan 8.270 nan 0.000 0.390 813 F N 1.402 121.314 119.950 -0.063 0.000 2.420 813 F HA 0.601 5.127 4.527 -0.001 0.000 0.342 813 F C -0.112 175.654 175.800 -0.057 0.000 1.113 813 F CA -0.796 57.176 58.000 -0.047 0.000 1.059 813 F CB 1.617 40.632 39.000 0.025 0.000 1.128 813 F HN 0.538 nan 8.300 nan 0.000 0.475 814 I N 3.774 124.345 120.570 0.002 0.000 2.530 814 I HA 0.338 4.507 4.170 -0.001 0.000 0.297 814 I C -0.531 175.449 176.117 -0.228 0.000 1.011 814 I CA -0.892 60.362 61.300 -0.077 0.000 1.107 814 I CB 1.332 39.237 38.000 -0.158 0.000 1.285 814 I HN 0.498 nan 8.210 nan 0.000 0.436 815 K N 6.736 126.957 120.400 -0.298 0.000 2.368 815 K HA 0.267 4.586 4.320 -0.001 0.000 0.282 815 K C -0.883 175.271 176.600 -0.743 0.000 1.035 815 K CA -0.361 55.480 56.287 -0.744 0.000 0.973 815 K CB 0.513 32.712 32.500 -0.502 0.000 0.957 815 K HN 0.511 nan 8.250 nan 0.000 0.474 816 R N 3.319 123.200 120.500 -1.032 0.000 2.664 816 R HA 0.353 4.693 4.340 -0.001 0.000 0.286 816 R C -0.512 175.284 176.300 -0.839 0.000 0.967 816 R CA -0.797 54.628 56.100 -1.126 0.000 0.933 816 R CB 1.562 30.654 30.300 -2.014 0.000 1.146 816 R HN 0.673 nan 8.270 nan 0.000 0.468 817 R N 1.555 121.781 120.500 -0.456 0.000 2.476 817 R HA 0.286 4.625 4.340 -0.001 0.000 0.305 817 R C -0.535 175.799 176.300 0.056 0.000 0.965 817 R CA -0.663 55.343 56.100 -0.157 0.000 0.867 817 R CB 1.523 31.772 30.300 -0.085 0.000 1.176 817 R HN 0.543 nan 8.270 nan 0.000 0.447 818 R N 5.109 125.749 120.500 0.233 0.000 2.484 818 R HA 0.100 4.439 4.340 -0.001 0.000 0.293 818 R C -0.907 175.478 176.300 0.141 0.000 1.023 818 R CA 0.209 56.484 56.100 0.291 0.000 1.037 818 R CB 0.364 30.826 30.300 0.269 0.000 0.951 818 R HN 0.546 nan 8.270 nan 0.000 0.418 819 L N 5.255 126.542 121.223 0.106 0.000 2.294 819 L HA 0.215 4.555 4.340 -0.001 0.000 0.283 819 L C 0.262 177.126 176.870 -0.009 0.000 1.015 819 L CA -0.652 54.206 54.840 0.028 0.000 0.831 819 L CB 1.865 43.909 42.059 -0.025 0.000 1.217 819 L HN 0.641 nan 8.230 nan 0.000 0.420 820 D N 1.701 122.103 120.400 0.003 0.000 2.363 820 D HA -0.105 4.535 4.640 -0.001 0.000 0.220 820 D C 1.686 177.969 176.300 -0.027 0.000 0.994 820 D CA 0.708 54.704 54.000 -0.006 0.000 0.890 820 D CB 0.367 41.173 40.800 0.010 0.000 0.906 820 D HN 0.564 nan 8.370 nan 0.000 0.530 821 K N 0.186 120.562 120.400 -0.041 0.000 2.486 821 K HA 0.026 4.346 4.320 -0.001 0.000 0.194 821 K C 0.696 177.236 176.600 -0.100 0.000 1.033 821 K CA 0.334 56.595 56.287 -0.044 0.000 1.004 821 K CB 0.390 32.880 32.500 -0.017 0.000 0.798 821 K HN 0.095 nan 8.250 nan 0.000 0.495 822 L N 2.182 123.308 121.223 -0.162 0.000 2.322 822 L HA 0.471 4.810 4.340 -0.001 0.000 0.269 822 L C -2.276 174.486 176.870 -0.179 0.000 1.012 822 L CA -2.924 51.776 54.840 -0.233 0.000 0.815 822 L CB 1.491 43.312 42.059 -0.397 0.000 1.295 822 L HN -0.047 nan 8.230 nan 0.000 0.438 823 P HA 0.041 nan 4.420 nan 0.000 0.274 823 P C 0.853 178.025 177.300 -0.214 0.000 1.246 823 P CA -0.392 62.607 63.100 -0.168 0.000 0.795 823 P CB 1.245 32.870 31.700 -0.125 0.000 1.006 824 L N 1.029 122.156 121.223 -0.161 0.000 2.034 824 L HA -0.288 4.052 4.340 -0.001 0.000 0.217 824 L C 2.485 179.256 176.870 -0.165 0.000 1.077 824 L CA 1.971 56.736 54.840 -0.125 0.000 0.769 824 L CB -0.594 41.387 42.059 -0.131 0.000 0.890 824 L HN 0.449 nan 8.230 nan 0.000 0.435 825 Q N -0.368 119.227 119.800 -0.342 0.000 2.291 825 Q HA -0.163 4.176 4.340 -0.001 0.000 0.205 825 Q C 1.862 177.763 176.000 -0.165 0.000 0.970 825 Q CA 1.489 57.126 55.803 -0.277 0.000 0.876 825 Q CB -0.483 28.018 28.738 -0.395 0.000 0.935 825 Q HN 0.609 nan 8.270 nan 0.000 0.455 826 A N 1.470 123.984 122.820 -0.510 0.000 2.067 826 A HA -0.037 4.283 4.320 -0.001 0.000 0.217 826 A C 1.636 179.042 177.584 -0.297 0.000 1.156 826 A CA 0.737 52.328 52.037 -0.743 0.000 0.683 826 A CB -0.188 18.011 19.000 -1.336 0.000 0.808 826 A HN 0.349 nan 8.150 nan 0.000 0.455 827 N N -1.109 117.526 118.700 -0.108 0.000 2.398 827 N HA 0.048 4.787 4.740 -0.001 0.000 0.188 827 N C -0.846 174.758 175.510 0.155 0.000 1.122 827 N CA 0.220 53.322 53.050 0.086 0.000 0.866 827 N CB 0.051 38.639 38.487 0.168 0.000 0.970 827 N HN 0.445 nan 8.380 nan 0.000 0.462 828 Y N 0.290 120.547 120.300 -0.071 0.000 2.304 828 Y HA 0.211 4.760 4.550 -0.001 0.000 0.328 828 Y C -0.181 175.662 175.900 -0.096 0.000 1.123 828 Y CA -0.204 57.939 58.100 0.072 0.000 1.218 828 Y CB 0.377 38.958 38.460 0.202 0.000 1.207 828 Y HN -0.068 nan 8.280 nan 0.000 0.495 829 Y N 3.208 123.644 120.300 0.227 0.000 2.605 829 Y HA 0.459 5.008 4.550 -0.001 0.000 0.343 829 Y C -2.298 173.302 175.900 -0.500 0.000 1.036 829 Y CA -2.889 55.198 58.100 -0.022 0.000 1.065 829 Y CB 1.552 39.994 38.460 -0.029 0.000 1.288 829 Y HN 0.430 nan 8.280 nan 0.000 0.481 830 P HA 0.148 nan 4.420 nan 0.000 0.271 830 P C -0.599 176.458 177.300 -0.404 0.000 1.216 830 P CA 0.203 62.713 63.100 -0.984 0.000 0.776 830 P CB 0.682 31.618 31.700 -1.273 0.000 0.881 831 I N 4.743 125.156 120.570 -0.261 0.000 2.778 831 I HA 0.161 4.331 4.170 -0.001 0.000 0.285 831 I C -1.607 174.438 176.117 -0.120 0.000 1.236 831 I CA -2.466 58.755 61.300 -0.132 0.000 1.089 831 I CB 0.689 38.668 38.000 -0.035 0.000 1.601 831 I HN 0.195 nan 8.210 nan 0.000 0.573 832 P HA -0.073 nan 4.420 nan 0.000 0.221 832 P C 1.009 178.276 177.300 -0.054 0.000 1.150 832 P CA 1.248 64.275 63.100 -0.122 0.000 0.800 832 P CB 0.597 32.196 31.700 -0.168 0.000 0.787 833 S N -3.513 112.161 115.700 -0.042 0.000 2.551 833 S HA 0.447 4.916 4.470 -0.001 0.000 0.276 833 S C 0.494 175.181 174.600 0.146 0.000 1.051 833 S CA 0.306 58.537 58.200 0.052 0.000 1.377 833 S CB 0.245 63.495 63.200 0.084 0.000 1.208 833 S HN 0.342 nan 8.310 nan 0.000 0.656 834 G N 1.578 110.469 108.800 0.151 0.000 2.489 834 G HA2 0.559 4.518 3.960 -0.001 0.000 0.291 834 G HA3 0.559 4.518 3.960 -0.001 0.000 0.291 834 G C -1.439 173.714 174.900 0.421 0.000 1.487 834 G CA -0.425 44.893 45.100 0.362 0.000 0.795 834 G HN 0.917 nan 8.290 nan 0.000 0.513 835 M N -0.490 119.374 119.600 0.440 0.000 2.534 835 M HA 0.891 5.371 4.480 -0.001 0.000 0.280 835 M C -1.718 174.816 176.300 0.390 0.000 1.217 835 M CA -1.030 54.486 55.300 0.360 0.000 0.893 835 M CB 2.538 35.259 32.600 0.202 0.000 1.730 835 M HN 1.221 nan 8.290 nan 0.000 0.483 836 F N 0.838 120.932 119.950 0.240 0.000 2.693 836 F HA 0.902 5.429 4.527 -0.001 0.000 0.309 836 F C -1.869 174.063 175.800 0.220 0.000 1.129 836 F CA -1.221 56.859 58.000 0.134 0.000 0.948 836 F CB 1.095 40.086 39.000 -0.015 0.000 1.315 836 F HN 0.784 nan 8.300 nan 0.000 0.447 837 I N -0.129 120.684 120.570 0.406 0.000 2.785 837 I HA 0.890 5.059 4.170 -0.001 0.000 0.302 837 I C -1.391 174.913 176.117 0.312 0.000 1.069 837 I CA -0.878 60.619 61.300 0.329 0.000 1.045 837 I CB 2.401 40.507 38.000 0.177 0.000 1.236 837 I HN 0.951 nan 8.210 nan 0.000 0.429 838 E N 2.217 122.585 120.200 0.281 0.000 2.430 838 E HA 0.557 4.907 4.350 -0.001 0.000 0.279 838 E C -2.045 174.638 176.600 0.140 0.000 1.003 838 E CA -0.836 55.670 56.400 0.176 0.000 0.801 838 E CB 2.255 32.045 29.700 0.150 0.000 1.313 838 E HN 0.739 nan 8.360 nan 0.000 0.459 839 D N 0.561 121.012 120.400 0.085 0.000 2.784 839 D HA 0.462 5.101 4.640 -0.001 0.000 0.256 839 D C 0.835 177.163 176.300 0.048 0.000 1.129 839 D CA -0.193 53.849 54.000 0.070 0.000 1.102 839 D CB 0.042 40.876 40.800 0.056 0.000 1.330 839 D HN 0.447 nan 8.370 nan 0.000 0.626 840 A N -0.799 122.042 122.820 0.036 0.000 2.019 840 A HA -0.130 4.190 4.320 -0.001 0.000 0.219 840 A C 1.451 179.039 177.584 0.007 0.000 1.164 840 A CA 1.415 53.465 52.037 0.022 0.000 0.644 840 A CB -0.695 18.317 19.000 0.019 0.000 0.805 840 A HN 0.505 nan 8.150 nan 0.000 0.449 841 N N -1.713 116.991 118.700 0.006 0.000 2.382 841 N HA 0.073 4.812 4.740 -0.001 0.000 0.200 841 N C -0.449 175.050 175.510 -0.018 0.000 1.122 841 N CA 0.672 53.717 53.050 -0.007 0.000 0.870 841 N CB 0.685 39.170 38.487 -0.004 0.000 1.176 841 N HN 0.282 nan 8.380 nan 0.000 0.474 842 T N 0.612 115.161 114.554 -0.009 0.000 2.893 842 T HA 0.459 4.809 4.350 -0.001 0.000 0.293 842 T C -0.577 174.115 174.700 -0.014 0.000 1.027 842 T CA -0.630 61.458 62.100 -0.019 0.000 0.988 842 T CB 2.810 71.672 68.868 -0.009 0.000 1.043 842 T HN -0.047 nan 8.240 nan 0.000 0.461 843 R N 1.930 122.404 120.500 -0.044 0.000 2.686 843 R HA 0.727 5.067 4.340 -0.001 0.000 0.283 843 R C -1.953 174.320 176.300 -0.045 0.000 0.978 843 R CA -0.906 55.167 56.100 -0.044 0.000 0.897 843 R CB 1.267 31.475 30.300 -0.153 0.000 1.192 843 R HN 0.441 nan 8.270 nan 0.000 0.457 844 L N 2.719 123.945 121.223 0.005 0.000 2.343 844 L HA 0.485 4.825 4.340 -0.001 0.000 0.278 844 L C -1.324 175.583 176.870 0.062 0.000 0.996 844 L CA 0.084 54.922 54.840 -0.002 0.000 0.831 844 L CB 2.199 44.245 42.059 -0.023 0.000 1.232 844 L HN 0.632 nan 8.230 nan 0.000 0.413 845 T N 5.643 120.211 114.554 0.024 0.000 2.807 845 T HA 0.539 4.889 4.350 -0.001 0.000 0.279 845 T C -0.988 173.773 174.700 0.101 0.000 0.993 845 T CA -0.271 61.883 62.100 0.090 0.000 0.970 845 T CB 1.378 70.224 68.868 -0.036 0.000 0.950 845 T HN 0.428 nan 8.240 nan 0.000 0.441 846 L N 5.374 126.693 121.223 0.160 0.000 2.294 846 L HA 0.513 4.852 4.340 -0.001 0.000 0.283 846 L C -1.207 175.805 176.870 0.237 0.000 1.015 846 L CA -0.684 54.261 54.840 0.174 0.000 0.831 846 L CB 0.388 42.532 42.059 0.140 0.000 1.217 846 L HN 0.413 nan 8.230 nan 0.000 0.420 847 L N 3.888 125.251 121.223 0.234 0.000 2.343 847 L HA 0.628 4.967 4.340 -0.001 0.000 0.275 847 L C 0.586 177.601 176.870 0.242 0.000 1.056 847 L CA -0.241 54.736 54.840 0.229 0.000 0.804 847 L CB 1.367 43.528 42.059 0.169 0.000 1.203 847 L HN 0.754 nan 8.230 nan 0.000 0.440 848 T N -2.349 112.302 114.554 0.161 0.000 2.908 848 T HA 0.619 4.968 4.350 -0.001 0.000 0.290 848 T C 0.674 175.335 174.700 -0.066 0.000 1.034 848 T CA -0.290 61.816 62.100 0.011 0.000 1.010 848 T CB 1.960 70.836 68.868 0.013 0.000 1.068 848 T HN 0.676 nan 8.240 nan 0.000 0.481 849 G N 1.101 109.789 108.800 -0.187 0.000 3.284 849 G HA2 0.422 4.381 3.960 -0.001 0.000 0.236 849 G HA3 0.422 4.381 3.960 -0.001 0.000 0.236 849 G C 0.132 174.972 174.900 -0.099 0.000 1.158 849 G CA -0.333 44.694 45.100 -0.121 0.000 0.774 849 G HN 0.952 nan 8.290 nan 0.000 0.545 850 Q N -0.177 119.557 119.800 -0.110 0.000 2.479 850 Q HA 0.290 4.629 4.340 -0.001 0.000 0.276 850 Q C -3.534 172.426 176.000 -0.066 0.000 0.989 850 Q CA -2.244 53.519 55.803 -0.067 0.000 0.864 850 Q CB 1.747 30.457 28.738 -0.045 0.000 1.444 850 Q HN -0.000 nan 8.270 nan 0.000 0.388 851 P HA 0.445 nan 4.420 nan 0.000 0.276 851 P C -0.697 176.586 177.300 -0.029 0.000 1.235 851 P CA -0.127 62.953 63.100 -0.034 0.000 0.772 851 P CB 0.966 32.652 31.700 -0.022 0.000 0.871 852 L N 1.726 122.926 121.223 -0.037 0.000 2.403 852 L HA 0.692 5.031 4.340 -0.001 0.000 0.253 852 L C 0.733 177.615 176.870 0.021 0.000 1.045 852 L CA -1.119 53.721 54.840 -0.000 0.000 0.845 852 L CB 2.136 44.181 42.059 -0.024 0.000 1.447 852 L HN 0.345 nan 8.230 nan 0.000 0.411 853 G N -1.009 107.858 108.800 0.112 0.000 2.425 853 G HA2 0.695 4.654 3.960 -0.001 0.000 0.302 853 G HA3 0.695 4.654 3.960 -0.001 0.000 0.302 853 G C -0.566 174.349 174.900 0.024 0.000 1.159 853 G CA 0.034 45.248 45.100 0.191 0.000 0.865 853 G HN 0.862 nan 8.290 nan 0.000 0.515 854 G N -1.417 107.214 108.800 -0.281 0.000 2.606 854 G HA2 0.702 4.662 3.960 -0.001 0.000 0.300 854 G HA3 0.702 4.662 3.960 -0.001 0.000 0.300 854 G C -1.149 173.296 174.900 -0.758 0.000 1.360 854 G CA 0.445 45.183 45.100 -0.604 0.000 0.783 854 G HN 1.333 nan 8.290 nan 0.000 0.484 855 S N -1.982 113.352 115.700 -0.609 0.000 2.683 855 S HA 0.702 5.172 4.470 -0.001 0.000 0.269 855 S C -1.641 172.521 174.600 -0.730 0.000 1.165 855 S CA 0.375 58.219 58.200 -0.594 0.000 0.840 855 S CB 1.196 64.128 63.200 -0.447 0.000 1.169 855 S HN 1.597 nan 8.310 nan 0.000 0.490 856 S N 1.546 116.547 115.700 -1.165 0.000 2.745 856 S HA 0.493 4.962 4.470 -0.001 0.000 0.283 856 S C 0.089 174.439 174.600 -0.417 0.000 1.170 856 S CA -0.636 57.122 58.200 -0.736 0.000 1.119 856 S CB 0.056 62.749 63.200 -0.845 0.000 1.035 856 S HN 0.573 nan 8.310 nan 0.000 0.483 857 L N 3.172 124.293 121.223 -0.171 0.000 2.591 857 L HA 0.504 4.844 4.340 -0.001 0.000 0.228 857 L C 0.842 177.705 176.870 -0.011 0.000 1.133 857 L CA 0.244 55.062 54.840 -0.037 0.000 0.880 857 L CB 0.007 42.101 42.059 0.058 0.000 1.033 857 L HN 0.698 nan 8.230 nan 0.000 0.450 858 A N -1.175 121.626 122.820 -0.032 0.000 2.604 858 A HA 0.455 4.775 4.320 -0.001 0.000 0.295 858 A C -0.458 177.122 177.584 -0.005 0.000 1.067 858 A CA -0.446 51.589 52.037 -0.004 0.000 0.683 858 A CB 1.220 20.224 19.000 0.007 0.000 1.281 858 A HN -0.137 nan 8.150 nan 0.000 0.407 859 S N -0.001 115.710 115.700 0.018 0.000 2.563 859 S HA 0.402 4.872 4.470 -0.001 0.000 0.294 859 S C 1.511 176.127 174.600 0.027 0.000 1.279 859 S CA 1.865 60.083 58.200 0.030 0.000 1.069 859 S CB -0.056 63.166 63.200 0.037 0.000 0.828 859 S HN 2.662 nan 8.310 nan 0.000 0.497 860 G N 3.408 112.226 108.800 0.030 0.000 2.179 860 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.260 860 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.260 860 G C -0.171 174.723 174.900 -0.010 0.000 0.977 860 G CA 0.458 45.574 45.100 0.027 0.000 0.641 860 G HN 0.720 nan 8.290 nan 0.000 0.533 861 E N -0.558 119.622 120.200 -0.033 0.000 2.212 861 E HA 0.788 5.138 4.350 -0.001 0.000 0.270 861 E C -0.221 176.315 176.600 -0.106 0.000 0.956 861 E CA -0.763 55.596 56.400 -0.069 0.000 0.825 861 E CB 1.846 31.505 29.700 -0.068 0.000 1.167 861 E HN 0.235 nan 8.360 nan 0.000 0.400 862 L N 1.583 122.737 121.223 -0.114 0.000 2.409 862 L HA 0.474 4.814 4.340 -0.001 0.000 0.262 862 L C -0.716 176.083 176.870 -0.120 0.000 0.992 862 L CA -0.635 54.127 54.840 -0.129 0.000 0.817 862 L CB 2.093 44.106 42.059 -0.076 0.000 1.350 862 L HN 0.673 nan 8.230 nan 0.000 0.411 863 E N 2.893 123.016 120.200 -0.130 0.000 2.390 863 E HA 0.705 5.055 4.350 -0.001 0.000 0.277 863 E C -1.593 174.961 176.600 -0.076 0.000 0.939 863 E CA -0.842 55.513 56.400 -0.074 0.000 0.769 863 E CB 3.355 33.055 29.700 0.000 0.000 1.251 863 E HN 0.532 nan 8.360 nan 0.000 0.450 864 I N 2.097 122.659 120.570 -0.014 0.000 2.644 864 I HA 0.338 4.507 4.170 -0.001 0.000 0.291 864 I C -1.425 174.755 176.117 0.105 0.000 1.180 864 I CA -1.129 60.184 61.300 0.022 0.000 1.040 864 I CB 1.978 39.996 38.000 0.030 0.000 1.255 864 I HN 0.791 nan 8.210 nan 0.000 0.422 865 M N 6.203 125.900 119.600 0.163 0.000 2.238 865 M HA 0.229 4.709 4.480 -0.001 0.000 0.347 865 M C 0.544 176.940 176.300 0.159 0.000 1.173 865 M CA 0.631 56.034 55.300 0.173 0.000 1.147 865 M CB 0.939 33.615 32.600 0.128 0.000 1.547 865 M HN 0.585 nan 8.290 nan 0.000 0.455 866 Q N 1.372 121.299 119.800 0.211 0.000 2.304 866 Q HA 0.264 4.604 4.340 -0.001 0.000 0.204 866 Q C -0.276 175.920 176.000 0.328 0.000 0.936 866 Q CA 0.775 56.769 55.803 0.318 0.000 0.878 866 Q CB 0.425 29.379 28.738 0.360 0.000 0.983 866 Q HN 0.767 nan 8.270 nan 0.000 0.516 867 D N -0.903 119.624 120.400 0.211 0.000 2.710 867 D HA 0.272 4.912 4.640 -0.001 0.000 0.276 867 D C -1.449 174.917 176.300 0.111 0.000 1.267 867 D CA -0.465 53.637 54.000 0.169 0.000 0.772 867 D CB 1.415 42.307 40.800 0.154 0.000 1.299 867 D HN 0.046 nan 8.370 nan 0.000 0.421 868 R N 0.796 121.350 120.500 0.090 0.000 2.584 868 R HA 0.678 5.017 4.340 -0.001 0.000 0.276 868 R C -1.105 175.236 176.300 0.067 0.000 1.046 868 R CA -1.046 55.091 56.100 0.062 0.000 0.906 868 R CB 2.103 32.410 30.300 0.013 0.000 1.215 868 R HN 0.315 nan 8.270 nan 0.000 0.449 869 R N 3.812 124.349 120.500 0.063 0.000 2.476 869 R HA 0.499 4.838 4.340 -0.001 0.000 0.305 869 R C -1.461 174.871 176.300 0.054 0.000 0.965 869 R CA -0.594 55.541 56.100 0.058 0.000 0.867 869 R CB 1.329 31.661 30.300 0.053 0.000 1.176 869 R HN 0.715 nan 8.270 nan 0.000 0.447 870 L N 3.784 125.037 121.223 0.050 0.000 2.409 870 L HA 0.533 4.872 4.340 -0.001 0.000 0.272 870 L C 0.634 177.528 176.870 0.040 0.000 0.980 870 L CA -0.579 54.288 54.840 0.046 0.000 0.826 870 L CB 2.186 44.272 42.059 0.044 0.000 1.268 870 L HN 0.807 nan 8.230 nan 0.000 0.407 871 A N 1.458 124.300 122.820 0.035 0.000 2.072 871 A HA 0.198 4.518 4.320 -0.001 0.000 0.216 871 A C 0.893 178.494 177.584 0.028 0.000 1.156 871 A CA 0.534 52.589 52.037 0.031 0.000 0.701 871 A CB 0.033 19.049 19.000 0.027 0.000 0.816 871 A HN 0.616 nan 8.150 nan 0.000 0.458 872 S N -0.075 115.641 115.700 0.027 0.000 2.638 872 S HA 0.429 4.898 4.470 -0.001 0.000 0.298 872 S C -0.647 173.971 174.600 0.029 0.000 1.111 872 S CA -0.669 57.545 58.200 0.024 0.000 1.027 872 S CB 1.495 64.705 63.200 0.017 0.000 1.064 872 S HN 0.480 nan 8.310 nan 0.000 0.525 873 D N 0.164 120.581 120.400 0.030 0.000 2.304 873 D HA 0.250 4.890 4.640 -0.001 0.000 0.247 873 D C -0.185 176.134 176.300 0.031 0.000 1.089 873 D CA -0.460 53.566 54.000 0.042 0.000 0.910 873 D CB 0.702 41.526 40.800 0.041 0.000 1.199 873 D HN 0.499 nan 8.370 nan 0.000 0.426 874 D N 1.801 122.226 120.400 0.040 0.000 2.525 874 D HA 0.066 4.706 4.640 -0.001 0.000 0.229 874 D C -0.360 175.915 176.300 -0.043 0.000 1.202 874 D CA -0.289 53.706 54.000 -0.008 0.000 0.828 874 D CB -0.462 40.321 40.800 -0.028 0.000 1.008 874 D HN 0.692 nan 8.370 nan 0.000 0.493 875 E N -0.303 119.894 120.200 -0.004 0.000 2.791 875 E HA -0.226 4.124 4.350 -0.001 0.000 0.271 875 E C 0.317 176.899 176.600 -0.030 0.000 1.044 875 E CA 0.232 56.628 56.400 -0.007 0.000 0.814 875 E CB -0.725 28.966 29.700 -0.015 0.000 1.400 875 E HN 0.203 nan 8.360 nan 0.000 0.423 876 R N -0.604 119.857 120.500 -0.065 0.000 2.509 876 R HA 0.211 4.551 4.340 -0.001 0.000 0.300 876 R C 1.416 177.799 176.300 0.137 0.000 0.985 876 R CA 0.716 56.716 56.100 -0.166 0.000 1.092 876 R CB 0.965 30.772 30.300 -0.822 0.000 1.237 876 R HN 0.413 nan 8.270 nan 0.000 0.546 877 G N 0.715 109.661 108.800 0.243 0.000 2.218 877 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.216 877 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.216 877 G C 0.764 175.752 174.900 0.147 0.000 0.994 877 G CA 0.227 45.537 45.100 0.350 0.000 0.637 877 G HN 0.296 nan 8.290 nan 0.000 0.505 878 L N 1.500 122.916 121.223 0.321 0.000 2.093 878 L HA 0.431 4.771 4.340 -0.001 0.000 0.208 878 L C 2.219 179.074 176.870 -0.026 0.000 1.085 878 L CA 2.879 57.800 54.840 0.136 0.000 0.755 878 L CB -0.613 41.680 42.059 0.390 0.000 0.904 878 L HN 1.745 nan 8.230 nan 0.000 0.435 879 G N -0.557 108.262 108.800 0.033 0.000 2.160 879 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.251 879 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.251 879 G C 0.074 174.981 174.900 0.012 0.000 1.008 879 G CA 0.636 45.738 45.100 0.003 0.000 0.724 879 G HN 0.814 nan 8.290 nan 0.000 0.514 880 Q N -2.105 117.717 119.800 0.036 0.000 2.633 880 Q HA 0.674 5.014 4.340 -0.001 0.000 0.289 880 Q C 0.388 176.417 176.000 0.048 0.000 0.940 880 Q CA -0.578 55.246 55.803 0.035 0.000 0.785 880 Q CB 0.400 29.158 28.738 0.032 0.000 1.467 880 Q HN 0.973 nan 8.270 nan 0.000 0.401 881 G N 0.004 108.829 108.800 0.042 0.000 2.531 881 G HA2 0.518 4.478 3.960 -0.001 0.000 0.253 881 G HA3 0.518 4.478 3.960 -0.001 0.000 0.253 881 G C -0.978 173.951 174.900 0.048 0.000 1.439 881 G CA -0.629 44.497 45.100 0.043 0.000 1.056 881 G HN 0.409 nan 8.290 nan 0.000 0.555 882 V N 0.797 120.741 119.914 0.049 0.000 2.305 882 V HA 0.349 4.469 4.120 -0.001 0.000 0.275 882 V C 0.013 176.142 176.094 0.059 0.000 1.020 882 V CA -0.169 62.167 62.300 0.060 0.000 0.811 882 V CB 0.959 32.820 31.823 0.062 0.000 1.031 882 V HN 0.542 nan 8.190 nan 0.000 0.439 883 L N 3.567 124.825 121.223 0.057 0.000 3.358 883 L HA 0.330 4.669 4.340 -0.001 0.000 0.301 883 L C 0.525 177.425 176.870 0.051 0.000 1.276 883 L CA 0.010 54.880 54.840 0.049 0.000 1.028 883 L CB 0.745 42.828 42.059 0.040 0.000 1.421 883 L HN 0.669 nan 8.230 nan 0.000 0.604 884 D N -2.127 118.311 120.400 0.065 0.000 2.559 884 D HA 0.051 4.690 4.640 -0.001 0.000 0.234 884 D C 0.189 176.532 176.300 0.073 0.000 1.226 884 D CA -0.415 53.624 54.000 0.066 0.000 0.830 884 D CB -0.189 40.658 40.800 0.078 0.000 1.028 884 D HN 0.056 nan 8.370 nan 0.000 0.492 885 N N 1.902 120.643 118.700 0.068 0.000 2.395 885 N HA 0.042 4.781 4.740 -0.001 0.000 0.246 885 N C 0.343 175.867 175.510 0.023 0.000 1.246 885 N CA 0.657 53.747 53.050 0.067 0.000 0.879 885 N CB 0.899 39.422 38.487 0.059 0.000 1.098 885 N HN 0.435 nan 8.380 nan 0.000 0.444 886 K N -0.095 120.306 120.400 0.001 0.000 2.536 886 K HA 0.532 4.852 4.320 -0.001 0.000 0.269 886 K C -3.245 173.332 176.600 -0.038 0.000 0.965 886 K CA -1.828 54.419 56.287 -0.066 0.000 0.860 886 K CB 1.186 33.570 32.500 -0.193 0.000 1.423 886 K HN 0.076 nan 8.250 nan 0.000 0.438 887 P HA -0.007 nan 4.420 nan 0.000 0.265 887 P C -1.074 176.245 177.300 0.032 0.000 1.193 887 P CA -0.429 62.653 63.100 -0.029 0.000 0.765 887 P CB 0.761 32.433 31.700 -0.047 0.000 0.823 888 V N 5.052 124.952 119.914 -0.025 0.000 2.841 888 V HA 0.458 4.577 4.120 -0.001 0.000 0.310 888 V C -1.315 174.649 176.094 -0.216 0.000 1.090 888 V CA -1.096 61.167 62.300 -0.061 0.000 0.930 888 V CB 2.135 33.906 31.823 -0.088 0.000 1.014 888 V HN 0.285 nan 8.190 nan 0.000 0.425 889 L N 7.044 128.165 121.223 -0.171 0.000 2.270 889 L HA 0.584 4.923 4.340 -0.001 0.000 0.286 889 L C -0.319 176.519 176.870 -0.054 0.000 1.059 889 L CA 0.149 54.919 54.840 -0.118 0.000 0.839 889 L CB 0.205 42.218 42.059 -0.076 0.000 1.221 889 L HN 0.699 nan 8.230 nan 0.000 0.431 890 H N 5.560 124.642 119.070 0.021 0.000 2.582 890 H HA 0.475 5.030 4.556 -0.001 0.000 0.345 890 H C -0.053 175.181 175.328 -0.157 0.000 1.104 890 H CA -0.151 55.858 56.048 -0.065 0.000 1.390 890 H CB 1.171 30.962 29.762 0.048 0.000 1.461 890 H HN 0.692 nan 8.280 nan 0.000 0.551 891 I N 0.107 120.518 120.570 -0.265 0.000 2.785 891 I HA 0.623 4.793 4.170 -0.001 0.000 0.302 891 I C -1.405 174.361 176.117 -0.585 0.000 1.069 891 I CA -0.965 60.192 61.300 -0.239 0.000 1.045 891 I CB 2.196 40.145 38.000 -0.084 0.000 1.236 891 I HN 0.247 nan 8.210 nan 0.000 0.429 892 Y N 2.106 122.451 120.300 0.077 0.000 2.638 892 Y HA 0.691 5.241 4.550 -0.001 0.000 0.335 892 Y C -0.671 175.279 175.900 0.083 0.000 1.155 892 Y CA -1.094 57.058 58.100 0.086 0.000 1.046 892 Y CB 1.501 40.033 38.460 0.119 0.000 1.303 892 Y HN 0.418 nan 8.280 nan 0.000 0.460 893 R N 1.359 122.018 120.500 0.264 0.000 2.686 893 R HA 0.606 4.945 4.340 -0.001 0.000 0.286 893 R C -1.929 174.480 176.300 0.182 0.000 0.969 893 R CA -1.128 55.078 56.100 0.177 0.000 0.898 893 R CB 2.571 32.935 30.300 0.108 0.000 1.183 893 R HN 0.657 nan 8.270 nan 0.000 0.456 894 L N 2.660 123.971 121.223 0.147 0.000 2.316 894 L HA 0.428 4.767 4.340 -0.001 0.000 0.280 894 L C -1.211 175.687 176.870 0.046 0.000 1.006 894 L CA -0.547 54.355 54.840 0.104 0.000 0.836 894 L CB 1.756 43.888 42.059 0.122 0.000 1.221 894 L HN 0.302 nan 8.230 nan 0.000 0.418 895 V N 6.211 126.136 119.914 0.019 0.000 2.326 895 V HA 0.403 4.523 4.120 -0.001 0.000 0.281 895 V C -0.331 175.736 176.094 -0.044 0.000 1.015 895 V CA -0.577 61.714 62.300 -0.015 0.000 0.823 895 V CB 1.378 33.185 31.823 -0.027 0.000 1.009 895 V HN 0.636 nan 8.190 nan 0.000 0.436 896 L N 5.499 126.692 121.223 -0.050 0.000 2.282 896 L HA 0.700 5.039 4.340 -0.001 0.000 0.288 896 L C -0.159 176.671 176.870 -0.067 0.000 1.033 896 L CA 0.651 55.453 54.840 -0.063 0.000 0.807 896 L CB 1.095 43.113 42.059 -0.068 0.000 1.209 896 L HN 0.737 nan 8.230 nan 0.000 0.423 897 E N 3.624 123.777 120.200 -0.078 0.000 2.408 897 E HA 0.459 4.808 4.350 -0.001 0.000 0.275 897 E C -1.294 175.260 176.600 -0.077 0.000 0.935 897 E CA -1.209 55.141 56.400 -0.082 0.000 0.775 897 E CB 1.556 31.190 29.700 -0.110 0.000 1.277 897 E HN 0.257 nan 8.360 nan 0.000 0.455 898 K N 1.406 121.765 120.400 -0.069 0.000 2.201 898 K HA 0.219 4.538 4.320 -0.001 0.000 0.278 898 K C 0.356 176.912 176.600 -0.072 0.000 1.027 898 K CA -0.225 56.025 56.287 -0.060 0.000 0.909 898 K CB 1.392 33.862 32.500 -0.050 0.000 1.062 898 K HN 0.480 nan 8.250 nan 0.000 0.465 899 V N -0.444 119.428 119.914 -0.070 0.000 3.346 899 V HA 0.021 4.141 4.120 -0.001 0.000 0.309 899 V C 1.185 177.244 176.094 -0.058 0.000 1.457 899 V CA -0.262 61.990 62.300 -0.081 0.000 1.069 899 V CB -0.303 31.455 31.823 -0.108 0.000 0.944 899 V HN 0.605 nan 8.190 nan 0.000 0.449 900 N N 1.890 120.564 118.700 -0.042 0.000 2.289 900 N HA -0.217 4.522 4.740 -0.001 0.000 0.184 900 N C 1.112 176.602 175.510 -0.033 0.000 1.016 900 N CA 2.058 55.090 53.050 -0.030 0.000 0.872 900 N CB -0.635 37.838 38.487 -0.023 0.000 0.973 900 N HN 0.722 nan 8.380 nan 0.000 0.433 901 N N -0.599 118.077 118.700 -0.041 0.000 2.336 901 N HA 0.117 4.857 4.740 -0.001 0.000 0.189 901 N C -0.340 175.140 175.510 -0.050 0.000 1.113 901 N CA -0.293 52.732 53.050 -0.041 0.000 0.858 901 N CB 0.348 38.811 38.487 -0.041 0.000 0.970 901 N HN 0.145 nan 8.380 nan 0.000 0.471 902 c N 1.230 119.794 118.600 -0.060 0.000 2.601 902 c HA 0.227 4.796 4.570 -0.001 0.000 0.409 902 c C 0.913 174.966 174.090 -0.062 0.000 1.293 902 c CA -0.964 55.322 56.329 -0.073 0.000 2.101 902 c CB 0.544 42.996 42.510 -0.096 0.000 2.639 902 c HN 0.046 nan 8.230 nan 0.000 0.592 903 V N 5.345 125.219 119.914 -0.067 0.000 2.372 903 V HA 0.235 4.354 4.120 -0.001 0.000 0.261 903 V C 0.596 176.654 176.094 -0.060 0.000 1.055 903 V CA 0.316 62.582 62.300 -0.057 0.000 0.930 903 V CB -0.512 31.273 31.823 -0.063 0.000 1.031 903 V HN 0.802 nan 8.190 nan 0.000 0.479 904 R N 4.562 125.039 120.500 -0.039 0.000 2.758 904 R HA 0.561 4.901 4.340 -0.001 0.000 0.265 904 R C -2.462 173.832 176.300 -0.010 0.000 1.016 904 R CA -1.858 54.227 56.100 -0.025 0.000 1.040 904 R CB 1.092 31.381 30.300 -0.019 0.000 1.152 904 R HN 0.402 nan 8.270 nan 0.000 0.503 905 P HA -0.033 nan 4.420 nan 0.000 0.270 905 P C -0.363 176.973 177.300 0.059 0.000 1.223 905 P CA -0.207 62.876 63.100 -0.028 0.000 0.785 905 P CB 0.598 32.201 31.700 -0.160 0.000 0.923 906 S N 1.011 116.774 115.700 0.104 0.000 2.596 906 S HA 0.072 4.542 4.470 -0.001 0.000 0.260 906 S C 1.107 175.785 174.600 0.130 0.000 1.336 906 S CA -0.131 58.133 58.200 0.107 0.000 0.993 906 S CB 0.300 63.565 63.200 0.109 0.000 0.923 906 S HN 0.315 nan 8.310 nan 0.000 0.567 907 K N 0.268 120.727 120.400 0.099 0.000 2.211 907 K HA -0.001 4.319 4.320 -0.001 0.000 0.204 907 K C 1.535 178.190 176.600 0.092 0.000 1.047 907 K CA 1.336 57.678 56.287 0.092 0.000 0.935 907 K CB -0.561 31.978 32.500 0.064 0.000 0.728 907 K HN 0.552 nan 8.250 nan 0.000 0.452 908 L N 0.038 121.318 121.223 0.095 0.000 2.592 908 L HA 0.037 4.377 4.340 -0.001 0.000 0.227 908 L C 1.035 177.960 176.870 0.092 0.000 1.127 908 L CA -0.211 54.671 54.840 0.070 0.000 0.884 908 L CB -0.231 41.855 42.059 0.044 0.000 1.065 908 L HN 0.237 nan 8.230 nan 0.000 0.457 909 H N 2.596 121.702 119.070 0.060 0.000 2.803 909 H HA 0.095 4.651 4.556 -0.001 0.000 0.330 909 H C -1.659 173.707 175.328 0.065 0.000 1.057 909 H CA -1.420 54.676 56.048 0.079 0.000 1.458 909 H CB 1.808 31.643 29.762 0.122 0.000 1.470 909 H HN -0.077 nan 8.280 nan 0.000 0.560 910 P HA 0.132 nan 4.420 nan 0.000 0.249 910 P C -0.350 177.061 177.300 0.185 0.000 1.229 910 P CA 0.194 63.341 63.100 0.077 0.000 0.788 910 P CB 0.483 32.150 31.700 -0.054 0.000 1.072 911 A N -0.365 122.731 122.820 0.459 0.000 2.288 911 A HA 0.762 5.082 4.320 -0.001 0.000 0.328 911 A C 0.253 177.887 177.584 0.084 0.000 1.123 911 A CA -0.296 51.872 52.037 0.219 0.000 0.861 911 A CB 1.086 20.203 19.000 0.196 0.000 1.272 911 A HN 0.167 nan 8.150 nan 0.000 0.490 912 G N -1.489 107.233 108.800 -0.130 0.000 2.658 912 G HA2 0.638 4.598 3.960 -0.001 0.000 0.292 912 G HA3 0.638 4.598 3.960 -0.001 0.000 0.292 912 G C -1.868 172.653 174.900 -0.630 0.000 1.320 912 G CA -0.410 44.526 45.100 -0.274 0.000 0.933 912 G HN 0.532 nan 8.290 nan 0.000 0.476 913 Y N -0.940 119.326 120.300 -0.056 0.000 2.534 913 Y HA 0.498 5.048 4.550 -0.001 0.000 0.345 913 Y C 0.302 175.969 175.900 -0.389 0.000 1.031 913 Y CA -0.851 57.151 58.100 -0.163 0.000 1.022 913 Y CB 2.002 40.357 38.460 -0.176 0.000 1.292 913 Y HN 0.359 nan 8.280 nan 0.000 0.459 914 L N 2.009 123.074 121.223 -0.262 0.000 2.466 914 L HA 0.442 4.781 4.340 -0.001 0.000 0.257 914 L C 0.680 177.400 176.870 -0.250 0.000 1.189 914 L CA -0.596 54.008 54.840 -0.394 0.000 0.813 914 L CB 0.888 42.788 42.059 -0.266 0.000 1.118 914 L HN 0.796 nan 8.230 nan 0.000 0.471 915 T N -2.475 111.923 114.554 -0.261 0.000 2.847 915 T HA 0.168 4.517 4.350 -0.001 0.000 0.279 915 T C 1.119 175.764 174.700 -0.092 0.000 0.984 915 T CA -0.650 61.344 62.100 -0.176 0.000 0.988 915 T CB 1.432 70.193 68.868 -0.178 0.000 1.040 915 T HN 0.527 nan 8.240 nan 0.000 0.528 916 S N 0.790 116.448 115.700 -0.069 0.000 2.365 916 S HA -0.138 4.331 4.470 -0.001 0.000 0.225 916 S C 2.486 177.092 174.600 0.010 0.000 1.039 916 S CA 1.385 59.576 58.200 -0.015 0.000 1.033 916 S CB -1.088 62.088 63.200 -0.040 0.000 0.887 916 S HN 0.899 nan 8.310 nan 0.000 0.447 917 A N 1.199 124.002 122.820 -0.028 0.000 1.933 917 A HA 0.108 4.427 4.320 -0.001 0.000 0.218 917 A C 2.301 179.876 177.584 -0.015 0.000 1.175 917 A CA 1.748 53.772 52.037 -0.022 0.000 0.628 917 A CB -0.918 18.059 19.000 -0.038 0.000 0.814 917 A HN 0.531 nan 8.150 nan 0.000 0.444 918 A N -1.492 121.307 122.820 -0.035 0.000 1.929 918 A HA -0.129 4.191 4.320 -0.001 0.000 0.216 918 A C 2.098 179.708 177.584 0.042 0.000 1.176 918 A CA 1.481 53.500 52.037 -0.029 0.000 0.628 918 A CB -0.888 18.038 19.000 -0.122 0.000 0.816 918 A HN 0.770 nan 8.150 nan 0.000 0.444 919 H N 0.087 119.138 119.070 -0.031 0.000 2.321 919 H HA -0.063 4.492 4.556 -0.001 0.000 0.300 919 H C 1.842 177.201 175.328 0.052 0.000 1.087 919 H CA 1.854 57.920 56.048 0.030 0.000 1.319 919 H CB -0.039 29.735 29.762 0.020 0.000 1.379 919 H HN 0.424 nan 8.280 nan 0.000 0.501 920 K N 0.182 120.540 120.400 -0.070 0.000 2.097 920 K HA -0.076 4.243 4.320 -0.001 0.000 0.206 920 K C 2.385 178.945 176.600 -0.067 0.000 1.049 920 K CA 0.863 57.088 56.287 -0.103 0.000 0.933 920 K CB -0.040 32.450 32.500 -0.016 0.000 0.717 920 K HN 0.278 nan 8.250 nan 0.000 0.442 921 A N 0.765 123.571 122.820 -0.024 0.000 1.933 921 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 921 A C 2.189 179.773 177.584 0.000 0.000 1.175 921 A CA 2.000 54.036 52.037 -0.000 0.000 0.628 921 A CB -0.615 18.399 19.000 0.024 0.000 0.814 921 A HN 0.278 nan 8.150 nan 0.000 0.444 922 S N -0.642 115.061 115.700 0.006 0.000 2.368 922 S HA -0.227 4.243 4.470 -0.001 0.000 0.225 922 S C 2.128 176.713 174.600 -0.026 0.000 1.030 922 S CA 1.674 59.894 58.200 0.032 0.000 0.999 922 S CB -0.403 62.863 63.200 0.109 0.000 0.844 922 S HN 0.680 nan 8.310 nan 0.000 0.459 923 Q N 0.657 120.394 119.800 -0.105 0.000 2.170 923 Q HA -0.090 4.250 4.340 -0.001 0.000 0.203 923 Q C 2.488 178.435 176.000 -0.088 0.000 0.976 923 Q CA 1.649 57.391 55.803 -0.103 0.000 0.858 923 Q CB -0.318 28.337 28.738 -0.138 0.000 0.907 923 Q HN 0.810 nan 8.270 nan 0.000 0.433 924 S N 0.334 115.992 115.700 -0.069 0.000 2.423 924 S HA -0.087 4.382 4.470 -0.001 0.000 0.231 924 S C 1.868 176.412 174.600 -0.094 0.000 1.014 924 S CA 0.706 58.862 58.200 -0.072 0.000 0.965 924 S CB -0.252 62.925 63.200 -0.039 0.000 0.785 924 S HN 0.286 nan 8.310 nan 0.000 0.495 925 L N 0.061 121.239 121.223 -0.074 0.000 2.127 925 L HA 0.203 4.543 4.340 -0.001 0.000 0.203 925 L C 2.522 179.316 176.870 -0.127 0.000 1.080 925 L CA 0.772 55.563 54.840 -0.082 0.000 0.768 925 L CB -0.384 41.650 42.059 -0.042 0.000 0.924 925 L HN 0.287 nan 8.230 nan 0.000 0.444 926 L N -1.198 119.953 121.223 -0.119 0.000 2.202 926 L HA 0.029 4.369 4.340 -0.001 0.000 0.205 926 L C 0.236 176.955 176.870 -0.252 0.000 1.083 926 L CA 0.785 55.536 54.840 -0.149 0.000 0.790 926 L CB 0.082 42.087 42.059 -0.091 0.000 0.942 926 L HN 0.201 nan 8.230 nan 0.000 0.452 927 D N 0.338 120.577 120.400 -0.267 0.000 2.739 927 D HA 0.225 4.865 4.640 -0.001 0.000 0.335 927 D C -2.316 173.745 176.300 -0.398 0.000 1.216 927 D CA -0.967 52.798 54.000 -0.391 0.000 0.808 927 D CB 1.175 41.943 40.800 -0.054 0.000 1.121 927 D HN 0.078 nan 8.370 nan 0.000 0.499 928 P HA 0.088 nan 4.420 nan 0.000 0.274 928 P C 0.575 177.726 177.300 -0.249 0.000 1.260 928 P CA -0.445 62.471 63.100 -0.306 0.000 0.793 928 P CB 1.505 33.033 31.700 -0.285 0.000 1.048 929 L N 0.744 121.883 121.223 -0.139 0.000 2.485 929 L HA 0.094 4.434 4.340 -0.001 0.000 0.275 929 L C 0.942 177.788 176.870 -0.039 0.000 1.207 929 L CA 0.382 55.188 54.840 -0.058 0.000 0.855 929 L CB -0.293 41.754 42.059 -0.020 0.000 1.114 929 L HN 0.290 nan 8.230 nan 0.000 0.485 930 D N 2.955 123.406 120.400 0.085 0.000 2.225 930 D HA 0.339 4.978 4.640 -0.001 0.000 0.249 930 D C -0.357 175.964 176.300 0.036 0.000 1.052 930 D CA -0.311 53.709 54.000 0.033 0.000 0.909 930 D CB 1.704 42.591 40.800 0.145 0.000 1.186 930 D HN 0.366 nan 8.370 nan 0.000 0.431 931 K N 1.322 121.635 120.400 -0.145 0.000 2.345 931 K HA 0.472 4.792 4.320 -0.001 0.000 0.255 931 K C -1.036 175.516 176.600 -0.080 0.000 0.934 931 K CA -0.662 55.660 56.287 0.058 0.000 0.801 931 K CB 1.617 34.109 32.500 -0.013 0.000 1.137 931 K HN 0.227 nan 8.250 nan 0.000 0.424 932 F N 2.607 122.764 119.950 0.345 0.000 2.507 932 F HA 0.487 5.013 4.527 -0.001 0.000 0.325 932 F C 0.024 176.120 175.800 0.493 0.000 1.116 932 F CA -0.882 57.315 58.000 0.328 0.000 0.930 932 F CB 1.277 40.303 39.000 0.043 0.000 1.146 932 F HN 0.196 nan 8.300 nan 0.000 0.447 933 I N 3.641 124.601 120.570 0.649 0.000 2.339 933 I HA 0.205 4.375 4.170 -0.001 0.000 0.290 933 I C -0.500 175.889 176.117 0.454 0.000 0.994 933 I CA -0.839 60.759 61.300 0.496 0.000 1.191 933 I CB 1.137 39.329 38.000 0.320 0.000 1.343 933 I HN 0.438 nan 8.210 nan 0.000 0.458 934 F N 5.887 125.991 119.950 0.256 0.000 2.578 934 F HA 0.142 4.668 4.527 -0.001 0.000 0.381 934 F C 1.230 176.943 175.800 -0.147 0.000 1.069 934 F CA 0.041 57.890 58.000 -0.253 0.000 1.231 934 F CB 1.107 39.992 39.000 -0.193 0.000 1.086 934 F HN 0.599 nan 8.300 nan 0.000 0.564 935 A N 4.443 126.656 122.820 -1.012 0.000 2.072 935 A HA 0.059 4.378 4.320 -0.001 0.000 0.216 935 A C 0.913 178.192 177.584 -0.509 0.000 1.156 935 A CA 0.561 52.227 52.037 -0.617 0.000 0.701 935 A CB -0.410 18.249 19.000 -0.570 0.000 0.816 935 A HN 0.800 nan 8.150 nan 0.000 0.458 936 E N -0.819 118.915 120.200 -0.775 0.000 2.504 936 E HA 0.218 4.567 4.350 -0.001 0.000 0.253 936 E C 0.162 176.854 176.600 0.153 0.000 1.151 936 E CA -0.785 55.504 56.400 -0.185 0.000 0.972 936 E CB 0.314 29.983 29.700 -0.051 0.000 1.247 936 E HN 0.159 nan 8.360 nan 0.000 0.519 937 N N 0.508 119.323 118.700 0.192 0.000 2.300 937 N HA -0.072 4.668 4.740 -0.001 0.000 0.179 937 N C -0.315 175.356 175.510 0.269 0.000 1.016 937 N CA 0.881 54.058 53.050 0.212 0.000 0.876 937 N CB 0.250 38.815 38.487 0.131 0.000 0.979 937 N HN 0.430 nan 8.380 nan 0.000 0.432 938 E N -0.597 119.785 120.200 0.303 0.000 2.275 938 E HA 0.100 4.450 4.350 -0.001 0.000 0.270 938 E C -1.548 175.122 176.600 0.117 0.000 0.882 938 E CA -0.717 55.780 56.400 0.161 0.000 0.758 938 E CB 1.198 30.956 29.700 0.096 0.000 1.195 938 E HN -0.015 nan 8.360 nan 0.000 0.419 939 W N 7.824 128.786 121.300 -0.564 0.000 2.317 939 W HA 0.400 5.059 4.660 -0.001 0.000 0.327 939 W C -1.288 175.023 176.519 -0.347 0.000 1.036 939 W CA -1.435 55.409 57.345 -0.835 0.000 1.419 939 W CB -0.162 28.366 29.460 -1.554 0.000 1.253 939 W HN 0.478 nan 8.180 nan 0.000 0.392 940 I N 5.975 126.643 120.570 0.164 0.000 2.496 940 I HA 0.250 4.419 4.170 -0.001 0.000 0.285 940 I C 1.519 177.644 176.117 0.014 0.000 1.080 940 I CA 1.253 62.584 61.300 0.050 0.000 1.404 940 I CB 0.630 38.684 38.000 0.090 0.000 1.403 940 I HN 0.783 nan 8.210 nan 0.000 0.539 941 G N 4.271 112.992 108.800 -0.132 0.000 2.143 941 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.249 941 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.249 941 G C 0.440 175.112 174.900 -0.379 0.000 0.981 941 G CA -0.089 44.915 45.100 -0.161 0.000 0.665 941 G HN 1.018 nan 8.290 nan 0.000 0.528 942 A N -0.451 121.871 122.820 -0.830 0.000 2.531 942 A HA 0.538 4.858 4.320 -0.001 0.000 0.236 942 A C 0.588 177.762 177.584 -0.684 0.000 1.062 942 A CA 0.930 52.132 52.037 -1.392 0.000 0.760 942 A CB 0.222 18.029 19.000 -1.989 0.000 0.995 942 A HN 0.665 nan 8.150 nan 0.000 0.501 943 Q N 0.624 120.098 119.800 -0.542 0.000 2.351 943 Q HA 0.531 4.870 4.340 -0.001 0.000 0.273 943 Q C 1.083 176.978 176.000 -0.175 0.000 1.077 943 Q CA -0.260 55.391 55.803 -0.254 0.000 0.843 943 Q CB 1.950 30.608 28.738 -0.132 0.000 1.367 943 Q HN 0.788 nan 8.270 nan 0.000 0.449 944 G N 0.049 108.782 108.800 -0.111 0.000 2.603 944 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.214 944 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.214 944 G C 0.197 175.078 174.900 -0.031 0.000 1.140 944 G CA 0.594 45.645 45.100 -0.082 0.000 0.800 944 G HN 0.443 nan 8.290 nan 0.000 0.533 945 Q N -1.495 118.302 119.800 -0.006 0.000 2.527 945 Q HA 0.524 4.864 4.340 -0.001 0.000 0.280 945 Q C -2.381 173.642 176.000 0.037 0.000 0.977 945 Q CA -0.937 54.876 55.803 0.017 0.000 0.837 945 Q CB 2.121 30.853 28.738 -0.010 0.000 1.454 945 Q HN 0.045 nan 8.270 nan 0.000 0.387 946 F N 1.153 121.016 119.950 -0.144 0.000 2.569 946 F HA 0.640 5.167 4.527 -0.001 0.000 0.312 946 F C 0.493 176.052 175.800 -0.401 0.000 1.109 946 F CA 0.481 58.331 58.000 -0.251 0.000 0.919 946 F CB 2.073 40.936 39.000 -0.227 0.000 1.211 946 F HN 0.689 nan 8.300 nan 0.000 0.446 947 G N 3.018 110.823 108.800 -1.658 0.000 2.157 947 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.239 947 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.239 947 G C 1.071 175.325 174.900 -1.077 0.000 0.982 947 G CA 0.269 44.199 45.100 -1.949 0.000 0.650 947 G HN 1.586 nan 8.290 nan 0.000 0.527 948 G N 1.223 109.675 108.800 -0.579 0.000 2.479 948 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.220 948 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.220 948 G C 1.226 176.062 174.900 -0.107 0.000 1.115 948 G CA 1.804 46.786 45.100 -0.196 0.000 0.757 948 G HN 0.854 nan 8.290 nan 0.000 0.560 949 D N -0.713 119.539 120.400 -0.247 0.000 2.340 949 D HA 0.022 4.662 4.640 -0.001 0.000 0.217 949 D C 0.093 176.384 176.300 -0.015 0.000 1.081 949 D CA -0.435 53.511 54.000 -0.090 0.000 0.842 949 D CB -0.439 40.313 40.800 -0.080 0.000 0.934 949 D HN 0.179 nan 8.370 nan 0.000 0.511 950 H N 1.577 120.538 119.070 -0.181 0.000 2.652 950 H HA 0.343 4.899 4.556 -0.001 0.000 0.349 950 H C -1.984 173.311 175.328 -0.055 0.000 1.099 950 H CA -2.160 53.806 56.048 -0.137 0.000 1.417 950 H CB 0.130 29.762 29.762 -0.216 0.000 1.457 950 H HN 0.026 nan 8.280 nan 0.000 0.568 951 P HA -0.003 nan 4.420 nan 0.000 0.268 951 P C -0.222 177.144 177.300 0.109 0.000 1.205 951 P CA -0.040 63.120 63.100 0.101 0.000 0.771 951 P CB 0.699 32.436 31.700 0.063 0.000 0.858 952 S N 2.176 117.974 115.700 0.163 0.000 2.434 952 S HA 0.577 5.047 4.470 -0.001 0.000 0.318 952 S C -0.005 174.695 174.600 0.167 0.000 1.062 952 S CA -0.568 57.756 58.200 0.207 0.000 1.116 952 S CB -0.686 62.747 63.200 0.388 0.000 0.977 952 S HN 0.490 nan 8.310 nan 0.000 0.480 953 A N 4.402 127.312 122.820 0.150 0.000 2.332 953 A HA 0.515 4.834 4.320 -0.001 0.000 0.258 953 A C 0.552 178.189 177.584 0.088 0.000 1.087 953 A CA -0.565 51.537 52.037 0.109 0.000 0.802 953 A CB 0.221 19.284 19.000 0.104 0.000 1.042 953 A HN 0.904 nan 8.150 nan 0.000 0.489 954 R N 0.048 120.570 120.500 0.037 0.000 2.697 954 R HA -0.044 4.296 4.340 -0.001 0.000 0.265 954 R C 1.458 177.750 176.300 -0.013 0.000 1.009 954 R CA 0.968 57.061 56.100 -0.011 0.000 1.099 954 R CB 0.329 30.612 30.300 -0.029 0.000 0.965 954 R HN 0.923 nan 8.270 nan 0.000 0.428 955 E N 1.823 121.974 120.200 -0.081 0.000 2.209 955 E HA -0.237 4.113 4.350 -0.001 0.000 0.196 955 E C 0.308 176.922 176.600 0.025 0.000 0.993 955 E CA 1.595 57.925 56.400 -0.116 0.000 0.819 955 E CB -0.070 29.544 29.700 -0.144 0.000 0.745 955 E HN 0.762 nan 8.360 nan 0.000 0.477 956 D N 0.616 120.996 120.400 -0.033 0.000 2.340 956 D HA -0.001 4.639 4.640 -0.001 0.000 0.220 956 D C 0.356 176.645 176.300 -0.019 0.000 1.039 956 D CA -0.107 53.834 54.000 -0.097 0.000 0.866 956 D CB -0.030 40.660 40.800 -0.183 0.000 0.913 956 D HN 0.175 nan 8.370 nan 0.000 0.523 957 L N 0.770 122.028 121.223 0.058 0.000 2.309 957 L HA 0.530 4.870 4.340 -0.001 0.000 0.282 957 L C -1.154 175.834 176.870 0.196 0.000 1.036 957 L CA -0.459 54.436 54.840 0.091 0.000 0.806 957 L CB 1.670 43.773 42.059 0.072 0.000 1.220 957 L HN -0.209 nan 8.230 nan 0.000 0.429 958 D N 2.419 122.957 120.400 0.230 0.000 2.671 958 D HA 0.359 4.999 4.640 -0.001 0.000 0.232 958 D C -1.343 175.112 176.300 0.259 0.000 1.114 958 D CA -0.273 53.887 54.000 0.267 0.000 0.858 958 D CB 2.396 43.398 40.800 0.336 0.000 1.544 958 D HN 0.238 nan 8.370 nan 0.000 0.471 959 V N 3.564 123.610 119.914 0.220 0.000 2.299 959 V HA 0.124 4.244 4.120 -0.001 0.000 0.255 959 V C 1.281 177.507 176.094 0.219 0.000 1.100 959 V CA 0.019 62.460 62.300 0.236 0.000 0.938 959 V CB 0.436 32.388 31.823 0.215 0.000 1.139 959 V HN 0.602 nan 8.190 nan 0.000 0.490 960 S N 3.195 119.052 115.700 0.261 0.000 2.382 960 S HA -0.013 4.456 4.470 -0.001 0.000 0.228 960 S C 0.654 175.305 174.600 0.084 0.000 1.027 960 S CA 0.859 59.167 58.200 0.180 0.000 0.991 960 S CB 0.166 63.529 63.200 0.271 0.000 0.823 960 S HN 0.498 nan 8.310 nan 0.000 0.469 961 V N 1.413 121.416 119.914 0.148 0.000 2.760 961 V HA 0.531 4.651 4.120 -0.001 0.000 0.309 961 V C -0.798 175.363 176.094 0.112 0.000 1.077 961 V CA -0.569 61.794 62.300 0.106 0.000 0.910 961 V CB 1.925 33.835 31.823 0.145 0.000 1.008 961 V HN 0.369 nan 8.190 nan 0.000 0.424 962 M N 5.481 125.066 119.600 -0.024 0.000 2.204 962 M HA 0.682 5.161 4.480 -0.001 0.000 0.293 962 M C -1.102 175.030 176.300 -0.281 0.000 0.994 962 M CA -0.488 54.665 55.300 -0.246 0.000 0.925 962 M CB 1.513 33.972 32.600 -0.234 0.000 1.577 962 M HN 0.753 nan 8.290 nan 0.000 0.439 963 R N 4.097 124.361 120.500 -0.394 0.000 2.510 963 R HA 0.428 4.768 4.340 -0.001 0.000 0.287 963 R C -1.431 174.643 176.300 -0.378 0.000 1.084 963 R CA -0.686 55.233 56.100 -0.301 0.000 0.934 963 R CB 1.848 32.055 30.300 -0.155 0.000 1.201 963 R HN 0.905 nan 8.270 nan 0.000 0.431 964 R N 4.542 124.875 120.500 -0.279 0.000 2.442 964 R HA 0.141 4.481 4.340 -0.001 0.000 0.291 964 R C 0.178 176.369 176.300 -0.182 0.000 1.069 964 R CA 0.048 56.011 56.100 -0.228 0.000 1.022 964 R CB 0.626 30.846 30.300 -0.135 0.000 0.976 964 R HN 0.707 nan 8.270 nan 0.000 0.443 965 L N 3.032 124.141 121.223 -0.190 0.000 2.616 965 L HA 0.139 4.478 4.340 -0.001 0.000 0.229 965 L C 0.341 177.161 176.870 -0.083 0.000 1.110 965 L CA 0.046 54.796 54.840 -0.149 0.000 0.884 965 L CB 0.413 42.352 42.059 -0.200 0.000 1.115 965 L HN 0.718 nan 8.230 nan 0.000 0.481 966 T N -2.720 111.795 114.554 -0.064 0.000 2.885 966 T HA 0.454 4.804 4.350 -0.001 0.000 0.285 966 T C -0.224 174.469 174.700 -0.011 0.000 1.019 966 T CA -0.914 61.167 62.100 -0.033 0.000 1.010 966 T CB 2.408 71.262 68.868 -0.023 0.000 1.022 966 T HN -0.082 nan 8.240 nan 0.000 0.466 967 K N 0.881 121.280 120.400 -0.001 0.000 2.117 967 K HA 0.344 4.663 4.320 -0.001 0.000 0.240 967 K C 1.659 178.273 176.600 0.024 0.000 1.031 967 K CA -0.301 55.996 56.287 0.018 0.000 0.909 967 K CB 0.594 33.103 32.500 0.015 0.000 1.097 967 K HN 0.797 nan 8.250 nan 0.000 0.492 968 S N -0.467 115.256 115.700 0.038 0.000 2.442 968 S HA -0.112 4.357 4.470 -0.001 0.000 0.236 968 S C 1.454 176.069 174.600 0.025 0.000 1.007 968 S CA 1.229 59.450 58.200 0.035 0.000 0.965 968 S CB -0.115 63.112 63.200 0.045 0.000 0.773 968 S HN 0.465 nan 8.310 nan 0.000 0.504 969 S N 1.758 117.471 115.700 0.022 0.000 2.561 969 S HA 0.448 4.917 4.470 -0.001 0.000 0.225 969 S C 0.876 175.484 174.600 0.013 0.000 0.977 969 S CA 0.311 58.522 58.200 0.018 0.000 0.926 969 S CB -0.315 62.896 63.200 0.018 0.000 0.769 969 S HN 0.790 nan 8.310 nan 0.000 0.533 970 A N 1.924 124.750 122.820 0.010 0.000 2.451 970 A HA 0.271 4.590 4.320 -0.001 0.000 0.266 970 A C 1.329 178.919 177.584 0.010 0.000 1.119 970 A CA -0.316 51.724 52.037 0.005 0.000 0.786 970 A CB 0.190 19.190 19.000 -0.000 0.000 1.061 970 A HN 0.335 nan 8.150 nan 0.000 0.503 971 K N 1.805 122.210 120.400 0.008 0.000 2.063 971 K HA -0.095 4.224 4.320 -0.001 0.000 0.208 971 K C 0.094 176.703 176.600 0.015 0.000 1.048 971 K CA 1.704 57.998 56.287 0.011 0.000 0.928 971 K CB -0.035 32.469 32.500 0.007 0.000 0.713 971 K HN 0.652 nan 8.250 nan 0.000 0.442 972 T N 2.406 116.966 114.554 0.010 0.000 2.753 972 T HA 0.189 4.538 4.350 -0.001 0.000 0.297 972 T C -0.869 173.843 174.700 0.021 0.000 0.981 972 T CA -0.712 61.396 62.100 0.013 0.000 0.956 972 T CB 1.464 70.329 68.868 -0.003 0.000 0.936 972 T HN 0.084 nan 8.240 nan 0.000 0.463 973 Q N 2.739 122.570 119.800 0.051 0.000 2.340 973 Q HA 0.420 4.760 4.340 -0.001 0.000 0.249 973 Q C 0.073 176.123 176.000 0.083 0.000 0.957 973 Q CA 0.017 55.855 55.803 0.057 0.000 0.882 973 Q CB 1.341 30.118 28.738 0.066 0.000 1.235 973 Q HN 0.550 nan 8.270 nan 0.000 0.439 974 R N 0.307 120.824 120.500 0.028 0.000 2.628 974 R HA 0.672 5.011 4.340 -0.001 0.000 0.288 974 R C -1.098 175.156 176.300 -0.078 0.000 0.980 974 R CA -0.674 55.427 56.100 0.002 0.000 0.891 974 R CB 1.875 32.143 30.300 -0.053 0.000 1.188 974 R HN 0.255 nan 8.270 nan 0.000 0.450 975 V N 1.423 121.285 119.914 -0.086 0.000 2.588 975 V HA 0.600 4.720 4.120 -0.001 0.000 0.304 975 V C 0.132 175.951 176.094 -0.458 0.000 1.042 975 V CA -0.843 61.277 62.300 -0.300 0.000 0.877 975 V CB 2.082 33.734 31.823 -0.284 0.000 0.996 975 V HN 0.947 nan 8.190 nan 0.000 0.425 976 G N 2.947 111.279 108.800 -0.780 0.000 2.371 976 G HA2 0.668 4.627 3.960 -0.001 0.000 0.326 976 G HA3 0.668 4.627 3.960 -0.001 0.000 0.326 976 G C -1.669 172.790 174.900 -0.735 0.000 1.127 976 G CA -0.291 44.186 45.100 -1.038 0.000 0.885 976 G HN 0.502 nan 8.290 nan 0.000 0.477 977 Y N 0.373 120.736 120.300 0.106 0.000 2.442 977 Y HA 0.460 5.009 4.550 -0.001 0.000 0.344 977 Y C -0.160 176.003 175.900 0.437 0.000 0.976 977 Y CA -0.910 57.352 58.100 0.270 0.000 1.040 977 Y CB 2.742 41.328 38.460 0.210 0.000 1.228 977 Y HN 0.343 nan 8.280 nan 0.000 0.451 978 V N 5.149 125.355 119.914 0.485 0.000 2.347 978 V HA 0.366 4.485 4.120 -0.001 0.000 0.280 978 V C -0.372 175.945 176.094 0.372 0.000 1.021 978 V CA -0.718 61.794 62.300 0.354 0.000 0.847 978 V CB 1.361 33.343 31.823 0.265 0.000 0.990 978 V HN 0.627 nan 8.190 nan 0.000 0.444 979 L N 5.290 126.719 121.223 0.344 0.000 2.296 979 L HA 0.563 4.903 4.340 -0.001 0.000 0.286 979 L C -0.385 176.676 176.870 0.320 0.000 1.023 979 L CA -0.405 54.629 54.840 0.324 0.000 0.812 979 L CB 1.245 43.493 42.059 0.315 0.000 1.223 979 L HN 0.674 nan 8.230 nan 0.000 0.421 980 H N 5.268 124.484 119.070 0.244 0.000 2.529 980 H HA 0.389 4.944 4.556 -0.001 0.000 0.348 980 H C -1.312 174.096 175.328 0.133 0.000 1.079 980 H CA -0.818 55.345 56.048 0.190 0.000 1.198 980 H CB 1.987 31.928 29.762 0.298 0.000 1.521 980 H HN 0.546 nan 8.280 nan 0.000 0.514 981 R N 3.892 124.022 120.500 -0.617 0.000 2.387 981 R HA 0.216 4.556 4.340 -0.001 0.000 0.314 981 R C -0.423 175.443 176.300 -0.724 0.000 0.958 981 R CA -0.378 55.441 56.100 -0.468 0.000 0.846 981 R CB 1.786 31.939 30.300 -0.244 0.000 1.147 981 R HN 0.674 nan 8.270 nan 0.000 0.447 982 T N 1.480 115.771 114.554 -0.438 0.000 2.833 982 T HA 0.206 4.556 4.350 -0.001 0.000 0.292 982 T C -0.547 173.979 174.700 -0.290 0.000 1.031 982 T CA -0.474 61.463 62.100 -0.272 0.000 0.937 982 T CB 0.643 69.436 68.868 -0.125 0.000 1.256 982 T HN 0.679 nan 8.240 nan 0.000 0.551 983 N N 0.637 119.192 118.700 -0.241 0.000 2.399 983 N HA 0.476 5.215 4.740 -0.001 0.000 0.284 983 N C -1.464 173.887 175.510 -0.265 0.000 1.025 983 N CA -0.496 52.353 53.050 -0.336 0.000 0.885 983 N CB 0.663 38.796 38.487 -0.589 0.000 1.339 983 N HN 0.470 nan 8.380 nan 0.000 0.487 984 L N 2.625 123.689 121.223 -0.265 0.000 2.331 984 L HA 0.544 4.883 4.340 -0.001 0.000 0.275 984 L C 0.536 177.284 176.870 -0.204 0.000 1.022 984 L CA -0.964 53.754 54.840 -0.203 0.000 0.812 984 L CB 1.588 43.535 42.059 -0.187 0.000 1.257 984 L HN 0.384 nan 8.230 nan 0.000 0.435 985 M N 2.047 121.547 119.600 -0.167 0.000 2.245 985 M HA 0.092 4.572 4.480 -0.001 0.000 0.344 985 M C -0.199 176.017 176.300 -0.141 0.000 1.170 985 M CA -0.061 55.145 55.300 -0.158 0.000 1.135 985 M CB 0.484 32.997 32.600 -0.145 0.000 1.574 985 M HN 0.458 nan 8.290 nan 0.000 0.452 986 Q N 1.909 121.631 119.800 -0.130 0.000 2.322 986 Q HA 0.213 4.552 4.340 -0.001 0.000 0.256 986 Q C -0.340 175.605 176.000 -0.092 0.000 0.960 986 Q CA 0.057 55.796 55.803 -0.106 0.000 0.934 986 Q CB 1.060 29.739 28.738 -0.098 0.000 1.200 986 Q HN 0.804 nan 8.270 nan 0.000 0.435 987 c N 0.706 119.254 118.600 -0.086 0.000 2.976 987 c HA 0.388 4.958 4.570 -0.001 0.000 0.274 987 c C 1.289 175.342 174.090 -0.062 0.000 1.487 987 c CA 0.031 56.314 56.329 -0.076 0.000 1.789 987 c CB -0.400 42.059 42.510 -0.085 0.000 2.771 987 c HN 1.023 nan 8.230 nan 0.000 0.551 988 G N 1.221 109.986 108.800 -0.058 0.000 2.176 988 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.232 988 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.232 988 G C 0.013 174.887 174.900 -0.045 0.000 0.986 988 G CA 0.306 45.378 45.100 -0.047 0.000 0.643 988 G HN 0.440 nan 8.290 nan 0.000 0.522 989 T N 1.965 116.489 114.554 -0.051 0.000 2.743 989 T HA 0.474 4.823 4.350 -0.001 0.000 0.293 989 T C -0.498 174.174 174.700 -0.048 0.000 0.945 989 T CA -0.494 61.577 62.100 -0.047 0.000 1.030 989 T CB 1.852 70.689 68.868 -0.052 0.000 0.912 989 T HN 0.013 nan 8.240 nan 0.000 0.483 990 P HA -0.097 nan 4.420 nan 0.000 0.216 990 P C -0.081 177.190 177.300 -0.049 0.000 1.153 990 P CA 0.546 63.625 63.100 -0.035 0.000 0.858 990 P CB -0.065 31.624 31.700 -0.018 0.000 0.789 991 E N 0.224 120.387 120.200 -0.061 0.000 1.357 991 E HA -0.209 4.141 4.350 -0.001 0.000 0.313 991 E C 0.268 176.798 176.600 -0.117 0.000 1.457 991 E CA 0.385 56.725 56.400 -0.099 0.000 1.143 991 E CB -0.301 29.341 29.700 -0.097 0.000 0.669 991 E HN 0.401 nan 8.360 nan 0.000 0.334 992 E N 1.500 121.598 120.200 -0.170 0.000 3.508 992 E HA 0.121 4.470 4.350 -0.001 0.000 0.199 992 E C 0.006 176.437 176.600 -0.280 0.000 0.811 992 E CA -0.540 55.779 56.400 -0.135 0.000 1.314 992 E CB -0.223 29.493 29.700 0.027 0.000 1.856 992 E HN 0.704 nan 8.360 nan 0.000 0.373 993 H N 1.396 120.459 119.070 -0.011 0.000 2.029 993 H HA -0.121 4.435 4.556 -0.001 0.000 0.274 993 H C -0.575 174.759 175.328 0.010 0.000 0.671 993 H CA 0.983 57.029 56.048 -0.003 0.000 1.279 993 H CB -1.742 28.016 29.762 -0.007 0.000 1.366 993 H HN 0.331 nan 8.280 nan 0.000 0.309 994 T N 1.147 115.722 114.554 0.034 0.000 2.865 994 T HA 0.574 4.924 4.350 -0.001 0.000 0.294 994 T C -0.308 174.430 174.700 0.063 0.000 1.119 994 T CA -1.199 60.925 62.100 0.040 0.000 1.007 994 T CB 2.514 71.381 68.868 -0.002 0.000 1.225 994 T HN 0.624 nan 8.240 nan 0.000 0.515 995 Q N 0.480 120.325 119.800 0.075 0.000 2.266 995 Q HA 0.452 4.792 4.340 -0.001 0.000 0.261 995 Q C -0.496 175.528 176.000 0.040 0.000 0.985 995 Q CA -0.992 54.847 55.803 0.060 0.000 0.873 995 Q CB 2.084 30.868 28.738 0.077 0.000 1.306 995 Q HN 0.636 nan 8.270 nan 0.000 0.447 996 K N 1.844 122.256 120.400 0.020 0.000 2.412 996 K HA 0.109 4.429 4.320 -0.001 0.000 0.281 996 K C -1.028 175.573 176.600 0.002 0.000 1.027 996 K CA -0.281 56.009 56.287 0.004 0.000 0.989 996 K CB 0.382 32.875 32.500 -0.011 0.000 0.935 996 K HN 0.434 nan 8.250 nan 0.000 0.475 997 L N 4.734 125.955 121.223 -0.003 0.000 2.265 997 L HA 0.293 4.632 4.340 -0.001 0.000 0.289 997 L C -1.216 175.617 176.870 -0.061 0.000 1.033 997 L CA -0.085 54.745 54.840 -0.017 0.000 0.814 997 L CB 1.213 43.273 42.059 0.002 0.000 1.203 997 L HN 0.634 nan 8.230 nan 0.000 0.423 998 D N 3.578 123.935 120.400 -0.072 0.000 2.460 998 D HA 0.165 4.804 4.640 -0.001 0.000 0.232 998 D C 1.066 177.266 176.300 -0.168 0.000 1.079 998 D CA -0.312 53.622 54.000 -0.110 0.000 0.864 998 D CB 1.296 42.078 40.800 -0.030 0.000 1.048 998 D HN 0.387 nan 8.370 nan 0.000 0.523 999 V N 1.433 121.153 119.914 -0.323 0.000 2.720 999 V HA -0.162 3.958 4.120 -0.001 0.000 0.256 999 V C 2.088 177.866 176.094 -0.526 0.000 1.082 999 V CA 0.990 62.927 62.300 -0.605 0.000 1.101 999 V CB -1.083 30.105 31.823 -1.058 0.000 0.693 999 V HN 0.614 nan 8.190 nan 0.000 0.479 1000 c N 0.501 118.924 118.600 -0.294 0.000 2.456 1000 c HA 0.052 4.621 4.570 -0.001 0.000 0.279 1000 c C 2.079 176.061 174.090 -0.180 0.000 1.427 1000 c CA 1.139 57.359 56.329 -0.181 0.000 1.778 1000 c CB -1.767 40.620 42.510 -0.206 0.000 1.842 1000 c HN 0.763 nan 8.230 nan 0.000 0.531 1001 H N -1.028 118.016 119.070 -0.044 0.000 2.542 1001 H HA 0.265 4.821 4.556 -0.001 0.000 0.283 1001 H C 1.700 177.057 175.328 0.050 0.000 1.059 1001 H CA -0.045 56.018 56.048 0.026 0.000 1.162 1001 H CB 0.106 29.866 29.762 -0.003 0.000 1.539 1001 H HN 0.333 nan 8.280 nan 0.000 0.543 1002 L N -0.078 121.202 121.223 0.095 0.000 2.141 1002 L HA -0.022 4.318 4.340 -0.001 0.000 0.209 1002 L C 0.200 177.213 176.870 0.240 0.000 1.094 1002 L CA 0.883 55.809 54.840 0.143 0.000 0.763 1002 L CB 0.104 42.218 42.059 0.092 0.000 0.908 1002 L HN 0.216 nan 8.230 nan 0.000 0.437 1003 L N 0.090 121.411 121.223 0.164 0.000 2.331 1003 L HA 0.383 4.723 4.340 -0.001 0.000 0.275 1003 L C -2.011 174.912 176.870 0.089 0.000 1.022 1003 L CA -1.975 52.890 54.840 0.041 0.000 0.812 1003 L CB 1.571 43.413 42.059 -0.361 0.000 1.257 1003 L HN -0.194 nan 8.230 nan 0.000 0.435 1004 P HA 0.092 nan 4.420 nan 0.000 0.274 1004 P C -0.876 176.548 177.300 0.207 0.000 1.256 1004 P CA -0.271 62.910 63.100 0.135 0.000 0.795 1004 P CB 0.366 32.120 31.700 0.090 0.000 1.038 1005 N N -2.934 115.868 118.700 0.170 0.000 2.725 1005 N HA -0.151 4.588 4.740 -0.001 0.000 0.251 1005 N C 0.035 175.634 175.510 0.148 0.000 1.031 1005 N CA -0.056 53.082 53.050 0.146 0.000 0.720 1005 N CB -1.608 36.952 38.487 0.123 0.000 0.930 1005 N HN 0.260 nan 8.380 nan 0.000 0.543 1006 V N 0.087 120.045 119.914 0.074 0.000 2.637 1006 V HA 0.423 4.543 4.120 -0.001 0.000 0.296 1006 V C 1.122 177.118 176.094 -0.164 0.000 1.046 1006 V CA 1.018 63.186 62.300 -0.220 0.000 1.066 1006 V CB 1.336 32.944 31.823 -0.359 0.000 0.968 1006 V HN 0.413 nan 8.190 nan 0.000 0.483 1007 A N 6.949 129.647 122.820 -0.203 0.000 2.259 1007 A HA 0.491 4.811 4.320 -0.001 0.000 0.213 1007 A C 0.916 178.459 177.584 -0.069 0.000 1.209 1007 A CA 0.007 51.987 52.037 -0.094 0.000 0.910 1007 A CB 0.235 19.197 19.000 -0.063 0.000 0.946 1007 A HN 0.783 nan 8.150 nan 0.000 0.497 1008 R N -1.621 118.808 120.500 -0.118 0.000 2.634 1008 R HA 0.477 4.816 4.340 -0.001 0.000 0.263 1008 R C -2.340 173.926 176.300 -0.058 0.000 1.060 1008 R CA -0.331 55.761 56.100 -0.014 0.000 0.898 1008 R CB 1.409 31.732 30.300 0.039 0.000 1.253 1008 R HN 0.289 nan 8.270 nan 0.000 0.461 1009 c N 2.767 121.371 118.600 0.007 0.000 2.481 1009 c HA 0.620 5.190 4.570 -0.001 0.000 0.324 1009 c C -1.200 172.964 174.090 0.122 0.000 1.170 1009 c CA -0.203 56.135 56.329 0.015 0.000 1.361 1009 c CB 1.255 43.727 42.510 -0.064 0.000 1.977 1009 c HN 0.928 nan 8.230 nan 0.000 0.459 1010 E N 2.903 123.209 120.200 0.177 0.000 2.266 1010 E HA 0.450 4.799 4.350 -0.001 0.000 0.268 1010 E C -0.946 175.824 176.600 0.283 0.000 0.879 1010 E CA -0.592 55.936 56.400 0.213 0.000 0.762 1010 E CB 1.848 31.644 29.700 0.160 0.000 1.199 1010 E HN 0.648 nan 8.360 nan 0.000 0.422 1011 R N 1.547 122.196 120.500 0.249 0.000 2.357 1011 R HA 0.336 4.675 4.340 -0.001 0.000 0.296 1011 R C -0.479 175.851 176.300 0.051 0.000 1.052 1011 R CA 0.095 56.267 56.100 0.120 0.000 0.988 1011 R CB 0.640 30.983 30.300 0.071 0.000 1.025 1011 R HN 0.701 nan 8.270 nan 0.000 0.469 1012 T N -0.243 114.316 114.554 0.008 0.000 2.888 1012 T HA 0.363 4.712 4.350 -0.001 0.000 0.288 1012 T C 0.127 174.811 174.700 -0.027 0.000 1.063 1012 T CA -0.758 61.366 62.100 0.040 0.000 1.010 1012 T CB 1.360 70.321 68.868 0.156 0.000 1.214 1012 T HN 0.616 nan 8.240 nan 0.000 0.533 1013 T N 0.182 114.724 114.554 -0.020 0.000 2.795 1013 T HA 0.213 4.563 4.350 -0.001 0.000 0.314 1013 T C 1.609 176.232 174.700 -0.129 0.000 1.069 1013 T CA -0.689 61.376 62.100 -0.058 0.000 1.071 1013 T CB -0.070 68.780 68.868 -0.030 0.000 0.988 1013 T HN 0.564 nan 8.240 nan 0.000 0.543 1014 L N 0.940 122.070 121.223 -0.154 0.000 2.362 1014 L HA -0.024 4.316 4.340 -0.001 0.000 0.219 1014 L C 2.820 179.404 176.870 -0.478 0.000 1.134 1014 L CA 1.356 56.037 54.840 -0.265 0.000 0.807 1014 L CB -1.038 40.946 42.059 -0.124 0.000 0.927 1014 L HN 0.979 nan 8.230 nan 0.000 0.447 1015 T N -4.939 109.434 114.554 -0.301 0.000 3.129 1015 T HA 0.013 4.362 4.350 -0.001 0.000 0.251 1015 T C 0.761 175.349 174.700 -0.187 0.000 1.117 1015 T CA -0.228 61.724 62.100 -0.248 0.000 1.034 1015 T CB -0.140 68.706 68.868 -0.037 0.000 0.968 1015 T HN 0.198 nan 8.240 nan 0.000 0.526 1016 F N -0.780 119.180 119.950 0.016 0.000 2.871 1016 F HA -0.201 4.325 4.527 -0.001 0.000 0.326 1016 F C 1.064 176.862 175.800 -0.003 0.000 0.675 1016 F CA -0.055 57.947 58.000 0.004 0.000 1.188 1016 F CB -2.313 36.685 39.000 -0.003 0.000 1.567 1016 F HN 0.246 nan 8.300 nan 0.000 0.325 1017 L N -0.902 120.389 121.223 0.113 0.000 2.446 1017 L HA 0.058 4.397 4.340 -0.001 0.000 0.219 1017 L C 1.123 178.013 176.870 0.033 0.000 1.116 1017 L CA 1.028 55.905 54.840 0.063 0.000 0.844 1017 L CB 0.054 42.133 42.059 0.033 0.000 0.970 1017 L HN 0.360 nan 8.230 nan 0.000 0.457 1018 Q N 0.420 120.239 119.800 0.032 0.000 2.305 1018 Q HA 0.281 4.620 4.340 -0.001 0.000 0.271 1018 Q C -1.189 174.827 176.000 0.027 0.000 1.046 1018 Q CA -0.711 55.099 55.803 0.013 0.000 0.798 1018 Q CB 1.891 30.623 28.738 -0.010 0.000 1.286 1018 Q HN 0.085 nan 8.270 nan 0.000 0.435 1019 N N 4.414 123.128 118.700 0.024 0.000 2.458 1019 N HA 0.219 4.958 4.740 -0.001 0.000 0.270 1019 N C 0.214 175.739 175.510 0.026 0.000 1.102 1019 N CA 0.142 53.213 53.050 0.036 0.000 0.967 1019 N CB 1.192 39.697 38.487 0.030 0.000 1.078 1019 N HN 0.649 nan 8.380 nan 0.000 0.471 1020 L N 0.379 121.622 121.223 0.034 0.000 2.537 1020 L HA 0.317 4.656 4.340 -0.001 0.000 0.224 1020 L C 0.556 177.453 176.870 0.045 0.000 1.065 1020 L CA 0.371 55.226 54.840 0.024 0.000 0.860 1020 L CB 0.374 42.437 42.059 0.006 0.000 1.086 1020 L HN 0.508 nan 8.230 nan 0.000 0.482 1021 E N -0.332 119.914 120.200 0.077 0.000 2.347 1021 E HA 0.144 4.493 4.350 -0.001 0.000 0.285 1021 E C -1.321 175.377 176.600 0.164 0.000 0.925 1021 E CA -0.529 55.934 56.400 0.104 0.000 0.779 1021 E CB 1.561 31.316 29.700 0.092 0.000 1.233 1021 E HN 0.091 nan 8.360 nan 0.000 0.414 1022 H N 5.873 124.967 119.070 0.040 0.000 2.604 1022 H HA 0.312 4.867 4.556 -0.001 0.000 0.306 1022 H C -0.661 174.691 175.328 0.039 0.000 1.075 1022 H CA -0.555 55.514 56.048 0.035 0.000 1.357 1022 H CB 0.685 30.458 29.762 0.019 0.000 1.426 1022 H HN 0.382 nan 8.280 nan 0.000 0.470 1023 L N 5.279 126.420 121.223 -0.136 0.000 2.276 1023 L HA 0.098 4.438 4.340 -0.001 0.000 0.286 1023 L C 0.145 176.871 176.870 -0.240 0.000 1.061 1023 L CA -0.844 53.914 54.840 -0.136 0.000 0.807 1023 L CB 0.949 42.987 42.059 -0.034 0.000 1.177 1023 L HN 0.634 nan 8.230 nan 0.000 0.429 1024 D N 2.909 123.216 120.400 -0.154 0.000 2.493 1024 D HA 0.142 4.782 4.640 -0.001 0.000 0.240 1024 D C 1.196 177.445 176.300 -0.084 0.000 1.142 1024 D CA 1.215 55.140 54.000 -0.125 0.000 0.872 1024 D CB 1.150 41.910 40.800 -0.068 0.000 1.173 1024 D HN 0.837 nan 8.370 nan 0.000 0.467 1025 G N 3.148 111.904 108.800 -0.072 0.000 2.166 1025 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.260 1025 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.260 1025 G C 0.783 175.699 174.900 0.028 0.000 0.986 1025 G CA 0.421 45.511 45.100 -0.016 0.000 0.683 1025 G HN 0.651 nan 8.290 nan 0.000 0.527 1026 M N -2.783 116.791 119.600 -0.044 0.000 2.576 1026 M HA -0.195 4.284 4.480 -0.001 0.000 0.200 1026 M C 0.114 176.409 176.300 -0.009 0.000 0.487 1026 M CA 0.924 56.188 55.300 -0.061 0.000 0.553 1026 M CB -1.893 30.649 32.600 -0.097 0.000 2.042 1026 M HN 0.223 nan 8.290 nan 0.000 0.758 1027 V N 0.721 120.634 119.914 -0.003 0.000 2.398 1027 V HA 0.734 4.854 4.120 -0.001 0.000 0.286 1027 V C 0.564 176.573 176.094 -0.142 0.000 1.026 1027 V CA -0.346 61.947 62.300 -0.011 0.000 0.868 1027 V CB 1.821 33.640 31.823 -0.007 0.000 0.982 1027 V HN 0.380 nan 8.190 nan 0.000 0.443 1028 A N 7.754 130.408 122.820 -0.277 0.000 2.279 1028 A HA 0.762 5.082 4.320 -0.001 0.000 0.306 1028 A C -2.497 174.810 177.584 -0.462 0.000 1.300 1028 A CA -1.482 50.163 52.037 -0.652 0.000 0.925 1028 A CB 0.173 18.491 19.000 -1.136 0.000 1.152 1028 A HN 0.637 nan 8.150 nan 0.000 0.544 1029 P HA 0.187 nan 4.420 nan 0.000 0.272 1029 P C -0.081 177.212 177.300 -0.012 0.000 1.223 1029 P CA -0.133 62.922 63.100 -0.076 0.000 0.784 1029 P CB 0.604 32.318 31.700 0.023 0.000 0.923 1030 E N -0.003 120.201 120.200 0.007 0.000 2.392 1030 E HA 0.243 4.593 4.350 -0.001 0.000 0.256 1030 E C 0.077 176.726 176.600 0.081 0.000 1.145 1030 E CA -0.780 55.648 56.400 0.048 0.000 0.929 1030 E CB 0.508 30.218 29.700 0.016 0.000 0.998 1030 E HN 0.279 nan 8.360 nan 0.000 0.442 1031 V N -1.291 118.673 119.914 0.083 0.000 3.109 1031 V HA 0.347 4.466 4.120 -0.001 0.000 0.317 1031 V C 0.149 176.242 176.094 -0.001 0.000 1.074 1031 V CA -1.077 61.259 62.300 0.059 0.000 1.033 1031 V CB 1.225 33.087 31.823 0.066 0.000 1.111 1031 V HN 0.737 nan 8.190 nan 0.000 0.458 1032 c N 2.405 120.999 118.600 -0.009 0.000 2.580 1032 c HA 0.445 5.015 4.570 -0.001 0.000 0.371 1032 c C -2.079 171.951 174.090 -0.099 0.000 1.308 1032 c CA -0.330 55.975 56.329 -0.041 0.000 2.428 1032 c CB -0.001 42.502 42.510 -0.012 0.000 2.529 1032 c HN 0.818 nan 8.230 nan 0.000 0.657 1033 P HA 0.058 nan 4.420 nan 0.000 0.264 1033 P C 0.263 177.403 177.300 -0.267 0.000 1.193 1033 P CA 0.896 63.856 63.100 -0.233 0.000 0.763 1033 P CB 0.188 31.733 31.700 -0.259 0.000 0.810 1034 M N -1.124 118.268 119.600 -0.346 0.000 2.939 1034 M HA -0.179 4.301 4.480 -0.001 0.000 0.194 1034 M C -0.100 176.182 176.300 -0.031 0.000 0.617 1034 M CA 1.357 56.436 55.300 -0.368 0.000 0.734 1034 M CB -2.037 30.022 32.600 -0.903 0.000 2.637 1034 M HN 0.416 nan 8.290 nan 0.000 0.316 1035 E N 0.458 120.640 120.200 -0.030 0.000 2.227 1035 E HA 0.704 5.053 4.350 -0.001 0.000 0.268 1035 E C 0.038 176.704 176.600 0.110 0.000 0.990 1035 E CA -0.051 56.415 56.400 0.110 0.000 0.856 1035 E CB 1.432 31.163 29.700 0.052 0.000 1.159 1035 E HN 0.147 nan 8.360 nan 0.000 0.401 1036 T N 0.546 115.189 114.554 0.148 0.000 2.921 1036 T HA 0.681 5.031 4.350 -0.001 0.000 0.297 1036 T C -0.900 173.814 174.700 0.023 0.000 1.013 1036 T CA -0.648 61.545 62.100 0.155 0.000 0.990 1036 T CB 1.579 70.552 68.868 0.176 0.000 1.023 1036 T HN 0.506 nan 8.240 nan 0.000 0.447 1037 A N 1.934 124.768 122.820 0.022 0.000 2.515 1037 A HA 1.006 5.325 4.320 -0.001 0.000 0.296 1037 A C -1.034 176.448 177.584 -0.169 0.000 1.094 1037 A CA -0.932 51.021 52.037 -0.140 0.000 0.718 1037 A CB 1.546 20.411 19.000 -0.225 0.000 1.307 1037 A HN 1.118 nan 8.150 nan 0.000 0.408 1038 A N 0.222 122.854 122.820 -0.314 0.000 2.365 1038 A HA 0.834 5.154 4.320 -0.001 0.000 0.318 1038 A C -1.596 175.817 177.584 -0.285 0.000 1.091 1038 A CA -0.359 51.611 52.037 -0.111 0.000 0.763 1038 A CB 0.787 19.756 19.000 -0.052 0.000 1.248 1038 A HN 0.874 nan 8.150 nan 0.000 0.442 1039 Y N -0.021 120.490 120.300 0.352 0.000 2.524 1039 Y HA 0.578 5.128 4.550 -0.001 0.000 0.347 1039 Y C -0.296 175.767 175.900 0.273 0.000 1.005 1039 Y CA -0.910 57.349 58.100 0.266 0.000 1.025 1039 Y CB 2.501 41.076 38.460 0.191 0.000 1.275 1039 Y HN 0.413 nan 8.280 nan 0.000 0.460 1040 V N 2.383 122.494 119.914 0.328 0.000 2.483 1040 V HA 0.487 4.606 4.120 -0.001 0.000 0.297 1040 V C -0.663 175.513 176.094 0.137 0.000 1.027 1040 V CA -0.931 61.457 62.300 0.146 0.000 0.855 1040 V CB 1.747 33.593 31.823 0.038 0.000 0.995 1040 V HN 0.831 nan 8.190 nan 0.000 0.424 1041 S N 3.472 119.259 115.700 0.146 0.000 2.508 1041 S HA 0.723 5.192 4.470 -0.001 0.000 0.284 1041 S C -0.217 174.320 174.600 -0.106 0.000 1.192 1041 S CA -0.586 57.629 58.200 0.025 0.000 1.070 1041 S CB 1.603 64.900 63.200 0.162 0.000 1.004 1041 S HN 0.556 nan 8.310 nan 0.000 0.493 1042 S N 2.369 117.879 115.700 -0.315 0.000 2.501 1042 S HA 0.537 5.006 4.470 -0.001 0.000 0.301 1042 S C -0.913 173.349 174.600 -0.563 0.000 1.096 1042 S CA -0.766 57.279 58.200 -0.258 0.000 1.063 1042 S CB 0.533 63.660 63.200 -0.122 0.000 1.042 1042 S HN 0.787 nan 8.310 nan 0.000 0.494 1043 H N 0.870 119.931 119.070 -0.014 0.000 2.679 1043 H HA 0.426 4.981 4.556 -0.001 0.000 0.360 1043 H C -0.201 175.125 175.328 -0.004 0.000 1.105 1043 H CA -0.603 55.439 56.048 -0.009 0.000 1.196 1043 H CB 1.822 31.581 29.762 -0.005 0.000 1.636 1043 H HN 0.676 nan 8.280 nan 0.000 0.531 1044 S N 0.000 115.746 115.700 0.076 0.000 2.498 1044 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.230 58.200 0.049 0.000 1.107 1044 S CB 0.000 63.216 63.200 0.026 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517