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 2f18_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 0.000 174.102 174.090 0.020 0.000 1.270 31 c CA 0.000 56.336 56.329 0.011 0.000 1.963 31 c CB 0.000 42.503 42.510 -0.012 0.000 2.134 32 Q N 1.390 121.218 119.800 0.046 0.000 2.373 32 Q HA 0.165 4.505 4.340 -0.001 0.000 0.255 32 Q C -0.277 175.753 176.000 0.050 0.000 0.980 32 Q CA 0.302 56.148 55.803 0.072 0.000 0.882 32 Q CB 0.865 29.685 28.738 0.136 0.000 1.249 32 Q HN 0.661 nan 8.270 nan 0.000 0.438 33 D N 1.736 122.167 120.400 0.052 0.000 2.316 33 D HA 0.061 4.700 4.640 -0.001 0.000 0.245 33 D C 0.484 176.828 176.300 0.072 0.000 1.171 33 D CA -0.228 53.783 54.000 0.018 0.000 0.856 33 D CB 1.278 42.090 40.800 0.019 0.000 1.090 33 D HN 0.383 nan 8.370 nan 0.000 0.476 34 V N 2.277 122.183 119.914 -0.014 0.000 3.633 34 V HA 0.091 4.210 4.120 -0.001 0.000 0.283 34 V C 1.025 177.156 176.094 0.063 0.000 1.305 34 V CA 0.117 62.466 62.300 0.081 0.000 1.153 34 V CB 0.146 31.843 31.823 -0.211 0.000 0.950 34 V HN 0.390 nan 8.190 nan 0.000 0.432 35 V N -0.058 119.815 119.914 -0.068 0.000 3.013 35 V HA 0.096 4.216 4.120 -0.001 0.000 0.238 35 V C 2.287 178.367 176.094 -0.024 0.000 1.161 35 V CA 1.194 63.412 62.300 -0.135 0.000 1.170 35 V CB 0.058 31.750 31.823 -0.218 0.000 0.917 35 V HN 0.485 nan 8.190 nan 0.000 0.478 36 Q N -0.241 119.587 119.800 0.047 0.000 2.384 36 Q HA 0.119 4.458 4.340 -0.001 0.000 0.207 36 Q C -0.433 175.650 176.000 0.138 0.000 0.904 36 Q CA 0.300 56.150 55.803 0.078 0.000 0.933 36 Q CB 0.561 29.317 28.738 0.031 0.000 1.077 36 Q HN 0.495 nan 8.270 nan 0.000 0.522 37 D N 1.379 121.891 120.400 0.187 0.000 2.427 37 D HA 0.165 4.805 4.640 -0.001 0.000 0.226 37 D C -0.683 175.728 176.300 0.185 0.000 1.076 37 D CA -0.216 53.880 54.000 0.160 0.000 0.849 37 D CB 1.968 42.841 40.800 0.122 0.000 1.052 37 D HN -0.159 nan 8.370 nan 0.000 0.515 38 V N 4.678 124.669 119.914 0.130 0.000 2.446 38 V HA 0.104 4.223 4.120 -0.001 0.000 0.276 38 V C -1.791 174.281 176.094 -0.037 0.000 1.030 38 V CA -1.052 61.247 62.300 -0.003 0.000 1.033 38 V CB 0.264 32.092 31.823 0.009 0.000 0.993 38 V HN 0.305 nan 8.190 nan 0.000 0.477 39 P HA 0.114 nan 4.420 nan 0.000 0.269 39 P C -0.472 176.799 177.300 -0.049 0.000 1.209 39 P CA -0.209 62.859 63.100 -0.054 0.000 0.776 39 P CB 0.377 32.027 31.700 -0.083 0.000 0.876 40 N N 2.410 121.097 118.700 -0.023 0.000 2.439 40 N HA 0.354 5.094 4.740 -0.001 0.000 0.249 40 N C -1.088 174.413 175.510 -0.016 0.000 1.003 40 N CA -0.495 52.544 53.050 -0.018 0.000 0.942 40 N CB 0.187 38.672 38.487 -0.003 0.000 1.115 40 N HN 0.134 nan 8.380 nan 0.000 0.505 41 V N 0.490 120.388 119.914 -0.027 0.000 3.001 41 V HA 0.546 4.666 4.120 -0.001 0.000 0.314 41 V C 0.494 176.572 176.094 -0.026 0.000 1.099 41 V CA -0.733 61.554 62.300 -0.023 0.000 0.989 41 V CB 2.068 33.866 31.823 -0.042 0.000 1.040 41 V HN 0.422 nan 8.190 nan 0.000 0.434 42 D N 1.027 121.419 120.400 -0.014 0.000 2.149 42 D HA 0.033 4.672 4.640 -0.001 0.000 0.201 42 D C 0.503 176.772 176.300 -0.052 0.000 0.972 42 D CA 1.551 55.539 54.000 -0.019 0.000 0.835 42 D CB 0.498 41.303 40.800 0.008 0.000 0.966 42 D HN 0.422 nan 8.370 nan 0.000 0.476 43 V N 1.494 121.355 119.914 -0.089 0.000 2.483 43 V HA 0.224 4.343 4.120 -0.001 0.000 0.297 43 V C -0.369 175.628 176.094 -0.162 0.000 1.027 43 V CA -0.741 61.476 62.300 -0.139 0.000 0.855 43 V CB 2.401 34.095 31.823 -0.215 0.000 0.995 43 V HN -0.082 nan 8.190 nan 0.000 0.424 44 Q N 4.604 124.321 119.800 -0.140 0.000 2.327 44 Q HA 0.435 4.775 4.340 -0.001 0.000 0.270 44 Q C 0.397 176.300 176.000 -0.162 0.000 1.022 44 Q CA -0.693 55.021 55.803 -0.149 0.000 0.773 44 Q CB 1.908 30.579 28.738 -0.111 0.000 1.251 44 Q HN 0.676 nan 8.270 nan 0.000 0.457 45 M N 3.041 122.497 119.600 -0.239 0.000 2.213 45 M HA -0.163 4.317 4.480 -0.001 0.000 0.263 45 M C 1.597 177.794 176.300 -0.171 0.000 1.062 45 M CA 1.000 56.146 55.300 -0.257 0.000 1.105 45 M CB -0.798 31.514 32.600 -0.480 0.000 1.385 45 M HN 0.572 nan 8.290 nan 0.000 0.417 46 L N 0.642 121.759 121.223 -0.177 0.000 2.093 46 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 46 L C 2.482 179.347 176.870 -0.008 0.000 1.085 46 L CA 1.778 56.547 54.840 -0.118 0.000 0.755 46 L CB -0.635 41.330 42.059 -0.156 0.000 0.904 46 L HN 0.257 nan 8.230 nan 0.000 0.435 47 E N -0.356 119.825 120.200 -0.032 0.000 2.072 47 E HA -0.226 4.123 4.350 -0.001 0.000 0.191 47 E C 2.194 178.809 176.600 0.024 0.000 0.985 47 E CA 1.392 57.788 56.400 -0.008 0.000 0.801 47 E CB -0.287 29.393 29.700 -0.033 0.000 0.750 47 E HN 0.445 nan 8.360 nan 0.000 0.452 48 L N 0.459 121.696 121.223 0.023 0.000 2.017 48 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 48 L C 2.307 179.250 176.870 0.122 0.000 1.073 48 L CA 1.664 56.526 54.840 0.037 0.000 0.745 48 L CB -0.944 41.125 42.059 0.017 0.000 0.894 48 L HN 0.123 nan 8.230 nan 0.000 0.432 49 Y N -0.134 120.171 120.300 0.007 0.000 2.224 49 Y HA -0.252 4.298 4.550 -0.001 0.000 0.289 49 Y C 2.547 178.540 175.900 0.155 0.000 1.146 49 Y CA 1.685 59.877 58.100 0.154 0.000 1.182 49 Y CB -0.629 37.922 38.460 0.151 0.000 0.983 49 Y HN 0.363 nan 8.280 nan 0.000 0.524 50 D N -0.456 120.056 120.400 0.186 0.000 2.144 50 D HA -0.122 4.517 4.640 -0.001 0.000 0.200 50 D C 1.988 178.330 176.300 0.070 0.000 0.978 50 D CA 1.244 55.308 54.000 0.107 0.000 0.833 50 D CB 0.065 40.902 40.800 0.061 0.000 0.961 50 D HN 0.280 nan 8.370 nan 0.000 0.470 51 R N -0.867 119.657 120.500 0.040 0.000 2.127 51 R HA 0.159 4.498 4.340 -0.001 0.000 0.217 51 R C 0.958 177.240 176.300 -0.031 0.000 1.074 51 R CA 0.070 56.170 56.100 -0.001 0.000 0.991 51 R CB -0.046 30.239 30.300 -0.024 0.000 0.895 51 R HN 0.222 nan 8.270 nan 0.000 0.450 52 M N 1.201 120.755 119.600 -0.077 0.000 2.249 52 M HA -0.052 4.428 4.480 -0.001 0.000 0.340 52 M C 1.358 177.614 176.300 -0.074 0.000 1.166 52 M CA 0.347 55.509 55.300 -0.230 0.000 1.115 52 M CB 1.186 33.388 32.600 -0.664 0.000 1.606 52 M HN 0.104 nan 8.290 nan 0.000 0.448 53 S N 1.335 116.971 115.700 -0.106 0.000 2.486 53 S HA 0.070 4.539 4.470 -0.001 0.000 0.220 53 S C 0.651 175.361 174.600 0.183 0.000 1.011 53 S CA -0.191 58.038 58.200 0.048 0.000 0.921 53 S CB -0.176 63.035 63.200 0.018 0.000 0.785 53 S HN 0.763 nan 8.310 nan 0.000 0.517 54 F N 0.909 120.793 119.950 -0.111 0.000 3.093 54 F HA -0.148 4.378 4.527 -0.001 0.000 0.287 54 F C 0.200 176.019 175.800 0.031 0.000 0.882 54 F CA 0.359 58.304 58.000 -0.092 0.000 1.063 54 F CB -1.898 37.021 39.000 -0.135 0.000 1.097 54 F HN 0.104 nan 8.300 nan 0.000 0.604 55 K N 1.076 121.559 120.400 0.138 0.000 2.350 55 K HA 0.162 4.481 4.320 -0.001 0.000 0.279 55 K C 0.249 176.962 176.600 0.188 0.000 1.027 55 K CA -0.154 56.218 56.287 0.142 0.000 0.969 55 K CB 0.603 33.147 32.500 0.073 0.000 0.954 55 K HN 0.075 nan 8.250 nan 0.000 0.474 56 D N 3.520 124.041 120.400 0.202 0.000 2.557 56 D HA 0.185 4.825 4.640 -0.001 0.000 0.236 56 D C -0.328 176.014 176.300 0.071 0.000 1.154 56 D CA -0.504 53.615 54.000 0.197 0.000 0.985 56 D CB -0.579 40.349 40.800 0.214 0.000 1.010 56 D HN 0.451 nan 8.370 nan 0.000 0.516 57 I N -1.448 119.151 120.570 0.049 0.000 2.607 57 I HA 0.495 4.665 4.170 -0.001 0.000 0.305 57 I C 0.155 176.260 176.117 -0.020 0.000 0.995 57 I CA -1.048 60.259 61.300 0.011 0.000 1.148 57 I CB 1.445 39.454 38.000 0.014 0.000 1.323 57 I HN -0.136 nan 8.210 nan 0.000 0.461 58 D N 3.917 124.304 120.400 -0.021 0.000 2.342 58 D HA 0.146 4.785 4.640 -0.001 0.000 0.260 58 D C 0.997 177.283 176.300 -0.023 0.000 1.278 58 D CA 0.147 54.129 54.000 -0.029 0.000 0.910 58 D CB 1.374 42.165 40.800 -0.015 0.000 1.079 58 D HN 0.845 nan 8.370 nan 0.000 0.496 59 G N 2.445 111.214 108.800 -0.052 0.000 3.088 59 G HA2 0.423 4.383 3.960 -0.001 0.000 0.212 59 G HA3 0.423 4.383 3.960 -0.001 0.000 0.212 59 G C 0.893 175.796 174.900 0.005 0.000 1.173 59 G CA 0.356 45.432 45.100 -0.041 0.000 0.779 59 G HN 0.899 nan 8.290 nan 0.000 0.540 60 G N -0.601 108.206 108.800 0.011 0.000 2.464 60 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.216 60 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.216 60 G C 1.189 176.111 174.900 0.036 0.000 1.186 60 G CA 0.667 45.785 45.100 0.031 0.000 1.010 60 G HN 1.090 nan 8.290 nan 0.000 0.585 61 V N -3.608 116.326 119.914 0.033 0.000 2.392 61 V HA 0.072 4.191 4.120 -0.001 0.000 0.249 61 V C 1.443 177.562 176.094 0.042 0.000 1.059 61 V CA 2.428 64.728 62.300 0.001 0.000 1.051 61 V CB -0.566 31.224 31.823 -0.055 0.000 0.658 61 V HN 1.423 nan 8.190 nan 0.000 0.455 62 W N 2.628 123.834 121.300 -0.156 0.000 2.422 62 W HA 0.445 5.104 4.660 -0.001 0.000 0.349 62 W C 1.087 177.562 176.519 -0.073 0.000 1.062 62 W CA -1.846 55.394 57.345 -0.175 0.000 1.497 62 W CB 0.328 29.654 29.460 -0.222 0.000 1.407 62 W HN 0.035 nan 8.180 nan 0.000 0.393 63 K N 2.807 123.297 120.400 0.149 0.000 2.152 63 K HA -0.187 4.132 4.320 -0.001 0.000 0.206 63 K C 0.825 177.346 176.600 -0.132 0.000 1.048 63 K CA 1.502 57.782 56.287 -0.011 0.000 0.933 63 K CB 0.113 32.600 32.500 -0.022 0.000 0.721 63 K HN 0.580 nan 8.250 nan 0.000 0.447 64 Q N -0.759 118.922 119.800 -0.199 0.000 2.172 64 Q HA 0.175 4.514 4.340 -0.001 0.000 0.217 64 Q C 0.774 176.418 176.000 -0.593 0.000 0.832 64 Q CA -0.324 55.335 55.803 -0.240 0.000 1.010 64 Q CB 1.329 30.060 28.738 -0.012 0.000 1.133 64 Q HN 0.223 nan 8.270 nan 0.000 0.489 65 G N 0.598 108.624 108.800 -1.291 0.000 3.392 65 G HA2 0.532 4.492 3.960 -0.001 0.000 0.185 65 G HA3 0.532 4.492 3.960 -0.001 0.000 0.185 65 G C -1.430 173.148 174.900 -0.536 0.000 1.206 65 G CA -0.313 43.724 45.100 -1.772 0.000 0.776 65 G HN 0.350 nan 8.290 nan 0.000 0.697 66 W N -1.396 119.612 121.300 -0.486 0.000 2.988 66 W HA 0.635 5.295 4.660 -0.001 0.000 0.355 66 W C -1.472 175.137 176.519 0.150 0.000 1.233 66 W CA -1.160 56.133 57.345 -0.086 0.000 1.176 66 W CB 0.649 30.071 29.460 -0.063 0.000 1.477 66 W HN 0.185 nan 8.180 nan 0.000 0.582 67 N N 2.145 121.003 118.700 0.263 0.000 2.402 67 N HA 0.223 4.963 4.740 -0.001 0.000 0.259 67 N C -0.267 175.390 175.510 0.245 0.000 1.167 67 N CA -0.005 53.152 53.050 0.179 0.000 0.949 67 N CB 0.331 38.922 38.487 0.174 0.000 1.212 67 N HN 0.405 nan 8.380 nan 0.000 0.493 68 I N 1.940 122.557 120.570 0.077 0.000 2.618 68 I HA -0.017 4.152 4.170 -0.001 0.000 0.284 68 I C 0.850 177.140 176.117 0.287 0.000 1.146 68 I CA 0.456 61.877 61.300 0.201 0.000 1.425 68 I CB 0.444 38.504 38.000 0.100 0.000 1.383 68 I HN 0.122 nan 8.210 nan 0.000 0.562 69 K N 5.992 126.598 120.400 0.344 0.000 2.318 69 K HA 0.584 4.903 4.320 -0.001 0.000 0.249 69 K C -1.368 175.418 176.600 0.310 0.000 0.942 69 K CA -0.701 55.729 56.287 0.238 0.000 0.808 69 K CB 2.302 34.899 32.500 0.160 0.000 1.189 69 K HN 0.472 nan 8.250 nan 0.000 0.428 70 Y N -1.840 118.554 120.300 0.156 0.000 2.581 70 Y HA 0.410 4.959 4.550 -0.001 0.000 0.345 70 Y C -0.957 175.019 175.900 0.128 0.000 1.036 70 Y CA -1.590 56.605 58.100 0.158 0.000 1.042 70 Y CB 1.071 39.653 38.460 0.204 0.000 1.289 70 Y HN 0.384 nan 8.280 nan 0.000 0.471 71 D N 4.287 124.817 120.400 0.217 0.000 2.365 71 D HA 0.229 4.869 4.640 -0.001 0.000 0.237 71 D C -1.577 174.856 176.300 0.221 0.000 1.190 71 D CA -2.582 51.487 54.000 0.115 0.000 0.867 71 D CB 1.397 42.245 40.800 0.081 0.000 1.050 71 D HN 0.454 nan 8.370 nan 0.000 0.491 72 P HA -0.139 nan 4.420 nan 0.000 0.220 72 P C 1.359 178.810 177.300 0.252 0.000 1.144 72 P CA 0.738 64.019 63.100 0.302 0.000 0.800 72 P CB 0.325 32.130 31.700 0.174 0.000 0.772 73 L N -0.706 120.601 121.223 0.141 0.000 2.599 73 L HA 0.083 4.422 4.340 -0.001 0.000 0.230 73 L C 2.649 179.549 176.870 0.049 0.000 1.141 73 L CA 0.388 55.288 54.840 0.101 0.000 0.877 73 L CB -0.677 41.420 42.059 0.064 0.000 1.009 73 L HN -0.026 nan 8.230 nan 0.000 0.447 74 K N 0.514 120.898 120.400 -0.026 0.000 2.097 74 K HA -0.119 4.200 4.320 -0.001 0.000 0.206 74 K C 0.010 176.419 176.600 -0.318 0.000 1.049 74 K CA 1.056 57.197 56.287 -0.243 0.000 0.933 74 K CB 0.113 32.342 32.500 -0.452 0.000 0.717 74 K HN 0.130 nan 8.250 nan 0.000 0.442 75 Y N 0.648 121.074 120.300 0.210 0.000 2.387 75 Y HA 0.224 4.774 4.550 -0.000 0.000 0.330 75 Y C 0.134 176.120 175.900 0.143 0.000 1.133 75 Y CA -0.995 57.217 58.100 0.187 0.000 1.152 75 Y CB 1.435 39.964 38.460 0.114 0.000 1.215 75 Y HN 0.259 nan 8.280 nan 0.000 0.466 76 N N -0.707 118.155 118.700 0.270 0.000 3.364 76 N HA 0.455 5.194 4.740 -0.001 0.000 0.294 76 N C -0.104 175.442 175.510 0.060 0.000 1.562 76 N CA -0.415 52.726 53.050 0.150 0.000 0.862 76 N CB 0.320 38.889 38.487 0.137 0.000 1.691 76 N HN 0.493 nan 8.380 nan 0.000 0.572 77 A N -1.284 121.485 122.820 -0.084 0.000 2.024 77 A HA -0.173 4.146 4.320 -0.001 0.000 0.220 77 A C 0.996 178.402 177.584 -0.297 0.000 1.164 77 A CA 1.353 53.243 52.037 -0.245 0.000 0.643 77 A CB -1.064 17.693 19.000 -0.405 0.000 0.806 77 A HN 0.683 nan 8.150 nan 0.000 0.451 78 H N -2.616 116.510 119.070 0.094 0.000 2.592 78 H HA 0.118 4.674 4.556 -0.001 0.000 0.265 78 H C -0.010 175.421 175.328 0.173 0.000 0.955 78 H CA 0.590 56.699 56.048 0.101 0.000 1.175 78 H CB 0.161 29.972 29.762 0.081 0.000 1.433 78 H HN 0.661 nan 8.280 nan 0.000 0.537 79 H N 0.936 120.085 119.070 0.132 0.000 2.808 79 H HA 0.258 4.814 4.556 -0.000 0.000 0.268 79 H C -0.672 174.765 175.328 0.181 0.000 1.306 79 H CA -0.280 55.848 56.048 0.134 0.000 1.565 79 H CB 0.683 30.514 29.762 0.116 0.000 1.632 79 H HN 0.099 nan 8.280 nan 0.000 0.525 80 K N 2.424 122.780 120.400 -0.074 0.000 2.095 80 K HA 0.240 4.559 4.320 -0.001 0.000 0.252 80 K C -0.505 175.994 176.600 -0.167 0.000 0.977 80 K CA -1.105 55.142 56.287 -0.066 0.000 0.900 80 K CB 2.089 34.536 32.500 -0.089 0.000 1.060 80 K HN 0.174 nan 8.250 nan 0.000 0.449 81 L N 2.279 123.356 121.223 -0.243 0.000 2.281 81 L HA 0.223 4.562 4.340 -0.001 0.000 0.285 81 L C -0.686 175.993 176.870 -0.318 0.000 1.074 81 L CA -0.124 54.513 54.840 -0.338 0.000 0.817 81 L CB 0.429 42.098 42.059 -0.650 0.000 1.168 81 L HN 0.337 nan 8.230 nan 0.000 0.434 82 K N 4.240 124.460 120.400 -0.300 0.000 2.253 82 K HA 0.551 4.870 4.320 -0.001 0.000 0.277 82 K C -1.557 174.724 176.600 -0.533 0.000 1.053 82 K CA -0.365 55.672 56.287 -0.416 0.000 0.892 82 K CB 1.002 33.307 32.500 -0.325 0.000 1.102 82 K HN 0.431 nan 8.250 nan 0.000 0.469 83 V N 5.940 125.410 119.914 -0.739 0.000 2.417 83 V HA 0.481 4.601 4.120 -0.001 0.000 0.291 83 V C -0.886 174.656 176.094 -0.919 0.000 1.024 83 V CA -0.712 61.097 62.300 -0.818 0.000 0.861 83 V CB 0.832 31.977 31.823 -1.131 0.000 0.985 83 V HN 0.576 nan 8.190 nan 0.000 0.436 84 F N 3.651 123.343 119.950 -0.430 0.000 2.375 84 F HA 0.504 5.031 4.527 -0.001 0.000 0.361 84 F C 0.165 175.774 175.800 -0.319 0.000 1.117 84 F CA -0.707 57.094 58.000 -0.331 0.000 1.037 84 F CB 1.756 40.632 39.000 -0.207 0.000 1.192 84 F HN 0.180 nan 8.300 nan 0.000 0.452 85 V N 5.061 124.927 119.914 -0.080 0.000 2.385 85 V HA 0.298 4.418 4.120 -0.001 0.000 0.269 85 V C -0.199 175.988 176.094 0.155 0.000 1.043 85 V CA -0.625 61.693 62.300 0.030 0.000 0.906 85 V CB 1.270 33.179 31.823 0.143 0.000 0.995 85 V HN 0.434 nan 8.190 nan 0.000 0.467 86 V N 8.406 128.363 119.914 0.071 0.000 2.275 86 V HA 0.312 4.432 4.120 -0.001 0.000 0.272 86 V C -2.360 173.767 176.094 0.055 0.000 1.028 86 V CA -1.931 60.378 62.300 0.014 0.000 0.810 86 V CB 1.436 33.177 31.823 -0.136 0.000 1.043 86 V HN 0.725 nan 8.190 nan 0.000 0.453 87 P HA 0.318 nan 4.420 nan 0.000 0.271 87 P C -0.847 176.440 177.300 -0.022 0.000 1.216 87 P CA 0.274 63.331 63.100 -0.071 0.000 0.771 87 P CB 0.345 31.795 31.700 -0.417 0.000 0.864 88 H N -1.034 118.022 119.070 -0.023 0.000 2.990 88 H HA 0.795 5.350 4.556 -0.001 0.000 0.336 88 H C -1.492 173.928 175.328 0.153 0.000 1.306 88 H CA -1.122 54.818 56.048 -0.180 0.000 1.118 88 H CB 0.999 30.623 29.762 -0.230 0.000 1.856 88 H HN 0.196 nan 8.280 nan 0.000 0.538 89 S N 0.672 116.367 115.700 -0.007 0.000 2.736 89 S HA 0.209 4.679 4.470 -0.001 0.000 0.285 89 S C -1.842 172.676 174.600 -0.138 0.000 1.163 89 S CA -0.671 57.573 58.200 0.073 0.000 1.025 89 S CB 0.197 63.619 63.200 0.371 0.000 1.030 89 S HN 0.841 nan 8.310 nan 0.000 0.486 90 H N 4.143 123.109 119.070 -0.174 0.000 2.864 90 H HA 0.496 5.051 4.556 -0.001 0.000 0.281 90 H C -0.627 174.298 175.328 -0.672 0.000 1.093 90 H CA 0.177 56.035 56.048 -0.317 0.000 1.453 90 H CB 0.186 29.805 29.762 -0.239 0.000 1.462 90 H HN 0.513 nan 8.280 nan 0.000 0.480 91 N N 4.746 122.805 118.700 -1.067 0.000 2.564 91 N HA 0.120 4.860 4.740 -0.001 0.000 0.248 91 N C -1.326 173.713 175.510 -0.784 0.000 0.986 91 N CA -0.646 51.589 53.050 -1.358 0.000 0.921 91 N CB 0.867 38.855 38.487 -0.831 0.000 1.136 91 N HN 0.564 nan 8.380 nan 0.000 0.509 92 D N 2.258 122.220 120.400 -0.730 0.000 2.371 92 D HA 0.082 4.721 4.640 -0.001 0.000 0.256 92 D C -2.073 174.270 176.300 0.072 0.000 1.193 92 D CA -0.881 52.972 54.000 -0.245 0.000 0.881 92 D CB 1.145 42.058 40.800 0.188 0.000 1.143 92 D HN 0.258 nan 8.370 nan 0.000 0.473 93 P HA 0.213 nan 4.420 nan 0.000 0.230 93 P C -0.051 177.444 177.300 0.325 0.000 1.791 93 P CA -0.045 63.080 63.100 0.042 0.000 1.020 93 P CB 0.277 31.877 31.700 -0.168 0.000 1.977 94 G N 0.578 109.756 108.800 0.629 0.000 3.067 94 G HA2 0.014 3.974 3.960 -0.001 0.000 0.686 94 G HA3 0.014 3.974 3.960 -0.001 0.000 0.686 94 G C -1.094 174.340 174.900 0.891 0.000 1.119 94 G CA -0.630 44.862 45.100 0.654 0.000 0.790 94 G HN 0.364 nan 8.290 nan 0.000 0.605 95 W N 2.372 124.007 121.300 0.559 0.000 4.511 95 W HA 0.280 4.939 4.660 -0.001 0.000 0.159 95 W C 0.888 177.580 176.519 0.288 0.000 3.471 95 W CA 0.922 58.569 57.345 0.504 0.000 1.173 95 W CB -0.759 29.090 29.460 0.649 0.000 2.090 95 W HN 0.521 nan 8.180 nan 0.000 0.393 96 I N 1.916 122.517 120.570 0.051 0.000 3.030 96 I HA 0.159 4.329 4.170 -0.001 0.000 0.270 96 I C 0.201 176.179 176.117 -0.232 0.000 1.211 96 I CA 1.010 62.147 61.300 -0.272 0.000 1.479 96 I CB -1.133 36.662 38.000 -0.341 0.000 1.105 96 I HN 0.105 nan 8.210 nan 0.000 0.447 97 Q N -0.048 119.457 119.800 -0.492 0.000 2.484 97 Q HA 0.380 4.719 4.340 -0.001 0.000 0.285 97 Q C 0.079 175.831 176.000 -0.414 0.000 1.097 97 Q CA -0.657 54.792 55.803 -0.591 0.000 0.802 97 Q CB 2.125 30.277 28.738 -0.976 0.000 1.444 97 Q HN 0.216 nan 8.270 nan 0.000 0.429 98 T N -2.085 112.348 114.554 -0.201 0.000 2.766 98 T HA 0.121 4.471 4.350 -0.001 0.000 0.295 98 T C 0.753 175.569 174.700 0.193 0.000 1.024 98 T CA -0.450 61.617 62.100 -0.055 0.000 1.018 98 T CB 0.317 69.186 68.868 0.002 0.000 1.002 98 T HN 0.575 nan 8.240 nan 0.000 0.532 99 F N 1.144 121.188 119.950 0.157 0.000 2.091 99 F HA -0.135 4.391 4.527 -0.001 0.000 0.299 99 F C 2.434 178.460 175.800 0.377 0.000 1.103 99 F CA 2.320 60.494 58.000 0.290 0.000 1.228 99 F CB -0.327 38.723 39.000 0.082 0.000 0.984 99 F HN 0.767 nan 8.300 nan 0.000 0.477 100 E N 0.408 120.866 120.200 0.430 0.000 2.107 100 E HA -0.164 4.185 4.350 -0.001 0.000 0.191 100 E C 2.017 178.777 176.600 0.268 0.000 0.982 100 E CA 1.643 58.255 56.400 0.352 0.000 0.809 100 E CB -0.281 29.611 29.700 0.320 0.000 0.756 100 E HN 0.608 nan 8.360 nan 0.000 0.459 101 E N -1.016 119.292 120.200 0.180 0.000 2.051 101 E HA -0.192 4.157 4.350 -0.001 0.000 0.192 101 E C 1.802 178.478 176.600 0.128 0.000 0.991 101 E CA 1.163 57.622 56.400 0.099 0.000 0.799 101 E CB -0.232 29.459 29.700 -0.015 0.000 0.748 101 E HN 0.350 nan 8.360 nan 0.000 0.449 102 Y N -0.600 119.762 120.300 0.103 0.000 2.224 102 Y HA -0.245 4.304 4.550 -0.001 0.000 0.289 102 Y C 2.186 178.108 175.900 0.036 0.000 1.146 102 Y CA 1.206 59.316 58.100 0.016 0.000 1.182 102 Y CB -0.696 37.820 38.460 0.094 0.000 0.983 102 Y HN 0.187 nan 8.280 nan 0.000 0.524 103 Y N 0.919 121.317 120.300 0.163 0.000 2.128 103 Y HA -0.284 4.265 4.550 -0.001 0.000 0.284 103 Y C 2.257 178.191 175.900 0.057 0.000 1.154 103 Y CA 1.853 59.985 58.100 0.052 0.000 1.149 103 Y CB -0.336 38.136 38.460 0.021 0.000 0.976 103 Y HN 0.063 nan 8.280 nan 0.000 0.505 104 Q N -1.140 118.667 119.800 0.012 0.000 2.123 104 Q HA -0.191 4.148 4.340 -0.001 0.000 0.199 104 Q C 2.158 178.165 176.000 0.011 0.000 0.966 104 Q CA 1.690 57.459 55.803 -0.058 0.000 0.845 104 Q CB -0.565 28.239 28.738 0.110 0.000 0.907 104 Q HN 0.656 nan 8.270 nan 0.000 0.439 105 H N -0.427 118.661 119.070 0.029 0.000 2.562 105 H HA 0.054 4.610 4.556 -0.001 0.000 0.267 105 H C 0.322 175.736 175.328 0.143 0.000 0.959 105 H CA 0.693 56.796 56.048 0.091 0.000 1.204 105 H CB 0.963 30.745 29.762 0.033 0.000 1.430 105 H HN 0.217 nan 8.280 nan 0.000 0.545 106 D N -1.434 119.064 120.400 0.162 0.000 2.954 106 D HA 0.004 4.643 4.640 -0.001 0.000 0.266 106 D C 1.557 177.913 176.300 0.093 0.000 1.277 106 D CA 0.308 54.398 54.000 0.152 0.000 1.130 106 D CB 0.243 41.085 40.800 0.072 0.000 1.440 106 D HN 0.110 nan 8.370 nan 0.000 0.427 107 T N 2.521 117.068 114.554 -0.012 0.000 2.833 107 T HA -0.142 4.207 4.350 -0.001 0.000 0.269 107 T C 1.939 176.490 174.700 -0.248 0.000 1.054 107 T CA 1.380 63.435 62.100 -0.075 0.000 1.135 107 T CB -0.072 68.611 68.868 -0.309 0.000 0.869 107 T HN 0.247 nan 8.240 nan 0.000 0.466 108 K N 0.745 120.817 120.400 -0.547 0.000 2.211 108 K HA -0.140 4.180 4.320 -0.001 0.000 0.203 108 K C 1.903 178.252 176.600 -0.419 0.000 1.050 108 K CA 1.354 57.296 56.287 -0.575 0.000 0.945 108 K CB -0.340 31.592 32.500 -0.947 0.000 0.732 108 K HN 0.397 nan 8.250 nan 0.000 0.451 109 H N 0.965 119.957 119.070 -0.129 0.000 2.403 109 H HA 0.070 4.625 4.556 -0.001 0.000 0.298 109 H C 2.278 177.609 175.328 0.004 0.000 1.059 109 H CA 1.328 57.352 56.048 -0.040 0.000 1.363 109 H CB -0.114 29.631 29.762 -0.029 0.000 1.410 109 H HN 0.183 nan 8.280 nan 0.000 0.528 110 I N 0.789 121.442 120.570 0.137 0.000 2.163 110 I HA -0.272 3.897 4.170 -0.001 0.000 0.243 110 I C 2.418 178.568 176.117 0.055 0.000 1.085 110 I CA 1.114 62.552 61.300 0.230 0.000 1.347 110 I CB -0.250 37.953 38.000 0.337 0.000 1.044 110 I HN 0.095 nan 8.210 nan 0.000 0.408 111 L N -0.442 120.584 121.223 -0.328 0.000 2.093 111 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 111 L C 2.641 179.168 176.870 -0.572 0.000 1.085 111 L CA 1.041 55.449 54.840 -0.720 0.000 0.755 111 L CB -0.456 40.606 42.059 -1.662 0.000 0.904 111 L HN 0.154 nan 8.230 nan 0.000 0.435 112 S N -0.102 115.379 115.700 -0.366 0.000 2.383 112 S HA -0.103 4.366 4.470 -0.001 0.000 0.227 112 S C 1.698 176.273 174.600 -0.042 0.000 1.026 112 S CA 1.055 59.281 58.200 0.042 0.000 0.981 112 S CB -0.216 63.065 63.200 0.135 0.000 0.818 112 S HN 0.444 nan 8.310 nan 0.000 0.472 113 N N 1.833 120.508 118.700 -0.041 0.000 2.270 113 N HA 0.109 4.848 4.740 -0.001 0.000 0.181 113 N C 1.724 176.935 175.510 -0.498 0.000 1.016 113 N CA 0.999 53.984 53.050 -0.109 0.000 0.870 113 N CB -0.527 38.010 38.487 0.084 0.000 0.979 113 N HN 0.387 nan 8.380 nan 0.000 0.431 114 A N 1.081 123.639 122.820 -0.437 0.000 1.902 114 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 114 A C 2.186 179.487 177.584 -0.471 0.000 1.181 114 A CA 0.913 52.512 52.037 -0.730 0.000 0.623 114 A CB -0.652 18.216 19.000 -0.220 0.000 0.818 114 A HN 0.227 nan 8.150 nan 0.000 0.443 115 L N 0.118 121.205 121.223 -0.226 0.000 2.017 115 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 115 L C 2.464 179.246 176.870 -0.147 0.000 1.073 115 L CA 2.543 57.323 54.840 -0.099 0.000 0.745 115 L CB -0.647 41.422 42.059 0.017 0.000 0.894 115 L HN 0.501 nan 8.230 nan 0.000 0.432 116 R N -1.645 118.723 120.500 -0.220 0.000 2.062 116 R HA -0.175 4.164 4.340 -0.001 0.000 0.231 116 R C 2.351 178.428 176.300 -0.373 0.000 1.136 116 R CA 1.682 57.623 56.100 -0.265 0.000 0.948 116 R CB -0.559 29.556 30.300 -0.307 0.000 0.845 116 R HN 0.558 nan 8.270 nan 0.000 0.430 117 H N 0.549 119.320 119.070 -0.498 0.000 2.357 117 H HA -0.073 4.482 4.556 -0.001 0.000 0.301 117 H C 2.283 177.394 175.328 -0.360 0.000 1.082 117 H CA 1.647 57.393 56.048 -0.504 0.000 1.342 117 H CB -0.000 29.224 29.762 -0.896 0.000 1.389 117 H HN 0.241 nan 8.280 nan 0.000 0.511 118 L N -0.054 120.990 121.223 -0.298 0.000 2.056 118 L HA -0.181 4.158 4.340 -0.001 0.000 0.207 118 L C 2.767 179.595 176.870 -0.070 0.000 1.078 118 L CA 1.089 55.840 54.840 -0.148 0.000 0.749 118 L CB -0.639 41.347 42.059 -0.121 0.000 0.901 118 L HN 0.393 nan 8.230 nan 0.000 0.433 119 H N 0.551 119.541 119.070 -0.133 0.000 2.352 119 H HA -0.197 4.358 4.556 -0.001 0.000 0.299 119 H C 1.269 176.548 175.328 -0.082 0.000 1.097 119 H CA 2.010 58.005 56.048 -0.088 0.000 1.311 119 H CB 0.215 29.922 29.762 -0.091 0.000 1.377 119 H HN 0.324 nan 8.280 nan 0.000 0.504 120 D N 0.234 120.567 120.400 -0.112 0.000 2.347 120 D HA -0.028 4.611 4.640 -0.001 0.000 0.215 120 D C -0.081 176.159 176.300 -0.099 0.000 0.976 120 D CA 0.552 54.474 54.000 -0.131 0.000 0.884 120 D CB -0.173 40.572 40.800 -0.091 0.000 0.915 120 D HN 0.405 nan 8.370 nan 0.000 0.526 121 N N 0.041 118.698 118.700 -0.071 0.000 2.716 121 N HA 0.178 4.918 4.740 -0.001 0.000 0.253 121 N C -2.196 173.310 175.510 -0.007 0.000 1.170 121 N CA -1.083 51.964 53.050 -0.005 0.000 0.807 121 N CB 2.209 40.725 38.487 0.049 0.000 1.183 121 N HN -0.205 nan 8.380 nan 0.000 0.524 122 P HA -0.181 nan 4.420 nan 0.000 0.218 122 P C 0.684 178.009 177.300 0.042 0.000 1.146 122 P CA 1.199 64.294 63.100 -0.010 0.000 0.813 122 P CB 0.390 32.076 31.700 -0.023 0.000 0.778 123 E N -1.748 118.509 120.200 0.095 0.000 2.447 123 E HA 0.064 4.413 4.350 -0.001 0.000 0.195 123 E C 0.834 177.571 176.600 0.229 0.000 1.028 123 E CA 0.048 56.548 56.400 0.166 0.000 0.876 123 E CB -0.381 29.449 29.700 0.217 0.000 0.885 123 E HN 0.261 nan 8.360 nan 0.000 0.500 124 M N 1.558 121.227 119.600 0.115 0.000 2.243 124 M HA 0.114 4.593 4.480 -0.001 0.000 0.341 124 M C -0.354 175.918 176.300 -0.047 0.000 1.130 124 M CA 0.181 55.433 55.300 -0.081 0.000 1.162 124 M CB 0.488 33.020 32.600 -0.114 0.000 1.497 124 M HN -0.361 nan 8.290 nan 0.000 0.456 125 K N 3.082 123.413 120.400 -0.116 0.000 2.444 125 K HA 0.650 4.970 4.320 -0.001 0.000 0.252 125 K C -1.756 174.868 176.600 0.040 0.000 0.993 125 K CA -0.469 55.815 56.287 -0.006 0.000 0.847 125 K CB 2.166 34.690 32.500 0.040 0.000 1.340 125 K HN 0.678 nan 8.250 nan 0.000 0.446 126 F N 1.473 121.331 119.950 -0.154 0.000 2.654 126 F HA 0.444 4.970 4.527 -0.001 0.000 0.314 126 F C -1.461 174.227 175.800 -0.186 0.000 1.116 126 F CA -1.230 56.665 58.000 -0.174 0.000 1.017 126 F CB 1.018 39.997 39.000 -0.035 0.000 1.285 126 F HN 0.450 nan 8.300 nan 0.000 0.448 127 I N 1.987 122.224 120.570 -0.555 0.000 2.562 127 I HA 0.593 4.762 4.170 -0.001 0.000 0.301 127 I C -1.701 173.977 176.117 -0.732 0.000 1.003 127 I CA -0.607 60.326 61.300 -0.612 0.000 1.127 127 I CB 2.436 40.007 38.000 -0.715 0.000 1.304 127 I HN 0.691 nan 8.210 nan 0.000 0.446 128 W N 4.691 125.593 121.300 -0.663 0.000 2.839 128 W HA 0.637 5.297 4.660 -0.001 0.000 0.334 128 W C -0.715 175.719 176.519 -0.142 0.000 1.064 128 W CA -0.553 56.534 57.345 -0.429 0.000 1.236 128 W CB 2.675 31.935 29.460 -0.334 0.000 1.405 128 W HN 0.786 nan 8.180 nan 0.000 0.478 129 A N 3.462 125.895 122.820 -0.645 0.000 2.013 129 A HA 0.159 4.478 4.320 -0.001 0.000 0.204 129 A C -0.029 177.508 177.584 -0.078 0.000 1.262 129 A CA 0.477 52.387 52.037 -0.213 0.000 0.800 129 A CB 0.027 18.960 19.000 -0.111 0.000 0.909 129 A HN 0.505 nan 8.150 nan 0.000 0.472 130 E N 0.979 121.035 120.200 -0.240 0.000 2.001 130 E HA 0.314 4.664 4.350 -0.001 0.000 0.279 130 E C 0.421 177.196 176.600 0.291 0.000 1.045 130 E CA -0.305 56.126 56.400 0.050 0.000 0.833 130 E CB 0.792 30.520 29.700 0.046 0.000 1.077 130 E HN 0.261 nan 8.360 nan 0.000 0.397 131 I N 1.541 122.178 120.570 0.113 0.000 2.676 131 I HA -0.198 3.971 4.170 -0.001 0.000 0.259 131 I C 1.954 177.733 176.117 -0.565 0.000 1.194 131 I CA 0.926 62.212 61.300 -0.022 0.000 1.473 131 I CB -1.401 36.638 38.000 0.065 0.000 1.096 131 I HN 0.418 nan 8.210 nan 0.000 0.443 132 S N 1.067 116.133 115.700 -1.057 0.000 2.365 132 S HA -0.265 4.205 4.470 -0.001 0.000 0.225 132 S C 2.141 176.450 174.600 -0.484 0.000 1.039 132 S CA 1.307 58.495 58.200 -1.688 0.000 1.033 132 S CB -1.037 61.254 63.200 -1.515 0.000 0.887 132 S HN 0.364 nan 8.310 nan 0.000 0.447 133 Y N 0.551 120.885 120.300 0.057 0.000 2.263 133 Y HA 0.153 4.702 4.550 -0.001 0.000 0.292 133 Y C 2.197 178.151 175.900 0.091 0.000 1.130 133 Y CA 0.316 58.534 58.100 0.197 0.000 1.179 133 Y CB -0.855 37.819 38.460 0.357 0.000 0.998 133 Y HN 0.334 nan 8.280 nan 0.000 0.532 134 F N -0.040 119.973 119.950 0.105 0.000 2.146 134 F HA -0.146 4.381 4.527 -0.001 0.000 0.298 134 F C 2.322 177.936 175.800 -0.311 0.000 1.096 134 F CA 1.230 59.165 58.000 -0.109 0.000 1.275 134 F CB -0.406 38.523 39.000 -0.118 0.000 1.008 134 F HN -0.023 nan 8.300 nan 0.000 0.480 135 A N 0.142 122.602 122.820 -0.600 0.000 1.930 135 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 135 A C 2.135 179.602 177.584 -0.196 0.000 1.175 135 A CA 1.628 53.145 52.037 -0.867 0.000 0.627 135 A CB -0.711 17.629 19.000 -1.100 0.000 0.815 135 A HN 0.380 nan 8.150 nan 0.000 0.443 136 R N -0.986 119.437 120.500 -0.128 0.000 2.105 136 R HA -0.137 4.202 4.340 -0.001 0.000 0.239 136 R C 1.710 177.936 176.300 -0.123 0.000 1.135 136 R CA 2.040 58.070 56.100 -0.116 0.000 0.967 136 R CB -0.823 29.359 30.300 -0.197 0.000 0.861 136 R HN 0.488 nan 8.270 nan 0.000 0.442 137 F N -0.390 119.457 119.950 -0.171 0.000 2.098 137 F HA -0.077 4.450 4.527 -0.001 0.000 0.294 137 F C 1.943 177.654 175.800 -0.148 0.000 1.107 137 F CA 1.466 59.437 58.000 -0.050 0.000 1.234 137 F CB -0.809 38.098 39.000 -0.155 0.000 1.002 137 F HN 0.113 nan 8.300 nan 0.000 0.472 138 Y N 0.306 120.377 120.300 -0.383 0.000 2.207 138 Y HA -0.269 4.280 4.550 -0.001 0.000 0.287 138 Y C 2.598 178.294 175.900 -0.340 0.000 1.156 138 Y CA 2.247 60.107 58.100 -0.401 0.000 1.182 138 Y CB -0.744 37.606 38.460 -0.183 0.000 0.979 138 Y HN 0.144 nan 8.280 nan 0.000 0.521 139 H N -0.795 118.277 119.070 0.002 0.000 2.524 139 H HA -0.057 4.499 4.556 -0.001 0.000 0.282 139 H C 0.900 176.120 175.328 -0.180 0.000 1.016 139 H CA 1.354 57.361 56.048 -0.069 0.000 1.270 139 H CB -0.041 29.753 29.762 0.052 0.000 1.394 139 H HN 0.457 nan 8.280 nan 0.000 0.568 140 D N -0.012 120.292 120.400 -0.159 0.000 2.339 140 D HA 0.092 4.731 4.640 -0.001 0.000 0.217 140 D C 0.554 176.672 176.300 -0.305 0.000 1.050 140 D CA 0.056 53.947 54.000 -0.181 0.000 0.856 140 D CB 0.416 41.142 40.800 -0.123 0.000 0.922 140 D HN 0.194 nan 8.370 nan 0.000 0.518 141 L N 0.383 121.332 121.223 -0.457 0.000 2.395 141 L HA 0.391 4.731 4.340 -0.001 0.000 0.269 141 L C 1.349 178.033 176.870 -0.310 0.000 1.133 141 L CA -0.707 53.863 54.840 -0.451 0.000 0.812 141 L CB 1.057 42.776 42.059 -0.567 0.000 1.125 141 L HN -0.049 nan 8.230 nan 0.000 0.452 142 G N 0.409 109.075 108.800 -0.225 0.000 2.572 142 G HA2 0.082 4.042 3.960 -0.001 0.000 0.261 142 G HA3 0.082 4.042 3.960 -0.001 0.000 0.261 142 G C 0.596 175.403 174.900 -0.155 0.000 1.197 142 G CA -0.281 44.726 45.100 -0.155 0.000 0.870 142 G HN 0.774 nan 8.290 nan 0.000 0.548 143 E N 0.131 120.268 120.200 -0.105 0.000 2.130 143 E HA -0.214 4.135 4.350 -0.001 0.000 0.196 143 E C 2.198 178.763 176.600 -0.059 0.000 0.998 143 E CA 1.651 58.006 56.400 -0.074 0.000 0.806 143 E CB -0.117 29.562 29.700 -0.034 0.000 0.738 143 E HN 0.602 nan 8.360 nan 0.000 0.459 144 N N 0.052 118.716 118.700 -0.060 0.000 2.069 144 N HA -0.196 4.543 4.740 -0.001 0.000 0.191 144 N C 1.442 176.917 175.510 -0.059 0.000 1.031 144 N CA 1.313 54.332 53.050 -0.051 0.000 0.852 144 N CB 0.019 38.472 38.487 -0.057 0.000 1.018 144 N HN 0.038 nan 8.380 nan 0.000 0.423 145 K N 1.170 121.519 120.400 -0.085 0.000 2.103 145 K HA -0.025 4.295 4.320 -0.001 0.000 0.204 145 K C 2.035 178.608 176.600 -0.044 0.000 1.052 145 K CA 0.651 56.890 56.287 -0.080 0.000 0.945 145 K CB -0.169 32.262 32.500 -0.115 0.000 0.722 145 K HN 0.319 nan 8.250 nan 0.000 0.443 146 K N 0.809 121.152 120.400 -0.096 0.000 2.063 146 K HA -0.067 4.252 4.320 -0.001 0.000 0.208 146 K C 2.263 178.940 176.600 0.128 0.000 1.048 146 K CA 1.020 57.285 56.287 -0.036 0.000 0.928 146 K CB -0.164 32.227 32.500 -0.181 0.000 0.713 146 K HN 0.039 nan 8.250 nan 0.000 0.442 147 L N 0.978 122.242 121.223 0.069 0.000 2.056 147 L HA -0.210 4.129 4.340 -0.001 0.000 0.207 147 L C 2.566 179.490 176.870 0.091 0.000 1.078 147 L CA 1.260 56.153 54.840 0.087 0.000 0.749 147 L CB -0.352 41.736 42.059 0.048 0.000 0.901 147 L HN 0.255 nan 8.230 nan 0.000 0.433 148 Q N -0.888 118.944 119.800 0.055 0.000 2.084 148 Q HA -0.271 4.068 4.340 -0.001 0.000 0.202 148 Q C 2.208 178.281 176.000 0.122 0.000 0.978 148 Q CA 1.734 57.569 55.803 0.053 0.000 0.844 148 Q CB -0.185 28.527 28.738 -0.043 0.000 0.898 148 Q HN 0.359 nan 8.270 nan 0.000 0.426 149 M N 1.160 120.861 119.600 0.169 0.000 2.086 149 M HA -0.157 4.322 4.480 -0.001 0.000 0.261 149 M C 1.627 178.098 176.300 0.286 0.000 1.067 149 M CA 1.762 57.227 55.300 0.274 0.000 1.116 149 M CB -0.001 32.844 32.600 0.408 0.000 1.348 149 M HN -0.096 nan 8.290 nan 0.000 0.407 150 K N -1.036 119.528 120.400 0.274 0.000 2.152 150 K HA -0.144 4.176 4.320 -0.001 0.000 0.206 150 K C 2.279 178.975 176.600 0.161 0.000 1.048 150 K CA 1.554 57.979 56.287 0.230 0.000 0.933 150 K CB -0.419 32.200 32.500 0.199 0.000 0.721 150 K HN 0.411 nan 8.250 nan 0.000 0.447 151 S N 1.493 117.277 115.700 0.139 0.000 2.368 151 S HA -0.086 4.383 4.470 -0.001 0.000 0.224 151 S C 1.928 176.587 174.600 0.099 0.000 1.029 151 S CA 1.050 59.315 58.200 0.108 0.000 0.988 151 S CB -0.211 63.053 63.200 0.108 0.000 0.838 151 S HN 0.392 nan 8.310 nan 0.000 0.462 152 I N -0.877 119.761 120.570 0.113 0.000 2.830 152 I HA 0.059 4.229 4.170 -0.001 0.000 0.263 152 I C 1.794 177.946 176.117 0.059 0.000 1.230 152 I CA 0.623 61.972 61.300 0.081 0.000 1.480 152 I CB -0.326 37.721 38.000 0.078 0.000 1.095 152 I HN 0.095 nan 8.210 nan 0.000 0.455 153 V N 1.508 121.476 119.914 0.091 0.000 2.379 153 V HA -0.162 3.957 4.120 -0.001 0.000 0.243 153 V C 2.678 178.809 176.094 0.062 0.000 1.035 153 V CA 1.837 64.179 62.300 0.070 0.000 1.035 153 V CB -0.648 31.280 31.823 0.176 0.000 0.673 153 V HN 0.413 nan 8.190 nan 0.000 0.457 154 K N 0.523 120.968 120.400 0.075 0.000 2.097 154 K HA -0.153 4.167 4.320 -0.001 0.000 0.206 154 K C 1.444 178.063 176.600 0.032 0.000 1.049 154 K CA 1.489 57.807 56.287 0.052 0.000 0.933 154 K CB -0.087 32.446 32.500 0.055 0.000 0.717 154 K HN 0.430 nan 8.250 nan 0.000 0.442 155 N N -0.147 118.573 118.700 0.032 0.000 2.370 155 N HA 0.026 4.765 4.740 -0.001 0.000 0.198 155 N C 0.554 176.070 175.510 0.009 0.000 1.156 155 N CA 0.917 53.978 53.050 0.019 0.000 0.839 155 N CB 1.038 39.538 38.487 0.023 0.000 0.989 155 N HN 0.453 nan 8.380 nan 0.000 0.468 156 G N 1.115 109.917 108.800 0.002 0.000 2.162 156 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.260 156 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.260 156 G C 0.935 175.821 174.900 -0.023 0.000 0.976 156 G CA 0.442 45.532 45.100 -0.017 0.000 0.655 156 G HN 0.397 nan 8.290 nan 0.000 0.533 157 Q N -1.374 118.420 119.800 -0.010 0.000 2.096 157 Q HA 0.211 4.551 4.340 -0.001 0.000 0.197 157 Q C 1.174 177.165 176.000 -0.015 0.000 0.964 157 Q CA 0.996 56.797 55.803 -0.003 0.000 0.838 157 Q CB 0.187 28.929 28.738 0.006 0.000 0.906 157 Q HN 0.580 nan 8.270 nan 0.000 0.444 158 L N 1.304 122.500 121.223 -0.044 0.000 2.265 158 L HA 0.292 4.631 4.340 -0.001 0.000 0.289 158 L C -0.938 175.756 176.870 -0.293 0.000 1.033 158 L CA -0.060 54.709 54.840 -0.118 0.000 0.814 158 L CB 1.421 43.420 42.059 -0.099 0.000 1.203 158 L HN -0.073 nan 8.230 nan 0.000 0.423 159 E N 4.272 124.262 120.200 -0.349 0.000 2.210 159 E HA 0.360 4.709 4.350 -0.001 0.000 0.266 159 E C -1.468 174.857 176.600 -0.458 0.000 0.883 159 E CA -0.751 55.443 56.400 -0.344 0.000 0.761 159 E CB 0.999 30.578 29.700 -0.202 0.000 1.156 159 E HN 0.492 nan 8.360 nan 0.000 0.412 160 F N 3.236 123.135 119.950 -0.085 0.000 2.427 160 F HA 0.213 4.739 4.527 -0.001 0.000 0.352 160 F C 0.285 176.047 175.800 -0.064 0.000 1.100 160 F CA -0.502 57.458 58.000 -0.066 0.000 1.191 160 F CB 1.234 40.207 39.000 -0.045 0.000 1.128 160 F HN 0.187 nan 8.300 nan 0.000 0.533 161 V N 0.141 120.105 119.914 0.082 0.000 2.495 161 V HA 0.653 4.772 4.120 -0.001 0.000 0.298 161 V C 0.282 176.495 176.094 0.198 0.000 1.031 161 V CA -0.517 61.828 62.300 0.074 0.000 0.871 161 V CB 0.927 32.674 31.823 -0.127 0.000 0.988 161 V HN 0.976 nan 8.190 nan 0.000 0.432 162 T N 3.245 117.991 114.554 0.320 0.000 13.132 162 T HA -0.304 4.045 4.350 -0.001 0.000 0.419 162 T C 1.713 176.641 174.700 0.379 0.000 1.442 162 T CA 2.969 65.316 62.100 0.410 0.000 2.366 162 T CB -1.677 67.338 68.868 0.245 0.000 2.813 162 T HN 2.787 nan 8.240 nan 0.000 0.650 163 G N 1.692 110.653 108.800 0.268 0.000 2.132 163 G HA2 0.122 4.081 3.960 -0.001 0.000 0.234 163 G HA3 0.122 4.081 3.960 -0.001 0.000 0.234 163 G C 0.290 175.333 174.900 0.238 0.000 0.989 163 G CA 0.557 45.793 45.100 0.227 0.000 0.676 163 G HN 1.541 nan 8.290 nan 0.000 0.522 164 G N -1.593 107.347 108.800 0.232 0.000 2.572 164 G HA2 0.376 4.336 3.960 -0.001 0.000 0.261 164 G HA3 0.376 4.336 3.960 -0.001 0.000 0.261 164 G C 0.977 176.061 174.900 0.306 0.000 1.197 164 G CA 0.171 45.421 45.100 0.251 0.000 0.870 164 G HN 0.329 nan 8.290 nan 0.000 0.548 165 W N 0.376 121.723 121.300 0.079 0.000 2.325 165 W HA -0.054 4.605 4.660 -0.001 0.000 0.299 165 W C 0.726 177.282 176.519 0.061 0.000 1.215 165 W CA 1.922 59.300 57.345 0.055 0.000 1.244 165 W CB 0.244 29.720 29.460 0.026 0.000 1.140 165 W HN 0.405 nan 8.180 nan 0.000 0.523 166 V N -2.709 117.334 119.914 0.215 0.000 3.105 166 V HA 0.505 4.624 4.120 -0.001 0.000 0.311 166 V C -0.455 175.731 176.094 0.152 0.000 1.287 166 V CA -1.290 61.082 62.300 0.119 0.000 1.066 166 V CB 1.732 33.642 31.823 0.145 0.000 1.105 166 V HN -0.050 nan 8.190 nan 0.000 0.462 167 M N 3.991 123.707 119.600 0.193 0.000 2.103 167 M HA 0.521 5.001 4.480 -0.001 0.000 0.350 167 M C -2.701 173.753 176.300 0.258 0.000 1.100 167 M CA -1.905 53.519 55.300 0.206 0.000 1.042 167 M CB 1.481 34.223 32.600 0.237 0.000 1.368 167 M HN 0.649 nan 8.290 nan 0.000 0.404 168 P HA 0.101 nan 4.420 nan 0.000 0.274 168 P C -0.937 176.374 177.300 0.017 0.000 1.231 168 P CA -0.119 63.032 63.100 0.085 0.000 0.790 168 P CB 0.565 32.303 31.700 0.063 0.000 0.951 169 D N 0.866 121.242 120.400 -0.040 0.000 2.449 169 D HA -0.068 4.572 4.640 -0.001 0.000 0.236 169 D C 0.681 176.996 176.300 0.025 0.000 1.149 169 D CA 0.606 54.563 54.000 -0.071 0.000 0.878 169 D CB 0.445 41.220 40.800 -0.042 0.000 1.198 169 D HN 0.318 nan 8.370 nan 0.000 0.446 170 E N 1.370 121.629 120.200 0.099 0.000 2.526 170 E HA 0.196 4.546 4.350 -0.001 0.000 0.208 170 E C 0.854 177.641 176.600 0.311 0.000 0.997 170 E CA 0.018 56.544 56.400 0.209 0.000 0.961 170 E CB 0.706 30.540 29.700 0.224 0.000 1.030 170 E HN 0.471 nan 8.360 nan 0.000 0.483 171 A N 1.507 124.461 122.820 0.225 0.000 1.887 171 A HA 0.022 4.342 4.320 -0.001 0.000 0.210 171 A C 1.814 179.285 177.584 -0.189 0.000 1.221 171 A CA 0.580 52.508 52.037 -0.181 0.000 0.635 171 A CB 0.031 18.897 19.000 -0.223 0.000 0.881 171 A HN 0.031 nan 8.150 nan 0.000 0.456 172 N N 0.663 119.345 118.700 -0.030 0.000 2.356 172 N HA 0.013 4.753 4.740 -0.001 0.000 0.178 172 N C 0.404 175.905 175.510 -0.016 0.000 1.075 172 N CA 0.733 53.759 53.050 -0.041 0.000 0.889 172 N CB 0.106 38.616 38.487 0.039 0.000 0.999 172 N HN 0.500 nan 8.380 nan 0.000 0.464 173 S N 0.722 116.423 115.700 0.003 0.000 2.564 173 S HA 0.041 4.510 4.470 -0.001 0.000 0.278 173 S C 0.018 174.629 174.600 0.019 0.000 1.333 173 S CA -0.571 57.641 58.200 0.020 0.000 1.048 173 S CB 1.162 64.377 63.200 0.025 0.000 0.900 173 S HN 0.201 nan 8.310 nan 0.000 0.505 174 H N 3.425 122.473 119.070 -0.036 0.000 2.582 174 H HA 0.043 4.598 4.556 -0.001 0.000 0.345 174 H C 1.236 176.533 175.328 -0.052 0.000 1.104 174 H CA -0.247 55.764 56.048 -0.062 0.000 1.390 174 H CB 0.538 30.213 29.762 -0.144 0.000 1.461 174 H HN 1.031 nan 8.280 nan 0.000 0.551 175 W N 5.837 127.046 121.300 -0.151 0.000 2.350 175 W HA -0.163 4.496 4.660 -0.001 0.000 0.289 175 W C 1.040 177.630 176.519 0.118 0.000 1.215 175 W CA 0.371 57.705 57.345 -0.019 0.000 1.236 175 W CB -0.443 28.945 29.460 -0.119 0.000 1.130 175 W HN 0.532 nan 8.180 nan 0.000 0.541 176 R N 0.779 120.903 120.500 -0.627 0.000 2.096 176 R HA -0.128 4.212 4.340 -0.001 0.000 0.235 176 R C 1.993 178.130 176.300 -0.272 0.000 1.127 176 R CA 1.840 57.478 56.100 -0.769 0.000 0.968 176 R CB -0.400 29.386 30.300 -0.857 0.000 0.861 176 R HN 0.144 nan 8.270 nan 0.000 0.440 177 N N -0.193 118.431 118.700 -0.127 0.000 2.376 177 N HA -0.054 4.686 4.740 -0.001 0.000 0.177 177 N C 1.707 177.220 175.510 0.004 0.000 1.024 177 N CA 0.678 53.695 53.050 -0.055 0.000 0.893 177 N CB 0.035 38.509 38.487 -0.021 0.000 0.980 177 N HN -0.000 nan 8.380 nan 0.000 0.439 178 V N 1.418 121.358 119.914 0.043 0.000 2.343 178 V HA -0.165 3.955 4.120 -0.001 0.000 0.247 178 V C 2.323 178.460 176.094 0.072 0.000 1.051 178 V CA 1.037 63.381 62.300 0.072 0.000 1.036 178 V CB -0.461 31.425 31.823 0.105 0.000 0.654 178 V HN 0.187 nan 8.190 nan 0.000 0.451 179 L N -0.330 120.945 121.223 0.087 0.000 2.083 179 L HA -0.113 4.226 4.340 -0.001 0.000 0.209 179 L C 2.158 179.038 176.870 0.016 0.000 1.083 179 L CA 1.783 56.666 54.840 0.072 0.000 0.752 179 L CB -0.658 41.476 42.059 0.125 0.000 0.899 179 L HN 0.282 nan 8.230 nan 0.000 0.433 180 L N -0.116 121.096 121.223 -0.019 0.000 2.017 180 L HA -0.243 4.096 4.340 -0.001 0.000 0.208 180 L C 2.580 179.438 176.870 -0.019 0.000 1.073 180 L CA 2.311 57.128 54.840 -0.038 0.000 0.745 180 L CB -0.762 41.256 42.059 -0.069 0.000 0.894 180 L HN 0.669 nan 8.230 nan 0.000 0.432 181 Q N -1.001 118.810 119.800 0.018 0.000 2.172 181 Q HA -0.184 4.156 4.340 -0.001 0.000 0.200 181 Q C 2.007 178.087 176.000 0.134 0.000 0.964 181 Q CA 1.990 57.837 55.803 0.073 0.000 0.855 181 Q CB -1.130 27.689 28.738 0.135 0.000 0.918 181 Q HN 0.471 nan 8.270 nan 0.000 0.444 182 L N 0.807 122.095 121.223 0.109 0.000 2.017 182 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 182 L C 1.923 178.870 176.870 0.130 0.000 1.073 182 L CA 2.442 57.361 54.840 0.131 0.000 0.745 182 L CB -1.010 41.104 42.059 0.091 0.000 0.894 182 L HN 0.320 nan 8.230 nan 0.000 0.432 183 T N -0.948 113.650 114.554 0.074 0.000 2.788 183 T HA -0.181 4.169 4.350 -0.001 0.000 0.268 183 T C 1.724 176.472 174.700 0.079 0.000 1.044 183 T CA 1.432 63.568 62.100 0.060 0.000 1.139 183 T CB -0.171 68.703 68.868 0.011 0.000 0.867 183 T HN 0.332 nan 8.240 nan 0.000 0.454 184 E N 1.004 121.222 120.200 0.031 0.000 2.051 184 E HA -0.033 4.316 4.350 -0.001 0.000 0.192 184 E C 2.349 179.061 176.600 0.186 0.000 0.991 184 E CA 1.519 57.887 56.400 -0.053 0.000 0.799 184 E CB -0.859 28.613 29.700 -0.379 0.000 0.748 184 E HN 0.445 nan 8.360 nan 0.000 0.449 185 G N -0.099 108.916 108.800 0.357 0.000 2.402 185 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.216 185 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.216 185 G C 1.478 176.598 174.900 0.366 0.000 1.162 185 G CA 0.640 46.046 45.100 0.511 0.000 0.777 185 G HN 0.262 nan 8.290 nan 0.000 0.539 186 Q N -0.156 119.794 119.800 0.250 0.000 2.172 186 Q HA -0.051 4.289 4.340 -0.001 0.000 0.200 186 Q C 2.757 178.851 176.000 0.157 0.000 0.964 186 Q CA 1.381 57.290 55.803 0.177 0.000 0.855 186 Q CB -0.192 28.632 28.738 0.143 0.000 0.918 186 Q HN 0.398 nan 8.270 nan 0.000 0.444 187 T N 0.166 114.824 114.554 0.172 0.000 2.821 187 T HA -0.175 4.175 4.350 -0.001 0.000 0.267 187 T C 1.085 175.877 174.700 0.155 0.000 1.046 187 T CA 0.987 63.162 62.100 0.125 0.000 1.139 187 T CB -0.331 68.608 68.868 0.117 0.000 0.871 187 T HN 0.473 nan 8.240 nan 0.000 0.454 188 W N 1.562 122.956 121.300 0.156 0.000 2.358 188 W HA -0.019 4.640 4.660 -0.001 0.000 0.303 188 W C 1.748 178.378 176.519 0.185 0.000 1.208 188 W CA 0.864 58.383 57.345 0.290 0.000 1.274 188 W CB -0.404 29.303 29.460 0.411 0.000 1.138 188 W HN 0.143 nan 8.180 nan 0.000 0.515 189 L N 0.628 122.047 121.223 0.326 0.000 2.083 189 L HA -0.226 4.114 4.340 -0.001 0.000 0.209 189 L C 2.599 179.394 176.870 -0.124 0.000 1.083 189 L CA 1.781 56.644 54.840 0.040 0.000 0.752 189 L CB -0.870 41.157 42.059 -0.053 0.000 0.899 189 L HN -0.019 nan 8.230 nan 0.000 0.433 190 K N 0.002 120.347 120.400 -0.091 0.000 2.057 190 K HA -0.243 4.076 4.320 -0.001 0.000 0.206 190 K C 2.179 178.633 176.600 -0.243 0.000 1.050 190 K CA 1.411 57.622 56.287 -0.127 0.000 0.935 190 K CB 0.017 32.470 32.500 -0.079 0.000 0.715 190 K HN 0.245 nan 8.250 nan 0.000 0.439 191 Q N -0.716 118.861 119.800 -0.371 0.000 2.046 191 Q HA -0.144 4.195 4.340 -0.001 0.000 0.200 191 Q C 1.437 176.908 176.000 -0.882 0.000 0.975 191 Q CA 1.801 57.208 55.803 -0.660 0.000 0.836 191 Q CB 0.027 28.223 28.738 -0.904 0.000 0.896 191 Q HN 0.308 nan 8.270 nan 0.000 0.428 192 F N -1.467 118.098 119.950 -0.640 0.000 2.582 192 F HA 0.121 4.647 4.527 -0.001 0.000 0.290 192 F C 1.565 177.073 175.800 -0.485 0.000 1.115 192 F CA 0.229 57.786 58.000 -0.737 0.000 1.445 192 F CB 0.414 38.477 39.000 -1.561 0.000 1.126 192 F HN 0.118 nan 8.300 nan 0.000 0.574 193 M N -1.004 118.454 119.600 -0.237 0.000 2.308 193 M HA 0.228 4.707 4.480 -0.001 0.000 0.269 193 M C 0.303 176.589 176.300 -0.024 0.000 1.040 193 M CA 0.074 55.346 55.300 -0.046 0.000 1.024 193 M CB -1.116 31.491 32.600 0.011 0.000 1.465 193 M HN 0.080 nan 8.290 nan 0.000 0.517 194 N N 1.885 120.531 118.700 -0.090 0.000 2.727 194 N HA -0.132 4.607 4.740 -0.001 0.000 0.249 194 N C -0.979 174.514 175.510 -0.028 0.000 1.048 194 N CA 0.753 53.764 53.050 -0.065 0.000 0.714 194 N CB -0.892 37.570 38.487 -0.041 0.000 0.959 194 N HN 0.365 nan 8.380 nan 0.000 0.544 195 V N -3.818 116.081 119.914 -0.025 0.000 2.971 195 V HA 0.867 4.987 4.120 -0.001 0.000 0.309 195 V C -0.029 176.052 176.094 -0.021 0.000 1.130 195 V CA -0.484 61.816 62.300 0.001 0.000 0.964 195 V CB 2.354 34.225 31.823 0.081 0.000 1.029 195 V HN 0.054 nan 8.190 nan 0.000 0.427 196 T N 4.065 118.596 114.554 -0.038 0.000 2.930 196 T HA 0.587 4.937 4.350 -0.001 0.000 0.313 196 T C -2.761 171.857 174.700 -0.136 0.000 1.019 196 T CA -0.787 61.271 62.100 -0.071 0.000 1.004 196 T CB 1.402 70.218 68.868 -0.087 0.000 0.987 196 T HN 0.768 nan 8.240 nan 0.000 0.456 197 P HA 0.191 nan 4.420 nan 0.000 0.268 197 P C 0.834 177.743 177.300 -0.652 0.000 1.205 197 P CA -0.212 62.765 63.100 -0.206 0.000 0.771 197 P CB 0.537 32.229 31.700 -0.013 0.000 0.858 198 T N -1.823 112.403 114.554 -0.546 0.000 3.040 198 T HA 0.544 4.893 4.350 -0.001 0.000 0.266 198 T C 0.345 174.850 174.700 -0.324 0.000 1.005 198 T CA -0.293 61.360 62.100 -0.745 0.000 0.906 198 T CB 0.134 68.783 68.868 -0.365 0.000 1.082 198 T HN 0.416 nan 8.240 nan 0.000 0.531 199 A N 0.840 123.631 122.820 -0.049 0.000 2.343 199 A HA 0.800 5.119 4.320 -0.001 0.000 0.316 199 A C -0.178 177.670 177.584 0.440 0.000 1.104 199 A CA -0.700 51.466 52.037 0.215 0.000 0.768 199 A CB 1.826 20.970 19.000 0.239 0.000 1.213 199 A HN 0.250 nan 8.150 nan 0.000 0.456 200 S N 2.075 118.029 115.700 0.424 0.000 2.549 200 S HA 0.665 5.135 4.470 -0.001 0.000 0.297 200 S C -1.107 173.690 174.600 0.328 0.000 1.115 200 S CA -0.432 57.959 58.200 0.319 0.000 1.059 200 S CB 0.728 63.946 63.200 0.029 0.000 1.046 200 S HN 0.790 nan 8.310 nan 0.000 0.506 201 W N 4.635 125.953 121.300 0.029 0.000 2.499 201 W HA 0.634 5.293 4.660 -0.001 0.000 0.320 201 W C -1.420 175.045 176.519 -0.089 0.000 1.010 201 W CA -0.855 56.457 57.345 -0.054 0.000 1.267 201 W CB 1.129 30.528 29.460 -0.100 0.000 1.316 201 W HN 0.777 nan 8.180 nan 0.000 0.431 202 A N 7.921 130.596 122.820 -0.242 0.000 2.893 202 A HA 0.270 4.589 4.320 -0.001 0.000 0.333 202 A C 0.377 177.703 177.584 -0.429 0.000 1.152 202 A CA -0.481 51.407 52.037 -0.248 0.000 0.782 202 A CB -0.370 18.604 19.000 -0.042 0.000 1.108 202 A HN 0.700 nan 8.150 nan 0.000 0.469 203 I N -2.607 117.508 120.570 -0.758 0.000 3.419 203 I HA 0.203 4.373 4.170 -0.001 0.000 0.286 203 I C 0.887 176.646 176.117 -0.597 0.000 1.268 203 I CA 1.074 61.886 61.300 -0.814 0.000 1.414 203 I CB 0.291 37.539 38.000 -1.253 0.000 1.074 203 I HN 0.342 nan 8.210 nan 0.000 0.457 204 D N 0.270 120.284 120.400 -0.644 0.000 2.489 204 D HA 0.238 4.877 4.640 -0.001 0.000 0.231 204 D C -2.180 173.665 176.300 -0.758 0.000 1.114 204 D CA -0.785 52.839 54.000 -0.628 0.000 0.842 204 D CB 0.072 40.411 40.800 -0.769 0.000 1.133 204 D HN 0.179 nan 8.370 nan 0.000 0.506 205 P HA 0.034 nan 4.420 nan 0.000 0.267 205 P C -0.530 176.269 177.300 -0.836 0.000 1.200 205 P CA 0.079 62.621 63.100 -0.929 0.000 0.772 205 P CB 0.178 31.524 31.700 -0.590 0.000 0.855 206 F N 2.132 121.831 119.950 -0.418 0.000 2.541 206 F HA 0.547 5.073 4.527 -0.001 0.000 0.351 206 F C 1.437 177.166 175.800 -0.118 0.000 1.209 206 F CA -0.579 57.122 58.000 -0.498 0.000 1.277 206 F CB -1.106 37.735 39.000 -0.265 0.000 1.632 206 F HN 0.513 nan 8.300 nan 0.000 0.619 207 G N 1.200 109.734 108.800 -0.444 0.000 2.619 207 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.686 207 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.686 207 G C -1.535 172.969 174.900 -0.661 0.000 1.256 207 G CA -1.173 43.754 45.100 -0.287 0.000 0.826 207 G HN 0.606 nan 8.290 nan 0.000 0.619 208 H N -0.625 118.110 119.070 -0.558 0.000 2.806 208 H HA 0.751 5.307 4.556 -0.001 0.000 0.367 208 H C -0.388 174.814 175.328 -0.211 0.000 1.136 208 H CA 0.045 55.968 56.048 -0.209 0.000 1.178 208 H CB 2.041 31.850 29.762 0.078 0.000 1.718 208 H HN 0.699 nan 8.280 nan 0.000 0.540 209 S N 2.257 118.086 115.700 0.214 0.000 2.501 209 S HA 0.274 4.744 4.470 -0.001 0.000 0.301 209 S C -1.829 172.789 174.600 0.031 0.000 1.096 209 S CA -1.786 56.552 58.200 0.230 0.000 1.063 209 S CB 1.362 64.751 63.200 0.316 0.000 1.042 209 S HN 0.438 nan 8.310 nan 0.000 0.494 210 P HA 0.027 nan 4.420 nan 0.000 0.237 210 P C 1.091 178.129 177.300 -0.436 0.000 1.178 210 P CA 0.702 63.394 63.100 -0.680 0.000 0.766 210 P CB -0.260 31.191 31.700 -0.414 0.000 0.876 211 T N -0.145 114.292 114.554 -0.194 0.000 2.833 211 T HA -0.099 4.250 4.350 -0.001 0.000 0.269 211 T C 1.820 176.472 174.700 -0.081 0.000 1.054 211 T CA 1.203 63.232 62.100 -0.118 0.000 1.135 211 T CB -0.395 68.444 68.868 -0.049 0.000 0.869 211 T HN -0.010 nan 8.240 nan 0.000 0.466 212 M N 0.975 120.488 119.600 -0.145 0.000 2.059 212 M HA -0.006 4.474 4.480 -0.001 0.000 0.259 212 M C -0.609 175.554 176.300 -0.229 0.000 1.072 212 M CA 1.278 56.490 55.300 -0.147 0.000 1.117 212 M CB -2.548 29.992 32.600 -0.100 0.000 1.320 212 M HN 0.134 nan 8.290 nan 0.000 0.408 213 P HA -0.197 nan 4.420 nan 0.000 0.218 213 P C 1.679 178.855 177.300 -0.205 0.000 1.149 213 P CA 1.417 64.326 63.100 -0.319 0.000 0.817 213 P CB -0.431 30.985 31.700 -0.473 0.000 0.785 214 Y N 1.139 121.251 120.300 -0.313 0.000 2.097 214 Y HA -0.205 4.345 4.550 -0.001 0.000 0.282 214 Y C 2.408 178.223 175.900 -0.142 0.000 1.152 214 Y CA 1.702 59.682 58.100 -0.201 0.000 1.136 214 Y CB -0.985 37.373 38.460 -0.169 0.000 0.975 214 Y HN -0.239 nan 8.280 nan 0.000 0.498 215 I N -0.404 120.177 120.570 0.017 0.000 2.252 215 I HA -0.305 3.864 4.170 -0.001 0.000 0.245 215 I C 2.282 178.319 176.117 -0.133 0.000 1.102 215 I CA 1.154 62.427 61.300 -0.045 0.000 1.385 215 I CB -0.405 37.635 38.000 0.067 0.000 1.064 215 I HN 0.268 nan 8.210 nan 0.000 0.414 216 L N 0.079 121.175 121.223 -0.211 0.000 2.046 216 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 216 L C 2.686 179.523 176.870 -0.055 0.000 1.077 216 L CA 1.199 55.838 54.840 -0.335 0.000 0.747 216 L CB -0.720 40.950 42.059 -0.647 0.000 0.896 216 L HN 0.342 nan 8.230 nan 0.000 0.432 217 Q N 1.115 120.856 119.800 -0.098 0.000 2.226 217 Q HA -0.193 4.147 4.340 -0.001 0.000 0.204 217 Q C 1.647 177.603 176.000 -0.074 0.000 0.975 217 Q CA 1.489 57.259 55.803 -0.055 0.000 0.866 217 Q CB 0.120 28.799 28.738 -0.099 0.000 0.915 217 Q HN 0.464 nan 8.270 nan 0.000 0.440 218 K N -0.525 119.789 120.400 -0.144 0.000 2.458 218 K HA 0.120 4.439 4.320 -0.001 0.000 0.194 218 K C 0.617 177.175 176.600 -0.069 0.000 1.024 218 K CA 0.088 56.285 56.287 -0.150 0.000 1.108 218 K CB 0.547 32.882 32.500 -0.275 0.000 0.846 218 K HN -0.077 nan 8.250 nan 0.000 0.518 219 S N -0.226 115.488 115.700 0.023 0.000 2.741 219 S HA 0.202 4.672 4.470 -0.001 0.000 0.247 219 S C 0.764 175.466 174.600 0.171 0.000 1.050 219 S CA 0.094 58.357 58.200 0.105 0.000 1.025 219 S CB 1.294 64.597 63.200 0.171 0.000 0.897 219 S HN 0.520 nan 8.310 nan 0.000 0.508 220 G N 1.223 110.075 108.800 0.087 0.000 2.176 220 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.253 220 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.253 220 G C -0.024 174.857 174.900 -0.031 0.000 0.979 220 G CA -0.370 44.727 45.100 -0.004 0.000 0.641 220 G HN 0.440 nan 8.290 nan 0.000 0.530 221 F N 0.331 120.239 119.950 -0.070 0.000 2.450 221 F HA 0.588 5.115 4.527 -0.001 0.000 0.339 221 F C 1.554 177.294 175.800 -0.101 0.000 1.146 221 F CA -0.046 57.907 58.000 -0.077 0.000 1.267 221 F CB 0.952 39.910 39.000 -0.069 0.000 1.178 221 F HN -0.193 nan 8.300 nan 0.000 0.585 222 K N 0.874 121.295 120.400 0.035 0.000 2.464 222 K HA 0.252 4.572 4.320 -0.001 0.000 0.206 222 K C -0.597 175.938 176.600 -0.107 0.000 1.186 222 K CA 0.054 56.300 56.287 -0.068 0.000 0.990 222 K CB 0.192 32.602 32.500 -0.151 0.000 1.003 222 K HN 0.612 nan 8.250 nan 0.000 0.562 223 N N 0.275 118.894 118.700 -0.135 0.000 2.484 223 N HA 0.467 5.206 4.740 -0.001 0.000 0.269 223 N C -1.169 174.185 175.510 -0.259 0.000 1.237 223 N CA -0.662 52.141 53.050 -0.412 0.000 0.838 223 N CB 2.239 39.894 38.487 -1.387 0.000 1.593 223 N HN -0.100 nan 8.380 nan 0.000 0.485 224 M N -0.227 119.230 119.600 -0.239 0.000 2.569 224 M HA 0.622 5.101 4.480 -0.001 0.000 0.279 224 M C -2.076 174.296 176.300 0.119 0.000 1.253 224 M CA -0.941 54.355 55.300 -0.006 0.000 0.867 224 M CB 2.453 35.037 32.600 -0.027 0.000 1.727 224 M HN 0.502 nan 8.290 nan 0.000 0.467 225 L N 3.700 125.011 121.223 0.146 0.000 2.386 225 L HA 0.881 5.221 4.340 -0.001 0.000 0.271 225 L C -1.462 175.291 176.870 -0.196 0.000 0.993 225 L CA -0.757 54.124 54.840 0.069 0.000 0.819 225 L CB 2.003 44.156 42.059 0.157 0.000 1.294 225 L HN 0.946 nan 8.230 nan 0.000 0.414 226 I N 0.974 121.337 120.570 -0.345 0.000 3.042 226 I HA 0.606 4.776 4.170 -0.001 0.000 0.310 226 I C -0.750 175.062 176.117 -0.509 0.000 1.117 226 I CA -0.566 60.338 61.300 -0.659 0.000 1.003 226 I CB 2.276 39.584 38.000 -1.153 0.000 1.228 226 I HN 0.736 nan 8.210 nan 0.000 0.443 227 Q N 2.137 121.702 119.800 -0.391 0.000 2.506 227 Q HA 0.335 4.674 4.340 -0.001 0.000 0.239 227 Q C -0.002 175.898 176.000 -0.167 0.000 0.782 227 Q CA 0.420 56.078 55.803 -0.242 0.000 0.972 227 Q CB 0.647 29.233 28.738 -0.254 0.000 1.304 227 Q HN 0.666 nan 8.270 nan 0.000 0.534 228 R N 2.030 122.446 120.500 -0.141 0.000 2.608 228 R HA 0.342 4.682 4.340 -0.001 0.000 0.277 228 R C -0.703 175.346 176.300 -0.419 0.000 1.341 228 R CA 0.520 56.281 56.100 -0.565 0.000 1.199 228 R CB 0.296 29.881 30.300 -1.192 0.000 1.156 228 R HN 0.368 nan 8.270 nan 0.000 0.558 229 T N -2.462 112.082 114.554 -0.016 0.000 2.908 229 T HA 0.138 4.487 4.350 -0.001 0.000 0.290 229 T C 0.018 174.985 174.700 0.445 0.000 1.034 229 T CA -0.888 61.327 62.100 0.193 0.000 1.010 229 T CB 1.781 70.599 68.868 -0.084 0.000 1.068 229 T HN 0.413 nan 8.240 nan 0.000 0.481 230 H N 2.060 121.353 119.070 0.370 0.000 3.140 230 H HA -0.057 4.498 4.556 -0.001 0.000 0.316 230 H C 1.076 176.455 175.328 0.085 0.000 0.986 230 H CA 0.511 56.661 56.048 0.170 0.000 1.397 230 H CB 0.325 30.212 29.762 0.210 0.000 1.377 230 H HN 0.932 nan 8.280 nan 0.000 0.585 231 Y N 2.388 122.794 120.300 0.177 0.000 2.315 231 Y HA -0.185 4.365 4.550 -0.001 0.000 0.288 231 Y C 2.174 178.241 175.900 0.279 0.000 1.154 231 Y CA 1.031 59.263 58.100 0.220 0.000 1.229 231 Y CB -0.671 37.856 38.460 0.112 0.000 0.980 231 Y HN 0.292 nan 8.280 nan 0.000 0.540 232 S N 0.230 115.972 115.700 0.070 0.000 2.406 232 S HA -0.103 4.366 4.470 -0.001 0.000 0.228 232 S C 2.079 176.598 174.600 -0.134 0.000 1.020 232 S CA 1.106 59.242 58.200 -0.108 0.000 0.965 232 S CB -0.509 62.401 63.200 -0.484 0.000 0.798 232 S HN 0.372 nan 8.310 nan 0.000 0.488 233 V N 1.940 121.833 119.914 -0.035 0.000 2.358 233 V HA -0.158 3.961 4.120 -0.001 0.000 0.246 233 V C 2.219 178.350 176.094 0.063 0.000 1.047 233 V CA 1.566 63.878 62.300 0.020 0.000 1.035 233 V CB -0.500 31.441 31.823 0.198 0.000 0.658 233 V HN 0.400 nan 8.190 nan 0.000 0.452 234 K N 0.170 120.650 120.400 0.132 0.000 2.063 234 K HA -0.264 4.056 4.320 -0.001 0.000 0.208 234 K C 2.267 178.998 176.600 0.219 0.000 1.048 234 K CA 1.919 58.301 56.287 0.159 0.000 0.928 234 K CB -0.249 32.404 32.500 0.254 0.000 0.713 234 K HN 0.359 nan 8.250 nan 0.000 0.442 235 K N 1.160 121.688 120.400 0.214 0.000 2.026 235 K HA -0.234 4.086 4.320 -0.001 0.000 0.208 235 K C 2.135 178.828 176.600 0.155 0.000 1.048 235 K CA 1.755 58.175 56.287 0.220 0.000 0.929 235 K CB 0.036 32.596 32.500 0.099 0.000 0.713 235 K HN -0.015 nan 8.250 nan 0.000 0.439 236 E N 0.819 121.033 120.200 0.023 0.000 2.051 236 E HA -0.145 4.204 4.350 -0.001 0.000 0.192 236 E C 1.917 178.511 176.600 -0.009 0.000 0.991 236 E CA 1.393 57.767 56.400 -0.043 0.000 0.799 236 E CB -0.139 29.487 29.700 -0.123 0.000 0.748 236 E HN 0.353 nan 8.360 nan 0.000 0.449 237 L N -0.292 120.936 121.223 0.009 0.000 2.156 237 L HA -0.009 4.331 4.340 -0.001 0.000 0.208 237 L C 2.484 179.374 176.870 0.034 0.000 1.095 237 L CA 0.797 55.634 54.840 -0.004 0.000 0.770 237 L CB -0.531 41.510 42.059 -0.030 0.000 0.914 237 L HN 0.206 nan 8.230 nan 0.000 0.439 238 A N -0.141 122.752 122.820 0.122 0.000 1.902 238 A HA -0.253 4.066 4.320 -0.001 0.000 0.217 238 A C 2.211 179.976 177.584 0.302 0.000 1.181 238 A CA 1.501 53.665 52.037 0.212 0.000 0.623 238 A CB -0.467 18.811 19.000 0.464 0.000 0.818 238 A HN 0.449 nan 8.150 nan 0.000 0.443 239 Q N -0.914 119.021 119.800 0.225 0.000 2.181 239 Q HA -0.162 4.177 4.340 -0.001 0.000 0.205 239 Q C 1.290 177.280 176.000 -0.017 0.000 0.980 239 Q CA 1.315 57.096 55.803 -0.036 0.000 0.862 239 Q CB -0.041 28.541 28.738 -0.261 0.000 0.905 239 Q HN 0.606 nan 8.270 nan 0.000 0.429 240 Q N -0.200 119.602 119.800 0.003 0.000 2.247 240 Q HA 0.142 4.481 4.340 -0.001 0.000 0.204 240 Q C -0.429 175.586 176.000 0.025 0.000 0.872 240 Q CA -0.026 55.776 55.803 -0.002 0.000 0.951 240 Q CB 0.633 29.360 28.738 -0.018 0.000 1.099 240 Q HN 0.278 nan 8.270 nan 0.000 0.501 241 R N 0.813 121.334 120.500 0.035 0.000 3.322 241 R HA -0.212 4.128 4.340 -0.001 0.000 0.253 241 R C -0.139 176.192 176.300 0.052 0.000 0.987 241 R CA 0.480 56.592 56.100 0.020 0.000 0.666 241 R CB -1.881 28.454 30.300 0.059 0.000 1.072 241 R HN 0.397 nan 8.270 nan 0.000 0.447 242 Q N 0.040 119.860 119.800 0.033 0.000 2.186 242 Q HA 0.199 4.538 4.340 -0.001 0.000 0.241 242 Q C 1.246 177.324 176.000 0.130 0.000 0.849 242 Q CA -0.237 55.619 55.803 0.089 0.000 1.053 242 Q CB 0.539 29.293 28.738 0.026 0.000 1.146 242 Q HN 0.439 nan 8.270 nan 0.000 0.475 243 L N 0.054 121.288 121.223 0.019 0.000 2.395 243 L HA 0.039 4.378 4.340 -0.001 0.000 0.218 243 L C 0.350 177.215 176.870 -0.007 0.000 1.130 243 L CA 0.961 55.784 54.840 -0.029 0.000 0.826 243 L CB 0.323 42.175 42.059 -0.344 0.000 0.941 243 L HN 0.198 nan 8.230 nan 0.000 0.451 244 E N 0.089 120.324 120.200 0.059 0.000 2.171 244 E HA 0.515 4.864 4.350 -0.001 0.000 0.271 244 E C -1.231 175.283 176.600 -0.143 0.000 0.916 244 E CA -0.534 55.694 56.400 -0.287 0.000 0.774 244 E CB 1.533 31.189 29.700 -0.074 0.000 1.128 244 E HN -0.003 nan 8.360 nan 0.000 0.403 245 F N -0.253 119.436 119.950 -0.435 0.000 2.686 245 F HA 0.469 4.996 4.527 -0.001 0.000 0.311 245 F C -1.524 174.163 175.800 -0.188 0.000 1.128 245 F CA -1.388 56.503 58.000 -0.182 0.000 0.946 245 F CB 0.765 39.690 39.000 -0.126 0.000 1.336 245 F HN 0.156 nan 8.300 nan 0.000 0.457 246 L N 2.584 123.968 121.223 0.268 0.000 2.282 246 L HA 0.175 4.515 4.340 -0.001 0.000 0.287 246 L C -1.109 175.992 176.870 0.384 0.000 1.075 246 L CA -0.221 54.773 54.840 0.255 0.000 0.839 246 L CB 0.488 42.698 42.059 0.253 0.000 1.219 246 L HN 0.594 nan 8.230 nan 0.000 0.434 247 W N 6.858 128.270 121.300 0.186 0.000 2.416 247 W HA 0.341 5.001 4.660 -0.001 0.000 0.318 247 W C 0.252 176.800 176.519 0.048 0.000 1.150 247 W CA -1.317 56.155 57.345 0.210 0.000 1.392 247 W CB 0.407 30.042 29.460 0.292 0.000 1.311 247 W HN 0.505 nan 8.180 nan 0.000 0.436 248 R N 3.729 124.408 120.500 0.297 0.000 2.782 248 R HA 0.552 4.892 4.340 -0.001 0.000 0.258 248 R C -0.103 176.107 176.300 -0.151 0.000 1.055 248 R CA -0.916 55.186 56.100 0.002 0.000 1.065 248 R CB 1.022 31.305 30.300 -0.028 0.000 1.172 248 R HN 0.239 nan 8.270 nan 0.000 0.510 249 Q N 1.252 120.807 119.800 -0.408 0.000 2.394 249 Q HA 0.071 4.410 4.340 -0.001 0.000 0.248 249 Q C 1.477 177.068 176.000 -0.681 0.000 0.992 249 Q CA 0.060 55.413 55.803 -0.749 0.000 0.888 249 Q CB 0.882 28.713 28.738 -1.512 0.000 1.257 249 Q HN 0.848 nan 8.270 nan 0.000 0.462 250 I N -2.056 118.210 120.570 -0.507 0.000 2.423 250 I HA -0.167 4.002 4.170 -0.001 0.000 0.254 250 I C 1.266 177.305 176.117 -0.131 0.000 1.151 250 I CA 1.384 62.554 61.300 -0.217 0.000 1.421 250 I CB -0.354 37.624 38.000 -0.038 0.000 1.079 250 I HN 0.675 nan 8.210 nan 0.000 0.431 251 W N 1.283 122.642 121.300 0.098 0.000 3.220 251 W HA 0.378 5.038 4.660 -0.001 0.000 0.328 251 W C 0.195 176.791 176.519 0.127 0.000 1.205 251 W CA -0.745 56.719 57.345 0.199 0.000 1.773 251 W CB -0.715 28.953 29.460 0.347 0.000 1.086 251 W HN -0.065 nan 8.180 nan 0.000 0.622 252 D N 2.031 122.173 120.400 -0.430 0.000 2.422 252 D HA -0.029 4.610 4.640 -0.001 0.000 0.227 252 D C 1.084 177.360 176.300 -0.039 0.000 1.190 252 D CA 0.210 54.099 54.000 -0.186 0.000 0.905 252 D CB 0.028 40.621 40.800 -0.345 0.000 1.034 252 D HN 0.255 nan 8.370 nan 0.000 0.507 253 N N 3.666 122.402 118.700 0.061 0.000 2.216 253 N HA -0.152 4.588 4.740 -0.001 0.000 0.183 253 N C 1.402 176.932 175.510 0.034 0.000 1.017 253 N CA 0.588 53.667 53.050 0.049 0.000 0.861 253 N CB 0.226 38.763 38.487 0.084 0.000 0.986 253 N HN 0.301 nan 8.380 nan 0.000 0.428 254 K N -0.397 120.030 120.400 0.044 0.000 2.137 254 K HA -0.009 4.311 4.320 -0.001 0.000 0.202 254 K C 0.807 177.423 176.600 0.027 0.000 1.052 254 K CA 1.095 57.404 56.287 0.037 0.000 0.961 254 K CB 0.086 32.613 32.500 0.046 0.000 0.741 254 K HN 0.319 nan 8.250 nan 0.000 0.452 255 G N 1.660 110.469 108.800 0.015 0.000 2.163 255 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.213 255 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.213 255 G C 0.094 175.001 174.900 0.012 0.000 0.991 255 G CA 0.519 45.626 45.100 0.011 0.000 0.653 255 G HN 0.552 nan 8.290 nan 0.000 0.518 256 D N 0.505 120.914 120.400 0.015 0.000 2.310 256 D HA 0.003 4.642 4.640 -0.001 0.000 0.212 256 D C 2.233 178.529 176.300 -0.008 0.000 0.965 256 D CA 1.675 55.681 54.000 0.011 0.000 0.879 256 D CB -0.555 40.258 40.800 0.021 0.000 0.921 256 D HN 0.634 nan 8.370 nan 0.000 0.510 257 T N -2.813 111.728 114.554 -0.021 0.000 3.129 257 T HA 0.362 4.711 4.350 -0.001 0.000 0.251 257 T C 1.030 175.699 174.700 -0.051 0.000 1.117 257 T CA -0.166 61.904 62.100 -0.050 0.000 1.034 257 T CB -0.332 68.496 68.868 -0.068 0.000 0.968 257 T HN 0.241 nan 8.240 nan 0.000 0.526 258 A N 1.455 124.268 122.820 -0.010 0.000 2.540 258 A HA 0.543 4.862 4.320 -0.001 0.000 0.239 258 A C -0.260 177.349 177.584 0.041 0.000 1.061 258 A CA -0.302 51.758 52.037 0.039 0.000 0.758 258 A CB -0.143 18.905 19.000 0.080 0.000 0.991 258 A HN 0.553 nan 8.150 nan 0.000 0.502 259 L N 2.815 124.082 121.223 0.073 0.000 2.409 259 L HA 0.576 4.915 4.340 -0.001 0.000 0.272 259 L C -0.647 176.284 176.870 0.102 0.000 0.980 259 L CA -0.569 54.308 54.840 0.062 0.000 0.826 259 L CB 1.467 43.526 42.059 0.000 0.000 1.268 259 L HN 0.662 nan 8.230 nan 0.000 0.407 260 F N 3.796 123.706 119.950 -0.067 0.000 2.578 260 F HA 0.419 4.945 4.527 -0.001 0.000 0.376 260 F C 0.014 175.693 175.800 -0.202 0.000 1.085 260 F CA 0.749 58.676 58.000 -0.123 0.000 1.260 260 F CB 0.489 39.431 39.000 -0.097 0.000 1.095 260 F HN 0.563 nan 8.300 nan 0.000 0.573 261 T N 5.286 119.264 114.554 -0.961 0.000 2.886 261 T HA 0.203 4.552 4.350 -0.001 0.000 0.292 261 T C -1.650 172.412 174.700 -1.064 0.000 1.012 261 T CA -0.482 61.129 62.100 -0.815 0.000 0.982 261 T CB 0.912 69.286 68.868 -0.823 0.000 1.018 261 T HN 0.616 nan 8.240 nan 0.000 0.451 262 H N 2.821 121.579 119.070 -0.520 0.000 2.541 262 H HA 0.634 5.189 4.556 -0.001 0.000 0.316 262 H C -0.426 174.708 175.328 -0.325 0.000 1.043 262 H CA -0.735 55.122 56.048 -0.318 0.000 1.232 262 H CB 0.746 30.543 29.762 0.059 0.000 1.406 262 H HN 0.482 nan 8.280 nan 0.000 0.469 263 M N 6.877 126.128 119.600 -0.581 0.000 2.157 263 M HA 0.305 4.785 4.480 -0.001 0.000 0.354 263 M C -0.925 175.110 176.300 -0.442 0.000 1.170 263 M CA -0.631 54.407 55.300 -0.437 0.000 1.060 263 M CB 0.773 33.178 32.600 -0.325 0.000 1.615 263 M HN 0.663 nan 8.290 nan 0.000 0.460 264 M N 6.468 125.907 119.600 -0.269 0.000 2.245 264 M HA 0.189 4.668 4.480 -0.001 0.000 0.330 264 M C -1.600 174.564 176.300 -0.226 0.000 1.098 264 M CA -1.187 54.006 55.300 -0.178 0.000 1.172 264 M CB 0.361 32.881 32.600 -0.133 0.000 1.467 264 M HN 0.483 nan 8.290 nan 0.000 0.454 265 P HA 0.109 nan 4.420 nan 0.000 0.239 265 P C -0.319 176.809 177.300 -0.286 0.000 1.188 265 P CA 0.891 63.691 63.100 -0.500 0.000 0.794 265 P CB 0.344 31.369 31.700 -1.125 0.000 0.937 266 F N -1.815 118.141 119.950 0.010 0.000 2.535 266 F HA 0.294 4.820 4.527 -0.001 0.000 0.367 266 F C 2.029 177.923 175.800 0.157 0.000 1.096 266 F CA -1.476 56.570 58.000 0.077 0.000 1.088 266 F CB -0.902 38.075 39.000 -0.037 0.000 1.387 266 F HN -0.306 nan 8.300 nan 0.000 0.494 267 Y N 0.031 120.491 120.300 0.267 0.000 2.373 267 Y HA 0.095 4.645 4.550 -0.001 0.000 0.293 267 Y C 0.914 176.744 175.900 -0.116 0.000 1.129 267 Y CA 1.351 59.468 58.100 0.029 0.000 1.226 267 Y CB 0.066 38.450 38.460 -0.127 0.000 1.000 267 Y HN 0.353 nan 8.280 nan 0.000 0.549 268 S N -1.751 113.801 115.700 -0.247 0.000 2.618 268 S HA 0.253 4.722 4.470 -0.001 0.000 0.277 268 S C -0.335 174.186 174.600 -0.130 0.000 1.138 268 S CA -0.407 57.543 58.200 -0.416 0.000 0.844 268 S CB 0.338 63.218 63.200 -0.534 0.000 1.127 268 S HN 0.290 nan 8.310 nan 0.000 0.474 269 Y N 0.882 121.134 120.300 -0.080 0.000 2.490 269 Y HA 0.297 4.846 4.550 -0.001 0.000 0.281 269 Y C 0.445 176.427 175.900 0.136 0.000 1.174 269 Y CA -0.568 57.513 58.100 -0.032 0.000 1.295 269 Y CB -1.024 37.322 38.460 -0.190 0.000 1.062 269 Y HN 0.541 nan 8.280 nan 0.000 0.522 270 D N 0.628 121.030 120.400 0.003 0.000 2.371 270 D HA -0.025 4.615 4.640 -0.001 0.000 0.242 270 D C 1.226 177.656 176.300 0.216 0.000 1.218 270 D CA -0.413 53.681 54.000 0.156 0.000 0.945 270 D CB 0.824 41.672 40.800 0.081 0.000 1.137 270 D HN 0.259 nan 8.370 nan 0.000 0.464 271 I N -0.163 120.515 120.570 0.179 0.000 2.286 271 I HA -0.154 4.016 4.170 -0.001 0.000 0.248 271 I C -0.756 175.403 176.117 0.070 0.000 1.115 271 I CA 0.841 62.231 61.300 0.150 0.000 1.392 271 I CB -1.142 36.935 38.000 0.128 0.000 1.065 271 I HN 0.347 nan 8.210 nan 0.000 0.418 272 P HA -0.147 nan 4.420 nan 0.000 0.222 272 P C 0.855 177.844 177.300 -0.519 0.000 1.147 272 P CA 1.482 64.404 63.100 -0.296 0.000 0.790 272 P CB -0.061 31.442 31.700 -0.328 0.000 0.780 273 H N -2.421 116.641 119.070 -0.014 0.000 2.486 273 H HA 0.269 4.825 4.556 -0.001 0.000 0.284 273 H C 0.770 176.190 175.328 0.153 0.000 1.103 273 H CA 0.727 56.778 56.048 0.005 0.000 1.089 273 H CB 0.124 29.956 29.762 0.115 0.000 1.603 273 H HN 0.211 nan 8.280 nan 0.000 0.557 274 T N -3.249 111.419 114.554 0.190 0.000 2.986 274 T HA -0.030 4.319 4.350 -0.001 0.000 0.264 274 T C 1.877 176.698 174.700 0.202 0.000 0.964 274 T CA 0.245 62.484 62.100 0.232 0.000 0.895 274 T CB -0.816 68.181 68.868 0.214 0.000 1.163 274 T HN 0.430 nan 8.240 nan 0.000 0.517 275 c N 1.445 120.133 118.600 0.147 0.000 2.563 275 c HA 0.722 5.292 4.570 -0.001 0.000 0.268 275 c C 1.302 175.505 174.090 0.188 0.000 1.365 275 c CA 0.340 56.794 56.329 0.207 0.000 1.754 275 c CB -1.148 41.442 42.510 0.132 0.000 1.932 275 c HN 0.864 nan 8.230 nan 0.000 0.536 276 G N -0.185 108.653 108.800 0.062 0.000 2.315 276 G HA2 0.382 4.341 3.960 -0.001 0.000 0.294 276 G HA3 0.382 4.341 3.960 -0.001 0.000 0.294 276 G C -2.703 171.824 174.900 -0.623 0.000 1.300 276 G CA 0.235 45.310 45.100 -0.042 0.000 0.843 276 G HN -0.111 nan 8.290 nan 0.000 0.527 277 P HA 0.088 nan 4.420 nan 0.000 0.229 277 P C -0.161 176.708 177.300 -0.718 0.000 1.160 277 P CA 1.045 63.449 63.100 -1.159 0.000 0.777 277 P CB 0.400 31.726 31.700 -0.622 0.000 0.814 278 D N 0.947 121.042 120.400 -0.508 0.000 2.460 278 D HA 0.144 4.784 4.640 -0.001 0.000 0.232 278 D C -1.464 174.489 176.300 -0.578 0.000 1.079 278 D CA -2.638 51.107 54.000 -0.425 0.000 0.864 278 D CB 1.360 41.999 40.800 -0.267 0.000 1.048 278 D HN -0.007 nan 8.370 nan 0.000 0.523 279 P HA -0.152 nan 4.420 nan 0.000 0.222 279 P C 1.223 177.695 177.300 -1.379 0.000 1.147 279 P CA 0.708 63.039 63.100 -1.280 0.000 0.790 279 P CB 0.500 31.138 31.700 -1.771 0.000 0.780 280 K N 0.303 120.045 120.400 -1.096 0.000 2.147 280 K HA -0.062 4.258 4.320 -0.001 0.000 0.205 280 K C 1.781 178.212 176.600 -0.282 0.000 1.049 280 K CA 1.071 57.037 56.287 -0.536 0.000 0.936 280 K CB -0.205 32.165 32.500 -0.216 0.000 0.722 280 K HN -0.055 nan 8.250 nan 0.000 0.446 281 V N 0.326 120.075 119.914 -0.275 0.000 2.379 281 V HA -0.216 3.903 4.120 -0.001 0.000 0.243 281 V C 2.375 178.449 176.094 -0.035 0.000 1.035 281 V CA 1.276 63.508 62.300 -0.114 0.000 1.035 281 V CB -0.246 31.523 31.823 -0.090 0.000 0.673 281 V HN 0.470 nan 8.190 nan 0.000 0.457 282 c N -0.708 117.789 118.600 -0.171 0.000 2.422 282 c HA -0.188 4.381 4.570 -0.001 0.000 0.279 282 c C 2.975 177.041 174.090 -0.041 0.000 1.305 282 c CA 0.778 57.071 56.329 -0.060 0.000 1.757 282 c CB -1.463 40.928 42.510 -0.197 0.000 1.962 282 c HN 0.755 nan 8.230 nan 0.000 0.499 283 c N 0.859 119.346 118.600 -0.188 0.000 2.419 283 c HA -0.141 4.428 4.570 -0.001 0.000 0.281 283 c C 2.575 176.565 174.090 -0.168 0.000 1.336 283 c CA 1.208 57.478 56.329 -0.098 0.000 1.770 283 c CB -1.480 41.059 42.510 0.048 0.000 1.929 283 c HN 0.639 nan 8.230 nan 0.000 0.509 284 Q N -1.365 118.282 119.800 -0.255 0.000 2.515 284 Q HA 0.004 4.344 4.340 -0.001 0.000 0.212 284 Q C 0.599 175.926 176.000 -1.121 0.000 0.970 284 Q CA 0.924 56.387 55.803 -0.567 0.000 0.941 284 Q CB -0.001 28.389 28.738 -0.580 0.000 0.998 284 Q HN 0.749 nan 8.270 nan 0.000 0.518 285 F N -0.344 119.310 119.950 -0.493 0.000 2.698 285 F HA 0.167 4.694 4.527 -0.001 0.000 0.304 285 F C 0.227 175.737 175.800 -0.484 0.000 1.108 285 F CA -0.587 57.015 58.000 -0.663 0.000 1.263 285 F CB 0.798 39.664 39.000 -0.222 0.000 1.013 285 F HN -0.143 nan 8.300 nan 0.000 0.532 286 D N 0.142 120.314 120.400 -0.379 0.000 2.485 286 D HA 0.133 4.772 4.640 -0.001 0.000 0.221 286 D C 0.542 176.666 176.300 -0.294 0.000 1.112 286 D CA -0.361 53.541 54.000 -0.163 0.000 0.911 286 D CB 0.123 40.881 40.800 -0.070 0.000 1.019 286 D HN 0.090 nan 8.370 nan 0.000 0.516 287 F N 1.766 121.719 119.950 0.005 0.000 2.771 287 F HA 0.070 4.596 4.527 -0.001 0.000 0.299 287 F C 2.345 178.088 175.800 -0.095 0.000 1.177 287 F CA 0.347 58.322 58.000 -0.042 0.000 1.450 287 F CB 0.038 39.033 39.000 -0.009 0.000 1.114 287 F HN 0.262 nan 8.300 nan 0.000 0.587 288 K N 0.722 121.051 120.400 -0.118 0.000 2.459 288 K HA 0.046 4.365 4.320 -0.001 0.000 0.193 288 K C 1.102 177.651 176.600 -0.084 0.000 1.030 288 K CA 0.239 56.320 56.287 -0.344 0.000 1.026 288 K CB 0.118 32.278 32.500 -0.567 0.000 0.809 288 K HN 0.198 nan 8.250 nan 0.000 0.504 289 R N 0.153 120.636 120.500 -0.030 0.000 2.568 289 R HA 0.184 4.523 4.340 -0.001 0.000 0.288 289 R C 0.854 177.180 176.300 0.043 0.000 1.077 289 R CA -0.137 55.972 56.100 0.015 0.000 1.102 289 R CB 0.181 30.469 30.300 -0.019 0.000 1.278 289 R HN 0.185 nan 8.270 nan 0.000 0.560 290 M N -1.064 118.598 119.600 0.103 0.000 2.495 290 M HA 0.177 4.656 4.480 -0.001 0.000 0.237 290 M C 1.147 177.488 176.300 0.068 0.000 1.131 290 M CA 0.662 56.006 55.300 0.073 0.000 1.032 290 M CB 0.935 33.586 32.600 0.085 0.000 1.513 290 M HN 0.486 nan 8.290 nan 0.000 0.488 291 G N 0.007 108.866 108.800 0.098 0.000 3.180 291 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.197 291 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.197 291 G C 1.005 175.919 174.900 0.024 0.000 1.149 291 G CA 0.241 45.373 45.100 0.053 0.000 0.847 291 G HN 0.410 nan 8.290 nan 0.000 0.469 292 S N 0.284 115.964 115.700 -0.033 0.000 2.474 292 S HA 0.183 4.652 4.470 -0.001 0.000 0.235 292 S C 1.755 176.187 174.600 -0.279 0.000 0.997 292 S CA 1.601 59.688 58.200 -0.188 0.000 0.949 292 S CB -0.424 62.590 63.200 -0.309 0.000 0.766 292 S HN 0.382 nan 8.310 nan 0.000 0.517 293 F N 1.797 121.746 119.950 -0.001 0.000 2.727 293 F HA 0.431 4.957 4.527 -0.001 0.000 0.302 293 F C 1.885 177.687 175.800 0.004 0.000 1.097 293 F CA -0.047 57.953 58.000 -0.001 0.000 1.330 293 F CB -0.127 38.868 39.000 -0.007 0.000 1.084 293 F HN 0.363 nan 8.300 nan 0.000 0.578 294 G N 1.131 110.008 108.800 0.128 0.000 2.147 294 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.244 294 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.244 294 G C -0.105 174.848 174.900 0.088 0.000 1.005 294 G CA 0.059 45.209 45.100 0.085 0.000 0.713 294 G HN 0.304 nan 8.290 nan 0.000 0.515 295 L N 0.035 121.323 121.223 0.109 0.000 2.323 295 L HA 0.879 5.218 4.340 -0.001 0.000 0.265 295 L C 0.520 177.423 176.870 0.054 0.000 1.012 295 L CA -0.395 54.490 54.840 0.076 0.000 0.820 295 L CB 2.324 44.426 42.059 0.073 0.000 1.334 295 L HN 0.480 nan 8.230 nan 0.000 0.427 296 S N -0.819 114.900 115.700 0.031 0.000 2.656 296 S HA 0.519 4.989 4.470 -0.001 0.000 0.273 296 S C -1.270 173.340 174.600 0.017 0.000 1.168 296 S CA -0.805 57.404 58.200 0.016 0.000 0.817 296 S CB 1.582 64.781 63.200 -0.001 0.000 1.146 296 S HN 0.528 nan 8.310 nan 0.000 0.475 297 c N 2.970 121.584 118.600 0.024 0.000 2.285 297 c HA 0.560 5.130 4.570 -0.001 0.000 0.335 297 c C -1.116 172.951 174.090 -0.039 0.000 1.267 297 c CA -1.170 55.211 56.329 0.086 0.000 1.762 297 c CB 0.827 43.428 42.510 0.152 0.000 2.365 297 c HN 0.760 nan 8.230 nan 0.000 0.527 298 P HA -0.075 nan 4.420 nan 0.000 0.226 298 P C 1.093 178.060 177.300 -0.556 0.000 1.153 298 P CA 1.242 64.021 63.100 -0.534 0.000 0.777 298 P CB 0.066 31.277 31.700 -0.815 0.000 0.794 299 W N 0.394 121.672 121.300 -0.037 0.000 3.256 299 W HA 0.182 4.842 4.660 -0.001 0.000 0.269 299 W C 0.670 177.163 176.519 -0.044 0.000 1.310 299 W CA 0.109 57.427 57.345 -0.044 0.000 1.673 299 W CB -0.460 28.965 29.460 -0.059 0.000 1.115 299 W HN 0.131 nan 8.180 nan 0.000 0.686 300 K N -1.037 119.406 120.400 0.070 0.000 3.446 300 K HA -0.179 4.141 4.320 -0.001 0.000 0.312 300 K C -0.357 176.263 176.600 0.035 0.000 1.329 300 K CA 0.520 56.825 56.287 0.029 0.000 0.935 300 K CB -1.920 30.585 32.500 0.008 0.000 1.281 300 K HN -0.119 nan 8.250 nan 0.000 0.457 301 V N 1.932 121.879 119.914 0.056 0.000 2.378 301 V HA 0.327 4.447 4.120 -0.001 0.000 0.288 301 V C -1.787 174.295 176.094 -0.021 0.000 1.016 301 V CA -1.515 60.789 62.300 0.007 0.000 0.840 301 V CB 1.433 33.254 31.823 -0.004 0.000 0.994 301 V HN -0.025 nan 8.190 nan 0.000 0.431 302 P HA 0.435 nan 4.420 nan 0.000 0.278 302 P C -2.869 174.342 177.300 -0.148 0.000 1.258 302 P CA -2.095 60.963 63.100 -0.070 0.000 0.811 302 P CB 0.656 32.330 31.700 -0.044 0.000 1.063 303 P HA 0.299 nan 4.420 nan 0.000 0.272 303 P C -0.292 176.902 177.300 -0.177 0.000 1.230 303 P CA 0.034 62.923 63.100 -0.351 0.000 0.788 303 P CB 0.611 32.046 31.700 -0.441 0.000 0.949 304 R N 0.197 120.601 120.500 -0.160 0.000 2.621 304 R HA 0.402 4.741 4.340 -0.001 0.000 0.292 304 R C -0.418 175.934 176.300 0.087 0.000 0.969 304 R CA -0.644 55.436 56.100 -0.033 0.000 0.887 304 R CB 1.434 31.691 30.300 -0.072 0.000 1.180 304 R HN 0.368 nan 8.270 nan 0.000 0.450 305 T N 4.044 118.642 114.554 0.073 0.000 2.908 305 T HA 0.042 4.391 4.350 -0.001 0.000 0.301 305 T C 0.754 175.437 174.700 -0.027 0.000 1.019 305 T CA 0.136 62.254 62.100 0.029 0.000 1.152 305 T CB 0.127 68.994 68.868 -0.002 0.000 0.966 305 T HN 0.194 nan 8.240 nan 0.000 0.540 306 I N 3.934 124.441 120.570 -0.107 0.000 2.529 306 I HA 0.266 4.435 4.170 -0.001 0.000 0.284 306 I C 0.986 177.047 176.117 -0.092 0.000 1.082 306 I CA 0.074 61.311 61.300 -0.105 0.000 1.406 306 I CB 0.353 38.247 38.000 -0.175 0.000 1.405 306 I HN 0.783 nan 8.210 nan 0.000 0.548 307 S N 3.630 119.287 115.700 -0.070 0.000 2.697 307 S HA 0.434 4.904 4.470 -0.001 0.000 0.289 307 S C 0.260 174.826 174.600 -0.056 0.000 1.149 307 S CA -0.758 57.409 58.200 -0.054 0.000 0.850 307 S CB 2.103 65.279 63.200 -0.040 0.000 1.151 307 S HN 0.491 nan 8.310 nan 0.000 0.491 308 D N 0.659 121.036 120.400 -0.038 0.000 2.218 308 D HA -0.050 4.589 4.640 -0.001 0.000 0.204 308 D C 1.699 177.974 176.300 -0.042 0.000 0.976 308 D CA 1.310 55.290 54.000 -0.033 0.000 0.853 308 D CB -0.151 40.645 40.800 -0.007 0.000 0.939 308 D HN 0.620 nan 8.370 nan 0.000 0.481 309 Q N -0.114 119.665 119.800 -0.036 0.000 2.172 309 Q HA -0.083 4.257 4.340 -0.001 0.000 0.200 309 Q C 1.212 177.186 176.000 -0.044 0.000 0.964 309 Q CA 1.066 56.850 55.803 -0.032 0.000 0.855 309 Q CB 0.131 28.854 28.738 -0.024 0.000 0.918 309 Q HN 0.317 nan 8.270 nan 0.000 0.444 310 N N -1.353 117.313 118.700 -0.057 0.000 2.184 310 N HA -0.049 4.690 4.740 -0.001 0.000 0.206 310 N C 1.205 176.661 175.510 -0.090 0.000 1.151 310 N CA 0.089 53.105 53.050 -0.058 0.000 0.878 310 N CB -0.074 38.386 38.487 -0.045 0.000 1.014 310 N HN -0.029 nan 8.380 nan 0.000 0.512 311 V N 0.446 120.271 119.914 -0.148 0.000 2.407 311 V HA -0.072 4.048 4.120 -0.001 0.000 0.248 311 V C 2.228 178.093 176.094 -0.381 0.000 1.055 311 V CA 2.003 64.157 62.300 -0.243 0.000 1.049 311 V CB -0.855 30.802 31.823 -0.277 0.000 0.662 311 V HN 0.434 nan 8.190 nan 0.000 0.455 312 A N -0.189 122.387 122.820 -0.407 0.000 1.902 312 A HA -0.028 4.291 4.320 -0.001 0.000 0.217 312 A C 2.417 180.030 177.584 0.049 0.000 1.181 312 A CA 2.091 54.016 52.037 -0.186 0.000 0.623 312 A CB -0.976 18.032 19.000 0.014 0.000 0.818 312 A HN 0.795 nan 8.150 nan 0.000 0.443 313 A N -0.525 122.301 122.820 0.011 0.000 1.898 313 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 313 A C 2.225 179.843 177.584 0.056 0.000 1.181 313 A CA 1.276 53.340 52.037 0.044 0.000 0.620 313 A CB -0.408 18.602 19.000 0.017 0.000 0.819 313 A HN 0.409 nan 8.150 nan 0.000 0.442 314 R N 0.078 120.601 120.500 0.039 0.000 2.092 314 R HA -0.042 4.297 4.340 -0.001 0.000 0.231 314 R C 2.366 178.707 176.300 0.069 0.000 1.119 314 R CA 1.490 57.666 56.100 0.127 0.000 0.970 314 R CB -0.926 29.449 30.300 0.125 0.000 0.864 314 R HN 0.521 nan 8.270 nan 0.000 0.440 315 S N 1.234 116.927 115.700 -0.011 0.000 2.382 315 S HA -0.134 4.335 4.470 -0.001 0.000 0.228 315 S C 1.395 175.890 174.600 -0.175 0.000 1.027 315 S CA 1.447 59.554 58.200 -0.155 0.000 0.991 315 S CB -0.213 63.024 63.200 0.062 0.000 0.823 315 S HN 0.295 nan 8.310 nan 0.000 0.469 316 D N 0.986 121.466 120.400 0.134 0.000 2.178 316 D HA 0.017 4.657 4.640 -0.001 0.000 0.202 316 D C 1.804 178.119 176.300 0.025 0.000 0.974 316 D CA 0.596 54.730 54.000 0.224 0.000 0.841 316 D CB -0.078 40.843 40.800 0.202 0.000 0.953 316 D HN 0.239 nan 8.370 nan 0.000 0.478 317 L N -0.273 120.932 121.223 -0.030 0.000 2.072 317 L HA -0.101 4.238 4.340 -0.001 0.000 0.205 317 L C 2.112 178.802 176.870 -0.301 0.000 1.079 317 L CA 0.454 55.252 54.840 -0.071 0.000 0.752 317 L CB -0.190 41.902 42.059 0.054 0.000 0.906 317 L HN 0.156 nan 8.230 nan 0.000 0.436 318 L N -0.896 119.977 121.223 -0.584 0.000 2.027 318 L HA -0.132 4.207 4.340 -0.001 0.000 0.206 318 L C 2.310 178.482 176.870 -1.164 0.000 1.074 318 L CA 1.588 55.741 54.840 -1.144 0.000 0.745 318 L CB -0.325 40.756 42.059 -1.630 0.000 0.898 318 L HN -0.081 nan 8.230 nan 0.000 0.433 319 V N -0.074 119.286 119.914 -0.923 0.000 2.407 319 V HA -0.292 3.827 4.120 -0.001 0.000 0.248 319 V C 2.278 178.198 176.094 -0.290 0.000 1.055 319 V CA 1.877 63.782 62.300 -0.659 0.000 1.049 319 V CB -0.728 30.719 31.823 -0.627 0.000 0.662 319 V HN 0.595 nan 8.190 nan 0.000 0.455 320 D N -0.799 119.496 120.400 -0.175 0.000 2.117 320 D HA -0.203 4.437 4.640 -0.001 0.000 0.197 320 D C 2.229 178.490 176.300 -0.065 0.000 0.987 320 D CA 1.137 55.139 54.000 0.004 0.000 0.829 320 D CB 0.005 40.867 40.800 0.103 0.000 0.961 320 D HN 0.285 nan 8.370 nan 0.000 0.460 321 Q N -0.501 119.194 119.800 -0.175 0.000 2.084 321 Q HA -0.133 4.207 4.340 -0.001 0.000 0.202 321 Q C 2.122 178.125 176.000 0.005 0.000 0.978 321 Q CA 0.948 56.675 55.803 -0.127 0.000 0.844 321 Q CB -0.574 28.028 28.738 -0.227 0.000 0.898 321 Q HN 0.555 nan 8.270 nan 0.000 0.426 322 W N 1.466 122.651 121.300 -0.192 0.000 2.338 322 W HA -0.105 4.554 4.660 -0.001 0.000 0.304 322 W C 2.068 178.456 176.519 -0.218 0.000 1.212 322 W CA 0.767 57.998 57.345 -0.191 0.000 1.264 322 W CB -0.642 28.677 29.460 -0.235 0.000 1.142 322 W HN 0.214 nan 8.180 nan 0.000 0.512 323 K N 0.112 120.449 120.400 -0.105 0.000 2.155 323 K HA -0.123 4.196 4.320 -0.001 0.000 0.203 323 K C 1.958 178.371 176.600 -0.312 0.000 1.052 323 K CA 1.120 57.184 56.287 -0.372 0.000 0.948 323 K CB -0.173 31.806 32.500 -0.867 0.000 0.728 323 K HN 0.057 nan 8.250 nan 0.000 0.448 324 K N 0.990 121.289 120.400 -0.169 0.000 2.025 324 K HA -0.149 4.170 4.320 -0.001 0.000 0.207 324 K C 2.099 178.752 176.600 0.089 0.000 1.049 324 K CA 1.235 57.557 56.287 0.058 0.000 0.933 324 K CB -0.011 32.547 32.500 0.097 0.000 0.714 324 K HN 0.002 nan 8.250 nan 0.000 0.438 325 K N 0.778 121.239 120.400 0.102 0.000 2.103 325 K HA -0.139 4.181 4.320 -0.001 0.000 0.207 325 K C 2.020 178.731 176.600 0.185 0.000 1.048 325 K CA 1.297 57.674 56.287 0.149 0.000 0.930 325 K CB -0.100 32.509 32.500 0.181 0.000 0.716 325 K HN 0.149 nan 8.250 nan 0.000 0.444 326 A N 1.187 124.100 122.820 0.155 0.000 2.070 326 A HA -0.136 4.184 4.320 -0.001 0.000 0.220 326 A C 1.688 179.432 177.584 0.266 0.000 1.159 326 A CA 1.296 53.464 52.037 0.218 0.000 0.656 326 A CB -0.309 18.782 19.000 0.153 0.000 0.800 326 A HN 0.310 nan 8.150 nan 0.000 0.453 327 E N 0.016 120.349 120.200 0.221 0.000 2.333 327 E HA -0.091 4.258 4.350 -0.001 0.000 0.198 327 E C 1.547 178.268 176.600 0.200 0.000 1.007 327 E CA 0.647 57.189 56.400 0.236 0.000 0.845 327 E CB -0.225 29.642 29.700 0.278 0.000 0.766 327 E HN 0.724 nan 8.360 nan 0.000 0.507 328 L N -0.560 120.737 121.223 0.124 0.000 2.591 328 L HA 0.055 4.394 4.340 -0.001 0.000 0.228 328 L C 0.193 176.846 176.870 -0.363 0.000 1.133 328 L CA 0.226 55.008 54.840 -0.098 0.000 0.880 328 L CB -0.082 41.797 42.059 -0.301 0.000 1.033 328 L HN -0.009 nan 8.230 nan 0.000 0.450 329 Y N -1.572 118.809 120.300 0.135 0.000 2.633 329 Y HA 0.380 4.930 4.550 -0.001 0.000 0.339 329 Y C 1.120 177.132 175.900 0.187 0.000 1.045 329 Y CA -0.985 57.216 58.100 0.168 0.000 1.098 329 Y CB 1.209 39.779 38.460 0.183 0.000 1.296 329 Y HN -0.275 nan 8.280 nan 0.000 0.494 330 R N -0.507 120.229 120.500 0.393 0.000 2.280 330 R HA 0.090 4.429 4.340 -0.001 0.000 0.195 330 R C 0.303 176.728 176.300 0.209 0.000 0.935 330 R CA 0.728 56.968 56.100 0.233 0.000 1.033 330 R CB 0.239 30.610 30.300 0.118 0.000 0.964 330 R HN 0.758 nan 8.270 nan 0.000 0.489 331 T N -1.036 113.686 114.554 0.279 0.000 2.922 331 T HA 0.113 4.462 4.350 -0.001 0.000 0.281 331 T C 0.598 175.425 174.700 0.210 0.000 1.005 331 T CA -0.948 61.279 62.100 0.212 0.000 0.982 331 T CB 1.240 70.219 68.868 0.186 0.000 1.158 331 T HN 0.067 nan 8.240 nan 0.000 0.566 332 N N 0.032 118.824 118.700 0.155 0.000 2.327 332 N HA 0.145 4.884 4.740 -0.001 0.000 0.231 332 N C -0.732 174.786 175.510 0.014 0.000 1.130 332 N CA -0.368 52.736 53.050 0.090 0.000 0.845 332 N CB -0.110 38.314 38.487 -0.106 0.000 1.073 332 N HN 0.377 nan 8.380 nan 0.000 0.496 333 V N 1.313 121.261 119.914 0.057 0.000 2.409 333 V HA 0.419 4.538 4.120 -0.001 0.000 0.291 333 V C -0.623 175.568 176.094 0.162 0.000 1.020 333 V CA -0.966 61.370 62.300 0.061 0.000 0.848 333 V CB 1.516 33.348 31.823 0.014 0.000 0.990 333 V HN 0.187 nan 8.190 nan 0.000 0.430 334 L N 5.796 127.056 121.223 0.061 0.000 2.341 334 L HA 0.701 5.040 4.340 -0.001 0.000 0.278 334 L C -0.866 175.871 176.870 -0.222 0.000 1.005 334 L CA -0.480 54.309 54.840 -0.085 0.000 0.818 334 L CB 1.681 43.598 42.059 -0.238 0.000 1.259 334 L HN 0.636 nan 8.230 nan 0.000 0.418 335 L N 6.335 127.211 121.223 -0.579 0.000 2.264 335 L HA 0.564 4.903 4.340 -0.001 0.000 0.289 335 L C -1.043 175.535 176.870 -0.488 0.000 1.044 335 L CA 0.120 54.455 54.840 -0.842 0.000 0.807 335 L CB 0.805 41.849 42.059 -1.691 0.000 1.192 335 L HN 0.449 nan 8.230 nan 0.000 0.425 336 I N 7.361 127.730 120.570 -0.335 0.000 2.502 336 I HA 0.340 4.509 4.170 -0.001 0.000 0.276 336 I C -2.289 173.808 176.117 -0.033 0.000 1.057 336 I CA -1.978 59.221 61.300 -0.169 0.000 1.163 336 I CB 0.983 38.863 38.000 -0.199 0.000 1.288 336 I HN 0.427 nan 8.210 nan 0.000 0.479 337 P HA 0.152 nan 4.420 nan 0.000 0.269 337 P C -0.438 177.045 177.300 0.304 0.000 1.209 337 P CA -0.218 63.015 63.100 0.221 0.000 0.776 337 P CB 0.848 32.713 31.700 0.275 0.000 0.876 338 L N 2.992 124.437 121.223 0.369 0.000 2.454 338 L HA 0.758 5.097 4.340 -0.001 0.000 0.258 338 L C -0.111 176.846 176.870 0.145 0.000 1.025 338 L CA 0.388 55.371 54.840 0.238 0.000 0.901 338 L CB 0.428 42.558 42.059 0.118 0.000 1.210 338 L HN 0.608 nan 8.230 nan 0.000 0.457 339 G N 1.662 110.428 108.800 -0.055 0.000 2.342 339 G HA2 0.476 4.435 3.960 -0.001 0.000 0.297 339 G HA3 0.476 4.435 3.960 -0.001 0.000 0.297 339 G C -2.192 172.599 174.900 -0.183 0.000 1.313 339 G CA -0.240 44.585 45.100 -0.458 0.000 0.830 339 G HN 0.384 nan 8.290 nan 0.000 0.506 340 D N -1.755 118.605 120.400 -0.067 0.000 2.879 340 D HA 0.304 4.943 4.640 -0.001 0.000 0.346 340 D C -1.495 174.951 176.300 0.243 0.000 1.390 340 D CA -0.445 53.698 54.000 0.239 0.000 0.838 340 D CB 1.346 42.242 40.800 0.160 0.000 1.416 340 D HN 0.228 nan 8.370 nan 0.000 0.493 341 D N 0.423 121.033 120.400 0.349 0.000 2.450 341 D HA 0.197 4.836 4.640 -0.001 0.000 0.247 341 D C 0.226 176.703 176.300 0.294 0.000 1.162 341 D CA 0.536 54.730 54.000 0.323 0.000 0.879 341 D CB -0.316 40.786 40.800 0.504 0.000 1.163 341 D HN 0.338 nan 8.370 nan 0.000 0.472 342 F N 0.172 120.185 119.950 0.104 0.000 3.079 342 F HA -0.312 4.215 4.527 -0.001 0.000 0.274 342 F C 1.120 176.964 175.800 0.074 0.000 0.940 342 F CA 0.596 58.640 58.000 0.072 0.000 0.932 342 F CB -0.962 38.070 39.000 0.052 0.000 0.891 342 F HN 0.231 nan 8.300 nan 0.000 0.722 343 R N -0.455 120.139 120.500 0.156 0.000 2.580 343 R HA 0.467 4.806 4.340 -0.001 0.000 0.267 343 R C 0.659 176.993 176.300 0.057 0.000 1.125 343 R CA -0.772 55.305 56.100 -0.039 0.000 1.188 343 R CB -0.098 30.072 30.300 -0.217 0.000 1.155 343 R HN 0.193 nan 8.270 nan 0.000 0.586 344 F N -0.723 119.060 119.950 -0.277 0.000 3.040 344 F HA -0.280 4.246 4.527 -0.001 0.000 0.298 344 F C 1.308 177.045 175.800 -0.105 0.000 0.948 344 F CA 1.015 58.637 58.000 -0.629 0.000 1.022 344 F CB -1.064 37.261 39.000 -1.124 0.000 1.023 344 F HN 0.603 nan 8.300 nan 0.000 0.742 345 K N 0.183 120.624 120.400 0.068 0.000 2.107 345 K HA 0.100 4.419 4.320 -0.001 0.000 0.211 345 K C 0.765 177.521 176.600 0.260 0.000 1.024 345 K CA 0.471 56.888 56.287 0.217 0.000 0.953 345 K CB 0.195 32.787 32.500 0.153 0.000 0.831 345 K HN 0.406 nan 8.250 nan 0.000 0.454 346 Q N 1.244 121.151 119.800 0.178 0.000 2.394 346 Q HA 0.054 4.393 4.340 -0.001 0.000 0.248 346 Q C 0.652 176.829 176.000 0.296 0.000 0.992 346 Q CA -0.374 55.559 55.803 0.216 0.000 0.888 346 Q CB 0.789 29.665 28.738 0.230 0.000 1.257 346 Q HN 0.312 nan 8.270 nan 0.000 0.462 347 N N 0.724 119.586 118.700 0.271 0.000 2.149 347 N HA -0.153 4.586 4.740 -0.001 0.000 0.188 347 N C 1.736 177.381 175.510 0.226 0.000 1.019 347 N CA 2.011 55.236 53.050 0.292 0.000 0.857 347 N CB -0.326 38.352 38.487 0.319 0.000 0.997 347 N HN 0.726 nan 8.380 nan 0.000 0.426 348 T N -1.091 113.604 114.554 0.235 0.000 2.881 348 T HA -0.119 4.231 4.350 -0.001 0.000 0.270 348 T C 1.704 176.588 174.700 0.306 0.000 1.068 348 T CA 1.127 63.383 62.100 0.259 0.000 1.131 348 T CB -0.081 68.927 68.868 0.234 0.000 0.871 348 T HN 0.329 nan 8.240 nan 0.000 0.479 349 E N -0.305 120.029 120.200 0.223 0.000 2.072 349 E HA -0.080 4.270 4.350 -0.001 0.000 0.190 349 E C 1.813 178.312 176.600 -0.168 0.000 0.982 349 E CA 0.611 56.922 56.400 -0.148 0.000 0.803 349 E CB -0.232 29.217 29.700 -0.418 0.000 0.755 349 E HN 0.695 nan 8.360 nan 0.000 0.453 350 W N 1.859 123.059 121.300 -0.167 0.000 2.335 350 W HA -0.198 4.461 4.660 -0.001 0.000 0.311 350 W C 2.095 178.548 176.519 -0.111 0.000 1.213 350 W CA 1.371 58.595 57.345 -0.201 0.000 1.274 350 W CB -0.265 28.715 29.460 -0.800 0.000 1.148 350 W HN 0.186 nan 8.180 nan 0.000 0.498 351 D N -0.621 119.867 120.400 0.147 0.000 2.117 351 D HA -0.167 4.473 4.640 -0.001 0.000 0.198 351 D C 2.290 178.658 176.300 0.113 0.000 0.982 351 D CA 1.403 55.498 54.000 0.158 0.000 0.828 351 D CB -0.995 39.904 40.800 0.165 0.000 0.967 351 D HN 0.023 nan 8.370 nan 0.000 0.464 352 V N 0.944 120.918 119.914 0.101 0.000 2.407 352 V HA -0.213 3.906 4.120 -0.001 0.000 0.248 352 V C 2.229 178.351 176.094 0.047 0.000 1.055 352 V CA 1.592 63.936 62.300 0.073 0.000 1.049 352 V CB -0.066 31.850 31.823 0.155 0.000 0.662 352 V HN 0.152 nan 8.190 nan 0.000 0.455 353 Q N -0.426 119.441 119.800 0.111 0.000 2.062 353 Q HA -0.163 4.177 4.340 -0.001 0.000 0.196 353 Q C 2.341 178.542 176.000 0.335 0.000 0.967 353 Q CA 1.720 57.692 55.803 0.281 0.000 0.832 353 Q CB -0.459 28.424 28.738 0.242 0.000 0.899 353 Q HN 0.607 nan 8.270 nan 0.000 0.442 354 R N 0.523 121.179 120.500 0.260 0.000 2.073 354 R HA -0.110 4.229 4.340 -0.001 0.000 0.234 354 R C 2.228 178.679 176.300 0.252 0.000 1.134 354 R CA 1.441 57.730 56.100 0.315 0.000 0.952 354 R CB -0.083 30.354 30.300 0.228 0.000 0.850 354 R HN 0.061 nan 8.270 nan 0.000 0.433 355 V N 1.950 121.929 119.914 0.109 0.000 2.358 355 V HA -0.232 3.887 4.120 -0.001 0.000 0.246 355 V C 2.010 178.033 176.094 -0.118 0.000 1.047 355 V CA 1.849 64.162 62.300 0.021 0.000 1.035 355 V CB -0.621 31.204 31.823 0.003 0.000 0.658 355 V HN 0.437 nan 8.190 nan 0.000 0.452 356 N N -0.647 117.868 118.700 -0.307 0.000 2.142 356 N HA -0.161 4.579 4.740 -0.001 0.000 0.186 356 N C 1.870 177.052 175.510 -0.546 0.000 1.023 356 N CA 1.621 54.274 53.050 -0.661 0.000 0.852 356 N CB -0.303 37.178 38.487 -1.676 0.000 0.998 356 N HN 0.517 nan 8.380 nan 0.000 0.424 357 Y N 1.983 122.089 120.300 -0.324 0.000 2.242 357 Y HA -0.070 4.480 4.550 -0.001 0.000 0.291 357 Y C 2.370 177.763 175.900 -0.844 0.000 1.137 357 Y CA 0.996 58.783 58.100 -0.522 0.000 1.181 357 Y CB -0.121 38.132 38.460 -0.345 0.000 0.989 357 Y HN 0.127 nan 8.280 nan 0.000 0.527 358 E N -0.194 119.870 120.200 -0.227 0.000 2.118 358 E HA -0.240 4.109 4.350 -0.001 0.000 0.195 358 E C 2.210 178.750 176.600 -0.100 0.000 0.992 358 E CA 1.157 57.502 56.400 -0.092 0.000 0.804 358 E CB -0.149 29.614 29.700 0.106 0.000 0.741 358 E HN 0.471 nan 8.360 nan 0.000 0.458 359 R N 0.297 120.717 120.500 -0.134 0.000 2.092 359 R HA -0.080 4.259 4.340 -0.001 0.000 0.231 359 R C 2.461 178.720 176.300 -0.069 0.000 1.119 359 R CA 0.820 56.872 56.100 -0.081 0.000 0.970 359 R CB -0.228 30.006 30.300 -0.109 0.000 0.864 359 R HN 0.155 nan 8.270 nan 0.000 0.440 360 L N -0.398 120.713 121.223 -0.187 0.000 2.017 360 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 360 L C 2.106 179.004 176.870 0.047 0.000 1.073 360 L CA 1.141 55.907 54.840 -0.122 0.000 0.745 360 L CB -0.401 41.499 42.059 -0.264 0.000 0.894 360 L HN 0.080 nan 8.230 nan 0.000 0.432 361 F N 0.281 120.242 119.950 0.018 0.000 2.134 361 F HA -0.220 4.306 4.527 -0.001 0.000 0.299 361 F C 2.648 178.450 175.800 0.003 0.000 1.097 361 F CA 1.363 59.359 58.000 -0.006 0.000 1.264 361 F CB -0.981 37.972 39.000 -0.077 0.000 1.001 361 F HN 0.215 nan 8.300 nan 0.000 0.479 362 E N -0.738 119.583 120.200 0.202 0.000 2.077 362 E HA -0.287 4.062 4.350 -0.001 0.000 0.193 362 E C 2.207 178.887 176.600 0.134 0.000 0.989 362 E CA 1.463 57.946 56.400 0.137 0.000 0.800 362 E CB -0.245 29.520 29.700 0.108 0.000 0.746 362 E HN 0.503 nan 8.360 nan 0.000 0.452 363 H N 0.255 119.368 119.070 0.072 0.000 2.299 363 H HA -0.060 4.496 4.556 -0.001 0.000 0.302 363 H C 2.056 177.464 175.328 0.134 0.000 1.078 363 H CA 2.214 58.318 56.048 0.093 0.000 1.323 363 H CB -0.185 29.628 29.762 0.084 0.000 1.381 363 H HN 0.151 nan 8.280 nan 0.000 0.498 364 I N 0.425 121.056 120.570 0.101 0.000 2.179 364 I HA -0.286 3.883 4.170 -0.001 0.000 0.242 364 I C 1.624 177.754 176.117 0.023 0.000 1.088 364 I CA 1.353 62.650 61.300 -0.005 0.000 1.357 364 I CB -0.274 37.653 38.000 -0.121 0.000 1.051 364 I HN 0.364 nan 8.210 nan 0.000 0.409 365 N N 0.210 118.922 118.700 0.020 0.000 2.453 365 N HA -0.108 4.632 4.740 -0.001 0.000 0.183 365 N C 1.806 177.299 175.510 -0.028 0.000 1.041 365 N CA 1.404 54.444 53.050 -0.017 0.000 0.900 365 N CB -0.230 38.240 38.487 -0.028 0.000 0.961 365 N HN 0.404 nan 8.380 nan 0.000 0.443 366 S N -1.019 114.658 115.700 -0.037 0.000 2.535 366 S HA 0.136 4.606 4.470 -0.001 0.000 0.214 366 S C 0.531 175.079 174.600 -0.086 0.000 0.980 366 S CA -0.204 57.965 58.200 -0.051 0.000 0.907 366 S CB 0.302 63.483 63.200 -0.033 0.000 0.790 366 S HN -0.028 nan 8.310 nan 0.000 0.510 367 Q N 1.371 121.095 119.800 -0.126 0.000 2.465 367 Q HA 0.535 4.875 4.340 -0.001 0.000 0.237 367 Q C 1.001 176.849 176.000 -0.253 0.000 1.051 367 Q CA 0.129 55.809 55.803 -0.204 0.000 0.874 367 Q CB 1.195 29.718 28.738 -0.360 0.000 1.207 367 Q HN 0.453 nan 8.270 nan 0.000 0.508 368 A N 2.620 125.361 122.820 -0.131 0.000 1.958 368 A HA -0.290 4.029 4.320 -0.001 0.000 0.221 368 A C 1.642 179.152 177.584 -0.124 0.000 1.178 368 A CA 2.335 54.315 52.037 -0.095 0.000 0.642 368 A CB -0.791 18.186 19.000 -0.039 0.000 0.816 368 A HN 0.899 nan 8.150 nan 0.000 0.453 369 H N -3.351 115.644 119.070 -0.125 0.000 2.489 369 H HA -0.068 4.487 4.556 -0.001 0.000 0.295 369 H C 1.366 176.633 175.328 -0.101 0.000 1.082 369 H CA 1.598 57.558 56.048 -0.147 0.000 1.295 369 H CB -0.622 28.993 29.762 -0.244 0.000 1.380 369 H HN 0.450 nan 8.280 nan 0.000 0.548 370 F N 0.739 120.385 119.950 -0.506 0.000 2.367 370 F HA 0.047 4.574 4.527 -0.001 0.000 0.298 370 F C 0.738 176.468 175.800 -0.117 0.000 1.094 370 F CA 0.538 58.392 58.000 -0.244 0.000 1.409 370 F CB -0.213 38.618 39.000 -0.282 0.000 1.064 370 F HN 0.144 nan 8.300 nan 0.000 0.528 371 N N 0.694 119.433 118.700 0.065 0.000 2.725 371 N HA -0.163 4.576 4.740 -0.001 0.000 0.251 371 N C -1.051 174.434 175.510 -0.042 0.000 1.031 371 N CA 0.445 53.514 53.050 0.031 0.000 0.720 371 N CB -1.497 37.059 38.487 0.115 0.000 0.930 371 N HN 0.038 nan 8.380 nan 0.000 0.543 372 V N 0.595 120.478 119.914 -0.050 0.000 2.735 372 V HA 0.422 4.541 4.120 -0.001 0.000 0.310 372 V C 0.112 176.122 176.094 -0.139 0.000 1.061 372 V CA -0.673 61.549 62.300 -0.130 0.000 0.913 372 V CB 2.496 34.263 31.823 -0.093 0.000 1.005 372 V HN 0.188 nan 8.190 nan 0.000 0.428 373 Q N 3.026 122.692 119.800 -0.223 0.000 2.363 373 Q HA 0.754 5.093 4.340 -0.001 0.000 0.265 373 Q C -0.821 174.925 176.000 -0.424 0.000 1.032 373 Q CA -0.141 55.504 55.803 -0.263 0.000 0.746 373 Q CB 1.570 30.157 28.738 -0.250 0.000 1.237 373 Q HN 1.003 nan 8.270 nan 0.000 0.475 374 A N 4.258 126.811 122.820 -0.445 0.000 2.350 374 A HA 0.922 5.241 4.320 -0.001 0.000 0.324 374 A C -1.173 175.725 177.584 -1.144 0.000 1.118 374 A CA -0.491 51.107 52.037 -0.732 0.000 0.783 374 A CB 1.218 19.962 19.000 -0.426 0.000 1.236 374 A HN 0.769 nan 8.150 nan 0.000 0.457 375 Q N 1.025 120.033 119.800 -1.319 0.000 2.633 375 Q HA 0.434 4.773 4.340 -0.001 0.000 0.289 375 Q C -1.722 173.827 176.000 -0.752 0.000 0.940 375 Q CA -0.698 54.357 55.803 -1.248 0.000 0.785 375 Q CB 0.504 28.895 28.738 -0.578 0.000 1.467 375 Q HN 0.381 nan 8.270 nan 0.000 0.401 376 F N 0.554 120.388 119.950 -0.194 0.000 2.518 376 F HA 0.629 5.156 4.527 -0.001 0.000 0.359 376 F C 1.237 177.070 175.800 0.055 0.000 1.118 376 F CA 1.496 59.520 58.000 0.039 0.000 1.287 376 F CB 0.970 40.052 39.000 0.138 0.000 1.132 376 F HN 0.756 nan 8.300 nan 0.000 0.587 377 G N 0.310 109.282 108.800 0.287 0.000 2.687 377 G HA2 0.608 4.568 3.960 -0.001 0.000 0.291 377 G HA3 0.608 4.568 3.960 -0.001 0.000 0.291 377 G C -1.104 173.793 174.900 -0.005 0.000 1.420 377 G CA -0.614 44.595 45.100 0.182 0.000 0.796 377 G HN 0.713 nan 8.290 nan 0.000 0.485 378 T N -1.919 112.554 114.554 -0.135 0.000 2.938 378 T HA 0.483 4.833 4.350 -0.001 0.000 0.285 378 T C 1.251 175.788 174.700 -0.271 0.000 1.028 378 T CA -0.468 61.513 62.100 -0.199 0.000 1.005 378 T CB 1.550 70.316 68.868 -0.170 0.000 1.157 378 T HN 0.570 nan 8.240 nan 0.000 0.550 379 L N 0.512 121.574 121.223 -0.268 0.000 2.056 379 L HA 0.042 4.382 4.340 -0.001 0.000 0.207 379 L C 2.762 179.581 176.870 -0.085 0.000 1.078 379 L CA 1.962 56.670 54.840 -0.221 0.000 0.749 379 L CB -1.115 40.849 42.059 -0.158 0.000 0.901 379 L HN 0.894 nan 8.230 nan 0.000 0.433 380 Q N -0.083 119.697 119.800 -0.033 0.000 2.124 380 Q HA -0.220 4.120 4.340 -0.001 0.000 0.202 380 Q C 2.073 178.006 176.000 -0.111 0.000 0.977 380 Q CA 1.951 57.770 55.803 0.028 0.000 0.850 380 Q CB -0.163 28.564 28.738 -0.018 0.000 0.901 380 Q HN 0.631 nan 8.270 nan 0.000 0.429 381 E N -1.194 118.847 120.200 -0.265 0.000 2.077 381 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 381 E C 1.663 177.816 176.600 -0.745 0.000 0.989 381 E CA 1.115 57.237 56.400 -0.464 0.000 0.800 381 E CB -0.285 29.073 29.700 -0.570 0.000 0.746 381 E HN 0.469 nan 8.360 nan 0.000 0.452 382 Y N 0.703 120.460 120.300 -0.904 0.000 2.070 382 Y HA -0.274 4.275 4.550 -0.001 0.000 0.280 382 Y C 1.891 177.491 175.900 -0.500 0.000 1.148 382 Y CA 1.618 59.210 58.100 -0.847 0.000 1.125 382 Y CB -0.545 37.444 38.460 -0.784 0.000 0.975 382 Y HN -0.066 nan 8.280 nan 0.000 0.492 383 F N 0.984 120.668 119.950 -0.443 0.000 2.171 383 F HA -0.202 4.324 4.527 -0.001 0.000 0.300 383 F C 2.252 177.817 175.800 -0.391 0.000 1.090 383 F CA 1.810 59.526 58.000 -0.472 0.000 1.293 383 F CB -0.841 38.079 39.000 -0.133 0.000 1.013 383 F HN 0.119 nan 8.300 nan 0.000 0.486 384 D N -0.071 120.276 120.400 -0.088 0.000 2.144 384 D HA -0.138 4.501 4.640 -0.001 0.000 0.199 384 D C 2.345 178.567 176.300 -0.130 0.000 0.984 384 D CA 1.434 55.392 54.000 -0.070 0.000 0.834 384 D CB -0.541 40.209 40.800 -0.084 0.000 0.955 384 D HN 0.251 nan 8.370 nan 0.000 0.465 385 A N 0.420 123.105 122.820 -0.225 0.000 1.929 385 A HA -0.074 4.245 4.320 -0.001 0.000 0.216 385 A C 2.492 179.954 177.584 -0.205 0.000 1.176 385 A CA 0.769 52.720 52.037 -0.145 0.000 0.628 385 A CB -0.545 18.448 19.000 -0.011 0.000 0.816 385 A HN 0.129 nan 8.150 nan 0.000 0.444 386 V N -0.144 119.510 119.914 -0.434 0.000 2.343 386 V HA -0.233 3.886 4.120 -0.001 0.000 0.247 386 V C 2.380 178.282 176.094 -0.320 0.000 1.051 386 V CA 2.025 64.070 62.300 -0.426 0.000 1.036 386 V CB -0.988 30.401 31.823 -0.725 0.000 0.654 386 V HN 0.646 nan 8.190 nan 0.000 0.451 387 H N -0.288 118.664 119.070 -0.196 0.000 2.462 387 H HA -0.065 4.490 4.556 -0.001 0.000 0.292 387 H C 2.393 177.683 175.328 -0.062 0.000 1.049 387 H CA 1.257 57.219 56.048 -0.142 0.000 1.334 387 H CB -0.017 29.620 29.762 -0.210 0.000 1.404 387 H HN 0.550 nan 8.280 nan 0.000 0.544 388 Q N 0.238 120.051 119.800 0.023 0.000 2.119 388 Q HA -0.041 4.299 4.340 -0.001 0.000 0.201 388 Q C 2.550 178.567 176.000 0.028 0.000 0.972 388 Q CA 1.196 57.011 55.803 0.020 0.000 0.847 388 Q CB 0.043 28.783 28.738 0.003 0.000 0.903 388 Q HN 0.396 nan 8.270 nan 0.000 0.433 389 A N 1.140 123.972 122.820 0.021 0.000 1.877 389 A HA -0.266 4.053 4.320 -0.001 0.000 0.216 389 A C 1.948 179.562 177.584 0.049 0.000 1.186 389 A CA 1.635 53.697 52.037 0.042 0.000 0.620 389 A CB -0.584 18.445 19.000 0.048 0.000 0.822 389 A HN 0.449 nan 8.150 nan 0.000 0.443 390 E N -0.189 120.057 120.200 0.076 0.000 2.058 390 E HA -0.240 4.109 4.350 -0.001 0.000 0.194 390 E C 2.225 178.862 176.600 0.061 0.000 0.997 390 E CA 1.293 57.746 56.400 0.088 0.000 0.801 390 E CB -0.155 29.701 29.700 0.261 0.000 0.746 390 E HN 0.580 nan 8.360 nan 0.000 0.450 391 R N -0.266 120.273 120.500 0.066 0.000 2.152 391 R HA -0.051 4.289 4.340 -0.001 0.000 0.232 391 R C 2.092 178.409 176.300 0.028 0.000 1.117 391 R CA 0.849 56.974 56.100 0.042 0.000 0.981 391 R CB -0.158 30.162 30.300 0.033 0.000 0.870 391 R HN 0.140 nan 8.270 nan 0.000 0.451 392 A N 0.301 123.138 122.820 0.029 0.000 2.235 392 A HA 0.177 4.496 4.320 -0.001 0.000 0.208 392 A C 1.347 178.942 177.584 0.017 0.000 1.172 392 A CA 0.748 52.800 52.037 0.025 0.000 0.786 392 A CB -0.245 18.776 19.000 0.035 0.000 0.804 392 A HN 0.450 nan 8.150 nan 0.000 0.479 393 G N -0.303 108.503 108.800 0.011 0.000 2.143 393 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.248 393 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.248 393 G C 0.743 175.635 174.900 -0.014 0.000 0.991 393 G CA 0.741 45.838 45.100 -0.004 0.000 0.689 393 G HN 1.008 nan 8.290 nan 0.000 0.522 394 Q N -0.770 119.027 119.800 -0.004 0.000 2.425 394 Q HA 0.655 4.994 4.340 -0.001 0.000 0.204 394 Q C 0.845 176.818 176.000 -0.045 0.000 0.933 394 Q CA 1.168 56.970 55.803 -0.002 0.000 0.939 394 Q CB 0.382 29.156 28.738 0.060 0.000 1.044 394 Q HN 1.671 nan 8.270 nan 0.000 0.513 395 A N 1.173 123.922 122.820 -0.119 0.000 2.605 395 A HA 0.507 4.827 4.320 -0.001 0.000 0.294 395 A C -1.742 175.606 177.584 -0.394 0.000 1.062 395 A CA -0.919 50.953 52.037 -0.275 0.000 0.682 395 A CB 1.264 20.029 19.000 -0.391 0.000 1.278 395 A HN 0.369 nan 8.150 nan 0.000 0.410 396 E N 0.834 120.783 120.200 -0.417 0.000 2.266 396 E HA 0.747 5.097 4.350 -0.001 0.000 0.268 396 E C -1.777 174.605 176.600 -0.364 0.000 0.879 396 E CA -0.568 55.659 56.400 -0.288 0.000 0.762 396 E CB 1.769 31.416 29.700 -0.088 0.000 1.199 396 E HN 0.325 nan 8.360 nan 0.000 0.422 397 F N 1.912 121.968 119.950 0.176 0.000 2.450 397 F HA 0.419 4.946 4.527 -0.000 0.000 0.332 397 F C -1.856 174.046 175.800 0.169 0.000 1.093 397 F CA -2.294 55.834 58.000 0.214 0.000 1.003 397 F CB 1.264 40.474 39.000 0.348 0.000 1.151 397 F HN 0.339 nan 8.300 nan 0.000 0.474 398 P HA 0.194 nan 4.420 nan 0.000 0.274 398 P C -0.684 176.756 177.300 0.232 0.000 1.237 398 P CA -0.368 62.862 63.100 0.216 0.000 0.793 398 P CB 1.047 32.841 31.700 0.157 0.000 0.977 399 T N -0.502 114.141 114.554 0.148 0.000 2.907 399 T HA 0.678 5.027 4.350 -0.001 0.000 0.284 399 T C -0.266 174.463 174.700 0.048 0.000 1.004 399 T CA -0.798 61.383 62.100 0.134 0.000 1.063 399 T CB 1.079 70.003 68.868 0.093 0.000 0.992 399 T HN 0.465 nan 8.240 nan 0.000 0.483 400 L N 1.721 122.972 121.223 0.046 0.000 2.472 400 L HA 0.721 5.061 4.340 -0.001 0.000 0.260 400 L C -0.744 176.117 176.870 -0.014 0.000 0.963 400 L CA -0.427 54.335 54.840 -0.131 0.000 0.829 400 L CB 2.203 43.939 42.059 -0.538 0.000 1.348 400 L HN 1.114 nan 8.230 nan 0.000 0.408 401 S N 2.408 118.052 115.700 -0.093 0.000 2.595 401 S HA 1.058 5.528 4.470 -0.001 0.000 0.281 401 S C -0.352 174.173 174.600 -0.124 0.000 1.117 401 S CA -0.015 58.188 58.200 0.006 0.000 0.873 401 S CB 2.070 65.236 63.200 -0.057 0.000 1.108 401 S HN 1.682 nan 8.310 nan 0.000 0.477 402 G N 1.059 109.843 108.800 -0.027 0.000 2.331 402 G HA2 0.323 4.283 3.960 -0.001 0.000 0.479 402 G HA3 0.323 4.283 3.960 -0.001 0.000 0.479 402 G C -1.806 172.998 174.900 -0.160 0.000 1.262 402 G CA -0.007 44.980 45.100 -0.188 0.000 1.029 402 G HN 1.294 nan 8.290 nan 0.000 0.487 403 D N -1.703 118.467 120.400 -0.383 0.000 2.585 403 D HA 0.750 5.389 4.640 -0.001 0.000 0.254 403 D C -0.673 175.126 176.300 -0.836 0.000 1.067 403 D CA -1.049 52.745 54.000 -0.344 0.000 1.090 403 D CB 1.147 41.929 40.800 -0.029 0.000 1.408 403 D HN 0.386 nan 8.370 nan 0.000 0.554 404 F N -0.399 119.434 119.950 -0.195 0.000 2.679 404 F HA 0.400 4.926 4.527 -0.001 0.000 0.354 404 F C -0.945 174.696 175.800 -0.265 0.000 1.423 404 F CA -0.637 57.248 58.000 -0.193 0.000 1.141 404 F CB 0.183 39.096 39.000 -0.144 0.000 1.168 404 F HN 0.001 nan 8.300 nan 0.000 0.530 405 F N -0.662 119.466 119.950 0.296 0.000 2.546 405 F HA 0.559 5.086 4.527 -0.001 0.000 0.320 405 F C 0.552 176.610 175.800 0.429 0.000 1.076 405 F CA -1.387 56.857 58.000 0.406 0.000 0.928 405 F CB 1.712 40.939 39.000 0.379 0.000 1.189 405 F HN -0.279 nan 8.300 nan 0.000 0.465 406 T N 2.044 116.985 114.554 0.644 0.000 2.806 406 T HA 0.163 4.513 4.350 -0.001 0.000 0.290 406 T C -0.938 174.236 174.700 0.789 0.000 0.966 406 T CA -0.207 62.337 62.100 0.739 0.000 1.060 406 T CB 0.118 69.279 68.868 0.488 0.000 0.927 406 T HN 0.372 nan 8.240 nan 0.000 0.485 407 Y N 3.099 123.735 120.300 0.560 0.000 2.511 407 Y HA 0.408 4.957 4.550 -0.001 0.000 0.332 407 Y C -0.121 175.845 175.900 0.110 0.000 1.177 407 Y CA -1.031 57.234 58.100 0.274 0.000 1.422 407 Y CB 0.104 38.599 38.460 0.057 0.000 1.271 407 Y HN 0.682 nan 8.280 nan 0.000 0.550 408 A N 5.241 127.635 122.820 -0.711 0.000 2.374 408 A HA 0.363 4.683 4.320 -0.001 0.000 0.305 408 A C -0.053 176.922 177.584 -1.015 0.000 1.053 408 A CA -0.272 51.178 52.037 -0.979 0.000 0.726 408 A CB 0.704 18.854 19.000 -1.417 0.000 1.229 408 A HN 0.805 nan 8.150 nan 0.000 0.431 409 D N 1.542 121.506 120.400 -0.727 0.000 2.346 409 D HA 0.050 4.689 4.640 -0.001 0.000 0.206 409 D C 0.514 176.845 176.300 0.052 0.000 1.001 409 D CA 0.528 54.353 54.000 -0.291 0.000 0.871 409 D CB 0.162 40.918 40.800 -0.074 0.000 0.943 409 D HN 0.724 nan 8.370 nan 0.000 0.518 410 R N -2.212 118.259 120.500 -0.048 0.000 2.664 410 R HA 0.424 4.763 4.340 -0.001 0.000 0.260 410 R C -0.293 175.907 176.300 -0.166 0.000 1.062 410 R CA -0.237 55.684 56.100 -0.298 0.000 0.902 410 R CB 0.910 31.106 30.300 -0.173 0.000 1.258 410 R HN -0.096 nan 8.270 nan 0.000 0.465 411 S N 0.300 115.850 115.700 -0.251 0.000 3.961 411 S HA -0.266 4.204 4.470 -0.001 0.000 0.627 411 S C 0.193 174.876 174.600 0.139 0.000 2.148 411 S CA 1.713 59.903 58.200 -0.017 0.000 4.099 411 S CB -1.144 62.035 63.200 -0.035 0.000 0.219 411 S HN 1.101 nan 8.310 nan 0.000 0.744 412 D N 1.413 121.877 120.400 0.108 0.000 2.463 412 D HA 0.211 4.850 4.640 -0.001 0.000 0.224 412 D C 0.010 176.411 176.300 0.168 0.000 1.174 412 D CA -0.160 53.970 54.000 0.216 0.000 0.829 412 D CB -1.409 39.498 40.800 0.178 0.000 0.993 412 D HN 0.497 nan 8.370 nan 0.000 0.497 413 N N 0.951 119.654 118.700 0.006 0.000 2.807 413 N HA 0.059 4.798 4.740 -0.001 0.000 0.259 413 N C -0.943 174.576 175.510 0.015 0.000 1.149 413 N CA -0.316 52.738 53.050 0.006 0.000 1.042 413 N CB 0.169 38.645 38.487 -0.018 0.000 1.367 413 N HN 0.136 nan 8.380 nan 0.000 0.516 414 Y N 0.189 120.572 120.300 0.139 0.000 2.313 414 Y HA 0.126 4.675 4.550 -0.001 0.000 0.332 414 Y C 0.097 176.191 175.900 0.323 0.000 1.071 414 Y CA -0.697 57.552 58.100 0.249 0.000 1.169 414 Y CB 0.602 39.156 38.460 0.157 0.000 1.192 414 Y HN 0.398 nan 8.280 nan 0.000 0.487 415 W N 2.390 123.826 121.300 0.227 0.000 1.694 415 W HA 0.218 4.878 4.660 -0.001 0.000 0.425 415 W C 0.847 177.406 176.519 0.067 0.000 0.615 415 W CA -0.496 57.015 57.345 0.277 0.000 2.237 415 W CB -0.487 29.259 29.460 0.477 0.000 1.478 415 W HN 0.548 nan 8.180 nan 0.000 0.427 416 S N -2.142 113.584 115.700 0.043 0.000 2.540 416 S HA 0.140 4.609 4.470 -0.001 0.000 0.218 416 S C 1.923 176.238 174.600 -0.475 0.000 0.977 416 S CA 0.304 58.133 58.200 -0.617 0.000 0.918 416 S CB 0.195 63.362 63.200 -0.055 0.000 0.806 416 S HN 0.332 nan 8.310 nan 0.000 0.496 417 G N 1.975 110.703 108.800 -0.120 0.000 2.408 417 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.217 417 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.217 417 G C 1.247 176.122 174.900 -0.042 0.000 1.150 417 G CA 0.868 45.908 45.100 -0.101 0.000 0.776 417 G HN 0.793 nan 8.290 nan 0.000 0.542 418 Y N -0.448 119.826 120.300 -0.042 0.000 2.616 418 Y HA 0.133 4.683 4.550 -0.001 0.000 0.296 418 Y C 1.818 177.849 175.900 0.218 0.000 1.154 418 Y CA -0.325 57.829 58.100 0.090 0.000 1.325 418 Y CB -0.382 38.209 38.460 0.218 0.000 1.007 418 Y HN 0.179 nan 8.280 nan 0.000 0.542 419 Y N 0.621 120.697 120.300 -0.373 0.000 2.574 419 Y HA -0.031 4.518 4.550 -0.001 0.000 0.294 419 Y C 1.704 177.553 175.900 -0.084 0.000 1.142 419 Y CA 0.647 58.567 58.100 -0.301 0.000 1.314 419 Y CB -0.742 37.576 38.460 -0.237 0.000 0.991 419 Y HN 0.303 nan 8.280 nan 0.000 0.555 420 T N -2.705 111.916 114.554 0.112 0.000 2.966 420 T HA 0.082 4.432 4.350 -0.001 0.000 0.254 420 T C 0.696 175.482 174.700 0.144 0.000 0.961 420 T CA -0.081 62.086 62.100 0.112 0.000 0.915 420 T CB 0.048 68.950 68.868 0.057 0.000 1.186 420 T HN -0.063 nan 8.240 nan 0.000 0.505 421 S N 2.488 118.270 115.700 0.138 0.000 2.558 421 S HA 0.198 4.667 4.470 -0.001 0.000 0.293 421 S C 0.410 175.145 174.600 0.224 0.000 1.292 421 S CA -0.020 58.273 58.200 0.155 0.000 1.063 421 S CB 0.095 63.371 63.200 0.127 0.000 0.831 421 S HN 0.401 nan 8.310 nan 0.000 0.499 422 R N 1.059 121.707 120.500 0.247 0.000 3.146 422 R HA -0.123 4.217 4.340 -0.001 0.000 0.250 422 R C -1.957 174.587 176.300 0.407 0.000 0.912 422 R CA 0.685 57.006 56.100 0.369 0.000 0.633 422 R CB -1.739 28.817 30.300 0.426 0.000 1.180 422 R HN 0.513 nan 8.270 nan 0.000 0.464 423 P HA -0.225 nan 4.420 nan 0.000 0.223 423 P C 1.101 178.600 177.300 0.331 0.000 1.151 423 P CA 0.991 64.304 63.100 0.355 0.000 0.787 423 P CB -0.012 31.942 31.700 0.424 0.000 0.788 424 Y N 1.584 121.960 120.300 0.127 0.000 2.165 424 Y HA -0.237 4.312 4.550 -0.001 0.000 0.286 424 Y C 2.603 178.471 175.900 -0.054 0.000 1.155 424 Y CA 1.895 59.986 58.100 -0.015 0.000 1.164 424 Y CB -0.795 37.529 38.460 -0.228 0.000 0.978 424 Y HN 0.072 nan 8.280 nan 0.000 0.513 425 H N -0.522 118.793 119.070 0.409 0.000 2.470 425 H HA -0.015 4.541 4.556 -0.001 0.000 0.289 425 H C 1.973 177.449 175.328 0.246 0.000 1.033 425 H CA 1.174 57.381 56.048 0.266 0.000 1.331 425 H CB -0.002 29.971 29.762 0.351 0.000 1.414 425 H HN 0.391 nan 8.280 nan 0.000 0.545 426 K N 0.747 121.362 120.400 0.359 0.000 2.097 426 K HA -0.150 4.169 4.320 -0.001 0.000 0.206 426 K C 2.416 179.078 176.600 0.103 0.000 1.049 426 K CA 1.049 57.490 56.287 0.256 0.000 0.933 426 K CB 0.126 32.756 32.500 0.216 0.000 0.717 426 K HN -0.017 nan 8.250 nan 0.000 0.442 427 R N 1.338 121.870 120.500 0.052 0.000 2.073 427 R HA 0.020 4.360 4.340 -0.001 0.000 0.229 427 R C 2.042 178.128 176.300 -0.357 0.000 1.120 427 R CA 1.353 57.423 56.100 -0.050 0.000 0.967 427 R CB -0.406 29.952 30.300 0.098 0.000 0.862 427 R HN 0.143 nan 8.270 nan 0.000 0.436 428 M N 0.326 119.580 119.600 -0.578 0.000 2.149 428 M HA -0.209 4.270 4.480 -0.001 0.000 0.261 428 M C 1.424 177.417 176.300 -0.512 0.000 1.064 428 M CA 2.428 57.141 55.300 -0.978 0.000 1.102 428 M CB -0.319 31.885 32.600 -0.660 0.000 1.369 428 M HN 0.281 nan 8.290 nan 0.000 0.408 429 D N -0.339 119.946 120.400 -0.192 0.000 2.123 429 D HA -0.212 4.427 4.640 -0.001 0.000 0.196 429 D C 1.886 178.124 176.300 -0.103 0.000 0.992 429 D CA 1.380 55.364 54.000 -0.027 0.000 0.833 429 D CB 0.128 41.053 40.800 0.207 0.000 0.954 429 D HN 0.211 nan 8.370 nan 0.000 0.455 430 R N 0.003 120.419 120.500 -0.139 0.000 2.115 430 R HA 0.009 4.348 4.340 -0.001 0.000 0.226 430 R C 2.390 178.578 176.300 -0.187 0.000 1.100 430 R CA 0.370 56.384 56.100 -0.144 0.000 0.980 430 R CB -0.883 29.347 30.300 -0.116 0.000 0.875 430 R HN 0.257 nan 8.270 nan 0.000 0.445 431 V N 1.436 121.175 119.914 -0.292 0.000 2.307 431 V HA -0.204 3.915 4.120 -0.001 0.000 0.245 431 V C 2.339 178.375 176.094 -0.096 0.000 1.045 431 V CA 1.421 63.566 62.300 -0.258 0.000 1.024 431 V CB -0.539 30.928 31.823 -0.593 0.000 0.651 431 V HN 0.133 nan 8.190 nan 0.000 0.449 432 L N -0.337 120.784 121.223 -0.170 0.000 2.083 432 L HA -0.152 4.188 4.340 -0.001 0.000 0.209 432 L C 2.301 179.133 176.870 -0.062 0.000 1.083 432 L CA 2.016 56.815 54.840 -0.068 0.000 0.752 432 L CB -0.679 41.305 42.059 -0.125 0.000 0.899 432 L HN 0.338 nan 8.230 nan 0.000 0.433 433 M N -1.436 118.101 119.600 -0.105 0.000 2.082 433 M HA -0.312 4.167 4.480 -0.001 0.000 0.258 433 M C 2.434 178.643 176.300 -0.151 0.000 1.069 433 M CA 2.302 57.519 55.300 -0.138 0.000 1.102 433 M CB -0.627 31.860 32.600 -0.189 0.000 1.336 433 M HN 0.526 nan 8.290 nan 0.000 0.404 434 H N -0.882 118.054 119.070 -0.223 0.000 2.357 434 H HA -0.167 4.388 4.556 -0.001 0.000 0.301 434 H C 1.674 176.865 175.328 -0.229 0.000 1.082 434 H CA 2.083 57.971 56.048 -0.267 0.000 1.342 434 H CB -0.253 29.284 29.762 -0.375 0.000 1.389 434 H HN 0.480 nan 8.280 nan 0.000 0.511 435 Y N 0.348 120.490 120.300 -0.263 0.000 2.224 435 Y HA -0.169 4.381 4.550 -0.001 0.000 0.289 435 Y C 2.961 178.733 175.900 -0.213 0.000 1.146 435 Y CA 1.122 59.079 58.100 -0.238 0.000 1.182 435 Y CB -0.486 37.901 38.460 -0.122 0.000 0.983 435 Y HN 0.012 nan 8.280 nan 0.000 0.524 436 V N 0.158 120.041 119.914 -0.053 0.000 2.295 436 V HA -0.306 3.814 4.120 -0.001 0.000 0.246 436 V C 2.520 178.549 176.094 -0.109 0.000 1.049 436 V CA 2.164 64.418 62.300 -0.075 0.000 1.024 436 V CB -0.577 31.195 31.823 -0.086 0.000 0.648 436 V HN 0.321 nan 8.190 nan 0.000 0.447 437 R N 0.420 120.823 120.500 -0.163 0.000 2.083 437 R HA -0.194 4.145 4.340 -0.001 0.000 0.237 437 R C 2.243 178.479 176.300 -0.106 0.000 1.137 437 R CA 1.974 57.990 56.100 -0.139 0.000 0.951 437 R CB -0.516 29.688 30.300 -0.160 0.000 0.851 437 R HN 0.461 nan 8.270 nan 0.000 0.434 438 A N 0.582 123.282 122.820 -0.199 0.000 1.933 438 A HA -0.048 4.271 4.320 -0.001 0.000 0.218 438 A C 2.360 179.946 177.584 0.003 0.000 1.175 438 A CA 1.577 53.594 52.037 -0.035 0.000 0.628 438 A CB -0.698 18.242 19.000 -0.100 0.000 0.814 438 A HN 0.582 nan 8.150 nan 0.000 0.444 439 A N -0.149 122.662 122.820 -0.015 0.000 1.898 439 A HA -0.138 4.181 4.320 -0.001 0.000 0.216 439 A C 1.930 179.487 177.584 -0.045 0.000 1.181 439 A CA 1.506 53.534 52.037 -0.015 0.000 0.620 439 A CB -0.466 18.521 19.000 -0.022 0.000 0.819 439 A HN 0.617 nan 8.150 nan 0.000 0.442 440 E N -0.977 119.188 120.200 -0.059 0.000 2.106 440 E HA -0.177 4.172 4.350 -0.001 0.000 0.192 440 E C 2.047 178.595 176.600 -0.086 0.000 0.984 440 E CA 1.281 57.634 56.400 -0.079 0.000 0.806 440 E CB -0.241 29.410 29.700 -0.082 0.000 0.750 440 E HN 0.746 nan 8.360 nan 0.000 0.458 441 M N 0.720 120.293 119.600 -0.045 0.000 2.123 441 M HA -0.127 4.352 4.480 -0.001 0.000 0.263 441 M C 2.147 178.453 176.300 0.011 0.000 1.069 441 M CA 1.288 56.562 55.300 -0.044 0.000 1.133 441 M CB 0.061 32.733 32.600 0.119 0.000 1.356 441 M HN 0.071 nan 8.290 nan 0.000 0.415 442 L N 0.100 121.388 121.223 0.107 0.000 2.079 442 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 442 L C 2.580 179.615 176.870 0.276 0.000 1.081 442 L CA 1.694 56.656 54.840 0.203 0.000 0.752 442 L CB -0.544 41.497 42.059 -0.031 0.000 0.896 442 L HN 0.510 nan 8.230 nan 0.000 0.433 443 S N -1.082 114.703 115.700 0.141 0.000 2.528 443 S HA 0.086 4.555 4.470 -0.001 0.000 0.219 443 S C 1.959 176.733 174.600 0.290 0.000 0.985 443 S CA 0.358 58.714 58.200 0.259 0.000 0.914 443 S CB 0.048 63.211 63.200 -0.063 0.000 0.776 443 S HN 0.290 nan 8.310 nan 0.000 0.526 444 A N 0.876 123.690 122.820 -0.010 0.000 2.067 444 A HA 0.106 4.426 4.320 -0.001 0.000 0.219 444 A C 1.661 179.129 177.584 -0.193 0.000 1.158 444 A CA 0.680 52.612 52.037 -0.174 0.000 0.661 444 A CB -1.142 17.608 19.000 -0.417 0.000 0.801 444 A HN 0.754 nan 8.150 nan 0.000 0.452 445 W N -0.624 120.698 121.300 0.035 0.000 2.421 445 W HA -0.000 4.659 4.660 -0.001 0.000 0.270 445 W C 0.897 177.225 176.519 -0.318 0.000 1.233 445 W CA 1.006 58.272 57.345 -0.132 0.000 1.226 445 W CB -0.156 29.174 29.460 -0.217 0.000 1.121 445 W HN 0.401 nan 8.180 nan 0.000 0.579 446 H N -2.521 116.611 119.070 0.104 0.000 2.855 446 H HA 0.401 4.956 4.556 -0.001 0.000 0.363 446 H C -0.424 174.809 175.328 -0.158 0.000 1.185 446 H CA -0.959 55.000 56.048 -0.148 0.000 1.174 446 H CB 1.551 30.993 29.762 -0.534 0.000 1.857 446 H HN -0.451 nan 8.280 nan 0.000 0.565 447 S N 0.692 116.357 115.700 -0.059 0.000 2.525 447 S HA 0.242 4.711 4.470 -0.001 0.000 0.278 447 S C -1.195 173.308 174.600 -0.163 0.000 1.234 447 S CA -0.659 57.532 58.200 -0.016 0.000 1.058 447 S CB 0.233 63.434 63.200 0.001 0.000 0.983 447 S HN 0.316 nan 8.310 nan 0.000 0.495 448 W N 1.318 122.621 121.300 0.005 0.000 2.666 448 W HA 0.365 5.024 4.660 -0.001 0.000 0.334 448 W C 0.012 176.490 176.519 -0.069 0.000 1.051 448 W CA -0.907 56.414 57.345 -0.040 0.000 1.224 448 W CB 0.580 29.981 29.460 -0.099 0.000 1.405 448 W HN 0.559 nan 8.180 nan 0.000 0.513 449 D N 0.677 121.164 120.400 0.144 0.000 2.423 449 D HA 0.180 4.819 4.640 -0.001 0.000 0.238 449 D C 1.650 177.953 176.300 0.004 0.000 1.142 449 D CA 0.986 55.029 54.000 0.072 0.000 0.884 449 D CB 1.265 42.131 40.800 0.110 0.000 1.199 449 D HN 0.549 nan 8.370 nan 0.000 0.438 450 G N 2.783 111.593 108.800 0.016 0.000 2.485 450 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.221 450 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.221 450 G C 1.304 176.176 174.900 -0.045 0.000 1.115 450 G CA 0.457 45.551 45.100 -0.010 0.000 0.751 450 G HN 0.479 nan 8.290 nan 0.000 0.567 451 M N 1.000 120.584 119.600 -0.027 0.000 2.460 451 M HA 0.108 4.587 4.480 -0.001 0.000 0.263 451 M C 2.730 178.940 176.300 -0.149 0.000 1.071 451 M CA 0.723 56.028 55.300 0.009 0.000 1.096 451 M CB -0.811 31.892 32.600 0.172 0.000 1.408 451 M HN 0.318 nan 8.290 nan 0.000 0.463 452 A N -0.183 122.318 122.820 -0.532 0.000 2.167 452 A HA -0.014 4.305 4.320 -0.001 0.000 0.214 452 A C 1.215 178.582 177.584 -0.361 0.000 1.151 452 A CA 0.268 51.765 52.037 -0.900 0.000 0.735 452 A CB -0.320 17.980 19.000 -1.167 0.000 0.802 452 A HN 0.581 nan 8.150 nan 0.000 0.467 453 R N -1.622 118.749 120.500 -0.215 0.000 3.641 453 R HA -0.180 4.160 4.340 -0.001 0.000 0.286 453 R C 0.648 176.835 176.300 -0.187 0.000 1.153 453 R CA 0.752 56.768 56.100 -0.140 0.000 0.775 453 R CB -2.104 28.147 30.300 -0.082 0.000 1.215 453 R HN 0.478 nan 8.270 nan 0.000 0.474 454 I N 0.459 120.867 120.570 -0.270 0.000 2.193 454 I HA -0.170 3.999 4.170 -0.001 0.000 0.240 454 I C 2.107 178.098 176.117 -0.209 0.000 1.084 454 I CA 1.610 62.703 61.300 -0.345 0.000 1.365 454 I CB -0.643 36.995 38.000 -0.603 0.000 1.064 454 I HN 0.193 nan 8.210 nan 0.000 0.410 455 E N 0.763 120.879 120.200 -0.139 0.000 2.110 455 E HA -0.236 4.113 4.350 -0.001 0.000 0.193 455 E C 2.076 178.630 176.600 -0.077 0.000 0.988 455 E CA 1.165 57.511 56.400 -0.088 0.000 0.804 455 E CB -0.233 29.439 29.700 -0.047 0.000 0.745 455 E HN 0.469 nan 8.360 nan 0.000 0.458 456 E N 0.453 120.609 120.200 -0.073 0.000 2.051 456 E HA -0.252 4.097 4.350 -0.001 0.000 0.192 456 E C 1.922 178.482 176.600 -0.067 0.000 0.991 456 E CA 1.088 57.454 56.400 -0.056 0.000 0.799 456 E CB 0.098 29.769 29.700 -0.048 0.000 0.748 456 E HN -0.023 nan 8.360 nan 0.000 0.449 457 R N 0.225 120.672 120.500 -0.088 0.000 2.092 457 R HA 0.017 4.357 4.340 -0.001 0.000 0.231 457 R C 2.377 178.622 176.300 -0.090 0.000 1.119 457 R CA 0.822 56.871 56.100 -0.086 0.000 0.970 457 R CB -0.397 29.843 30.300 -0.099 0.000 0.864 457 R HN 0.272 nan 8.270 nan 0.000 0.440 458 L N -0.132 121.028 121.223 -0.105 0.000 2.093 458 L HA -0.113 4.227 4.340 -0.001 0.000 0.208 458 L C 2.350 179.162 176.870 -0.097 0.000 1.085 458 L CA 1.435 56.214 54.840 -0.101 0.000 0.755 458 L CB -0.394 41.600 42.059 -0.108 0.000 0.904 458 L HN 0.291 nan 8.230 nan 0.000 0.435 459 E N 0.140 120.288 120.200 -0.088 0.000 2.072 459 E HA -0.293 4.056 4.350 -0.001 0.000 0.191 459 E C 2.210 178.744 176.600 -0.110 0.000 0.985 459 E CA 1.185 57.527 56.400 -0.097 0.000 0.801 459 E CB 0.020 29.684 29.700 -0.060 0.000 0.750 459 E HN 0.427 nan 8.360 nan 0.000 0.452 460 Q N 0.048 119.801 119.800 -0.078 0.000 2.050 460 Q HA -0.214 4.126 4.340 -0.001 0.000 0.202 460 Q C 2.098 178.052 176.000 -0.077 0.000 0.980 460 Q CA 1.693 57.457 55.803 -0.065 0.000 0.840 460 Q CB -0.242 28.469 28.738 -0.045 0.000 0.898 460 Q HN 0.352 nan 8.270 nan 0.000 0.424 461 A N 1.053 123.826 122.820 -0.080 0.000 1.902 461 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 461 A C 2.087 179.613 177.584 -0.096 0.000 1.181 461 A CA 1.506 53.497 52.037 -0.077 0.000 0.623 461 A CB -0.527 18.430 19.000 -0.073 0.000 0.818 461 A HN 0.381 nan 8.150 nan 0.000 0.443 462 R N -0.830 119.594 120.500 -0.128 0.000 2.096 462 R HA -0.092 4.248 4.340 -0.001 0.000 0.235 462 R C 2.424 178.580 176.300 -0.240 0.000 1.127 462 R CA 1.598 57.598 56.100 -0.166 0.000 0.968 462 R CB -0.266 29.922 30.300 -0.187 0.000 0.861 462 R HN 0.492 nan 8.270 nan 0.000 0.440 463 R N 0.180 120.511 120.500 -0.283 0.000 2.115 463 R HA -0.052 4.288 4.340 -0.001 0.000 0.226 463 R C 2.013 178.260 176.300 -0.088 0.000 1.100 463 R CA 0.812 56.683 56.100 -0.382 0.000 0.980 463 R CB 0.069 30.167 30.300 -0.337 0.000 0.875 463 R HN 0.180 nan 8.270 nan 0.000 0.445 464 E N 0.767 120.946 120.200 -0.034 0.000 2.107 464 E HA -0.148 4.201 4.350 -0.001 0.000 0.191 464 E C 1.945 178.586 176.600 0.068 0.000 0.982 464 E CA 0.690 57.115 56.400 0.042 0.000 0.809 464 E CB -0.167 29.546 29.700 0.022 0.000 0.756 464 E HN 0.148 nan 8.360 nan 0.000 0.459 465 L N 1.149 122.380 121.223 0.013 0.000 2.093 465 L HA -0.061 4.279 4.340 -0.001 0.000 0.208 465 L C 2.132 179.051 176.870 0.082 0.000 1.085 465 L CA 1.541 56.407 54.840 0.044 0.000 0.755 465 L CB -0.512 41.538 42.059 -0.015 0.000 0.904 465 L HN -0.104 nan 8.230 nan 0.000 0.435 466 S N -0.445 115.268 115.700 0.022 0.000 2.368 466 S HA -0.159 4.311 4.470 -0.001 0.000 0.225 466 S C 1.830 176.575 174.600 0.242 0.000 1.030 466 S CA 1.470 59.715 58.200 0.075 0.000 0.999 466 S CB -0.536 62.604 63.200 -0.099 0.000 0.844 466 S HN 0.468 nan 8.310 nan 0.000 0.459 467 L N 0.676 122.083 121.223 0.307 0.000 2.079 467 L HA -0.013 4.326 4.340 -0.001 0.000 0.210 467 L C 1.846 178.825 176.870 0.181 0.000 1.081 467 L CA 1.627 56.640 54.840 0.288 0.000 0.752 467 L CB -0.592 41.611 42.059 0.240 0.000 0.896 467 L HN 0.283 nan 8.230 nan 0.000 0.433 468 F N -0.242 119.684 119.950 -0.040 0.000 2.451 468 F HA -0.114 4.412 4.527 -0.001 0.000 0.299 468 F C 2.168 177.890 175.800 -0.130 0.000 1.101 468 F CA 0.820 58.682 58.000 -0.230 0.000 1.436 468 F CB -0.239 38.666 39.000 -0.159 0.000 1.074 468 F HN 0.248 nan 8.300 nan 0.000 0.553 469 Q N -0.275 119.487 119.800 -0.063 0.000 2.500 469 Q HA -0.153 4.186 4.340 -0.001 0.000 0.213 469 Q C 0.762 176.703 176.000 -0.099 0.000 0.974 469 Q CA 0.435 56.177 55.803 -0.102 0.000 0.918 469 Q CB -1.312 27.439 28.738 0.022 0.000 0.980 469 Q HN 0.565 nan 8.270 nan 0.000 0.505 470 H N 1.820 120.777 119.070 -0.189 0.000 3.073 470 H HA -0.101 4.454 4.556 -0.001 0.000 0.340 470 H C 1.094 176.269 175.328 -0.255 0.000 1.054 470 H CA 0.453 56.386 56.048 -0.191 0.000 1.372 470 H CB 0.685 30.354 29.762 -0.155 0.000 1.314 470 H HN 0.338 nan 8.280 nan 0.000 0.603 471 H N 2.844 121.496 119.070 -0.697 0.000 2.563 471 H HA -0.024 4.531 4.556 -0.001 0.000 0.272 471 H C -0.278 174.635 175.328 -0.692 0.000 1.005 471 H CA 0.449 56.058 56.048 -0.733 0.000 1.171 471 H CB 0.258 29.576 29.762 -0.741 0.000 1.351 471 H HN 0.594 nan 8.280 nan 0.000 0.602 472 D N 0.354 120.050 120.400 -1.174 0.000 2.513 472 D HA 0.131 4.771 4.640 -0.001 0.000 0.222 472 D C 1.511 177.792 176.300 -0.032 0.000 1.210 472 D CA 0.261 54.115 54.000 -0.244 0.000 0.825 472 D CB 0.922 41.794 40.800 0.120 0.000 1.037 472 D HN 0.527 nan 8.370 nan 0.000 0.506 473 G N 1.279 109.860 108.800 -0.365 0.000 2.680 473 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.224 473 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.224 473 G C 1.345 175.671 174.900 -0.956 0.000 1.454 473 G CA -0.191 44.465 45.100 -0.739 0.000 0.900 473 G HN 0.195 nan 8.290 nan 0.000 0.570 474 I N 2.069 121.784 120.570 -1.424 0.000 2.423 474 I HA -0.182 3.987 4.170 -0.001 0.000 0.254 474 I C 2.883 178.915 176.117 -0.142 0.000 1.151 474 I CA 2.081 62.862 61.300 -0.864 0.000 1.421 474 I CB -0.059 37.595 38.000 -0.578 0.000 1.079 474 I HN 0.370 nan 8.210 nan 0.000 0.431 475 T N -1.589 112.931 114.554 -0.056 0.000 2.977 475 T HA 0.003 4.352 4.350 -0.001 0.000 0.271 475 T C 1.542 176.391 174.700 0.248 0.000 1.105 475 T CA 0.670 62.930 62.100 0.266 0.000 1.116 475 T CB -0.583 68.454 68.868 0.282 0.000 0.878 475 T HN 0.658 nan 8.240 nan 0.000 0.509 476 G N 1.384 110.286 108.800 0.170 0.000 2.176 476 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.252 476 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.252 476 G C 0.537 175.509 174.900 0.119 0.000 1.024 476 G CA 0.640 45.862 45.100 0.202 0.000 0.755 476 G HN 1.186 nan 8.290 nan 0.000 0.507 477 T N -3.421 111.191 114.554 0.095 0.000 3.215 477 T HA 0.748 5.097 4.350 -0.001 0.000 0.271 477 T C 0.789 175.675 174.700 0.310 0.000 1.012 477 T CA 1.009 63.093 62.100 -0.027 0.000 0.899 477 T CB 0.990 69.594 68.868 -0.440 0.000 1.089 477 T HN 1.575 nan 8.240 nan 0.000 0.552 478 A N 1.213 124.243 122.820 0.350 0.000 2.288 478 A HA 0.721 5.041 4.320 -0.001 0.000 0.328 478 A C 0.138 177.834 177.584 0.188 0.000 1.123 478 A CA -0.985 51.305 52.037 0.421 0.000 0.861 478 A CB 0.977 20.263 19.000 0.476 0.000 1.272 478 A HN 0.390 nan 8.150 nan 0.000 0.490 479 K N -0.272 120.170 120.400 0.070 0.000 2.276 479 K HA 0.160 4.480 4.320 -0.001 0.000 0.259 479 K C 1.061 177.673 176.600 0.020 0.000 1.001 479 K CA 0.343 56.643 56.287 0.022 0.000 0.927 479 K CB 0.359 32.860 32.500 0.003 0.000 0.969 479 K HN 0.729 nan 8.250 nan 0.000 0.490 480 T N 1.270 115.864 114.554 0.066 0.000 2.665 480 T HA -0.200 4.149 4.350 -0.001 0.000 0.268 480 T C 1.658 176.392 174.700 0.056 0.000 1.035 480 T CA 1.814 63.955 62.100 0.068 0.000 1.151 480 T CB -0.412 68.504 68.868 0.081 0.000 0.862 480 T HN 0.685 nan 8.240 nan 0.000 0.438 481 H N 0.541 119.603 119.070 -0.014 0.000 2.495 481 H HA 0.107 4.662 4.556 -0.001 0.000 0.287 481 H C 2.001 177.300 175.328 -0.047 0.000 1.033 481 H CA 0.787 56.819 56.048 -0.026 0.000 1.307 481 H CB -0.755 28.984 29.762 -0.038 0.000 1.401 481 H HN 0.271 nan 8.280 nan 0.000 0.555 482 V N 1.114 120.674 119.914 -0.590 0.000 2.407 482 V HA -0.163 3.956 4.120 -0.001 0.000 0.245 482 V C 3.007 178.915 176.094 -0.311 0.000 1.041 482 V CA 1.075 63.061 62.300 -0.523 0.000 1.040 482 V CB -0.413 31.161 31.823 -0.415 0.000 0.671 482 V HN 0.236 nan 8.190 nan 0.000 0.455 483 V N -0.017 119.851 119.914 -0.077 0.000 2.392 483 V HA -0.240 3.880 4.120 -0.001 0.000 0.249 483 V C 2.450 178.521 176.094 -0.038 0.000 1.059 483 V CA 1.932 64.245 62.300 0.021 0.000 1.051 483 V CB -0.511 31.286 31.823 -0.043 0.000 0.658 483 V HN 0.414 nan 8.190 nan 0.000 0.455 484 V N 0.343 120.242 119.914 -0.025 0.000 2.343 484 V HA -0.289 3.830 4.120 -0.001 0.000 0.247 484 V C 2.300 178.409 176.094 0.024 0.000 1.051 484 V CA 2.406 64.723 62.300 0.028 0.000 1.036 484 V CB -0.646 31.204 31.823 0.045 0.000 0.654 484 V HN 0.647 nan 8.190 nan 0.000 0.451 485 D N -1.011 119.359 120.400 -0.050 0.000 2.097 485 D HA -0.208 4.431 4.640 -0.001 0.000 0.195 485 D C 2.000 178.317 176.300 0.027 0.000 0.989 485 D CA 1.548 55.519 54.000 -0.048 0.000 0.827 485 D CB -0.162 40.550 40.800 -0.146 0.000 0.966 485 D HN 0.489 nan 8.370 nan 0.000 0.456 486 Y N 0.963 121.302 120.300 0.066 0.000 2.181 486 Y HA -0.061 4.488 4.550 -0.001 0.000 0.288 486 Y C 2.439 178.314 175.900 -0.041 0.000 1.146 486 Y CA 1.285 59.419 58.100 0.056 0.000 1.164 486 Y CB -0.785 37.772 38.460 0.162 0.000 0.982 486 Y HN 0.152 nan 8.280 nan 0.000 0.515 487 E N 0.091 120.391 120.200 0.166 0.000 2.077 487 E HA -0.256 4.093 4.350 -0.001 0.000 0.193 487 E C 2.010 178.693 176.600 0.139 0.000 0.989 487 E CA 1.409 57.926 56.400 0.194 0.000 0.800 487 E CB -0.051 29.843 29.700 0.324 0.000 0.746 487 E HN 0.573 nan 8.360 nan 0.000 0.452 488 Q N -0.066 119.801 119.800 0.112 0.000 2.084 488 Q HA -0.158 4.182 4.340 -0.001 0.000 0.202 488 Q C 2.338 178.379 176.000 0.069 0.000 0.978 488 Q CA 1.407 57.260 55.803 0.083 0.000 0.844 488 Q CB -0.071 28.707 28.738 0.066 0.000 0.898 488 Q HN 0.199 nan 8.270 nan 0.000 0.426 489 R N 0.040 120.586 120.500 0.077 0.000 2.081 489 R HA -0.076 4.264 4.340 -0.001 0.000 0.235 489 R C 2.250 178.572 176.300 0.036 0.000 1.131 489 R CA 1.439 57.578 56.100 0.065 0.000 0.960 489 R CB -0.162 30.201 30.300 0.105 0.000 0.856 489 R HN 0.298 nan 8.270 nan 0.000 0.436 490 M N -0.072 119.541 119.600 0.021 0.000 2.229 490 M HA -0.153 4.327 4.480 -0.001 0.000 0.264 490 M C 2.280 178.575 176.300 -0.009 0.000 1.063 490 M CA 1.283 56.564 55.300 -0.031 0.000 1.114 490 M CB -0.088 32.439 32.600 -0.121 0.000 1.387 490 M HN 0.033 nan 8.290 nan 0.000 0.420 491 Q N 0.972 120.796 119.800 0.040 0.000 2.084 491 Q HA -0.166 4.173 4.340 -0.001 0.000 0.202 491 Q C 1.718 177.726 176.000 0.014 0.000 0.978 491 Q CA 1.629 57.464 55.803 0.052 0.000 0.844 491 Q CB -0.075 28.714 28.738 0.084 0.000 0.898 491 Q HN 0.312 nan 8.270 nan 0.000 0.426 492 E N -0.127 120.080 120.200 0.012 0.000 2.110 492 E HA -0.110 4.240 4.350 -0.001 0.000 0.193 492 E C 1.817 178.403 176.600 -0.024 0.000 0.988 492 E CA 1.179 57.576 56.400 -0.004 0.000 0.804 492 E CB -0.485 29.218 29.700 0.005 0.000 0.745 492 E HN 0.463 nan 8.360 nan 0.000 0.458 493 A N 1.037 123.841 122.820 -0.027 0.000 1.902 493 A HA -0.120 4.200 4.320 -0.001 0.000 0.217 493 A C 2.394 179.938 177.584 -0.066 0.000 1.181 493 A CA 0.992 53.002 52.037 -0.045 0.000 0.623 493 A CB -0.681 18.292 19.000 -0.045 0.000 0.818 493 A HN 0.189 nan 8.150 nan 0.000 0.443 494 L N -0.686 120.490 121.223 -0.078 0.000 2.046 494 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 494 L C 2.583 179.365 176.870 -0.146 0.000 1.077 494 L CA 1.724 56.480 54.840 -0.140 0.000 0.747 494 L CB -0.384 41.594 42.059 -0.134 0.000 0.896 494 L HN 0.368 nan 8.230 nan 0.000 0.432 495 K N -0.176 120.170 120.400 -0.090 0.000 2.097 495 K HA -0.125 4.195 4.320 -0.001 0.000 0.205 495 K C 2.232 178.789 176.600 -0.072 0.000 1.050 495 K CA 1.238 57.477 56.287 -0.079 0.000 0.938 495 K CB -0.236 32.234 32.500 -0.051 0.000 0.718 495 K HN 0.282 nan 8.250 nan 0.000 0.442 496 A N 1.146 123.927 122.820 -0.065 0.000 1.902 496 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 496 A C 2.424 179.967 177.584 -0.068 0.000 1.181 496 A CA 1.505 53.504 52.037 -0.064 0.000 0.623 496 A CB -1.011 17.952 19.000 -0.061 0.000 0.818 496 A HN 0.404 nan 8.150 nan 0.000 0.443 497 C N -0.896 118.361 119.300 -0.072 0.000 2.432 497 C HA -0.141 4.318 4.460 -0.001 0.000 0.277 497 C C 2.935 177.905 174.990 -0.033 0.000 1.249 497 C CA 1.233 60.220 59.018 -0.050 0.000 1.725 497 C CB -1.464 26.255 27.740 -0.034 0.000 2.028 497 C HN 0.690 nan 8.230 nan 0.000 0.477 498 Q N -0.173 119.576 119.800 -0.085 0.000 2.061 498 Q HA -0.274 4.066 4.340 -0.001 0.000 0.204 498 Q C 2.187 178.210 176.000 0.038 0.000 0.984 498 Q CA 1.866 57.645 55.803 -0.039 0.000 0.846 498 Q CB -0.374 28.302 28.738 -0.104 0.000 0.902 498 Q HN 0.621 nan 8.270 nan 0.000 0.421 499 M N 0.386 119.983 119.600 -0.005 0.000 2.080 499 M HA -0.150 4.330 4.480 -0.001 0.000 0.260 499 M C 1.923 178.228 176.300 0.008 0.000 1.068 499 M CA 1.550 56.855 55.300 0.009 0.000 1.109 499 M CB -0.356 32.230 32.600 -0.025 0.000 1.342 499 M HN 0.019 nan 8.290 nan 0.000 0.405 500 V N 0.154 120.039 119.914 -0.048 0.000 2.307 500 V HA -0.301 3.818 4.120 -0.001 0.000 0.245 500 V C 2.425 178.494 176.094 -0.042 0.000 1.045 500 V CA 2.201 64.426 62.300 -0.125 0.000 1.024 500 V CB -0.691 31.034 31.823 -0.164 0.000 0.651 500 V HN 0.555 nan 8.190 nan 0.000 0.449 501 M N 0.290 119.928 119.600 0.063 0.000 2.080 501 M HA -0.279 4.200 4.480 -0.001 0.000 0.260 501 M C 2.386 178.785 176.300 0.165 0.000 1.068 501 M CA 2.513 57.912 55.300 0.165 0.000 1.109 501 M CB -0.503 32.319 32.600 0.370 0.000 1.342 501 M HN 0.550 nan 8.290 nan 0.000 0.405 502 Q N -0.287 119.681 119.800 0.280 0.000 2.172 502 Q HA -0.129 4.210 4.340 -0.001 0.000 0.200 502 Q C 1.807 177.996 176.000 0.314 0.000 0.964 502 Q CA 1.141 57.122 55.803 0.297 0.000 0.855 502 Q CB -0.599 28.412 28.738 0.454 0.000 0.918 502 Q HN 0.425 nan 8.270 nan 0.000 0.444 503 Q N 0.563 120.531 119.800 0.280 0.000 2.124 503 Q HA -0.056 4.283 4.340 -0.001 0.000 0.202 503 Q C 2.258 178.516 176.000 0.429 0.000 0.977 503 Q CA 1.654 57.694 55.803 0.396 0.000 0.850 503 Q CB -0.188 28.701 28.738 0.253 0.000 0.901 503 Q HN 0.507 nan 8.270 nan 0.000 0.429 504 S N 0.394 116.241 115.700 0.245 0.000 2.368 504 S HA -0.091 4.379 4.470 -0.001 0.000 0.225 504 S C 2.198 176.863 174.600 0.108 0.000 1.030 504 S CA 1.049 59.442 58.200 0.322 0.000 0.999 504 S CB -0.210 63.107 63.200 0.196 0.000 0.844 504 S HN 0.133 nan 8.310 nan 0.000 0.459 505 V N 0.660 120.510 119.914 -0.107 0.000 2.407 505 V HA -0.182 3.937 4.120 -0.001 0.000 0.248 505 V C 1.982 178.067 176.094 -0.015 0.000 1.055 505 V CA 1.744 63.852 62.300 -0.320 0.000 1.049 505 V CB -0.722 30.494 31.823 -1.012 0.000 0.662 505 V HN 0.531 nan 8.190 nan 0.000 0.455 506 Y N 1.134 121.493 120.300 0.097 0.000 2.181 506 Y HA -0.217 4.332 4.550 -0.001 0.000 0.288 506 Y C 2.735 178.706 175.900 0.118 0.000 1.146 506 Y CA 2.130 60.368 58.100 0.230 0.000 1.164 506 Y CB -0.288 38.226 38.460 0.090 0.000 0.982 506 Y HN 0.095 nan 8.280 nan 0.000 0.515 507 R N -0.193 120.279 120.500 -0.047 0.000 2.075 507 R HA -0.104 4.236 4.340 -0.001 0.000 0.232 507 R C 2.106 178.127 176.300 -0.465 0.000 1.126 507 R CA 1.577 57.300 56.100 -0.630 0.000 0.963 507 R CB -0.383 29.547 30.300 -0.617 0.000 0.858 507 R HN 0.426 nan 8.270 nan 0.000 0.435 508 L N 0.287 121.371 121.223 -0.232 0.000 2.291 508 L HA -0.064 4.276 4.340 -0.001 0.000 0.214 508 L C 1.405 178.168 176.870 -0.178 0.000 1.120 508 L CA 0.765 55.431 54.840 -0.291 0.000 0.799 508 L CB 0.107 41.822 42.059 -0.573 0.000 0.925 508 L HN 0.237 nan 8.230 nan 0.000 0.446 509 L N -1.237 119.969 121.223 -0.029 0.000 3.014 509 L HA 0.225 4.565 4.340 -0.001 0.000 0.263 509 L C -0.202 176.729 176.870 0.102 0.000 1.207 509 L CA -0.094 54.815 54.840 0.115 0.000 1.017 509 L CB 0.512 42.795 42.059 0.373 0.000 1.360 509 L HN -0.006 nan 8.230 nan 0.000 0.560 510 T N 0.110 114.635 114.554 -0.049 0.000 2.829 510 T HA 0.189 4.539 4.350 -0.001 0.000 0.280 510 T C -0.148 174.472 174.700 -0.133 0.000 0.999 510 T CA -0.559 61.488 62.100 -0.089 0.000 0.983 510 T CB 2.411 71.157 68.868 -0.203 0.000 0.968 510 T HN 0.022 nan 8.240 nan 0.000 0.446 511 K N 3.811 124.145 120.400 -0.110 0.000 2.530 511 K HA -0.017 4.302 4.320 -0.001 0.000 0.280 511 K C -1.716 174.852 176.600 -0.054 0.000 1.004 511 K CA -1.007 55.231 56.287 -0.082 0.000 1.071 511 K CB 0.431 32.889 32.500 -0.071 0.000 0.876 511 K HN 0.172 nan 8.250 nan 0.000 0.487 512 P HA -0.205 nan 4.420 nan 0.000 0.216 512 P C 0.717 178.032 177.300 0.024 0.000 1.153 512 P CA 1.534 64.613 63.100 -0.035 0.000 0.858 512 P CB 0.143 31.818 31.700 -0.043 0.000 0.789 513 S N -2.298 113.407 115.700 0.008 0.000 2.607 513 S HA 0.074 4.543 4.470 -0.001 0.000 0.224 513 S C 1.606 176.220 174.600 0.023 0.000 0.969 513 S CA 0.430 58.639 58.200 0.016 0.000 0.927 513 S CB -1.091 62.110 63.200 0.002 0.000 0.772 513 S HN 0.108 nan 8.310 nan 0.000 0.533 514 I N -0.805 119.786 120.570 0.034 0.000 3.790 514 I HA 0.222 4.391 4.170 -0.001 0.000 0.305 514 I C 0.483 176.645 176.117 0.075 0.000 1.253 514 I CA -0.434 60.891 61.300 0.040 0.000 1.355 514 I CB 0.033 38.050 38.000 0.028 0.000 1.137 514 I HN 0.264 nan 8.210 nan 0.000 0.435 515 Y N 2.751 123.004 120.300 -0.078 0.000 2.802 515 Y HA -0.037 4.512 4.550 -0.001 0.000 0.333 515 Y C 0.441 176.319 175.900 -0.035 0.000 1.244 515 Y CA 0.130 58.163 58.100 -0.112 0.000 1.558 515 Y CB 0.424 38.775 38.460 -0.181 0.000 1.233 515 Y HN -0.114 nan 8.280 nan 0.000 0.547 516 S N 8.813 124.291 115.700 -0.371 0.000 2.293 516 S HA 0.341 4.811 4.470 -0.001 0.000 0.154 516 S C -2.832 171.541 174.600 -0.378 0.000 1.602 516 S CA -1.183 56.809 58.200 -0.347 0.000 1.260 516 S CB -0.066 63.059 63.200 -0.125 0.000 1.270 516 S HN 0.679 nan 8.310 nan 0.000 0.416 517 P HA 0.314 nan 4.420 nan 0.000 0.275 517 P C -1.166 175.844 177.300 -0.482 0.000 1.227 517 P CA -0.151 62.657 63.100 -0.487 0.000 0.781 517 P CB 0.857 32.190 31.700 -0.612 0.000 0.906 518 D N 2.320 122.639 120.400 -0.135 0.000 2.392 518 D HA 0.149 4.788 4.640 -0.001 0.000 0.228 518 D C 0.219 176.538 176.300 0.032 0.000 1.074 518 D CA -0.719 53.192 54.000 -0.149 0.000 0.838 518 D CB 0.252 40.994 40.800 -0.096 0.000 1.067 518 D HN 0.053 nan 8.370 nan 0.000 0.511 519 F N 1.679 121.731 119.950 0.170 0.000 2.699 519 F HA -0.036 4.491 4.527 -0.001 0.000 0.298 519 F C 2.375 178.241 175.800 0.111 0.000 1.154 519 F CA 0.518 58.620 58.000 0.170 0.000 1.457 519 F CB -0.360 38.724 39.000 0.140 0.000 1.106 519 F HN 0.375 nan 8.300 nan 0.000 0.585 520 S N -1.814 114.023 115.700 0.229 0.000 2.540 520 S HA 0.130 4.599 4.470 -0.001 0.000 0.218 520 S C 0.279 174.919 174.600 0.066 0.000 0.977 520 S CA -0.424 57.852 58.200 0.126 0.000 0.918 520 S CB -0.646 62.608 63.200 0.090 0.000 0.806 520 S HN 0.095 nan 8.310 nan 0.000 0.496 521 F N 2.595 122.474 119.950 -0.119 0.000 2.377 521 F HA 0.614 5.140 4.527 -0.001 0.000 0.328 521 F C 0.077 175.649 175.800 -0.381 0.000 1.094 521 F CA -0.703 57.096 58.000 -0.334 0.000 1.093 521 F CB 1.652 40.291 39.000 -0.601 0.000 1.214 521 F HN -0.056 nan 8.300 nan 0.000 0.518 522 S N 5.269 120.177 115.700 -1.320 0.000 2.464 522 S HA 0.168 4.637 4.470 -0.001 0.000 0.313 522 S C 0.308 174.257 174.600 -1.085 0.000 1.078 522 S CA -0.325 57.347 58.200 -0.880 0.000 1.096 522 S CB -0.245 62.568 63.200 -0.644 0.000 1.032 522 S HN 0.646 nan 8.310 nan 0.000 0.498 523 Y N 1.726 121.756 120.300 -0.452 0.000 2.337 523 Y HA 0.194 4.744 4.550 -0.001 0.000 0.293 523 Y C 0.315 175.642 175.900 -0.955 0.000 1.123 523 Y CA 0.671 58.376 58.100 -0.657 0.000 1.201 523 Y CB 0.161 38.240 38.460 -0.635 0.000 1.011 523 Y HN 0.492 nan 8.280 nan 0.000 0.545 524 F N -1.408 118.487 119.950 -0.092 0.000 2.599 524 F HA 0.453 4.980 4.527 -0.001 0.000 0.311 524 F C -0.117 175.709 175.800 0.044 0.000 1.076 524 F CA -1.549 56.468 58.000 0.029 0.000 0.937 524 F CB 1.588 40.761 39.000 0.288 0.000 1.282 524 F HN -0.402 nan 8.300 nan 0.000 0.460 525 T N 0.177 114.882 114.554 0.253 0.000 2.855 525 T HA 0.717 5.067 4.350 -0.001 0.000 0.281 525 T C -0.609 174.191 174.700 0.167 0.000 1.007 525 T CA -0.819 61.366 62.100 0.142 0.000 1.009 525 T CB 1.227 70.120 68.868 0.042 0.000 0.983 525 T HN 0.512 nan 8.240 nan 0.000 0.455 526 L N 2.008 123.248 121.223 0.028 0.000 2.397 526 L HA 0.415 4.755 4.340 -0.001 0.000 0.271 526 L C 0.120 176.966 176.870 -0.040 0.000 1.148 526 L CA -0.326 54.443 54.840 -0.118 0.000 0.825 526 L CB 0.708 42.638 42.059 -0.216 0.000 1.117 526 L HN 0.810 nan 8.230 nan 0.000 0.456 527 D N 1.566 121.943 120.400 -0.037 0.000 2.408 527 D HA 0.213 4.852 4.640 -0.001 0.000 0.243 527 D C -1.236 175.007 176.300 -0.095 0.000 1.075 527 D CA -0.380 53.595 54.000 -0.042 0.000 0.832 527 D CB 1.130 41.942 40.800 0.019 0.000 1.162 527 D HN 0.291 nan 8.370 nan 0.000 0.515 528 D N 2.431 122.785 120.400 -0.077 0.000 2.549 528 D HA 0.182 4.822 4.640 -0.001 0.000 0.251 528 D C 0.063 176.308 176.300 -0.092 0.000 1.153 528 D CA -0.463 53.520 54.000 -0.028 0.000 0.861 528 D CB 1.888 42.764 40.800 0.127 0.000 1.207 528 D HN 0.255 nan 8.370 nan 0.000 0.543 529 S N 2.630 118.249 115.700 -0.135 0.000 2.522 529 S HA 0.022 4.492 4.470 -0.001 0.000 0.227 529 S C 1.321 175.878 174.600 -0.072 0.000 0.986 529 S CA 0.534 58.645 58.200 -0.147 0.000 0.929 529 S CB 0.355 63.458 63.200 -0.163 0.000 0.769 529 S HN 0.493 nan 8.310 nan 0.000 0.529 530 R N -0.535 119.956 120.500 -0.015 0.000 2.549 530 R HA 0.222 4.562 4.340 -0.001 0.000 0.344 530 R C -0.712 175.662 176.300 0.123 0.000 0.979 530 R CA -0.115 56.001 56.100 0.026 0.000 1.140 530 R CB 0.805 31.116 30.300 0.019 0.000 1.377 530 R HN 0.340 nan 8.270 nan 0.000 0.541 531 W N 1.384 122.648 121.300 -0.060 0.000 3.405 531 W HA 0.295 4.954 4.660 -0.001 0.000 0.329 531 W C -2.951 173.540 176.519 -0.047 0.000 1.142 531 W CA -1.894 55.415 57.345 -0.060 0.000 1.235 531 W CB 1.808 31.246 29.460 -0.037 0.000 1.341 531 W HN -0.194 nan 8.180 nan 0.000 0.481 532 P HA 0.111 nan 4.420 nan 0.000 0.226 532 P C 0.340 177.252 177.300 -0.647 0.000 1.153 532 P CA 1.695 63.915 63.100 -1.468 0.000 0.777 532 P CB 0.318 31.424 31.700 -0.990 0.000 0.794 533 G N -1.136 107.464 108.800 -0.332 0.000 2.617 533 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.686 533 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.686 533 G C -0.516 174.321 174.900 -0.106 0.000 1.214 533 G CA -0.569 44.431 45.100 -0.165 0.000 0.796 533 G HN 0.052 nan 8.290 nan 0.000 0.654 534 S N 0.170 115.849 115.700 -0.035 0.000 2.525 534 S HA 0.522 4.991 4.470 -0.001 0.000 0.285 534 S C 1.793 176.396 174.600 0.005 0.000 1.283 534 S CA 1.980 60.194 58.200 0.023 0.000 1.072 534 S CB 0.246 63.497 63.200 0.086 0.000 0.867 534 S HN 2.676 nan 8.310 nan 0.000 0.492 535 G N 2.923 111.728 108.800 0.008 0.000 2.199 535 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.254 535 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.254 535 G C 0.617 175.499 174.900 -0.030 0.000 0.982 535 G CA 0.345 45.444 45.100 -0.002 0.000 0.632 535 G HN 0.802 nan 8.290 nan 0.000 0.529 536 V N -0.248 119.627 119.914 -0.065 0.000 2.627 536 V HA 0.430 4.549 4.120 -0.001 0.000 0.239 536 V C 0.841 176.880 176.094 -0.092 0.000 1.077 536 V CA 1.803 64.048 62.300 -0.091 0.000 1.103 536 V CB 0.885 32.614 31.823 -0.157 0.000 0.802 536 V HN 0.493 nan 8.190 nan 0.000 0.482 537 E N 0.227 120.362 120.200 -0.109 0.000 2.304 537 E HA 0.173 4.522 4.350 -0.001 0.000 0.277 537 E C -1.669 174.898 176.600 -0.054 0.000 0.898 537 E CA -0.534 55.814 56.400 -0.087 0.000 0.764 537 E CB 1.765 31.387 29.700 -0.129 0.000 1.216 537 E HN 0.188 nan 8.360 nan 0.000 0.419 538 D N 2.998 123.388 120.400 -0.017 0.000 2.453 538 D HA 0.070 4.709 4.640 -0.001 0.000 0.223 538 D C 0.165 176.468 176.300 0.005 0.000 1.183 538 D CA 0.225 54.235 54.000 0.017 0.000 0.933 538 D CB 0.490 41.307 40.800 0.028 0.000 1.038 538 D HN 0.409 nan 8.370 nan 0.000 0.513 539 S N 2.593 118.286 115.700 -0.011 0.000 2.687 539 S HA 0.198 4.668 4.470 -0.001 0.000 0.247 539 S C 0.842 175.432 174.600 -0.017 0.000 1.050 539 S CA -0.524 57.663 58.200 -0.022 0.000 1.063 539 S CB 0.571 63.739 63.200 -0.052 0.000 1.039 539 S HN 0.229 nan 8.310 nan 0.000 0.580 540 R N 2.776 123.264 120.500 -0.020 0.000 2.543 540 R HA 0.363 4.703 4.340 -0.001 0.000 0.277 540 R C 0.206 176.529 176.300 0.038 0.000 1.074 540 R CA 0.486 56.552 56.100 -0.058 0.000 1.076 540 R CB 0.610 30.751 30.300 -0.265 0.000 0.993 540 R HN 0.502 nan 8.270 nan 0.000 0.459 541 T N -0.719 113.861 114.554 0.044 0.000 2.882 541 T HA 0.209 4.558 4.350 -0.001 0.000 0.287 541 T C 0.198 174.999 174.700 0.169 0.000 0.992 541 T CA -0.751 61.406 62.100 0.094 0.000 1.076 541 T CB 1.462 70.374 68.868 0.073 0.000 0.961 541 T HN 0.354 nan 8.240 nan 0.000 0.490 542 T N 3.944 118.608 114.554 0.184 0.000 2.856 542 T HA 0.387 4.737 4.350 -0.001 0.000 0.292 542 T C 0.471 175.278 174.700 0.178 0.000 0.980 542 T CA -0.519 61.715 62.100 0.222 0.000 1.091 542 T CB 0.224 69.186 68.868 0.156 0.000 0.936 542 T HN 0.585 nan 8.240 nan 0.000 0.503 543 I N 3.951 124.646 120.570 0.209 0.000 2.436 543 I HA 0.208 4.377 4.170 -0.001 0.000 0.289 543 I C 0.155 176.360 176.117 0.148 0.000 1.083 543 I CA -0.081 61.322 61.300 0.171 0.000 1.372 543 I CB 0.270 38.376 38.000 0.176 0.000 1.408 543 I HN 0.451 nan 8.210 nan 0.000 0.516 544 I N 8.076 128.718 120.570 0.120 0.000 2.297 544 I HA 0.317 4.486 4.170 -0.001 0.000 0.291 544 I C -0.190 175.990 176.117 0.105 0.000 1.033 544 I CA -0.188 61.175 61.300 0.105 0.000 1.253 544 I CB 0.543 38.592 38.000 0.081 0.000 1.396 544 I HN 0.383 nan 8.210 nan 0.000 0.476 545 L N 5.823 127.112 121.223 0.110 0.000 2.341 545 L HA 0.954 5.293 4.340 -0.001 0.000 0.267 545 L C 0.111 177.040 176.870 0.099 0.000 1.009 545 L CA -0.684 54.220 54.840 0.108 0.000 0.819 545 L CB 2.207 44.337 42.059 0.118 0.000 1.323 545 L HN 0.693 nan 8.230 nan 0.000 0.425 546 G N 0.012 108.867 108.800 0.090 0.000 2.473 546 G HA2 0.105 4.065 3.960 -0.001 0.000 0.298 546 G HA3 0.105 4.065 3.960 -0.001 0.000 0.298 546 G C -0.254 174.689 174.900 0.072 0.000 1.575 546 G CA -0.477 44.673 45.100 0.082 0.000 0.846 546 G HN 0.677 nan 8.290 nan 0.000 0.585 547 E N -0.248 119.991 120.200 0.066 0.000 2.160 547 E HA -0.128 4.222 4.350 -0.001 0.000 0.195 547 E C 0.655 177.284 176.600 0.048 0.000 0.991 547 E CA 1.267 57.700 56.400 0.055 0.000 0.810 547 E CB 0.181 29.910 29.700 0.047 0.000 0.742 547 E HN 0.433 nan 8.360 nan 0.000 0.466 548 D N -0.299 120.130 120.400 0.047 0.000 2.358 548 D HA 0.112 4.751 4.640 -0.001 0.000 0.224 548 D C 1.090 177.416 176.300 0.044 0.000 1.123 548 D CA 0.143 54.167 54.000 0.041 0.000 0.833 548 D CB 0.876 41.698 40.800 0.036 0.000 0.946 548 D HN 0.321 nan 8.370 nan 0.000 0.505 549 I N -0.955 119.646 120.570 0.052 0.000 4.420 549 I HA 0.114 4.283 4.170 -0.001 0.000 0.292 549 I C -1.415 174.741 176.117 0.064 0.000 1.153 549 I CA 0.053 61.385 61.300 0.054 0.000 1.315 549 I CB 1.229 39.261 38.000 0.054 0.000 1.616 549 I HN -0.168 nan 8.210 nan 0.000 0.450 550 L N 1.362 122.629 121.223 0.073 0.000 2.795 550 L HA 0.470 4.810 4.340 -0.001 0.000 0.260 550 L C -2.607 174.318 176.870 0.091 0.000 0.935 550 L CA -0.804 54.087 54.840 0.086 0.000 0.985 550 L CB 1.585 43.703 42.059 0.098 0.000 1.433 550 L HN -0.196 nan 8.230 nan 0.000 0.447 551 P HA 0.116 nan 4.420 nan 0.000 0.224 551 P C -0.482 176.876 177.300 0.097 0.000 1.157 551 P CA 0.888 64.040 63.100 0.086 0.000 0.799 551 P CB 0.347 32.091 31.700 0.074 0.000 0.809 552 S N -2.679 113.091 115.700 0.117 0.000 2.625 552 S HA 0.750 5.219 4.470 -0.001 0.000 0.271 552 S C -1.320 173.389 174.600 0.181 0.000 1.161 552 S CA -0.745 57.531 58.200 0.128 0.000 0.820 552 S CB 2.319 65.586 63.200 0.112 0.000 1.137 552 S HN -0.164 nan 8.310 nan 0.000 0.470 553 K N 0.477 120.993 120.400 0.193 0.000 2.535 553 K HA 0.423 4.742 4.320 -0.001 0.000 0.251 553 K C -1.758 175.027 176.600 0.308 0.000 0.942 553 K CA -0.277 56.174 56.287 0.272 0.000 0.798 553 K CB 1.177 33.794 32.500 0.194 0.000 1.267 553 K HN 0.869 nan 8.250 nan 0.000 0.434 554 H N 2.043 121.270 119.070 0.261 0.000 2.548 554 H HA 0.467 5.023 4.556 -0.001 0.000 0.331 554 H C -0.243 175.325 175.328 0.401 0.000 1.093 554 H CA -0.615 55.632 56.048 0.332 0.000 1.367 554 H CB 1.431 31.477 29.762 0.473 0.000 1.455 554 H HN 0.455 nan 8.280 nan 0.000 0.519 555 V N 0.903 121.088 119.914 0.451 0.000 2.823 555 V HA 0.636 4.756 4.120 -0.001 0.000 0.312 555 V C -0.541 175.893 176.094 0.567 0.000 1.072 555 V CA -0.797 61.757 62.300 0.423 0.000 0.937 555 V CB 1.892 33.704 31.823 -0.017 0.000 1.013 555 V HN 0.411 nan 8.190 nan 0.000 0.430 556 V N 4.321 124.592 119.914 0.596 0.000 2.709 556 V HA 0.641 4.760 4.120 -0.001 0.000 0.308 556 V C -0.437 176.013 176.094 0.593 0.000 1.062 556 V CA -0.394 62.217 62.300 0.518 0.000 0.901 556 V CB 1.889 33.861 31.823 0.249 0.000 1.003 556 V HN 0.947 nan 8.190 nan 0.000 0.425 557 M N 4.090 124.011 119.600 0.534 0.000 2.336 557 M HA 0.493 4.973 4.480 -0.001 0.000 0.342 557 M C -0.512 176.063 176.300 0.459 0.000 1.128 557 M CA -0.255 55.337 55.300 0.487 0.000 1.016 557 M CB 1.203 34.029 32.600 0.377 0.000 1.665 557 M HN 0.762 nan 8.290 nan 0.000 0.445 558 H N 1.945 121.243 119.070 0.379 0.000 2.492 558 H HA 0.502 5.058 4.556 -0.001 0.000 0.345 558 H C -1.374 174.086 175.328 0.219 0.000 1.136 558 H CA -0.611 55.623 56.048 0.309 0.000 1.202 558 H CB 1.240 31.257 29.762 0.425 0.000 1.524 558 H HN 0.653 nan 8.280 nan 0.000 0.506 559 N N 3.056 121.532 118.700 -0.372 0.000 2.569 559 N HA 0.041 4.781 4.740 -0.001 0.000 0.254 559 N C 0.273 175.447 175.510 -0.560 0.000 1.004 559 N CA -0.309 52.522 53.050 -0.365 0.000 0.904 559 N CB 1.624 40.007 38.487 -0.173 0.000 1.165 559 N HN 0.643 nan 8.380 nan 0.000 0.513 560 T N 2.877 117.141 114.554 -0.483 0.000 3.035 560 T HA 0.171 4.521 4.350 -0.001 0.000 0.268 560 T C 0.708 175.365 174.700 -0.073 0.000 1.109 560 T CA 0.482 62.468 62.100 -0.190 0.000 1.119 560 T CB -0.223 68.673 68.868 0.046 0.000 0.900 560 T HN 0.417 nan 8.240 nan 0.000 0.503 561 L N 2.734 123.861 121.223 -0.160 0.000 2.417 561 L HA 0.310 4.649 4.340 -0.001 0.000 0.268 561 L C -1.583 175.149 176.870 -0.229 0.000 1.158 561 L CA -1.878 52.835 54.840 -0.212 0.000 0.819 561 L CB 0.600 42.386 42.059 -0.455 0.000 1.112 561 L HN -0.036 nan 8.230 nan 0.000 0.458 562 P HA 0.055 nan 4.420 nan 0.000 0.243 562 P C -0.960 176.362 177.300 0.036 0.000 1.668 562 P CA 0.316 63.405 63.100 -0.018 0.000 0.898 562 P CB -0.325 31.416 31.700 0.069 0.000 1.637 563 H N -3.212 115.866 119.070 0.013 0.000 3.012 563 H HA 0.240 4.795 4.556 -0.001 0.000 0.367 563 H C -1.056 174.287 175.328 0.025 0.000 1.211 563 H CA -1.068 55.006 56.048 0.043 0.000 1.139 563 H CB -0.021 29.795 29.762 0.090 0.000 1.838 563 H HN -0.132 nan 8.280 nan 0.000 0.550 564 W N 1.688 123.102 121.300 0.190 0.000 2.231 564 W HA 0.235 4.894 4.660 -0.001 0.000 0.341 564 W C 0.830 177.455 176.519 0.176 0.000 1.298 564 W CA 0.424 57.844 57.345 0.127 0.000 1.266 564 W CB 0.453 29.973 29.460 0.100 0.000 1.172 564 W HN 0.520 nan 8.180 nan 0.000 0.568 565 R N 2.081 122.786 120.500 0.342 0.000 2.621 565 R HA 0.309 4.649 4.340 -0.001 0.000 0.284 565 R C -1.001 175.439 176.300 0.233 0.000 0.998 565 R CA -0.637 55.617 56.100 0.257 0.000 0.895 565 R CB 1.423 31.796 30.300 0.122 0.000 1.195 565 R HN 0.488 nan 8.270 nan 0.000 0.450 566 E N 2.210 122.521 120.200 0.185 0.000 2.202 566 E HA 0.279 4.629 4.350 -0.001 0.000 0.272 566 E C -1.309 175.341 176.600 0.083 0.000 0.951 566 E CA -0.788 55.699 56.400 0.145 0.000 0.813 566 E CB 2.320 32.097 29.700 0.129 0.000 1.151 566 E HN 0.404 nan 8.360 nan 0.000 0.398 567 Q N 2.918 122.742 119.800 0.040 0.000 2.503 567 Q HA 0.213 4.553 4.340 -0.001 0.000 0.268 567 Q C -1.652 174.306 176.000 -0.070 0.000 0.982 567 Q CA -0.533 55.264 55.803 -0.010 0.000 0.907 567 Q CB 1.294 30.017 28.738 -0.025 0.000 1.467 567 Q HN 0.557 nan 8.270 nan 0.000 0.394 568 L N 3.178 124.354 121.223 -0.079 0.000 2.416 568 L HA 0.402 4.741 4.340 -0.001 0.000 0.272 568 L C 0.249 176.981 176.870 -0.229 0.000 1.161 568 L CA -0.337 54.417 54.840 -0.143 0.000 0.845 568 L CB 0.762 42.775 42.059 -0.076 0.000 1.119 568 L HN 0.503 nan 8.230 nan 0.000 0.464 569 V N -0.563 119.108 119.914 -0.406 0.000 2.914 569 V HA 0.714 4.833 4.120 -0.001 0.000 0.314 569 V C -0.967 174.851 176.094 -0.461 0.000 1.084 569 V CA -0.854 61.166 62.300 -0.467 0.000 0.963 569 V CB 2.184 33.679 31.823 -0.547 0.000 1.025 569 V HN 0.808 nan 8.190 nan 0.000 0.432 570 D N 1.254 121.380 120.400 -0.457 0.000 2.732 570 D HA 0.625 5.265 4.640 -0.001 0.000 0.229 570 D C -1.483 174.508 176.300 -0.516 0.000 1.152 570 D CA -0.363 53.481 54.000 -0.260 0.000 0.854 570 D CB 2.494 43.239 40.800 -0.091 0.000 1.590 570 D HN 0.445 nan 8.370 nan 0.000 0.468 571 F N -0.114 119.902 119.950 0.109 0.000 2.599 571 F HA 0.350 4.876 4.527 -0.001 0.000 0.311 571 F C -0.579 175.385 175.800 0.274 0.000 1.076 571 F CA -1.029 57.049 58.000 0.130 0.000 0.937 571 F CB 1.559 40.680 39.000 0.202 0.000 1.282 571 F HN 0.163 nan 8.300 nan 0.000 0.460 572 Y N 2.096 122.559 120.300 0.272 0.000 2.304 572 Y HA 0.573 5.123 4.550 -0.001 0.000 0.328 572 Y C 0.189 176.213 175.900 0.207 0.000 1.123 572 Y CA -1.473 56.734 58.100 0.178 0.000 1.218 572 Y CB 0.993 39.509 38.460 0.094 0.000 1.207 572 Y HN 0.350 nan 8.280 nan 0.000 0.495 573 V N -0.408 119.707 119.914 0.334 0.000 3.040 573 V HA 0.560 4.680 4.120 -0.001 0.000 0.312 573 V C 0.334 176.565 176.094 0.229 0.000 1.115 573 V CA -0.766 61.693 62.300 0.265 0.000 0.998 573 V CB 1.687 33.669 31.823 0.264 0.000 1.042 573 V HN 0.659 nan 8.190 nan 0.000 0.433 574 S N 0.112 115.929 115.700 0.195 0.000 2.593 574 S HA 0.276 4.745 4.470 -0.001 0.000 0.217 574 S C 0.636 175.386 174.600 0.249 0.000 0.966 574 S CA 0.477 58.783 58.200 0.176 0.000 0.914 574 S CB -0.266 63.006 63.200 0.119 0.000 0.776 574 S HN 1.499 nan 8.310 nan 0.000 0.523 575 S N 1.192 117.044 115.700 0.253 0.000 2.541 575 S HA 0.576 5.046 4.470 -0.001 0.000 0.271 575 S C -2.675 171.852 174.600 -0.123 0.000 1.133 575 S CA -1.297 56.940 58.200 0.062 0.000 0.876 575 S CB 1.950 65.188 63.200 0.063 0.000 1.105 575 S HN 0.019 nan 8.310 nan 0.000 0.470 576 P HA 0.213 nan 4.420 nan 0.000 0.245 576 P C -0.248 176.945 177.300 -0.178 0.000 1.206 576 P CA 0.274 63.035 63.100 -0.566 0.000 0.781 576 P CB -0.166 30.906 31.700 -1.047 0.000 0.994 577 F N 0.777 120.745 119.950 0.029 0.000 2.441 577 F HA 0.274 4.800 4.527 -0.001 0.000 0.337 577 F C 0.446 176.294 175.800 0.079 0.000 1.182 577 F CA -1.166 56.879 58.000 0.075 0.000 1.279 577 F CB 0.035 39.042 39.000 0.012 0.000 1.614 577 F HN -0.335 nan 8.300 nan 0.000 0.574 578 V N 0.998 121.056 119.914 0.240 0.000 2.656 578 V HA 0.689 4.808 4.120 -0.001 0.000 0.307 578 V C -0.284 175.881 176.094 0.119 0.000 1.051 578 V CA -0.828 61.567 62.300 0.159 0.000 0.893 578 V CB 2.311 34.221 31.823 0.145 0.000 0.999 578 V HN 0.505 nan 8.190 nan 0.000 0.426 579 S N 2.957 118.705 115.700 0.081 0.000 2.599 579 S HA 0.894 5.364 4.470 -0.001 0.000 0.294 579 S C -1.002 173.583 174.600 -0.026 0.000 1.094 579 S CA -0.799 57.428 58.200 0.045 0.000 0.931 579 S CB 2.082 65.328 63.200 0.076 0.000 1.093 579 S HN 0.442 nan 8.310 nan 0.000 0.488 580 V N 1.823 121.682 119.914 -0.091 0.000 2.628 580 V HA 0.822 4.941 4.120 -0.001 0.000 0.306 580 V C 0.048 176.053 176.094 -0.147 0.000 1.045 580 V CA -0.444 61.723 62.300 -0.222 0.000 0.905 580 V CB 1.625 33.115 31.823 -0.554 0.000 0.997 580 V HN 1.214 nan 8.190 nan 0.000 0.436 581 T N -0.536 113.951 114.554 -0.112 0.000 2.896 581 T HA 0.644 4.993 4.350 -0.001 0.000 0.297 581 T C -0.878 173.802 174.700 -0.033 0.000 1.108 581 T CA -0.914 61.144 62.100 -0.070 0.000 1.004 581 T CB 2.083 70.900 68.868 -0.085 0.000 1.159 581 T HN 0.719 nan 8.240 nan 0.000 0.499 582 D N 0.569 120.918 120.400 -0.085 0.000 2.478 582 D HA 0.239 4.879 4.640 -0.001 0.000 0.269 582 D C 0.877 177.026 176.300 -0.252 0.000 1.232 582 D CA -1.173 52.648 54.000 -0.299 0.000 1.059 582 D CB 0.279 40.911 40.800 -0.280 0.000 1.104 582 D HN 0.310 nan 8.370 nan 0.000 0.566 583 L N -0.620 120.438 121.223 -0.275 0.000 2.599 583 L HA 0.273 4.613 4.340 -0.001 0.000 0.230 583 L C 1.722 178.510 176.870 -0.136 0.000 1.141 583 L CA 0.649 55.374 54.840 -0.191 0.000 0.877 583 L CB -1.012 40.944 42.059 -0.172 0.000 1.009 583 L HN 0.634 nan 8.230 nan 0.000 0.447 584 A N -1.160 121.585 122.820 -0.124 0.000 2.337 584 A HA 0.146 4.465 4.320 -0.001 0.000 0.227 584 A C 1.182 178.718 177.584 -0.081 0.000 1.259 584 A CA 0.409 52.392 52.037 -0.089 0.000 0.870 584 A CB -0.556 18.398 19.000 -0.075 0.000 0.927 584 A HN 0.487 nan 8.150 nan 0.000 0.497 585 N N -0.393 118.251 118.700 -0.093 0.000 2.850 585 N HA -0.139 4.600 4.740 -0.001 0.000 0.249 585 N C -0.968 174.497 175.510 -0.075 0.000 1.060 585 N CA 0.875 53.878 53.050 -0.078 0.000 0.825 585 N CB -1.787 36.665 38.487 -0.058 0.000 1.132 585 N HN 0.549 nan 8.380 nan 0.000 0.564 586 N N 1.394 120.046 118.700 -0.080 0.000 2.497 586 N HA 0.220 4.960 4.740 -0.001 0.000 0.271 586 N C -2.472 172.972 175.510 -0.109 0.000 1.142 586 N CA -0.710 52.290 53.050 -0.083 0.000 0.965 586 N CB 0.574 39.022 38.487 -0.065 0.000 1.077 586 N HN 0.279 nan 8.380 nan 0.000 0.462 587 P HA 0.073 nan 4.420 nan 0.000 0.271 587 P C -0.503 176.664 177.300 -0.222 0.000 1.218 587 P CA -0.122 62.807 63.100 -0.285 0.000 0.780 587 P CB 0.890 32.173 31.700 -0.695 0.000 0.901 588 V N 2.373 122.203 119.914 -0.139 0.000 2.588 588 V HA 0.225 4.345 4.120 -0.001 0.000 0.304 588 V C 0.509 176.600 176.094 -0.005 0.000 1.042 588 V CA -0.860 61.419 62.300 -0.035 0.000 0.877 588 V CB 1.520 33.348 31.823 0.008 0.000 0.996 588 V HN 0.579 nan 8.190 nan 0.000 0.425 589 E N 2.807 123.044 120.200 0.060 0.000 2.414 589 E HA 0.481 4.830 4.350 -0.001 0.000 0.263 589 E C -0.244 176.430 176.600 0.122 0.000 1.000 589 E CA 0.105 56.571 56.400 0.110 0.000 0.914 589 E CB 0.917 30.685 29.700 0.114 0.000 0.948 589 E HN 0.892 nan 8.360 nan 0.000 0.444 590 A N 4.195 127.077 122.820 0.103 0.000 2.527 590 A HA 0.428 4.748 4.320 -0.001 0.000 0.293 590 A C -1.344 176.265 177.584 0.041 0.000 1.117 590 A CA -0.711 51.397 52.037 0.120 0.000 0.723 590 A CB 1.976 21.042 19.000 0.110 0.000 1.313 590 A HN 0.659 nan 8.150 nan 0.000 0.411 591 Q N 0.738 120.570 119.800 0.054 0.000 2.347 591 Q HA 0.659 4.999 4.340 -0.001 0.000 0.271 591 Q C -2.049 173.954 176.000 0.004 0.000 1.064 591 Q CA -0.548 55.245 55.803 -0.017 0.000 0.800 591 Q CB 2.220 30.984 28.738 0.042 0.000 1.304 591 Q HN 0.585 nan 8.270 nan 0.000 0.438 592 V N 2.516 122.368 119.914 -0.102 0.000 2.513 592 V HA 0.610 4.729 4.120 -0.001 0.000 0.299 592 V C -0.588 175.684 176.094 0.296 0.000 1.035 592 V CA -0.305 62.043 62.300 0.080 0.000 0.889 592 V CB 1.927 33.762 31.823 0.020 0.000 0.988 592 V HN 0.865 nan 8.190 nan 0.000 0.440 593 S N 4.852 120.759 115.700 0.345 0.000 2.632 593 S HA 0.700 5.169 4.470 -0.001 0.000 0.289 593 S C -2.800 171.866 174.600 0.110 0.000 1.115 593 S CA -1.155 57.230 58.200 0.308 0.000 0.889 593 S CB 2.485 65.812 63.200 0.212 0.000 1.116 593 S HN 0.530 nan 8.310 nan 0.000 0.486 594 P HA 0.313 nan 4.420 nan 0.000 0.274 594 P C -1.209 175.766 177.300 -0.542 0.000 1.256 594 P CA -0.536 62.184 63.100 -0.635 0.000 0.795 594 P CB 0.407 31.325 31.700 -1.303 0.000 1.038 595 V N 1.392 120.903 119.914 -0.671 0.000 2.333 595 V HA 0.223 4.343 4.120 -0.001 0.000 0.274 595 V C -0.670 175.105 176.094 -0.532 0.000 1.028 595 V CA -0.220 61.774 62.300 -0.510 0.000 0.851 595 V CB -0.201 31.231 31.823 -0.651 0.000 1.000 595 V HN 0.515 nan 8.190 nan 0.000 0.456 596 W N 3.047 124.248 121.300 -0.166 0.000 2.433 596 W HA 0.653 5.312 4.660 -0.001 0.000 0.315 596 W C 0.378 176.796 176.519 -0.168 0.000 1.087 596 W CA -0.263 56.963 57.345 -0.199 0.000 1.205 596 W CB 1.758 31.107 29.460 -0.186 0.000 1.288 596 W HN 0.408 nan 8.180 nan 0.000 0.504 597 S N 1.567 117.266 115.700 -0.001 0.000 2.542 597 S HA 0.476 4.946 4.470 -0.001 0.000 0.293 597 S C -1.559 172.786 174.600 -0.425 0.000 1.089 597 S CA -0.769 57.363 58.200 -0.113 0.000 0.961 597 S CB 1.169 64.296 63.200 -0.121 0.000 1.062 597 S HN 0.353 nan 8.310 nan 0.000 0.483 598 W N 2.290 123.337 121.300 -0.421 0.000 2.469 598 W HA 0.522 5.182 4.660 -0.001 0.000 0.320 598 W C 0.214 176.358 176.519 -0.625 0.000 1.086 598 W CA -0.274 56.828 57.345 -0.406 0.000 1.211 598 W CB 0.775 30.121 29.460 -0.190 0.000 1.298 598 W HN 0.539 nan 8.180 nan 0.000 0.525 599 H N 1.336 120.454 119.070 0.080 0.000 2.717 599 H HA 0.125 4.681 4.556 -0.001 0.000 0.366 599 H C -1.048 174.366 175.328 0.143 0.000 1.132 599 H CA -1.009 55.066 56.048 0.045 0.000 1.180 599 H CB 1.825 31.524 29.762 -0.106 0.000 1.678 599 H HN 0.393 nan 8.280 nan 0.000 0.537 600 H N 2.093 121.289 119.070 0.210 0.000 2.761 600 H HA 0.068 4.624 4.556 -0.001 0.000 0.284 600 H C -0.519 174.919 175.328 0.183 0.000 1.105 600 H CA -0.378 55.778 56.048 0.181 0.000 1.352 600 H CB 0.201 30.032 29.762 0.116 0.000 1.423 600 H HN 0.410 nan 8.280 nan 0.000 0.464 601 D N 3.652 123.963 120.400 -0.149 0.000 2.344 601 D HA -0.042 4.597 4.640 -0.001 0.000 0.253 601 D C 1.034 177.100 176.300 -0.389 0.000 1.255 601 D CA 0.296 54.230 54.000 -0.111 0.000 0.894 601 D CB 0.798 41.683 40.800 0.141 0.000 1.067 601 D HN 0.797 nan 8.370 nan 0.000 0.492 602 T N 1.535 115.914 114.554 -0.292 0.000 2.995 602 T HA -0.108 4.241 4.350 -0.001 0.000 0.269 602 T C 1.956 176.600 174.700 -0.094 0.000 1.091 602 T CA 0.092 62.073 62.100 -0.197 0.000 1.128 602 T CB 0.143 68.974 68.868 -0.061 0.000 0.891 602 T HN 0.239 nan 8.240 nan 0.000 0.492 603 L N 2.566 123.744 121.223 -0.075 0.000 2.005 603 L HA 0.027 4.367 4.340 -0.001 0.000 0.207 603 L C 2.997 179.838 176.870 -0.048 0.000 1.072 603 L CA 2.378 57.190 54.840 -0.046 0.000 0.744 603 L CB -1.984 40.053 42.059 -0.036 0.000 0.895 603 L HN 0.595 nan 8.230 nan 0.000 0.433 604 T N -4.438 110.076 114.554 -0.066 0.000 3.081 604 T HA 0.021 4.371 4.350 -0.001 0.000 0.250 604 T C 0.746 175.422 174.700 -0.040 0.000 1.100 604 T CA -0.264 61.797 62.100 -0.065 0.000 1.038 604 T CB 0.130 68.930 68.868 -0.113 0.000 0.962 604 T HN 0.085 nan 8.240 nan 0.000 0.516 605 K N 2.134 122.503 120.400 -0.051 0.000 3.096 605 K HA -0.121 4.198 4.320 -0.001 0.000 0.266 605 K C 0.061 176.722 176.600 0.102 0.000 1.043 605 K CA 1.264 57.572 56.287 0.035 0.000 0.758 605 K CB -2.798 29.745 32.500 0.072 0.000 1.260 605 K HN 0.890 nan 8.250 nan 0.000 0.481 606 T N -2.882 111.712 114.554 0.066 0.000 2.896 606 T HA 0.796 5.145 4.350 -0.001 0.000 0.297 606 T C 0.235 175.116 174.700 0.301 0.000 1.108 606 T CA -1.054 61.137 62.100 0.152 0.000 1.004 606 T CB 2.274 71.165 68.868 0.040 0.000 1.159 606 T HN 0.137 nan 8.240 nan 0.000 0.499 607 I N 4.021 124.810 120.570 0.366 0.000 2.330 607 I HA 0.454 4.624 4.170 -0.001 0.000 0.289 607 I C -0.052 176.406 176.117 0.567 0.000 1.001 607 I CA -0.728 60.847 61.300 0.459 0.000 1.193 607 I CB 0.640 38.846 38.000 0.344 0.000 1.345 607 I HN 0.789 nan 8.210 nan 0.000 0.461 608 H N 6.626 125.865 119.070 0.282 0.000 3.008 608 H HA 0.608 5.163 4.556 -0.001 0.000 0.354 608 H C -3.304 171.808 175.328 -0.359 0.000 1.252 608 H CA -2.800 53.257 56.048 0.016 0.000 1.117 608 H CB 1.730 31.492 29.762 0.000 0.000 1.857 608 H HN 0.169 nan 8.280 nan 0.000 0.547 609 P HA 0.247 nan 4.420 nan 0.000 0.290 609 P C -0.796 176.302 177.300 -0.338 0.000 1.275 609 P CA -0.586 61.883 63.100 -1.051 0.000 0.841 609 P CB 2.072 32.822 31.700 -1.585 0.000 1.042 610 Q N 0.939 120.674 119.800 -0.108 0.000 2.353 610 Q HA 0.573 4.912 4.340 -0.001 0.000 0.268 610 Q C 0.113 176.156 176.000 0.072 0.000 1.045 610 Q CA -0.552 55.297 55.803 0.076 0.000 0.811 610 Q CB 2.879 31.678 28.738 0.102 0.000 1.305 610 Q HN 0.601 nan 8.270 nan 0.000 0.447 611 G N 0.619 109.345 108.800 -0.124 0.000 2.389 611 G HA2 0.356 4.316 3.960 -0.001 0.000 0.328 611 G HA3 0.356 4.316 3.960 -0.001 0.000 0.328 611 G C -0.395 174.236 174.900 -0.447 0.000 1.133 611 G CA -0.328 44.374 45.100 -0.664 0.000 0.891 611 G HN 0.423 nan 8.290 nan 0.000 0.485 612 S N -0.705 114.675 115.700 -0.533 0.000 2.576 612 S HA 0.336 4.805 4.470 -0.001 0.000 0.276 612 S C 1.531 175.874 174.600 -0.429 0.000 1.339 612 S CA 0.267 58.203 58.200 -0.441 0.000 1.039 612 S CB 0.756 63.635 63.200 -0.536 0.000 0.902 612 S HN 0.903 nan 8.310 nan 0.000 0.516 613 T N -0.262 114.121 114.554 -0.285 0.000 3.054 613 T HA 0.160 4.509 4.350 -0.001 0.000 0.255 613 T C 1.069 175.681 174.700 -0.147 0.000 1.035 613 T CA 0.421 62.422 62.100 -0.165 0.000 0.941 613 T CB -0.167 68.655 68.868 -0.075 0.000 1.026 613 T HN 0.685 nan 8.240 nan 0.000 0.533 614 T N -1.207 113.166 114.554 -0.301 0.000 2.986 614 T HA 0.329 4.678 4.350 -0.001 0.000 0.264 614 T C 0.223 174.709 174.700 -0.357 0.000 0.964 614 T CA -0.536 61.438 62.100 -0.210 0.000 0.895 614 T CB 0.087 68.881 68.868 -0.123 0.000 1.163 614 T HN 0.643 nan 8.240 nan 0.000 0.517 615 K N -0.033 119.915 120.400 -0.753 0.000 2.477 615 K HA 0.686 5.005 4.320 -0.001 0.000 0.255 615 K C -2.038 173.836 176.600 -1.210 0.000 0.952 615 K CA -1.032 54.838 56.287 -0.696 0.000 0.826 615 K CB 1.800 34.054 32.500 -0.411 0.000 1.331 615 K HN 0.114 nan 8.250 nan 0.000 0.437 616 Y N -0.266 119.948 120.300 -0.145 0.000 2.609 616 Y HA 0.459 5.009 4.550 -0.001 0.000 0.342 616 Y C -0.450 175.457 175.900 0.012 0.000 1.058 616 Y CA -1.173 56.870 58.100 -0.094 0.000 1.055 616 Y CB 2.247 40.724 38.460 0.029 0.000 1.292 616 Y HN 0.358 nan 8.280 nan 0.000 0.476 617 R N 1.712 122.335 120.500 0.205 0.000 2.294 617 R HA 0.581 4.921 4.340 -0.001 0.000 0.319 617 R C -1.228 175.246 176.300 0.290 0.000 0.984 617 R CA -0.640 55.633 56.100 0.288 0.000 0.861 617 R CB 1.678 32.125 30.300 0.245 0.000 1.104 617 R HN 0.650 nan 8.270 nan 0.000 0.451 618 I N 4.192 124.958 120.570 0.326 0.000 2.412 618 I HA 0.428 4.597 4.170 -0.001 0.000 0.296 618 I C -1.045 175.268 176.117 0.327 0.000 0.987 618 I CA -0.801 60.685 61.300 0.310 0.000 1.180 618 I CB 1.062 39.258 38.000 0.327 0.000 1.340 618 I HN 0.535 nan 8.210 nan 0.000 0.455 619 I N 7.998 128.730 120.570 0.271 0.000 2.545 619 I HA 0.532 4.701 4.170 -0.001 0.000 0.292 619 I C -1.056 175.221 176.117 0.266 0.000 1.040 619 I CA -0.488 60.916 61.300 0.174 0.000 1.068 619 I CB 1.802 39.862 38.000 0.099 0.000 1.251 619 I HN 0.514 nan 8.210 nan 0.000 0.424 620 F N 2.531 122.508 119.950 0.045 0.000 2.713 620 F HA 0.570 5.096 4.527 -0.001 0.000 0.311 620 F C -1.148 174.637 175.800 -0.025 0.000 1.141 620 F CA -1.285 56.720 58.000 0.008 0.000 0.939 620 F CB 1.267 40.261 39.000 -0.011 0.000 1.325 620 F HN 0.208 nan 8.300 nan 0.000 0.453 621 K N 1.896 122.393 120.400 0.162 0.000 2.276 621 K HA 0.741 5.060 4.320 -0.001 0.000 0.285 621 K C -0.717 175.934 176.600 0.086 0.000 1.062 621 K CA -0.348 55.969 56.287 0.051 0.000 0.918 621 K CB 0.946 33.507 32.500 0.102 0.000 1.055 621 K HN 0.929 nan 8.250 nan 0.000 0.477 622 A N 4.747 127.522 122.820 -0.074 0.000 2.290 622 A HA 0.377 4.696 4.320 -0.001 0.000 0.310 622 A C -0.661 177.058 177.584 0.225 0.000 1.202 622 A CA -0.695 51.359 52.037 0.029 0.000 0.837 622 A CB 0.631 19.602 19.000 -0.048 0.000 1.139 622 A HN 0.872 nan 8.150 nan 0.000 0.509 623 R N 2.555 123.301 120.500 0.411 0.000 2.310 623 R HA 0.591 4.930 4.340 -0.001 0.000 0.324 623 R C -1.759 174.813 176.300 0.453 0.000 0.955 623 R CA -0.209 56.126 56.100 0.392 0.000 0.830 623 R CB 1.031 31.540 30.300 0.348 0.000 1.154 623 R HN 0.481 nan 8.270 nan 0.000 0.458 624 V N 6.399 126.535 119.914 0.370 0.000 2.656 624 V HA 0.454 4.573 4.120 -0.001 0.000 0.307 624 V C -2.236 173.778 176.094 -0.132 0.000 1.051 624 V CA -2.375 60.036 62.300 0.184 0.000 0.893 624 V CB 1.844 33.747 31.823 0.133 0.000 0.999 624 V HN 0.790 nan 8.190 nan 0.000 0.426 625 P HA 0.239 nan 4.420 nan 0.000 0.271 625 P C -2.755 174.068 177.300 -0.795 0.000 1.233 625 P CA -1.521 60.707 63.100 -1.452 0.000 0.789 625 P CB -0.252 30.777 31.700 -1.119 0.000 0.951 626 P HA 0.086 nan 4.420 nan 0.000 0.264 626 P C 0.149 177.404 177.300 -0.076 0.000 1.193 626 P CA 0.624 63.528 63.100 -0.327 0.000 0.763 626 P CB -0.246 31.327 31.700 -0.212 0.000 0.810 627 M N 0.390 119.989 119.600 -0.002 0.000 2.253 627 M HA -0.218 4.261 4.480 -0.001 0.000 0.199 627 M C 0.584 177.089 176.300 0.340 0.000 0.342 627 M CA 0.970 56.409 55.300 0.231 0.000 0.417 627 M CB -2.018 30.802 32.600 0.366 0.000 1.338 627 M HN 0.586 nan 8.290 nan 0.000 0.920 628 G N -0.205 108.654 108.800 0.098 0.000 3.086 628 G HA2 0.935 4.894 3.960 -0.001 0.000 0.282 628 G HA3 0.935 4.894 3.960 -0.001 0.000 0.282 628 G C -1.341 173.700 174.900 0.236 0.000 1.343 628 G CA -0.972 44.171 45.100 0.071 0.000 0.895 628 G HN 0.185 nan 8.290 nan 0.000 0.557 629 L N -0.444 120.900 121.223 0.202 0.000 2.388 629 L HA 0.793 5.132 4.340 -0.001 0.000 0.264 629 L C -0.247 176.726 176.870 0.173 0.000 0.998 629 L CA -1.023 53.962 54.840 0.241 0.000 0.817 629 L CB 2.444 44.649 42.059 0.243 0.000 1.338 629 L HN 0.759 nan 8.230 nan 0.000 0.414 630 A N 0.899 123.861 122.820 0.237 0.000 2.422 630 A HA 0.829 5.148 4.320 -0.001 0.000 0.302 630 A C -0.771 176.975 177.584 0.270 0.000 1.041 630 A CA -0.455 51.710 52.037 0.213 0.000 0.708 630 A CB 1.787 20.967 19.000 0.299 0.000 1.257 630 A HN 0.561 nan 8.150 nan 0.000 0.414 631 T N 1.996 116.602 114.554 0.087 0.000 2.824 631 T HA 0.653 5.002 4.350 -0.001 0.000 0.280 631 T C -1.113 173.505 174.700 -0.137 0.000 0.995 631 T CA 0.223 62.413 62.100 0.150 0.000 1.009 631 T CB 0.385 69.333 68.868 0.133 0.000 0.955 631 T HN 0.436 nan 8.240 nan 0.000 0.452 632 Y N 0.313 120.701 120.300 0.147 0.000 2.605 632 Y HA 0.671 5.221 4.550 -0.001 0.000 0.343 632 Y C -0.339 175.487 175.900 -0.122 0.000 1.036 632 Y CA -1.145 56.957 58.100 0.003 0.000 1.065 632 Y CB 1.714 40.199 38.460 0.042 0.000 1.288 632 Y HN 0.305 nan 8.280 nan 0.000 0.481 633 V N 3.202 123.077 119.914 -0.065 0.000 2.588 633 V HA 0.440 4.559 4.120 -0.001 0.000 0.304 633 V C -0.776 175.261 176.094 -0.096 0.000 1.042 633 V CA -0.958 61.243 62.300 -0.166 0.000 0.877 633 V CB 1.787 33.440 31.823 -0.282 0.000 0.996 633 V HN 0.497 nan 8.190 nan 0.000 0.425 634 L N 3.869 125.066 121.223 -0.044 0.000 2.296 634 L HA 0.684 5.023 4.340 -0.001 0.000 0.286 634 L C -0.124 176.764 176.870 0.030 0.000 1.023 634 L CA -0.119 54.709 54.840 -0.020 0.000 0.812 634 L CB 1.837 43.900 42.059 0.005 0.000 1.223 634 L HN 0.613 nan 8.230 nan 0.000 0.421 635 T N 3.692 118.267 114.554 0.035 0.000 2.861 635 T HA 0.475 4.824 4.350 -0.001 0.000 0.287 635 T C -0.280 174.470 174.700 0.083 0.000 1.003 635 T CA -0.381 61.754 62.100 0.058 0.000 0.977 635 T CB 2.462 71.354 68.868 0.039 0.000 0.996 635 T HN 0.388 nan 8.240 nan 0.000 0.448 636 I N 2.947 123.575 120.570 0.096 0.000 2.612 636 I HA 0.594 4.764 4.170 -0.001 0.000 0.295 636 I C 0.173 176.354 176.117 0.107 0.000 1.011 636 I CA 0.051 61.424 61.300 0.121 0.000 1.326 636 I CB 0.861 38.936 38.000 0.125 0.000 1.427 636 I HN 0.827 nan 8.210 nan 0.000 0.537 637 S N 3.672 119.451 115.700 0.131 0.000 2.661 637 S HA 0.303 4.772 4.470 -0.001 0.000 0.285 637 S C 0.291 174.918 174.600 0.045 0.000 1.138 637 S CA -0.516 57.724 58.200 0.067 0.000 0.855 637 S CB 1.517 64.739 63.200 0.037 0.000 1.136 637 S HN 0.750 nan 8.310 nan 0.000 0.484 638 D N 0.449 120.820 120.400 -0.049 0.000 2.224 638 D HA -0.010 4.629 4.640 -0.001 0.000 0.205 638 D C 0.863 176.901 176.300 -0.437 0.000 0.965 638 D CA 1.129 55.061 54.000 -0.112 0.000 0.852 638 D CB -0.137 40.607 40.800 -0.093 0.000 0.947 638 D HN 0.630 nan 8.370 nan 0.000 0.494 639 S N -1.217 114.135 115.700 -0.580 0.000 2.720 639 S HA 0.385 4.854 4.470 -0.001 0.000 0.287 639 S C -0.643 173.511 174.600 -0.744 0.000 1.168 639 S CA -1.147 56.424 58.200 -1.048 0.000 0.832 639 S CB 1.737 64.610 63.200 -0.545 0.000 1.166 639 S HN -0.039 nan 8.310 nan 0.000 0.493 640 K N 2.418 122.479 120.400 -0.565 0.000 2.437 640 K HA 0.155 4.474 4.320 -0.001 0.000 0.277 640 K C -2.160 174.460 176.600 0.033 0.000 1.073 640 K CA -0.519 55.770 56.287 0.004 0.000 1.105 640 K CB -0.475 32.065 32.500 0.066 0.000 0.881 640 K HN 0.440 nan 8.250 nan 0.000 0.475 641 P HA 0.019 nan 4.420 nan 0.000 0.276 641 P C 0.318 177.639 177.300 0.034 0.000 1.244 641 P CA -0.312 62.830 63.100 0.070 0.000 0.801 641 P CB 0.950 32.716 31.700 0.109 0.000 1.006 642 E N 0.724 120.902 120.200 -0.038 0.000 2.118 642 E HA -0.217 4.132 4.350 -0.001 0.000 0.195 642 E C 0.633 177.039 176.600 -0.323 0.000 0.992 642 E CA 1.122 57.401 56.400 -0.201 0.000 0.804 642 E CB -0.054 29.456 29.700 -0.318 0.000 0.741 642 E HN 0.461 nan 8.360 nan 0.000 0.458 643 H N -0.643 118.439 119.070 0.021 0.000 2.505 643 H HA 0.220 4.776 4.556 -0.001 0.000 0.289 643 H C -0.396 174.930 175.328 -0.004 0.000 1.052 643 H CA 0.200 56.255 56.048 0.012 0.000 1.156 643 H CB 0.751 30.518 29.762 0.009 0.000 1.507 643 H HN -0.045 nan 8.280 nan 0.000 0.548 644 T N 1.454 116.035 114.554 0.045 0.000 2.824 644 T HA 0.331 4.681 4.350 -0.001 0.000 0.282 644 T C 0.289 174.876 174.700 -0.189 0.000 0.993 644 T CA -0.698 61.363 62.100 -0.066 0.000 0.967 644 T CB 2.170 70.998 68.868 -0.067 0.000 0.960 644 T HN 0.263 nan 8.240 nan 0.000 0.441 645 S N 2.225 117.761 115.700 -0.273 0.000 2.704 645 S HA 0.792 5.261 4.470 -0.001 0.000 0.305 645 S C -1.455 172.787 174.600 -0.597 0.000 1.107 645 S CA -0.836 57.214 58.200 -0.250 0.000 0.993 645 S CB 0.926 64.095 63.200 -0.053 0.000 1.110 645 S HN 0.576 nan 8.310 nan 0.000 0.534 646 Y N 0.031 120.342 120.300 0.018 0.000 2.391 646 Y HA 0.654 5.203 4.550 -0.001 0.000 0.341 646 Y C 0.570 176.528 175.900 0.096 0.000 0.965 646 Y CA -0.791 57.308 58.100 -0.001 0.000 1.067 646 Y CB 1.676 40.004 38.460 -0.220 0.000 1.199 646 Y HN 1.038 nan 8.280 nan 0.000 0.450 647 A N 2.059 125.065 122.820 0.311 0.000 2.445 647 A HA 0.486 4.805 4.320 -0.001 0.000 0.242 647 A C 0.333 178.115 177.584 0.330 0.000 1.075 647 A CA -0.262 51.945 52.037 0.284 0.000 0.777 647 A CB -0.060 19.103 19.000 0.273 0.000 1.013 647 A HN 0.773 nan 8.150 nan 0.000 0.493 648 S N 1.929 117.759 115.700 0.217 0.000 2.652 648 S HA 0.552 5.021 4.470 -0.001 0.000 0.270 648 S C -0.338 174.360 174.600 0.164 0.000 1.243 648 S CA -0.870 57.444 58.200 0.190 0.000 0.999 648 S CB 0.759 64.028 63.200 0.115 0.000 0.973 648 S HN 0.693 nan 8.310 nan 0.000 0.544 649 N N 0.411 119.184 118.700 0.121 0.000 2.336 649 N HA 0.466 5.206 4.740 -0.001 0.000 0.290 649 N C -2.026 173.431 175.510 -0.088 0.000 1.058 649 N CA -0.505 52.575 53.050 0.050 0.000 0.865 649 N CB 2.015 40.620 38.487 0.198 0.000 1.581 649 N HN 0.605 nan 8.380 nan 0.000 0.480 650 L N 2.657 123.783 121.223 -0.161 0.000 2.406 650 L HA 0.501 4.841 4.340 -0.001 0.000 0.272 650 L C -1.546 175.165 176.870 -0.264 0.000 0.980 650 L CA -0.564 54.150 54.840 -0.210 0.000 0.831 650 L CB 1.510 43.502 42.059 -0.112 0.000 1.253 650 L HN 0.426 nan 8.230 nan 0.000 0.406 651 L N 6.717 127.730 121.223 -0.349 0.000 2.265 651 L HA 0.477 4.817 4.340 -0.001 0.000 0.289 651 L C -1.270 175.566 176.870 -0.057 0.000 1.033 651 L CA -0.383 54.311 54.840 -0.243 0.000 0.814 651 L CB 1.218 43.115 42.059 -0.270 0.000 1.203 651 L HN 0.694 nan 8.230 nan 0.000 0.423 652 L N 6.935 128.148 121.223 -0.017 0.000 2.276 652 L HA 0.571 4.910 4.340 -0.001 0.000 0.286 652 L C -0.369 176.541 176.870 0.067 0.000 1.024 652 L CA -0.555 54.307 54.840 0.036 0.000 0.826 652 L CB 1.156 43.228 42.059 0.022 0.000 1.211 652 L HN 0.671 nan 8.230 nan 0.000 0.422 653 R N 1.932 122.484 120.500 0.087 0.000 2.739 653 R HA 0.413 4.752 4.340 -0.001 0.000 0.266 653 R C -1.719 174.622 176.300 0.068 0.000 1.044 653 R CA -1.009 55.138 56.100 0.078 0.000 0.885 653 R CB 1.102 31.451 30.300 0.082 0.000 1.260 653 R HN 0.188 nan 8.270 nan 0.000 0.477 654 K N 1.404 121.831 120.400 0.046 0.000 2.126 654 K HA 0.190 4.509 4.320 -0.001 0.000 0.257 654 K C -0.149 176.457 176.600 0.011 0.000 1.007 654 K CA -0.298 56.007 56.287 0.030 0.000 0.928 654 K CB 0.495 33.008 32.500 0.023 0.000 1.013 654 K HN 0.832 nan 8.250 nan 0.000 0.473 655 N N 1.324 120.019 118.700 -0.008 0.000 2.727 655 N HA -0.114 4.626 4.740 -0.001 0.000 0.251 655 N C -2.433 173.045 175.510 -0.054 0.000 1.040 655 N CA -0.359 52.670 53.050 -0.036 0.000 0.712 655 N CB -0.310 38.157 38.487 -0.033 0.000 0.912 655 N HN 0.391 nan 8.380 nan 0.000 0.545 656 P HA 0.253 nan 4.420 nan 0.000 0.278 656 P C -0.306 176.855 177.300 -0.232 0.000 1.258 656 P CA 0.025 63.062 63.100 -0.106 0.000 0.811 656 P CB 1.266 32.910 31.700 -0.093 0.000 1.063 657 T N -3.012 111.415 114.554 -0.210 0.000 2.916 657 T HA 0.489 4.838 4.350 -0.001 0.000 0.292 657 T C 0.250 174.808 174.700 -0.238 0.000 1.064 657 T CA -0.754 61.222 62.100 -0.207 0.000 1.011 657 T CB 0.639 69.455 68.868 -0.088 0.000 1.152 657 T HN 0.481 nan 8.240 nan 0.000 0.510 658 S N 0.689 116.287 115.700 -0.171 0.000 2.573 658 S HA 0.405 4.874 4.470 -0.001 0.000 0.277 658 S C -0.168 174.546 174.600 0.191 0.000 1.346 658 S CA -0.753 57.434 58.200 -0.022 0.000 1.034 658 S CB -0.354 62.843 63.200 -0.004 0.000 0.879 658 S HN 0.693 nan 8.310 nan 0.000 0.528 659 L N 2.573 124.005 121.223 0.348 0.000 2.481 659 L HA 0.381 4.721 4.340 -0.001 0.000 0.255 659 L C -2.292 174.690 176.870 0.187 0.000 1.192 659 L CA -1.603 53.410 54.840 0.289 0.000 0.924 659 L CB 1.634 43.943 42.059 0.416 0.000 1.179 659 L HN 0.610 nan 8.230 nan 0.000 0.491 660 P HA 0.180 nan 4.420 nan 0.000 0.274 660 P C -0.133 177.168 177.300 0.002 0.000 1.231 660 P CA -0.198 62.942 63.100 0.066 0.000 0.790 660 P CB 1.845 33.572 31.700 0.046 0.000 0.951 661 L N 1.055 122.287 121.223 0.014 0.000 3.347 661 L HA 0.285 4.624 4.340 -0.001 0.000 0.306 661 L C 1.400 178.334 176.870 0.106 0.000 1.301 661 L CA -0.131 54.694 54.840 -0.025 0.000 0.985 661 L CB 0.078 42.096 42.059 -0.068 0.000 1.400 661 L HN 0.739 nan 8.230 nan 0.000 0.601 662 G N 1.174 110.018 108.800 0.073 0.000 2.622 662 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.307 662 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.307 662 G C 0.522 175.470 174.900 0.081 0.000 1.226 662 G CA 0.713 45.874 45.100 0.101 0.000 0.997 662 G HN 0.477 nan 8.290 nan 0.000 0.551 663 Q N -0.433 119.391 119.800 0.040 0.000 2.444 663 Q HA 0.219 4.558 4.340 -0.001 0.000 0.206 663 Q C 0.765 176.578 176.000 -0.313 0.000 0.948 663 Q CA 0.140 55.856 55.803 -0.145 0.000 0.946 663 Q CB 0.294 28.860 28.738 -0.288 0.000 1.027 663 Q HN 0.501 nan 8.270 nan 0.000 0.513 664 Y N 3.900 123.992 120.300 -0.347 0.000 2.805 664 Y HA -0.063 4.486 4.550 -0.001 0.000 0.331 664 Y C -1.376 174.364 175.900 -0.267 0.000 1.241 664 Y CA -1.462 56.417 58.100 -0.368 0.000 1.546 664 Y CB 0.800 39.204 38.460 -0.093 0.000 1.248 664 Y HN 0.057 nan 8.280 nan 0.000 0.559 665 P HA -0.066 nan 4.420 nan 0.000 0.233 665 P C -0.669 176.473 177.300 -0.265 0.000 1.167 665 P CA 1.050 63.871 63.100 -0.464 0.000 0.770 665 P CB 0.482 31.780 31.700 -0.671 0.000 0.837 666 E N 0.966 121.041 120.200 -0.208 0.000 2.171 666 E HA 0.220 4.569 4.350 -0.001 0.000 0.271 666 E C -0.495 176.224 176.600 0.198 0.000 0.916 666 E CA -0.588 55.835 56.400 0.039 0.000 0.774 666 E CB 1.263 31.029 29.700 0.111 0.000 1.128 666 E HN 0.042 nan 8.360 nan 0.000 0.403 667 D N 1.359 121.839 120.400 0.133 0.000 2.389 667 D HA 0.086 4.726 4.640 -0.001 0.000 0.247 667 D C 0.199 176.576 176.300 0.129 0.000 1.128 667 D CA -0.234 53.853 54.000 0.145 0.000 0.884 667 D CB 1.162 42.034 40.800 0.120 0.000 1.194 667 D HN 0.034 nan 8.370 nan 0.000 0.441 668 V N 2.787 122.767 119.914 0.110 0.000 2.763 668 V HA -0.042 4.078 4.120 -0.001 0.000 0.306 668 V C 0.633 176.597 176.094 -0.217 0.000 1.059 668 V CA 0.267 62.536 62.300 -0.052 0.000 1.138 668 V CB 0.489 32.253 31.823 -0.099 0.000 0.940 668 V HN 0.370 nan 8.190 nan 0.000 0.489 669 K N 3.567 123.764 120.400 -0.338 0.000 2.156 669 K HA 0.733 5.053 4.320 -0.001 0.000 0.250 669 K C -1.004 175.233 176.600 -0.604 0.000 0.955 669 K CA -0.159 55.975 56.287 -0.255 0.000 0.855 669 K CB 1.249 33.698 32.500 -0.084 0.000 1.101 669 K HN 0.401 nan 8.250 nan 0.000 0.434 670 F N -0.448 119.518 119.950 0.027 0.000 2.593 670 F HA 0.801 5.327 4.527 -0.001 0.000 0.320 670 F C 0.582 176.390 175.800 0.014 0.000 1.060 670 F CA -0.650 57.358 58.000 0.014 0.000 0.940 670 F CB 2.723 41.732 39.000 0.014 0.000 1.268 670 F HN 0.530 nan 8.300 nan 0.000 0.475 671 G N 0.382 109.293 108.800 0.185 0.000 2.601 671 G HA2 0.406 4.366 3.960 -0.001 0.000 0.291 671 G HA3 0.406 4.366 3.960 -0.001 0.000 0.291 671 G C -2.185 172.771 174.900 0.092 0.000 1.456 671 G CA -0.830 44.337 45.100 0.112 0.000 0.804 671 G HN 0.366 nan 8.290 nan 0.000 0.499 672 D N 0.755 121.196 120.400 0.069 0.000 2.339 672 D HA 0.417 5.057 4.640 -0.001 0.000 0.245 672 D C -1.974 174.357 176.300 0.052 0.000 1.115 672 D CA -0.734 53.300 54.000 0.057 0.000 0.917 672 D CB 1.063 41.890 40.800 0.046 0.000 1.192 672 D HN 0.003 nan 8.370 nan 0.000 0.428 673 P HA 0.059 nan 4.420 nan 0.000 0.264 673 P C -0.518 176.811 177.300 0.049 0.000 1.179 673 P CA 0.453 63.584 63.100 0.051 0.000 0.763 673 P CB 0.395 32.128 31.700 0.055 0.000 0.806 674 R N 0.368 120.898 120.500 0.051 0.000 2.690 674 R HA 0.426 4.766 4.340 -0.001 0.000 0.269 674 R C -1.135 175.204 176.300 0.064 0.000 1.037 674 R CA -1.025 55.105 56.100 0.051 0.000 0.877 674 R CB 1.131 31.457 30.300 0.043 0.000 1.255 674 R HN 0.231 nan 8.270 nan 0.000 0.467 675 E N 1.528 121.767 120.200 0.065 0.000 2.398 675 E HA 0.284 4.633 4.350 -0.001 0.000 0.263 675 E C -0.032 176.625 176.600 0.096 0.000 1.046 675 E CA -0.103 56.349 56.400 0.088 0.000 0.908 675 E CB 0.881 30.618 29.700 0.061 0.000 0.963 675 E HN 0.461 nan 8.360 nan 0.000 0.431 676 I N -2.295 118.367 120.570 0.153 0.000 3.095 676 I HA 0.523 4.692 4.170 -0.001 0.000 0.310 676 I C -0.805 175.455 176.117 0.240 0.000 1.196 676 I CA -0.734 60.656 61.300 0.149 0.000 0.985 676 I CB 2.498 40.558 38.000 0.101 0.000 1.250 676 I HN 0.128 nan 8.210 nan 0.000 0.446 677 S N 3.520 119.331 115.700 0.185 0.000 2.526 677 S HA 0.850 5.320 4.470 -0.001 0.000 0.293 677 S C -0.819 173.897 174.600 0.194 0.000 1.092 677 S CA -0.605 57.715 58.200 0.200 0.000 0.980 677 S CB 1.561 64.829 63.200 0.113 0.000 1.048 677 S HN 0.543 nan 8.310 nan 0.000 0.483 678 L N 2.140 123.507 121.223 0.240 0.000 2.409 678 L HA 0.687 5.027 4.340 -0.001 0.000 0.262 678 L C -0.475 176.491 176.870 0.160 0.000 0.992 678 L CA -0.658 54.294 54.840 0.188 0.000 0.817 678 L CB 2.305 44.491 42.059 0.211 0.000 1.350 678 L HN 0.512 nan 8.230 nan 0.000 0.411 679 R N 1.680 122.250 120.500 0.118 0.000 2.522 679 R HA 0.648 4.987 4.340 -0.001 0.000 0.283 679 R C -2.090 174.259 176.300 0.081 0.000 1.074 679 R CA -0.475 55.682 56.100 0.096 0.000 0.925 679 R CB 2.261 32.609 30.300 0.080 0.000 1.205 679 R HN 0.403 nan 8.270 nan 0.000 0.436 680 V N 4.677 124.637 119.914 0.077 0.000 2.435 680 V HA 0.554 4.674 4.120 -0.001 0.000 0.290 680 V C 1.112 177.239 176.094 0.055 0.000 1.030 680 V CA 0.690 63.031 62.300 0.067 0.000 0.881 680 V CB 1.083 32.948 31.823 0.069 0.000 0.983 680 V HN 1.116 nan 8.190 nan 0.000 0.445 681 G N 5.111 113.941 108.800 0.051 0.000 2.596 681 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.295 681 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.295 681 G C 0.520 175.443 174.900 0.038 0.000 1.240 681 G CA 0.628 45.754 45.100 0.043 0.000 0.985 681 G HN 0.674 nan 8.290 nan 0.000 0.555 682 N N 2.293 121.012 118.700 0.032 0.000 2.235 682 N HA 0.241 4.981 4.740 -0.001 0.000 0.209 682 N C 1.273 176.796 175.510 0.021 0.000 1.122 682 N CA 0.919 53.984 53.050 0.025 0.000 0.845 682 N CB 0.478 38.976 38.487 0.019 0.000 1.004 682 N HN 0.803 nan 8.380 nan 0.000 0.499 683 G N 1.970 110.786 108.800 0.028 0.000 2.486 683 G HA2 0.160 4.119 3.960 -0.001 0.000 0.272 683 G HA3 0.160 4.119 3.960 -0.001 0.000 0.272 683 G C -2.290 172.624 174.900 0.022 0.000 1.426 683 G CA -0.498 44.617 45.100 0.024 0.000 1.058 683 G HN 0.013 nan 8.290 nan 0.000 0.531 684 P HA 0.218 nan 4.420 nan 0.000 0.274 684 P C -0.576 176.746 177.300 0.036 0.000 1.246 684 P CA 0.020 63.128 63.100 0.013 0.000 0.795 684 P CB 0.902 32.604 31.700 0.003 0.000 1.006 685 T N 2.194 116.768 114.554 0.034 0.000 2.771 685 T HA 0.479 4.828 4.350 -0.001 0.000 0.281 685 T C -0.061 174.677 174.700 0.063 0.000 0.982 685 T CA -0.408 61.737 62.100 0.074 0.000 0.978 685 T CB 0.195 69.124 68.868 0.103 0.000 0.930 685 T HN 0.175 nan 8.240 nan 0.000 0.447 686 L N 2.623 123.886 121.223 0.066 0.000 2.329 686 L HA 0.783 5.122 4.340 -0.001 0.000 0.279 686 L C 0.172 176.980 176.870 -0.103 0.000 1.014 686 L CA -1.184 53.612 54.840 -0.073 0.000 0.814 686 L CB 1.579 43.565 42.059 -0.121 0.000 1.257 686 L HN 0.647 nan 8.230 nan 0.000 0.424 687 A N 3.144 125.821 122.820 -0.240 0.000 2.324 687 A HA 0.863 5.183 4.320 -0.001 0.000 0.330 687 A C -1.193 176.167 177.584 -0.372 0.000 1.165 687 A CA -0.294 51.656 52.037 -0.144 0.000 0.813 687 A CB 0.780 19.738 19.000 -0.071 0.000 1.197 687 A HN 0.506 nan 8.150 nan 0.000 0.484 688 F N 0.807 120.798 119.950 0.068 0.000 2.546 688 F HA 0.520 5.046 4.527 -0.001 0.000 0.320 688 F C 1.074 176.919 175.800 0.075 0.000 1.076 688 F CA -0.300 57.756 58.000 0.094 0.000 0.928 688 F CB 2.185 41.244 39.000 0.098 0.000 1.189 688 F HN 0.682 nan 8.300 nan 0.000 0.465 689 S N 0.146 116.010 115.700 0.274 0.000 2.608 689 S HA 0.090 4.559 4.470 -0.001 0.000 0.261 689 S C 1.055 175.760 174.600 0.175 0.000 1.314 689 S CA -0.034 58.272 58.200 0.176 0.000 0.992 689 S CB 0.709 64.014 63.200 0.176 0.000 0.935 689 S HN 0.859 nan 8.310 nan 0.000 0.564 690 E N -0.125 120.145 120.200 0.118 0.000 2.409 690 E HA -0.192 4.158 4.350 -0.001 0.000 0.198 690 E C 1.252 177.914 176.600 0.104 0.000 1.024 690 E CA 0.959 57.418 56.400 0.098 0.000 0.861 690 E CB -0.391 29.351 29.700 0.071 0.000 0.788 690 E HN 0.765 nan 8.360 nan 0.000 0.521 691 Q N 0.008 119.884 119.800 0.128 0.000 2.280 691 Q HA 0.220 4.560 4.340 -0.001 0.000 0.202 691 Q C 0.809 176.897 176.000 0.147 0.000 0.903 691 Q CA 0.472 56.349 55.803 0.123 0.000 0.948 691 Q CB 0.990 29.801 28.738 0.123 0.000 1.058 691 Q HN 0.479 nan 8.270 nan 0.000 0.493 692 G N 0.335 109.242 108.800 0.178 0.000 2.136 692 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.242 692 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.242 692 G C -0.307 174.816 174.900 0.371 0.000 0.989 692 G CA -0.163 45.048 45.100 0.185 0.000 0.682 692 G HN 0.262 nan 8.290 nan 0.000 0.522 693 L N -0.150 121.334 121.223 0.436 0.000 2.325 693 L HA 0.694 5.034 4.340 -0.001 0.000 0.278 693 L C 0.764 177.940 176.870 0.510 0.000 1.023 693 L CA -1.355 53.791 54.840 0.510 0.000 0.811 693 L CB 1.607 43.867 42.059 0.334 0.000 1.249 693 L HN 0.136 nan 8.230 nan 0.000 0.431 694 L N 2.894 124.392 121.223 0.459 0.000 2.559 694 L HA -0.048 4.291 4.340 -0.001 0.000 0.282 694 L C 0.914 177.856 176.870 0.120 0.000 1.232 694 L CA 1.112 55.967 54.840 0.025 0.000 0.885 694 L CB 0.107 42.219 42.059 0.087 0.000 1.131 694 L HN 0.692 nan 8.230 nan 0.000 0.498 695 K N 1.157 121.524 120.400 -0.054 0.000 2.462 695 K HA 0.239 4.559 4.320 -0.001 0.000 0.201 695 K C -0.366 176.175 176.600 -0.098 0.000 1.268 695 K CA 0.602 56.871 56.287 -0.029 0.000 0.933 695 K CB 0.517 32.978 32.500 -0.065 0.000 1.162 695 K HN 0.834 nan 8.250 nan 0.000 0.527 696 S N -0.477 115.142 115.700 -0.136 0.000 2.567 696 S HA 0.516 4.986 4.470 -0.001 0.000 0.270 696 S C -1.071 173.474 174.600 -0.092 0.000 1.152 696 S CA -1.023 57.122 58.200 -0.092 0.000 0.835 696 S CB 1.421 64.612 63.200 -0.016 0.000 1.115 696 S HN 0.068 nan 8.310 nan 0.000 0.459 697 I N 1.353 121.887 120.570 -0.061 0.000 2.499 697 I HA 0.460 4.629 4.170 -0.001 0.000 0.288 697 I C -0.648 175.435 176.117 -0.056 0.000 1.048 697 I CA -0.371 60.895 61.300 -0.057 0.000 1.062 697 I CB 2.183 40.138 38.000 -0.075 0.000 1.238 697 I HN 0.747 nan 8.210 nan 0.000 0.426 698 Q N 6.024 125.782 119.800 -0.069 0.000 2.357 698 Q HA 0.423 4.762 4.340 -0.001 0.000 0.266 698 Q C 0.011 175.942 176.000 -0.114 0.000 1.021 698 Q CA -0.530 55.156 55.803 -0.195 0.000 0.784 698 Q CB 1.667 30.148 28.738 -0.428 0.000 1.243 698 Q HN 0.775 nan 8.270 nan 0.000 0.465 699 L N 2.048 123.211 121.223 -0.101 0.000 2.093 699 L HA -0.021 4.318 4.340 -0.001 0.000 0.208 699 L C 1.134 177.972 176.870 -0.053 0.000 1.085 699 L CA 1.267 56.069 54.840 -0.064 0.000 0.755 699 L CB -0.294 41.730 42.059 -0.058 0.000 0.904 699 L HN 0.680 nan 8.230 nan 0.000 0.435 700 T N -6.799 107.714 114.554 -0.067 0.000 2.841 700 T HA 0.208 4.557 4.350 -0.001 0.000 0.296 700 T C 0.502 175.169 174.700 -0.055 0.000 1.166 700 T CA -0.845 61.227 62.100 -0.046 0.000 1.007 700 T CB 1.845 70.690 68.868 -0.038 0.000 1.253 700 T HN -0.180 nan 8.240 nan 0.000 0.511 701 Q N 1.017 120.800 119.800 -0.029 0.000 2.156 701 Q HA -0.195 4.144 4.340 -0.001 0.000 0.211 701 Q C 1.818 177.801 176.000 -0.029 0.000 0.995 701 Q CA 2.691 58.484 55.803 -0.018 0.000 0.877 701 Q CB -0.405 28.332 28.738 -0.001 0.000 0.920 701 Q HN 0.921 nan 8.270 nan 0.000 0.416 702 D N -0.264 120.115 120.400 -0.035 0.000 2.162 702 D HA -0.059 4.580 4.640 -0.001 0.000 0.205 702 D C 0.913 177.177 176.300 -0.061 0.000 0.964 702 D CA 0.707 54.687 54.000 -0.034 0.000 0.847 702 D CB -0.580 40.206 40.800 -0.023 0.000 0.988 702 D HN 0.108 nan 8.370 nan 0.000 0.480 703 S N 2.061 117.712 115.700 -0.082 0.000 2.553 703 S HA 0.102 4.571 4.470 -0.001 0.000 0.271 703 S C -2.101 172.402 174.600 -0.162 0.000 1.362 703 S CA -0.851 57.288 58.200 -0.101 0.000 1.010 703 S CB -0.033 63.109 63.200 -0.096 0.000 0.865 703 S HN 0.111 nan 8.310 nan 0.000 0.543 704 P HA 0.189 nan 4.420 nan 0.000 0.276 704 P C -0.752 176.419 177.300 -0.215 0.000 1.244 704 P CA -0.373 62.655 63.100 -0.120 0.000 0.801 704 P CB 0.281 31.964 31.700 -0.029 0.000 1.006 705 H N 0.334 119.396 119.070 -0.013 0.000 2.969 705 H HA 0.176 4.731 4.556 -0.001 0.000 0.269 705 H C -0.116 175.191 175.328 -0.036 0.000 1.223 705 H CA -0.331 55.700 56.048 -0.028 0.000 1.400 705 H CB -0.021 29.725 29.762 -0.027 0.000 1.500 705 H HN 0.085 nan 8.280 nan 0.000 0.486 706 V N 6.942 126.852 119.914 -0.008 0.000 2.470 706 V HA 0.051 4.170 4.120 -0.001 0.000 0.276 706 V C -1.882 174.166 176.094 -0.076 0.000 1.040 706 V CA -1.492 60.790 62.300 -0.030 0.000 1.008 706 V CB 0.619 32.412 31.823 -0.049 0.000 0.990 706 V HN 0.537 nan 8.190 nan 0.000 0.477 707 P HA 0.164 nan 4.420 nan 0.000 0.266 707 P C -0.765 176.403 177.300 -0.220 0.000 1.215 707 P CA 0.259 63.219 63.100 -0.233 0.000 0.763 707 P CB 0.475 31.874 31.700 -0.501 0.000 0.806 708 V N 4.208 124.021 119.914 -0.169 0.000 2.498 708 V HA 0.200 4.320 4.120 -0.001 0.000 0.283 708 V C -0.734 175.269 176.094 -0.152 0.000 1.015 708 V CA -0.448 61.734 62.300 -0.196 0.000 0.867 708 V CB 1.062 32.755 31.823 -0.216 0.000 1.025 708 V HN 0.536 nan 8.190 nan 0.000 0.441 709 H N 4.492 123.406 119.070 -0.260 0.000 2.481 709 H HA 0.672 5.227 4.556 -0.001 0.000 0.333 709 H C -1.221 173.989 175.328 -0.196 0.000 1.066 709 H CA -0.942 54.997 56.048 -0.181 0.000 1.209 709 H CB 1.046 30.738 29.762 -0.116 0.000 1.445 709 H HN 0.383 nan 8.280 nan 0.000 0.488 710 F N 3.909 123.608 119.950 -0.418 0.000 2.384 710 F HA 0.398 4.925 4.527 -0.001 0.000 0.338 710 F C 0.357 175.680 175.800 -0.794 0.000 1.103 710 F CA -0.141 57.557 58.000 -0.503 0.000 1.157 710 F CB 0.983 39.812 39.000 -0.285 0.000 1.167 710 F HN 0.477 nan 8.300 nan 0.000 0.529 711 K N 2.990 123.136 120.400 -0.424 0.000 2.527 711 K HA 0.515 4.834 4.320 -0.001 0.000 0.260 711 K C -2.015 174.312 176.600 -0.454 0.000 0.937 711 K CA -0.562 55.504 56.287 -0.367 0.000 0.826 711 K CB 1.402 33.740 32.500 -0.270 0.000 1.359 711 K HN 0.399 nan 8.250 nan 0.000 0.434 712 F N 3.714 123.580 119.950 -0.139 0.000 2.458 712 F HA 0.515 5.041 4.527 -0.001 0.000 0.336 712 F C -0.420 175.331 175.800 -0.081 0.000 1.114 712 F CA -0.600 57.333 58.000 -0.113 0.000 0.987 712 F CB 1.270 40.189 39.000 -0.135 0.000 1.130 712 F HN 0.241 nan 8.300 nan 0.000 0.458 713 L N 2.553 123.814 121.223 0.063 0.000 2.322 713 L HA 0.639 4.978 4.340 -0.001 0.000 0.252 713 L C -1.195 175.663 176.870 -0.019 0.000 1.055 713 L CA -1.024 53.804 54.840 -0.021 0.000 0.849 713 L CB 2.333 44.317 42.059 -0.125 0.000 1.446 713 L HN 0.501 nan 8.230 nan 0.000 0.416 714 K N -0.452 119.898 120.400 -0.083 0.000 2.427 714 K HA 0.663 4.982 4.320 -0.001 0.000 0.252 714 K C -1.825 174.713 176.600 -0.103 0.000 0.931 714 K CA -0.795 55.475 56.287 -0.029 0.000 0.793 714 K CB 1.726 34.241 32.500 0.025 0.000 1.211 714 K HN 0.259 nan 8.250 nan 0.000 0.426 715 Y N 0.650 121.007 120.300 0.095 0.000 2.419 715 Y HA 0.544 5.093 4.550 -0.001 0.000 0.328 715 Y C 0.987 176.942 175.900 0.091 0.000 1.162 715 Y CA 0.005 58.172 58.100 0.112 0.000 1.174 715 Y CB 2.216 40.807 38.460 0.219 0.000 1.228 715 Y HN 0.923 nan 8.280 nan 0.000 0.473 716 G N 0.466 109.411 108.800 0.243 0.000 2.971 716 G HA2 0.643 4.602 3.960 -0.001 0.000 0.235 716 G HA3 0.643 4.602 3.960 -0.001 0.000 0.235 716 G C -1.474 173.499 174.900 0.121 0.000 1.351 716 G CA -0.752 44.435 45.100 0.145 0.000 1.039 716 G HN 0.434 nan 8.290 nan 0.000 0.563 717 V N -0.203 119.752 119.914 0.069 0.000 2.914 717 V HA 0.478 4.597 4.120 -0.001 0.000 0.314 717 V C -0.066 176.029 176.094 0.001 0.000 1.084 717 V CA -0.879 61.442 62.300 0.034 0.000 0.963 717 V CB 1.961 33.807 31.823 0.039 0.000 1.025 717 V HN 0.683 nan 8.190 nan 0.000 0.432 718 R N 1.249 121.722 120.500 -0.044 0.000 2.543 718 R HA 0.228 4.567 4.340 -0.001 0.000 0.277 718 R C 1.100 177.369 176.300 -0.051 0.000 1.074 718 R CA 0.410 56.453 56.100 -0.095 0.000 1.076 718 R CB 0.631 30.811 30.300 -0.200 0.000 0.993 718 R HN 0.909 nan 8.270 nan 0.000 0.459 719 S N 0.824 116.519 115.700 -0.009 0.000 2.524 719 S HA -0.017 4.453 4.470 -0.001 0.000 0.216 719 S C 0.120 174.792 174.600 0.120 0.000 0.987 719 S CA -0.176 58.063 58.200 0.064 0.000 0.909 719 S CB -0.275 62.988 63.200 0.104 0.000 0.781 719 S HN 0.831 nan 8.310 nan 0.000 0.521 720 H N -2.134 116.937 119.070 0.001 0.000 2.806 720 H HA 0.765 5.320 4.556 -0.001 0.000 0.367 720 H C 0.465 175.791 175.328 -0.005 0.000 1.136 720 H CA -0.454 55.593 56.048 -0.002 0.000 1.178 720 H CB 1.208 30.970 29.762 -0.002 0.000 1.718 720 H HN 0.355 nan 8.280 nan 0.000 0.540 721 G N 1.574 110.381 108.800 0.011 0.000 2.508 721 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.220 721 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.220 721 G C -1.237 173.631 174.900 -0.052 0.000 1.287 721 G CA -0.262 44.812 45.100 -0.043 0.000 0.916 721 G HN 0.827 nan 8.290 nan 0.000 0.574 722 D N 1.190 121.552 120.400 -0.064 0.000 2.302 722 D HA 0.595 5.234 4.640 -0.001 0.000 0.248 722 D C 0.790 177.055 176.300 -0.059 0.000 1.094 722 D CA 0.114 54.082 54.000 -0.053 0.000 0.897 722 D CB 1.049 41.818 40.800 -0.052 0.000 1.200 722 D HN 0.414 nan 8.370 nan 0.000 0.429 723 R N 0.485 120.960 120.500 -0.041 0.000 2.407 723 R HA 0.348 4.687 4.340 -0.001 0.000 0.303 723 R C -0.009 176.278 176.300 -0.021 0.000 0.981 723 R CA -0.521 55.562 56.100 -0.028 0.000 0.905 723 R CB 0.970 31.264 30.300 -0.010 0.000 1.099 723 R HN 0.215 nan 8.270 nan 0.000 0.459 724 S N 0.456 116.154 115.700 -0.003 0.000 2.563 724 S HA 0.476 4.945 4.470 -0.001 0.000 0.284 724 S C 0.471 175.087 174.600 0.026 0.000 1.331 724 S CA 0.367 58.583 58.200 0.026 0.000 1.047 724 S CB 0.869 64.118 63.200 0.082 0.000 0.859 724 S HN 0.743 nan 8.310 nan 0.000 0.514 725 G N -0.134 108.681 108.800 0.025 0.000 2.815 725 G HA2 0.592 4.552 3.960 -0.001 0.000 0.305 725 G HA3 0.592 4.552 3.960 -0.001 0.000 0.305 725 G C 0.546 175.460 174.900 0.023 0.000 1.277 725 G CA -0.140 44.979 45.100 0.033 0.000 0.795 725 G HN 0.707 nan 8.290 nan 0.000 0.528 726 A N -1.268 121.554 122.820 0.003 0.000 1.978 726 A HA 0.059 4.378 4.320 -0.001 0.000 0.220 726 A C 1.921 179.416 177.584 -0.148 0.000 1.170 726 A CA 2.020 54.005 52.037 -0.087 0.000 0.636 726 A CB -0.638 18.250 19.000 -0.187 0.000 0.810 726 A HN 0.594 nan 8.150 nan 0.000 0.448 727 Y N -0.721 119.526 120.300 -0.089 0.000 2.301 727 Y HA 0.324 4.873 4.550 -0.001 0.000 0.295 727 Y C 0.903 176.701 175.900 -0.170 0.000 1.126 727 Y CA 0.087 58.070 58.100 -0.196 0.000 1.154 727 Y CB -0.147 37.856 38.460 -0.761 0.000 1.075 727 Y HN 0.033 nan 8.280 nan 0.000 0.534 728 L N 0.372 121.550 121.223 -0.076 0.000 2.334 728 L HA 0.213 4.552 4.340 -0.001 0.000 0.277 728 L C -1.094 175.824 176.870 0.079 0.000 1.075 728 L CA -0.586 54.216 54.840 -0.065 0.000 0.804 728 L CB 0.898 42.862 42.059 -0.159 0.000 1.174 728 L HN 0.014 nan 8.230 nan 0.000 0.438 729 F N 4.630 124.520 119.950 -0.099 0.000 2.375 729 F HA 0.487 5.014 4.527 -0.001 0.000 0.361 729 F C -0.738 174.982 175.800 -0.134 0.000 1.117 729 F CA -1.187 56.716 58.000 -0.161 0.000 1.037 729 F CB 0.670 39.510 39.000 -0.266 0.000 1.192 729 F HN 0.208 nan 8.300 nan 0.000 0.452 730 L N 9.123 130.247 121.223 -0.164 0.000 2.556 730 L HA 0.325 4.664 4.340 -0.001 0.000 0.243 730 L C -2.315 174.367 176.870 -0.313 0.000 1.331 730 L CA -1.770 52.910 54.840 -0.266 0.000 0.927 730 L CB 1.009 42.997 42.059 -0.118 0.000 1.219 730 L HN 0.392 nan 8.230 nan 0.000 0.490 731 P HA 0.005 nan 4.420 nan 0.000 0.269 731 P C -0.511 176.698 177.300 -0.151 0.000 1.215 731 P CA -0.178 62.724 63.100 -0.330 0.000 0.780 731 P CB 0.563 31.948 31.700 -0.525 0.000 0.898 732 N N 1.099 119.784 118.700 -0.026 0.000 3.209 732 N HA 0.295 5.034 4.740 -0.001 0.000 0.309 732 N C 0.651 176.171 175.510 0.016 0.000 1.384 732 N CA -0.201 52.836 53.050 -0.023 0.000 1.173 732 N CB -0.621 37.865 38.487 -0.001 0.000 1.460 732 N HN 0.743 nan 8.380 nan 0.000 0.534 733 G N 0.827 109.633 108.800 0.009 0.000 2.655 733 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.680 733 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.680 733 G C -3.089 171.880 174.900 0.115 0.000 1.302 733 G CA -1.130 43.992 45.100 0.037 0.000 0.872 733 G HN 0.349 nan 8.290 nan 0.000 0.540 734 P HA 0.465 nan 4.420 nan 0.000 0.268 734 P C 0.515 177.771 177.300 -0.073 0.000 1.208 734 P CA 0.658 63.812 63.100 0.089 0.000 0.777 734 P CB 0.454 32.175 31.700 0.036 0.000 0.875 735 A N 2.059 124.644 122.820 -0.393 0.000 2.406 735 A HA 0.407 4.727 4.320 -0.001 0.000 0.243 735 A C 0.157 177.588 177.584 -0.256 0.000 1.082 735 A CA 0.284 51.940 52.037 -0.635 0.000 0.786 735 A CB -0.196 18.131 19.000 -1.122 0.000 1.029 735 A HN 0.481 nan 8.150 nan 0.000 0.495 736 S N 1.889 117.480 115.700 -0.182 0.000 2.501 736 S HA 0.603 5.073 4.470 -0.001 0.000 0.301 736 S C -2.737 171.823 174.600 -0.067 0.000 1.096 736 S CA -1.032 57.117 58.200 -0.085 0.000 1.063 736 S CB 1.401 64.574 63.200 -0.045 0.000 1.042 736 S HN 0.561 nan 8.310 nan 0.000 0.494 737 P HA 0.114 nan 4.420 nan 0.000 0.268 737 P C -0.720 176.585 177.300 0.008 0.000 1.205 737 P CA -0.313 62.782 63.100 -0.008 0.000 0.771 737 P CB 0.311 32.017 31.700 0.010 0.000 0.858 738 V N 3.662 123.594 119.914 0.030 0.000 2.637 738 V HA -0.012 4.107 4.120 -0.001 0.000 0.296 738 V C 0.936 177.044 176.094 0.024 0.000 1.046 738 V CA 0.208 62.525 62.300 0.027 0.000 1.066 738 V CB -0.111 31.736 31.823 0.040 0.000 0.968 738 V HN 0.519 nan 8.190 nan 0.000 0.483 739 E N 4.140 124.349 120.200 0.015 0.000 2.217 739 E HA 0.169 4.518 4.350 -0.001 0.000 0.279 739 E C 0.498 177.107 176.600 0.015 0.000 1.068 739 E CA -0.191 56.220 56.400 0.018 0.000 0.882 739 E CB 0.838 30.548 29.700 0.016 0.000 1.039 739 E HN 0.550 nan 8.360 nan 0.000 0.418 740 L N 2.817 124.054 121.223 0.024 0.000 2.375 740 L HA 0.120 4.460 4.340 -0.001 0.000 0.215 740 L C 1.353 178.238 176.870 0.025 0.000 1.108 740 L CA 0.433 55.285 54.840 0.020 0.000 0.830 740 L CB -0.700 41.380 42.059 0.036 0.000 0.959 740 L HN 0.850 nan 8.230 nan 0.000 0.457 741 G N 0.761 109.579 108.800 0.030 0.000 2.552 741 G HA2 -0.392 3.568 3.960 -0.001 0.000 0.265 741 G HA3 -0.392 3.568 3.960 -0.001 0.000 0.265 741 G C -0.050 174.875 174.900 0.041 0.000 1.234 741 G CA 0.162 45.282 45.100 0.034 0.000 0.944 741 G HN 0.344 nan 8.290 nan 0.000 0.568 742 Q N 1.513 121.340 119.800 0.045 0.000 2.571 742 Q HA 0.490 4.829 4.340 -0.001 0.000 0.243 742 Q C -2.090 173.947 176.000 0.062 0.000 1.055 742 Q CA -1.642 54.191 55.803 0.051 0.000 0.815 742 Q CB 1.179 29.944 28.738 0.045 0.000 1.151 742 Q HN 0.635 nan 8.270 nan 0.000 0.519 743 P HA 0.053 nan 4.420 nan 0.000 0.272 743 P C -0.519 176.848 177.300 0.111 0.000 1.230 743 P CA -0.292 62.857 63.100 0.081 0.000 0.788 743 P CB 1.106 32.836 31.700 0.049 0.000 0.949 744 V N 2.181 122.200 119.914 0.174 0.000 2.530 744 V HA 0.132 4.251 4.120 -0.001 0.000 0.282 744 V C 0.556 176.804 176.094 0.258 0.000 1.048 744 V CA -0.249 62.178 62.300 0.212 0.000 0.997 744 V CB 1.212 33.204 31.823 0.280 0.000 0.987 744 V HN 0.269 nan 8.190 nan 0.000 0.477 745 V N 6.225 126.235 119.914 0.159 0.000 2.495 745 V HA 0.492 4.611 4.120 -0.001 0.000 0.298 745 V C -0.444 175.671 176.094 0.035 0.000 1.031 745 V CA -0.640 61.729 62.300 0.115 0.000 0.871 745 V CB 1.718 33.566 31.823 0.043 0.000 0.988 745 V HN 0.669 nan 8.190 nan 0.000 0.432 746 L N 6.414 127.647 121.223 0.016 0.000 2.325 746 L HA 0.724 5.064 4.340 -0.001 0.000 0.281 746 L C -0.678 176.075 176.870 -0.196 0.000 1.004 746 L CA -0.025 54.701 54.840 -0.190 0.000 0.823 746 L CB 1.775 43.622 42.059 -0.353 0.000 1.236 746 L HN 0.441 nan 8.230 nan 0.000 0.415 747 V N 4.083 123.872 119.914 -0.207 0.000 2.384 747 V HA 0.553 4.673 4.120 -0.001 0.000 0.287 747 V C 0.003 176.023 176.094 -0.122 0.000 1.020 747 V CA -0.382 61.819 62.300 -0.165 0.000 0.850 747 V CB 1.557 33.300 31.823 -0.133 0.000 0.987 747 V HN 0.835 nan 8.190 nan 0.000 0.436 748 T N 5.423 119.934 114.554 -0.071 0.000 2.786 748 T HA 0.435 4.785 4.350 -0.001 0.000 0.283 748 T C -0.403 174.324 174.700 0.044 0.000 0.992 748 T CA -0.564 61.550 62.100 0.023 0.000 0.954 748 T CB 1.119 70.039 68.868 0.087 0.000 0.934 748 T HN 0.660 nan 8.240 nan 0.000 0.440 749 K N 2.450 122.893 120.400 0.071 0.000 2.450 749 K HA 0.685 5.004 4.320 -0.001 0.000 0.257 749 K C -0.349 176.310 176.600 0.098 0.000 0.953 749 K CA -0.580 55.750 56.287 0.072 0.000 0.844 749 K CB 1.018 33.554 32.500 0.060 0.000 1.103 749 K HN 0.782 nan 8.250 nan 0.000 0.429 750 G N 2.162 111.018 108.800 0.092 0.000 2.658 750 G HA2 0.175 4.134 3.960 -0.001 0.000 0.292 750 G HA3 0.175 4.134 3.960 -0.001 0.000 0.292 750 G C -0.238 174.708 174.900 0.076 0.000 1.320 750 G CA -0.627 44.529 45.100 0.094 0.000 0.933 750 G HN 0.659 nan 8.290 nan 0.000 0.476 751 K N -0.411 120.030 120.400 0.068 0.000 2.155 751 K HA 0.134 4.454 4.320 -0.001 0.000 0.203 751 K C 1.636 178.272 176.600 0.061 0.000 1.052 751 K CA 0.972 57.295 56.287 0.061 0.000 0.948 751 K CB -0.140 32.392 32.500 0.054 0.000 0.728 751 K HN 0.426 nan 8.250 nan 0.000 0.448 752 L N -0.611 120.651 121.223 0.063 0.000 2.470 752 L HA 0.225 4.564 4.340 -0.001 0.000 0.219 752 L C 0.535 177.442 176.870 0.060 0.000 1.071 752 L CA 0.020 54.897 54.840 0.062 0.000 0.850 752 L CB 0.406 42.505 42.059 0.067 0.000 1.040 752 L HN 0.159 nan 8.230 nan 0.000 0.475 753 E N -0.238 120.003 120.200 0.068 0.000 2.321 753 E HA 0.403 4.752 4.350 -0.001 0.000 0.281 753 E C -1.511 175.134 176.600 0.076 0.000 0.910 753 E CA -0.204 56.236 56.400 0.067 0.000 0.770 753 E CB 2.175 31.913 29.700 0.064 0.000 1.225 753 E HN -0.127 nan 8.360 nan 0.000 0.417 754 S N 1.179 116.922 115.700 0.071 0.000 2.634 754 S HA 0.793 5.262 4.470 -0.001 0.000 0.296 754 S C -1.279 173.348 174.600 0.045 0.000 1.104 754 S CA -0.630 57.608 58.200 0.063 0.000 0.920 754 S CB 1.802 65.041 63.200 0.065 0.000 1.111 754 S HN 0.633 nan 8.310 nan 0.000 0.493 755 S N -0.168 115.535 115.700 0.005 0.000 2.565 755 S HA 0.753 5.223 4.470 -0.001 0.000 0.269 755 S C -1.811 172.698 174.600 -0.152 0.000 1.153 755 S CA -0.710 57.467 58.200 -0.040 0.000 0.835 755 S CB 1.097 64.295 63.200 -0.003 0.000 1.122 755 S HN 0.468 nan 8.310 nan 0.000 0.462 756 V N 1.899 121.661 119.914 -0.253 0.000 2.483 756 V HA 0.729 4.848 4.120 -0.001 0.000 0.297 756 V C -0.528 175.429 176.094 -0.229 0.000 1.027 756 V CA -0.397 61.674 62.300 -0.383 0.000 0.855 756 V CB 1.558 32.823 31.823 -0.931 0.000 0.995 756 V HN 0.982 nan 8.190 nan 0.000 0.424 757 S N 3.229 118.852 115.700 -0.128 0.000 2.513 757 S HA 0.796 5.266 4.470 -0.001 0.000 0.299 757 S C -0.845 173.694 174.600 -0.101 0.000 1.087 757 S CA -0.628 57.510 58.200 -0.102 0.000 1.012 757 S CB 2.161 65.409 63.200 0.080 0.000 1.044 757 S HN 0.669 nan 8.310 nan 0.000 0.485 758 V N 2.043 121.774 119.914 -0.306 0.000 2.760 758 V HA 0.815 4.934 4.120 -0.001 0.000 0.309 758 V C -0.093 175.634 176.094 -0.611 0.000 1.077 758 V CA -0.419 61.709 62.300 -0.287 0.000 0.910 758 V CB 1.807 33.600 31.823 -0.050 0.000 1.008 758 V HN 0.990 nan 8.190 nan 0.000 0.424 759 G N 6.973 115.425 108.800 -0.580 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 -0.580 174.206 174.900 -0.190 0.000 0.984 759 G CA -0.330 44.482 45.100 -0.479 0.000 1.183 759 G HN 0.705 nan 8.290 nan 0.000 0.443 760 L N 2.644 123.714 121.223 -0.254 0.000 2.400 760 L HA 0.426 4.765 4.340 -0.001 0.000 0.264 760 L C -2.079 174.679 176.870 -0.187 0.000 1.061 760 L CA -2.398 52.321 54.840 -0.202 0.000 0.799 760 L CB 1.889 43.757 42.059 -0.320 0.000 1.240 760 L HN 0.196 nan 8.230 nan 0.000 0.461 761 P HA 0.096 nan 4.420 nan 0.000 0.267 761 P C -0.009 177.191 177.300 -0.167 0.000 1.209 761 P CA 0.382 63.406 63.100 -0.126 0.000 0.763 761 P CB 0.991 32.642 31.700 -0.082 0.000 0.816 762 S N -0.141 115.466 115.700 -0.155 0.000 2.929 762 S HA -0.111 4.358 4.470 -0.001 0.000 0.271 762 S C 0.179 174.665 174.600 -0.190 0.000 1.295 762 S CA 1.214 59.328 58.200 -0.143 0.000 1.277 762 S CB -1.543 61.596 63.200 -0.102 0.000 1.557 762 S HN 0.397 nan 8.310 nan 0.000 0.666 763 V N 1.283 121.029 119.914 -0.281 0.000 2.655 763 V HA 0.417 4.536 4.120 -0.001 0.000 0.301 763 V C -0.237 175.630 176.094 -0.379 0.000 1.082 763 V CA -0.792 61.297 62.300 -0.352 0.000 0.899 763 V CB 2.079 33.520 31.823 -0.637 0.000 1.014 763 V HN 0.100 nan 8.190 nan 0.000 0.429 764 V N 4.699 124.404 119.914 -0.348 0.000 2.368 764 V HA 0.302 4.421 4.120 -0.001 0.000 0.266 764 V C 0.200 176.090 176.094 -0.341 0.000 1.045 764 V CA -0.295 61.698 62.300 -0.512 0.000 0.899 764 V CB 0.682 32.105 31.823 -0.666 0.000 1.006 764 V HN 0.893 nan 8.190 nan 0.000 0.470 765 H N 5.826 124.642 119.070 -0.422 0.000 2.467 765 H HA 0.511 5.066 4.556 -0.001 0.000 0.326 765 H C -0.683 174.531 175.328 -0.191 0.000 1.094 765 H CA -0.470 55.433 56.048 -0.242 0.000 1.253 765 H CB 1.509 31.162 29.762 -0.182 0.000 1.439 765 H HN 0.703 nan 8.280 nan 0.000 0.479 766 Q N 3.749 123.258 119.800 -0.485 0.000 2.347 766 Q HA 0.313 4.652 4.340 -0.001 0.000 0.271 766 Q C -1.495 174.292 176.000 -0.356 0.000 1.064 766 Q CA -0.870 54.726 55.803 -0.344 0.000 0.800 766 Q CB 2.127 30.769 28.738 -0.160 0.000 1.304 766 Q HN 0.643 nan 8.270 nan 0.000 0.438 767 T N 4.391 118.830 114.554 -0.192 0.000 2.791 767 T HA 0.540 4.889 4.350 -0.001 0.000 0.288 767 T C -0.480 174.248 174.700 0.047 0.000 0.999 767 T CA -0.336 61.769 62.100 0.007 0.000 0.952 767 T CB 0.325 69.359 68.868 0.277 0.000 0.938 767 T HN 0.442 nan 8.240 nan 0.000 0.444 768 I N 3.680 124.290 120.570 0.068 0.000 2.404 768 I HA 0.501 4.670 4.170 -0.001 0.000 0.293 768 I C -0.243 175.929 176.117 0.091 0.000 0.992 768 I CA -0.789 60.550 61.300 0.065 0.000 1.149 768 I CB 1.751 39.779 38.000 0.047 0.000 1.315 768 I HN 0.389 nan 8.210 nan 0.000 0.446 769 M N 5.899 125.554 119.600 0.091 0.000 2.253 769 M HA 0.481 4.960 4.480 -0.001 0.000 0.314 769 M C 0.175 176.518 176.300 0.071 0.000 1.019 769 M CA -0.344 55.012 55.300 0.093 0.000 0.932 769 M CB 2.172 34.842 32.600 0.117 0.000 1.606 769 M HN 0.474 nan 8.290 nan 0.000 0.430 770 R N 1.142 121.678 120.500 0.059 0.000 2.565 770 R HA 0.357 4.697 4.340 -0.001 0.000 0.347 770 R C 0.818 177.146 176.300 0.046 0.000 1.010 770 R CA 0.257 56.386 56.100 0.048 0.000 1.126 770 R CB 1.035 31.356 30.300 0.034 0.000 1.331 770 R HN 1.153 nan 8.270 nan 0.000 0.552 771 G N -0.575 108.255 108.800 0.050 0.000 2.284 771 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.201 771 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.201 771 G C 0.313 175.234 174.900 0.036 0.000 0.998 771 G CA -0.364 44.762 45.100 0.043 0.000 0.651 771 G HN 0.519 nan 8.290 nan 0.000 0.489 772 G N 0.042 108.863 108.800 0.035 0.000 3.264 772 G HA2 0.780 4.739 3.960 -0.001 0.000 0.168 772 G HA3 0.780 4.739 3.960 -0.001 0.000 0.168 772 G C 0.418 175.337 174.900 0.032 0.000 1.145 772 G CA 0.537 45.653 45.100 0.027 0.000 0.855 772 G HN 1.521 nan 8.290 nan 0.000 0.629 773 A N 1.542 124.378 122.820 0.027 0.000 2.511 773 A HA 0.547 4.867 4.320 -0.001 0.000 0.242 773 A C -1.784 175.835 177.584 0.058 0.000 1.069 773 A CA -0.518 51.541 52.037 0.036 0.000 0.763 773 A CB -0.367 18.652 19.000 0.030 0.000 1.001 773 A HN 0.375 nan 8.150 nan 0.000 0.498 774 P HA 0.172 nan 4.420 nan 0.000 0.272 774 P C -0.522 176.847 177.300 0.114 0.000 1.240 774 P CA -0.202 62.961 63.100 0.105 0.000 0.791 774 P CB 0.681 32.465 31.700 0.139 0.000 0.978 775 E N 0.996 121.263 120.200 0.111 0.000 2.171 775 E HA 0.418 4.767 4.350 -0.001 0.000 0.271 775 E C -0.873 175.803 176.600 0.127 0.000 0.916 775 E CA -0.721 55.748 56.400 0.115 0.000 0.774 775 E CB 0.651 30.395 29.700 0.073 0.000 1.128 775 E HN 0.200 nan 8.360 nan 0.000 0.403 776 I N 3.977 124.656 120.570 0.181 0.000 2.441 776 I HA 0.432 4.601 4.170 -0.001 0.000 0.295 776 I C -0.054 176.185 176.117 0.203 0.000 0.994 776 I CA -0.643 60.742 61.300 0.141 0.000 1.144 776 I CB 1.339 39.430 38.000 0.151 0.000 1.314 776 I HN 0.580 nan 8.210 nan 0.000 0.445 777 R N 4.510 125.059 120.500 0.082 0.000 2.561 777 R HA 0.493 4.832 4.340 -0.001 0.000 0.297 777 R C -0.963 175.392 176.300 0.092 0.000 0.969 777 R CA -0.847 55.315 56.100 0.104 0.000 0.879 777 R CB 2.058 32.375 30.300 0.029 0.000 1.178 777 R HN 0.470 nan 8.270 nan 0.000 0.445 778 N N 2.638 121.452 118.700 0.190 0.000 2.443 778 N HA 0.203 4.942 4.740 -0.001 0.000 0.269 778 N C -1.297 174.233 175.510 0.034 0.000 0.985 778 N CA -0.693 52.447 53.050 0.149 0.000 0.921 778 N CB 1.897 40.575 38.487 0.319 0.000 1.195 778 N HN 0.316 nan 8.380 nan 0.000 0.492 779 L N 3.673 124.856 121.223 -0.065 0.000 2.282 779 L HA 0.382 4.721 4.340 -0.001 0.000 0.287 779 L C -1.001 175.804 176.870 -0.108 0.000 1.075 779 L CA -0.492 54.290 54.840 -0.096 0.000 0.839 779 L CB 0.509 42.501 42.059 -0.111 0.000 1.219 779 L HN 0.214 nan 8.230 nan 0.000 0.434 780 V N 4.547 124.400 119.914 -0.101 0.000 2.350 780 V HA 0.379 4.499 4.120 -0.001 0.000 0.276 780 V C -0.451 175.606 176.094 -0.062 0.000 1.028 780 V CA -0.492 61.764 62.300 -0.075 0.000 0.860 780 V CB 1.265 33.074 31.823 -0.024 0.000 0.990 780 V HN 0.681 nan 8.190 nan 0.000 0.453 781 D N 4.023 124.387 120.400 -0.060 0.000 2.375 781 D HA 0.257 4.897 4.640 -0.001 0.000 0.259 781 D C 0.564 176.842 176.300 -0.037 0.000 1.235 781 D CA -0.418 53.557 54.000 -0.042 0.000 0.924 781 D CB 1.336 42.108 40.800 -0.046 0.000 1.143 781 D HN 0.472 nan 8.370 nan 0.000 0.529 782 I N 2.345 122.908 120.570 -0.010 0.000 3.083 782 I HA 0.038 4.207 4.170 -0.001 0.000 0.273 782 I C 1.378 177.490 176.117 -0.008 0.000 1.297 782 I CA 1.119 62.418 61.300 -0.001 0.000 1.452 782 I CB -0.256 37.763 38.000 0.031 0.000 1.078 782 I HN 0.607 nan 8.210 nan 0.000 0.484 783 G N 0.883 109.674 108.800 -0.014 0.000 2.611 783 G HA2 -0.443 3.517 3.960 -0.001 0.000 0.301 783 G HA3 -0.443 3.517 3.960 -0.001 0.000 0.301 783 G C 0.565 175.464 174.900 -0.002 0.000 1.233 783 G CA 0.531 45.621 45.100 -0.016 0.000 0.993 783 G HN 0.718 nan 8.290 nan 0.000 0.553 784 S N -0.124 115.573 115.700 -0.004 0.000 2.561 784 S HA 0.554 5.023 4.470 -0.001 0.000 0.245 784 S C 0.698 175.304 174.600 0.010 0.000 1.001 784 S CA -0.048 58.156 58.200 0.006 0.000 1.002 784 S CB 0.053 63.258 63.200 0.007 0.000 0.805 784 S HN 0.678 nan 8.310 nan 0.000 0.458 785 L N 3.213 124.442 121.223 0.009 0.000 2.536 785 L HA 0.250 4.589 4.340 -0.001 0.000 0.282 785 L C -0.226 176.660 176.870 0.028 0.000 1.147 785 L CA -0.164 54.686 54.840 0.016 0.000 0.936 785 L CB -0.243 41.825 42.059 0.014 0.000 1.279 785 L HN 0.262 nan 8.230 nan 0.000 0.461 786 D N 3.495 123.911 120.400 0.028 0.000 2.344 786 D HA 0.033 4.673 4.640 -0.001 0.000 0.244 786 D C 0.576 176.901 176.300 0.041 0.000 1.134 786 D CA -0.182 53.838 54.000 0.034 0.000 0.930 786 D CB 0.595 41.413 40.800 0.030 0.000 1.175 786 D HN 0.365 nan 8.370 nan 0.000 0.437 787 N N 0.339 119.067 118.700 0.047 0.000 2.714 787 N HA -0.161 4.579 4.740 -0.001 0.000 0.253 787 N C -0.895 174.659 175.510 0.072 0.000 1.024 787 N CA 0.879 53.963 53.050 0.057 0.000 0.726 787 N CB -1.083 37.433 38.487 0.048 0.000 0.908 787 N HN 0.334 nan 8.380 nan 0.000 0.542 788 T N 0.516 115.117 114.554 0.078 0.000 2.916 788 T HA 0.395 4.744 4.350 -0.001 0.000 0.298 788 T C -0.300 174.465 174.700 0.109 0.000 1.031 788 T CA -0.707 61.450 62.100 0.094 0.000 0.993 788 T CB 2.301 71.211 68.868 0.069 0.000 1.045 788 T HN 0.031 nan 8.240 nan 0.000 0.454 789 E N 2.534 122.828 120.200 0.157 0.000 2.191 789 E HA 0.449 4.798 4.350 -0.001 0.000 0.263 789 E C -0.733 175.983 176.600 0.194 0.000 0.881 789 E CA -0.635 55.856 56.400 0.153 0.000 0.757 789 E CB 2.263 32.032 29.700 0.114 0.000 1.147 789 E HN 0.490 nan 8.360 nan 0.000 0.414 790 I N 2.826 123.495 120.570 0.164 0.000 2.331 790 I HA 0.233 4.403 4.170 -0.001 0.000 0.292 790 I C -0.216 176.034 176.117 0.223 0.000 0.998 790 I CA -0.786 60.623 61.300 0.181 0.000 1.267 790 I CB 1.389 39.484 38.000 0.158 0.000 1.386 790 I HN 0.201 nan 8.210 nan 0.000 0.476 791 V N 8.064 128.110 119.914 0.219 0.000 2.628 791 V HA 0.510 4.630 4.120 -0.001 0.000 0.306 791 V C -0.487 175.637 176.094 0.051 0.000 1.045 791 V CA -0.739 61.676 62.300 0.191 0.000 0.905 791 V CB 2.023 34.019 31.823 0.288 0.000 0.997 791 V HN 0.762 nan 8.190 nan 0.000 0.436 792 M N 7.257 126.813 119.600 -0.075 0.000 2.149 792 M HA 0.572 5.051 4.480 -0.001 0.000 0.342 792 M C -0.585 175.565 176.300 -0.250 0.000 1.068 792 M CA -0.420 54.608 55.300 -0.453 0.000 0.991 792 M CB 0.611 32.905 32.600 -0.510 0.000 1.596 792 M HN 0.759 nan 8.290 nan 0.000 0.439 793 R N 4.612 124.951 120.500 -0.268 0.000 2.711 793 R HA 0.715 5.054 4.340 -0.001 0.000 0.284 793 R C -1.943 174.258 176.300 -0.164 0.000 0.968 793 R CA -0.637 55.370 56.100 -0.155 0.000 0.924 793 R CB 1.538 31.762 30.300 -0.127 0.000 1.162 793 R HN 0.817 nan 8.270 nan 0.000 0.465 794 L N 3.182 124.292 121.223 -0.188 0.000 2.313 794 L HA 0.425 4.765 4.340 -0.001 0.000 0.283 794 L C -0.591 176.161 176.870 -0.196 0.000 1.013 794 L CA -0.444 54.213 54.840 -0.306 0.000 0.816 794 L CB 1.980 43.813 42.059 -0.377 0.000 1.236 794 L HN 0.621 nan 8.230 nan 0.000 0.419 795 E N 2.153 122.252 120.200 -0.170 0.000 2.158 795 E HA 0.521 4.870 4.350 -0.001 0.000 0.271 795 E C -0.623 175.911 176.600 -0.111 0.000 0.911 795 E CA -0.476 55.870 56.400 -0.089 0.000 0.767 795 E CB 2.200 31.891 29.700 -0.015 0.000 1.120 795 E HN 0.612 nan 8.360 nan 0.000 0.405 796 T N -1.325 113.171 114.554 -0.095 0.000 2.804 796 T HA 0.314 4.663 4.350 -0.001 0.000 0.290 796 T C 0.164 174.843 174.700 -0.034 0.000 1.099 796 T CA -0.665 61.357 62.100 -0.129 0.000 1.011 796 T CB 1.152 69.965 68.868 -0.091 0.000 1.291 796 T HN 0.582 nan 8.240 nan 0.000 0.523 797 H N -0.864 118.195 119.070 -0.018 0.000 2.586 797 H HA 0.425 4.981 4.556 -0.001 0.000 0.273 797 H C 0.263 175.589 175.328 -0.003 0.000 0.997 797 H CA -0.529 55.514 56.048 -0.009 0.000 1.177 797 H CB 0.143 29.899 29.762 -0.010 0.000 1.471 797 H HN 0.349 nan 8.280 nan 0.000 0.538 798 I N 1.830 122.468 120.570 0.113 0.000 2.752 798 I HA -0.149 4.020 4.170 -0.001 0.000 0.289 798 I C 0.500 176.661 176.117 0.074 0.000 1.197 798 I CA 0.429 61.775 61.300 0.076 0.000 1.432 798 I CB 0.372 38.405 38.000 0.055 0.000 1.359 798 I HN 0.180 nan 8.210 nan 0.000 0.571 799 D N 4.861 125.299 120.400 0.064 0.000 2.713 799 D HA 0.044 4.684 4.640 -0.001 0.000 0.229 799 D C 1.193 177.533 176.300 0.066 0.000 1.136 799 D CA -0.045 53.988 54.000 0.055 0.000 1.010 799 D CB 0.369 41.192 40.800 0.039 0.000 1.084 799 D HN 0.553 nan 8.370 nan 0.000 0.495 800 S N 0.346 116.092 115.700 0.077 0.000 2.501 800 S HA 0.254 4.723 4.470 -0.001 0.000 0.220 800 S C 1.571 176.224 174.600 0.089 0.000 0.997 800 S CA 0.329 58.589 58.200 0.100 0.000 0.919 800 S CB -0.072 63.200 63.200 0.120 0.000 0.778 800 S HN 0.519 nan 8.310 nan 0.000 0.523 801 G N 3.186 112.027 108.800 0.069 0.000 2.574 801 G HA2 -0.389 3.571 3.960 -0.001 0.000 0.301 801 G HA3 -0.389 3.571 3.960 -0.001 0.000 0.301 801 G C 0.146 175.089 174.900 0.073 0.000 1.166 801 G CA 0.596 45.733 45.100 0.061 0.000 0.971 801 G HN 0.771 nan 8.290 nan 0.000 0.542 802 D N 0.112 120.559 120.400 0.079 0.000 2.440 802 D HA 0.350 4.989 4.640 -0.001 0.000 0.216 802 D C 0.690 177.076 176.300 0.144 0.000 1.150 802 D CA -0.226 53.839 54.000 0.108 0.000 0.832 802 D CB 0.282 41.131 40.800 0.081 0.000 0.992 802 D HN 0.461 nan 8.370 nan 0.000 0.502 803 I N 1.499 122.138 120.570 0.116 0.000 2.437 803 I HA 0.503 4.672 4.170 -0.001 0.000 0.298 803 I C -0.249 175.960 176.117 0.153 0.000 0.984 803 I CA -1.040 60.277 61.300 0.028 0.000 1.214 803 I CB 0.615 38.598 38.000 -0.029 0.000 1.365 803 I HN -0.033 nan 8.210 nan 0.000 0.469 804 F N 4.427 124.197 119.950 -0.301 0.000 2.745 804 F HA 0.688 5.214 4.527 -0.001 0.000 0.316 804 F C -2.051 173.390 175.800 -0.599 0.000 1.155 804 F CA -1.453 56.393 58.000 -0.257 0.000 0.937 804 F CB 1.188 40.110 39.000 -0.130 0.000 1.361 804 F HN 0.188 nan 8.300 nan 0.000 0.472 805 Y N 0.009 120.084 120.300 -0.374 0.000 2.442 805 Y HA 0.681 5.231 4.550 -0.001 0.000 0.344 805 Y C -0.013 175.708 175.900 -0.298 0.000 0.976 805 Y CA -0.688 57.049 58.100 -0.605 0.000 1.040 805 Y CB 2.466 40.117 38.460 -1.348 0.000 1.228 805 Y HN 0.901 nan 8.280 nan 0.000 0.451 806 T N -1.366 113.107 114.554 -0.135 0.000 2.896 806 T HA 0.487 4.837 4.350 -0.001 0.000 0.297 806 T C -1.130 173.381 174.700 -0.314 0.000 1.108 806 T CA -1.072 60.971 62.100 -0.094 0.000 1.004 806 T CB 2.075 70.864 68.868 -0.131 0.000 1.159 806 T HN 0.579 nan 8.240 nan 0.000 0.499 807 D N 1.096 121.162 120.400 -0.557 0.000 2.332 807 D HA 0.377 5.016 4.640 -0.001 0.000 0.252 807 D C -0.613 175.416 176.300 -0.452 0.000 1.050 807 D CA -0.822 52.661 54.000 -0.861 0.000 0.970 807 D CB 1.319 41.350 40.800 -1.282 0.000 1.141 807 D HN 0.559 nan 8.370 nan 0.000 0.485 808 L N 1.008 122.005 121.223 -0.376 0.000 2.294 808 L HA 0.218 4.558 4.340 -0.001 0.000 0.283 808 L C -0.107 176.639 176.870 -0.206 0.000 1.015 808 L CA -0.792 53.921 54.840 -0.211 0.000 0.831 808 L CB 0.416 42.415 42.059 -0.100 0.000 1.217 808 L HN 0.451 nan 8.230 nan 0.000 0.420 809 N N 2.137 120.723 118.700 -0.190 0.000 2.693 809 N HA -0.234 4.506 4.740 -0.001 0.000 0.249 809 N C 0.990 176.289 175.510 -0.352 0.000 1.119 809 N CA 0.897 53.832 53.050 -0.192 0.000 0.717 809 N CB -1.068 37.384 38.487 -0.057 0.000 1.071 809 N HN 1.077 nan 8.380 nan 0.000 0.555 810 G N -1.635 106.960 108.800 -0.342 0.000 2.166 810 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.260 810 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.260 810 G C 0.629 175.508 174.900 -0.034 0.000 0.986 810 G CA 0.690 45.618 45.100 -0.286 0.000 0.683 810 G HN 0.495 nan 8.290 nan 0.000 0.527 811 L N -0.414 120.727 121.223 -0.137 0.000 2.467 811 L HA 0.499 4.838 4.340 -0.001 0.000 0.213 811 L C 0.983 177.730 176.870 -0.204 0.000 1.053 811 L CA 1.926 56.595 54.840 -0.285 0.000 0.847 811 L CB 0.160 41.902 42.059 -0.528 0.000 1.075 811 L HN 0.701 nan 8.230 nan 0.000 0.479 812 Q N -1.793 117.892 119.800 -0.192 0.000 2.522 812 Q HA 0.347 4.687 4.340 -0.001 0.000 0.285 812 Q C -1.684 174.195 176.000 -0.201 0.000 0.982 812 Q CA -0.744 55.010 55.803 -0.082 0.000 0.805 812 Q CB 1.079 29.829 28.738 0.020 0.000 1.457 812 Q HN -0.044 nan 8.270 nan 0.000 0.394 813 F N 1.309 121.214 119.950 -0.074 0.000 2.436 813 F HA 0.601 5.127 4.527 -0.001 0.000 0.340 813 F C -0.138 175.622 175.800 -0.067 0.000 1.113 813 F CA -0.843 57.124 58.000 -0.056 0.000 1.022 813 F CB 1.660 40.671 39.000 0.018 0.000 1.128 813 F HN 0.538 nan 8.300 nan 0.000 0.466 814 I N 3.709 124.271 120.570 -0.014 0.000 2.474 814 I HA 0.339 4.508 4.170 -0.001 0.000 0.294 814 I C -0.503 175.471 176.117 -0.238 0.000 1.005 814 I CA -0.880 60.367 61.300 -0.088 0.000 1.113 814 I CB 1.296 39.196 38.000 -0.166 0.000 1.289 814 I HN 0.509 nan 8.210 nan 0.000 0.436 815 K N 6.692 126.914 120.400 -0.296 0.000 2.368 815 K HA 0.268 4.588 4.320 -0.001 0.000 0.282 815 K C -0.852 175.296 176.600 -0.753 0.000 1.035 815 K CA -0.362 55.468 56.287 -0.760 0.000 0.973 815 K CB 0.527 32.729 32.500 -0.498 0.000 0.957 815 K HN 0.508 nan 8.250 nan 0.000 0.474 816 R N 3.274 123.144 120.500 -1.051 0.000 2.664 816 R HA 0.346 4.686 4.340 -0.001 0.000 0.286 816 R C -0.521 175.284 176.300 -0.825 0.000 0.967 816 R CA -0.794 54.627 56.100 -1.131 0.000 0.933 816 R CB 1.562 30.642 30.300 -2.033 0.000 1.146 816 R HN 0.671 nan 8.270 nan 0.000 0.468 817 R N 1.548 121.782 120.500 -0.443 0.000 2.476 817 R HA 0.286 4.625 4.340 -0.001 0.000 0.305 817 R C -0.496 175.845 176.300 0.068 0.000 0.965 817 R CA -0.682 55.332 56.100 -0.144 0.000 0.867 817 R CB 1.522 31.776 30.300 -0.077 0.000 1.176 817 R HN 0.562 nan 8.270 nan 0.000 0.447 818 R N 5.178 125.825 120.500 0.245 0.000 2.449 818 R HA 0.123 4.463 4.340 -0.001 0.000 0.296 818 R C -1.009 175.379 176.300 0.145 0.000 1.047 818 R CA 0.148 56.429 56.100 0.301 0.000 1.018 818 R CB 0.396 30.862 30.300 0.277 0.000 0.962 818 R HN 0.547 nan 8.270 nan 0.000 0.428 819 L N 5.168 126.455 121.223 0.106 0.000 2.316 819 L HA 0.223 4.562 4.340 -0.001 0.000 0.280 819 L C 0.148 177.012 176.870 -0.010 0.000 1.006 819 L CA -0.716 54.141 54.840 0.029 0.000 0.836 819 L CB 1.914 43.961 42.059 -0.022 0.000 1.221 819 L HN 0.678 nan 8.230 nan 0.000 0.418 820 D N 1.632 122.034 120.400 0.003 0.000 2.348 820 D HA -0.120 4.519 4.640 -0.001 0.000 0.216 820 D C 1.735 178.018 176.300 -0.028 0.000 0.970 820 D CA 0.827 54.823 54.000 -0.007 0.000 0.889 820 D CB 0.354 41.159 40.800 0.009 0.000 0.912 820 D HN 0.552 nan 8.370 nan 0.000 0.524 821 K N 0.196 120.571 120.400 -0.042 0.000 2.486 821 K HA 0.011 4.330 4.320 -0.001 0.000 0.194 821 K C 0.656 177.195 176.600 -0.103 0.000 1.033 821 K CA 0.331 56.589 56.287 -0.048 0.000 1.004 821 K CB 0.327 32.812 32.500 -0.024 0.000 0.798 821 K HN 0.110 nan 8.250 nan 0.000 0.495 822 L N 2.143 123.267 121.223 -0.165 0.000 2.322 822 L HA 0.464 4.804 4.340 -0.001 0.000 0.269 822 L C -2.261 174.503 176.870 -0.177 0.000 1.012 822 L CA -2.936 51.764 54.840 -0.232 0.000 0.815 822 L CB 1.457 43.278 42.059 -0.398 0.000 1.295 822 L HN -0.049 nan 8.230 nan 0.000 0.438 823 P HA 0.038 nan 4.420 nan 0.000 0.272 823 P C 0.840 178.011 177.300 -0.215 0.000 1.240 823 P CA -0.385 62.616 63.100 -0.166 0.000 0.791 823 P CB 1.209 32.835 31.700 -0.122 0.000 0.978 824 L N 1.013 122.140 121.223 -0.161 0.000 2.021 824 L HA -0.288 4.051 4.340 -0.001 0.000 0.215 824 L C 2.498 179.272 176.870 -0.161 0.000 1.074 824 L CA 1.990 56.755 54.840 -0.124 0.000 0.760 824 L CB -0.647 41.340 42.059 -0.120 0.000 0.889 824 L HN 0.440 nan 8.230 nan 0.000 0.433 825 Q N -0.238 119.356 119.800 -0.344 0.000 2.291 825 Q HA -0.184 4.155 4.340 -0.001 0.000 0.206 825 Q C 1.864 177.756 176.000 -0.180 0.000 0.976 825 Q CA 1.570 57.206 55.803 -0.279 0.000 0.875 825 Q CB -0.562 27.936 28.738 -0.401 0.000 0.927 825 Q HN 0.619 nan 8.270 nan 0.000 0.450 826 A N 1.435 123.937 122.820 -0.531 0.000 2.067 826 A HA -0.044 4.276 4.320 -0.001 0.000 0.217 826 A C 1.628 179.027 177.584 -0.309 0.000 1.156 826 A CA 0.763 52.336 52.037 -0.774 0.000 0.683 826 A CB -0.192 17.996 19.000 -1.353 0.000 0.808 826 A HN 0.351 nan 8.150 nan 0.000 0.455 827 N N -1.167 117.465 118.700 -0.114 0.000 2.398 827 N HA 0.049 4.788 4.740 -0.001 0.000 0.188 827 N C -0.851 174.752 175.510 0.154 0.000 1.122 827 N CA 0.225 53.327 53.050 0.086 0.000 0.866 827 N CB 0.038 38.624 38.487 0.164 0.000 0.970 827 N HN 0.459 nan 8.380 nan 0.000 0.462 828 Y N 0.284 120.533 120.300 -0.085 0.000 2.304 828 Y HA 0.210 4.760 4.550 -0.001 0.000 0.328 828 Y C -0.232 175.605 175.900 -0.106 0.000 1.123 828 Y CA -0.189 57.945 58.100 0.057 0.000 1.218 828 Y CB 0.384 38.950 38.460 0.177 0.000 1.207 828 Y HN -0.069 nan 8.280 nan 0.000 0.495 829 Y N 3.412 123.843 120.300 0.218 0.000 2.605 829 Y HA 0.457 5.006 4.550 -0.001 0.000 0.343 829 Y C -2.316 173.300 175.900 -0.474 0.000 1.036 829 Y CA -2.939 55.155 58.100 -0.010 0.000 1.065 829 Y CB 1.509 39.952 38.460 -0.029 0.000 1.288 829 Y HN 0.452 nan 8.280 nan 0.000 0.481 830 P HA 0.122 nan 4.420 nan 0.000 0.271 830 P C -0.687 176.369 177.300 -0.407 0.000 1.216 830 P CA 0.244 62.751 63.100 -0.988 0.000 0.771 830 P CB 0.499 31.524 31.700 -1.125 0.000 0.864 831 I N 5.451 125.866 120.570 -0.259 0.000 2.620 831 I HA 0.165 4.335 4.170 -0.001 0.000 0.280 831 I C -1.633 174.410 176.117 -0.123 0.000 1.143 831 I CA -2.477 58.744 61.300 -0.133 0.000 1.163 831 I CB 0.815 38.793 38.000 -0.036 0.000 1.461 831 I HN 0.218 nan 8.210 nan 0.000 0.530 832 P HA -0.048 nan 4.420 nan 0.000 0.222 832 P C 0.972 178.239 177.300 -0.055 0.000 1.153 832 P CA 1.115 64.141 63.100 -0.124 0.000 0.798 832 P CB 0.637 32.233 31.700 -0.172 0.000 0.796 833 S N -3.384 112.289 115.700 -0.045 0.000 2.551 833 S HA 0.457 4.927 4.470 -0.001 0.000 0.276 833 S C 0.545 175.232 174.600 0.146 0.000 1.051 833 S CA 0.309 58.539 58.200 0.051 0.000 1.377 833 S CB 0.323 63.575 63.200 0.086 0.000 1.208 833 S HN 0.330 nan 8.310 nan 0.000 0.656 834 G N 1.557 110.445 108.800 0.148 0.000 2.466 834 G HA2 0.556 4.516 3.960 -0.001 0.000 0.291 834 G HA3 0.556 4.516 3.960 -0.001 0.000 0.291 834 G C -1.478 173.674 174.900 0.420 0.000 1.460 834 G CA -0.434 44.882 45.100 0.359 0.000 0.791 834 G HN 0.883 nan 8.290 nan 0.000 0.505 835 M N -0.599 119.264 119.600 0.439 0.000 2.578 835 M HA 0.895 5.374 4.480 -0.001 0.000 0.276 835 M C -1.712 174.828 176.300 0.399 0.000 1.245 835 M CA -1.025 54.494 55.300 0.364 0.000 0.871 835 M CB 2.557 35.281 32.600 0.207 0.000 1.722 835 M HN 1.225 nan 8.290 nan 0.000 0.473 836 F N 0.822 120.920 119.950 0.248 0.000 2.693 836 F HA 0.899 5.426 4.527 -0.001 0.000 0.309 836 F C -1.870 174.067 175.800 0.228 0.000 1.129 836 F CA -1.209 56.876 58.000 0.141 0.000 0.948 836 F CB 1.088 40.083 39.000 -0.007 0.000 1.315 836 F HN 0.781 nan 8.300 nan 0.000 0.447 837 I N -0.128 120.693 120.570 0.418 0.000 2.785 837 I HA 0.898 5.067 4.170 -0.001 0.000 0.302 837 I C -1.395 174.912 176.117 0.315 0.000 1.069 837 I CA -0.906 60.597 61.300 0.338 0.000 1.045 837 I CB 2.415 40.524 38.000 0.183 0.000 1.236 837 I HN 0.949 nan 8.210 nan 0.000 0.429 838 E N 2.028 122.397 120.200 0.281 0.000 2.423 838 E HA 0.557 4.906 4.350 -0.001 0.000 0.280 838 E C -2.067 174.617 176.600 0.141 0.000 1.030 838 E CA -0.853 55.653 56.400 0.175 0.000 0.812 838 E CB 2.195 31.986 29.700 0.152 0.000 1.313 838 E HN 0.736 nan 8.360 nan 0.000 0.456 839 D N 0.433 120.885 120.400 0.086 0.000 2.784 839 D HA 0.470 5.109 4.640 -0.001 0.000 0.256 839 D C 0.850 177.179 176.300 0.048 0.000 1.129 839 D CA -0.201 53.842 54.000 0.071 0.000 1.102 839 D CB 0.059 40.893 40.800 0.056 0.000 1.330 839 D HN 0.452 nan 8.370 nan 0.000 0.626 840 A N -0.717 122.124 122.820 0.036 0.000 1.972 840 A HA -0.155 4.164 4.320 -0.001 0.000 0.219 840 A C 1.488 179.076 177.584 0.007 0.000 1.169 840 A CA 1.534 53.584 52.037 0.022 0.000 0.635 840 A CB -0.716 18.295 19.000 0.018 0.000 0.810 840 A HN 0.511 nan 8.150 nan 0.000 0.446 841 N N -1.749 116.954 118.700 0.006 0.000 2.397 841 N HA 0.075 4.815 4.740 -0.001 0.000 0.190 841 N C -0.414 175.087 175.510 -0.016 0.000 1.099 841 N CA 0.693 53.739 53.050 -0.007 0.000 0.876 841 N CB 0.656 39.141 38.487 -0.004 0.000 1.143 841 N HN 0.300 nan 8.380 nan 0.000 0.468 842 T N 0.512 115.062 114.554 -0.007 0.000 2.893 842 T HA 0.463 4.813 4.350 -0.001 0.000 0.293 842 T C -0.595 174.098 174.700 -0.012 0.000 1.027 842 T CA -0.643 61.447 62.100 -0.016 0.000 0.988 842 T CB 2.839 71.705 68.868 -0.003 0.000 1.043 842 T HN -0.051 nan 8.240 nan 0.000 0.461 843 R N 1.859 122.334 120.500 -0.041 0.000 2.686 843 R HA 0.720 5.059 4.340 -0.001 0.000 0.283 843 R C -1.976 174.299 176.300 -0.042 0.000 0.978 843 R CA -0.884 55.190 56.100 -0.042 0.000 0.897 843 R CB 1.300 31.507 30.300 -0.154 0.000 1.192 843 R HN 0.451 nan 8.270 nan 0.000 0.457 844 L N 2.689 123.917 121.223 0.009 0.000 2.349 844 L HA 0.514 4.854 4.340 -0.001 0.000 0.278 844 L C -1.314 175.592 176.870 0.060 0.000 0.996 844 L CA 0.094 54.933 54.840 -0.002 0.000 0.825 844 L CB 2.259 44.307 42.059 -0.019 0.000 1.243 844 L HN 0.641 nan 8.230 nan 0.000 0.412 845 T N 5.662 120.230 114.554 0.024 0.000 2.807 845 T HA 0.564 4.914 4.350 -0.001 0.000 0.279 845 T C -1.101 173.658 174.700 0.100 0.000 0.993 845 T CA -0.282 61.872 62.100 0.090 0.000 0.970 845 T CB 1.444 70.296 68.868 -0.026 0.000 0.950 845 T HN 0.456 nan 8.240 nan 0.000 0.441 846 L N 5.080 126.399 121.223 0.160 0.000 2.294 846 L HA 0.529 4.868 4.340 -0.001 0.000 0.283 846 L C -1.288 175.724 176.870 0.236 0.000 1.015 846 L CA -0.704 54.241 54.840 0.174 0.000 0.831 846 L CB 0.493 42.635 42.059 0.139 0.000 1.217 846 L HN 0.411 nan 8.230 nan 0.000 0.420 847 L N 4.076 125.439 121.223 0.234 0.000 2.343 847 L HA 0.642 4.981 4.340 -0.001 0.000 0.275 847 L C 0.364 177.378 176.870 0.239 0.000 1.056 847 L CA -0.177 54.799 54.840 0.226 0.000 0.804 847 L CB 1.447 43.605 42.059 0.166 0.000 1.203 847 L HN 0.610 nan 8.230 nan 0.000 0.440 848 T N 0.287 114.935 114.554 0.157 0.000 2.924 848 T HA 0.529 4.878 4.350 -0.001 0.000 0.291 848 T C 0.781 175.441 174.700 -0.067 0.000 1.045 848 T CA -0.323 61.784 62.100 0.011 0.000 1.015 848 T CB 1.949 70.846 68.868 0.048 0.000 1.103 848 T HN 0.757 nan 8.240 nan 0.000 0.496 849 G N 1.000 109.684 108.800 -0.193 0.000 3.337 849 G HA2 0.374 4.334 3.960 -0.001 0.000 0.246 849 G HA3 0.374 4.334 3.960 -0.001 0.000 0.246 849 G C 0.046 174.881 174.900 -0.108 0.000 1.131 849 G CA -0.315 44.707 45.100 -0.130 0.000 0.773 849 G HN 0.593 nan 8.290 nan 0.000 0.544 850 Q N -0.203 119.529 119.800 -0.113 0.000 2.479 850 Q HA 0.303 4.643 4.340 -0.001 0.000 0.276 850 Q C -3.554 172.411 176.000 -0.060 0.000 0.989 850 Q CA -2.217 53.548 55.803 -0.064 0.000 0.864 850 Q CB 1.876 30.593 28.738 -0.035 0.000 1.444 850 Q HN -0.005 nan 8.270 nan 0.000 0.388 851 P HA 0.484 nan 4.420 nan 0.000 0.281 851 P C -0.677 176.611 177.300 -0.020 0.000 1.252 851 P CA -0.187 62.897 63.100 -0.028 0.000 0.778 851 P CB 1.067 32.756 31.700 -0.018 0.000 0.895 852 L N 1.568 122.772 121.223 -0.030 0.000 2.403 852 L HA 0.680 5.020 4.340 -0.001 0.000 0.253 852 L C 0.750 177.634 176.870 0.023 0.000 1.045 852 L CA -1.118 53.727 54.840 0.009 0.000 0.845 852 L CB 2.084 44.135 42.059 -0.013 0.000 1.447 852 L HN 0.343 nan 8.230 nan 0.000 0.411 853 G N -1.014 107.853 108.800 0.112 0.000 2.425 853 G HA2 0.684 4.644 3.960 -0.001 0.000 0.302 853 G HA3 0.684 4.644 3.960 -0.001 0.000 0.302 853 G C -0.536 174.370 174.900 0.011 0.000 1.159 853 G CA 0.080 45.291 45.100 0.185 0.000 0.865 853 G HN 0.868 nan 8.290 nan 0.000 0.515 854 G N -1.492 107.124 108.800 -0.306 0.000 2.550 854 G HA2 0.680 4.639 3.960 -0.001 0.000 0.293 854 G HA3 0.680 4.639 3.960 -0.001 0.000 0.293 854 G C -1.175 173.270 174.900 -0.758 0.000 1.402 854 G CA 0.450 45.191 45.100 -0.598 0.000 0.784 854 G HN 1.298 nan 8.290 nan 0.000 0.482 855 S N -1.916 113.415 115.700 -0.616 0.000 2.683 855 S HA 0.719 5.189 4.470 -0.001 0.000 0.269 855 S C -1.589 172.559 174.600 -0.752 0.000 1.165 855 S CA 0.339 58.172 58.200 -0.611 0.000 0.840 855 S CB 1.272 64.190 63.200 -0.470 0.000 1.169 855 S HN 1.566 nan 8.310 nan 0.000 0.490 856 S N 1.607 116.574 115.700 -1.223 0.000 2.745 856 S HA 0.489 4.958 4.470 -0.001 0.000 0.283 856 S C 0.172 174.510 174.600 -0.436 0.000 1.170 856 S CA -0.639 57.103 58.200 -0.763 0.000 1.119 856 S CB 0.025 62.691 63.200 -0.889 0.000 1.035 856 S HN 0.575 nan 8.310 nan 0.000 0.483 857 L N 3.089 124.202 121.223 -0.183 0.000 2.558 857 L HA 0.483 4.822 4.340 -0.001 0.000 0.225 857 L C 0.883 177.743 176.870 -0.017 0.000 1.128 857 L CA 0.280 55.094 54.840 -0.043 0.000 0.868 857 L CB 0.006 42.097 42.059 0.054 0.000 1.006 857 L HN 0.695 nan 8.230 nan 0.000 0.454 858 A N -1.193 121.604 122.820 -0.037 0.000 2.604 858 A HA 0.459 4.779 4.320 -0.001 0.000 0.295 858 A C -0.450 177.130 177.584 -0.008 0.000 1.067 858 A CA -0.434 51.599 52.037 -0.006 0.000 0.683 858 A CB 1.244 20.247 19.000 0.005 0.000 1.281 858 A HN -0.138 nan 8.150 nan 0.000 0.407 859 S N -0.136 115.574 115.700 0.018 0.000 2.558 859 S HA 0.396 4.866 4.470 -0.001 0.000 0.293 859 S C 1.531 176.147 174.600 0.027 0.000 1.292 859 S CA 1.900 60.118 58.200 0.031 0.000 1.063 859 S CB -0.044 63.179 63.200 0.039 0.000 0.831 859 S HN 2.654 nan 8.310 nan 0.000 0.499 860 G N 3.408 112.227 108.800 0.031 0.000 2.179 860 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.260 860 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.260 860 G C -0.164 174.726 174.900 -0.016 0.000 0.977 860 G CA 0.472 45.586 45.100 0.024 0.000 0.641 860 G HN 0.719 nan 8.290 nan 0.000 0.533 861 E N -0.436 119.740 120.200 -0.039 0.000 2.212 861 E HA 0.763 5.113 4.350 -0.001 0.000 0.270 861 E C -0.234 176.298 176.600 -0.113 0.000 0.956 861 E CA -0.729 55.625 56.400 -0.076 0.000 0.825 861 E CB 1.833 31.488 29.700 -0.075 0.000 1.167 861 E HN 0.245 nan 8.360 nan 0.000 0.400 862 L N 1.793 122.944 121.223 -0.119 0.000 2.401 862 L HA 0.474 4.813 4.340 -0.001 0.000 0.266 862 L C -0.633 176.162 176.870 -0.124 0.000 0.991 862 L CA -0.637 54.123 54.840 -0.133 0.000 0.818 862 L CB 2.004 44.016 42.059 -0.079 0.000 1.321 862 L HN 0.661 nan 8.230 nan 0.000 0.413 863 E N 2.938 123.058 120.200 -0.134 0.000 2.366 863 E HA 0.683 5.033 4.350 -0.001 0.000 0.278 863 E C -1.584 174.970 176.600 -0.077 0.000 0.923 863 E CA -0.825 55.530 56.400 -0.076 0.000 0.761 863 E CB 3.294 32.997 29.700 0.004 0.000 1.231 863 E HN 0.529 nan 8.360 nan 0.000 0.443 864 I N 2.403 122.962 120.570 -0.017 0.000 2.571 864 I HA 0.338 4.507 4.170 -0.001 0.000 0.289 864 I C -1.294 174.885 176.117 0.103 0.000 1.115 864 I CA -1.158 60.154 61.300 0.021 0.000 1.045 864 I CB 1.907 39.921 38.000 0.024 0.000 1.238 864 I HN 0.783 nan 8.210 nan 0.000 0.424 865 M N 6.333 126.031 119.600 0.164 0.000 2.228 865 M HA 0.204 4.683 4.480 -0.001 0.000 0.351 865 M C 0.597 176.994 176.300 0.160 0.000 1.233 865 M CA 0.638 56.043 55.300 0.175 0.000 1.129 865 M CB 0.896 33.573 32.600 0.128 0.000 1.604 865 M HN 0.581 nan 8.290 nan 0.000 0.457 866 Q N 1.463 121.391 119.800 0.214 0.000 2.287 866 Q HA 0.250 4.590 4.340 -0.001 0.000 0.201 866 Q C -0.252 175.952 176.000 0.341 0.000 0.946 866 Q CA 0.828 56.824 55.803 0.321 0.000 0.868 866 Q CB 0.376 29.333 28.738 0.365 0.000 0.967 866 Q HN 0.760 nan 8.270 nan 0.000 0.516 867 D N -0.901 119.631 120.400 0.220 0.000 2.653 867 D HA 0.278 4.918 4.640 -0.001 0.000 0.258 867 D C -1.432 174.938 176.300 0.116 0.000 1.252 867 D CA -0.482 53.624 54.000 0.177 0.000 0.777 867 D CB 1.471 42.366 40.800 0.158 0.000 1.339 867 D HN 0.039 nan 8.370 nan 0.000 0.422 868 R N 0.862 121.419 120.500 0.095 0.000 2.584 868 R HA 0.695 5.034 4.340 -0.001 0.000 0.276 868 R C -1.013 175.330 176.300 0.072 0.000 1.046 868 R CA -1.059 55.082 56.100 0.067 0.000 0.906 868 R CB 2.197 32.508 30.300 0.019 0.000 1.215 868 R HN 0.319 nan 8.270 nan 0.000 0.449 869 R N 3.798 124.338 120.500 0.067 0.000 2.451 869 R HA 0.473 4.812 4.340 -0.001 0.000 0.307 869 R C -1.473 174.861 176.300 0.056 0.000 0.965 869 R CA -0.569 55.568 56.100 0.060 0.000 0.865 869 R CB 1.292 31.624 30.300 0.053 0.000 1.174 869 R HN 0.716 nan 8.270 nan 0.000 0.455 870 L N 3.903 125.158 121.223 0.053 0.000 2.381 870 L HA 0.526 4.865 4.340 -0.001 0.000 0.274 870 L C 0.732 177.626 176.870 0.041 0.000 0.988 870 L CA -0.600 54.269 54.840 0.048 0.000 0.824 870 L CB 2.152 44.240 42.059 0.048 0.000 1.263 870 L HN 0.810 nan 8.230 nan 0.000 0.410 871 A N 1.590 124.432 122.820 0.036 0.000 2.067 871 A HA 0.145 4.465 4.320 -0.001 0.000 0.217 871 A C 0.932 178.533 177.584 0.028 0.000 1.156 871 A CA 0.625 52.680 52.037 0.031 0.000 0.683 871 A CB 0.013 19.030 19.000 0.027 0.000 0.808 871 A HN 0.613 nan 8.150 nan 0.000 0.455 872 S N 0.041 115.757 115.700 0.028 0.000 2.608 872 S HA 0.410 4.879 4.470 -0.001 0.000 0.291 872 S C -0.627 173.990 174.600 0.029 0.000 1.146 872 S CA -0.662 57.552 58.200 0.023 0.000 1.043 872 S CB 1.466 64.676 63.200 0.017 0.000 1.037 872 S HN 0.479 nan 8.310 nan 0.000 0.520 873 D N 0.499 120.916 120.400 0.028 0.000 2.341 873 D HA 0.198 4.837 4.640 -0.001 0.000 0.245 873 D C -0.097 176.219 176.300 0.027 0.000 1.106 873 D CA -0.352 53.672 54.000 0.040 0.000 0.905 873 D CB 0.673 41.494 40.800 0.035 0.000 1.202 873 D HN 0.503 nan 8.370 nan 0.000 0.426 874 D N 2.060 122.482 120.400 0.036 0.000 2.525 874 D HA 0.066 4.705 4.640 -0.001 0.000 0.229 874 D C -0.328 175.939 176.300 -0.055 0.000 1.202 874 D CA -0.282 53.709 54.000 -0.015 0.000 0.828 874 D CB -0.406 40.373 40.800 -0.035 0.000 1.008 874 D HN 0.667 nan 8.370 nan 0.000 0.493 875 E N -0.332 119.859 120.200 -0.014 0.000 2.791 875 E HA -0.218 4.132 4.350 -0.001 0.000 0.271 875 E C 0.281 176.855 176.600 -0.043 0.000 1.044 875 E CA 0.234 56.622 56.400 -0.019 0.000 0.814 875 E CB -0.755 28.928 29.700 -0.027 0.000 1.400 875 E HN 0.236 nan 8.360 nan 0.000 0.423 876 R N -0.562 119.890 120.500 -0.080 0.000 2.509 876 R HA 0.217 4.556 4.340 -0.001 0.000 0.300 876 R C 1.417 177.797 176.300 0.134 0.000 0.985 876 R CA 0.708 56.694 56.100 -0.190 0.000 1.092 876 R CB 1.014 30.780 30.300 -0.890 0.000 1.237 876 R HN 0.401 nan 8.270 nan 0.000 0.546 877 G N 0.724 109.671 108.800 0.245 0.000 2.218 877 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.216 877 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.216 877 G C 0.755 175.719 174.900 0.106 0.000 0.994 877 G CA 0.213 45.517 45.100 0.341 0.000 0.637 877 G HN 0.287 nan 8.290 nan 0.000 0.505 878 L N 1.504 122.915 121.223 0.313 0.000 2.093 878 L HA 0.439 4.778 4.340 -0.001 0.000 0.208 878 L C 2.222 179.071 176.870 -0.034 0.000 1.085 878 L CA 2.902 57.818 54.840 0.127 0.000 0.755 878 L CB -0.618 41.663 42.059 0.370 0.000 0.904 878 L HN 1.739 nan 8.230 nan 0.000 0.435 879 G N -0.594 108.220 108.800 0.022 0.000 2.160 879 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.251 879 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.251 879 G C 0.071 174.972 174.900 0.002 0.000 1.008 879 G CA 0.620 45.714 45.100 -0.010 0.000 0.724 879 G HN 0.801 nan 8.290 nan 0.000 0.514 880 Q N -2.053 117.764 119.800 0.028 0.000 2.687 880 Q HA 0.673 5.013 4.340 -0.001 0.000 0.295 880 Q C 0.360 176.386 176.000 0.044 0.000 0.920 880 Q CA -0.637 55.183 55.803 0.029 0.000 0.766 880 Q CB 0.421 29.175 28.738 0.026 0.000 1.467 880 Q HN 0.974 nan 8.270 nan 0.000 0.415 881 G N -0.059 108.764 108.800 0.039 0.000 2.510 881 G HA2 0.504 4.463 3.960 -0.001 0.000 0.280 881 G HA3 0.504 4.463 3.960 -0.001 0.000 0.280 881 G C -0.943 173.986 174.900 0.049 0.000 1.386 881 G CA -0.685 44.441 45.100 0.043 0.000 1.047 881 G HN 0.384 nan 8.290 nan 0.000 0.527 882 V N 0.892 120.836 119.914 0.051 0.000 2.284 882 V HA 0.320 4.440 4.120 -0.001 0.000 0.274 882 V C 0.121 176.251 176.094 0.060 0.000 1.023 882 V CA -0.147 62.191 62.300 0.062 0.000 0.808 882 V CB 0.784 32.647 31.823 0.067 0.000 1.035 882 V HN 0.543 nan 8.190 nan 0.000 0.445 883 L N 3.312 124.569 121.223 0.057 0.000 3.229 883 L HA 0.331 4.671 4.340 -0.001 0.000 0.286 883 L C 0.561 177.460 176.870 0.049 0.000 1.239 883 L CA 0.004 54.873 54.840 0.048 0.000 1.035 883 L CB 0.651 42.733 42.059 0.038 0.000 1.408 883 L HN 0.647 nan 8.230 nan 0.000 0.593 884 D N -2.047 118.391 120.400 0.063 0.000 2.559 884 D HA 0.050 4.689 4.640 -0.001 0.000 0.234 884 D C 0.161 176.505 176.300 0.073 0.000 1.226 884 D CA -0.417 53.621 54.000 0.064 0.000 0.830 884 D CB -0.232 40.613 40.800 0.076 0.000 1.028 884 D HN 0.063 nan 8.370 nan 0.000 0.492 885 N N 1.904 120.645 118.700 0.068 0.000 2.395 885 N HA 0.054 4.793 4.740 -0.001 0.000 0.246 885 N C 0.294 175.819 175.510 0.026 0.000 1.246 885 N CA 0.607 53.698 53.050 0.068 0.000 0.879 885 N CB 0.910 39.433 38.487 0.060 0.000 1.098 885 N HN 0.424 nan 8.380 nan 0.000 0.444 886 K N -0.008 120.396 120.400 0.008 0.000 2.512 886 K HA 0.523 4.843 4.320 -0.001 0.000 0.263 886 K C -3.256 173.327 176.600 -0.028 0.000 0.966 886 K CA -1.874 54.377 56.287 -0.060 0.000 0.851 886 K CB 1.351 33.733 32.500 -0.197 0.000 1.395 886 K HN 0.081 nan 8.250 nan 0.000 0.440 887 P HA -0.027 nan 4.420 nan 0.000 0.264 887 P C -1.050 176.274 177.300 0.040 0.000 1.183 887 P CA -0.418 62.670 63.100 -0.020 0.000 0.763 887 P CB 0.747 32.425 31.700 -0.038 0.000 0.807 888 V N 5.112 125.011 119.914 -0.024 0.000 2.841 888 V HA 0.466 4.585 4.120 -0.001 0.000 0.310 888 V C -1.362 174.602 176.094 -0.216 0.000 1.090 888 V CA -1.098 61.160 62.300 -0.071 0.000 0.930 888 V CB 2.145 33.896 31.823 -0.120 0.000 1.014 888 V HN 0.272 nan 8.190 nan 0.000 0.425 889 L N 7.034 128.156 121.223 -0.169 0.000 2.270 889 L HA 0.589 4.928 4.340 -0.001 0.000 0.286 889 L C -0.346 176.506 176.870 -0.031 0.000 1.059 889 L CA 0.167 54.945 54.840 -0.104 0.000 0.839 889 L CB 0.242 42.260 42.059 -0.069 0.000 1.221 889 L HN 0.698 nan 8.230 nan 0.000 0.431 890 H N 5.650 124.733 119.070 0.023 0.000 2.525 890 H HA 0.487 5.042 4.556 -0.001 0.000 0.339 890 H C -0.093 175.132 175.328 -0.171 0.000 1.109 890 H CA -0.227 55.778 56.048 -0.071 0.000 1.352 890 H CB 1.332 31.117 29.762 0.037 0.000 1.461 890 H HN 0.690 nan 8.280 nan 0.000 0.533 891 I N 0.156 120.555 120.570 -0.284 0.000 2.689 891 I HA 0.609 4.778 4.170 -0.001 0.000 0.299 891 I C -1.439 174.317 176.117 -0.602 0.000 1.059 891 I CA -0.937 60.207 61.300 -0.260 0.000 1.055 891 I CB 2.108 40.052 38.000 -0.093 0.000 1.243 891 I HN 0.246 nan 8.210 nan 0.000 0.425 892 Y N 2.568 122.911 120.300 0.072 0.000 2.638 892 Y HA 0.692 5.242 4.550 -0.001 0.000 0.335 892 Y C -0.640 175.308 175.900 0.079 0.000 1.155 892 Y CA -1.094 57.055 58.100 0.082 0.000 1.046 892 Y CB 1.556 40.084 38.460 0.114 0.000 1.303 892 Y HN 0.422 nan 8.280 nan 0.000 0.460 893 R N 1.398 122.055 120.500 0.262 0.000 2.686 893 R HA 0.618 4.957 4.340 -0.001 0.000 0.286 893 R C -1.912 174.497 176.300 0.181 0.000 0.969 893 R CA -1.138 55.068 56.100 0.177 0.000 0.898 893 R CB 2.600 32.964 30.300 0.106 0.000 1.183 893 R HN 0.653 nan 8.270 nan 0.000 0.456 894 L N 2.386 123.696 121.223 0.146 0.000 2.319 894 L HA 0.438 4.778 4.340 -0.001 0.000 0.281 894 L C -1.220 175.678 176.870 0.047 0.000 1.005 894 L CA -0.569 54.334 54.840 0.104 0.000 0.828 894 L CB 1.840 43.972 42.059 0.122 0.000 1.227 894 L HN 0.316 nan 8.230 nan 0.000 0.415 895 V N 6.223 126.148 119.914 0.019 0.000 2.326 895 V HA 0.400 4.519 4.120 -0.001 0.000 0.281 895 V C -0.361 175.707 176.094 -0.042 0.000 1.015 895 V CA -0.580 61.712 62.300 -0.014 0.000 0.823 895 V CB 1.365 33.172 31.823 -0.028 0.000 1.009 895 V HN 0.633 nan 8.190 nan 0.000 0.436 896 L N 5.511 126.706 121.223 -0.047 0.000 2.275 896 L HA 0.691 5.030 4.340 -0.001 0.000 0.288 896 L C -0.129 176.704 176.870 -0.063 0.000 1.046 896 L CA 0.663 55.468 54.840 -0.059 0.000 0.805 896 L CB 1.015 43.036 42.059 -0.062 0.000 1.193 896 L HN 0.745 nan 8.230 nan 0.000 0.426 897 E N 3.538 123.694 120.200 -0.073 0.000 2.408 897 E HA 0.452 4.802 4.350 -0.001 0.000 0.275 897 E C -1.279 175.277 176.600 -0.073 0.000 0.935 897 E CA -1.211 55.143 56.400 -0.078 0.000 0.775 897 E CB 1.467 31.105 29.700 -0.103 0.000 1.277 897 E HN 0.230 nan 8.360 nan 0.000 0.455 898 K N 1.301 121.662 120.400 -0.065 0.000 2.234 898 K HA 0.222 4.541 4.320 -0.001 0.000 0.282 898 K C 0.344 176.902 176.600 -0.069 0.000 1.039 898 K CA -0.244 56.009 56.287 -0.057 0.000 0.928 898 K CB 1.267 33.738 32.500 -0.047 0.000 1.039 898 K HN 0.489 nan 8.250 nan 0.000 0.470 899 V N -0.572 119.302 119.914 -0.066 0.000 3.252 899 V HA 0.043 4.162 4.120 -0.001 0.000 0.320 899 V C 1.068 177.128 176.094 -0.057 0.000 1.459 899 V CA -0.324 61.929 62.300 -0.079 0.000 1.095 899 V CB -0.238 31.520 31.823 -0.107 0.000 0.997 899 V HN 0.618 nan 8.190 nan 0.000 0.469 900 N N 1.646 120.322 118.700 -0.041 0.000 2.453 900 N HA -0.167 4.572 4.740 -0.001 0.000 0.183 900 N C 0.993 176.484 175.510 -0.032 0.000 1.041 900 N CA 1.785 54.817 53.050 -0.030 0.000 0.900 900 N CB -0.557 37.918 38.487 -0.021 0.000 0.961 900 N HN 0.718 nan 8.380 nan 0.000 0.443 901 N N -0.652 118.024 118.700 -0.040 0.000 2.280 901 N HA 0.133 4.873 4.740 -0.001 0.000 0.192 901 N C -0.451 175.030 175.510 -0.049 0.000 1.109 901 N CA -0.309 52.717 53.050 -0.040 0.000 0.855 901 N CB 0.398 38.862 38.487 -0.039 0.000 0.974 901 N HN 0.133 nan 8.380 nan 0.000 0.482 902 c N 1.100 119.665 118.600 -0.059 0.000 2.536 902 c HA 0.249 4.819 4.570 -0.001 0.000 0.396 902 c C 0.916 174.969 174.090 -0.062 0.000 1.279 902 c CA -0.968 55.319 56.329 -0.071 0.000 2.148 902 c CB 0.625 43.078 42.510 -0.094 0.000 2.584 902 c HN 0.060 nan 8.230 nan 0.000 0.579 903 V N 5.392 125.266 119.914 -0.067 0.000 2.370 903 V HA 0.209 4.328 4.120 -0.001 0.000 0.257 903 V C 0.633 176.689 176.094 -0.063 0.000 1.064 903 V CA 0.377 62.641 62.300 -0.059 0.000 0.975 903 V CB -0.638 31.145 31.823 -0.066 0.000 1.067 903 V HN 0.789 nan 8.190 nan 0.000 0.485 904 R N 4.604 125.079 120.500 -0.042 0.000 2.758 904 R HA 0.544 4.883 4.340 -0.001 0.000 0.265 904 R C -2.447 173.846 176.300 -0.012 0.000 1.016 904 R CA -1.854 54.230 56.100 -0.028 0.000 1.040 904 R CB 1.075 31.364 30.300 -0.019 0.000 1.152 904 R HN 0.397 nan 8.270 nan 0.000 0.503 905 P HA -0.029 nan 4.420 nan 0.000 0.270 905 P C -0.428 176.910 177.300 0.063 0.000 1.223 905 P CA -0.216 62.869 63.100 -0.025 0.000 0.785 905 P CB 0.622 32.232 31.700 -0.150 0.000 0.923 906 S N 1.092 116.858 115.700 0.109 0.000 2.596 906 S HA 0.066 4.536 4.470 -0.001 0.000 0.260 906 S C 1.081 175.761 174.600 0.135 0.000 1.336 906 S CA -0.148 58.118 58.200 0.110 0.000 0.993 906 S CB 0.313 63.581 63.200 0.114 0.000 0.923 906 S HN 0.315 nan 8.310 nan 0.000 0.567 907 K N 0.502 120.963 120.400 0.102 0.000 2.211 907 K HA -0.023 4.296 4.320 -0.001 0.000 0.204 907 K C 1.522 178.180 176.600 0.096 0.000 1.047 907 K CA 1.354 57.698 56.287 0.096 0.000 0.935 907 K CB -0.579 31.961 32.500 0.067 0.000 0.728 907 K HN 0.556 nan 8.250 nan 0.000 0.452 908 L N 0.099 121.380 121.223 0.097 0.000 2.591 908 L HA 0.023 4.363 4.340 -0.001 0.000 0.228 908 L C 1.055 177.979 176.870 0.090 0.000 1.133 908 L CA -0.200 54.682 54.840 0.070 0.000 0.880 908 L CB -0.216 41.869 42.059 0.043 0.000 1.033 908 L HN 0.241 nan 8.230 nan 0.000 0.450 909 H N 2.197 121.305 119.070 0.065 0.000 2.803 909 H HA 0.092 4.648 4.556 -0.001 0.000 0.330 909 H C -1.717 173.654 175.328 0.071 0.000 1.057 909 H CA -1.424 54.675 56.048 0.085 0.000 1.458 909 H CB 1.785 31.625 29.762 0.130 0.000 1.470 909 H HN -0.085 nan 8.280 nan 0.000 0.560 910 P HA 0.142 nan 4.420 nan 0.000 0.249 910 P C -0.416 176.995 177.300 0.185 0.000 1.229 910 P CA 0.179 63.322 63.100 0.072 0.000 0.788 910 P CB 0.483 32.148 31.700 -0.058 0.000 1.072 911 A N -0.333 122.766 122.820 0.464 0.000 2.299 911 A HA 0.761 5.080 4.320 -0.001 0.000 0.332 911 A C 0.293 177.935 177.584 0.097 0.000 1.131 911 A CA -0.315 51.858 52.037 0.226 0.000 0.844 911 A CB 1.028 20.148 19.000 0.200 0.000 1.251 911 A HN 0.164 nan 8.150 nan 0.000 0.486 912 G N -1.437 107.292 108.800 -0.118 0.000 2.658 912 G HA2 0.639 4.598 3.960 -0.001 0.000 0.292 912 G HA3 0.639 4.598 3.960 -0.001 0.000 0.292 912 G C -1.856 172.683 174.900 -0.602 0.000 1.320 912 G CA -0.413 44.529 45.100 -0.263 0.000 0.933 912 G HN 0.532 nan 8.290 nan 0.000 0.476 913 Y N -0.949 119.322 120.300 -0.049 0.000 2.534 913 Y HA 0.490 5.039 4.550 -0.001 0.000 0.345 913 Y C 0.314 175.979 175.900 -0.390 0.000 1.031 913 Y CA -0.854 57.149 58.100 -0.160 0.000 1.022 913 Y CB 2.005 40.359 38.460 -0.177 0.000 1.292 913 Y HN 0.354 nan 8.280 nan 0.000 0.459 914 L N 2.100 123.162 121.223 -0.268 0.000 2.453 914 L HA 0.387 4.727 4.340 -0.001 0.000 0.261 914 L C 0.713 177.431 176.870 -0.253 0.000 1.179 914 L CA -0.534 54.067 54.840 -0.399 0.000 0.813 914 L CB 0.839 42.744 42.059 -0.256 0.000 1.110 914 L HN 0.803 nan 8.230 nan 0.000 0.466 915 T N -2.527 111.865 114.554 -0.269 0.000 2.847 915 T HA 0.058 4.407 4.350 -0.001 0.000 0.279 915 T C 1.152 175.798 174.700 -0.089 0.000 0.984 915 T CA -0.160 61.834 62.100 -0.176 0.000 0.988 915 T CB 1.491 70.252 68.868 -0.178 0.000 1.040 915 T HN 0.617 nan 8.240 nan 0.000 0.528 916 S N 0.552 116.212 115.700 -0.067 0.000 2.365 916 S HA -0.163 4.307 4.470 -0.001 0.000 0.225 916 S C 2.346 176.953 174.600 0.013 0.000 1.039 916 S CA 1.553 59.746 58.200 -0.012 0.000 1.033 916 S CB -1.259 61.918 63.200 -0.038 0.000 0.887 916 S HN 0.929 nan 8.310 nan 0.000 0.447 917 A N 1.098 123.902 122.820 -0.027 0.000 1.933 917 A HA 0.243 4.562 4.320 -0.001 0.000 0.218 917 A C 2.453 180.027 177.584 -0.015 0.000 1.175 917 A CA 1.847 53.871 52.037 -0.022 0.000 0.628 917 A CB -1.277 17.701 19.000 -0.037 0.000 0.814 917 A HN 0.807 nan 8.150 nan 0.000 0.444 918 A N -1.414 121.384 122.820 -0.037 0.000 1.929 918 A HA -0.146 4.174 4.320 -0.001 0.000 0.216 918 A C 2.100 179.706 177.584 0.036 0.000 1.176 918 A CA 1.518 53.537 52.037 -0.030 0.000 0.628 918 A CB -0.911 18.018 19.000 -0.118 0.000 0.816 918 A HN 0.768 nan 8.150 nan 0.000 0.444 919 H N 0.144 119.196 119.070 -0.031 0.000 2.321 919 H HA -0.077 4.478 4.556 -0.001 0.000 0.300 919 H C 1.814 177.174 175.328 0.053 0.000 1.087 919 H CA 1.887 57.954 56.048 0.031 0.000 1.319 919 H CB -0.041 29.734 29.762 0.022 0.000 1.379 919 H HN 0.426 nan 8.280 nan 0.000 0.501 920 K N 0.194 120.548 120.400 -0.077 0.000 2.097 920 K HA -0.078 4.242 4.320 -0.001 0.000 0.206 920 K C 2.398 178.954 176.600 -0.073 0.000 1.049 920 K CA 0.855 57.078 56.287 -0.105 0.000 0.933 920 K CB -0.064 32.425 32.500 -0.018 0.000 0.717 920 K HN 0.276 nan 8.250 nan 0.000 0.442 921 A N 0.906 123.708 122.820 -0.031 0.000 1.902 921 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 921 A C 2.221 179.800 177.584 -0.007 0.000 1.181 921 A CA 2.048 54.082 52.037 -0.005 0.000 0.623 921 A CB -0.631 18.382 19.000 0.021 0.000 0.818 921 A HN 0.284 nan 8.150 nan 0.000 0.443 922 S N -0.710 114.986 115.700 -0.005 0.000 2.368 922 S HA -0.231 4.239 4.470 -0.001 0.000 0.225 922 S C 2.148 176.726 174.600 -0.036 0.000 1.030 922 S CA 1.680 59.893 58.200 0.021 0.000 0.999 922 S CB -0.411 62.847 63.200 0.097 0.000 0.844 922 S HN 0.675 nan 8.310 nan 0.000 0.459 923 Q N 0.371 120.101 119.800 -0.116 0.000 2.135 923 Q HA -0.061 4.278 4.340 -0.001 0.000 0.204 923 Q C 2.429 178.372 176.000 -0.095 0.000 0.981 923 Q CA 1.662 57.399 55.803 -0.111 0.000 0.856 923 Q CB -0.271 28.382 28.738 -0.142 0.000 0.902 923 Q HN 0.517 nan 8.270 nan 0.000 0.425 924 S N 0.801 116.456 115.700 -0.075 0.000 2.399 924 S HA -0.085 4.384 4.470 -0.001 0.000 0.231 924 S C 1.887 176.427 174.600 -0.101 0.000 1.022 924 S CA 0.877 59.032 58.200 -0.075 0.000 0.983 924 S CB -0.072 63.102 63.200 -0.043 0.000 0.803 924 S HN 0.286 nan 8.310 nan 0.000 0.480 925 L N 0.356 121.530 121.223 -0.081 0.000 2.127 925 L HA 0.085 4.424 4.340 -0.001 0.000 0.203 925 L C 2.031 178.816 176.870 -0.142 0.000 1.080 925 L CA 0.885 55.670 54.840 -0.091 0.000 0.768 925 L CB -0.342 41.686 42.059 -0.051 0.000 0.924 925 L HN 0.272 nan 8.230 nan 0.000 0.444 926 L N -1.314 119.829 121.223 -0.134 0.000 2.249 926 L HA 0.037 4.376 4.340 -0.001 0.000 0.207 926 L C 0.203 176.912 176.870 -0.268 0.000 1.090 926 L CA 0.722 55.463 54.840 -0.166 0.000 0.802 926 L CB 0.111 42.107 42.059 -0.105 0.000 0.947 926 L HN 0.186 nan 8.230 nan 0.000 0.453 927 D N 0.490 120.722 120.400 -0.281 0.000 2.613 927 D HA 0.227 4.866 4.640 -0.001 0.000 0.312 927 D C -2.364 173.685 176.300 -0.418 0.000 1.202 927 D CA -0.988 52.771 54.000 -0.402 0.000 0.825 927 D CB 1.277 42.038 40.800 -0.064 0.000 1.113 927 D HN 0.056 nan 8.370 nan 0.000 0.502 928 P HA 0.100 nan 4.420 nan 0.000 0.273 928 P C 0.569 177.717 177.300 -0.254 0.000 1.250 928 P CA -0.455 62.452 63.100 -0.323 0.000 0.793 928 P CB 1.511 33.027 31.700 -0.306 0.000 1.011 929 L N 1.060 122.204 121.223 -0.132 0.000 2.514 929 L HA 0.073 4.413 4.340 -0.001 0.000 0.280 929 L C 0.926 177.792 176.870 -0.007 0.000 1.223 929 L CA 0.462 55.280 54.840 -0.037 0.000 0.864 929 L CB -0.341 41.715 42.059 -0.006 0.000 1.118 929 L HN 0.284 nan 8.230 nan 0.000 0.494 930 D N 3.337 123.819 120.400 0.136 0.000 2.210 930 D HA 0.334 4.973 4.640 -0.001 0.000 0.249 930 D C -0.322 176.042 176.300 0.106 0.000 1.062 930 D CA -0.310 53.757 54.000 0.112 0.000 0.891 930 D CB 1.704 42.654 40.800 0.250 0.000 1.186 930 D HN 0.375 nan 8.370 nan 0.000 0.432 931 K N 1.327 121.681 120.400 -0.078 0.000 2.345 931 K HA 0.471 4.790 4.320 -0.001 0.000 0.255 931 K C -1.021 175.567 176.600 -0.021 0.000 0.934 931 K CA -0.656 55.699 56.287 0.114 0.000 0.801 931 K CB 1.581 34.092 32.500 0.017 0.000 1.137 931 K HN 0.226 nan 8.250 nan 0.000 0.424 932 F N 2.659 122.821 119.950 0.355 0.000 2.507 932 F HA 0.486 5.012 4.527 -0.001 0.000 0.325 932 F C 0.016 176.113 175.800 0.495 0.000 1.116 932 F CA -0.870 57.328 58.000 0.330 0.000 0.930 932 F CB 1.247 40.269 39.000 0.036 0.000 1.146 932 F HN 0.195 nan 8.300 nan 0.000 0.447 933 I N 3.665 124.624 120.570 0.647 0.000 2.339 933 I HA 0.209 4.379 4.170 -0.001 0.000 0.290 933 I C -0.507 175.899 176.117 0.482 0.000 0.994 933 I CA -0.833 60.768 61.300 0.502 0.000 1.191 933 I CB 1.168 39.364 38.000 0.327 0.000 1.343 933 I HN 0.440 nan 8.210 nan 0.000 0.458 934 F N 5.823 125.948 119.950 0.291 0.000 2.578 934 F HA 0.170 4.697 4.527 -0.001 0.000 0.376 934 F C 1.209 176.933 175.800 -0.126 0.000 1.085 934 F CA 0.123 57.992 58.000 -0.219 0.000 1.260 934 F CB 1.155 40.060 39.000 -0.157 0.000 1.095 934 F HN 0.607 nan 8.300 nan 0.000 0.573 935 A N 4.487 126.771 122.820 -0.894 0.000 1.930 935 A HA 0.026 4.345 4.320 -0.001 0.000 0.215 935 A C 0.993 178.332 177.584 -0.408 0.000 1.176 935 A CA 0.602 52.325 52.037 -0.524 0.000 0.632 935 A CB -0.514 18.153 19.000 -0.555 0.000 0.819 935 A HN 0.801 nan 8.150 nan 0.000 0.445 936 E N -0.431 119.382 120.200 -0.644 0.000 2.385 936 E HA 0.156 4.505 4.350 -0.001 0.000 0.254 936 E C 0.277 176.984 176.600 0.179 0.000 1.228 936 E CA -0.524 55.791 56.400 -0.141 0.000 0.956 936 E CB 0.226 29.902 29.700 -0.041 0.000 1.116 936 E HN 0.236 nan 8.360 nan 0.000 0.507 937 N N 0.423 119.245 118.700 0.203 0.000 2.300 937 N HA -0.068 4.672 4.740 -0.001 0.000 0.179 937 N C -0.298 175.375 175.510 0.272 0.000 1.016 937 N CA 0.841 54.021 53.050 0.217 0.000 0.876 937 N CB 0.239 38.807 38.487 0.136 0.000 0.979 937 N HN 0.438 nan 8.380 nan 0.000 0.432 938 E N -0.659 119.726 120.200 0.308 0.000 2.256 938 E HA 0.117 4.467 4.350 -0.001 0.000 0.268 938 E C -1.530 175.185 176.600 0.193 0.000 0.877 938 E CA -0.727 55.784 56.400 0.185 0.000 0.757 938 E CB 1.257 31.025 29.700 0.113 0.000 1.183 938 E HN -0.010 nan 8.360 nan 0.000 0.418 939 W N 7.804 128.807 121.300 -0.496 0.000 2.295 939 W HA 0.407 5.066 4.660 -0.001 0.000 0.333 939 W C -1.330 175.004 176.519 -0.307 0.000 0.990 939 W CA -1.435 55.469 57.345 -0.734 0.000 1.453 939 W CB -0.151 28.337 29.460 -1.620 0.000 1.263 939 W HN 0.468 nan 8.180 nan 0.000 0.380 940 I N 5.913 126.602 120.570 0.198 0.000 2.496 940 I HA 0.260 4.429 4.170 -0.001 0.000 0.285 940 I C 1.507 177.617 176.117 -0.012 0.000 1.080 940 I CA 1.166 62.497 61.300 0.050 0.000 1.404 940 I CB 0.651 38.705 38.000 0.091 0.000 1.403 940 I HN 0.780 nan 8.210 nan 0.000 0.539 941 G N 4.283 112.988 108.800 -0.158 0.000 2.143 941 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.249 941 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.249 941 G C 0.418 175.063 174.900 -0.426 0.000 0.981 941 G CA -0.094 44.889 45.100 -0.196 0.000 0.665 941 G HN 1.010 nan 8.290 nan 0.000 0.528 942 A N -0.305 122.000 122.820 -0.859 0.000 2.540 942 A HA 0.542 4.861 4.320 -0.001 0.000 0.239 942 A C 0.601 177.756 177.584 -0.716 0.000 1.061 942 A CA 0.842 52.016 52.037 -1.438 0.000 0.758 942 A CB 0.224 18.078 19.000 -1.910 0.000 0.991 942 A HN 0.637 nan 8.150 nan 0.000 0.502 943 Q N 0.846 120.305 119.800 -0.568 0.000 2.297 943 Q HA 0.526 4.865 4.340 -0.001 0.000 0.268 943 Q C 1.073 176.953 176.000 -0.199 0.000 1.045 943 Q CA -0.211 55.427 55.803 -0.275 0.000 0.861 943 Q CB 1.892 30.539 28.738 -0.151 0.000 1.344 943 Q HN 0.796 nan 8.270 nan 0.000 0.452 944 G N 0.090 108.814 108.800 -0.127 0.000 2.683 944 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.213 944 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.213 944 G C 0.183 175.059 174.900 -0.040 0.000 1.142 944 G CA 0.506 45.549 45.100 -0.095 0.000 0.793 944 G HN 0.436 nan 8.290 nan 0.000 0.534 945 Q N -1.316 118.476 119.800 -0.013 0.000 2.527 945 Q HA 0.513 4.853 4.340 -0.001 0.000 0.280 945 Q C -2.386 173.636 176.000 0.037 0.000 0.977 945 Q CA -0.905 54.907 55.803 0.014 0.000 0.837 945 Q CB 2.186 30.917 28.738 -0.011 0.000 1.454 945 Q HN 0.047 nan 8.270 nan 0.000 0.387 946 F N 1.103 120.964 119.950 -0.148 0.000 2.569 946 F HA 0.639 5.166 4.527 -0.001 0.000 0.312 946 F C 0.504 176.058 175.800 -0.410 0.000 1.109 946 F CA 0.463 58.307 58.000 -0.259 0.000 0.919 946 F CB 2.103 40.961 39.000 -0.236 0.000 1.211 946 F HN 0.676 nan 8.300 nan 0.000 0.446 947 G N 2.952 110.704 108.800 -1.746 0.000 2.141 947 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.242 947 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.242 947 G C 1.026 175.241 174.900 -1.141 0.000 0.982 947 G CA 0.327 44.169 45.100 -2.097 0.000 0.662 947 G HN 1.601 nan 8.290 nan 0.000 0.527 948 G N 1.103 109.533 108.800 -0.617 0.000 2.479 948 G HA2 -0.003 3.956 3.960 -0.001 0.000 0.220 948 G HA3 -0.003 3.956 3.960 -0.001 0.000 0.220 948 G C 1.252 176.086 174.900 -0.110 0.000 1.115 948 G CA 1.747 46.716 45.100 -0.218 0.000 0.757 948 G HN 0.833 nan 8.290 nan 0.000 0.560 949 D N -0.650 119.604 120.400 -0.245 0.000 2.349 949 D HA 0.010 4.650 4.640 -0.001 0.000 0.214 949 D C 0.066 176.365 176.300 -0.002 0.000 1.063 949 D CA -0.404 53.546 54.000 -0.083 0.000 0.847 949 D CB -0.453 40.303 40.800 -0.072 0.000 0.933 949 D HN 0.178 nan 8.370 nan 0.000 0.513 950 H N 1.712 120.670 119.070 -0.187 0.000 2.764 950 H HA 0.324 4.880 4.556 -0.001 0.000 0.341 950 H C -1.973 173.317 175.328 -0.063 0.000 1.072 950 H CA -2.115 53.846 56.048 -0.144 0.000 1.444 950 H CB 0.079 29.704 29.762 -0.229 0.000 1.458 950 H HN 0.035 nan 8.280 nan 0.000 0.572 951 P HA -0.011 nan 4.420 nan 0.000 0.268 951 P C -0.180 177.179 177.300 0.097 0.000 1.205 951 P CA -0.036 63.119 63.100 0.092 0.000 0.771 951 P CB 0.689 32.421 31.700 0.054 0.000 0.858 952 S N 2.274 118.065 115.700 0.152 0.000 2.466 952 S HA 0.572 5.042 4.470 -0.001 0.000 0.313 952 S C 0.042 174.735 174.600 0.155 0.000 1.078 952 S CA -0.593 57.723 58.200 0.194 0.000 1.115 952 S CB -0.713 62.724 63.200 0.395 0.000 1.006 952 S HN 0.494 nan 8.310 nan 0.000 0.487 953 A N 4.709 127.612 122.820 0.138 0.000 2.313 953 A HA 0.510 4.829 4.320 -0.001 0.000 0.261 953 A C 0.552 178.186 177.584 0.084 0.000 1.090 953 A CA -0.717 51.380 52.037 0.100 0.000 0.807 953 A CB 0.159 19.218 19.000 0.097 0.000 1.055 953 A HN 0.973 nan 8.150 nan 0.000 0.492 954 R N 0.625 121.144 120.500 0.033 0.000 2.697 954 R HA -0.025 4.314 4.340 -0.001 0.000 0.265 954 R C 0.674 176.971 176.300 -0.006 0.000 1.009 954 R CA 0.786 56.879 56.100 -0.012 0.000 1.099 954 R CB 0.127 30.411 30.300 -0.027 0.000 0.965 954 R HN 0.889 nan 8.270 nan 0.000 0.428 955 E N 1.528 121.685 120.200 -0.071 0.000 2.209 955 E HA -0.250 4.100 4.350 -0.001 0.000 0.196 955 E C 0.289 176.911 176.600 0.037 0.000 0.993 955 E CA 1.532 57.877 56.400 -0.091 0.000 0.819 955 E CB -0.143 29.478 29.700 -0.132 0.000 0.745 955 E HN 0.858 nan 8.360 nan 0.000 0.477 956 D N 0.626 121.007 120.400 -0.032 0.000 2.349 956 D HA -0.003 4.637 4.640 -0.001 0.000 0.224 956 D C 0.353 176.637 176.300 -0.026 0.000 1.029 956 D CA -0.097 53.842 54.000 -0.101 0.000 0.879 956 D CB -0.025 40.663 40.800 -0.187 0.000 0.906 956 D HN 0.178 nan 8.370 nan 0.000 0.528 957 L N 0.729 121.985 121.223 0.056 0.000 2.309 957 L HA 0.537 4.876 4.340 -0.001 0.000 0.282 957 L C -1.159 175.825 176.870 0.191 0.000 1.036 957 L CA -0.482 54.410 54.840 0.085 0.000 0.806 957 L CB 1.721 43.819 42.059 0.066 0.000 1.220 957 L HN -0.215 nan 8.230 nan 0.000 0.429 958 D N 2.342 122.875 120.400 0.222 0.000 2.671 958 D HA 0.370 5.010 4.640 -0.001 0.000 0.232 958 D C -1.358 175.094 176.300 0.253 0.000 1.114 958 D CA -0.262 53.893 54.000 0.258 0.000 0.858 958 D CB 2.457 43.457 40.800 0.333 0.000 1.544 958 D HN 0.237 nan 8.370 nan 0.000 0.471 959 V N 3.417 123.460 119.914 0.215 0.000 2.284 959 V HA 0.127 4.247 4.120 -0.001 0.000 0.260 959 V C 1.257 177.485 176.094 0.223 0.000 1.084 959 V CA 0.002 62.443 62.300 0.235 0.000 0.894 959 V CB 0.493 32.442 31.823 0.211 0.000 1.119 959 V HN 0.595 nan 8.190 nan 0.000 0.484 960 S N 3.170 119.031 115.700 0.270 0.000 2.399 960 S HA -0.004 4.465 4.470 -0.001 0.000 0.231 960 S C 0.640 175.297 174.600 0.096 0.000 1.022 960 S CA 0.805 59.120 58.200 0.190 0.000 0.983 960 S CB 0.179 63.550 63.200 0.285 0.000 0.803 960 S HN 0.492 nan 8.310 nan 0.000 0.480 961 V N 1.493 121.504 119.914 0.162 0.000 2.686 961 V HA 0.519 4.639 4.120 -0.001 0.000 0.306 961 V C -0.810 175.361 176.094 0.127 0.000 1.065 961 V CA -0.564 61.807 62.300 0.119 0.000 0.894 961 V CB 1.924 33.843 31.823 0.161 0.000 1.004 961 V HN 0.367 nan 8.190 nan 0.000 0.424 962 M N 5.587 125.184 119.600 -0.005 0.000 2.197 962 M HA 0.681 5.160 4.480 -0.001 0.000 0.301 962 M C -1.070 175.071 176.300 -0.265 0.000 0.987 962 M CA -0.491 54.677 55.300 -0.219 0.000 0.921 962 M CB 1.474 33.955 32.600 -0.199 0.000 1.569 962 M HN 0.734 nan 8.290 nan 0.000 0.431 963 R N 4.113 124.382 120.500 -0.385 0.000 2.510 963 R HA 0.421 4.760 4.340 -0.001 0.000 0.294 963 R C -1.347 174.727 176.300 -0.377 0.000 1.056 963 R CA -0.679 55.243 56.100 -0.296 0.000 0.918 963 R CB 1.781 31.986 30.300 -0.157 0.000 1.187 963 R HN 0.905 nan 8.270 nan 0.000 0.437 964 R N 4.353 124.686 120.500 -0.279 0.000 2.442 964 R HA 0.118 4.458 4.340 -0.001 0.000 0.291 964 R C 0.207 176.395 176.300 -0.186 0.000 1.069 964 R CA 0.135 56.098 56.100 -0.228 0.000 1.022 964 R CB 0.602 30.826 30.300 -0.127 0.000 0.976 964 R HN 0.698 nan 8.270 nan 0.000 0.443 965 L N 2.985 124.092 121.223 -0.194 0.000 2.616 965 L HA 0.152 4.492 4.340 -0.001 0.000 0.229 965 L C 0.298 177.116 176.870 -0.087 0.000 1.110 965 L CA -0.002 54.744 54.840 -0.156 0.000 0.884 965 L CB 0.456 42.389 42.059 -0.210 0.000 1.115 965 L HN 0.718 nan 8.230 nan 0.000 0.481 966 T N -2.650 111.864 114.554 -0.067 0.000 2.885 966 T HA 0.461 4.810 4.350 -0.001 0.000 0.285 966 T C -0.248 174.445 174.700 -0.012 0.000 1.019 966 T CA -0.906 61.173 62.100 -0.035 0.000 1.010 966 T CB 2.419 71.273 68.868 -0.024 0.000 1.022 966 T HN -0.085 nan 8.240 nan 0.000 0.466 967 K N 0.886 121.285 120.400 -0.002 0.000 2.102 967 K HA 0.344 4.663 4.320 -0.001 0.000 0.244 967 K C 1.665 178.279 176.600 0.024 0.000 1.021 967 K CA -0.308 55.989 56.287 0.017 0.000 0.913 967 K CB 0.639 33.147 32.500 0.013 0.000 1.062 967 K HN 0.799 nan 8.250 nan 0.000 0.485 968 S N -0.495 115.228 115.700 0.038 0.000 2.419 968 S HA -0.171 4.298 4.470 -0.001 0.000 0.233 968 S C 1.808 176.424 174.600 0.026 0.000 1.016 968 S CA 1.600 59.822 58.200 0.037 0.000 0.974 968 S CB -0.424 62.805 63.200 0.048 0.000 0.786 968 S HN 0.647 nan 8.310 nan 0.000 0.492 969 S N 1.741 117.454 115.700 0.022 0.000 2.515 969 S HA 0.395 4.864 4.470 -0.001 0.000 0.231 969 S C 0.857 175.464 174.600 0.012 0.000 0.987 969 S CA 0.102 58.312 58.200 0.017 0.000 0.936 969 S CB -0.702 62.508 63.200 0.016 0.000 0.766 969 S HN 0.800 nan 8.310 nan 0.000 0.528 970 A N 1.939 124.764 122.820 0.009 0.000 2.491 970 A HA 0.332 4.651 4.320 -0.001 0.000 0.261 970 A C 1.263 178.853 177.584 0.010 0.000 1.101 970 A CA -0.295 51.745 52.037 0.005 0.000 0.772 970 A CB 0.124 19.123 19.000 -0.001 0.000 1.043 970 A HN 0.484 nan 8.150 nan 0.000 0.501 971 K N 1.751 122.155 120.400 0.007 0.000 2.057 971 K HA -0.089 4.231 4.320 -0.001 0.000 0.207 971 K C 0.071 176.680 176.600 0.015 0.000 1.049 971 K CA 1.638 57.931 56.287 0.011 0.000 0.931 971 K CB -0.010 32.494 32.500 0.006 0.000 0.714 971 K HN 0.659 nan 8.250 nan 0.000 0.440 972 T N 2.347 116.907 114.554 0.010 0.000 2.770 972 T HA 0.189 4.538 4.350 -0.001 0.000 0.297 972 T C -0.859 173.854 174.700 0.023 0.000 0.997 972 T CA -0.692 61.417 62.100 0.015 0.000 0.949 972 T CB 1.460 70.326 68.868 -0.004 0.000 0.941 972 T HN 0.074 nan 8.240 nan 0.000 0.457 973 Q N 2.685 122.517 119.800 0.054 0.000 2.340 973 Q HA 0.418 4.757 4.340 -0.001 0.000 0.249 973 Q C 0.073 176.125 176.000 0.087 0.000 0.957 973 Q CA 0.033 55.870 55.803 0.058 0.000 0.882 973 Q CB 1.282 30.058 28.738 0.064 0.000 1.235 973 Q HN 0.551 nan 8.270 nan 0.000 0.439 974 R N 0.254 120.771 120.500 0.029 0.000 2.628 974 R HA 0.657 4.996 4.340 -0.001 0.000 0.288 974 R C -1.097 175.154 176.300 -0.082 0.000 0.980 974 R CA -0.656 55.446 56.100 0.004 0.000 0.891 974 R CB 1.844 32.112 30.300 -0.054 0.000 1.188 974 R HN 0.248 nan 8.270 nan 0.000 0.450 975 V N 1.480 121.343 119.914 -0.086 0.000 2.588 975 V HA 0.607 4.727 4.120 -0.001 0.000 0.304 975 V C 0.173 175.985 176.094 -0.471 0.000 1.042 975 V CA -0.834 61.280 62.300 -0.310 0.000 0.877 975 V CB 2.073 33.721 31.823 -0.290 0.000 0.996 975 V HN 0.944 nan 8.190 nan 0.000 0.425 976 G N 2.937 111.257 108.800 -0.801 0.000 2.371 976 G HA2 0.656 4.615 3.960 -0.001 0.000 0.326 976 G HA3 0.656 4.615 3.960 -0.001 0.000 0.326 976 G C -1.637 172.826 174.900 -0.730 0.000 1.127 976 G CA -0.279 44.190 45.100 -1.051 0.000 0.885 976 G HN 0.509 nan 8.290 nan 0.000 0.477 977 Y N 0.423 120.810 120.300 0.145 0.000 2.425 977 Y HA 0.470 5.020 4.550 -0.001 0.000 0.344 977 Y C -0.112 176.058 175.900 0.450 0.000 0.969 977 Y CA -0.898 57.375 58.100 0.288 0.000 1.052 977 Y CB 2.747 41.343 38.460 0.228 0.000 1.215 977 Y HN 0.341 nan 8.280 nan 0.000 0.451 978 V N 5.061 125.272 119.914 0.494 0.000 2.370 978 V HA 0.365 4.485 4.120 -0.001 0.000 0.283 978 V C -0.416 175.904 176.094 0.377 0.000 1.023 978 V CA -0.770 61.745 62.300 0.359 0.000 0.857 978 V CB 1.561 33.546 31.823 0.270 0.000 0.985 978 V HN 0.632 nan 8.190 nan 0.000 0.443 979 L N 5.218 126.647 121.223 0.345 0.000 2.296 979 L HA 0.563 4.903 4.340 -0.001 0.000 0.286 979 L C -0.520 176.538 176.870 0.313 0.000 1.023 979 L CA -0.421 54.613 54.840 0.323 0.000 0.812 979 L CB 1.286 43.534 42.059 0.315 0.000 1.223 979 L HN 0.691 nan 8.230 nan 0.000 0.421 980 H N 5.226 124.443 119.070 0.245 0.000 2.547 980 H HA 0.383 4.938 4.556 -0.001 0.000 0.342 980 H C -1.294 174.113 175.328 0.132 0.000 1.048 980 H CA -0.812 55.348 56.048 0.187 0.000 1.204 980 H CB 1.919 31.858 29.762 0.296 0.000 1.493 980 H HN 0.565 nan 8.280 nan 0.000 0.511 981 R N 3.834 123.935 120.500 -0.665 0.000 2.393 981 R HA 0.219 4.558 4.340 -0.001 0.000 0.315 981 R C -0.376 175.490 176.300 -0.724 0.000 0.952 981 R CA -0.407 55.409 56.100 -0.472 0.000 0.842 981 R CB 1.662 31.815 30.300 -0.245 0.000 1.163 981 R HN 0.646 nan 8.270 nan 0.000 0.450 982 T N 1.528 115.813 114.554 -0.448 0.000 2.833 982 T HA 0.203 4.553 4.350 -0.001 0.000 0.292 982 T C -0.544 173.985 174.700 -0.285 0.000 1.031 982 T CA -0.477 61.462 62.100 -0.268 0.000 0.937 982 T CB 0.606 69.394 68.868 -0.133 0.000 1.256 982 T HN 0.675 nan 8.240 nan 0.000 0.551 983 N N 0.698 119.257 118.700 -0.234 0.000 2.448 983 N HA 0.461 5.200 4.740 -0.001 0.000 0.279 983 N C -1.431 173.927 175.510 -0.252 0.000 1.025 983 N CA -0.487 52.367 53.050 -0.327 0.000 0.898 983 N CB 0.615 38.757 38.487 -0.575 0.000 1.303 983 N HN 0.468 nan 8.380 nan 0.000 0.495 984 L N 2.741 123.809 121.223 -0.258 0.000 2.325 984 L HA 0.537 4.876 4.340 -0.001 0.000 0.278 984 L C 0.544 177.294 176.870 -0.201 0.000 1.023 984 L CA -0.936 53.786 54.840 -0.197 0.000 0.811 984 L CB 1.529 43.479 42.059 -0.181 0.000 1.249 984 L HN 0.379 nan 8.230 nan 0.000 0.431 985 M N 2.127 121.629 119.600 -0.164 0.000 2.245 985 M HA 0.091 4.571 4.480 -0.001 0.000 0.344 985 M C -0.154 176.062 176.300 -0.140 0.000 1.170 985 M CA -0.159 55.046 55.300 -0.158 0.000 1.135 985 M CB 0.449 32.963 32.600 -0.144 0.000 1.574 985 M HN 0.456 nan 8.290 nan 0.000 0.452 986 Q N 1.859 121.580 119.800 -0.132 0.000 2.307 986 Q HA 0.187 4.526 4.340 -0.001 0.000 0.259 986 Q C -0.245 175.701 176.000 -0.091 0.000 0.998 986 Q CA 0.140 55.879 55.803 -0.106 0.000 0.923 986 Q CB 0.878 29.557 28.738 -0.098 0.000 1.196 986 Q HN 0.808 nan 8.270 nan 0.000 0.416 987 c N 0.498 119.049 118.600 -0.083 0.000 3.240 987 c HA 0.361 4.931 4.570 -0.001 0.000 0.271 987 c C 1.224 175.279 174.090 -0.059 0.000 1.534 987 c CA -0.070 56.215 56.329 -0.073 0.000 1.796 987 c CB -0.312 42.148 42.510 -0.082 0.000 2.892 987 c HN 0.994 nan 8.230 nan 0.000 0.566 988 G N 1.462 110.229 108.800 -0.055 0.000 2.132 988 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.234 988 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.234 988 G C 0.002 174.878 174.900 -0.040 0.000 0.989 988 G CA 0.446 45.520 45.100 -0.044 0.000 0.676 988 G HN 0.450 nan 8.290 nan 0.000 0.522 989 T N 2.114 116.640 114.554 -0.046 0.000 2.910 989 T HA 0.469 4.819 4.350 -0.001 0.000 0.323 989 T C -0.416 174.260 174.700 -0.041 0.000 1.091 989 T CA -0.507 61.568 62.100 -0.041 0.000 0.960 989 T CB 1.692 70.532 68.868 -0.047 0.000 1.024 989 T HN 0.082 nan 8.240 nan 0.000 0.509 990 P HA -0.209 nan 4.420 nan 0.000 0.210 990 P C -0.256 177.023 177.300 -0.036 0.000 1.151 990 P CA 0.974 64.059 63.100 -0.026 0.000 0.949 990 P CB 0.006 31.701 31.700 -0.007 0.000 0.786 991 E N -0.958 119.222 120.200 -0.033 0.000 5.041 991 E HA -0.156 4.193 4.350 -0.001 0.000 0.185 991 E C -0.040 176.508 176.600 -0.088 0.000 1.775 991 E CA 0.162 56.520 56.400 -0.069 0.000 1.128 991 E CB -0.603 29.049 29.700 -0.080 0.000 1.025 991 E HN 0.312 nan 8.360 nan 0.000 0.332 992 E N 0.970 121.109 120.200 -0.102 0.000 2.646 992 E HA 0.194 4.544 4.350 -0.001 0.000 0.181 992 E C -0.108 176.331 176.600 -0.268 0.000 0.715 992 E CA -0.261 56.096 56.400 -0.071 0.000 1.031 992 E CB -0.064 29.692 29.700 0.092 0.000 1.878 992 E HN 0.655 nan 8.360 nan 0.000 0.370 993 H N 0.475 119.538 119.070 -0.011 0.000 2.099 993 H HA -0.138 4.417 4.556 -0.001 0.000 0.310 993 H C -0.717 174.616 175.328 0.009 0.000 0.858 993 H CA 0.990 57.036 56.048 -0.004 0.000 1.024 993 H CB -2.503 27.254 29.762 -0.008 0.000 1.578 993 H HN 0.293 nan 8.280 nan 0.000 0.302 994 T N 0.182 114.729 114.554 -0.012 0.000 2.924 994 T HA 0.581 4.931 4.350 -0.001 0.000 0.291 994 T C -0.030 174.690 174.700 0.033 0.000 1.045 994 T CA -1.155 60.942 62.100 -0.005 0.000 1.015 994 T CB 2.774 71.621 68.868 -0.036 0.000 1.103 994 T HN 0.549 nan 8.240 nan 0.000 0.496 995 Q N 0.991 120.823 119.800 0.054 0.000 2.235 995 Q HA 0.363 4.703 4.340 -0.001 0.000 0.250 995 Q C -0.203 175.815 176.000 0.029 0.000 0.909 995 Q CA -0.908 54.924 55.803 0.048 0.000 0.910 995 Q CB 1.620 30.399 28.738 0.069 0.000 1.223 995 Q HN 0.640 nan 8.270 nan 0.000 0.432 996 K N 2.007 122.414 120.400 0.011 0.000 2.448 996 K HA 0.080 4.399 4.320 -0.001 0.000 0.278 996 K C -1.006 175.590 176.600 -0.006 0.000 1.009 996 K CA -0.271 56.013 56.287 -0.005 0.000 0.995 996 K CB 0.368 32.856 32.500 -0.020 0.000 0.917 996 K HN 0.421 nan 8.250 nan 0.000 0.481 997 L N 4.669 125.884 121.223 -0.013 0.000 2.265 997 L HA 0.288 4.628 4.340 -0.001 0.000 0.289 997 L C -1.213 175.615 176.870 -0.070 0.000 1.033 997 L CA -0.065 54.760 54.840 -0.026 0.000 0.814 997 L CB 1.236 43.290 42.059 -0.007 0.000 1.203 997 L HN 0.645 nan 8.230 nan 0.000 0.423 998 D N 3.551 123.902 120.400 -0.080 0.000 2.472 998 D HA 0.160 4.800 4.640 -0.001 0.000 0.234 998 D C 1.059 177.262 176.300 -0.163 0.000 1.088 998 D CA -0.311 53.620 54.000 -0.115 0.000 0.882 998 D CB 1.260 42.036 40.800 -0.041 0.000 1.037 998 D HN 0.383 nan 8.370 nan 0.000 0.520 999 V N 1.335 121.056 119.914 -0.322 0.000 2.720 999 V HA -0.159 3.961 4.120 -0.001 0.000 0.256 999 V C 2.090 177.888 176.094 -0.494 0.000 1.082 999 V CA 0.957 62.900 62.300 -0.595 0.000 1.101 999 V CB -1.087 30.078 31.823 -1.097 0.000 0.693 999 V HN 0.606 nan 8.190 nan 0.000 0.479 1000 c N 0.540 118.984 118.600 -0.261 0.000 2.472 1000 c HA 0.042 4.611 4.570 -0.001 0.000 0.278 1000 c C 2.092 176.093 174.090 -0.149 0.000 1.447 1000 c CA 1.170 57.416 56.329 -0.139 0.000 1.773 1000 c CB -1.755 40.666 42.510 -0.149 0.000 1.793 1000 c HN 0.770 nan 8.230 nan 0.000 0.544 1001 H N -1.094 117.959 119.070 -0.029 0.000 2.542 1001 H HA 0.266 4.821 4.556 -0.001 0.000 0.283 1001 H C 1.707 177.071 175.328 0.061 0.000 1.059 1001 H CA -0.017 56.054 56.048 0.037 0.000 1.162 1001 H CB 0.083 29.847 29.762 0.003 0.000 1.539 1001 H HN 0.329 nan 8.280 nan 0.000 0.543 1002 L N -0.131 121.151 121.223 0.100 0.000 2.141 1002 L HA -0.030 4.310 4.340 -0.001 0.000 0.209 1002 L C 0.152 177.166 176.870 0.241 0.000 1.094 1002 L CA 0.917 55.843 54.840 0.143 0.000 0.763 1002 L CB 0.110 42.222 42.059 0.089 0.000 0.908 1002 L HN 0.200 nan 8.230 nan 0.000 0.437 1003 L N -0.067 121.254 121.223 0.164 0.000 2.331 1003 L HA 0.392 4.732 4.340 -0.001 0.000 0.275 1003 L C -2.058 174.862 176.870 0.083 0.000 1.022 1003 L CA -1.967 52.897 54.840 0.040 0.000 0.812 1003 L CB 1.598 43.438 42.059 -0.365 0.000 1.257 1003 L HN -0.207 nan 8.230 nan 0.000 0.435 1004 P HA 0.117 nan 4.420 nan 0.000 0.274 1004 P C -0.879 176.543 177.300 0.203 0.000 1.256 1004 P CA -0.252 62.925 63.100 0.128 0.000 0.795 1004 P CB 0.401 32.154 31.700 0.088 0.000 1.038 1005 N N -3.138 115.657 118.700 0.159 0.000 2.740 1005 N HA -0.153 4.586 4.740 -0.001 0.000 0.248 1005 N C 0.078 175.666 175.510 0.130 0.000 1.062 1005 N CA 0.118 53.248 53.050 0.135 0.000 0.704 1005 N CB -1.947 36.611 38.487 0.119 0.000 0.968 1005 N HN 0.265 nan 8.380 nan 0.000 0.547 1006 V N -0.112 119.833 119.914 0.052 0.000 2.740 1006 V HA 0.402 4.522 4.120 -0.001 0.000 0.303 1006 V C 1.155 177.146 176.094 -0.173 0.000 1.054 1006 V CA 1.122 63.277 62.300 -0.241 0.000 1.106 1006 V CB 1.320 32.905 31.823 -0.398 0.000 0.957 1006 V HN 0.423 nan 8.190 nan 0.000 0.486 1007 A N 6.846 129.540 122.820 -0.211 0.000 2.287 1007 A HA 0.499 4.818 4.320 -0.001 0.000 0.214 1007 A C 0.868 178.413 177.584 -0.065 0.000 1.228 1007 A CA -0.008 51.971 52.037 -0.096 0.000 0.939 1007 A CB 0.263 19.223 19.000 -0.067 0.000 0.992 1007 A HN 0.777 nan 8.150 nan 0.000 0.502 1008 R N -1.496 118.937 120.500 -0.110 0.000 2.634 1008 R HA 0.470 4.809 4.340 -0.001 0.000 0.263 1008 R C -2.373 173.903 176.300 -0.041 0.000 1.060 1008 R CA -0.300 55.799 56.100 -0.001 0.000 0.898 1008 R CB 1.401 31.718 30.300 0.028 0.000 1.253 1008 R HN 0.314 nan 8.270 nan 0.000 0.461 1009 c N 2.841 121.464 118.600 0.038 0.000 2.481 1009 c HA 0.612 5.181 4.570 -0.001 0.000 0.324 1009 c C -1.174 173.002 174.090 0.143 0.000 1.170 1009 c CA -0.208 56.146 56.329 0.042 0.000 1.361 1009 c CB 1.267 43.761 42.510 -0.027 0.000 1.977 1009 c HN 0.927 nan 8.230 nan 0.000 0.459 1010 E N 2.939 123.254 120.200 0.191 0.000 2.266 1010 E HA 0.457 4.807 4.350 -0.001 0.000 0.268 1010 E C -0.931 175.839 176.600 0.284 0.000 0.879 1010 E CA -0.625 55.906 56.400 0.218 0.000 0.762 1010 E CB 1.895 31.692 29.700 0.160 0.000 1.199 1010 E HN 0.652 nan 8.360 nan 0.000 0.422 1011 R N 1.386 122.030 120.500 0.241 0.000 2.357 1011 R HA 0.344 4.684 4.340 -0.001 0.000 0.296 1011 R C -0.511 175.818 176.300 0.048 0.000 1.052 1011 R CA 0.100 56.265 56.100 0.109 0.000 0.988 1011 R CB 0.676 31.017 30.300 0.069 0.000 1.025 1011 R HN 0.698 nan 8.270 nan 0.000 0.469 1012 T N -0.410 114.143 114.554 -0.001 0.000 2.864 1012 T HA 0.355 4.704 4.350 -0.001 0.000 0.289 1012 T C 0.055 174.735 174.700 -0.032 0.000 1.082 1012 T CA -0.805 61.317 62.100 0.037 0.000 1.009 1012 T CB 1.367 70.327 68.868 0.155 0.000 1.234 1012 T HN 0.617 nan 8.240 nan 0.000 0.526 1013 T N 0.220 114.759 114.554 -0.024 0.000 2.795 1013 T HA 0.226 4.575 4.350 -0.001 0.000 0.314 1013 T C 1.626 176.241 174.700 -0.142 0.000 1.069 1013 T CA -0.722 61.340 62.100 -0.064 0.000 1.071 1013 T CB -0.058 68.790 68.868 -0.034 0.000 0.988 1013 T HN 0.569 nan 8.240 nan 0.000 0.543 1014 L N 1.000 122.123 121.223 -0.167 0.000 2.353 1014 L HA -0.033 4.307 4.340 -0.001 0.000 0.220 1014 L C 2.759 179.330 176.870 -0.499 0.000 1.133 1014 L CA 1.360 56.029 54.840 -0.284 0.000 0.798 1014 L CB -1.084 40.894 42.059 -0.136 0.000 0.922 1014 L HN 0.973 nan 8.230 nan 0.000 0.445 1015 T N -5.088 109.277 114.554 -0.315 0.000 3.107 1015 T HA 0.041 4.390 4.350 -0.001 0.000 0.249 1015 T C 0.725 175.318 174.700 -0.178 0.000 1.096 1015 T CA -0.286 61.664 62.100 -0.250 0.000 1.012 1015 T CB -0.125 68.721 68.868 -0.035 0.000 0.977 1015 T HN 0.190 nan 8.240 nan 0.000 0.527 1016 F N -0.625 119.335 119.950 0.016 0.000 2.914 1016 F HA -0.197 4.330 4.527 -0.001 0.000 0.304 1016 F C 1.021 176.819 175.800 -0.003 0.000 0.712 1016 F CA -0.094 57.908 58.000 0.004 0.000 1.211 1016 F CB -2.373 36.625 39.000 -0.003 0.000 1.515 1016 F HN 0.250 nan 8.300 nan 0.000 0.350 1017 L N -0.910 120.382 121.223 0.115 0.000 2.509 1017 L HA 0.081 4.420 4.340 -0.001 0.000 0.222 1017 L C 1.093 177.983 176.870 0.034 0.000 1.123 1017 L CA 0.925 55.803 54.840 0.065 0.000 0.856 1017 L CB 0.109 42.189 42.059 0.036 0.000 0.985 1017 L HN 0.367 nan 8.230 nan 0.000 0.456 1018 Q N 0.446 120.267 119.800 0.034 0.000 2.305 1018 Q HA 0.270 4.609 4.340 -0.001 0.000 0.271 1018 Q C -1.240 174.777 176.000 0.028 0.000 1.046 1018 Q CA -0.708 55.104 55.803 0.015 0.000 0.798 1018 Q CB 1.963 30.695 28.738 -0.009 0.000 1.286 1018 Q HN 0.077 nan 8.270 nan 0.000 0.435 1019 N N 4.460 123.175 118.700 0.026 0.000 2.458 1019 N HA 0.196 4.936 4.740 -0.001 0.000 0.270 1019 N C 0.316 175.843 175.510 0.029 0.000 1.102 1019 N CA 0.190 53.263 53.050 0.038 0.000 0.967 1019 N CB 1.087 39.594 38.487 0.032 0.000 1.078 1019 N HN 0.635 nan 8.380 nan 0.000 0.471 1020 L N 0.515 121.759 121.223 0.036 0.000 2.537 1020 L HA 0.304 4.643 4.340 -0.001 0.000 0.224 1020 L C 0.609 177.507 176.870 0.046 0.000 1.065 1020 L CA 0.409 55.264 54.840 0.025 0.000 0.860 1020 L CB 0.327 42.389 42.059 0.006 0.000 1.086 1020 L HN 0.516 nan 8.230 nan 0.000 0.482 1021 E N -0.452 119.795 120.200 0.078 0.000 2.354 1021 E HA 0.130 4.480 4.350 -0.001 0.000 0.283 1021 E C -1.366 175.333 176.600 0.164 0.000 0.938 1021 E CA -0.546 55.916 56.400 0.104 0.000 0.777 1021 E CB 1.549 31.303 29.700 0.091 0.000 1.222 1021 E HN 0.094 nan 8.360 nan 0.000 0.423 1022 H N 5.961 125.057 119.070 0.043 0.000 2.552 1022 H HA 0.343 4.899 4.556 -0.001 0.000 0.311 1022 H C -0.803 174.550 175.328 0.042 0.000 1.071 1022 H CA -0.590 55.481 56.048 0.038 0.000 1.307 1022 H CB 0.687 30.462 29.762 0.021 0.000 1.416 1022 H HN 0.367 nan 8.280 nan 0.000 0.464 1023 L N 5.192 126.333 121.223 -0.137 0.000 2.292 1023 L HA 0.126 4.465 4.340 -0.001 0.000 0.284 1023 L C 0.227 176.942 176.870 -0.257 0.000 1.065 1023 L CA -0.856 53.898 54.840 -0.142 0.000 0.806 1023 L CB 1.107 43.154 42.059 -0.019 0.000 1.175 1023 L HN 0.635 nan 8.230 nan 0.000 0.431 1024 D N 2.632 122.926 120.400 -0.176 0.000 2.455 1024 D HA 0.136 4.775 4.640 -0.001 0.000 0.241 1024 D C 1.185 177.434 176.300 -0.086 0.000 1.138 1024 D CA 1.282 55.198 54.000 -0.140 0.000 0.877 1024 D CB 1.306 42.058 40.800 -0.080 0.000 1.187 1024 D HN 0.845 nan 8.370 nan 0.000 0.451 1025 G N 2.982 111.742 108.800 -0.067 0.000 2.175 1025 G HA2 -0.401 3.558 3.960 -0.001 0.000 0.265 1025 G HA3 -0.401 3.558 3.960 -0.001 0.000 0.265 1025 G C 0.810 175.736 174.900 0.043 0.000 0.979 1025 G CA 0.477 45.571 45.100 -0.011 0.000 0.663 1025 G HN 0.643 nan 8.290 nan 0.000 0.533 1026 M N -2.531 117.060 119.600 -0.016 0.000 2.576 1026 M HA -0.186 4.294 4.480 -0.001 0.000 0.200 1026 M C 0.065 176.395 176.300 0.050 0.000 0.487 1026 M CA 0.880 56.172 55.300 -0.014 0.000 0.553 1026 M CB -1.819 30.756 32.600 -0.042 0.000 2.042 1026 M HN 0.231 nan 8.290 nan 0.000 0.758 1027 V N 0.742 120.667 119.914 0.019 0.000 2.417 1027 V HA 0.731 4.851 4.120 -0.001 0.000 0.291 1027 V C 0.564 176.582 176.094 -0.126 0.000 1.024 1027 V CA -0.322 61.978 62.300 0.001 0.000 0.861 1027 V CB 1.822 33.635 31.823 -0.017 0.000 0.985 1027 V HN 0.374 nan 8.190 nan 0.000 0.436 1028 A N 8.086 130.751 122.820 -0.259 0.000 2.279 1028 A HA 0.757 5.076 4.320 -0.001 0.000 0.306 1028 A C -2.396 174.914 177.584 -0.457 0.000 1.300 1028 A CA -1.448 50.211 52.037 -0.630 0.000 0.925 1028 A CB 0.090 18.418 19.000 -1.121 0.000 1.152 1028 A HN 0.619 nan 8.150 nan 0.000 0.544 1029 P HA 0.196 nan 4.420 nan 0.000 0.272 1029 P C -0.157 177.122 177.300 -0.035 0.000 1.223 1029 P CA -0.200 62.845 63.100 -0.092 0.000 0.784 1029 P CB 0.590 32.292 31.700 0.003 0.000 0.923 1030 E N -0.213 119.982 120.200 -0.008 0.000 2.392 1030 E HA 0.253 4.603 4.350 -0.001 0.000 0.259 1030 E C 0.109 176.751 176.600 0.070 0.000 1.108 1030 E CA -0.824 55.596 56.400 0.035 0.000 0.916 1030 E CB 0.571 30.275 29.700 0.007 0.000 0.989 1030 E HN 0.315 nan 8.360 nan 0.000 0.432 1031 V N -1.182 118.779 119.914 0.078 0.000 2.973 1031 V HA 0.337 4.456 4.120 -0.001 0.000 0.314 1031 V C 0.146 176.238 176.094 -0.003 0.000 1.066 1031 V CA -1.045 61.289 62.300 0.057 0.000 1.021 1031 V CB 1.239 33.103 31.823 0.068 0.000 1.076 1031 V HN 0.740 nan 8.190 nan 0.000 0.462 1032 c N 2.641 121.235 118.600 -0.010 0.000 2.580 1032 c HA 0.447 5.016 4.570 -0.001 0.000 0.371 1032 c C -2.068 171.964 174.090 -0.096 0.000 1.308 1032 c CA -0.323 55.982 56.329 -0.040 0.000 2.428 1032 c CB 0.003 42.507 42.510 -0.011 0.000 2.529 1032 c HN 0.827 nan 8.230 nan 0.000 0.657 1033 P HA 0.058 nan 4.420 nan 0.000 0.265 1033 P C 0.224 177.370 177.300 -0.257 0.000 1.193 1033 P CA 0.843 63.806 63.100 -0.228 0.000 0.765 1033 P CB 0.186 31.730 31.700 -0.258 0.000 0.823 1034 M N -1.197 118.204 119.600 -0.332 0.000 2.908 1034 M HA -0.182 4.297 4.480 -0.001 0.000 0.191 1034 M C -0.176 176.119 176.300 -0.009 0.000 0.619 1034 M CA 1.356 56.450 55.300 -0.343 0.000 0.709 1034 M CB -2.095 29.980 32.600 -0.875 0.000 2.554 1034 M HN 0.424 nan 8.290 nan 0.000 0.356 1035 E N 0.311 120.498 120.200 -0.021 0.000 2.212 1035 E HA 0.715 5.065 4.350 -0.001 0.000 0.270 1035 E C -0.007 176.652 176.600 0.098 0.000 0.956 1035 E CA -0.106 56.359 56.400 0.109 0.000 0.825 1035 E CB 1.592 31.323 29.700 0.051 0.000 1.167 1035 E HN 0.134 nan 8.360 nan 0.000 0.400 1036 T N 0.609 115.242 114.554 0.132 0.000 2.881 1036 T HA 0.701 5.051 4.350 -0.001 0.000 0.290 1036 T C -0.886 173.820 174.700 0.010 0.000 1.000 1036 T CA -0.647 61.536 62.100 0.138 0.000 0.978 1036 T CB 1.582 70.543 68.868 0.155 0.000 0.997 1036 T HN 0.503 nan 8.240 nan 0.000 0.443 1037 A N 1.911 124.741 122.820 0.015 0.000 2.515 1037 A HA 0.997 5.316 4.320 -0.001 0.000 0.296 1037 A C -1.033 176.443 177.584 -0.180 0.000 1.094 1037 A CA -0.933 51.018 52.037 -0.143 0.000 0.718 1037 A CB 1.539 20.410 19.000 -0.214 0.000 1.307 1037 A HN 1.111 nan 8.150 nan 0.000 0.408 1038 A N 0.287 122.911 122.820 -0.327 0.000 2.365 1038 A HA 0.831 5.150 4.320 -0.001 0.000 0.318 1038 A C -1.593 175.794 177.584 -0.328 0.000 1.091 1038 A CA -0.355 51.598 52.037 -0.139 0.000 0.763 1038 A CB 0.764 19.715 19.000 -0.082 0.000 1.248 1038 A HN 0.862 nan 8.150 nan 0.000 0.442 1039 Y N 0.062 120.577 120.300 0.359 0.000 2.512 1039 Y HA 0.571 5.120 4.550 -0.001 0.000 0.348 1039 Y C -0.263 175.812 175.900 0.292 0.000 0.990 1039 Y CA -0.905 57.363 58.100 0.279 0.000 1.033 1039 Y CB 2.474 41.059 38.460 0.208 0.000 1.259 1039 Y HN 0.411 nan 8.280 nan 0.000 0.461 1040 V N 2.468 122.583 119.914 0.335 0.000 2.444 1040 V HA 0.496 4.615 4.120 -0.001 0.000 0.294 1040 V C -0.617 175.566 176.094 0.149 0.000 1.022 1040 V CA -0.917 61.474 62.300 0.150 0.000 0.850 1040 V CB 1.731 33.581 31.823 0.044 0.000 0.992 1040 V HN 0.834 nan 8.190 nan 0.000 0.426 1041 S N 3.477 119.272 115.700 0.158 0.000 2.508 1041 S HA 0.713 5.182 4.470 -0.001 0.000 0.284 1041 S C -0.228 174.314 174.600 -0.097 0.000 1.192 1041 S CA -0.589 57.634 58.200 0.038 0.000 1.070 1041 S CB 1.604 64.913 63.200 0.181 0.000 1.004 1041 S HN 0.555 nan 8.310 nan 0.000 0.493 1042 S N 2.417 117.928 115.700 -0.316 0.000 2.472 1042 S HA 0.519 4.989 4.470 -0.001 0.000 0.303 1042 S C -0.902 173.357 174.600 -0.567 0.000 1.099 1042 S CA -0.762 57.281 58.200 -0.262 0.000 1.077 1042 S CB 0.491 63.616 63.200 -0.125 0.000 1.031 1042 S HN 0.781 nan 8.310 nan 0.000 0.487 1043 H N 0.969 120.029 119.070 -0.016 0.000 2.667 1043 H HA 0.428 4.983 4.556 -0.001 0.000 0.353 1043 H C -0.090 175.235 175.328 -0.006 0.000 1.072 1043 H CA -0.595 55.446 56.048 -0.012 0.000 1.214 1043 H CB 1.814 31.571 29.762 -0.008 0.000 1.600 1043 H HN 0.681 nan 8.280 nan 0.000 0.527 1044 S N 0.000 115.747 115.700 0.079 0.000 2.498 1044 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.230 58.200 0.049 0.000 1.107 1044 S CB 0.000 63.215 63.200 0.026 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517