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 3dx3_1_A DATA FIRST_RESID 31 DATA SEQUENCE cQDVVQDVPN VDVQMLELYD RMSFKDIDGG VWKQGWNIKY DPLKYNAHHK DATA SEQUENCE LKVFVVPHSH NDPGWIQTFE EYYQHDTKHI LSNALRHLHD NPEMKFIWAE DATA SEQUENCE ISYFARFYHD LGENKKLQMK SIVKNGQLEF VTGGWVMPDE ANSHWRNVLL DATA SEQUENCE QLTEGQTWLK QFMNVTPTAS WAIDPFGHSP TMPYILQKSG FKNMLIQRTH DATA SEQUENCE YSVKKELAQQ RQLEFLWRQI WDNKGDTALF THMMPFYSYD IPHTcGPDPK DATA SEQUENCE VccQFDFKRM GSFGLScPWK VPPRTISDQN VAARSDLLVD QWKKKAELYR DATA SEQUENCE TNVLLIPLGD DFRFKQNTEW DVQRVNYERL FEHINSQAHF NVQAQFGTLQ DATA SEQUENCE EYFDAVHQAE RAGQAEFPTL SGDFFTYADR SDNYWSGYYT SRPYHKRMDR DATA SEQUENCE VLMHYVRAAE MLSAWHSWDG MARIEERLEQ ARRELSLFQH HDGITGTAKT DATA SEQUENCE HVVVDYEQRM QEALKACQMV MQQSVYRLLT KPSIYSPDFS FSYFTLDDSR DATA SEQUENCE WPGSGVEDSR TTIILGEDIL PSKHVVMHNT LPHWREQLVD FYVSSPFVSV DATA SEQUENCE TDLANNPVEA QVSPVWSWHH DTLTKTIHPQ GSTTKYRIIF KARVPPMGLA DATA SEQUENCE TYVLTISDSK PEHTSYASNL LLRKNPTSLP LGQYPEDVKF GDPREISLRV DATA SEQUENCE GNGPTLAFSE QGLLKSIQLT QDSPHVPVHF KFLKYGVRSH GDRSGAYLFL DATA SEQUENCE PNGPASPVEL GQPVVLVTKG KLESSVSVGL PSVVHQTIMR GGAPEIRNLV DATA SEQUENCE DIGSLDNTEI VMRLETHIDS GDIFYTDLNG LQFIKRRRLD KLPLQANYYP DATA SEQUENCE IPSGMFIEDA NTRLTLLTGQ PLGGSSLASG ELEIMQDRRL ASDDERGLGQ DATA SEQUENCE GVLDNKPVLH IYRLVLEKVN NcVRPSKLHP AGYLTSAAHK ASQSLLDPLD DATA SEQUENCE KFIFAENEWI GAQGQFGGDH PSAREDLDVS VMRRLTKSSA KTQRVGYVLH DATA SEQUENCE RTNLMQcGTP EEHTQKLDVc HLLPNVARcE RTTLTFLQNL EHLDGMVAPE DATA SEQUENCE VcPMETAAYV SSHSS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 31 c HA 0.000 nan 4.570 nan 0.000 0.325 31 c C 0.000 174.102 174.090 0.021 0.000 1.270 31 c CA 0.000 56.336 56.329 0.011 0.000 1.963 31 c CB 0.000 42.504 42.510 -0.011 0.000 2.134 32 Q N 1.485 121.313 119.800 0.047 0.000 2.361 32 Q HA 0.098 4.438 4.340 -0.001 0.000 0.276 32 Q C -0.146 175.884 176.000 0.050 0.000 1.022 32 Q CA 0.529 56.375 55.803 0.071 0.000 0.898 32 Q CB 0.755 29.573 28.738 0.133 0.000 1.246 32 Q HN 0.649 nan 8.270 nan 0.000 0.410 33 D N 1.882 122.312 120.400 0.050 0.000 2.325 33 D HA 0.051 4.691 4.640 -0.001 0.000 0.251 33 D C 0.514 176.859 176.300 0.076 0.000 1.196 33 D CA -0.161 53.852 54.000 0.020 0.000 0.866 33 D CB 1.242 42.053 40.800 0.020 0.000 1.101 33 D HN 0.389 nan 8.370 nan 0.000 0.476 34 V N 2.204 122.116 119.914 -0.004 0.000 3.647 34 V HA 0.086 4.206 4.120 -0.001 0.000 0.279 34 V C 1.104 177.242 176.094 0.073 0.000 1.314 34 V CA 0.100 62.456 62.300 0.093 0.000 1.125 34 V CB 0.245 31.947 31.823 -0.202 0.000 0.907 34 V HN 0.388 nan 8.190 nan 0.000 0.434 35 V N -0.085 119.789 119.914 -0.066 0.000 3.013 35 V HA 0.104 4.223 4.120 -0.001 0.000 0.238 35 V C 2.292 178.375 176.094 -0.018 0.000 1.161 35 V CA 1.203 63.421 62.300 -0.137 0.000 1.170 35 V CB 0.060 31.749 31.823 -0.224 0.000 0.917 35 V HN 0.476 nan 8.190 nan 0.000 0.478 36 Q N -0.274 119.558 119.800 0.052 0.000 2.384 36 Q HA 0.123 4.462 4.340 -0.001 0.000 0.207 36 Q C -0.478 175.603 176.000 0.136 0.000 0.904 36 Q CA 0.308 56.157 55.803 0.077 0.000 0.933 36 Q CB 0.621 29.377 28.738 0.030 0.000 1.077 36 Q HN 0.505 nan 8.270 nan 0.000 0.522 37 D N 1.232 121.745 120.400 0.188 0.000 2.441 37 D HA 0.174 4.813 4.640 -0.001 0.000 0.231 37 D C -0.702 175.709 176.300 0.184 0.000 1.073 37 D CA -0.257 53.838 54.000 0.158 0.000 0.850 37 D CB 2.140 43.011 40.800 0.118 0.000 1.062 37 D HN -0.172 nan 8.370 nan 0.000 0.524 38 V N 4.441 124.432 119.914 0.128 0.000 2.446 38 V HA 0.124 4.243 4.120 -0.001 0.000 0.276 38 V C -1.813 174.258 176.094 -0.038 0.000 1.030 38 V CA -1.086 61.211 62.300 -0.005 0.000 1.033 38 V CB 0.291 32.119 31.823 0.008 0.000 0.993 38 V HN 0.306 nan 8.190 nan 0.000 0.477 39 P HA 0.096 nan 4.420 nan 0.000 0.268 39 P C -0.416 176.856 177.300 -0.047 0.000 1.205 39 P CA -0.184 62.885 63.100 -0.052 0.000 0.771 39 P CB 0.357 32.009 31.700 -0.080 0.000 0.858 40 N N 2.540 121.227 118.700 -0.021 0.000 2.462 40 N HA 0.321 5.061 4.740 -0.001 0.000 0.242 40 N C -1.130 174.371 175.510 -0.014 0.000 1.010 40 N CA -0.418 52.623 53.050 -0.016 0.000 0.939 40 N CB 0.065 38.551 38.487 -0.002 0.000 1.127 40 N HN 0.126 nan 8.380 nan 0.000 0.509 41 V N 0.473 120.371 119.914 -0.026 0.000 2.914 41 V HA 0.541 4.661 4.120 -0.001 0.000 0.314 41 V C 0.601 176.679 176.094 -0.025 0.000 1.084 41 V CA -0.747 61.540 62.300 -0.022 0.000 0.963 41 V CB 2.072 33.870 31.823 -0.040 0.000 1.025 41 V HN 0.374 nan 8.190 nan 0.000 0.432 42 D N 1.155 121.546 120.400 -0.014 0.000 2.144 42 D HA 0.018 4.657 4.640 -0.001 0.000 0.200 42 D C 0.520 176.789 176.300 -0.052 0.000 0.978 42 D CA 1.574 55.562 54.000 -0.019 0.000 0.833 42 D CB 0.450 41.255 40.800 0.008 0.000 0.961 42 D HN 0.428 nan 8.370 nan 0.000 0.470 43 V N 1.481 121.342 119.914 -0.088 0.000 2.483 43 V HA 0.215 4.335 4.120 -0.001 0.000 0.297 43 V C -0.361 175.635 176.094 -0.162 0.000 1.027 43 V CA -0.751 61.465 62.300 -0.139 0.000 0.855 43 V CB 2.394 34.090 31.823 -0.212 0.000 0.995 43 V HN -0.083 nan 8.190 nan 0.000 0.424 44 Q N 4.594 124.310 119.800 -0.139 0.000 2.341 44 Q HA 0.441 4.780 4.340 -0.001 0.000 0.268 44 Q C 0.379 176.282 176.000 -0.162 0.000 1.013 44 Q CA -0.680 55.034 55.803 -0.149 0.000 0.798 44 Q CB 1.897 30.569 28.738 -0.110 0.000 1.253 44 Q HN 0.676 nan 8.270 nan 0.000 0.457 45 M N 3.055 122.511 119.600 -0.240 0.000 2.213 45 M HA -0.148 4.332 4.480 -0.001 0.000 0.263 45 M C 1.587 177.785 176.300 -0.169 0.000 1.062 45 M CA 0.908 56.054 55.300 -0.257 0.000 1.105 45 M CB -0.751 31.561 32.600 -0.481 0.000 1.385 45 M HN 0.562 nan 8.290 nan 0.000 0.417 46 L N 0.714 121.830 121.223 -0.178 0.000 2.056 46 L HA -0.131 4.208 4.340 -0.001 0.000 0.207 46 L C 2.483 179.347 176.870 -0.010 0.000 1.078 46 L CA 1.802 56.569 54.840 -0.121 0.000 0.749 46 L CB -0.638 41.328 42.059 -0.156 0.000 0.901 46 L HN 0.262 nan 8.230 nan 0.000 0.433 47 E N -0.428 119.752 120.200 -0.033 0.000 2.072 47 E HA -0.225 4.124 4.350 -0.001 0.000 0.191 47 E C 2.193 178.806 176.600 0.022 0.000 0.985 47 E CA 1.354 57.748 56.400 -0.010 0.000 0.801 47 E CB -0.263 29.416 29.700 -0.035 0.000 0.750 47 E HN 0.432 nan 8.360 nan 0.000 0.452 48 L N 0.479 121.715 121.223 0.021 0.000 2.017 48 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 48 L C 2.281 179.218 176.870 0.112 0.000 1.073 48 L CA 1.690 56.550 54.840 0.032 0.000 0.745 48 L CB -1.022 41.044 42.059 0.012 0.000 0.894 48 L HN 0.127 nan 8.230 nan 0.000 0.432 49 Y N -0.015 120.286 120.300 0.001 0.000 2.165 49 Y HA -0.273 4.276 4.550 -0.001 0.000 0.286 49 Y C 2.582 178.577 175.900 0.159 0.000 1.155 49 Y CA 1.843 60.034 58.100 0.152 0.000 1.164 49 Y CB -0.660 37.892 38.460 0.152 0.000 0.978 49 Y HN 0.358 nan 8.280 nan 0.000 0.513 50 D N -0.531 119.986 120.400 0.195 0.000 2.144 50 D HA -0.129 4.510 4.640 -0.001 0.000 0.199 50 D C 2.066 178.408 176.300 0.070 0.000 0.984 50 D CA 1.263 55.329 54.000 0.110 0.000 0.834 50 D CB 0.032 40.870 40.800 0.063 0.000 0.955 50 D HN 0.247 nan 8.370 nan 0.000 0.465 51 R N -1.098 119.424 120.500 0.038 0.000 2.127 51 R HA 0.185 4.524 4.340 -0.001 0.000 0.217 51 R C 0.840 177.117 176.300 -0.039 0.000 1.074 51 R CA 0.106 56.202 56.100 -0.006 0.000 0.991 51 R CB 0.062 30.344 30.300 -0.030 0.000 0.895 51 R HN 0.205 nan 8.270 nan 0.000 0.450 52 M N 0.578 120.122 119.600 -0.094 0.000 2.248 52 M HA -0.033 4.447 4.480 -0.001 0.000 0.337 52 M C 1.282 177.521 176.300 -0.102 0.000 1.121 52 M CA 0.230 55.375 55.300 -0.258 0.000 1.155 52 M CB 1.427 33.581 32.600 -0.742 0.000 1.514 52 M HN 0.068 nan 8.290 nan 0.000 0.452 53 S N 1.160 116.791 115.700 -0.115 0.000 2.503 53 S HA 0.103 4.572 4.470 -0.001 0.000 0.217 53 S C 0.603 175.310 174.600 0.178 0.000 0.999 53 S CA -0.257 57.971 58.200 0.048 0.000 0.914 53 S CB -0.204 63.000 63.200 0.007 0.000 0.782 53 S HN 0.767 nan 8.310 nan 0.000 0.520 54 F N 0.858 120.739 119.950 -0.115 0.000 3.093 54 F HA -0.150 4.377 4.527 -0.001 0.000 0.287 54 F C 0.190 176.005 175.800 0.025 0.000 0.882 54 F CA 0.336 58.278 58.000 -0.097 0.000 1.063 54 F CB -1.874 37.046 39.000 -0.134 0.000 1.097 54 F HN 0.102 nan 8.300 nan 0.000 0.604 55 K N 1.103 121.584 120.400 0.136 0.000 2.350 55 K HA 0.159 4.478 4.320 -0.001 0.000 0.279 55 K C 0.283 176.992 176.600 0.183 0.000 1.027 55 K CA -0.110 56.258 56.287 0.136 0.000 0.969 55 K CB 0.600 33.140 32.500 0.067 0.000 0.954 55 K HN 0.089 nan 8.250 nan 0.000 0.474 56 D N 3.504 124.021 120.400 0.195 0.000 2.557 56 D HA 0.175 4.814 4.640 -0.001 0.000 0.236 56 D C -0.272 176.070 176.300 0.070 0.000 1.154 56 D CA -0.517 53.601 54.000 0.197 0.000 0.985 56 D CB -0.569 40.356 40.800 0.208 0.000 1.010 56 D HN 0.484 nan 8.370 nan 0.000 0.516 57 I N -1.550 119.048 120.570 0.048 0.000 2.577 57 I HA 0.504 4.674 4.170 -0.001 0.000 0.305 57 I C 0.094 176.199 176.117 -0.020 0.000 0.986 57 I CA -0.956 60.351 61.300 0.011 0.000 1.189 57 I CB 1.425 39.433 38.000 0.012 0.000 1.355 57 I HN -0.148 nan 8.210 nan 0.000 0.476 58 D N 3.941 124.328 120.400 -0.021 0.000 2.346 58 D HA 0.167 4.807 4.640 -0.001 0.000 0.260 58 D C 0.991 177.278 176.300 -0.023 0.000 1.252 58 D CA 0.100 54.082 54.000 -0.029 0.000 0.895 58 D CB 1.421 42.212 40.800 -0.016 0.000 1.097 58 D HN 0.829 nan 8.370 nan 0.000 0.489 59 G N 2.456 111.227 108.800 -0.049 0.000 2.985 59 G HA2 0.413 4.372 3.960 -0.001 0.000 0.209 59 G HA3 0.413 4.372 3.960 -0.001 0.000 0.209 59 G C 0.908 175.811 174.900 0.005 0.000 1.165 59 G CA 0.379 45.453 45.100 -0.043 0.000 0.776 59 G HN 0.914 nan 8.290 nan 0.000 0.541 60 G N -0.569 108.238 108.800 0.012 0.000 2.475 60 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.223 60 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.223 60 G C 1.216 176.138 174.900 0.038 0.000 1.201 60 G CA 0.771 45.890 45.100 0.031 0.000 0.962 60 G HN 1.105 nan 8.290 nan 0.000 0.586 61 V N -3.585 116.349 119.914 0.035 0.000 2.407 61 V HA 0.087 4.207 4.120 -0.001 0.000 0.248 61 V C 1.462 177.583 176.094 0.046 0.000 1.055 61 V CA 2.414 64.717 62.300 0.004 0.000 1.049 61 V CB -0.566 31.224 31.823 -0.054 0.000 0.662 61 V HN 1.415 nan 8.190 nan 0.000 0.455 62 W N 2.654 123.861 121.300 -0.155 0.000 2.365 62 W HA 0.431 5.090 4.660 -0.002 0.000 0.371 62 W C 1.131 177.610 176.519 -0.067 0.000 1.006 62 W CA -1.771 55.475 57.345 -0.166 0.000 1.528 62 W CB 0.236 29.566 29.460 -0.217 0.000 1.497 62 W HN 0.055 nan 8.180 nan 0.000 0.367 63 K N 2.697 123.193 120.400 0.160 0.000 2.147 63 K HA -0.176 4.144 4.320 -0.001 0.000 0.205 63 K C 0.839 177.364 176.600 -0.125 0.000 1.049 63 K CA 1.443 57.728 56.287 -0.003 0.000 0.936 63 K CB 0.173 32.664 32.500 -0.016 0.000 0.722 63 K HN 0.567 nan 8.250 nan 0.000 0.446 64 Q N -0.762 118.923 119.800 -0.191 0.000 2.198 64 Q HA 0.153 4.492 4.340 -0.001 0.000 0.209 64 Q C 0.788 176.435 176.000 -0.587 0.000 0.848 64 Q CA -0.339 55.327 55.803 -0.229 0.000 0.974 64 Q CB 1.334 30.071 28.738 -0.002 0.000 1.115 64 Q HN 0.214 nan 8.270 nan 0.000 0.494 65 G N 0.620 108.651 108.800 -1.282 0.000 3.392 65 G HA2 0.525 4.484 3.960 -0.001 0.000 0.185 65 G HA3 0.525 4.484 3.960 -0.001 0.000 0.185 65 G C -1.458 173.118 174.900 -0.540 0.000 1.206 65 G CA -0.348 43.692 45.100 -1.765 0.000 0.776 65 G HN 0.348 nan 8.290 nan 0.000 0.697 66 W N -1.372 119.633 121.300 -0.492 0.000 2.988 66 W HA 0.643 5.302 4.660 -0.001 0.000 0.355 66 W C -1.477 175.132 176.519 0.150 0.000 1.233 66 W CA -1.176 56.115 57.345 -0.090 0.000 1.176 66 W CB 0.698 30.118 29.460 -0.066 0.000 1.477 66 W HN 0.186 nan 8.180 nan 0.000 0.582 67 N N 2.189 121.031 118.700 0.238 0.000 2.402 67 N HA 0.214 4.953 4.740 -0.001 0.000 0.259 67 N C -0.269 175.367 175.510 0.211 0.000 1.167 67 N CA 0.017 53.163 53.050 0.161 0.000 0.949 67 N CB 0.257 38.842 38.487 0.164 0.000 1.212 67 N HN 0.411 nan 8.380 nan 0.000 0.493 68 I N 2.128 122.728 120.570 0.050 0.000 2.556 68 I HA 0.006 4.175 4.170 -0.001 0.000 0.284 68 I C 0.852 177.128 176.117 0.266 0.000 1.114 68 I CA 0.310 61.713 61.300 0.172 0.000 1.418 68 I CB 0.477 38.523 38.000 0.078 0.000 1.394 68 I HN 0.100 nan 8.210 nan 0.000 0.552 69 K N 6.573 127.169 120.400 0.327 0.000 2.259 69 K HA 0.545 4.864 4.320 -0.001 0.000 0.252 69 K C -1.339 175.435 176.600 0.289 0.000 0.936 69 K CA -0.796 55.623 56.287 0.219 0.000 0.810 69 K CB 2.438 35.027 32.500 0.148 0.000 1.143 69 K HN 0.496 nan 8.250 nan 0.000 0.427 70 Y N -1.809 118.584 120.300 0.154 0.000 2.545 70 Y HA 0.375 4.924 4.550 -0.001 0.000 0.348 70 Y C -0.801 175.173 175.900 0.123 0.000 1.002 70 Y CA -1.519 56.673 58.100 0.154 0.000 1.039 70 Y CB 1.173 39.752 38.460 0.198 0.000 1.271 70 Y HN 0.407 nan 8.280 nan 0.000 0.467 71 D N 4.546 125.076 120.400 0.218 0.000 2.336 71 D HA 0.224 4.863 4.640 -0.001 0.000 0.249 71 D C -1.620 174.820 176.300 0.233 0.000 1.213 71 D CA -2.553 51.519 54.000 0.120 0.000 0.870 71 D CB 1.459 42.308 40.800 0.081 0.000 1.076 71 D HN 0.448 nan 8.370 nan 0.000 0.483 72 P HA -0.117 nan 4.420 nan 0.000 0.221 72 P C 1.410 178.861 177.300 0.252 0.000 1.145 72 P CA 0.715 64.000 63.100 0.309 0.000 0.795 72 P CB 0.311 32.118 31.700 0.177 0.000 0.775 73 L N -0.621 120.688 121.223 0.143 0.000 2.599 73 L HA 0.065 4.405 4.340 -0.001 0.000 0.230 73 L C 2.620 179.521 176.870 0.051 0.000 1.141 73 L CA 0.452 55.353 54.840 0.102 0.000 0.877 73 L CB -0.672 41.425 42.059 0.064 0.000 1.009 73 L HN -0.022 nan 8.230 nan 0.000 0.447 74 K N 0.541 120.931 120.400 -0.017 0.000 2.103 74 K HA -0.146 4.173 4.320 -0.001 0.000 0.207 74 K C -0.138 176.276 176.600 -0.311 0.000 1.048 74 K CA 1.163 57.307 56.287 -0.239 0.000 0.930 74 K CB 0.093 32.328 32.500 -0.442 0.000 0.716 74 K HN 0.106 nan 8.250 nan 0.000 0.444 75 Y N 0.630 121.056 120.300 0.210 0.000 2.420 75 Y HA 0.284 4.834 4.550 -0.001 0.000 0.334 75 Y C 0.021 176.012 175.900 0.152 0.000 1.094 75 Y CA -1.142 57.075 58.100 0.195 0.000 1.126 75 Y CB 1.416 39.949 38.460 0.122 0.000 1.217 75 Y HN 0.236 nan 8.280 nan 0.000 0.462 76 N N -0.768 118.107 118.700 0.292 0.000 3.277 76 N HA 0.515 5.254 4.740 -0.001 0.000 0.278 76 N C -0.029 175.542 175.510 0.102 0.000 1.544 76 N CA -0.469 52.688 53.050 0.178 0.000 0.869 76 N CB 0.394 38.981 38.487 0.168 0.000 1.584 76 N HN 0.499 nan 8.380 nan 0.000 0.564 77 A N -0.996 121.811 122.820 -0.022 0.000 2.024 77 A HA -0.139 4.181 4.320 -0.001 0.000 0.220 77 A C 1.077 178.522 177.584 -0.233 0.000 1.164 77 A CA 1.568 53.496 52.037 -0.181 0.000 0.643 77 A CB -1.180 17.622 19.000 -0.331 0.000 0.806 77 A HN 0.740 nan 8.150 nan 0.000 0.451 78 H N -3.664 115.463 119.070 0.096 0.000 2.592 78 H HA 0.186 4.742 4.556 -0.001 0.000 0.265 78 H C -0.008 175.422 175.328 0.171 0.000 0.955 78 H CA 0.712 56.820 56.048 0.101 0.000 1.175 78 H CB 0.286 30.097 29.762 0.081 0.000 1.433 78 H HN 0.631 nan 8.280 nan 0.000 0.537 79 H N 0.546 119.706 119.070 0.149 0.000 2.808 79 H HA 0.316 4.872 4.556 -0.001 0.000 0.268 79 H C -0.983 174.466 175.328 0.202 0.000 1.306 79 H CA -0.711 55.426 56.048 0.148 0.000 1.565 79 H CB 0.041 29.879 29.762 0.127 0.000 1.632 79 H HN 0.004 nan 8.280 nan 0.000 0.525 80 K N 2.248 122.610 120.400 -0.063 0.000 2.087 80 K HA 0.309 4.628 4.320 -0.001 0.000 0.255 80 K C -0.746 175.745 176.600 -0.181 0.000 0.988 80 K CA -1.249 54.999 56.287 -0.065 0.000 0.915 80 K CB 1.729 34.174 32.500 -0.091 0.000 1.043 80 K HN 0.234 nan 8.250 nan 0.000 0.457 81 L N 2.635 123.681 121.223 -0.295 0.000 2.281 81 L HA 0.175 4.515 4.340 -0.001 0.000 0.285 81 L C -0.905 175.764 176.870 -0.334 0.000 1.074 81 L CA 0.009 54.614 54.840 -0.392 0.000 0.817 81 L CB 0.351 41.980 42.059 -0.718 0.000 1.168 81 L HN 0.290 nan 8.230 nan 0.000 0.434 82 K N 5.047 125.263 120.400 -0.307 0.000 2.234 82 K HA 0.474 4.793 4.320 -0.001 0.000 0.277 82 K C -1.101 175.181 176.600 -0.530 0.000 1.038 82 K CA -0.400 55.639 56.287 -0.413 0.000 0.888 82 K CB 1.611 33.915 32.500 -0.327 0.000 1.091 82 K HN 0.397 nan 8.250 nan 0.000 0.467 83 V N 4.602 124.077 119.914 -0.732 0.000 2.448 83 V HA 0.413 4.532 4.120 -0.001 0.000 0.295 83 V C -0.703 174.846 176.094 -0.909 0.000 1.025 83 V CA -0.835 60.983 62.300 -0.805 0.000 0.859 83 V CB 0.788 31.950 31.823 -1.100 0.000 0.988 83 V HN 0.467 nan 8.190 nan 0.000 0.431 84 F N 3.737 123.436 119.950 -0.418 0.000 2.361 84 F HA 0.494 5.021 4.527 -0.001 0.000 0.364 84 F C 0.195 175.807 175.800 -0.312 0.000 1.117 84 F CA -0.685 57.122 58.000 -0.321 0.000 1.071 84 F CB 1.722 40.603 39.000 -0.199 0.000 1.188 84 F HN 0.184 nan 8.300 nan 0.000 0.464 85 V N 5.118 124.979 119.914 -0.089 0.000 2.385 85 V HA 0.287 4.406 4.120 -0.001 0.000 0.269 85 V C -0.185 176.003 176.094 0.157 0.000 1.043 85 V CA -0.613 61.704 62.300 0.029 0.000 0.906 85 V CB 1.245 33.159 31.823 0.152 0.000 0.995 85 V HN 0.421 nan 8.190 nan 0.000 0.467 86 V N 8.415 128.371 119.914 0.069 0.000 2.275 86 V HA 0.310 4.429 4.120 -0.001 0.000 0.272 86 V C -2.354 173.768 176.094 0.047 0.000 1.028 86 V CA -1.923 60.382 62.300 0.007 0.000 0.810 86 V CB 1.369 33.101 31.823 -0.152 0.000 1.043 86 V HN 0.721 nan 8.190 nan 0.000 0.453 87 P HA 0.326 nan 4.420 nan 0.000 0.271 87 P C -0.836 176.448 177.300 -0.028 0.000 1.216 87 P CA 0.267 63.332 63.100 -0.058 0.000 0.771 87 P CB 0.363 31.842 31.700 -0.368 0.000 0.864 88 H N -1.145 117.909 119.070 -0.027 0.000 3.017 88 H HA 0.789 5.344 4.556 -0.001 0.000 0.346 88 H C -1.514 173.911 175.328 0.162 0.000 1.286 88 H CA -1.104 54.832 56.048 -0.186 0.000 1.120 88 H CB 0.964 30.573 29.762 -0.255 0.000 1.860 88 H HN 0.199 nan 8.280 nan 0.000 0.542 89 S N 0.699 116.396 115.700 -0.004 0.000 2.736 89 S HA 0.217 4.686 4.470 -0.001 0.000 0.285 89 S C -1.833 172.691 174.600 -0.128 0.000 1.163 89 S CA -0.670 57.576 58.200 0.077 0.000 1.025 89 S CB 0.223 63.647 63.200 0.372 0.000 1.030 89 S HN 0.841 nan 8.310 nan 0.000 0.486 90 H N 4.404 123.374 119.070 -0.168 0.000 2.800 90 H HA 0.434 4.989 4.556 -0.001 0.000 0.291 90 H C -0.153 174.780 175.328 -0.657 0.000 1.076 90 H CA 0.237 56.102 56.048 -0.305 0.000 1.452 90 H CB 0.257 29.898 29.762 -0.201 0.000 1.461 90 H HN 0.560 nan 8.280 nan 0.000 0.488 91 N N 5.574 123.632 118.700 -1.071 0.000 2.564 91 N HA 0.055 4.795 4.740 -0.001 0.000 0.248 91 N C -1.181 173.889 175.510 -0.735 0.000 0.986 91 N CA -0.606 51.670 53.050 -1.289 0.000 0.921 91 N CB 1.035 39.059 38.487 -0.771 0.000 1.136 91 N HN 0.662 nan 8.380 nan 0.000 0.509 92 D N 2.619 122.623 120.400 -0.661 0.000 2.371 92 D HA 0.084 4.723 4.640 -0.001 0.000 0.256 92 D C -2.025 174.342 176.300 0.111 0.000 1.193 92 D CA -0.811 53.071 54.000 -0.197 0.000 0.881 92 D CB 1.347 42.291 40.800 0.239 0.000 1.143 92 D HN 0.209 nan 8.370 nan 0.000 0.473 93 P HA 0.178 nan 4.420 nan 0.000 0.231 93 P C 0.012 177.512 177.300 0.332 0.000 1.756 93 P CA 0.001 63.110 63.100 0.015 0.000 0.990 93 P CB 0.130 31.710 31.700 -0.200 0.000 1.973 94 G N 0.067 109.238 108.800 0.619 0.000 3.069 94 G HA2 0.025 3.984 3.960 -0.001 0.000 0.686 94 G HA3 0.025 3.984 3.960 -0.001 0.000 0.686 94 G C -1.117 174.311 174.900 0.880 0.000 1.161 94 G CA -0.659 44.828 45.100 0.645 0.000 0.804 94 G HN 0.338 nan 8.290 nan 0.000 0.608 95 W N 2.164 123.792 121.300 0.548 0.000 4.491 95 W HA 0.262 4.922 4.660 -0.001 0.000 0.161 95 W C 1.466 178.153 176.519 0.280 0.000 3.471 95 W CA 1.536 59.172 57.345 0.484 0.000 1.147 95 W CB -0.896 28.936 29.460 0.621 0.000 2.109 95 W HN 0.988 nan 8.180 nan 0.000 0.361 96 I N 0.970 121.516 120.570 -0.040 0.000 3.860 96 I HA 0.331 4.500 4.170 -0.001 0.000 0.319 96 I C 0.329 176.299 176.117 -0.245 0.000 1.279 96 I CA 0.686 61.789 61.300 -0.328 0.000 1.220 96 I CB -0.357 37.305 38.000 -0.563 0.000 1.027 96 I HN -0.158 nan 8.210 nan 0.000 0.428 97 Q N 1.302 120.811 119.800 -0.485 0.000 2.458 97 Q HA 0.459 4.799 4.340 -0.001 0.000 0.282 97 Q C -0.143 175.599 176.000 -0.430 0.000 1.106 97 Q CA -0.269 55.184 55.803 -0.583 0.000 0.814 97 Q CB 2.145 30.212 28.738 -1.120 0.000 1.425 97 Q HN 0.394 nan 8.270 nan 0.000 0.437 98 T N -2.316 112.103 114.554 -0.224 0.000 2.766 98 T HA 0.161 4.510 4.350 -0.001 0.000 0.295 98 T C 1.104 175.906 174.700 0.170 0.000 1.024 98 T CA -0.431 61.627 62.100 -0.070 0.000 1.018 98 T CB 0.250 69.112 68.868 -0.010 0.000 1.002 98 T HN 0.524 nan 8.240 nan 0.000 0.532 99 F N 1.164 121.198 119.950 0.141 0.000 2.063 99 F HA -0.150 4.376 4.527 -0.001 0.000 0.298 99 F C 2.470 178.493 175.800 0.371 0.000 1.109 99 F CA 2.376 60.541 58.000 0.276 0.000 1.212 99 F CB -0.330 38.716 39.000 0.077 0.000 0.973 99 F HN 0.779 nan 8.300 nan 0.000 0.480 100 E N 0.401 120.861 120.200 0.432 0.000 2.106 100 E HA -0.177 4.173 4.350 -0.001 0.000 0.192 100 E C 2.008 178.767 176.600 0.264 0.000 0.984 100 E CA 1.728 58.340 56.400 0.354 0.000 0.806 100 E CB -0.277 29.610 29.700 0.312 0.000 0.750 100 E HN 0.616 nan 8.360 nan 0.000 0.458 101 E N -1.008 119.294 120.200 0.170 0.000 2.051 101 E HA -0.194 4.156 4.350 -0.001 0.000 0.192 101 E C 1.844 178.512 176.600 0.114 0.000 0.991 101 E CA 1.178 57.630 56.400 0.086 0.000 0.799 101 E CB -0.254 29.427 29.700 -0.031 0.000 0.748 101 E HN 0.338 nan 8.360 nan 0.000 0.449 102 Y N -0.501 119.861 120.300 0.103 0.000 2.224 102 Y HA -0.249 4.300 4.550 -0.001 0.000 0.289 102 Y C 2.196 178.115 175.900 0.032 0.000 1.146 102 Y CA 1.146 59.258 58.100 0.022 0.000 1.182 102 Y CB -0.747 37.778 38.460 0.108 0.000 0.983 102 Y HN 0.190 nan 8.280 nan 0.000 0.524 103 Y N 0.874 121.264 120.300 0.150 0.000 2.128 103 Y HA -0.280 4.269 4.550 -0.001 0.000 0.284 103 Y C 2.274 178.199 175.900 0.042 0.000 1.154 103 Y CA 1.892 60.011 58.100 0.032 0.000 1.149 103 Y CB -0.329 38.141 38.460 0.016 0.000 0.976 103 Y HN 0.057 nan 8.280 nan 0.000 0.505 104 Q N -1.095 118.726 119.800 0.036 0.000 2.123 104 Q HA -0.197 4.142 4.340 -0.001 0.000 0.199 104 Q C 2.229 178.239 176.000 0.016 0.000 0.966 104 Q CA 1.713 57.496 55.803 -0.035 0.000 0.845 104 Q CB -0.598 28.214 28.738 0.124 0.000 0.907 104 Q HN 0.660 nan 8.270 nan 0.000 0.439 105 H N -0.306 118.782 119.070 0.030 0.000 2.497 105 H HA 0.026 4.582 4.556 -0.001 0.000 0.282 105 H C 0.436 175.866 175.328 0.169 0.000 1.003 105 H CA 0.880 56.986 56.048 0.097 0.000 1.307 105 H CB 0.946 30.733 29.762 0.041 0.000 1.437 105 H HN 0.200 nan 8.280 nan 0.000 0.544 106 D N -1.358 119.137 120.400 0.159 0.000 3.165 106 D HA 0.013 4.652 4.640 -0.001 0.000 0.264 106 D C 1.689 178.037 176.300 0.080 0.000 1.363 106 D CA 0.386 54.477 54.000 0.153 0.000 1.166 106 D CB 0.166 41.020 40.800 0.090 0.000 1.291 106 D HN 0.132 nan 8.370 nan 0.000 0.390 107 T N 2.506 117.039 114.554 -0.036 0.000 2.821 107 T HA -0.137 4.212 4.350 -0.001 0.000 0.267 107 T C 1.942 176.465 174.700 -0.294 0.000 1.046 107 T CA 1.402 63.435 62.100 -0.111 0.000 1.139 107 T CB -0.066 68.582 68.868 -0.368 0.000 0.871 107 T HN 0.246 nan 8.240 nan 0.000 0.454 108 K N 0.813 120.849 120.400 -0.606 0.000 2.147 108 K HA -0.160 4.159 4.320 -0.001 0.000 0.205 108 K C 1.934 178.266 176.600 -0.447 0.000 1.049 108 K CA 1.439 57.341 56.287 -0.642 0.000 0.936 108 K CB -0.392 31.520 32.500 -0.980 0.000 0.722 108 K HN 0.392 nan 8.250 nan 0.000 0.446 109 H N 1.067 120.046 119.070 -0.153 0.000 2.363 109 H HA 0.047 4.603 4.556 -0.001 0.000 0.301 109 H C 2.313 177.635 175.328 -0.009 0.000 1.074 109 H CA 1.417 57.431 56.048 -0.056 0.000 1.354 109 H CB -0.195 29.542 29.762 -0.041 0.000 1.397 109 H HN 0.191 nan 8.280 nan 0.000 0.516 110 I N 0.764 121.410 120.570 0.126 0.000 2.163 110 I HA -0.282 3.887 4.170 -0.001 0.000 0.243 110 I C 2.463 178.599 176.117 0.032 0.000 1.085 110 I CA 1.168 62.596 61.300 0.214 0.000 1.347 110 I CB -0.303 37.892 38.000 0.324 0.000 1.044 110 I HN 0.091 nan 8.210 nan 0.000 0.408 111 L N -0.428 120.593 121.223 -0.337 0.000 2.093 111 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 111 L C 2.736 179.264 176.870 -0.570 0.000 1.085 111 L CA 1.261 55.660 54.840 -0.734 0.000 0.755 111 L CB -0.542 40.511 42.059 -1.676 0.000 0.904 111 L HN 0.239 nan 8.230 nan 0.000 0.435 112 S N 0.147 115.629 115.700 -0.362 0.000 2.368 112 S HA -0.151 4.318 4.470 -0.001 0.000 0.225 112 S C 1.809 176.385 174.600 -0.039 0.000 1.030 112 S CA 1.520 59.744 58.200 0.041 0.000 0.999 112 S CB -0.163 63.130 63.200 0.155 0.000 0.844 112 S HN 0.439 nan 8.310 nan 0.000 0.459 113 N N 1.536 120.209 118.700 -0.044 0.000 2.354 113 N HA 0.137 4.876 4.740 -0.001 0.000 0.179 113 N C 1.804 177.008 175.510 -0.510 0.000 1.021 113 N CA 1.064 54.047 53.050 -0.112 0.000 0.887 113 N CB -0.757 37.773 38.487 0.073 0.000 0.974 113 N HN 0.491 nan 8.380 nan 0.000 0.437 114 A N 1.142 123.689 122.820 -0.455 0.000 1.902 114 A HA -0.100 4.219 4.320 -0.001 0.000 0.217 114 A C 2.183 179.482 177.584 -0.475 0.000 1.181 114 A CA 0.966 52.558 52.037 -0.742 0.000 0.623 114 A CB -0.686 18.152 19.000 -0.270 0.000 0.818 114 A HN 0.230 nan 8.150 nan 0.000 0.443 115 L N 0.138 121.227 121.223 -0.224 0.000 2.017 115 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 115 L C 2.462 179.251 176.870 -0.136 0.000 1.073 115 L CA 2.581 57.365 54.840 -0.093 0.000 0.745 115 L CB -0.686 41.390 42.059 0.028 0.000 0.894 115 L HN 0.511 nan 8.230 nan 0.000 0.432 116 R N -1.701 118.680 120.500 -0.199 0.000 2.070 116 R HA -0.178 4.161 4.340 -0.001 0.000 0.233 116 R C 2.367 178.477 176.300 -0.317 0.000 1.137 116 R CA 1.703 57.665 56.100 -0.230 0.000 0.945 116 R CB -0.542 29.600 30.300 -0.264 0.000 0.845 116 R HN 0.558 nan 8.270 nan 0.000 0.430 117 H N 0.360 119.138 119.070 -0.485 0.000 2.395 117 H HA -0.052 4.503 4.556 -0.001 0.000 0.299 117 H C 2.251 177.360 175.328 -0.365 0.000 1.070 117 H CA 1.575 57.321 56.048 -0.503 0.000 1.356 117 H CB 0.090 29.303 29.762 -0.915 0.000 1.401 117 H HN 0.246 nan 8.280 nan 0.000 0.524 118 L N -0.153 120.896 121.223 -0.291 0.000 2.056 118 L HA -0.172 4.167 4.340 -0.001 0.000 0.207 118 L C 2.754 179.589 176.870 -0.059 0.000 1.078 118 L CA 0.994 55.746 54.840 -0.147 0.000 0.749 118 L CB -0.632 41.355 42.059 -0.121 0.000 0.901 118 L HN 0.390 nan 8.230 nan 0.000 0.433 119 H N 0.616 119.610 119.070 -0.128 0.000 2.319 119 H HA -0.212 4.343 4.556 -0.001 0.000 0.297 119 H C 1.295 176.575 175.328 -0.080 0.000 1.097 119 H CA 2.135 58.132 56.048 -0.084 0.000 1.285 119 H CB 0.214 29.924 29.762 -0.086 0.000 1.368 119 H HN 0.321 nan 8.280 nan 0.000 0.495 120 D N 0.328 120.657 120.400 -0.118 0.000 2.347 120 D HA -0.008 4.631 4.640 -0.001 0.000 0.215 120 D C -0.011 176.225 176.300 -0.107 0.000 0.976 120 D CA 0.533 54.444 54.000 -0.147 0.000 0.884 120 D CB -0.004 40.730 40.800 -0.111 0.000 0.915 120 D HN 0.326 nan 8.370 nan 0.000 0.526 121 N N 0.564 119.218 118.700 -0.076 0.000 2.716 121 N HA 0.139 4.879 4.740 -0.001 0.000 0.253 121 N C -2.196 173.311 175.510 -0.005 0.000 1.170 121 N CA -1.042 52.001 53.050 -0.011 0.000 0.807 121 N CB 2.347 40.858 38.487 0.041 0.000 1.183 121 N HN -0.125 nan 8.380 nan 0.000 0.524 122 P HA -0.099 nan 4.420 nan 0.000 0.221 122 P C 0.936 178.262 177.300 0.043 0.000 1.145 122 P CA 1.208 64.305 63.100 -0.006 0.000 0.795 122 P CB 0.543 32.233 31.700 -0.016 0.000 0.775 123 E N -1.647 118.608 120.200 0.092 0.000 2.442 123 E HA 0.049 4.399 4.350 -0.001 0.000 0.195 123 E C 0.823 177.558 176.600 0.226 0.000 1.030 123 E CA 0.084 56.582 56.400 0.163 0.000 0.869 123 E CB -0.359 29.466 29.700 0.209 0.000 0.857 123 E HN 0.258 nan 8.360 nan 0.000 0.505 124 M N 1.567 121.235 119.600 0.114 0.000 2.243 124 M HA 0.097 4.576 4.480 -0.001 0.000 0.341 124 M C -0.333 175.944 176.300 -0.038 0.000 1.130 124 M CA 0.218 55.478 55.300 -0.066 0.000 1.162 124 M CB 0.477 33.013 32.600 -0.106 0.000 1.497 124 M HN -0.363 nan 8.290 nan 0.000 0.456 125 K N 3.152 123.490 120.400 -0.103 0.000 2.444 125 K HA 0.648 4.967 4.320 -0.001 0.000 0.252 125 K C -1.744 174.885 176.600 0.048 0.000 0.993 125 K CA -0.471 55.816 56.287 0.001 0.000 0.847 125 K CB 2.168 34.696 32.500 0.046 0.000 1.340 125 K HN 0.670 nan 8.250 nan 0.000 0.446 126 F N 1.489 121.350 119.950 -0.149 0.000 2.654 126 F HA 0.445 4.972 4.527 -0.001 0.000 0.314 126 F C -1.390 174.300 175.800 -0.183 0.000 1.116 126 F CA -1.257 56.643 58.000 -0.167 0.000 1.017 126 F CB 1.021 40.002 39.000 -0.032 0.000 1.285 126 F HN 0.458 nan 8.300 nan 0.000 0.448 127 I N 1.812 122.047 120.570 -0.559 0.000 2.648 127 I HA 0.609 4.778 4.170 -0.001 0.000 0.304 127 I C -1.693 173.995 176.117 -0.714 0.000 1.009 127 I CA -0.615 60.319 61.300 -0.609 0.000 1.114 127 I CB 2.501 40.080 38.000 -0.701 0.000 1.293 127 I HN 0.691 nan 8.210 nan 0.000 0.449 128 W N 4.296 125.206 121.300 -0.650 0.000 2.957 128 W HA 0.627 5.286 4.660 -0.001 0.000 0.336 128 W C -0.711 175.730 176.519 -0.131 0.000 1.087 128 W CA -0.536 56.560 57.345 -0.415 0.000 1.235 128 W CB 2.678 31.943 29.460 -0.324 0.000 1.399 128 W HN 0.792 nan 8.180 nan 0.000 0.480 129 A N 3.442 125.891 122.820 -0.618 0.000 1.963 129 A HA 0.152 4.471 4.320 -0.001 0.000 0.207 129 A C -0.008 177.536 177.584 -0.066 0.000 1.243 129 A CA 0.559 52.475 52.037 -0.201 0.000 0.728 129 A CB -0.001 18.937 19.000 -0.103 0.000 0.895 129 A HN 0.502 nan 8.150 nan 0.000 0.467 130 E N 0.952 121.009 120.200 -0.237 0.000 2.014 130 E HA 0.320 4.669 4.350 -0.001 0.000 0.275 130 E C 0.397 177.171 176.600 0.291 0.000 0.997 130 E CA -0.288 56.141 56.400 0.048 0.000 0.804 130 E CB 0.810 30.534 29.700 0.041 0.000 1.090 130 E HN 0.270 nan 8.360 nan 0.000 0.401 131 I N 1.506 122.138 120.570 0.105 0.000 2.676 131 I HA -0.189 3.981 4.170 -0.001 0.000 0.259 131 I C 1.944 177.716 176.117 -0.574 0.000 1.194 131 I CA 0.892 62.176 61.300 -0.026 0.000 1.473 131 I CB -1.346 36.687 38.000 0.056 0.000 1.096 131 I HN 0.411 nan 8.210 nan 0.000 0.443 132 S N 1.105 116.173 115.700 -1.054 0.000 2.365 132 S HA -0.261 4.208 4.470 -0.001 0.000 0.225 132 S C 2.134 176.444 174.600 -0.484 0.000 1.039 132 S CA 1.283 58.476 58.200 -1.679 0.000 1.033 132 S CB -1.004 61.266 63.200 -1.552 0.000 0.887 132 S HN 0.362 nan 8.310 nan 0.000 0.447 133 Y N 0.555 120.877 120.300 0.036 0.000 2.263 133 Y HA 0.150 4.700 4.550 -0.001 0.000 0.292 133 Y C 2.199 178.161 175.900 0.103 0.000 1.130 133 Y CA 0.344 58.562 58.100 0.198 0.000 1.179 133 Y CB -0.863 37.812 38.460 0.358 0.000 0.998 133 Y HN 0.346 nan 8.280 nan 0.000 0.532 134 F N -0.043 119.979 119.950 0.119 0.000 2.146 134 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 134 F C 2.329 177.959 175.800 -0.284 0.000 1.096 134 F CA 1.183 59.133 58.000 -0.083 0.000 1.275 134 F CB -0.423 38.519 39.000 -0.096 0.000 1.008 134 F HN -0.027 nan 8.300 nan 0.000 0.480 135 A N 0.263 122.736 122.820 -0.579 0.000 1.902 135 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 135 A C 2.151 179.618 177.584 -0.194 0.000 1.181 135 A CA 1.744 53.252 52.037 -0.880 0.000 0.623 135 A CB -0.755 17.572 19.000 -1.121 0.000 0.818 135 A HN 0.397 nan 8.150 nan 0.000 0.443 136 R N -1.044 119.390 120.500 -0.111 0.000 2.091 136 R HA -0.149 4.191 4.340 -0.001 0.000 0.238 136 R C 1.761 178.027 176.300 -0.057 0.000 1.136 136 R CA 2.090 58.143 56.100 -0.078 0.000 0.959 136 R CB -0.801 29.391 30.300 -0.180 0.000 0.856 136 R HN 0.492 nan 8.270 nan 0.000 0.437 137 F N -0.349 119.524 119.950 -0.129 0.000 2.128 137 F HA -0.099 4.427 4.527 -0.001 0.000 0.295 137 F C 1.936 177.655 175.800 -0.134 0.000 1.100 137 F CA 1.500 59.480 58.000 -0.034 0.000 1.260 137 F CB -0.787 38.124 39.000 -0.149 0.000 1.009 137 F HN 0.116 nan 8.300 nan 0.000 0.476 138 Y N 0.308 120.374 120.300 -0.389 0.000 2.165 138 Y HA -0.272 4.277 4.550 -0.001 0.000 0.286 138 Y C 2.681 178.385 175.900 -0.327 0.000 1.155 138 Y CA 2.301 60.159 58.100 -0.403 0.000 1.164 138 Y CB -0.739 37.624 38.460 -0.162 0.000 0.978 138 Y HN 0.136 nan 8.280 nan 0.000 0.513 139 H N -0.809 118.250 119.070 -0.018 0.000 2.524 139 H HA -0.066 4.489 4.556 -0.001 0.000 0.282 139 H C 1.036 176.261 175.328 -0.171 0.000 1.016 139 H CA 1.421 57.426 56.048 -0.071 0.000 1.270 139 H CB -0.063 29.718 29.762 0.031 0.000 1.394 139 H HN 0.444 nan 8.280 nan 0.000 0.568 140 D N 0.040 120.359 120.400 -0.135 0.000 2.349 140 D HA 0.068 4.707 4.640 -0.001 0.000 0.215 140 D C 0.607 176.735 176.300 -0.288 0.000 1.016 140 D CA 0.060 53.963 54.000 -0.163 0.000 0.870 140 D CB 0.312 41.053 40.800 -0.098 0.000 0.917 140 D HN 0.193 nan 8.370 nan 0.000 0.524 141 L N 0.546 121.496 121.223 -0.454 0.000 2.417 141 L HA 0.313 4.652 4.340 -0.001 0.000 0.268 141 L C 1.385 178.069 176.870 -0.309 0.000 1.158 141 L CA -0.591 53.973 54.840 -0.460 0.000 0.819 141 L CB 0.864 42.561 42.059 -0.604 0.000 1.112 141 L HN -0.027 nan 8.230 nan 0.000 0.458 142 G N 0.708 109.373 108.800 -0.226 0.000 2.594 142 G HA2 0.029 3.988 3.960 -0.001 0.000 0.243 142 G HA3 0.029 3.988 3.960 -0.001 0.000 0.243 142 G C 0.660 175.461 174.900 -0.164 0.000 1.229 142 G CA -0.295 44.711 45.100 -0.158 0.000 0.843 142 G HN 0.792 nan 8.290 nan 0.000 0.578 143 E N 0.680 120.813 120.200 -0.112 0.000 2.130 143 E HA -0.222 4.127 4.350 -0.001 0.000 0.196 143 E C 2.467 179.025 176.600 -0.070 0.000 0.998 143 E CA 1.954 58.303 56.400 -0.085 0.000 0.806 143 E CB -0.079 29.597 29.700 -0.040 0.000 0.738 143 E HN 0.643 nan 8.360 nan 0.000 0.459 144 N N 0.480 119.139 118.700 -0.068 0.000 2.069 144 N HA -0.208 4.532 4.740 -0.001 0.000 0.191 144 N C 1.397 176.865 175.510 -0.070 0.000 1.031 144 N CA 1.342 54.357 53.050 -0.058 0.000 0.852 144 N CB -0.373 38.077 38.487 -0.061 0.000 1.018 144 N HN 0.054 nan 8.380 nan 0.000 0.423 145 K N 1.025 121.365 120.400 -0.101 0.000 2.097 145 K HA 0.036 4.355 4.320 -0.001 0.000 0.205 145 K C 2.053 178.608 176.600 -0.075 0.000 1.050 145 K CA 0.671 56.897 56.287 -0.102 0.000 0.938 145 K CB -0.197 32.220 32.500 -0.139 0.000 0.718 145 K HN 0.396 nan 8.250 nan 0.000 0.442 146 K N 0.837 121.149 120.400 -0.147 0.000 2.032 146 K HA -0.091 4.228 4.320 -0.001 0.000 0.209 146 K C 2.281 178.957 176.600 0.127 0.000 1.048 146 K CA 1.149 57.370 56.287 -0.110 0.000 0.927 146 K CB -0.223 32.107 32.500 -0.283 0.000 0.712 146 K HN 0.048 nan 8.250 nan 0.000 0.441 147 L N 0.998 122.259 121.223 0.064 0.000 2.046 147 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 147 L C 2.602 179.528 176.870 0.093 0.000 1.077 147 L CA 1.298 56.191 54.840 0.088 0.000 0.747 147 L CB -0.402 41.684 42.059 0.046 0.000 0.896 147 L HN 0.265 nan 8.230 nan 0.000 0.432 148 Q N -0.839 118.992 119.800 0.051 0.000 2.084 148 Q HA -0.273 4.066 4.340 -0.001 0.000 0.202 148 Q C 2.221 178.294 176.000 0.121 0.000 0.978 148 Q CA 1.796 57.626 55.803 0.044 0.000 0.844 148 Q CB -0.204 28.493 28.738 -0.068 0.000 0.898 148 Q HN 0.365 nan 8.270 nan 0.000 0.426 149 M N 1.199 120.905 119.600 0.176 0.000 2.086 149 M HA -0.164 4.315 4.480 -0.001 0.000 0.261 149 M C 1.640 178.123 176.300 0.304 0.000 1.067 149 M CA 1.765 57.241 55.300 0.294 0.000 1.116 149 M CB 0.000 32.871 32.600 0.451 0.000 1.348 149 M HN -0.088 nan 8.290 nan 0.000 0.407 150 K N -0.346 120.232 120.400 0.297 0.000 2.103 150 K HA -0.157 4.162 4.320 -0.001 0.000 0.207 150 K C 2.083 178.780 176.600 0.162 0.000 1.048 150 K CA 1.789 58.215 56.287 0.233 0.000 0.930 150 K CB -0.463 32.160 32.500 0.204 0.000 0.716 150 K HN 0.623 nan 8.250 nan 0.000 0.444 151 S N 1.449 117.235 115.700 0.143 0.000 2.406 151 S HA -0.095 4.374 4.470 -0.001 0.000 0.228 151 S C 2.089 176.750 174.600 0.101 0.000 1.020 151 S CA 0.884 59.150 58.200 0.110 0.000 0.965 151 S CB -0.618 62.646 63.200 0.107 0.000 0.798 151 S HN 0.453 nan 8.310 nan 0.000 0.488 152 I N -0.535 120.105 120.570 0.117 0.000 2.761 152 I HA 0.091 4.261 4.170 -0.001 0.000 0.261 152 I C 1.948 178.102 176.117 0.062 0.000 1.198 152 I CA 0.501 61.852 61.300 0.086 0.000 1.482 152 I CB -0.372 37.679 38.000 0.084 0.000 1.100 152 I HN 0.128 nan 8.210 nan 0.000 0.445 153 V N 1.558 121.528 119.914 0.093 0.000 2.346 153 V HA -0.179 3.941 4.120 -0.001 0.000 0.244 153 V C 2.695 178.828 176.094 0.065 0.000 1.037 153 V CA 2.004 64.349 62.300 0.075 0.000 1.029 153 V CB -0.700 31.230 31.823 0.179 0.000 0.663 153 V HN 0.425 nan 8.190 nan 0.000 0.454 154 K N 0.493 120.939 120.400 0.075 0.000 2.103 154 K HA -0.163 4.156 4.320 -0.001 0.000 0.207 154 K C 1.531 178.152 176.600 0.034 0.000 1.048 154 K CA 1.616 57.935 56.287 0.053 0.000 0.930 154 K CB -0.096 32.437 32.500 0.054 0.000 0.716 154 K HN 0.448 nan 8.250 nan 0.000 0.444 155 N N -0.443 118.278 118.700 0.035 0.000 2.322 155 N HA 0.033 4.772 4.740 -0.001 0.000 0.194 155 N C 0.553 176.070 175.510 0.012 0.000 1.126 155 N CA 0.932 53.996 53.050 0.023 0.000 0.845 155 N CB 1.191 39.693 38.487 0.026 0.000 0.976 155 N HN 0.451 nan 8.380 nan 0.000 0.475 156 G N 1.194 109.997 108.800 0.006 0.000 2.159 156 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.256 156 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.256 156 G C 0.883 175.772 174.900 -0.019 0.000 0.977 156 G CA 0.276 45.369 45.100 -0.013 0.000 0.652 156 G HN 0.371 nan 8.290 nan 0.000 0.531 157 Q N -1.354 118.443 119.800 -0.006 0.000 2.096 157 Q HA 0.218 4.557 4.340 -0.001 0.000 0.197 157 Q C 1.152 177.144 176.000 -0.014 0.000 0.964 157 Q CA 0.963 56.766 55.803 -0.000 0.000 0.838 157 Q CB 0.191 28.935 28.738 0.010 0.000 0.906 157 Q HN 0.553 nan 8.270 nan 0.000 0.444 158 L N 1.379 122.577 121.223 -0.043 0.000 2.272 158 L HA 0.278 4.617 4.340 -0.001 0.000 0.289 158 L C -0.897 175.799 176.870 -0.290 0.000 1.032 158 L CA -0.009 54.758 54.840 -0.123 0.000 0.810 158 L CB 1.362 43.357 42.059 -0.108 0.000 1.205 158 L HN -0.060 nan 8.230 nan 0.000 0.422 159 E N 4.202 124.193 120.200 -0.348 0.000 2.210 159 E HA 0.366 4.715 4.350 -0.001 0.000 0.266 159 E C -1.470 174.859 176.600 -0.452 0.000 0.883 159 E CA -0.738 55.461 56.400 -0.335 0.000 0.761 159 E CB 1.003 30.585 29.700 -0.196 0.000 1.156 159 E HN 0.484 nan 8.360 nan 0.000 0.412 160 F N 3.165 123.068 119.950 -0.080 0.000 2.396 160 F HA 0.236 4.762 4.527 -0.001 0.000 0.343 160 F C 0.250 176.017 175.800 -0.054 0.000 1.104 160 F CA -0.546 57.419 58.000 -0.059 0.000 1.161 160 F CB 1.288 40.264 39.000 -0.039 0.000 1.146 160 F HN 0.181 nan 8.300 nan 0.000 0.522 161 V N -0.008 119.968 119.914 0.103 0.000 2.495 161 V HA 0.652 4.771 4.120 -0.001 0.000 0.298 161 V C 0.242 176.465 176.094 0.215 0.000 1.031 161 V CA -0.524 61.832 62.300 0.093 0.000 0.871 161 V CB 0.902 32.667 31.823 -0.097 0.000 0.988 161 V HN 0.979 nan 8.190 nan 0.000 0.432 162 T N 3.204 117.959 114.554 0.336 0.000 12.940 162 T HA -0.306 4.043 4.350 -0.001 0.000 0.419 162 T C 1.739 176.673 174.700 0.390 0.000 1.444 162 T CA 2.882 65.234 62.100 0.419 0.000 2.373 162 T CB -1.687 67.329 68.868 0.246 0.000 2.821 162 T HN 2.786 nan 8.240 nan 0.000 0.696 163 G N 1.838 110.803 108.800 0.276 0.000 2.136 163 G HA2 0.110 4.069 3.960 -0.001 0.000 0.242 163 G HA3 0.110 4.069 3.960 -0.001 0.000 0.242 163 G C 0.324 175.368 174.900 0.241 0.000 0.989 163 G CA 0.587 45.824 45.100 0.229 0.000 0.682 163 G HN 1.559 nan 8.290 nan 0.000 0.522 164 G N -1.619 107.323 108.800 0.237 0.000 2.599 164 G HA2 0.359 4.318 3.960 -0.001 0.000 0.264 164 G HA3 0.359 4.318 3.960 -0.001 0.000 0.264 164 G C 0.981 176.065 174.900 0.307 0.000 1.200 164 G CA 0.183 45.435 45.100 0.254 0.000 0.896 164 G HN 0.345 nan 8.290 nan 0.000 0.536 165 W N 0.222 121.572 121.300 0.084 0.000 2.342 165 W HA -0.020 4.639 4.660 -0.001 0.000 0.297 165 W C 0.678 177.236 176.519 0.065 0.000 1.213 165 W CA 1.850 59.231 57.345 0.060 0.000 1.251 165 W CB 0.243 29.722 29.460 0.032 0.000 1.136 165 W HN 0.399 nan 8.180 nan 0.000 0.526 166 V N -2.650 117.393 119.914 0.215 0.000 3.156 166 V HA 0.496 4.615 4.120 -0.001 0.000 0.310 166 V C -0.456 175.732 176.094 0.156 0.000 1.234 166 V CA -1.294 61.078 62.300 0.121 0.000 1.065 166 V CB 1.740 33.655 31.823 0.154 0.000 1.088 166 V HN -0.054 nan 8.190 nan 0.000 0.451 167 M N 3.988 123.707 119.600 0.200 0.000 2.152 167 M HA 0.513 4.993 4.480 -0.001 0.000 0.354 167 M C -2.689 173.771 176.300 0.267 0.000 1.173 167 M CA -1.873 53.559 55.300 0.220 0.000 1.110 167 M CB 1.385 34.137 32.600 0.254 0.000 1.366 167 M HN 0.637 nan 8.290 nan 0.000 0.415 168 P HA 0.132 nan 4.420 nan 0.000 0.277 168 P C -0.961 176.348 177.300 0.014 0.000 1.240 168 P CA -0.198 62.954 63.100 0.086 0.000 0.798 168 P CB 0.580 32.320 31.700 0.065 0.000 0.979 169 D N 0.746 121.115 120.400 -0.051 0.000 2.478 169 D HA -0.085 4.554 4.640 -0.001 0.000 0.234 169 D C 0.695 177.007 176.300 0.021 0.000 1.154 169 D CA 0.730 54.682 54.000 -0.080 0.000 0.874 169 D CB 0.448 41.211 40.800 -0.061 0.000 1.198 169 D HN 0.315 nan 8.370 nan 0.000 0.455 170 E N 1.391 121.650 120.200 0.099 0.000 2.526 170 E HA 0.191 4.540 4.350 -0.001 0.000 0.208 170 E C 0.870 177.647 176.600 0.296 0.000 0.997 170 E CA 0.041 56.564 56.400 0.206 0.000 0.961 170 E CB 0.685 30.524 29.700 0.233 0.000 1.030 170 E HN 0.470 nan 8.360 nan 0.000 0.483 171 A N 1.433 124.384 122.820 0.218 0.000 1.901 171 A HA 0.027 4.346 4.320 -0.001 0.000 0.210 171 A C 1.815 179.292 177.584 -0.178 0.000 1.208 171 A CA 0.576 52.513 52.037 -0.166 0.000 0.644 171 A CB 0.058 18.939 19.000 -0.198 0.000 0.863 171 A HN 0.028 nan 8.150 nan 0.000 0.454 172 N N 0.583 119.270 118.700 -0.021 0.000 2.356 172 N HA 0.016 4.755 4.740 -0.001 0.000 0.178 172 N C 0.425 175.930 175.510 -0.009 0.000 1.075 172 N CA 0.748 53.779 53.050 -0.031 0.000 0.889 172 N CB 0.106 38.619 38.487 0.043 0.000 0.999 172 N HN 0.495 nan 8.380 nan 0.000 0.464 173 S N 0.720 116.424 115.700 0.007 0.000 2.564 173 S HA 0.048 4.517 4.470 -0.001 0.000 0.278 173 S C 0.020 174.639 174.600 0.032 0.000 1.333 173 S CA -0.575 57.640 58.200 0.025 0.000 1.048 173 S CB 1.189 64.406 63.200 0.027 0.000 0.900 173 S HN 0.203 nan 8.310 nan 0.000 0.505 174 H N 3.261 122.309 119.070 -0.036 0.000 2.582 174 H HA 0.049 4.604 4.556 -0.001 0.000 0.345 174 H C 1.219 176.519 175.328 -0.046 0.000 1.104 174 H CA -0.253 55.759 56.048 -0.060 0.000 1.390 174 H CB 0.550 30.225 29.762 -0.144 0.000 1.461 174 H HN 1.028 nan 8.280 nan 0.000 0.551 175 W N 5.658 126.846 121.300 -0.187 0.000 2.350 175 W HA -0.152 4.507 4.660 -0.001 0.000 0.289 175 W C 1.112 177.692 176.519 0.103 0.000 1.215 175 W CA 0.337 57.650 57.345 -0.054 0.000 1.236 175 W CB -0.468 28.894 29.460 -0.162 0.000 1.130 175 W HN 0.532 nan 8.180 nan 0.000 0.541 176 R N 0.789 120.912 120.500 -0.630 0.000 2.096 176 R HA -0.132 4.207 4.340 -0.001 0.000 0.235 176 R C 1.979 178.119 176.300 -0.267 0.000 1.127 176 R CA 1.865 57.511 56.100 -0.757 0.000 0.968 176 R CB -0.380 29.428 30.300 -0.821 0.000 0.861 176 R HN 0.153 nan 8.270 nan 0.000 0.440 177 N N -0.253 118.373 118.700 -0.122 0.000 2.376 177 N HA -0.046 4.693 4.740 -0.001 0.000 0.177 177 N C 1.715 177.230 175.510 0.008 0.000 1.024 177 N CA 0.647 53.666 53.050 -0.052 0.000 0.893 177 N CB 0.050 38.525 38.487 -0.021 0.000 0.980 177 N HN -0.007 nan 8.380 nan 0.000 0.439 178 V N 1.490 121.432 119.914 0.047 0.000 2.343 178 V HA -0.178 3.941 4.120 -0.001 0.000 0.247 178 V C 2.339 178.480 176.094 0.078 0.000 1.051 178 V CA 1.099 63.445 62.300 0.076 0.000 1.036 178 V CB -0.487 31.400 31.823 0.106 0.000 0.654 178 V HN 0.190 nan 8.190 nan 0.000 0.451 179 L N -0.285 120.993 121.223 0.093 0.000 2.046 179 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 179 L C 2.188 179.074 176.870 0.025 0.000 1.077 179 L CA 1.813 56.701 54.840 0.081 0.000 0.747 179 L CB -0.704 41.437 42.059 0.136 0.000 0.896 179 L HN 0.284 nan 8.230 nan 0.000 0.432 180 L N -0.080 121.136 121.223 -0.012 0.000 2.012 180 L HA -0.263 4.076 4.340 -0.001 0.000 0.210 180 L C 2.590 179.454 176.870 -0.010 0.000 1.073 180 L CA 2.374 57.195 54.840 -0.031 0.000 0.748 180 L CB -0.752 41.269 42.059 -0.063 0.000 0.891 180 L HN 0.682 nan 8.230 nan 0.000 0.431 181 Q N -1.013 118.804 119.800 0.028 0.000 2.172 181 Q HA -0.188 4.151 4.340 -0.001 0.000 0.200 181 Q C 2.019 178.107 176.000 0.146 0.000 0.964 181 Q CA 2.009 57.863 55.803 0.086 0.000 0.855 181 Q CB -1.126 27.700 28.738 0.146 0.000 0.918 181 Q HN 0.478 nan 8.270 nan 0.000 0.444 182 L N 0.814 122.107 121.223 0.118 0.000 2.046 182 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 182 L C 1.921 178.875 176.870 0.140 0.000 1.077 182 L CA 2.417 57.340 54.840 0.139 0.000 0.747 182 L CB -0.976 41.142 42.059 0.099 0.000 0.896 182 L HN 0.327 nan 8.230 nan 0.000 0.432 183 T N -0.985 113.620 114.554 0.085 0.000 2.821 183 T HA -0.178 4.171 4.350 -0.001 0.000 0.267 183 T C 1.727 176.483 174.700 0.093 0.000 1.046 183 T CA 1.429 63.572 62.100 0.071 0.000 1.139 183 T CB -0.166 68.716 68.868 0.023 0.000 0.871 183 T HN 0.324 nan 8.240 nan 0.000 0.454 184 E N 1.005 121.234 120.200 0.049 0.000 2.051 184 E HA -0.032 4.317 4.350 -0.001 0.000 0.192 184 E C 2.346 179.072 176.600 0.210 0.000 0.991 184 E CA 1.502 57.886 56.400 -0.025 0.000 0.799 184 E CB -0.857 28.639 29.700 -0.340 0.000 0.748 184 E HN 0.446 nan 8.360 nan 0.000 0.449 185 G N -0.101 108.919 108.800 0.367 0.000 2.402 185 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.216 185 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.216 185 G C 1.490 176.612 174.900 0.370 0.000 1.162 185 G CA 0.645 46.049 45.100 0.506 0.000 0.777 185 G HN 0.261 nan 8.290 nan 0.000 0.539 186 Q N -0.152 119.802 119.800 0.257 0.000 2.172 186 Q HA -0.054 4.285 4.340 -0.001 0.000 0.200 186 Q C 2.799 178.898 176.000 0.166 0.000 0.964 186 Q CA 1.413 57.328 55.803 0.186 0.000 0.855 186 Q CB -0.202 28.628 28.738 0.152 0.000 0.918 186 Q HN 0.410 nan 8.270 nan 0.000 0.444 187 T N 0.222 114.886 114.554 0.182 0.000 2.746 187 T HA -0.189 4.160 4.350 -0.001 0.000 0.267 187 T C 1.094 175.898 174.700 0.173 0.000 1.039 187 T CA 1.096 63.280 62.100 0.140 0.000 1.142 187 T CB -0.372 68.573 68.868 0.129 0.000 0.866 187 T HN 0.473 nan 8.240 nan 0.000 0.444 188 W N 1.558 122.960 121.300 0.169 0.000 2.355 188 W HA -0.038 4.621 4.660 -0.001 0.000 0.309 188 W C 1.804 178.442 176.519 0.199 0.000 1.206 188 W CA 0.898 58.425 57.345 0.303 0.000 1.284 188 W CB -0.428 29.285 29.460 0.423 0.000 1.145 188 W HN 0.139 nan 8.180 nan 0.000 0.502 189 L N 0.603 122.039 121.223 0.356 0.000 2.083 189 L HA -0.242 4.098 4.340 -0.001 0.000 0.209 189 L C 2.598 179.400 176.870 -0.113 0.000 1.083 189 L CA 1.835 56.710 54.840 0.058 0.000 0.752 189 L CB -0.891 41.140 42.059 -0.047 0.000 0.899 189 L HN -0.014 nan 8.230 nan 0.000 0.433 190 K N -0.071 120.282 120.400 -0.078 0.000 2.057 190 K HA -0.250 4.069 4.320 -0.001 0.000 0.206 190 K C 2.197 178.658 176.600 -0.232 0.000 1.050 190 K CA 1.487 57.704 56.287 -0.117 0.000 0.935 190 K CB -0.013 32.446 32.500 -0.070 0.000 0.715 190 K HN 0.244 nan 8.250 nan 0.000 0.439 191 Q N -0.798 118.789 119.800 -0.357 0.000 2.046 191 Q HA -0.149 4.191 4.340 -0.001 0.000 0.200 191 Q C 1.435 176.941 176.000 -0.824 0.000 0.975 191 Q CA 1.772 57.191 55.803 -0.640 0.000 0.836 191 Q CB 0.046 28.238 28.738 -0.911 0.000 0.896 191 Q HN 0.304 nan 8.270 nan 0.000 0.428 192 F N -1.466 118.113 119.950 -0.619 0.000 2.622 192 F HA 0.130 4.656 4.527 -0.001 0.000 0.288 192 F C 1.555 177.054 175.800 -0.501 0.000 1.120 192 F CA 0.250 57.821 58.000 -0.716 0.000 1.423 192 F CB 0.460 38.581 39.000 -1.465 0.000 1.127 192 F HN 0.100 nan 8.300 nan 0.000 0.588 193 M N -1.026 118.421 119.600 -0.255 0.000 2.306 193 M HA 0.243 4.722 4.480 -0.001 0.000 0.292 193 M C 0.286 176.562 176.300 -0.039 0.000 1.018 193 M CA 0.132 55.384 55.300 -0.080 0.000 1.007 193 M CB -1.050 31.534 32.600 -0.028 0.000 1.510 193 M HN 0.080 nan 8.290 nan 0.000 0.537 194 N N 2.078 120.721 118.700 -0.095 0.000 2.727 194 N HA -0.135 4.604 4.740 -0.001 0.000 0.249 194 N C -0.949 174.542 175.510 -0.031 0.000 1.048 194 N CA 0.765 53.776 53.050 -0.066 0.000 0.714 194 N CB -0.911 37.551 38.487 -0.042 0.000 0.959 194 N HN 0.404 nan 8.380 nan 0.000 0.544 195 V N -4.010 115.886 119.914 -0.029 0.000 3.049 195 V HA 0.869 4.989 4.120 -0.001 0.000 0.309 195 V C -0.024 176.056 176.094 -0.023 0.000 1.148 195 V CA -0.475 61.823 62.300 -0.003 0.000 0.990 195 V CB 2.357 34.223 31.823 0.072 0.000 1.039 195 V HN 0.047 nan 8.190 nan 0.000 0.430 196 T N 4.004 118.535 114.554 -0.038 0.000 2.930 196 T HA 0.576 4.925 4.350 -0.001 0.000 0.313 196 T C -2.764 171.855 174.700 -0.136 0.000 1.019 196 T CA -0.771 61.287 62.100 -0.069 0.000 1.004 196 T CB 1.368 70.187 68.868 -0.082 0.000 0.987 196 T HN 0.770 nan 8.240 nan 0.000 0.456 197 P HA 0.178 nan 4.420 nan 0.000 0.266 197 P C 0.835 177.750 177.300 -0.641 0.000 1.195 197 P CA -0.174 62.807 63.100 -0.198 0.000 0.768 197 P CB 0.520 32.216 31.700 -0.006 0.000 0.838 198 T N -1.843 112.390 114.554 -0.535 0.000 3.091 198 T HA 0.551 4.901 4.350 -0.001 0.000 0.277 198 T C 0.314 174.832 174.700 -0.303 0.000 0.996 198 T CA -0.298 61.365 62.100 -0.727 0.000 0.897 198 T CB 0.117 68.770 68.868 -0.358 0.000 1.109 198 T HN 0.422 nan 8.240 nan 0.000 0.534 199 A N 0.875 123.675 122.820 -0.033 0.000 2.343 199 A HA 0.804 5.123 4.320 -0.001 0.000 0.316 199 A C -0.174 177.675 177.584 0.443 0.000 1.104 199 A CA -0.707 51.462 52.037 0.220 0.000 0.768 199 A CB 1.834 20.975 19.000 0.235 0.000 1.213 199 A HN 0.268 nan 8.150 nan 0.000 0.456 200 S N 2.177 118.131 115.700 0.423 0.000 2.549 200 S HA 0.679 5.148 4.470 -0.001 0.000 0.297 200 S C -1.104 173.690 174.600 0.323 0.000 1.115 200 S CA -0.433 57.958 58.200 0.319 0.000 1.059 200 S CB 0.799 64.014 63.200 0.025 0.000 1.046 200 S HN 0.830 nan 8.310 nan 0.000 0.506 201 W N 4.632 125.951 121.300 0.031 0.000 2.463 201 W HA 0.628 5.287 4.660 -0.001 0.000 0.316 201 W C -1.384 175.086 176.519 -0.082 0.000 1.004 201 W CA -0.841 56.473 57.345 -0.052 0.000 1.309 201 W CB 1.100 30.499 29.460 -0.101 0.000 1.288 201 W HN 0.795 nan 8.180 nan 0.000 0.423 202 A N 7.852 130.532 122.820 -0.233 0.000 2.842 202 A HA 0.267 4.587 4.320 -0.001 0.000 0.339 202 A C 0.438 177.781 177.584 -0.401 0.000 1.177 202 A CA -0.480 51.422 52.037 -0.224 0.000 0.797 202 A CB -0.420 18.574 19.000 -0.010 0.000 1.094 202 A HN 0.702 nan 8.150 nan 0.000 0.474 203 I N -2.782 117.349 120.570 -0.731 0.000 3.419 203 I HA 0.224 4.393 4.170 -0.001 0.000 0.286 203 I C 0.810 176.591 176.117 -0.561 0.000 1.268 203 I CA 0.985 61.806 61.300 -0.799 0.000 1.414 203 I CB 0.327 37.559 38.000 -1.281 0.000 1.074 203 I HN 0.320 nan 8.210 nan 0.000 0.457 204 D N 0.256 120.300 120.400 -0.593 0.000 2.489 204 D HA 0.248 4.887 4.640 -0.001 0.000 0.231 204 D C -2.215 173.661 176.300 -0.706 0.000 1.114 204 D CA -0.718 52.925 54.000 -0.595 0.000 0.842 204 D CB 0.138 40.489 40.800 -0.748 0.000 1.133 204 D HN 0.191 nan 8.370 nan 0.000 0.506 205 P HA 0.069 nan 4.420 nan 0.000 0.269 205 P C -0.521 176.354 177.300 -0.708 0.000 1.209 205 P CA -0.020 62.578 63.100 -0.836 0.000 0.776 205 P CB 0.205 31.573 31.700 -0.555 0.000 0.876 206 F N 2.051 121.775 119.950 -0.377 0.000 2.541 206 F HA 0.535 5.061 4.527 -0.001 0.000 0.351 206 F C 1.434 177.174 175.800 -0.099 0.000 1.209 206 F CA -0.599 57.139 58.000 -0.436 0.000 1.277 206 F CB -1.140 37.730 39.000 -0.216 0.000 1.632 206 F HN 0.509 nan 8.300 nan 0.000 0.619 207 G N 1.259 109.825 108.800 -0.390 0.000 2.662 207 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.686 207 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.686 207 G C -1.483 173.051 174.900 -0.610 0.000 1.271 207 G CA -1.158 43.784 45.100 -0.263 0.000 0.816 207 G HN 0.609 nan 8.290 nan 0.000 0.608 208 H N -0.542 118.220 119.070 -0.514 0.000 2.717 208 H HA 0.732 5.288 4.556 -0.001 0.000 0.366 208 H C -0.347 174.894 175.328 -0.145 0.000 1.132 208 H CA 0.042 55.999 56.048 -0.151 0.000 1.180 208 H CB 2.030 31.858 29.762 0.109 0.000 1.678 208 H HN 0.690 nan 8.280 nan 0.000 0.537 209 S N 2.456 118.311 115.700 0.258 0.000 2.501 209 S HA 0.265 4.734 4.470 -0.001 0.000 0.301 209 S C -1.801 172.833 174.600 0.057 0.000 1.096 209 S CA -1.807 56.554 58.200 0.270 0.000 1.063 209 S CB 1.323 64.720 63.200 0.327 0.000 1.042 209 S HN 0.439 nan 8.310 nan 0.000 0.494 210 P HA 0.023 nan 4.420 nan 0.000 0.234 210 P C 1.079 178.126 177.300 -0.422 0.000 1.167 210 P CA 0.712 63.424 63.100 -0.646 0.000 0.763 210 P CB -0.284 31.192 31.700 -0.373 0.000 0.835 211 T N -0.382 114.056 114.554 -0.193 0.000 2.833 211 T HA -0.144 4.205 4.350 -0.001 0.000 0.269 211 T C 1.723 176.374 174.700 -0.081 0.000 1.054 211 T CA 1.324 63.348 62.100 -0.127 0.000 1.135 211 T CB -0.478 68.352 68.868 -0.064 0.000 0.869 211 T HN 0.028 nan 8.240 nan 0.000 0.466 212 M N 1.898 121.413 119.600 -0.142 0.000 2.059 212 M HA 0.014 4.493 4.480 -0.001 0.000 0.259 212 M C -1.085 175.081 176.300 -0.222 0.000 1.072 212 M CA 1.351 56.567 55.300 -0.141 0.000 1.117 212 M CB -1.108 31.439 32.600 -0.089 0.000 1.320 212 M HN 0.023 nan 8.290 nan 0.000 0.408 213 P HA -0.203 nan 4.420 nan 0.000 0.218 213 P C 1.452 178.630 177.300 -0.203 0.000 1.148 213 P CA 1.452 64.362 63.100 -0.318 0.000 0.822 213 P CB -0.540 30.868 31.700 -0.487 0.000 0.784 214 Y N 1.056 121.170 120.300 -0.311 0.000 2.097 214 Y HA -0.209 4.340 4.550 -0.001 0.000 0.282 214 Y C 2.405 178.221 175.900 -0.141 0.000 1.152 214 Y CA 1.729 59.708 58.100 -0.202 0.000 1.136 214 Y CB -0.940 37.416 38.460 -0.175 0.000 0.975 214 Y HN -0.237 nan 8.280 nan 0.000 0.498 215 I N -0.417 120.184 120.570 0.052 0.000 2.252 215 I HA -0.302 3.867 4.170 -0.001 0.000 0.245 215 I C 2.275 178.329 176.117 -0.106 0.000 1.102 215 I CA 1.123 62.418 61.300 -0.008 0.000 1.385 215 I CB -0.402 37.648 38.000 0.084 0.000 1.064 215 I HN 0.269 nan 8.210 nan 0.000 0.414 216 L N 0.100 121.209 121.223 -0.190 0.000 2.046 216 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 216 L C 2.695 179.545 176.870 -0.034 0.000 1.077 216 L CA 1.251 55.907 54.840 -0.306 0.000 0.747 216 L CB -0.712 40.979 42.059 -0.613 0.000 0.896 216 L HN 0.344 nan 8.230 nan 0.000 0.432 217 Q N 1.059 120.809 119.800 -0.082 0.000 2.226 217 Q HA -0.193 4.147 4.340 -0.001 0.000 0.204 217 Q C 1.674 177.637 176.000 -0.062 0.000 0.975 217 Q CA 1.470 57.246 55.803 -0.045 0.000 0.866 217 Q CB 0.126 28.806 28.738 -0.096 0.000 0.915 217 Q HN 0.467 nan 8.270 nan 0.000 0.440 218 K N -0.504 119.820 120.400 -0.127 0.000 2.444 218 K HA 0.112 4.431 4.320 -0.001 0.000 0.193 218 K C 0.653 177.220 176.600 -0.055 0.000 1.024 218 K CA 0.116 56.323 56.287 -0.134 0.000 1.077 218 K CB 0.527 32.879 32.500 -0.247 0.000 0.833 218 K HN -0.075 nan 8.250 nan 0.000 0.517 219 S N -0.246 115.475 115.700 0.036 0.000 2.754 219 S HA 0.206 4.675 4.470 -0.001 0.000 0.247 219 S C 0.768 175.472 174.600 0.174 0.000 1.031 219 S CA 0.103 58.370 58.200 0.112 0.000 1.014 219 S CB 1.295 64.602 63.200 0.180 0.000 0.918 219 S HN 0.523 nan 8.310 nan 0.000 0.519 220 G N 1.205 110.061 108.800 0.093 0.000 2.176 220 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.253 220 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.253 220 G C -0.010 174.873 174.900 -0.030 0.000 0.979 220 G CA -0.432 44.666 45.100 -0.002 0.000 0.641 220 G HN 0.436 nan 8.290 nan 0.000 0.530 221 F N 0.454 120.365 119.950 -0.064 0.000 2.450 221 F HA 0.565 5.092 4.527 -0.001 0.000 0.339 221 F C 1.610 177.354 175.800 -0.095 0.000 1.146 221 F CA 0.101 58.059 58.000 -0.071 0.000 1.267 221 F CB 0.870 39.832 39.000 -0.063 0.000 1.178 221 F HN -0.182 nan 8.300 nan 0.000 0.585 222 K N 0.684 121.107 120.400 0.038 0.000 2.464 222 K HA 0.253 4.572 4.320 -0.001 0.000 0.206 222 K C -0.421 176.121 176.600 -0.097 0.000 1.186 222 K CA 0.252 56.501 56.287 -0.063 0.000 0.990 222 K CB 0.327 32.740 32.500 -0.145 0.000 1.003 222 K HN 0.530 nan 8.250 nan 0.000 0.562 223 N N 0.799 119.425 118.700 -0.125 0.000 2.405 223 N HA 0.385 5.124 4.740 -0.001 0.000 0.274 223 N C -0.947 174.412 175.510 -0.252 0.000 1.170 223 N CA -0.398 52.410 53.050 -0.403 0.000 0.848 223 N CB 2.525 40.208 38.487 -1.339 0.000 1.629 223 N HN -0.072 nan 8.380 nan 0.000 0.481 224 M N -0.319 119.148 119.600 -0.223 0.000 2.569 224 M HA 0.638 5.118 4.480 -0.001 0.000 0.279 224 M C -1.963 174.402 176.300 0.108 0.000 1.253 224 M CA -0.949 54.346 55.300 -0.008 0.000 0.867 224 M CB 2.918 35.505 32.600 -0.022 0.000 1.727 224 M HN 0.470 nan 8.290 nan 0.000 0.467 225 L N 3.680 124.985 121.223 0.136 0.000 2.386 225 L HA 0.872 5.211 4.340 -0.001 0.000 0.271 225 L C -1.453 175.308 176.870 -0.183 0.000 0.993 225 L CA -0.732 54.149 54.840 0.069 0.000 0.819 225 L CB 1.993 44.137 42.059 0.141 0.000 1.294 225 L HN 0.949 nan 8.230 nan 0.000 0.414 226 I N 0.986 121.360 120.570 -0.326 0.000 3.042 226 I HA 0.621 4.791 4.170 -0.001 0.000 0.310 226 I C -0.714 175.115 176.117 -0.480 0.000 1.117 226 I CA -0.563 60.363 61.300 -0.623 0.000 1.003 226 I CB 2.264 39.601 38.000 -1.105 0.000 1.228 226 I HN 0.740 nan 8.210 nan 0.000 0.443 227 Q N 1.932 121.513 119.800 -0.366 0.000 2.546 227 Q HA 0.329 4.668 4.340 -0.001 0.000 0.226 227 Q C 0.027 175.936 176.000 -0.152 0.000 0.769 227 Q CA 0.382 56.047 55.803 -0.230 0.000 0.954 227 Q CB 0.633 29.225 28.738 -0.243 0.000 1.319 227 Q HN 0.655 nan 8.270 nan 0.000 0.534 228 R N 2.119 122.558 120.500 -0.102 0.000 2.608 228 R HA 0.321 4.661 4.340 -0.001 0.000 0.277 228 R C -0.686 175.412 176.300 -0.337 0.000 1.341 228 R CA 0.580 56.377 56.100 -0.506 0.000 1.199 228 R CB 0.186 29.844 30.300 -1.070 0.000 1.156 228 R HN 0.393 nan 8.270 nan 0.000 0.558 229 T N -2.477 112.081 114.554 0.007 0.000 2.924 229 T HA 0.139 4.488 4.350 -0.001 0.000 0.291 229 T C 0.010 174.961 174.700 0.419 0.000 1.045 229 T CA -0.883 61.333 62.100 0.193 0.000 1.015 229 T CB 1.847 70.660 68.868 -0.092 0.000 1.103 229 T HN 0.405 nan 8.240 nan 0.000 0.496 230 H N 1.970 121.239 119.070 0.333 0.000 3.064 230 H HA -0.038 4.518 4.556 -0.001 0.000 0.329 230 H C 1.093 176.456 175.328 0.057 0.000 1.020 230 H CA 0.468 56.600 56.048 0.140 0.000 1.402 230 H CB 0.343 30.218 29.762 0.189 0.000 1.379 230 H HN 0.934 nan 8.280 nan 0.000 0.594 231 Y N 2.401 122.795 120.300 0.157 0.000 2.241 231 Y HA -0.194 4.355 4.550 -0.001 0.000 0.286 231 Y C 2.164 178.226 175.900 0.270 0.000 1.166 231 Y CA 1.068 59.291 58.100 0.206 0.000 1.203 231 Y CB -0.659 37.859 38.460 0.098 0.000 0.977 231 Y HN 0.299 nan 8.280 nan 0.000 0.529 232 S N 0.297 116.010 115.700 0.022 0.000 2.406 232 S HA -0.110 4.360 4.470 -0.001 0.000 0.228 232 S C 2.071 176.579 174.600 -0.154 0.000 1.020 232 S CA 1.123 59.240 58.200 -0.137 0.000 0.965 232 S CB -0.516 62.381 63.200 -0.505 0.000 0.798 232 S HN 0.375 nan 8.310 nan 0.000 0.488 233 V N 1.999 121.880 119.914 -0.055 0.000 2.358 233 V HA -0.167 3.952 4.120 -0.001 0.000 0.246 233 V C 2.223 178.348 176.094 0.051 0.000 1.047 233 V CA 1.583 63.885 62.300 0.004 0.000 1.035 233 V CB -0.517 31.414 31.823 0.179 0.000 0.658 233 V HN 0.408 nan 8.190 nan 0.000 0.452 234 K N 0.170 120.643 120.400 0.122 0.000 2.063 234 K HA -0.255 4.065 4.320 -0.001 0.000 0.208 234 K C 2.267 178.996 176.600 0.215 0.000 1.048 234 K CA 1.835 58.214 56.287 0.152 0.000 0.928 234 K CB -0.252 32.395 32.500 0.244 0.000 0.713 234 K HN 0.352 nan 8.250 nan 0.000 0.442 235 K N 1.213 121.738 120.400 0.208 0.000 2.026 235 K HA -0.248 4.071 4.320 -0.001 0.000 0.208 235 K C 2.164 178.850 176.600 0.143 0.000 1.048 235 K CA 1.851 58.264 56.287 0.211 0.000 0.929 235 K CB 0.018 32.569 32.500 0.084 0.000 0.713 235 K HN -0.004 nan 8.250 nan 0.000 0.439 236 E N 0.769 120.975 120.200 0.010 0.000 2.051 236 E HA -0.151 4.198 4.350 -0.001 0.000 0.192 236 E C 1.943 178.531 176.600 -0.021 0.000 0.991 236 E CA 1.417 57.782 56.400 -0.059 0.000 0.799 236 E CB -0.156 29.461 29.700 -0.139 0.000 0.748 236 E HN 0.351 nan 8.360 nan 0.000 0.449 237 L N -0.220 121.004 121.223 0.001 0.000 2.109 237 L HA -0.036 4.303 4.340 -0.001 0.000 0.207 237 L C 2.525 179.414 176.870 0.032 0.000 1.086 237 L CA 0.863 55.699 54.840 -0.007 0.000 0.760 237 L CB -0.575 41.465 42.059 -0.031 0.000 0.910 237 L HN 0.214 nan 8.230 nan 0.000 0.437 238 A N -0.193 122.699 122.820 0.120 0.000 1.908 238 A HA -0.266 4.053 4.320 -0.001 0.000 0.218 238 A C 2.214 179.981 177.584 0.305 0.000 1.181 238 A CA 1.610 53.781 52.037 0.223 0.000 0.627 238 A CB -0.494 18.798 19.000 0.488 0.000 0.818 238 A HN 0.466 nan 8.150 nan 0.000 0.445 239 Q N -1.059 118.859 119.800 0.196 0.000 2.226 239 Q HA -0.153 4.186 4.340 -0.001 0.000 0.204 239 Q C 1.357 177.335 176.000 -0.035 0.000 0.975 239 Q CA 1.276 57.032 55.803 -0.077 0.000 0.866 239 Q CB -0.019 28.545 28.738 -0.290 0.000 0.915 239 Q HN 0.598 nan 8.270 nan 0.000 0.440 240 Q N -0.246 119.551 119.800 -0.006 0.000 2.247 240 Q HA 0.140 4.480 4.340 -0.001 0.000 0.204 240 Q C -0.416 175.597 176.000 0.023 0.000 0.872 240 Q CA -0.016 55.783 55.803 -0.007 0.000 0.951 240 Q CB 0.653 29.377 28.738 -0.023 0.000 1.099 240 Q HN 0.272 nan 8.270 nan 0.000 0.501 241 R N 0.833 121.353 120.500 0.034 0.000 3.322 241 R HA -0.214 4.125 4.340 -0.001 0.000 0.253 241 R C -0.133 176.198 176.300 0.053 0.000 0.987 241 R CA 0.466 56.578 56.100 0.021 0.000 0.666 241 R CB -1.876 28.462 30.300 0.063 0.000 1.072 241 R HN 0.384 nan 8.270 nan 0.000 0.447 242 Q N 0.060 119.879 119.800 0.032 0.000 2.186 242 Q HA 0.194 4.533 4.340 -0.001 0.000 0.241 242 Q C 1.194 177.270 176.000 0.127 0.000 0.849 242 Q CA -0.229 55.625 55.803 0.086 0.000 1.053 242 Q CB 0.540 29.294 28.738 0.026 0.000 1.146 242 Q HN 0.443 nan 8.270 nan 0.000 0.475 243 L N 0.036 121.269 121.223 0.017 0.000 2.418 243 L HA 0.051 4.391 4.340 -0.001 0.000 0.218 243 L C 0.319 177.175 176.870 -0.023 0.000 1.125 243 L CA 0.918 55.743 54.840 -0.025 0.000 0.835 243 L CB 0.328 42.190 42.059 -0.329 0.000 0.953 243 L HN 0.185 nan 8.230 nan 0.000 0.454 244 E N 0.182 120.405 120.200 0.038 0.000 2.171 244 E HA 0.522 4.871 4.350 -0.001 0.000 0.271 244 E C -1.230 175.275 176.600 -0.159 0.000 0.916 244 E CA -0.545 55.674 56.400 -0.302 0.000 0.774 244 E CB 1.548 31.191 29.700 -0.095 0.000 1.128 244 E HN -0.001 nan 8.360 nan 0.000 0.403 245 F N -0.279 119.405 119.950 -0.443 0.000 2.668 245 F HA 0.462 4.988 4.527 -0.001 0.000 0.309 245 F C -1.538 174.148 175.800 -0.189 0.000 1.117 245 F CA -1.388 56.502 58.000 -0.184 0.000 0.951 245 F CB 0.751 39.676 39.000 -0.125 0.000 1.323 245 F HN 0.160 nan 8.300 nan 0.000 0.451 246 L N 2.682 124.061 121.223 0.260 0.000 2.268 246 L HA 0.170 4.510 4.340 -0.001 0.000 0.289 246 L C -1.073 176.026 176.870 0.383 0.000 1.064 246 L CA -0.203 54.790 54.840 0.255 0.000 0.824 246 L CB 0.482 42.692 42.059 0.252 0.000 1.202 246 L HN 0.591 nan 8.230 nan 0.000 0.433 247 W N 6.850 128.257 121.300 0.178 0.000 2.342 247 W HA 0.351 5.011 4.660 -0.001 0.000 0.310 247 W C 0.191 176.737 176.519 0.046 0.000 1.128 247 W CA -1.311 56.160 57.345 0.209 0.000 1.322 247 W CB 0.515 30.137 29.460 0.271 0.000 1.251 247 W HN 0.516 nan 8.180 nan 0.000 0.439 248 R N 3.753 124.435 120.500 0.304 0.000 2.758 248 R HA 0.540 4.879 4.340 -0.001 0.000 0.265 248 R C -0.081 176.132 176.300 -0.144 0.000 1.016 248 R CA -0.881 55.222 56.100 0.005 0.000 1.040 248 R CB 1.102 31.387 30.300 -0.025 0.000 1.152 248 R HN 0.250 nan 8.270 nan 0.000 0.503 249 Q N 1.355 120.910 119.800 -0.408 0.000 2.421 249 Q HA 0.058 4.397 4.340 -0.001 0.000 0.255 249 Q C 1.467 177.070 176.000 -0.661 0.000 1.013 249 Q CA 0.100 55.456 55.803 -0.746 0.000 0.895 249 Q CB 0.825 28.651 28.738 -1.521 0.000 1.271 249 Q HN 0.846 nan 8.270 nan 0.000 0.460 250 I N -2.120 118.167 120.570 -0.472 0.000 2.567 250 I HA -0.152 4.017 4.170 -0.001 0.000 0.257 250 I C 1.318 177.386 176.117 -0.083 0.000 1.184 250 I CA 1.266 62.461 61.300 -0.176 0.000 1.451 250 I CB -0.363 37.632 38.000 -0.009 0.000 1.089 250 I HN 0.676 nan 8.210 nan 0.000 0.441 251 W N 1.342 122.707 121.300 0.108 0.000 3.278 251 W HA 0.357 5.016 4.660 -0.001 0.000 0.308 251 W C 0.253 176.852 176.519 0.132 0.000 1.253 251 W CA -0.624 56.845 57.345 0.206 0.000 1.759 251 W CB -0.678 28.997 29.460 0.358 0.000 1.093 251 W HN -0.058 nan 8.180 nan 0.000 0.648 252 D N 1.909 122.069 120.400 -0.399 0.000 2.374 252 D HA -0.028 4.611 4.640 -0.001 0.000 0.240 252 D C 1.026 177.304 176.300 -0.036 0.000 1.229 252 D CA 0.181 54.065 54.000 -0.194 0.000 0.895 252 D CB 0.331 40.915 40.800 -0.360 0.000 1.046 252 D HN 0.088 nan 8.370 nan 0.000 0.498 253 N N 3.827 122.567 118.700 0.066 0.000 2.216 253 N HA -0.139 4.600 4.740 -0.001 0.000 0.183 253 N C 1.430 176.961 175.510 0.035 0.000 1.017 253 N CA 1.164 54.244 53.050 0.051 0.000 0.861 253 N CB 0.136 38.675 38.487 0.085 0.000 0.986 253 N HN 0.353 nan 8.380 nan 0.000 0.428 254 K N -1.312 119.114 120.400 0.043 0.000 2.137 254 K HA 0.080 4.399 4.320 -0.001 0.000 0.202 254 K C 0.555 177.170 176.600 0.025 0.000 1.052 254 K CA 0.982 57.290 56.287 0.036 0.000 0.961 254 K CB 0.049 32.576 32.500 0.044 0.000 0.741 254 K HN 0.275 nan 8.250 nan 0.000 0.452 255 G N 1.649 110.457 108.800 0.012 0.000 2.148 255 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.203 255 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.203 255 G C 0.075 174.979 174.900 0.006 0.000 0.993 255 G CA 0.492 45.596 45.100 0.007 0.000 0.661 255 G HN 0.555 nan 8.290 nan 0.000 0.518 256 D N 0.472 120.876 120.400 0.007 0.000 2.309 256 D HA -0.007 4.633 4.640 -0.001 0.000 0.212 256 D C 2.270 178.559 176.300 -0.019 0.000 0.968 256 D CA 1.720 55.722 54.000 0.004 0.000 0.882 256 D CB -0.438 40.372 40.800 0.018 0.000 0.918 256 D HN 0.637 nan 8.370 nan 0.000 0.503 257 T N -2.713 111.819 114.554 -0.037 0.000 3.100 257 T HA 0.351 4.701 4.350 -0.001 0.000 0.253 257 T C 1.035 175.697 174.700 -0.065 0.000 1.118 257 T CA -0.160 61.896 62.100 -0.073 0.000 1.058 257 T CB -0.277 68.527 68.868 -0.107 0.000 0.953 257 T HN 0.232 nan 8.240 nan 0.000 0.515 258 A N 1.471 124.279 122.820 -0.019 0.000 2.511 258 A HA 0.558 4.877 4.320 -0.001 0.000 0.242 258 A C -0.297 177.309 177.584 0.038 0.000 1.069 258 A CA -0.331 51.727 52.037 0.035 0.000 0.763 258 A CB -0.111 18.934 19.000 0.076 0.000 1.001 258 A HN 0.538 nan 8.150 nan 0.000 0.498 259 L N 2.787 124.052 121.223 0.071 0.000 2.409 259 L HA 0.555 4.894 4.340 -0.001 0.000 0.272 259 L C -0.639 176.294 176.870 0.106 0.000 0.980 259 L CA -0.562 54.316 54.840 0.064 0.000 0.826 259 L CB 1.415 43.475 42.059 0.002 0.000 1.268 259 L HN 0.659 nan 8.230 nan 0.000 0.407 260 F N 3.874 123.790 119.950 -0.057 0.000 2.578 260 F HA 0.378 4.904 4.527 -0.001 0.000 0.381 260 F C 0.049 175.735 175.800 -0.191 0.000 1.069 260 F CA 0.800 58.732 58.000 -0.113 0.000 1.231 260 F CB 0.428 39.381 39.000 -0.078 0.000 1.086 260 F HN 0.558 nan 8.300 nan 0.000 0.564 261 T N 5.348 119.328 114.554 -0.956 0.000 2.886 261 T HA 0.202 4.551 4.350 -0.001 0.000 0.292 261 T C -1.625 172.436 174.700 -1.065 0.000 1.012 261 T CA -0.484 61.134 62.100 -0.803 0.000 0.982 261 T CB 0.917 69.304 68.868 -0.802 0.000 1.018 261 T HN 0.608 nan 8.240 nan 0.000 0.451 262 H N 2.800 121.558 119.070 -0.520 0.000 2.541 262 H HA 0.623 5.179 4.556 -0.001 0.000 0.316 262 H C -0.406 174.731 175.328 -0.317 0.000 1.043 262 H CA -0.730 55.132 56.048 -0.310 0.000 1.232 262 H CB 0.739 30.541 29.762 0.065 0.000 1.406 262 H HN 0.473 nan 8.280 nan 0.000 0.469 263 M N 6.858 126.137 119.600 -0.534 0.000 2.157 263 M HA 0.301 4.781 4.480 -0.001 0.000 0.354 263 M C -0.974 175.090 176.300 -0.392 0.000 1.170 263 M CA -0.588 54.473 55.300 -0.397 0.000 1.060 263 M CB 0.694 33.113 32.600 -0.303 0.000 1.615 263 M HN 0.668 nan 8.290 nan 0.000 0.460 264 M N 6.836 126.301 119.600 -0.225 0.000 2.243 264 M HA 0.217 4.696 4.480 -0.001 0.000 0.341 264 M C -1.626 174.547 176.300 -0.212 0.000 1.130 264 M CA -1.337 53.873 55.300 -0.150 0.000 1.162 264 M CB 0.484 33.016 32.600 -0.112 0.000 1.497 264 M HN 0.469 nan 8.290 nan 0.000 0.456 265 P HA 0.123 nan 4.420 nan 0.000 0.245 265 P C -0.409 176.716 177.300 -0.293 0.000 1.203 265 P CA 0.854 63.659 63.100 -0.492 0.000 0.792 265 P CB 0.335 31.425 31.700 -1.016 0.000 0.997 266 F N -1.954 118.008 119.950 0.020 0.000 2.611 266 F HA 0.307 4.833 4.527 -0.001 0.000 0.374 266 F C 1.951 177.841 175.800 0.151 0.000 1.110 266 F CA -1.430 56.619 58.000 0.081 0.000 1.090 266 F CB -0.813 38.168 39.000 -0.031 0.000 1.388 266 F HN -0.321 nan 8.300 nan 0.000 0.501 267 Y N 0.058 120.506 120.300 0.246 0.000 2.373 267 Y HA 0.132 4.682 4.550 -0.001 0.000 0.293 267 Y C 0.877 176.696 175.900 -0.135 0.000 1.129 267 Y CA 1.307 59.412 58.100 0.008 0.000 1.226 267 Y CB 0.083 38.449 38.460 -0.157 0.000 1.000 267 Y HN 0.359 nan 8.280 nan 0.000 0.549 268 S N -1.722 113.822 115.700 -0.260 0.000 2.651 268 S HA 0.254 4.723 4.470 -0.001 0.000 0.279 268 S C -0.383 174.142 174.600 -0.126 0.000 1.148 268 S CA -0.383 57.566 58.200 -0.418 0.000 0.837 268 S CB 0.309 63.193 63.200 -0.527 0.000 1.138 268 S HN 0.292 nan 8.310 nan 0.000 0.478 269 Y N 0.808 121.061 120.300 -0.079 0.000 2.466 269 Y HA 0.318 4.867 4.550 -0.001 0.000 0.272 269 Y C 0.402 176.384 175.900 0.136 0.000 1.169 269 Y CA -0.591 57.496 58.100 -0.021 0.000 1.285 269 Y CB -0.993 37.365 38.460 -0.170 0.000 1.078 269 Y HN 0.539 nan 8.280 nan 0.000 0.523 270 D N 0.623 121.028 120.400 0.008 0.000 2.371 270 D HA -0.019 4.620 4.640 -0.001 0.000 0.242 270 D C 1.229 177.658 176.300 0.215 0.000 1.218 270 D CA -0.414 53.678 54.000 0.154 0.000 0.945 270 D CB 0.850 41.701 40.800 0.084 0.000 1.137 270 D HN 0.254 nan 8.370 nan 0.000 0.464 271 I N -0.147 120.528 120.570 0.175 0.000 2.226 271 I HA -0.162 4.007 4.170 -0.001 0.000 0.245 271 I C -0.742 175.415 176.117 0.065 0.000 1.100 271 I CA 0.906 62.293 61.300 0.146 0.000 1.374 271 I CB -1.192 36.882 38.000 0.124 0.000 1.057 271 I HN 0.360 nan 8.210 nan 0.000 0.413 272 P HA -0.154 nan 4.420 nan 0.000 0.221 272 P C 0.621 177.612 177.300 -0.515 0.000 1.145 272 P CA 1.627 64.549 63.100 -0.297 0.000 0.795 272 P CB -0.136 31.363 31.700 -0.335 0.000 0.775 273 H N -2.848 116.214 119.070 -0.012 0.000 2.528 273 H HA 0.211 4.766 4.556 -0.001 0.000 0.282 273 H C 0.954 176.378 175.328 0.159 0.000 1.097 273 H CA 0.625 56.679 56.048 0.010 0.000 1.121 273 H CB -0.187 29.649 29.762 0.123 0.000 1.590 273 H HN 0.112 nan 8.280 nan 0.000 0.553 274 T N -4.210 110.460 114.554 0.194 0.000 2.986 274 T HA -0.025 4.325 4.350 -0.001 0.000 0.264 274 T C 1.825 176.648 174.700 0.204 0.000 0.964 274 T CA 0.358 62.599 62.100 0.236 0.000 0.895 274 T CB -0.691 68.307 68.868 0.217 0.000 1.163 274 T HN 0.504 nan 8.240 nan 0.000 0.517 275 c N 1.572 120.260 118.600 0.147 0.000 2.495 275 c HA 0.702 5.272 4.570 -0.001 0.000 0.275 275 c C 1.349 175.558 174.090 0.197 0.000 1.392 275 c CA 0.425 56.879 56.329 0.207 0.000 1.766 275 c CB -1.158 41.431 42.510 0.133 0.000 1.933 275 c HN 0.890 nan 8.230 nan 0.000 0.519 276 G N -0.347 108.491 108.800 0.064 0.000 2.324 276 G HA2 0.370 4.329 3.960 -0.001 0.000 0.293 276 G HA3 0.370 4.329 3.960 -0.001 0.000 0.293 276 G C -2.734 171.786 174.900 -0.633 0.000 1.297 276 G CA 0.226 45.299 45.100 -0.045 0.000 0.853 276 G HN -0.100 nan 8.290 nan 0.000 0.535 277 P HA 0.104 nan 4.420 nan 0.000 0.229 277 P C -0.128 176.746 177.300 -0.710 0.000 1.160 277 P CA 1.024 63.431 63.100 -1.156 0.000 0.777 277 P CB 0.378 31.718 31.700 -0.599 0.000 0.814 278 D N 0.893 120.992 120.400 -0.501 0.000 2.454 278 D HA 0.147 4.786 4.640 -0.001 0.000 0.225 278 D C -1.533 174.422 176.300 -0.576 0.000 1.081 278 D CA -2.616 51.133 54.000 -0.419 0.000 0.864 278 D CB 1.348 41.989 40.800 -0.266 0.000 1.040 278 D HN -0.014 nan 8.370 nan 0.000 0.517 279 P HA -0.128 nan 4.420 nan 0.000 0.223 279 P C 1.224 177.706 177.300 -1.363 0.000 1.151 279 P CA 0.630 62.974 63.100 -1.260 0.000 0.787 279 P CB 0.498 31.132 31.700 -1.777 0.000 0.788 280 K N 0.320 120.065 120.400 -1.091 0.000 2.147 280 K HA -0.069 4.251 4.320 -0.001 0.000 0.205 280 K C 1.770 178.192 176.600 -0.298 0.000 1.049 280 K CA 1.088 57.044 56.287 -0.552 0.000 0.936 280 K CB -0.214 32.145 32.500 -0.234 0.000 0.722 280 K HN -0.065 nan 8.250 nan 0.000 0.446 281 V N 0.350 120.093 119.914 -0.285 0.000 2.379 281 V HA -0.233 3.887 4.120 -0.001 0.000 0.243 281 V C 2.402 178.468 176.094 -0.047 0.000 1.035 281 V CA 1.359 63.584 62.300 -0.124 0.000 1.035 281 V CB -0.308 31.457 31.823 -0.096 0.000 0.673 281 V HN 0.472 nan 8.190 nan 0.000 0.457 282 c N -0.675 117.820 118.600 -0.176 0.000 2.413 282 c HA -0.209 4.361 4.570 -0.001 0.000 0.277 282 c C 2.989 177.046 174.090 -0.054 0.000 1.265 282 c CA 0.855 57.140 56.329 -0.074 0.000 1.752 282 c CB -1.487 40.899 42.510 -0.207 0.000 1.998 282 c HN 0.762 nan 8.230 nan 0.000 0.489 283 c N 0.826 119.307 118.600 -0.199 0.000 2.410 283 c HA -0.149 4.420 4.570 -0.001 0.000 0.281 283 c C 2.621 176.605 174.090 -0.177 0.000 1.318 283 c CA 1.227 57.491 56.329 -0.109 0.000 1.776 283 c CB -1.482 41.042 42.510 0.023 0.000 1.942 283 c HN 0.640 nan 8.230 nan 0.000 0.508 284 Q N -1.318 118.324 119.800 -0.262 0.000 2.500 284 Q HA -0.041 4.299 4.340 -0.001 0.000 0.213 284 Q C 0.697 176.030 176.000 -1.111 0.000 0.974 284 Q CA 1.066 56.520 55.803 -0.581 0.000 0.918 284 Q CB -0.041 28.333 28.738 -0.607 0.000 0.980 284 Q HN 0.755 nan 8.270 nan 0.000 0.505 285 F N -0.380 119.272 119.950 -0.497 0.000 2.668 285 F HA 0.167 4.693 4.527 -0.001 0.000 0.301 285 F C 0.212 175.729 175.800 -0.472 0.000 1.106 285 F CA -0.599 57.004 58.000 -0.662 0.000 1.289 285 F CB 0.767 39.632 39.000 -0.226 0.000 1.006 285 F HN -0.149 nan 8.300 nan 0.000 0.535 286 D N 0.099 120.286 120.400 -0.355 0.000 2.467 286 D HA 0.135 4.774 4.640 -0.001 0.000 0.220 286 D C 0.501 176.631 176.300 -0.284 0.000 1.103 286 D CA -0.306 53.594 54.000 -0.165 0.000 0.886 286 D CB 0.124 40.883 40.800 -0.069 0.000 1.025 286 D HN 0.088 nan 8.370 nan 0.000 0.514 287 F N 1.793 121.746 119.950 0.006 0.000 2.802 287 F HA 0.100 4.627 4.527 -0.001 0.000 0.300 287 F C 2.352 178.095 175.800 -0.095 0.000 1.168 287 F CA 0.264 58.240 58.000 -0.039 0.000 1.433 287 F CB 0.073 39.072 39.000 -0.003 0.000 1.115 287 F HN 0.274 nan 8.300 nan 0.000 0.582 288 K N 0.791 121.124 120.400 -0.113 0.000 2.504 288 K HA 0.001 4.321 4.320 -0.001 0.000 0.195 288 K C 1.069 177.612 176.600 -0.095 0.000 1.036 288 K CA 0.429 56.497 56.287 -0.366 0.000 0.984 288 K CB 0.081 32.232 32.500 -0.581 0.000 0.788 288 K HN 0.199 nan 8.250 nan 0.000 0.488 289 R N 0.176 120.657 120.500 -0.031 0.000 2.721 289 R HA 0.181 4.521 4.340 -0.001 0.000 0.296 289 R C 0.854 177.183 176.300 0.048 0.000 1.174 289 R CA -0.156 55.953 56.100 0.016 0.000 1.129 289 R CB 0.194 30.483 30.300 -0.018 0.000 1.316 289 R HN 0.195 nan 8.270 nan 0.000 0.571 290 M N -1.328 118.340 119.600 0.114 0.000 2.502 290 M HA 0.197 4.676 4.480 -0.001 0.000 0.243 290 M C 1.177 177.521 176.300 0.074 0.000 1.130 290 M CA 0.688 56.038 55.300 0.083 0.000 1.055 290 M CB 0.972 33.629 32.600 0.095 0.000 1.457 290 M HN 0.483 nan 8.290 nan 0.000 0.488 291 G N 0.081 108.942 108.800 0.102 0.000 3.465 291 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.196 291 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.196 291 G C 1.016 175.932 174.900 0.026 0.000 1.170 291 G CA 0.250 45.382 45.100 0.054 0.000 0.887 291 G HN 0.398 nan 8.290 nan 0.000 0.444 292 S N 0.350 116.032 115.700 -0.031 0.000 2.442 292 S HA 0.157 4.627 4.470 -0.001 0.000 0.236 292 S C 1.793 176.231 174.600 -0.271 0.000 1.007 292 S CA 1.622 59.711 58.200 -0.184 0.000 0.965 292 S CB -0.437 62.575 63.200 -0.313 0.000 0.773 292 S HN 0.363 nan 8.310 nan 0.000 0.504 293 F N 1.984 121.935 119.950 0.002 0.000 2.765 293 F HA 0.412 4.938 4.527 -0.001 0.000 0.302 293 F C 1.919 177.723 175.800 0.007 0.000 1.111 293 F CA -0.034 57.967 58.000 0.002 0.000 1.359 293 F CB -0.293 38.704 39.000 -0.005 0.000 1.097 293 F HN 0.375 nan 8.300 nan 0.000 0.577 294 G N 1.097 109.977 108.800 0.133 0.000 2.160 294 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.251 294 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.251 294 G C -0.101 174.855 174.900 0.093 0.000 1.008 294 G CA 0.080 45.233 45.100 0.088 0.000 0.724 294 G HN 0.312 nan 8.290 nan 0.000 0.514 295 L N 0.083 121.374 121.223 0.114 0.000 2.323 295 L HA 0.872 5.212 4.340 -0.001 0.000 0.265 295 L C 0.516 177.420 176.870 0.057 0.000 1.012 295 L CA -0.406 54.481 54.840 0.079 0.000 0.820 295 L CB 2.329 44.432 42.059 0.073 0.000 1.334 295 L HN 0.445 nan 8.230 nan 0.000 0.427 296 S N -0.796 114.924 115.700 0.034 0.000 2.671 296 S HA 0.528 4.997 4.470 -0.001 0.000 0.277 296 S C -1.246 173.367 174.600 0.022 0.000 1.165 296 S CA -0.808 57.404 58.200 0.019 0.000 0.822 296 S CB 1.618 64.820 63.200 0.003 0.000 1.150 296 S HN 0.524 nan 8.310 nan 0.000 0.479 297 c N 2.878 121.496 118.600 0.030 0.000 2.265 297 c HA 0.542 5.112 4.570 -0.001 0.000 0.332 297 c C -1.184 172.895 174.090 -0.018 0.000 1.248 297 c CA -1.148 55.238 56.329 0.095 0.000 1.727 297 c CB 0.698 43.298 42.510 0.150 0.000 2.348 297 c HN 0.755 nan 8.230 nan 0.000 0.519 298 P HA -0.097 nan 4.420 nan 0.000 0.221 298 P C 1.126 178.117 177.300 -0.515 0.000 1.145 298 P CA 1.355 64.149 63.100 -0.511 0.000 0.795 298 P CB 0.047 31.219 31.700 -0.880 0.000 0.775 299 W N -0.088 121.188 121.300 -0.039 0.000 3.256 299 W HA 0.199 4.858 4.660 -0.001 0.000 0.269 299 W C 0.683 177.174 176.519 -0.047 0.000 1.310 299 W CA 0.088 57.405 57.345 -0.046 0.000 1.673 299 W CB -0.456 28.967 29.460 -0.062 0.000 1.115 299 W HN 0.119 nan 8.180 nan 0.000 0.686 300 K N -1.157 119.298 120.400 0.092 0.000 3.512 300 K HA -0.173 4.146 4.320 -0.001 0.000 0.309 300 K C -0.328 176.293 176.600 0.036 0.000 1.350 300 K CA 0.565 56.874 56.287 0.035 0.000 0.960 300 K CB -1.838 30.671 32.500 0.015 0.000 1.290 300 K HN -0.124 nan 8.250 nan 0.000 0.454 301 V N 2.154 122.102 119.914 0.056 0.000 2.334 301 V HA 0.301 4.421 4.120 -0.001 0.000 0.281 301 V C -1.852 174.226 176.094 -0.026 0.000 1.016 301 V CA -1.544 60.759 62.300 0.004 0.000 0.832 301 V CB 1.216 33.033 31.823 -0.011 0.000 0.999 301 V HN -0.037 nan 8.190 nan 0.000 0.439 302 P HA 0.381 nan 4.420 nan 0.000 0.276 302 P C -2.797 174.413 177.300 -0.150 0.000 1.252 302 P CA -2.027 61.031 63.100 -0.069 0.000 0.802 302 P CB 0.139 31.813 31.700 -0.043 0.000 1.035 303 P HA 0.212 nan 4.420 nan 0.000 0.269 303 P C -0.256 176.939 177.300 -0.176 0.000 1.215 303 P CA 0.241 63.134 63.100 -0.344 0.000 0.780 303 P CB 0.555 31.999 31.700 -0.426 0.000 0.898 304 R N 0.569 120.971 120.500 -0.164 0.000 2.599 304 R HA 0.381 4.720 4.340 -0.001 0.000 0.295 304 R C -0.313 176.045 176.300 0.096 0.000 0.963 304 R CA -0.653 55.426 56.100 -0.034 0.000 0.883 304 R CB 1.318 31.572 30.300 -0.076 0.000 1.171 304 R HN 0.370 nan 8.270 nan 0.000 0.450 305 T N 4.078 118.683 114.554 0.084 0.000 2.905 305 T HA 0.023 4.372 4.350 -0.001 0.000 0.299 305 T C 0.812 175.501 174.700 -0.018 0.000 1.024 305 T CA 0.144 62.267 62.100 0.038 0.000 1.151 305 T CB 0.128 68.999 68.868 0.005 0.000 0.987 305 T HN 0.204 nan 8.240 nan 0.000 0.535 306 I N 4.014 124.525 120.570 -0.097 0.000 2.496 306 I HA 0.249 4.418 4.170 -0.001 0.000 0.285 306 I C 0.984 177.049 176.117 -0.087 0.000 1.080 306 I CA 0.043 61.283 61.300 -0.099 0.000 1.404 306 I CB 0.215 38.116 38.000 -0.165 0.000 1.403 306 I HN 0.766 nan 8.210 nan 0.000 0.539 307 S N 3.695 119.355 115.700 -0.066 0.000 2.661 307 S HA 0.434 4.903 4.470 -0.001 0.000 0.285 307 S C 0.345 174.912 174.600 -0.055 0.000 1.138 307 S CA -0.767 57.402 58.200 -0.051 0.000 0.855 307 S CB 2.180 65.357 63.200 -0.038 0.000 1.136 307 S HN 0.496 nan 8.310 nan 0.000 0.484 308 D N 0.633 121.010 120.400 -0.038 0.000 2.221 308 D HA -0.125 4.514 4.640 -0.001 0.000 0.204 308 D C 1.639 177.913 176.300 -0.044 0.000 0.982 308 D CA 1.435 55.414 54.000 -0.034 0.000 0.857 308 D CB -0.153 40.642 40.800 -0.009 0.000 0.934 308 D HN 0.751 nan 8.370 nan 0.000 0.475 309 Q N 0.334 120.112 119.800 -0.037 0.000 2.245 309 Q HA -0.108 4.231 4.340 -0.001 0.000 0.201 309 Q C 0.988 176.962 176.000 -0.043 0.000 0.955 309 Q CA 1.065 56.849 55.803 -0.033 0.000 0.870 309 Q CB 0.223 28.947 28.738 -0.024 0.000 0.945 309 Q HN 0.254 nan 8.270 nan 0.000 0.461 310 N N -1.423 117.243 118.700 -0.057 0.000 2.171 310 N HA -0.066 4.673 4.740 -0.001 0.000 0.212 310 N C 1.212 176.671 175.510 -0.085 0.000 1.184 310 N CA 0.362 53.378 53.050 -0.056 0.000 0.888 310 N CB -0.046 38.415 38.487 -0.043 0.000 1.038 310 N HN 0.053 nan 8.380 nan 0.000 0.517 311 V N 0.482 120.310 119.914 -0.144 0.000 2.427 311 V HA -0.039 4.081 4.120 -0.001 0.000 0.248 311 V C 2.240 178.129 176.094 -0.342 0.000 1.051 311 V CA 1.957 64.122 62.300 -0.225 0.000 1.048 311 V CB -0.844 30.822 31.823 -0.262 0.000 0.666 311 V HN 0.418 nan 8.190 nan 0.000 0.456 312 A N 0.023 122.616 122.820 -0.378 0.000 1.877 312 A HA -0.090 4.230 4.320 -0.001 0.000 0.216 312 A C 2.452 180.074 177.584 0.062 0.000 1.186 312 A CA 2.300 54.244 52.037 -0.155 0.000 0.620 312 A CB -1.124 17.882 19.000 0.010 0.000 0.822 312 A HN 0.822 nan 8.150 nan 0.000 0.443 313 A N -0.566 122.265 122.820 0.019 0.000 1.902 313 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 313 A C 2.254 179.873 177.584 0.058 0.000 1.181 313 A CA 1.464 53.528 52.037 0.047 0.000 0.623 313 A CB -0.449 18.561 19.000 0.017 0.000 0.818 313 A HN 0.435 nan 8.150 nan 0.000 0.443 314 R N 0.006 120.531 120.500 0.041 0.000 2.075 314 R HA -0.051 4.289 4.340 -0.001 0.000 0.232 314 R C 2.456 178.797 176.300 0.068 0.000 1.126 314 R CA 1.533 57.707 56.100 0.125 0.000 0.963 314 R CB -0.993 29.378 30.300 0.119 0.000 0.858 314 R HN 0.537 nan 8.270 nan 0.000 0.435 315 S N 1.420 117.110 115.700 -0.017 0.000 2.356 315 S HA -0.149 4.321 4.470 -0.001 0.000 0.223 315 S C 1.379 175.862 174.600 -0.195 0.000 1.032 315 S CA 1.573 59.670 58.200 -0.171 0.000 1.005 315 S CB -0.323 62.894 63.200 0.028 0.000 0.867 315 S HN 0.274 nan 8.310 nan 0.000 0.449 316 D N 1.401 121.883 120.400 0.136 0.000 2.160 316 D HA -0.135 4.505 4.640 -0.001 0.000 0.189 316 D C 1.870 178.173 176.300 0.005 0.000 1.003 316 D CA 1.125 55.250 54.000 0.209 0.000 0.846 316 D CB -0.397 40.531 40.800 0.212 0.000 0.949 316 D HN 0.217 nan 8.370 nan 0.000 0.446 317 L N -0.361 120.845 121.223 -0.028 0.000 2.042 317 L HA -0.172 4.168 4.340 -0.001 0.000 0.210 317 L C 2.273 178.971 176.870 -0.286 0.000 1.076 317 L CA 0.580 55.382 54.840 -0.064 0.000 0.749 317 L CB -0.222 41.872 42.059 0.060 0.000 0.893 317 L HN 0.142 nan 8.230 nan 0.000 0.432 318 L N -1.118 119.763 121.223 -0.570 0.000 2.072 318 L HA -0.106 4.233 4.340 -0.001 0.000 0.205 318 L C 2.293 178.471 176.870 -1.153 0.000 1.079 318 L CA 1.500 55.661 54.840 -1.131 0.000 0.752 318 L CB -0.294 40.788 42.059 -1.627 0.000 0.906 318 L HN -0.085 nan 8.230 nan 0.000 0.436 319 V N -0.008 119.365 119.914 -0.902 0.000 2.407 319 V HA -0.294 3.826 4.120 -0.001 0.000 0.248 319 V C 2.285 178.215 176.094 -0.274 0.000 1.055 319 V CA 1.895 63.819 62.300 -0.627 0.000 1.049 319 V CB -0.767 30.706 31.823 -0.585 0.000 0.662 319 V HN 0.578 nan 8.190 nan 0.000 0.455 320 D N -0.742 119.559 120.400 -0.164 0.000 2.117 320 D HA -0.201 4.439 4.640 -0.001 0.000 0.197 320 D C 2.242 178.514 176.300 -0.046 0.000 0.987 320 D CA 1.152 55.162 54.000 0.016 0.000 0.829 320 D CB -0.003 40.863 40.800 0.110 0.000 0.961 320 D HN 0.292 nan 8.370 nan 0.000 0.460 321 Q N -0.467 119.237 119.800 -0.159 0.000 2.050 321 Q HA -0.144 4.195 4.340 -0.001 0.000 0.202 321 Q C 2.158 178.172 176.000 0.024 0.000 0.980 321 Q CA 0.994 56.729 55.803 -0.113 0.000 0.840 321 Q CB -0.612 28.000 28.738 -0.210 0.000 0.898 321 Q HN 0.551 nan 8.270 nan 0.000 0.424 322 W N 1.466 122.656 121.300 -0.182 0.000 2.335 322 W HA -0.119 4.541 4.660 -0.002 0.000 0.311 322 W C 2.107 178.503 176.519 -0.205 0.000 1.213 322 W CA 0.810 58.045 57.345 -0.182 0.000 1.274 322 W CB -0.701 28.622 29.460 -0.228 0.000 1.148 322 W HN 0.215 nan 8.180 nan 0.000 0.498 323 K N 0.087 120.436 120.400 -0.086 0.000 2.155 323 K HA -0.122 4.197 4.320 -0.001 0.000 0.203 323 K C 1.955 178.383 176.600 -0.287 0.000 1.052 323 K CA 1.126 57.201 56.287 -0.353 0.000 0.948 323 K CB -0.175 31.824 32.500 -0.834 0.000 0.728 323 K HN 0.067 nan 8.250 nan 0.000 0.448 324 K N 0.966 121.289 120.400 -0.128 0.000 2.025 324 K HA -0.154 4.166 4.320 -0.001 0.000 0.207 324 K C 2.092 178.755 176.600 0.105 0.000 1.049 324 K CA 1.234 57.576 56.287 0.091 0.000 0.933 324 K CB -0.017 32.553 32.500 0.117 0.000 0.714 324 K HN 0.006 nan 8.250 nan 0.000 0.438 325 K N 0.818 121.285 120.400 0.112 0.000 2.063 325 K HA -0.139 4.180 4.320 -0.001 0.000 0.208 325 K C 2.043 178.763 176.600 0.200 0.000 1.048 325 K CA 1.308 57.691 56.287 0.159 0.000 0.928 325 K CB -0.106 32.504 32.500 0.184 0.000 0.713 325 K HN 0.151 nan 8.250 nan 0.000 0.442 326 A N 1.208 124.128 122.820 0.168 0.000 2.070 326 A HA -0.139 4.180 4.320 -0.001 0.000 0.220 326 A C 1.693 179.444 177.584 0.278 0.000 1.159 326 A CA 1.300 53.475 52.037 0.229 0.000 0.656 326 A CB -0.321 18.777 19.000 0.164 0.000 0.800 326 A HN 0.317 nan 8.150 nan 0.000 0.453 327 E N 0.057 120.397 120.200 0.233 0.000 2.265 327 E HA -0.116 4.233 4.350 -0.001 0.000 0.196 327 E C 1.592 178.318 176.600 0.210 0.000 0.996 327 E CA 0.730 57.278 56.400 0.246 0.000 0.832 327 E CB -0.254 29.619 29.700 0.287 0.000 0.756 327 E HN 0.721 nan 8.360 nan 0.000 0.491 328 L N -0.584 120.720 121.223 0.135 0.000 2.591 328 L HA 0.040 4.379 4.340 -0.001 0.000 0.228 328 L C 0.212 176.875 176.870 -0.346 0.000 1.133 328 L CA 0.250 55.038 54.840 -0.086 0.000 0.880 328 L CB -0.057 41.828 42.059 -0.290 0.000 1.033 328 L HN -0.001 nan 8.230 nan 0.000 0.450 329 Y N -1.716 118.667 120.300 0.140 0.000 2.633 329 Y HA 0.374 4.923 4.550 -0.001 0.000 0.339 329 Y C 1.093 177.107 175.900 0.190 0.000 1.045 329 Y CA -0.980 57.221 58.100 0.168 0.000 1.098 329 Y CB 1.237 39.805 38.460 0.180 0.000 1.296 329 Y HN -0.287 nan 8.280 nan 0.000 0.494 330 R N -0.542 120.197 120.500 0.398 0.000 2.254 330 R HA 0.088 4.428 4.340 -0.001 0.000 0.195 330 R C 0.330 176.759 176.300 0.215 0.000 0.957 330 R CA 0.783 57.028 56.100 0.241 0.000 1.024 330 R CB 0.274 30.656 30.300 0.137 0.000 0.952 330 R HN 0.755 nan 8.270 nan 0.000 0.484 331 T N -0.920 113.803 114.554 0.282 0.000 2.922 331 T HA 0.107 4.456 4.350 -0.001 0.000 0.281 331 T C 0.596 175.427 174.700 0.218 0.000 1.005 331 T CA -0.950 61.279 62.100 0.215 0.000 0.982 331 T CB 1.233 70.212 68.868 0.185 0.000 1.158 331 T HN 0.072 nan 8.240 nan 0.000 0.566 332 N N 0.091 118.888 118.700 0.161 0.000 2.346 332 N HA 0.143 4.882 4.740 -0.001 0.000 0.225 332 N C -0.730 174.787 175.510 0.012 0.000 1.144 332 N CA -0.364 52.745 53.050 0.099 0.000 0.837 332 N CB -0.160 38.264 38.487 -0.106 0.000 1.069 332 N HN 0.377 nan 8.380 nan 0.000 0.487 333 V N 1.239 121.185 119.914 0.055 0.000 2.444 333 V HA 0.421 4.541 4.120 -0.001 0.000 0.294 333 V C -0.703 175.484 176.094 0.155 0.000 1.022 333 V CA -0.965 61.367 62.300 0.054 0.000 0.850 333 V CB 1.584 33.412 31.823 0.008 0.000 0.992 333 V HN 0.182 nan 8.190 nan 0.000 0.426 334 L N 5.744 127.003 121.223 0.061 0.000 2.341 334 L HA 0.698 5.038 4.340 -0.001 0.000 0.278 334 L C -0.907 175.841 176.870 -0.203 0.000 1.005 334 L CA -0.500 54.293 54.840 -0.079 0.000 0.818 334 L CB 1.693 43.608 42.059 -0.240 0.000 1.259 334 L HN 0.628 nan 8.230 nan 0.000 0.418 335 L N 6.395 127.292 121.223 -0.542 0.000 2.264 335 L HA 0.555 4.894 4.340 -0.001 0.000 0.289 335 L C -1.035 175.550 176.870 -0.476 0.000 1.044 335 L CA 0.119 54.478 54.840 -0.803 0.000 0.807 335 L CB 0.740 41.834 42.059 -1.608 0.000 1.192 335 L HN 0.432 nan 8.230 nan 0.000 0.425 336 I N 7.533 127.902 120.570 -0.334 0.000 2.502 336 I HA 0.343 4.512 4.170 -0.001 0.000 0.276 336 I C -2.280 173.813 176.117 -0.040 0.000 1.057 336 I CA -2.036 59.160 61.300 -0.173 0.000 1.163 336 I CB 1.060 38.932 38.000 -0.213 0.000 1.288 336 I HN 0.418 nan 8.210 nan 0.000 0.479 337 P HA 0.159 nan 4.420 nan 0.000 0.269 337 P C -0.436 177.041 177.300 0.295 0.000 1.209 337 P CA -0.255 62.975 63.100 0.216 0.000 0.776 337 P CB 0.864 32.731 31.700 0.279 0.000 0.876 338 L N 2.918 124.358 121.223 0.361 0.000 2.462 338 L HA 0.754 5.093 4.340 -0.001 0.000 0.255 338 L C -0.092 176.864 176.870 0.144 0.000 1.076 338 L CA 0.392 55.371 54.840 0.231 0.000 0.920 338 L CB 0.410 42.534 42.059 0.108 0.000 1.214 338 L HN 0.619 nan 8.230 nan 0.000 0.472 339 G N 1.590 110.368 108.800 -0.037 0.000 2.342 339 G HA2 0.475 4.434 3.960 -0.001 0.000 0.297 339 G HA3 0.475 4.434 3.960 -0.001 0.000 0.297 339 G C -2.188 172.619 174.900 -0.156 0.000 1.313 339 G CA -0.228 44.610 45.100 -0.437 0.000 0.830 339 G HN 0.370 nan 8.290 nan 0.000 0.506 340 D N -1.791 118.569 120.400 -0.067 0.000 2.879 340 D HA 0.303 4.942 4.640 -0.001 0.000 0.346 340 D C -1.534 174.910 176.300 0.239 0.000 1.390 340 D CA -0.442 53.697 54.000 0.231 0.000 0.838 340 D CB 1.358 42.240 40.800 0.138 0.000 1.416 340 D HN 0.218 nan 8.370 nan 0.000 0.493 341 D N 0.397 120.993 120.400 0.328 0.000 2.417 341 D HA 0.229 4.868 4.640 -0.001 0.000 0.250 341 D C 0.206 176.676 176.300 0.283 0.000 1.166 341 D CA 0.446 54.632 54.000 0.310 0.000 0.881 341 D CB -0.244 40.839 40.800 0.471 0.000 1.164 341 D HN 0.343 nan 8.370 nan 0.000 0.467 342 F N 0.218 120.235 119.950 0.112 0.000 3.079 342 F HA -0.307 4.219 4.527 -0.001 0.000 0.274 342 F C 1.089 176.932 175.800 0.072 0.000 0.940 342 F CA 0.599 58.643 58.000 0.074 0.000 0.932 342 F CB -0.958 38.077 39.000 0.060 0.000 0.891 342 F HN 0.221 nan 8.300 nan 0.000 0.722 343 R N -0.446 120.140 120.500 0.143 0.000 2.649 343 R HA 0.458 4.797 4.340 -0.001 0.000 0.270 343 R C 0.693 177.017 176.300 0.039 0.000 1.105 343 R CA -0.680 55.389 56.100 -0.052 0.000 1.193 343 R CB -0.079 30.076 30.300 -0.242 0.000 1.120 343 R HN 0.195 nan 8.270 nan 0.000 0.561 344 F N -0.799 118.983 119.950 -0.281 0.000 3.071 344 F HA -0.278 4.249 4.527 -0.001 0.000 0.295 344 F C 1.331 177.075 175.800 -0.093 0.000 0.919 344 F CA 0.961 58.587 58.000 -0.624 0.000 1.050 344 F CB -1.163 37.187 39.000 -1.084 0.000 1.040 344 F HN 0.607 nan 8.300 nan 0.000 0.692 345 K N 0.181 120.634 120.400 0.088 0.000 2.019 345 K HA 0.056 4.376 4.320 -0.001 0.000 0.209 345 K C 0.756 177.511 176.600 0.258 0.000 1.032 345 K CA 0.738 57.152 56.287 0.212 0.000 0.947 345 K CB 0.144 32.733 32.500 0.148 0.000 0.757 345 K HN 0.404 nan 8.250 nan 0.000 0.444 346 Q N 0.775 120.685 119.800 0.183 0.000 2.340 346 Q HA 0.053 4.392 4.340 -0.001 0.000 0.249 346 Q C 0.535 176.714 176.000 0.299 0.000 0.957 346 Q CA -0.061 55.870 55.803 0.213 0.000 0.882 346 Q CB 0.922 29.794 28.738 0.224 0.000 1.235 346 Q HN 0.320 nan 8.270 nan 0.000 0.439 347 N N 0.104 118.970 118.700 0.276 0.000 2.149 347 N HA -0.218 4.521 4.740 -0.001 0.000 0.188 347 N C 1.593 177.252 175.510 0.248 0.000 1.019 347 N CA 1.813 55.050 53.050 0.311 0.000 0.857 347 N CB -0.061 38.636 38.487 0.350 0.000 0.997 347 N HN 0.708 nan 8.380 nan 0.000 0.426 348 T N -1.257 113.444 114.554 0.245 0.000 2.833 348 T HA -0.179 4.170 4.350 -0.001 0.000 0.269 348 T C 1.659 176.544 174.700 0.309 0.000 1.054 348 T CA 1.141 63.402 62.100 0.268 0.000 1.135 348 T CB -0.221 68.793 68.868 0.244 0.000 0.869 348 T HN 0.318 nan 8.240 nan 0.000 0.466 349 E N -0.223 120.112 120.200 0.226 0.000 2.046 349 E HA -0.099 4.251 4.350 -0.001 0.000 0.190 349 E C 1.858 178.377 176.600 -0.135 0.000 0.982 349 E CA 0.765 57.089 56.400 -0.127 0.000 0.800 349 E CB -0.264 29.205 29.700 -0.384 0.000 0.756 349 E HN 0.704 nan 8.360 nan 0.000 0.449 350 W N 1.837 123.050 121.300 -0.144 0.000 2.318 350 W HA -0.214 4.446 4.660 -0.001 0.000 0.313 350 W C 2.152 178.619 176.519 -0.088 0.000 1.221 350 W CA 1.390 58.629 57.345 -0.178 0.000 1.266 350 W CB -0.354 28.622 29.460 -0.806 0.000 1.150 350 W HN 0.195 nan 8.180 nan 0.000 0.496 351 D N -0.567 119.941 120.400 0.181 0.000 2.097 351 D HA -0.173 4.466 4.640 -0.001 0.000 0.195 351 D C 2.288 178.664 176.300 0.126 0.000 0.989 351 D CA 1.507 55.617 54.000 0.182 0.000 0.827 351 D CB -1.015 39.897 40.800 0.187 0.000 0.966 351 D HN 0.028 nan 8.370 nan 0.000 0.456 352 V N 0.934 120.915 119.914 0.111 0.000 2.407 352 V HA -0.217 3.902 4.120 -0.001 0.000 0.248 352 V C 2.241 178.361 176.094 0.043 0.000 1.055 352 V CA 1.595 63.940 62.300 0.076 0.000 1.049 352 V CB -0.081 31.834 31.823 0.152 0.000 0.662 352 V HN 0.154 nan 8.190 nan 0.000 0.455 353 Q N -0.332 119.536 119.800 0.113 0.000 2.020 353 Q HA -0.189 4.150 4.340 -0.001 0.000 0.198 353 Q C 2.352 178.545 176.000 0.321 0.000 0.974 353 Q CA 1.891 57.858 55.803 0.273 0.000 0.829 353 Q CB -0.521 28.362 28.738 0.241 0.000 0.894 353 Q HN 0.609 nan 8.270 nan 0.000 0.433 354 R N 0.474 121.126 120.500 0.254 0.000 2.083 354 R HA -0.117 4.222 4.340 -0.001 0.000 0.237 354 R C 2.236 178.682 176.300 0.244 0.000 1.137 354 R CA 1.474 57.757 56.100 0.304 0.000 0.951 354 R CB -0.099 30.334 30.300 0.221 0.000 0.851 354 R HN 0.070 nan 8.270 nan 0.000 0.434 355 V N 1.870 121.846 119.914 0.103 0.000 2.358 355 V HA -0.220 3.899 4.120 -0.001 0.000 0.246 355 V C 2.002 178.026 176.094 -0.116 0.000 1.047 355 V CA 1.803 64.116 62.300 0.021 0.000 1.035 355 V CB -0.580 31.245 31.823 0.004 0.000 0.658 355 V HN 0.438 nan 8.190 nan 0.000 0.452 356 N N -0.642 117.878 118.700 -0.300 0.000 2.142 356 N HA -0.164 4.575 4.740 -0.001 0.000 0.186 356 N C 1.866 177.053 175.510 -0.539 0.000 1.023 356 N CA 1.632 54.293 53.050 -0.648 0.000 0.852 356 N CB -0.310 37.184 38.487 -1.654 0.000 0.998 356 N HN 0.512 nan 8.380 nan 0.000 0.424 357 Y N 1.966 122.069 120.300 -0.329 0.000 2.242 357 Y HA -0.090 4.459 4.550 -0.001 0.000 0.291 357 Y C 2.376 177.765 175.900 -0.851 0.000 1.137 357 Y CA 1.055 58.835 58.100 -0.533 0.000 1.181 357 Y CB -0.148 38.080 38.460 -0.386 0.000 0.989 357 Y HN 0.131 nan 8.280 nan 0.000 0.527 358 E N -0.242 119.819 120.200 -0.231 0.000 2.118 358 E HA -0.235 4.114 4.350 -0.001 0.000 0.195 358 E C 2.212 178.759 176.600 -0.089 0.000 0.992 358 E CA 1.094 57.441 56.400 -0.089 0.000 0.804 358 E CB -0.148 29.621 29.700 0.115 0.000 0.741 358 E HN 0.437 nan 8.360 nan 0.000 0.458 359 R N 0.169 120.593 120.500 -0.126 0.000 2.115 359 R HA -0.053 4.286 4.340 -0.001 0.000 0.226 359 R C 2.362 178.624 176.300 -0.064 0.000 1.100 359 R CA 0.644 56.699 56.100 -0.076 0.000 0.980 359 R CB -0.101 30.134 30.300 -0.108 0.000 0.875 359 R HN 0.171 nan 8.270 nan 0.000 0.445 360 L N -0.547 120.569 121.223 -0.177 0.000 2.027 360 L HA -0.140 4.200 4.340 -0.001 0.000 0.206 360 L C 2.004 178.905 176.870 0.052 0.000 1.074 360 L CA 1.092 55.860 54.840 -0.120 0.000 0.745 360 L CB -0.391 41.510 42.059 -0.263 0.000 0.898 360 L HN 0.065 nan 8.230 nan 0.000 0.433 361 F N 0.326 120.281 119.950 0.009 0.000 2.134 361 F HA -0.214 4.313 4.527 -0.001 0.000 0.299 361 F C 2.648 178.445 175.800 -0.004 0.000 1.097 361 F CA 1.261 59.252 58.000 -0.015 0.000 1.264 361 F CB -0.970 37.979 39.000 -0.085 0.000 1.001 361 F HN 0.200 nan 8.300 nan 0.000 0.479 362 E N -0.710 119.610 120.200 0.200 0.000 2.077 362 E HA -0.289 4.060 4.350 -0.001 0.000 0.193 362 E C 2.217 178.896 176.600 0.132 0.000 0.989 362 E CA 1.485 57.966 56.400 0.136 0.000 0.800 362 E CB -0.241 29.524 29.700 0.108 0.000 0.746 362 E HN 0.498 nan 8.360 nan 0.000 0.452 363 H N 0.277 119.388 119.070 0.069 0.000 2.293 363 H HA -0.071 4.484 4.556 -0.001 0.000 0.300 363 H C 2.074 177.480 175.328 0.131 0.000 1.082 363 H CA 2.227 58.330 56.048 0.092 0.000 1.308 363 H CB -0.199 29.613 29.762 0.083 0.000 1.375 363 H HN 0.141 nan 8.280 nan 0.000 0.495 364 I N 0.399 121.017 120.570 0.080 0.000 2.179 364 I HA -0.287 3.882 4.170 -0.001 0.000 0.242 364 I C 1.680 177.807 176.117 0.017 0.000 1.088 364 I CA 1.358 62.639 61.300 -0.031 0.000 1.357 364 I CB -0.285 37.620 38.000 -0.158 0.000 1.051 364 I HN 0.365 nan 8.210 nan 0.000 0.409 365 N N 0.275 118.982 118.700 0.012 0.000 2.453 365 N HA -0.110 4.629 4.740 -0.001 0.000 0.183 365 N C 1.836 177.328 175.510 -0.030 0.000 1.041 365 N CA 1.464 54.502 53.050 -0.021 0.000 0.900 365 N CB -0.252 38.216 38.487 -0.032 0.000 0.961 365 N HN 0.412 nan 8.380 nan 0.000 0.443 366 S N -0.961 114.717 115.700 -0.038 0.000 2.517 366 S HA 0.131 4.600 4.470 -0.001 0.000 0.214 366 S C 0.595 175.144 174.600 -0.084 0.000 0.991 366 S CA -0.159 58.011 58.200 -0.049 0.000 0.906 366 S CB 0.276 63.459 63.200 -0.028 0.000 0.789 366 S HN -0.013 nan 8.310 nan 0.000 0.513 367 Q N 1.366 121.087 119.800 -0.131 0.000 2.456 367 Q HA 0.531 4.871 4.340 -0.001 0.000 0.234 367 Q C 0.988 176.845 176.000 -0.237 0.000 1.061 367 Q CA 0.135 55.814 55.803 -0.207 0.000 0.896 367 Q CB 1.210 29.700 28.738 -0.412 0.000 1.233 367 Q HN 0.461 nan 8.270 nan 0.000 0.506 368 A N 2.762 125.513 122.820 -0.115 0.000 1.986 368 A HA -0.281 4.038 4.320 -0.001 0.000 0.220 368 A C 1.649 179.175 177.584 -0.097 0.000 1.171 368 A CA 2.239 54.229 52.037 -0.078 0.000 0.640 368 A CB -0.761 18.220 19.000 -0.031 0.000 0.811 368 A HN 0.904 nan 8.150 nan 0.000 0.451 369 H N -3.240 115.748 119.070 -0.137 0.000 2.457 369 H HA -0.089 4.466 4.556 -0.001 0.000 0.297 369 H C 1.407 176.666 175.328 -0.115 0.000 1.092 369 H CA 1.650 57.601 56.048 -0.161 0.000 1.309 369 H CB -0.623 28.984 29.762 -0.259 0.000 1.382 369 H HN 0.435 nan 8.280 nan 0.000 0.535 370 F N 0.808 120.486 119.950 -0.454 0.000 2.293 370 F HA 0.014 4.541 4.527 -0.001 0.000 0.297 370 F C 0.785 176.520 175.800 -0.109 0.000 1.089 370 F CA 0.726 58.583 58.000 -0.240 0.000 1.377 370 F CB -0.283 38.538 39.000 -0.298 0.000 1.051 370 F HN 0.168 nan 8.300 nan 0.000 0.511 371 N N 0.538 119.281 118.700 0.070 0.000 2.725 371 N HA -0.164 4.575 4.740 -0.001 0.000 0.251 371 N C -1.041 174.443 175.510 -0.043 0.000 1.031 371 N CA 0.452 53.524 53.050 0.036 0.000 0.720 371 N CB -1.558 37.002 38.487 0.121 0.000 0.930 371 N HN 0.043 nan 8.380 nan 0.000 0.543 372 V N 0.625 120.510 119.914 -0.048 0.000 2.735 372 V HA 0.397 4.516 4.120 -0.001 0.000 0.310 372 V C 0.157 176.169 176.094 -0.137 0.000 1.061 372 V CA -0.667 61.556 62.300 -0.127 0.000 0.913 372 V CB 2.454 34.225 31.823 -0.086 0.000 1.005 372 V HN 0.184 nan 8.190 nan 0.000 0.428 373 Q N 3.155 122.822 119.800 -0.221 0.000 2.363 373 Q HA 0.748 5.087 4.340 -0.001 0.000 0.265 373 Q C -0.766 174.984 176.000 -0.417 0.000 1.032 373 Q CA -0.133 55.513 55.803 -0.263 0.000 0.746 373 Q CB 1.578 30.166 28.738 -0.251 0.000 1.237 373 Q HN 0.989 nan 8.270 nan 0.000 0.475 374 A N 4.371 126.932 122.820 -0.432 0.000 2.337 374 A HA 0.896 5.215 4.320 -0.001 0.000 0.329 374 A C -1.173 175.726 177.584 -1.142 0.000 1.146 374 A CA -0.514 51.097 52.037 -0.709 0.000 0.800 374 A CB 1.160 19.933 19.000 -0.378 0.000 1.220 374 A HN 0.766 nan 8.150 nan 0.000 0.472 375 Q N 1.177 120.190 119.800 -1.310 0.000 2.522 375 Q HA 0.438 4.777 4.340 -0.001 0.000 0.285 375 Q C -1.683 173.848 176.000 -0.782 0.000 0.982 375 Q CA -0.703 54.364 55.803 -1.226 0.000 0.805 375 Q CB 0.530 28.927 28.738 -0.570 0.000 1.457 375 Q HN 0.381 nan 8.270 nan 0.000 0.394 376 F N 0.673 120.496 119.950 -0.211 0.000 2.572 376 F HA 0.581 5.108 4.527 -0.001 0.000 0.370 376 F C 1.247 177.077 175.800 0.050 0.000 1.103 376 F CA 1.443 59.465 58.000 0.036 0.000 1.286 376 F CB 0.745 39.830 39.000 0.141 0.000 1.105 376 F HN 0.737 nan 8.300 nan 0.000 0.583 377 G N 0.546 109.519 108.800 0.288 0.000 2.766 377 G HA2 0.628 4.587 3.960 -0.001 0.000 0.288 377 G HA3 0.628 4.587 3.960 -0.001 0.000 0.288 377 G C -1.008 173.897 174.900 0.009 0.000 1.408 377 G CA -0.635 44.584 45.100 0.198 0.000 0.852 377 G HN 0.708 nan 8.290 nan 0.000 0.487 378 T N -1.945 112.539 114.554 -0.116 0.000 2.937 378 T HA 0.462 4.811 4.350 -0.001 0.000 0.283 378 T C 1.271 175.814 174.700 -0.261 0.000 1.012 378 T CA -0.481 61.505 62.100 -0.189 0.000 0.997 378 T CB 1.482 70.253 68.868 -0.162 0.000 1.136 378 T HN 0.517 nan 8.240 nan 0.000 0.551 379 L N 0.519 121.585 121.223 -0.262 0.000 2.056 379 L HA 0.043 4.382 4.340 -0.001 0.000 0.207 379 L C 2.768 179.590 176.870 -0.081 0.000 1.078 379 L CA 1.965 56.675 54.840 -0.217 0.000 0.749 379 L CB -1.173 40.795 42.059 -0.151 0.000 0.901 379 L HN 0.896 nan 8.230 nan 0.000 0.433 380 Q N -0.042 119.739 119.800 -0.030 0.000 2.124 380 Q HA -0.225 4.114 4.340 -0.001 0.000 0.202 380 Q C 2.084 178.017 176.000 -0.112 0.000 0.977 380 Q CA 2.026 57.846 55.803 0.028 0.000 0.850 380 Q CB -0.173 28.556 28.738 -0.015 0.000 0.901 380 Q HN 0.632 nan 8.270 nan 0.000 0.429 381 E N -1.187 118.854 120.200 -0.266 0.000 2.077 381 E HA -0.224 4.125 4.350 -0.001 0.000 0.193 381 E C 1.721 177.851 176.600 -0.783 0.000 0.989 381 E CA 1.175 57.288 56.400 -0.478 0.000 0.800 381 E CB -0.318 29.035 29.700 -0.578 0.000 0.746 381 E HN 0.476 nan 8.360 nan 0.000 0.452 382 Y N 0.643 120.377 120.300 -0.943 0.000 2.097 382 Y HA -0.281 4.268 4.550 -0.001 0.000 0.282 382 Y C 1.897 177.482 175.900 -0.524 0.000 1.152 382 Y CA 1.657 59.238 58.100 -0.864 0.000 1.136 382 Y CB -0.478 37.514 38.460 -0.779 0.000 0.975 382 Y HN -0.061 nan 8.280 nan 0.000 0.498 383 F N 0.898 120.597 119.950 -0.418 0.000 2.171 383 F HA -0.182 4.344 4.527 -0.001 0.000 0.300 383 F C 2.255 177.829 175.800 -0.377 0.000 1.090 383 F CA 1.732 59.463 58.000 -0.448 0.000 1.293 383 F CB -0.843 38.087 39.000 -0.118 0.000 1.013 383 F HN 0.103 nan 8.300 nan 0.000 0.486 384 D N 0.064 120.415 120.400 -0.081 0.000 2.123 384 D HA -0.169 4.470 4.640 -0.001 0.000 0.196 384 D C 2.354 178.578 176.300 -0.127 0.000 0.992 384 D CA 1.534 55.493 54.000 -0.068 0.000 0.833 384 D CB -0.593 40.156 40.800 -0.085 0.000 0.954 384 D HN 0.252 nan 8.370 nan 0.000 0.455 385 A N 0.476 123.159 122.820 -0.228 0.000 1.930 385 A HA -0.087 4.232 4.320 -0.001 0.000 0.217 385 A C 2.528 179.990 177.584 -0.203 0.000 1.175 385 A CA 0.874 52.822 52.037 -0.148 0.000 0.627 385 A CB -0.615 18.372 19.000 -0.022 0.000 0.815 385 A HN 0.133 nan 8.150 nan 0.000 0.443 386 V N -0.098 119.557 119.914 -0.433 0.000 2.343 386 V HA -0.252 3.867 4.120 -0.001 0.000 0.247 386 V C 2.400 178.310 176.094 -0.308 0.000 1.051 386 V CA 2.112 64.153 62.300 -0.430 0.000 1.036 386 V CB -0.993 30.390 31.823 -0.733 0.000 0.654 386 V HN 0.653 nan 8.190 nan 0.000 0.451 387 H N -0.375 118.581 119.070 -0.190 0.000 2.462 387 H HA -0.051 4.505 4.556 -0.001 0.000 0.292 387 H C 2.397 177.688 175.328 -0.061 0.000 1.049 387 H CA 1.206 57.172 56.048 -0.136 0.000 1.334 387 H CB -0.024 29.617 29.762 -0.200 0.000 1.404 387 H HN 0.552 nan 8.280 nan 0.000 0.544 388 Q N 0.358 120.175 119.800 0.029 0.000 2.084 388 Q HA -0.063 4.276 4.340 -0.001 0.000 0.202 388 Q C 2.561 178.578 176.000 0.028 0.000 0.978 388 Q CA 1.336 57.152 55.803 0.021 0.000 0.844 388 Q CB 0.004 28.744 28.738 0.003 0.000 0.898 388 Q HN 0.399 nan 8.270 nan 0.000 0.426 389 A N 1.047 123.879 122.820 0.019 0.000 1.902 389 A HA -0.264 4.055 4.320 -0.001 0.000 0.217 389 A C 1.948 179.559 177.584 0.046 0.000 1.181 389 A CA 1.614 53.674 52.037 0.040 0.000 0.623 389 A CB -0.565 18.463 19.000 0.046 0.000 0.818 389 A HN 0.440 nan 8.150 nan 0.000 0.443 390 E N -0.215 120.027 120.200 0.070 0.000 2.058 390 E HA -0.231 4.119 4.350 -0.001 0.000 0.194 390 E C 2.240 178.873 176.600 0.055 0.000 0.997 390 E CA 1.229 57.674 56.400 0.075 0.000 0.801 390 E CB -0.142 29.707 29.700 0.247 0.000 0.746 390 E HN 0.578 nan 8.360 nan 0.000 0.450 391 R N -0.308 120.230 120.500 0.063 0.000 2.152 391 R HA -0.052 4.287 4.340 -0.001 0.000 0.232 391 R C 2.114 178.430 176.300 0.027 0.000 1.117 391 R CA 0.841 56.965 56.100 0.040 0.000 0.981 391 R CB -0.140 30.180 30.300 0.033 0.000 0.870 391 R HN 0.132 nan 8.270 nan 0.000 0.451 392 A N 0.159 122.996 122.820 0.028 0.000 2.235 392 A HA 0.164 4.483 4.320 -0.001 0.000 0.208 392 A C 1.379 178.974 177.584 0.018 0.000 1.172 392 A CA 0.831 52.884 52.037 0.025 0.000 0.786 392 A CB -0.156 18.866 19.000 0.036 0.000 0.804 392 A HN 0.452 nan 8.150 nan 0.000 0.479 393 G N -1.171 107.635 108.800 0.009 0.000 2.143 393 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.249 393 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.249 393 G C 0.759 175.649 174.900 -0.016 0.000 0.981 393 G CA 0.615 45.712 45.100 -0.006 0.000 0.665 393 G HN 0.546 nan 8.290 nan 0.000 0.528 394 Q N -0.483 119.314 119.800 -0.006 0.000 2.311 394 Q HA 0.501 4.840 4.340 -0.001 0.000 0.203 394 Q C 1.076 177.050 176.000 -0.043 0.000 0.954 394 Q CA 1.399 57.204 55.803 0.004 0.000 0.885 394 Q CB 0.037 28.812 28.738 0.061 0.000 0.963 394 Q HN 1.326 nan 8.270 nan 0.000 0.471 395 A N 0.232 122.980 122.820 -0.119 0.000 2.589 395 A HA 0.499 4.818 4.320 -0.001 0.000 0.296 395 A C -1.684 175.665 177.584 -0.393 0.000 1.062 395 A CA -0.672 51.199 52.037 -0.276 0.000 0.686 395 A CB 1.696 20.460 19.000 -0.393 0.000 1.282 395 A HN 0.182 nan 8.150 nan 0.000 0.404 396 E N 0.771 120.731 120.200 -0.400 0.000 2.238 396 E HA 0.680 5.029 4.350 -0.001 0.000 0.267 396 E C -1.730 174.662 176.600 -0.347 0.000 0.887 396 E CA -0.478 55.745 56.400 -0.295 0.000 0.769 396 E CB 1.169 30.815 29.700 -0.091 0.000 1.187 396 E HN 0.445 nan 8.360 nan 0.000 0.416 397 F N 3.718 123.773 119.950 0.174 0.000 2.450 397 F HA 0.421 4.948 4.527 -0.001 0.000 0.332 397 F C -1.737 174.164 175.800 0.168 0.000 1.093 397 F CA -2.110 56.018 58.000 0.212 0.000 1.003 397 F CB 0.935 40.142 39.000 0.346 0.000 1.151 397 F HN 0.300 nan 8.300 nan 0.000 0.474 398 P HA 0.182 nan 4.420 nan 0.000 0.274 398 P C -0.603 176.836 177.300 0.231 0.000 1.237 398 P CA -0.381 62.850 63.100 0.218 0.000 0.793 398 P CB 0.886 32.681 31.700 0.159 0.000 0.977 399 T N -0.593 114.049 114.554 0.147 0.000 2.907 399 T HA 0.679 5.028 4.350 -0.001 0.000 0.284 399 T C -0.287 174.443 174.700 0.049 0.000 1.004 399 T CA -0.789 61.391 62.100 0.133 0.000 1.063 399 T CB 0.991 69.915 68.868 0.094 0.000 0.992 399 T HN 0.453 nan 8.240 nan 0.000 0.483 400 L N 1.730 122.981 121.223 0.046 0.000 2.445 400 L HA 0.721 5.060 4.340 -0.001 0.000 0.262 400 L C -0.703 176.154 176.870 -0.021 0.000 0.974 400 L CA -0.420 54.334 54.840 -0.142 0.000 0.822 400 L CB 2.196 43.922 42.059 -0.554 0.000 1.339 400 L HN 1.111 nan 8.230 nan 0.000 0.409 401 S N 2.483 118.127 115.700 -0.094 0.000 2.599 401 S HA 1.062 5.531 4.470 -0.001 0.000 0.287 401 S C -0.332 174.192 174.600 -0.127 0.000 1.105 401 S CA -0.019 58.184 58.200 0.005 0.000 0.899 401 S CB 2.065 65.237 63.200 -0.046 0.000 1.100 401 S HN 1.672 nan 8.310 nan 0.000 0.482 402 G N 1.066 109.853 108.800 -0.021 0.000 2.316 402 G HA2 0.327 4.286 3.960 -0.001 0.000 0.349 402 G HA3 0.327 4.286 3.960 -0.001 0.000 0.349 402 G C -1.810 173.000 174.900 -0.150 0.000 1.274 402 G CA 0.004 44.993 45.100 -0.184 0.000 1.018 402 G HN 1.270 nan 8.290 nan 0.000 0.486 403 D N -1.742 118.439 120.400 -0.365 0.000 2.687 403 D HA 0.758 5.398 4.640 -0.001 0.000 0.264 403 D C -0.644 175.172 176.300 -0.807 0.000 1.091 403 D CA -1.039 52.773 54.000 -0.313 0.000 1.123 403 D CB 1.072 41.872 40.800 0.000 0.000 1.407 403 D HN 0.397 nan 8.370 nan 0.000 0.591 404 F N -0.530 119.305 119.950 -0.192 0.000 2.623 404 F HA 0.398 4.925 4.527 -0.001 0.000 0.361 404 F C -0.970 174.663 175.800 -0.277 0.000 1.469 404 F CA -0.635 57.251 58.000 -0.189 0.000 1.126 404 F CB 0.206 39.126 39.000 -0.134 0.000 1.221 404 F HN 0.001 nan 8.300 nan 0.000 0.536 405 F N -0.698 119.443 119.950 0.319 0.000 2.538 405 F HA 0.575 5.101 4.527 -0.001 0.000 0.325 405 F C 0.603 176.666 175.800 0.439 0.000 1.066 405 F CA -1.366 56.889 58.000 0.424 0.000 0.946 405 F CB 1.587 40.830 39.000 0.403 0.000 1.199 405 F HN -0.282 nan 8.300 nan 0.000 0.473 406 T N 1.786 116.729 114.554 0.648 0.000 2.806 406 T HA 0.163 4.512 4.350 -0.001 0.000 0.290 406 T C -0.939 174.232 174.700 0.785 0.000 0.966 406 T CA -0.209 62.339 62.100 0.746 0.000 1.060 406 T CB 0.139 69.310 68.868 0.504 0.000 0.927 406 T HN 0.375 nan 8.240 nan 0.000 0.485 407 Y N 3.044 123.678 120.300 0.556 0.000 2.511 407 Y HA 0.402 4.951 4.550 -0.001 0.000 0.332 407 Y C -0.104 175.847 175.900 0.085 0.000 1.177 407 Y CA -0.985 57.270 58.100 0.258 0.000 1.422 407 Y CB 0.089 38.581 38.460 0.055 0.000 1.271 407 Y HN 0.682 nan 8.280 nan 0.000 0.550 408 A N 5.126 127.495 122.820 -0.752 0.000 2.374 408 A HA 0.368 4.687 4.320 -0.001 0.000 0.305 408 A C -0.017 176.923 177.584 -1.072 0.000 1.053 408 A CA -0.258 51.172 52.037 -1.012 0.000 0.726 408 A CB 0.738 18.899 19.000 -1.398 0.000 1.229 408 A HN 0.802 nan 8.150 nan 0.000 0.431 409 D N 1.427 121.351 120.400 -0.792 0.000 2.305 409 D HA 0.047 4.686 4.640 -0.001 0.000 0.206 409 D C 0.532 176.842 176.300 0.016 0.000 0.974 409 D CA 0.607 54.404 54.000 -0.338 0.000 0.871 409 D CB 0.151 40.876 40.800 -0.126 0.000 0.947 409 D HN 0.731 nan 8.370 nan 0.000 0.516 410 R N -2.316 118.136 120.500 -0.079 0.000 2.687 410 R HA 0.403 4.742 4.340 -0.001 0.000 0.265 410 R C -0.225 175.967 176.300 -0.180 0.000 1.048 410 R CA -0.186 55.721 56.100 -0.321 0.000 0.884 410 R CB 0.774 30.959 30.300 -0.193 0.000 1.258 410 R HN -0.099 nan 8.270 nan 0.000 0.469 411 S N 0.253 115.794 115.700 -0.265 0.000 3.938 411 S HA -0.285 4.185 4.470 -0.001 0.000 0.624 411 S C 0.356 175.031 174.600 0.124 0.000 2.186 411 S CA 1.863 60.049 58.200 -0.023 0.000 4.144 411 S CB -1.080 62.097 63.200 -0.038 0.000 0.230 411 S HN 1.091 nan 8.310 nan 0.000 0.755 412 D N 1.390 121.858 120.400 0.112 0.000 2.427 412 D HA 0.197 4.837 4.640 -0.001 0.000 0.224 412 D C 0.057 176.469 176.300 0.186 0.000 1.157 412 D CA -0.123 54.011 54.000 0.224 0.000 0.828 412 D CB -1.426 39.489 40.800 0.193 0.000 0.974 412 D HN 0.498 nan 8.370 nan 0.000 0.498 413 N N 0.935 119.648 118.700 0.022 0.000 2.807 413 N HA 0.053 4.793 4.740 -0.001 0.000 0.259 413 N C -0.914 174.626 175.510 0.051 0.000 1.149 413 N CA -0.341 52.731 53.050 0.037 0.000 1.042 413 N CB 0.155 38.652 38.487 0.017 0.000 1.367 413 N HN 0.133 nan 8.380 nan 0.000 0.516 414 Y N 0.207 120.602 120.300 0.159 0.000 2.316 414 Y HA 0.098 4.647 4.550 -0.001 0.000 0.331 414 Y C 0.121 176.228 175.900 0.346 0.000 1.083 414 Y CA -0.610 57.643 58.100 0.255 0.000 1.206 414 Y CB 0.542 39.100 38.460 0.162 0.000 1.195 414 Y HN 0.392 nan 8.280 nan 0.000 0.497 415 W N 2.543 123.981 121.300 0.229 0.000 1.603 415 W HA 0.233 4.893 4.660 -0.001 0.000 0.392 415 W C 0.786 177.355 176.519 0.084 0.000 0.661 415 W CA -0.624 56.886 57.345 0.275 0.000 2.021 415 W CB -0.427 29.303 29.460 0.451 0.000 1.759 415 W HN 0.551 nan 8.180 nan 0.000 0.334 416 S N -2.071 113.663 115.700 0.057 0.000 2.540 416 S HA 0.138 4.607 4.470 -0.001 0.000 0.218 416 S C 1.909 176.243 174.600 -0.443 0.000 0.977 416 S CA 0.309 58.177 58.200 -0.553 0.000 0.918 416 S CB 0.241 63.424 63.200 -0.029 0.000 0.806 416 S HN 0.337 nan 8.310 nan 0.000 0.496 417 G N 1.933 110.670 108.800 -0.105 0.000 2.408 417 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.217 417 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.217 417 G C 1.240 176.118 174.900 -0.037 0.000 1.150 417 G CA 0.827 45.876 45.100 -0.086 0.000 0.776 417 G HN 0.787 nan 8.290 nan 0.000 0.542 418 Y N -0.509 119.764 120.300 -0.046 0.000 2.616 418 Y HA 0.157 4.706 4.550 -0.001 0.000 0.296 418 Y C 1.819 177.847 175.900 0.213 0.000 1.154 418 Y CA -0.377 57.775 58.100 0.088 0.000 1.325 418 Y CB -0.356 38.238 38.460 0.222 0.000 1.007 418 Y HN 0.171 nan 8.280 nan 0.000 0.542 419 Y N 0.633 120.713 120.300 -0.366 0.000 2.497 419 Y HA -0.037 4.513 4.550 -0.001 0.000 0.292 419 Y C 1.761 177.613 175.900 -0.079 0.000 1.137 419 Y CA 0.690 58.613 58.100 -0.295 0.000 1.285 419 Y CB -0.758 37.566 38.460 -0.226 0.000 0.991 419 Y HN 0.297 nan 8.280 nan 0.000 0.556 420 T N -2.657 111.965 114.554 0.113 0.000 2.954 420 T HA 0.082 4.432 4.350 -0.001 0.000 0.252 420 T C 0.720 175.507 174.700 0.145 0.000 0.983 420 T CA -0.069 62.099 62.100 0.112 0.000 0.941 420 T CB 0.029 68.933 68.868 0.060 0.000 1.141 420 T HN -0.064 nan 8.240 nan 0.000 0.500 421 S N 2.464 118.248 115.700 0.140 0.000 2.558 421 S HA 0.195 4.664 4.470 -0.001 0.000 0.293 421 S C 0.405 175.139 174.600 0.223 0.000 1.292 421 S CA 0.008 58.302 58.200 0.156 0.000 1.063 421 S CB 0.089 63.367 63.200 0.131 0.000 0.831 421 S HN 0.403 nan 8.310 nan 0.000 0.499 422 R N 1.060 121.708 120.500 0.247 0.000 3.209 422 R HA -0.120 4.220 4.340 -0.001 0.000 0.252 422 R C -2.071 174.478 176.300 0.416 0.000 0.958 422 R CA 0.683 57.003 56.100 0.368 0.000 0.651 422 R CB -1.762 28.784 30.300 0.409 0.000 1.142 422 R HN 0.498 nan 8.270 nan 0.000 0.441 423 P HA -0.204 nan 4.420 nan 0.000 0.223 423 P C 1.091 178.605 177.300 0.356 0.000 1.151 423 P CA 0.888 64.206 63.100 0.364 0.000 0.787 423 P CB -0.009 31.948 31.700 0.429 0.000 0.788 424 Y N 1.497 121.891 120.300 0.157 0.000 2.165 424 Y HA -0.260 4.289 4.550 -0.001 0.000 0.286 424 Y C 2.258 178.151 175.900 -0.013 0.000 1.155 424 Y CA 2.077 60.185 58.100 0.013 0.000 1.164 424 Y CB -0.898 37.438 38.460 -0.206 0.000 0.978 424 Y HN 0.065 nan 8.280 nan 0.000 0.513 425 H N -0.907 118.409 119.070 0.409 0.000 2.470 425 H HA 0.024 4.579 4.556 -0.001 0.000 0.289 425 H C 2.042 177.523 175.328 0.256 0.000 1.033 425 H CA 1.220 57.434 56.048 0.278 0.000 1.331 425 H CB -0.042 29.955 29.762 0.393 0.000 1.414 425 H HN 0.240 nan 8.280 nan 0.000 0.545 426 K N 0.376 121.001 120.400 0.376 0.000 2.057 426 K HA -0.165 4.154 4.320 -0.001 0.000 0.207 426 K C 2.246 178.908 176.600 0.103 0.000 1.049 426 K CA 1.281 57.724 56.287 0.261 0.000 0.931 426 K CB 0.063 32.692 32.500 0.215 0.000 0.714 426 K HN 0.029 nan 8.250 nan 0.000 0.440 427 R N 1.382 121.915 120.500 0.055 0.000 2.075 427 R HA -0.013 4.326 4.340 -0.001 0.000 0.232 427 R C 2.070 178.147 176.300 -0.371 0.000 1.126 427 R CA 1.470 57.534 56.100 -0.060 0.000 0.963 427 R CB -0.447 29.907 30.300 0.090 0.000 0.858 427 R HN 0.161 nan 8.270 nan 0.000 0.435 428 M N 0.311 119.560 119.600 -0.584 0.000 2.149 428 M HA -0.215 4.264 4.480 -0.001 0.000 0.261 428 M C 1.451 177.432 176.300 -0.531 0.000 1.064 428 M CA 2.435 57.144 55.300 -0.986 0.000 1.102 428 M CB -0.333 31.871 32.600 -0.660 0.000 1.369 428 M HN 0.295 nan 8.290 nan 0.000 0.408 429 D N -0.314 119.959 120.400 -0.211 0.000 2.133 429 D HA -0.215 4.424 4.640 -0.001 0.000 0.195 429 D C 1.891 178.114 176.300 -0.127 0.000 0.997 429 D CA 1.427 55.401 54.000 -0.043 0.000 0.840 429 D CB 0.115 41.037 40.800 0.204 0.000 0.947 429 D HN 0.216 nan 8.370 nan 0.000 0.452 430 R N 0.039 120.440 120.500 -0.164 0.000 2.115 430 R HA -0.007 4.332 4.340 -0.001 0.000 0.226 430 R C 2.413 178.571 176.300 -0.237 0.000 1.100 430 R CA 0.422 56.415 56.100 -0.178 0.000 0.980 430 R CB -0.925 29.288 30.300 -0.145 0.000 0.875 430 R HN 0.262 nan 8.270 nan 0.000 0.445 431 V N 1.469 121.175 119.914 -0.347 0.000 2.261 431 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 431 V C 2.362 178.336 176.094 -0.201 0.000 1.047 431 V CA 1.489 63.577 62.300 -0.354 0.000 1.015 431 V CB -0.585 30.838 31.823 -0.667 0.000 0.642 431 V HN 0.135 nan 8.190 nan 0.000 0.446 432 L N -0.333 120.759 121.223 -0.218 0.000 2.083 432 L HA -0.161 4.178 4.340 -0.001 0.000 0.209 432 L C 2.311 179.126 176.870 -0.091 0.000 1.083 432 L CA 2.030 56.814 54.840 -0.094 0.000 0.752 432 L CB -0.714 41.265 42.059 -0.134 0.000 0.899 432 L HN 0.342 nan 8.230 nan 0.000 0.433 433 M N -1.339 118.180 119.600 -0.136 0.000 2.082 433 M HA -0.334 4.146 4.480 -0.001 0.000 0.258 433 M C 2.370 178.566 176.300 -0.174 0.000 1.069 433 M CA 2.428 57.632 55.300 -0.161 0.000 1.102 433 M CB -0.410 32.061 32.600 -0.215 0.000 1.336 433 M HN 0.556 nan 8.290 nan 0.000 0.404 434 H N -0.724 118.182 119.070 -0.274 0.000 2.357 434 H HA -0.157 4.398 4.556 -0.001 0.000 0.301 434 H C 1.394 176.571 175.328 -0.251 0.000 1.082 434 H CA 2.381 58.240 56.048 -0.315 0.000 1.342 434 H CB -0.340 29.152 29.762 -0.449 0.000 1.389 434 H HN 0.492 nan 8.280 nan 0.000 0.511 435 Y N -0.630 119.523 120.300 -0.244 0.000 2.373 435 Y HA -0.085 4.464 4.550 -0.001 0.000 0.293 435 Y C 2.637 178.418 175.900 -0.199 0.000 1.129 435 Y CA 0.906 58.864 58.100 -0.237 0.000 1.226 435 Y CB -0.369 38.021 38.460 -0.117 0.000 1.000 435 Y HN 0.120 nan 8.280 nan 0.000 0.549 436 V N 0.136 120.022 119.914 -0.046 0.000 2.307 436 V HA -0.290 3.829 4.120 -0.001 0.000 0.245 436 V C 2.547 178.580 176.094 -0.101 0.000 1.045 436 V CA 2.120 64.378 62.300 -0.071 0.000 1.024 436 V CB -0.543 31.230 31.823 -0.084 0.000 0.651 436 V HN 0.298 nan 8.190 nan 0.000 0.449 437 R N 0.459 120.867 120.500 -0.154 0.000 2.083 437 R HA -0.192 4.147 4.340 -0.001 0.000 0.237 437 R C 2.241 178.485 176.300 -0.093 0.000 1.137 437 R CA 1.951 57.972 56.100 -0.131 0.000 0.951 437 R CB -0.497 29.711 30.300 -0.153 0.000 0.851 437 R HN 0.462 nan 8.270 nan 0.000 0.434 438 A N 0.598 123.316 122.820 -0.170 0.000 1.930 438 A HA -0.040 4.279 4.320 -0.001 0.000 0.217 438 A C 2.364 179.958 177.584 0.016 0.000 1.175 438 A CA 1.548 53.577 52.037 -0.012 0.000 0.627 438 A CB -0.707 18.259 19.000 -0.057 0.000 0.815 438 A HN 0.574 nan 8.150 nan 0.000 0.443 439 A N -0.109 122.709 122.820 -0.004 0.000 1.898 439 A HA -0.154 4.165 4.320 -0.001 0.000 0.216 439 A C 1.934 179.493 177.584 -0.042 0.000 1.181 439 A CA 1.547 53.575 52.037 -0.015 0.000 0.620 439 A CB -0.510 18.474 19.000 -0.027 0.000 0.819 439 A HN 0.615 nan 8.150 nan 0.000 0.442 440 E N -0.984 119.183 120.200 -0.054 0.000 2.077 440 E HA -0.202 4.147 4.350 -0.001 0.000 0.193 440 E C 2.058 178.609 176.600 -0.081 0.000 0.989 440 E CA 1.362 57.717 56.400 -0.074 0.000 0.800 440 E CB -0.254 29.400 29.700 -0.077 0.000 0.746 440 E HN 0.748 nan 8.360 nan 0.000 0.452 441 M N 0.717 120.293 119.600 -0.040 0.000 2.077 441 M HA -0.142 4.337 4.480 -0.001 0.000 0.261 441 M C 2.188 178.497 176.300 0.015 0.000 1.070 441 M CA 1.318 56.594 55.300 -0.041 0.000 1.125 441 M CB 0.030 32.705 32.600 0.125 0.000 1.339 441 M HN 0.071 nan 8.290 nan 0.000 0.409 442 L N 0.092 121.386 121.223 0.118 0.000 2.079 442 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 442 L C 2.612 179.665 176.870 0.306 0.000 1.081 442 L CA 1.767 56.741 54.840 0.222 0.000 0.752 442 L CB -0.554 41.491 42.059 -0.024 0.000 0.896 442 L HN 0.519 nan 8.230 nan 0.000 0.433 443 S N -1.068 114.726 115.700 0.156 0.000 2.527 443 S HA 0.074 4.543 4.470 -0.001 0.000 0.222 443 S C 1.962 176.751 174.600 0.314 0.000 0.985 443 S CA 0.372 58.736 58.200 0.273 0.000 0.921 443 S CB 0.011 63.173 63.200 -0.063 0.000 0.772 443 S HN 0.296 nan 8.310 nan 0.000 0.529 444 A N 0.839 123.664 122.820 0.008 0.000 2.067 444 A HA 0.100 4.419 4.320 -0.001 0.000 0.219 444 A C 1.672 179.153 177.584 -0.172 0.000 1.158 444 A CA 0.713 52.651 52.037 -0.164 0.000 0.661 444 A CB -1.140 17.610 19.000 -0.417 0.000 0.801 444 A HN 0.760 nan 8.150 nan 0.000 0.452 445 W N -0.645 120.677 121.300 0.036 0.000 2.392 445 W HA -0.004 4.655 4.660 -0.001 0.000 0.279 445 W C 0.869 177.179 176.519 -0.348 0.000 1.225 445 W CA 0.982 58.245 57.345 -0.137 0.000 1.233 445 W CB -0.152 29.186 29.460 -0.204 0.000 1.122 445 W HN 0.392 nan 8.180 nan 0.000 0.561 446 H N -2.327 116.811 119.070 0.113 0.000 2.771 446 H HA 0.355 4.910 4.556 -0.001 0.000 0.367 446 H C -0.359 174.876 175.328 -0.156 0.000 1.172 446 H CA -0.957 54.997 56.048 -0.157 0.000 1.186 446 H CB 1.701 31.126 29.762 -0.561 0.000 1.790 446 H HN -0.429 nan 8.280 nan 0.000 0.556 447 S N 0.908 116.574 115.700 -0.056 0.000 2.537 447 S HA 0.266 4.736 4.470 -0.001 0.000 0.275 447 S C -1.290 173.205 174.600 -0.176 0.000 1.272 447 S CA -0.625 57.560 58.200 -0.024 0.000 1.050 447 S CB 0.176 63.371 63.200 -0.009 0.000 0.961 447 S HN 0.410 nan 8.310 nan 0.000 0.496 448 W N 2.448 123.755 121.300 0.012 0.000 2.632 448 W HA 0.355 5.014 4.660 -0.001 0.000 0.328 448 W C 0.185 176.666 176.519 -0.065 0.000 1.044 448 W CA -0.790 56.535 57.345 -0.034 0.000 1.225 448 W CB 0.647 30.053 29.460 -0.090 0.000 1.396 448 W HN 0.584 nan 8.180 nan 0.000 0.499 449 D N 1.129 121.612 120.400 0.138 0.000 2.506 449 D HA -0.039 4.601 4.640 -0.001 0.000 0.234 449 D C 1.457 177.756 176.300 -0.001 0.000 1.143 449 D CA 1.050 55.089 54.000 0.066 0.000 0.871 449 D CB 1.576 42.437 40.800 0.101 0.000 1.190 449 D HN 0.705 nan 8.370 nan 0.000 0.459 450 G N 3.533 112.341 108.800 0.014 0.000 2.462 450 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.220 450 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.220 450 G C 1.622 176.494 174.900 -0.047 0.000 1.121 450 G CA 0.399 45.492 45.100 -0.010 0.000 0.758 450 G HN 0.563 nan 8.290 nan 0.000 0.559 451 M N 0.674 120.256 119.600 -0.031 0.000 2.358 451 M HA 0.005 4.484 4.480 -0.001 0.000 0.264 451 M C 2.838 179.046 176.300 -0.153 0.000 1.064 451 M CA 1.026 56.330 55.300 0.005 0.000 1.093 451 M CB -0.072 32.630 32.600 0.170 0.000 1.401 451 M HN 0.339 nan 8.290 nan 0.000 0.440 452 A N 0.049 122.542 122.820 -0.544 0.000 2.119 452 A HA -0.055 4.265 4.320 -0.001 0.000 0.217 452 A C 1.176 178.548 177.584 -0.353 0.000 1.153 452 A CA 0.532 52.034 52.037 -0.890 0.000 0.692 452 A CB -0.321 18.013 19.000 -1.111 0.000 0.799 452 A HN 0.578 nan 8.150 nan 0.000 0.458 453 R N -1.776 118.597 120.500 -0.213 0.000 3.641 453 R HA -0.179 4.161 4.340 -0.001 0.000 0.286 453 R C 0.656 176.846 176.300 -0.183 0.000 1.153 453 R CA 0.731 56.749 56.100 -0.137 0.000 0.775 453 R CB -2.122 28.130 30.300 -0.079 0.000 1.215 453 R HN 0.481 nan 8.270 nan 0.000 0.474 454 I N 0.484 120.896 120.570 -0.264 0.000 2.193 454 I HA -0.178 3.992 4.170 -0.001 0.000 0.240 454 I C 2.122 178.116 176.117 -0.206 0.000 1.084 454 I CA 1.643 62.738 61.300 -0.341 0.000 1.365 454 I CB -0.668 36.971 38.000 -0.600 0.000 1.064 454 I HN 0.194 nan 8.210 nan 0.000 0.410 455 E N 0.745 120.864 120.200 -0.136 0.000 2.110 455 E HA -0.236 4.113 4.350 -0.001 0.000 0.193 455 E C 2.082 178.637 176.600 -0.074 0.000 0.988 455 E CA 1.173 57.522 56.400 -0.085 0.000 0.804 455 E CB -0.238 29.436 29.700 -0.044 0.000 0.745 455 E HN 0.474 nan 8.360 nan 0.000 0.458 456 E N 0.436 120.593 120.200 -0.071 0.000 2.051 456 E HA -0.252 4.097 4.350 -0.001 0.000 0.192 456 E C 1.903 178.464 176.600 -0.066 0.000 0.991 456 E CA 1.076 57.443 56.400 -0.055 0.000 0.799 456 E CB 0.100 29.772 29.700 -0.047 0.000 0.748 456 E HN -0.023 nan 8.360 nan 0.000 0.449 457 R N 0.264 120.712 120.500 -0.087 0.000 2.092 457 R HA 0.010 4.350 4.340 -0.001 0.000 0.231 457 R C 2.384 178.630 176.300 -0.090 0.000 1.119 457 R CA 0.843 56.891 56.100 -0.086 0.000 0.970 457 R CB -0.451 29.788 30.300 -0.101 0.000 0.864 457 R HN 0.274 nan 8.270 nan 0.000 0.440 458 L N -0.097 121.063 121.223 -0.104 0.000 2.093 458 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 458 L C 2.371 179.184 176.870 -0.095 0.000 1.085 458 L CA 1.489 56.270 54.840 -0.099 0.000 0.755 458 L CB -0.419 41.577 42.059 -0.105 0.000 0.904 458 L HN 0.293 nan 8.230 nan 0.000 0.435 459 E N 0.147 120.296 120.200 -0.086 0.000 2.077 459 E HA -0.304 4.045 4.350 -0.001 0.000 0.193 459 E C 2.210 178.744 176.600 -0.110 0.000 0.989 459 E CA 1.325 57.668 56.400 -0.095 0.000 0.800 459 E CB -0.008 29.657 29.700 -0.057 0.000 0.746 459 E HN 0.430 nan 8.360 nan 0.000 0.452 460 Q N 0.034 119.787 119.800 -0.079 0.000 2.061 460 Q HA -0.220 4.120 4.340 -0.001 0.000 0.204 460 Q C 2.091 178.045 176.000 -0.077 0.000 0.984 460 Q CA 1.746 57.510 55.803 -0.065 0.000 0.846 460 Q CB -0.248 28.463 28.738 -0.045 0.000 0.902 460 Q HN 0.352 nan 8.270 nan 0.000 0.421 461 A N 1.005 123.777 122.820 -0.079 0.000 1.902 461 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 461 A C 2.088 179.615 177.584 -0.095 0.000 1.181 461 A CA 1.415 53.407 52.037 -0.074 0.000 0.623 461 A CB -0.498 18.460 19.000 -0.069 0.000 0.818 461 A HN 0.379 nan 8.150 nan 0.000 0.443 462 R N -0.779 119.645 120.500 -0.126 0.000 2.096 462 R HA -0.092 4.248 4.340 -0.001 0.000 0.235 462 R C 2.429 178.585 176.300 -0.240 0.000 1.127 462 R CA 1.574 57.575 56.100 -0.165 0.000 0.968 462 R CB -0.264 29.926 30.300 -0.182 0.000 0.861 462 R HN 0.488 nan 8.270 nan 0.000 0.440 463 R N 0.223 120.551 120.500 -0.287 0.000 2.090 463 R HA -0.061 4.279 4.340 -0.001 0.000 0.228 463 R C 2.070 178.310 176.300 -0.100 0.000 1.110 463 R CA 0.896 56.754 56.100 -0.404 0.000 0.973 463 R CB 0.043 30.128 30.300 -0.360 0.000 0.869 463 R HN 0.186 nan 8.270 nan 0.000 0.440 464 E N 0.820 120.997 120.200 -0.039 0.000 2.072 464 E HA -0.164 4.185 4.350 -0.001 0.000 0.190 464 E C 1.980 178.619 176.600 0.066 0.000 0.982 464 E CA 0.725 57.149 56.400 0.040 0.000 0.803 464 E CB -0.244 29.470 29.700 0.024 0.000 0.755 464 E HN 0.144 nan 8.360 nan 0.000 0.453 465 L N 1.350 122.580 121.223 0.012 0.000 2.046 465 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 465 L C 2.155 179.076 176.870 0.086 0.000 1.077 465 L CA 1.615 56.480 54.840 0.043 0.000 0.747 465 L CB -0.618 41.431 42.059 -0.017 0.000 0.896 465 L HN -0.094 nan 8.230 nan 0.000 0.432 466 S N -0.411 115.305 115.700 0.026 0.000 2.368 466 S HA -0.189 4.280 4.470 -0.001 0.000 0.225 466 S C 1.853 176.602 174.600 0.248 0.000 1.030 466 S CA 1.567 59.815 58.200 0.081 0.000 0.999 466 S CB -0.604 62.541 63.200 -0.091 0.000 0.844 466 S HN 0.464 nan 8.310 nan 0.000 0.459 467 L N 0.665 122.080 121.223 0.320 0.000 2.042 467 L HA -0.032 4.307 4.340 -0.001 0.000 0.210 467 L C 1.881 178.865 176.870 0.190 0.000 1.076 467 L CA 1.614 56.639 54.840 0.308 0.000 0.749 467 L CB -0.580 41.636 42.059 0.263 0.000 0.893 467 L HN 0.290 nan 8.230 nan 0.000 0.432 468 F N -0.367 119.564 119.950 -0.032 0.000 2.546 468 F HA -0.124 4.403 4.527 -0.001 0.000 0.298 468 F C 2.181 177.906 175.800 -0.126 0.000 1.120 468 F CA 0.816 58.685 58.000 -0.218 0.000 1.456 468 F CB -0.207 38.701 39.000 -0.153 0.000 1.088 468 F HN 0.241 nan 8.300 nan 0.000 0.572 469 Q N -0.393 119.378 119.800 -0.048 0.000 2.436 469 Q HA -0.147 4.192 4.340 -0.001 0.000 0.209 469 Q C 0.577 176.517 176.000 -0.101 0.000 0.965 469 Q CA 0.490 56.240 55.803 -0.090 0.000 0.910 469 Q CB -1.292 27.463 28.738 0.028 0.000 0.980 469 Q HN 0.506 nan 8.270 nan 0.000 0.491 470 H N 1.987 120.949 119.070 -0.180 0.000 3.058 470 H HA -0.122 4.433 4.556 -0.001 0.000 0.347 470 H C 1.291 176.469 175.328 -0.249 0.000 1.087 470 H CA 0.792 56.731 56.048 -0.181 0.000 1.375 470 H CB 0.550 30.221 29.762 -0.152 0.000 1.312 470 H HN 0.247 nan 8.280 nan 0.000 0.607 471 H N 1.980 120.619 119.070 -0.719 0.000 2.562 471 H HA 0.000 4.556 4.556 -0.001 0.000 0.272 471 H C -0.345 174.537 175.328 -0.743 0.000 1.019 471 H CA 0.702 56.290 56.048 -0.767 0.000 1.160 471 H CB 0.273 29.574 29.762 -0.767 0.000 1.334 471 H HN 0.610 nan 8.280 nan 0.000 0.611 472 D N 0.386 120.087 120.400 -1.166 0.000 2.513 472 D HA 0.128 4.768 4.640 -0.001 0.000 0.222 472 D C 1.563 177.837 176.300 -0.044 0.000 1.210 472 D CA 0.272 54.129 54.000 -0.239 0.000 0.825 472 D CB 0.878 41.792 40.800 0.190 0.000 1.037 472 D HN 0.526 nan 8.370 nan 0.000 0.506 473 G N 1.293 109.846 108.800 -0.411 0.000 2.600 473 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.225 473 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.225 473 G C 1.343 175.640 174.900 -1.006 0.000 1.623 473 G CA -0.205 44.392 45.100 -0.837 0.000 0.903 473 G HN 0.198 nan 8.290 nan 0.000 0.574 474 I N 2.011 121.726 120.570 -1.426 0.000 2.530 474 I HA -0.179 3.991 4.170 -0.001 0.000 0.257 474 I C 2.859 178.874 176.117 -0.170 0.000 1.179 474 I CA 2.067 62.832 61.300 -0.891 0.000 1.440 474 I CB -0.018 37.642 38.000 -0.566 0.000 1.087 474 I HN 0.375 nan 8.210 nan 0.000 0.440 475 T N -1.786 112.714 114.554 -0.089 0.000 3.007 475 T HA 0.048 4.397 4.350 -0.001 0.000 0.270 475 T C 1.545 176.388 174.700 0.239 0.000 1.107 475 T CA 0.607 62.846 62.100 0.233 0.000 1.118 475 T CB -0.444 68.558 68.868 0.224 0.000 0.889 475 T HN 0.629 nan 8.240 nan 0.000 0.506 476 G N 1.487 110.381 108.800 0.156 0.000 2.176 476 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.252 476 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.252 476 G C 0.544 175.514 174.900 0.116 0.000 1.024 476 G CA 0.612 45.826 45.100 0.189 0.000 0.755 476 G HN 1.136 nan 8.290 nan 0.000 0.507 477 T N -3.331 111.283 114.554 0.101 0.000 3.215 477 T HA 0.740 5.089 4.350 -0.001 0.000 0.271 477 T C 0.824 175.708 174.700 0.307 0.000 1.012 477 T CA 1.007 63.096 62.100 -0.019 0.000 0.899 477 T CB 0.998 69.672 68.868 -0.324 0.000 1.089 477 T HN 1.572 nan 8.240 nan 0.000 0.552 478 A N 1.233 124.249 122.820 0.327 0.000 2.281 478 A HA 0.697 5.017 4.320 -0.001 0.000 0.329 478 A C 0.162 177.831 177.584 0.142 0.000 1.122 478 A CA -0.976 51.281 52.037 0.366 0.000 0.850 478 A CB 0.923 20.183 19.000 0.433 0.000 1.207 478 A HN 0.387 nan 8.150 nan 0.000 0.495 479 K N -0.128 120.281 120.400 0.015 0.000 2.336 479 K HA 0.122 4.442 4.320 -0.001 0.000 0.262 479 K C 1.063 177.661 176.600 -0.002 0.000 0.992 479 K CA 0.395 56.674 56.287 -0.014 0.000 0.927 479 K CB 0.340 32.821 32.500 -0.033 0.000 0.956 479 K HN 0.738 nan 8.250 nan 0.000 0.495 480 T N 1.420 116.006 114.554 0.054 0.000 2.665 480 T HA -0.202 4.147 4.350 -0.001 0.000 0.268 480 T C 1.657 176.389 174.700 0.053 0.000 1.035 480 T CA 1.843 63.981 62.100 0.062 0.000 1.151 480 T CB -0.406 68.508 68.868 0.075 0.000 0.862 480 T HN 0.685 nan 8.240 nan 0.000 0.438 481 H N 0.445 119.503 119.070 -0.021 0.000 2.495 481 H HA 0.108 4.664 4.556 -0.001 0.000 0.287 481 H C 2.018 177.314 175.328 -0.053 0.000 1.033 481 H CA 0.828 56.856 56.048 -0.032 0.000 1.307 481 H CB -0.763 28.973 29.762 -0.044 0.000 1.401 481 H HN 0.279 nan 8.280 nan 0.000 0.555 482 V N 1.139 120.703 119.914 -0.583 0.000 2.407 482 V HA -0.160 3.960 4.120 -0.001 0.000 0.245 482 V C 3.014 178.924 176.094 -0.307 0.000 1.041 482 V CA 1.057 63.044 62.300 -0.522 0.000 1.040 482 V CB -0.425 31.131 31.823 -0.446 0.000 0.671 482 V HN 0.229 nan 8.190 nan 0.000 0.455 483 V N 0.064 119.932 119.914 -0.076 0.000 2.332 483 V HA -0.243 3.877 4.120 -0.001 0.000 0.248 483 V C 2.459 178.539 176.094 -0.023 0.000 1.055 483 V CA 1.973 64.289 62.300 0.027 0.000 1.038 483 V CB -0.524 31.273 31.823 -0.043 0.000 0.651 483 V HN 0.419 nan 8.190 nan 0.000 0.450 484 V N 0.323 120.229 119.914 -0.013 0.000 2.343 484 V HA -0.294 3.825 4.120 -0.001 0.000 0.247 484 V C 2.296 178.411 176.094 0.035 0.000 1.051 484 V CA 2.399 64.724 62.300 0.041 0.000 1.036 484 V CB -0.678 31.177 31.823 0.054 0.000 0.654 484 V HN 0.641 nan 8.190 nan 0.000 0.451 485 D N -0.980 119.396 120.400 -0.040 0.000 2.104 485 D HA -0.213 4.426 4.640 -0.001 0.000 0.194 485 D C 2.004 178.322 176.300 0.031 0.000 0.994 485 D CA 1.556 55.529 54.000 -0.044 0.000 0.830 485 D CB -0.164 40.549 40.800 -0.144 0.000 0.959 485 D HN 0.487 nan 8.370 nan 0.000 0.452 486 Y N 0.975 121.322 120.300 0.078 0.000 2.181 486 Y HA -0.072 4.478 4.550 -0.001 0.000 0.288 486 Y C 2.438 178.325 175.900 -0.022 0.000 1.146 486 Y CA 1.286 59.431 58.100 0.075 0.000 1.164 486 Y CB -0.772 37.807 38.460 0.197 0.000 0.982 486 Y HN 0.155 nan 8.280 nan 0.000 0.515 487 E N 0.091 120.403 120.200 0.186 0.000 2.077 487 E HA -0.256 4.093 4.350 -0.001 0.000 0.193 487 E C 1.984 178.673 176.600 0.149 0.000 0.989 487 E CA 1.409 57.935 56.400 0.209 0.000 0.800 487 E CB -0.043 29.866 29.700 0.349 0.000 0.746 487 E HN 0.579 nan 8.360 nan 0.000 0.452 488 Q N -0.076 119.797 119.800 0.121 0.000 2.084 488 Q HA -0.148 4.191 4.340 -0.001 0.000 0.202 488 Q C 2.321 178.365 176.000 0.074 0.000 0.978 488 Q CA 1.328 57.185 55.803 0.090 0.000 0.844 488 Q CB -0.064 28.716 28.738 0.071 0.000 0.898 488 Q HN 0.190 nan 8.270 nan 0.000 0.426 489 R N 0.093 120.643 120.500 0.082 0.000 2.081 489 R HA -0.074 4.265 4.340 -0.001 0.000 0.235 489 R C 2.264 178.589 176.300 0.041 0.000 1.131 489 R CA 1.468 57.610 56.100 0.069 0.000 0.960 489 R CB -0.177 30.188 30.300 0.109 0.000 0.856 489 R HN 0.296 nan 8.270 nan 0.000 0.436 490 M N 0.251 119.866 119.600 0.025 0.000 2.229 490 M HA -0.162 4.317 4.480 -0.001 0.000 0.264 490 M C 2.184 178.486 176.300 0.004 0.000 1.063 490 M CA 1.360 56.644 55.300 -0.026 0.000 1.114 490 M CB -0.138 32.386 32.600 -0.127 0.000 1.387 490 M HN 0.133 nan 8.290 nan 0.000 0.420 491 Q N 0.325 120.157 119.800 0.053 0.000 2.084 491 Q HA -0.157 4.183 4.340 -0.001 0.000 0.202 491 Q C 1.893 177.911 176.000 0.029 0.000 0.978 491 Q CA 1.265 57.109 55.803 0.069 0.000 0.844 491 Q CB -0.262 28.533 28.738 0.095 0.000 0.898 491 Q HN 0.481 nan 8.270 nan 0.000 0.426 492 E N 0.512 120.725 120.200 0.022 0.000 2.106 492 E HA -0.096 4.253 4.350 -0.001 0.000 0.192 492 E C 1.863 178.455 176.600 -0.015 0.000 0.984 492 E CA 1.042 57.444 56.400 0.004 0.000 0.806 492 E CB -0.220 29.486 29.700 0.010 0.000 0.750 492 E HN 0.314 nan 8.360 nan 0.000 0.458 493 A N 1.012 123.822 122.820 -0.017 0.000 1.930 493 A HA -0.106 4.213 4.320 -0.001 0.000 0.217 493 A C 2.388 179.944 177.584 -0.048 0.000 1.175 493 A CA 0.917 52.934 52.037 -0.035 0.000 0.627 493 A CB -0.657 18.322 19.000 -0.036 0.000 0.815 493 A HN 0.182 nan 8.150 nan 0.000 0.443 494 L N -0.601 120.593 121.223 -0.048 0.000 2.046 494 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 494 L C 2.589 179.394 176.870 -0.109 0.000 1.077 494 L CA 1.751 56.540 54.840 -0.085 0.000 0.747 494 L CB -0.398 41.623 42.059 -0.062 0.000 0.896 494 L HN 0.359 nan 8.230 nan 0.000 0.432 495 K N -0.166 120.193 120.400 -0.068 0.000 2.097 495 K HA -0.126 4.193 4.320 -0.001 0.000 0.205 495 K C 2.241 178.801 176.600 -0.068 0.000 1.050 495 K CA 1.251 57.498 56.287 -0.067 0.000 0.938 495 K CB -0.246 32.229 32.500 -0.042 0.000 0.718 495 K HN 0.285 nan 8.250 nan 0.000 0.442 496 A N 1.181 123.965 122.820 -0.060 0.000 1.902 496 A HA -0.197 4.122 4.320 -0.001 0.000 0.217 496 A C 2.439 179.980 177.584 -0.071 0.000 1.181 496 A CA 1.546 53.545 52.037 -0.062 0.000 0.623 496 A CB -1.008 17.957 19.000 -0.059 0.000 0.818 496 A HN 0.405 nan 8.150 nan 0.000 0.443 497 C N -1.086 118.169 119.300 -0.075 0.000 2.429 497 C HA -0.117 4.342 4.460 -0.001 0.000 0.277 497 C C 2.865 177.817 174.990 -0.063 0.000 1.262 497 C CA 1.246 60.225 59.018 -0.064 0.000 1.733 497 C CB -1.279 26.435 27.740 -0.043 0.000 2.010 497 C HN 0.792 nan 8.230 nan 0.000 0.483 498 Q N 0.268 120.000 119.800 -0.112 0.000 2.061 498 Q HA -0.288 4.051 4.340 -0.001 0.000 0.204 498 Q C 2.166 178.172 176.000 0.011 0.000 0.984 498 Q CA 2.104 57.861 55.803 -0.077 0.000 0.846 498 Q CB -0.274 28.389 28.738 -0.125 0.000 0.902 498 Q HN 0.589 nan 8.270 nan 0.000 0.421 499 M N -0.189 119.398 119.600 -0.022 0.000 2.080 499 M HA -0.137 4.342 4.480 -0.001 0.000 0.260 499 M C 1.846 178.141 176.300 -0.008 0.000 1.068 499 M CA 1.565 56.862 55.300 -0.006 0.000 1.109 499 M CB -0.446 32.134 32.600 -0.033 0.000 1.342 499 M HN 0.135 nan 8.290 nan 0.000 0.405 500 V N 0.175 120.051 119.914 -0.063 0.000 2.358 500 V HA -0.291 3.828 4.120 -0.001 0.000 0.246 500 V C 2.424 178.479 176.094 -0.065 0.000 1.047 500 V CA 2.147 64.362 62.300 -0.141 0.000 1.035 500 V CB -0.684 31.035 31.823 -0.173 0.000 0.658 500 V HN 0.554 nan 8.190 nan 0.000 0.452 501 M N 0.292 119.912 119.600 0.032 0.000 2.080 501 M HA -0.278 4.202 4.480 -0.001 0.000 0.260 501 M C 2.389 178.747 176.300 0.097 0.000 1.068 501 M CA 2.502 57.873 55.300 0.118 0.000 1.109 501 M CB -0.499 32.293 32.600 0.320 0.000 1.342 501 M HN 0.548 nan 8.290 nan 0.000 0.405 502 Q N -0.232 119.695 119.800 0.213 0.000 2.123 502 Q HA -0.125 4.214 4.340 -0.001 0.000 0.199 502 Q C 1.820 177.994 176.000 0.291 0.000 0.966 502 Q CA 1.123 57.070 55.803 0.239 0.000 0.845 502 Q CB -0.635 28.348 28.738 0.409 0.000 0.907 502 Q HN 0.416 nan 8.270 nan 0.000 0.439 503 Q N 0.627 120.585 119.800 0.263 0.000 2.135 503 Q HA -0.090 4.250 4.340 -0.001 0.000 0.204 503 Q C 2.266 178.517 176.000 0.419 0.000 0.981 503 Q CA 1.760 57.788 55.803 0.376 0.000 0.856 503 Q CB -0.239 28.637 28.738 0.228 0.000 0.902 503 Q HN 0.514 nan 8.270 nan 0.000 0.425 504 S N 0.341 116.178 115.700 0.229 0.000 2.368 504 S HA -0.085 4.385 4.470 -0.001 0.000 0.224 504 S C 2.220 176.889 174.600 0.115 0.000 1.029 504 S CA 1.018 59.408 58.200 0.316 0.000 0.988 504 S CB -0.215 63.105 63.200 0.200 0.000 0.838 504 S HN 0.133 nan 8.310 nan 0.000 0.462 505 V N 0.713 120.567 119.914 -0.100 0.000 2.343 505 V HA -0.195 3.924 4.120 -0.001 0.000 0.247 505 V C 1.995 178.102 176.094 0.021 0.000 1.051 505 V CA 1.814 63.938 62.300 -0.294 0.000 1.036 505 V CB -0.738 30.499 31.823 -0.977 0.000 0.654 505 V HN 0.527 nan 8.190 nan 0.000 0.451 506 Y N 1.092 121.464 120.300 0.120 0.000 2.181 506 Y HA -0.228 4.321 4.550 -0.001 0.000 0.288 506 Y C 2.741 178.720 175.900 0.132 0.000 1.146 506 Y CA 2.158 60.412 58.100 0.256 0.000 1.164 506 Y CB -0.279 38.247 38.460 0.109 0.000 0.982 506 Y HN 0.098 nan 8.280 nan 0.000 0.515 507 R N -0.219 120.268 120.500 -0.021 0.000 2.092 507 R HA -0.102 4.237 4.340 -0.001 0.000 0.231 507 R C 2.084 178.102 176.300 -0.471 0.000 1.119 507 R CA 1.555 57.281 56.100 -0.624 0.000 0.970 507 R CB -0.374 29.534 30.300 -0.653 0.000 0.864 507 R HN 0.428 nan 8.270 nan 0.000 0.440 508 L N 0.225 121.309 121.223 -0.232 0.000 2.291 508 L HA -0.053 4.286 4.340 -0.001 0.000 0.214 508 L C 1.365 178.122 176.870 -0.188 0.000 1.120 508 L CA 0.769 55.433 54.840 -0.295 0.000 0.799 508 L CB 0.137 41.860 42.059 -0.559 0.000 0.925 508 L HN 0.236 nan 8.230 nan 0.000 0.446 509 L N -1.306 119.896 121.223 -0.036 0.000 3.014 509 L HA 0.225 4.564 4.340 -0.001 0.000 0.263 509 L C -0.211 176.702 176.870 0.072 0.000 1.207 509 L CA -0.111 54.785 54.840 0.093 0.000 1.017 509 L CB 0.561 42.826 42.059 0.344 0.000 1.360 509 L HN -0.015 nan 8.230 nan 0.000 0.560 510 T N 0.104 114.618 114.554 -0.068 0.000 2.829 510 T HA 0.189 4.538 4.350 -0.001 0.000 0.280 510 T C -0.121 174.492 174.700 -0.146 0.000 0.999 510 T CA -0.558 61.474 62.100 -0.113 0.000 0.983 510 T CB 2.372 71.106 68.868 -0.224 0.000 0.968 510 T HN 0.016 nan 8.240 nan 0.000 0.446 511 K N 3.772 124.099 120.400 -0.121 0.000 2.504 511 K HA -0.017 4.302 4.320 -0.001 0.000 0.278 511 K C -1.729 174.838 176.600 -0.055 0.000 1.025 511 K CA -1.062 55.172 56.287 -0.089 0.000 1.093 511 K CB 0.433 32.886 32.500 -0.078 0.000 0.873 511 K HN 0.180 nan 8.250 nan 0.000 0.483 512 P HA -0.197 nan 4.420 nan 0.000 0.216 512 P C 0.754 178.069 177.300 0.026 0.000 1.150 512 P CA 1.478 64.558 63.100 -0.032 0.000 0.843 512 P CB 0.167 31.843 31.700 -0.040 0.000 0.787 513 S N -2.248 113.456 115.700 0.007 0.000 2.607 513 S HA 0.058 4.528 4.470 -0.001 0.000 0.224 513 S C 1.657 176.268 174.600 0.018 0.000 0.969 513 S CA 0.482 58.690 58.200 0.013 0.000 0.927 513 S CB -1.095 62.104 63.200 -0.001 0.000 0.772 513 S HN 0.106 nan 8.310 nan 0.000 0.533 514 I N -0.743 119.844 120.570 0.028 0.000 3.339 514 I HA 0.205 4.374 4.170 -0.001 0.000 0.285 514 I C 0.603 176.756 176.117 0.059 0.000 1.201 514 I CA -0.357 60.962 61.300 0.031 0.000 1.434 514 I CB -0.034 37.977 38.000 0.018 0.000 1.152 514 I HN 0.260 nan 8.210 nan 0.000 0.443 515 Y N 2.665 122.914 120.300 -0.084 0.000 2.802 515 Y HA -0.023 4.527 4.550 -0.001 0.000 0.333 515 Y C 0.461 176.334 175.900 -0.045 0.000 1.244 515 Y CA 0.023 58.053 58.100 -0.117 0.000 1.558 515 Y CB 0.441 38.794 38.460 -0.178 0.000 1.233 515 Y HN -0.119 nan 8.280 nan 0.000 0.547 516 S N 8.655 124.101 115.700 -0.424 0.000 2.317 516 S HA 0.350 4.819 4.470 -0.001 0.000 0.144 516 S C -2.863 171.502 174.600 -0.390 0.000 1.660 516 S CA -1.152 56.826 58.200 -0.371 0.000 1.273 516 S CB -0.148 62.965 63.200 -0.146 0.000 1.330 516 S HN 0.660 nan 8.310 nan 0.000 0.395 517 P HA 0.331 nan 4.420 nan 0.000 0.280 517 P C -1.112 175.902 177.300 -0.477 0.000 1.244 517 P CA -0.191 62.629 63.100 -0.467 0.000 0.784 517 P CB 0.832 32.186 31.700 -0.577 0.000 0.913 518 D N 2.248 122.569 120.400 -0.133 0.000 2.373 518 D HA 0.134 4.774 4.640 -0.001 0.000 0.227 518 D C 0.222 176.535 176.300 0.022 0.000 1.091 518 D CA -0.655 53.252 54.000 -0.154 0.000 0.840 518 D CB 0.197 40.927 40.800 -0.117 0.000 1.060 518 D HN 0.056 nan 8.370 nan 0.000 0.502 519 F N 1.664 121.713 119.950 0.166 0.000 2.699 519 F HA -0.045 4.481 4.527 -0.001 0.000 0.298 519 F C 2.455 178.319 175.800 0.107 0.000 1.154 519 F CA 0.531 58.632 58.000 0.169 0.000 1.457 519 F CB -0.370 38.713 39.000 0.139 0.000 1.106 519 F HN 0.389 nan 8.300 nan 0.000 0.585 520 S N -1.619 114.215 115.700 0.222 0.000 2.535 520 S HA 0.087 4.556 4.470 -0.001 0.000 0.214 520 S C 0.376 175.011 174.600 0.058 0.000 0.980 520 S CA -0.382 57.889 58.200 0.119 0.000 0.907 520 S CB -0.639 62.612 63.200 0.085 0.000 0.790 520 S HN 0.102 nan 8.310 nan 0.000 0.510 521 F N 2.697 122.564 119.950 -0.140 0.000 2.379 521 F HA 0.604 5.130 4.527 -0.001 0.000 0.332 521 F C -0.036 175.518 175.800 -0.411 0.000 1.096 521 F CA -0.717 57.067 58.000 -0.360 0.000 1.105 521 F CB 1.635 40.255 39.000 -0.635 0.000 1.189 521 F HN -0.068 nan 8.300 nan 0.000 0.515 522 S N 5.718 120.685 115.700 -1.221 0.000 2.464 522 S HA 0.148 4.617 4.470 -0.001 0.000 0.313 522 S C 0.366 174.337 174.600 -1.049 0.000 1.078 522 S CA -0.346 57.356 58.200 -0.830 0.000 1.096 522 S CB -0.214 62.638 63.200 -0.581 0.000 1.032 522 S HN 0.655 nan 8.310 nan 0.000 0.498 523 Y N 1.721 121.768 120.300 -0.422 0.000 2.314 523 Y HA 0.131 4.681 4.550 -0.001 0.000 0.293 523 Y C 0.396 175.728 175.900 -0.947 0.000 1.129 523 Y CA 0.805 58.514 58.100 -0.652 0.000 1.201 523 Y CB 0.080 38.142 38.460 -0.664 0.000 0.999 523 Y HN 0.497 nan 8.280 nan 0.000 0.541 524 F N -1.427 118.466 119.950 -0.096 0.000 2.599 524 F HA 0.454 4.980 4.527 -0.001 0.000 0.311 524 F C -0.055 175.764 175.800 0.032 0.000 1.076 524 F CA -1.480 56.536 58.000 0.026 0.000 0.937 524 F CB 1.632 40.793 39.000 0.268 0.000 1.282 524 F HN -0.403 nan 8.300 nan 0.000 0.460 525 T N 0.108 114.811 114.554 0.249 0.000 2.888 525 T HA 0.709 5.058 4.350 -0.001 0.000 0.284 525 T C -0.615 174.176 174.700 0.152 0.000 1.017 525 T CA -0.829 61.355 62.100 0.138 0.000 1.022 525 T CB 1.247 70.137 68.868 0.036 0.000 1.013 525 T HN 0.503 nan 8.240 nan 0.000 0.465 526 L N 1.961 123.184 121.223 -0.000 0.000 2.397 526 L HA 0.412 4.751 4.340 -0.001 0.000 0.271 526 L C 0.106 176.931 176.870 -0.074 0.000 1.148 526 L CA -0.309 54.431 54.840 -0.167 0.000 0.825 526 L CB 0.695 42.572 42.059 -0.304 0.000 1.117 526 L HN 0.810 nan 8.230 nan 0.000 0.456 527 D N 1.670 122.029 120.400 -0.069 0.000 2.425 527 D HA 0.198 4.838 4.640 -0.001 0.000 0.240 527 D C -1.219 175.012 176.300 -0.114 0.000 1.080 527 D CA -0.387 53.576 54.000 -0.062 0.000 0.836 527 D CB 1.096 41.898 40.800 0.003 0.000 1.125 527 D HN 0.287 nan 8.370 nan 0.000 0.525 528 D N 2.443 122.790 120.400 -0.088 0.000 2.481 528 D HA 0.183 4.822 4.640 -0.001 0.000 0.246 528 D C 0.071 176.317 176.300 -0.091 0.000 1.109 528 D CA -0.460 53.522 54.000 -0.030 0.000 0.845 528 D CB 1.827 42.703 40.800 0.125 0.000 1.160 528 D HN 0.262 nan 8.370 nan 0.000 0.534 529 S N 2.736 118.356 115.700 -0.133 0.000 2.522 529 S HA 0.035 4.504 4.470 -0.001 0.000 0.227 529 S C 1.326 175.883 174.600 -0.071 0.000 0.986 529 S CA 0.466 58.577 58.200 -0.149 0.000 0.929 529 S CB 0.402 63.501 63.200 -0.168 0.000 0.769 529 S HN 0.494 nan 8.310 nan 0.000 0.529 530 R N -0.472 120.019 120.500 -0.014 0.000 2.549 530 R HA 0.226 4.565 4.340 -0.001 0.000 0.344 530 R C -0.767 175.614 176.300 0.136 0.000 0.979 530 R CA -0.116 56.001 56.100 0.027 0.000 1.140 530 R CB 0.809 31.116 30.300 0.012 0.000 1.377 530 R HN 0.347 nan 8.270 nan 0.000 0.541 531 W N 1.333 122.596 121.300 -0.062 0.000 3.439 531 W HA 0.291 4.950 4.660 -0.001 0.000 0.323 531 W C -2.903 173.591 176.519 -0.041 0.000 1.174 531 W CA -1.928 55.382 57.345 -0.059 0.000 1.224 531 W CB 1.800 31.238 29.460 -0.038 0.000 1.348 531 W HN -0.192 nan 8.180 nan 0.000 0.498 532 P HA 0.107 nan 4.420 nan 0.000 0.226 532 P C 0.350 177.295 177.300 -0.592 0.000 1.153 532 P CA 1.683 63.930 63.100 -1.422 0.000 0.777 532 P CB 0.305 31.386 31.700 -1.031 0.000 0.794 533 G N -1.177 107.441 108.800 -0.304 0.000 2.617 533 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.686 533 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.686 533 G C -0.511 174.332 174.900 -0.095 0.000 1.214 533 G CA -0.567 44.446 45.100 -0.145 0.000 0.796 533 G HN 0.047 nan 8.290 nan 0.000 0.654 534 S N 0.170 115.853 115.700 -0.027 0.000 2.544 534 S HA 0.497 4.966 4.470 -0.001 0.000 0.290 534 S C 1.832 176.436 174.600 0.007 0.000 1.276 534 S CA 2.059 60.276 58.200 0.028 0.000 1.075 534 S CB 0.058 63.313 63.200 0.091 0.000 0.849 534 S HN 2.671 nan 8.310 nan 0.000 0.494 535 G N 2.895 111.700 108.800 0.008 0.000 2.179 535 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.260 535 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.260 535 G C 0.586 175.464 174.900 -0.035 0.000 0.977 535 G CA 0.367 45.464 45.100 -0.005 0.000 0.641 535 G HN 0.809 nan 8.290 nan 0.000 0.533 536 V N -0.496 119.378 119.914 -0.067 0.000 2.627 536 V HA 0.425 4.544 4.120 -0.001 0.000 0.239 536 V C 0.872 176.905 176.094 -0.101 0.000 1.077 536 V CA 1.730 63.973 62.300 -0.095 0.000 1.103 536 V CB 0.803 32.536 31.823 -0.150 0.000 0.802 536 V HN 0.463 nan 8.190 nan 0.000 0.482 537 E N 0.286 120.415 120.200 -0.118 0.000 2.290 537 E HA 0.186 4.535 4.350 -0.001 0.000 0.274 537 E C -1.576 174.989 176.600 -0.059 0.000 0.889 537 E CA -0.506 55.836 56.400 -0.096 0.000 0.760 537 E CB 1.810 31.425 29.700 -0.142 0.000 1.206 537 E HN 0.187 nan 8.360 nan 0.000 0.419 538 D N 3.017 123.404 120.400 -0.022 0.000 2.619 538 D HA 0.056 4.695 4.640 -0.001 0.000 0.224 538 D C 0.268 176.573 176.300 0.007 0.000 1.133 538 D CA 0.165 54.174 54.000 0.014 0.000 1.017 538 D CB 0.152 40.969 40.800 0.028 0.000 1.077 538 D HN 0.376 nan 8.370 nan 0.000 0.503 539 S N 1.638 117.329 115.700 -0.015 0.000 2.578 539 S HA 0.206 4.676 4.470 -0.001 0.000 0.228 539 S C 0.898 175.486 174.600 -0.020 0.000 1.022 539 S CA -0.512 57.673 58.200 -0.024 0.000 0.967 539 S CB 0.507 63.676 63.200 -0.052 0.000 0.914 539 S HN 0.182 nan 8.310 nan 0.000 0.515 540 R N 2.935 123.421 120.500 -0.023 0.000 2.491 540 R HA 0.318 4.658 4.340 -0.001 0.000 0.283 540 R C 0.160 176.482 176.300 0.036 0.000 1.072 540 R CA 0.384 56.447 56.100 -0.061 0.000 1.048 540 R CB 0.626 30.767 30.300 -0.265 0.000 0.983 540 R HN 0.503 nan 8.270 nan 0.000 0.450 541 T N -0.489 114.089 114.554 0.039 0.000 2.889 541 T HA 0.184 4.534 4.350 -0.001 0.000 0.291 541 T C 0.270 175.068 174.700 0.164 0.000 0.995 541 T CA -0.730 61.424 62.100 0.090 0.000 1.092 541 T CB 1.410 70.320 68.868 0.070 0.000 0.954 541 T HN 0.343 nan 8.240 nan 0.000 0.506 542 T N 3.878 118.541 114.554 0.181 0.000 2.817 542 T HA 0.379 4.728 4.350 -0.001 0.000 0.293 542 T C 0.507 175.313 174.700 0.177 0.000 0.964 542 T CA -0.518 61.714 62.100 0.219 0.000 1.085 542 T CB 0.213 69.175 68.868 0.157 0.000 0.921 542 T HN 0.583 nan 8.240 nan 0.000 0.502 543 I N 4.003 124.698 120.570 0.208 0.000 2.421 543 I HA 0.194 4.363 4.170 -0.001 0.000 0.291 543 I C 0.169 176.374 176.117 0.147 0.000 1.089 543 I CA -0.005 61.397 61.300 0.170 0.000 1.354 543 I CB 0.190 38.294 38.000 0.173 0.000 1.413 543 I HN 0.448 nan 8.210 nan 0.000 0.513 544 I N 8.090 128.732 120.570 0.120 0.000 2.297 544 I HA 0.321 4.490 4.170 -0.001 0.000 0.291 544 I C -0.186 175.994 176.117 0.104 0.000 1.033 544 I CA -0.207 61.155 61.300 0.104 0.000 1.253 544 I CB 0.493 38.541 38.000 0.080 0.000 1.396 544 I HN 0.385 nan 8.210 nan 0.000 0.476 545 L N 5.780 127.068 121.223 0.109 0.000 2.333 545 L HA 0.956 5.295 4.340 -0.001 0.000 0.269 545 L C 0.154 177.083 176.870 0.098 0.000 1.010 545 L CA -0.688 54.215 54.840 0.107 0.000 0.818 545 L CB 2.184 44.312 42.059 0.116 0.000 1.306 545 L HN 0.696 nan 8.230 nan 0.000 0.430 546 G N 0.047 108.901 108.800 0.090 0.000 2.404 546 G HA2 0.095 4.055 3.960 -0.001 0.000 0.298 546 G HA3 0.095 4.055 3.960 -0.001 0.000 0.298 546 G C -0.233 174.710 174.900 0.072 0.000 1.577 546 G CA -0.459 44.691 45.100 0.082 0.000 0.847 546 G HN 0.687 nan 8.290 nan 0.000 0.598 547 E N -0.285 119.955 120.200 0.067 0.000 2.153 547 E HA -0.129 4.220 4.350 -0.001 0.000 0.194 547 E C 0.668 177.298 176.600 0.049 0.000 0.988 547 E CA 1.338 57.772 56.400 0.056 0.000 0.811 547 E CB 0.154 29.884 29.700 0.049 0.000 0.746 547 E HN 0.425 nan 8.360 nan 0.000 0.466 548 D N -0.199 120.230 120.400 0.048 0.000 2.342 548 D HA 0.107 4.746 4.640 -0.001 0.000 0.221 548 D C 1.154 177.480 176.300 0.044 0.000 1.101 548 D CA 0.130 54.155 54.000 0.042 0.000 0.837 548 D CB 0.857 41.679 40.800 0.037 0.000 0.938 548 D HN 0.334 nan 8.370 nan 0.000 0.508 549 I N -0.947 119.654 120.570 0.052 0.000 4.079 549 I HA 0.130 4.299 4.170 -0.001 0.000 0.276 549 I C -1.317 174.838 176.117 0.063 0.000 1.146 549 I CA 0.054 61.386 61.300 0.054 0.000 1.324 549 I CB 1.257 39.289 38.000 0.054 0.000 1.638 549 I HN -0.175 nan 8.210 nan 0.000 0.436 550 L N 1.423 122.690 121.223 0.072 0.000 2.830 550 L HA 0.460 4.799 4.340 -0.001 0.000 0.259 550 L C -2.606 174.319 176.870 0.091 0.000 0.943 550 L CA -0.823 54.069 54.840 0.086 0.000 0.997 550 L CB 1.531 43.648 42.059 0.096 0.000 1.427 550 L HN -0.172 nan 8.230 nan 0.000 0.456 551 P HA 0.108 nan 4.420 nan 0.000 0.222 551 P C -0.459 176.900 177.300 0.098 0.000 1.153 551 P CA 0.897 64.049 63.100 0.087 0.000 0.798 551 P CB 0.339 32.084 31.700 0.075 0.000 0.796 552 S N -2.691 113.080 115.700 0.118 0.000 2.625 552 S HA 0.744 5.213 4.470 -0.001 0.000 0.271 552 S C -1.350 173.360 174.600 0.183 0.000 1.161 552 S CA -0.761 57.517 58.200 0.130 0.000 0.820 552 S CB 2.272 65.544 63.200 0.120 0.000 1.137 552 S HN -0.177 nan 8.310 nan 0.000 0.470 553 K N 0.590 121.107 120.400 0.195 0.000 2.535 553 K HA 0.563 4.882 4.320 -0.001 0.000 0.251 553 K C -2.008 174.776 176.600 0.307 0.000 0.942 553 K CA -0.238 56.210 56.287 0.269 0.000 0.798 553 K CB 0.915 33.529 32.500 0.190 0.000 1.267 553 K HN 0.839 nan 8.250 nan 0.000 0.434 554 H N 0.964 120.184 119.070 0.251 0.000 2.610 554 H HA 0.433 4.988 4.556 -0.001 0.000 0.336 554 H C -0.197 175.367 175.328 0.393 0.000 1.087 554 H CA -0.096 56.148 56.048 0.327 0.000 1.405 554 H CB 0.970 31.009 29.762 0.461 0.000 1.460 554 H HN 0.399 nan 8.280 nan 0.000 0.538 555 V N 1.095 121.263 119.914 0.424 0.000 2.914 555 V HA 0.779 4.898 4.120 -0.001 0.000 0.314 555 V C -0.691 175.743 176.094 0.567 0.000 1.084 555 V CA -0.872 61.682 62.300 0.425 0.000 0.963 555 V CB 2.102 33.920 31.823 -0.008 0.000 1.025 555 V HN 0.455 nan 8.190 nan 0.000 0.432 556 V N 3.940 124.216 119.914 0.603 0.000 2.709 556 V HA 0.629 4.749 4.120 -0.001 0.000 0.308 556 V C -0.470 175.988 176.094 0.608 0.000 1.062 556 V CA -0.375 62.244 62.300 0.530 0.000 0.901 556 V CB 1.859 33.847 31.823 0.274 0.000 1.003 556 V HN 0.945 nan 8.190 nan 0.000 0.425 557 M N 4.085 124.013 119.600 0.546 0.000 2.336 557 M HA 0.487 4.966 4.480 -0.001 0.000 0.342 557 M C -0.486 176.098 176.300 0.473 0.000 1.128 557 M CA -0.239 55.359 55.300 0.497 0.000 1.016 557 M CB 1.176 34.008 32.600 0.386 0.000 1.665 557 M HN 0.745 nan 8.290 nan 0.000 0.445 558 H N 2.015 121.325 119.070 0.401 0.000 2.472 558 H HA 0.481 5.036 4.556 -0.001 0.000 0.338 558 H C -1.312 174.160 175.328 0.240 0.000 1.133 558 H CA -0.569 55.678 56.048 0.332 0.000 1.216 558 H CB 1.168 31.201 29.762 0.451 0.000 1.497 558 H HN 0.642 nan 8.280 nan 0.000 0.500 559 N N 3.028 121.501 118.700 -0.378 0.000 2.524 559 N HA 0.036 4.776 4.740 -0.001 0.000 0.261 559 N C 0.274 175.453 175.510 -0.551 0.000 0.998 559 N CA -0.314 52.526 53.050 -0.350 0.000 0.915 559 N CB 1.618 40.004 38.487 -0.169 0.000 1.187 559 N HN 0.638 nan 8.380 nan 0.000 0.507 560 T N 2.885 117.176 114.554 -0.438 0.000 3.085 560 T HA 0.182 4.532 4.350 -0.001 0.000 0.263 560 T C 0.685 175.349 174.700 -0.061 0.000 1.127 560 T CA 0.471 62.472 62.100 -0.164 0.000 1.103 560 T CB -0.219 68.695 68.868 0.077 0.000 0.921 560 T HN 0.414 nan 8.240 nan 0.000 0.510 561 L N 2.735 123.868 121.223 -0.151 0.000 2.395 561 L HA 0.326 4.665 4.340 -0.001 0.000 0.269 561 L C -1.624 175.100 176.870 -0.243 0.000 1.133 561 L CA -1.982 52.731 54.840 -0.212 0.000 0.812 561 L CB 0.765 42.558 42.059 -0.443 0.000 1.125 561 L HN -0.050 nan 8.230 nan 0.000 0.452 562 P HA 0.058 nan 4.420 nan 0.000 0.243 562 P C -0.968 176.349 177.300 0.028 0.000 1.668 562 P CA 0.307 63.393 63.100 -0.023 0.000 0.898 562 P CB -0.350 31.393 31.700 0.071 0.000 1.637 563 H N -3.198 115.890 119.070 0.030 0.000 3.012 563 H HA 0.245 4.801 4.556 -0.001 0.000 0.367 563 H C -1.037 174.315 175.328 0.040 0.000 1.211 563 H CA -1.085 55.002 56.048 0.064 0.000 1.139 563 H CB 0.031 29.861 29.762 0.114 0.000 1.838 563 H HN -0.132 nan 8.280 nan 0.000 0.550 564 W N 1.669 123.091 121.300 0.202 0.000 2.257 564 W HA 0.222 4.881 4.660 -0.001 0.000 0.337 564 W C 0.805 177.440 176.519 0.192 0.000 1.321 564 W CA 0.417 57.846 57.345 0.140 0.000 1.267 564 W CB 0.435 29.963 29.460 0.113 0.000 1.187 564 W HN 0.494 nan 8.180 nan 0.000 0.565 565 R N 2.176 122.888 120.500 0.355 0.000 2.621 565 R HA 0.293 4.632 4.340 -0.001 0.000 0.284 565 R C -0.931 175.516 176.300 0.244 0.000 0.998 565 R CA -0.642 55.618 56.100 0.268 0.000 0.895 565 R CB 1.355 31.739 30.300 0.140 0.000 1.195 565 R HN 0.474 nan 8.270 nan 0.000 0.450 566 E N 2.304 122.621 120.200 0.195 0.000 2.202 566 E HA 0.271 4.620 4.350 -0.001 0.000 0.272 566 E C -1.186 175.466 176.600 0.088 0.000 0.951 566 E CA -0.773 55.716 56.400 0.148 0.000 0.813 566 E CB 2.297 32.076 29.700 0.130 0.000 1.151 566 E HN 0.381 nan 8.360 nan 0.000 0.398 567 Q N 2.791 122.619 119.800 0.046 0.000 2.403 567 Q HA 0.218 4.558 4.340 -0.001 0.000 0.267 567 Q C -1.563 174.399 176.000 -0.063 0.000 0.991 567 Q CA -0.548 55.253 55.803 -0.004 0.000 0.906 567 Q CB 1.358 30.085 28.738 -0.019 0.000 1.422 567 Q HN 0.557 nan 8.270 nan 0.000 0.400 568 L N 3.247 124.427 121.223 -0.071 0.000 2.453 568 L HA 0.318 4.657 4.340 -0.001 0.000 0.272 568 L C 0.273 177.012 176.870 -0.219 0.000 1.182 568 L CA -0.223 54.536 54.840 -0.135 0.000 0.858 568 L CB 0.532 42.547 42.059 -0.073 0.000 1.120 568 L HN 0.483 nan 8.230 nan 0.000 0.474 569 V N -0.421 119.258 119.914 -0.393 0.000 2.914 569 V HA 0.720 4.839 4.120 -0.001 0.000 0.314 569 V C -0.930 174.888 176.094 -0.460 0.000 1.084 569 V CA -0.851 61.172 62.300 -0.462 0.000 0.963 569 V CB 2.184 33.683 31.823 -0.540 0.000 1.025 569 V HN 0.807 nan 8.190 nan 0.000 0.432 570 D N 1.370 121.496 120.400 -0.457 0.000 2.732 570 D HA 0.610 5.249 4.640 -0.001 0.000 0.229 570 D C -1.465 174.541 176.300 -0.489 0.000 1.152 570 D CA -0.339 53.508 54.000 -0.254 0.000 0.854 570 D CB 2.462 43.207 40.800 -0.092 0.000 1.590 570 D HN 0.445 nan 8.370 nan 0.000 0.468 571 F N -0.056 119.956 119.950 0.104 0.000 2.603 571 F HA 0.363 4.890 4.527 -0.001 0.000 0.317 571 F C -0.544 175.418 175.800 0.270 0.000 1.066 571 F CA -1.016 57.058 58.000 0.123 0.000 0.941 571 F CB 1.549 40.667 39.000 0.197 0.000 1.291 571 F HN 0.170 nan 8.300 nan 0.000 0.472 572 Y N 1.996 122.457 120.300 0.269 0.000 2.304 572 Y HA 0.570 5.119 4.550 -0.001 0.000 0.328 572 Y C 0.168 176.192 175.900 0.207 0.000 1.123 572 Y CA -1.503 56.704 58.100 0.179 0.000 1.218 572 Y CB 0.975 39.491 38.460 0.094 0.000 1.207 572 Y HN 0.337 nan 8.280 nan 0.000 0.495 573 V N -0.403 119.714 119.914 0.338 0.000 3.040 573 V HA 0.566 4.685 4.120 -0.001 0.000 0.312 573 V C 0.355 176.587 176.094 0.231 0.000 1.115 573 V CA -0.761 61.699 62.300 0.267 0.000 0.998 573 V CB 1.693 33.674 31.823 0.263 0.000 1.042 573 V HN 0.664 nan 8.190 nan 0.000 0.433 574 S N 0.132 115.948 115.700 0.194 0.000 2.593 574 S HA 0.256 4.725 4.470 -0.001 0.000 0.217 574 S C 0.671 175.423 174.600 0.252 0.000 0.966 574 S CA 0.489 58.792 58.200 0.172 0.000 0.914 574 S CB -0.240 63.030 63.200 0.118 0.000 0.776 574 S HN 1.469 nan 8.310 nan 0.000 0.523 575 S N 1.117 116.968 115.700 0.252 0.000 2.546 575 S HA 0.592 5.061 4.470 -0.001 0.000 0.274 575 S C -2.661 171.859 174.600 -0.133 0.000 1.121 575 S CA -1.367 56.867 58.200 0.056 0.000 0.887 575 S CB 1.905 65.135 63.200 0.050 0.000 1.094 575 S HN 0.002 nan 8.310 nan 0.000 0.474 576 P HA 0.197 nan 4.420 nan 0.000 0.236 576 P C -0.169 177.011 177.300 -0.199 0.000 1.177 576 P CA 0.362 63.114 63.100 -0.579 0.000 0.773 576 P CB -0.169 30.896 31.700 -1.057 0.000 0.878 577 F N 0.770 120.740 119.950 0.032 0.000 2.509 577 F HA 0.251 4.778 4.527 -0.001 0.000 0.344 577 F C 0.502 176.351 175.800 0.082 0.000 1.197 577 F CA -1.146 56.900 58.000 0.077 0.000 1.294 577 F CB -0.274 38.736 39.000 0.017 0.000 1.643 577 F HN -0.328 nan 8.300 nan 0.000 0.596 578 V N 0.939 120.995 119.914 0.235 0.000 2.656 578 V HA 0.685 4.804 4.120 -0.001 0.000 0.307 578 V C -0.283 175.882 176.094 0.118 0.000 1.051 578 V CA -0.842 61.553 62.300 0.158 0.000 0.893 578 V CB 2.285 34.194 31.823 0.142 0.000 0.999 578 V HN 0.494 nan 8.190 nan 0.000 0.426 579 S N 2.957 118.706 115.700 0.082 0.000 2.599 579 S HA 0.891 5.360 4.470 -0.001 0.000 0.294 579 S C -1.012 173.572 174.600 -0.025 0.000 1.094 579 S CA -0.800 57.427 58.200 0.045 0.000 0.931 579 S CB 2.081 65.327 63.200 0.076 0.000 1.093 579 S HN 0.445 nan 8.310 nan 0.000 0.488 580 V N 1.904 121.764 119.914 -0.090 0.000 2.581 580 V HA 0.812 4.931 4.120 -0.001 0.000 0.303 580 V C 0.123 176.131 176.094 -0.143 0.000 1.041 580 V CA -0.420 61.746 62.300 -0.222 0.000 0.907 580 V CB 1.569 33.058 31.823 -0.556 0.000 0.994 580 V HN 1.207 nan 8.190 nan 0.000 0.442 581 T N -0.529 113.959 114.554 -0.110 0.000 2.906 581 T HA 0.641 4.990 4.350 -0.001 0.000 0.295 581 T C -0.809 173.870 174.700 -0.034 0.000 1.075 581 T CA -0.905 61.153 62.100 -0.069 0.000 1.005 581 T CB 2.055 70.874 68.868 -0.082 0.000 1.136 581 T HN 0.717 nan 8.240 nan 0.000 0.498 582 D N 0.477 120.828 120.400 -0.082 0.000 2.478 582 D HA 0.192 4.831 4.640 -0.001 0.000 0.269 582 D C 0.945 177.097 176.300 -0.246 0.000 1.232 582 D CA -1.202 52.624 54.000 -0.291 0.000 1.059 582 D CB 0.384 41.019 40.800 -0.275 0.000 1.104 582 D HN 0.447 nan 8.370 nan 0.000 0.566 583 L N -0.803 120.258 121.223 -0.269 0.000 2.599 583 L HA 0.132 4.471 4.340 -0.001 0.000 0.230 583 L C 1.597 178.388 176.870 -0.132 0.000 1.141 583 L CA 0.373 55.100 54.840 -0.188 0.000 0.877 583 L CB -0.313 41.641 42.059 -0.175 0.000 1.009 583 L HN 0.568 nan 8.230 nan 0.000 0.447 584 A N -0.781 121.967 122.820 -0.120 0.000 2.337 584 A HA 0.000 4.319 4.320 -0.001 0.000 0.227 584 A C 1.057 178.595 177.584 -0.077 0.000 1.259 584 A CA 0.257 52.242 52.037 -0.087 0.000 0.870 584 A CB -0.309 18.647 19.000 -0.073 0.000 0.927 584 A HN 0.558 nan 8.150 nan 0.000 0.497 585 N N -0.308 118.339 118.700 -0.089 0.000 2.850 585 N HA -0.140 4.600 4.740 -0.001 0.000 0.249 585 N C -1.007 174.460 175.510 -0.072 0.000 1.060 585 N CA 0.868 53.873 53.050 -0.074 0.000 0.825 585 N CB -1.880 36.575 38.487 -0.055 0.000 1.132 585 N HN 0.550 nan 8.380 nan 0.000 0.564 586 N N 1.138 119.791 118.700 -0.077 0.000 2.497 586 N HA 0.235 4.975 4.740 -0.001 0.000 0.271 586 N C -2.476 172.969 175.510 -0.108 0.000 1.142 586 N CA -0.708 52.293 53.050 -0.082 0.000 0.965 586 N CB 0.549 38.998 38.487 -0.063 0.000 1.077 586 N HN 0.250 nan 8.380 nan 0.000 0.462 587 P HA 0.095 nan 4.420 nan 0.000 0.269 587 P C -0.469 176.701 177.300 -0.217 0.000 1.209 587 P CA -0.141 62.786 63.100 -0.287 0.000 0.776 587 P CB 0.745 32.000 31.700 -0.742 0.000 0.876 588 V N 2.879 122.711 119.914 -0.138 0.000 2.540 588 V HA 0.194 4.313 4.120 -0.001 0.000 0.302 588 V C 0.237 176.327 176.094 -0.006 0.000 1.035 588 V CA -0.815 61.463 62.300 -0.037 0.000 0.873 588 V CB 1.616 33.439 31.823 0.001 0.000 0.992 588 V HN 0.445 nan 8.190 nan 0.000 0.428 589 E N 3.026 123.261 120.200 0.058 0.000 2.414 589 E HA 0.513 4.862 4.350 -0.001 0.000 0.263 589 E C 0.059 176.732 176.600 0.121 0.000 1.000 589 E CA 0.195 56.660 56.400 0.109 0.000 0.914 589 E CB 1.494 31.261 29.700 0.112 0.000 0.948 589 E HN 0.839 nan 8.360 nan 0.000 0.444 590 A N 2.816 125.697 122.820 0.101 0.000 2.566 590 A HA 0.520 4.839 4.320 -0.001 0.000 0.292 590 A C -0.958 176.649 177.584 0.039 0.000 1.112 590 A CA -0.687 51.420 52.037 0.118 0.000 0.707 590 A CB 1.923 20.989 19.000 0.110 0.000 1.302 590 A HN 0.532 nan 8.150 nan 0.000 0.409 591 Q N 0.829 120.661 119.800 0.054 0.000 2.356 591 Q HA 0.666 5.005 4.340 -0.001 0.000 0.270 591 Q C -2.012 173.993 176.000 0.008 0.000 1.058 591 Q CA -0.561 55.234 55.803 -0.014 0.000 0.802 591 Q CB 2.200 30.965 28.738 0.046 0.000 1.303 591 Q HN 0.585 nan 8.270 nan 0.000 0.444 592 V N 2.518 122.377 119.914 -0.091 0.000 2.513 592 V HA 0.597 4.717 4.120 -0.001 0.000 0.299 592 V C -0.581 175.706 176.094 0.322 0.000 1.035 592 V CA -0.344 62.016 62.300 0.101 0.000 0.889 592 V CB 1.898 33.751 31.823 0.051 0.000 0.988 592 V HN 0.861 nan 8.190 nan 0.000 0.440 593 S N 4.863 120.776 115.700 0.354 0.000 2.632 593 S HA 0.697 5.166 4.470 -0.001 0.000 0.289 593 S C -2.799 171.857 174.600 0.093 0.000 1.115 593 S CA -1.184 57.196 58.200 0.300 0.000 0.889 593 S CB 2.444 65.771 63.200 0.212 0.000 1.116 593 S HN 0.542 nan 8.310 nan 0.000 0.486 594 P HA 0.279 nan 4.420 nan 0.000 0.274 594 P C -1.173 175.804 177.300 -0.539 0.000 1.256 594 P CA -0.524 62.192 63.100 -0.639 0.000 0.795 594 P CB 0.381 31.308 31.700 -1.288 0.000 1.038 595 V N 1.472 120.997 119.914 -0.649 0.000 2.333 595 V HA 0.219 4.338 4.120 -0.001 0.000 0.274 595 V C -0.596 175.198 176.094 -0.501 0.000 1.028 595 V CA -0.198 61.803 62.300 -0.498 0.000 0.851 595 V CB -0.206 31.224 31.823 -0.654 0.000 1.000 595 V HN 0.521 nan 8.190 nan 0.000 0.456 596 W N 3.509 124.716 121.300 -0.155 0.000 2.478 596 W HA 0.634 5.293 4.660 -0.001 0.000 0.318 596 W C 0.369 176.797 176.519 -0.152 0.000 1.062 596 W CA -0.425 56.809 57.345 -0.184 0.000 1.210 596 W CB 1.946 31.306 29.460 -0.167 0.000 1.325 596 W HN 0.579 nan 8.180 nan 0.000 0.496 597 S N 1.589 117.299 115.700 0.017 0.000 2.526 597 S HA 0.595 5.064 4.470 -0.001 0.000 0.293 597 S C -1.415 172.933 174.600 -0.421 0.000 1.092 597 S CA -0.935 57.197 58.200 -0.114 0.000 0.980 597 S CB 1.153 64.266 63.200 -0.146 0.000 1.048 597 S HN 0.418 nan 8.310 nan 0.000 0.483 598 W N 1.801 122.859 121.300 -0.404 0.000 2.469 598 W HA 0.532 5.191 4.660 -0.001 0.000 0.320 598 W C 0.260 176.428 176.519 -0.586 0.000 1.086 598 W CA -0.148 56.963 57.345 -0.390 0.000 1.211 598 W CB 0.948 30.294 29.460 -0.192 0.000 1.298 598 W HN 0.630 nan 8.180 nan 0.000 0.525 599 H N 1.523 120.606 119.070 0.020 0.000 2.589 599 H HA 0.116 4.671 4.556 -0.001 0.000 0.351 599 H C -0.983 174.318 175.328 -0.043 0.000 1.074 599 H CA -1.044 54.963 56.048 -0.068 0.000 1.203 599 H CB 1.622 31.256 29.762 -0.212 0.000 1.558 599 H HN 0.398 nan 8.280 nan 0.000 0.522 600 H N 2.279 121.400 119.070 0.085 0.000 2.846 600 H HA 0.054 4.610 4.556 -0.001 0.000 0.278 600 H C -0.472 174.893 175.328 0.062 0.000 1.117 600 H CA -0.267 55.820 56.048 0.064 0.000 1.406 600 H CB 0.237 30.030 29.762 0.052 0.000 1.445 600 H HN 0.415 nan 8.280 nan 0.000 0.469 601 D N 3.610 123.819 120.400 -0.319 0.000 2.352 601 D HA -0.028 4.611 4.640 -0.001 0.000 0.245 601 D C 0.959 176.997 176.300 -0.437 0.000 1.224 601 D CA 0.135 54.010 54.000 -0.209 0.000 0.879 601 D CB 0.720 41.594 40.800 0.123 0.000 1.057 601 D HN 0.782 nan 8.370 nan 0.000 0.491 602 T N 1.323 115.685 114.554 -0.321 0.000 3.085 602 T HA -0.052 4.297 4.350 -0.001 0.000 0.263 602 T C 1.803 176.448 174.700 -0.093 0.000 1.127 602 T CA -0.025 61.945 62.100 -0.218 0.000 1.103 602 T CB 0.185 69.014 68.868 -0.064 0.000 0.921 602 T HN 0.217 nan 8.240 nan 0.000 0.510 603 L N 2.570 123.750 121.223 -0.072 0.000 2.034 603 L HA 0.085 4.424 4.340 -0.001 0.000 0.203 603 L C 3.007 179.862 176.870 -0.024 0.000 1.074 603 L CA 2.311 57.131 54.840 -0.033 0.000 0.748 603 L CB -1.770 40.276 42.059 -0.022 0.000 0.905 603 L HN 0.563 nan 8.230 nan 0.000 0.439 604 T N -3.951 110.590 114.554 -0.021 0.000 3.081 604 T HA -0.010 4.339 4.350 -0.001 0.000 0.255 604 T C 0.733 175.441 174.700 0.013 0.000 1.113 604 T CA -0.159 61.938 62.100 -0.005 0.000 1.082 604 T CB 0.090 68.955 68.868 -0.005 0.000 0.939 604 T HN 0.132 nan 8.240 nan 0.000 0.506 605 K N 2.010 122.402 120.400 -0.013 0.000 3.125 605 K HA -0.122 4.197 4.320 -0.001 0.000 0.268 605 K C 0.097 176.778 176.600 0.135 0.000 1.078 605 K CA 1.236 57.556 56.287 0.055 0.000 0.775 605 K CB -2.915 29.638 32.500 0.088 0.000 1.253 605 K HN 0.876 nan 8.250 nan 0.000 0.486 606 T N -2.754 111.874 114.554 0.124 0.000 2.901 606 T HA 0.817 5.166 4.350 -0.001 0.000 0.293 606 T C 0.256 175.147 174.700 0.320 0.000 1.084 606 T CA -1.065 61.171 62.100 0.226 0.000 1.008 606 T CB 2.287 71.279 68.868 0.206 0.000 1.170 606 T HN 0.146 nan 8.240 nan 0.000 0.509 607 I N 3.005 123.781 120.570 0.343 0.000 2.355 607 I HA 0.538 4.708 4.170 -0.001 0.000 0.288 607 I C -0.382 176.014 176.117 0.464 0.000 0.999 607 I CA -0.723 60.791 61.300 0.356 0.000 1.163 607 I CB 0.788 38.960 38.000 0.286 0.000 1.316 607 I HN 0.945 nan 8.210 nan 0.000 0.454 608 H N 5.793 125.045 119.070 0.302 0.000 3.016 608 H HA 0.664 5.219 4.556 -0.001 0.000 0.362 608 H C -3.190 171.937 175.328 -0.335 0.000 1.233 608 H CA -2.368 53.697 56.048 0.028 0.000 1.124 608 H CB 1.854 31.620 29.762 0.008 0.000 1.850 608 H HN 0.157 nan 8.280 nan 0.000 0.549 609 P HA 0.228 nan 4.420 nan 0.000 0.290 609 P C -1.006 176.226 177.300 -0.113 0.000 1.275 609 P CA -0.659 61.899 63.100 -0.904 0.000 0.841 609 P CB 1.826 32.618 31.700 -1.514 0.000 1.042 610 Q N 0.695 120.521 119.800 0.044 0.000 2.365 610 Q HA 0.597 4.936 4.340 -0.001 0.000 0.269 610 Q C 0.105 176.186 176.000 0.135 0.000 1.061 610 Q CA -0.505 55.422 55.803 0.207 0.000 0.816 610 Q CB 2.631 31.520 28.738 0.252 0.000 1.325 610 Q HN 0.612 nan 8.270 nan 0.000 0.446 611 G N 0.509 109.259 108.800 -0.084 0.000 2.371 611 G HA2 0.369 4.328 3.960 -0.001 0.000 0.326 611 G HA3 0.369 4.328 3.960 -0.001 0.000 0.326 611 G C -0.387 174.262 174.900 -0.418 0.000 1.127 611 G CA -0.326 44.392 45.100 -0.637 0.000 0.885 611 G HN 0.428 nan 8.290 nan 0.000 0.477 612 S N -0.506 114.892 115.700 -0.504 0.000 2.576 612 S HA 0.308 4.777 4.470 -0.001 0.000 0.276 612 S C 1.604 175.952 174.600 -0.418 0.000 1.339 612 S CA 0.291 58.237 58.200 -0.423 0.000 1.039 612 S CB 0.731 63.616 63.200 -0.525 0.000 0.902 612 S HN 0.906 nan 8.310 nan 0.000 0.516 613 T N -0.161 114.226 114.554 -0.279 0.000 3.069 613 T HA 0.139 4.488 4.350 -0.001 0.000 0.252 613 T C 1.155 175.760 174.700 -0.157 0.000 1.053 613 T CA 0.495 62.497 62.100 -0.163 0.000 0.964 613 T CB -0.171 68.654 68.868 -0.072 0.000 1.005 613 T HN 0.687 nan 8.240 nan 0.000 0.532 614 T N -1.216 113.150 114.554 -0.314 0.000 2.958 614 T HA 0.328 4.678 4.350 -0.001 0.000 0.256 614 T C 0.274 174.749 174.700 -0.375 0.000 0.983 614 T CA -0.472 61.491 62.100 -0.228 0.000 0.924 614 T CB 0.085 68.871 68.868 -0.136 0.000 1.136 614 T HN 0.653 nan 8.240 nan 0.000 0.506 615 K N -0.136 119.810 120.400 -0.757 0.000 2.482 615 K HA 0.685 5.005 4.320 -0.001 0.000 0.257 615 K C -2.053 173.834 176.600 -1.188 0.000 0.969 615 K CA -1.058 54.801 56.287 -0.713 0.000 0.842 615 K CB 1.748 34.005 32.500 -0.405 0.000 1.359 615 K HN 0.117 nan 8.250 nan 0.000 0.441 616 Y N -0.328 119.884 120.300 -0.147 0.000 2.588 616 Y HA 0.459 5.008 4.550 -0.001 0.000 0.343 616 Y C -0.478 175.430 175.900 0.015 0.000 1.065 616 Y CA -1.130 56.917 58.100 -0.089 0.000 1.038 616 Y CB 2.355 40.835 38.460 0.033 0.000 1.297 616 Y HN 0.368 nan 8.280 nan 0.000 0.467 617 R N 1.769 122.398 120.500 0.215 0.000 2.294 617 R HA 0.594 4.933 4.340 -0.001 0.000 0.319 617 R C -1.254 175.222 176.300 0.294 0.000 0.984 617 R CA -0.660 55.617 56.100 0.295 0.000 0.861 617 R CB 1.639 32.088 30.300 0.248 0.000 1.104 617 R HN 0.666 nan 8.270 nan 0.000 0.451 618 I N 4.279 125.046 120.570 0.328 0.000 2.441 618 I HA 0.440 4.609 4.170 -0.001 0.000 0.295 618 I C -1.076 175.236 176.117 0.325 0.000 0.994 618 I CA -0.770 60.715 61.300 0.309 0.000 1.144 618 I CB 1.109 39.306 38.000 0.328 0.000 1.314 618 I HN 0.537 nan 8.210 nan 0.000 0.445 619 I N 8.013 128.743 120.570 0.267 0.000 2.582 619 I HA 0.525 4.695 4.170 -0.001 0.000 0.292 619 I C -1.048 175.221 176.117 0.254 0.000 1.066 619 I CA -0.506 60.893 61.300 0.166 0.000 1.053 619 I CB 1.759 39.817 38.000 0.097 0.000 1.241 619 I HN 0.513 nan 8.210 nan 0.000 0.421 620 F N 2.559 122.537 119.950 0.046 0.000 2.713 620 F HA 0.580 5.107 4.527 -0.001 0.000 0.311 620 F C -1.113 174.672 175.800 -0.025 0.000 1.141 620 F CA -1.282 56.723 58.000 0.008 0.000 0.939 620 F CB 1.312 40.306 39.000 -0.011 0.000 1.325 620 F HN 0.205 nan 8.300 nan 0.000 0.453 621 K N 1.912 122.408 120.400 0.160 0.000 2.276 621 K HA 0.732 5.052 4.320 -0.001 0.000 0.285 621 K C -0.682 175.969 176.600 0.084 0.000 1.062 621 K CA -0.347 55.972 56.287 0.053 0.000 0.918 621 K CB 0.925 33.486 32.500 0.102 0.000 1.055 621 K HN 0.921 nan 8.250 nan 0.000 0.477 622 A N 4.680 127.462 122.820 -0.064 0.000 2.301 622 A HA 0.393 4.712 4.320 -0.001 0.000 0.312 622 A C -0.657 177.063 177.584 0.228 0.000 1.182 622 A CA -0.680 51.377 52.037 0.035 0.000 0.826 622 A CB 0.664 19.644 19.000 -0.033 0.000 1.134 622 A HN 0.866 nan 8.150 nan 0.000 0.501 623 R N 2.342 123.091 120.500 0.414 0.000 2.310 623 R HA 0.593 4.932 4.340 -0.001 0.000 0.324 623 R C -1.803 174.774 176.300 0.461 0.000 0.955 623 R CA -0.211 56.128 56.100 0.398 0.000 0.830 623 R CB 1.118 31.632 30.300 0.357 0.000 1.154 623 R HN 0.494 nan 8.270 nan 0.000 0.458 624 V N 6.434 126.577 119.914 0.382 0.000 2.588 624 V HA 0.441 4.561 4.120 -0.001 0.000 0.304 624 V C -2.248 173.756 176.094 -0.150 0.000 1.042 624 V CA -2.327 60.084 62.300 0.185 0.000 0.877 624 V CB 1.882 33.788 31.823 0.138 0.000 0.996 624 V HN 0.782 nan 8.190 nan 0.000 0.425 625 P HA 0.224 nan 4.420 nan 0.000 0.271 625 P C -2.743 174.078 177.300 -0.797 0.000 1.233 625 P CA -1.435 60.787 63.100 -1.463 0.000 0.789 625 P CB -0.263 30.785 31.700 -1.086 0.000 0.951 626 P HA 0.065 nan 4.420 nan 0.000 0.264 626 P C 0.135 177.396 177.300 -0.066 0.000 1.193 626 P CA 0.693 63.603 63.100 -0.317 0.000 0.763 626 P CB -0.287 31.293 31.700 -0.199 0.000 0.810 627 M N 0.324 119.925 119.600 0.001 0.000 2.253 627 M HA -0.214 4.265 4.480 -0.001 0.000 0.199 627 M C 0.576 177.085 176.300 0.348 0.000 0.342 627 M CA 1.003 56.445 55.300 0.237 0.000 0.417 627 M CB -2.071 30.756 32.600 0.378 0.000 1.338 627 M HN 0.578 nan 8.290 nan 0.000 0.920 628 G N -0.166 108.694 108.800 0.100 0.000 3.105 628 G HA2 0.935 4.894 3.960 -0.001 0.000 0.277 628 G HA3 0.935 4.894 3.960 -0.001 0.000 0.277 628 G C -1.329 173.709 174.900 0.230 0.000 1.375 628 G CA -0.974 44.162 45.100 0.060 0.000 0.962 628 G HN 0.176 nan 8.290 nan 0.000 0.541 629 L N -0.466 120.877 121.223 0.200 0.000 2.388 629 L HA 0.799 5.138 4.340 -0.001 0.000 0.264 629 L C -0.215 176.759 176.870 0.174 0.000 0.998 629 L CA -1.018 53.970 54.840 0.247 0.000 0.817 629 L CB 2.470 44.680 42.059 0.252 0.000 1.338 629 L HN 0.757 nan 8.230 nan 0.000 0.414 630 A N 0.843 123.806 122.820 0.240 0.000 2.422 630 A HA 0.817 5.136 4.320 -0.001 0.000 0.302 630 A C -0.775 176.967 177.584 0.262 0.000 1.041 630 A CA -0.458 51.705 52.037 0.209 0.000 0.708 630 A CB 1.731 20.910 19.000 0.298 0.000 1.257 630 A HN 0.561 nan 8.150 nan 0.000 0.414 631 T N 2.057 116.658 114.554 0.078 0.000 2.829 631 T HA 0.650 4.999 4.350 -0.001 0.000 0.282 631 T C -1.063 173.537 174.700 -0.165 0.000 0.990 631 T CA 0.224 62.405 62.100 0.134 0.000 1.028 631 T CB 0.372 69.317 68.868 0.127 0.000 0.951 631 T HN 0.438 nan 8.240 nan 0.000 0.460 632 Y N 0.309 120.687 120.300 0.130 0.000 2.605 632 Y HA 0.669 5.218 4.550 -0.001 0.000 0.343 632 Y C -0.345 175.469 175.900 -0.143 0.000 1.036 632 Y CA -1.153 56.939 58.100 -0.014 0.000 1.065 632 Y CB 1.745 40.219 38.460 0.023 0.000 1.288 632 Y HN 0.313 nan 8.280 nan 0.000 0.481 633 V N 3.156 123.024 119.914 -0.076 0.000 2.588 633 V HA 0.434 4.553 4.120 -0.001 0.000 0.304 633 V C -0.780 175.254 176.094 -0.099 0.000 1.042 633 V CA -0.962 61.235 62.300 -0.172 0.000 0.877 633 V CB 1.806 33.462 31.823 -0.279 0.000 0.996 633 V HN 0.500 nan 8.190 nan 0.000 0.425 634 L N 3.897 125.092 121.223 -0.047 0.000 2.296 634 L HA 0.682 5.021 4.340 -0.001 0.000 0.286 634 L C -0.122 176.767 176.870 0.032 0.000 1.023 634 L CA -0.109 54.719 54.840 -0.020 0.000 0.812 634 L CB 1.818 43.879 42.059 0.003 0.000 1.223 634 L HN 0.621 nan 8.230 nan 0.000 0.421 635 T N 3.728 118.304 114.554 0.037 0.000 2.861 635 T HA 0.462 4.812 4.350 -0.001 0.000 0.287 635 T C -0.253 174.498 174.700 0.085 0.000 1.003 635 T CA -0.385 61.752 62.100 0.061 0.000 0.977 635 T CB 2.406 71.299 68.868 0.043 0.000 0.996 635 T HN 0.382 nan 8.240 nan 0.000 0.448 636 I N 3.077 123.706 120.570 0.098 0.000 2.612 636 I HA 0.561 4.730 4.170 -0.001 0.000 0.295 636 I C 0.274 176.458 176.117 0.112 0.000 1.011 636 I CA 0.115 61.489 61.300 0.123 0.000 1.326 636 I CB 0.800 38.875 38.000 0.125 0.000 1.427 636 I HN 0.839 nan 8.210 nan 0.000 0.537 637 S N 3.177 118.961 115.700 0.140 0.000 2.697 637 S HA 0.354 4.824 4.470 -0.001 0.000 0.289 637 S C 0.018 174.664 174.600 0.077 0.000 1.149 637 S CA -0.492 57.758 58.200 0.083 0.000 0.850 637 S CB 1.531 64.761 63.200 0.049 0.000 1.151 637 S HN 0.700 nan 8.310 nan 0.000 0.491 638 D N 0.241 120.627 120.400 -0.024 0.000 2.323 638 D HA 0.119 4.758 4.640 -0.001 0.000 0.209 638 D C 0.887 176.957 176.300 -0.383 0.000 0.973 638 D CA 0.804 54.759 54.000 -0.074 0.000 0.874 638 D CB -0.249 40.518 40.800 -0.055 0.000 0.930 638 D HN 0.634 nan 8.370 nan 0.000 0.521 639 S N -1.562 113.809 115.700 -0.549 0.000 2.720 639 S HA 0.411 4.880 4.470 -0.001 0.000 0.287 639 S C -0.630 173.527 174.600 -0.739 0.000 1.168 639 S CA -1.199 56.388 58.200 -1.022 0.000 0.832 639 S CB 1.546 64.428 63.200 -0.530 0.000 1.166 639 S HN -0.076 nan 8.310 nan 0.000 0.493 640 K N 2.102 122.158 120.400 -0.573 0.000 2.453 640 K HA 0.209 4.529 4.320 -0.001 0.000 0.280 640 K C -2.359 174.259 176.600 0.031 0.000 1.045 640 K CA -0.706 55.574 56.287 -0.011 0.000 1.059 640 K CB -0.426 32.109 32.500 0.059 0.000 0.901 640 K HN 0.391 nan 8.250 nan 0.000 0.475 641 P HA 0.002 nan 4.420 nan 0.000 0.274 641 P C 0.439 177.759 177.300 0.033 0.000 1.231 641 P CA -0.332 62.813 63.100 0.076 0.000 0.790 641 P CB 0.775 32.545 31.700 0.117 0.000 0.951 642 E N 0.909 121.086 120.200 -0.038 0.000 2.118 642 E HA -0.232 4.118 4.350 -0.001 0.000 0.195 642 E C 0.501 176.910 176.600 -0.318 0.000 0.992 642 E CA 1.151 57.426 56.400 -0.208 0.000 0.804 642 E CB -0.038 29.463 29.700 -0.331 0.000 0.741 642 E HN 0.479 nan 8.360 nan 0.000 0.458 643 H N -0.666 118.414 119.070 0.018 0.000 2.505 643 H HA 0.223 4.778 4.556 -0.001 0.000 0.286 643 H C -0.426 174.898 175.328 -0.007 0.000 1.072 643 H CA 0.169 56.223 56.048 0.010 0.000 1.141 643 H CB 0.755 30.522 29.762 0.008 0.000 1.550 643 H HN -0.050 nan 8.280 nan 0.000 0.547 644 T N 1.501 116.079 114.554 0.040 0.000 2.812 644 T HA 0.318 4.667 4.350 -0.001 0.000 0.282 644 T C 0.320 174.898 174.700 -0.205 0.000 0.990 644 T CA -0.691 61.364 62.100 -0.075 0.000 0.960 644 T CB 2.143 70.965 68.868 -0.076 0.000 0.948 644 T HN 0.274 nan 8.240 nan 0.000 0.438 645 S N 2.340 117.876 115.700 -0.274 0.000 2.718 645 S HA 0.788 5.257 4.470 -0.001 0.000 0.300 645 S C -1.421 172.833 174.600 -0.575 0.000 1.117 645 S CA -0.809 57.239 58.200 -0.253 0.000 1.002 645 S CB 0.904 64.073 63.200 -0.052 0.000 1.092 645 S HN 0.569 nan 8.310 nan 0.000 0.542 646 Y N 0.035 120.350 120.300 0.024 0.000 2.361 646 Y HA 0.648 5.198 4.550 -0.001 0.000 0.337 646 Y C 0.577 176.538 175.900 0.102 0.000 0.965 646 Y CA -0.755 57.348 58.100 0.005 0.000 1.091 646 Y CB 1.678 40.010 38.460 -0.213 0.000 1.182 646 Y HN 1.044 nan 8.280 nan 0.000 0.450 647 A N 2.085 125.101 122.820 0.326 0.000 2.445 647 A HA 0.470 4.790 4.320 -0.001 0.000 0.242 647 A C 0.348 178.133 177.584 0.335 0.000 1.075 647 A CA -0.232 51.980 52.037 0.292 0.000 0.777 647 A CB -0.075 19.092 19.000 0.279 0.000 1.013 647 A HN 0.770 nan 8.150 nan 0.000 0.493 648 S N 2.018 117.850 115.700 0.220 0.000 2.632 648 S HA 0.538 5.007 4.470 -0.001 0.000 0.271 648 S C -0.339 174.360 174.600 0.164 0.000 1.260 648 S CA -0.854 57.460 58.200 0.189 0.000 1.010 648 S CB 0.726 63.995 63.200 0.115 0.000 0.965 648 S HN 0.695 nan 8.310 nan 0.000 0.534 649 N N 0.498 119.271 118.700 0.123 0.000 2.310 649 N HA 0.473 5.212 4.740 -0.001 0.000 0.292 649 N C -2.034 173.428 175.510 -0.080 0.000 1.049 649 N CA -0.528 52.555 53.050 0.055 0.000 0.849 649 N CB 2.004 40.613 38.487 0.203 0.000 1.532 649 N HN 0.584 nan 8.380 nan 0.000 0.479 650 L N 2.617 123.748 121.223 -0.153 0.000 2.404 650 L HA 0.490 4.829 4.340 -0.001 0.000 0.272 650 L C -1.547 175.174 176.870 -0.248 0.000 0.980 650 L CA -0.527 54.193 54.840 -0.199 0.000 0.836 650 L CB 1.500 43.495 42.059 -0.107 0.000 1.238 650 L HN 0.439 nan 8.230 nan 0.000 0.408 651 L N 6.683 127.713 121.223 -0.322 0.000 2.265 651 L HA 0.466 4.805 4.340 -0.001 0.000 0.289 651 L C -1.187 175.659 176.870 -0.040 0.000 1.033 651 L CA -0.415 54.294 54.840 -0.217 0.000 0.814 651 L CB 1.269 43.194 42.059 -0.224 0.000 1.203 651 L HN 0.680 nan 8.230 nan 0.000 0.423 652 L N 7.262 128.478 121.223 -0.013 0.000 2.262 652 L HA 0.561 4.901 4.340 -0.001 0.000 0.288 652 L C -0.090 176.819 176.870 0.066 0.000 1.035 652 L CA -0.427 54.436 54.840 0.039 0.000 0.820 652 L CB 0.813 42.887 42.059 0.025 0.000 1.204 652 L HN 0.634 nan 8.230 nan 0.000 0.424 653 R N 2.112 122.662 120.500 0.084 0.000 2.728 653 R HA 0.410 4.750 4.340 -0.001 0.000 0.259 653 R C -1.602 174.735 176.300 0.061 0.000 1.057 653 R CA -1.086 55.058 56.100 0.073 0.000 0.908 653 R CB 1.272 31.616 30.300 0.073 0.000 1.259 653 R HN 0.177 nan 8.270 nan 0.000 0.472 654 K N 1.803 122.229 120.400 0.042 0.000 2.219 654 K HA 0.139 4.458 4.320 -0.001 0.000 0.258 654 K C -0.336 176.264 176.600 0.001 0.000 1.008 654 K CA -0.420 55.881 56.287 0.024 0.000 0.928 654 K CB 0.228 32.740 32.500 0.021 0.000 0.983 654 K HN 0.810 nan 8.250 nan 0.000 0.484 655 N N 0.100 118.788 118.700 -0.019 0.000 2.696 655 N HA -0.121 4.618 4.740 -0.001 0.000 0.256 655 N C -2.437 173.023 175.510 -0.083 0.000 1.031 655 N CA 0.412 53.432 53.050 -0.050 0.000 0.730 655 N CB -1.691 36.771 38.487 -0.042 0.000 0.894 655 N HN 0.492 nan 8.380 nan 0.000 0.544 656 P HA 0.277 nan 4.420 nan 0.000 0.276 656 P C 0.235 177.356 177.300 -0.299 0.000 1.252 656 P CA 0.018 63.007 63.100 -0.185 0.000 0.802 656 P CB 0.949 32.502 31.700 -0.246 0.000 1.035 657 T N -2.971 111.401 114.554 -0.302 0.000 2.916 657 T HA 0.502 4.851 4.350 -0.001 0.000 0.292 657 T C 0.238 174.749 174.700 -0.316 0.000 1.064 657 T CA -0.756 61.173 62.100 -0.284 0.000 1.011 657 T CB 0.612 69.382 68.868 -0.164 0.000 1.152 657 T HN 0.476 nan 8.240 nan 0.000 0.510 658 S N 0.589 116.164 115.700 -0.208 0.000 2.576 658 S HA 0.417 4.886 4.470 -0.001 0.000 0.272 658 S C -0.162 174.527 174.600 0.148 0.000 1.352 658 S CA -0.780 57.393 58.200 -0.045 0.000 1.021 658 S CB -0.333 62.861 63.200 -0.011 0.000 0.887 658 S HN 0.694 nan 8.310 nan 0.000 0.542 659 L N 2.301 123.714 121.223 0.316 0.000 2.481 659 L HA 0.373 4.712 4.340 -0.001 0.000 0.255 659 L C -2.338 174.637 176.870 0.176 0.000 1.192 659 L CA -1.603 53.400 54.840 0.272 0.000 0.924 659 L CB 1.589 43.891 42.059 0.405 0.000 1.179 659 L HN 0.596 nan 8.230 nan 0.000 0.491 660 P HA 0.180 nan 4.420 nan 0.000 0.272 660 P C -0.069 177.231 177.300 0.001 0.000 1.223 660 P CA -0.180 62.957 63.100 0.061 0.000 0.784 660 P CB 1.755 33.481 31.700 0.042 0.000 0.923 661 L N 0.842 122.074 121.223 0.016 0.000 3.366 661 L HA 0.279 4.619 4.340 -0.001 0.000 0.304 661 L C 1.387 178.326 176.870 0.116 0.000 1.292 661 L CA -0.078 54.751 54.840 -0.018 0.000 1.012 661 L CB 0.075 42.095 42.059 -0.065 0.000 1.414 661 L HN 0.740 nan 8.230 nan 0.000 0.603 662 G N 1.212 110.060 108.800 0.081 0.000 2.622 662 G HA2 -0.405 3.554 3.960 -0.001 0.000 0.307 662 G HA3 -0.405 3.554 3.960 -0.001 0.000 0.307 662 G C 0.529 175.482 174.900 0.089 0.000 1.226 662 G CA 0.739 45.904 45.100 0.109 0.000 0.997 662 G HN 0.480 nan 8.290 nan 0.000 0.551 663 Q N -0.454 119.378 119.800 0.053 0.000 2.444 663 Q HA 0.213 4.552 4.340 -0.001 0.000 0.206 663 Q C 0.773 176.594 176.000 -0.297 0.000 0.948 663 Q CA 0.190 55.916 55.803 -0.128 0.000 0.946 663 Q CB 0.300 28.879 28.738 -0.266 0.000 1.027 663 Q HN 0.507 nan 8.270 nan 0.000 0.513 664 Y N 4.101 124.197 120.300 -0.340 0.000 2.721 664 Y HA -0.038 4.511 4.550 -0.001 0.000 0.329 664 Y C -1.398 174.350 175.900 -0.255 0.000 1.211 664 Y CA -1.601 56.277 58.100 -0.370 0.000 1.512 664 Y CB 0.820 39.215 38.460 -0.107 0.000 1.249 664 Y HN 0.049 nan 8.280 nan 0.000 0.549 665 P HA -0.047 nan 4.420 nan 0.000 0.245 665 P C -0.732 176.403 177.300 -0.275 0.000 1.212 665 P CA 0.946 63.772 63.100 -0.456 0.000 0.774 665 P CB 0.508 31.839 31.700 -0.616 0.000 0.999 666 E N 0.992 121.065 120.200 -0.210 0.000 2.165 666 E HA 0.212 4.561 4.350 -0.001 0.000 0.266 666 E C -0.578 176.139 176.600 0.195 0.000 0.889 666 E CA -0.569 55.852 56.400 0.034 0.000 0.756 666 E CB 1.470 31.233 29.700 0.105 0.000 1.131 666 E HN 0.031 nan 8.360 nan 0.000 0.411 667 D N 1.409 121.884 120.400 0.125 0.000 2.389 667 D HA 0.071 4.711 4.640 -0.001 0.000 0.247 667 D C 0.256 176.622 176.300 0.110 0.000 1.128 667 D CA -0.181 53.898 54.000 0.131 0.000 0.884 667 D CB 1.133 41.997 40.800 0.107 0.000 1.194 667 D HN 0.042 nan 8.370 nan 0.000 0.441 668 V N 3.424 123.388 119.914 0.085 0.000 2.673 668 V HA -0.042 4.077 4.120 -0.001 0.000 0.303 668 V C 0.993 176.920 176.094 -0.278 0.000 1.046 668 V CA 0.239 62.486 62.300 -0.089 0.000 1.126 668 V CB 0.296 32.043 31.823 -0.126 0.000 0.934 668 V HN 0.282 nan 8.190 nan 0.000 0.487 669 K N 3.589 123.769 120.400 -0.366 0.000 2.118 669 K HA 0.625 4.944 4.320 -0.001 0.000 0.254 669 K C -1.063 175.139 176.600 -0.663 0.000 0.961 669 K CA -0.338 55.759 56.287 -0.317 0.000 0.876 669 K CB 1.810 34.247 32.500 -0.105 0.000 1.077 669 K HN 0.430 nan 8.250 nan 0.000 0.440 670 F N -0.773 119.190 119.950 0.021 0.000 2.561 670 F HA 0.638 5.164 4.527 -0.001 0.000 0.321 670 F C 0.653 176.458 175.800 0.008 0.000 1.065 670 F CA -0.620 57.384 58.000 0.007 0.000 0.934 670 F CB 2.553 41.556 39.000 0.004 0.000 1.215 670 F HN 0.609 nan 8.300 nan 0.000 0.471 671 G N 0.403 109.310 108.800 0.178 0.000 2.646 671 G HA2 0.397 4.356 3.960 -0.001 0.000 0.291 671 G HA3 0.397 4.356 3.960 -0.001 0.000 0.291 671 G C -2.136 172.818 174.900 0.090 0.000 1.445 671 G CA -0.849 44.316 45.100 0.108 0.000 0.814 671 G HN 0.366 nan 8.290 nan 0.000 0.495 672 D N 0.894 121.334 120.400 0.067 0.000 2.362 672 D HA 0.372 5.012 4.640 -0.001 0.000 0.242 672 D C -1.968 174.363 176.300 0.052 0.000 1.132 672 D CA -0.612 53.421 54.000 0.055 0.000 0.907 672 D CB 1.001 41.828 40.800 0.044 0.000 1.195 672 D HN -0.004 nan 8.370 nan 0.000 0.429 673 P HA 0.036 nan 4.420 nan 0.000 0.263 673 P C -0.430 176.900 177.300 0.050 0.000 1.175 673 P CA 0.479 63.611 63.100 0.053 0.000 0.761 673 P CB 0.371 32.105 31.700 0.057 0.000 0.794 674 R N 0.485 121.017 120.500 0.054 0.000 2.690 674 R HA 0.421 4.760 4.340 -0.001 0.000 0.269 674 R C -1.122 175.219 176.300 0.068 0.000 1.037 674 R CA -1.024 55.108 56.100 0.053 0.000 0.877 674 R CB 1.136 31.463 30.300 0.045 0.000 1.255 674 R HN 0.229 nan 8.270 nan 0.000 0.467 675 E N 1.655 121.897 120.200 0.069 0.000 2.398 675 E HA 0.232 4.581 4.350 -0.001 0.000 0.263 675 E C 0.009 176.670 176.600 0.101 0.000 1.046 675 E CA 0.057 56.513 56.400 0.093 0.000 0.908 675 E CB 0.770 30.510 29.700 0.066 0.000 0.963 675 E HN 0.453 nan 8.360 nan 0.000 0.431 676 I N -2.021 118.645 120.570 0.160 0.000 3.074 676 I HA 0.606 4.775 4.170 -0.001 0.000 0.310 676 I C -0.700 175.568 176.117 0.252 0.000 1.153 676 I CA -0.848 60.547 61.300 0.159 0.000 0.993 676 I CB 2.397 40.463 38.000 0.110 0.000 1.237 676 I HN 0.265 nan 8.210 nan 0.000 0.443 677 S N 3.150 118.969 115.700 0.200 0.000 2.536 677 S HA 0.862 5.331 4.470 -0.001 0.000 0.287 677 S C -1.270 173.453 174.600 0.204 0.000 1.101 677 S CA -0.542 57.788 58.200 0.216 0.000 0.950 677 S CB 1.201 64.475 63.200 0.123 0.000 1.056 677 S HN 0.668 nan 8.310 nan 0.000 0.481 678 L N 3.214 124.585 121.223 0.246 0.000 2.409 678 L HA 0.696 5.036 4.340 -0.001 0.000 0.262 678 L C -0.468 176.498 176.870 0.161 0.000 0.992 678 L CA -0.729 54.226 54.840 0.192 0.000 0.817 678 L CB 2.438 44.627 42.059 0.216 0.000 1.350 678 L HN 0.676 nan 8.230 nan 0.000 0.411 679 R N 1.692 122.262 120.500 0.117 0.000 2.533 679 R HA 0.679 5.018 4.340 -0.001 0.000 0.288 679 R C -2.011 174.337 176.300 0.080 0.000 1.039 679 R CA -0.488 55.669 56.100 0.094 0.000 0.909 679 R CB 2.268 32.615 30.300 0.077 0.000 1.195 679 R HN 0.397 nan 8.270 nan 0.000 0.438 680 V N 4.590 124.549 119.914 0.075 0.000 2.435 680 V HA 0.564 4.683 4.120 -0.001 0.000 0.290 680 V C 1.106 177.232 176.094 0.054 0.000 1.030 680 V CA 0.601 62.940 62.300 0.066 0.000 0.881 680 V CB 1.130 32.994 31.823 0.068 0.000 0.983 680 V HN 1.116 nan 8.190 nan 0.000 0.445 681 G N 4.921 113.751 108.800 0.049 0.000 2.596 681 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.295 681 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.295 681 G C 0.496 175.418 174.900 0.036 0.000 1.240 681 G CA 0.631 45.756 45.100 0.042 0.000 0.985 681 G HN 0.682 nan 8.290 nan 0.000 0.555 682 N N 2.394 121.111 118.700 0.029 0.000 2.251 682 N HA 0.276 5.015 4.740 -0.001 0.000 0.217 682 N C 1.102 176.622 175.510 0.018 0.000 1.124 682 N CA 0.929 53.992 53.050 0.022 0.000 0.843 682 N CB 0.448 38.944 38.487 0.016 0.000 1.024 682 N HN 0.794 nan 8.380 nan 0.000 0.501 683 G N 1.456 110.271 108.800 0.024 0.000 2.494 683 G HA2 0.267 4.226 3.960 -0.001 0.000 0.270 683 G HA3 0.267 4.226 3.960 -0.001 0.000 0.270 683 G C -2.418 172.493 174.900 0.019 0.000 1.423 683 G CA -0.675 44.437 45.100 0.021 0.000 1.055 683 G HN -0.010 nan 8.290 nan 0.000 0.536 684 P HA 0.206 nan 4.420 nan 0.000 0.272 684 P C -0.530 176.788 177.300 0.030 0.000 1.230 684 P CA 0.076 63.181 63.100 0.008 0.000 0.788 684 P CB 0.824 32.525 31.700 0.002 0.000 0.949 685 T N 2.693 117.262 114.554 0.024 0.000 2.767 685 T HA 0.457 4.806 4.350 -0.001 0.000 0.284 685 T C 0.011 174.744 174.700 0.056 0.000 0.973 685 T CA -0.380 61.758 62.100 0.064 0.000 0.996 685 T CB 0.122 69.042 68.868 0.086 0.000 0.927 685 T HN 0.175 nan 8.240 nan 0.000 0.456 686 L N 2.707 123.968 121.223 0.064 0.000 2.322 686 L HA 0.775 5.114 4.340 -0.001 0.000 0.281 686 L C 0.183 176.982 176.870 -0.117 0.000 1.014 686 L CA -1.162 53.632 54.840 -0.077 0.000 0.815 686 L CB 1.549 43.550 42.059 -0.096 0.000 1.247 686 L HN 0.644 nan 8.230 nan 0.000 0.421 687 A N 3.228 125.895 122.820 -0.255 0.000 2.337 687 A HA 0.871 5.191 4.320 -0.001 0.000 0.329 687 A C -1.214 176.133 177.584 -0.395 0.000 1.146 687 A CA -0.305 51.637 52.037 -0.159 0.000 0.800 687 A CB 0.846 19.808 19.000 -0.063 0.000 1.220 687 A HN 0.512 nan 8.150 nan 0.000 0.472 688 F N 0.833 120.828 119.950 0.076 0.000 2.551 688 F HA 0.503 5.029 4.527 -0.001 0.000 0.316 688 F C 1.072 176.923 175.800 0.084 0.000 1.089 688 F CA -0.297 57.764 58.000 0.101 0.000 0.915 688 F CB 2.209 41.269 39.000 0.101 0.000 1.186 688 F HN 0.685 nan 8.300 nan 0.000 0.456 689 S N 0.290 116.156 115.700 0.276 0.000 2.596 689 S HA 0.058 4.527 4.470 -0.001 0.000 0.260 689 S C 1.111 175.819 174.600 0.181 0.000 1.336 689 S CA 0.000 58.312 58.200 0.186 0.000 0.993 689 S CB 0.689 64.002 63.200 0.189 0.000 0.923 689 S HN 0.868 nan 8.310 nan 0.000 0.567 690 E N 0.006 120.279 120.200 0.123 0.000 2.401 690 E HA -0.213 4.137 4.350 -0.001 0.000 0.199 690 E C 1.229 177.893 176.600 0.107 0.000 1.023 690 E CA 1.053 57.514 56.400 0.102 0.000 0.859 690 E CB -0.338 29.407 29.700 0.074 0.000 0.780 690 E HN 0.709 nan 8.360 nan 0.000 0.523 691 Q N -0.041 119.837 119.800 0.131 0.000 2.320 691 Q HA 0.218 4.557 4.340 -0.001 0.000 0.201 691 Q C 0.911 177.000 176.000 0.150 0.000 0.910 691 Q CA 0.673 56.552 55.803 0.127 0.000 0.946 691 Q CB 0.950 29.764 28.738 0.127 0.000 1.062 691 Q HN 0.488 nan 8.270 nan 0.000 0.503 692 G N 0.043 108.953 108.800 0.184 0.000 2.136 692 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.242 692 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.242 692 G C -0.363 174.757 174.900 0.367 0.000 0.989 692 G CA -0.141 45.071 45.100 0.186 0.000 0.682 692 G HN 0.269 nan 8.290 nan 0.000 0.522 693 L N -0.109 121.373 121.223 0.430 0.000 2.329 693 L HA 0.677 5.017 4.340 -0.001 0.000 0.279 693 L C 0.761 177.928 176.870 0.494 0.000 1.014 693 L CA -1.381 53.755 54.840 0.493 0.000 0.814 693 L CB 1.647 43.891 42.059 0.309 0.000 1.257 693 L HN 0.137 nan 8.230 nan 0.000 0.424 694 L N 3.518 125.017 121.223 0.460 0.000 2.559 694 L HA -0.050 4.290 4.340 -0.001 0.000 0.282 694 L C 1.084 178.021 176.870 0.111 0.000 1.232 694 L CA 0.940 55.801 54.840 0.035 0.000 0.885 694 L CB 0.167 42.287 42.059 0.100 0.000 1.131 694 L HN 0.801 nan 8.230 nan 0.000 0.498 695 K N 1.495 121.869 120.400 -0.043 0.000 2.474 695 K HA 0.311 4.630 4.320 -0.001 0.000 0.202 695 K C -0.049 176.499 176.600 -0.087 0.000 1.248 695 K CA 0.336 56.622 56.287 -0.002 0.000 0.946 695 K CB 0.418 32.899 32.500 -0.032 0.000 1.102 695 K HN 0.606 nan 8.250 nan 0.000 0.541 696 S N 0.383 116.005 115.700 -0.130 0.000 2.565 696 S HA 0.594 5.063 4.470 -0.001 0.000 0.269 696 S C -1.102 173.444 174.600 -0.090 0.000 1.153 696 S CA -1.005 57.142 58.200 -0.088 0.000 0.835 696 S CB 1.362 64.553 63.200 -0.016 0.000 1.122 696 S HN 0.180 nan 8.310 nan 0.000 0.462 697 I N 1.443 121.977 120.570 -0.061 0.000 2.498 697 I HA 0.463 4.632 4.170 -0.001 0.000 0.290 697 I C -0.571 175.510 176.117 -0.059 0.000 1.032 697 I CA -0.408 60.858 61.300 -0.057 0.000 1.073 697 I CB 2.168 40.124 38.000 -0.074 0.000 1.251 697 I HN 0.734 nan 8.210 nan 0.000 0.426 698 Q N 5.968 125.721 119.800 -0.078 0.000 2.357 698 Q HA 0.413 4.752 4.340 -0.001 0.000 0.266 698 Q C 0.031 175.960 176.000 -0.118 0.000 1.021 698 Q CA -0.507 55.179 55.803 -0.195 0.000 0.784 698 Q CB 1.645 30.123 28.738 -0.433 0.000 1.243 698 Q HN 0.775 nan 8.270 nan 0.000 0.465 699 L N 1.998 123.161 121.223 -0.101 0.000 2.056 699 L HA -0.030 4.309 4.340 -0.001 0.000 0.207 699 L C 1.146 177.982 176.870 -0.057 0.000 1.078 699 L CA 1.302 56.103 54.840 -0.066 0.000 0.749 699 L CB -0.276 41.748 42.059 -0.060 0.000 0.901 699 L HN 0.671 nan 8.230 nan 0.000 0.433 700 T N -6.585 107.925 114.554 -0.072 0.000 2.865 700 T HA 0.206 4.556 4.350 -0.001 0.000 0.294 700 T C 0.512 175.174 174.700 -0.063 0.000 1.119 700 T CA -0.855 61.214 62.100 -0.053 0.000 1.007 700 T CB 1.763 70.605 68.868 -0.043 0.000 1.225 700 T HN -0.114 nan 8.240 nan 0.000 0.515 701 Q N 0.913 120.691 119.800 -0.037 0.000 2.118 701 Q HA -0.203 4.137 4.340 -0.001 0.000 0.211 701 Q C 1.778 177.756 176.000 -0.037 0.000 0.998 701 Q CA 2.614 58.401 55.803 -0.026 0.000 0.872 701 Q CB -0.327 28.406 28.738 -0.008 0.000 0.925 701 Q HN 0.915 nan 8.270 nan 0.000 0.414 702 D N -0.210 120.167 120.400 -0.039 0.000 2.271 702 D HA -0.050 4.590 4.640 -0.001 0.000 0.206 702 D C 0.859 177.123 176.300 -0.059 0.000 0.967 702 D CA 0.482 54.461 54.000 -0.035 0.000 0.867 702 D CB -0.206 40.580 40.800 -0.023 0.000 0.960 702 D HN 0.072 nan 8.370 nan 0.000 0.509 703 S N 1.043 116.691 115.700 -0.087 0.000 2.589 703 S HA 0.317 4.786 4.470 -0.001 0.000 0.265 703 S C -2.484 172.027 174.600 -0.147 0.000 1.342 703 S CA -1.104 57.038 58.200 -0.097 0.000 1.005 703 S CB 0.407 63.551 63.200 -0.093 0.000 0.909 703 S HN -0.089 nan 8.310 nan 0.000 0.555 704 P HA 0.125 nan 4.420 nan 0.000 0.269 704 P C -0.492 176.710 177.300 -0.163 0.000 1.215 704 P CA -0.053 63.001 63.100 -0.076 0.000 0.780 704 P CB 0.135 31.825 31.700 -0.016 0.000 0.898 705 H N 0.864 119.925 119.070 -0.014 0.000 3.067 705 H HA 0.131 4.686 4.556 -0.001 0.000 0.265 705 H C -0.154 175.150 175.328 -0.040 0.000 1.234 705 H CA -0.283 55.748 56.048 -0.029 0.000 1.452 705 H CB -0.185 29.561 29.762 -0.028 0.000 1.527 705 H HN 0.109 nan 8.280 nan 0.000 0.486 706 V N 6.818 126.734 119.914 0.004 0.000 2.470 706 V HA 0.045 4.164 4.120 -0.001 0.000 0.276 706 V C -1.861 174.187 176.094 -0.076 0.000 1.040 706 V CA -1.505 60.778 62.300 -0.028 0.000 1.008 706 V CB 0.631 32.425 31.823 -0.048 0.000 0.990 706 V HN 0.532 nan 8.190 nan 0.000 0.477 707 P HA 0.151 nan 4.420 nan 0.000 0.262 707 P C -0.763 176.402 177.300 -0.225 0.000 1.199 707 P CA 0.288 63.245 63.100 -0.239 0.000 0.763 707 P CB 0.436 31.823 31.700 -0.523 0.000 0.790 708 V N 4.322 124.133 119.914 -0.171 0.000 2.555 708 V HA 0.203 4.323 4.120 -0.001 0.000 0.283 708 V C -0.596 175.405 176.094 -0.154 0.000 1.020 708 V CA -0.417 61.766 62.300 -0.195 0.000 0.883 708 V CB 1.123 32.818 31.823 -0.213 0.000 1.030 708 V HN 0.615 nan 8.190 nan 0.000 0.448 709 H N 4.710 123.622 119.070 -0.264 0.000 2.539 709 H HA 0.555 5.110 4.556 -0.001 0.000 0.332 709 H C -1.413 173.792 175.328 -0.206 0.000 1.031 709 H CA -0.644 55.294 56.048 -0.184 0.000 1.206 709 H CB 1.261 30.953 29.762 -0.116 0.000 1.446 709 H HN 0.444 nan 8.280 nan 0.000 0.496 710 F N 3.809 123.500 119.950 -0.432 0.000 2.399 710 F HA 0.304 4.830 4.527 -0.001 0.000 0.342 710 F C 0.368 175.688 175.800 -0.800 0.000 1.106 710 F CA 0.039 57.727 58.000 -0.521 0.000 1.196 710 F CB 1.061 39.874 39.000 -0.313 0.000 1.163 710 F HN 0.447 nan 8.300 nan 0.000 0.547 711 K N 3.055 123.204 120.400 -0.417 0.000 2.523 711 K HA 0.506 4.825 4.320 -0.001 0.000 0.257 711 K C -1.991 174.335 176.600 -0.456 0.000 0.932 711 K CA -0.572 55.502 56.287 -0.355 0.000 0.812 711 K CB 1.320 33.669 32.500 -0.252 0.000 1.326 711 K HN 0.387 nan 8.250 nan 0.000 0.433 712 F N 3.929 123.800 119.950 -0.132 0.000 2.436 712 F HA 0.489 5.015 4.527 -0.001 0.000 0.340 712 F C -0.374 175.380 175.800 -0.076 0.000 1.113 712 F CA -0.596 57.341 58.000 -0.106 0.000 1.022 712 F CB 1.171 40.093 39.000 -0.129 0.000 1.128 712 F HN 0.236 nan 8.300 nan 0.000 0.466 713 L N 2.787 124.050 121.223 0.067 0.000 2.277 713 L HA 0.645 4.984 4.340 -0.001 0.000 0.254 713 L C -1.103 175.758 176.870 -0.014 0.000 1.044 713 L CA -1.016 53.813 54.840 -0.018 0.000 0.842 713 L CB 2.235 44.220 42.059 -0.123 0.000 1.422 713 L HN 0.490 nan 8.230 nan 0.000 0.422 714 K N -0.398 119.953 120.400 -0.081 0.000 2.427 714 K HA 0.647 4.966 4.320 -0.001 0.000 0.252 714 K C -1.790 174.742 176.600 -0.113 0.000 0.931 714 K CA -0.802 55.470 56.287 -0.026 0.000 0.793 714 K CB 1.692 34.208 32.500 0.027 0.000 1.211 714 K HN 0.245 nan 8.250 nan 0.000 0.426 715 Y N 0.624 120.986 120.300 0.103 0.000 2.376 715 Y HA 0.531 5.080 4.550 -0.001 0.000 0.325 715 Y C 1.029 176.988 175.900 0.099 0.000 1.199 715 Y CA 0.061 58.235 58.100 0.124 0.000 1.206 715 Y CB 2.113 40.717 38.460 0.239 0.000 1.229 715 Y HN 0.919 nan 8.280 nan 0.000 0.480 716 G N 0.384 109.334 108.800 0.250 0.000 3.107 716 G HA2 0.639 4.598 3.960 -0.001 0.000 0.232 716 G HA3 0.639 4.598 3.960 -0.001 0.000 0.232 716 G C -1.508 173.471 174.900 0.133 0.000 1.339 716 G CA -0.748 44.443 45.100 0.151 0.000 1.033 716 G HN 0.435 nan 8.290 nan 0.000 0.567 717 V N -0.097 119.863 119.914 0.076 0.000 2.823 717 V HA 0.470 4.590 4.120 -0.001 0.000 0.312 717 V C -0.030 176.074 176.094 0.016 0.000 1.072 717 V CA -0.856 61.472 62.300 0.046 0.000 0.937 717 V CB 1.948 33.795 31.823 0.041 0.000 1.013 717 V HN 0.679 nan 8.190 nan 0.000 0.430 718 R N 1.324 121.824 120.500 0.001 0.000 2.543 718 R HA 0.198 4.538 4.340 -0.001 0.000 0.277 718 R C 1.119 177.389 176.300 -0.050 0.000 1.074 718 R CA 0.455 56.549 56.100 -0.009 0.000 1.076 718 R CB 0.597 30.899 30.300 0.003 0.000 0.993 718 R HN 0.909 nan 8.270 nan 0.000 0.459 719 S N 1.097 116.731 115.700 -0.110 0.000 2.524 719 S HA 0.064 4.533 4.470 -0.001 0.000 0.216 719 S C 0.348 174.640 174.600 -0.513 0.000 0.987 719 S CA -0.027 58.005 58.200 -0.280 0.000 0.909 719 S CB 0.161 63.163 63.200 -0.330 0.000 0.781 719 S HN 0.547 nan 8.310 nan 0.000 0.521 720 H N 0.277 119.348 119.070 0.002 0.000 2.768 720 H HA 0.598 5.153 4.556 -0.001 0.000 0.371 720 H C 0.914 176.240 175.328 -0.004 0.000 1.151 720 H CA -0.014 56.033 56.048 -0.001 0.000 1.165 720 H CB 1.367 31.128 29.762 -0.001 0.000 1.722 720 H HN 0.395 nan 8.280 nan 0.000 0.543 721 G N 2.319 111.189 108.800 0.117 0.000 2.512 721 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.240 721 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.240 721 G C -0.835 174.080 174.900 0.026 0.000 1.246 721 G CA -0.357 44.778 45.100 0.057 0.000 0.919 721 G HN 0.591 nan 8.290 nan 0.000 0.577 722 D N 1.625 122.033 120.400 0.013 0.000 2.302 722 D HA 0.519 5.158 4.640 -0.001 0.000 0.248 722 D C 0.788 177.085 176.300 -0.005 0.000 1.094 722 D CA -0.083 53.916 54.000 -0.001 0.000 0.897 722 D CB 0.729 41.523 40.800 -0.009 0.000 1.200 722 D HN 0.402 nan 8.370 nan 0.000 0.429 723 R N 1.088 121.584 120.500 -0.006 0.000 2.428 723 R HA 0.339 4.679 4.340 -0.001 0.000 0.294 723 R C 0.054 176.356 176.300 0.003 0.000 1.000 723 R CA -0.633 55.467 56.100 -0.001 0.000 0.960 723 R CB 0.928 31.230 30.300 0.002 0.000 1.076 723 R HN 0.293 nan 8.270 nan 0.000 0.475 724 S N 0.309 116.020 115.700 0.020 0.000 2.568 724 S HA 0.412 4.882 4.470 -0.001 0.000 0.282 724 S C 0.668 175.292 174.600 0.040 0.000 1.338 724 S CA 0.198 58.425 58.200 0.044 0.000 1.045 724 S CB 0.992 64.249 63.200 0.096 0.000 0.873 724 S HN 0.779 nan 8.310 nan 0.000 0.516 725 G N -0.194 108.631 108.800 0.042 0.000 2.815 725 G HA2 0.584 4.543 3.960 -0.001 0.000 0.305 725 G HA3 0.584 4.543 3.960 -0.001 0.000 0.305 725 G C 0.539 175.462 174.900 0.039 0.000 1.277 725 G CA -0.123 45.005 45.100 0.048 0.000 0.795 725 G HN 0.708 nan 8.290 nan 0.000 0.528 726 A N -1.231 121.601 122.820 0.019 0.000 1.978 726 A HA 0.052 4.371 4.320 -0.001 0.000 0.220 726 A C 1.935 179.439 177.584 -0.135 0.000 1.170 726 A CA 2.101 54.092 52.037 -0.076 0.000 0.636 726 A CB -0.653 18.241 19.000 -0.177 0.000 0.810 726 A HN 0.596 nan 8.150 nan 0.000 0.448 727 Y N -0.836 119.398 120.300 -0.110 0.000 2.301 727 Y HA 0.331 4.881 4.550 -0.001 0.000 0.295 727 Y C 0.885 176.667 175.900 -0.197 0.000 1.126 727 Y CA 0.129 58.081 58.100 -0.247 0.000 1.154 727 Y CB -0.096 37.851 38.460 -0.854 0.000 1.075 727 Y HN 0.030 nan 8.280 nan 0.000 0.534 728 L N 0.427 121.618 121.223 -0.053 0.000 2.307 728 L HA 0.224 4.563 4.340 -0.001 0.000 0.282 728 L C -1.155 175.772 176.870 0.095 0.000 1.051 728 L CA -0.624 54.188 54.840 -0.046 0.000 0.804 728 L CB 1.036 43.021 42.059 -0.125 0.000 1.197 728 L HN 0.014 nan 8.230 nan 0.000 0.431 729 F N 4.888 124.786 119.950 -0.086 0.000 2.361 729 F HA 0.485 5.011 4.527 -0.001 0.000 0.364 729 F C -0.734 174.995 175.800 -0.118 0.000 1.117 729 F CA -1.112 56.798 58.000 -0.150 0.000 1.071 729 F CB 0.649 39.491 39.000 -0.264 0.000 1.188 729 F HN 0.214 nan 8.300 nan 0.000 0.464 730 L N 9.127 130.251 121.223 -0.166 0.000 2.556 730 L HA 0.337 4.676 4.340 -0.001 0.000 0.243 730 L C -2.355 174.348 176.870 -0.279 0.000 1.331 730 L CA -1.744 52.952 54.840 -0.239 0.000 0.927 730 L CB 1.029 43.041 42.059 -0.078 0.000 1.219 730 L HN 0.392 nan 8.230 nan 0.000 0.490 731 P HA 0.046 nan 4.420 nan 0.000 0.272 731 P C -0.473 176.763 177.300 -0.108 0.000 1.223 731 P CA -0.292 62.629 63.100 -0.298 0.000 0.784 731 P CB 0.585 31.982 31.700 -0.504 0.000 0.923 732 N N 1.105 119.813 118.700 0.014 0.000 3.250 732 N HA 0.268 5.007 4.740 -0.001 0.000 0.307 732 N C 0.620 176.157 175.510 0.046 0.000 1.355 732 N CA -0.178 52.886 53.050 0.024 0.000 1.192 732 N CB -0.797 37.712 38.487 0.036 0.000 1.478 732 N HN 0.729 nan 8.380 nan 0.000 0.543 733 G N 0.811 109.634 108.800 0.038 0.000 2.655 733 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.680 733 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.680 733 G C -3.077 171.903 174.900 0.133 0.000 1.302 733 G CA -1.109 44.025 45.100 0.056 0.000 0.872 733 G HN 0.342 nan 8.290 nan 0.000 0.540 734 P HA 0.440 nan 4.420 nan 0.000 0.267 734 P C 0.575 177.840 177.300 -0.058 0.000 1.201 734 P CA 0.700 63.866 63.100 0.110 0.000 0.775 734 P CB 0.314 32.044 31.700 0.050 0.000 0.854 735 A N 2.314 124.902 122.820 -0.386 0.000 2.466 735 A HA 0.349 4.668 4.320 -0.001 0.000 0.238 735 A C 0.266 177.697 177.584 -0.255 0.000 1.074 735 A CA 0.344 51.992 52.037 -0.648 0.000 0.774 735 A CB -0.283 18.062 19.000 -1.092 0.000 1.015 735 A HN 0.479 nan 8.150 nan 0.000 0.498 736 S N 2.370 117.961 115.700 -0.183 0.000 2.501 736 S HA 0.585 5.054 4.470 -0.001 0.000 0.301 736 S C -2.692 171.870 174.600 -0.063 0.000 1.096 736 S CA -1.009 57.140 58.200 -0.084 0.000 1.063 736 S CB 1.339 64.512 63.200 -0.044 0.000 1.042 736 S HN 0.568 nan 8.310 nan 0.000 0.494 737 P HA 0.081 nan 4.420 nan 0.000 0.265 737 P C -0.703 176.604 177.300 0.010 0.000 1.193 737 P CA -0.284 62.814 63.100 -0.004 0.000 0.765 737 P CB 0.268 31.976 31.700 0.014 0.000 0.823 738 V N 3.913 123.846 119.914 0.031 0.000 2.585 738 V HA -0.037 4.083 4.120 -0.001 0.000 0.296 738 V C 1.008 177.118 176.094 0.027 0.000 1.035 738 V CA 0.282 62.600 62.300 0.030 0.000 1.084 738 V CB -0.342 31.505 31.823 0.040 0.000 0.953 738 V HN 0.518 nan 8.190 nan 0.000 0.483 739 E N 4.492 124.702 120.200 0.017 0.000 2.265 739 E HA 0.124 4.473 4.350 -0.001 0.000 0.272 739 E C 0.500 177.109 176.600 0.016 0.000 1.067 739 E CA -0.153 56.259 56.400 0.019 0.000 0.900 739 E CB 0.739 30.449 29.700 0.016 0.000 1.017 739 E HN 0.561 nan 8.360 nan 0.000 0.431 740 L N 2.791 124.029 121.223 0.025 0.000 2.446 740 L HA 0.102 4.441 4.340 -0.001 0.000 0.219 740 L C 1.415 178.301 176.870 0.027 0.000 1.116 740 L CA 0.414 55.267 54.840 0.021 0.000 0.844 740 L CB -0.647 41.434 42.059 0.037 0.000 0.970 740 L HN 0.855 nan 8.230 nan 0.000 0.457 741 G N 0.771 109.591 108.800 0.033 0.000 2.574 741 G HA2 -0.409 3.551 3.960 -0.001 0.000 0.286 741 G HA3 -0.409 3.551 3.960 -0.001 0.000 0.286 741 G C 0.082 175.009 174.900 0.045 0.000 1.212 741 G CA 0.276 45.399 45.100 0.038 0.000 0.979 741 G HN 0.364 nan 8.290 nan 0.000 0.557 742 Q N 1.606 121.437 119.800 0.051 0.000 2.700 742 Q HA 0.467 4.807 4.340 -0.001 0.000 0.249 742 Q C -2.202 173.840 176.000 0.070 0.000 1.033 742 Q CA -1.634 54.203 55.803 0.057 0.000 0.804 742 Q CB 1.199 29.968 28.738 0.052 0.000 1.164 742 Q HN 0.585 nan 8.270 nan 0.000 0.500 743 P HA 0.077 nan 4.420 nan 0.000 0.274 743 P C -0.524 176.845 177.300 0.116 0.000 1.237 743 P CA -0.325 62.827 63.100 0.086 0.000 0.793 743 P CB 1.108 32.838 31.700 0.051 0.000 0.977 744 V N 2.012 122.033 119.914 0.179 0.000 2.530 744 V HA 0.143 4.263 4.120 -0.001 0.000 0.282 744 V C 0.489 176.743 176.094 0.266 0.000 1.048 744 V CA -0.246 62.184 62.300 0.215 0.000 0.997 744 V CB 1.210 33.201 31.823 0.279 0.000 0.987 744 V HN 0.254 nan 8.190 nan 0.000 0.477 745 V N 6.292 126.304 119.914 0.162 0.000 2.495 745 V HA 0.484 4.604 4.120 -0.001 0.000 0.298 745 V C -0.447 175.669 176.094 0.036 0.000 1.031 745 V CA -0.635 61.737 62.300 0.120 0.000 0.871 745 V CB 1.712 33.563 31.823 0.048 0.000 0.988 745 V HN 0.671 nan 8.190 nan 0.000 0.432 746 L N 6.549 127.787 121.223 0.025 0.000 2.325 746 L HA 0.730 5.070 4.340 -0.001 0.000 0.281 746 L C -0.646 176.109 176.870 -0.192 0.000 1.004 746 L CA -0.020 54.708 54.840 -0.187 0.000 0.823 746 L CB 1.778 43.618 42.059 -0.365 0.000 1.236 746 L HN 0.442 nan 8.230 nan 0.000 0.415 747 V N 4.066 123.859 119.914 -0.202 0.000 2.384 747 V HA 0.552 4.671 4.120 -0.001 0.000 0.287 747 V C 0.009 176.033 176.094 -0.116 0.000 1.020 747 V CA -0.395 61.809 62.300 -0.159 0.000 0.850 747 V CB 1.519 33.266 31.823 -0.128 0.000 0.987 747 V HN 0.841 nan 8.190 nan 0.000 0.436 748 T N 5.338 119.853 114.554 -0.066 0.000 2.779 748 T HA 0.456 4.805 4.350 -0.001 0.000 0.280 748 T C -0.407 174.321 174.700 0.048 0.000 0.987 748 T CA -0.581 61.536 62.100 0.028 0.000 0.966 748 T CB 1.196 70.120 68.868 0.093 0.000 0.933 748 T HN 0.659 nan 8.240 nan 0.000 0.442 749 K N 2.319 122.764 120.400 0.076 0.000 2.450 749 K HA 0.683 5.002 4.320 -0.001 0.000 0.257 749 K C -0.395 176.265 176.600 0.100 0.000 0.953 749 K CA -0.576 55.756 56.287 0.075 0.000 0.844 749 K CB 1.056 33.593 32.500 0.062 0.000 1.103 749 K HN 0.797 nan 8.250 nan 0.000 0.429 750 G N 2.112 110.969 108.800 0.094 0.000 2.680 750 G HA2 0.173 4.132 3.960 -0.001 0.000 0.290 750 G HA3 0.173 4.132 3.960 -0.001 0.000 0.290 750 G C -0.265 174.682 174.900 0.078 0.000 1.355 750 G CA -0.622 44.535 45.100 0.096 0.000 0.903 750 G HN 0.642 nan 8.290 nan 0.000 0.474 751 K N -0.483 119.959 120.400 0.070 0.000 2.097 751 K HA 0.117 4.436 4.320 -0.001 0.000 0.205 751 K C 1.703 178.340 176.600 0.062 0.000 1.050 751 K CA 1.041 57.365 56.287 0.062 0.000 0.938 751 K CB -0.143 32.390 32.500 0.054 0.000 0.718 751 K HN 0.429 nan 8.250 nan 0.000 0.442 752 L N -0.734 120.527 121.223 0.064 0.000 2.425 752 L HA 0.206 4.545 4.340 -0.001 0.000 0.215 752 L C 0.630 177.537 176.870 0.061 0.000 1.065 752 L CA 0.092 54.969 54.840 0.063 0.000 0.842 752 L CB 0.388 42.488 42.059 0.067 0.000 1.033 752 L HN 0.161 nan 8.230 nan 0.000 0.474 753 E N -0.227 120.014 120.200 0.069 0.000 2.321 753 E HA 0.395 4.744 4.350 -0.001 0.000 0.281 753 E C -1.512 175.134 176.600 0.077 0.000 0.910 753 E CA -0.213 56.228 56.400 0.068 0.000 0.770 753 E CB 2.224 31.963 29.700 0.065 0.000 1.225 753 E HN -0.122 nan 8.360 nan 0.000 0.417 754 S N 1.198 116.941 115.700 0.071 0.000 2.634 754 S HA 0.779 5.248 4.470 -0.001 0.000 0.296 754 S C -1.266 173.360 174.600 0.045 0.000 1.104 754 S CA -0.677 57.561 58.200 0.063 0.000 0.920 754 S CB 1.788 65.027 63.200 0.065 0.000 1.111 754 S HN 0.622 nan 8.310 nan 0.000 0.493 755 S N -0.174 115.529 115.700 0.005 0.000 2.565 755 S HA 0.737 5.206 4.470 -0.001 0.000 0.269 755 S C -1.670 172.840 174.600 -0.151 0.000 1.153 755 S CA -0.747 57.428 58.200 -0.042 0.000 0.835 755 S CB 1.069 64.265 63.200 -0.006 0.000 1.122 755 S HN 0.448 nan 8.310 nan 0.000 0.462 756 V N 1.871 121.630 119.914 -0.259 0.000 2.444 756 V HA 0.730 4.849 4.120 -0.001 0.000 0.294 756 V C -0.467 175.489 176.094 -0.231 0.000 1.022 756 V CA -0.378 61.698 62.300 -0.373 0.000 0.850 756 V CB 1.561 32.841 31.823 -0.905 0.000 0.992 756 V HN 0.989 nan 8.190 nan 0.000 0.426 757 S N 3.250 118.875 115.700 -0.126 0.000 2.500 757 S HA 0.787 5.256 4.470 -0.001 0.000 0.301 757 S C -0.834 173.715 174.600 -0.085 0.000 1.092 757 S CA -0.609 57.534 58.200 -0.095 0.000 1.030 757 S CB 2.127 65.384 63.200 0.095 0.000 1.031 757 S HN 0.657 nan 8.310 nan 0.000 0.483 758 V N 2.051 121.783 119.914 -0.302 0.000 2.760 758 V HA 0.820 4.939 4.120 -0.001 0.000 0.309 758 V C -0.089 175.627 176.094 -0.629 0.000 1.077 758 V CA -0.425 61.703 62.300 -0.286 0.000 0.910 758 V CB 1.841 33.634 31.823 -0.050 0.000 1.008 758 V HN 0.988 nan 8.190 nan 0.000 0.424 759 G N 6.946 115.395 108.800 -0.585 0.000 2.663 759 G HA2 0.528 4.487 3.960 -0.001 0.000 0.320 759 G HA3 0.528 4.487 3.960 -0.001 0.000 0.320 759 G C -0.511 174.268 174.900 -0.200 0.000 0.937 759 G CA -0.361 44.445 45.100 -0.490 0.000 1.332 759 G HN 0.705 nan 8.290 nan 0.000 0.461 760 L N 2.520 123.582 121.223 -0.268 0.000 2.416 760 L HA 0.369 4.708 4.340 -0.001 0.000 0.262 760 L C -1.987 174.764 176.870 -0.198 0.000 1.093 760 L CA -2.260 52.449 54.840 -0.217 0.000 0.801 760 L CB 1.568 43.424 42.059 -0.339 0.000 1.191 760 L HN 0.198 nan 8.230 nan 0.000 0.459 761 P HA 0.050 nan 4.420 nan 0.000 0.262 761 P C 0.061 177.253 177.300 -0.179 0.000 1.199 761 P CA 0.497 63.517 63.100 -0.135 0.000 0.763 761 P CB 0.864 32.511 31.700 -0.088 0.000 0.790 762 S N -0.103 115.495 115.700 -0.170 0.000 2.691 762 S HA -0.111 4.358 4.470 -0.001 0.000 0.262 762 S C 0.196 174.673 174.600 -0.204 0.000 1.284 762 S CA 1.214 59.320 58.200 -0.157 0.000 1.372 762 S CB -1.497 61.635 63.200 -0.112 0.000 1.693 762 S HN 0.393 nan 8.310 nan 0.000 0.647 763 V N 1.390 121.127 119.914 -0.296 0.000 2.655 763 V HA 0.451 4.571 4.120 -0.001 0.000 0.301 763 V C -0.240 175.622 176.094 -0.388 0.000 1.082 763 V CA -0.799 61.282 62.300 -0.365 0.000 0.899 763 V CB 2.071 33.504 31.823 -0.651 0.000 1.014 763 V HN 0.113 nan 8.190 nan 0.000 0.429 764 V N 4.130 123.830 119.914 -0.357 0.000 2.368 764 V HA 0.323 4.442 4.120 -0.001 0.000 0.266 764 V C -0.152 175.735 176.094 -0.345 0.000 1.045 764 V CA -0.313 61.678 62.300 -0.514 0.000 0.899 764 V CB 0.726 32.137 31.823 -0.687 0.000 1.006 764 V HN 0.933 nan 8.190 nan 0.000 0.470 765 H N 4.462 123.276 119.070 -0.426 0.000 2.476 765 H HA 0.588 5.144 4.556 -0.001 0.000 0.328 765 H C -0.427 174.786 175.328 -0.193 0.000 1.073 765 H CA -0.197 55.705 56.048 -0.243 0.000 1.229 765 H CB 1.198 30.847 29.762 -0.189 0.000 1.432 765 H HN 0.684 nan 8.280 nan 0.000 0.477 766 Q N 3.892 123.394 119.800 -0.498 0.000 2.323 766 Q HA 0.389 4.728 4.340 -0.001 0.000 0.271 766 Q C -1.305 174.484 176.000 -0.351 0.000 1.048 766 Q CA -0.925 54.666 55.803 -0.354 0.000 0.792 766 Q CB 1.638 30.277 28.738 -0.164 0.000 1.280 766 Q HN 0.758 nan 8.270 nan 0.000 0.441 767 T N 4.766 119.193 114.554 -0.213 0.000 2.770 767 T HA 0.542 4.892 4.350 -0.001 0.000 0.283 767 T C -0.366 174.356 174.700 0.038 0.000 0.988 767 T CA -0.321 61.776 62.100 -0.005 0.000 0.957 767 T CB 0.303 69.330 68.868 0.265 0.000 0.930 767 T HN 0.448 nan 8.240 nan 0.000 0.443 768 I N 3.602 124.210 120.570 0.063 0.000 2.474 768 I HA 0.506 4.675 4.170 -0.001 0.000 0.294 768 I C -0.272 175.898 176.117 0.089 0.000 1.005 768 I CA -0.814 60.523 61.300 0.062 0.000 1.113 768 I CB 1.814 39.841 38.000 0.044 0.000 1.289 768 I HN 0.385 nan 8.210 nan 0.000 0.436 769 M N 5.759 125.411 119.600 0.088 0.000 2.253 769 M HA 0.482 4.961 4.480 -0.001 0.000 0.314 769 M C 0.184 176.526 176.300 0.070 0.000 1.019 769 M CA -0.350 55.005 55.300 0.091 0.000 0.932 769 M CB 2.283 34.953 32.600 0.117 0.000 1.606 769 M HN 0.485 nan 8.290 nan 0.000 0.430 770 R N 1.067 121.602 120.500 0.059 0.000 2.565 770 R HA 0.348 4.687 4.340 -0.001 0.000 0.347 770 R C 0.815 177.142 176.300 0.045 0.000 1.010 770 R CA 0.294 56.422 56.100 0.048 0.000 1.126 770 R CB 1.088 31.409 30.300 0.035 0.000 1.331 770 R HN 1.148 nan 8.270 nan 0.000 0.552 771 G N -0.425 108.405 108.800 0.049 0.000 2.231 771 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.206 771 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.206 771 G C 0.287 175.207 174.900 0.034 0.000 0.996 771 G CA -0.350 44.775 45.100 0.042 0.000 0.645 771 G HN 0.519 nan 8.290 nan 0.000 0.498 772 G N -0.057 108.764 108.800 0.034 0.000 3.252 772 G HA2 0.793 4.752 3.960 -0.001 0.000 0.181 772 G HA3 0.793 4.752 3.960 -0.001 0.000 0.181 772 G C 0.463 175.382 174.900 0.031 0.000 1.187 772 G CA 0.451 45.566 45.100 0.025 0.000 0.886 772 G HN 1.533 nan 8.290 nan 0.000 0.615 773 A N 1.472 124.308 122.820 0.027 0.000 2.540 773 A HA 0.518 4.837 4.320 -0.001 0.000 0.239 773 A C -1.744 175.876 177.584 0.060 0.000 1.061 773 A CA -0.457 51.602 52.037 0.036 0.000 0.758 773 A CB -0.447 18.572 19.000 0.031 0.000 0.991 773 A HN 0.382 nan 8.150 nan 0.000 0.502 774 P HA 0.140 nan 4.420 nan 0.000 0.272 774 P C -0.467 176.902 177.300 0.116 0.000 1.230 774 P CA -0.144 63.020 63.100 0.107 0.000 0.788 774 P CB 0.628 32.414 31.700 0.143 0.000 0.949 775 E N 1.091 121.357 120.200 0.111 0.000 2.166 775 E HA 0.406 4.755 4.350 -0.001 0.000 0.275 775 E C -0.837 175.838 176.600 0.125 0.000 0.941 775 E CA -0.732 55.737 56.400 0.114 0.000 0.784 775 E CB 0.613 30.356 29.700 0.072 0.000 1.115 775 E HN 0.196 nan 8.360 nan 0.000 0.399 776 I N 4.044 124.723 120.570 0.180 0.000 2.404 776 I HA 0.420 4.590 4.170 -0.001 0.000 0.293 776 I C -0.027 176.211 176.117 0.202 0.000 0.992 776 I CA -0.622 60.766 61.300 0.146 0.000 1.149 776 I CB 1.274 39.375 38.000 0.169 0.000 1.315 776 I HN 0.574 nan 8.210 nan 0.000 0.446 777 R N 4.617 125.166 120.500 0.081 0.000 2.561 777 R HA 0.500 4.840 4.340 -0.001 0.000 0.297 777 R C -0.953 175.403 176.300 0.094 0.000 0.969 777 R CA -0.851 55.310 56.100 0.102 0.000 0.879 777 R CB 2.029 32.346 30.300 0.027 0.000 1.178 777 R HN 0.460 nan 8.270 nan 0.000 0.445 778 N N 2.642 121.457 118.700 0.191 0.000 2.443 778 N HA 0.190 4.929 4.740 -0.001 0.000 0.269 778 N C -1.279 174.247 175.510 0.027 0.000 0.985 778 N CA -0.695 52.444 53.050 0.148 0.000 0.921 778 N CB 1.865 40.545 38.487 0.322 0.000 1.195 778 N HN 0.319 nan 8.380 nan 0.000 0.492 779 L N 3.740 124.919 121.223 -0.072 0.000 2.282 779 L HA 0.356 4.695 4.340 -0.001 0.000 0.287 779 L C -0.960 175.837 176.870 -0.120 0.000 1.075 779 L CA -0.450 54.326 54.840 -0.106 0.000 0.839 779 L CB 0.403 42.390 42.059 -0.121 0.000 1.219 779 L HN 0.212 nan 8.230 nan 0.000 0.434 780 V N 4.566 124.411 119.914 -0.114 0.000 2.350 780 V HA 0.375 4.494 4.120 -0.001 0.000 0.276 780 V C -0.413 175.637 176.094 -0.073 0.000 1.028 780 V CA -0.497 61.752 62.300 -0.085 0.000 0.860 780 V CB 1.271 33.075 31.823 -0.031 0.000 0.990 780 V HN 0.673 nan 8.190 nan 0.000 0.453 781 D N 4.032 124.388 120.400 -0.073 0.000 2.375 781 D HA 0.259 4.898 4.640 -0.001 0.000 0.259 781 D C 0.525 176.795 176.300 -0.050 0.000 1.235 781 D CA -0.410 53.557 54.000 -0.055 0.000 0.924 781 D CB 1.343 42.105 40.800 -0.062 0.000 1.143 781 D HN 0.465 nan 8.370 nan 0.000 0.529 782 I N 2.279 122.837 120.570 -0.021 0.000 2.916 782 I HA 0.059 4.229 4.170 -0.001 0.000 0.267 782 I C 1.385 177.491 176.117 -0.018 0.000 1.263 782 I CA 1.149 62.443 61.300 -0.011 0.000 1.471 782 I CB -0.211 37.803 38.000 0.024 0.000 1.089 782 I HN 0.613 nan 8.210 nan 0.000 0.468 783 G N 0.817 109.603 108.800 -0.024 0.000 2.611 783 G HA2 -0.431 3.529 3.960 -0.001 0.000 0.301 783 G HA3 -0.431 3.529 3.960 -0.001 0.000 0.301 783 G C 0.564 175.457 174.900 -0.012 0.000 1.233 783 G CA 0.477 45.560 45.100 -0.028 0.000 0.993 783 G HN 0.705 nan 8.290 nan 0.000 0.553 784 S N -0.101 115.591 115.700 -0.014 0.000 2.574 784 S HA 0.550 5.019 4.470 -0.001 0.000 0.242 784 S C 0.742 175.342 174.600 0.002 0.000 0.982 784 S CA 0.007 58.206 58.200 -0.002 0.000 0.977 784 S CB 0.074 63.273 63.200 -0.001 0.000 0.814 784 S HN 0.692 nan 8.310 nan 0.000 0.464 785 L N 3.026 124.250 121.223 0.001 0.000 2.536 785 L HA 0.269 4.608 4.340 -0.001 0.000 0.282 785 L C -0.319 176.563 176.870 0.021 0.000 1.174 785 L CA -0.261 54.584 54.840 0.008 0.000 0.989 785 L CB -0.518 41.545 42.059 0.007 0.000 1.311 785 L HN 0.160 nan 8.230 nan 0.000 0.455 786 D N 2.986 123.398 120.400 0.020 0.000 2.362 786 D HA 0.026 4.665 4.640 -0.001 0.000 0.242 786 D C 0.667 176.987 176.300 0.033 0.000 1.132 786 D CA 0.110 54.126 54.000 0.026 0.000 0.907 786 D CB 0.407 41.219 40.800 0.020 0.000 1.195 786 D HN 0.321 nan 8.370 nan 0.000 0.429 787 N N 0.422 119.147 118.700 0.040 0.000 2.725 787 N HA -0.173 4.566 4.740 -0.001 0.000 0.251 787 N C -0.949 174.602 175.510 0.069 0.000 1.031 787 N CA 0.847 53.928 53.050 0.051 0.000 0.720 787 N CB -1.175 37.335 38.487 0.037 0.000 0.930 787 N HN 0.288 nan 8.380 nan 0.000 0.543 788 T N 0.461 115.061 114.554 0.075 0.000 2.916 788 T HA 0.394 4.743 4.350 -0.001 0.000 0.298 788 T C -0.327 174.439 174.700 0.110 0.000 1.031 788 T CA -0.733 61.423 62.100 0.093 0.000 0.993 788 T CB 2.277 71.185 68.868 0.066 0.000 1.045 788 T HN 0.035 nan 8.240 nan 0.000 0.454 789 E N 2.584 122.880 120.200 0.159 0.000 2.199 789 E HA 0.457 4.806 4.350 -0.001 0.000 0.265 789 E C -0.719 175.998 176.600 0.195 0.000 0.882 789 E CA -0.657 55.835 56.400 0.154 0.000 0.759 789 E CB 2.248 32.017 29.700 0.115 0.000 1.148 789 E HN 0.491 nan 8.360 nan 0.000 0.412 790 I N 2.823 123.490 120.570 0.163 0.000 2.331 790 I HA 0.227 4.396 4.170 -0.001 0.000 0.292 790 I C -0.220 176.031 176.117 0.223 0.000 0.998 790 I CA -0.793 60.615 61.300 0.180 0.000 1.267 790 I CB 1.378 39.471 38.000 0.155 0.000 1.386 790 I HN 0.209 nan 8.210 nan 0.000 0.476 791 V N 8.075 128.121 119.914 0.219 0.000 2.628 791 V HA 0.503 4.622 4.120 -0.001 0.000 0.306 791 V C -0.472 175.655 176.094 0.054 0.000 1.045 791 V CA -0.728 61.686 62.300 0.190 0.000 0.905 791 V CB 2.027 34.020 31.823 0.283 0.000 0.997 791 V HN 0.754 nan 8.190 nan 0.000 0.436 792 M N 7.180 126.738 119.600 -0.071 0.000 2.149 792 M HA 0.568 5.047 4.480 -0.001 0.000 0.342 792 M C -0.574 175.578 176.300 -0.247 0.000 1.068 792 M CA -0.445 54.590 55.300 -0.441 0.000 0.991 792 M CB 0.633 32.930 32.600 -0.505 0.000 1.596 792 M HN 0.749 nan 8.290 nan 0.000 0.439 793 R N 4.677 125.016 120.500 -0.268 0.000 2.637 793 R HA 0.688 5.028 4.340 -0.001 0.000 0.291 793 R C -1.916 174.280 176.300 -0.174 0.000 0.963 793 R CA -0.618 55.387 56.100 -0.159 0.000 0.901 793 R CB 1.461 31.685 30.300 -0.126 0.000 1.160 793 R HN 0.805 nan 8.270 nan 0.000 0.457 794 L N 3.392 124.492 121.223 -0.204 0.000 2.296 794 L HA 0.416 4.755 4.340 -0.001 0.000 0.286 794 L C -0.481 176.266 176.870 -0.205 0.000 1.023 794 L CA -0.403 54.241 54.840 -0.326 0.000 0.812 794 L CB 1.896 43.712 42.059 -0.404 0.000 1.223 794 L HN 0.607 nan 8.230 nan 0.000 0.421 795 E N 2.117 122.212 120.200 -0.175 0.000 2.158 795 E HA 0.512 4.861 4.350 -0.001 0.000 0.271 795 E C -0.582 175.952 176.600 -0.110 0.000 0.911 795 E CA -0.489 55.859 56.400 -0.087 0.000 0.767 795 E CB 2.154 31.850 29.700 -0.007 0.000 1.120 795 E HN 0.619 nan 8.360 nan 0.000 0.405 796 T N -1.307 113.193 114.554 -0.090 0.000 2.804 796 T HA 0.309 4.658 4.350 -0.001 0.000 0.290 796 T C 0.219 174.907 174.700 -0.021 0.000 1.099 796 T CA -0.667 61.359 62.100 -0.123 0.000 1.011 796 T CB 1.062 69.876 68.868 -0.089 0.000 1.291 796 T HN 0.578 nan 8.240 nan 0.000 0.523 797 H N -0.789 118.270 119.070 -0.020 0.000 2.551 797 H HA 0.410 4.965 4.556 -0.001 0.000 0.271 797 H C 0.241 175.567 175.328 -0.003 0.000 0.984 797 H CA -0.490 55.552 56.048 -0.010 0.000 1.164 797 H CB 0.072 29.828 29.762 -0.010 0.000 1.437 797 H HN 0.326 nan 8.280 nan 0.000 0.550 798 I N 1.785 122.420 120.570 0.109 0.000 2.683 798 I HA -0.127 4.043 4.170 -0.001 0.000 0.286 798 I C 0.484 176.644 176.117 0.072 0.000 1.175 798 I CA 0.249 61.594 61.300 0.075 0.000 1.429 798 I CB 0.456 38.489 38.000 0.055 0.000 1.371 798 I HN 0.155 nan 8.210 nan 0.000 0.569 799 D N 4.726 125.163 120.400 0.062 0.000 2.713 799 D HA 0.033 4.672 4.640 -0.001 0.000 0.229 799 D C 1.223 177.562 176.300 0.064 0.000 1.136 799 D CA -0.026 54.006 54.000 0.053 0.000 1.010 799 D CB 0.341 41.163 40.800 0.038 0.000 1.084 799 D HN 0.555 nan 8.370 nan 0.000 0.495 800 S N 0.200 115.945 115.700 0.075 0.000 2.501 800 S HA 0.261 4.730 4.470 -0.001 0.000 0.220 800 S C 1.573 176.225 174.600 0.087 0.000 0.997 800 S CA 0.300 58.559 58.200 0.098 0.000 0.919 800 S CB -0.087 63.183 63.200 0.117 0.000 0.778 800 S HN 0.519 nan 8.310 nan 0.000 0.523 801 G N 3.169 112.009 108.800 0.067 0.000 2.543 801 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.286 801 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.286 801 G C 0.097 175.039 174.900 0.070 0.000 1.153 801 G CA 0.544 45.679 45.100 0.059 0.000 0.968 801 G HN 0.759 nan 8.290 nan 0.000 0.544 802 D N 0.170 120.615 120.400 0.076 0.000 2.440 802 D HA 0.361 5.001 4.640 -0.001 0.000 0.216 802 D C 0.690 177.073 176.300 0.137 0.000 1.150 802 D CA -0.227 53.835 54.000 0.104 0.000 0.832 802 D CB 0.300 41.147 40.800 0.078 0.000 0.992 802 D HN 0.460 nan 8.370 nan 0.000 0.502 803 I N 1.469 122.105 120.570 0.111 0.000 2.437 803 I HA 0.498 4.667 4.170 -0.001 0.000 0.298 803 I C -0.270 175.938 176.117 0.151 0.000 0.984 803 I CA -1.043 60.268 61.300 0.018 0.000 1.214 803 I CB 0.667 38.647 38.000 -0.034 0.000 1.365 803 I HN -0.033 nan 8.210 nan 0.000 0.469 804 F N 4.459 124.230 119.950 -0.297 0.000 2.745 804 F HA 0.684 5.210 4.527 -0.001 0.000 0.316 804 F C -2.032 173.412 175.800 -0.593 0.000 1.155 804 F CA -1.429 56.415 58.000 -0.261 0.000 0.937 804 F CB 1.187 40.106 39.000 -0.136 0.000 1.361 804 F HN 0.183 nan 8.300 nan 0.000 0.472 805 Y N 0.049 120.118 120.300 -0.385 0.000 2.425 805 Y HA 0.677 5.227 4.550 -0.001 0.000 0.344 805 Y C 0.024 175.750 175.900 -0.290 0.000 0.969 805 Y CA -0.678 57.062 58.100 -0.601 0.000 1.052 805 Y CB 2.458 40.130 38.460 -1.314 0.000 1.215 805 Y HN 0.894 nan 8.280 nan 0.000 0.451 806 T N -1.311 113.163 114.554 -0.134 0.000 2.906 806 T HA 0.462 4.811 4.350 -0.001 0.000 0.295 806 T C -1.040 173.464 174.700 -0.326 0.000 1.075 806 T CA -1.091 60.948 62.100 -0.101 0.000 1.005 806 T CB 1.986 70.772 68.868 -0.137 0.000 1.136 806 T HN 0.585 nan 8.240 nan 0.000 0.498 807 D N 1.179 121.230 120.400 -0.583 0.000 2.340 807 D HA 0.345 4.984 4.640 -0.001 0.000 0.251 807 D C -0.604 175.423 176.300 -0.455 0.000 1.080 807 D CA -0.775 52.694 54.000 -0.885 0.000 0.971 807 D CB 1.224 41.282 40.800 -1.237 0.000 1.137 807 D HN 0.553 nan 8.370 nan 0.000 0.475 808 L N 1.026 122.026 121.223 -0.372 0.000 2.316 808 L HA 0.214 4.554 4.340 -0.001 0.000 0.280 808 L C -0.126 176.621 176.870 -0.206 0.000 1.006 808 L CA -0.780 53.933 54.840 -0.212 0.000 0.836 808 L CB 0.442 42.440 42.059 -0.102 0.000 1.221 808 L HN 0.457 nan 8.230 nan 0.000 0.418 809 N N 2.085 120.672 118.700 -0.187 0.000 2.714 809 N HA -0.228 4.511 4.740 -0.001 0.000 0.250 809 N C 0.981 176.291 175.510 -0.332 0.000 1.117 809 N CA 0.906 53.848 53.050 -0.181 0.000 0.719 809 N CB -1.062 37.390 38.487 -0.059 0.000 1.081 809 N HN 1.074 nan 8.380 nan 0.000 0.557 810 G N -1.618 106.992 108.800 -0.318 0.000 2.166 810 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.260 810 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.260 810 G C 0.621 175.488 174.900 -0.055 0.000 0.986 810 G CA 0.688 45.627 45.100 -0.268 0.000 0.683 810 G HN 0.480 nan 8.290 nan 0.000 0.527 811 L N -0.416 120.710 121.223 -0.162 0.000 2.467 811 L HA 0.495 4.835 4.340 -0.001 0.000 0.213 811 L C 1.007 177.751 176.870 -0.211 0.000 1.053 811 L CA 1.954 56.606 54.840 -0.315 0.000 0.847 811 L CB 0.145 41.859 42.059 -0.574 0.000 1.075 811 L HN 0.703 nan 8.230 nan 0.000 0.479 812 Q N -1.859 117.828 119.800 -0.188 0.000 2.482 812 Q HA 0.355 4.695 4.340 -0.001 0.000 0.286 812 Q C -1.687 174.206 176.000 -0.177 0.000 1.007 812 Q CA -0.747 55.013 55.803 -0.072 0.000 0.801 812 Q CB 1.156 29.907 28.738 0.023 0.000 1.455 812 Q HN -0.046 nan 8.270 nan 0.000 0.398 813 F N 1.244 121.151 119.950 -0.072 0.000 2.436 813 F HA 0.601 5.127 4.527 -0.001 0.000 0.340 813 F C -0.204 175.559 175.800 -0.062 0.000 1.113 813 F CA -0.836 57.134 58.000 -0.050 0.000 1.022 813 F CB 1.706 40.724 39.000 0.031 0.000 1.128 813 F HN 0.532 nan 8.300 nan 0.000 0.466 814 I N 3.781 124.352 120.570 0.001 0.000 2.474 814 I HA 0.338 4.508 4.170 -0.001 0.000 0.294 814 I C -0.488 175.482 176.117 -0.245 0.000 1.005 814 I CA -0.869 60.380 61.300 -0.085 0.000 1.113 814 I CB 1.266 39.170 38.000 -0.161 0.000 1.289 814 I HN 0.505 nan 8.210 nan 0.000 0.436 815 K N 6.618 126.832 120.400 -0.309 0.000 2.412 815 K HA 0.255 4.574 4.320 -0.001 0.000 0.281 815 K C -0.835 175.315 176.600 -0.750 0.000 1.027 815 K CA -0.328 55.502 56.287 -0.762 0.000 0.989 815 K CB 0.507 32.703 32.500 -0.507 0.000 0.935 815 K HN 0.497 nan 8.250 nan 0.000 0.475 816 R N 3.218 123.091 120.500 -1.045 0.000 2.711 816 R HA 0.357 4.697 4.340 -0.001 0.000 0.284 816 R C -0.551 175.259 176.300 -0.817 0.000 0.968 816 R CA -0.808 54.617 56.100 -1.125 0.000 0.924 816 R CB 1.567 30.657 30.300 -2.016 0.000 1.162 816 R HN 0.657 nan 8.270 nan 0.000 0.465 817 R N 1.440 121.676 120.500 -0.439 0.000 2.476 817 R HA 0.293 4.632 4.340 -0.001 0.000 0.305 817 R C -0.475 175.870 176.300 0.076 0.000 0.965 817 R CA -0.683 55.333 56.100 -0.140 0.000 0.867 817 R CB 1.529 31.787 30.300 -0.070 0.000 1.176 817 R HN 0.546 nan 8.270 nan 0.000 0.447 818 R N 4.732 125.379 120.500 0.246 0.000 2.522 818 R HA 0.120 4.459 4.340 -0.001 0.000 0.284 818 R C -0.966 175.420 176.300 0.143 0.000 1.032 818 R CA 0.227 56.499 56.100 0.288 0.000 1.049 818 R CB 0.409 30.862 30.300 0.256 0.000 0.956 818 R HN 0.534 nan 8.270 nan 0.000 0.422 819 L N 4.955 126.241 121.223 0.105 0.000 2.342 819 L HA 0.222 4.562 4.340 -0.001 0.000 0.276 819 L C 0.098 176.963 176.870 -0.007 0.000 0.997 819 L CA -0.694 54.165 54.840 0.032 0.000 0.838 819 L CB 1.970 44.022 42.059 -0.013 0.000 1.224 819 L HN 0.685 nan 8.230 nan 0.000 0.416 820 D N 1.619 122.022 120.400 0.005 0.000 2.348 820 D HA -0.120 4.520 4.640 -0.001 0.000 0.216 820 D C 1.748 178.032 176.300 -0.026 0.000 0.970 820 D CA 0.804 54.801 54.000 -0.005 0.000 0.889 820 D CB 0.357 41.163 40.800 0.010 0.000 0.912 820 D HN 0.552 nan 8.370 nan 0.000 0.524 821 K N 0.284 120.661 120.400 -0.038 0.000 2.439 821 K HA -0.015 4.304 4.320 -0.001 0.000 0.197 821 K C 0.689 177.227 176.600 -0.103 0.000 1.041 821 K CA 0.409 56.669 56.287 -0.046 0.000 0.970 821 K CB 0.256 32.744 32.500 -0.021 0.000 0.773 821 K HN 0.119 nan 8.250 nan 0.000 0.479 822 L N 2.215 123.338 121.223 -0.168 0.000 2.334 822 L HA 0.451 4.790 4.340 -0.001 0.000 0.272 822 L C -2.237 174.528 176.870 -0.175 0.000 1.020 822 L CA -2.939 51.759 54.840 -0.237 0.000 0.812 822 L CB 1.340 43.156 42.059 -0.404 0.000 1.264 822 L HN -0.050 nan 8.230 nan 0.000 0.439 823 P HA 0.030 nan 4.420 nan 0.000 0.272 823 P C 0.827 178.004 177.300 -0.206 0.000 1.240 823 P CA -0.380 62.626 63.100 -0.157 0.000 0.791 823 P CB 1.177 32.811 31.700 -0.110 0.000 0.978 824 L N 0.942 122.074 121.223 -0.152 0.000 2.021 824 L HA -0.283 4.056 4.340 -0.001 0.000 0.215 824 L C 2.500 179.283 176.870 -0.146 0.000 1.074 824 L CA 1.921 56.696 54.840 -0.109 0.000 0.760 824 L CB -0.645 41.350 42.059 -0.107 0.000 0.889 824 L HN 0.429 nan 8.230 nan 0.000 0.433 825 Q N -0.254 119.351 119.800 -0.326 0.000 2.291 825 Q HA -0.179 4.160 4.340 -0.001 0.000 0.206 825 Q C 1.898 177.794 176.000 -0.173 0.000 0.976 825 Q CA 1.547 57.188 55.803 -0.271 0.000 0.875 825 Q CB -0.561 27.945 28.738 -0.387 0.000 0.927 825 Q HN 0.611 nan 8.270 nan 0.000 0.450 826 A N 1.516 124.019 122.820 -0.529 0.000 2.066 826 A HA -0.056 4.263 4.320 -0.001 0.000 0.218 826 A C 1.643 179.040 177.584 -0.312 0.000 1.157 826 A CA 0.855 52.424 52.037 -0.779 0.000 0.670 826 A CB -0.214 17.994 19.000 -1.320 0.000 0.804 826 A HN 0.360 nan 8.150 nan 0.000 0.453 827 N N -1.232 117.401 118.700 -0.113 0.000 2.336 827 N HA 0.055 4.795 4.740 -0.001 0.000 0.189 827 N C -0.851 174.749 175.510 0.150 0.000 1.113 827 N CA 0.194 53.293 53.050 0.082 0.000 0.858 827 N CB 0.055 38.640 38.487 0.163 0.000 0.970 827 N HN 0.462 nan 8.380 nan 0.000 0.471 828 Y N 0.304 120.555 120.300 -0.081 0.000 2.304 828 Y HA 0.200 4.749 4.550 -0.001 0.000 0.328 828 Y C -0.203 175.632 175.900 -0.109 0.000 1.123 828 Y CA -0.115 58.017 58.100 0.054 0.000 1.218 828 Y CB 0.385 38.954 38.460 0.181 0.000 1.207 828 Y HN -0.066 nan 8.280 nan 0.000 0.495 829 Y N 3.423 123.861 120.300 0.231 0.000 2.605 829 Y HA 0.455 5.005 4.550 -0.001 0.000 0.343 829 Y C -2.297 173.302 175.900 -0.502 0.000 1.036 829 Y CA -2.963 55.119 58.100 -0.029 0.000 1.065 829 Y CB 1.466 39.905 38.460 -0.036 0.000 1.288 829 Y HN 0.442 nan 8.280 nan 0.000 0.481 830 P HA 0.129 nan 4.420 nan 0.000 0.271 830 P C -0.624 176.435 177.300 -0.402 0.000 1.216 830 P CA 0.228 62.746 63.100 -0.969 0.000 0.776 830 P CB 0.595 31.620 31.700 -1.126 0.000 0.881 831 I N 4.962 125.380 120.570 -0.254 0.000 2.620 831 I HA 0.170 4.339 4.170 -0.001 0.000 0.280 831 I C -1.722 174.326 176.117 -0.115 0.000 1.143 831 I CA -2.429 58.792 61.300 -0.131 0.000 1.163 831 I CB 0.819 38.800 38.000 -0.032 0.000 1.461 831 I HN 0.196 nan 8.210 nan 0.000 0.530 832 P HA -0.033 nan 4.420 nan 0.000 0.225 832 P C 1.012 178.285 177.300 -0.045 0.000 1.156 832 P CA 1.075 64.108 63.100 -0.113 0.000 0.787 832 P CB 0.605 32.211 31.700 -0.157 0.000 0.802 833 S N -3.542 112.135 115.700 -0.039 0.000 2.483 833 S HA 0.459 4.929 4.470 -0.001 0.000 0.280 833 S C 0.555 175.242 174.600 0.145 0.000 1.059 833 S CA 0.321 58.553 58.200 0.054 0.000 1.359 833 S CB 0.280 63.534 63.200 0.089 0.000 1.171 833 S HN 0.325 nan 8.310 nan 0.000 0.625 834 G N 1.521 110.407 108.800 0.143 0.000 2.368 834 G HA2 0.551 4.510 3.960 -0.001 0.000 0.293 834 G HA3 0.551 4.510 3.960 -0.001 0.000 0.293 834 G C -1.523 173.617 174.900 0.400 0.000 1.467 834 G CA -0.410 44.896 45.100 0.343 0.000 0.804 834 G HN 0.905 nan 8.290 nan 0.000 0.535 835 M N -0.696 119.164 119.600 0.433 0.000 2.520 835 M HA 0.890 5.369 4.480 -0.001 0.000 0.280 835 M C -1.691 174.846 176.300 0.395 0.000 1.232 835 M CA -1.027 54.490 55.300 0.363 0.000 0.892 835 M CB 2.536 35.258 32.600 0.204 0.000 1.728 835 M HN 1.178 nan 8.290 nan 0.000 0.475 836 F N 0.902 121.002 119.950 0.250 0.000 2.668 836 F HA 0.905 5.431 4.527 -0.001 0.000 0.309 836 F C -1.706 174.229 175.800 0.225 0.000 1.117 836 F CA -1.199 56.885 58.000 0.140 0.000 0.951 836 F CB 1.143 40.136 39.000 -0.011 0.000 1.323 836 F HN 0.777 nan 8.300 nan 0.000 0.451 837 I N -0.088 120.712 120.570 0.384 0.000 2.740 837 I HA 0.892 5.061 4.170 -0.001 0.000 0.303 837 I C -1.353 174.951 176.117 0.312 0.000 1.044 837 I CA -0.888 60.605 61.300 0.321 0.000 1.064 837 I CB 2.381 40.486 38.000 0.175 0.000 1.249 837 I HN 0.951 nan 8.210 nan 0.000 0.433 838 E N 2.025 122.392 120.200 0.279 0.000 2.412 838 E HA 0.547 4.896 4.350 -0.001 0.000 0.279 838 E C -2.038 174.646 176.600 0.140 0.000 0.984 838 E CA -0.844 55.663 56.400 0.178 0.000 0.788 838 E CB 2.212 32.006 29.700 0.156 0.000 1.277 838 E HN 0.743 nan 8.360 nan 0.000 0.455 839 D N 0.579 121.031 120.400 0.086 0.000 2.784 839 D HA 0.458 5.098 4.640 -0.001 0.000 0.256 839 D C 0.925 177.253 176.300 0.047 0.000 1.129 839 D CA -0.171 53.871 54.000 0.070 0.000 1.102 839 D CB 0.014 40.848 40.800 0.057 0.000 1.330 839 D HN 0.451 nan 8.370 nan 0.000 0.626 840 A N -0.664 122.177 122.820 0.035 0.000 1.978 840 A HA -0.178 4.141 4.320 -0.001 0.000 0.220 840 A C 1.541 179.129 177.584 0.006 0.000 1.170 840 A CA 1.672 53.721 52.037 0.021 0.000 0.636 840 A CB -0.732 18.278 19.000 0.017 0.000 0.810 840 A HN 0.525 nan 8.150 nan 0.000 0.448 841 N N -1.856 116.848 118.700 0.005 0.000 2.397 841 N HA 0.077 4.816 4.740 -0.001 0.000 0.190 841 N C -0.456 175.044 175.510 -0.016 0.000 1.099 841 N CA 0.724 53.770 53.050 -0.007 0.000 0.876 841 N CB 0.683 39.168 38.487 -0.004 0.000 1.143 841 N HN 0.312 nan 8.380 nan 0.000 0.468 842 T N 0.547 115.097 114.554 -0.007 0.000 2.893 842 T HA 0.445 4.795 4.350 -0.001 0.000 0.293 842 T C -0.616 174.078 174.700 -0.010 0.000 1.027 842 T CA -0.650 61.441 62.100 -0.015 0.000 0.988 842 T CB 2.837 71.703 68.868 -0.002 0.000 1.043 842 T HN -0.046 nan 8.240 nan 0.000 0.461 843 R N 1.993 122.470 120.500 -0.039 0.000 2.686 843 R HA 0.726 5.065 4.340 -0.001 0.000 0.286 843 R C -1.923 174.355 176.300 -0.036 0.000 0.969 843 R CA -0.904 55.174 56.100 -0.037 0.000 0.898 843 R CB 1.269 31.480 30.300 -0.149 0.000 1.183 843 R HN 0.451 nan 8.270 nan 0.000 0.456 844 L N 2.761 123.994 121.223 0.015 0.000 2.349 844 L HA 0.498 4.837 4.340 -0.001 0.000 0.278 844 L C -1.290 175.621 176.870 0.069 0.000 0.996 844 L CA 0.089 54.932 54.840 0.004 0.000 0.825 844 L CB 2.219 44.268 42.059 -0.018 0.000 1.243 844 L HN 0.640 nan 8.230 nan 0.000 0.412 845 T N 5.719 120.293 114.554 0.033 0.000 2.807 845 T HA 0.555 4.904 4.350 -0.001 0.000 0.279 845 T C -1.029 173.734 174.700 0.105 0.000 0.993 845 T CA -0.279 61.880 62.100 0.099 0.000 0.970 845 T CB 1.383 70.239 68.868 -0.020 0.000 0.950 845 T HN 0.444 nan 8.240 nan 0.000 0.441 846 L N 5.192 126.512 121.223 0.161 0.000 2.298 846 L HA 0.527 4.867 4.340 -0.001 0.000 0.284 846 L C -1.246 175.767 176.870 0.238 0.000 1.013 846 L CA -0.713 54.233 54.840 0.175 0.000 0.824 846 L CB 0.520 42.661 42.059 0.137 0.000 1.221 846 L HN 0.416 nan 8.230 nan 0.000 0.418 847 L N 3.732 125.097 121.223 0.236 0.000 2.343 847 L HA 0.580 4.920 4.340 -0.001 0.000 0.275 847 L C 0.468 177.485 176.870 0.245 0.000 1.056 847 L CA -0.157 54.822 54.840 0.231 0.000 0.804 847 L CB 1.248 43.409 42.059 0.170 0.000 1.203 847 L HN 0.618 nan 8.230 nan 0.000 0.440 848 T N 0.215 114.867 114.554 0.163 0.000 2.887 848 T HA 0.614 4.963 4.350 -0.001 0.000 0.288 848 T C 0.725 175.385 174.700 -0.066 0.000 1.021 848 T CA -0.189 61.928 62.100 0.028 0.000 1.000 848 T CB 1.588 70.500 68.868 0.072 0.000 1.034 848 T HN 0.781 nan 8.240 nan 0.000 0.467 849 G N 2.830 111.514 108.800 -0.193 0.000 3.284 849 G HA2 0.346 4.305 3.960 -0.001 0.000 0.236 849 G HA3 0.346 4.305 3.960 -0.001 0.000 0.236 849 G C -0.007 174.820 174.900 -0.120 0.000 1.158 849 G CA -0.215 44.800 45.100 -0.140 0.000 0.774 849 G HN 0.715 nan 8.290 nan 0.000 0.545 850 Q N -0.194 119.532 119.800 -0.124 0.000 2.479 850 Q HA 0.302 4.641 4.340 -0.001 0.000 0.276 850 Q C -3.537 172.424 176.000 -0.065 0.000 0.989 850 Q CA -2.360 53.398 55.803 -0.076 0.000 0.864 850 Q CB 1.889 30.596 28.738 -0.051 0.000 1.444 850 Q HN -0.010 nan 8.270 nan 0.000 0.388 851 P HA 0.449 nan 4.420 nan 0.000 0.281 851 P C -0.688 176.601 177.300 -0.019 0.000 1.252 851 P CA -0.135 62.949 63.100 -0.027 0.000 0.778 851 P CB 0.971 32.663 31.700 -0.014 0.000 0.895 852 L N 1.699 122.906 121.223 -0.027 0.000 2.491 852 L HA 0.668 5.007 4.340 -0.001 0.000 0.254 852 L C 0.746 177.634 176.870 0.030 0.000 1.048 852 L CA -1.133 53.715 54.840 0.012 0.000 0.855 852 L CB 2.124 44.178 42.059 -0.009 0.000 1.466 852 L HN 0.337 nan 8.230 nan 0.000 0.409 853 G N -0.925 107.950 108.800 0.125 0.000 2.448 853 G HA2 0.679 4.638 3.960 -0.001 0.000 0.285 853 G HA3 0.679 4.638 3.960 -0.001 0.000 0.285 853 G C -0.477 174.453 174.900 0.050 0.000 1.176 853 G CA 0.127 45.355 45.100 0.214 0.000 0.852 853 G HN 0.876 nan 8.290 nan 0.000 0.530 854 G N -1.452 107.191 108.800 -0.262 0.000 2.550 854 G HA2 0.679 4.638 3.960 -0.001 0.000 0.293 854 G HA3 0.679 4.638 3.960 -0.001 0.000 0.293 854 G C -1.189 173.259 174.900 -0.754 0.000 1.402 854 G CA 0.434 45.176 45.100 -0.596 0.000 0.784 854 G HN 1.295 nan 8.290 nan 0.000 0.482 855 S N -1.927 113.391 115.700 -0.636 0.000 2.655 855 S HA 0.711 5.181 4.470 -0.001 0.000 0.266 855 S C -1.580 172.552 174.600 -0.780 0.000 1.149 855 S CA 0.333 58.150 58.200 -0.639 0.000 0.818 855 S CB 1.299 64.190 63.200 -0.516 0.000 1.130 855 S HN 1.569 nan 8.310 nan 0.000 0.476 856 S N 1.690 116.638 115.700 -1.254 0.000 2.718 856 S HA 0.496 4.965 4.470 -0.001 0.000 0.294 856 S C 0.146 174.491 174.600 -0.426 0.000 1.157 856 S CA -0.642 57.098 58.200 -0.766 0.000 1.121 856 S CB 0.031 62.734 63.200 -0.829 0.000 1.015 856 S HN 0.581 nan 8.310 nan 0.000 0.479 857 L N 3.168 124.282 121.223 -0.181 0.000 2.567 857 L HA 0.496 4.835 4.340 -0.001 0.000 0.225 857 L C 0.851 177.713 176.870 -0.013 0.000 1.119 857 L CA 0.245 55.060 54.840 -0.041 0.000 0.871 857 L CB 0.050 42.143 42.059 0.056 0.000 1.036 857 L HN 0.705 nan 8.230 nan 0.000 0.459 858 A N -1.214 121.586 122.820 -0.035 0.000 2.612 858 A HA 0.459 4.778 4.320 -0.001 0.000 0.293 858 A C -0.460 177.120 177.584 -0.007 0.000 1.075 858 A CA -0.431 51.603 52.037 -0.005 0.000 0.680 858 A CB 1.241 20.245 19.000 0.006 0.000 1.279 858 A HN -0.138 nan 8.150 nan 0.000 0.411 859 S N -0.148 115.563 115.700 0.017 0.000 2.558 859 S HA 0.395 4.864 4.470 -0.001 0.000 0.293 859 S C 1.538 176.153 174.600 0.026 0.000 1.292 859 S CA 1.881 60.099 58.200 0.029 0.000 1.063 859 S CB -0.046 63.176 63.200 0.037 0.000 0.831 859 S HN 2.655 nan 8.310 nan 0.000 0.499 860 G N 3.360 112.178 108.800 0.030 0.000 2.184 860 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.264 860 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.264 860 G C -0.152 174.739 174.900 -0.016 0.000 0.975 860 G CA 0.533 45.647 45.100 0.024 0.000 0.642 860 G HN 0.722 nan 8.290 nan 0.000 0.536 861 E N -0.470 119.707 120.200 -0.038 0.000 2.202 861 E HA 0.753 5.102 4.350 -0.001 0.000 0.272 861 E C -0.171 176.360 176.600 -0.115 0.000 0.951 861 E CA -0.720 55.634 56.400 -0.077 0.000 0.813 861 E CB 1.767 31.423 29.700 -0.072 0.000 1.151 861 E HN 0.245 nan 8.360 nan 0.000 0.398 862 L N 1.886 123.034 121.223 -0.125 0.000 2.370 862 L HA 0.480 4.820 4.340 -0.001 0.000 0.266 862 L C -0.540 176.250 176.870 -0.134 0.000 1.002 862 L CA -0.638 54.116 54.840 -0.142 0.000 0.818 862 L CB 1.976 43.981 42.059 -0.090 0.000 1.325 862 L HN 0.658 nan 8.230 nan 0.000 0.418 863 E N 2.892 123.004 120.200 -0.146 0.000 2.366 863 E HA 0.694 5.043 4.350 -0.001 0.000 0.278 863 E C -1.571 174.974 176.600 -0.091 0.000 0.923 863 E CA -0.833 55.515 56.400 -0.087 0.000 0.761 863 E CB 3.342 33.039 29.700 -0.006 0.000 1.231 863 E HN 0.534 nan 8.360 nan 0.000 0.443 864 I N 2.291 122.847 120.570 -0.024 0.000 2.571 864 I HA 0.319 4.489 4.170 -0.001 0.000 0.289 864 I C -1.365 174.814 176.117 0.103 0.000 1.115 864 I CA -1.130 60.179 61.300 0.016 0.000 1.045 864 I CB 1.946 39.957 38.000 0.019 0.000 1.238 864 I HN 0.780 nan 8.210 nan 0.000 0.424 865 M N 6.318 126.018 119.600 0.167 0.000 2.228 865 M HA 0.219 4.698 4.480 -0.001 0.000 0.351 865 M C 0.569 176.967 176.300 0.163 0.000 1.233 865 M CA 0.630 56.036 55.300 0.177 0.000 1.129 865 M CB 0.924 33.604 32.600 0.133 0.000 1.604 865 M HN 0.576 nan 8.290 nan 0.000 0.457 866 Q N 1.424 121.352 119.800 0.215 0.000 2.287 866 Q HA 0.255 4.594 4.340 -0.001 0.000 0.201 866 Q C -0.269 175.936 176.000 0.342 0.000 0.946 866 Q CA 0.817 56.813 55.803 0.321 0.000 0.868 866 Q CB 0.400 29.357 28.738 0.365 0.000 0.967 866 Q HN 0.763 nan 8.270 nan 0.000 0.516 867 D N -0.897 119.636 120.400 0.221 0.000 2.653 867 D HA 0.283 4.922 4.640 -0.001 0.000 0.258 867 D C -1.432 174.938 176.300 0.116 0.000 1.252 867 D CA -0.478 53.629 54.000 0.178 0.000 0.777 867 D CB 1.467 42.362 40.800 0.158 0.000 1.339 867 D HN 0.037 nan 8.370 nan 0.000 0.422 868 R N 0.830 121.388 120.500 0.096 0.000 2.584 868 R HA 0.684 5.023 4.340 -0.001 0.000 0.276 868 R C -1.035 175.308 176.300 0.072 0.000 1.046 868 R CA -1.053 55.088 56.100 0.068 0.000 0.906 868 R CB 2.155 32.469 30.300 0.024 0.000 1.215 868 R HN 0.317 nan 8.270 nan 0.000 0.449 869 R N 3.758 124.298 120.500 0.066 0.000 2.451 869 R HA 0.468 4.807 4.340 -0.001 0.000 0.307 869 R C -1.494 174.839 176.300 0.054 0.000 0.965 869 R CA -0.573 55.562 56.100 0.059 0.000 0.865 869 R CB 1.286 31.616 30.300 0.050 0.000 1.174 869 R HN 0.715 nan 8.270 nan 0.000 0.455 870 L N 3.994 125.247 121.223 0.051 0.000 2.376 870 L HA 0.511 4.850 4.340 -0.001 0.000 0.275 870 L C 0.726 177.620 176.870 0.039 0.000 0.987 870 L CA -0.527 54.342 54.840 0.048 0.000 0.828 870 L CB 2.146 44.236 42.059 0.051 0.000 1.249 870 L HN 0.815 nan 8.230 nan 0.000 0.409 871 A N 1.627 124.467 122.820 0.032 0.000 2.067 871 A HA 0.137 4.456 4.320 -0.001 0.000 0.217 871 A C 0.962 178.559 177.584 0.023 0.000 1.156 871 A CA 0.647 52.699 52.037 0.025 0.000 0.683 871 A CB 0.023 19.034 19.000 0.018 0.000 0.808 871 A HN 0.601 nan 8.150 nan 0.000 0.455 872 S N 0.071 115.785 115.700 0.024 0.000 2.608 872 S HA 0.393 4.862 4.470 -0.001 0.000 0.291 872 S C -0.562 174.056 174.600 0.030 0.000 1.146 872 S CA -0.646 57.567 58.200 0.021 0.000 1.043 872 S CB 1.409 64.617 63.200 0.014 0.000 1.037 872 S HN 0.494 nan 8.310 nan 0.000 0.520 873 D N 0.600 121.018 120.400 0.030 0.000 2.372 873 D HA 0.145 4.784 4.640 -0.001 0.000 0.243 873 D C -0.018 176.302 176.300 0.033 0.000 1.121 873 D CA -0.258 53.768 54.000 0.043 0.000 0.898 873 D CB 0.632 41.456 40.800 0.040 0.000 1.202 873 D HN 0.506 nan 8.370 nan 0.000 0.428 874 D N 2.217 122.644 120.400 0.045 0.000 2.525 874 D HA 0.058 4.697 4.640 -0.001 0.000 0.229 874 D C -0.351 175.921 176.300 -0.047 0.000 1.202 874 D CA -0.262 53.736 54.000 -0.003 0.000 0.828 874 D CB -0.328 40.463 40.800 -0.015 0.000 1.008 874 D HN 0.642 nan 8.370 nan 0.000 0.493 875 E N -0.194 119.999 120.200 -0.011 0.000 2.868 875 E HA -0.209 4.140 4.350 -0.001 0.000 0.278 875 E C 0.203 176.775 176.600 -0.047 0.000 1.009 875 E CA 0.235 56.625 56.400 -0.018 0.000 0.856 875 E CB -0.889 28.798 29.700 -0.023 0.000 1.428 875 E HN 0.283 nan 8.360 nan 0.000 0.423 876 R N -0.455 119.995 120.500 -0.084 0.000 2.509 876 R HA 0.220 4.560 4.340 -0.001 0.000 0.300 876 R C 1.401 177.784 176.300 0.138 0.000 0.985 876 R CA 0.631 56.625 56.100 -0.176 0.000 1.092 876 R CB 0.958 30.746 30.300 -0.852 0.000 1.237 876 R HN 0.398 nan 8.270 nan 0.000 0.546 877 G N 0.916 109.849 108.800 0.222 0.000 2.179 877 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.220 877 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.220 877 G C 0.729 175.729 174.900 0.167 0.000 0.990 877 G CA 0.266 45.552 45.100 0.311 0.000 0.646 877 G HN 0.310 nan 8.290 nan 0.000 0.517 878 L N 1.268 122.672 121.223 0.302 0.000 2.109 878 L HA 0.461 4.800 4.340 -0.001 0.000 0.207 878 L C 2.200 179.052 176.870 -0.030 0.000 1.086 878 L CA 2.731 57.643 54.840 0.120 0.000 0.760 878 L CB -0.542 41.741 42.059 0.374 0.000 0.910 878 L HN 1.689 nan 8.230 nan 0.000 0.437 879 G N -0.443 108.375 108.800 0.030 0.000 2.160 879 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.251 879 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.251 879 G C 0.060 174.962 174.900 0.003 0.000 1.008 879 G CA 0.605 45.704 45.100 -0.002 0.000 0.724 879 G HN 0.788 nan 8.290 nan 0.000 0.514 880 Q N -1.915 117.902 119.800 0.028 0.000 2.575 880 Q HA 0.677 5.017 4.340 -0.001 0.000 0.290 880 Q C 0.403 176.429 176.000 0.045 0.000 0.963 880 Q CA -0.645 55.175 55.803 0.028 0.000 0.783 880 Q CB 0.513 29.264 28.738 0.023 0.000 1.467 880 Q HN 0.941 nan 8.270 nan 0.000 0.402 881 G N 0.042 108.865 108.800 0.038 0.000 2.494 881 G HA2 0.478 4.437 3.960 -0.001 0.000 0.270 881 G HA3 0.478 4.437 3.960 -0.001 0.000 0.270 881 G C -0.887 174.042 174.900 0.048 0.000 1.423 881 G CA -0.649 44.476 45.100 0.043 0.000 1.055 881 G HN 0.385 nan 8.290 nan 0.000 0.536 882 V N 0.854 120.798 119.914 0.050 0.000 2.284 882 V HA 0.336 4.455 4.120 -0.001 0.000 0.274 882 V C 0.171 176.299 176.094 0.057 0.000 1.023 882 V CA -0.130 62.206 62.300 0.060 0.000 0.808 882 V CB 0.822 32.685 31.823 0.067 0.000 1.035 882 V HN 0.544 nan 8.190 nan 0.000 0.445 883 L N 3.348 124.603 121.223 0.054 0.000 3.333 883 L HA 0.319 4.658 4.340 -0.001 0.000 0.299 883 L C 0.562 177.458 176.870 0.045 0.000 1.256 883 L CA 0.039 54.905 54.840 0.044 0.000 1.037 883 L CB 0.739 42.818 42.059 0.033 0.000 1.423 883 L HN 0.666 nan 8.230 nan 0.000 0.605 884 D N -2.120 118.316 120.400 0.060 0.000 2.559 884 D HA 0.061 4.700 4.640 -0.001 0.000 0.234 884 D C 0.127 176.469 176.300 0.070 0.000 1.226 884 D CA -0.459 53.577 54.000 0.061 0.000 0.830 884 D CB -0.398 40.447 40.800 0.074 0.000 1.028 884 D HN 0.067 nan 8.370 nan 0.000 0.492 885 N N 1.714 120.452 118.700 0.064 0.000 2.395 885 N HA 0.098 4.838 4.740 -0.001 0.000 0.246 885 N C 0.182 175.702 175.510 0.016 0.000 1.246 885 N CA 0.363 53.451 53.050 0.062 0.000 0.879 885 N CB 0.653 39.173 38.487 0.055 0.000 1.098 885 N HN 0.317 nan 8.380 nan 0.000 0.444 886 K N -0.334 120.062 120.400 -0.007 0.000 2.512 886 K HA 0.561 4.880 4.320 -0.001 0.000 0.263 886 K C -3.238 173.333 176.600 -0.049 0.000 0.966 886 K CA -2.064 54.174 56.287 -0.082 0.000 0.851 886 K CB 1.340 33.703 32.500 -0.230 0.000 1.395 886 K HN 0.124 nan 8.250 nan 0.000 0.440 887 P HA -0.033 nan 4.420 nan 0.000 0.264 887 P C -1.006 176.311 177.300 0.029 0.000 1.183 887 P CA -0.398 62.681 63.100 -0.036 0.000 0.763 887 P CB 0.725 32.393 31.700 -0.053 0.000 0.807 888 V N 5.166 125.064 119.914 -0.026 0.000 2.841 888 V HA 0.470 4.589 4.120 -0.001 0.000 0.310 888 V C -1.325 174.641 176.094 -0.213 0.000 1.090 888 V CA -1.112 61.154 62.300 -0.056 0.000 0.930 888 V CB 2.134 33.903 31.823 -0.091 0.000 1.014 888 V HN 0.271 nan 8.190 nan 0.000 0.425 889 L N 6.999 128.128 121.223 -0.157 0.000 2.270 889 L HA 0.588 4.927 4.340 -0.001 0.000 0.286 889 L C -0.334 176.513 176.870 -0.039 0.000 1.059 889 L CA 0.158 54.936 54.840 -0.103 0.000 0.839 889 L CB 0.284 42.306 42.059 -0.061 0.000 1.221 889 L HN 0.699 nan 8.230 nan 0.000 0.431 890 H N 5.660 124.742 119.070 0.020 0.000 2.582 890 H HA 0.478 5.034 4.556 -0.001 0.000 0.345 890 H C -0.097 175.120 175.328 -0.186 0.000 1.104 890 H CA -0.218 55.781 56.048 -0.081 0.000 1.390 890 H CB 1.236 31.018 29.762 0.034 0.000 1.461 890 H HN 0.688 nan 8.280 nan 0.000 0.551 891 I N 0.192 120.584 120.570 -0.295 0.000 2.689 891 I HA 0.597 4.767 4.170 -0.001 0.000 0.299 891 I C -1.415 174.351 176.117 -0.584 0.000 1.059 891 I CA -0.940 60.202 61.300 -0.263 0.000 1.055 891 I CB 2.066 40.005 38.000 -0.102 0.000 1.243 891 I HN 0.244 nan 8.210 nan 0.000 0.425 892 Y N 2.787 123.130 120.300 0.073 0.000 2.625 892 Y HA 0.692 5.241 4.550 -0.001 0.000 0.338 892 Y C -0.570 175.378 175.900 0.080 0.000 1.123 892 Y CA -1.080 57.070 58.100 0.083 0.000 1.046 892 Y CB 1.691 40.221 38.460 0.117 0.000 1.299 892 Y HN 0.422 nan 8.280 nan 0.000 0.464 893 R N 1.429 122.086 120.500 0.261 0.000 2.740 893 R HA 0.621 4.961 4.340 -0.001 0.000 0.282 893 R C -1.910 174.500 176.300 0.183 0.000 0.969 893 R CA -1.166 55.043 56.100 0.181 0.000 0.918 893 R CB 2.582 32.947 30.300 0.109 0.000 1.175 893 R HN 0.640 nan 8.270 nan 0.000 0.464 894 L N 2.177 123.489 121.223 0.147 0.000 2.343 894 L HA 0.436 4.775 4.340 -0.001 0.000 0.278 894 L C -1.238 175.663 176.870 0.051 0.000 0.996 894 L CA -0.574 54.330 54.840 0.107 0.000 0.831 894 L CB 1.878 44.015 42.059 0.129 0.000 1.232 894 L HN 0.315 nan 8.230 nan 0.000 0.413 895 V N 6.215 126.143 119.914 0.023 0.000 2.326 895 V HA 0.394 4.514 4.120 -0.001 0.000 0.281 895 V C -0.333 175.738 176.094 -0.038 0.000 1.015 895 V CA -0.580 61.714 62.300 -0.011 0.000 0.823 895 V CB 1.356 33.165 31.823 -0.024 0.000 1.009 895 V HN 0.635 nan 8.190 nan 0.000 0.436 896 L N 5.460 126.657 121.223 -0.044 0.000 2.275 896 L HA 0.671 5.010 4.340 -0.001 0.000 0.288 896 L C -0.107 176.726 176.870 -0.062 0.000 1.046 896 L CA 0.690 55.496 54.840 -0.057 0.000 0.805 896 L CB 0.972 42.995 42.059 -0.060 0.000 1.193 896 L HN 0.730 nan 8.230 nan 0.000 0.426 897 E N 3.548 123.704 120.200 -0.072 0.000 2.383 897 E HA 0.429 4.778 4.350 -0.001 0.000 0.275 897 E C -1.258 175.299 176.600 -0.073 0.000 0.918 897 E CA -1.207 55.145 56.400 -0.079 0.000 0.764 897 E CB 1.529 31.165 29.700 -0.107 0.000 1.252 897 E HN 0.239 nan 8.360 nan 0.000 0.449 898 K N 1.379 121.740 120.400 -0.066 0.000 2.234 898 K HA 0.201 4.520 4.320 -0.001 0.000 0.282 898 K C 0.386 176.944 176.600 -0.070 0.000 1.039 898 K CA -0.208 56.044 56.287 -0.058 0.000 0.928 898 K CB 1.195 33.666 32.500 -0.048 0.000 1.039 898 K HN 0.480 nan 8.250 nan 0.000 0.470 899 V N -0.461 119.413 119.914 -0.067 0.000 3.330 899 V HA 0.035 4.154 4.120 -0.001 0.000 0.309 899 V C 1.150 177.209 176.094 -0.058 0.000 1.481 899 V CA -0.283 61.969 62.300 -0.080 0.000 1.068 899 V CB -0.252 31.507 31.823 -0.107 0.000 0.935 899 V HN 0.618 nan 8.190 nan 0.000 0.453 900 N N 1.548 120.222 118.700 -0.043 0.000 2.364 900 N HA -0.178 4.561 4.740 -0.001 0.000 0.183 900 N C 0.999 176.489 175.510 -0.034 0.000 1.022 900 N CA 1.643 54.675 53.050 -0.031 0.000 0.883 900 N CB -0.516 37.957 38.487 -0.023 0.000 0.965 900 N HN 0.547 nan 8.380 nan 0.000 0.438 901 N N 0.063 118.738 118.700 -0.042 0.000 2.336 901 N HA 0.066 4.805 4.740 -0.001 0.000 0.189 901 N C -0.229 175.250 175.510 -0.052 0.000 1.113 901 N CA -0.083 52.942 53.050 -0.043 0.000 0.858 901 N CB 0.055 38.517 38.487 -0.042 0.000 0.970 901 N HN 0.218 nan 8.380 nan 0.000 0.471 902 c N 1.227 119.790 118.600 -0.062 0.000 2.601 902 c HA 0.266 4.835 4.570 -0.001 0.000 0.409 902 c C 1.047 175.098 174.090 -0.065 0.000 1.293 902 c CA -0.923 55.361 56.329 -0.075 0.000 2.101 902 c CB 0.896 43.347 42.510 -0.098 0.000 2.639 902 c HN 0.020 nan 8.230 nan 0.000 0.592 903 V N 5.466 125.337 119.914 -0.071 0.000 2.370 903 V HA 0.212 4.332 4.120 -0.001 0.000 0.257 903 V C 0.628 176.681 176.094 -0.067 0.000 1.064 903 V CA 0.365 62.627 62.300 -0.063 0.000 0.975 903 V CB -0.686 31.095 31.823 -0.070 0.000 1.067 903 V HN 0.785 nan 8.190 nan 0.000 0.485 904 R N 4.610 125.083 120.500 -0.045 0.000 2.758 904 R HA 0.549 4.888 4.340 -0.001 0.000 0.265 904 R C -2.453 173.839 176.300 -0.014 0.000 1.016 904 R CA -1.863 54.218 56.100 -0.032 0.000 1.040 904 R CB 1.158 31.443 30.300 -0.024 0.000 1.152 904 R HN 0.397 nan 8.270 nan 0.000 0.503 905 P HA -0.031 nan 4.420 nan 0.000 0.270 905 P C -0.384 176.956 177.300 0.067 0.000 1.223 905 P CA -0.238 62.849 63.100 -0.021 0.000 0.785 905 P CB 0.584 32.190 31.700 -0.156 0.000 0.923 906 S N 0.967 116.735 115.700 0.114 0.000 2.587 906 S HA 0.062 4.532 4.470 -0.001 0.000 0.260 906 S C 1.065 175.747 174.600 0.137 0.000 1.353 906 S CA -0.113 58.155 58.200 0.114 0.000 0.995 906 S CB 0.280 63.549 63.200 0.115 0.000 0.912 906 S HN 0.308 nan 8.310 nan 0.000 0.568 907 K N 0.392 120.854 120.400 0.103 0.000 2.280 907 K HA 0.035 4.354 4.320 -0.001 0.000 0.202 907 K C 1.494 178.152 176.600 0.096 0.000 1.047 907 K CA 1.225 57.570 56.287 0.097 0.000 0.942 907 K CB -0.526 32.015 32.500 0.068 0.000 0.739 907 K HN 0.550 nan 8.250 nan 0.000 0.457 908 L N -0.105 121.177 121.223 0.098 0.000 2.558 908 L HA 0.023 4.363 4.340 -0.001 0.000 0.225 908 L C 1.029 177.952 176.870 0.087 0.000 1.128 908 L CA -0.179 54.703 54.840 0.070 0.000 0.868 908 L CB -0.205 41.881 42.059 0.044 0.000 1.006 908 L HN 0.252 nan 8.230 nan 0.000 0.454 909 H N 2.388 121.498 119.070 0.065 0.000 2.803 909 H HA 0.087 4.643 4.556 -0.001 0.000 0.330 909 H C -1.738 173.633 175.328 0.072 0.000 1.057 909 H CA -1.453 54.647 56.048 0.087 0.000 1.458 909 H CB 1.752 31.593 29.762 0.131 0.000 1.470 909 H HN -0.087 nan 8.280 nan 0.000 0.560 910 P HA 0.135 nan 4.420 nan 0.000 0.245 910 P C -0.479 176.929 177.300 0.180 0.000 1.212 910 P CA 0.193 63.335 63.100 0.069 0.000 0.774 910 P CB 0.467 32.135 31.700 -0.054 0.000 0.999 911 A N -0.336 122.756 122.820 0.454 0.000 2.330 911 A HA 0.753 5.073 4.320 -0.001 0.000 0.329 911 A C 0.285 177.927 177.584 0.096 0.000 1.135 911 A CA -0.352 51.818 52.037 0.222 0.000 0.817 911 A CB 1.128 20.249 19.000 0.201 0.000 1.269 911 A HN 0.161 nan 8.150 nan 0.000 0.469 912 G N -1.219 107.529 108.800 -0.087 0.000 2.658 912 G HA2 0.642 4.602 3.960 -0.001 0.000 0.292 912 G HA3 0.642 4.602 3.960 -0.001 0.000 0.292 912 G C -1.814 172.718 174.900 -0.612 0.000 1.320 912 G CA -0.434 44.509 45.100 -0.262 0.000 0.933 912 G HN 0.532 nan 8.290 nan 0.000 0.476 913 Y N -0.904 119.354 120.300 -0.070 0.000 2.492 913 Y HA 0.475 5.024 4.550 -0.001 0.000 0.346 913 Y C 0.336 175.989 175.900 -0.412 0.000 0.997 913 Y CA -0.849 57.139 58.100 -0.186 0.000 1.025 913 Y CB 1.995 40.339 38.460 -0.193 0.000 1.263 913 Y HN 0.341 nan 8.280 nan 0.000 0.454 914 L N 2.287 123.343 121.223 -0.279 0.000 2.464 914 L HA 0.338 4.678 4.340 -0.001 0.000 0.264 914 L C 0.766 177.477 176.870 -0.265 0.000 1.199 914 L CA -0.494 54.103 54.840 -0.405 0.000 0.818 914 L CB 0.744 42.642 42.059 -0.267 0.000 1.102 914 L HN 0.799 nan 8.230 nan 0.000 0.473 915 T N -2.280 112.107 114.554 -0.279 0.000 2.816 915 T HA 0.037 4.387 4.350 -0.001 0.000 0.282 915 T C 1.191 175.835 174.700 -0.093 0.000 0.993 915 T CA -0.142 61.850 62.100 -0.181 0.000 0.994 915 T CB 1.443 70.202 68.868 -0.181 0.000 1.025 915 T HN 0.631 nan 8.240 nan 0.000 0.529 916 S N 0.703 116.361 115.700 -0.070 0.000 2.365 916 S HA -0.179 4.290 4.470 -0.001 0.000 0.225 916 S C 2.328 176.935 174.600 0.012 0.000 1.039 916 S CA 1.601 59.793 58.200 -0.013 0.000 1.033 916 S CB -1.246 61.930 63.200 -0.041 0.000 0.887 916 S HN 0.938 nan 8.310 nan 0.000 0.447 917 A N 1.040 123.843 122.820 -0.029 0.000 1.930 917 A HA 0.282 4.601 4.320 -0.001 0.000 0.217 917 A C 2.454 180.030 177.584 -0.013 0.000 1.175 917 A CA 1.771 53.794 52.037 -0.023 0.000 0.627 917 A CB -1.264 17.713 19.000 -0.038 0.000 0.815 917 A HN 0.801 nan 8.150 nan 0.000 0.443 918 A N -0.986 121.815 122.820 -0.033 0.000 1.929 918 A HA -0.095 4.225 4.320 -0.001 0.000 0.216 918 A C 2.003 179.615 177.584 0.046 0.000 1.176 918 A CA 1.937 53.960 52.037 -0.023 0.000 0.628 918 A CB -0.796 18.137 19.000 -0.111 0.000 0.816 918 A HN 0.747 nan 8.150 nan 0.000 0.444 919 H N 0.185 119.238 119.070 -0.027 0.000 2.321 919 H HA -0.031 4.524 4.556 -0.001 0.000 0.300 919 H C 1.908 177.268 175.328 0.054 0.000 1.087 919 H CA 2.176 58.243 56.048 0.033 0.000 1.319 919 H CB -0.105 29.670 29.762 0.022 0.000 1.379 919 H HN 0.401 nan 8.280 nan 0.000 0.501 920 K N -0.175 120.180 120.400 -0.076 0.000 2.097 920 K HA -0.096 4.223 4.320 -0.001 0.000 0.206 920 K C 2.363 178.921 176.600 -0.069 0.000 1.049 920 K CA 0.941 57.165 56.287 -0.105 0.000 0.933 920 K CB -0.151 32.334 32.500 -0.025 0.000 0.717 920 K HN 0.390 nan 8.250 nan 0.000 0.442 921 A N 0.873 123.677 122.820 -0.027 0.000 1.933 921 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 921 A C 2.223 179.805 177.584 -0.002 0.000 1.175 921 A CA 1.968 54.004 52.037 -0.002 0.000 0.628 921 A CB -0.603 18.412 19.000 0.024 0.000 0.814 921 A HN 0.275 nan 8.150 nan 0.000 0.444 922 S N -0.654 115.048 115.700 0.003 0.000 2.368 922 S HA -0.232 4.238 4.470 -0.001 0.000 0.225 922 S C 2.143 176.724 174.600 -0.032 0.000 1.030 922 S CA 1.699 59.915 58.200 0.028 0.000 0.999 922 S CB -0.405 62.861 63.200 0.108 0.000 0.844 922 S HN 0.677 nan 8.310 nan 0.000 0.459 923 Q N 0.301 120.035 119.800 -0.109 0.000 2.170 923 Q HA -0.047 4.293 4.340 -0.001 0.000 0.203 923 Q C 2.378 178.324 176.000 -0.089 0.000 0.976 923 Q CA 1.638 57.378 55.803 -0.104 0.000 0.858 923 Q CB -0.246 28.411 28.738 -0.135 0.000 0.907 923 Q HN 0.498 nan 8.270 nan 0.000 0.433 924 S N 0.661 116.319 115.700 -0.070 0.000 2.423 924 S HA -0.031 4.438 4.470 -0.001 0.000 0.231 924 S C 1.853 176.393 174.600 -0.099 0.000 1.014 924 S CA 0.707 58.864 58.200 -0.073 0.000 0.965 924 S CB 0.007 63.183 63.200 -0.040 0.000 0.785 924 S HN 0.276 nan 8.310 nan 0.000 0.495 925 L N 0.338 121.511 121.223 -0.082 0.000 2.127 925 L HA 0.101 4.440 4.340 -0.001 0.000 0.203 925 L C 1.996 178.775 176.870 -0.151 0.000 1.080 925 L CA 0.905 55.687 54.840 -0.097 0.000 0.768 925 L CB -0.329 41.696 42.059 -0.057 0.000 0.924 925 L HN 0.271 nan 8.230 nan 0.000 0.444 926 L N -1.276 119.862 121.223 -0.142 0.000 2.249 926 L HA 0.040 4.380 4.340 -0.001 0.000 0.207 926 L C 0.190 176.889 176.870 -0.285 0.000 1.090 926 L CA 0.713 55.444 54.840 -0.181 0.000 0.802 926 L CB 0.133 42.121 42.059 -0.118 0.000 0.947 926 L HN 0.193 nan 8.230 nan 0.000 0.453 927 D N 0.472 120.702 120.400 -0.283 0.000 2.613 927 D HA 0.230 4.869 4.640 -0.001 0.000 0.312 927 D C -2.357 173.704 176.300 -0.399 0.000 1.202 927 D CA -0.996 52.775 54.000 -0.382 0.000 0.825 927 D CB 1.275 42.044 40.800 -0.052 0.000 1.113 927 D HN 0.058 nan 8.370 nan 0.000 0.502 928 P HA 0.113 nan 4.420 nan 0.000 0.273 928 P C 0.585 177.748 177.300 -0.229 0.000 1.250 928 P CA -0.487 62.426 63.100 -0.311 0.000 0.793 928 P CB 1.502 33.022 31.700 -0.301 0.000 1.011 929 L N 0.944 122.103 121.223 -0.107 0.000 2.514 929 L HA 0.066 4.406 4.340 -0.001 0.000 0.280 929 L C 0.908 177.797 176.870 0.032 0.000 1.223 929 L CA 0.461 55.296 54.840 -0.009 0.000 0.864 929 L CB -0.353 41.713 42.059 0.012 0.000 1.118 929 L HN 0.275 nan 8.230 nan 0.000 0.494 930 D N 3.517 124.028 120.400 0.186 0.000 2.210 930 D HA 0.311 4.951 4.640 -0.001 0.000 0.249 930 D C -0.299 176.065 176.300 0.108 0.000 1.062 930 D CA -0.264 53.836 54.000 0.167 0.000 0.891 930 D CB 1.637 42.638 40.800 0.335 0.000 1.186 930 D HN 0.376 nan 8.370 nan 0.000 0.432 931 K N 1.470 121.813 120.400 -0.094 0.000 2.345 931 K HA 0.460 4.779 4.320 -0.001 0.000 0.255 931 K C -0.999 175.558 176.600 -0.073 0.000 0.934 931 K CA -0.645 55.691 56.287 0.080 0.000 0.801 931 K CB 1.546 34.034 32.500 -0.019 0.000 1.137 931 K HN 0.228 nan 8.250 nan 0.000 0.424 932 F N 2.639 122.797 119.950 0.346 0.000 2.520 932 F HA 0.499 5.025 4.527 -0.001 0.000 0.322 932 F C 0.018 176.112 175.800 0.489 0.000 1.103 932 F CA -0.890 57.299 58.000 0.315 0.000 0.926 932 F CB 1.297 40.308 39.000 0.018 0.000 1.154 932 F HN 0.196 nan 8.300 nan 0.000 0.453 933 I N 3.520 124.483 120.570 0.655 0.000 2.362 933 I HA 0.220 4.389 4.170 -0.001 0.000 0.289 933 I C -0.584 175.832 176.117 0.498 0.000 0.994 933 I CA -0.830 60.780 61.300 0.516 0.000 1.158 933 I CB 1.261 39.462 38.000 0.335 0.000 1.315 933 I HN 0.437 nan 8.210 nan 0.000 0.451 934 F N 5.720 125.847 119.950 0.294 0.000 2.578 934 F HA 0.191 4.717 4.527 -0.001 0.000 0.376 934 F C 1.227 176.954 175.800 -0.122 0.000 1.085 934 F CA 0.167 58.041 58.000 -0.209 0.000 1.260 934 F CB 1.189 40.085 39.000 -0.173 0.000 1.095 934 F HN 0.611 nan 8.300 nan 0.000 0.573 935 A N 4.346 126.624 122.820 -0.905 0.000 1.898 935 A HA 0.039 4.358 4.320 -0.001 0.000 0.214 935 A C 1.018 178.363 177.584 -0.398 0.000 1.183 935 A CA 0.728 52.447 52.037 -0.529 0.000 0.622 935 A CB -0.317 18.334 19.000 -0.581 0.000 0.824 935 A HN 0.681 nan 8.150 nan 0.000 0.444 936 E N -0.412 119.414 120.200 -0.624 0.000 2.267 936 E HA 0.192 4.541 4.350 -0.001 0.000 0.258 936 E C 0.164 176.890 176.600 0.209 0.000 1.074 936 E CA -0.696 55.629 56.400 -0.125 0.000 0.915 936 E CB 0.217 29.882 29.700 -0.059 0.000 1.186 936 E HN 0.206 nan 8.360 nan 0.000 0.439 937 N N 0.659 119.479 118.700 0.201 0.000 2.188 937 N HA -0.117 4.622 4.740 -0.001 0.000 0.184 937 N C 0.063 175.727 175.510 0.257 0.000 1.018 937 N CA 0.997 54.172 53.050 0.208 0.000 0.858 937 N CB 0.279 38.844 38.487 0.130 0.000 0.989 937 N HN 0.458 nan 8.380 nan 0.000 0.426 938 E N -0.829 119.550 120.200 0.297 0.000 2.275 938 E HA 0.110 4.460 4.350 -0.001 0.000 0.270 938 E C -1.550 175.168 176.600 0.197 0.000 0.882 938 E CA -0.704 55.802 56.400 0.176 0.000 0.758 938 E CB 1.155 30.920 29.700 0.109 0.000 1.195 938 E HN 0.005 nan 8.360 nan 0.000 0.419 939 W N 7.993 129.007 121.300 -0.477 0.000 2.295 939 W HA 0.400 5.059 4.660 -0.001 0.000 0.333 939 W C -1.245 175.086 176.519 -0.314 0.000 0.990 939 W CA -1.430 55.492 57.345 -0.706 0.000 1.453 939 W CB -0.089 28.452 29.460 -1.531 0.000 1.263 939 W HN 0.463 nan 8.180 nan 0.000 0.380 940 I N 6.120 126.804 120.570 0.191 0.000 2.471 940 I HA 0.222 4.391 4.170 -0.001 0.000 0.286 940 I C 1.471 177.577 176.117 -0.019 0.000 1.079 940 I CA 1.034 62.362 61.300 0.046 0.000 1.398 940 I CB 0.461 38.515 38.000 0.090 0.000 1.403 940 I HN 0.778 nan 8.210 nan 0.000 0.530 941 G N 4.375 113.074 108.800 -0.169 0.000 2.141 941 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.242 941 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.242 941 G C 0.397 175.041 174.900 -0.428 0.000 0.982 941 G CA -0.094 44.884 45.100 -0.204 0.000 0.662 941 G HN 0.982 nan 8.290 nan 0.000 0.527 942 A N -0.264 122.047 122.820 -0.847 0.000 2.511 942 A HA 0.567 4.886 4.320 -0.001 0.000 0.242 942 A C 0.592 177.742 177.584 -0.723 0.000 1.069 942 A CA 0.774 51.943 52.037 -1.447 0.000 0.763 942 A CB 0.242 18.080 19.000 -1.937 0.000 1.001 942 A HN 0.627 nan 8.150 nan 0.000 0.498 943 Q N 0.877 120.326 119.800 -0.584 0.000 2.297 943 Q HA 0.529 4.868 4.340 -0.001 0.000 0.268 943 Q C 1.105 176.980 176.000 -0.208 0.000 1.045 943 Q CA -0.216 55.413 55.803 -0.289 0.000 0.861 943 Q CB 1.829 30.466 28.738 -0.167 0.000 1.344 943 Q HN 0.788 nan 8.270 nan 0.000 0.452 944 G N 0.001 108.722 108.800 -0.132 0.000 2.603 944 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.214 944 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.214 944 G C 0.175 175.047 174.900 -0.046 0.000 1.140 944 G CA 0.519 45.557 45.100 -0.103 0.000 0.800 944 G HN 0.440 nan 8.290 nan 0.000 0.533 945 Q N -1.391 118.399 119.800 -0.016 0.000 2.527 945 Q HA 0.514 4.854 4.340 -0.001 0.000 0.280 945 Q C -2.380 173.646 176.000 0.044 0.000 0.977 945 Q CA -0.914 54.897 55.803 0.014 0.000 0.837 945 Q CB 2.180 30.911 28.738 -0.011 0.000 1.454 945 Q HN 0.054 nan 8.270 nan 0.000 0.387 946 F N 1.155 121.018 119.950 -0.144 0.000 2.569 946 F HA 0.652 5.178 4.527 -0.001 0.000 0.312 946 F C 0.496 176.055 175.800 -0.402 0.000 1.109 946 F CA 0.459 58.307 58.000 -0.252 0.000 0.919 946 F CB 2.089 40.950 39.000 -0.232 0.000 1.211 946 F HN 0.671 nan 8.300 nan 0.000 0.446 947 G N 2.980 110.806 108.800 -1.624 0.000 2.157 947 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.239 947 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.239 947 G C 1.029 175.258 174.900 -1.119 0.000 0.982 947 G CA 0.257 44.105 45.100 -2.087 0.000 0.650 947 G HN 1.582 nan 8.290 nan 0.000 0.527 948 G N 1.197 109.637 108.800 -0.600 0.000 2.479 948 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.220 948 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.220 948 G C 1.263 176.103 174.900 -0.099 0.000 1.115 948 G CA 1.801 46.778 45.100 -0.205 0.000 0.757 948 G HN 0.832 nan 8.290 nan 0.000 0.560 949 D N -0.676 119.582 120.400 -0.235 0.000 2.339 949 D HA 0.004 4.643 4.640 -0.001 0.000 0.217 949 D C 0.399 176.698 176.300 -0.003 0.000 1.050 949 D CA -0.405 53.545 54.000 -0.082 0.000 0.856 949 D CB -0.876 39.883 40.800 -0.070 0.000 0.922 949 D HN 0.466 nan 8.370 nan 0.000 0.518 950 H N 1.151 120.119 119.070 -0.169 0.000 2.848 950 H HA 0.218 4.773 4.556 -0.001 0.000 0.341 950 H C -1.968 173.333 175.328 -0.046 0.000 1.060 950 H CA -1.735 54.236 56.048 -0.129 0.000 1.444 950 H CB 0.573 30.207 29.762 -0.214 0.000 1.446 950 H HN 0.010 nan 8.280 nan 0.000 0.583 951 P HA -0.056 nan 4.420 nan 0.000 0.268 951 P C -0.569 176.801 177.300 0.117 0.000 1.205 951 P CA 0.065 63.230 63.100 0.108 0.000 0.771 951 P CB 0.742 32.483 31.700 0.069 0.000 0.858 952 S N 2.255 118.061 115.700 0.176 0.000 2.464 952 S HA 0.563 5.033 4.470 -0.001 0.000 0.313 952 S C 0.054 174.768 174.600 0.190 0.000 1.078 952 S CA -0.587 57.746 58.200 0.223 0.000 1.096 952 S CB -0.725 62.727 63.200 0.420 0.000 1.032 952 S HN 0.497 nan 8.310 nan 0.000 0.498 953 A N 4.757 127.678 122.820 0.169 0.000 2.332 953 A HA 0.505 4.824 4.320 -0.001 0.000 0.258 953 A C 0.505 178.163 177.584 0.123 0.000 1.087 953 A CA -0.715 51.400 52.037 0.131 0.000 0.802 953 A CB 0.158 19.232 19.000 0.123 0.000 1.042 953 A HN 0.970 nan 8.150 nan 0.000 0.489 954 R N 0.735 121.277 120.500 0.069 0.000 2.619 954 R HA -0.031 4.308 4.340 -0.001 0.000 0.268 954 R C 0.667 176.985 176.300 0.029 0.000 0.990 954 R CA 0.791 56.906 56.100 0.025 0.000 1.092 954 R CB 0.088 30.389 30.300 0.001 0.000 0.935 954 R HN 0.881 nan 8.270 nan 0.000 0.415 955 E N 1.543 121.723 120.200 -0.034 0.000 2.265 955 E HA -0.241 4.108 4.350 -0.001 0.000 0.196 955 E C 0.261 176.901 176.600 0.067 0.000 0.996 955 E CA 1.463 57.828 56.400 -0.058 0.000 0.832 955 E CB -0.124 29.516 29.700 -0.101 0.000 0.756 955 E HN 0.852 nan 8.360 nan 0.000 0.491 956 D N 0.699 121.098 120.400 -0.001 0.000 2.340 956 D HA -0.006 4.633 4.640 -0.001 0.000 0.220 956 D C 0.405 176.706 176.300 0.001 0.000 1.039 956 D CA -0.105 53.854 54.000 -0.068 0.000 0.866 956 D CB -0.044 40.655 40.800 -0.168 0.000 0.913 956 D HN 0.179 nan 8.370 nan 0.000 0.523 957 L N 0.789 122.059 121.223 0.080 0.000 2.309 957 L HA 0.514 4.853 4.340 -0.001 0.000 0.282 957 L C -1.109 175.886 176.870 0.208 0.000 1.036 957 L CA -0.450 54.453 54.840 0.105 0.000 0.806 957 L CB 1.648 43.757 42.059 0.083 0.000 1.220 957 L HN -0.225 nan 8.230 nan 0.000 0.429 958 D N 2.452 122.995 120.400 0.238 0.000 2.575 958 D HA 0.368 5.007 4.640 -0.001 0.000 0.236 958 D C -1.286 175.172 176.300 0.263 0.000 1.075 958 D CA -0.267 53.896 54.000 0.272 0.000 0.860 958 D CB 2.433 43.441 40.800 0.345 0.000 1.475 958 D HN 0.244 nan 8.370 nan 0.000 0.474 959 V N 3.419 123.466 119.914 0.222 0.000 2.258 959 V HA 0.121 4.241 4.120 -0.001 0.000 0.258 959 V C 1.282 177.512 176.094 0.226 0.000 1.121 959 V CA -0.009 62.434 62.300 0.238 0.000 0.942 959 V CB 0.428 32.377 31.823 0.211 0.000 1.170 959 V HN 0.577 nan 8.190 nan 0.000 0.487 960 S N 3.009 118.872 115.700 0.273 0.000 2.383 960 S HA -0.004 4.465 4.470 -0.001 0.000 0.227 960 S C 0.665 175.324 174.600 0.098 0.000 1.026 960 S CA 0.822 59.138 58.200 0.193 0.000 0.981 960 S CB 0.187 63.565 63.200 0.297 0.000 0.818 960 S HN 0.491 nan 8.310 nan 0.000 0.472 961 V N 1.543 121.556 119.914 0.165 0.000 2.760 961 V HA 0.527 4.646 4.120 -0.001 0.000 0.309 961 V C -0.773 175.401 176.094 0.133 0.000 1.077 961 V CA -0.556 61.818 62.300 0.124 0.000 0.910 961 V CB 1.896 33.820 31.823 0.168 0.000 1.008 961 V HN 0.364 nan 8.190 nan 0.000 0.424 962 M N 5.608 125.209 119.600 0.002 0.000 2.204 962 M HA 0.676 5.155 4.480 -0.001 0.000 0.293 962 M C -1.065 175.076 176.300 -0.265 0.000 0.994 962 M CA -0.492 54.683 55.300 -0.209 0.000 0.925 962 M CB 1.441 33.927 32.600 -0.190 0.000 1.577 962 M HN 0.737 nan 8.290 nan 0.000 0.439 963 R N 4.027 124.298 120.500 -0.382 0.000 2.515 963 R HA 0.423 4.762 4.340 -0.001 0.000 0.291 963 R C -1.331 174.744 176.300 -0.375 0.000 1.046 963 R CA -0.688 55.238 56.100 -0.290 0.000 0.914 963 R CB 1.814 32.020 30.300 -0.155 0.000 1.191 963 R HN 0.896 nan 8.270 nan 0.000 0.435 964 R N 4.474 124.810 120.500 -0.273 0.000 2.442 964 R HA 0.108 4.447 4.340 -0.001 0.000 0.291 964 R C 0.249 176.442 176.300 -0.180 0.000 1.069 964 R CA 0.139 56.106 56.100 -0.221 0.000 1.022 964 R CB 0.583 30.810 30.300 -0.121 0.000 0.976 964 R HN 0.700 nan 8.270 nan 0.000 0.443 965 L N 3.025 124.134 121.223 -0.190 0.000 2.554 965 L HA 0.134 4.473 4.340 -0.001 0.000 0.225 965 L C 0.355 177.175 176.870 -0.084 0.000 1.104 965 L CA 0.088 54.836 54.840 -0.153 0.000 0.866 965 L CB 0.355 42.289 42.059 -0.208 0.000 1.047 965 L HN 0.708 nan 8.230 nan 0.000 0.468 966 T N -2.546 111.969 114.554 -0.064 0.000 2.885 966 T HA 0.454 4.803 4.350 -0.001 0.000 0.285 966 T C -0.242 174.451 174.700 -0.010 0.000 1.019 966 T CA -0.935 61.146 62.100 -0.032 0.000 1.010 966 T CB 2.380 71.235 68.868 -0.023 0.000 1.022 966 T HN -0.078 nan 8.240 nan 0.000 0.466 967 K N 0.924 121.324 120.400 -0.000 0.000 2.117 967 K HA 0.338 4.658 4.320 -0.001 0.000 0.240 967 K C 1.653 178.268 176.600 0.025 0.000 1.031 967 K CA -0.311 55.987 56.287 0.018 0.000 0.909 967 K CB 0.542 33.051 32.500 0.015 0.000 1.097 967 K HN 0.789 nan 8.250 nan 0.000 0.492 968 S N -0.547 115.177 115.700 0.039 0.000 2.419 968 S HA -0.157 4.312 4.470 -0.001 0.000 0.233 968 S C 1.804 176.420 174.600 0.026 0.000 1.016 968 S CA 1.506 59.729 58.200 0.038 0.000 0.974 968 S CB -0.398 62.832 63.200 0.049 0.000 0.786 968 S HN 0.638 nan 8.310 nan 0.000 0.492 969 S N 1.566 117.279 115.700 0.022 0.000 2.522 969 S HA 0.432 4.901 4.470 -0.001 0.000 0.227 969 S C 0.813 175.421 174.600 0.012 0.000 0.986 969 S CA 0.051 58.261 58.200 0.018 0.000 0.929 969 S CB -0.635 62.575 63.200 0.016 0.000 0.769 969 S HN 0.777 nan 8.310 nan 0.000 0.529 970 A N 1.944 124.769 122.820 0.009 0.000 2.451 970 A HA 0.342 4.662 4.320 -0.001 0.000 0.266 970 A C 1.269 178.859 177.584 0.010 0.000 1.119 970 A CA -0.365 51.675 52.037 0.005 0.000 0.786 970 A CB 0.141 19.141 19.000 -0.000 0.000 1.061 970 A HN 0.462 nan 8.150 nan 0.000 0.503 971 K N 1.754 122.158 120.400 0.008 0.000 2.044 971 K HA -0.112 4.207 4.320 -0.001 0.000 0.210 971 K C 0.125 176.735 176.600 0.016 0.000 1.049 971 K CA 1.760 58.054 56.287 0.011 0.000 0.927 971 K CB -0.073 32.431 32.500 0.007 0.000 0.713 971 K HN 0.678 nan 8.250 nan 0.000 0.443 972 T N 2.507 117.068 114.554 0.011 0.000 2.781 972 T HA 0.169 4.519 4.350 -0.001 0.000 0.305 972 T C -0.729 173.986 174.700 0.024 0.000 1.001 972 T CA -0.603 61.507 62.100 0.016 0.000 0.950 972 T CB 1.365 70.231 68.868 -0.002 0.000 0.955 972 T HN 0.087 nan 8.240 nan 0.000 0.471 973 Q N 2.789 122.623 119.800 0.056 0.000 2.340 973 Q HA 0.399 4.738 4.340 -0.001 0.000 0.249 973 Q C 0.097 176.153 176.000 0.092 0.000 0.957 973 Q CA 0.078 55.917 55.803 0.060 0.000 0.882 973 Q CB 1.292 30.066 28.738 0.059 0.000 1.235 973 Q HN 0.553 nan 8.270 nan 0.000 0.439 974 R N 0.335 120.854 120.500 0.032 0.000 2.628 974 R HA 0.641 4.980 4.340 -0.001 0.000 0.288 974 R C -1.094 175.159 176.300 -0.077 0.000 0.980 974 R CA -0.647 55.459 56.100 0.009 0.000 0.891 974 R CB 1.856 32.125 30.300 -0.051 0.000 1.188 974 R HN 0.255 nan 8.270 nan 0.000 0.450 975 V N 1.484 121.349 119.914 -0.082 0.000 2.588 975 V HA 0.625 4.744 4.120 -0.001 0.000 0.304 975 V C 0.214 176.022 176.094 -0.476 0.000 1.042 975 V CA -0.831 61.282 62.300 -0.311 0.000 0.877 975 V CB 2.029 33.670 31.823 -0.304 0.000 0.996 975 V HN 0.942 nan 8.190 nan 0.000 0.425 976 G N 2.889 111.212 108.800 -0.795 0.000 2.371 976 G HA2 0.670 4.630 3.960 -0.001 0.000 0.326 976 G HA3 0.670 4.630 3.960 -0.001 0.000 0.326 976 G C -1.675 172.794 174.900 -0.717 0.000 1.127 976 G CA -0.316 44.175 45.100 -1.016 0.000 0.885 976 G HN 0.508 nan 8.290 nan 0.000 0.477 977 Y N 0.346 120.734 120.300 0.148 0.000 2.442 977 Y HA 0.474 5.023 4.550 -0.001 0.000 0.344 977 Y C -0.131 176.039 175.900 0.449 0.000 0.976 977 Y CA -0.913 57.362 58.100 0.291 0.000 1.040 977 Y CB 2.747 41.347 38.460 0.233 0.000 1.228 977 Y HN 0.345 nan 8.280 nan 0.000 0.451 978 V N 5.045 125.257 119.914 0.496 0.000 2.384 978 V HA 0.401 4.521 4.120 -0.001 0.000 0.287 978 V C -0.759 175.562 176.094 0.379 0.000 1.020 978 V CA -0.650 61.866 62.300 0.360 0.000 0.850 978 V CB 1.343 33.330 31.823 0.274 0.000 0.987 978 V HN 0.480 nan 8.190 nan 0.000 0.436 979 L N 4.665 126.097 121.223 0.348 0.000 2.313 979 L HA 0.567 4.906 4.340 -0.001 0.000 0.283 979 L C -0.487 176.579 176.870 0.327 0.000 1.013 979 L CA -0.261 54.779 54.840 0.333 0.000 0.816 979 L CB 1.364 43.613 42.059 0.317 0.000 1.236 979 L HN 0.727 nan 8.230 nan 0.000 0.419 980 H N 3.233 122.456 119.070 0.256 0.000 2.547 980 H HA 0.594 5.150 4.556 -0.001 0.000 0.342 980 H C -0.935 174.479 175.328 0.143 0.000 1.048 980 H CA -0.684 55.482 56.048 0.197 0.000 1.204 980 H CB 1.167 31.113 29.762 0.306 0.000 1.493 980 H HN 0.518 nan 8.280 nan 0.000 0.511 981 R N 4.204 124.332 120.500 -0.619 0.000 2.343 981 R HA 0.315 4.655 4.340 -0.001 0.000 0.320 981 R C -0.351 175.516 176.300 -0.721 0.000 0.956 981 R CA -0.485 55.340 56.100 -0.460 0.000 0.836 981 R CB 1.166 31.328 30.300 -0.230 0.000 1.151 981 R HN 0.747 nan 8.270 nan 0.000 0.450 982 T N 1.651 115.933 114.554 -0.454 0.000 2.771 982 T HA 0.170 4.519 4.350 -0.001 0.000 0.290 982 T C -0.486 174.038 174.700 -0.294 0.000 1.005 982 T CA -0.425 61.502 62.100 -0.288 0.000 0.944 982 T CB 0.561 69.329 68.868 -0.166 0.000 1.147 982 T HN 0.678 nan 8.240 nan 0.000 0.534 983 N N 0.839 119.390 118.700 -0.249 0.000 2.448 983 N HA 0.456 5.195 4.740 -0.001 0.000 0.279 983 N C -1.382 173.967 175.510 -0.268 0.000 1.025 983 N CA -0.472 52.376 53.050 -0.336 0.000 0.898 983 N CB 0.584 38.719 38.487 -0.587 0.000 1.303 983 N HN 0.461 nan 8.380 nan 0.000 0.495 984 L N 2.738 123.800 121.223 -0.268 0.000 2.322 984 L HA 0.525 4.864 4.340 -0.001 0.000 0.279 984 L C 0.594 177.337 176.870 -0.211 0.000 1.036 984 L CA -0.938 53.778 54.840 -0.208 0.000 0.807 984 L CB 1.492 43.438 42.059 -0.188 0.000 1.226 984 L HN 0.382 nan 8.230 nan 0.000 0.433 985 M N 2.172 121.667 119.600 -0.174 0.000 2.249 985 M HA 0.063 4.543 4.480 -0.001 0.000 0.340 985 M C -0.131 176.079 176.300 -0.149 0.000 1.166 985 M CA -0.076 55.124 55.300 -0.167 0.000 1.115 985 M CB 0.421 32.927 32.600 -0.155 0.000 1.606 985 M HN 0.459 nan 8.290 nan 0.000 0.448 986 Q N 1.980 121.696 119.800 -0.139 0.000 2.307 986 Q HA 0.172 4.511 4.340 -0.001 0.000 0.259 986 Q C -0.156 175.785 176.000 -0.097 0.000 0.998 986 Q CA 0.156 55.891 55.803 -0.113 0.000 0.923 986 Q CB 0.812 29.487 28.738 -0.105 0.000 1.196 986 Q HN 0.800 nan 8.270 nan 0.000 0.416 987 c N 0.483 119.029 118.600 -0.090 0.000 3.240 987 c HA 0.359 4.928 4.570 -0.001 0.000 0.271 987 c C 1.250 175.300 174.090 -0.066 0.000 1.534 987 c CA -0.024 56.257 56.329 -0.080 0.000 1.796 987 c CB -0.320 42.137 42.510 -0.089 0.000 2.892 987 c HN 0.995 nan 8.230 nan 0.000 0.566 988 G N 1.463 110.225 108.800 -0.063 0.000 2.141 988 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.242 988 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.242 988 G C -0.020 174.849 174.900 -0.052 0.000 0.982 988 G CA 0.373 45.441 45.100 -0.053 0.000 0.662 988 G HN 0.451 nan 8.290 nan 0.000 0.527 989 T N 2.896 117.414 114.554 -0.059 0.000 2.794 989 T HA 0.493 4.842 4.350 -0.001 0.000 0.304 989 T C -1.773 172.890 174.700 -0.062 0.000 0.973 989 T CA -0.664 61.401 62.100 -0.058 0.000 0.972 989 T CB 1.425 70.256 68.868 -0.062 0.000 0.952 989 T HN 0.193 nan 8.240 nan 0.000 0.509 990 P HA 0.028 nan 4.420 nan 0.000 0.261 990 P C 0.212 177.467 177.300 -0.075 0.000 1.173 990 P CA -0.187 62.878 63.100 -0.058 0.000 0.760 990 P CB 0.414 32.087 31.700 -0.046 0.000 0.783 991 E N 3.166 123.320 120.200 -0.077 0.000 2.417 991 E HA -0.037 4.312 4.350 -0.001 0.000 0.261 991 E C 0.090 176.618 176.600 -0.122 0.000 1.000 991 E CA -0.382 55.963 56.400 -0.093 0.000 0.919 991 E CB 0.446 30.101 29.700 -0.076 0.000 0.955 991 E HN 0.478 nan 8.360 nan 0.000 0.455 992 E N 4.594 124.678 120.200 -0.193 0.000 2.343 992 E HA 0.022 4.371 4.350 -0.001 0.000 0.269 992 E C -0.670 175.723 176.600 -0.345 0.000 1.047 992 E CA -0.824 55.348 56.400 -0.381 0.000 0.874 992 E CB 0.357 29.718 29.700 -0.566 0.000 1.033 992 E HN 0.721 nan 8.360 nan 0.000 0.409 993 H N 0.803 119.867 119.070 -0.010 0.000 3.218 993 H HA 0.019 4.574 4.556 -0.001 0.000 0.259 993 H C -0.336 174.997 175.328 0.008 0.000 0.834 993 H CA 0.759 56.804 56.048 -0.004 0.000 1.424 993 H CB -0.622 29.136 29.762 -0.006 0.000 1.405 993 H HN 0.569 nan 8.280 nan 0.000 0.520 994 T N 0.773 115.379 114.554 0.086 0.000 2.901 994 T HA 0.439 4.788 4.350 -0.001 0.000 0.293 994 T C -0.266 174.488 174.700 0.090 0.000 1.084 994 T CA -1.370 60.787 62.100 0.095 0.000 1.008 994 T CB 1.873 70.770 68.868 0.050 0.000 1.170 994 T HN 0.737 nan 8.240 nan 0.000 0.509 995 Q N 0.852 120.711 119.800 0.098 0.000 2.259 995 Q HA 0.349 4.688 4.340 -0.001 0.000 0.249 995 Q C -0.190 175.841 176.000 0.052 0.000 0.914 995 Q CA -0.800 55.047 55.803 0.074 0.000 0.904 995 Q CB 1.397 30.187 28.738 0.088 0.000 1.213 995 Q HN 0.588 nan 8.270 nan 0.000 0.428 996 K N 2.035 122.451 120.400 0.028 0.000 2.451 996 K HA 0.034 4.353 4.320 -0.001 0.000 0.280 996 K C -0.929 175.675 176.600 0.007 0.000 1.020 996 K CA -0.226 56.067 56.287 0.009 0.000 1.008 996 K CB 0.325 32.819 32.500 -0.010 0.000 0.917 996 K HN 0.397 nan 8.250 nan 0.000 0.478 997 L N 4.841 126.065 121.223 0.001 0.000 2.257 997 L HA 0.267 4.606 4.340 -0.001 0.000 0.290 997 L C -1.098 175.736 176.870 -0.061 0.000 1.044 997 L CA -0.007 54.825 54.840 -0.014 0.000 0.810 997 L CB 1.175 43.237 42.059 0.005 0.000 1.193 997 L HN 0.609 nan 8.230 nan 0.000 0.425 998 D N 3.522 123.879 120.400 -0.072 0.000 2.460 998 D HA 0.162 4.801 4.640 -0.001 0.000 0.232 998 D C 1.051 177.257 176.300 -0.158 0.000 1.079 998 D CA -0.297 53.639 54.000 -0.108 0.000 0.864 998 D CB 1.275 42.053 40.800 -0.036 0.000 1.048 998 D HN 0.381 nan 8.370 nan 0.000 0.523 999 V N 1.426 121.148 119.914 -0.320 0.000 2.720 999 V HA -0.167 3.952 4.120 -0.001 0.000 0.256 999 V C 2.114 177.901 176.094 -0.512 0.000 1.082 999 V CA 1.026 62.961 62.300 -0.608 0.000 1.101 999 V CB -1.062 30.124 31.823 -1.060 0.000 0.693 999 V HN 0.611 nan 8.190 nan 0.000 0.479 1000 c N 0.573 119.011 118.600 -0.270 0.000 2.437 1000 c HA 0.020 4.589 4.570 -0.001 0.000 0.283 1000 c C 2.154 176.148 174.090 -0.160 0.000 1.424 1000 c CA 1.233 57.474 56.329 -0.148 0.000 1.782 1000 c CB -1.727 40.686 42.510 -0.161 0.000 1.833 1000 c HN 0.765 nan 8.230 nan 0.000 0.532 1001 H N -0.898 118.155 119.070 -0.028 0.000 2.520 1001 H HA 0.257 4.812 4.556 -0.001 0.000 0.284 1001 H C 1.722 177.090 175.328 0.066 0.000 1.037 1001 H CA 0.006 56.077 56.048 0.039 0.000 1.168 1001 H CB 0.048 29.813 29.762 0.006 0.000 1.497 1001 H HN 0.346 nan 8.280 nan 0.000 0.547 1002 L N -0.139 121.151 121.223 0.112 0.000 2.141 1002 L HA -0.027 4.312 4.340 -0.001 0.000 0.209 1002 L C 0.158 177.182 176.870 0.257 0.000 1.094 1002 L CA 0.892 55.826 54.840 0.157 0.000 0.763 1002 L CB 0.102 42.219 42.059 0.096 0.000 0.908 1002 L HN 0.205 nan 8.230 nan 0.000 0.437 1003 L N -0.047 121.287 121.223 0.185 0.000 2.331 1003 L HA 0.394 4.733 4.340 -0.001 0.000 0.275 1003 L C -2.081 174.854 176.870 0.107 0.000 1.022 1003 L CA -2.009 52.870 54.840 0.064 0.000 0.812 1003 L CB 1.583 43.446 42.059 -0.326 0.000 1.257 1003 L HN -0.215 nan 8.230 nan 0.000 0.435 1004 P HA 0.112 nan 4.420 nan 0.000 0.274 1004 P C -0.848 176.576 177.300 0.207 0.000 1.256 1004 P CA -0.235 62.948 63.100 0.137 0.000 0.795 1004 P CB 0.331 32.086 31.700 0.091 0.000 1.038 1005 N N -3.286 115.512 118.700 0.164 0.000 2.754 1005 N HA -0.153 4.586 4.740 -0.001 0.000 0.248 1005 N C 0.029 175.617 175.510 0.130 0.000 1.093 1005 N CA 0.058 53.190 53.050 0.137 0.000 0.699 1005 N CB -2.014 36.543 38.487 0.118 0.000 1.016 1005 N HN 0.258 nan 8.380 nan 0.000 0.552 1006 V N -0.026 119.918 119.914 0.051 0.000 2.585 1006 V HA 0.352 4.471 4.120 -0.001 0.000 0.296 1006 V C 1.216 177.209 176.094 -0.169 0.000 1.035 1006 V CA 1.171 63.322 62.300 -0.247 0.000 1.084 1006 V CB 1.181 32.756 31.823 -0.414 0.000 0.953 1006 V HN 0.441 nan 8.190 nan 0.000 0.483 1007 A N 7.005 129.704 122.820 -0.202 0.000 2.192 1007 A HA 0.481 4.800 4.320 -0.001 0.000 0.208 1007 A C 0.961 178.509 177.584 -0.059 0.000 1.220 1007 A CA 0.054 52.038 52.037 -0.090 0.000 0.900 1007 A CB 0.248 19.212 19.000 -0.061 0.000 0.937 1007 A HN 0.779 nan 8.150 nan 0.000 0.487 1008 R N -1.639 118.798 120.500 -0.105 0.000 2.634 1008 R HA 0.473 4.812 4.340 -0.001 0.000 0.263 1008 R C -2.327 173.952 176.300 -0.036 0.000 1.060 1008 R CA -0.332 55.771 56.100 0.005 0.000 0.898 1008 R CB 1.442 31.755 30.300 0.021 0.000 1.253 1008 R HN 0.303 nan 8.270 nan 0.000 0.461 1009 c N 2.717 121.347 118.600 0.050 0.000 2.431 1009 c HA 0.620 5.189 4.570 -0.001 0.000 0.321 1009 c C -1.142 173.044 174.090 0.159 0.000 1.202 1009 c CA -0.216 56.145 56.329 0.052 0.000 1.398 1009 c CB 1.318 43.816 42.510 -0.020 0.000 2.047 1009 c HN 0.930 nan 8.230 nan 0.000 0.465 1010 E N 2.893 123.211 120.200 0.196 0.000 2.248 1010 E HA 0.439 4.788 4.350 -0.001 0.000 0.267 1010 E C -0.884 175.890 176.600 0.290 0.000 0.877 1010 E CA -0.565 55.968 56.400 0.222 0.000 0.759 1010 E CB 1.780 31.574 29.700 0.157 0.000 1.182 1010 E HN 0.644 nan 8.360 nan 0.000 0.418 1011 R N 1.523 122.176 120.500 0.255 0.000 2.390 1011 R HA 0.298 4.637 4.340 -0.001 0.000 0.291 1011 R C -0.471 175.864 176.300 0.058 0.000 1.070 1011 R CA 0.151 56.326 56.100 0.124 0.000 1.014 1011 R CB 0.585 30.932 30.300 0.078 0.000 1.007 1011 R HN 0.677 nan 8.270 nan 0.000 0.466 1012 T N -0.279 114.281 114.554 0.011 0.000 2.887 1012 T HA 0.338 4.687 4.350 -0.001 0.000 0.292 1012 T C 0.121 174.806 174.700 -0.025 0.000 1.087 1012 T CA -0.782 61.345 62.100 0.046 0.000 1.009 1012 T CB 1.418 70.383 68.868 0.163 0.000 1.203 1012 T HN 0.625 nan 8.240 nan 0.000 0.518 1013 T N 0.199 114.742 114.554 -0.019 0.000 2.791 1013 T HA 0.172 4.521 4.350 -0.001 0.000 0.323 1013 T C 1.576 176.195 174.700 -0.135 0.000 1.082 1013 T CA -0.627 61.439 62.100 -0.057 0.000 1.084 1013 T CB -0.085 68.767 68.868 -0.027 0.000 0.992 1013 T HN 0.571 nan 8.240 nan 0.000 0.547 1014 L N 1.124 122.253 121.223 -0.157 0.000 2.362 1014 L HA -0.020 4.319 4.340 -0.001 0.000 0.219 1014 L C 2.819 179.393 176.870 -0.493 0.000 1.134 1014 L CA 1.353 56.030 54.840 -0.271 0.000 0.807 1014 L CB -0.994 40.993 42.059 -0.120 0.000 0.927 1014 L HN 0.986 nan 8.230 nan 0.000 0.447 1015 T N -4.994 109.377 114.554 -0.304 0.000 3.129 1015 T HA 0.022 4.371 4.350 -0.001 0.000 0.251 1015 T C 0.733 175.331 174.700 -0.171 0.000 1.117 1015 T CA -0.232 61.724 62.100 -0.240 0.000 1.034 1015 T CB -0.117 68.735 68.868 -0.027 0.000 0.968 1015 T HN 0.198 nan 8.240 nan 0.000 0.526 1016 F N -0.789 119.175 119.950 0.023 0.000 2.840 1016 F HA -0.187 4.339 4.527 -0.001 0.000 0.310 1016 F C 0.987 176.789 175.800 0.003 0.000 0.688 1016 F CA -0.077 57.929 58.000 0.010 0.000 1.286 1016 F CB -2.359 36.642 39.000 0.003 0.000 1.612 1016 F HN 0.241 nan 8.300 nan 0.000 0.335 1017 L N -0.879 120.416 121.223 0.121 0.000 2.529 1017 L HA 0.110 4.449 4.340 -0.001 0.000 0.223 1017 L C 1.060 177.954 176.870 0.039 0.000 1.113 1017 L CA 0.847 55.730 54.840 0.072 0.000 0.861 1017 L CB 0.175 42.260 42.059 0.043 0.000 1.012 1017 L HN 0.340 nan 8.230 nan 0.000 0.461 1018 Q N 0.512 120.336 119.800 0.039 0.000 2.305 1018 Q HA 0.273 4.612 4.340 -0.001 0.000 0.271 1018 Q C -1.191 174.828 176.000 0.032 0.000 1.046 1018 Q CA -0.710 55.104 55.803 0.018 0.000 0.798 1018 Q CB 1.885 30.620 28.738 -0.005 0.000 1.286 1018 Q HN 0.086 nan 8.270 nan 0.000 0.435 1019 N N 4.392 123.110 118.700 0.029 0.000 2.470 1019 N HA 0.178 4.917 4.740 -0.001 0.000 0.268 1019 N C 0.305 175.833 175.510 0.031 0.000 1.136 1019 N CA 0.231 53.305 53.050 0.040 0.000 0.961 1019 N CB 1.077 39.584 38.487 0.032 0.000 1.067 1019 N HN 0.642 nan 8.380 nan 0.000 0.468 1020 L N 0.492 121.739 121.223 0.039 0.000 2.537 1020 L HA 0.298 4.638 4.340 -0.001 0.000 0.224 1020 L C 0.573 177.472 176.870 0.049 0.000 1.065 1020 L CA 0.375 55.232 54.840 0.029 0.000 0.860 1020 L CB 0.351 42.416 42.059 0.010 0.000 1.086 1020 L HN 0.529 nan 8.230 nan 0.000 0.482 1021 E N -0.362 119.887 120.200 0.081 0.000 2.347 1021 E HA 0.121 4.470 4.350 -0.001 0.000 0.285 1021 E C -1.322 175.379 176.600 0.168 0.000 0.925 1021 E CA -0.535 55.929 56.400 0.107 0.000 0.779 1021 E CB 1.445 31.201 29.700 0.094 0.000 1.233 1021 E HN 0.100 nan 8.360 nan 0.000 0.414 1022 H N 6.014 125.110 119.070 0.044 0.000 2.604 1022 H HA 0.320 4.876 4.556 -0.001 0.000 0.306 1022 H C -0.745 174.609 175.328 0.043 0.000 1.075 1022 H CA -0.532 55.539 56.048 0.039 0.000 1.357 1022 H CB 0.700 30.476 29.762 0.023 0.000 1.426 1022 H HN 0.385 nan 8.280 nan 0.000 0.470 1023 L N 5.314 126.472 121.223 -0.108 0.000 2.276 1023 L HA 0.105 4.444 4.340 -0.001 0.000 0.286 1023 L C 0.185 176.912 176.870 -0.239 0.000 1.061 1023 L CA -0.847 53.924 54.840 -0.114 0.000 0.807 1023 L CB 1.107 43.163 42.059 -0.004 0.000 1.177 1023 L HN 0.652 nan 8.230 nan 0.000 0.429 1024 D N 2.962 123.263 120.400 -0.166 0.000 2.487 1024 D HA 0.109 4.748 4.640 -0.001 0.000 0.243 1024 D C 1.174 177.423 176.300 -0.085 0.000 1.154 1024 D CA 1.250 55.168 54.000 -0.136 0.000 0.876 1024 D CB 1.208 41.962 40.800 -0.078 0.000 1.161 1024 D HN 0.856 nan 8.370 nan 0.000 0.478 1025 G N 3.211 111.969 108.800 -0.071 0.000 2.155 1025 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.257 1025 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.257 1025 G C 0.809 175.734 174.900 0.042 0.000 0.983 1025 G CA 0.417 45.510 45.100 -0.013 0.000 0.676 1025 G HN 0.643 nan 8.290 nan 0.000 0.528 1026 M N -2.660 116.933 119.600 -0.012 0.000 2.576 1026 M HA -0.188 4.292 4.480 -0.001 0.000 0.200 1026 M C 0.095 176.425 176.300 0.050 0.000 0.487 1026 M CA 0.906 56.200 55.300 -0.009 0.000 0.553 1026 M CB -1.808 30.767 32.600 -0.042 0.000 2.042 1026 M HN 0.238 nan 8.290 nan 0.000 0.758 1027 V N 0.773 120.702 119.914 0.026 0.000 2.398 1027 V HA 0.730 4.850 4.120 -0.001 0.000 0.286 1027 V C 0.592 176.613 176.094 -0.123 0.000 1.026 1027 V CA -0.340 61.963 62.300 0.006 0.000 0.868 1027 V CB 1.790 33.608 31.823 -0.009 0.000 0.982 1027 V HN 0.375 nan 8.190 nan 0.000 0.443 1028 A N 8.022 130.686 122.820 -0.259 0.000 2.310 1028 A HA 0.740 5.059 4.320 -0.001 0.000 0.300 1028 A C -2.441 174.872 177.584 -0.452 0.000 1.269 1028 A CA -1.419 50.238 52.037 -0.633 0.000 0.909 1028 A CB 0.071 18.405 19.000 -1.108 0.000 1.144 1028 A HN 0.624 nan 8.150 nan 0.000 0.540 1029 P HA 0.189 nan 4.420 nan 0.000 0.271 1029 P C -0.146 177.142 177.300 -0.021 0.000 1.218 1029 P CA -0.184 62.868 63.100 -0.080 0.000 0.780 1029 P CB 0.567 32.279 31.700 0.021 0.000 0.901 1030 E N 0.106 120.307 120.200 0.000 0.000 2.408 1030 E HA 0.207 4.556 4.350 -0.001 0.000 0.259 1030 E C 0.166 176.814 176.600 0.080 0.000 1.110 1030 E CA -0.684 55.744 56.400 0.047 0.000 0.929 1030 E CB 0.446 30.157 29.700 0.018 0.000 0.971 1030 E HN 0.288 nan 8.360 nan 0.000 0.438 1031 V N -1.044 118.922 119.914 0.087 0.000 2.997 1031 V HA 0.306 4.426 4.120 -0.001 0.000 0.311 1031 V C 0.238 176.335 176.094 0.005 0.000 1.066 1031 V CA -1.120 61.219 62.300 0.065 0.000 1.039 1031 V CB 1.140 33.006 31.823 0.071 0.000 1.081 1031 V HN 0.734 nan 8.190 nan 0.000 0.467 1032 c N 2.487 121.085 118.600 -0.003 0.000 2.595 1032 c HA 0.433 5.003 4.570 -0.001 0.000 0.384 1032 c C -2.049 171.988 174.090 -0.089 0.000 1.289 1032 c CA -0.346 55.963 56.329 -0.034 0.000 2.372 1032 c CB -0.043 42.464 42.510 -0.006 0.000 2.593 1032 c HN 0.810 nan 8.230 nan 0.000 0.639 1033 P HA 0.041 nan 4.420 nan 0.000 0.264 1033 P C 0.266 177.420 177.300 -0.243 0.000 1.183 1033 P CA 0.904 63.873 63.100 -0.218 0.000 0.763 1033 P CB 0.177 31.728 31.700 -0.248 0.000 0.807 1034 M N -1.262 118.146 119.600 -0.320 0.000 2.907 1034 M HA -0.184 4.295 4.480 -0.001 0.000 0.186 1034 M C -0.127 176.195 176.300 0.036 0.000 0.631 1034 M CA 1.376 56.487 55.300 -0.314 0.000 0.700 1034 M CB -2.082 30.015 32.600 -0.838 0.000 2.523 1034 M HN 0.414 nan 8.290 nan 0.000 0.323 1035 E N 0.448 120.647 120.200 -0.001 0.000 2.227 1035 E HA 0.718 5.067 4.350 -0.001 0.000 0.268 1035 E C 0.042 176.711 176.600 0.114 0.000 0.990 1035 E CA -0.079 56.389 56.400 0.113 0.000 0.856 1035 E CB 1.483 31.212 29.700 0.049 0.000 1.159 1035 E HN 0.148 nan 8.360 nan 0.000 0.401 1036 T N 0.519 115.153 114.554 0.133 0.000 2.881 1036 T HA 0.712 5.061 4.350 -0.001 0.000 0.290 1036 T C -0.863 173.847 174.700 0.016 0.000 1.000 1036 T CA -0.667 61.520 62.100 0.145 0.000 0.978 1036 T CB 1.625 70.592 68.868 0.165 0.000 0.997 1036 T HN 0.500 nan 8.240 nan 0.000 0.443 1037 A N 1.833 124.665 122.820 0.020 0.000 2.515 1037 A HA 0.995 5.315 4.320 -0.001 0.000 0.296 1037 A C -1.030 176.445 177.584 -0.182 0.000 1.094 1037 A CA -0.938 51.013 52.037 -0.143 0.000 0.718 1037 A CB 1.534 20.407 19.000 -0.213 0.000 1.307 1037 A HN 1.124 nan 8.150 nan 0.000 0.408 1038 A N 0.301 122.922 122.820 -0.332 0.000 2.365 1038 A HA 0.826 5.145 4.320 -0.001 0.000 0.318 1038 A C -1.603 175.780 177.584 -0.335 0.000 1.091 1038 A CA -0.355 51.597 52.037 -0.141 0.000 0.763 1038 A CB 0.761 19.716 19.000 -0.074 0.000 1.248 1038 A HN 0.858 nan 8.150 nan 0.000 0.442 1039 Y N 0.116 120.633 120.300 0.362 0.000 2.512 1039 Y HA 0.572 5.121 4.550 -0.001 0.000 0.348 1039 Y C -0.251 175.827 175.900 0.297 0.000 0.990 1039 Y CA -0.918 57.352 58.100 0.282 0.000 1.033 1039 Y CB 2.458 41.045 38.460 0.213 0.000 1.259 1039 Y HN 0.413 nan 8.280 nan 0.000 0.461 1040 V N 2.399 122.517 119.914 0.339 0.000 2.487 1040 V HA 0.506 4.625 4.120 -0.001 0.000 0.298 1040 V C -0.603 175.582 176.094 0.151 0.000 1.028 1040 V CA -0.951 61.443 62.300 0.156 0.000 0.860 1040 V CB 1.755 33.603 31.823 0.042 0.000 0.991 1040 V HN 0.833 nan 8.190 nan 0.000 0.427 1041 S N 3.355 119.150 115.700 0.158 0.000 2.508 1041 S HA 0.710 5.179 4.470 -0.001 0.000 0.284 1041 S C -0.224 174.314 174.600 -0.103 0.000 1.192 1041 S CA -0.584 57.635 58.200 0.032 0.000 1.070 1041 S CB 1.562 64.863 63.200 0.167 0.000 1.004 1041 S HN 0.564 nan 8.310 nan 0.000 0.493 1042 S N 2.430 117.946 115.700 -0.307 0.000 2.501 1042 S HA 0.524 4.994 4.470 -0.001 0.000 0.301 1042 S C -0.884 173.390 174.600 -0.543 0.000 1.096 1042 S CA -0.766 57.283 58.200 -0.252 0.000 1.063 1042 S CB 0.501 63.629 63.200 -0.120 0.000 1.042 1042 S HN 0.786 nan 8.310 nan 0.000 0.494 1043 H N 0.916 119.977 119.070 -0.015 0.000 2.667 1043 H HA 0.269 4.824 4.556 -0.001 0.000 0.353 1043 H C 0.170 175.495 175.328 -0.005 0.000 1.072 1043 H CA -0.542 55.500 56.048 -0.010 0.000 1.214 1043 H CB 1.792 31.550 29.762 -0.007 0.000 1.600 1043 H HN 0.664 nan 8.280 nan 0.000 0.527 1044 S N 1.398 117.147 115.700 0.082 0.000 2.575 1044 S HA 0.046 4.516 4.470 -0.001 0.000 0.215 1044 S C 0.632 175.265 174.600 0.056 0.000 0.966 1044 S CA -0.131 58.098 58.200 0.048 0.000 0.911 1044 S CB 0.066 63.282 63.200 0.027 0.000 0.780 1044 S HN 0.627 nan 8.310 nan 0.000 0.514 1045 S N 0.000 115.749 115.700 0.081 0.000 2.498 1045 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.236 58.200 0.060 0.000 1.107 1045 S CB 0.000 63.231 63.200 0.052 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517