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 2fyv_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 0.021 0.000 1.270 31 c CA 0.000 56.336 56.329 0.012 0.000 1.963 31 c CB 0.000 42.503 42.510 -0.011 0.000 2.134 32 Q N 1.266 121.095 119.800 0.047 0.000 2.454 32 Q HA 0.160 4.500 4.340 -0.001 0.000 0.247 32 Q C -0.148 175.880 176.000 0.047 0.000 1.028 32 Q CA 0.286 56.130 55.803 0.069 0.000 0.910 32 Q CB 0.783 29.599 28.738 0.129 0.000 1.276 32 Q HN 0.667 nan 8.270 nan 0.000 0.489 33 D N 1.337 121.769 120.400 0.053 0.000 2.347 33 D HA 0.074 4.714 4.640 -0.001 0.000 0.235 33 D C 0.411 176.754 176.300 0.072 0.000 1.149 33 D CA -0.237 53.776 54.000 0.021 0.000 0.850 33 D CB 1.275 42.089 40.800 0.024 0.000 1.061 33 D HN 0.388 nan 8.370 nan 0.000 0.487 34 V N 2.285 122.197 119.914 -0.003 0.000 3.649 34 V HA 0.068 4.187 4.120 -0.001 0.000 0.275 34 V C 1.078 177.215 176.094 0.072 0.000 1.281 34 V CA 0.200 62.563 62.300 0.105 0.000 1.143 34 V CB 0.098 31.848 31.823 -0.123 0.000 0.892 34 V HN 0.377 nan 8.190 nan 0.000 0.441 35 V N 0.094 119.965 119.914 -0.072 0.000 2.806 35 V HA 0.082 4.201 4.120 -0.001 0.000 0.239 35 V C 2.311 178.381 176.094 -0.040 0.000 1.113 35 V CA 1.296 63.512 62.300 -0.140 0.000 1.137 35 V CB -0.136 31.566 31.823 -0.202 0.000 0.865 35 V HN 0.496 nan 8.190 nan 0.000 0.482 36 Q N -0.208 119.616 119.800 0.040 0.000 2.356 36 Q HA 0.123 4.463 4.340 -0.001 0.000 0.205 36 Q C -0.476 175.611 176.000 0.145 0.000 0.901 36 Q CA 0.260 56.113 55.803 0.084 0.000 0.938 36 Q CB 0.542 29.302 28.738 0.035 0.000 1.081 36 Q HN 0.500 nan 8.270 nan 0.000 0.517 37 D N 1.212 121.725 120.400 0.188 0.000 2.441 37 D HA 0.177 4.817 4.640 -0.001 0.000 0.231 37 D C -0.704 175.708 176.300 0.187 0.000 1.073 37 D CA -0.243 53.850 54.000 0.156 0.000 0.850 37 D CB 2.034 42.904 40.800 0.117 0.000 1.062 37 D HN -0.164 nan 8.370 nan 0.000 0.524 38 V N 4.467 124.459 119.914 0.130 0.000 2.470 38 V HA 0.152 4.272 4.120 -0.001 0.000 0.276 38 V C -1.812 174.257 176.094 -0.042 0.000 1.040 38 V CA -1.158 61.137 62.300 -0.008 0.000 1.008 38 V CB 0.589 32.412 31.823 0.001 0.000 0.990 38 V HN 0.326 nan 8.190 nan 0.000 0.477 39 P HA 0.132 nan 4.420 nan 0.000 0.269 39 P C -0.567 176.703 177.300 -0.049 0.000 1.209 39 P CA -0.248 62.819 63.100 -0.054 0.000 0.776 39 P CB 0.386 32.040 31.700 -0.077 0.000 0.876 40 N N 2.021 120.708 118.700 -0.022 0.000 2.485 40 N HA 0.363 5.102 4.740 -0.001 0.000 0.243 40 N C -1.157 174.345 175.510 -0.014 0.000 0.987 40 N CA -0.471 52.569 53.050 -0.017 0.000 0.940 40 N CB 0.168 38.654 38.487 -0.002 0.000 1.122 40 N HN 0.125 nan 8.380 nan 0.000 0.509 41 V N 0.369 120.268 119.914 -0.026 0.000 2.960 41 V HA 0.553 4.672 4.120 -0.001 0.000 0.315 41 V C 0.590 176.670 176.094 -0.023 0.000 1.087 41 V CA -0.719 61.570 62.300 -0.019 0.000 0.982 41 V CB 2.068 33.869 31.823 -0.036 0.000 1.039 41 V HN 0.374 nan 8.190 nan 0.000 0.437 42 D N 0.979 121.372 120.400 -0.011 0.000 2.144 42 D HA 0.019 4.659 4.640 -0.001 0.000 0.200 42 D C 0.495 176.766 176.300 -0.048 0.000 0.978 42 D CA 1.599 55.590 54.000 -0.016 0.000 0.833 42 D CB 0.452 41.258 40.800 0.009 0.000 0.961 42 D HN 0.426 nan 8.370 nan 0.000 0.470 43 V N 1.422 121.287 119.914 -0.081 0.000 2.525 43 V HA 0.211 4.330 4.120 -0.001 0.000 0.299 43 V C -0.383 175.620 176.094 -0.151 0.000 1.034 43 V CA -0.761 61.462 62.300 -0.127 0.000 0.863 43 V CB 2.456 34.162 31.823 -0.195 0.000 0.999 43 V HN -0.092 nan 8.190 nan 0.000 0.423 44 Q N 4.611 124.333 119.800 -0.129 0.000 2.357 44 Q HA 0.422 4.761 4.340 -0.001 0.000 0.266 44 Q C 0.497 176.407 176.000 -0.149 0.000 1.021 44 Q CA -0.698 55.022 55.803 -0.138 0.000 0.784 44 Q CB 1.844 30.521 28.738 -0.103 0.000 1.243 44 Q HN 0.687 nan 8.270 nan 0.000 0.465 45 M N 2.959 122.424 119.600 -0.225 0.000 2.202 45 M HA -0.190 4.289 4.480 -0.001 0.000 0.262 45 M C 1.610 177.819 176.300 -0.152 0.000 1.063 45 M CA 1.087 56.247 55.300 -0.232 0.000 1.097 45 M CB -0.867 31.461 32.600 -0.454 0.000 1.382 45 M HN 0.567 nan 8.290 nan 0.000 0.413 46 L N 0.565 121.688 121.223 -0.167 0.000 2.056 46 L HA -0.115 4.224 4.340 -0.001 0.000 0.207 46 L C 2.479 179.348 176.870 -0.001 0.000 1.078 46 L CA 1.810 56.581 54.840 -0.115 0.000 0.749 46 L CB -0.671 41.294 42.059 -0.157 0.000 0.901 46 L HN 0.258 nan 8.230 nan 0.000 0.433 47 E N -0.342 119.842 120.200 -0.027 0.000 2.072 47 E HA -0.228 4.122 4.350 -0.001 0.000 0.191 47 E C 2.176 178.795 176.600 0.031 0.000 0.985 47 E CA 1.408 57.806 56.400 -0.003 0.000 0.801 47 E CB -0.275 29.407 29.700 -0.029 0.000 0.750 47 E HN 0.441 nan 8.360 nan 0.000 0.452 48 L N 0.450 121.694 121.223 0.035 0.000 2.046 48 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 48 L C 2.188 179.139 176.870 0.136 0.000 1.077 48 L CA 1.631 56.500 54.840 0.048 0.000 0.747 48 L CB -1.018 41.061 42.059 0.033 0.000 0.896 48 L HN 0.104 nan 8.230 nan 0.000 0.432 49 Y N 0.004 120.319 120.300 0.024 0.000 2.224 49 Y HA -0.239 4.310 4.550 -0.001 0.000 0.289 49 Y C 2.539 178.539 175.900 0.167 0.000 1.146 49 Y CA 1.674 59.873 58.100 0.164 0.000 1.182 49 Y CB -0.588 37.961 38.460 0.148 0.000 0.983 49 Y HN 0.348 nan 8.280 nan 0.000 0.524 50 D N -0.567 119.947 120.400 0.190 0.000 2.117 50 D HA -0.123 4.516 4.640 -0.001 0.000 0.197 50 D C 2.067 178.409 176.300 0.070 0.000 0.987 50 D CA 1.326 55.389 54.000 0.106 0.000 0.829 50 D CB 0.067 40.903 40.800 0.061 0.000 0.961 50 D HN 0.257 nan 8.370 nan 0.000 0.460 51 R N -0.954 119.571 120.500 0.041 0.000 2.140 51 R HA 0.175 4.514 4.340 -0.001 0.000 0.213 51 R C 0.959 177.242 176.300 -0.028 0.000 1.059 51 R CA -0.028 56.073 56.100 0.002 0.000 1.000 51 R CB -0.005 30.282 30.300 -0.021 0.000 0.910 51 R HN 0.209 nan 8.270 nan 0.000 0.455 52 M N 1.116 120.671 119.600 -0.075 0.000 2.252 52 M HA -0.081 4.399 4.480 -0.001 0.000 0.329 52 M C 1.442 177.663 176.300 -0.132 0.000 1.101 52 M CA 0.349 55.511 55.300 -0.230 0.000 1.117 52 M CB 1.137 33.382 32.600 -0.593 0.000 1.563 52 M HN 0.125 nan 8.290 nan 0.000 0.445 53 S N 1.571 117.166 115.700 -0.176 0.000 2.458 53 S HA 0.019 4.488 4.470 -0.001 0.000 0.223 53 S C 0.764 175.415 174.600 0.086 0.000 1.019 53 S CA 0.014 58.198 58.200 -0.025 0.000 0.937 53 S CB -0.244 62.929 63.200 -0.045 0.000 0.788 53 S HN 0.785 nan 8.310 nan 0.000 0.511 54 F N 0.679 120.542 119.950 -0.146 0.000 3.093 54 F HA -0.163 4.363 4.527 -0.001 0.000 0.283 54 F C 0.397 176.194 175.800 -0.005 0.000 0.848 54 F CA 0.520 58.434 58.000 -0.143 0.000 1.059 54 F CB -1.749 37.145 39.000 -0.177 0.000 1.191 54 F HN 0.109 nan 8.300 nan 0.000 0.514 55 K N 1.128 121.596 120.400 0.112 0.000 2.350 55 K HA 0.141 4.461 4.320 -0.001 0.000 0.279 55 K C 0.229 176.938 176.600 0.181 0.000 1.027 55 K CA -0.112 56.253 56.287 0.130 0.000 0.969 55 K CB 0.595 33.134 32.500 0.065 0.000 0.954 55 K HN 0.039 nan 8.250 nan 0.000 0.474 56 D N 3.126 123.650 120.400 0.207 0.000 2.557 56 D HA 0.169 4.809 4.640 -0.001 0.000 0.236 56 D C -0.560 175.794 176.300 0.090 0.000 1.154 56 D CA -0.622 53.513 54.000 0.226 0.000 0.985 56 D CB -0.573 40.376 40.800 0.248 0.000 1.010 56 D HN 0.381 nan 8.370 nan 0.000 0.516 57 I N -0.769 119.838 120.570 0.061 0.000 2.577 57 I HA 0.472 4.641 4.170 -0.001 0.000 0.305 57 I C -0.034 176.076 176.117 -0.011 0.000 0.986 57 I CA -0.782 60.530 61.300 0.020 0.000 1.189 57 I CB 1.308 39.319 38.000 0.017 0.000 1.355 57 I HN -0.114 nan 8.210 nan 0.000 0.476 58 D N 4.025 124.414 120.400 -0.017 0.000 2.358 58 D HA 0.201 4.840 4.640 -0.001 0.000 0.258 58 D C 0.960 177.245 176.300 -0.026 0.000 1.223 58 D CA 0.200 54.182 54.000 -0.029 0.000 0.886 58 D CB 1.288 42.078 40.800 -0.016 0.000 1.120 58 D HN 0.874 nan 8.370 nan 0.000 0.482 59 G N 2.468 111.235 108.800 -0.056 0.000 3.233 59 G HA2 0.449 4.408 3.960 -0.001 0.000 0.227 59 G HA3 0.449 4.408 3.960 -0.001 0.000 0.227 59 G C 0.877 175.775 174.900 -0.003 0.000 1.175 59 G CA 0.339 45.411 45.100 -0.047 0.000 0.781 59 G HN 0.918 nan 8.290 nan 0.000 0.542 60 G N -0.539 108.265 108.800 0.007 0.000 2.475 60 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.223 60 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.223 60 G C 1.225 176.144 174.900 0.032 0.000 1.201 60 G CA 0.678 45.794 45.100 0.027 0.000 0.962 60 G HN 1.112 nan 8.290 nan 0.000 0.586 61 V N -3.701 116.232 119.914 0.032 0.000 2.392 61 V HA 0.062 4.182 4.120 -0.001 0.000 0.249 61 V C 1.463 177.580 176.094 0.039 0.000 1.059 61 V CA 2.450 64.751 62.300 0.002 0.000 1.051 61 V CB -0.528 31.263 31.823 -0.052 0.000 0.658 61 V HN 1.371 nan 8.190 nan 0.000 0.455 62 W N 2.652 123.857 121.300 -0.157 0.000 2.226 62 W HA 0.447 5.106 4.660 -0.001 0.000 0.379 62 W C 1.146 177.620 176.519 -0.074 0.000 0.923 62 W CA -1.853 55.387 57.345 -0.174 0.000 1.524 62 W CB 0.125 29.450 29.460 -0.225 0.000 1.552 62 W HN 0.060 nan 8.180 nan 0.000 0.337 63 K N 2.328 122.800 120.400 0.119 0.000 2.127 63 K HA -0.222 4.098 4.320 -0.001 0.000 0.208 63 K C 0.827 177.345 176.600 -0.136 0.000 1.047 63 K CA 1.662 57.936 56.287 -0.022 0.000 0.927 63 K CB 0.055 32.535 32.500 -0.033 0.000 0.716 63 K HN 0.569 nan 8.250 nan 0.000 0.450 64 Q N -0.936 118.742 119.800 -0.204 0.000 2.172 64 Q HA 0.189 4.529 4.340 -0.001 0.000 0.217 64 Q C 0.810 176.453 176.000 -0.595 0.000 0.832 64 Q CA -0.277 55.386 55.803 -0.235 0.000 1.010 64 Q CB 1.338 30.077 28.738 0.001 0.000 1.133 64 Q HN 0.235 nan 8.270 nan 0.000 0.489 65 G N 0.677 108.709 108.800 -1.280 0.000 3.364 65 G HA2 0.537 4.497 3.960 -0.001 0.000 0.191 65 G HA3 0.537 4.497 3.960 -0.001 0.000 0.191 65 G C -1.431 173.154 174.900 -0.524 0.000 1.352 65 G CA -0.254 43.800 45.100 -1.744 0.000 0.758 65 G HN 0.356 nan 8.290 nan 0.000 0.730 66 W N -1.383 119.619 121.300 -0.497 0.000 2.959 66 W HA 0.615 5.275 4.660 -0.000 0.000 0.358 66 W C -1.523 175.073 176.519 0.128 0.000 1.228 66 W CA -1.156 56.125 57.345 -0.107 0.000 1.183 66 W CB 0.588 30.002 29.460 -0.076 0.000 1.467 66 W HN 0.186 nan 8.180 nan 0.000 0.578 67 N N 2.189 121.047 118.700 0.263 0.000 2.402 67 N HA 0.214 4.953 4.740 -0.001 0.000 0.259 67 N C -0.199 175.461 175.510 0.250 0.000 1.167 67 N CA 0.076 53.234 53.050 0.181 0.000 0.949 67 N CB 0.270 38.859 38.487 0.170 0.000 1.212 67 N HN 0.406 nan 8.380 nan 0.000 0.493 68 I N 1.885 122.498 120.570 0.073 0.000 2.692 68 I HA 0.001 4.171 4.170 -0.001 0.000 0.284 68 I C 0.863 177.150 176.117 0.284 0.000 1.159 68 I CA 0.457 61.881 61.300 0.206 0.000 1.423 68 I CB 0.514 38.584 38.000 0.117 0.000 1.380 68 I HN 0.141 nan 8.210 nan 0.000 0.580 69 K N 5.482 126.087 120.400 0.341 0.000 2.426 69 K HA 0.570 4.889 4.320 -0.001 0.000 0.251 69 K C -1.501 175.282 176.600 0.304 0.000 0.941 69 K CA -0.762 55.662 56.287 0.229 0.000 0.808 69 K CB 2.584 35.172 32.500 0.147 0.000 1.265 69 K HN 0.490 nan 8.250 nan 0.000 0.432 70 Y N -1.857 118.539 120.300 0.159 0.000 2.581 70 Y HA 0.443 4.993 4.550 -0.001 0.000 0.345 70 Y C -1.043 174.938 175.900 0.135 0.000 1.036 70 Y CA -1.467 56.731 58.100 0.162 0.000 1.042 70 Y CB 1.216 39.799 38.460 0.205 0.000 1.289 70 Y HN 0.389 nan 8.280 nan 0.000 0.471 71 D N 4.074 124.638 120.400 0.274 0.000 2.347 71 D HA 0.272 4.912 4.640 -0.001 0.000 0.235 71 D C -1.656 174.819 176.300 0.292 0.000 1.149 71 D CA -2.762 51.337 54.000 0.166 0.000 0.850 71 D CB 1.461 42.323 40.800 0.103 0.000 1.061 71 D HN 0.432 nan 8.370 nan 0.000 0.487 72 P HA -0.137 nan 4.420 nan 0.000 0.220 72 P C 1.227 178.694 177.300 0.278 0.000 1.144 72 P CA 0.783 64.101 63.100 0.362 0.000 0.800 72 P CB 0.324 32.160 31.700 0.227 0.000 0.772 73 L N -0.876 120.448 121.223 0.168 0.000 2.591 73 L HA 0.138 4.478 4.340 -0.001 0.000 0.228 73 L C 2.558 179.463 176.870 0.058 0.000 1.133 73 L CA 0.221 55.129 54.840 0.113 0.000 0.880 73 L CB -0.615 41.486 42.059 0.069 0.000 1.033 73 L HN -0.045 nan 8.230 nan 0.000 0.450 74 K N 0.593 121.000 120.400 0.011 0.000 2.147 74 K HA -0.125 4.195 4.320 -0.001 0.000 0.205 74 K C -0.255 176.139 176.600 -0.343 0.000 1.049 74 K CA 1.124 57.272 56.287 -0.232 0.000 0.936 74 K CB 0.156 32.418 32.500 -0.397 0.000 0.722 74 K HN 0.118 nan 8.250 nan 0.000 0.446 75 Y N 0.504 120.917 120.300 0.188 0.000 2.429 75 Y HA 0.296 4.846 4.550 -0.000 0.000 0.342 75 Y C -0.223 175.751 175.900 0.123 0.000 1.004 75 Y CA -1.218 56.992 58.100 0.183 0.000 1.075 75 Y CB 1.614 40.149 38.460 0.125 0.000 1.214 75 Y HN 0.181 nan 8.280 nan 0.000 0.455 76 N N -0.716 118.129 118.700 0.243 0.000 3.106 76 N HA 0.534 5.274 4.740 -0.001 0.000 0.253 76 N C 0.103 175.616 175.510 0.005 0.000 1.506 76 N CA -0.491 52.617 53.050 0.096 0.000 0.876 76 N CB 0.495 39.015 38.487 0.054 0.000 1.452 76 N HN 0.521 nan 8.380 nan 0.000 0.542 77 A N -0.901 121.823 122.820 -0.160 0.000 1.958 77 A HA -0.255 4.065 4.320 -0.001 0.000 0.221 77 A C 1.113 178.559 177.584 -0.231 0.000 1.178 77 A CA 1.709 53.596 52.037 -0.251 0.000 0.642 77 A CB -1.182 17.589 19.000 -0.381 0.000 0.816 77 A HN 0.730 nan 8.150 nan 0.000 0.453 78 H N -2.734 116.389 119.070 0.089 0.000 2.563 78 H HA 0.102 4.657 4.556 -0.001 0.000 0.264 78 H C 0.237 175.658 175.328 0.156 0.000 0.957 78 H CA 0.810 56.914 56.048 0.095 0.000 1.173 78 H CB 0.067 29.879 29.762 0.083 0.000 1.420 78 H HN 0.673 nan 8.280 nan 0.000 0.551 79 H N 1.114 120.251 119.070 0.112 0.000 2.607 79 H HA 0.268 4.824 4.556 -0.000 0.000 0.248 79 H C -0.590 174.850 175.328 0.186 0.000 1.355 79 H CA -0.258 55.865 56.048 0.124 0.000 1.524 79 H CB 0.487 30.307 29.762 0.097 0.000 1.563 79 H HN 0.130 nan 8.280 nan 0.000 0.509 80 K N 1.877 122.252 120.400 -0.043 0.000 2.087 80 K HA 0.222 4.542 4.320 -0.001 0.000 0.255 80 K C -0.382 176.151 176.600 -0.111 0.000 0.988 80 K CA -1.088 55.185 56.287 -0.024 0.000 0.915 80 K CB 1.867 34.324 32.500 -0.071 0.000 1.043 80 K HN 0.129 nan 8.250 nan 0.000 0.457 81 L N 2.426 123.517 121.223 -0.220 0.000 2.278 81 L HA 0.146 4.485 4.340 -0.001 0.000 0.287 81 L C -0.823 175.860 176.870 -0.312 0.000 1.072 81 L CA 0.257 54.903 54.840 -0.324 0.000 0.819 81 L CB 0.164 41.827 42.059 -0.660 0.000 1.176 81 L HN 0.366 nan 8.230 nan 0.000 0.435 82 K N 5.148 125.369 120.400 -0.297 0.000 2.262 82 K HA 0.451 4.771 4.320 -0.001 0.000 0.282 82 K C -1.086 175.189 176.600 -0.543 0.000 1.066 82 K CA -0.648 55.379 56.287 -0.433 0.000 0.901 82 K CB 1.585 33.853 32.500 -0.387 0.000 1.089 82 K HN 0.378 nan 8.250 nan 0.000 0.476 83 V N 4.736 124.221 119.914 -0.715 0.000 2.417 83 V HA 0.361 4.481 4.120 -0.001 0.000 0.291 83 V C -0.771 174.824 176.094 -0.832 0.000 1.024 83 V CA -0.763 61.069 62.300 -0.781 0.000 0.861 83 V CB 0.541 31.705 31.823 -1.099 0.000 0.985 83 V HN 0.527 nan 8.190 nan 0.000 0.436 84 F N 3.641 123.343 119.950 -0.414 0.000 2.402 84 F HA 0.511 5.037 4.527 -0.001 0.000 0.355 84 F C 0.119 175.744 175.800 -0.292 0.000 1.123 84 F CA -0.731 57.083 58.000 -0.310 0.000 1.021 84 F CB 1.839 40.727 39.000 -0.186 0.000 1.160 84 F HN 0.174 nan 8.300 nan 0.000 0.451 85 V N 5.104 125.007 119.914 -0.018 0.000 2.364 85 V HA 0.300 4.420 4.120 -0.001 0.000 0.272 85 V C -0.241 175.952 176.094 0.166 0.000 1.036 85 V CA -0.652 61.690 62.300 0.071 0.000 0.880 85 V CB 1.231 33.176 31.823 0.203 0.000 0.991 85 V HN 0.439 nan 8.190 nan 0.000 0.460 86 V N 8.508 128.464 119.914 0.070 0.000 2.294 86 V HA 0.313 4.433 4.120 -0.001 0.000 0.272 86 V C -2.312 173.809 176.094 0.045 0.000 1.027 86 V CA -1.933 60.372 62.300 0.008 0.000 0.823 86 V CB 1.330 33.066 31.823 -0.146 0.000 1.030 86 V HN 0.711 nan 8.190 nan 0.000 0.457 87 P HA 0.355 nan 4.420 nan 0.000 0.271 87 P C -0.878 176.382 177.300 -0.068 0.000 1.216 87 P CA 0.207 63.252 63.100 -0.092 0.000 0.776 87 P CB 0.428 31.863 31.700 -0.442 0.000 0.881 88 H N -1.440 117.609 119.070 -0.035 0.000 3.014 88 H HA 0.779 5.335 4.556 -0.001 0.000 0.337 88 H C -1.556 173.865 175.328 0.156 0.000 1.320 88 H CA -1.071 54.855 56.048 -0.203 0.000 1.128 88 H CB 0.837 30.449 29.762 -0.250 0.000 1.862 88 H HN 0.202 nan 8.280 nan 0.000 0.536 89 S N 0.656 116.363 115.700 0.012 0.000 2.736 89 S HA 0.224 4.693 4.470 -0.001 0.000 0.285 89 S C -1.829 172.707 174.600 -0.106 0.000 1.163 89 S CA -0.668 57.594 58.200 0.104 0.000 1.025 89 S CB 0.263 63.702 63.200 0.399 0.000 1.030 89 S HN 0.839 nan 8.310 nan 0.000 0.486 90 H N 4.113 123.086 119.070 -0.162 0.000 2.864 90 H HA 0.478 5.034 4.556 -0.001 0.000 0.281 90 H C -0.601 174.318 175.328 -0.682 0.000 1.093 90 H CA 0.148 56.006 56.048 -0.317 0.000 1.453 90 H CB 0.155 29.793 29.762 -0.207 0.000 1.462 90 H HN 0.512 nan 8.280 nan 0.000 0.480 91 N N 4.728 122.797 118.700 -1.050 0.000 2.558 91 N HA 0.119 4.858 4.740 -0.001 0.000 0.242 91 N C -1.239 173.815 175.510 -0.759 0.000 0.979 91 N CA -0.612 51.665 53.050 -1.288 0.000 0.931 91 N CB 0.817 38.812 38.487 -0.821 0.000 1.122 91 N HN 0.563 nan 8.380 nan 0.000 0.508 92 D N 2.147 122.145 120.400 -0.669 0.000 2.383 92 D HA 0.101 4.741 4.640 -0.001 0.000 0.252 92 D C -2.117 174.245 176.300 0.103 0.000 1.166 92 D CA -0.976 52.885 54.000 -0.232 0.000 0.879 92 D CB 1.223 42.150 40.800 0.211 0.000 1.164 92 D HN 0.248 nan 8.370 nan 0.000 0.462 93 P HA 0.239 nan 4.420 nan 0.000 0.231 93 P C -0.154 177.407 177.300 0.435 0.000 1.811 93 P CA -0.104 63.045 63.100 0.083 0.000 1.051 93 P CB 0.388 31.982 31.700 -0.177 0.000 1.951 94 G N 0.918 110.153 108.800 0.725 0.000 3.055 94 G HA2 0.001 3.961 3.960 -0.001 0.000 0.686 94 G HA3 0.001 3.961 3.960 -0.001 0.000 0.686 94 G C -1.093 174.375 174.900 0.945 0.000 1.087 94 G CA -0.624 44.920 45.100 0.739 0.000 0.779 94 G HN 0.374 nan 8.290 nan 0.000 0.599 95 W N 2.407 124.067 121.300 0.601 0.000 4.489 95 W HA 0.281 4.941 4.660 -0.001 0.000 0.161 95 W C 0.888 177.586 176.519 0.298 0.000 3.472 95 W CA 0.899 58.549 57.345 0.508 0.000 1.144 95 W CB -0.863 28.982 29.460 0.642 0.000 2.110 95 W HN 0.538 nan 8.180 nan 0.000 0.358 96 I N 2.184 122.761 120.570 0.012 0.000 2.716 96 I HA 0.091 4.261 4.170 -0.001 0.000 0.259 96 I C 0.698 176.673 176.117 -0.238 0.000 1.172 96 I CA 1.290 62.404 61.300 -0.310 0.000 1.478 96 I CB -1.093 36.690 38.000 -0.362 0.000 1.104 96 I HN 0.000 nan 8.210 nan 0.000 0.439 97 Q N -0.069 119.442 119.800 -0.482 0.000 2.552 97 Q HA 0.400 4.739 4.340 -0.001 0.000 0.289 97 Q C 0.102 175.907 176.000 -0.326 0.000 1.097 97 Q CA -0.466 55.017 55.803 -0.534 0.000 0.812 97 Q CB 1.694 29.810 28.738 -1.036 0.000 1.460 97 Q HN 0.240 nan 8.270 nan 0.000 0.452 98 T N -2.471 112.002 114.554 -0.136 0.000 2.816 98 T HA 0.239 4.588 4.350 -0.001 0.000 0.282 98 T C 1.035 175.863 174.700 0.214 0.000 0.993 98 T CA -0.552 61.550 62.100 0.002 0.000 0.994 98 T CB 0.329 69.220 68.868 0.037 0.000 1.025 98 T HN 0.500 nan 8.240 nan 0.000 0.529 99 F N 1.241 121.299 119.950 0.179 0.000 2.063 99 F HA -0.160 4.367 4.527 -0.001 0.000 0.298 99 F C 2.423 178.434 175.800 0.352 0.000 1.109 99 F CA 2.390 60.560 58.000 0.283 0.000 1.212 99 F CB -0.392 38.660 39.000 0.088 0.000 0.973 99 F HN 0.757 nan 8.300 nan 0.000 0.480 100 E N 0.443 120.832 120.200 0.314 0.000 2.106 100 E HA -0.189 4.161 4.350 -0.001 0.000 0.192 100 E C 2.002 178.658 176.600 0.094 0.000 0.984 100 E CA 1.885 58.415 56.400 0.215 0.000 0.806 100 E CB -0.302 29.537 29.700 0.231 0.000 0.750 100 E HN 0.648 nan 8.360 nan 0.000 0.458 101 E N -1.072 119.140 120.200 0.020 0.000 2.072 101 E HA -0.183 4.166 4.350 -0.001 0.000 0.191 101 E C 1.910 178.405 176.600 -0.174 0.000 0.985 101 E CA 1.101 57.392 56.400 -0.181 0.000 0.801 101 E CB -0.291 29.363 29.700 -0.077 0.000 0.750 101 E HN 0.320 nan 8.360 nan 0.000 0.452 102 Y N -0.264 120.028 120.300 -0.013 0.000 2.181 102 Y HA -0.258 4.292 4.550 -0.001 0.000 0.288 102 Y C 2.257 178.115 175.900 -0.069 0.000 1.146 102 Y CA 1.222 59.289 58.100 -0.055 0.000 1.164 102 Y CB -0.749 37.765 38.460 0.090 0.000 0.982 102 Y HN 0.160 nan 8.280 nan 0.000 0.515 103 Y N 0.872 121.214 120.300 0.070 0.000 2.097 103 Y HA -0.306 4.243 4.550 -0.001 0.000 0.282 103 Y C 2.346 178.214 175.900 -0.054 0.000 1.152 103 Y CA 2.007 60.090 58.100 -0.028 0.000 1.136 103 Y CB -0.423 37.997 38.460 -0.067 0.000 0.975 103 Y HN 0.061 nan 8.280 nan 0.000 0.498 104 Q N -0.516 119.175 119.800 -0.181 0.000 2.079 104 Q HA -0.184 4.156 4.340 -0.001 0.000 0.200 104 Q C 2.116 178.033 176.000 -0.138 0.000 0.974 104 Q CA 2.264 57.909 55.803 -0.263 0.000 0.840 104 Q CB -0.651 27.949 28.738 -0.230 0.000 0.898 104 Q HN 0.782 nan 8.270 nan 0.000 0.430 105 H N -0.727 118.364 119.070 0.035 0.000 2.544 105 H HA 0.063 4.619 4.556 -0.001 0.000 0.269 105 H C 0.850 176.275 175.328 0.161 0.000 0.970 105 H CA 0.513 56.619 56.048 0.096 0.000 1.219 105 H CB 0.639 30.419 29.762 0.029 0.000 1.421 105 H HN 0.210 nan 8.280 nan 0.000 0.555 106 D N -1.086 119.422 120.400 0.180 0.000 3.118 106 D HA 0.002 4.642 4.640 -0.001 0.000 0.222 106 D C 1.742 178.116 176.300 0.122 0.000 1.470 106 D CA 0.514 54.621 54.000 0.179 0.000 1.347 106 D CB -0.099 40.727 40.800 0.043 0.000 1.221 106 D HN 0.039 nan 8.370 nan 0.000 0.326 107 T N 2.645 117.204 114.554 0.008 0.000 2.759 107 T HA -0.171 4.178 4.350 -0.001 0.000 0.269 107 T C 1.913 176.448 174.700 -0.275 0.000 1.042 107 T CA 1.663 63.719 62.100 -0.074 0.000 1.140 107 T CB -0.165 68.526 68.868 -0.295 0.000 0.864 107 T HN 0.259 nan 8.240 nan 0.000 0.455 108 K N 0.752 120.788 120.400 -0.606 0.000 2.147 108 K HA -0.151 4.168 4.320 -0.001 0.000 0.205 108 K C 1.927 178.242 176.600 -0.474 0.000 1.049 108 K CA 1.419 57.311 56.287 -0.657 0.000 0.936 108 K CB -0.385 31.527 32.500 -0.980 0.000 0.722 108 K HN 0.408 nan 8.250 nan 0.000 0.446 109 H N 0.895 119.884 119.070 -0.135 0.000 2.428 109 H HA 0.061 4.616 4.556 -0.001 0.000 0.296 109 H C 2.229 177.558 175.328 0.002 0.000 1.062 109 H CA 1.311 57.342 56.048 -0.029 0.000 1.350 109 H CB -0.083 29.694 29.762 0.025 0.000 1.403 109 H HN 0.211 nan 8.280 nan 0.000 0.533 110 I N 0.643 121.280 120.570 0.112 0.000 2.163 110 I HA -0.253 3.917 4.170 -0.001 0.000 0.240 110 I C 2.376 178.498 176.117 0.008 0.000 1.081 110 I CA 1.034 62.456 61.300 0.203 0.000 1.353 110 I CB -0.212 37.979 38.000 0.318 0.000 1.054 110 I HN 0.090 nan 8.210 nan 0.000 0.407 111 L N -0.453 120.554 121.223 -0.360 0.000 2.093 111 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 111 L C 2.711 179.225 176.870 -0.594 0.000 1.085 111 L CA 1.058 55.454 54.840 -0.740 0.000 0.755 111 L CB -0.513 40.577 42.059 -1.615 0.000 0.904 111 L HN 0.225 nan 8.230 nan 0.000 0.435 112 S N 0.274 115.737 115.700 -0.394 0.000 2.356 112 S HA -0.149 4.321 4.470 -0.001 0.000 0.223 112 S C 1.811 176.374 174.600 -0.060 0.000 1.032 112 S CA 1.525 59.721 58.200 -0.006 0.000 1.005 112 S CB -0.160 63.103 63.200 0.105 0.000 0.867 112 S HN 0.445 nan 8.310 nan 0.000 0.449 113 N N 1.613 120.277 118.700 -0.059 0.000 2.331 113 N HA 0.110 4.850 4.740 -0.001 0.000 0.180 113 N C 1.737 176.940 175.510 -0.513 0.000 1.019 113 N CA 1.070 54.045 53.050 -0.126 0.000 0.881 113 N CB -0.719 37.808 38.487 0.066 0.000 0.972 113 N HN 0.501 nan 8.380 nan 0.000 0.435 114 A N 1.073 123.633 122.820 -0.435 0.000 1.873 114 A HA -0.064 4.255 4.320 -0.001 0.000 0.215 114 A C 2.164 179.477 177.584 -0.451 0.000 1.186 114 A CA 0.875 52.515 52.037 -0.662 0.000 0.616 114 A CB -0.681 18.175 19.000 -0.239 0.000 0.823 114 A HN 0.224 nan 8.150 nan 0.000 0.442 115 L N 0.076 121.167 121.223 -0.220 0.000 2.017 115 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 115 L C 2.385 179.165 176.870 -0.151 0.000 1.073 115 L CA 2.512 57.295 54.840 -0.094 0.000 0.745 115 L CB -0.780 41.297 42.059 0.030 0.000 0.894 115 L HN 0.473 nan 8.230 nan 0.000 0.432 116 R N -1.638 118.726 120.500 -0.227 0.000 2.070 116 R HA -0.180 4.159 4.340 -0.001 0.000 0.233 116 R C 2.430 178.499 176.300 -0.386 0.000 1.137 116 R CA 1.657 57.592 56.100 -0.277 0.000 0.945 116 R CB -0.445 29.674 30.300 -0.301 0.000 0.845 116 R HN 0.561 nan 8.270 nan 0.000 0.430 117 H N 0.410 119.183 119.070 -0.495 0.000 2.353 117 H HA -0.096 4.460 4.556 -0.001 0.000 0.300 117 H C 2.243 177.350 175.328 -0.369 0.000 1.090 117 H CA 1.707 57.440 56.048 -0.526 0.000 1.327 117 H CB -0.026 29.110 29.762 -1.044 0.000 1.383 117 H HN 0.240 nan 8.280 nan 0.000 0.508 118 L N -0.131 120.901 121.223 -0.318 0.000 2.056 118 L HA -0.177 4.163 4.340 -0.001 0.000 0.207 118 L C 2.764 179.590 176.870 -0.074 0.000 1.078 118 L CA 1.100 55.845 54.840 -0.158 0.000 0.749 118 L CB -0.680 41.304 42.059 -0.124 0.000 0.901 118 L HN 0.382 nan 8.230 nan 0.000 0.433 119 H N 0.767 119.751 119.070 -0.143 0.000 2.353 119 H HA -0.207 4.348 4.556 -0.001 0.000 0.298 119 H C 1.321 176.595 175.328 -0.091 0.000 1.103 119 H CA 2.142 58.134 56.048 -0.094 0.000 1.293 119 H CB 0.159 29.864 29.762 -0.095 0.000 1.372 119 H HN 0.344 nan 8.280 nan 0.000 0.501 120 D N 0.154 120.534 120.400 -0.033 0.000 2.317 120 D HA -0.035 4.604 4.640 -0.001 0.000 0.211 120 D C 0.034 176.292 176.300 -0.070 0.000 0.966 120 D CA 0.547 54.509 54.000 -0.064 0.000 0.876 120 D CB -0.184 40.575 40.800 -0.067 0.000 0.927 120 D HN 0.400 nan 8.370 nan 0.000 0.519 121 N N 1.004 119.670 118.700 -0.056 0.000 2.804 121 N HA 0.136 4.876 4.740 -0.001 0.000 0.251 121 N C -2.008 173.501 175.510 -0.001 0.000 1.250 121 N CA -1.080 51.972 53.050 0.002 0.000 0.820 121 N CB 2.214 40.732 38.487 0.051 0.000 1.156 121 N HN -0.125 nan 8.380 nan 0.000 0.512 122 P HA -0.187 nan 4.420 nan 0.000 0.218 122 P C 0.378 177.704 177.300 0.042 0.000 1.146 122 P CA 1.380 64.477 63.100 -0.006 0.000 0.813 122 P CB 0.510 32.195 31.700 -0.025 0.000 0.778 123 E N -1.267 118.991 120.200 0.096 0.000 2.442 123 E HA 0.059 4.409 4.350 -0.001 0.000 0.195 123 E C 1.051 177.785 176.600 0.223 0.000 1.030 123 E CA -0.144 56.355 56.400 0.164 0.000 0.869 123 E CB -0.444 29.386 29.700 0.217 0.000 0.857 123 E HN 0.270 nan 8.360 nan 0.000 0.505 124 M N 1.617 121.286 119.600 0.114 0.000 2.248 124 M HA 0.075 4.554 4.480 -0.001 0.000 0.337 124 M C -0.288 175.989 176.300 -0.039 0.000 1.121 124 M CA 0.321 55.575 55.300 -0.076 0.000 1.155 124 M CB 0.444 32.983 32.600 -0.102 0.000 1.514 124 M HN -0.364 nan 8.290 nan 0.000 0.452 125 K N 3.082 123.420 120.400 -0.103 0.000 2.444 125 K HA 0.661 4.980 4.320 -0.001 0.000 0.252 125 K C -1.753 174.865 176.600 0.030 0.000 0.993 125 K CA -0.442 55.840 56.287 -0.007 0.000 0.847 125 K CB 2.024 34.547 32.500 0.038 0.000 1.340 125 K HN 0.684 nan 8.250 nan 0.000 0.446 126 F N 1.447 121.293 119.950 -0.173 0.000 2.654 126 F HA 0.432 4.959 4.527 -0.001 0.000 0.314 126 F C -1.453 174.224 175.800 -0.204 0.000 1.116 126 F CA -1.199 56.680 58.000 -0.202 0.000 1.017 126 F CB 0.957 39.913 39.000 -0.074 0.000 1.285 126 F HN 0.447 nan 8.300 nan 0.000 0.448 127 I N 1.912 122.117 120.570 -0.608 0.000 2.648 127 I HA 0.583 4.753 4.170 -0.001 0.000 0.304 127 I C -1.680 174.000 176.117 -0.728 0.000 1.009 127 I CA -0.621 60.302 61.300 -0.629 0.000 1.114 127 I CB 2.463 40.042 38.000 -0.702 0.000 1.293 127 I HN 0.716 nan 8.210 nan 0.000 0.449 128 W N 4.687 125.581 121.300 -0.677 0.000 2.781 128 W HA 0.620 5.279 4.660 -0.001 0.000 0.333 128 W C -0.625 175.803 176.519 -0.152 0.000 1.047 128 W CA -0.570 56.514 57.345 -0.435 0.000 1.236 128 W CB 2.593 31.852 29.460 -0.336 0.000 1.394 128 W HN 0.812 nan 8.180 nan 0.000 0.466 129 A N 3.606 126.023 122.820 -0.672 0.000 1.944 129 A HA 0.116 4.435 4.320 -0.001 0.000 0.207 129 A C 0.131 177.620 177.584 -0.158 0.000 1.265 129 A CA 0.532 52.412 52.037 -0.261 0.000 0.712 129 A CB -0.088 18.820 19.000 -0.153 0.000 0.915 129 A HN 0.521 nan 8.150 nan 0.000 0.470 130 E N 1.274 121.255 120.200 -0.366 0.000 1.932 130 E HA 0.250 4.599 4.350 -0.001 0.000 0.275 130 E C 0.537 177.253 176.600 0.195 0.000 1.159 130 E CA -0.243 56.129 56.400 -0.047 0.000 0.905 130 E CB 0.457 30.141 29.700 -0.028 0.000 1.059 130 E HN 0.308 nan 8.360 nan 0.000 0.400 131 I N 1.431 122.030 120.570 0.050 0.000 2.493 131 I HA -0.229 3.941 4.170 -0.001 0.000 0.254 131 I C 1.917 177.687 176.117 -0.579 0.000 1.160 131 I CA 0.981 62.238 61.300 -0.072 0.000 1.445 131 I CB -1.487 36.503 38.000 -0.018 0.000 1.086 131 I HN 0.398 nan 8.210 nan 0.000 0.433 132 S N 1.108 116.142 115.700 -1.110 0.000 2.365 132 S HA -0.277 4.192 4.470 -0.001 0.000 0.225 132 S C 2.145 176.458 174.600 -0.478 0.000 1.039 132 S CA 1.351 58.524 58.200 -1.712 0.000 1.033 132 S CB -1.130 61.165 63.200 -1.508 0.000 0.887 132 S HN 0.357 nan 8.310 nan 0.000 0.447 133 Y N 0.697 121.010 120.300 0.022 0.000 2.200 133 Y HA 0.086 4.636 4.550 -0.001 0.000 0.290 133 Y C 2.229 178.209 175.900 0.134 0.000 1.137 133 Y CA 0.537 58.768 58.100 0.218 0.000 1.163 133 Y CB -0.887 37.803 38.460 0.383 0.000 0.988 133 Y HN 0.336 nan 8.280 nan 0.000 0.518 134 F N -0.163 119.871 119.950 0.139 0.000 2.186 134 F HA -0.119 4.408 4.527 -0.001 0.000 0.299 134 F C 2.286 177.911 175.800 -0.292 0.000 1.090 134 F CA 1.056 59.011 58.000 -0.075 0.000 1.307 134 F CB -0.393 38.532 39.000 -0.125 0.000 1.019 134 F HN -0.018 nan 8.300 nan 0.000 0.489 135 A N 0.277 122.766 122.820 -0.552 0.000 1.873 135 A HA -0.186 4.134 4.320 -0.001 0.000 0.215 135 A C 2.157 179.629 177.584 -0.186 0.000 1.186 135 A CA 1.649 53.205 52.037 -0.802 0.000 0.616 135 A CB -0.741 17.697 19.000 -0.937 0.000 0.823 135 A HN 0.360 nan 8.150 nan 0.000 0.442 136 R N -0.851 119.579 120.500 -0.116 0.000 2.103 136 R HA -0.172 4.167 4.340 -0.001 0.000 0.242 136 R C 1.740 177.959 176.300 -0.135 0.000 1.142 136 R CA 2.167 58.200 56.100 -0.112 0.000 0.960 136 R CB -0.959 29.208 30.300 -0.222 0.000 0.858 136 R HN 0.486 nan 8.270 nan 0.000 0.439 137 F N -0.265 119.573 119.950 -0.186 0.000 2.084 137 F HA -0.129 4.397 4.527 -0.001 0.000 0.296 137 F C 1.972 177.674 175.800 -0.163 0.000 1.111 137 F CA 1.671 59.635 58.000 -0.060 0.000 1.224 137 F CB -1.003 37.903 39.000 -0.157 0.000 0.991 137 F HN 0.124 nan 8.300 nan 0.000 0.471 138 Y N 0.593 120.615 120.300 -0.462 0.000 2.193 138 Y HA -0.295 4.255 4.550 -0.001 0.000 0.285 138 Y C 2.588 178.212 175.900 -0.461 0.000 1.166 138 Y CA 2.364 60.150 58.100 -0.524 0.000 1.181 138 Y CB -0.758 37.517 38.460 -0.308 0.000 0.976 138 Y HN 0.181 nan 8.280 nan 0.000 0.520 139 H N -0.945 118.077 119.070 -0.081 0.000 2.556 139 H HA -0.018 4.537 4.556 -0.001 0.000 0.268 139 H C 0.714 175.923 175.328 -0.199 0.000 0.996 139 H CA 1.097 57.071 56.048 -0.123 0.000 1.157 139 H CB 0.031 29.794 29.762 0.002 0.000 1.355 139 H HN 0.445 nan 8.280 nan 0.000 0.597 140 D N 0.130 120.405 120.400 -0.210 0.000 2.363 140 D HA 0.112 4.752 4.640 -0.001 0.000 0.214 140 D C 0.531 176.633 176.300 -0.330 0.000 1.093 140 D CA 0.036 53.920 54.000 -0.194 0.000 0.837 140 D CB 0.677 41.409 40.800 -0.113 0.000 0.948 140 D HN 0.215 nan 8.370 nan 0.000 0.507 141 L N 0.517 121.444 121.223 -0.495 0.000 2.350 141 L HA 0.410 4.750 4.340 -0.001 0.000 0.275 141 L C 1.302 177.971 176.870 -0.335 0.000 1.099 141 L CA -0.700 53.837 54.840 -0.505 0.000 0.808 141 L CB 1.390 43.040 42.059 -0.682 0.000 1.149 141 L HN -0.061 nan 8.230 nan 0.000 0.442 142 G N 0.611 109.268 108.800 -0.239 0.000 2.606 142 G HA2 0.054 4.014 3.960 -0.001 0.000 0.252 142 G HA3 0.054 4.014 3.960 -0.001 0.000 0.252 142 G C 0.684 175.490 174.900 -0.156 0.000 1.206 142 G CA -0.238 44.767 45.100 -0.159 0.000 0.861 142 G HN 0.789 nan 8.290 nan 0.000 0.561 143 E N 0.271 120.410 120.200 -0.102 0.000 2.070 143 E HA -0.225 4.124 4.350 -0.001 0.000 0.197 143 E C 2.025 178.592 176.600 -0.055 0.000 1.004 143 E CA 2.021 58.379 56.400 -0.070 0.000 0.805 143 E CB -0.320 29.360 29.700 -0.034 0.000 0.744 143 E HN 0.629 nan 8.360 nan 0.000 0.451 144 N N -0.639 118.028 118.700 -0.054 0.000 2.188 144 N HA -0.157 4.582 4.740 -0.001 0.000 0.184 144 N C 1.440 176.921 175.510 -0.048 0.000 1.018 144 N CA 1.036 54.062 53.050 -0.041 0.000 0.858 144 N CB 0.051 38.510 38.487 -0.045 0.000 0.989 144 N HN 0.028 nan 8.380 nan 0.000 0.426 145 K N 1.417 121.770 120.400 -0.080 0.000 2.097 145 K HA -0.068 4.252 4.320 -0.001 0.000 0.205 145 K C 1.892 178.471 176.600 -0.035 0.000 1.050 145 K CA 0.849 57.091 56.287 -0.075 0.000 0.938 145 K CB -0.187 32.241 32.500 -0.120 0.000 0.718 145 K HN 0.314 nan 8.250 nan 0.000 0.442 146 K N 0.801 121.149 120.400 -0.086 0.000 2.097 146 K HA -0.056 4.263 4.320 -0.001 0.000 0.206 146 K C 2.289 178.979 176.600 0.149 0.000 1.049 146 K CA 0.959 57.244 56.287 -0.004 0.000 0.933 146 K CB -0.215 32.196 32.500 -0.148 0.000 0.717 146 K HN 0.051 nan 8.250 nan 0.000 0.442 147 L N 1.094 122.369 121.223 0.085 0.000 2.046 147 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 147 L C 2.626 179.564 176.870 0.114 0.000 1.077 147 L CA 1.360 56.261 54.840 0.101 0.000 0.747 147 L CB -0.451 41.645 42.059 0.061 0.000 0.896 147 L HN 0.252 nan 8.230 nan 0.000 0.432 148 Q N -0.807 119.046 119.800 0.088 0.000 2.050 148 Q HA -0.275 4.064 4.340 -0.001 0.000 0.202 148 Q C 2.235 178.328 176.000 0.154 0.000 0.980 148 Q CA 1.887 57.752 55.803 0.105 0.000 0.840 148 Q CB -0.186 28.564 28.738 0.021 0.000 0.898 148 Q HN 0.335 nan 8.270 nan 0.000 0.424 149 M N 1.024 120.739 119.600 0.191 0.000 2.117 149 M HA -0.172 4.307 4.480 -0.001 0.000 0.262 149 M C 1.514 177.986 176.300 0.288 0.000 1.065 149 M CA 1.778 57.250 55.300 0.286 0.000 1.114 149 M CB 0.054 32.914 32.600 0.432 0.000 1.361 149 M HN -0.087 nan 8.290 nan 0.000 0.408 150 K N -0.540 120.023 120.400 0.271 0.000 2.211 150 K HA -0.083 4.237 4.320 -0.001 0.000 0.203 150 K C 1.994 178.687 176.600 0.155 0.000 1.050 150 K CA 1.559 57.979 56.287 0.222 0.000 0.945 150 K CB -0.308 32.309 32.500 0.194 0.000 0.732 150 K HN 0.595 nan 8.250 nan 0.000 0.451 151 S N 1.207 116.989 115.700 0.137 0.000 2.470 151 S HA -0.051 4.418 4.470 -0.001 0.000 0.225 151 S C 2.029 176.681 174.600 0.087 0.000 1.006 151 S CA 0.460 58.720 58.200 0.100 0.000 0.934 151 S CB -0.574 62.679 63.200 0.088 0.000 0.778 151 S HN 0.421 nan 8.310 nan 0.000 0.517 152 I N -0.654 119.979 120.570 0.104 0.000 2.761 152 I HA 0.093 4.263 4.170 -0.001 0.000 0.261 152 I C 1.967 178.115 176.117 0.051 0.000 1.198 152 I CA 0.418 61.759 61.300 0.068 0.000 1.482 152 I CB -0.475 37.565 38.000 0.066 0.000 1.100 152 I HN 0.104 nan 8.210 nan 0.000 0.445 153 V N 1.603 121.569 119.914 0.087 0.000 2.407 153 V HA -0.191 3.929 4.120 -0.001 0.000 0.245 153 V C 2.712 178.841 176.094 0.058 0.000 1.041 153 V CA 1.939 64.280 62.300 0.069 0.000 1.040 153 V CB -0.684 31.249 31.823 0.184 0.000 0.671 153 V HN 0.417 nan 8.190 nan 0.000 0.455 154 K N 1.416 121.858 120.400 0.069 0.000 2.097 154 K HA -0.208 4.112 4.320 -0.001 0.000 0.206 154 K C 1.774 178.389 176.600 0.026 0.000 1.049 154 K CA 1.758 58.074 56.287 0.047 0.000 0.933 154 K CB -0.203 32.327 32.500 0.049 0.000 0.717 154 K HN 0.667 nan 8.250 nan 0.000 0.442 155 N N -0.532 118.183 118.700 0.024 0.000 2.461 155 N HA -0.011 4.729 4.740 -0.001 0.000 0.188 155 N C 0.893 176.404 175.510 0.000 0.000 1.134 155 N CA 1.121 54.177 53.050 0.010 0.000 0.878 155 N CB 0.343 38.836 38.487 0.009 0.000 0.972 155 N HN 0.339 nan 8.380 nan 0.000 0.456 156 G N -0.276 108.521 108.800 -0.006 0.000 2.176 156 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.253 156 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.253 156 G C 0.844 175.725 174.900 -0.033 0.000 0.979 156 G CA 0.491 45.576 45.100 -0.025 0.000 0.641 156 G HN 0.457 nan 8.290 nan 0.000 0.530 157 Q N -0.868 118.920 119.800 -0.020 0.000 2.049 157 Q HA 0.215 4.554 4.340 -0.001 0.000 0.198 157 Q C 1.463 177.445 176.000 -0.029 0.000 0.971 157 Q CA 0.901 56.696 55.803 -0.014 0.000 0.833 157 Q CB 0.266 29.003 28.738 -0.003 0.000 0.896 157 Q HN 0.573 nan 8.270 nan 0.000 0.434 158 L N 1.778 122.966 121.223 -0.058 0.000 2.262 158 L HA 0.313 4.653 4.340 -0.001 0.000 0.288 158 L C -0.949 175.732 176.870 -0.315 0.000 1.035 158 L CA -0.218 54.541 54.840 -0.136 0.000 0.820 158 L CB 1.108 43.097 42.059 -0.117 0.000 1.204 158 L HN 0.058 nan 8.230 nan 0.000 0.424 159 E N 4.458 124.441 120.200 -0.362 0.000 2.187 159 E HA 0.346 4.695 4.350 -0.001 0.000 0.268 159 E C -1.503 174.817 176.600 -0.466 0.000 0.896 159 E CA -0.786 55.403 56.400 -0.352 0.000 0.766 159 E CB 1.402 30.974 29.700 -0.214 0.000 1.142 159 E HN 0.440 nan 8.360 nan 0.000 0.408 160 F N 3.323 123.221 119.950 -0.088 0.000 2.427 160 F HA 0.201 4.728 4.527 -0.001 0.000 0.352 160 F C 0.245 176.003 175.800 -0.069 0.000 1.100 160 F CA -0.527 57.432 58.000 -0.069 0.000 1.191 160 F CB 1.217 40.188 39.000 -0.048 0.000 1.128 160 F HN 0.183 nan 8.300 nan 0.000 0.533 161 V N 0.288 120.245 119.914 0.072 0.000 2.513 161 V HA 0.665 4.785 4.120 -0.001 0.000 0.299 161 V C 0.299 176.510 176.094 0.196 0.000 1.035 161 V CA -0.507 61.835 62.300 0.069 0.000 0.889 161 V CB 0.917 32.665 31.823 -0.126 0.000 0.988 161 V HN 0.980 nan 8.190 nan 0.000 0.440 162 T N 3.116 117.869 114.554 0.332 0.000 13.097 162 T HA -0.292 4.058 4.350 -0.001 0.000 0.418 162 T C 1.687 176.611 174.700 0.373 0.000 1.446 162 T CA 2.779 65.122 62.100 0.405 0.000 2.371 162 T CB -1.695 67.307 68.868 0.223 0.000 2.810 162 T HN 2.769 nan 8.240 nan 0.000 0.655 163 G N 1.765 110.716 108.800 0.253 0.000 2.136 163 G HA2 0.107 4.066 3.960 -0.001 0.000 0.242 163 G HA3 0.107 4.066 3.960 -0.001 0.000 0.242 163 G C 0.290 175.317 174.900 0.212 0.000 0.989 163 G CA 0.581 45.805 45.100 0.207 0.000 0.682 163 G HN 1.569 nan 8.290 nan 0.000 0.522 164 G N -1.540 107.382 108.800 0.204 0.000 2.539 164 G HA2 0.371 4.330 3.960 -0.001 0.000 0.258 164 G HA3 0.371 4.330 3.960 -0.001 0.000 0.258 164 G C 0.964 176.019 174.900 0.258 0.000 1.202 164 G CA 0.191 45.423 45.100 0.221 0.000 0.851 164 G HN 0.352 nan 8.290 nan 0.000 0.556 165 W N 0.871 122.205 121.300 0.058 0.000 2.325 165 W HA -0.074 4.585 4.660 -0.001 0.000 0.299 165 W C 0.684 177.220 176.519 0.029 0.000 1.215 165 W CA 2.007 59.371 57.345 0.032 0.000 1.244 165 W CB 0.242 29.706 29.460 0.008 0.000 1.140 165 W HN 0.422 nan 8.180 nan 0.000 0.523 166 V N -2.817 117.197 119.914 0.167 0.000 3.076 166 V HA 0.521 4.641 4.120 -0.001 0.000 0.311 166 V C -0.512 175.651 176.094 0.115 0.000 1.346 166 V CA -1.246 61.094 62.300 0.067 0.000 1.056 166 V CB 1.746 33.629 31.823 0.100 0.000 1.093 166 V HN -0.080 nan 8.190 nan 0.000 0.468 167 M N 3.785 123.480 119.600 0.158 0.000 2.060 167 M HA 0.524 5.003 4.480 -0.001 0.000 0.342 167 M C -2.735 173.721 176.300 0.261 0.000 1.031 167 M CA -1.994 53.420 55.300 0.191 0.000 0.981 167 M CB 1.585 34.328 32.600 0.237 0.000 1.376 167 M HN 0.666 nan 8.290 nan 0.000 0.397 168 P HA 0.051 nan 4.420 nan 0.000 0.270 168 P C -0.888 176.437 177.300 0.042 0.000 1.223 168 P CA -0.029 63.130 63.100 0.099 0.000 0.785 168 P CB 0.485 32.225 31.700 0.068 0.000 0.923 169 D N 0.707 121.094 120.400 -0.022 0.000 2.423 169 D HA -0.050 4.590 4.640 -0.001 0.000 0.238 169 D C 0.676 176.989 176.300 0.022 0.000 1.142 169 D CA 0.468 54.425 54.000 -0.071 0.000 0.884 169 D CB 0.417 41.187 40.800 -0.050 0.000 1.199 169 D HN 0.314 nan 8.370 nan 0.000 0.438 170 E N 1.339 121.594 120.200 0.092 0.000 2.511 170 E HA 0.189 4.538 4.350 -0.001 0.000 0.209 170 E C 0.883 177.678 176.600 0.324 0.000 0.986 170 E CA 0.033 56.560 56.400 0.211 0.000 0.974 170 E CB 0.669 30.503 29.700 0.224 0.000 1.030 170 E HN 0.492 nan 8.360 nan 0.000 0.490 171 A N 1.488 124.444 122.820 0.227 0.000 1.887 171 A HA 0.013 4.332 4.320 -0.001 0.000 0.210 171 A C 1.813 179.287 177.584 -0.183 0.000 1.221 171 A CA 0.565 52.496 52.037 -0.176 0.000 0.635 171 A CB 0.014 18.844 19.000 -0.284 0.000 0.881 171 A HN 0.038 nan 8.150 nan 0.000 0.456 172 N N 0.783 119.466 118.700 -0.029 0.000 2.392 172 N HA 0.004 4.744 4.740 -0.001 0.000 0.177 172 N C 0.524 176.030 175.510 -0.006 0.000 1.066 172 N CA 0.765 53.796 53.050 -0.031 0.000 0.895 172 N CB 0.017 38.531 38.487 0.046 0.000 0.988 172 N HN 0.516 nan 8.380 nan 0.000 0.457 173 S N 0.587 116.293 115.700 0.010 0.000 2.576 173 S HA 0.044 4.513 4.470 -0.001 0.000 0.276 173 S C 0.015 174.635 174.600 0.034 0.000 1.339 173 S CA -0.549 57.668 58.200 0.028 0.000 1.039 173 S CB 1.219 64.437 63.200 0.031 0.000 0.902 173 S HN 0.202 nan 8.310 nan 0.000 0.516 174 H N 2.896 121.946 119.070 -0.033 0.000 2.525 174 H HA 0.075 4.630 4.556 -0.001 0.000 0.339 174 H C 1.157 176.452 175.328 -0.055 0.000 1.109 174 H CA -0.323 55.689 56.048 -0.059 0.000 1.352 174 H CB 0.617 30.291 29.762 -0.146 0.000 1.461 174 H HN 1.026 nan 8.280 nan 0.000 0.533 175 W N 5.484 126.730 121.300 -0.090 0.000 2.364 175 W HA -0.140 4.520 4.660 -0.001 0.000 0.281 175 W C 1.027 177.608 176.519 0.103 0.000 1.219 175 W CA 0.254 57.592 57.345 -0.012 0.000 1.220 175 W CB -0.445 28.951 29.460 -0.106 0.000 1.127 175 W HN 0.523 nan 8.180 nan 0.000 0.556 176 R N 0.810 120.885 120.500 -0.708 0.000 2.096 176 R HA -0.122 4.217 4.340 -0.001 0.000 0.235 176 R C 2.022 178.133 176.300 -0.316 0.000 1.127 176 R CA 1.843 57.431 56.100 -0.853 0.000 0.968 176 R CB -0.428 29.342 30.300 -0.882 0.000 0.861 176 R HN 0.116 nan 8.270 nan 0.000 0.440 177 N N -0.103 118.500 118.700 -0.162 0.000 2.354 177 N HA -0.061 4.678 4.740 -0.001 0.000 0.179 177 N C 1.721 177.224 175.510 -0.012 0.000 1.021 177 N CA 0.710 53.715 53.050 -0.075 0.000 0.887 177 N CB 0.001 38.468 38.487 -0.034 0.000 0.974 177 N HN 0.003 nan 8.380 nan 0.000 0.437 178 V N 1.435 121.366 119.914 0.029 0.000 2.343 178 V HA -0.179 3.940 4.120 -0.001 0.000 0.247 178 V C 2.338 178.469 176.094 0.061 0.000 1.051 178 V CA 1.107 63.446 62.300 0.064 0.000 1.036 178 V CB -0.496 31.389 31.823 0.103 0.000 0.654 178 V HN 0.196 nan 8.190 nan 0.000 0.451 179 L N -0.290 120.974 121.223 0.068 0.000 2.056 179 L HA -0.106 4.233 4.340 -0.001 0.000 0.207 179 L C 2.195 179.064 176.870 -0.000 0.000 1.078 179 L CA 1.804 56.678 54.840 0.057 0.000 0.749 179 L CB -0.689 41.430 42.059 0.100 0.000 0.901 179 L HN 0.270 nan 8.230 nan 0.000 0.433 180 L N 0.007 121.207 121.223 -0.039 0.000 2.013 180 L HA -0.268 4.072 4.340 -0.001 0.000 0.212 180 L C 2.582 179.436 176.870 -0.026 0.000 1.073 180 L CA 2.456 57.265 54.840 -0.052 0.000 0.753 180 L CB -0.790 41.220 42.059 -0.082 0.000 0.890 180 L HN 0.704 nan 8.230 nan 0.000 0.432 181 Q N -1.210 118.597 119.800 0.012 0.000 2.172 181 Q HA -0.160 4.179 4.340 -0.001 0.000 0.200 181 Q C 2.009 178.091 176.000 0.136 0.000 0.964 181 Q CA 1.839 57.685 55.803 0.071 0.000 0.855 181 Q CB -1.109 27.707 28.738 0.129 0.000 0.918 181 Q HN 0.465 nan 8.270 nan 0.000 0.444 182 L N 0.940 122.226 121.223 0.105 0.000 2.017 182 L HA -0.102 4.238 4.340 -0.001 0.000 0.208 182 L C 1.929 178.877 176.870 0.130 0.000 1.073 182 L CA 2.489 57.405 54.840 0.126 0.000 0.745 182 L CB -1.068 41.041 42.059 0.083 0.000 0.894 182 L HN 0.320 nan 8.230 nan 0.000 0.432 183 T N -0.872 113.726 114.554 0.073 0.000 2.746 183 T HA -0.199 4.150 4.350 -0.001 0.000 0.267 183 T C 1.737 176.489 174.700 0.087 0.000 1.039 183 T CA 1.494 63.631 62.100 0.061 0.000 1.142 183 T CB -0.216 68.654 68.868 0.004 0.000 0.866 183 T HN 0.352 nan 8.240 nan 0.000 0.444 184 E N 0.949 121.175 120.200 0.043 0.000 2.077 184 E HA -0.046 4.304 4.350 -0.001 0.000 0.193 184 E C 2.310 179.044 176.600 0.222 0.000 0.989 184 E CA 1.530 57.914 56.400 -0.027 0.000 0.800 184 E CB -0.840 28.651 29.700 -0.348 0.000 0.746 184 E HN 0.462 nan 8.360 nan 0.000 0.452 185 G N -0.165 108.858 108.800 0.372 0.000 2.394 185 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.215 185 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.215 185 G C 1.469 176.588 174.900 0.364 0.000 1.165 185 G CA 0.546 45.945 45.100 0.499 0.000 0.784 185 G HN 0.250 nan 8.290 nan 0.000 0.535 186 Q N -0.101 119.851 119.800 0.253 0.000 2.224 186 Q HA -0.056 4.284 4.340 -0.001 0.000 0.203 186 Q C 2.701 178.805 176.000 0.173 0.000 0.970 186 Q CA 1.394 57.308 55.803 0.186 0.000 0.865 186 Q CB -0.171 28.659 28.738 0.153 0.000 0.922 186 Q HN 0.399 nan 8.270 nan 0.000 0.445 187 T N -0.029 114.642 114.554 0.196 0.000 2.857 187 T HA -0.151 4.199 4.350 -0.001 0.000 0.266 187 T C 1.079 175.894 174.700 0.192 0.000 1.048 187 T CA 0.780 62.970 62.100 0.151 0.000 1.139 187 T CB -0.304 68.646 68.868 0.137 0.000 0.874 187 T HN 0.462 nan 8.240 nan 0.000 0.455 188 W N 1.699 123.106 121.300 0.178 0.000 2.335 188 W HA -0.060 4.599 4.660 -0.001 0.000 0.311 188 W C 1.747 178.389 176.519 0.206 0.000 1.213 188 W CA 0.992 58.520 57.345 0.304 0.000 1.274 188 W CB -0.416 29.284 29.460 0.401 0.000 1.148 188 W HN 0.142 nan 8.180 nan 0.000 0.498 189 L N 0.546 122.008 121.223 0.398 0.000 2.046 189 L HA -0.240 4.100 4.340 -0.001 0.000 0.208 189 L C 2.575 179.400 176.870 -0.074 0.000 1.077 189 L CA 1.836 56.736 54.840 0.101 0.000 0.747 189 L CB -0.945 41.097 42.059 -0.028 0.000 0.896 189 L HN -0.013 nan 8.230 nan 0.000 0.432 190 K N -0.039 120.332 120.400 -0.048 0.000 2.057 190 K HA -0.248 4.072 4.320 -0.001 0.000 0.206 190 K C 2.209 178.688 176.600 -0.202 0.000 1.050 190 K CA 1.452 57.682 56.287 -0.094 0.000 0.935 190 K CB -0.010 32.455 32.500 -0.058 0.000 0.715 190 K HN 0.238 nan 8.250 nan 0.000 0.439 191 Q N -0.751 118.866 119.800 -0.305 0.000 2.050 191 Q HA -0.154 4.185 4.340 -0.001 0.000 0.202 191 Q C 1.512 177.035 176.000 -0.794 0.000 0.980 191 Q CA 1.836 57.299 55.803 -0.566 0.000 0.840 191 Q CB 0.022 28.322 28.738 -0.729 0.000 0.898 191 Q HN 0.309 nan 8.270 nan 0.000 0.424 192 F N -1.496 118.073 119.950 -0.635 0.000 2.582 192 F HA 0.132 4.658 4.527 -0.001 0.000 0.290 192 F C 1.758 177.263 175.800 -0.492 0.000 1.115 192 F CA 0.325 57.889 58.000 -0.726 0.000 1.445 192 F CB 0.416 38.505 39.000 -1.519 0.000 1.126 192 F HN 0.097 nan 8.300 nan 0.000 0.574 193 M N -0.821 118.651 119.600 -0.214 0.000 2.292 193 M HA 0.196 4.676 4.480 -0.001 0.000 0.286 193 M C 0.231 176.523 176.300 -0.014 0.000 1.002 193 M CA 0.246 55.525 55.300 -0.034 0.000 1.029 193 M CB -0.723 31.898 32.600 0.035 0.000 1.537 193 M HN 0.101 nan 8.290 nan 0.000 0.543 194 N N 1.921 120.574 118.700 -0.077 0.000 2.727 194 N HA -0.141 4.599 4.740 -0.001 0.000 0.249 194 N C -1.044 174.455 175.510 -0.019 0.000 1.048 194 N CA 0.711 53.727 53.050 -0.056 0.000 0.714 194 N CB -0.909 37.553 38.487 -0.042 0.000 0.959 194 N HN 0.335 nan 8.380 nan 0.000 0.544 195 V N -3.804 116.103 119.914 -0.012 0.000 3.049 195 V HA 0.852 4.972 4.120 -0.001 0.000 0.309 195 V C -0.007 176.082 176.094 -0.008 0.000 1.148 195 V CA -0.534 61.772 62.300 0.010 0.000 0.990 195 V CB 2.300 34.173 31.823 0.084 0.000 1.039 195 V HN 0.055 nan 8.190 nan 0.000 0.430 196 T N 3.849 118.385 114.554 -0.030 0.000 2.906 196 T HA 0.599 4.949 4.350 -0.001 0.000 0.302 196 T C -2.741 171.882 174.700 -0.127 0.000 1.002 196 T CA -0.802 61.262 62.100 -0.061 0.000 0.988 196 T CB 1.448 70.269 68.868 -0.077 0.000 0.972 196 T HN 0.760 nan 8.240 nan 0.000 0.447 197 P HA 0.203 nan 4.420 nan 0.000 0.268 197 P C 0.788 177.695 177.300 -0.654 0.000 1.205 197 P CA -0.216 62.768 63.100 -0.193 0.000 0.771 197 P CB 0.557 32.264 31.700 0.012 0.000 0.858 198 T N -1.929 112.275 114.554 -0.583 0.000 3.043 198 T HA 0.530 4.880 4.350 -0.001 0.000 0.272 198 T C 0.315 174.790 174.700 -0.376 0.000 0.990 198 T CA -0.279 61.340 62.100 -0.802 0.000 0.897 198 T CB 0.127 68.766 68.868 -0.382 0.000 1.111 198 T HN 0.402 nan 8.240 nan 0.000 0.529 199 A N 0.954 123.728 122.820 -0.078 0.000 2.331 199 A HA 0.801 5.120 4.320 -0.001 0.000 0.320 199 A C -0.151 177.703 177.584 0.450 0.000 1.138 199 A CA -0.677 51.490 52.037 0.216 0.000 0.790 199 A CB 1.714 20.859 19.000 0.242 0.000 1.206 199 A HN 0.268 nan 8.150 nan 0.000 0.470 200 S N 2.445 118.413 115.700 0.448 0.000 2.509 200 S HA 0.672 5.141 4.470 -0.001 0.000 0.297 200 S C -1.112 173.689 174.600 0.334 0.000 1.118 200 S CA -0.440 57.959 58.200 0.330 0.000 1.074 200 S CB 0.724 63.936 63.200 0.020 0.000 1.038 200 S HN 0.808 nan 8.310 nan 0.000 0.498 201 W N 4.757 126.076 121.300 0.032 0.000 2.554 201 W HA 0.646 5.305 4.660 -0.001 0.000 0.324 201 W C -1.564 174.905 176.519 -0.084 0.000 1.018 201 W CA -0.871 56.445 57.345 -0.049 0.000 1.243 201 W CB 1.245 30.646 29.460 -0.099 0.000 1.345 201 W HN 0.783 nan 8.180 nan 0.000 0.441 202 A N 8.049 130.736 122.820 -0.222 0.000 2.763 202 A HA 0.309 4.629 4.320 -0.001 0.000 0.325 202 A C 0.159 177.492 177.584 -0.419 0.000 1.209 202 A CA -0.496 51.411 52.037 -0.217 0.000 0.764 202 A CB -0.237 18.752 19.000 -0.019 0.000 1.120 202 A HN 0.731 nan 8.150 nan 0.000 0.463 203 I N -2.468 117.681 120.570 -0.702 0.000 3.783 203 I HA 0.310 4.480 4.170 -0.001 0.000 0.310 203 I C 0.731 176.522 176.117 -0.543 0.000 1.274 203 I CA 0.678 61.518 61.300 -0.767 0.000 1.294 203 I CB 0.493 37.749 38.000 -1.239 0.000 1.051 203 I HN 0.335 nan 8.210 nan 0.000 0.435 204 D N 0.575 120.622 120.400 -0.589 0.000 2.479 204 D HA 0.256 4.896 4.640 -0.001 0.000 0.216 204 D C -2.141 173.720 176.300 -0.732 0.000 1.110 204 D CA -0.911 52.758 54.000 -0.552 0.000 0.841 204 D CB 0.043 40.498 40.800 -0.575 0.000 1.040 204 D HN 0.171 nan 8.370 nan 0.000 0.505 205 P HA 0.012 nan 4.420 nan 0.000 0.267 205 P C -0.501 176.296 177.300 -0.838 0.000 1.200 205 P CA 0.143 62.669 63.100 -0.957 0.000 0.772 205 P CB 0.176 31.486 31.700 -0.649 0.000 0.855 206 F N 2.438 122.122 119.950 -0.445 0.000 2.605 206 F HA 0.528 5.055 4.527 -0.001 0.000 0.352 206 F C 1.435 177.153 175.800 -0.135 0.000 1.236 206 F CA -0.614 57.080 58.000 -0.511 0.000 1.267 206 F CB -1.173 37.679 39.000 -0.247 0.000 1.632 206 F HN 0.481 nan 8.300 nan 0.000 0.639 207 G N 1.264 109.791 108.800 -0.456 0.000 2.619 207 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.686 207 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.686 207 G C -1.469 173.053 174.900 -0.631 0.000 1.256 207 G CA -1.171 43.772 45.100 -0.262 0.000 0.826 207 G HN 0.608 nan 8.290 nan 0.000 0.619 208 H N -0.694 118.086 119.070 -0.484 0.000 2.821 208 H HA 0.768 5.324 4.556 -0.001 0.000 0.373 208 H C -0.376 174.811 175.328 -0.236 0.000 1.165 208 H CA 0.015 55.939 56.048 -0.207 0.000 1.154 208 H CB 2.082 31.893 29.762 0.081 0.000 1.765 208 H HN 0.668 nan 8.280 nan 0.000 0.549 209 S N 1.809 117.627 115.700 0.197 0.000 2.503 209 S HA 0.259 4.729 4.470 -0.001 0.000 0.301 209 S C -1.822 172.768 174.600 -0.017 0.000 1.087 209 S CA -1.801 56.512 58.200 0.188 0.000 1.042 209 S CB 1.320 64.675 63.200 0.259 0.000 1.043 209 S HN 0.447 nan 8.310 nan 0.000 0.489 210 P HA 0.025 nan 4.420 nan 0.000 0.233 210 P C 1.112 178.136 177.300 -0.460 0.000 1.167 210 P CA 0.695 63.364 63.100 -0.718 0.000 0.770 210 P CB -0.213 31.243 31.700 -0.406 0.000 0.837 211 T N -0.034 114.391 114.554 -0.214 0.000 2.803 211 T HA -0.105 4.245 4.350 -0.001 0.000 0.269 211 T C 1.840 176.493 174.700 -0.078 0.000 1.052 211 T CA 1.232 63.258 62.100 -0.123 0.000 1.136 211 T CB -0.397 68.444 68.868 -0.046 0.000 0.864 211 T HN -0.012 nan 8.240 nan 0.000 0.467 212 M N 0.925 120.433 119.600 -0.152 0.000 2.059 212 M HA -0.007 4.473 4.480 -0.001 0.000 0.259 212 M C -0.610 175.554 176.300 -0.226 0.000 1.072 212 M CA 1.335 56.544 55.300 -0.151 0.000 1.117 212 M CB -2.558 29.978 32.600 -0.107 0.000 1.320 212 M HN 0.131 nan 8.290 nan 0.000 0.408 213 P HA -0.211 nan 4.420 nan 0.000 0.216 213 P C 1.703 178.882 177.300 -0.202 0.000 1.150 213 P CA 1.529 64.443 63.100 -0.310 0.000 0.837 213 P CB -0.457 30.954 31.700 -0.482 0.000 0.786 214 Y N 0.949 121.064 120.300 -0.308 0.000 2.097 214 Y HA -0.209 4.341 4.550 -0.001 0.000 0.282 214 Y C 2.431 178.249 175.900 -0.137 0.000 1.152 214 Y CA 1.712 59.693 58.100 -0.199 0.000 1.136 214 Y CB -0.973 37.381 38.460 -0.177 0.000 0.975 214 Y HN -0.227 nan 8.280 nan 0.000 0.498 215 I N -0.561 120.015 120.570 0.009 0.000 2.286 215 I HA -0.297 3.873 4.170 -0.001 0.000 0.245 215 I C 2.292 178.336 176.117 -0.123 0.000 1.104 215 I CA 1.041 62.320 61.300 -0.035 0.000 1.397 215 I CB -0.405 37.641 38.000 0.077 0.000 1.072 215 I HN 0.257 nan 8.210 nan 0.000 0.417 216 L N 0.143 121.245 121.223 -0.201 0.000 2.017 216 L HA -0.247 4.092 4.340 -0.001 0.000 0.208 216 L C 2.717 179.575 176.870 -0.020 0.000 1.073 216 L CA 1.364 56.024 54.840 -0.301 0.000 0.745 216 L CB -0.761 40.947 42.059 -0.584 0.000 0.894 216 L HN 0.357 nan 8.230 nan 0.000 0.432 217 Q N 1.119 120.871 119.800 -0.080 0.000 2.170 217 Q HA -0.204 4.136 4.340 -0.001 0.000 0.203 217 Q C 1.688 177.648 176.000 -0.067 0.000 0.976 217 Q CA 1.527 57.302 55.803 -0.046 0.000 0.858 217 Q CB 0.093 28.773 28.738 -0.097 0.000 0.907 217 Q HN 0.479 nan 8.270 nan 0.000 0.433 218 K N -0.439 119.877 120.400 -0.139 0.000 2.458 218 K HA 0.104 4.424 4.320 -0.001 0.000 0.194 218 K C 0.690 177.253 176.600 -0.062 0.000 1.024 218 K CA 0.122 56.324 56.287 -0.142 0.000 1.108 218 K CB 0.490 32.835 32.500 -0.258 0.000 0.846 218 K HN -0.072 nan 8.250 nan 0.000 0.518 219 S N -0.168 115.549 115.700 0.028 0.000 2.754 219 S HA 0.199 4.669 4.470 -0.001 0.000 0.247 219 S C 0.793 175.489 174.600 0.161 0.000 1.031 219 S CA 0.091 58.354 58.200 0.106 0.000 1.014 219 S CB 1.271 64.573 63.200 0.171 0.000 0.918 219 S HN 0.532 nan 8.310 nan 0.000 0.519 220 G N 1.254 110.101 108.800 0.079 0.000 2.179 220 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.260 220 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.260 220 G C -0.018 174.849 174.900 -0.055 0.000 0.977 220 G CA -0.315 44.779 45.100 -0.011 0.000 0.641 220 G HN 0.448 nan 8.290 nan 0.000 0.533 221 F N 0.535 120.443 119.950 -0.069 0.000 2.459 221 F HA 0.527 5.054 4.527 -0.001 0.000 0.346 221 F C 1.690 177.430 175.800 -0.102 0.000 1.128 221 F CA 0.356 58.311 58.000 -0.075 0.000 1.268 221 F CB 1.046 40.007 39.000 -0.066 0.000 1.161 221 F HN -0.073 nan 8.300 nan 0.000 0.583 222 K N 0.817 121.222 120.400 0.008 0.000 2.425 222 K HA 0.220 4.540 4.320 -0.001 0.000 0.201 222 K C -0.517 176.006 176.600 -0.128 0.000 1.128 222 K CA 0.033 56.268 56.287 -0.087 0.000 1.000 222 K CB 0.438 32.834 32.500 -0.174 0.000 0.961 222 K HN 0.614 nan 8.250 nan 0.000 0.555 223 N N 0.521 119.133 118.700 -0.146 0.000 2.591 223 N HA 0.426 5.166 4.740 -0.001 0.000 0.263 223 N C -1.384 173.993 175.510 -0.221 0.000 1.308 223 N CA -0.777 52.031 53.050 -0.404 0.000 0.837 223 N CB 1.988 39.651 38.487 -1.374 0.000 1.548 223 N HN -0.062 nan 8.380 nan 0.000 0.493 224 M N -0.323 119.158 119.600 -0.198 0.000 2.578 224 M HA 0.624 5.103 4.480 -0.001 0.000 0.276 224 M C -2.136 174.259 176.300 0.158 0.000 1.245 224 M CA -0.932 54.390 55.300 0.037 0.000 0.871 224 M CB 2.413 35.017 32.600 0.007 0.000 1.722 224 M HN 0.509 nan 8.290 nan 0.000 0.473 225 L N 3.614 124.943 121.223 0.176 0.000 2.401 225 L HA 0.887 5.226 4.340 -0.001 0.000 0.266 225 L C -1.489 175.273 176.870 -0.180 0.000 0.991 225 L CA -0.739 54.162 54.840 0.102 0.000 0.818 225 L CB 2.057 44.228 42.059 0.186 0.000 1.321 225 L HN 0.939 nan 8.230 nan 0.000 0.413 226 I N 0.895 121.267 120.570 -0.331 0.000 3.042 226 I HA 0.612 4.781 4.170 -0.001 0.000 0.310 226 I C -0.753 175.069 176.117 -0.491 0.000 1.117 226 I CA -0.575 60.339 61.300 -0.643 0.000 1.003 226 I CB 2.263 39.602 38.000 -1.102 0.000 1.228 226 I HN 0.743 nan 8.210 nan 0.000 0.443 227 Q N 2.301 121.874 119.800 -0.378 0.000 2.563 227 Q HA 0.332 4.672 4.340 -0.001 0.000 0.236 227 Q C 0.059 175.950 176.000 -0.182 0.000 0.792 227 Q CA 0.483 56.135 55.803 -0.251 0.000 0.960 227 Q CB 0.573 29.157 28.738 -0.256 0.000 1.304 227 Q HN 0.668 nan 8.270 nan 0.000 0.566 228 R N 2.051 122.453 120.500 -0.163 0.000 2.608 228 R HA 0.329 4.668 4.340 -0.001 0.000 0.277 228 R C -0.654 175.368 176.300 -0.462 0.000 1.341 228 R CA 0.556 56.323 56.100 -0.554 0.000 1.199 228 R CB 0.118 29.718 30.300 -1.167 0.000 1.156 228 R HN 0.385 nan 8.270 nan 0.000 0.558 229 T N -2.606 111.922 114.554 -0.043 0.000 2.924 229 T HA 0.126 4.476 4.350 -0.001 0.000 0.291 229 T C -0.008 174.956 174.700 0.440 0.000 1.045 229 T CA -0.905 61.297 62.100 0.171 0.000 1.015 229 T CB 1.689 70.490 68.868 -0.113 0.000 1.103 229 T HN 0.412 nan 8.240 nan 0.000 0.496 230 H N 2.109 121.403 119.070 0.374 0.000 3.167 230 H HA -0.061 4.494 4.556 -0.001 0.000 0.306 230 H C 1.116 176.499 175.328 0.092 0.000 0.965 230 H CA 0.339 56.495 56.048 0.181 0.000 1.408 230 H CB 0.201 30.100 29.762 0.229 0.000 1.406 230 H HN 0.920 nan 8.280 nan 0.000 0.576 231 Y N 2.593 122.994 120.300 0.168 0.000 2.241 231 Y HA -0.212 4.337 4.550 -0.001 0.000 0.286 231 Y C 2.143 178.212 175.900 0.283 0.000 1.166 231 Y CA 1.113 59.351 58.100 0.230 0.000 1.203 231 Y CB -0.698 37.840 38.460 0.130 0.000 0.977 231 Y HN 0.312 nan 8.280 nan 0.000 0.529 232 S N 0.217 115.943 115.700 0.043 0.000 2.406 232 S HA -0.107 4.362 4.470 -0.001 0.000 0.228 232 S C 2.074 176.572 174.600 -0.171 0.000 1.020 232 S CA 1.116 59.204 58.200 -0.187 0.000 0.965 232 S CB -0.502 62.288 63.200 -0.683 0.000 0.798 232 S HN 0.378 nan 8.310 nan 0.000 0.488 233 V N 1.784 121.670 119.914 -0.046 0.000 2.307 233 V HA -0.143 3.976 4.120 -0.001 0.000 0.245 233 V C 2.243 178.370 176.094 0.055 0.000 1.045 233 V CA 1.557 63.864 62.300 0.012 0.000 1.024 233 V CB -0.486 31.455 31.823 0.195 0.000 0.651 233 V HN 0.379 nan 8.190 nan 0.000 0.449 234 K N 0.107 120.583 120.400 0.127 0.000 2.074 234 K HA -0.279 4.041 4.320 -0.001 0.000 0.209 234 K C 2.248 178.983 176.600 0.223 0.000 1.048 234 K CA 2.042 58.425 56.287 0.159 0.000 0.926 234 K CB -0.221 32.436 32.500 0.261 0.000 0.713 234 K HN 0.384 nan 8.250 nan 0.000 0.444 235 K N 0.935 121.461 120.400 0.209 0.000 2.062 235 K HA -0.200 4.120 4.320 -0.001 0.000 0.205 235 K C 2.081 178.779 176.600 0.163 0.000 1.051 235 K CA 1.578 58.001 56.287 0.226 0.000 0.941 235 K CB 0.051 32.613 32.500 0.103 0.000 0.719 235 K HN -0.054 nan 8.250 nan 0.000 0.440 236 E N 0.911 121.125 120.200 0.023 0.000 2.077 236 E HA -0.138 4.212 4.350 -0.001 0.000 0.193 236 E C 1.871 178.465 176.600 -0.009 0.000 0.989 236 E CA 1.386 57.759 56.400 -0.045 0.000 0.800 236 E CB -0.134 29.488 29.700 -0.131 0.000 0.746 236 E HN 0.368 nan 8.360 nan 0.000 0.452 237 L N -0.445 120.786 121.223 0.013 0.000 2.179 237 L HA 0.018 4.358 4.340 -0.001 0.000 0.208 237 L C 2.456 179.346 176.870 0.033 0.000 1.096 237 L CA 0.792 55.631 54.840 -0.001 0.000 0.779 237 L CB -0.522 41.520 42.059 -0.027 0.000 0.922 237 L HN 0.185 nan 8.230 nan 0.000 0.443 238 A N -0.179 122.713 122.820 0.120 0.000 1.933 238 A HA -0.250 4.069 4.320 -0.001 0.000 0.218 238 A C 2.208 179.971 177.584 0.297 0.000 1.175 238 A CA 1.493 53.651 52.037 0.202 0.000 0.628 238 A CB -0.435 18.836 19.000 0.452 0.000 0.814 238 A HN 0.450 nan 8.150 nan 0.000 0.444 239 Q N -0.881 119.055 119.800 0.226 0.000 2.226 239 Q HA -0.133 4.206 4.340 -0.001 0.000 0.204 239 Q C 1.313 177.306 176.000 -0.013 0.000 0.975 239 Q CA 1.226 57.022 55.803 -0.012 0.000 0.866 239 Q CB -0.005 28.577 28.738 -0.259 0.000 0.915 239 Q HN 0.629 nan 8.270 nan 0.000 0.440 240 Q N -0.152 119.650 119.800 0.003 0.000 2.280 240 Q HA 0.136 4.475 4.340 -0.001 0.000 0.201 240 Q C -0.422 175.591 176.000 0.020 0.000 0.890 240 Q CA -0.027 55.773 55.803 -0.005 0.000 0.947 240 Q CB 0.638 29.364 28.738 -0.020 0.000 1.081 240 Q HN 0.272 nan 8.270 nan 0.000 0.502 241 R N 0.920 121.438 120.500 0.030 0.000 3.333 241 R HA -0.206 4.133 4.340 -0.001 0.000 0.256 241 R C -0.175 176.150 176.300 0.042 0.000 1.010 241 R CA 0.483 56.590 56.100 0.012 0.000 0.680 241 R CB -1.864 28.467 30.300 0.051 0.000 1.102 241 R HN 0.418 nan 8.270 nan 0.000 0.440 242 Q N 0.065 119.881 119.800 0.026 0.000 2.186 242 Q HA 0.192 4.532 4.340 -0.001 0.000 0.241 242 Q C 1.236 177.317 176.000 0.135 0.000 0.849 242 Q CA -0.237 55.619 55.803 0.087 0.000 1.053 242 Q CB 0.532 29.288 28.738 0.030 0.000 1.146 242 Q HN 0.434 nan 8.270 nan 0.000 0.475 243 L N 0.084 121.315 121.223 0.014 0.000 2.395 243 L HA 0.032 4.372 4.340 -0.001 0.000 0.218 243 L C 0.344 177.195 176.870 -0.032 0.000 1.130 243 L CA 0.989 55.806 54.840 -0.039 0.000 0.826 243 L CB 0.303 42.138 42.059 -0.375 0.000 0.941 243 L HN 0.188 nan 8.230 nan 0.000 0.451 244 E N 0.083 120.307 120.200 0.039 0.000 2.176 244 E HA 0.513 4.862 4.350 -0.001 0.000 0.267 244 E C -1.239 175.266 176.600 -0.158 0.000 0.893 244 E CA -0.520 55.700 56.400 -0.300 0.000 0.761 244 E CB 1.525 31.206 29.700 -0.031 0.000 1.133 244 E HN -0.003 nan 8.360 nan 0.000 0.409 245 F N -0.169 119.531 119.950 -0.417 0.000 2.686 245 F HA 0.477 5.003 4.527 -0.001 0.000 0.311 245 F C -1.461 174.236 175.800 -0.172 0.000 1.128 245 F CA -1.400 56.495 58.000 -0.174 0.000 0.946 245 F CB 0.792 39.724 39.000 -0.112 0.000 1.336 245 F HN 0.149 nan 8.300 nan 0.000 0.457 246 L N 2.533 123.906 121.223 0.250 0.000 2.282 246 L HA 0.171 4.510 4.340 -0.001 0.000 0.287 246 L C -1.117 175.974 176.870 0.368 0.000 1.075 246 L CA -0.212 54.774 54.840 0.243 0.000 0.839 246 L CB 0.424 42.630 42.059 0.245 0.000 1.219 246 L HN 0.589 nan 8.230 nan 0.000 0.434 247 W N 6.835 128.238 121.300 0.172 0.000 2.387 247 W HA 0.349 5.008 4.660 -0.001 0.000 0.310 247 W C 0.242 176.787 176.519 0.044 0.000 1.181 247 W CA -1.288 56.178 57.345 0.201 0.000 1.333 247 W CB 0.414 30.043 29.460 0.281 0.000 1.286 247 W HN 0.499 nan 8.180 nan 0.000 0.455 248 R N 3.857 124.531 120.500 0.291 0.000 2.856 248 R HA 0.560 4.900 4.340 -0.001 0.000 0.258 248 R C -0.209 175.995 176.300 -0.161 0.000 1.066 248 R CA -0.951 55.142 56.100 -0.012 0.000 1.045 248 R CB 1.049 31.329 30.300 -0.033 0.000 1.178 248 R HN 0.234 nan 8.270 nan 0.000 0.499 249 Q N 1.334 120.877 119.800 -0.428 0.000 2.394 249 Q HA 0.080 4.420 4.340 -0.001 0.000 0.248 249 Q C 1.432 177.052 176.000 -0.634 0.000 0.992 249 Q CA 0.050 55.395 55.803 -0.764 0.000 0.888 249 Q CB 0.901 28.680 28.738 -1.600 0.000 1.257 249 Q HN 0.839 nan 8.270 nan 0.000 0.462 250 I N -1.953 118.364 120.570 -0.422 0.000 2.530 250 I HA -0.160 4.010 4.170 -0.001 0.000 0.257 250 I C 1.215 177.291 176.117 -0.068 0.000 1.179 250 I CA 1.301 62.504 61.300 -0.163 0.000 1.440 250 I CB -0.338 37.650 38.000 -0.020 0.000 1.087 250 I HN 0.669 nan 8.210 nan 0.000 0.440 251 W N 1.174 122.533 121.300 0.098 0.000 3.220 251 W HA 0.384 5.044 4.660 -0.001 0.000 0.328 251 W C 0.174 176.772 176.519 0.133 0.000 1.205 251 W CA -0.751 56.715 57.345 0.201 0.000 1.773 251 W CB -0.658 29.003 29.460 0.336 0.000 1.086 251 W HN -0.077 nan 8.180 nan 0.000 0.622 252 D N 2.074 122.238 120.400 -0.394 0.000 2.422 252 D HA -0.029 4.610 4.640 -0.001 0.000 0.227 252 D C 1.083 177.363 176.300 -0.033 0.000 1.190 252 D CA 0.219 54.107 54.000 -0.186 0.000 0.905 252 D CB -0.019 40.567 40.800 -0.357 0.000 1.034 252 D HN 0.265 nan 8.370 nan 0.000 0.507 253 N N 3.601 122.340 118.700 0.065 0.000 2.270 253 N HA -0.144 4.596 4.740 -0.001 0.000 0.181 253 N C 1.392 176.924 175.510 0.037 0.000 1.016 253 N CA 0.552 53.633 53.050 0.051 0.000 0.870 253 N CB 0.242 38.780 38.487 0.084 0.000 0.979 253 N HN 0.298 nan 8.380 nan 0.000 0.431 254 K N -0.387 120.040 120.400 0.045 0.000 2.098 254 K HA -0.005 4.315 4.320 -0.001 0.000 0.203 254 K C 0.784 177.400 176.600 0.026 0.000 1.051 254 K CA 1.133 57.442 56.287 0.038 0.000 0.957 254 K CB 0.095 32.623 32.500 0.046 0.000 0.738 254 K HN 0.299 nan 8.250 nan 0.000 0.447 255 G N 0.956 109.764 108.800 0.013 0.000 2.148 255 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.203 255 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.203 255 G C 0.174 175.079 174.900 0.009 0.000 0.993 255 G CA 0.315 45.421 45.100 0.009 0.000 0.661 255 G HN 0.340 nan 8.290 nan 0.000 0.518 256 D N 0.556 120.962 120.400 0.010 0.000 2.310 256 D HA -0.032 4.608 4.640 -0.001 0.000 0.212 256 D C 2.582 178.873 176.300 -0.014 0.000 0.965 256 D CA 1.786 55.790 54.000 0.007 0.000 0.879 256 D CB -0.081 40.732 40.800 0.021 0.000 0.921 256 D HN 0.659 nan 8.370 nan 0.000 0.510 257 T N -1.996 112.539 114.554 -0.031 0.000 3.100 257 T HA 0.326 4.676 4.350 -0.001 0.000 0.253 257 T C 0.994 175.657 174.700 -0.062 0.000 1.118 257 T CA -0.091 61.969 62.100 -0.066 0.000 1.058 257 T CB 0.086 68.899 68.868 -0.092 0.000 0.953 257 T HN 0.054 nan 8.240 nan 0.000 0.515 258 A N 1.547 124.356 122.820 -0.018 0.000 2.567 258 A HA 0.492 4.812 4.320 -0.001 0.000 0.240 258 A C -0.198 177.410 177.584 0.041 0.000 1.053 258 A CA -0.199 51.860 52.037 0.036 0.000 0.755 258 A CB -0.281 18.762 19.000 0.073 0.000 0.978 258 A HN 0.596 nan 8.150 nan 0.000 0.507 259 L N 3.307 124.578 121.223 0.080 0.000 2.409 259 L HA 0.584 4.924 4.340 -0.001 0.000 0.272 259 L C -0.605 176.336 176.870 0.119 0.000 0.980 259 L CA -0.600 54.281 54.840 0.068 0.000 0.826 259 L CB 1.376 43.441 42.059 0.009 0.000 1.268 259 L HN 0.655 nan 8.230 nan 0.000 0.407 260 F N 3.995 123.906 119.950 -0.065 0.000 2.608 260 F HA 0.384 4.911 4.527 -0.001 0.000 0.380 260 F C 0.014 175.697 175.800 -0.196 0.000 1.083 260 F CA 0.870 58.794 58.000 -0.126 0.000 1.266 260 F CB 0.448 39.374 39.000 -0.124 0.000 1.076 260 F HN 0.591 nan 8.300 nan 0.000 0.574 261 T N 5.292 119.358 114.554 -0.813 0.000 2.886 261 T HA 0.215 4.564 4.350 -0.001 0.000 0.292 261 T C -1.664 172.465 174.700 -0.952 0.000 1.012 261 T CA -0.499 61.178 62.100 -0.705 0.000 0.982 261 T CB 0.984 69.432 68.868 -0.701 0.000 1.018 261 T HN 0.622 nan 8.240 nan 0.000 0.451 262 H N 2.701 121.504 119.070 -0.444 0.000 2.511 262 H HA 0.648 5.204 4.556 -0.001 0.000 0.328 262 H C -0.515 174.648 175.328 -0.274 0.000 1.044 262 H CA -0.777 55.115 56.048 -0.259 0.000 1.212 262 H CB 0.823 30.664 29.762 0.131 0.000 1.428 262 H HN 0.497 nan 8.280 nan 0.000 0.483 263 M N 6.981 126.261 119.600 -0.533 0.000 2.180 263 M HA 0.319 4.798 4.480 -0.001 0.000 0.350 263 M C -0.990 175.049 176.300 -0.436 0.000 1.125 263 M CA -0.671 54.380 55.300 -0.414 0.000 1.031 263 M CB 0.830 33.235 32.600 -0.326 0.000 1.623 263 M HN 0.659 nan 8.290 nan 0.000 0.451 264 M N 6.738 126.173 119.600 -0.275 0.000 2.248 264 M HA 0.171 4.650 4.480 -0.001 0.000 0.337 264 M C -1.541 174.611 176.300 -0.246 0.000 1.121 264 M CA -1.103 54.078 55.300 -0.198 0.000 1.155 264 M CB 0.386 32.893 32.600 -0.155 0.000 1.514 264 M HN 0.494 nan 8.290 nan 0.000 0.452 265 P HA 0.046 nan 4.420 nan 0.000 0.235 265 P C -0.221 176.864 177.300 -0.359 0.000 1.177 265 P CA 1.012 63.792 63.100 -0.535 0.000 0.785 265 P CB 0.310 31.420 31.700 -0.983 0.000 0.885 266 F N -1.706 118.227 119.950 -0.029 0.000 2.452 266 F HA 0.275 4.801 4.527 -0.001 0.000 0.353 266 F C 2.110 177.995 175.800 0.141 0.000 1.089 266 F CA -1.455 56.571 58.000 0.043 0.000 1.080 266 F CB -1.004 37.963 39.000 -0.054 0.000 1.399 266 F HN -0.292 nan 8.300 nan 0.000 0.492 267 Y N 0.074 120.537 120.300 0.271 0.000 2.352 267 Y HA 0.056 4.606 4.550 -0.001 0.000 0.292 267 Y C 0.959 176.801 175.900 -0.097 0.000 1.136 267 Y CA 1.377 59.501 58.100 0.040 0.000 1.227 267 Y CB 0.042 38.437 38.460 -0.107 0.000 0.991 267 Y HN 0.387 nan 8.280 nan 0.000 0.545 268 S N -1.923 113.659 115.700 -0.197 0.000 2.671 268 S HA 0.255 4.725 4.470 -0.001 0.000 0.277 268 S C -0.405 174.141 174.600 -0.090 0.000 1.165 268 S CA -0.309 57.677 58.200 -0.356 0.000 0.822 268 S CB 0.236 63.142 63.200 -0.491 0.000 1.150 268 S HN 0.290 nan 8.310 nan 0.000 0.479 269 Y N 0.723 120.989 120.300 -0.056 0.000 2.457 269 Y HA 0.338 4.888 4.550 -0.001 0.000 0.263 269 Y C 0.384 176.369 175.900 0.141 0.000 1.164 269 Y CA -0.506 57.580 58.100 -0.023 0.000 1.274 269 Y CB -1.010 37.333 38.460 -0.195 0.000 1.097 269 Y HN 0.552 nan 8.280 nan 0.000 0.523 270 D N 0.786 121.216 120.400 0.051 0.000 2.363 270 D HA -0.038 4.602 4.640 -0.001 0.000 0.240 270 D C 1.290 177.726 176.300 0.227 0.000 1.236 270 D CA -0.332 53.780 54.000 0.187 0.000 0.927 270 D CB 0.852 41.727 40.800 0.125 0.000 1.150 270 D HN 0.257 nan 8.370 nan 0.000 0.458 271 I N -0.086 120.595 120.570 0.184 0.000 2.163 271 I HA -0.175 3.994 4.170 -0.001 0.000 0.243 271 I C -0.716 175.436 176.117 0.059 0.000 1.085 271 I CA 0.988 62.377 61.300 0.149 0.000 1.347 271 I CB -1.219 36.857 38.000 0.127 0.000 1.044 271 I HN 0.347 nan 8.210 nan 0.000 0.408 272 P HA -0.165 nan 4.420 nan 0.000 0.219 272 P C 0.890 177.856 177.300 -0.557 0.000 1.146 272 P CA 1.560 64.464 63.100 -0.328 0.000 0.808 272 P CB -0.108 31.378 31.700 -0.358 0.000 0.779 273 H N -2.404 116.647 119.070 -0.031 0.000 2.486 273 H HA 0.272 4.828 4.556 -0.001 0.000 0.284 273 H C 0.813 176.236 175.328 0.158 0.000 1.103 273 H CA 0.791 56.830 56.048 -0.016 0.000 1.089 273 H CB 0.040 29.865 29.762 0.105 0.000 1.603 273 H HN 0.230 nan 8.280 nan 0.000 0.557 274 T N -3.439 111.229 114.554 0.191 0.000 2.969 274 T HA -0.046 4.304 4.350 -0.001 0.000 0.258 274 T C 1.962 176.792 174.700 0.216 0.000 0.962 274 T CA 0.319 62.567 62.100 0.247 0.000 0.903 274 T CB -0.791 68.210 68.868 0.223 0.000 1.177 274 T HN 0.432 nan 8.240 nan 0.000 0.511 275 c N 1.757 120.455 118.600 0.163 0.000 2.495 275 c HA 0.689 5.259 4.570 -0.001 0.000 0.275 275 c C 1.383 175.601 174.090 0.213 0.000 1.392 275 c CA 0.470 56.937 56.329 0.230 0.000 1.766 275 c CB -1.179 41.426 42.510 0.158 0.000 1.933 275 c HN 0.871 nan 8.230 nan 0.000 0.519 276 G N -0.314 108.530 108.800 0.073 0.000 2.325 276 G HA2 0.383 4.342 3.960 -0.001 0.000 0.295 276 G HA3 0.383 4.342 3.960 -0.001 0.000 0.295 276 G C -2.624 171.905 174.900 -0.618 0.000 1.274 276 G CA 0.275 45.367 45.100 -0.012 0.000 0.857 276 G HN -0.089 nan 8.290 nan 0.000 0.499 277 P HA 0.074 nan 4.420 nan 0.000 0.223 277 P C -0.136 176.745 177.300 -0.697 0.000 1.151 277 P CA 1.117 63.598 63.100 -1.032 0.000 0.787 277 P CB 0.344 31.756 31.700 -0.480 0.000 0.788 278 D N 0.728 120.832 120.400 -0.493 0.000 2.427 278 D HA 0.144 4.783 4.640 -0.001 0.000 0.226 278 D C -1.516 174.437 176.300 -0.577 0.000 1.076 278 D CA -2.640 51.110 54.000 -0.417 0.000 0.849 278 D CB 1.451 42.095 40.800 -0.259 0.000 1.052 278 D HN -0.004 nan 8.370 nan 0.000 0.515 279 P HA -0.121 nan 4.420 nan 0.000 0.221 279 P C 1.198 177.697 177.300 -1.335 0.000 1.150 279 P CA 0.647 62.965 63.100 -1.303 0.000 0.800 279 P CB 0.521 31.118 31.700 -1.839 0.000 0.787 280 K N 0.357 120.161 120.400 -0.993 0.000 2.148 280 K HA -0.053 4.266 4.320 -0.001 0.000 0.204 280 K C 1.755 178.205 176.600 -0.251 0.000 1.050 280 K CA 1.016 57.039 56.287 -0.439 0.000 0.942 280 K CB -0.177 32.252 32.500 -0.119 0.000 0.724 280 K HN -0.067 nan 8.250 nan 0.000 0.446 281 V N 0.389 120.146 119.914 -0.261 0.000 2.379 281 V HA -0.221 3.898 4.120 -0.001 0.000 0.243 281 V C 2.400 178.473 176.094 -0.035 0.000 1.035 281 V CA 1.279 63.514 62.300 -0.108 0.000 1.035 281 V CB -0.324 31.446 31.823 -0.089 0.000 0.673 281 V HN 0.459 nan 8.190 nan 0.000 0.457 282 c N -0.622 117.880 118.600 -0.164 0.000 2.411 282 c HA -0.212 4.358 4.570 -0.001 0.000 0.279 282 c C 3.002 177.063 174.090 -0.049 0.000 1.288 282 c CA 0.870 57.161 56.329 -0.065 0.000 1.764 282 c CB -1.495 40.890 42.510 -0.207 0.000 1.974 282 c HN 0.763 nan 8.230 nan 0.000 0.498 283 c N 0.832 119.320 118.600 -0.186 0.000 2.411 283 c HA -0.166 4.404 4.570 -0.001 0.000 0.279 283 c C 2.619 176.603 174.090 -0.177 0.000 1.288 283 c CA 1.319 57.587 56.329 -0.101 0.000 1.764 283 c CB -1.430 41.117 42.510 0.062 0.000 1.974 283 c HN 0.644 nan 8.230 nan 0.000 0.498 284 Q N -1.381 118.256 119.800 -0.270 0.000 2.541 284 Q HA -0.032 4.307 4.340 -0.001 0.000 0.215 284 Q C 0.678 176.003 176.000 -1.125 0.000 0.977 284 Q CA 0.981 56.429 55.803 -0.592 0.000 0.934 284 Q CB -0.049 28.325 28.738 -0.607 0.000 0.988 284 Q HN 0.736 nan 8.270 nan 0.000 0.521 285 F N -0.270 119.404 119.950 -0.460 0.000 2.668 285 F HA 0.170 4.697 4.527 -0.001 0.000 0.301 285 F C 0.220 175.775 175.800 -0.409 0.000 1.106 285 F CA -0.595 57.053 58.000 -0.587 0.000 1.289 285 F CB 0.792 39.672 39.000 -0.201 0.000 1.006 285 F HN -0.139 nan 8.300 nan 0.000 0.535 286 D N 0.077 120.275 120.400 -0.336 0.000 2.473 286 D HA 0.135 4.775 4.640 -0.001 0.000 0.226 286 D C 0.520 176.653 176.300 -0.279 0.000 1.089 286 D CA -0.381 53.539 54.000 -0.134 0.000 0.883 286 D CB 0.143 40.907 40.800 -0.061 0.000 1.029 286 D HN 0.082 nan 8.370 nan 0.000 0.517 287 F N 1.799 121.765 119.950 0.027 0.000 2.771 287 F HA 0.073 4.599 4.527 -0.001 0.000 0.299 287 F C 2.308 178.073 175.800 -0.060 0.000 1.177 287 F CA 0.351 58.342 58.000 -0.016 0.000 1.450 287 F CB 0.043 39.056 39.000 0.021 0.000 1.114 287 F HN 0.248 nan 8.300 nan 0.000 0.587 288 K N 0.654 121.007 120.400 -0.077 0.000 2.444 288 K HA 0.085 4.405 4.320 -0.001 0.000 0.193 288 K C 0.885 177.489 176.600 0.006 0.000 1.024 288 K CA 0.169 56.291 56.287 -0.274 0.000 1.077 288 K CB 0.137 32.313 32.500 -0.541 0.000 0.833 288 K HN 0.191 nan 8.250 nan 0.000 0.517 289 R N 0.069 120.582 120.500 0.021 0.000 2.694 289 R HA 0.226 4.566 4.340 -0.001 0.000 0.334 289 R C 0.747 177.079 176.300 0.054 0.000 1.143 289 R CA -0.180 55.947 56.100 0.045 0.000 1.073 289 R CB 0.300 30.598 30.300 -0.003 0.000 1.366 289 R HN 0.157 nan 8.270 nan 0.000 0.577 290 M N -1.011 118.656 119.600 0.112 0.000 2.502 290 M HA 0.180 4.660 4.480 -0.001 0.000 0.243 290 M C 1.141 177.473 176.300 0.053 0.000 1.130 290 M CA 0.738 56.079 55.300 0.069 0.000 1.055 290 M CB 0.970 33.623 32.600 0.087 0.000 1.457 290 M HN 0.530 nan 8.290 nan 0.000 0.488 291 G N -0.080 108.766 108.800 0.076 0.000 3.638 291 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.196 291 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.196 291 G C 0.962 175.844 174.900 -0.030 0.000 1.315 291 G CA 0.215 45.328 45.100 0.021 0.000 0.944 291 G HN 0.392 nan 8.290 nan 0.000 0.434 292 S N 0.377 116.001 115.700 -0.126 0.000 2.500 292 S HA 0.165 4.635 4.470 -0.001 0.000 0.239 292 S C 1.628 175.946 174.600 -0.469 0.000 0.989 292 S CA 1.597 59.604 58.200 -0.321 0.000 0.951 292 S CB -0.440 62.485 63.200 -0.457 0.000 0.759 292 S HN 0.401 nan 8.310 nan 0.000 0.523 293 F N 1.458 121.402 119.950 -0.010 0.000 2.664 293 F HA 0.482 5.009 4.527 -0.001 0.000 0.303 293 F C 2.042 177.838 175.800 -0.008 0.000 1.092 293 F CA -0.137 57.856 58.000 -0.011 0.000 1.305 293 F CB 0.108 39.098 39.000 -0.017 0.000 1.054 293 F HN 0.355 nan 8.300 nan 0.000 0.565 294 G N 0.658 109.516 108.800 0.098 0.000 2.498 294 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.229 294 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.229 294 G C 0.521 175.465 174.900 0.073 0.000 1.156 294 G CA 0.108 45.246 45.100 0.064 0.000 0.680 294 G HN 0.207 nan 8.290 nan 0.000 0.512 295 L N 1.727 123.017 121.223 0.113 0.000 2.499 295 L HA 0.486 4.826 4.340 -0.001 0.000 0.281 295 L C 1.078 177.984 176.870 0.060 0.000 1.234 295 L CA 0.713 55.602 54.840 0.083 0.000 0.839 295 L CB 0.813 42.922 42.059 0.084 0.000 1.104 295 L HN 0.776 nan 8.230 nan 0.000 0.500 296 S N -0.131 115.591 115.700 0.036 0.000 2.656 296 S HA 0.454 4.923 4.470 -0.001 0.000 0.273 296 S C -1.147 173.465 174.600 0.020 0.000 1.168 296 S CA -1.012 57.199 58.200 0.018 0.000 0.817 296 S CB 1.407 64.606 63.200 -0.002 0.000 1.146 296 S HN 0.529 nan 8.310 nan 0.000 0.475 297 c N 3.189 121.802 118.600 0.021 0.000 2.246 297 c HA 0.535 5.105 4.570 -0.001 0.000 0.329 297 c C -1.019 173.039 174.090 -0.054 0.000 1.221 297 c CA -1.142 55.234 56.329 0.078 0.000 1.697 297 c CB 0.658 43.250 42.510 0.136 0.000 2.312 297 c HN 0.749 nan 8.230 nan 0.000 0.509 298 P HA -0.071 nan 4.420 nan 0.000 0.234 298 P C 0.951 177.905 177.300 -0.577 0.000 1.167 298 P CA 1.063 63.852 63.100 -0.517 0.000 0.763 298 P CB 0.094 31.337 31.700 -0.762 0.000 0.835 299 W N 0.866 122.141 121.300 -0.041 0.000 3.345 299 W HA 0.180 4.840 4.660 -0.001 0.000 0.282 299 W C 0.776 177.266 176.519 -0.049 0.000 1.302 299 W CA 0.077 57.393 57.345 -0.048 0.000 1.724 299 W CB -0.372 29.050 29.460 -0.065 0.000 1.104 299 W HN 0.168 nan 8.180 nan 0.000 0.694 300 K N -1.496 118.931 120.400 0.045 0.000 3.587 300 K HA -0.194 4.126 4.320 -0.001 0.000 0.294 300 K C -0.083 176.531 176.600 0.022 0.000 1.279 300 K CA 0.813 57.109 56.287 0.015 0.000 1.004 300 K CB -1.954 30.548 32.500 0.003 0.000 1.276 300 K HN -0.092 nan 8.250 nan 0.000 0.459 301 V N 2.558 122.499 119.914 0.045 0.000 2.384 301 V HA 0.340 4.460 4.120 -0.001 0.000 0.287 301 V C -1.762 174.314 176.094 -0.030 0.000 1.020 301 V CA -1.496 60.802 62.300 -0.003 0.000 0.850 301 V CB 1.452 33.267 31.823 -0.013 0.000 0.987 301 V HN -0.015 nan 8.190 nan 0.000 0.436 302 P HA 0.462 nan 4.420 nan 0.000 0.281 302 P C -2.853 174.348 177.300 -0.164 0.000 1.264 302 P CA -2.148 60.903 63.100 -0.082 0.000 0.824 302 P CB 1.075 32.743 31.700 -0.053 0.000 1.092 303 P HA 0.318 nan 4.420 nan 0.000 0.274 303 P C -0.445 176.741 177.300 -0.191 0.000 1.237 303 P CA -0.067 62.804 63.100 -0.382 0.000 0.793 303 P CB 0.976 32.355 31.700 -0.535 0.000 0.977 304 R N -0.202 120.207 120.500 -0.153 0.000 2.628 304 R HA 0.375 4.714 4.340 -0.001 0.000 0.288 304 R C -0.294 176.065 176.300 0.098 0.000 0.980 304 R CA -0.576 55.508 56.100 -0.027 0.000 0.891 304 R CB 1.544 31.807 30.300 -0.062 0.000 1.188 304 R HN 0.374 nan 8.270 nan 0.000 0.450 305 T N 3.971 118.582 114.554 0.096 0.000 2.933 305 T HA 0.030 4.380 4.350 -0.001 0.000 0.306 305 T C 0.715 175.423 174.700 0.014 0.000 1.045 305 T CA 0.208 62.348 62.100 0.067 0.000 1.143 305 T CB 0.163 69.044 68.868 0.023 0.000 1.003 305 T HN 0.192 nan 8.240 nan 0.000 0.540 306 I N 3.498 124.037 120.570 -0.053 0.000 2.519 306 I HA 0.349 4.519 4.170 -0.001 0.000 0.287 306 I C 0.947 177.023 176.117 -0.068 0.000 1.047 306 I CA 0.039 61.298 61.300 -0.068 0.000 1.381 306 I CB 0.752 38.670 38.000 -0.136 0.000 1.417 306 I HN 0.842 nan 8.210 nan 0.000 0.540 307 S N 3.443 119.110 115.700 -0.055 0.000 2.705 307 S HA 0.408 4.877 4.470 -0.001 0.000 0.280 307 S C 0.192 174.763 174.600 -0.047 0.000 1.174 307 S CA -0.738 57.436 58.200 -0.043 0.000 0.823 307 S CB 1.900 65.082 63.200 -0.030 0.000 1.162 307 S HN 0.493 nan 8.310 nan 0.000 0.487 308 D N 0.555 120.937 120.400 -0.031 0.000 2.218 308 D HA -0.037 4.603 4.640 -0.001 0.000 0.204 308 D C 1.614 177.893 176.300 -0.035 0.000 0.976 308 D CA 1.345 55.328 54.000 -0.027 0.000 0.853 308 D CB -0.246 40.552 40.800 -0.003 0.000 0.939 308 D HN 0.467 nan 8.370 nan 0.000 0.481 309 Q N 0.417 120.199 119.800 -0.029 0.000 2.172 309 Q HA -0.069 4.271 4.340 -0.001 0.000 0.200 309 Q C 1.428 177.406 176.000 -0.036 0.000 0.964 309 Q CA 1.161 56.948 55.803 -0.026 0.000 0.855 309 Q CB -0.203 28.524 28.738 -0.019 0.000 0.918 309 Q HN 0.417 nan 8.270 nan 0.000 0.444 310 N N -1.619 117.052 118.700 -0.048 0.000 2.181 310 N HA -0.002 4.737 4.740 -0.001 0.000 0.207 310 N C 1.135 176.598 175.510 -0.079 0.000 1.182 310 N CA 0.184 53.204 53.050 -0.049 0.000 0.893 310 N CB -0.313 38.152 38.487 -0.037 0.000 1.032 310 N HN 0.038 nan 8.380 nan 0.000 0.513 311 V N 0.559 120.393 119.914 -0.133 0.000 2.392 311 V HA -0.167 3.953 4.120 -0.001 0.000 0.249 311 V C 2.245 178.128 176.094 -0.352 0.000 1.059 311 V CA 2.168 64.333 62.300 -0.225 0.000 1.051 311 V CB -0.879 30.778 31.823 -0.278 0.000 0.658 311 V HN 0.466 nan 8.190 nan 0.000 0.455 312 A N -0.349 122.257 122.820 -0.356 0.000 1.873 312 A HA -0.010 4.310 4.320 -0.001 0.000 0.215 312 A C 2.428 180.041 177.584 0.048 0.000 1.186 312 A CA 2.002 53.946 52.037 -0.155 0.000 0.616 312 A CB -1.006 18.005 19.000 0.018 0.000 0.823 312 A HN 0.781 nan 8.150 nan 0.000 0.442 313 A N -0.348 122.480 122.820 0.014 0.000 1.902 313 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 313 A C 2.245 179.864 177.584 0.058 0.000 1.181 313 A CA 1.416 53.480 52.037 0.045 0.000 0.623 313 A CB -0.434 18.577 19.000 0.019 0.000 0.818 313 A HN 0.434 nan 8.150 nan 0.000 0.443 314 R N 0.058 120.585 120.500 0.046 0.000 2.066 314 R HA -0.053 4.286 4.340 -0.001 0.000 0.232 314 R C 2.420 178.758 176.300 0.064 0.000 1.131 314 R CA 1.558 57.748 56.100 0.149 0.000 0.955 314 R CB -1.063 29.335 30.300 0.163 0.000 0.851 314 R HN 0.532 nan 8.270 nan 0.000 0.432 315 S N 1.525 117.209 115.700 -0.027 0.000 2.370 315 S HA -0.141 4.328 4.470 -0.001 0.000 0.226 315 S C 1.387 175.847 174.600 -0.234 0.000 1.033 315 S CA 1.454 59.542 58.200 -0.186 0.000 1.011 315 S CB -0.272 62.970 63.200 0.070 0.000 0.852 315 S HN 0.261 nan 8.310 nan 0.000 0.457 316 D N 1.471 121.921 120.400 0.084 0.000 2.116 316 D HA -0.077 4.562 4.640 -0.001 0.000 0.193 316 D C 1.896 178.183 176.300 -0.022 0.000 0.998 316 D CA 0.868 54.969 54.000 0.169 0.000 0.836 316 D CB -0.403 40.514 40.800 0.195 0.000 0.951 316 D HN 0.282 nan 8.370 nan 0.000 0.449 317 L N -0.097 121.093 121.223 -0.055 0.000 2.017 317 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 317 L C 2.387 179.056 176.870 -0.334 0.000 1.073 317 L CA 0.550 55.334 54.840 -0.093 0.000 0.745 317 L CB -0.222 41.871 42.059 0.057 0.000 0.894 317 L HN 0.105 nan 8.230 nan 0.000 0.432 318 L N -0.772 120.056 121.223 -0.659 0.000 2.027 318 L HA -0.130 4.210 4.340 -0.001 0.000 0.206 318 L C 2.313 178.448 176.870 -1.225 0.000 1.074 318 L CA 1.595 55.714 54.840 -1.202 0.000 0.745 318 L CB -0.380 40.670 42.059 -1.681 0.000 0.898 318 L HN -0.080 nan 8.230 nan 0.000 0.433 319 V N -0.074 119.248 119.914 -0.988 0.000 2.407 319 V HA -0.288 3.831 4.120 -0.001 0.000 0.248 319 V C 2.302 178.180 176.094 -0.360 0.000 1.055 319 V CA 1.832 63.688 62.300 -0.739 0.000 1.049 319 V CB -0.756 30.575 31.823 -0.820 0.000 0.662 319 V HN 0.570 nan 8.190 nan 0.000 0.455 320 D N -0.622 119.636 120.400 -0.236 0.000 2.104 320 D HA -0.217 4.422 4.640 -0.001 0.000 0.194 320 D C 2.240 178.499 176.300 -0.068 0.000 0.994 320 D CA 1.308 55.298 54.000 -0.018 0.000 0.830 320 D CB -0.030 40.807 40.800 0.063 0.000 0.959 320 D HN 0.271 nan 8.370 nan 0.000 0.452 321 Q N -0.434 119.258 119.800 -0.179 0.000 2.061 321 Q HA -0.160 4.180 4.340 -0.001 0.000 0.204 321 Q C 2.213 178.220 176.000 0.012 0.000 0.984 321 Q CA 1.095 56.821 55.803 -0.129 0.000 0.846 321 Q CB -0.669 27.927 28.738 -0.236 0.000 0.902 321 Q HN 0.563 nan 8.270 nan 0.000 0.421 322 W N 1.323 122.508 121.300 -0.192 0.000 2.335 322 W HA -0.109 4.550 4.660 -0.001 0.000 0.311 322 W C 2.134 178.527 176.519 -0.210 0.000 1.213 322 W CA 0.795 58.028 57.345 -0.188 0.000 1.274 322 W CB -0.787 28.531 29.460 -0.236 0.000 1.148 322 W HN 0.228 nan 8.180 nan 0.000 0.498 323 K N 0.147 120.490 120.400 -0.095 0.000 2.147 323 K HA -0.152 4.168 4.320 -0.001 0.000 0.205 323 K C 1.981 178.416 176.600 -0.275 0.000 1.049 323 K CA 1.296 57.368 56.287 -0.358 0.000 0.936 323 K CB -0.199 31.760 32.500 -0.901 0.000 0.722 323 K HN 0.062 nan 8.250 nan 0.000 0.446 324 K N 0.863 121.190 120.400 -0.121 0.000 2.031 324 K HA -0.123 4.196 4.320 -0.001 0.000 0.205 324 K C 2.090 178.759 176.600 0.115 0.000 1.049 324 K CA 1.121 57.468 56.287 0.099 0.000 0.939 324 K CB 0.021 32.607 32.500 0.143 0.000 0.717 324 K HN -0.004 nan 8.250 nan 0.000 0.438 325 K N 0.840 121.312 120.400 0.121 0.000 2.063 325 K HA -0.156 4.164 4.320 -0.001 0.000 0.208 325 K C 2.037 178.751 176.600 0.189 0.000 1.048 325 K CA 1.359 57.744 56.287 0.163 0.000 0.928 325 K CB -0.146 32.472 32.500 0.197 0.000 0.713 325 K HN 0.141 nan 8.250 nan 0.000 0.442 326 A N 1.407 124.322 122.820 0.157 0.000 2.032 326 A HA -0.185 4.134 4.320 -0.001 0.000 0.221 326 A C 1.769 179.517 177.584 0.273 0.000 1.165 326 A CA 1.608 53.775 52.037 0.216 0.000 0.645 326 A CB -0.402 18.692 19.000 0.156 0.000 0.807 326 A HN 0.355 nan 8.150 nan 0.000 0.453 327 E N -0.070 120.270 120.200 0.232 0.000 2.268 327 E HA -0.089 4.260 4.350 -0.001 0.000 0.195 327 E C 1.683 178.408 176.600 0.209 0.000 0.995 327 E CA 0.680 57.227 56.400 0.245 0.000 0.836 327 E CB -0.272 29.600 29.700 0.286 0.000 0.763 327 E HN 0.738 nan 8.360 nan 0.000 0.491 328 L N -0.416 120.890 121.223 0.139 0.000 2.599 328 L HA 0.009 4.348 4.340 -0.001 0.000 0.230 328 L C 0.218 176.885 176.870 -0.339 0.000 1.141 328 L CA 0.308 55.102 54.840 -0.077 0.000 0.877 328 L CB -0.144 41.744 42.059 -0.285 0.000 1.009 328 L HN 0.002 nan 8.230 nan 0.000 0.447 329 Y N -1.750 118.630 120.300 0.133 0.000 2.602 329 Y HA 0.378 4.928 4.550 -0.001 0.000 0.342 329 Y C 1.174 177.183 175.900 0.182 0.000 1.029 329 Y CA -1.040 57.160 58.100 0.166 0.000 1.080 329 Y CB 1.101 39.675 38.460 0.189 0.000 1.284 329 Y HN -0.281 nan 8.280 nan 0.000 0.485 330 R N -0.444 120.287 120.500 0.385 0.000 2.246 330 R HA 0.059 4.399 4.340 -0.001 0.000 0.199 330 R C 0.380 176.806 176.300 0.210 0.000 0.984 330 R CA 0.956 57.197 56.100 0.235 0.000 1.015 330 R CB 0.121 30.493 30.300 0.120 0.000 0.930 330 R HN 0.771 nan 8.270 nan 0.000 0.475 331 T N -0.989 113.734 114.554 0.281 0.000 2.919 331 T HA 0.112 4.461 4.350 -0.001 0.000 0.282 331 T C 0.551 175.381 174.700 0.216 0.000 1.020 331 T CA -0.962 61.268 62.100 0.216 0.000 0.994 331 T CB 1.287 70.275 68.868 0.200 0.000 1.180 331 T HN 0.080 nan 8.240 nan 0.000 0.566 332 N N 0.227 119.023 118.700 0.160 0.000 2.327 332 N HA 0.146 4.885 4.740 -0.001 0.000 0.231 332 N C -0.757 174.772 175.510 0.031 0.000 1.130 332 N CA -0.358 52.764 53.050 0.119 0.000 0.845 332 N CB -0.078 38.365 38.487 -0.072 0.000 1.073 332 N HN 0.374 nan 8.380 nan 0.000 0.496 333 V N 1.324 121.281 119.914 0.072 0.000 2.409 333 V HA 0.405 4.524 4.120 -0.001 0.000 0.291 333 V C -0.565 175.632 176.094 0.172 0.000 1.020 333 V CA -0.970 61.373 62.300 0.071 0.000 0.848 333 V CB 1.543 33.389 31.823 0.038 0.000 0.990 333 V HN 0.186 nan 8.190 nan 0.000 0.430 334 L N 5.767 127.020 121.223 0.050 0.000 2.322 334 L HA 0.691 5.031 4.340 -0.001 0.000 0.281 334 L C -0.803 175.913 176.870 -0.256 0.000 1.014 334 L CA -0.465 54.317 54.840 -0.096 0.000 0.815 334 L CB 1.640 43.555 42.059 -0.241 0.000 1.247 334 L HN 0.641 nan 8.230 nan 0.000 0.421 335 L N 6.392 127.232 121.223 -0.639 0.000 2.264 335 L HA 0.556 4.895 4.340 -0.001 0.000 0.289 335 L C -1.033 175.531 176.870 -0.510 0.000 1.044 335 L CA 0.179 54.458 54.840 -0.934 0.000 0.807 335 L CB 0.762 41.762 42.059 -1.764 0.000 1.192 335 L HN 0.451 nan 8.230 nan 0.000 0.425 336 I N 7.422 127.785 120.570 -0.345 0.000 2.595 336 I HA 0.332 4.501 4.170 -0.001 0.000 0.275 336 I C -2.284 173.815 176.117 -0.029 0.000 1.092 336 I CA -1.978 59.218 61.300 -0.173 0.000 1.145 336 I CB 1.008 38.881 38.000 -0.211 0.000 1.276 336 I HN 0.434 nan 8.210 nan 0.000 0.497 337 P HA 0.116 nan 4.420 nan 0.000 0.267 337 P C -0.394 177.085 177.300 0.300 0.000 1.200 337 P CA -0.218 63.025 63.100 0.239 0.000 0.772 337 P CB 0.834 32.721 31.700 0.312 0.000 0.855 338 L N 2.825 124.254 121.223 0.344 0.000 2.462 338 L HA 0.753 5.093 4.340 -0.001 0.000 0.255 338 L C -0.058 176.878 176.870 0.109 0.000 1.076 338 L CA 0.379 55.344 54.840 0.208 0.000 0.920 338 L CB 0.369 42.486 42.059 0.096 0.000 1.214 338 L HN 0.615 nan 8.230 nan 0.000 0.472 339 G N 1.665 110.441 108.800 -0.041 0.000 2.342 339 G HA2 0.477 4.437 3.960 -0.001 0.000 0.297 339 G HA3 0.477 4.437 3.960 -0.001 0.000 0.297 339 G C -2.164 172.661 174.900 -0.125 0.000 1.313 339 G CA -0.215 44.632 45.100 -0.421 0.000 0.830 339 G HN 0.384 nan 8.290 nan 0.000 0.506 340 D N -1.790 118.593 120.400 -0.029 0.000 2.879 340 D HA 0.301 4.940 4.640 -0.001 0.000 0.346 340 D C -1.520 174.944 176.300 0.273 0.000 1.390 340 D CA -0.446 53.716 54.000 0.269 0.000 0.838 340 D CB 1.288 42.184 40.800 0.161 0.000 1.416 340 D HN 0.221 nan 8.370 nan 0.000 0.493 341 D N 0.382 120.992 120.400 0.350 0.000 2.417 341 D HA 0.221 4.861 4.640 -0.001 0.000 0.250 341 D C 0.181 176.650 176.300 0.282 0.000 1.166 341 D CA 0.490 54.684 54.000 0.325 0.000 0.881 341 D CB -0.275 40.825 40.800 0.500 0.000 1.164 341 D HN 0.341 nan 8.370 nan 0.000 0.467 342 F N 0.272 120.303 119.950 0.136 0.000 3.079 342 F HA -0.307 4.220 4.527 -0.001 0.000 0.274 342 F C 1.093 176.945 175.800 0.086 0.000 0.940 342 F CA 0.608 58.662 58.000 0.090 0.000 0.932 342 F CB -0.917 38.127 39.000 0.074 0.000 0.891 342 F HN 0.229 nan 8.300 nan 0.000 0.722 343 R N -0.529 120.060 120.500 0.149 0.000 2.580 343 R HA 0.487 4.826 4.340 -0.001 0.000 0.267 343 R C 0.742 177.076 176.300 0.056 0.000 1.125 343 R CA -0.746 55.331 56.100 -0.038 0.000 1.188 343 R CB -0.098 30.073 30.300 -0.214 0.000 1.155 343 R HN 0.182 nan 8.270 nan 0.000 0.586 344 F N -0.751 119.039 119.950 -0.267 0.000 3.071 344 F HA -0.279 4.247 4.527 -0.001 0.000 0.295 344 F C 1.356 177.123 175.800 -0.055 0.000 0.919 344 F CA 1.030 58.693 58.000 -0.562 0.000 1.050 344 F CB -1.107 37.314 39.000 -0.964 0.000 1.040 344 F HN 0.599 nan 8.300 nan 0.000 0.692 345 K N -0.159 120.285 120.400 0.073 0.000 2.056 345 K HA 0.026 4.345 4.320 -0.001 0.000 0.205 345 K C 0.681 177.422 176.600 0.236 0.000 1.035 345 K CA 0.763 57.175 56.287 0.208 0.000 0.955 345 K CB 0.163 32.757 32.500 0.158 0.000 0.769 345 K HN 0.231 nan 8.250 nan 0.000 0.447 346 Q N 1.497 121.392 119.800 0.158 0.000 2.314 346 Q HA 0.106 4.446 4.340 -0.001 0.000 0.258 346 Q C 0.496 176.665 176.000 0.282 0.000 0.954 346 Q CA -0.079 55.852 55.803 0.213 0.000 0.890 346 Q CB 1.094 30.004 28.738 0.287 0.000 1.210 346 Q HN 0.226 nan 8.270 nan 0.000 0.410 347 N N 0.787 119.653 118.700 0.276 0.000 2.094 347 N HA -0.174 4.565 4.740 -0.001 0.000 0.191 347 N C 1.350 176.993 175.510 0.223 0.000 1.023 347 N CA 1.993 55.216 53.050 0.288 0.000 0.857 347 N CB -0.245 38.431 38.487 0.314 0.000 1.013 347 N HN 0.783 nan 8.380 nan 0.000 0.426 348 T N -1.139 113.556 114.554 0.235 0.000 2.881 348 T HA -0.114 4.236 4.350 -0.001 0.000 0.270 348 T C 1.702 176.553 174.700 0.252 0.000 1.068 348 T CA 1.143 63.393 62.100 0.251 0.000 1.131 348 T CB -0.103 68.923 68.868 0.264 0.000 0.871 348 T HN 0.348 nan 8.240 nan 0.000 0.479 349 E N -0.179 120.109 120.200 0.148 0.000 2.072 349 E HA -0.113 4.236 4.350 -0.001 0.000 0.190 349 E C 1.823 178.292 176.600 -0.218 0.000 0.982 349 E CA 0.791 57.050 56.400 -0.235 0.000 0.803 349 E CB -0.271 29.099 29.700 -0.550 0.000 0.755 349 E HN 0.698 nan 8.360 nan 0.000 0.453 350 W N 1.871 123.049 121.300 -0.205 0.000 2.335 350 W HA -0.200 4.460 4.660 -0.001 0.000 0.311 350 W C 2.152 178.601 176.519 -0.118 0.000 1.213 350 W CA 1.402 58.617 57.345 -0.217 0.000 1.274 350 W CB -0.319 28.615 29.460 -0.876 0.000 1.148 350 W HN 0.191 nan 8.180 nan 0.000 0.498 351 D N -0.541 119.946 120.400 0.144 0.000 2.097 351 D HA -0.182 4.457 4.640 -0.001 0.000 0.195 351 D C 2.269 178.635 176.300 0.110 0.000 0.989 351 D CA 1.575 55.672 54.000 0.161 0.000 0.827 351 D CB -1.084 39.819 40.800 0.172 0.000 0.966 351 D HN 0.033 nan 8.370 nan 0.000 0.456 352 V N 0.993 120.963 119.914 0.094 0.000 2.490 352 V HA -0.211 3.909 4.120 -0.001 0.000 0.250 352 V C 2.213 178.327 176.094 0.034 0.000 1.061 352 V CA 1.578 63.920 62.300 0.070 0.000 1.064 352 V CB -0.079 31.839 31.823 0.159 0.000 0.670 352 V HN 0.152 nan 8.190 nan 0.000 0.461 353 Q N -0.385 119.468 119.800 0.087 0.000 2.062 353 Q HA -0.159 4.180 4.340 -0.001 0.000 0.196 353 Q C 2.333 178.505 176.000 0.287 0.000 0.967 353 Q CA 1.771 57.715 55.803 0.234 0.000 0.832 353 Q CB -0.404 28.438 28.738 0.172 0.000 0.899 353 Q HN 0.629 nan 8.270 nan 0.000 0.442 354 R N 0.461 121.097 120.500 0.226 0.000 2.062 354 R HA -0.091 4.248 4.340 -0.001 0.000 0.231 354 R C 2.247 178.699 176.300 0.254 0.000 1.136 354 R CA 1.297 57.574 56.100 0.294 0.000 0.948 354 R CB -0.110 30.323 30.300 0.222 0.000 0.845 354 R HN 0.038 nan 8.270 nan 0.000 0.430 355 V N 2.036 122.017 119.914 0.111 0.000 2.343 355 V HA -0.240 3.880 4.120 -0.001 0.000 0.247 355 V C 2.005 178.031 176.094 -0.113 0.000 1.051 355 V CA 1.894 64.211 62.300 0.028 0.000 1.036 355 V CB -0.602 31.229 31.823 0.013 0.000 0.654 355 V HN 0.446 nan 8.190 nan 0.000 0.451 356 N N -0.741 117.777 118.700 -0.302 0.000 2.142 356 N HA -0.166 4.574 4.740 -0.001 0.000 0.186 356 N C 1.846 177.020 175.510 -0.560 0.000 1.023 356 N CA 1.630 54.288 53.050 -0.652 0.000 0.852 356 N CB -0.325 37.185 38.487 -1.629 0.000 0.998 356 N HN 0.519 nan 8.380 nan 0.000 0.424 357 Y N 1.915 121.987 120.300 -0.380 0.000 2.242 357 Y HA -0.075 4.475 4.550 -0.001 0.000 0.291 357 Y C 2.364 177.747 175.900 -0.862 0.000 1.137 357 Y CA 1.014 58.779 58.100 -0.558 0.000 1.181 357 Y CB -0.096 38.118 38.460 -0.410 0.000 0.989 357 Y HN 0.135 nan 8.280 nan 0.000 0.527 358 E N -0.266 119.785 120.200 -0.249 0.000 2.110 358 E HA -0.227 4.123 4.350 -0.001 0.000 0.193 358 E C 2.233 178.781 176.600 -0.087 0.000 0.988 358 E CA 1.016 57.358 56.400 -0.098 0.000 0.804 358 E CB -0.118 29.651 29.700 0.115 0.000 0.745 358 E HN 0.450 nan 8.360 nan 0.000 0.458 359 R N 0.352 120.777 120.500 -0.125 0.000 2.081 359 R HA -0.120 4.220 4.340 -0.001 0.000 0.235 359 R C 2.484 178.755 176.300 -0.048 0.000 1.131 359 R CA 0.989 57.046 56.100 -0.072 0.000 0.960 359 R CB -0.336 29.899 30.300 -0.108 0.000 0.856 359 R HN 0.182 nan 8.270 nan 0.000 0.436 360 L N -0.337 120.786 121.223 -0.166 0.000 2.046 360 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 360 L C 2.225 179.148 176.870 0.089 0.000 1.077 360 L CA 1.132 55.909 54.840 -0.104 0.000 0.747 360 L CB -0.400 41.494 42.059 -0.275 0.000 0.896 360 L HN 0.087 nan 8.230 nan 0.000 0.432 361 F N 0.257 120.222 119.950 0.025 0.000 2.102 361 F HA -0.207 4.319 4.527 -0.001 0.000 0.298 361 F C 2.647 178.459 175.800 0.020 0.000 1.105 361 F CA 1.307 59.312 58.000 0.009 0.000 1.239 361 F CB -0.975 37.987 39.000 -0.064 0.000 0.991 361 F HN 0.203 nan 8.300 nan 0.000 0.474 362 E N -0.644 119.691 120.200 0.224 0.000 2.058 362 E HA -0.306 4.043 4.350 -0.001 0.000 0.194 362 E C 2.235 178.925 176.600 0.151 0.000 0.997 362 E CA 1.629 58.120 56.400 0.152 0.000 0.801 362 E CB -0.281 29.490 29.700 0.119 0.000 0.746 362 E HN 0.508 nan 8.360 nan 0.000 0.450 363 H N 0.272 119.392 119.070 0.083 0.000 2.293 363 H HA -0.066 4.489 4.556 -0.001 0.000 0.300 363 H C 2.079 177.493 175.328 0.144 0.000 1.082 363 H CA 2.234 58.340 56.048 0.098 0.000 1.308 363 H CB -0.218 29.598 29.762 0.090 0.000 1.375 363 H HN 0.163 nan 8.280 nan 0.000 0.495 364 I N 0.465 121.127 120.570 0.153 0.000 2.163 364 I HA -0.305 3.865 4.170 -0.001 0.000 0.243 364 I C 1.718 177.877 176.117 0.070 0.000 1.085 364 I CA 1.424 62.788 61.300 0.107 0.000 1.347 364 I CB -0.323 37.699 38.000 0.036 0.000 1.044 364 I HN 0.385 nan 8.210 nan 0.000 0.408 365 N N 0.162 118.891 118.700 0.048 0.000 2.381 365 N HA -0.095 4.645 4.740 -0.001 0.000 0.182 365 N C 1.761 177.255 175.510 -0.026 0.000 1.025 365 N CA 0.966 54.014 53.050 -0.003 0.000 0.888 365 N CB -0.186 38.290 38.487 -0.020 0.000 0.965 365 N HN 0.180 nan 8.380 nan 0.000 0.438 366 S N 0.237 115.914 115.700 -0.038 0.000 2.548 366 S HA 0.116 4.585 4.470 -0.001 0.000 0.215 366 S C 0.276 174.813 174.600 -0.105 0.000 0.976 366 S CA 0.110 58.277 58.200 -0.056 0.000 0.908 366 S CB 0.273 63.453 63.200 -0.033 0.000 0.781 366 S HN 0.204 nan 8.310 nan 0.000 0.519 367 Q N 1.013 120.711 119.800 -0.169 0.000 2.456 367 Q HA 0.461 4.800 4.340 -0.001 0.000 0.234 367 Q C 0.896 176.723 176.000 -0.287 0.000 1.061 367 Q CA -0.274 55.362 55.803 -0.279 0.000 0.896 367 Q CB 0.953 29.360 28.738 -0.551 0.000 1.233 367 Q HN 0.296 nan 8.270 nan 0.000 0.506 368 A N 2.654 125.386 122.820 -0.148 0.000 1.958 368 A HA -0.286 4.034 4.320 -0.001 0.000 0.221 368 A C 1.632 179.150 177.584 -0.110 0.000 1.178 368 A CA 2.305 54.286 52.037 -0.093 0.000 0.642 368 A CB -0.773 18.204 19.000 -0.038 0.000 0.816 368 A HN 0.895 nan 8.150 nan 0.000 0.453 369 H N -3.461 115.518 119.070 -0.151 0.000 2.489 369 H HA -0.029 4.526 4.556 -0.001 0.000 0.293 369 H C 1.313 176.572 175.328 -0.114 0.000 1.066 369 H CA 1.511 57.461 56.048 -0.163 0.000 1.305 369 H CB -0.548 29.066 29.762 -0.248 0.000 1.386 369 H HN 0.428 nan 8.280 nan 0.000 0.551 370 F N 0.816 120.501 119.950 -0.441 0.000 2.416 370 F HA 0.068 4.595 4.527 -0.001 0.000 0.296 370 F C 0.700 176.432 175.800 -0.113 0.000 1.099 370 F CA 0.396 58.258 58.000 -0.231 0.000 1.427 370 F CB -0.236 38.599 39.000 -0.275 0.000 1.079 370 F HN 0.153 nan 8.300 nan 0.000 0.536 371 N N 0.777 119.517 118.700 0.066 0.000 2.725 371 N HA -0.166 4.573 4.740 -0.001 0.000 0.251 371 N C -1.037 174.454 175.510 -0.032 0.000 1.031 371 N CA 0.444 53.514 53.050 0.034 0.000 0.720 371 N CB -1.447 37.105 38.487 0.109 0.000 0.930 371 N HN 0.030 nan 8.380 nan 0.000 0.543 372 V N 0.656 120.547 119.914 -0.039 0.000 2.789 372 V HA 0.408 4.528 4.120 -0.001 0.000 0.311 372 V C 0.029 176.047 176.094 -0.127 0.000 1.073 372 V CA -0.666 61.565 62.300 -0.116 0.000 0.921 372 V CB 2.508 34.289 31.823 -0.071 0.000 1.009 372 V HN 0.201 nan 8.190 nan 0.000 0.426 373 Q N 3.217 122.888 119.800 -0.216 0.000 2.347 373 Q HA 0.751 5.091 4.340 -0.001 0.000 0.265 373 Q C -0.811 174.938 176.000 -0.418 0.000 1.024 373 Q CA -0.146 55.505 55.803 -0.255 0.000 0.731 373 Q CB 1.576 30.170 28.738 -0.239 0.000 1.245 373 Q HN 0.996 nan 8.270 nan 0.000 0.472 374 A N 4.289 126.844 122.820 -0.442 0.000 2.337 374 A HA 0.894 5.214 4.320 -0.001 0.000 0.329 374 A C -1.042 175.845 177.584 -1.161 0.000 1.146 374 A CA -0.419 51.184 52.037 -0.724 0.000 0.800 374 A CB 1.061 19.823 19.000 -0.396 0.000 1.220 374 A HN 0.796 nan 8.150 nan 0.000 0.472 375 Q N 0.970 120.001 119.800 -1.282 0.000 2.633 375 Q HA 0.460 4.799 4.340 -0.001 0.000 0.289 375 Q C -1.798 173.826 176.000 -0.627 0.000 0.940 375 Q CA -0.744 54.358 55.803 -1.169 0.000 0.785 375 Q CB 0.536 28.959 28.738 -0.525 0.000 1.467 375 Q HN 0.381 nan 8.270 nan 0.000 0.401 376 F N 0.445 120.337 119.950 -0.096 0.000 2.471 376 F HA 0.668 5.194 4.527 -0.001 0.000 0.353 376 F C 1.148 177.000 175.800 0.087 0.000 1.113 376 F CA 1.448 59.504 58.000 0.093 0.000 1.262 376 F CB 1.274 40.371 39.000 0.163 0.000 1.146 376 F HN 0.750 nan 8.300 nan 0.000 0.578 377 G N 0.321 109.296 108.800 0.291 0.000 2.727 377 G HA2 0.603 4.563 3.960 -0.001 0.000 0.289 377 G HA3 0.603 4.563 3.960 -0.001 0.000 0.289 377 G C -1.096 173.783 174.900 -0.035 0.000 1.418 377 G CA -0.665 44.531 45.100 0.160 0.000 0.818 377 G HN 0.703 nan 8.290 nan 0.000 0.486 378 T N -1.840 112.612 114.554 -0.170 0.000 2.937 378 T HA 0.471 4.821 4.350 -0.001 0.000 0.283 378 T C 1.293 175.818 174.700 -0.291 0.000 1.012 378 T CA -0.467 61.502 62.100 -0.218 0.000 0.997 378 T CB 1.525 70.282 68.868 -0.184 0.000 1.136 378 T HN 0.567 nan 8.240 nan 0.000 0.551 379 L N 0.475 121.528 121.223 -0.284 0.000 2.046 379 L HA 0.030 4.369 4.340 -0.001 0.000 0.208 379 L C 2.724 179.520 176.870 -0.123 0.000 1.077 379 L CA 1.966 56.661 54.840 -0.242 0.000 0.747 379 L CB -1.066 40.888 42.059 -0.176 0.000 0.896 379 L HN 0.888 nan 8.230 nan 0.000 0.432 380 Q N -0.201 119.557 119.800 -0.069 0.000 2.167 380 Q HA -0.197 4.143 4.340 -0.001 0.000 0.202 380 Q C 2.064 177.981 176.000 -0.138 0.000 0.970 380 Q CA 1.723 57.527 55.803 0.003 0.000 0.855 380 Q CB -0.146 28.573 28.738 -0.030 0.000 0.911 380 Q HN 0.621 nan 8.270 nan 0.000 0.438 381 E N -1.142 118.881 120.200 -0.295 0.000 2.077 381 E HA -0.217 4.133 4.350 -0.001 0.000 0.193 381 E C 1.602 177.740 176.600 -0.770 0.000 0.989 381 E CA 1.159 57.258 56.400 -0.502 0.000 0.800 381 E CB -0.256 29.041 29.700 -0.671 0.000 0.746 381 E HN 0.478 nan 8.360 nan 0.000 0.452 382 Y N 0.566 120.316 120.300 -0.916 0.000 2.114 382 Y HA -0.265 4.285 4.550 -0.001 0.000 0.284 382 Y C 1.873 177.488 175.900 -0.475 0.000 1.143 382 Y CA 1.605 59.209 58.100 -0.827 0.000 1.135 382 Y CB -0.545 37.453 38.460 -0.769 0.000 0.980 382 Y HN -0.058 nan 8.280 nan 0.000 0.499 383 F N 1.017 120.648 119.950 -0.531 0.000 2.134 383 F HA -0.196 4.331 4.527 -0.001 0.000 0.299 383 F C 2.278 177.828 175.800 -0.416 0.000 1.097 383 F CA 1.778 59.454 58.000 -0.540 0.000 1.264 383 F CB -0.890 37.995 39.000 -0.193 0.000 1.001 383 F HN 0.107 nan 8.300 nan 0.000 0.479 384 D N 0.059 120.402 120.400 -0.095 0.000 2.123 384 D HA -0.167 4.472 4.640 -0.001 0.000 0.196 384 D C 2.353 178.583 176.300 -0.117 0.000 0.992 384 D CA 1.505 55.463 54.000 -0.070 0.000 0.833 384 D CB -0.597 40.153 40.800 -0.085 0.000 0.954 384 D HN 0.259 nan 8.370 nan 0.000 0.455 385 A N 0.498 123.201 122.820 -0.196 0.000 1.930 385 A HA -0.092 4.228 4.320 -0.001 0.000 0.217 385 A C 2.527 180.007 177.584 -0.172 0.000 1.175 385 A CA 0.892 52.865 52.037 -0.107 0.000 0.627 385 A CB -0.567 18.480 19.000 0.079 0.000 0.815 385 A HN 0.139 nan 8.150 nan 0.000 0.443 386 V N -0.339 119.339 119.914 -0.393 0.000 2.307 386 V HA -0.219 3.901 4.120 -0.001 0.000 0.245 386 V C 2.405 178.323 176.094 -0.293 0.000 1.045 386 V CA 1.993 64.058 62.300 -0.392 0.000 1.024 386 V CB -0.976 30.436 31.823 -0.686 0.000 0.651 386 V HN 0.641 nan 8.190 nan 0.000 0.449 387 H N -0.135 118.818 119.070 -0.195 0.000 2.457 387 H HA -0.093 4.463 4.556 -0.001 0.000 0.294 387 H C 2.410 177.706 175.328 -0.054 0.000 1.064 387 H CA 1.383 57.346 56.048 -0.141 0.000 1.330 387 H CB -0.054 29.575 29.762 -0.222 0.000 1.395 387 H HN 0.557 nan 8.280 nan 0.000 0.541 388 Q N 0.166 119.987 119.800 0.035 0.000 2.046 388 Q HA -0.057 4.283 4.340 -0.001 0.000 0.200 388 Q C 2.594 178.617 176.000 0.038 0.000 0.975 388 Q CA 1.281 57.101 55.803 0.029 0.000 0.836 388 Q CB -0.025 28.719 28.738 0.009 0.000 0.896 388 Q HN 0.401 nan 8.270 nan 0.000 0.428 389 A N 1.230 124.068 122.820 0.031 0.000 1.902 389 A HA -0.281 4.038 4.320 -0.001 0.000 0.217 389 A C 1.961 179.586 177.584 0.069 0.000 1.181 389 A CA 1.737 53.806 52.037 0.052 0.000 0.623 389 A CB -0.617 18.417 19.000 0.057 0.000 0.818 389 A HN 0.490 nan 8.150 nan 0.000 0.443 390 E N -0.209 120.054 120.200 0.104 0.000 2.051 390 E HA -0.233 4.117 4.350 -0.001 0.000 0.192 390 E C 2.209 178.861 176.600 0.087 0.000 0.991 390 E CA 1.218 57.694 56.400 0.128 0.000 0.799 390 E CB -0.190 29.702 29.700 0.321 0.000 0.748 390 E HN 0.585 nan 8.360 nan 0.000 0.449 391 R N -0.190 120.362 120.500 0.086 0.000 2.152 391 R HA -0.046 4.294 4.340 -0.001 0.000 0.232 391 R C 2.085 178.409 176.300 0.039 0.000 1.117 391 R CA 0.866 57.000 56.100 0.056 0.000 0.981 391 R CB -0.172 30.154 30.300 0.043 0.000 0.870 391 R HN 0.170 nan 8.270 nan 0.000 0.451 392 A N 0.156 123.001 122.820 0.040 0.000 2.252 392 A HA 0.175 4.494 4.320 -0.001 0.000 0.207 392 A C 1.359 178.961 177.584 0.029 0.000 1.194 392 A CA 0.762 52.820 52.037 0.034 0.000 0.809 392 A CB -0.270 18.755 19.000 0.041 0.000 0.814 392 A HN 0.453 nan 8.150 nan 0.000 0.482 393 G N -0.825 107.990 108.800 0.025 0.000 2.148 393 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.254 393 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.254 393 G C 0.833 175.734 174.900 0.002 0.000 0.981 393 G CA 0.715 45.821 45.100 0.010 0.000 0.670 393 G HN 0.677 nan 8.290 nan 0.000 0.528 394 Q N -0.202 119.607 119.800 0.016 0.000 2.436 394 Q HA 0.494 4.833 4.340 -0.001 0.000 0.209 394 Q C 0.969 176.954 176.000 -0.025 0.000 0.965 394 Q CA 1.562 57.379 55.803 0.022 0.000 0.910 394 Q CB -0.061 28.723 28.738 0.077 0.000 0.980 394 Q HN 1.559 nan 8.270 nan 0.000 0.491 395 A N 0.670 123.437 122.820 -0.089 0.000 2.597 395 A HA 0.466 4.785 4.320 -0.001 0.000 0.292 395 A C -1.753 175.618 177.584 -0.355 0.000 1.057 395 A CA -0.895 50.999 52.037 -0.239 0.000 0.674 395 A CB 1.073 19.872 19.000 -0.336 0.000 1.278 395 A HN 0.339 nan 8.150 nan 0.000 0.416 396 E N 0.530 120.475 120.200 -0.424 0.000 2.293 396 E HA 0.751 5.101 4.350 -0.001 0.000 0.270 396 E C -1.701 174.661 176.600 -0.396 0.000 0.879 396 E CA -0.621 55.599 56.400 -0.299 0.000 0.756 396 E CB 1.789 31.435 29.700 -0.090 0.000 1.208 396 E HN 0.342 nan 8.360 nan 0.000 0.428 397 F N 1.874 121.927 119.950 0.171 0.000 2.458 397 F HA 0.443 4.970 4.527 -0.000 0.000 0.330 397 F C -1.838 174.056 175.800 0.155 0.000 1.082 397 F CA -2.229 55.888 58.000 0.196 0.000 0.995 397 F CB 1.145 40.332 39.000 0.311 0.000 1.170 397 F HN 0.354 nan 8.300 nan 0.000 0.478 398 P HA 0.207 nan 4.420 nan 0.000 0.276 398 P C -0.717 176.720 177.300 0.229 0.000 1.252 398 P CA -0.401 62.824 63.100 0.207 0.000 0.802 398 P CB 1.088 32.876 31.700 0.148 0.000 1.035 399 T N -0.897 113.745 114.554 0.146 0.000 2.907 399 T HA 0.688 5.038 4.350 -0.001 0.000 0.284 399 T C -0.297 174.436 174.700 0.056 0.000 1.004 399 T CA -0.776 61.405 62.100 0.135 0.000 1.063 399 T CB 1.032 69.957 68.868 0.095 0.000 0.992 399 T HN 0.472 nan 8.240 nan 0.000 0.483 400 L N 1.637 122.895 121.223 0.058 0.000 2.466 400 L HA 0.748 5.088 4.340 -0.001 0.000 0.258 400 L C -0.843 176.028 176.870 0.003 0.000 0.973 400 L CA -0.467 54.303 54.840 -0.117 0.000 0.826 400 L CB 2.233 43.991 42.059 -0.502 0.000 1.372 400 L HN 1.116 nan 8.230 nan 0.000 0.409 401 S N 2.136 117.792 115.700 -0.073 0.000 2.595 401 S HA 1.051 5.520 4.470 -0.001 0.000 0.281 401 S C -0.404 174.134 174.600 -0.105 0.000 1.117 401 S CA -0.020 58.192 58.200 0.020 0.000 0.873 401 S CB 2.012 65.179 63.200 -0.054 0.000 1.108 401 S HN 1.710 nan 8.310 nan 0.000 0.477 402 G N 1.168 109.953 108.800 -0.025 0.000 2.343 402 G HA2 0.336 4.296 3.960 -0.001 0.000 0.562 402 G HA3 0.336 4.296 3.960 -0.001 0.000 0.562 402 G C -1.783 173.007 174.900 -0.183 0.000 1.269 402 G CA -0.020 44.964 45.100 -0.193 0.000 1.011 402 G HN 1.287 nan 8.290 nan 0.000 0.498 403 D N -1.844 118.319 120.400 -0.396 0.000 2.687 403 D HA 0.755 5.395 4.640 -0.001 0.000 0.264 403 D C -0.610 175.188 176.300 -0.837 0.000 1.091 403 D CA -1.062 52.721 54.000 -0.360 0.000 1.123 403 D CB 1.023 41.785 40.800 -0.064 0.000 1.407 403 D HN 0.378 nan 8.370 nan 0.000 0.591 404 F N -0.473 119.365 119.950 -0.187 0.000 2.679 404 F HA 0.400 4.926 4.527 -0.001 0.000 0.354 404 F C -0.938 174.737 175.800 -0.208 0.000 1.423 404 F CA -0.633 57.264 58.000 -0.171 0.000 1.141 404 F CB 0.177 39.098 39.000 -0.131 0.000 1.168 404 F HN -0.006 nan 8.300 nan 0.000 0.530 405 F N -0.580 119.560 119.950 0.317 0.000 2.546 405 F HA 0.566 5.092 4.527 -0.001 0.000 0.320 405 F C 0.547 176.610 175.800 0.437 0.000 1.076 405 F CA -1.395 56.855 58.000 0.417 0.000 0.928 405 F CB 1.756 40.984 39.000 0.381 0.000 1.189 405 F HN -0.274 nan 8.300 nan 0.000 0.465 406 T N 2.143 117.082 114.554 0.641 0.000 2.799 406 T HA 0.181 4.530 4.350 -0.001 0.000 0.286 406 T C -0.964 174.199 174.700 0.771 0.000 0.973 406 T CA -0.251 62.296 62.100 0.744 0.000 1.035 406 T CB 0.226 69.401 68.868 0.513 0.000 0.932 406 T HN 0.371 nan 8.240 nan 0.000 0.469 407 Y N 2.974 123.593 120.300 0.532 0.000 2.511 407 Y HA 0.412 4.962 4.550 -0.001 0.000 0.332 407 Y C -0.134 175.779 175.900 0.023 0.000 1.177 407 Y CA -0.959 57.272 58.100 0.218 0.000 1.422 407 Y CB 0.138 38.616 38.460 0.030 0.000 1.271 407 Y HN 0.689 nan 8.280 nan 0.000 0.550 408 A N 5.220 127.503 122.820 -0.894 0.000 2.398 408 A HA 0.353 4.673 4.320 -0.001 0.000 0.301 408 A C -0.157 176.827 177.584 -1.000 0.000 1.041 408 A CA -0.289 51.164 52.037 -0.974 0.000 0.711 408 A CB 0.704 18.903 19.000 -1.335 0.000 1.240 408 A HN 0.801 nan 8.150 nan 0.000 0.420 409 D N 1.570 121.566 120.400 -0.674 0.000 2.346 409 D HA 0.062 4.701 4.640 -0.001 0.000 0.206 409 D C 0.514 176.836 176.300 0.036 0.000 1.001 409 D CA 0.461 54.284 54.000 -0.295 0.000 0.871 409 D CB 0.172 40.917 40.800 -0.091 0.000 0.943 409 D HN 0.732 nan 8.370 nan 0.000 0.518 410 R N -1.175 119.285 120.500 -0.067 0.000 2.687 410 R HA 0.320 4.659 4.340 -0.001 0.000 0.265 410 R C 0.277 176.487 176.300 -0.150 0.000 1.048 410 R CA -0.065 55.844 56.100 -0.318 0.000 0.884 410 R CB 0.554 30.747 30.300 -0.177 0.000 1.258 410 R HN -0.037 nan 8.270 nan 0.000 0.469 411 S N 1.176 116.746 115.700 -0.217 0.000 4.135 411 S HA -0.390 4.080 4.470 -0.001 0.000 0.538 411 S C 0.735 175.445 174.600 0.184 0.000 1.522 411 S CA 1.823 60.051 58.200 0.047 0.000 3.869 411 S CB -1.559 61.646 63.200 0.008 0.000 1.628 411 S HN 1.053 nan 8.310 nan 0.000 0.492 412 D N 1.730 122.212 120.400 0.137 0.000 2.424 412 D HA 0.174 4.814 4.640 -0.001 0.000 0.220 412 D C -0.256 176.158 176.300 0.191 0.000 1.150 412 D CA -0.309 53.832 54.000 0.235 0.000 0.831 412 D CB -1.564 39.353 40.800 0.196 0.000 0.981 412 D HN 0.664 nan 8.370 nan 0.000 0.500 413 N N 0.954 119.671 118.700 0.029 0.000 2.605 413 N HA 0.060 4.799 4.740 -0.001 0.000 0.258 413 N C -0.958 174.562 175.510 0.016 0.000 1.156 413 N CA -0.313 52.749 53.050 0.020 0.000 1.008 413 N CB 0.180 38.658 38.487 -0.015 0.000 1.354 413 N HN 0.121 nan 8.380 nan 0.000 0.509 414 Y N 0.314 120.703 120.300 0.148 0.000 2.308 414 Y HA 0.133 4.682 4.550 -0.001 0.000 0.329 414 Y C 0.073 176.176 175.900 0.338 0.000 1.111 414 Y CA -0.661 57.591 58.100 0.253 0.000 1.179 414 Y CB 0.622 39.181 38.460 0.166 0.000 1.201 414 Y HN 0.416 nan 8.280 nan 0.000 0.483 415 W N 2.333 123.760 121.300 0.212 0.000 1.809 415 W HA 0.242 4.901 4.660 -0.001 0.000 0.399 415 W C 0.772 177.323 176.519 0.053 0.000 0.636 415 W CA -0.626 56.876 57.345 0.260 0.000 2.178 415 W CB -0.454 29.286 29.460 0.467 0.000 1.632 415 W HN 0.542 nan 8.180 nan 0.000 0.470 416 S N -2.091 113.628 115.700 0.031 0.000 2.540 416 S HA 0.142 4.611 4.470 -0.001 0.000 0.218 416 S C 1.896 176.185 174.600 -0.519 0.000 0.977 416 S CA 0.293 58.107 58.200 -0.643 0.000 0.918 416 S CB 0.246 63.395 63.200 -0.086 0.000 0.806 416 S HN 0.336 nan 8.310 nan 0.000 0.496 417 G N 1.827 110.545 108.800 -0.136 0.000 2.422 417 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.218 417 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.218 417 G C 1.204 176.080 174.900 -0.040 0.000 1.140 417 G CA 0.801 45.841 45.100 -0.100 0.000 0.775 417 G HN 0.793 nan 8.290 nan 0.000 0.545 418 Y N -0.672 119.612 120.300 -0.028 0.000 2.578 418 Y HA 0.198 4.748 4.550 -0.001 0.000 0.297 418 Y C 1.707 177.754 175.900 0.245 0.000 1.176 418 Y CA -0.458 57.713 58.100 0.118 0.000 1.315 418 Y CB -0.270 38.341 38.460 0.252 0.000 1.031 418 Y HN 0.158 nan 8.280 nan 0.000 0.524 419 Y N 0.494 120.554 120.300 -0.400 0.000 2.571 419 Y HA 0.012 4.561 4.550 -0.001 0.000 0.294 419 Y C 1.611 177.463 175.900 -0.080 0.000 1.141 419 Y CA 0.511 58.423 58.100 -0.313 0.000 1.308 419 Y CB -0.644 37.675 38.460 -0.235 0.000 1.002 419 Y HN 0.298 nan 8.280 nan 0.000 0.551 420 T N -2.686 111.944 114.554 0.126 0.000 2.966 420 T HA 0.078 4.428 4.350 -0.001 0.000 0.254 420 T C 0.685 175.483 174.700 0.164 0.000 0.961 420 T CA -0.092 62.086 62.100 0.131 0.000 0.915 420 T CB 0.064 68.980 68.868 0.080 0.000 1.186 420 T HN -0.073 nan 8.240 nan 0.000 0.505 421 S N 2.530 118.325 115.700 0.159 0.000 2.558 421 S HA 0.187 4.656 4.470 -0.001 0.000 0.293 421 S C 0.380 175.127 174.600 0.245 0.000 1.292 421 S CA 0.024 58.330 58.200 0.177 0.000 1.063 421 S CB 0.079 63.368 63.200 0.149 0.000 0.831 421 S HN 0.397 nan 8.310 nan 0.000 0.499 422 R N 1.396 122.056 120.500 0.268 0.000 3.146 422 R HA -0.125 4.214 4.340 -0.001 0.000 0.250 422 R C -1.901 174.653 176.300 0.424 0.000 0.912 422 R CA 0.649 56.984 56.100 0.391 0.000 0.633 422 R CB -1.623 28.950 30.300 0.455 0.000 1.180 422 R HN 0.510 nan 8.270 nan 0.000 0.464 423 P HA -0.236 nan 4.420 nan 0.000 0.223 423 P C 1.096 178.595 177.300 0.331 0.000 1.151 423 P CA 1.027 64.346 63.100 0.364 0.000 0.787 423 P CB -0.011 31.946 31.700 0.428 0.000 0.788 424 Y N 1.713 122.093 120.300 0.133 0.000 2.128 424 Y HA -0.243 4.306 4.550 -0.001 0.000 0.284 424 Y C 2.663 178.550 175.900 -0.022 0.000 1.154 424 Y CA 1.919 60.012 58.100 -0.011 0.000 1.149 424 Y CB -0.933 37.370 38.460 -0.261 0.000 0.976 424 Y HN 0.068 nan 8.280 nan 0.000 0.505 425 H N -0.387 118.909 119.070 0.376 0.000 2.462 425 H HA -0.036 4.520 4.556 -0.001 0.000 0.292 425 H C 2.031 177.494 175.328 0.224 0.000 1.049 425 H CA 1.260 57.449 56.048 0.235 0.000 1.334 425 H CB -0.029 29.956 29.762 0.371 0.000 1.404 425 H HN 0.404 nan 8.280 nan 0.000 0.544 426 K N 0.717 121.342 120.400 0.376 0.000 2.057 426 K HA -0.153 4.166 4.320 -0.001 0.000 0.207 426 K C 2.433 179.103 176.600 0.116 0.000 1.049 426 K CA 1.086 57.540 56.287 0.278 0.000 0.931 426 K CB 0.103 32.747 32.500 0.239 0.000 0.714 426 K HN 0.004 nan 8.250 nan 0.000 0.440 427 R N 1.421 121.955 120.500 0.057 0.000 2.073 427 R HA 0.017 4.356 4.340 -0.001 0.000 0.229 427 R C 2.061 178.165 176.300 -0.326 0.000 1.120 427 R CA 1.339 57.414 56.100 -0.042 0.000 0.967 427 R CB -0.448 29.897 30.300 0.076 0.000 0.862 427 R HN 0.128 nan 8.270 nan 0.000 0.436 428 M N 0.394 119.683 119.600 -0.519 0.000 2.202 428 M HA -0.202 4.278 4.480 -0.001 0.000 0.262 428 M C 1.384 177.386 176.300 -0.497 0.000 1.063 428 M CA 2.406 57.161 55.300 -0.909 0.000 1.097 428 M CB -0.299 31.914 32.600 -0.645 0.000 1.382 428 M HN 0.297 nan 8.290 nan 0.000 0.413 429 D N -0.304 119.981 120.400 -0.192 0.000 2.104 429 D HA -0.208 4.432 4.640 -0.001 0.000 0.194 429 D C 1.916 178.155 176.300 -0.101 0.000 0.994 429 D CA 1.417 55.400 54.000 -0.027 0.000 0.830 429 D CB 0.129 41.054 40.800 0.209 0.000 0.959 429 D HN 0.240 nan 8.370 nan 0.000 0.452 430 R N 0.076 120.499 120.500 -0.128 0.000 2.090 430 R HA -0.015 4.325 4.340 -0.001 0.000 0.228 430 R C 2.448 178.636 176.300 -0.186 0.000 1.110 430 R CA 0.498 56.515 56.100 -0.139 0.000 0.973 430 R CB -0.924 29.311 30.300 -0.108 0.000 0.869 430 R HN 0.258 nan 8.270 nan 0.000 0.440 431 V N 1.637 121.379 119.914 -0.287 0.000 2.261 431 V HA -0.219 3.901 4.120 -0.001 0.000 0.246 431 V C 2.398 178.421 176.094 -0.117 0.000 1.047 431 V CA 1.521 63.662 62.300 -0.264 0.000 1.015 431 V CB -0.590 30.875 31.823 -0.597 0.000 0.642 431 V HN 0.132 nan 8.190 nan 0.000 0.446 432 L N -0.360 120.747 121.223 -0.193 0.000 2.083 432 L HA -0.166 4.174 4.340 -0.001 0.000 0.209 432 L C 2.342 179.170 176.870 -0.070 0.000 1.083 432 L CA 2.083 56.875 54.840 -0.081 0.000 0.752 432 L CB -0.685 41.296 42.059 -0.130 0.000 0.899 432 L HN 0.342 nan 8.230 nan 0.000 0.433 433 M N -1.373 118.162 119.600 -0.110 0.000 2.088 433 M HA -0.337 4.143 4.480 -0.001 0.000 0.256 433 M C 2.445 178.653 176.300 -0.154 0.000 1.071 433 M CA 2.420 57.636 55.300 -0.140 0.000 1.097 433 M CB -0.671 31.815 32.600 -0.190 0.000 1.315 433 M HN 0.532 nan 8.290 nan 0.000 0.406 434 H N -0.919 118.005 119.070 -0.243 0.000 2.357 434 H HA -0.180 4.376 4.556 -0.001 0.000 0.301 434 H C 1.751 176.902 175.328 -0.294 0.000 1.082 434 H CA 2.208 58.077 56.048 -0.299 0.000 1.342 434 H CB -0.329 29.193 29.762 -0.401 0.000 1.389 434 H HN 0.491 nan 8.280 nan 0.000 0.511 435 Y N 0.494 120.664 120.300 -0.216 0.000 2.181 435 Y HA -0.189 4.360 4.550 -0.001 0.000 0.288 435 Y C 2.995 178.775 175.900 -0.199 0.000 1.146 435 Y CA 1.212 59.188 58.100 -0.207 0.000 1.164 435 Y CB -0.587 37.811 38.460 -0.104 0.000 0.982 435 Y HN 0.011 nan 8.280 nan 0.000 0.515 436 V N 0.216 120.097 119.914 -0.055 0.000 2.261 436 V HA -0.330 3.789 4.120 -0.001 0.000 0.246 436 V C 2.539 178.563 176.094 -0.116 0.000 1.047 436 V CA 2.266 64.519 62.300 -0.077 0.000 1.015 436 V CB -0.613 31.156 31.823 -0.090 0.000 0.642 436 V HN 0.332 nan 8.190 nan 0.000 0.446 437 R N 0.315 120.710 120.500 -0.174 0.000 2.083 437 R HA -0.195 4.145 4.340 -0.001 0.000 0.237 437 R C 2.223 178.443 176.300 -0.132 0.000 1.137 437 R CA 1.939 57.944 56.100 -0.159 0.000 0.951 437 R CB -0.480 29.710 30.300 -0.184 0.000 0.851 437 R HN 0.475 nan 8.270 nan 0.000 0.434 438 A N 0.552 123.236 122.820 -0.227 0.000 1.930 438 A HA -0.028 4.292 4.320 -0.001 0.000 0.217 438 A C 2.335 179.909 177.584 -0.017 0.000 1.175 438 A CA 1.503 53.499 52.037 -0.069 0.000 0.627 438 A CB -0.612 18.298 19.000 -0.150 0.000 0.815 438 A HN 0.570 nan 8.150 nan 0.000 0.443 439 A N -0.003 122.803 122.820 -0.024 0.000 1.873 439 A HA -0.130 4.189 4.320 -0.001 0.000 0.215 439 A C 1.925 179.473 177.584 -0.059 0.000 1.186 439 A CA 1.464 53.487 52.037 -0.024 0.000 0.616 439 A CB -0.490 18.498 19.000 -0.020 0.000 0.823 439 A HN 0.607 nan 8.150 nan 0.000 0.442 440 E N -0.853 119.304 120.200 -0.072 0.000 2.077 440 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 440 E C 2.063 178.604 176.600 -0.098 0.000 0.989 440 E CA 1.371 57.717 56.400 -0.091 0.000 0.800 440 E CB -0.288 29.356 29.700 -0.093 0.000 0.746 440 E HN 0.740 nan 8.360 nan 0.000 0.452 441 M N 0.814 120.377 119.600 -0.061 0.000 2.077 441 M HA -0.144 4.336 4.480 -0.001 0.000 0.261 441 M C 2.205 178.503 176.300 -0.003 0.000 1.070 441 M CA 1.336 56.602 55.300 -0.058 0.000 1.125 441 M CB 0.028 32.683 32.600 0.092 0.000 1.339 441 M HN 0.070 nan 8.290 nan 0.000 0.409 442 L N 0.061 121.330 121.223 0.076 0.000 2.079 442 L HA -0.205 4.134 4.340 -0.001 0.000 0.210 442 L C 2.668 179.682 176.870 0.240 0.000 1.081 442 L CA 1.744 56.685 54.840 0.169 0.000 0.752 442 L CB -0.561 41.465 42.059 -0.055 0.000 0.896 442 L HN 0.522 nan 8.230 nan 0.000 0.433 443 S N -0.894 114.868 115.700 0.103 0.000 2.496 443 S HA 0.039 4.509 4.470 -0.001 0.000 0.224 443 S C 1.994 176.751 174.600 0.262 0.000 0.996 443 S CA 0.423 58.737 58.200 0.191 0.000 0.927 443 S CB -0.046 63.059 63.200 -0.159 0.000 0.774 443 S HN 0.300 nan 8.310 nan 0.000 0.524 444 A N 0.794 123.605 122.820 -0.016 0.000 2.067 444 A HA 0.095 4.414 4.320 -0.001 0.000 0.219 444 A C 1.673 179.143 177.584 -0.190 0.000 1.158 444 A CA 0.766 52.701 52.037 -0.170 0.000 0.661 444 A CB -1.164 17.594 19.000 -0.403 0.000 0.801 444 A HN 0.771 nan 8.150 nan 0.000 0.452 445 W N -0.695 120.624 121.300 0.032 0.000 2.421 445 W HA 0.012 4.672 4.660 -0.001 0.000 0.270 445 W C 0.949 177.257 176.519 -0.350 0.000 1.233 445 W CA 1.001 58.273 57.345 -0.121 0.000 1.226 445 W CB -0.169 29.207 29.460 -0.140 0.000 1.121 445 W HN 0.395 nan 8.180 nan 0.000 0.579 446 H N -2.613 116.549 119.070 0.153 0.000 2.855 446 H HA 0.406 4.962 4.556 -0.001 0.000 0.363 446 H C -0.408 174.861 175.328 -0.099 0.000 1.185 446 H CA -0.938 55.055 56.048 -0.092 0.000 1.174 446 H CB 1.568 31.056 29.762 -0.456 0.000 1.857 446 H HN -0.453 nan 8.280 nan 0.000 0.565 447 S N 0.440 116.122 115.700 -0.029 0.000 2.554 447 S HA 0.286 4.755 4.470 -0.001 0.000 0.278 447 S C -1.244 173.258 174.600 -0.164 0.000 1.242 447 S CA -0.601 57.599 58.200 -0.001 0.000 1.051 447 S CB 0.275 63.473 63.200 -0.003 0.000 0.986 447 S HN 0.314 nan 8.310 nan 0.000 0.502 448 W N 1.191 122.497 121.300 0.010 0.000 2.761 448 W HA 0.362 5.022 4.660 -0.001 0.000 0.340 448 W C -0.187 176.292 176.519 -0.066 0.000 1.072 448 W CA -0.940 56.385 57.345 -0.032 0.000 1.215 448 W CB 0.583 29.988 29.460 -0.092 0.000 1.420 448 W HN 0.550 nan 8.180 nan 0.000 0.519 449 D N 0.473 120.936 120.400 0.105 0.000 2.443 449 D HA 0.210 4.849 4.640 -0.001 0.000 0.239 449 D C 1.613 177.910 176.300 -0.004 0.000 1.136 449 D CA 1.061 55.092 54.000 0.052 0.000 0.879 449 D CB 1.304 42.159 40.800 0.092 0.000 1.195 449 D HN 0.537 nan 8.370 nan 0.000 0.443 450 G N 3.028 111.835 108.800 0.013 0.000 2.475 450 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.220 450 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.220 450 G C 1.364 176.241 174.900 -0.039 0.000 1.125 450 G CA 0.456 45.553 45.100 -0.005 0.000 0.755 450 G HN 0.488 nan 8.290 nan 0.000 0.565 451 M N 1.060 120.649 119.600 -0.019 0.000 2.346 451 M HA 0.017 4.497 4.480 -0.001 0.000 0.263 451 M C 2.815 179.041 176.300 -0.123 0.000 1.064 451 M CA 1.021 56.330 55.300 0.016 0.000 1.083 451 M CB -0.877 31.827 32.600 0.173 0.000 1.399 451 M HN 0.340 nan 8.290 nan 0.000 0.435 452 A N -0.360 122.156 122.820 -0.507 0.000 2.119 452 A HA -0.044 4.276 4.320 -0.001 0.000 0.216 452 A C 1.238 178.641 177.584 -0.301 0.000 1.152 452 A CA 0.450 51.986 52.037 -0.834 0.000 0.708 452 A CB -0.310 17.978 19.000 -1.187 0.000 0.805 452 A HN 0.580 nan 8.150 nan 0.000 0.460 453 R N -1.685 118.703 120.500 -0.186 0.000 3.641 453 R HA -0.172 4.167 4.340 -0.001 0.000 0.286 453 R C 0.647 176.857 176.300 -0.150 0.000 1.153 453 R CA 0.652 56.684 56.100 -0.114 0.000 0.775 453 R CB -2.052 28.212 30.300 -0.061 0.000 1.215 453 R HN 0.487 nan 8.270 nan 0.000 0.474 454 I N 0.413 120.852 120.570 -0.219 0.000 2.163 454 I HA -0.195 3.974 4.170 -0.001 0.000 0.240 454 I C 2.157 178.167 176.117 -0.178 0.000 1.081 454 I CA 1.663 62.788 61.300 -0.292 0.000 1.353 454 I CB -0.741 36.957 38.000 -0.503 0.000 1.054 454 I HN 0.217 nan 8.210 nan 0.000 0.407 455 E N 0.810 120.941 120.200 -0.116 0.000 2.097 455 E HA -0.265 4.084 4.350 -0.001 0.000 0.196 455 E C 2.108 178.668 176.600 -0.067 0.000 1.000 455 E CA 1.587 57.942 56.400 -0.075 0.000 0.804 455 E CB -0.249 29.429 29.700 -0.037 0.000 0.740 455 E HN 0.499 nan 8.360 nan 0.000 0.454 456 E N 0.284 120.447 120.200 -0.061 0.000 2.051 456 E HA -0.243 4.106 4.350 -0.001 0.000 0.192 456 E C 2.004 178.570 176.600 -0.057 0.000 0.991 456 E CA 1.029 57.402 56.400 -0.046 0.000 0.799 456 E CB 0.091 29.769 29.700 -0.036 0.000 0.748 456 E HN -0.026 nan 8.360 nan 0.000 0.449 457 R N 0.290 120.745 120.500 -0.075 0.000 2.081 457 R HA -0.032 4.308 4.340 -0.001 0.000 0.235 457 R C 2.396 178.646 176.300 -0.082 0.000 1.131 457 R CA 1.019 57.075 56.100 -0.075 0.000 0.960 457 R CB -0.497 29.751 30.300 -0.088 0.000 0.856 457 R HN 0.271 nan 8.270 nan 0.000 0.436 458 L N -0.118 121.047 121.223 -0.098 0.000 2.093 458 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 458 L C 2.372 179.185 176.870 -0.095 0.000 1.085 458 L CA 1.423 56.205 54.840 -0.097 0.000 0.755 458 L CB -0.434 41.562 42.059 -0.105 0.000 0.904 458 L HN 0.287 nan 8.230 nan 0.000 0.435 459 E N 0.210 120.358 120.200 -0.085 0.000 2.058 459 E HA -0.318 4.031 4.350 -0.001 0.000 0.194 459 E C 2.230 178.763 176.600 -0.111 0.000 0.997 459 E CA 1.530 57.873 56.400 -0.094 0.000 0.801 459 E CB -0.028 29.638 29.700 -0.056 0.000 0.746 459 E HN 0.441 nan 8.360 nan 0.000 0.450 460 Q N -0.141 119.613 119.800 -0.077 0.000 2.050 460 Q HA -0.198 4.141 4.340 -0.001 0.000 0.202 460 Q C 2.091 178.045 176.000 -0.078 0.000 0.980 460 Q CA 1.562 57.327 55.803 -0.064 0.000 0.840 460 Q CB -0.219 28.495 28.738 -0.039 0.000 0.898 460 Q HN 0.359 nan 8.270 nan 0.000 0.424 461 A N 1.054 123.826 122.820 -0.079 0.000 1.902 461 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 461 A C 2.087 179.611 177.584 -0.099 0.000 1.181 461 A CA 1.424 53.416 52.037 -0.075 0.000 0.623 461 A CB -0.504 18.456 19.000 -0.068 0.000 0.818 461 A HN 0.354 nan 8.150 nan 0.000 0.443 462 R N -0.800 119.621 120.500 -0.132 0.000 2.081 462 R HA -0.100 4.239 4.340 -0.001 0.000 0.235 462 R C 2.468 178.616 176.300 -0.253 0.000 1.131 462 R CA 1.651 57.647 56.100 -0.174 0.000 0.960 462 R CB -0.279 29.907 30.300 -0.189 0.000 0.856 462 R HN 0.499 nan 8.270 nan 0.000 0.436 463 R N 0.262 120.576 120.500 -0.309 0.000 2.090 463 R HA -0.071 4.269 4.340 -0.001 0.000 0.228 463 R C 2.144 178.375 176.300 -0.116 0.000 1.110 463 R CA 0.954 56.803 56.100 -0.418 0.000 0.973 463 R CB -0.015 30.062 30.300 -0.372 0.000 0.869 463 R HN 0.190 nan 8.270 nan 0.000 0.440 464 E N 0.837 121.008 120.200 -0.048 0.000 2.072 464 E HA -0.184 4.165 4.350 -0.001 0.000 0.191 464 E C 1.991 178.624 176.600 0.055 0.000 0.985 464 E CA 0.842 57.260 56.400 0.030 0.000 0.801 464 E CB -0.236 29.474 29.700 0.016 0.000 0.750 464 E HN 0.157 nan 8.360 nan 0.000 0.452 465 L N 1.174 122.398 121.223 0.003 0.000 2.056 465 L HA -0.071 4.269 4.340 -0.001 0.000 0.207 465 L C 2.184 179.096 176.870 0.070 0.000 1.078 465 L CA 1.597 56.457 54.840 0.033 0.000 0.749 465 L CB -0.575 41.468 42.059 -0.026 0.000 0.901 465 L HN -0.101 nan 8.230 nan 0.000 0.433 466 S N -0.355 115.344 115.700 -0.001 0.000 2.368 466 S HA -0.172 4.298 4.470 -0.001 0.000 0.225 466 S C 1.830 176.561 174.600 0.219 0.000 1.030 466 S CA 1.520 59.748 58.200 0.047 0.000 0.999 466 S CB -0.601 62.515 63.200 -0.139 0.000 0.844 466 S HN 0.473 nan 8.310 nan 0.000 0.459 467 L N 0.862 122.254 121.223 0.282 0.000 2.042 467 L HA -0.030 4.310 4.340 -0.001 0.000 0.210 467 L C 1.845 178.814 176.870 0.164 0.000 1.076 467 L CA 1.709 56.715 54.840 0.278 0.000 0.749 467 L CB -0.781 41.410 42.059 0.219 0.000 0.893 467 L HN 0.286 nan 8.230 nan 0.000 0.432 468 F N -0.097 119.817 119.950 -0.060 0.000 2.408 468 F HA -0.143 4.383 4.527 -0.001 0.000 0.300 468 F C 2.166 177.878 175.800 -0.147 0.000 1.090 468 F CA 0.934 58.785 58.000 -0.247 0.000 1.427 468 F CB -0.246 38.649 39.000 -0.175 0.000 1.070 468 F HN 0.281 nan 8.300 nan 0.000 0.549 469 Q N -0.420 119.338 119.800 -0.071 0.000 2.488 469 Q HA -0.135 4.204 4.340 -0.001 0.000 0.211 469 Q C 0.682 176.619 176.000 -0.105 0.000 0.967 469 Q CA 0.390 56.129 55.803 -0.106 0.000 0.926 469 Q CB -1.239 27.510 28.738 0.018 0.000 0.992 469 Q HN 0.571 nan 8.270 nan 0.000 0.506 470 H N 1.935 120.883 119.070 -0.202 0.000 3.016 470 H HA -0.087 4.468 4.556 -0.001 0.000 0.345 470 H C 1.076 176.243 175.328 -0.268 0.000 1.066 470 H CA 0.207 56.136 56.048 -0.198 0.000 1.390 470 H CB 0.699 30.359 29.762 -0.170 0.000 1.344 470 H HN 0.317 nan 8.280 nan 0.000 0.605 471 H N 3.050 121.763 119.070 -0.595 0.000 2.568 471 H HA -0.052 4.504 4.556 -0.001 0.000 0.275 471 H C -0.265 174.638 175.328 -0.708 0.000 1.028 471 H CA 0.497 56.128 56.048 -0.695 0.000 1.173 471 H CB 0.179 29.514 29.762 -0.712 0.000 1.335 471 H HN 0.612 nan 8.280 nan 0.000 0.614 472 D N 0.167 119.858 120.400 -1.181 0.000 2.500 472 D HA 0.125 4.764 4.640 -0.001 0.000 0.217 472 D C 1.662 177.902 176.300 -0.101 0.000 1.159 472 D CA 0.352 54.158 54.000 -0.323 0.000 0.828 472 D CB 0.794 41.622 40.800 0.046 0.000 1.039 472 D HN 0.512 nan 8.370 nan 0.000 0.512 473 G N 1.339 109.845 108.800 -0.489 0.000 2.549 473 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.219 473 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.219 473 G C 1.371 175.623 174.900 -1.081 0.000 1.677 473 G CA -0.206 44.330 45.100 -0.940 0.000 0.929 473 G HN 0.187 nan 8.290 nan 0.000 0.549 474 I N 1.924 121.487 120.570 -1.679 0.000 2.399 474 I HA -0.230 3.940 4.170 -0.001 0.000 0.254 474 I C 2.900 178.908 176.117 -0.180 0.000 1.146 474 I CA 2.151 62.877 61.300 -0.957 0.000 1.412 474 I CB -0.051 37.606 38.000 -0.572 0.000 1.076 474 I HN 0.400 nan 8.210 nan 0.000 0.432 475 T N -1.747 112.739 114.554 -0.115 0.000 3.007 475 T HA 0.032 4.381 4.350 -0.001 0.000 0.270 475 T C 1.535 176.377 174.700 0.236 0.000 1.107 475 T CA 0.629 62.860 62.100 0.219 0.000 1.118 475 T CB -0.496 68.498 68.868 0.210 0.000 0.889 475 T HN 0.653 nan 8.240 nan 0.000 0.506 476 G N 1.550 110.441 108.800 0.151 0.000 2.198 476 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.260 476 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.260 476 G C 0.552 175.521 174.900 0.115 0.000 1.025 476 G CA 0.676 45.892 45.100 0.193 0.000 0.769 476 G HN 1.173 nan 8.290 nan 0.000 0.507 477 T N -3.391 111.216 114.554 0.089 0.000 3.248 477 T HA 0.742 5.092 4.350 -0.001 0.000 0.271 477 T C 0.834 175.716 174.700 0.304 0.000 1.005 477 T CA 0.996 63.074 62.100 -0.036 0.000 0.902 477 T CB 0.933 69.591 68.868 -0.351 0.000 1.102 477 T HN 1.554 nan 8.240 nan 0.000 0.548 478 A N 1.230 124.251 122.820 0.335 0.000 2.269 478 A HA 0.695 5.014 4.320 -0.001 0.000 0.327 478 A C 0.173 177.858 177.584 0.169 0.000 1.112 478 A CA -0.965 51.312 52.037 0.399 0.000 0.865 478 A CB 0.883 20.138 19.000 0.425 0.000 1.227 478 A HN 0.413 nan 8.150 nan 0.000 0.498 479 K N -0.057 120.369 120.400 0.042 0.000 2.319 479 K HA 0.157 4.477 4.320 -0.001 0.000 0.265 479 K C 1.107 177.701 176.600 -0.009 0.000 1.000 479 K CA 0.388 56.672 56.287 -0.006 0.000 0.943 479 K CB 0.420 32.896 32.500 -0.041 0.000 0.950 479 K HN 0.759 nan 8.250 nan 0.000 0.485 480 T N 1.577 116.168 114.554 0.060 0.000 2.620 480 T HA -0.230 4.120 4.350 -0.001 0.000 0.267 480 T C 1.663 176.401 174.700 0.062 0.000 1.044 480 T CA 1.985 64.130 62.100 0.076 0.000 1.161 480 T CB -0.486 68.441 68.868 0.099 0.000 0.862 480 T HN 0.711 nan 8.240 nan 0.000 0.438 481 H N 0.554 119.627 119.070 0.005 0.000 2.491 481 H HA 0.116 4.672 4.556 -0.001 0.000 0.290 481 H C 2.041 177.353 175.328 -0.027 0.000 1.050 481 H CA 0.822 56.867 56.048 -0.006 0.000 1.309 481 H CB -0.817 28.936 29.762 -0.015 0.000 1.392 481 H HN 0.294 nan 8.280 nan 0.000 0.554 482 V N 1.084 120.642 119.914 -0.593 0.000 2.488 482 V HA -0.151 3.969 4.120 -0.001 0.000 0.246 482 V C 2.962 178.872 176.094 -0.306 0.000 1.046 482 V CA 1.005 63.005 62.300 -0.501 0.000 1.053 482 V CB -0.323 31.246 31.823 -0.424 0.000 0.679 482 V HN 0.229 nan 8.190 nan 0.000 0.458 483 V N -0.188 119.674 119.914 -0.087 0.000 2.343 483 V HA -0.221 3.898 4.120 -0.001 0.000 0.247 483 V C 2.461 178.548 176.094 -0.011 0.000 1.051 483 V CA 1.823 64.140 62.300 0.028 0.000 1.036 483 V CB -0.408 31.403 31.823 -0.021 0.000 0.654 483 V HN 0.404 nan 8.190 nan 0.000 0.451 484 V N 0.471 120.386 119.914 0.002 0.000 2.343 484 V HA -0.313 3.807 4.120 -0.001 0.000 0.247 484 V C 2.333 178.457 176.094 0.049 0.000 1.051 484 V CA 2.494 64.828 62.300 0.056 0.000 1.036 484 V CB -0.639 31.225 31.823 0.069 0.000 0.654 484 V HN 0.673 nan 8.190 nan 0.000 0.451 485 D N -1.106 119.279 120.400 -0.024 0.000 2.104 485 D HA -0.218 4.421 4.640 -0.001 0.000 0.194 485 D C 2.011 178.337 176.300 0.044 0.000 0.994 485 D CA 1.646 55.630 54.000 -0.027 0.000 0.830 485 D CB -0.184 40.544 40.800 -0.119 0.000 0.959 485 D HN 0.478 nan 8.370 nan 0.000 0.452 486 Y N 1.021 121.377 120.300 0.093 0.000 2.181 486 Y HA -0.078 4.472 4.550 -0.001 0.000 0.288 486 Y C 2.479 178.368 175.900 -0.019 0.000 1.146 486 Y CA 1.374 59.527 58.100 0.088 0.000 1.164 486 Y CB -0.890 37.692 38.460 0.204 0.000 0.982 486 Y HN 0.176 nan 8.280 nan 0.000 0.515 487 E N 0.074 120.389 120.200 0.191 0.000 2.051 487 E HA -0.270 4.079 4.350 -0.001 0.000 0.192 487 E C 2.041 178.729 176.600 0.148 0.000 0.991 487 E CA 1.532 58.054 56.400 0.204 0.000 0.799 487 E CB -0.095 29.822 29.700 0.360 0.000 0.748 487 E HN 0.564 nan 8.360 nan 0.000 0.449 488 Q N -0.049 119.827 119.800 0.126 0.000 2.096 488 Q HA -0.174 4.166 4.340 -0.001 0.000 0.204 488 Q C 2.331 178.378 176.000 0.078 0.000 0.982 488 Q CA 1.575 57.435 55.803 0.095 0.000 0.850 488 Q CB -0.078 28.706 28.738 0.078 0.000 0.901 488 Q HN 0.216 nan 8.270 nan 0.000 0.422 489 R N -0.081 120.472 120.500 0.088 0.000 2.081 489 R HA -0.072 4.267 4.340 -0.001 0.000 0.235 489 R C 2.231 178.555 176.300 0.040 0.000 1.131 489 R CA 1.394 57.538 56.100 0.074 0.000 0.960 489 R CB -0.163 30.206 30.300 0.115 0.000 0.856 489 R HN 0.307 nan 8.270 nan 0.000 0.436 490 M N -0.052 119.560 119.600 0.020 0.000 2.254 490 M HA -0.148 4.332 4.480 -0.001 0.000 0.265 490 M C 2.296 178.591 176.300 -0.007 0.000 1.066 490 M CA 1.281 56.559 55.300 -0.037 0.000 1.123 490 M CB -0.084 32.434 32.600 -0.136 0.000 1.388 490 M HN 0.024 nan 8.290 nan 0.000 0.425 491 Q N 1.016 120.842 119.800 0.045 0.000 2.096 491 Q HA -0.182 4.158 4.340 -0.001 0.000 0.204 491 Q C 1.721 177.735 176.000 0.023 0.000 0.982 491 Q CA 1.710 57.550 55.803 0.062 0.000 0.850 491 Q CB -0.099 28.696 28.738 0.095 0.000 0.901 491 Q HN 0.361 nan 8.270 nan 0.000 0.422 492 E N -0.250 119.962 120.200 0.020 0.000 2.106 492 E HA -0.119 4.230 4.350 -0.001 0.000 0.192 492 E C 1.859 178.450 176.600 -0.014 0.000 0.984 492 E CA 1.098 57.501 56.400 0.005 0.000 0.806 492 E CB -0.451 29.256 29.700 0.013 0.000 0.750 492 E HN 0.461 nan 8.360 nan 0.000 0.458 493 A N 1.398 124.207 122.820 -0.018 0.000 1.902 493 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 493 A C 2.408 179.962 177.584 -0.050 0.000 1.181 493 A CA 1.107 53.123 52.037 -0.036 0.000 0.623 493 A CB -0.768 18.208 19.000 -0.040 0.000 0.818 493 A HN 0.170 nan 8.150 nan 0.000 0.443 494 L N -0.594 120.594 121.223 -0.058 0.000 2.012 494 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 494 L C 2.630 179.433 176.870 -0.112 0.000 1.073 494 L CA 1.889 56.667 54.840 -0.104 0.000 0.748 494 L CB -0.427 41.571 42.059 -0.102 0.000 0.891 494 L HN 0.374 nan 8.230 nan 0.000 0.431 495 K N -0.195 120.165 120.400 -0.067 0.000 2.097 495 K HA -0.168 4.152 4.320 -0.001 0.000 0.206 495 K C 2.212 178.781 176.600 -0.051 0.000 1.049 495 K CA 1.348 57.600 56.287 -0.057 0.000 0.933 495 K CB -0.289 32.191 32.500 -0.033 0.000 0.717 495 K HN 0.310 nan 8.250 nan 0.000 0.442 496 A N 1.332 124.124 122.820 -0.047 0.000 1.858 496 A HA -0.200 4.120 4.320 -0.001 0.000 0.216 496 A C 2.497 180.051 177.584 -0.050 0.000 1.190 496 A CA 1.617 53.626 52.037 -0.047 0.000 0.617 496 A CB -1.078 17.893 19.000 -0.048 0.000 0.827 496 A HN 0.416 nan 8.150 nan 0.000 0.443 497 C N -0.913 118.357 119.300 -0.050 0.000 2.413 497 C HA -0.153 4.307 4.460 -0.001 0.000 0.276 497 C C 2.900 177.885 174.990 -0.008 0.000 1.236 497 C CA 1.336 60.339 59.018 -0.026 0.000 1.735 497 C CB -1.368 26.377 27.740 0.007 0.000 2.031 497 C HN 0.797 nan 8.230 nan 0.000 0.474 498 Q N 0.198 119.966 119.800 -0.054 0.000 2.096 498 Q HA -0.282 4.058 4.340 -0.001 0.000 0.204 498 Q C 2.148 178.184 176.000 0.060 0.000 0.982 498 Q CA 2.084 57.878 55.803 -0.015 0.000 0.850 498 Q CB -0.269 28.421 28.738 -0.080 0.000 0.901 498 Q HN 0.618 nan 8.270 nan 0.000 0.422 499 M N -0.199 119.411 119.600 0.017 0.000 2.086 499 M HA -0.129 4.351 4.480 -0.001 0.000 0.261 499 M C 1.848 178.162 176.300 0.022 0.000 1.067 499 M CA 1.518 56.837 55.300 0.032 0.000 1.116 499 M CB -0.385 32.216 32.600 0.002 0.000 1.348 499 M HN 0.127 nan 8.290 nan 0.000 0.407 500 V N 0.370 120.260 119.914 -0.041 0.000 2.295 500 V HA -0.318 3.801 4.120 -0.001 0.000 0.246 500 V C 2.430 178.489 176.094 -0.058 0.000 1.049 500 V CA 2.302 64.526 62.300 -0.127 0.000 1.024 500 V CB -0.741 30.985 31.823 -0.163 0.000 0.648 500 V HN 0.567 nan 8.190 nan 0.000 0.447 501 M N 0.275 119.906 119.600 0.052 0.000 2.065 501 M HA -0.290 4.190 4.480 -0.001 0.000 0.259 501 M C 2.405 178.780 176.300 0.125 0.000 1.069 501 M CA 2.577 57.965 55.300 0.146 0.000 1.110 501 M CB -0.565 32.255 32.600 0.367 0.000 1.328 501 M HN 0.556 nan 8.290 nan 0.000 0.405 502 Q N -0.167 119.789 119.800 0.260 0.000 2.119 502 Q HA -0.156 4.184 4.340 -0.001 0.000 0.201 502 Q C 1.828 178.021 176.000 0.323 0.000 0.972 502 Q CA 1.270 57.246 55.803 0.289 0.000 0.847 502 Q CB -0.605 28.405 28.738 0.452 0.000 0.903 502 Q HN 0.424 nan 8.270 nan 0.000 0.433 503 Q N 0.465 120.436 119.800 0.285 0.000 2.079 503 Q HA -0.038 4.302 4.340 -0.001 0.000 0.200 503 Q C 2.296 178.538 176.000 0.403 0.000 0.974 503 Q CA 1.672 57.714 55.803 0.398 0.000 0.840 503 Q CB -0.198 28.687 28.738 0.245 0.000 0.898 503 Q HN 0.518 nan 8.270 nan 0.000 0.430 504 S N 0.332 116.148 115.700 0.192 0.000 2.356 504 S HA -0.093 4.376 4.470 -0.001 0.000 0.223 504 S C 2.189 176.833 174.600 0.074 0.000 1.032 504 S CA 1.057 59.418 58.200 0.267 0.000 1.005 504 S CB -0.248 63.035 63.200 0.139 0.000 0.867 504 S HN 0.129 nan 8.310 nan 0.000 0.449 505 V N 0.824 120.652 119.914 -0.143 0.000 2.332 505 V HA -0.200 3.919 4.120 -0.001 0.000 0.248 505 V C 2.008 178.041 176.094 -0.102 0.000 1.055 505 V CA 1.877 63.953 62.300 -0.373 0.000 1.038 505 V CB -0.741 30.451 31.823 -1.052 0.000 0.651 505 V HN 0.558 nan 8.190 nan 0.000 0.450 506 Y N 1.197 121.522 120.300 0.042 0.000 2.181 506 Y HA -0.245 4.305 4.550 -0.001 0.000 0.288 506 Y C 2.710 178.674 175.900 0.106 0.000 1.146 506 Y CA 2.218 60.447 58.100 0.215 0.000 1.164 506 Y CB -0.305 38.215 38.460 0.100 0.000 0.982 506 Y HN 0.118 nan 8.280 nan 0.000 0.515 507 R N -0.205 120.190 120.500 -0.174 0.000 2.073 507 R HA -0.068 4.272 4.340 -0.001 0.000 0.229 507 R C 2.042 178.000 176.300 -0.571 0.000 1.120 507 R CA 1.529 57.178 56.100 -0.752 0.000 0.967 507 R CB -0.343 29.574 30.300 -0.637 0.000 0.862 507 R HN 0.439 nan 8.270 nan 0.000 0.436 508 L N 0.320 121.347 121.223 -0.326 0.000 2.376 508 L HA -0.019 4.321 4.340 -0.001 0.000 0.219 508 L C 1.286 178.004 176.870 -0.254 0.000 1.133 508 L CA 0.659 55.262 54.840 -0.394 0.000 0.816 508 L CB 0.161 41.804 42.059 -0.693 0.000 0.933 508 L HN 0.226 nan 8.230 nan 0.000 0.449 509 L N -1.288 119.875 121.223 -0.100 0.000 3.122 509 L HA 0.234 4.574 4.340 -0.001 0.000 0.274 509 L C -0.226 176.660 176.870 0.026 0.000 1.222 509 L CA -0.066 54.802 54.840 0.047 0.000 1.028 509 L CB 0.615 42.840 42.059 0.276 0.000 1.386 509 L HN -0.030 nan 8.230 nan 0.000 0.578 510 T N 0.412 114.910 114.554 -0.093 0.000 2.792 510 T HA 0.179 4.528 4.350 -0.001 0.000 0.280 510 T C -0.101 174.500 174.700 -0.166 0.000 0.990 510 T CA -0.532 61.490 62.100 -0.129 0.000 0.960 510 T CB 2.209 70.962 68.868 -0.192 0.000 0.939 510 T HN 0.036 nan 8.240 nan 0.000 0.439 511 K N 4.241 124.556 120.400 -0.143 0.000 2.543 511 K HA -0.057 4.262 4.320 -0.001 0.000 0.279 511 K C -1.673 174.882 176.600 -0.074 0.000 1.001 511 K CA -0.880 55.343 56.287 -0.106 0.000 1.088 511 K CB 0.421 32.866 32.500 -0.092 0.000 0.863 511 K HN 0.179 nan 8.250 nan 0.000 0.488 512 P HA -0.223 nan 4.420 nan 0.000 0.216 512 P C 0.833 178.137 177.300 0.007 0.000 1.153 512 P CA 1.683 64.754 63.100 -0.049 0.000 0.858 512 P CB 0.089 31.756 31.700 -0.056 0.000 0.789 513 S N -2.271 113.426 115.700 -0.006 0.000 2.603 513 S HA 0.037 4.506 4.470 -0.001 0.000 0.229 513 S C 1.619 176.224 174.600 0.008 0.000 0.972 513 S CA 0.575 58.776 58.200 0.001 0.000 0.935 513 S CB -1.128 62.066 63.200 -0.010 0.000 0.769 513 S HN 0.114 nan 8.310 nan 0.000 0.536 514 I N -1.057 119.524 120.570 0.019 0.000 4.244 514 I HA 0.233 4.403 4.170 -0.001 0.000 0.318 514 I C 0.293 176.446 176.117 0.061 0.000 1.282 514 I CA -0.494 60.822 61.300 0.027 0.000 1.276 514 I CB 0.105 38.113 38.000 0.012 0.000 1.183 514 I HN 0.242 nan 8.210 nan 0.000 0.431 515 Y N 2.955 123.200 120.300 -0.092 0.000 2.852 515 Y HA -0.063 4.487 4.550 -0.001 0.000 0.343 515 Y C 0.456 176.331 175.900 -0.042 0.000 1.280 515 Y CA 0.051 58.069 58.100 -0.136 0.000 1.604 515 Y CB 0.314 38.640 38.460 -0.224 0.000 1.216 515 Y HN -0.109 nan 8.280 nan 0.000 0.541 516 S N 8.968 124.463 115.700 -0.341 0.000 2.216 516 S HA 0.362 4.832 4.470 -0.001 0.000 0.156 516 S C -2.804 171.570 174.600 -0.378 0.000 1.665 516 S CA -1.238 56.756 58.200 -0.344 0.000 1.262 516 S CB -0.061 63.060 63.200 -0.132 0.000 1.207 516 S HN 0.658 nan 8.310 nan 0.000 0.427 517 P HA 0.312 nan 4.420 nan 0.000 0.275 517 P C -1.202 175.805 177.300 -0.489 0.000 1.227 517 P CA -0.113 62.689 63.100 -0.497 0.000 0.781 517 P CB 0.842 32.157 31.700 -0.641 0.000 0.906 518 D N 2.461 122.741 120.400 -0.200 0.000 2.462 518 D HA 0.156 4.795 4.640 -0.001 0.000 0.245 518 D C 0.199 176.498 176.300 -0.002 0.000 1.122 518 D CA -0.696 53.197 54.000 -0.177 0.000 0.864 518 D CB 0.353 41.086 40.800 -0.112 0.000 1.098 518 D HN 0.036 nan 8.370 nan 0.000 0.541 519 F N 1.615 121.675 119.950 0.184 0.000 2.722 519 F HA -0.044 4.482 4.527 -0.001 0.000 0.298 519 F C 2.310 178.191 175.800 0.134 0.000 1.175 519 F CA 0.485 58.601 58.000 0.193 0.000 1.462 519 F CB -0.311 38.787 39.000 0.165 0.000 1.111 519 F HN 0.333 nan 8.300 nan 0.000 0.592 520 S N -2.049 113.791 115.700 0.234 0.000 2.539 520 S HA 0.165 4.634 4.470 -0.001 0.000 0.221 520 S C 0.186 174.827 174.600 0.068 0.000 0.987 520 S CA -0.453 57.827 58.200 0.132 0.000 0.929 520 S CB -0.691 62.562 63.200 0.089 0.000 0.832 520 S HN 0.117 nan 8.310 nan 0.000 0.492 521 F N 2.885 122.763 119.950 -0.121 0.000 2.377 521 F HA 0.568 5.095 4.527 -0.001 0.000 0.328 521 F C -0.055 175.495 175.800 -0.417 0.000 1.094 521 F CA -0.511 57.282 58.000 -0.346 0.000 1.093 521 F CB 1.502 40.142 39.000 -0.601 0.000 1.214 521 F HN -0.037 nan 8.300 nan 0.000 0.518 522 S N 5.511 120.649 115.700 -0.937 0.000 2.464 522 S HA 0.161 4.631 4.470 -0.001 0.000 0.313 522 S C 0.183 174.419 174.600 -0.606 0.000 1.078 522 S CA -0.409 57.453 58.200 -0.563 0.000 1.096 522 S CB -0.113 62.799 63.200 -0.480 0.000 1.032 522 S HN 0.637 nan 8.310 nan 0.000 0.498 523 Y N 1.403 121.612 120.300 -0.153 0.000 2.286 523 Y HA 0.209 4.759 4.550 -0.001 0.000 0.293 523 Y C 0.405 175.776 175.900 -0.882 0.000 1.124 523 Y CA 0.671 58.472 58.100 -0.499 0.000 1.178 523 Y CB 0.113 38.302 38.460 -0.452 0.000 1.010 523 Y HN 0.492 nan 8.280 nan 0.000 0.536 524 F N -1.200 118.748 119.950 -0.002 0.000 2.588 524 F HA 0.465 4.992 4.527 -0.001 0.000 0.314 524 F C -0.006 175.849 175.800 0.092 0.000 1.069 524 F CA -1.418 56.625 58.000 0.072 0.000 0.931 524 F CB 1.751 40.909 39.000 0.264 0.000 1.260 524 F HN -0.386 nan 8.300 nan 0.000 0.465 525 T N 0.337 115.067 114.554 0.293 0.000 2.885 525 T HA 0.711 5.060 4.350 -0.001 0.000 0.285 525 T C -0.679 174.143 174.700 0.204 0.000 1.019 525 T CA -0.816 61.390 62.100 0.177 0.000 1.010 525 T CB 1.181 70.085 68.868 0.060 0.000 1.022 525 T HN 0.514 nan 8.240 nan 0.000 0.466 526 L N 2.049 123.311 121.223 0.064 0.000 2.397 526 L HA 0.424 4.763 4.340 -0.001 0.000 0.271 526 L C 0.085 176.940 176.870 -0.026 0.000 1.148 526 L CA -0.330 54.457 54.840 -0.087 0.000 0.825 526 L CB 0.734 42.673 42.059 -0.200 0.000 1.117 526 L HN 0.820 nan 8.230 nan 0.000 0.456 527 D N 1.635 122.018 120.400 -0.028 0.000 2.425 527 D HA 0.183 4.823 4.640 -0.001 0.000 0.240 527 D C -1.193 175.043 176.300 -0.107 0.000 1.080 527 D CA -0.389 53.588 54.000 -0.039 0.000 0.836 527 D CB 1.035 41.850 40.800 0.025 0.000 1.125 527 D HN 0.283 nan 8.370 nan 0.000 0.525 528 D N 2.592 122.939 120.400 -0.089 0.000 2.471 528 D HA 0.175 4.815 4.640 -0.001 0.000 0.245 528 D C 0.155 176.397 176.300 -0.097 0.000 1.116 528 D CA -0.426 53.550 54.000 -0.039 0.000 0.853 528 D CB 1.835 42.697 40.800 0.103 0.000 1.123 528 D HN 0.270 nan 8.370 nan 0.000 0.540 529 S N 2.687 118.302 115.700 -0.141 0.000 2.489 529 S HA 0.005 4.474 4.470 -0.001 0.000 0.228 529 S C 1.403 175.957 174.600 -0.078 0.000 0.995 529 S CA 0.591 58.696 58.200 -0.158 0.000 0.934 529 S CB 0.374 63.467 63.200 -0.178 0.000 0.771 529 S HN 0.503 nan 8.310 nan 0.000 0.522 530 R N -0.648 119.841 120.500 -0.019 0.000 2.508 530 R HA 0.220 4.559 4.340 -0.001 0.000 0.300 530 R C -0.554 175.816 176.300 0.117 0.000 0.970 530 R CA -0.095 56.019 56.100 0.023 0.000 1.102 530 R CB 0.742 31.052 30.300 0.017 0.000 1.246 530 R HN 0.346 nan 8.270 nan 0.000 0.539 531 W N 1.397 122.660 121.300 -0.061 0.000 3.211 531 W HA 0.289 4.948 4.660 -0.001 0.000 0.335 531 W C -2.923 173.567 176.519 -0.049 0.000 1.113 531 W CA -2.061 55.248 57.345 -0.060 0.000 1.235 531 W CB 1.762 31.197 29.460 -0.042 0.000 1.365 531 W HN -0.198 nan 8.180 nan 0.000 0.476 532 P HA 0.089 nan 4.420 nan 0.000 0.225 532 P C 0.366 177.285 177.300 -0.635 0.000 1.148 532 P CA 1.801 64.016 63.100 -1.475 0.000 0.779 532 P CB 0.252 31.363 31.700 -0.982 0.000 0.780 533 G N -0.637 107.965 108.800 -0.329 0.000 2.617 533 G HA2 0.038 3.998 3.960 -0.001 0.000 0.686 533 G HA3 0.038 3.998 3.960 -0.001 0.000 0.686 533 G C -0.336 174.498 174.900 -0.109 0.000 1.214 533 G CA -0.441 44.563 45.100 -0.161 0.000 0.796 533 G HN 0.225 nan 8.290 nan 0.000 0.654 534 S N 0.594 116.271 115.700 -0.038 0.000 2.533 534 S HA 0.602 5.071 4.470 -0.001 0.000 0.282 534 S C 1.725 176.324 174.600 -0.002 0.000 1.304 534 S CA 1.368 59.579 58.200 0.019 0.000 1.063 534 S CB 1.308 64.561 63.200 0.088 0.000 0.881 534 S HN 2.868 nan 8.310 nan 0.000 0.493 535 G N 2.071 110.868 108.800 -0.005 0.000 2.284 535 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.230 535 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.230 535 G C 0.623 175.494 174.900 -0.048 0.000 1.021 535 G CA 0.211 45.297 45.100 -0.023 0.000 0.619 535 G HN 1.077 nan 8.290 nan 0.000 0.510 536 V N 0.454 120.322 119.914 -0.076 0.000 2.492 536 V HA 0.411 4.530 4.120 -0.001 0.000 0.241 536 V C 0.825 176.859 176.094 -0.099 0.000 1.041 536 V CA 2.060 64.302 62.300 -0.097 0.000 1.057 536 V CB 0.691 32.422 31.823 -0.152 0.000 0.711 536 V HN 0.646 nan 8.190 nan 0.000 0.468 537 E N -0.142 119.993 120.200 -0.110 0.000 2.347 537 E HA 0.121 4.470 4.350 -0.001 0.000 0.285 537 E C -1.697 174.868 176.600 -0.057 0.000 0.925 537 E CA -0.528 55.818 56.400 -0.089 0.000 0.779 537 E CB 1.785 31.405 29.700 -0.133 0.000 1.233 537 E HN 0.159 nan 8.360 nan 0.000 0.414 538 D N 3.248 123.635 120.400 -0.020 0.000 2.517 538 D HA 0.081 4.720 4.640 -0.001 0.000 0.220 538 D C 0.345 176.649 176.300 0.008 0.000 1.158 538 D CA 0.217 54.226 54.000 0.016 0.000 0.992 538 D CB 0.496 41.312 40.800 0.027 0.000 1.058 538 D HN 0.432 nan 8.370 nan 0.000 0.516 539 S N 2.208 117.901 115.700 -0.010 0.000 2.526 539 S HA 0.164 4.634 4.470 -0.001 0.000 0.220 539 S C 0.929 175.526 174.600 -0.005 0.000 1.017 539 S CA -0.457 57.731 58.200 -0.020 0.000 0.930 539 S CB 0.556 63.722 63.200 -0.057 0.000 0.856 539 S HN 0.231 nan 8.310 nan 0.000 0.497 540 R N 2.948 123.451 120.500 0.005 0.000 2.491 540 R HA 0.315 4.655 4.340 -0.001 0.000 0.283 540 R C 0.199 176.549 176.300 0.084 0.000 1.072 540 R CA 0.430 56.521 56.100 -0.014 0.000 1.048 540 R CB 0.428 30.608 30.300 -0.201 0.000 0.983 540 R HN 0.477 nan 8.270 nan 0.000 0.450 541 T N -0.579 114.020 114.554 0.076 0.000 2.856 541 T HA 0.182 4.531 4.350 -0.001 0.000 0.292 541 T C 0.258 175.070 174.700 0.187 0.000 0.980 541 T CA -0.766 61.401 62.100 0.112 0.000 1.091 541 T CB 1.396 70.314 68.868 0.084 0.000 0.936 541 T HN 0.355 nan 8.240 nan 0.000 0.503 542 T N 4.008 118.674 114.554 0.186 0.000 2.856 542 T HA 0.375 4.724 4.350 -0.001 0.000 0.292 542 T C 0.506 175.313 174.700 0.179 0.000 0.980 542 T CA -0.482 61.750 62.100 0.220 0.000 1.091 542 T CB 0.213 69.164 68.868 0.138 0.000 0.936 542 T HN 0.587 nan 8.240 nan 0.000 0.503 543 I N 4.349 125.044 120.570 0.209 0.000 2.436 543 I HA 0.133 4.303 4.170 -0.001 0.000 0.289 543 I C 0.034 176.237 176.117 0.144 0.000 1.083 543 I CA -0.289 61.113 61.300 0.168 0.000 1.372 543 I CB 0.352 38.455 38.000 0.171 0.000 1.408 543 I HN 0.350 nan 8.210 nan 0.000 0.516 544 I N 8.366 129.006 120.570 0.117 0.000 2.304 544 I HA 0.376 4.546 4.170 -0.001 0.000 0.291 544 I C 0.044 176.222 176.117 0.102 0.000 1.018 544 I CA -0.165 61.197 61.300 0.103 0.000 1.260 544 I CB 0.483 38.530 38.000 0.079 0.000 1.390 544 I HN 0.425 nan 8.210 nan 0.000 0.475 545 L N 5.046 126.333 121.223 0.107 0.000 2.309 545 L HA 0.976 5.316 4.340 -0.001 0.000 0.261 545 L C 0.127 177.054 176.870 0.095 0.000 1.021 545 L CA -0.697 54.203 54.840 0.102 0.000 0.823 545 L CB 2.543 44.667 42.059 0.109 0.000 1.366 545 L HN 0.695 nan 8.230 nan 0.000 0.423 546 G N -0.017 108.834 108.800 0.086 0.000 2.633 546 G HA2 0.312 4.271 3.960 -0.001 0.000 0.299 546 G HA3 0.312 4.271 3.960 -0.001 0.000 0.299 546 G C -0.470 174.470 174.900 0.067 0.000 1.501 546 G CA -0.465 44.683 45.100 0.079 0.000 0.887 546 G HN 0.611 nan 8.290 nan 0.000 0.561 547 E N 0.551 120.789 120.200 0.062 0.000 2.209 547 E HA -0.061 4.289 4.350 -0.001 0.000 0.196 547 E C 1.251 177.876 176.600 0.042 0.000 0.993 547 E CA 1.359 57.788 56.400 0.048 0.000 0.819 547 E CB 0.332 30.055 29.700 0.039 0.000 0.745 547 E HN 0.478 nan 8.360 nan 0.000 0.477 548 D N -0.601 119.824 120.400 0.042 0.000 2.339 548 D HA 0.182 4.821 4.640 -0.001 0.000 0.217 548 D C 0.893 177.217 176.300 0.040 0.000 1.050 548 D CA 0.172 54.194 54.000 0.037 0.000 0.856 548 D CB 0.627 41.447 40.800 0.033 0.000 0.922 548 D HN 0.203 nan 8.370 nan 0.000 0.518 549 I N -0.907 119.692 120.570 0.048 0.000 4.237 549 I HA 0.184 4.353 4.170 -0.001 0.000 0.161 549 I C -1.169 174.984 176.117 0.059 0.000 0.582 549 I CA -0.687 60.643 61.300 0.051 0.000 2.408 549 I CB 0.800 38.832 38.000 0.053 0.000 1.214 549 I HN -0.305 nan 8.210 nan 0.000 0.424 550 L N 3.854 125.118 121.223 0.069 0.000 2.315 550 L HA 0.378 4.718 4.340 -0.001 0.000 0.283 550 L C -2.011 174.907 176.870 0.079 0.000 1.089 550 L CA -1.220 53.668 54.840 0.080 0.000 0.833 550 L CB 0.811 42.927 42.059 0.095 0.000 1.170 550 L HN 0.245 nan 8.230 nan 0.000 0.442 551 P HA 0.018 nan 4.420 nan 0.000 0.230 551 P C -0.408 176.932 177.300 0.066 0.000 1.168 551 P CA 0.494 63.634 63.100 0.066 0.000 0.793 551 P CB 0.352 32.084 31.700 0.053 0.000 0.851 552 S N -1.702 114.041 115.700 0.073 0.000 2.638 552 S HA 0.755 5.225 4.470 -0.001 0.000 0.274 552 S C -1.139 173.519 174.600 0.097 0.000 1.157 552 S CA -0.672 57.563 58.200 0.059 0.000 0.826 552 S CB 2.569 65.777 63.200 0.015 0.000 1.139 552 S HN -0.128 nan 8.310 nan 0.000 0.474 553 K N 0.471 120.918 120.400 0.078 0.000 2.535 553 K HA 0.404 4.724 4.320 -0.001 0.000 0.251 553 K C -1.784 174.901 176.600 0.142 0.000 0.942 553 K CA -0.287 56.097 56.287 0.162 0.000 0.798 553 K CB 1.123 33.714 32.500 0.152 0.000 1.267 553 K HN 0.852 nan 8.250 nan 0.000 0.434 554 H N 2.142 121.365 119.070 0.254 0.000 2.548 554 H HA 0.440 4.996 4.556 -0.001 0.000 0.331 554 H C -0.206 175.352 175.328 0.384 0.000 1.093 554 H CA -0.230 56.014 56.048 0.328 0.000 1.367 554 H CB 1.300 31.354 29.762 0.487 0.000 1.455 554 H HN 0.468 nan 8.280 nan 0.000 0.519 555 V N 0.906 121.087 119.914 0.444 0.000 2.962 555 V HA 0.653 4.772 4.120 -0.001 0.000 0.313 555 V C -0.483 175.947 176.094 0.561 0.000 1.099 555 V CA -0.835 61.712 62.300 0.413 0.000 0.971 555 V CB 2.019 33.819 31.823 -0.038 0.000 1.028 555 V HN 0.404 nan 8.190 nan 0.000 0.430 556 V N 3.903 124.167 119.914 0.584 0.000 2.638 556 V HA 0.643 4.763 4.120 -0.001 0.000 0.306 556 V C -0.480 175.970 176.094 0.594 0.000 1.052 556 V CA -0.357 62.254 62.300 0.519 0.000 0.885 556 V CB 1.871 33.844 31.823 0.249 0.000 0.999 556 V HN 0.942 nan 8.190 nan 0.000 0.424 557 M N 4.098 124.020 119.600 0.536 0.000 2.404 557 M HA 0.505 4.985 4.480 -0.001 0.000 0.338 557 M C -0.521 176.057 176.300 0.462 0.000 1.150 557 M CA -0.316 55.275 55.300 0.485 0.000 1.016 557 M CB 1.271 34.098 32.600 0.379 0.000 1.672 557 M HN 0.765 nan 8.290 nan 0.000 0.448 558 H N 1.845 121.137 119.070 0.371 0.000 2.524 558 H HA 0.507 5.063 4.556 -0.001 0.000 0.353 558 H C -1.426 174.029 175.328 0.212 0.000 1.136 558 H CA -0.615 55.618 56.048 0.308 0.000 1.193 558 H CB 1.269 31.285 29.762 0.423 0.000 1.558 558 H HN 0.659 nan 8.280 nan 0.000 0.515 559 N N 2.969 121.438 118.700 -0.386 0.000 2.524 559 N HA 0.042 4.782 4.740 -0.001 0.000 0.261 559 N C 0.284 175.443 175.510 -0.585 0.000 0.998 559 N CA -0.310 52.518 53.050 -0.370 0.000 0.915 559 N CB 1.686 40.062 38.487 -0.185 0.000 1.187 559 N HN 0.643 nan 8.380 nan 0.000 0.507 560 T N 2.955 117.216 114.554 -0.489 0.000 3.085 560 T HA 0.179 4.529 4.350 -0.001 0.000 0.263 560 T C 0.661 175.315 174.700 -0.076 0.000 1.127 560 T CA 0.438 62.417 62.100 -0.200 0.000 1.103 560 T CB -0.244 68.639 68.868 0.025 0.000 0.921 560 T HN 0.422 nan 8.240 nan 0.000 0.510 561 L N 2.843 123.971 121.223 -0.157 0.000 2.395 561 L HA 0.321 4.660 4.340 -0.001 0.000 0.269 561 L C -1.553 175.177 176.870 -0.233 0.000 1.133 561 L CA -1.968 52.751 54.840 -0.203 0.000 0.812 561 L CB 0.686 42.505 42.059 -0.399 0.000 1.125 561 L HN -0.037 nan 8.230 nan 0.000 0.452 562 P HA 0.021 nan 4.420 nan 0.000 0.254 562 P C -0.922 176.391 177.300 0.022 0.000 1.631 562 P CA 0.438 63.523 63.100 -0.024 0.000 0.861 562 P CB -0.379 31.364 31.700 0.073 0.000 1.663 563 H N -3.416 115.660 119.070 0.011 0.000 3.046 563 H HA 0.218 4.773 4.556 -0.001 0.000 0.361 563 H C -1.041 174.293 175.328 0.009 0.000 1.235 563 H CA -1.068 55.004 56.048 0.041 0.000 1.146 563 H CB -0.156 29.661 29.762 0.091 0.000 1.859 563 H HN -0.134 nan 8.280 nan 0.000 0.548 564 W N 1.795 123.207 121.300 0.186 0.000 2.314 564 W HA 0.196 4.856 4.660 -0.001 0.000 0.339 564 W C 0.941 177.565 176.519 0.175 0.000 1.293 564 W CA 0.522 57.944 57.345 0.128 0.000 1.288 564 W CB 0.418 29.941 29.460 0.105 0.000 1.186 564 W HN 0.532 nan 8.180 nan 0.000 0.566 565 R N 2.305 122.996 120.500 0.319 0.000 2.621 565 R HA 0.314 4.653 4.340 -0.001 0.000 0.284 565 R C -1.107 175.329 176.300 0.227 0.000 0.998 565 R CA -0.673 55.577 56.100 0.249 0.000 0.895 565 R CB 1.427 31.798 30.300 0.118 0.000 1.195 565 R HN 0.484 nan 8.270 nan 0.000 0.450 566 E N 2.690 123.001 120.200 0.184 0.000 2.171 566 E HA 0.221 4.571 4.350 -0.001 0.000 0.271 566 E C -1.314 175.334 176.600 0.080 0.000 0.916 566 E CA -0.690 55.795 56.400 0.143 0.000 0.774 566 E CB 2.299 32.077 29.700 0.129 0.000 1.128 566 E HN 0.422 nan 8.360 nan 0.000 0.403 567 Q N 3.575 123.399 119.800 0.039 0.000 2.386 567 Q HA 0.271 4.611 4.340 -0.001 0.000 0.274 567 Q C -1.542 174.416 176.000 -0.071 0.000 1.011 567 Q CA -0.636 55.160 55.803 -0.011 0.000 0.867 567 Q CB 1.491 30.213 28.738 -0.027 0.000 1.409 567 Q HN 0.553 nan 8.270 nan 0.000 0.395 568 L N 3.008 124.182 121.223 -0.083 0.000 2.426 568 L HA 0.429 4.768 4.340 -0.001 0.000 0.271 568 L C 0.146 176.876 176.870 -0.234 0.000 1.169 568 L CA -0.464 54.288 54.840 -0.147 0.000 0.836 568 L CB 0.850 42.858 42.059 -0.085 0.000 1.112 568 L HN 0.492 nan 8.230 nan 0.000 0.465 569 V N -0.779 118.888 119.914 -0.412 0.000 2.914 569 V HA 0.719 4.838 4.120 -0.001 0.000 0.314 569 V C -1.031 174.780 176.094 -0.472 0.000 1.084 569 V CA -0.840 61.185 62.300 -0.458 0.000 0.963 569 V CB 2.129 33.647 31.823 -0.508 0.000 1.025 569 V HN 0.790 nan 8.190 nan 0.000 0.432 570 D N 1.481 121.604 120.400 -0.462 0.000 2.601 570 D HA 0.674 5.314 4.640 -0.001 0.000 0.230 570 D C -1.331 174.657 176.300 -0.520 0.000 1.106 570 D CA -0.475 53.362 54.000 -0.270 0.000 0.873 570 D CB 2.401 43.128 40.800 -0.121 0.000 1.515 570 D HN 0.449 nan 8.370 nan 0.000 0.468 571 F N -0.460 119.529 119.950 0.065 0.000 2.613 571 F HA 0.346 4.872 4.527 -0.001 0.000 0.314 571 F C -0.667 175.262 175.800 0.215 0.000 1.075 571 F CA -1.027 57.021 58.000 0.079 0.000 0.945 571 F CB 1.566 40.668 39.000 0.171 0.000 1.310 571 F HN 0.144 nan 8.300 nan 0.000 0.467 572 Y N 2.219 122.674 120.300 0.259 0.000 2.316 572 Y HA 0.568 5.118 4.550 -0.001 0.000 0.331 572 Y C 0.163 176.181 175.900 0.197 0.000 1.083 572 Y CA -1.414 56.786 58.100 0.166 0.000 1.206 572 Y CB 1.008 39.522 38.460 0.088 0.000 1.195 572 Y HN 0.344 nan 8.280 nan 0.000 0.497 573 V N -0.201 119.912 119.914 0.331 0.000 3.040 573 V HA 0.551 4.670 4.120 -0.001 0.000 0.312 573 V C 0.415 176.654 176.094 0.241 0.000 1.115 573 V CA -0.644 61.816 62.300 0.267 0.000 0.998 573 V CB 1.667 33.646 31.823 0.260 0.000 1.042 573 V HN 0.653 nan 8.190 nan 0.000 0.433 574 S N 0.204 116.027 115.700 0.204 0.000 2.562 574 S HA 0.184 4.653 4.470 -0.001 0.000 0.221 574 S C 0.777 175.553 174.600 0.294 0.000 0.975 574 S CA 0.588 58.902 58.200 0.190 0.000 0.918 574 S CB -0.222 63.056 63.200 0.130 0.000 0.772 574 S HN 1.558 nan 8.310 nan 0.000 0.531 575 S N 1.159 117.022 115.700 0.272 0.000 2.546 575 S HA 0.570 5.039 4.470 -0.001 0.000 0.274 575 S C -2.610 171.871 174.600 -0.198 0.000 1.121 575 S CA -1.432 56.803 58.200 0.060 0.000 0.887 575 S CB 2.019 65.264 63.200 0.076 0.000 1.094 575 S HN 0.012 nan 8.310 nan 0.000 0.474 576 P HA 0.178 nan 4.420 nan 0.000 0.236 576 P C -0.223 176.821 177.300 -0.426 0.000 1.177 576 P CA 0.290 62.952 63.100 -0.731 0.000 0.773 576 P CB -0.176 30.814 31.700 -1.182 0.000 0.878 577 F N 0.973 120.933 119.950 0.017 0.000 2.467 577 F HA 0.255 4.782 4.527 -0.001 0.000 0.349 577 F C 0.508 176.358 175.800 0.083 0.000 1.182 577 F CA -0.889 57.157 58.000 0.077 0.000 1.279 577 F CB -0.023 38.982 39.000 0.008 0.000 1.626 577 F HN -0.326 nan 8.300 nan 0.000 0.596 578 V N 1.063 121.100 119.914 0.206 0.000 2.709 578 V HA 0.660 4.779 4.120 -0.001 0.000 0.308 578 V C -0.326 175.838 176.094 0.117 0.000 1.062 578 V CA -0.886 61.502 62.300 0.147 0.000 0.901 578 V CB 2.316 34.217 31.823 0.130 0.000 1.003 578 V HN 0.512 nan 8.190 nan 0.000 0.425 579 S N 3.010 118.762 115.700 0.086 0.000 2.600 579 S HA 0.890 5.359 4.470 -0.001 0.000 0.300 579 S C -0.980 173.612 174.600 -0.013 0.000 1.087 579 S CA -0.760 57.474 58.200 0.057 0.000 0.965 579 S CB 2.071 65.324 63.200 0.089 0.000 1.089 579 S HN 0.458 nan 8.310 nan 0.000 0.496 580 V N 2.056 121.926 119.914 -0.074 0.000 2.581 580 V HA 0.804 4.924 4.120 -0.001 0.000 0.303 580 V C 0.150 176.163 176.094 -0.135 0.000 1.041 580 V CA -0.416 61.761 62.300 -0.205 0.000 0.907 580 V CB 1.632 33.134 31.823 -0.535 0.000 0.994 580 V HN 1.210 nan 8.190 nan 0.000 0.442 581 T N -0.392 114.103 114.554 -0.099 0.000 2.906 581 T HA 0.672 5.021 4.350 -0.001 0.000 0.295 581 T C -0.873 173.809 174.700 -0.030 0.000 1.075 581 T CA -0.913 61.151 62.100 -0.060 0.000 1.005 581 T CB 2.105 70.928 68.868 -0.075 0.000 1.136 581 T HN 0.709 nan 8.240 nan 0.000 0.498 582 D N 0.429 120.775 120.400 -0.090 0.000 2.506 582 D HA 0.285 4.924 4.640 -0.001 0.000 0.272 582 D C 0.783 176.949 176.300 -0.223 0.000 1.214 582 D CA -1.195 52.622 54.000 -0.305 0.000 1.067 582 D CB 0.302 40.950 40.800 -0.253 0.000 1.117 582 D HN 0.335 nan 8.370 nan 0.000 0.578 583 L N -0.743 120.342 121.223 -0.230 0.000 2.599 583 L HA 0.308 4.648 4.340 -0.001 0.000 0.230 583 L C 1.563 178.373 176.870 -0.100 0.000 1.141 583 L CA 0.541 55.300 54.840 -0.135 0.000 0.877 583 L CB -0.726 41.270 42.059 -0.105 0.000 1.009 583 L HN 0.629 nan 8.230 nan 0.000 0.447 584 A N -1.202 121.561 122.820 -0.096 0.000 2.415 584 A HA 0.174 4.494 4.320 -0.001 0.000 0.248 584 A C 1.065 178.610 177.584 -0.065 0.000 1.299 584 A CA -0.059 51.936 52.037 -0.071 0.000 0.899 584 A CB -0.435 18.529 19.000 -0.061 0.000 0.997 584 A HN 0.436 nan 8.150 nan 0.000 0.506 585 N N 0.275 118.930 118.700 -0.075 0.000 2.741 585 N HA -0.130 4.610 4.740 -0.001 0.000 0.251 585 N C -1.010 174.462 175.510 -0.065 0.000 1.112 585 N CA 0.657 53.668 53.050 -0.066 0.000 0.750 585 N CB -1.195 37.262 38.487 -0.050 0.000 1.119 585 N HN 0.612 nan 8.380 nan 0.000 0.561 586 N N 1.752 120.411 118.700 -0.069 0.000 2.458 586 N HA 0.238 4.978 4.740 -0.001 0.000 0.270 586 N C -2.269 173.181 175.510 -0.100 0.000 1.102 586 N CA -0.689 52.316 53.050 -0.074 0.000 0.967 586 N CB 0.640 39.093 38.487 -0.057 0.000 1.078 586 N HN 0.211 nan 8.380 nan 0.000 0.471 587 P HA 0.036 nan 4.420 nan 0.000 0.269 587 P C -0.444 176.726 177.300 -0.216 0.000 1.209 587 P CA -0.070 62.864 63.100 -0.276 0.000 0.776 587 P CB 0.823 32.111 31.700 -0.686 0.000 0.876 588 V N 2.840 122.670 119.914 -0.140 0.000 2.540 588 V HA 0.177 4.297 4.120 -0.001 0.000 0.302 588 V C 0.374 176.462 176.094 -0.010 0.000 1.035 588 V CA -0.804 61.472 62.300 -0.040 0.000 0.873 588 V CB 1.641 33.463 31.823 -0.002 0.000 0.992 588 V HN 0.443 nan 8.190 nan 0.000 0.428 589 E N 3.139 123.371 120.200 0.054 0.000 2.415 589 E HA 0.503 4.852 4.350 -0.001 0.000 0.263 589 E C 0.066 176.741 176.600 0.125 0.000 0.995 589 E CA 0.198 56.663 56.400 0.108 0.000 0.915 589 E CB 1.457 31.224 29.700 0.111 0.000 0.951 589 E HN 0.825 nan 8.360 nan 0.000 0.449 590 A N 3.132 126.016 122.820 0.107 0.000 2.479 590 A HA 0.541 4.861 4.320 -0.001 0.000 0.296 590 A C -0.849 176.757 177.584 0.036 0.000 1.121 590 A CA -0.692 51.417 52.037 0.119 0.000 0.743 590 A CB 1.844 20.911 19.000 0.113 0.000 1.323 590 A HN 0.535 nan 8.150 nan 0.000 0.415 591 Q N 0.872 120.699 119.800 0.045 0.000 2.356 591 Q HA 0.648 4.988 4.340 -0.001 0.000 0.270 591 Q C -1.996 173.992 176.000 -0.021 0.000 1.058 591 Q CA -0.533 55.251 55.803 -0.032 0.000 0.802 591 Q CB 2.132 30.886 28.738 0.027 0.000 1.303 591 Q HN 0.568 nan 8.270 nan 0.000 0.444 592 V N 2.534 122.360 119.914 -0.147 0.000 2.547 592 V HA 0.604 4.723 4.120 -0.001 0.000 0.299 592 V C -0.519 175.733 176.094 0.264 0.000 1.040 592 V CA -0.292 62.034 62.300 0.043 0.000 0.913 592 V CB 1.930 33.734 31.823 -0.031 0.000 0.992 592 V HN 0.868 nan 8.190 nan 0.000 0.449 593 S N 4.636 120.526 115.700 0.316 0.000 2.632 593 S HA 0.689 5.158 4.470 -0.001 0.000 0.289 593 S C -2.772 171.870 174.600 0.070 0.000 1.115 593 S CA -1.104 57.259 58.200 0.271 0.000 0.889 593 S CB 2.466 65.782 63.200 0.192 0.000 1.116 593 S HN 0.532 nan 8.310 nan 0.000 0.486 594 P HA 0.309 nan 4.420 nan 0.000 0.275 594 P C -1.188 175.798 177.300 -0.523 0.000 1.266 594 P CA -0.536 62.174 63.100 -0.650 0.000 0.793 594 P CB 0.412 31.349 31.700 -1.272 0.000 1.074 595 V N 1.233 120.771 119.914 -0.626 0.000 2.333 595 V HA 0.212 4.332 4.120 -0.001 0.000 0.274 595 V C -0.683 175.115 176.094 -0.494 0.000 1.028 595 V CA -0.229 61.801 62.300 -0.451 0.000 0.851 595 V CB -0.209 31.260 31.823 -0.589 0.000 1.000 595 V HN 0.507 nan 8.190 nan 0.000 0.456 596 W N 3.840 125.060 121.300 -0.134 0.000 2.391 596 W HA 0.619 5.279 4.660 -0.001 0.000 0.311 596 W C 0.528 176.975 176.519 -0.121 0.000 1.087 596 W CA -0.307 56.938 57.345 -0.165 0.000 1.209 596 W CB 1.801 31.171 29.460 -0.151 0.000 1.273 596 W HN 0.596 nan 8.180 nan 0.000 0.482 597 S N 1.592 117.334 115.700 0.069 0.000 2.599 597 S HA 0.669 5.139 4.470 -0.001 0.000 0.294 597 S C -1.474 172.976 174.600 -0.249 0.000 1.094 597 S CA -0.966 57.242 58.200 0.014 0.000 0.931 597 S CB 1.450 64.680 63.200 0.050 0.000 1.093 597 S HN 0.408 nan 8.310 nan 0.000 0.488 598 W N 0.990 122.043 121.300 -0.411 0.000 2.606 598 W HA 0.588 5.247 4.660 -0.001 0.000 0.332 598 W C 0.052 176.090 176.519 -0.801 0.000 1.052 598 W CA -0.242 56.838 57.345 -0.441 0.000 1.223 598 W CB 1.217 30.545 29.460 -0.220 0.000 1.383 598 W HN 0.639 nan 8.180 nan 0.000 0.524 599 H N 1.298 120.421 119.070 0.089 0.000 2.771 599 H HA 0.096 4.652 4.556 -0.001 0.000 0.361 599 H C -1.052 174.414 175.328 0.230 0.000 1.108 599 H CA -0.964 55.146 56.048 0.103 0.000 1.201 599 H CB 1.834 31.598 29.762 0.003 0.000 1.681 599 H HN 0.368 nan 8.280 nan 0.000 0.534 600 H N 2.448 121.645 119.070 0.213 0.000 3.089 600 H HA -0.002 4.553 4.556 -0.001 0.000 0.262 600 H C -0.333 175.123 175.328 0.214 0.000 1.160 600 H CA -0.297 55.866 56.048 0.192 0.000 1.482 600 H CB -0.090 29.741 29.762 0.115 0.000 1.511 600 H HN 0.451 nan 8.280 nan 0.000 0.483 601 D N 4.206 124.722 120.400 0.193 0.000 2.489 601 D HA -0.056 4.584 4.640 -0.001 0.000 0.237 601 D C 0.333 176.498 176.300 -0.226 0.000 1.212 601 D CA 0.045 54.085 54.000 0.067 0.000 1.058 601 D CB -0.192 40.655 40.800 0.078 0.000 1.098 601 D HN 0.671 nan 8.370 nan 0.000 0.509 602 T N 1.136 115.470 114.554 -0.367 0.000 3.802 602 T HA 0.058 4.407 4.350 -0.001 0.000 0.243 602 T C 1.282 175.892 174.700 -0.150 0.000 0.934 602 T CA -0.298 61.581 62.100 -0.368 0.000 0.931 602 T CB 0.048 68.739 68.868 -0.295 0.000 1.167 602 T HN 0.257 nan 8.240 nan 0.000 0.655 603 L N 0.610 121.765 121.223 -0.113 0.000 2.688 603 L HA 0.220 4.560 4.340 -0.001 0.000 0.216 603 L C 2.121 178.953 176.870 -0.062 0.000 1.036 603 L CA 1.071 55.868 54.840 -0.071 0.000 0.906 603 L CB -0.734 41.288 42.059 -0.062 0.000 1.501 603 L HN 0.563 nan 8.230 nan 0.000 0.489 604 T N -3.438 111.070 114.554 -0.077 0.000 3.174 604 T HA 0.128 4.477 4.350 -0.001 0.000 0.269 604 T C 0.437 175.121 174.700 -0.027 0.000 1.017 604 T CA -0.313 61.749 62.100 -0.063 0.000 0.899 604 T CB 0.104 68.909 68.868 -0.104 0.000 1.077 604 T HN 0.007 nan 8.240 nan 0.000 0.552 605 K N 2.423 122.813 120.400 -0.016 0.000 3.356 605 K HA -0.141 4.179 4.320 -0.001 0.000 0.270 605 K C 0.247 176.939 176.600 0.152 0.000 0.901 605 K CA 1.414 57.741 56.287 0.067 0.000 0.688 605 K CB -2.651 29.898 32.500 0.082 0.000 1.460 605 K HN 0.929 nan 8.250 nan 0.000 0.458 606 T N -3.040 111.611 114.554 0.162 0.000 2.901 606 T HA 0.783 5.133 4.350 -0.001 0.000 0.293 606 T C 0.182 175.130 174.700 0.414 0.000 1.084 606 T CA -1.079 61.156 62.100 0.225 0.000 1.008 606 T CB 1.995 70.936 68.868 0.121 0.000 1.170 606 T HN 0.107 nan 8.240 nan 0.000 0.509 607 I N 3.907 124.718 120.570 0.401 0.000 2.330 607 I HA 0.382 4.551 4.170 -0.001 0.000 0.286 607 I C -0.035 176.429 176.117 0.578 0.000 1.025 607 I CA -0.516 61.058 61.300 0.456 0.000 1.197 607 I CB 0.455 38.607 38.000 0.254 0.000 1.358 607 I HN 0.742 nan 8.210 nan 0.000 0.467 608 H N 6.873 126.135 119.070 0.321 0.000 2.894 608 H HA 0.655 5.210 4.556 -0.001 0.000 0.368 608 H C -3.238 171.916 175.328 -0.289 0.000 1.181 608 H CA -3.156 52.941 56.048 0.081 0.000 1.146 608 H CB 1.600 31.383 29.762 0.036 0.000 1.839 608 H HN 0.137 nan 8.280 nan 0.000 0.557 609 P HA 0.272 nan 4.420 nan 0.000 0.284 609 P C -0.874 176.187 177.300 -0.399 0.000 1.258 609 P CA -0.495 61.920 63.100 -1.142 0.000 0.824 609 P CB 1.971 32.748 31.700 -1.538 0.000 1.038 610 Q N 0.205 119.940 119.800 -0.109 0.000 2.347 610 Q HA 0.593 4.933 4.340 -0.001 0.000 0.271 610 Q C -0.141 175.882 176.000 0.039 0.000 1.064 610 Q CA -0.845 54.985 55.803 0.045 0.000 0.800 610 Q CB 2.653 31.382 28.738 -0.015 0.000 1.304 610 Q HN 0.562 nan 8.270 nan 0.000 0.438 611 G N 0.661 109.345 108.800 -0.193 0.000 2.371 611 G HA2 0.334 4.293 3.960 -0.001 0.000 0.326 611 G HA3 0.334 4.293 3.960 -0.001 0.000 0.326 611 G C -0.418 174.187 174.900 -0.492 0.000 1.127 611 G CA -0.336 44.304 45.100 -0.765 0.000 0.885 611 G HN 0.411 nan 8.290 nan 0.000 0.477 612 S N -0.240 115.133 115.700 -0.544 0.000 2.562 612 S HA 0.274 4.743 4.470 -0.001 0.000 0.281 612 S C 1.567 175.916 174.600 -0.418 0.000 1.333 612 S CA 0.382 58.315 58.200 -0.444 0.000 1.052 612 S CB 0.675 63.554 63.200 -0.535 0.000 0.884 612 S HN 0.928 nan 8.310 nan 0.000 0.506 613 T N -0.104 114.277 114.554 -0.289 0.000 3.054 613 T HA 0.157 4.506 4.350 -0.001 0.000 0.255 613 T C 1.124 175.722 174.700 -0.170 0.000 1.035 613 T CA 0.423 62.419 62.100 -0.172 0.000 0.941 613 T CB -0.148 68.667 68.868 -0.088 0.000 1.026 613 T HN 0.694 nan 8.240 nan 0.000 0.533 614 T N -1.098 113.270 114.554 -0.312 0.000 2.975 614 T HA 0.347 4.697 4.350 -0.001 0.000 0.261 614 T C 0.254 174.729 174.700 -0.375 0.000 0.984 614 T CA -0.484 61.473 62.100 -0.238 0.000 0.911 614 T CB 0.095 68.870 68.868 -0.154 0.000 1.127 614 T HN 0.655 nan 8.240 nan 0.000 0.514 615 K N -0.209 119.742 120.400 -0.747 0.000 2.533 615 K HA 0.681 5.001 4.320 -0.001 0.000 0.272 615 K C -2.018 173.829 176.600 -1.255 0.000 0.985 615 K CA -1.098 54.746 56.287 -0.738 0.000 0.876 615 K CB 1.558 33.794 32.500 -0.440 0.000 1.452 615 K HN 0.110 nan 8.250 nan 0.000 0.439 616 Y N -0.440 119.789 120.300 -0.119 0.000 2.638 616 Y HA 0.497 5.047 4.550 -0.001 0.000 0.339 616 Y C -0.520 175.402 175.900 0.037 0.000 1.084 616 Y CA -1.223 56.834 58.100 -0.073 0.000 1.068 616 Y CB 2.190 40.668 38.460 0.031 0.000 1.294 616 Y HN 0.327 nan 8.280 nan 0.000 0.480 617 R N 1.430 122.075 120.500 0.243 0.000 2.387 617 R HA 0.600 4.940 4.340 -0.001 0.000 0.314 617 R C -1.390 175.078 176.300 0.280 0.000 0.958 617 R CA -0.679 55.604 56.100 0.304 0.000 0.846 617 R CB 1.969 32.424 30.300 0.258 0.000 1.147 617 R HN 0.643 nan 8.270 nan 0.000 0.447 618 I N 3.945 124.699 120.570 0.308 0.000 2.412 618 I HA 0.443 4.613 4.170 -0.001 0.000 0.296 618 I C -1.088 175.203 176.117 0.289 0.000 0.987 618 I CA -0.777 60.693 61.300 0.285 0.000 1.180 618 I CB 1.094 39.279 38.000 0.308 0.000 1.340 618 I HN 0.528 nan 8.210 nan 0.000 0.455 619 I N 7.978 128.689 120.570 0.234 0.000 2.545 619 I HA 0.539 4.709 4.170 -0.001 0.000 0.292 619 I C -1.014 175.238 176.117 0.224 0.000 1.040 619 I CA -0.428 60.954 61.300 0.136 0.000 1.068 619 I CB 1.734 39.777 38.000 0.072 0.000 1.251 619 I HN 0.521 nan 8.210 nan 0.000 0.424 620 F N 2.552 122.523 119.950 0.036 0.000 2.713 620 F HA 0.588 5.115 4.527 -0.001 0.000 0.311 620 F C -1.150 174.630 175.800 -0.032 0.000 1.141 620 F CA -1.276 56.725 58.000 0.001 0.000 0.939 620 F CB 1.299 40.290 39.000 -0.015 0.000 1.325 620 F HN 0.236 nan 8.300 nan 0.000 0.453 621 K N 1.841 122.335 120.400 0.157 0.000 2.258 621 K HA 0.771 5.091 4.320 -0.001 0.000 0.284 621 K C -0.832 175.824 176.600 0.093 0.000 1.051 621 K CA -0.389 55.929 56.287 0.051 0.000 0.923 621 K CB 1.081 33.641 32.500 0.099 0.000 1.046 621 K HN 0.960 nan 8.250 nan 0.000 0.474 622 A N 4.520 127.316 122.820 -0.040 0.000 2.312 622 A HA 0.477 4.797 4.320 -0.001 0.000 0.326 622 A C -0.839 176.879 177.584 0.223 0.000 1.172 622 A CA -0.781 51.278 52.037 0.037 0.000 0.821 622 A CB 0.850 19.822 19.000 -0.047 0.000 1.166 622 A HN 0.874 nan 8.150 nan 0.000 0.493 623 R N 1.937 122.682 120.500 0.408 0.000 2.439 623 R HA 0.628 4.967 4.340 -0.001 0.000 0.310 623 R C -1.905 174.666 176.300 0.452 0.000 0.955 623 R CA -0.251 56.085 56.100 0.393 0.000 0.853 623 R CB 1.400 31.916 30.300 0.361 0.000 1.171 623 R HN 0.499 nan 8.270 nan 0.000 0.449 624 V N 5.938 126.066 119.914 0.358 0.000 2.656 624 V HA 0.461 4.580 4.120 -0.001 0.000 0.307 624 V C -2.275 173.681 176.094 -0.230 0.000 1.051 624 V CA -2.352 60.042 62.300 0.155 0.000 0.893 624 V CB 1.916 33.810 31.823 0.119 0.000 0.999 624 V HN 0.794 nan 8.190 nan 0.000 0.426 625 P HA 0.203 nan 4.420 nan 0.000 0.271 625 P C -2.739 174.047 177.300 -0.858 0.000 1.244 625 P CA -1.210 60.971 63.100 -1.532 0.000 0.793 625 P CB -0.212 30.880 31.700 -1.013 0.000 0.984 626 P HA 0.115 nan 4.420 nan 0.000 0.267 626 P C 0.045 177.297 177.300 -0.080 0.000 1.205 626 P CA 0.540 63.433 63.100 -0.346 0.000 0.765 626 P CB -0.207 31.370 31.700 -0.204 0.000 0.828 627 M N 0.509 120.102 119.600 -0.012 0.000 2.210 627 M HA -0.218 4.262 4.480 -0.001 0.000 0.198 627 M C 0.577 177.081 176.300 0.339 0.000 0.319 627 M CA 0.930 56.363 55.300 0.221 0.000 0.399 627 M CB -2.049 30.760 32.600 0.348 0.000 1.227 627 M HN 0.586 nan 8.290 nan 0.000 0.931 628 G N -0.285 108.582 108.800 0.112 0.000 3.086 628 G HA2 0.933 4.893 3.960 -0.001 0.000 0.282 628 G HA3 0.933 4.893 3.960 -0.001 0.000 0.282 628 G C -1.351 173.697 174.900 0.247 0.000 1.343 628 G CA -0.988 44.169 45.100 0.095 0.000 0.895 628 G HN 0.189 nan 8.290 nan 0.000 0.557 629 L N -0.582 120.768 121.223 0.212 0.000 2.371 629 L HA 0.815 5.155 4.340 -0.001 0.000 0.262 629 L C -0.324 176.654 176.870 0.179 0.000 1.006 629 L CA -1.098 53.890 54.840 0.245 0.000 0.818 629 L CB 2.502 44.710 42.059 0.247 0.000 1.354 629 L HN 0.770 nan 8.230 nan 0.000 0.415 630 A N 0.572 123.540 122.820 0.247 0.000 2.408 630 A HA 0.752 5.071 4.320 -0.001 0.000 0.295 630 A C -0.761 176.994 177.584 0.286 0.000 1.040 630 A CA -0.428 51.749 52.037 0.232 0.000 0.707 630 A CB 1.616 20.820 19.000 0.340 0.000 1.235 630 A HN 0.556 nan 8.150 nan 0.000 0.418 631 T N 2.360 116.992 114.554 0.131 0.000 2.837 631 T HA 0.616 4.965 4.350 -0.001 0.000 0.285 631 T C -0.947 173.723 174.700 -0.050 0.000 0.984 631 T CA 0.399 62.625 62.100 0.210 0.000 1.049 631 T CB 0.225 69.217 68.868 0.207 0.000 0.947 631 T HN 0.437 nan 8.240 nan 0.000 0.472 632 Y N 0.457 120.894 120.300 0.228 0.000 2.633 632 Y HA 0.670 5.220 4.550 -0.001 0.000 0.339 632 Y C -0.269 175.614 175.900 -0.028 0.000 1.045 632 Y CA -1.127 57.016 58.100 0.071 0.000 1.098 632 Y CB 1.691 40.173 38.460 0.038 0.000 1.296 632 Y HN 0.299 nan 8.280 nan 0.000 0.494 633 V N 3.085 122.995 119.914 -0.008 0.000 2.588 633 V HA 0.452 4.571 4.120 -0.001 0.000 0.304 633 V C -0.848 175.187 176.094 -0.099 0.000 1.042 633 V CA -0.977 61.239 62.300 -0.138 0.000 0.877 633 V CB 1.819 33.485 31.823 -0.261 0.000 0.996 633 V HN 0.483 nan 8.190 nan 0.000 0.425 634 L N 3.664 124.846 121.223 -0.069 0.000 2.296 634 L HA 0.705 5.044 4.340 -0.001 0.000 0.286 634 L C -0.153 176.716 176.870 -0.002 0.000 1.023 634 L CA -0.209 54.609 54.840 -0.036 0.000 0.812 634 L CB 1.861 43.919 42.059 -0.002 0.000 1.223 634 L HN 0.582 nan 8.230 nan 0.000 0.421 635 T N 3.567 118.129 114.554 0.014 0.000 2.848 635 T HA 0.484 4.833 4.350 -0.001 0.000 0.285 635 T C -0.239 174.502 174.700 0.068 0.000 0.995 635 T CA -0.367 61.754 62.100 0.034 0.000 0.970 635 T CB 2.414 71.293 68.868 0.018 0.000 0.976 635 T HN 0.399 nan 8.240 nan 0.000 0.441 636 I N 2.868 123.487 120.570 0.082 0.000 2.713 636 I HA 0.588 4.758 4.170 -0.001 0.000 0.300 636 I C 0.232 176.412 176.117 0.105 0.000 1.009 636 I CA 0.149 61.516 61.300 0.113 0.000 1.305 636 I CB 0.843 38.913 38.000 0.116 0.000 1.430 636 I HN 0.837 nan 8.210 nan 0.000 0.546 637 S N 2.896 118.679 115.700 0.137 0.000 2.720 637 S HA 0.348 4.817 4.470 -0.001 0.000 0.287 637 S C -0.213 174.421 174.600 0.057 0.000 1.168 637 S CA -0.506 57.741 58.200 0.078 0.000 0.832 637 S CB 1.455 64.688 63.200 0.054 0.000 1.166 637 S HN 0.709 nan 8.310 nan 0.000 0.493 638 D N -0.168 120.198 120.400 -0.058 0.000 2.339 638 D HA 0.173 4.812 4.640 -0.001 0.000 0.217 638 D C 0.604 176.591 176.300 -0.521 0.000 1.050 638 D CA 0.361 54.267 54.000 -0.156 0.000 0.856 638 D CB -0.090 40.646 40.800 -0.107 0.000 0.922 638 D HN 0.634 nan 8.370 nan 0.000 0.518 639 S N -1.349 113.974 115.700 -0.629 0.000 2.672 639 S HA 0.341 4.810 4.470 -0.001 0.000 0.271 639 S C -0.754 173.506 174.600 -0.567 0.000 1.171 639 S CA -1.181 56.423 58.200 -0.993 0.000 0.817 639 S CB 1.430 64.336 63.200 -0.491 0.000 1.150 639 S HN -0.060 nan 8.310 nan 0.000 0.478 640 K N 2.300 122.498 120.400 -0.336 0.000 2.440 640 K HA 0.129 4.449 4.320 -0.001 0.000 0.275 640 K C -2.120 174.552 176.600 0.119 0.000 1.082 640 K CA -0.374 55.999 56.287 0.144 0.000 1.135 640 K CB -0.411 32.171 32.500 0.137 0.000 0.864 640 K HN 0.426 nan 8.250 nan 0.000 0.479 641 P HA 0.015 nan 4.420 nan 0.000 0.276 641 P C 0.290 177.624 177.300 0.056 0.000 1.244 641 P CA -0.302 62.865 63.100 0.112 0.000 0.801 641 P CB 0.919 32.705 31.700 0.142 0.000 1.006 642 E N 0.486 120.673 120.200 -0.022 0.000 2.118 642 E HA -0.209 4.140 4.350 -0.001 0.000 0.195 642 E C 0.619 177.024 176.600 -0.325 0.000 0.992 642 E CA 1.090 57.372 56.400 -0.198 0.000 0.804 642 E CB -0.048 29.455 29.700 -0.330 0.000 0.741 642 E HN 0.463 nan 8.360 nan 0.000 0.458 643 H N -0.615 118.475 119.070 0.033 0.000 2.487 643 H HA 0.227 4.783 4.556 -0.001 0.000 0.290 643 H C -0.444 174.889 175.328 0.008 0.000 1.081 643 H CA 0.134 56.196 56.048 0.023 0.000 1.116 643 H CB 0.710 30.483 29.762 0.019 0.000 1.560 643 H HN -0.050 nan 8.280 nan 0.000 0.548 644 T N 1.424 116.015 114.554 0.061 0.000 2.824 644 T HA 0.338 4.687 4.350 -0.001 0.000 0.282 644 T C 0.303 174.905 174.700 -0.163 0.000 0.993 644 T CA -0.705 61.365 62.100 -0.049 0.000 0.967 644 T CB 2.250 71.081 68.868 -0.062 0.000 0.960 644 T HN 0.290 nan 8.240 nan 0.000 0.441 645 S N 2.099 117.642 115.700 -0.261 0.000 2.704 645 S HA 0.804 5.274 4.470 -0.001 0.000 0.305 645 S C -1.499 172.744 174.600 -0.594 0.000 1.107 645 S CA -0.823 57.234 58.200 -0.238 0.000 0.993 645 S CB 0.938 64.109 63.200 -0.047 0.000 1.110 645 S HN 0.572 nan 8.310 nan 0.000 0.534 646 Y N -0.052 120.265 120.300 0.029 0.000 2.391 646 Y HA 0.674 5.224 4.550 -0.001 0.000 0.341 646 Y C 0.578 176.544 175.900 0.110 0.000 0.965 646 Y CA -0.767 57.347 58.100 0.023 0.000 1.067 646 Y CB 1.728 40.086 38.460 -0.169 0.000 1.199 646 Y HN 1.045 nan 8.280 nan 0.000 0.450 647 A N 1.854 124.862 122.820 0.315 0.000 2.386 647 A HA 0.552 4.871 4.320 -0.001 0.000 0.248 647 A C 0.141 177.926 177.584 0.335 0.000 1.082 647 A CA -0.342 51.864 52.037 0.283 0.000 0.789 647 A CB -0.022 19.136 19.000 0.262 0.000 1.025 647 A HN 0.755 nan 8.150 nan 0.000 0.490 648 S N 1.633 117.463 115.700 0.217 0.000 2.617 648 S HA 0.605 5.075 4.470 -0.001 0.000 0.283 648 S C -0.458 174.230 174.600 0.148 0.000 1.189 648 S CA -0.953 57.356 58.200 0.183 0.000 1.036 648 S CB 0.934 64.200 63.200 0.110 0.000 1.014 648 S HN 0.673 nan 8.310 nan 0.000 0.522 649 N N 0.593 119.359 118.700 0.111 0.000 2.310 649 N HA 0.491 5.231 4.740 -0.001 0.000 0.292 649 N C -1.975 173.471 175.510 -0.106 0.000 1.049 649 N CA -0.526 52.540 53.050 0.027 0.000 0.849 649 N CB 2.101 40.686 38.487 0.165 0.000 1.532 649 N HN 0.582 nan 8.380 nan 0.000 0.479 650 L N 2.618 123.731 121.223 -0.184 0.000 2.376 650 L HA 0.499 4.838 4.340 -0.001 0.000 0.275 650 L C -1.518 175.179 176.870 -0.289 0.000 0.987 650 L CA -0.632 54.073 54.840 -0.225 0.000 0.828 650 L CB 1.501 43.484 42.059 -0.126 0.000 1.249 650 L HN 0.393 nan 8.230 nan 0.000 0.409 651 L N 6.756 127.761 121.223 -0.363 0.000 2.265 651 L HA 0.494 4.833 4.340 -0.001 0.000 0.289 651 L C -1.259 175.574 176.870 -0.062 0.000 1.033 651 L CA -0.334 54.349 54.840 -0.263 0.000 0.814 651 L CB 1.172 43.040 42.059 -0.318 0.000 1.203 651 L HN 0.657 nan 8.230 nan 0.000 0.423 652 L N 6.969 128.179 121.223 -0.022 0.000 2.276 652 L HA 0.592 4.932 4.340 -0.001 0.000 0.286 652 L C -0.444 176.467 176.870 0.067 0.000 1.024 652 L CA -0.599 54.262 54.840 0.035 0.000 0.826 652 L CB 1.133 43.202 42.059 0.017 0.000 1.211 652 L HN 0.677 nan 8.230 nan 0.000 0.422 653 R N 1.833 122.387 120.500 0.091 0.000 2.824 653 R HA 0.413 4.753 4.340 -0.001 0.000 0.267 653 R C -1.721 174.625 176.300 0.078 0.000 1.035 653 R CA -1.035 55.116 56.100 0.085 0.000 0.887 653 R CB 1.056 31.414 30.300 0.097 0.000 1.262 653 R HN 0.190 nan 8.270 nan 0.000 0.487 654 K N 1.593 122.027 120.400 0.055 0.000 2.154 654 K HA 0.201 4.520 4.320 -0.001 0.000 0.264 654 K C -0.073 176.541 176.600 0.024 0.000 1.008 654 K CA -0.171 56.139 56.287 0.039 0.000 0.937 654 K CB 0.551 33.069 32.500 0.030 0.000 1.002 654 K HN 0.866 nan 8.250 nan 0.000 0.469 655 N N 1.092 119.795 118.700 0.004 0.000 2.756 655 N HA -0.101 4.639 4.740 -0.001 0.000 0.248 655 N C -2.397 173.089 175.510 -0.040 0.000 1.062 655 N CA -0.283 52.754 53.050 -0.022 0.000 0.696 655 N CB -0.478 37.998 38.487 -0.017 0.000 0.946 655 N HN 0.419 nan 8.380 nan 0.000 0.548 656 P HA 0.224 nan 4.420 nan 0.000 0.274 656 P C -0.210 176.936 177.300 -0.257 0.000 1.237 656 P CA 0.185 63.222 63.100 -0.105 0.000 0.793 656 P CB 1.153 32.818 31.700 -0.059 0.000 0.977 657 T N -2.627 111.781 114.554 -0.244 0.000 2.930 657 T HA 0.485 4.835 4.350 -0.001 0.000 0.290 657 T C 0.318 174.825 174.700 -0.322 0.000 1.052 657 T CA -0.751 61.197 62.100 -0.254 0.000 1.017 657 T CB 0.723 69.529 68.868 -0.104 0.000 1.137 657 T HN 0.495 nan 8.240 nan 0.000 0.511 658 S N 0.882 116.444 115.700 -0.230 0.000 2.576 658 S HA 0.424 4.893 4.470 -0.001 0.000 0.272 658 S C -0.199 174.532 174.600 0.218 0.000 1.352 658 S CA -0.792 57.402 58.200 -0.010 0.000 1.021 658 S CB -0.280 62.929 63.200 0.015 0.000 0.887 658 S HN 0.704 nan 8.310 nan 0.000 0.542 659 L N 2.287 123.734 121.223 0.372 0.000 2.492 659 L HA 0.391 4.731 4.340 -0.001 0.000 0.258 659 L C -2.281 174.696 176.870 0.179 0.000 1.028 659 L CA -1.676 53.333 54.840 0.281 0.000 0.900 659 L CB 1.864 44.156 42.059 0.387 0.000 1.191 659 L HN 0.634 nan 8.230 nan 0.000 0.459 660 P HA 0.190 nan 4.420 nan 0.000 0.275 660 P C -0.239 177.060 177.300 -0.002 0.000 1.228 660 P CA -0.236 62.901 63.100 0.061 0.000 0.786 660 P CB 1.702 33.427 31.700 0.041 0.000 0.927 661 L N 1.176 122.407 121.223 0.014 0.000 3.291 661 L HA 0.296 4.636 4.340 -0.001 0.000 0.307 661 L C 1.427 178.358 176.870 0.101 0.000 1.303 661 L CA -0.154 54.669 54.840 -0.029 0.000 0.949 661 L CB 0.101 42.122 42.059 -0.064 0.000 1.375 661 L HN 0.739 nan 8.230 nan 0.000 0.596 662 G N 0.937 109.781 108.800 0.073 0.000 2.629 662 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.313 662 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.313 662 G C 0.578 175.554 174.900 0.127 0.000 1.217 662 G CA 0.663 45.832 45.100 0.116 0.000 0.994 662 G HN 0.457 nan 8.290 nan 0.000 0.549 663 Q N -0.324 119.563 119.800 0.144 0.000 2.403 663 Q HA 0.215 4.555 4.340 -0.001 0.000 0.203 663 Q C 0.521 176.405 176.000 -0.194 0.000 0.932 663 Q CA -0.131 55.654 55.803 -0.030 0.000 0.945 663 Q CB 0.337 29.001 28.738 -0.123 0.000 1.045 663 Q HN 0.484 nan 8.270 nan 0.000 0.511 664 Y N 3.573 123.749 120.300 -0.206 0.000 2.721 664 Y HA -0.045 4.505 4.550 -0.001 0.000 0.329 664 Y C -1.313 174.463 175.900 -0.207 0.000 1.211 664 Y CA -1.551 56.388 58.100 -0.268 0.000 1.512 664 Y CB 0.823 39.260 38.460 -0.039 0.000 1.249 664 Y HN 0.069 nan 8.280 nan 0.000 0.549 665 P HA -0.113 nan 4.420 nan 0.000 0.233 665 P C -0.537 176.607 177.300 -0.260 0.000 1.167 665 P CA 0.871 63.714 63.100 -0.429 0.000 0.770 665 P CB 0.326 31.672 31.700 -0.590 0.000 0.837 666 E N 0.740 120.814 120.200 -0.209 0.000 2.176 666 E HA 0.183 4.533 4.350 -0.001 0.000 0.267 666 E C -0.721 176.004 176.600 0.208 0.000 0.893 666 E CA -0.846 55.576 56.400 0.037 0.000 0.761 666 E CB 0.916 30.668 29.700 0.087 0.000 1.133 666 E HN -0.128 nan 8.360 nan 0.000 0.409 667 D N 2.805 123.288 120.400 0.140 0.000 2.424 667 D HA 0.050 4.689 4.640 -0.001 0.000 0.244 667 D C -0.018 176.364 176.300 0.136 0.000 1.134 667 D CA 0.008 54.098 54.000 0.150 0.000 0.881 667 D CB 1.314 42.189 40.800 0.125 0.000 1.191 667 D HN 0.186 nan 8.370 nan 0.000 0.445 668 V N 2.827 122.810 119.914 0.116 0.000 2.740 668 V HA -0.023 4.097 4.120 -0.001 0.000 0.303 668 V C 0.688 176.666 176.094 -0.192 0.000 1.054 668 V CA 0.200 62.474 62.300 -0.043 0.000 1.106 668 V CB 0.829 32.589 31.823 -0.106 0.000 0.957 668 V HN 0.353 nan 8.190 nan 0.000 0.486 669 K N 2.853 123.079 120.400 -0.289 0.000 2.118 669 K HA 0.712 5.032 4.320 -0.001 0.000 0.254 669 K C -0.991 175.303 176.600 -0.509 0.000 0.961 669 K CA -0.221 55.944 56.287 -0.204 0.000 0.876 669 K CB 1.206 33.670 32.500 -0.061 0.000 1.077 669 K HN 0.395 nan 8.250 nan 0.000 0.440 670 F N -0.515 119.450 119.950 0.026 0.000 2.611 670 F HA 0.814 5.341 4.527 -0.001 0.000 0.324 670 F C 0.643 176.451 175.800 0.013 0.000 1.061 670 F CA -0.589 57.419 58.000 0.014 0.000 0.954 670 F CB 2.613 41.623 39.000 0.017 0.000 1.301 670 F HN 0.519 nan 8.300 nan 0.000 0.482 671 G N 0.127 109.046 108.800 0.198 0.000 2.523 671 G HA2 0.386 4.346 3.960 -0.001 0.000 0.291 671 G HA3 0.386 4.346 3.960 -0.001 0.000 0.291 671 G C -2.286 172.671 174.900 0.095 0.000 1.450 671 G CA -0.837 44.332 45.100 0.116 0.000 0.790 671 G HN 0.361 nan 8.290 nan 0.000 0.496 672 D N 0.696 121.138 120.400 0.070 0.000 2.313 672 D HA 0.460 5.100 4.640 -0.001 0.000 0.247 672 D C -1.992 174.340 176.300 0.053 0.000 1.094 672 D CA -0.837 53.198 54.000 0.059 0.000 0.925 672 D CB 1.253 42.082 40.800 0.047 0.000 1.188 672 D HN -0.010 nan 8.370 nan 0.000 0.430 673 P HA 0.050 nan 4.420 nan 0.000 0.263 673 P C -0.451 176.877 177.300 0.048 0.000 1.175 673 P CA 0.492 63.622 63.100 0.050 0.000 0.761 673 P CB 0.387 32.117 31.700 0.051 0.000 0.794 674 R N 0.343 120.872 120.500 0.050 0.000 2.690 674 R HA 0.409 4.749 4.340 -0.001 0.000 0.269 674 R C -1.148 175.190 176.300 0.063 0.000 1.037 674 R CA -1.007 55.124 56.100 0.051 0.000 0.877 674 R CB 1.045 31.372 30.300 0.045 0.000 1.255 674 R HN 0.217 nan 8.270 nan 0.000 0.467 675 E N 1.704 121.945 120.200 0.068 0.000 2.398 675 E HA 0.266 4.615 4.350 -0.001 0.000 0.263 675 E C 0.005 176.657 176.600 0.087 0.000 1.046 675 E CA 0.037 56.489 56.400 0.088 0.000 0.908 675 E CB 0.871 30.613 29.700 0.071 0.000 0.963 675 E HN 0.454 nan 8.360 nan 0.000 0.431 676 I N -2.087 118.561 120.570 0.129 0.000 3.095 676 I HA 0.634 4.804 4.170 -0.001 0.000 0.310 676 I C -0.848 175.384 176.117 0.190 0.000 1.196 676 I CA -0.853 60.518 61.300 0.118 0.000 0.985 676 I CB 2.434 40.474 38.000 0.068 0.000 1.250 676 I HN 0.316 nan 8.210 nan 0.000 0.446 677 S N 3.476 119.262 115.700 0.145 0.000 2.541 677 S HA 0.844 5.314 4.470 -0.001 0.000 0.280 677 S C -1.286 173.404 174.600 0.149 0.000 1.112 677 S CA -0.536 57.759 58.200 0.159 0.000 0.925 677 S CB 1.476 64.713 63.200 0.062 0.000 1.067 677 S HN 0.665 nan 8.310 nan 0.000 0.479 678 L N 3.038 124.376 121.223 0.192 0.000 2.376 678 L HA 0.732 5.072 4.340 -0.001 0.000 0.258 678 L C -0.397 176.548 176.870 0.124 0.000 1.013 678 L CA -0.835 54.091 54.840 0.143 0.000 0.822 678 L CB 2.414 44.560 42.059 0.146 0.000 1.388 678 L HN 0.700 nan 8.230 nan 0.000 0.413 679 R N 1.228 121.784 120.500 0.093 0.000 2.510 679 R HA 0.605 4.945 4.340 -0.001 0.000 0.287 679 R C -2.085 174.256 176.300 0.069 0.000 1.084 679 R CA -0.452 55.697 56.100 0.081 0.000 0.934 679 R CB 2.130 32.472 30.300 0.071 0.000 1.201 679 R HN 0.404 nan 8.270 nan 0.000 0.431 680 V N 4.690 124.644 119.914 0.066 0.000 2.427 680 V HA 0.551 4.670 4.120 -0.001 0.000 0.286 680 V C 1.172 177.296 176.094 0.050 0.000 1.034 680 V CA 0.747 63.082 62.300 0.058 0.000 0.893 680 V CB 1.114 32.971 31.823 0.057 0.000 0.982 680 V HN 1.103 nan 8.190 nan 0.000 0.452 681 G N 5.131 113.959 108.800 0.047 0.000 2.614 681 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.303 681 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.303 681 G C 0.604 175.526 174.900 0.038 0.000 1.270 681 G CA 0.690 45.814 45.100 0.041 0.000 0.988 681 G HN 0.675 nan 8.290 nan 0.000 0.551 682 N N 2.198 120.918 118.700 0.033 0.000 2.280 682 N HA 0.189 4.929 4.740 -0.001 0.000 0.192 682 N C 1.466 176.992 175.510 0.027 0.000 1.109 682 N CA 1.013 54.081 53.050 0.028 0.000 0.855 682 N CB 0.160 38.661 38.487 0.023 0.000 0.974 682 N HN 0.833 nan 8.380 nan 0.000 0.482 683 G N 2.335 111.153 108.800 0.031 0.000 2.527 683 G HA2 0.080 4.040 3.960 -0.001 0.000 0.279 683 G HA3 0.080 4.040 3.960 -0.001 0.000 0.279 683 G C -2.171 172.749 174.900 0.032 0.000 1.374 683 G CA -0.478 44.639 45.100 0.029 0.000 1.053 683 G HN 0.036 nan 8.290 nan 0.000 0.539 684 P HA 0.166 nan 4.420 nan 0.000 0.271 684 P C -0.490 176.840 177.300 0.049 0.000 1.233 684 P CA 0.102 63.221 63.100 0.032 0.000 0.789 684 P CB 0.659 32.370 31.700 0.018 0.000 0.951 685 T N 1.855 116.442 114.554 0.056 0.000 2.779 685 T HA 0.500 4.850 4.350 -0.001 0.000 0.280 685 T C -0.036 174.679 174.700 0.024 0.000 0.987 685 T CA -0.438 61.703 62.100 0.067 0.000 0.966 685 T CB 0.244 69.172 68.868 0.100 0.000 0.933 685 T HN 0.173 nan 8.240 nan 0.000 0.442 686 L N 2.407 123.647 121.223 0.028 0.000 2.334 686 L HA 0.830 5.170 4.340 -0.001 0.000 0.276 686 L C 0.177 176.963 176.870 -0.141 0.000 1.014 686 L CA -1.254 53.520 54.840 -0.111 0.000 0.815 686 L CB 1.513 43.498 42.059 -0.123 0.000 1.268 686 L HN 0.635 nan 8.230 nan 0.000 0.428 687 A N 2.712 125.330 122.820 -0.337 0.000 2.330 687 A HA 0.861 5.181 4.320 -0.001 0.000 0.327 687 A C -1.178 176.182 177.584 -0.374 0.000 1.155 687 A CA -0.302 51.610 52.037 -0.209 0.000 0.803 687 A CB 0.747 19.606 19.000 -0.235 0.000 1.208 687 A HN 0.494 nan 8.150 nan 0.000 0.477 688 F N 0.879 120.838 119.950 0.015 0.000 2.546 688 F HA 0.545 5.072 4.527 -0.001 0.000 0.320 688 F C 1.120 176.953 175.800 0.056 0.000 1.076 688 F CA -0.308 57.726 58.000 0.056 0.000 0.928 688 F CB 2.119 41.156 39.000 0.062 0.000 1.189 688 F HN 0.680 nan 8.300 nan 0.000 0.465 689 S N 0.170 116.018 115.700 0.246 0.000 2.617 689 S HA 0.109 4.579 4.470 -0.001 0.000 0.259 689 S C 0.949 175.644 174.600 0.158 0.000 1.301 689 S CA -0.089 58.209 58.200 0.162 0.000 0.984 689 S CB 0.618 63.900 63.200 0.136 0.000 0.954 689 S HN 0.834 nan 8.310 nan 0.000 0.572 690 E N -0.429 119.835 120.200 0.107 0.000 2.478 690 E HA -0.131 4.218 4.350 -0.001 0.000 0.198 690 E C 1.040 177.692 176.600 0.086 0.000 1.046 690 E CA 0.623 57.076 56.400 0.088 0.000 0.870 690 E CB -0.408 29.331 29.700 0.066 0.000 0.818 690 E HN 0.739 nan 8.360 nan 0.000 0.527 691 Q N 0.251 120.111 119.800 0.099 0.000 2.280 691 Q HA 0.229 4.568 4.340 -0.001 0.000 0.202 691 Q C 0.883 176.952 176.000 0.116 0.000 0.903 691 Q CA 0.493 56.351 55.803 0.091 0.000 0.948 691 Q CB 0.951 29.736 28.738 0.078 0.000 1.058 691 Q HN 0.455 nan 8.270 nan 0.000 0.493 692 G N 0.218 109.110 108.800 0.153 0.000 2.143 692 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.248 692 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.248 692 G C -0.347 174.766 174.900 0.355 0.000 0.991 692 G CA -0.132 45.074 45.100 0.176 0.000 0.689 692 G HN 0.248 nan 8.290 nan 0.000 0.522 693 L N -0.310 121.142 121.223 0.382 0.000 2.331 693 L HA 0.740 5.079 4.340 -0.001 0.000 0.275 693 L C 0.770 177.897 176.870 0.430 0.000 1.022 693 L CA -1.282 53.839 54.840 0.468 0.000 0.812 693 L CB 1.471 43.723 42.059 0.321 0.000 1.257 693 L HN 0.153 nan 8.230 nan 0.000 0.435 694 L N 2.405 123.871 121.223 0.406 0.000 2.514 694 L HA -0.014 4.326 4.340 -0.001 0.000 0.280 694 L C 0.839 177.696 176.870 -0.021 0.000 1.223 694 L CA 1.131 55.934 54.840 -0.061 0.000 0.864 694 L CB 0.019 42.127 42.059 0.082 0.000 1.118 694 L HN 0.694 nan 8.230 nan 0.000 0.494 695 K N 0.926 121.226 120.400 -0.168 0.000 2.493 695 K HA 0.244 4.564 4.320 -0.001 0.000 0.201 695 K C -0.428 175.968 176.600 -0.340 0.000 1.355 695 K CA 0.612 56.899 56.287 0.000 0.000 0.953 695 K CB 0.617 33.159 32.500 0.070 0.000 1.316 695 K HN 0.840 nan 8.250 nan 0.000 0.522 696 S N -0.384 115.114 115.700 -0.337 0.000 2.567 696 S HA 0.523 4.992 4.470 -0.001 0.000 0.270 696 S C -1.208 173.231 174.600 -0.268 0.000 1.152 696 S CA -0.997 57.012 58.200 -0.318 0.000 0.835 696 S CB 1.441 64.512 63.200 -0.216 0.000 1.115 696 S HN 0.069 nan 8.310 nan 0.000 0.459 697 I N 1.450 121.913 120.570 -0.178 0.000 2.499 697 I HA 0.460 4.629 4.170 -0.001 0.000 0.288 697 I C -0.662 175.461 176.117 0.010 0.000 1.048 697 I CA -0.370 60.870 61.300 -0.102 0.000 1.062 697 I CB 2.170 40.102 38.000 -0.112 0.000 1.238 697 I HN 0.778 nan 8.210 nan 0.000 0.426 698 Q N 6.366 126.218 119.800 0.086 0.000 2.357 698 Q HA 0.416 4.755 4.340 -0.001 0.000 0.266 698 Q C 0.015 176.044 176.000 0.048 0.000 1.021 698 Q CA -0.556 55.325 55.803 0.131 0.000 0.784 698 Q CB 1.585 30.509 28.738 0.310 0.000 1.243 698 Q HN 0.790 nan 8.270 nan 0.000 0.465 699 L N 2.011 123.239 121.223 0.008 0.000 2.012 699 L HA -0.082 4.258 4.340 -0.001 0.000 0.210 699 L C 1.089 177.960 176.870 0.002 0.000 1.073 699 L CA 1.579 56.417 54.840 -0.003 0.000 0.748 699 L CB -0.513 41.535 42.059 -0.019 0.000 0.891 699 L HN 0.695 nan 8.230 nan 0.000 0.431 700 T N -6.201 108.350 114.554 -0.005 0.000 2.864 700 T HA 0.226 4.576 4.350 -0.001 0.000 0.289 700 T C 0.548 175.244 174.700 -0.006 0.000 1.082 700 T CA -0.873 61.225 62.100 -0.003 0.000 1.009 700 T CB 1.778 70.639 68.868 -0.012 0.000 1.234 700 T HN -0.132 nan 8.240 nan 0.000 0.526 701 Q N 1.043 120.843 119.800 -0.000 0.000 2.096 701 Q HA -0.189 4.150 4.340 -0.001 0.000 0.208 701 Q C 1.879 177.862 176.000 -0.028 0.000 0.993 701 Q CA 2.587 58.389 55.803 -0.001 0.000 0.862 701 Q CB -0.412 28.328 28.738 0.004 0.000 0.915 701 Q HN 0.890 nan 8.270 nan 0.000 0.416 702 D N 0.223 120.602 120.400 -0.035 0.000 2.110 702 D HA -0.066 4.574 4.640 -0.001 0.000 0.202 702 D C 0.955 177.207 176.300 -0.080 0.000 0.975 702 D CA 0.727 54.697 54.000 -0.050 0.000 0.839 702 D CB -0.615 40.165 40.800 -0.034 0.000 0.996 702 D HN 0.115 nan 8.370 nan 0.000 0.464 703 S N 2.243 117.901 115.700 -0.070 0.000 2.540 703 S HA 0.077 4.547 4.470 -0.001 0.000 0.272 703 S C -2.042 172.474 174.600 -0.142 0.000 1.357 703 S CA -0.782 57.370 58.200 -0.080 0.000 1.011 703 S CB -0.081 63.087 63.200 -0.054 0.000 0.852 703 S HN 0.156 nan 8.310 nan 0.000 0.535 704 P HA 0.258 nan 4.420 nan 0.000 0.279 704 P C -0.894 176.321 177.300 -0.141 0.000 1.276 704 P CA -0.517 62.475 63.100 -0.179 0.000 0.801 704 P CB 0.353 32.001 31.700 -0.086 0.000 1.127 705 H N -0.273 118.777 119.070 -0.034 0.000 3.008 705 H HA 0.209 4.764 4.556 -0.001 0.000 0.268 705 H C -0.192 175.087 175.328 -0.081 0.000 1.323 705 H CA -0.441 55.575 56.048 -0.054 0.000 1.401 705 H CB -0.767 28.972 29.762 -0.038 0.000 1.556 705 H HN 0.019 nan 8.280 nan 0.000 0.502 706 V N 6.584 126.504 119.914 0.010 0.000 2.479 706 V HA 0.055 4.175 4.120 -0.001 0.000 0.281 706 V C -1.875 174.102 176.094 -0.195 0.000 1.031 706 V CA -1.364 60.886 62.300 -0.083 0.000 1.038 706 V CB 0.558 32.326 31.823 -0.092 0.000 0.981 706 V HN 0.501 nan 8.190 nan 0.000 0.478 707 P HA 0.210 nan 4.420 nan 0.000 0.270 707 P C -0.814 176.070 177.300 -0.694 0.000 1.242 707 P CA 0.245 63.028 63.100 -0.529 0.000 0.768 707 P CB 0.497 31.904 31.700 -0.488 0.000 0.820 708 V N 5.076 124.455 119.914 -0.892 0.000 2.559 708 V HA 0.233 4.353 4.120 -0.001 0.000 0.289 708 V C -0.794 174.855 176.094 -0.741 0.000 1.036 708 V CA -0.535 61.373 62.300 -0.654 0.000 0.887 708 V CB 1.082 32.639 31.823 -0.443 0.000 1.022 708 V HN 0.553 nan 8.190 nan 0.000 0.442 709 H N 4.067 122.964 119.070 -0.287 0.000 2.547 709 H HA 0.665 5.221 4.556 -0.001 0.000 0.342 709 H C -0.937 174.247 175.328 -0.240 0.000 1.048 709 H CA -0.532 55.394 56.048 -0.203 0.000 1.204 709 H CB 1.516 31.206 29.762 -0.120 0.000 1.493 709 H HN 0.455 nan 8.280 nan 0.000 0.511 710 F N 2.174 122.128 119.950 0.008 0.000 2.375 710 F HA 0.400 4.927 4.527 -0.001 0.000 0.333 710 F C 0.427 176.154 175.800 -0.121 0.000 1.104 710 F CA -0.179 57.758 58.000 -0.106 0.000 1.149 710 F CB 1.172 40.122 39.000 -0.083 0.000 1.190 710 F HN 0.403 nan 8.300 nan 0.000 0.533 711 K N 2.768 123.147 120.400 -0.035 0.000 2.542 711 K HA 0.496 4.815 4.320 -0.001 0.000 0.259 711 K C -2.058 174.391 176.600 -0.251 0.000 0.932 711 K CA -0.561 55.696 56.287 -0.050 0.000 0.820 711 K CB 1.250 33.738 32.500 -0.022 0.000 1.345 711 K HN 0.382 nan 8.250 nan 0.000 0.432 712 F N 3.888 123.812 119.950 -0.043 0.000 2.436 712 F HA 0.522 5.048 4.527 -0.001 0.000 0.340 712 F C -0.387 175.386 175.800 -0.046 0.000 1.113 712 F CA -0.562 57.409 58.000 -0.048 0.000 1.022 712 F CB 1.225 40.178 39.000 -0.078 0.000 1.128 712 F HN 0.245 nan 8.300 nan 0.000 0.466 713 L N 2.652 123.921 121.223 0.076 0.000 2.303 713 L HA 0.645 4.985 4.340 -0.001 0.000 0.256 713 L C -1.103 175.755 176.870 -0.021 0.000 1.034 713 L CA -1.007 53.824 54.840 -0.015 0.000 0.832 713 L CB 2.322 44.308 42.059 -0.122 0.000 1.403 713 L HN 0.498 nan 8.230 nan 0.000 0.419 714 K N -0.462 119.889 120.400 -0.082 0.000 2.371 714 K HA 0.682 5.002 4.320 -0.001 0.000 0.251 714 K C -1.784 174.744 176.600 -0.119 0.000 0.934 714 K CA -0.853 55.414 56.287 -0.034 0.000 0.798 714 K CB 1.873 34.392 32.500 0.031 0.000 1.204 714 K HN 0.219 nan 8.250 nan 0.000 0.427 715 Y N 0.242 120.604 120.300 0.103 0.000 2.457 715 Y HA 0.550 5.099 4.550 -0.001 0.000 0.333 715 Y C 0.877 176.829 175.900 0.087 0.000 1.119 715 Y CA -0.009 58.159 58.100 0.113 0.000 1.143 715 Y CB 2.289 40.882 38.460 0.222 0.000 1.230 715 Y HN 0.920 nan 8.280 nan 0.000 0.469 716 G N 0.420 109.358 108.800 0.230 0.000 3.075 716 G HA2 0.631 4.590 3.960 -0.001 0.000 0.253 716 G HA3 0.631 4.590 3.960 -0.001 0.000 0.253 716 G C -1.521 173.440 174.900 0.103 0.000 1.353 716 G CA -0.750 44.428 45.100 0.129 0.000 1.051 716 G HN 0.436 nan 8.290 nan 0.000 0.553 717 V N -0.145 119.799 119.914 0.050 0.000 2.815 717 V HA 0.470 4.590 4.120 -0.001 0.000 0.314 717 V C 0.136 176.212 176.094 -0.029 0.000 1.064 717 V CA -0.859 61.450 62.300 0.016 0.000 0.952 717 V CB 1.874 33.712 31.823 0.026 0.000 1.020 717 V HN 0.679 nan 8.190 nan 0.000 0.439 718 R N 1.334 121.795 120.500 -0.065 0.000 2.590 718 R HA 0.162 4.502 4.340 -0.001 0.000 0.274 718 R C 1.411 177.634 176.300 -0.129 0.000 1.061 718 R CA 0.437 56.461 56.100 -0.127 0.000 1.081 718 R CB 0.652 30.863 30.300 -0.149 0.000 0.984 718 R HN 0.961 nan 8.270 nan 0.000 0.448 719 S N 2.324 117.898 115.700 -0.209 0.000 2.345 719 S HA -0.113 4.356 4.470 -0.001 0.000 0.220 719 S C 0.752 175.305 174.600 -0.078 0.000 1.031 719 S CA 0.669 58.785 58.200 -0.140 0.000 0.996 719 S CB -0.387 62.730 63.200 -0.140 0.000 0.882 719 S HN 0.761 nan 8.310 nan 0.000 0.445 720 H N 0.353 119.423 119.070 0.001 0.000 2.621 720 H HA 0.687 5.243 4.556 -0.001 0.000 0.360 720 H C 0.647 175.972 175.328 -0.005 0.000 1.163 720 H CA -0.582 55.465 56.048 -0.002 0.000 1.194 720 H CB 1.240 31.001 29.762 -0.002 0.000 1.649 720 H HN 0.611 nan 8.280 nan 0.000 0.532 721 G N 1.686 110.561 108.800 0.124 0.000 2.472 721 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.205 721 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.205 721 G C -1.353 173.558 174.900 0.018 0.000 1.270 721 G CA -0.543 44.598 45.100 0.068 0.000 0.974 721 G HN 0.684 nan 8.290 nan 0.000 0.542 722 D N 1.324 121.725 120.400 0.001 0.000 2.390 722 D HA 0.542 5.181 4.640 -0.001 0.000 0.249 722 D C 0.812 177.097 176.300 -0.025 0.000 1.144 722 D CA 0.119 54.110 54.000 -0.014 0.000 0.880 722 D CB 0.719 41.507 40.800 -0.020 0.000 1.182 722 D HN 0.372 nan 8.370 nan 0.000 0.451 723 R N 0.944 121.432 120.500 -0.019 0.000 2.486 723 R HA 0.381 4.721 4.340 -0.001 0.000 0.286 723 R C 0.110 176.404 176.300 -0.010 0.000 0.999 723 R CA -0.753 55.338 56.100 -0.014 0.000 0.993 723 R CB 0.643 30.943 30.300 0.000 0.000 1.084 723 R HN 0.225 nan 8.270 nan 0.000 0.487 724 S N 0.022 115.724 115.700 0.003 0.000 2.573 724 S HA 0.544 5.013 4.470 -0.001 0.000 0.277 724 S C 0.579 175.202 174.600 0.038 0.000 1.346 724 S CA 0.312 58.531 58.200 0.032 0.000 1.034 724 S CB 0.921 64.169 63.200 0.080 0.000 0.879 724 S HN 0.728 nan 8.310 nan 0.000 0.528 725 G N -0.280 108.548 108.800 0.045 0.000 2.815 725 G HA2 0.583 4.542 3.960 -0.001 0.000 0.305 725 G HA3 0.583 4.542 3.960 -0.001 0.000 0.305 725 G C 0.530 175.461 174.900 0.051 0.000 1.277 725 G CA -0.118 45.015 45.100 0.056 0.000 0.795 725 G HN 0.707 nan 8.290 nan 0.000 0.528 726 A N -1.242 121.596 122.820 0.030 0.000 1.978 726 A HA 0.060 4.380 4.320 -0.001 0.000 0.220 726 A C 1.925 179.442 177.584 -0.112 0.000 1.170 726 A CA 2.135 54.129 52.037 -0.072 0.000 0.636 726 A CB -0.644 18.227 19.000 -0.215 0.000 0.810 726 A HN 0.604 nan 8.150 nan 0.000 0.448 727 Y N -0.725 119.533 120.300 -0.071 0.000 2.353 727 Y HA 0.337 4.886 4.550 -0.001 0.000 0.294 727 Y C 0.913 176.729 175.900 -0.139 0.000 1.135 727 Y CA -0.053 57.952 58.100 -0.158 0.000 1.176 727 Y CB -0.227 37.808 38.460 -0.708 0.000 1.124 727 Y HN 0.016 nan 8.280 nan 0.000 0.537 728 L N 0.738 121.938 121.223 -0.038 0.000 2.326 728 L HA 0.181 4.521 4.340 -0.001 0.000 0.278 728 L C -1.048 175.877 176.870 0.091 0.000 1.092 728 L CA -0.454 54.360 54.840 -0.043 0.000 0.810 728 L CB 0.738 42.716 42.059 -0.135 0.000 1.153 728 L HN 0.046 nan 8.230 nan 0.000 0.439 729 F N 5.057 124.951 119.950 -0.093 0.000 2.375 729 F HA 0.490 5.016 4.527 -0.001 0.000 0.361 729 F C -0.779 174.942 175.800 -0.132 0.000 1.117 729 F CA -1.206 56.697 58.000 -0.161 0.000 1.037 729 F CB 0.654 39.491 39.000 -0.272 0.000 1.192 729 F HN 0.214 nan 8.300 nan 0.000 0.452 730 L N 9.086 130.181 121.223 -0.214 0.000 2.529 730 L HA 0.335 4.675 4.340 -0.001 0.000 0.246 730 L C -2.396 174.279 176.870 -0.324 0.000 1.394 730 L CA -1.784 52.888 54.840 -0.280 0.000 0.906 730 L CB 1.133 43.122 42.059 -0.116 0.000 1.170 730 L HN 0.388 nan 8.230 nan 0.000 0.501 731 P HA 0.036 nan 4.420 nan 0.000 0.271 731 P C -0.467 176.730 177.300 -0.172 0.000 1.216 731 P CA -0.266 62.616 63.100 -0.363 0.000 0.776 731 P CB 0.558 31.899 31.700 -0.598 0.000 0.881 732 N N 1.719 120.386 118.700 -0.054 0.000 3.259 732 N HA 0.278 5.018 4.740 -0.001 0.000 0.308 732 N C 0.696 176.203 175.510 -0.005 0.000 1.334 732 N CA -0.125 52.897 53.050 -0.046 0.000 1.202 732 N CB -0.910 37.554 38.487 -0.039 0.000 1.485 732 N HN 0.738 nan 8.380 nan 0.000 0.549 733 G N 0.574 109.370 108.800 -0.005 0.000 2.661 733 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.685 733 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.685 733 G C -3.038 171.937 174.900 0.125 0.000 1.298 733 G CA -1.122 43.998 45.100 0.033 0.000 0.855 733 G HN 0.360 nan 8.290 nan 0.000 0.560 734 P HA 0.451 nan 4.420 nan 0.000 0.270 734 P C 0.478 177.763 177.300 -0.025 0.000 1.227 734 P CA 0.648 63.826 63.100 0.131 0.000 0.788 734 P CB 0.364 32.096 31.700 0.055 0.000 0.926 735 A N 1.644 124.267 122.820 -0.330 0.000 2.407 735 A HA 0.433 4.752 4.320 -0.001 0.000 0.248 735 A C 0.107 177.544 177.584 -0.246 0.000 1.082 735 A CA 0.206 51.879 52.037 -0.607 0.000 0.785 735 A CB -0.182 18.150 19.000 -1.113 0.000 1.020 735 A HN 0.466 nan 8.150 nan 0.000 0.489 736 S N 2.304 117.900 115.700 -0.174 0.000 2.501 736 S HA 0.585 5.054 4.470 -0.001 0.000 0.301 736 S C -2.698 171.862 174.600 -0.067 0.000 1.096 736 S CA -1.033 57.115 58.200 -0.086 0.000 1.063 736 S CB 1.322 64.492 63.200 -0.049 0.000 1.042 736 S HN 0.568 nan 8.310 nan 0.000 0.494 737 P HA 0.070 nan 4.420 nan 0.000 0.266 737 P C -0.829 176.472 177.300 0.003 0.000 1.195 737 P CA -0.225 62.867 63.100 -0.013 0.000 0.768 737 P CB 0.326 32.022 31.700 -0.007 0.000 0.838 738 V N 3.932 123.863 119.914 0.028 0.000 2.555 738 V HA 0.041 4.161 4.120 -0.001 0.000 0.286 738 V C 0.840 176.943 176.094 0.015 0.000 1.044 738 V CA 0.048 62.364 62.300 0.026 0.000 1.026 738 V CB 0.320 32.169 31.823 0.044 0.000 0.981 738 V HN 0.464 nan 8.190 nan 0.000 0.480 739 E N 4.414 124.617 120.200 0.005 0.000 2.180 739 E HA 0.201 4.550 4.350 -0.001 0.000 0.283 739 E C 0.671 177.271 176.600 -0.001 0.000 1.061 739 E CA 0.035 56.438 56.400 0.005 0.000 0.861 739 E CB 1.298 31.001 29.700 0.005 0.000 1.056 739 E HN 0.529 nan 8.360 nan 0.000 0.407 740 L N 1.963 123.189 121.223 0.004 0.000 2.162 740 L HA 0.078 4.418 4.340 -0.001 0.000 0.205 740 L C 1.482 178.355 176.870 0.007 0.000 1.086 740 L CA 0.798 55.637 54.840 -0.002 0.000 0.778 740 L CB -0.562 41.503 42.059 0.010 0.000 0.928 740 L HN 0.760 nan 8.230 nan 0.000 0.446 741 G N 0.199 109.008 108.800 0.015 0.000 2.509 741 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.259 741 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.259 741 G C -0.078 174.839 174.900 0.029 0.000 1.169 741 G CA 0.057 45.170 45.100 0.022 0.000 0.953 741 G HN 0.308 nan 8.290 nan 0.000 0.563 742 Q N 1.867 121.688 119.800 0.036 0.000 2.571 742 Q HA 0.483 4.823 4.340 -0.001 0.000 0.243 742 Q C -2.083 173.950 176.000 0.056 0.000 1.055 742 Q CA -1.623 54.206 55.803 0.044 0.000 0.815 742 Q CB 1.285 30.048 28.738 0.042 0.000 1.151 742 Q HN 0.627 nan 8.270 nan 0.000 0.519 743 P HA 0.059 nan 4.420 nan 0.000 0.274 743 P C -0.571 176.793 177.300 0.106 0.000 1.237 743 P CA -0.311 62.832 63.100 0.073 0.000 0.793 743 P CB 1.139 32.861 31.700 0.036 0.000 0.977 744 V N 2.060 122.076 119.914 0.171 0.000 2.461 744 V HA 0.124 4.243 4.120 -0.001 0.000 0.275 744 V C 0.554 176.794 176.094 0.243 0.000 1.047 744 V CA -0.348 62.075 62.300 0.205 0.000 0.955 744 V CB 1.186 33.176 31.823 0.278 0.000 0.988 744 V HN 0.255 nan 8.190 nan 0.000 0.471 745 V N 6.405 126.402 119.914 0.138 0.000 2.435 745 V HA 0.482 4.602 4.120 -0.001 0.000 0.290 745 V C -0.319 175.782 176.094 0.011 0.000 1.030 745 V CA -0.623 61.732 62.300 0.092 0.000 0.881 745 V CB 1.626 33.465 31.823 0.027 0.000 0.983 745 V HN 0.677 nan 8.190 nan 0.000 0.445 746 L N 6.375 127.596 121.223 -0.004 0.000 2.313 746 L HA 0.742 5.081 4.340 -0.001 0.000 0.283 746 L C -0.645 176.080 176.870 -0.241 0.000 1.013 746 L CA -0.009 54.690 54.840 -0.235 0.000 0.816 746 L CB 1.817 43.632 42.059 -0.407 0.000 1.236 746 L HN 0.432 nan 8.230 nan 0.000 0.419 747 V N 4.220 123.976 119.914 -0.264 0.000 2.409 747 V HA 0.548 4.668 4.120 -0.001 0.000 0.291 747 V C -0.108 175.884 176.094 -0.170 0.000 1.020 747 V CA -0.359 61.814 62.300 -0.211 0.000 0.848 747 V CB 1.713 33.435 31.823 -0.168 0.000 0.990 747 V HN 0.864 nan 8.190 nan 0.000 0.430 748 T N 5.416 119.901 114.554 -0.115 0.000 2.786 748 T HA 0.447 4.796 4.350 -0.001 0.000 0.283 748 T C -0.423 174.288 174.700 0.018 0.000 0.992 748 T CA -0.561 61.532 62.100 -0.012 0.000 0.954 748 T CB 1.125 70.024 68.868 0.052 0.000 0.934 748 T HN 0.641 nan 8.240 nan 0.000 0.440 749 K N 2.372 122.803 120.400 0.051 0.000 2.450 749 K HA 0.685 5.005 4.320 -0.001 0.000 0.257 749 K C -0.282 176.369 176.600 0.085 0.000 0.953 749 K CA -0.560 55.760 56.287 0.055 0.000 0.844 749 K CB 0.933 33.459 32.500 0.043 0.000 1.103 749 K HN 0.773 nan 8.250 nan 0.000 0.429 750 G N 2.102 110.949 108.800 0.079 0.000 2.680 750 G HA2 0.176 4.136 3.960 -0.001 0.000 0.290 750 G HA3 0.176 4.136 3.960 -0.001 0.000 0.290 750 G C -0.317 174.624 174.900 0.067 0.000 1.355 750 G CA -0.641 44.509 45.100 0.084 0.000 0.903 750 G HN 0.636 nan 8.290 nan 0.000 0.474 751 K N -0.412 120.024 120.400 0.061 0.000 2.148 751 K HA 0.119 4.438 4.320 -0.001 0.000 0.204 751 K C 1.657 178.290 176.600 0.054 0.000 1.050 751 K CA 0.935 57.255 56.287 0.055 0.000 0.942 751 K CB -0.127 32.403 32.500 0.050 0.000 0.724 751 K HN 0.438 nan 8.250 nan 0.000 0.446 752 L N -0.647 120.609 121.223 0.055 0.000 2.425 752 L HA 0.196 4.535 4.340 -0.001 0.000 0.215 752 L C 0.650 177.550 176.870 0.049 0.000 1.065 752 L CA 0.131 55.003 54.840 0.053 0.000 0.842 752 L CB 0.350 42.443 42.059 0.057 0.000 1.033 752 L HN 0.168 nan 8.230 nan 0.000 0.474 753 E N -0.071 120.161 120.200 0.054 0.000 2.304 753 E HA 0.401 4.751 4.350 -0.001 0.000 0.277 753 E C -1.488 175.147 176.600 0.058 0.000 0.898 753 E CA -0.227 56.204 56.400 0.052 0.000 0.764 753 E CB 2.216 31.945 29.700 0.048 0.000 1.216 753 E HN -0.117 nan 8.360 nan 0.000 0.419 754 S N 1.311 117.042 115.700 0.051 0.000 2.634 754 S HA 0.791 5.260 4.470 -0.001 0.000 0.296 754 S C -1.230 173.381 174.600 0.018 0.000 1.104 754 S CA -0.638 57.585 58.200 0.039 0.000 0.920 754 S CB 1.783 65.005 63.200 0.038 0.000 1.111 754 S HN 0.654 nan 8.310 nan 0.000 0.493 755 S N -0.260 115.425 115.700 -0.025 0.000 2.588 755 S HA 0.775 5.245 4.470 -0.001 0.000 0.269 755 S C -1.792 172.701 174.600 -0.179 0.000 1.157 755 S CA -0.728 57.431 58.200 -0.068 0.000 0.824 755 S CB 1.152 64.336 63.200 -0.027 0.000 1.126 755 S HN 0.483 nan 8.310 nan 0.000 0.464 756 V N 1.691 121.446 119.914 -0.265 0.000 2.525 756 V HA 0.724 4.843 4.120 -0.001 0.000 0.299 756 V C -0.630 175.327 176.094 -0.228 0.000 1.034 756 V CA -0.366 61.705 62.300 -0.381 0.000 0.863 756 V CB 1.663 32.922 31.823 -0.941 0.000 0.999 756 V HN 0.999 nan 8.190 nan 0.000 0.423 757 S N 3.143 118.765 115.700 -0.130 0.000 2.513 757 S HA 0.815 5.284 4.470 -0.001 0.000 0.299 757 S C -0.880 173.681 174.600 -0.065 0.000 1.087 757 S CA -0.644 57.503 58.200 -0.088 0.000 1.012 757 S CB 2.207 65.453 63.200 0.077 0.000 1.044 757 S HN 0.684 nan 8.310 nan 0.000 0.485 758 V N 1.869 121.637 119.914 -0.244 0.000 2.808 758 V HA 0.812 4.932 4.120 -0.001 0.000 0.308 758 V C -0.120 175.629 176.094 -0.575 0.000 1.099 758 V CA -0.418 61.733 62.300 -0.248 0.000 0.920 758 V CB 1.786 33.581 31.823 -0.047 0.000 1.014 758 V HN 0.992 nan 8.190 nan 0.000 0.425 759 G N 6.899 115.361 108.800 -0.564 0.000 2.457 759 G HA2 0.554 4.513 3.960 -0.001 0.000 0.316 759 G HA3 0.554 4.513 3.960 -0.001 0.000 0.316 759 G C -0.627 174.141 174.900 -0.221 0.000 1.030 759 G CA -0.341 44.458 45.100 -0.501 0.000 1.073 759 G HN 0.728 nan 8.290 nan 0.000 0.430 760 L N 2.969 124.019 121.223 -0.288 0.000 2.365 760 L HA 0.439 4.779 4.340 -0.001 0.000 0.267 760 L C -2.103 174.637 176.870 -0.216 0.000 1.033 760 L CA -2.435 52.262 54.840 -0.238 0.000 0.802 760 L CB 1.988 43.829 42.059 -0.363 0.000 1.267 760 L HN 0.215 nan 8.230 nan 0.000 0.457 761 P HA 0.108 nan 4.420 nan 0.000 0.267 761 P C 0.101 177.300 177.300 -0.167 0.000 1.209 761 P CA 0.397 63.407 63.100 -0.149 0.000 0.763 761 P CB 1.118 32.759 31.700 -0.100 0.000 0.816 762 S N -0.181 115.424 115.700 -0.158 0.000 2.608 762 S HA -0.116 4.354 4.470 -0.001 0.000 0.256 762 S C 0.212 174.709 174.600 -0.172 0.000 1.270 762 S CA 1.425 59.546 58.200 -0.132 0.000 1.465 762 S CB -1.311 61.839 63.200 -0.084 0.000 1.833 762 S HN 0.398 nan 8.310 nan 0.000 0.641 763 V N 1.241 120.995 119.914 -0.267 0.000 2.711 763 V HA 0.510 4.630 4.120 -0.001 0.000 0.304 763 V C -0.340 175.518 176.094 -0.394 0.000 1.097 763 V CA -0.797 61.301 62.300 -0.338 0.000 0.906 763 V CB 2.132 33.605 31.823 -0.583 0.000 1.015 763 V HN 0.088 nan 8.190 nan 0.000 0.427 764 V N 4.511 124.206 119.914 -0.365 0.000 2.364 764 V HA 0.373 4.492 4.120 -0.001 0.000 0.272 764 V C 0.006 175.886 176.094 -0.358 0.000 1.036 764 V CA -0.377 61.601 62.300 -0.537 0.000 0.880 764 V CB 0.969 32.372 31.823 -0.701 0.000 0.991 764 V HN 0.927 nan 8.190 nan 0.000 0.460 765 H N 5.642 124.440 119.070 -0.452 0.000 2.457 765 H HA 0.598 5.153 4.556 -0.001 0.000 0.335 765 H C -0.986 174.216 175.328 -0.210 0.000 1.115 765 H CA -0.681 55.204 56.048 -0.272 0.000 1.219 765 H CB 1.628 31.244 29.762 -0.242 0.000 1.471 765 H HN 0.713 nan 8.280 nan 0.000 0.491 766 Q N 3.200 122.720 119.800 -0.465 0.000 2.347 766 Q HA 0.320 4.659 4.340 -0.001 0.000 0.271 766 Q C -1.186 174.593 176.000 -0.368 0.000 1.064 766 Q CA -0.993 54.601 55.803 -0.348 0.000 0.800 766 Q CB 2.774 31.412 28.738 -0.168 0.000 1.304 766 Q HN 0.524 nan 8.270 nan 0.000 0.438 767 T N 2.765 117.187 114.554 -0.219 0.000 2.791 767 T HA 0.580 4.929 4.350 -0.001 0.000 0.288 767 T C -0.397 174.312 174.700 0.015 0.000 0.999 767 T CA -0.401 61.676 62.100 -0.038 0.000 0.952 767 T CB 0.323 69.330 68.868 0.231 0.000 0.938 767 T HN 0.370 nan 8.240 nan 0.000 0.444 768 I N 3.702 124.293 120.570 0.035 0.000 2.404 768 I HA 0.493 4.663 4.170 -0.001 0.000 0.293 768 I C -0.253 175.904 176.117 0.067 0.000 0.992 768 I CA -0.753 60.570 61.300 0.039 0.000 1.149 768 I CB 1.743 39.757 38.000 0.024 0.000 1.315 768 I HN 0.389 nan 8.210 nan 0.000 0.446 769 M N 5.847 125.488 119.600 0.067 0.000 2.253 769 M HA 0.480 4.959 4.480 -0.001 0.000 0.314 769 M C 0.232 176.564 176.300 0.055 0.000 1.019 769 M CA -0.296 55.048 55.300 0.073 0.000 0.932 769 M CB 2.156 34.813 32.600 0.095 0.000 1.606 769 M HN 0.470 nan 8.290 nan 0.000 0.430 770 R N 1.111 121.639 120.500 0.047 0.000 2.572 770 R HA 0.345 4.684 4.340 -0.001 0.000 0.370 770 R C 0.764 177.087 176.300 0.039 0.000 1.005 770 R CA 0.267 56.390 56.100 0.038 0.000 1.146 770 R CB 1.122 31.437 30.300 0.025 0.000 1.390 770 R HN 1.138 nan 8.270 nan 0.000 0.553 771 G N -0.191 108.635 108.800 0.044 0.000 2.184 771 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.206 771 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.206 771 G C 0.260 175.180 174.900 0.033 0.000 0.995 771 G CA -0.335 44.789 45.100 0.040 0.000 0.651 771 G HN 0.532 nan 8.290 nan 0.000 0.511 772 G N -0.218 108.601 108.800 0.032 0.000 3.252 772 G HA2 0.809 4.769 3.960 -0.001 0.000 0.181 772 G HA3 0.809 4.769 3.960 -0.001 0.000 0.181 772 G C 0.442 175.359 174.900 0.028 0.000 1.187 772 G CA 0.445 45.559 45.100 0.024 0.000 0.886 772 G HN 1.550 nan 8.290 nan 0.000 0.615 773 A N 1.438 124.272 122.820 0.023 0.000 2.540 773 A HA 0.520 4.840 4.320 -0.001 0.000 0.239 773 A C -1.648 175.966 177.584 0.050 0.000 1.061 773 A CA -0.400 51.655 52.037 0.030 0.000 0.758 773 A CB -0.384 18.631 19.000 0.025 0.000 0.991 773 A HN 0.410 nan 8.150 nan 0.000 0.502 774 P HA 0.209 nan 4.420 nan 0.000 0.274 774 P C -0.557 176.801 177.300 0.097 0.000 1.256 774 P CA -0.285 62.869 63.100 0.089 0.000 0.795 774 P CB 0.812 32.585 31.700 0.122 0.000 1.038 775 E N 0.546 120.799 120.200 0.088 0.000 2.199 775 E HA 0.452 4.801 4.350 -0.001 0.000 0.269 775 E C -0.977 175.677 176.600 0.089 0.000 0.899 775 E CA -0.752 55.703 56.400 0.091 0.000 0.772 775 E CB 0.834 30.566 29.700 0.053 0.000 1.155 775 E HN 0.205 nan 8.360 nan 0.000 0.408 776 I N 3.725 124.378 120.570 0.138 0.000 2.433 776 I HA 0.441 4.611 4.170 -0.001 0.000 0.292 776 I C -0.132 176.088 176.117 0.173 0.000 1.001 776 I CA -0.639 60.710 61.300 0.082 0.000 1.119 776 I CB 1.392 39.441 38.000 0.080 0.000 1.289 776 I HN 0.573 nan 8.210 nan 0.000 0.438 777 R N 4.507 125.039 120.500 0.053 0.000 2.561 777 R HA 0.511 4.851 4.340 -0.001 0.000 0.297 777 R C -0.984 175.372 176.300 0.093 0.000 0.969 777 R CA -0.864 55.294 56.100 0.097 0.000 0.879 777 R CB 2.156 32.469 30.300 0.021 0.000 1.178 777 R HN 0.471 nan 8.270 nan 0.000 0.445 778 N N 2.545 121.367 118.700 0.203 0.000 2.399 778 N HA 0.213 4.953 4.740 -0.001 0.000 0.280 778 N C -1.337 174.202 175.510 0.048 0.000 1.008 778 N CA -0.705 52.443 53.050 0.164 0.000 0.894 778 N CB 2.001 40.701 38.487 0.356 0.000 1.273 778 N HN 0.321 nan 8.380 nan 0.000 0.486 779 L N 3.609 124.796 121.223 -0.060 0.000 2.270 779 L HA 0.404 4.744 4.340 -0.001 0.000 0.286 779 L C -1.081 175.728 176.870 -0.101 0.000 1.059 779 L CA -0.549 54.235 54.840 -0.093 0.000 0.839 779 L CB 0.474 42.458 42.059 -0.125 0.000 1.221 779 L HN 0.211 nan 8.230 nan 0.000 0.431 780 V N 4.311 124.176 119.914 -0.083 0.000 2.383 780 V HA 0.403 4.523 4.120 -0.001 0.000 0.275 780 V C -0.419 175.646 176.094 -0.047 0.000 1.036 780 V CA -0.456 61.812 62.300 -0.053 0.000 0.889 780 V CB 1.253 33.081 31.823 0.007 0.000 0.985 780 V HN 0.700 nan 8.190 nan 0.000 0.459 781 D N 3.897 124.269 120.400 -0.046 0.000 2.389 781 D HA 0.263 4.902 4.640 -0.001 0.000 0.256 781 D C 0.498 176.785 176.300 -0.020 0.000 1.239 781 D CA -0.439 53.543 54.000 -0.030 0.000 0.925 781 D CB 1.391 42.168 40.800 -0.040 0.000 1.145 781 D HN 0.456 nan 8.370 nan 0.000 0.542 782 I N 2.501 123.076 120.570 0.008 0.000 2.916 782 I HA 0.035 4.205 4.170 -0.001 0.000 0.267 782 I C 1.422 177.545 176.117 0.010 0.000 1.263 782 I CA 1.199 62.511 61.300 0.019 0.000 1.471 782 I CB -0.227 37.803 38.000 0.050 0.000 1.089 782 I HN 0.641 nan 8.210 nan 0.000 0.468 783 G N 0.871 109.675 108.800 0.006 0.000 2.622 783 G HA2 -0.441 3.518 3.960 -0.001 0.000 0.307 783 G HA3 -0.441 3.518 3.960 -0.001 0.000 0.307 783 G C 0.545 175.456 174.900 0.018 0.000 1.226 783 G CA 0.526 45.630 45.100 0.007 0.000 0.997 783 G HN 0.720 nan 8.290 nan 0.000 0.551 784 S N -0.073 115.638 115.700 0.018 0.000 2.537 784 S HA 0.570 5.040 4.470 -0.001 0.000 0.246 784 S C 0.702 175.317 174.600 0.026 0.000 1.036 784 S CA -0.039 58.175 58.200 0.024 0.000 1.041 784 S CB 0.086 63.301 63.200 0.025 0.000 0.799 784 S HN 0.684 nan 8.310 nan 0.000 0.456 785 L N 2.810 124.048 121.223 0.026 0.000 2.376 785 L HA 0.234 4.573 4.340 -0.001 0.000 0.250 785 L C -0.188 176.706 176.870 0.041 0.000 1.335 785 L CA -0.316 54.542 54.840 0.030 0.000 1.214 785 L CB -0.611 41.466 42.059 0.030 0.000 1.395 785 L HN 0.266 nan 8.230 nan 0.000 0.424 786 D N 2.594 123.017 120.400 0.038 0.000 2.449 786 D HA -0.081 4.559 4.640 -0.001 0.000 0.236 786 D C 0.750 177.078 176.300 0.047 0.000 1.149 786 D CA 0.416 54.441 54.000 0.042 0.000 0.878 786 D CB 0.412 41.233 40.800 0.036 0.000 1.198 786 D HN 0.344 nan 8.370 nan 0.000 0.446 787 N N 0.567 119.299 118.700 0.053 0.000 2.725 787 N HA -0.173 4.567 4.740 -0.001 0.000 0.251 787 N C -0.817 174.738 175.510 0.075 0.000 1.031 787 N CA 0.898 53.984 53.050 0.060 0.000 0.720 787 N CB -1.106 37.408 38.487 0.045 0.000 0.930 787 N HN 0.320 nan 8.380 nan 0.000 0.543 788 T N 0.478 115.083 114.554 0.086 0.000 2.893 788 T HA 0.449 4.798 4.350 -0.001 0.000 0.293 788 T C -0.282 174.495 174.700 0.128 0.000 1.027 788 T CA -0.663 61.499 62.100 0.104 0.000 0.988 788 T CB 2.381 71.296 68.868 0.078 0.000 1.043 788 T HN 0.023 nan 8.240 nan 0.000 0.461 789 E N 2.281 122.587 120.200 0.177 0.000 2.224 789 E HA 0.426 4.776 4.350 -0.001 0.000 0.265 789 E C -0.798 175.931 176.600 0.215 0.000 0.878 789 E CA -0.595 55.916 56.400 0.185 0.000 0.759 789 E CB 2.337 32.150 29.700 0.188 0.000 1.164 789 E HN 0.486 nan 8.360 nan 0.000 0.414 790 I N 2.985 123.667 120.570 0.186 0.000 2.315 790 I HA 0.243 4.412 4.170 -0.001 0.000 0.291 790 I C -0.227 176.032 176.117 0.237 0.000 1.006 790 I CA -0.777 60.643 61.300 0.199 0.000 1.265 790 I CB 1.349 39.460 38.000 0.186 0.000 1.387 790 I HN 0.186 nan 8.210 nan 0.000 0.475 791 V N 8.193 128.237 119.914 0.217 0.000 2.581 791 V HA 0.509 4.628 4.120 -0.001 0.000 0.303 791 V C -0.429 175.689 176.094 0.040 0.000 1.041 791 V CA -0.698 61.715 62.300 0.188 0.000 0.907 791 V CB 2.065 34.050 31.823 0.270 0.000 0.994 791 V HN 0.756 nan 8.190 nan 0.000 0.442 792 M N 7.268 126.821 119.600 -0.078 0.000 2.167 792 M HA 0.590 5.069 4.480 -0.001 0.000 0.333 792 M C -0.687 175.457 176.300 -0.259 0.000 1.030 792 M CA -0.481 54.541 55.300 -0.464 0.000 0.963 792 M CB 0.790 33.093 32.600 -0.493 0.000 1.589 792 M HN 0.756 nan 8.290 nan 0.000 0.431 793 R N 4.587 124.926 120.500 -0.268 0.000 2.711 793 R HA 0.711 5.051 4.340 -0.001 0.000 0.284 793 R C -2.002 174.207 176.300 -0.153 0.000 0.968 793 R CA -0.643 55.368 56.100 -0.148 0.000 0.924 793 R CB 1.652 31.890 30.300 -0.104 0.000 1.162 793 R HN 0.831 nan 8.270 nan 0.000 0.465 794 L N 3.261 124.370 121.223 -0.189 0.000 2.313 794 L HA 0.415 4.755 4.340 -0.001 0.000 0.283 794 L C -0.621 176.137 176.870 -0.186 0.000 1.013 794 L CA -0.424 54.230 54.840 -0.310 0.000 0.816 794 L CB 1.944 43.770 42.059 -0.390 0.000 1.236 794 L HN 0.627 nan 8.230 nan 0.000 0.419 795 E N 2.392 122.510 120.200 -0.136 0.000 2.129 795 E HA 0.414 4.764 4.350 -0.001 0.000 0.268 795 E C -0.547 176.017 176.600 -0.061 0.000 0.900 795 E CA -0.425 55.955 56.400 -0.035 0.000 0.755 795 E CB 1.917 31.648 29.700 0.052 0.000 1.117 795 E HN 0.598 nan 8.360 nan 0.000 0.410 796 T N -0.941 113.571 114.554 -0.070 0.000 2.858 796 T HA 0.358 4.708 4.350 -0.001 0.000 0.285 796 T C 0.183 174.897 174.700 0.022 0.000 1.052 796 T CA -0.722 61.288 62.100 -0.151 0.000 1.009 796 T CB 1.031 69.814 68.868 -0.141 0.000 1.241 796 T HN 0.572 nan 8.240 nan 0.000 0.542 797 H N -0.712 118.346 119.070 -0.019 0.000 2.486 797 H HA 0.427 4.983 4.556 -0.001 0.000 0.284 797 H C -0.009 175.316 175.328 -0.004 0.000 1.103 797 H CA -0.605 55.442 56.048 -0.002 0.000 1.089 797 H CB 0.113 29.880 29.762 0.008 0.000 1.603 797 H HN 0.315 nan 8.280 nan 0.000 0.557 798 I N 1.752 122.370 120.570 0.079 0.000 2.618 798 I HA -0.110 4.060 4.170 -0.001 0.000 0.284 798 I C 0.484 176.641 176.117 0.066 0.000 1.146 798 I CA 0.177 61.509 61.300 0.054 0.000 1.425 798 I CB 0.542 38.560 38.000 0.030 0.000 1.383 798 I HN 0.223 nan 8.210 nan 0.000 0.562 799 D N 4.672 125.108 120.400 0.060 0.000 2.608 799 D HA 0.015 4.655 4.640 -0.001 0.000 0.224 799 D C 1.228 177.567 176.300 0.064 0.000 1.123 799 D CA 0.039 54.072 54.000 0.055 0.000 1.030 799 D CB 0.373 41.200 40.800 0.045 0.000 1.093 799 D HN 0.547 nan 8.370 nan 0.000 0.497 800 S N 0.740 116.482 115.700 0.070 0.000 2.501 800 S HA 0.258 4.728 4.470 -0.001 0.000 0.220 800 S C 1.563 176.213 174.600 0.083 0.000 0.997 800 S CA 0.390 58.646 58.200 0.092 0.000 0.919 800 S CB -0.064 63.199 63.200 0.105 0.000 0.778 800 S HN 0.537 nan 8.310 nan 0.000 0.523 801 G N 3.095 111.932 108.800 0.063 0.000 2.557 801 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.292 801 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.292 801 G C 0.079 175.018 174.900 0.065 0.000 1.162 801 G CA 0.548 45.681 45.100 0.055 0.000 0.964 801 G HN 0.785 nan 8.290 nan 0.000 0.541 802 D N 0.047 120.491 120.400 0.073 0.000 2.479 802 D HA 0.365 5.005 4.640 -0.001 0.000 0.218 802 D C 0.626 177.015 176.300 0.148 0.000 1.177 802 D CA -0.276 53.786 54.000 0.104 0.000 0.830 802 D CB 0.303 41.150 40.800 0.078 0.000 1.014 802 D HN 0.450 nan 8.370 nan 0.000 0.503 803 I N 1.494 122.134 120.570 0.116 0.000 2.437 803 I HA 0.507 4.677 4.170 -0.001 0.000 0.298 803 I C -0.114 176.105 176.117 0.170 0.000 0.984 803 I CA -1.001 60.321 61.300 0.036 0.000 1.214 803 I CB 0.600 38.584 38.000 -0.026 0.000 1.365 803 I HN -0.008 nan 8.210 nan 0.000 0.469 804 F N 4.395 124.156 119.950 -0.316 0.000 2.779 804 F HA 0.677 5.204 4.527 -0.001 0.000 0.316 804 F C -2.099 173.351 175.800 -0.583 0.000 1.164 804 F CA -1.392 56.448 58.000 -0.268 0.000 0.924 804 F CB 1.231 40.151 39.000 -0.134 0.000 1.348 804 F HN 0.192 nan 8.300 nan 0.000 0.467 805 Y N -0.009 120.113 120.300 -0.295 0.000 2.477 805 Y HA 0.669 5.218 4.550 -0.001 0.000 0.347 805 Y C -0.054 175.692 175.900 -0.257 0.000 0.981 805 Y CA -0.630 57.128 58.100 -0.569 0.000 1.033 805 Y CB 2.482 40.132 38.460 -1.351 0.000 1.245 805 Y HN 0.902 nan 8.280 nan 0.000 0.455 806 T N -1.445 113.050 114.554 -0.099 0.000 2.906 806 T HA 0.517 4.867 4.350 -0.001 0.000 0.295 806 T C -1.131 173.408 174.700 -0.269 0.000 1.075 806 T CA -1.050 61.008 62.100 -0.071 0.000 1.005 806 T CB 2.058 70.853 68.868 -0.121 0.000 1.136 806 T HN 0.568 nan 8.240 nan 0.000 0.498 807 D N 1.021 121.111 120.400 -0.517 0.000 2.332 807 D HA 0.394 5.034 4.640 -0.001 0.000 0.252 807 D C -0.625 175.417 176.300 -0.430 0.000 1.050 807 D CA -0.842 52.657 54.000 -0.835 0.000 0.970 807 D CB 1.307 41.348 40.800 -1.265 0.000 1.141 807 D HN 0.555 nan 8.370 nan 0.000 0.485 808 L N 1.313 122.325 121.223 -0.352 0.000 2.294 808 L HA 0.253 4.593 4.340 -0.001 0.000 0.283 808 L C 0.335 177.088 176.870 -0.196 0.000 1.015 808 L CA -0.792 53.934 54.840 -0.191 0.000 0.831 808 L CB 0.636 42.645 42.059 -0.083 0.000 1.217 808 L HN 0.398 nan 8.230 nan 0.000 0.420 809 N N 2.841 121.436 118.700 -0.176 0.000 2.693 809 N HA -0.233 4.507 4.740 -0.001 0.000 0.249 809 N C 1.006 176.293 175.510 -0.371 0.000 1.119 809 N CA 0.935 53.874 53.050 -0.184 0.000 0.717 809 N CB -0.863 37.599 38.487 -0.042 0.000 1.071 809 N HN 1.136 nan 8.380 nan 0.000 0.555 810 G N -0.627 107.949 108.800 -0.374 0.000 2.168 810 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.257 810 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.257 810 G C 0.626 175.494 174.900 -0.054 0.000 0.997 810 G CA 0.791 45.696 45.100 -0.326 0.000 0.708 810 G HN 0.500 nan 8.290 nan 0.000 0.520 811 L N -0.693 120.438 121.223 -0.155 0.000 2.577 811 L HA 0.506 4.845 4.340 -0.001 0.000 0.225 811 L C 0.868 177.614 176.870 -0.207 0.000 1.053 811 L CA 1.801 56.472 54.840 -0.281 0.000 0.866 811 L CB 0.206 41.938 42.059 -0.544 0.000 1.132 811 L HN 0.725 nan 8.230 nan 0.000 0.486 812 Q N -1.811 117.874 119.800 -0.191 0.000 2.522 812 Q HA 0.343 4.683 4.340 -0.001 0.000 0.285 812 Q C -1.743 174.138 176.000 -0.198 0.000 0.982 812 Q CA -0.749 55.012 55.803 -0.070 0.000 0.805 812 Q CB 0.987 29.740 28.738 0.025 0.000 1.457 812 Q HN -0.042 nan 8.270 nan 0.000 0.394 813 F N 1.183 121.097 119.950 -0.060 0.000 2.458 813 F HA 0.627 5.154 4.527 -0.001 0.000 0.336 813 F C -0.235 175.529 175.800 -0.061 0.000 1.114 813 F CA -0.841 57.133 58.000 -0.043 0.000 0.987 813 F CB 1.821 40.842 39.000 0.034 0.000 1.130 813 F HN 0.555 nan 8.300 nan 0.000 0.458 814 I N 3.572 124.143 120.570 0.001 0.000 2.530 814 I HA 0.356 4.526 4.170 -0.001 0.000 0.297 814 I C -0.555 175.425 176.117 -0.227 0.000 1.011 814 I CA -0.883 60.368 61.300 -0.082 0.000 1.107 814 I CB 1.357 39.260 38.000 -0.162 0.000 1.285 814 I HN 0.513 nan 8.210 nan 0.000 0.436 815 K N 6.725 126.947 120.400 -0.297 0.000 2.368 815 K HA 0.279 4.598 4.320 -0.001 0.000 0.282 815 K C -0.859 175.281 176.600 -0.768 0.000 1.035 815 K CA -0.369 55.465 56.287 -0.754 0.000 0.973 815 K CB 0.513 32.704 32.500 -0.515 0.000 0.957 815 K HN 0.508 nan 8.250 nan 0.000 0.474 816 R N 3.184 123.050 120.500 -1.057 0.000 2.732 816 R HA 0.370 4.710 4.340 -0.001 0.000 0.278 816 R C -0.534 175.265 176.300 -0.834 0.000 0.976 816 R CA -0.829 54.580 56.100 -1.151 0.000 0.963 816 R CB 1.551 30.605 30.300 -2.076 0.000 1.150 816 R HN 0.686 nan 8.270 nan 0.000 0.478 817 R N 1.413 121.635 120.500 -0.464 0.000 2.476 817 R HA 0.298 4.637 4.340 -0.001 0.000 0.305 817 R C -0.599 175.732 176.300 0.051 0.000 0.965 817 R CA -0.643 55.366 56.100 -0.152 0.000 0.867 817 R CB 1.552 31.802 30.300 -0.084 0.000 1.176 817 R HN 0.554 nan 8.270 nan 0.000 0.447 818 R N 4.945 125.583 120.500 0.230 0.000 2.489 818 R HA 0.167 4.506 4.340 -0.001 0.000 0.287 818 R C -0.971 175.413 176.300 0.139 0.000 1.053 818 R CA 0.108 56.387 56.100 0.299 0.000 1.036 818 R CB 0.450 30.915 30.300 0.274 0.000 0.966 818 R HN 0.556 nan 8.270 nan 0.000 0.432 819 L N 4.887 126.167 121.223 0.095 0.000 2.342 819 L HA 0.231 4.571 4.340 -0.001 0.000 0.276 819 L C 0.234 177.094 176.870 -0.017 0.000 0.997 819 L CA -0.727 54.125 54.840 0.021 0.000 0.838 819 L CB 2.033 44.072 42.059 -0.034 0.000 1.224 819 L HN 0.665 nan 8.230 nan 0.000 0.416 820 D N 1.754 122.152 120.400 -0.004 0.000 2.350 820 D HA -0.126 4.514 4.640 -0.001 0.000 0.216 820 D C 1.649 177.929 176.300 -0.035 0.000 0.968 820 D CA 0.832 54.824 54.000 -0.014 0.000 0.894 820 D CB 0.333 41.135 40.800 0.003 0.000 0.909 820 D HN 0.579 nan 8.370 nan 0.000 0.520 821 K N 0.343 120.713 120.400 -0.050 0.000 2.504 821 K HA 0.002 4.322 4.320 -0.001 0.000 0.195 821 K C 0.683 177.214 176.600 -0.114 0.000 1.036 821 K CA 0.395 56.649 56.287 -0.055 0.000 0.984 821 K CB 0.246 32.726 32.500 -0.033 0.000 0.788 821 K HN 0.108 nan 8.250 nan 0.000 0.488 822 L N 2.577 123.695 121.223 -0.175 0.000 2.334 822 L HA 0.445 4.785 4.340 -0.001 0.000 0.276 822 L C -2.225 174.535 176.870 -0.184 0.000 1.014 822 L CA -2.919 51.774 54.840 -0.244 0.000 0.815 822 L CB 1.454 43.270 42.059 -0.405 0.000 1.268 822 L HN -0.050 nan 8.230 nan 0.000 0.428 823 P HA -0.004 nan 4.420 nan 0.000 0.271 823 P C 0.903 178.084 177.300 -0.198 0.000 1.233 823 P CA -0.334 62.672 63.100 -0.156 0.000 0.789 823 P CB 1.282 32.915 31.700 -0.112 0.000 0.951 824 L N 0.835 121.972 121.223 -0.144 0.000 1.997 824 L HA -0.282 4.058 4.340 -0.001 0.000 0.216 824 L C 2.528 179.331 176.870 -0.112 0.000 1.074 824 L CA 1.976 56.760 54.840 -0.095 0.000 0.763 824 L CB -0.683 41.314 42.059 -0.104 0.000 0.890 824 L HN 0.436 nan 8.230 nan 0.000 0.434 825 Q N -0.276 119.353 119.800 -0.285 0.000 2.364 825 Q HA -0.179 4.160 4.340 -0.001 0.000 0.209 825 Q C 1.785 177.704 176.000 -0.134 0.000 0.977 825 Q CA 1.577 57.259 55.803 -0.201 0.000 0.885 825 Q CB -0.505 28.041 28.738 -0.320 0.000 0.941 825 Q HN 0.619 nan 8.270 nan 0.000 0.464 826 A N 1.148 123.672 122.820 -0.493 0.000 2.123 826 A HA 0.017 4.337 4.320 -0.001 0.000 0.214 826 A C 1.579 178.964 177.584 -0.331 0.000 1.152 826 A CA 0.413 51.979 52.037 -0.786 0.000 0.728 826 A CB -0.076 17.962 19.000 -1.604 0.000 0.814 826 A HN 0.318 nan 8.150 nan 0.000 0.464 827 N N -0.986 117.638 118.700 -0.126 0.000 2.398 827 N HA 0.059 4.799 4.740 -0.001 0.000 0.188 827 N C -0.870 174.723 175.510 0.140 0.000 1.122 827 N CA 0.219 53.300 53.050 0.051 0.000 0.866 827 N CB 0.081 38.666 38.487 0.164 0.000 0.970 827 N HN 0.449 nan 8.380 nan 0.000 0.462 828 Y N 0.142 120.398 120.300 -0.074 0.000 2.299 828 Y HA 0.229 4.779 4.550 -0.001 0.000 0.326 828 Y C -0.179 175.687 175.900 -0.056 0.000 1.164 828 Y CA -0.174 57.976 58.100 0.082 0.000 1.234 828 Y CB 0.466 39.028 38.460 0.171 0.000 1.219 828 Y HN -0.070 nan 8.280 nan 0.000 0.497 829 Y N 2.460 122.913 120.300 0.254 0.000 2.609 829 Y HA 0.446 4.996 4.550 -0.001 0.000 0.342 829 Y C -2.383 173.263 175.900 -0.422 0.000 1.058 829 Y CA -2.885 55.230 58.100 0.025 0.000 1.055 829 Y CB 1.470 39.922 38.460 -0.014 0.000 1.292 829 Y HN 0.432 nan 8.280 nan 0.000 0.476 830 P HA 0.145 nan 4.420 nan 0.000 0.271 830 P C -0.725 176.343 177.300 -0.387 0.000 1.216 830 P CA 0.295 62.824 63.100 -0.951 0.000 0.771 830 P CB 0.426 31.479 31.700 -1.077 0.000 0.864 831 I N 5.779 126.201 120.570 -0.246 0.000 2.692 831 I HA 0.169 4.339 4.170 -0.001 0.000 0.285 831 I C -1.658 174.393 176.117 -0.109 0.000 1.191 831 I CA -2.439 58.789 61.300 -0.120 0.000 1.128 831 I CB 0.840 38.825 38.000 -0.025 0.000 1.585 831 I HN 0.211 nan 8.210 nan 0.000 0.558 832 P HA -0.070 nan 4.420 nan 0.000 0.221 832 P C 0.994 178.270 177.300 -0.041 0.000 1.150 832 P CA 1.234 64.267 63.100 -0.111 0.000 0.800 832 P CB 0.585 32.191 31.700 -0.157 0.000 0.787 833 S N -3.589 112.092 115.700 -0.032 0.000 2.551 833 S HA 0.446 4.915 4.470 -0.001 0.000 0.276 833 S C 0.514 175.204 174.600 0.150 0.000 1.051 833 S CA 0.267 58.504 58.200 0.060 0.000 1.377 833 S CB 0.277 63.538 63.200 0.102 0.000 1.208 833 S HN 0.331 nan 8.310 nan 0.000 0.656 834 G N 1.654 110.543 108.800 0.149 0.000 2.489 834 G HA2 0.564 4.523 3.960 -0.001 0.000 0.291 834 G HA3 0.564 4.523 3.960 -0.001 0.000 0.291 834 G C -1.432 173.708 174.900 0.399 0.000 1.487 834 G CA -0.442 44.873 45.100 0.358 0.000 0.795 834 G HN 0.888 nan 8.290 nan 0.000 0.513 835 M N -0.335 119.523 119.600 0.430 0.000 2.520 835 M HA 0.891 5.371 4.480 -0.001 0.000 0.280 835 M C -1.806 174.733 176.300 0.399 0.000 1.232 835 M CA -1.024 54.490 55.300 0.357 0.000 0.892 835 M CB 2.561 35.279 32.600 0.197 0.000 1.728 835 M HN 1.212 nan 8.290 nan 0.000 0.475 836 F N 1.117 121.207 119.950 0.233 0.000 2.668 836 F HA 0.905 5.431 4.527 -0.001 0.000 0.309 836 F C -1.917 174.008 175.800 0.208 0.000 1.117 836 F CA -1.168 56.906 58.000 0.124 0.000 0.951 836 F CB 1.161 40.145 39.000 -0.025 0.000 1.323 836 F HN 0.789 nan 8.300 nan 0.000 0.451 837 I N -0.087 120.723 120.570 0.400 0.000 2.828 837 I HA 0.886 5.056 4.170 -0.001 0.000 0.302 837 I C -1.505 174.789 176.117 0.296 0.000 1.101 837 I CA -0.908 60.582 61.300 0.318 0.000 1.031 837 I CB 2.461 40.560 38.000 0.165 0.000 1.231 837 I HN 0.954 nan 8.210 nan 0.000 0.427 838 E N 2.127 122.487 120.200 0.267 0.000 2.407 838 E HA 0.530 4.880 4.350 -0.001 0.000 0.279 838 E C -2.111 174.573 176.600 0.140 0.000 1.012 838 E CA -0.838 55.664 56.400 0.170 0.000 0.800 838 E CB 2.234 32.029 29.700 0.157 0.000 1.276 838 E HN 0.739 nan 8.360 nan 0.000 0.452 839 D N 0.720 121.171 120.400 0.085 0.000 2.784 839 D HA 0.478 5.118 4.640 -0.001 0.000 0.256 839 D C 0.897 177.226 176.300 0.050 0.000 1.129 839 D CA -0.190 53.853 54.000 0.071 0.000 1.102 839 D CB 0.057 40.890 40.800 0.055 0.000 1.330 839 D HN 0.449 nan 8.370 nan 0.000 0.626 840 A N -0.772 122.071 122.820 0.038 0.000 2.019 840 A HA -0.153 4.166 4.320 -0.001 0.000 0.219 840 A C 1.461 179.050 177.584 0.008 0.000 1.164 840 A CA 1.477 53.528 52.037 0.024 0.000 0.644 840 A CB -0.696 18.316 19.000 0.021 0.000 0.805 840 A HN 0.539 nan 8.150 nan 0.000 0.449 841 N N -1.922 116.781 118.700 0.005 0.000 2.297 841 N HA 0.054 4.794 4.740 -0.001 0.000 0.208 841 N C -0.497 175.001 175.510 -0.020 0.000 1.176 841 N CA 0.571 53.615 53.050 -0.010 0.000 0.882 841 N CB 0.774 39.257 38.487 -0.008 0.000 1.134 841 N HN 0.296 nan 8.380 nan 0.000 0.489 842 T N 0.862 115.409 114.554 -0.012 0.000 2.841 842 T HA 0.449 4.799 4.350 -0.001 0.000 0.283 842 T C -0.399 174.290 174.700 -0.019 0.000 1.000 842 T CA -0.600 61.486 62.100 -0.024 0.000 0.977 842 T CB 2.788 71.644 68.868 -0.020 0.000 0.979 842 T HN -0.019 nan 8.240 nan 0.000 0.446 843 R N 2.035 122.506 120.500 -0.048 0.000 2.686 843 R HA 0.722 5.061 4.340 -0.001 0.000 0.286 843 R C -1.939 174.329 176.300 -0.053 0.000 0.969 843 R CA -0.918 55.154 56.100 -0.047 0.000 0.898 843 R CB 1.249 31.458 30.300 -0.152 0.000 1.183 843 R HN 0.462 nan 8.270 nan 0.000 0.456 844 L N 2.718 123.938 121.223 -0.005 0.000 2.376 844 L HA 0.503 4.843 4.340 -0.001 0.000 0.275 844 L C -1.360 175.535 176.870 0.042 0.000 0.987 844 L CA 0.085 54.913 54.840 -0.021 0.000 0.828 844 L CB 2.298 44.329 42.059 -0.046 0.000 1.249 844 L HN 0.639 nan 8.230 nan 0.000 0.409 845 T N 5.649 120.211 114.554 0.014 0.000 2.829 845 T HA 0.589 4.938 4.350 -0.001 0.000 0.280 845 T C -1.074 173.685 174.700 0.098 0.000 0.999 845 T CA -0.279 61.872 62.100 0.085 0.000 0.983 845 T CB 1.455 70.300 68.868 -0.038 0.000 0.968 845 T HN 0.497 nan 8.240 nan 0.000 0.446 846 L N 4.851 126.170 121.223 0.160 0.000 2.319 846 L HA 0.565 4.904 4.340 -0.001 0.000 0.281 846 L C -1.395 175.614 176.870 0.231 0.000 1.005 846 L CA -0.711 54.230 54.840 0.168 0.000 0.828 846 L CB 0.577 42.714 42.059 0.130 0.000 1.227 846 L HN 0.391 nan 8.230 nan 0.000 0.415 847 L N 3.948 125.309 121.223 0.230 0.000 2.343 847 L HA 0.655 4.995 4.340 -0.001 0.000 0.275 847 L C 0.535 177.549 176.870 0.239 0.000 1.056 847 L CA -0.199 54.776 54.840 0.225 0.000 0.804 847 L CB 1.487 43.644 42.059 0.164 0.000 1.203 847 L HN 0.802 nan 8.230 nan 0.000 0.440 848 T N -2.214 112.437 114.554 0.161 0.000 2.908 848 T HA 0.631 4.981 4.350 -0.001 0.000 0.290 848 T C 0.652 175.319 174.700 -0.056 0.000 1.034 848 T CA -0.279 61.835 62.100 0.024 0.000 1.010 848 T CB 1.932 70.823 68.868 0.038 0.000 1.068 848 T HN 0.661 nan 8.240 nan 0.000 0.481 849 G N 0.999 109.694 108.800 -0.174 0.000 3.337 849 G HA2 0.418 4.378 3.960 -0.001 0.000 0.246 849 G HA3 0.418 4.378 3.960 -0.001 0.000 0.246 849 G C 0.140 174.982 174.900 -0.097 0.000 1.131 849 G CA -0.327 44.702 45.100 -0.119 0.000 0.773 849 G HN 0.958 nan 8.290 nan 0.000 0.544 850 Q N -0.117 119.622 119.800 -0.100 0.000 2.479 850 Q HA 0.286 4.625 4.340 -0.001 0.000 0.276 850 Q C -3.535 172.440 176.000 -0.042 0.000 0.989 850 Q CA -2.237 53.536 55.803 -0.050 0.000 0.864 850 Q CB 1.852 30.581 28.738 -0.015 0.000 1.444 850 Q HN -0.002 nan 8.270 nan 0.000 0.388 851 P HA 0.416 nan 4.420 nan 0.000 0.276 851 P C -0.707 176.593 177.300 -0.000 0.000 1.235 851 P CA -0.082 63.011 63.100 -0.011 0.000 0.772 851 P CB 0.895 32.594 31.700 -0.001 0.000 0.871 852 L N 1.771 122.987 121.223 -0.012 0.000 2.403 852 L HA 0.664 5.003 4.340 -0.001 0.000 0.253 852 L C 0.788 177.682 176.870 0.040 0.000 1.045 852 L CA -1.160 53.697 54.840 0.028 0.000 0.845 852 L CB 2.009 44.071 42.059 0.005 0.000 1.447 852 L HN 0.328 nan 8.230 nan 0.000 0.411 853 G N -0.949 107.932 108.800 0.135 0.000 2.420 853 G HA2 0.653 4.612 3.960 -0.001 0.000 0.284 853 G HA3 0.653 4.612 3.960 -0.001 0.000 0.284 853 G C -0.438 174.485 174.900 0.039 0.000 1.177 853 G CA 0.199 45.437 45.100 0.230 0.000 0.841 853 G HN 0.877 nan 8.290 nan 0.000 0.527 854 G N -1.421 107.208 108.800 -0.285 0.000 2.550 854 G HA2 0.686 4.645 3.960 -0.001 0.000 0.293 854 G HA3 0.686 4.645 3.960 -0.001 0.000 0.293 854 G C -1.134 173.299 174.900 -0.778 0.000 1.402 854 G CA 0.469 45.198 45.100 -0.618 0.000 0.784 854 G HN 1.304 nan 8.290 nan 0.000 0.482 855 S N -1.994 113.342 115.700 -0.606 0.000 2.683 855 S HA 0.701 5.170 4.470 -0.001 0.000 0.269 855 S C -1.616 172.542 174.600 -0.736 0.000 1.165 855 S CA 0.361 58.215 58.200 -0.575 0.000 0.840 855 S CB 1.193 64.130 63.200 -0.439 0.000 1.169 855 S HN 1.513 nan 8.310 nan 0.000 0.490 856 S N 1.621 116.619 115.700 -1.170 0.000 2.664 856 S HA 0.472 4.942 4.470 -0.001 0.000 0.262 856 S C 0.218 174.568 174.600 -0.417 0.000 1.229 856 S CA -0.615 57.131 58.200 -0.757 0.000 1.151 856 S CB -0.099 62.573 63.200 -0.880 0.000 1.054 856 S HN 0.561 nan 8.310 nan 0.000 0.483 857 L N 2.900 124.015 121.223 -0.181 0.000 2.554 857 L HA 0.460 4.800 4.340 -0.001 0.000 0.226 857 L C 0.853 177.713 176.870 -0.017 0.000 1.137 857 L CA 0.257 55.073 54.840 -0.040 0.000 0.863 857 L CB -0.072 42.021 42.059 0.057 0.000 0.985 857 L HN 0.678 nan 8.230 nan 0.000 0.451 858 A N -1.186 121.609 122.820 -0.041 0.000 2.594 858 A HA 0.411 4.731 4.320 -0.001 0.000 0.296 858 A C -0.351 177.225 177.584 -0.013 0.000 1.061 858 A CA -0.456 51.574 52.037 -0.011 0.000 0.689 858 A CB 1.150 20.151 19.000 0.002 0.000 1.280 858 A HN -0.136 nan 8.150 nan 0.000 0.406 859 S N 0.235 115.941 115.700 0.011 0.000 2.642 859 S HA 0.366 4.836 4.470 -0.001 0.000 0.308 859 S C 1.560 176.175 174.600 0.026 0.000 1.255 859 S CA 2.067 60.281 58.200 0.024 0.000 1.057 859 S CB -0.211 63.007 63.200 0.031 0.000 0.785 859 S HN 2.673 nan 8.310 nan 0.000 0.500 860 G N 3.462 112.279 108.800 0.028 0.000 2.168 860 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.263 860 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.263 860 G C -0.174 174.718 174.900 -0.012 0.000 0.977 860 G CA 0.579 45.695 45.100 0.026 0.000 0.659 860 G HN 0.737 nan 8.290 nan 0.000 0.533 861 E N -0.700 119.476 120.200 -0.040 0.000 2.221 861 E HA 0.766 5.116 4.350 -0.001 0.000 0.268 861 E C -0.230 176.296 176.600 -0.124 0.000 0.933 861 E CA -0.773 55.581 56.400 -0.076 0.000 0.809 861 E CB 1.858 31.517 29.700 -0.068 0.000 1.190 861 E HN 0.225 nan 8.360 nan 0.000 0.406 862 L N 1.909 123.054 121.223 -0.131 0.000 2.431 862 L HA 0.430 4.769 4.340 -0.001 0.000 0.266 862 L C -0.704 176.085 176.870 -0.135 0.000 0.978 862 L CA -0.609 54.143 54.840 -0.147 0.000 0.822 862 L CB 2.061 44.064 42.059 -0.094 0.000 1.310 862 L HN 0.660 nan 8.230 nan 0.000 0.409 863 E N 3.644 123.757 120.200 -0.146 0.000 2.356 863 E HA 0.719 5.069 4.350 -0.001 0.000 0.275 863 E C -1.601 174.943 176.600 -0.093 0.000 0.904 863 E CA -0.831 55.515 56.400 -0.090 0.000 0.757 863 E CB 3.428 33.120 29.700 -0.013 0.000 1.232 863 E HN 0.544 nan 8.360 nan 0.000 0.442 864 I N 2.457 123.009 120.570 -0.029 0.000 2.607 864 I HA 0.324 4.493 4.170 -0.001 0.000 0.290 864 I C -1.381 174.798 176.117 0.102 0.000 1.129 864 I CA -1.242 60.065 61.300 0.012 0.000 1.042 864 I CB 2.012 40.021 38.000 0.016 0.000 1.242 864 I HN 0.782 nan 8.210 nan 0.000 0.421 865 M N 6.262 125.964 119.600 0.171 0.000 2.228 865 M HA 0.206 4.686 4.480 -0.001 0.000 0.351 865 M C 0.568 176.975 176.300 0.179 0.000 1.233 865 M CA 0.622 56.038 55.300 0.195 0.000 1.129 865 M CB 0.899 33.594 32.600 0.159 0.000 1.604 865 M HN 0.559 nan 8.290 nan 0.000 0.457 866 Q N 1.438 121.378 119.800 0.234 0.000 2.304 866 Q HA 0.256 4.596 4.340 -0.001 0.000 0.204 866 Q C -0.292 175.927 176.000 0.364 0.000 0.936 866 Q CA 0.726 56.735 55.803 0.343 0.000 0.878 866 Q CB 0.453 29.434 28.738 0.405 0.000 0.983 866 Q HN 0.757 nan 8.270 nan 0.000 0.516 867 D N -0.795 119.752 120.400 0.245 0.000 2.694 867 D HA 0.273 4.913 4.640 -0.001 0.000 0.260 867 D C -1.461 174.925 176.300 0.144 0.000 1.250 867 D CA -0.482 53.639 54.000 0.201 0.000 0.763 867 D CB 1.435 42.344 40.800 0.181 0.000 1.311 867 D HN 0.035 nan 8.370 nan 0.000 0.420 868 R N 0.957 121.531 120.500 0.123 0.000 2.548 868 R HA 0.626 4.966 4.340 -0.001 0.000 0.280 868 R C -1.045 175.312 176.300 0.096 0.000 1.061 868 R CA -1.035 55.123 56.100 0.097 0.000 0.915 868 R CB 1.977 32.312 30.300 0.058 0.000 1.210 868 R HN 0.287 nan 8.270 nan 0.000 0.442 869 R N 4.059 124.612 120.500 0.088 0.000 2.360 869 R HA 0.437 4.777 4.340 -0.001 0.000 0.318 869 R C -1.282 175.061 176.300 0.072 0.000 0.950 869 R CA -0.567 55.579 56.100 0.078 0.000 0.837 869 R CB 1.073 31.414 30.300 0.069 0.000 1.165 869 R HN 0.692 nan 8.270 nan 0.000 0.458 870 L N 3.949 125.213 121.223 0.068 0.000 2.349 870 L HA 0.504 4.844 4.340 -0.001 0.000 0.278 870 L C 0.739 177.641 176.870 0.053 0.000 0.996 870 L CA -0.532 54.345 54.840 0.061 0.000 0.825 870 L CB 2.087 44.183 42.059 0.063 0.000 1.243 870 L HN 0.764 nan 8.230 nan 0.000 0.412 871 A N 1.769 124.616 122.820 0.045 0.000 2.251 871 A HA 0.286 4.606 4.320 -0.001 0.000 0.209 871 A C 0.724 178.329 177.584 0.036 0.000 1.187 871 A CA 0.293 52.353 52.037 0.039 0.000 0.823 871 A CB -0.025 18.995 19.000 0.034 0.000 0.846 871 A HN 0.613 nan 8.150 nan 0.000 0.486 872 S N -0.538 115.183 115.700 0.036 0.000 2.600 872 S HA 0.449 4.918 4.470 -0.001 0.000 0.300 872 S C -0.936 173.687 174.600 0.039 0.000 1.087 872 S CA -0.726 57.493 58.200 0.032 0.000 0.965 872 S CB 1.624 64.839 63.200 0.024 0.000 1.089 872 S HN 0.454 nan 8.310 nan 0.000 0.496 873 D N 0.342 120.764 120.400 0.038 0.000 2.264 873 D HA 0.298 4.938 4.640 -0.001 0.000 0.249 873 D C -0.237 176.086 176.300 0.038 0.000 1.070 873 D CA -0.453 53.578 54.000 0.051 0.000 0.912 873 D CB 0.731 41.560 40.800 0.048 0.000 1.193 873 D HN 0.490 nan 8.370 nan 0.000 0.427 874 D N 2.072 122.501 120.400 0.049 0.000 2.525 874 D HA 0.050 4.689 4.640 -0.001 0.000 0.229 874 D C -0.420 175.845 176.300 -0.058 0.000 1.202 874 D CA -0.273 53.723 54.000 -0.007 0.000 0.828 874 D CB -0.508 40.281 40.800 -0.019 0.000 1.008 874 D HN 0.686 nan 8.370 nan 0.000 0.493 875 E N -0.037 120.154 120.200 -0.016 0.000 2.476 875 E HA -0.231 4.118 4.350 -0.001 0.000 0.251 875 E C 0.149 176.709 176.600 -0.066 0.000 1.130 875 E CA 0.195 56.581 56.400 -0.023 0.000 0.736 875 E CB -0.908 28.774 29.700 -0.029 0.000 1.298 875 E HN 0.234 nan 8.360 nan 0.000 0.400 876 R N -0.531 119.900 120.500 -0.114 0.000 2.577 876 R HA 0.216 4.556 4.340 -0.001 0.000 0.344 876 R C 1.346 177.691 176.300 0.076 0.000 1.037 876 R CA 0.581 56.526 56.100 -0.259 0.000 1.102 876 R CB 0.935 30.605 30.300 -1.049 0.000 1.313 876 R HN 0.442 nan 8.270 nan 0.000 0.561 877 G N 0.795 109.731 108.800 0.227 0.000 2.213 877 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.226 877 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.226 877 G C 0.779 175.837 174.900 0.262 0.000 0.992 877 G CA 0.267 45.594 45.100 0.379 0.000 0.632 877 G HN 0.312 nan 8.290 nan 0.000 0.511 878 L N 1.441 122.915 121.223 0.417 0.000 2.093 878 L HA 0.418 4.757 4.340 -0.001 0.000 0.208 878 L C 2.231 179.110 176.870 0.014 0.000 1.085 878 L CA 2.797 57.768 54.840 0.219 0.000 0.755 878 L CB -0.622 41.706 42.059 0.449 0.000 0.904 878 L HN 1.737 nan 8.230 nan 0.000 0.435 879 G N -0.476 108.360 108.800 0.060 0.000 2.176 879 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.252 879 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.252 879 G C 0.078 174.993 174.900 0.024 0.000 1.024 879 G CA 0.667 45.778 45.100 0.019 0.000 0.755 879 G HN 0.827 nan 8.290 nan 0.000 0.507 880 Q N -2.305 117.525 119.800 0.050 0.000 2.702 880 Q HA 0.645 4.985 4.340 -0.001 0.000 0.289 880 Q C 0.249 176.287 176.000 0.063 0.000 0.923 880 Q CA -0.510 55.322 55.803 0.047 0.000 0.787 880 Q CB 0.289 29.052 28.738 0.041 0.000 1.476 880 Q HN 1.057 nan 8.270 nan 0.000 0.402 881 G N -0.007 108.826 108.800 0.055 0.000 2.641 881 G HA2 0.576 4.535 3.960 -0.001 0.000 0.239 881 G HA3 0.576 4.535 3.960 -0.001 0.000 0.239 881 G C -1.023 173.915 174.900 0.063 0.000 1.402 881 G CA -0.674 44.461 45.100 0.058 0.000 1.046 881 G HN 0.453 nan 8.290 nan 0.000 0.565 882 V N 0.899 120.853 119.914 0.065 0.000 2.284 882 V HA 0.362 4.482 4.120 -0.001 0.000 0.274 882 V C -0.008 176.130 176.094 0.074 0.000 1.023 882 V CA -0.154 62.192 62.300 0.076 0.000 0.808 882 V CB 0.844 32.717 31.823 0.083 0.000 1.035 882 V HN 0.533 nan 8.190 nan 0.000 0.445 883 L N 3.413 124.678 121.223 0.070 0.000 3.358 883 L HA 0.326 4.666 4.340 -0.001 0.000 0.301 883 L C 0.599 177.507 176.870 0.062 0.000 1.276 883 L CA 0.004 54.881 54.840 0.061 0.000 1.028 883 L CB 0.722 42.811 42.059 0.050 0.000 1.421 883 L HN 0.664 nan 8.230 nan 0.000 0.604 884 D N -2.089 118.358 120.400 0.078 0.000 2.463 884 D HA 0.045 4.684 4.640 -0.001 0.000 0.224 884 D C 0.164 176.515 176.300 0.085 0.000 1.174 884 D CA -0.410 53.637 54.000 0.079 0.000 0.829 884 D CB -0.203 40.653 40.800 0.094 0.000 0.993 884 D HN 0.068 nan 8.370 nan 0.000 0.497 885 N N 1.942 120.690 118.700 0.081 0.000 2.345 885 N HA 0.030 4.770 4.740 -0.001 0.000 0.243 885 N C 0.318 175.847 175.510 0.031 0.000 1.246 885 N CA 0.677 53.775 53.050 0.079 0.000 0.863 885 N CB 0.832 39.363 38.487 0.073 0.000 1.096 885 N HN 0.432 nan 8.380 nan 0.000 0.446 886 K N -0.096 120.309 120.400 0.008 0.000 2.536 886 K HA 0.516 4.836 4.320 -0.001 0.000 0.269 886 K C -3.268 173.311 176.600 -0.034 0.000 0.965 886 K CA -1.862 54.384 56.287 -0.067 0.000 0.860 886 K CB 1.317 33.681 32.500 -0.225 0.000 1.423 886 K HN 0.082 nan 8.250 nan 0.000 0.438 887 P HA -0.015 nan 4.420 nan 0.000 0.264 887 P C -1.052 176.276 177.300 0.047 0.000 1.183 887 P CA -0.417 62.670 63.100 -0.023 0.000 0.763 887 P CB 0.729 32.403 31.700 -0.043 0.000 0.807 888 V N 4.982 124.891 119.914 -0.008 0.000 2.888 888 V HA 0.461 4.581 4.120 -0.001 0.000 0.309 888 V C -1.453 174.528 176.094 -0.189 0.000 1.114 888 V CA -1.084 61.192 62.300 -0.039 0.000 0.940 888 V CB 2.179 33.950 31.823 -0.086 0.000 1.021 888 V HN 0.285 nan 8.190 nan 0.000 0.426 889 L N 6.905 128.039 121.223 -0.148 0.000 2.259 889 L HA 0.607 4.946 4.340 -0.001 0.000 0.288 889 L C -0.442 176.410 176.870 -0.031 0.000 1.051 889 L CA 0.208 54.993 54.840 -0.093 0.000 0.824 889 L CB 0.391 42.412 42.059 -0.063 0.000 1.206 889 L HN 0.705 nan 8.230 nan 0.000 0.429 890 H N 5.759 124.842 119.070 0.022 0.000 2.487 890 H HA 0.523 5.079 4.556 -0.001 0.000 0.333 890 H C -0.147 175.065 175.328 -0.192 0.000 1.114 890 H CA -0.267 55.733 56.048 -0.081 0.000 1.310 890 H CB 1.373 31.170 29.762 0.058 0.000 1.462 890 H HN 0.699 nan 8.280 nan 0.000 0.516 891 I N 0.127 120.507 120.570 -0.316 0.000 2.785 891 I HA 0.627 4.796 4.170 -0.001 0.000 0.302 891 I C -1.388 174.377 176.117 -0.586 0.000 1.069 891 I CA -0.936 60.204 61.300 -0.266 0.000 1.045 891 I CB 2.238 40.178 38.000 -0.101 0.000 1.236 891 I HN 0.263 nan 8.210 nan 0.000 0.429 892 Y N 1.957 122.294 120.300 0.061 0.000 2.670 892 Y HA 0.690 5.239 4.550 -0.001 0.000 0.334 892 Y C -0.686 175.253 175.900 0.065 0.000 1.185 892 Y CA -1.104 57.038 58.100 0.071 0.000 1.053 892 Y CB 1.485 40.006 38.460 0.100 0.000 1.298 892 Y HN 0.420 nan 8.280 nan 0.000 0.459 893 R N 1.302 121.953 120.500 0.251 0.000 2.686 893 R HA 0.629 4.968 4.340 -0.001 0.000 0.286 893 R C -1.984 174.420 176.300 0.174 0.000 0.969 893 R CA -1.103 55.095 56.100 0.164 0.000 0.898 893 R CB 2.512 32.871 30.300 0.097 0.000 1.183 893 R HN 0.648 nan 8.270 nan 0.000 0.456 894 L N 2.280 123.588 121.223 0.142 0.000 2.343 894 L HA 0.485 4.824 4.340 -0.001 0.000 0.278 894 L C -1.260 175.640 176.870 0.050 0.000 0.996 894 L CA -0.572 54.335 54.840 0.111 0.000 0.831 894 L CB 1.940 44.089 42.059 0.151 0.000 1.232 894 L HN 0.313 nan 8.230 nan 0.000 0.413 895 V N 6.251 126.176 119.914 0.018 0.000 2.326 895 V HA 0.410 4.530 4.120 -0.001 0.000 0.281 895 V C -0.381 175.684 176.094 -0.048 0.000 1.015 895 V CA -0.553 61.737 62.300 -0.017 0.000 0.823 895 V CB 1.380 33.182 31.823 -0.033 0.000 1.009 895 V HN 0.663 nan 8.190 nan 0.000 0.436 896 L N 5.457 126.647 121.223 -0.055 0.000 2.275 896 L HA 0.687 5.027 4.340 -0.001 0.000 0.288 896 L C -0.141 176.688 176.870 -0.069 0.000 1.046 896 L CA 0.681 55.479 54.840 -0.071 0.000 0.805 896 L CB 1.031 43.042 42.059 -0.080 0.000 1.193 896 L HN 0.738 nan 8.230 nan 0.000 0.426 897 E N 3.757 123.909 120.200 -0.080 0.000 2.383 897 E HA 0.444 4.794 4.350 -0.001 0.000 0.275 897 E C -1.287 175.267 176.600 -0.077 0.000 0.918 897 E CA -1.196 55.155 56.400 -0.082 0.000 0.764 897 E CB 1.538 31.172 29.700 -0.110 0.000 1.252 897 E HN 0.260 nan 8.360 nan 0.000 0.449 898 K N 1.332 121.692 120.400 -0.067 0.000 2.234 898 K HA 0.225 4.545 4.320 -0.001 0.000 0.282 898 K C 0.333 176.892 176.600 -0.070 0.000 1.039 898 K CA -0.223 56.029 56.287 -0.058 0.000 0.928 898 K CB 1.337 33.809 32.500 -0.046 0.000 1.039 898 K HN 0.487 nan 8.250 nan 0.000 0.470 899 V N -0.542 119.332 119.914 -0.066 0.000 3.276 899 V HA 0.041 4.160 4.120 -0.001 0.000 0.319 899 V C 1.058 177.119 176.094 -0.055 0.000 1.476 899 V CA -0.367 61.886 62.300 -0.078 0.000 1.097 899 V CB -0.240 31.519 31.823 -0.107 0.000 0.988 899 V HN 0.622 nan 8.190 nan 0.000 0.473 900 N N 1.685 120.361 118.700 -0.040 0.000 2.381 900 N HA -0.172 4.568 4.740 -0.001 0.000 0.182 900 N C 1.033 176.525 175.510 -0.031 0.000 1.025 900 N CA 1.831 54.864 53.050 -0.028 0.000 0.888 900 N CB -0.554 37.921 38.487 -0.020 0.000 0.965 900 N HN 0.729 nan 8.380 nan 0.000 0.438 901 N N -0.494 118.183 118.700 -0.038 0.000 2.336 901 N HA 0.113 4.852 4.740 -0.001 0.000 0.189 901 N C -0.337 175.145 175.510 -0.048 0.000 1.113 901 N CA -0.277 52.749 53.050 -0.039 0.000 0.858 901 N CB 0.316 38.780 38.487 -0.039 0.000 0.970 901 N HN 0.150 nan 8.380 nan 0.000 0.471 902 c N 1.019 119.584 118.600 -0.058 0.000 2.539 902 c HA 0.261 4.831 4.570 -0.001 0.000 0.392 902 c C 0.965 175.019 174.090 -0.060 0.000 1.269 902 c CA -0.973 55.314 56.329 -0.070 0.000 2.250 902 c CB 0.877 43.330 42.510 -0.095 0.000 2.584 902 c HN 0.058 nan 8.230 nan 0.000 0.589 903 V N 5.005 124.880 119.914 -0.065 0.000 2.370 903 V HA 0.185 4.305 4.120 -0.001 0.000 0.257 903 V C 0.670 176.730 176.094 -0.057 0.000 1.064 903 V CA 0.383 62.649 62.300 -0.055 0.000 0.975 903 V CB -0.730 31.056 31.823 -0.062 0.000 1.067 903 V HN 0.782 nan 8.190 nan 0.000 0.485 904 R N 4.774 125.252 120.500 -0.037 0.000 2.596 904 R HA 0.534 4.873 4.340 -0.001 0.000 0.267 904 R C -2.374 173.923 176.300 -0.005 0.000 1.026 904 R CA -1.731 54.356 56.100 -0.022 0.000 1.087 904 R CB 0.858 31.150 30.300 -0.014 0.000 1.132 904 R HN 0.400 nan 8.270 nan 0.000 0.531 905 P HA 0.004 nan 4.420 nan 0.000 0.274 905 P C -0.457 176.886 177.300 0.071 0.000 1.246 905 P CA -0.378 62.714 63.100 -0.014 0.000 0.795 905 P CB 0.735 32.341 31.700 -0.157 0.000 1.006 906 S N 0.760 116.530 115.700 0.116 0.000 2.587 906 S HA 0.028 4.498 4.470 -0.001 0.000 0.260 906 S C 1.195 175.878 174.600 0.138 0.000 1.353 906 S CA -0.017 58.253 58.200 0.117 0.000 0.995 906 S CB 0.127 63.398 63.200 0.119 0.000 0.912 906 S HN 0.309 nan 8.310 nan 0.000 0.568 907 K N 0.677 121.139 120.400 0.103 0.000 2.280 907 K HA 0.013 4.333 4.320 -0.001 0.000 0.202 907 K C 1.531 178.185 176.600 0.091 0.000 1.047 907 K CA 1.178 57.521 56.287 0.094 0.000 0.942 907 K CB -0.412 32.127 32.500 0.066 0.000 0.739 907 K HN 0.580 nan 8.250 nan 0.000 0.457 908 L N -0.266 121.015 121.223 0.096 0.000 2.529 908 L HA 0.027 4.366 4.340 -0.001 0.000 0.223 908 L C 1.112 178.033 176.870 0.085 0.000 1.113 908 L CA -0.160 54.722 54.840 0.070 0.000 0.861 908 L CB -0.158 41.929 42.059 0.047 0.000 1.012 908 L HN 0.212 nan 8.230 nan 0.000 0.461 909 H N 2.910 122.017 119.070 0.062 0.000 2.803 909 H HA 0.076 4.632 4.556 -0.001 0.000 0.330 909 H C -1.607 173.760 175.328 0.064 0.000 1.057 909 H CA -1.382 54.714 56.048 0.081 0.000 1.458 909 H CB 1.730 31.567 29.762 0.125 0.000 1.470 909 H HN -0.061 nan 8.280 nan 0.000 0.560 910 P HA 0.116 nan 4.420 nan 0.000 0.249 910 P C -0.243 177.149 177.300 0.153 0.000 1.229 910 P CA 0.160 63.293 63.100 0.056 0.000 0.788 910 P CB 0.523 32.185 31.700 -0.063 0.000 1.072 911 A N -0.272 122.794 122.820 0.410 0.000 2.288 911 A HA 0.762 5.081 4.320 -0.001 0.000 0.328 911 A C 0.194 177.826 177.584 0.080 0.000 1.123 911 A CA -0.294 51.868 52.037 0.208 0.000 0.861 911 A CB 1.101 20.235 19.000 0.223 0.000 1.272 911 A HN 0.183 nan 8.150 nan 0.000 0.490 912 G N -1.472 107.222 108.800 -0.178 0.000 2.642 912 G HA2 0.632 4.592 3.960 -0.001 0.000 0.293 912 G HA3 0.632 4.592 3.960 -0.001 0.000 0.293 912 G C -1.838 172.693 174.900 -0.615 0.000 1.341 912 G CA -0.378 44.568 45.100 -0.256 0.000 0.916 912 G HN 0.534 nan 8.290 nan 0.000 0.474 913 Y N -1.006 119.255 120.300 -0.065 0.000 2.581 913 Y HA 0.560 5.110 4.550 -0.001 0.000 0.345 913 Y C 0.296 175.939 175.900 -0.428 0.000 1.036 913 Y CA -0.870 57.121 58.100 -0.183 0.000 1.042 913 Y CB 2.007 40.355 38.460 -0.186 0.000 1.289 913 Y HN 0.382 nan 8.280 nan 0.000 0.471 914 L N 1.442 122.492 121.223 -0.289 0.000 2.439 914 L HA 0.521 4.860 4.340 -0.001 0.000 0.259 914 L C 0.563 177.273 176.870 -0.266 0.000 1.129 914 L CA -0.720 53.862 54.840 -0.430 0.000 0.803 914 L CB 1.047 42.923 42.059 -0.304 0.000 1.161 914 L HN 0.794 nan 8.230 nan 0.000 0.462 915 T N -3.066 111.326 114.554 -0.270 0.000 2.862 915 T HA 0.084 4.434 4.350 -0.001 0.000 0.276 915 T C 1.084 175.726 174.700 -0.096 0.000 0.974 915 T CA -0.201 61.791 62.100 -0.181 0.000 0.966 915 T CB 1.510 70.270 68.868 -0.181 0.000 1.072 915 T HN 0.580 nan 8.240 nan 0.000 0.538 916 S N 0.343 116.000 115.700 -0.071 0.000 2.359 916 S HA -0.147 4.323 4.470 -0.001 0.000 0.224 916 S C 2.340 176.946 174.600 0.009 0.000 1.035 916 S CA 1.493 59.685 58.200 -0.014 0.000 1.018 916 S CB -1.246 61.930 63.200 -0.040 0.000 0.876 916 S HN 0.902 nan 8.310 nan 0.000 0.448 917 A N 1.053 123.855 122.820 -0.031 0.000 1.933 917 A HA 0.224 4.543 4.320 -0.001 0.000 0.218 917 A C 2.426 179.997 177.584 -0.021 0.000 1.175 917 A CA 1.851 53.872 52.037 -0.026 0.000 0.628 917 A CB -1.229 17.747 19.000 -0.040 0.000 0.814 917 A HN 0.790 nan 8.150 nan 0.000 0.444 918 A N -1.560 121.235 122.820 -0.042 0.000 1.970 918 A HA -0.115 4.205 4.320 -0.001 0.000 0.216 918 A C 2.076 179.678 177.584 0.029 0.000 1.170 918 A CA 1.442 53.458 52.037 -0.036 0.000 0.645 918 A CB -0.856 18.067 19.000 -0.128 0.000 0.816 918 A HN 0.772 nan 8.150 nan 0.000 0.447 919 H N 0.203 119.250 119.070 -0.038 0.000 2.321 919 H HA -0.057 4.499 4.556 -0.001 0.000 0.300 919 H C 1.780 177.137 175.328 0.048 0.000 1.087 919 H CA 1.832 57.893 56.048 0.022 0.000 1.319 919 H CB -0.037 29.731 29.762 0.010 0.000 1.379 919 H HN 0.427 nan 8.280 nan 0.000 0.501 920 K N 0.233 120.568 120.400 -0.108 0.000 2.097 920 K HA -0.078 4.241 4.320 -0.001 0.000 0.206 920 K C 2.381 178.933 176.600 -0.081 0.000 1.049 920 K CA 0.858 57.072 56.287 -0.122 0.000 0.933 920 K CB -0.030 32.452 32.500 -0.030 0.000 0.717 920 K HN 0.273 nan 8.250 nan 0.000 0.442 921 A N 0.872 123.669 122.820 -0.039 0.000 1.902 921 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 921 A C 2.220 179.798 177.584 -0.009 0.000 1.181 921 A CA 1.982 54.013 52.037 -0.010 0.000 0.623 921 A CB -0.632 18.377 19.000 0.015 0.000 0.818 921 A HN 0.273 nan 8.150 nan 0.000 0.443 922 S N -0.688 115.010 115.700 -0.004 0.000 2.368 922 S HA -0.231 4.238 4.470 -0.001 0.000 0.225 922 S C 2.150 176.732 174.600 -0.030 0.000 1.030 922 S CA 1.693 59.911 58.200 0.031 0.000 0.999 922 S CB -0.412 62.854 63.200 0.111 0.000 0.844 922 S HN 0.669 nan 8.310 nan 0.000 0.459 923 Q N 0.606 120.339 119.800 -0.111 0.000 2.135 923 Q HA -0.105 4.234 4.340 -0.001 0.000 0.204 923 Q C 2.520 178.465 176.000 -0.091 0.000 0.981 923 Q CA 1.753 57.492 55.803 -0.107 0.000 0.856 923 Q CB -0.354 28.297 28.738 -0.145 0.000 0.902 923 Q HN 0.799 nan 8.270 nan 0.000 0.425 924 S N 0.272 115.927 115.700 -0.074 0.000 2.423 924 S HA -0.080 4.389 4.470 -0.001 0.000 0.231 924 S C 1.876 176.415 174.600 -0.100 0.000 1.014 924 S CA 0.666 58.820 58.200 -0.076 0.000 0.965 924 S CB -0.224 62.949 63.200 -0.044 0.000 0.785 924 S HN 0.291 nan 8.310 nan 0.000 0.495 925 L N 0.045 121.219 121.223 -0.081 0.000 2.127 925 L HA 0.195 4.534 4.340 -0.001 0.000 0.203 925 L C 2.511 179.297 176.870 -0.140 0.000 1.080 925 L CA 0.821 55.606 54.840 -0.092 0.000 0.768 925 L CB -0.384 41.645 42.059 -0.050 0.000 0.924 925 L HN 0.298 nan 8.230 nan 0.000 0.444 926 L N -1.230 119.915 121.223 -0.130 0.000 2.249 926 L HA 0.035 4.374 4.340 -0.001 0.000 0.207 926 L C 0.199 176.904 176.870 -0.274 0.000 1.090 926 L CA 0.738 55.478 54.840 -0.166 0.000 0.802 926 L CB 0.120 42.115 42.059 -0.106 0.000 0.947 926 L HN 0.197 nan 8.230 nan 0.000 0.453 927 D N 0.375 120.611 120.400 -0.272 0.000 2.613 927 D HA 0.229 4.868 4.640 -0.001 0.000 0.312 927 D C -2.330 173.737 176.300 -0.388 0.000 1.202 927 D CA -0.979 52.795 54.000 -0.378 0.000 0.825 927 D CB 1.310 42.078 40.800 -0.055 0.000 1.113 927 D HN 0.060 nan 8.370 nan 0.000 0.502 928 P HA 0.122 nan 4.420 nan 0.000 0.274 928 P C 0.537 177.707 177.300 -0.217 0.000 1.260 928 P CA -0.501 62.423 63.100 -0.293 0.000 0.793 928 P CB 1.522 33.058 31.700 -0.273 0.000 1.048 929 L N 0.746 121.904 121.223 -0.109 0.000 2.485 929 L HA 0.107 4.446 4.340 -0.001 0.000 0.275 929 L C 0.903 177.782 176.870 0.014 0.000 1.207 929 L CA 0.325 55.154 54.840 -0.018 0.000 0.855 929 L CB -0.296 41.769 42.059 0.010 0.000 1.114 929 L HN 0.279 nan 8.230 nan 0.000 0.485 930 D N 3.044 123.532 120.400 0.146 0.000 2.253 930 D HA 0.349 4.989 4.640 -0.001 0.000 0.249 930 D C -0.325 176.023 176.300 0.080 0.000 1.049 930 D CA -0.294 53.773 54.000 0.112 0.000 0.929 930 D CB 1.681 42.626 40.800 0.243 0.000 1.176 930 D HN 0.362 nan 8.370 nan 0.000 0.437 931 K N 1.108 121.446 120.400 -0.104 0.000 2.345 931 K HA 0.472 4.792 4.320 -0.001 0.000 0.255 931 K C -1.058 175.509 176.600 -0.055 0.000 0.934 931 K CA -0.638 55.699 56.287 0.084 0.000 0.801 931 K CB 1.578 34.105 32.500 0.046 0.000 1.137 931 K HN 0.220 nan 8.250 nan 0.000 0.424 932 F N 2.506 122.667 119.950 0.352 0.000 2.520 932 F HA 0.506 5.033 4.527 -0.001 0.000 0.322 932 F C -0.003 176.097 175.800 0.500 0.000 1.103 932 F CA -0.885 57.318 58.000 0.338 0.000 0.926 932 F CB 1.282 40.321 39.000 0.065 0.000 1.154 932 F HN 0.191 nan 8.300 nan 0.000 0.453 933 I N 3.255 124.223 120.570 0.664 0.000 2.378 933 I HA 0.222 4.391 4.170 -0.001 0.000 0.291 933 I C -0.610 175.797 176.117 0.483 0.000 0.992 933 I CA -0.857 60.748 61.300 0.509 0.000 1.154 933 I CB 1.320 39.517 38.000 0.329 0.000 1.315 933 I HN 0.439 nan 8.210 nan 0.000 0.448 934 F N 5.899 126.009 119.950 0.267 0.000 2.578 934 F HA 0.189 4.715 4.527 -0.001 0.000 0.381 934 F C 1.197 176.921 175.800 -0.127 0.000 1.069 934 F CA 0.014 57.876 58.000 -0.231 0.000 1.231 934 F CB 1.137 40.044 39.000 -0.154 0.000 1.086 934 F HN 0.605 nan 8.300 nan 0.000 0.564 935 A N 4.382 126.653 122.820 -0.915 0.000 1.970 935 A HA 0.031 4.350 4.320 -0.001 0.000 0.216 935 A C 1.110 178.410 177.584 -0.472 0.000 1.170 935 A CA 0.666 52.373 52.037 -0.550 0.000 0.645 935 A CB -0.341 18.359 19.000 -0.501 0.000 0.816 935 A HN 0.666 nan 8.150 nan 0.000 0.447 936 E N -0.154 119.589 120.200 -0.761 0.000 2.359 936 E HA 0.168 4.518 4.350 -0.001 0.000 0.255 936 E C 0.307 177.035 176.600 0.214 0.000 1.191 936 E CA -0.631 55.663 56.400 -0.177 0.000 0.952 936 E CB 0.127 29.784 29.700 -0.072 0.000 1.152 936 E HN 0.231 nan 8.360 nan 0.000 0.496 937 N N 0.626 119.467 118.700 0.235 0.000 2.188 937 N HA -0.110 4.630 4.740 -0.001 0.000 0.184 937 N C 0.033 175.744 175.510 0.334 0.000 1.018 937 N CA 0.971 54.172 53.050 0.252 0.000 0.858 937 N CB 0.330 38.912 38.487 0.159 0.000 0.989 937 N HN 0.445 nan 8.380 nan 0.000 0.426 938 E N -0.696 119.732 120.200 0.381 0.000 2.275 938 E HA 0.094 4.444 4.350 -0.001 0.000 0.270 938 E C -1.565 175.157 176.600 0.202 0.000 0.882 938 E CA -0.657 55.896 56.400 0.255 0.000 0.758 938 E CB 1.346 31.145 29.700 0.165 0.000 1.195 938 E HN 0.006 nan 8.360 nan 0.000 0.419 939 W N 8.287 129.292 121.300 -0.492 0.000 2.288 939 W HA 0.322 4.982 4.660 -0.001 0.000 0.325 939 W C -1.154 175.161 176.519 -0.339 0.000 1.019 939 W CA -1.404 55.453 57.345 -0.813 0.000 1.403 939 W CB 0.178 28.672 29.460 -1.610 0.000 1.226 939 W HN 0.373 nan 8.180 nan 0.000 0.391 940 I N 6.295 126.969 120.570 0.173 0.000 2.471 940 I HA 0.230 4.399 4.170 -0.001 0.000 0.286 940 I C 1.461 177.540 176.117 -0.063 0.000 1.079 940 I CA 0.655 61.972 61.300 0.029 0.000 1.398 940 I CB -0.111 37.942 38.000 0.087 0.000 1.403 940 I HN 0.843 nan 8.210 nan 0.000 0.530 941 G N 4.621 113.287 108.800 -0.222 0.000 2.157 941 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.248 941 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.248 941 G C 0.565 175.150 174.900 -0.524 0.000 0.979 941 G CA 0.047 44.991 45.100 -0.260 0.000 0.650 941 G HN 1.066 nan 8.290 nan 0.000 0.529 942 A N -0.367 121.834 122.820 -1.030 0.000 2.561 942 A HA 0.509 4.829 4.320 -0.001 0.000 0.234 942 A C 0.582 177.666 177.584 -0.833 0.000 1.055 942 A CA 1.028 52.050 52.037 -1.691 0.000 0.756 942 A CB 0.189 17.915 19.000 -2.123 0.000 0.986 942 A HN 0.661 nan 8.150 nan 0.000 0.505 943 Q N 0.675 120.086 119.800 -0.649 0.000 2.387 943 Q HA 0.523 4.863 4.340 -0.001 0.000 0.273 943 Q C 1.103 176.978 176.000 -0.209 0.000 1.089 943 Q CA -0.195 55.421 55.803 -0.311 0.000 0.824 943 Q CB 2.001 30.625 28.738 -0.189 0.000 1.367 943 Q HN 0.810 nan 8.270 nan 0.000 0.443 944 G N 0.229 108.953 108.800 -0.127 0.000 2.623 944 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.214 944 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.214 944 G C 0.187 175.073 174.900 -0.023 0.000 1.138 944 G CA 0.570 45.624 45.100 -0.076 0.000 0.794 944 G HN 0.446 nan 8.290 nan 0.000 0.535 945 Q N -1.428 118.370 119.800 -0.003 0.000 2.527 945 Q HA 0.524 4.864 4.340 -0.001 0.000 0.280 945 Q C -2.386 173.650 176.000 0.060 0.000 0.977 945 Q CA -0.947 54.875 55.803 0.031 0.000 0.837 945 Q CB 2.051 30.796 28.738 0.011 0.000 1.454 945 Q HN 0.029 nan 8.270 nan 0.000 0.387 946 F N 1.195 121.062 119.950 -0.139 0.000 2.561 946 F HA 0.634 5.161 4.527 -0.001 0.000 0.313 946 F C 0.423 175.986 175.800 -0.396 0.000 1.126 946 F CA 0.446 58.299 58.000 -0.245 0.000 0.918 946 F CB 2.087 40.955 39.000 -0.221 0.000 1.199 946 F HN 0.687 nan 8.300 nan 0.000 0.444 947 G N 3.169 111.034 108.800 -1.558 0.000 2.131 947 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.223 947 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.223 947 G C 0.975 175.192 174.900 -1.138 0.000 0.990 947 G CA 0.226 44.097 45.100 -2.049 0.000 0.671 947 G HN 1.558 nan 8.290 nan 0.000 0.521 948 G N 0.912 109.352 108.800 -0.599 0.000 2.471 948 G HA2 0.067 4.027 3.960 -0.001 0.000 0.219 948 G HA3 0.067 4.027 3.960 -0.001 0.000 0.219 948 G C 1.230 176.069 174.900 -0.102 0.000 1.125 948 G CA 1.677 46.665 45.100 -0.186 0.000 0.775 948 G HN 0.754 nan 8.290 nan 0.000 0.548 949 D N -0.553 119.693 120.400 -0.256 0.000 2.349 949 D HA 0.005 4.644 4.640 -0.001 0.000 0.214 949 D C 0.149 176.445 176.300 -0.006 0.000 1.063 949 D CA -0.357 53.589 54.000 -0.091 0.000 0.847 949 D CB -0.450 40.303 40.800 -0.078 0.000 0.933 949 D HN 0.189 nan 8.370 nan 0.000 0.513 950 H N 1.727 120.693 119.070 -0.172 0.000 2.815 950 H HA 0.299 4.854 4.556 -0.001 0.000 0.350 950 H C -1.991 173.312 175.328 -0.042 0.000 1.080 950 H CA -1.975 53.997 56.048 -0.128 0.000 1.433 950 H CB -0.179 29.460 29.762 -0.205 0.000 1.432 950 H HN 0.030 nan 8.280 nan 0.000 0.592 951 P HA 0.014 nan 4.420 nan 0.000 0.271 951 P C -0.197 177.172 177.300 0.115 0.000 1.216 951 P CA -0.135 63.029 63.100 0.108 0.000 0.771 951 P CB 0.734 32.474 31.700 0.067 0.000 0.864 952 S N 2.525 118.327 115.700 0.170 0.000 2.464 952 S HA 0.558 5.028 4.470 -0.001 0.000 0.313 952 S C 0.113 174.814 174.600 0.168 0.000 1.078 952 S CA -0.610 57.715 58.200 0.209 0.000 1.096 952 S CB -0.791 62.651 63.200 0.404 0.000 1.032 952 S HN 0.498 nan 8.310 nan 0.000 0.498 953 A N 4.841 127.749 122.820 0.146 0.000 2.406 953 A HA 0.447 4.767 4.320 -0.001 0.000 0.243 953 A C 0.624 178.262 177.584 0.089 0.000 1.082 953 A CA -0.621 51.480 52.037 0.107 0.000 0.786 953 A CB 0.122 19.182 19.000 0.101 0.000 1.029 953 A HN 0.973 nan 8.150 nan 0.000 0.495 954 R N 0.880 121.400 120.500 0.034 0.000 2.697 954 R HA -0.026 4.313 4.340 -0.001 0.000 0.265 954 R C 0.774 177.064 176.300 -0.018 0.000 1.009 954 R CA 0.715 56.805 56.100 -0.017 0.000 1.099 954 R CB 0.158 30.437 30.300 -0.035 0.000 0.965 954 R HN 0.901 nan 8.270 nan 0.000 0.428 955 E N 1.515 121.662 120.200 -0.089 0.000 2.209 955 E HA -0.253 4.097 4.350 -0.001 0.000 0.196 955 E C 0.268 176.882 176.600 0.023 0.000 0.993 955 E CA 1.605 57.938 56.400 -0.112 0.000 0.819 955 E CB -0.144 29.468 29.700 -0.146 0.000 0.745 955 E HN 0.852 nan 8.360 nan 0.000 0.477 956 D N 0.628 121.003 120.400 -0.042 0.000 2.349 956 D HA -0.001 4.639 4.640 -0.001 0.000 0.224 956 D C 0.353 176.633 176.300 -0.033 0.000 1.029 956 D CA -0.102 53.831 54.000 -0.111 0.000 0.879 956 D CB -0.057 40.622 40.800 -0.202 0.000 0.906 956 D HN 0.180 nan 8.370 nan 0.000 0.528 957 L N 0.778 122.032 121.223 0.051 0.000 2.309 957 L HA 0.516 4.856 4.340 -0.001 0.000 0.282 957 L C -1.103 175.880 176.870 0.189 0.000 1.036 957 L CA -0.468 54.421 54.840 0.081 0.000 0.806 957 L CB 1.682 43.780 42.059 0.064 0.000 1.220 957 L HN -0.199 nan 8.230 nan 0.000 0.429 958 D N 2.513 123.045 120.400 0.220 0.000 2.671 958 D HA 0.372 5.012 4.640 -0.001 0.000 0.232 958 D C -1.370 175.081 176.300 0.252 0.000 1.114 958 D CA -0.297 53.860 54.000 0.261 0.000 0.858 958 D CB 2.367 43.368 40.800 0.335 0.000 1.544 958 D HN 0.233 nan 8.370 nan 0.000 0.471 959 V N 3.541 123.581 119.914 0.211 0.000 2.258 959 V HA 0.134 4.254 4.120 -0.001 0.000 0.258 959 V C 1.282 177.504 176.094 0.212 0.000 1.121 959 V CA -0.056 62.381 62.300 0.228 0.000 0.942 959 V CB 0.434 32.379 31.823 0.202 0.000 1.170 959 V HN 0.615 nan 8.190 nan 0.000 0.487 960 S N 3.145 118.999 115.700 0.256 0.000 2.368 960 S HA -0.032 4.437 4.470 -0.001 0.000 0.225 960 S C 0.679 175.327 174.600 0.079 0.000 1.030 960 S CA 0.974 59.276 58.200 0.171 0.000 0.999 960 S CB 0.135 63.494 63.200 0.264 0.000 0.844 960 S HN 0.510 nan 8.310 nan 0.000 0.459 961 V N 1.183 121.185 119.914 0.147 0.000 2.841 961 V HA 0.571 4.690 4.120 -0.001 0.000 0.310 961 V C -0.755 175.412 176.094 0.121 0.000 1.090 961 V CA -0.658 61.706 62.300 0.106 0.000 0.930 961 V CB 1.953 33.857 31.823 0.135 0.000 1.014 961 V HN 0.382 nan 8.190 nan 0.000 0.425 962 M N 5.024 124.615 119.600 -0.014 0.000 2.165 962 M HA 0.667 5.147 4.480 -0.001 0.000 0.283 962 M C -1.195 174.938 176.300 -0.279 0.000 0.978 962 M CA -0.453 54.712 55.300 -0.225 0.000 0.948 962 M CB 1.500 33.980 32.600 -0.200 0.000 1.599 962 M HN 0.768 nan 8.290 nan 0.000 0.450 963 R N 3.967 124.228 120.500 -0.397 0.000 2.515 963 R HA 0.449 4.788 4.340 -0.001 0.000 0.291 963 R C -1.375 174.698 176.300 -0.380 0.000 1.046 963 R CA -0.697 55.221 56.100 -0.303 0.000 0.914 963 R CB 1.845 32.053 30.300 -0.153 0.000 1.191 963 R HN 0.903 nan 8.270 nan 0.000 0.435 964 R N 4.623 124.955 120.500 -0.280 0.000 2.401 964 R HA 0.119 4.459 4.340 -0.001 0.000 0.299 964 R C 0.169 176.360 176.300 -0.181 0.000 1.064 964 R CA 0.114 56.079 56.100 -0.226 0.000 1.000 964 R CB 0.557 30.782 30.300 -0.125 0.000 0.973 964 R HN 0.699 nan 8.270 nan 0.000 0.438 965 L N 3.230 124.338 121.223 -0.192 0.000 2.640 965 L HA 0.158 4.497 4.340 -0.001 0.000 0.230 965 L C 0.316 177.136 176.870 -0.084 0.000 1.123 965 L CA -0.063 54.688 54.840 -0.148 0.000 0.900 965 L CB 0.338 42.276 42.059 -0.201 0.000 1.146 965 L HN 0.692 nan 8.230 nan 0.000 0.484 966 T N -2.845 111.670 114.554 -0.065 0.000 2.887 966 T HA 0.456 4.805 4.350 -0.001 0.000 0.288 966 T C -0.192 174.500 174.700 -0.012 0.000 1.021 966 T CA -0.950 61.130 62.100 -0.034 0.000 1.000 966 T CB 2.384 71.238 68.868 -0.024 0.000 1.034 966 T HN -0.087 nan 8.240 nan 0.000 0.467 967 K N 0.974 121.372 120.400 -0.003 0.000 2.102 967 K HA 0.313 4.633 4.320 -0.001 0.000 0.244 967 K C 1.696 178.309 176.600 0.022 0.000 1.021 967 K CA -0.233 56.063 56.287 0.015 0.000 0.913 967 K CB 0.706 33.213 32.500 0.011 0.000 1.062 967 K HN 0.814 nan 8.250 nan 0.000 0.485 968 S N -0.448 115.273 115.700 0.036 0.000 2.399 968 S HA -0.163 4.307 4.470 -0.001 0.000 0.231 968 S C 1.871 176.484 174.600 0.021 0.000 1.022 968 S CA 1.614 59.833 58.200 0.032 0.000 0.983 968 S CB -0.397 62.826 63.200 0.039 0.000 0.803 968 S HN 0.656 nan 8.310 nan 0.000 0.480 969 S N 1.719 117.430 115.700 0.019 0.000 2.555 969 S HA 0.386 4.856 4.470 -0.001 0.000 0.230 969 S C 0.791 175.396 174.600 0.009 0.000 0.978 969 S CA 0.089 58.297 58.200 0.014 0.000 0.934 969 S CB -0.737 62.471 63.200 0.013 0.000 0.766 969 S HN 0.809 nan 8.310 nan 0.000 0.533 970 A N 1.720 124.544 122.820 0.007 0.000 2.454 970 A HA 0.382 4.702 4.320 -0.001 0.000 0.260 970 A C 1.221 178.810 177.584 0.007 0.000 1.106 970 A CA -0.408 51.630 52.037 0.002 0.000 0.780 970 A CB 0.234 19.233 19.000 -0.003 0.000 1.044 970 A HN 0.466 nan 8.150 nan 0.000 0.498 971 K N 1.707 122.110 120.400 0.005 0.000 2.032 971 K HA -0.096 4.224 4.320 -0.001 0.000 0.209 971 K C 0.116 176.724 176.600 0.014 0.000 1.048 971 K CA 1.696 57.988 56.287 0.009 0.000 0.927 971 K CB -0.051 32.451 32.500 0.004 0.000 0.712 971 K HN 0.670 nan 8.250 nan 0.000 0.441 972 T N 2.466 117.025 114.554 0.008 0.000 2.753 972 T HA 0.177 4.527 4.350 -0.001 0.000 0.297 972 T C -0.786 173.926 174.700 0.020 0.000 0.981 972 T CA -0.647 61.460 62.100 0.012 0.000 0.956 972 T CB 1.398 70.263 68.868 -0.005 0.000 0.936 972 T HN 0.086 nan 8.240 nan 0.000 0.463 973 Q N 2.758 122.590 119.800 0.053 0.000 2.340 973 Q HA 0.407 4.747 4.340 -0.001 0.000 0.249 973 Q C 0.089 176.139 176.000 0.084 0.000 0.957 973 Q CA 0.037 55.875 55.803 0.058 0.000 0.882 973 Q CB 1.288 30.066 28.738 0.065 0.000 1.235 973 Q HN 0.551 nan 8.270 nan 0.000 0.439 974 R N 0.331 120.846 120.500 0.025 0.000 2.575 974 R HA 0.639 4.979 4.340 -0.001 0.000 0.293 974 R C -1.084 175.165 176.300 -0.086 0.000 0.983 974 R CA -0.652 55.446 56.100 -0.004 0.000 0.887 974 R CB 1.826 32.090 30.300 -0.060 0.000 1.184 974 R HN 0.248 nan 8.270 nan 0.000 0.445 975 V N 1.624 121.482 119.914 -0.092 0.000 2.487 975 V HA 0.597 4.717 4.120 -0.001 0.000 0.298 975 V C 0.233 176.024 176.094 -0.506 0.000 1.028 975 V CA -0.834 61.277 62.300 -0.316 0.000 0.860 975 V CB 1.972 33.617 31.823 -0.297 0.000 0.991 975 V HN 0.944 nan 8.190 nan 0.000 0.427 976 G N 3.091 111.392 108.800 -0.832 0.000 2.371 976 G HA2 0.662 4.621 3.960 -0.001 0.000 0.326 976 G HA3 0.662 4.621 3.960 -0.001 0.000 0.326 976 G C -1.623 172.791 174.900 -0.810 0.000 1.127 976 G CA -0.307 44.126 45.100 -1.111 0.000 0.885 976 G HN 0.512 nan 8.290 nan 0.000 0.477 977 Y N 0.378 120.738 120.300 0.100 0.000 2.425 977 Y HA 0.476 5.025 4.550 -0.001 0.000 0.344 977 Y C -0.144 176.016 175.900 0.432 0.000 0.969 977 Y CA -0.918 57.346 58.100 0.274 0.000 1.052 977 Y CB 2.770 41.363 38.460 0.221 0.000 1.215 977 Y HN 0.333 nan 8.280 nan 0.000 0.451 978 V N 4.972 125.178 119.914 0.486 0.000 2.357 978 V HA 0.346 4.466 4.120 -0.001 0.000 0.284 978 V C -0.884 175.427 176.094 0.362 0.000 1.018 978 V CA -0.636 61.867 62.300 0.339 0.000 0.841 978 V CB 1.418 33.392 31.823 0.252 0.000 0.991 978 V HN 0.485 nan 8.190 nan 0.000 0.437 979 L N 5.407 126.829 121.223 0.331 0.000 2.296 979 L HA 0.547 4.887 4.340 -0.001 0.000 0.286 979 L C -0.347 176.715 176.870 0.320 0.000 1.023 979 L CA -0.003 55.028 54.840 0.319 0.000 0.812 979 L CB 1.107 43.355 42.059 0.315 0.000 1.223 979 L HN 0.698 nan 8.230 nan 0.000 0.421 980 H N 5.268 124.481 119.070 0.240 0.000 2.529 980 H HA 0.440 4.995 4.556 -0.001 0.000 0.348 980 H C -1.168 174.236 175.328 0.126 0.000 1.079 980 H CA -0.853 55.306 56.048 0.184 0.000 1.198 980 H CB 1.604 31.538 29.762 0.287 0.000 1.521 980 H HN 0.615 nan 8.280 nan 0.000 0.514 981 R N 4.002 124.125 120.500 -0.629 0.000 2.343 981 R HA 0.219 4.558 4.340 -0.001 0.000 0.320 981 R C -0.448 175.403 176.300 -0.748 0.000 0.956 981 R CA -0.359 55.450 56.100 -0.486 0.000 0.836 981 R CB 1.804 31.958 30.300 -0.243 0.000 1.151 981 R HN 0.693 nan 8.270 nan 0.000 0.450 982 T N 1.520 115.779 114.554 -0.491 0.000 2.833 982 T HA 0.206 4.555 4.350 -0.001 0.000 0.292 982 T C -0.533 173.976 174.700 -0.318 0.000 1.031 982 T CA -0.456 61.453 62.100 -0.318 0.000 0.937 982 T CB 0.605 69.370 68.868 -0.171 0.000 1.256 982 T HN 0.690 nan 8.240 nan 0.000 0.551 983 N N 0.569 119.106 118.700 -0.271 0.000 2.461 983 N HA 0.452 5.191 4.740 -0.001 0.000 0.284 983 N C -1.499 173.836 175.510 -0.292 0.000 1.049 983 N CA -0.479 52.353 53.050 -0.362 0.000 0.889 983 N CB 0.672 38.785 38.487 -0.624 0.000 1.365 983 N HN 0.469 nan 8.380 nan 0.000 0.499 984 L N 2.978 124.033 121.223 -0.281 0.000 2.317 984 L HA 0.525 4.864 4.340 -0.001 0.000 0.281 984 L C 0.557 177.300 176.870 -0.212 0.000 1.024 984 L CA -0.897 53.813 54.840 -0.216 0.000 0.810 984 L CB 1.516 43.459 42.059 -0.194 0.000 1.240 984 L HN 0.399 nan 8.230 nan 0.000 0.427 985 M N 2.531 122.026 119.600 -0.175 0.000 2.249 985 M HA 0.068 4.547 4.480 -0.001 0.000 0.340 985 M C -0.098 176.117 176.300 -0.143 0.000 1.166 985 M CA 0.005 55.208 55.300 -0.162 0.000 1.115 985 M CB 0.370 32.882 32.600 -0.147 0.000 1.606 985 M HN 0.476 nan 8.290 nan 0.000 0.448 986 Q N 2.069 121.791 119.800 -0.130 0.000 2.307 986 Q HA 0.187 4.527 4.340 -0.001 0.000 0.259 986 Q C -0.213 175.733 176.000 -0.090 0.000 0.998 986 Q CA 0.109 55.849 55.803 -0.105 0.000 0.923 986 Q CB 0.905 29.586 28.738 -0.096 0.000 1.196 986 Q HN 0.802 nan 8.270 nan 0.000 0.416 987 c N 0.655 119.205 118.600 -0.083 0.000 3.240 987 c HA 0.359 4.929 4.570 -0.001 0.000 0.271 987 c C 1.193 175.247 174.090 -0.059 0.000 1.534 987 c CA -0.064 56.221 56.329 -0.074 0.000 1.796 987 c CB -0.350 42.111 42.510 -0.083 0.000 2.892 987 c HN 1.015 nan 8.230 nan 0.000 0.566 988 G N 1.616 110.383 108.800 -0.055 0.000 2.132 988 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.228 988 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.228 988 G C -0.096 174.780 174.900 -0.040 0.000 1.000 988 G CA 0.385 45.459 45.100 -0.044 0.000 0.693 988 G HN 0.450 nan 8.290 nan 0.000 0.515 989 T N 1.263 115.790 114.554 -0.045 0.000 2.893 989 T HA 0.502 4.851 4.350 -0.001 0.000 0.324 989 T C -0.649 174.027 174.700 -0.039 0.000 1.082 989 T CA -0.677 61.400 62.100 -0.039 0.000 0.983 989 T CB 2.135 70.978 68.868 -0.042 0.000 1.005 989 T HN -0.000 nan 8.240 nan 0.000 0.475 990 P HA -0.197 nan 4.420 nan 0.000 0.216 990 P C -0.030 177.249 177.300 -0.036 0.000 1.167 990 P CA 0.978 64.063 63.100 -0.025 0.000 0.933 990 P CB -0.071 31.626 31.700 -0.005 0.000 0.793 991 E N -0.288 119.892 120.200 -0.033 0.000 2.446 991 E HA -0.201 4.149 4.350 -0.001 0.000 0.162 991 E C 0.118 176.654 176.600 -0.107 0.000 1.797 991 E CA 0.280 56.640 56.400 -0.068 0.000 0.619 991 E CB -0.685 28.969 29.700 -0.077 0.000 1.050 991 E HN 0.386 nan 8.360 nan 0.000 0.321 992 E N 0.948 121.081 120.200 -0.111 0.000 2.549 992 E HA 0.263 4.612 4.350 -0.001 0.000 0.200 992 E C -0.043 176.360 176.600 -0.328 0.000 0.732 992 E CA -0.369 55.961 56.400 -0.116 0.000 0.987 992 E CB 0.238 29.947 29.700 0.015 0.000 1.810 992 E HN 0.587 nan 8.360 nan 0.000 0.377 993 H N -0.274 118.789 119.070 -0.012 0.000 2.861 993 H HA -0.122 4.434 4.556 -0.001 0.000 0.319 993 H C -1.214 174.118 175.328 0.007 0.000 0.994 993 H CA 0.862 56.906 56.048 -0.005 0.000 1.032 993 H CB -2.613 27.143 29.762 -0.009 0.000 1.615 993 H HN 0.387 nan 8.280 nan 0.000 0.357 994 T N 0.847 115.412 114.554 0.018 0.000 2.909 994 T HA 0.529 4.879 4.350 -0.001 0.000 0.299 994 T C -0.108 174.617 174.700 0.043 0.000 1.073 994 T CA -1.115 60.995 62.100 0.018 0.000 0.999 994 T CB 2.551 71.404 68.868 -0.026 0.000 1.098 994 T HN 0.579 nan 8.240 nan 0.000 0.477 995 Q N 1.439 121.277 119.800 0.063 0.000 2.352 995 Q HA 0.291 4.630 4.340 -0.001 0.000 0.260 995 Q C 0.034 176.054 176.000 0.034 0.000 0.976 995 Q CA -0.546 55.289 55.803 0.053 0.000 0.881 995 Q CB 0.976 29.757 28.738 0.073 0.000 1.235 995 Q HN 0.555 nan 8.270 nan 0.000 0.419 996 K N 2.280 122.690 120.400 0.016 0.000 2.298 996 K HA 0.140 4.460 4.320 -0.001 0.000 0.280 996 K C -1.060 175.540 176.600 -0.001 0.000 1.032 996 K CA -0.463 55.824 56.287 0.001 0.000 0.958 996 K CB 0.473 32.965 32.500 -0.014 0.000 0.978 996 K HN 0.420 nan 8.250 nan 0.000 0.472 997 L N 4.464 125.684 121.223 -0.005 0.000 2.272 997 L HA 0.275 4.614 4.340 -0.001 0.000 0.289 997 L C -1.077 175.758 176.870 -0.060 0.000 1.032 997 L CA -0.008 54.822 54.840 -0.017 0.000 0.810 997 L CB 1.167 43.225 42.059 -0.001 0.000 1.205 997 L HN 0.625 nan 8.230 nan 0.000 0.422 998 D N 3.546 123.903 120.400 -0.072 0.000 2.464 998 D HA 0.160 4.800 4.640 -0.001 0.000 0.243 998 D C 1.039 177.242 176.300 -0.161 0.000 1.104 998 D CA -0.276 53.661 54.000 -0.104 0.000 0.883 998 D CB 1.188 41.974 40.800 -0.023 0.000 1.050 998 D HN 0.380 nan 8.370 nan 0.000 0.524 999 V N 1.447 121.171 119.914 -0.316 0.000 2.594 999 V HA -0.182 3.937 4.120 -0.001 0.000 0.253 999 V C 2.139 177.920 176.094 -0.521 0.000 1.069 999 V CA 1.112 63.047 62.300 -0.608 0.000 1.082 999 V CB -1.084 30.103 31.823 -1.059 0.000 0.680 999 V HN 0.612 nan 8.190 nan 0.000 0.469 1000 c N 0.614 119.046 118.600 -0.280 0.000 2.432 1000 c HA -0.022 4.547 4.570 -0.001 0.000 0.282 1000 c C 2.220 176.202 174.090 -0.180 0.000 1.388 1000 c CA 1.401 57.634 56.329 -0.161 0.000 1.777 1000 c CB -1.713 40.687 42.510 -0.184 0.000 1.882 1000 c HN 0.773 nan 8.230 nan 0.000 0.520 1001 H N -0.863 118.186 119.070 -0.035 0.000 2.549 1001 H HA 0.251 4.807 4.556 -0.001 0.000 0.279 1001 H C 1.763 177.124 175.328 0.055 0.000 1.018 1001 H CA 0.003 56.070 56.048 0.032 0.000 1.175 1001 H CB 0.024 29.788 29.762 0.002 0.000 1.485 1001 H HN 0.352 nan 8.280 nan 0.000 0.543 1002 L N -0.150 121.129 121.223 0.092 0.000 2.083 1002 L HA -0.066 4.274 4.340 -0.001 0.000 0.209 1002 L C 0.269 177.273 176.870 0.224 0.000 1.083 1002 L CA 0.989 55.908 54.840 0.133 0.000 0.752 1002 L CB 0.011 42.112 42.059 0.070 0.000 0.899 1002 L HN 0.212 nan 8.230 nan 0.000 0.433 1003 L N 0.008 121.325 121.223 0.157 0.000 2.334 1003 L HA 0.370 4.710 4.340 -0.001 0.000 0.275 1003 L C -2.037 174.877 176.870 0.074 0.000 1.036 1003 L CA -1.958 52.905 54.840 0.039 0.000 0.807 1003 L CB 1.438 43.286 42.059 -0.351 0.000 1.231 1003 L HN -0.179 nan 8.230 nan 0.000 0.438 1004 P HA 0.102 nan 4.420 nan 0.000 0.274 1004 P C -0.856 176.558 177.300 0.191 0.000 1.246 1004 P CA -0.216 62.956 63.100 0.120 0.000 0.795 1004 P CB 0.530 32.279 31.700 0.082 0.000 1.006 1005 N N -2.801 115.996 118.700 0.163 0.000 2.754 1005 N HA -0.150 4.590 4.740 -0.001 0.000 0.248 1005 N C 0.054 175.654 175.510 0.149 0.000 1.093 1005 N CA -0.006 53.130 53.050 0.143 0.000 0.699 1005 N CB -1.709 36.850 38.487 0.121 0.000 1.016 1005 N HN 0.265 nan 8.380 nan 0.000 0.552 1006 V N 0.224 120.192 119.914 0.090 0.000 2.585 1006 V HA 0.370 4.490 4.120 -0.001 0.000 0.296 1006 V C 1.192 177.191 176.094 -0.157 0.000 1.035 1006 V CA 1.128 63.310 62.300 -0.195 0.000 1.084 1006 V CB 1.184 32.807 31.823 -0.335 0.000 0.953 1006 V HN 0.393 nan 8.190 nan 0.000 0.483 1007 A N 7.146 129.851 122.820 -0.192 0.000 2.229 1007 A HA 0.478 4.797 4.320 -0.001 0.000 0.211 1007 A C 0.944 178.489 177.584 -0.065 0.000 1.193 1007 A CA 0.048 52.031 52.037 -0.089 0.000 0.879 1007 A CB 0.205 19.170 19.000 -0.059 0.000 0.911 1007 A HN 0.793 nan 8.150 nan 0.000 0.492 1008 R N -1.759 118.671 120.500 -0.117 0.000 2.634 1008 R HA 0.464 4.803 4.340 -0.001 0.000 0.263 1008 R C -2.343 173.920 176.300 -0.063 0.000 1.060 1008 R CA -0.326 55.763 56.100 -0.019 0.000 0.898 1008 R CB 1.299 31.615 30.300 0.026 0.000 1.253 1008 R HN 0.304 nan 8.270 nan 0.000 0.461 1009 c N 2.693 121.300 118.600 0.011 0.000 2.481 1009 c HA 0.643 5.213 4.570 -0.001 0.000 0.324 1009 c C -1.263 172.898 174.090 0.118 0.000 1.170 1009 c CA -0.172 56.167 56.329 0.017 0.000 1.361 1009 c CB 1.290 43.765 42.510 -0.060 0.000 1.977 1009 c HN 0.935 nan 8.230 nan 0.000 0.459 1010 E N 2.860 123.165 120.200 0.173 0.000 2.317 1010 E HA 0.469 4.819 4.350 -0.001 0.000 0.270 1010 E C -1.108 175.669 176.600 0.294 0.000 0.885 1010 E CA -0.683 55.844 56.400 0.213 0.000 0.760 1010 E CB 2.022 31.818 29.700 0.160 0.000 1.227 1010 E HN 0.649 nan 8.360 nan 0.000 0.434 1011 R N 1.392 122.046 120.500 0.256 0.000 2.297 1011 R HA 0.395 4.735 4.340 -0.001 0.000 0.308 1011 R C -0.519 175.824 176.300 0.072 0.000 1.029 1011 R CA 0.031 56.227 56.100 0.160 0.000 0.929 1011 R CB 0.815 31.196 30.300 0.134 0.000 1.046 1011 R HN 0.725 nan 8.270 nan 0.000 0.461 1012 T N -0.409 114.159 114.554 0.023 0.000 2.858 1012 T HA 0.394 4.743 4.350 -0.001 0.000 0.285 1012 T C 0.126 174.815 174.700 -0.017 0.000 1.052 1012 T CA -0.770 61.360 62.100 0.050 0.000 1.009 1012 T CB 1.320 70.284 68.868 0.160 0.000 1.241 1012 T HN 0.584 nan 8.240 nan 0.000 0.542 1013 T N 0.062 114.609 114.554 -0.012 0.000 2.802 1013 T HA 0.305 4.654 4.350 -0.001 0.000 0.305 1013 T C 1.610 176.231 174.700 -0.132 0.000 1.053 1013 T CA -0.808 61.260 62.100 -0.053 0.000 1.058 1013 T CB -0.001 68.852 68.868 -0.025 0.000 0.988 1013 T HN 0.554 nan 8.240 nan 0.000 0.539 1014 L N 0.863 121.990 121.223 -0.161 0.000 2.362 1014 L HA -0.029 4.310 4.340 -0.001 0.000 0.219 1014 L C 2.809 179.374 176.870 -0.508 0.000 1.134 1014 L CA 1.313 55.985 54.840 -0.280 0.000 0.807 1014 L CB -1.040 40.942 42.059 -0.129 0.000 0.927 1014 L HN 0.969 nan 8.230 nan 0.000 0.447 1015 T N -4.866 109.500 114.554 -0.313 0.000 3.129 1015 T HA 0.002 4.351 4.350 -0.001 0.000 0.251 1015 T C 0.752 175.332 174.700 -0.199 0.000 1.117 1015 T CA -0.209 61.736 62.100 -0.258 0.000 1.034 1015 T CB -0.166 68.684 68.868 -0.030 0.000 0.968 1015 T HN 0.202 nan 8.240 nan 0.000 0.526 1016 F N -0.787 119.173 119.950 0.016 0.000 2.914 1016 F HA -0.192 4.335 4.527 -0.001 0.000 0.304 1016 F C 0.990 176.789 175.800 -0.001 0.000 0.712 1016 F CA -0.086 57.916 58.000 0.004 0.000 1.211 1016 F CB -2.374 36.623 39.000 -0.005 0.000 1.515 1016 F HN 0.250 nan 8.300 nan 0.000 0.350 1017 L N -0.862 120.437 121.223 0.127 0.000 2.558 1017 L HA 0.110 4.449 4.340 -0.001 0.000 0.225 1017 L C 1.029 177.923 176.870 0.040 0.000 1.128 1017 L CA 0.856 55.741 54.840 0.074 0.000 0.868 1017 L CB 0.146 42.233 42.059 0.047 0.000 1.006 1017 L HN 0.360 nan 8.230 nan 0.000 0.454 1018 Q N 0.421 120.245 119.800 0.041 0.000 2.289 1018 Q HA 0.271 4.611 4.340 -0.001 0.000 0.270 1018 Q C -1.232 174.788 176.000 0.033 0.000 1.038 1018 Q CA -0.690 55.125 55.803 0.020 0.000 0.812 1018 Q CB 1.912 30.648 28.738 -0.004 0.000 1.300 1018 Q HN 0.079 nan 8.270 nan 0.000 0.427 1019 N N 4.399 123.116 118.700 0.029 0.000 2.458 1019 N HA 0.195 4.934 4.740 -0.001 0.000 0.270 1019 N C 0.291 175.820 175.510 0.033 0.000 1.102 1019 N CA 0.233 53.308 53.050 0.042 0.000 0.967 1019 N CB 1.123 39.630 38.487 0.034 0.000 1.078 1019 N HN 0.647 nan 8.380 nan 0.000 0.471 1020 L N 0.531 121.779 121.223 0.043 0.000 2.500 1020 L HA 0.291 4.630 4.340 -0.001 0.000 0.219 1020 L C 0.602 177.502 176.870 0.051 0.000 1.057 1020 L CA 0.371 55.230 54.840 0.031 0.000 0.854 1020 L CB 0.370 42.437 42.059 0.014 0.000 1.078 1020 L HN 0.528 nan 8.230 nan 0.000 0.480 1021 E N -0.237 120.013 120.200 0.084 0.000 2.321 1021 E HA 0.116 4.466 4.350 -0.001 0.000 0.281 1021 E C -1.260 175.438 176.600 0.164 0.000 0.910 1021 E CA -0.554 55.911 56.400 0.108 0.000 0.770 1021 E CB 1.489 31.247 29.700 0.095 0.000 1.225 1021 E HN 0.109 nan 8.360 nan 0.000 0.417 1022 H N 6.106 125.200 119.070 0.041 0.000 2.742 1022 H HA 0.274 4.829 4.556 -0.001 0.000 0.302 1022 H C -0.690 174.662 175.328 0.039 0.000 1.069 1022 H CA -0.424 55.645 56.048 0.035 0.000 1.446 1022 H CB 0.629 30.403 29.762 0.019 0.000 1.462 1022 H HN 0.386 nan 8.280 nan 0.000 0.499 1023 L N 5.433 126.578 121.223 -0.131 0.000 2.276 1023 L HA 0.106 4.445 4.340 -0.001 0.000 0.286 1023 L C 0.327 177.023 176.870 -0.290 0.000 1.061 1023 L CA -0.755 53.991 54.840 -0.156 0.000 0.807 1023 L CB 1.090 43.121 42.059 -0.046 0.000 1.177 1023 L HN 0.636 nan 8.230 nan 0.000 0.429 1024 D N 2.759 123.038 120.400 -0.202 0.000 2.458 1024 D HA 0.133 4.772 4.640 -0.001 0.000 0.243 1024 D C 1.128 177.369 176.300 -0.098 0.000 1.146 1024 D CA 1.263 55.166 54.000 -0.162 0.000 0.877 1024 D CB 1.391 42.137 40.800 -0.091 0.000 1.176 1024 D HN 0.848 nan 8.370 nan 0.000 0.461 1025 G N 3.465 112.219 108.800 -0.077 0.000 2.155 1025 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.257 1025 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.257 1025 G C 0.813 175.739 174.900 0.043 0.000 0.983 1025 G CA 0.408 45.502 45.100 -0.011 0.000 0.676 1025 G HN 0.659 nan 8.290 nan 0.000 0.528 1026 M N -2.457 117.124 119.600 -0.032 0.000 2.393 1026 M HA -0.193 4.287 4.480 -0.001 0.000 0.201 1026 M C 0.089 176.408 176.300 0.031 0.000 0.403 1026 M CA 0.874 56.149 55.300 -0.043 0.000 0.471 1026 M CB -1.863 30.683 32.600 -0.090 0.000 1.669 1026 M HN 0.216 nan 8.290 nan 0.000 0.864 1027 V N 0.694 120.619 119.914 0.018 0.000 2.417 1027 V HA 0.743 4.863 4.120 -0.001 0.000 0.291 1027 V C 0.570 176.585 176.094 -0.131 0.000 1.024 1027 V CA -0.389 61.917 62.300 0.009 0.000 0.861 1027 V CB 1.875 33.691 31.823 -0.011 0.000 0.985 1027 V HN 0.407 nan 8.190 nan 0.000 0.436 1028 A N 8.260 130.922 122.820 -0.263 0.000 2.279 1028 A HA 0.726 5.046 4.320 -0.001 0.000 0.306 1028 A C -2.124 175.207 177.584 -0.421 0.000 1.300 1028 A CA -1.421 50.249 52.037 -0.611 0.000 0.925 1028 A CB 0.057 18.353 19.000 -1.174 0.000 1.152 1028 A HN 0.621 nan 8.150 nan 0.000 0.544 1029 P HA 0.125 nan 4.420 nan 0.000 0.271 1029 P C -0.291 176.995 177.300 -0.024 0.000 1.233 1029 P CA -0.058 62.995 63.100 -0.080 0.000 0.789 1029 P CB 0.703 32.403 31.700 0.000 0.000 0.951 1030 E N -0.427 119.776 120.200 0.005 0.000 2.319 1030 E HA 0.296 4.646 4.350 -0.001 0.000 0.268 1030 E C 0.043 176.685 176.600 0.069 0.000 1.050 1030 E CA -0.972 55.453 56.400 0.041 0.000 0.878 1030 E CB 1.013 30.719 29.700 0.011 0.000 1.066 1030 E HN 0.286 nan 8.360 nan 0.000 0.406 1031 V N -1.167 118.794 119.914 0.078 0.000 3.134 1031 V HA 0.324 4.443 4.120 -0.001 0.000 0.313 1031 V C 0.293 176.385 176.094 -0.003 0.000 1.069 1031 V CA -1.018 61.315 62.300 0.055 0.000 1.048 1031 V CB 1.054 32.915 31.823 0.064 0.000 1.119 1031 V HN 0.740 nan 8.190 nan 0.000 0.461 1032 c N 2.060 120.654 118.600 -0.009 0.000 2.480 1032 c HA 0.448 5.018 4.570 -0.001 0.000 0.358 1032 c C -2.081 171.951 174.090 -0.097 0.000 1.309 1032 c CA -0.377 55.928 56.329 -0.040 0.000 2.465 1032 c CB 0.039 42.543 42.510 -0.010 0.000 2.379 1032 c HN 0.800 nan 8.230 nan 0.000 0.642 1033 P HA 0.069 nan 4.420 nan 0.000 0.264 1033 P C 0.242 177.375 177.300 -0.278 0.000 1.193 1033 P CA 0.966 63.925 63.100 -0.235 0.000 0.763 1033 P CB 0.200 31.745 31.700 -0.257 0.000 0.810 1034 M N -0.854 118.530 119.600 -0.361 0.000 2.939 1034 M HA -0.178 4.302 4.480 -0.001 0.000 0.194 1034 M C -0.067 176.195 176.300 -0.064 0.000 0.617 1034 M CA 1.342 56.403 55.300 -0.398 0.000 0.734 1034 M CB -2.039 30.004 32.600 -0.928 0.000 2.637 1034 M HN 0.400 nan 8.290 nan 0.000 0.316 1035 E N 0.440 120.622 120.200 -0.031 0.000 2.227 1035 E HA 0.720 5.069 4.350 -0.001 0.000 0.268 1035 E C 0.008 176.684 176.600 0.128 0.000 0.990 1035 E CA -0.041 56.435 56.400 0.128 0.000 0.856 1035 E CB 1.400 31.140 29.700 0.067 0.000 1.159 1035 E HN 0.163 nan 8.360 nan 0.000 0.401 1036 T N 0.490 115.138 114.554 0.156 0.000 2.886 1036 T HA 0.716 5.065 4.350 -0.001 0.000 0.292 1036 T C -0.873 173.842 174.700 0.026 0.000 1.012 1036 T CA -0.669 61.525 62.100 0.156 0.000 0.982 1036 T CB 1.634 70.602 68.868 0.167 0.000 1.018 1036 T HN 0.495 nan 8.240 nan 0.000 0.451 1037 A N 1.782 124.616 122.820 0.023 0.000 2.515 1037 A HA 0.993 5.312 4.320 -0.001 0.000 0.296 1037 A C -1.047 176.423 177.584 -0.190 0.000 1.094 1037 A CA -0.932 51.024 52.037 -0.135 0.000 0.718 1037 A CB 1.538 20.429 19.000 -0.181 0.000 1.307 1037 A HN 1.129 nan 8.150 nan 0.000 0.408 1038 A N 0.325 122.940 122.820 -0.342 0.000 2.365 1038 A HA 0.838 5.158 4.320 -0.001 0.000 0.318 1038 A C -1.616 175.745 177.584 -0.372 0.000 1.091 1038 A CA -0.359 51.578 52.037 -0.167 0.000 0.763 1038 A CB 0.788 19.744 19.000 -0.075 0.000 1.248 1038 A HN 0.886 nan 8.150 nan 0.000 0.442 1039 Y N -0.022 120.501 120.300 0.372 0.000 2.524 1039 Y HA 0.583 5.133 4.550 -0.001 0.000 0.347 1039 Y C -0.322 175.746 175.900 0.279 0.000 1.005 1039 Y CA -0.950 57.318 58.100 0.281 0.000 1.025 1039 Y CB 2.479 41.069 38.460 0.216 0.000 1.275 1039 Y HN 0.416 nan 8.280 nan 0.000 0.460 1040 V N 2.376 122.479 119.914 0.316 0.000 2.483 1040 V HA 0.508 4.628 4.120 -0.001 0.000 0.297 1040 V C -0.715 175.455 176.094 0.126 0.000 1.027 1040 V CA -0.931 61.443 62.300 0.123 0.000 0.855 1040 V CB 1.831 33.665 31.823 0.017 0.000 0.995 1040 V HN 0.824 nan 8.190 nan 0.000 0.424 1041 S N 3.401 119.180 115.700 0.132 0.000 2.489 1041 S HA 0.714 5.183 4.470 -0.001 0.000 0.291 1041 S C -0.236 174.287 174.600 -0.128 0.000 1.151 1041 S CA -0.586 57.625 58.200 0.017 0.000 1.082 1041 S CB 1.590 64.892 63.200 0.170 0.000 1.019 1041 S HN 0.561 nan 8.310 nan 0.000 0.492 1042 S N 2.777 118.286 115.700 -0.319 0.000 2.475 1042 S HA 0.518 4.988 4.470 -0.001 0.000 0.298 1042 S C -0.823 173.439 174.600 -0.563 0.000 1.119 1042 S CA -0.773 57.263 58.200 -0.273 0.000 1.085 1042 S CB 0.431 63.553 63.200 -0.129 0.000 1.028 1042 S HN 0.791 nan 8.310 nan 0.000 0.489 1043 H N 0.887 119.947 119.070 -0.017 0.000 2.667 1043 H HA 0.385 4.941 4.556 -0.001 0.000 0.353 1043 H C -0.168 175.157 175.328 -0.006 0.000 1.072 1043 H CA -0.621 55.421 56.048 -0.011 0.000 1.214 1043 H CB 1.674 31.432 29.762 -0.007 0.000 1.600 1043 H HN 0.652 nan 8.280 nan 0.000 0.527 1044 S N 0.000 115.749 115.700 0.082 0.000 2.498 1044 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.232 58.200 0.053 0.000 1.107 1044 S CB 0.000 63.220 63.200 0.033 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517