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 3f73_1_B DATA FIRST_RESID 4 DATA SEQUENCE LGKTEVFLNR FALRPLNPEE LRPWRLEVVL DPPPGREEVY PLLAQVARRA DATA SEQUENCE GGVTVRMGDG LASWSPPEVL VLEGTLARMG QTYAYRLYPK GRRPLDPKDP DATA SEQUENCE GERSVLSALA RRLLQERLRR LEGVWVEGLA VYRREHARGP GWRVLGGAVL DATA SEQUENCE DLWVSDSGAF LLEVDPAYRI LCEMSLEAWL AQGHPLPKRV RNAYDRRTWE DATA SEQUENCE LLRLGEEDPK ELPLPGGLSL LDYHASKGRL QGREGGRVAW VADPKDPRKP DATA SEQUENCE IPHLTGLLVP VLTLEDLHXX XGSLALSLPW EERRRRTREI ASWIGRRLGL DATA SEQUENCE GTPEAVRAQA YRLSIPKLMG RRAVSKPADA LRVGFYRAQE TALALLRLDG DATA SEQUENCE AQGWPEFLRR ALLRAFGASG ASLRLHTLHA HPSQGLAFRE ALRKAKEEGV DATA SEQUENCE QAVLVLTPPM AWEDRNRLKA LLLREGLPSQ ILNVPLREEE RHRWENALLG DATA SEQUENCE LLAKAGLQVV ALSGXYPAEL AVGFDAGGRE SFRFGGAACA VGGXXGHLLW DATA SEQUENCE TLPEAQAXXX IPQEVVWDLL EETLWAFRRX AGRLPSRVLL LRDGRVPQDE DATA SEQUENCE FALALEALAR EGIAYDLVSV RKSGGGRVYP VQGRLADGLY VPLEDKTFLL DATA SEQUENCE LTVHRXXRGT PRPLKLVHEA GDTPLEALAH QIFHLTRLYP ASGFAFPRLP DATA SEQUENCE APLHLADRLV KEVGRLGIRH LKEVDREKLF FV 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.904 176.870 0.056 0.000 1.165 4 L CA 0.000 54.868 54.840 0.048 0.000 0.813 4 L CB 0.000 42.094 42.059 0.058 0.000 0.961 5 G N -0.104 108.747 108.800 0.086 0.000 2.990 5 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.225 5 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.225 5 G C 0.405 175.426 174.900 0.201 0.000 1.304 5 G CA 1.371 46.540 45.100 0.116 0.000 0.816 5 G HN 2.464 nan 8.290 nan 0.000 0.528 6 K N -0.202 120.261 120.400 0.105 0.000 2.587 6 K HA 0.621 4.941 4.320 -0.001 0.000 0.276 6 K C -0.744 175.792 176.600 -0.106 0.000 0.956 6 K CA 0.154 56.455 56.287 0.023 0.000 0.857 6 K CB 1.410 33.955 32.500 0.075 0.000 1.431 6 K HN 0.546 nan 8.250 nan 0.000 0.420 7 T N 0.214 114.617 114.554 -0.251 0.000 2.663 7 T HA 0.275 4.624 4.350 -0.001 0.000 0.302 7 T C -1.744 172.780 174.700 -0.293 0.000 1.523 7 T CA -0.982 60.987 62.100 -0.218 0.000 1.011 7 T CB 0.974 69.733 68.868 -0.181 0.000 1.841 7 T HN 0.764 nan 8.240 nan 0.000 0.462 8 E N -0.370 119.672 120.200 -0.263 0.000 2.372 8 E HA 0.690 5.040 4.350 -0.001 0.000 0.279 8 E C -1.336 175.075 176.600 -0.314 0.000 0.946 8 E CA -1.091 55.130 56.400 -0.298 0.000 0.769 8 E CB 2.200 31.732 29.700 -0.279 0.000 1.230 8 E HN 0.683 nan 8.360 nan 0.000 0.442 9 V N -1.150 118.562 119.914 -0.337 0.000 3.167 9 V HA 0.722 4.841 4.120 -0.001 0.000 0.310 9 V C -1.109 174.768 176.094 -0.361 0.000 1.207 9 V CA -0.981 61.131 62.300 -0.313 0.000 1.059 9 V CB 1.368 33.063 31.823 -0.212 0.000 1.079 9 V HN 0.663 nan 8.190 nan 0.000 0.446 10 F N 0.429 120.339 119.950 -0.068 0.000 2.507 10 F HA 0.858 5.385 4.527 -0.001 0.000 0.327 10 F C -0.002 175.752 175.800 -0.077 0.000 1.068 10 F CA -0.975 57.002 58.000 -0.038 0.000 0.965 10 F CB 1.786 40.824 39.000 0.063 0.000 1.192 10 F HN 0.408 nan 8.300 nan 0.000 0.476 11 L N 0.866 122.175 121.223 0.144 0.000 2.301 11 L HA 0.415 4.755 4.340 -0.001 0.000 0.264 11 L C 0.384 177.247 176.870 -0.012 0.000 1.016 11 L CA -0.958 53.878 54.840 -0.006 0.000 0.821 11 L CB 1.885 43.934 42.059 -0.016 0.000 1.346 11 L HN 0.619 nan 8.230 nan 0.000 0.429 12 N N 0.256 118.964 118.700 0.013 0.000 2.542 12 N HA 0.086 4.826 4.740 -0.001 0.000 0.234 12 N C -0.433 175.100 175.510 0.040 0.000 1.257 12 N CA -0.289 52.831 53.050 0.118 0.000 0.883 12 N CB 0.043 38.646 38.487 0.193 0.000 1.197 12 N HN 0.458 nan 8.380 nan 0.000 0.488 13 R N 0.463 120.845 120.500 -0.197 0.000 2.637 13 R HA 0.453 4.793 4.340 -0.001 0.000 0.291 13 R C -1.322 174.667 176.300 -0.518 0.000 0.963 13 R CA -0.614 55.392 56.100 -0.158 0.000 0.901 13 R CB 1.364 31.651 30.300 -0.022 0.000 1.160 13 R HN 0.055 nan 8.270 nan 0.000 0.457 14 F N 0.637 120.565 119.950 -0.036 0.000 2.529 14 F HA 0.521 5.047 4.527 -0.001 0.000 0.320 14 F C 0.218 175.973 175.800 -0.076 0.000 1.118 14 F CA -0.910 57.066 58.000 -0.039 0.000 0.915 14 F CB 2.037 41.013 39.000 -0.040 0.000 1.161 14 F HN 0.539 nan 8.300 nan 0.000 0.445 15 A N 4.174 127.048 122.820 0.089 0.000 2.316 15 A HA 0.869 5.188 4.320 -0.001 0.000 0.284 15 A C -0.725 176.899 177.584 0.066 0.000 1.115 15 A CA -0.256 51.805 52.037 0.040 0.000 0.812 15 A CB 0.548 19.564 19.000 0.027 0.000 1.064 15 A HN 0.821 nan 8.150 nan 0.000 0.489 16 L N 0.759 122.021 121.223 0.064 0.000 2.171 16 L HA 0.584 4.923 4.340 -0.001 0.000 0.253 16 L C 0.940 177.868 176.870 0.097 0.000 1.054 16 L CA -1.213 53.674 54.840 0.077 0.000 0.927 16 L CB 0.601 42.709 42.059 0.081 0.000 1.513 16 L HN 0.892 nan 8.230 nan 0.000 0.471 17 R N 0.776 121.339 120.500 0.106 0.000 2.924 17 R HA 0.104 4.443 4.340 -0.001 0.000 0.272 17 R C -2.631 173.715 176.300 0.078 0.000 1.012 17 R CA -0.524 55.628 56.100 0.086 0.000 1.171 17 R CB 0.162 30.510 30.300 0.081 0.000 1.086 17 R HN 0.214 nan 8.270 nan 0.000 0.489 18 P HA 0.204 nan 4.420 nan 0.000 0.293 18 P C -0.993 176.229 177.300 -0.130 0.000 1.291 18 P CA -0.692 62.362 63.100 -0.077 0.000 0.867 18 P CB 0.751 32.418 31.700 -0.054 0.000 1.074 19 L N 3.059 124.129 121.223 -0.256 0.000 2.774 19 L HA 0.026 4.365 4.340 -0.001 0.000 0.279 19 L C 1.073 177.848 176.870 -0.158 0.000 1.137 19 L CA 0.452 55.127 54.840 -0.274 0.000 1.021 19 L CB -2.001 39.871 42.059 -0.311 0.000 1.366 19 L HN 0.420 nan 8.230 nan 0.000 0.471 20 N N 5.664 124.285 118.700 -0.133 0.000 2.237 20 N HA -0.030 4.709 4.740 -0.001 0.000 0.222 20 N C -1.591 173.855 175.510 -0.107 0.000 1.311 20 N CA -0.778 52.210 53.050 -0.104 0.000 0.880 20 N CB -0.356 38.074 38.487 -0.095 0.000 1.106 20 N HN 0.271 nan 8.380 nan 0.000 0.435 21 P HA -0.220 nan 4.420 nan 0.000 0.217 21 P C 0.568 177.814 177.300 -0.089 0.000 1.151 21 P CA 1.715 64.770 63.100 -0.075 0.000 0.849 21 P CB 0.148 31.811 31.700 -0.063 0.000 0.787 22 E N -0.131 120.003 120.200 -0.111 0.000 2.208 22 E HA -0.126 4.223 4.350 -0.001 0.000 0.193 22 E C 2.086 178.600 176.600 -0.143 0.000 0.988 22 E CA 0.918 57.242 56.400 -0.126 0.000 0.828 22 E CB -0.439 29.193 29.700 -0.114 0.000 0.763 22 E HN 0.434 nan 8.360 nan 0.000 0.478 23 E N -0.204 119.864 120.200 -0.220 0.000 2.152 23 E HA -0.047 4.302 4.350 -0.001 0.000 0.192 23 E C 1.522 178.187 176.600 0.109 0.000 0.983 23 E CA 0.482 56.702 56.400 -0.300 0.000 0.818 23 E CB 0.075 29.461 29.700 -0.524 0.000 0.758 23 E HN 0.237 nan 8.360 nan 0.000 0.467 24 L N 0.595 121.830 121.223 0.019 0.000 2.552 24 L HA 0.029 4.368 4.340 -0.001 0.000 0.227 24 L C 0.490 177.391 176.870 0.053 0.000 1.146 24 L CA 0.287 55.159 54.840 0.053 0.000 0.858 24 L CB 0.198 42.253 42.059 -0.006 0.000 0.969 24 L HN -0.088 nan 8.230 nan 0.000 0.451 25 R N 0.828 121.348 120.500 0.033 0.000 2.564 25 R HA 0.336 4.675 4.340 -0.001 0.000 0.282 25 R C -2.594 173.697 176.300 -0.016 0.000 1.573 25 R CA -1.844 54.242 56.100 -0.023 0.000 1.588 25 R CB 0.351 30.587 30.300 -0.107 0.000 1.154 25 R HN -0.070 nan 8.270 nan 0.000 0.606 26 P HA 0.134 nan 4.420 nan 0.000 0.281 26 P C -0.246 177.101 177.300 0.079 0.000 1.249 26 P CA -0.524 62.704 63.100 0.213 0.000 0.810 26 P CB 0.767 32.619 31.700 0.252 0.000 1.008 27 W N 0.538 121.917 121.300 0.132 0.000 2.187 27 W HA 0.378 5.037 4.660 -0.001 0.000 0.348 27 W C 1.368 177.919 176.519 0.054 0.000 1.282 27 W CA 0.425 57.819 57.345 0.082 0.000 1.271 27 W CB -0.312 29.195 29.460 0.079 0.000 1.170 27 W HN 0.377 nan 8.180 nan 0.000 0.583 28 R N 2.176 122.848 120.500 0.286 0.000 2.561 28 R HA 0.802 5.141 4.340 -0.001 0.000 0.297 28 R C -1.855 174.549 176.300 0.174 0.000 0.969 28 R CA -0.971 55.231 56.100 0.170 0.000 0.879 28 R CB 0.622 30.986 30.300 0.107 0.000 1.178 28 R HN 0.568 nan 8.270 nan 0.000 0.445 29 L N 1.579 122.878 121.223 0.126 0.000 2.386 29 L HA 0.517 4.856 4.340 -0.001 0.000 0.271 29 L C 0.070 177.003 176.870 0.105 0.000 0.993 29 L CA -0.806 54.105 54.840 0.119 0.000 0.819 29 L CB 2.448 44.557 42.059 0.084 0.000 1.294 29 L HN 0.806 nan 8.230 nan 0.000 0.414 30 E N 1.329 121.621 120.200 0.154 0.000 2.277 30 E HA 0.647 4.996 4.350 -0.001 0.000 0.274 30 E C -1.174 175.548 176.600 0.203 0.000 1.022 30 E CA -0.782 55.710 56.400 0.152 0.000 0.853 30 E CB 2.162 31.956 29.700 0.157 0.000 1.086 30 E HN 0.231 nan 8.360 nan 0.000 0.397 31 V N 2.063 122.066 119.914 0.148 0.000 2.604 31 V HA 0.358 4.477 4.120 -0.001 0.000 0.305 31 V C -0.452 175.746 176.094 0.173 0.000 1.043 31 V CA -0.958 61.435 62.300 0.155 0.000 0.888 31 V CB 1.622 33.484 31.823 0.066 0.000 0.995 31 V HN 0.532 nan 8.190 nan 0.000 0.429 32 V N 3.693 123.747 119.914 0.232 0.000 2.448 32 V HA 0.769 4.889 4.120 -0.001 0.000 0.295 32 V C -0.794 175.409 176.094 0.182 0.000 1.025 32 V CA -0.528 61.890 62.300 0.198 0.000 0.859 32 V CB 1.385 33.355 31.823 0.245 0.000 0.988 32 V HN 0.673 nan 8.190 nan 0.000 0.431 33 L N 4.212 125.528 121.223 0.155 0.000 2.334 33 L HA 0.769 5.108 4.340 -0.001 0.000 0.273 33 L C -0.620 176.352 176.870 0.170 0.000 1.013 33 L CA -0.275 54.677 54.840 0.188 0.000 0.816 33 L CB 2.001 44.172 42.059 0.187 0.000 1.278 33 L HN 0.835 nan 8.230 nan 0.000 0.431 34 D N 3.120 123.630 120.400 0.184 0.000 2.890 34 D HA 0.336 4.975 4.640 -0.001 0.000 0.233 34 D C -2.870 173.462 176.300 0.053 0.000 1.306 34 D CA -1.399 52.663 54.000 0.104 0.000 0.929 34 D CB 3.120 43.959 40.800 0.065 0.000 1.512 34 D HN 0.095 nan 8.370 nan 0.000 0.568 35 P HA 0.361 nan 4.420 nan 0.000 0.276 35 P C -2.671 174.689 177.300 0.101 0.000 1.261 35 P CA -1.360 61.734 63.100 -0.009 0.000 0.800 35 P CB -0.224 31.425 31.700 -0.085 0.000 1.066 36 P HA 0.112 nan 4.420 nan 0.000 0.266 36 P C -2.102 175.311 177.300 0.187 0.000 1.193 36 P CA -0.104 63.072 63.100 0.125 0.000 0.770 36 P CB -1.075 30.672 31.700 0.080 0.000 0.836 37 P HA 0.282 nan 4.420 nan 0.000 0.307 37 P C 0.208 177.594 177.300 0.143 0.000 1.306 37 P CA -0.346 62.883 63.100 0.216 0.000 0.742 37 P CB 0.459 32.220 31.700 0.102 0.000 1.349 38 G N -2.272 106.600 108.800 0.120 0.000 2.642 38 G HA2 0.498 4.457 3.960 -0.001 0.000 0.291 38 G HA3 0.498 4.457 3.960 -0.001 0.000 0.291 38 G C 0.678 175.629 174.900 0.084 0.000 1.345 38 G CA -0.324 44.832 45.100 0.093 0.000 1.043 38 G HN 0.435 nan 8.290 nan 0.000 0.528 39 R N -1.797 118.748 120.500 0.074 0.000 2.280 39 R HA 0.485 4.824 4.340 -0.001 0.000 0.195 39 R C 1.929 178.276 176.300 0.078 0.000 0.935 39 R CA 1.628 57.776 56.100 0.080 0.000 1.033 39 R CB -1.203 29.133 30.300 0.059 0.000 0.964 39 R HN 0.793 nan 8.270 nan 0.000 0.489 40 E N 0.428 120.666 120.200 0.063 0.000 2.201 40 E HA 0.059 4.408 4.350 -0.001 0.000 0.193 40 E C 1.614 178.249 176.600 0.059 0.000 0.957 40 E CA 0.468 56.897 56.400 0.048 0.000 0.858 40 E CB 0.161 29.883 29.700 0.036 0.000 0.816 40 E HN 0.465 nan 8.360 nan 0.000 0.475 41 E N 0.251 120.486 120.200 0.060 0.000 2.489 41 E HA 0.072 4.421 4.350 -0.001 0.000 0.193 41 E C 1.920 178.529 176.600 0.015 0.000 1.057 41 E CA 0.575 56.993 56.400 0.031 0.000 0.866 41 E CB 0.410 30.125 29.700 0.024 0.000 0.916 41 E HN 0.370 nan 8.360 nan 0.000 0.500 42 V N 0.246 120.205 119.914 0.075 0.000 2.216 42 V HA -0.307 3.812 4.120 -0.001 0.000 0.243 42 V C 1.687 177.806 176.094 0.042 0.000 1.044 42 V CA 1.772 64.108 62.300 0.060 0.000 0.995 42 V CB -0.461 31.438 31.823 0.126 0.000 0.633 42 V HN 0.153 nan 8.190 nan 0.000 0.446 43 Y N 0.814 121.091 120.300 -0.039 0.000 2.207 43 Y HA -0.043 4.506 4.550 -0.001 0.000 0.287 43 Y C 0.203 176.069 175.900 -0.058 0.000 1.156 43 Y CA 2.105 60.180 58.100 -0.042 0.000 1.182 43 Y CB -2.238 36.205 38.460 -0.029 0.000 0.979 43 Y HN 0.416 nan 8.280 nan 0.000 0.521 44 P HA -0.152 nan 4.420 nan 0.000 0.217 44 P C 1.722 178.988 177.300 -0.056 0.000 1.150 44 P CA 1.410 64.519 63.100 0.015 0.000 0.832 44 P CB 0.000 31.705 31.700 0.008 0.000 0.787 45 L N -1.449 119.712 121.223 -0.103 0.000 2.044 45 L HA -0.128 4.212 4.340 -0.001 0.000 0.205 45 L C 2.391 179.153 176.870 -0.179 0.000 1.075 45 L CA 1.181 55.907 54.840 -0.191 0.000 0.747 45 L CB -0.848 41.037 42.059 -0.291 0.000 0.903 45 L HN -0.066 nan 8.230 nan 0.000 0.435 46 L N -0.368 120.759 121.223 -0.161 0.000 2.021 46 L HA -0.292 4.047 4.340 -0.001 0.000 0.215 46 L C 2.828 179.606 176.870 -0.154 0.000 1.074 46 L CA 1.466 56.203 54.840 -0.173 0.000 0.760 46 L CB -0.840 41.096 42.059 -0.206 0.000 0.889 46 L HN 0.297 nan 8.230 nan 0.000 0.433 47 A N -0.663 122.090 122.820 -0.112 0.000 1.978 47 A HA -0.297 4.023 4.320 -0.001 0.000 0.220 47 A C 2.267 179.786 177.584 -0.109 0.000 1.170 47 A CA 2.008 53.992 52.037 -0.088 0.000 0.636 47 A CB -0.561 18.410 19.000 -0.048 0.000 0.810 47 A HN 0.556 nan 8.150 nan 0.000 0.448 48 Q N -0.389 119.334 119.800 -0.129 0.000 2.230 48 Q HA -0.061 4.278 4.340 -0.001 0.000 0.202 48 Q C 1.746 177.621 176.000 -0.209 0.000 0.963 48 Q CA 1.365 57.084 55.803 -0.139 0.000 0.866 48 Q CB -0.105 28.555 28.738 -0.130 0.000 0.931 48 Q HN 0.420 nan 8.270 nan 0.000 0.452 49 V N 0.890 120.634 119.914 -0.284 0.000 2.358 49 V HA -0.202 3.918 4.120 -0.001 0.000 0.246 49 V C 2.320 178.217 176.094 -0.328 0.000 1.047 49 V CA 1.654 63.671 62.300 -0.471 0.000 1.035 49 V CB -0.930 30.602 31.823 -0.485 0.000 0.658 49 V HN 0.489 nan 8.190 nan 0.000 0.452 50 A N 0.111 122.808 122.820 -0.204 0.000 2.125 50 A HA -0.153 4.166 4.320 -0.001 0.000 0.219 50 A C 2.431 179.952 177.584 -0.106 0.000 1.156 50 A CA 2.111 54.069 52.037 -0.133 0.000 0.671 50 A CB -0.542 18.397 19.000 -0.103 0.000 0.794 50 A HN 0.550 nan 8.150 nan 0.000 0.459 51 R N -0.386 120.046 120.500 -0.114 0.000 2.128 51 R HA 0.160 4.500 4.340 -0.001 0.000 0.211 51 R C 2.163 178.421 176.300 -0.070 0.000 1.067 51 R CA 0.967 57.021 56.100 -0.078 0.000 1.010 51 R CB -0.743 29.516 30.300 -0.069 0.000 0.922 51 R HN 0.539 nan 8.270 nan 0.000 0.457 52 R N 0.201 120.638 120.500 -0.106 0.000 2.115 52 R HA 0.097 4.436 4.340 -0.001 0.000 0.226 52 R C 2.616 178.907 176.300 -0.014 0.000 1.100 52 R CA 1.174 57.241 56.100 -0.055 0.000 0.980 52 R CB -0.343 29.913 30.300 -0.074 0.000 0.875 52 R HN 0.505 nan 8.270 nan 0.000 0.445 53 A N 0.824 123.607 122.820 -0.062 0.000 1.933 53 A HA 0.055 4.374 4.320 -0.001 0.000 0.218 53 A C 1.169 178.746 177.584 -0.012 0.000 1.175 53 A CA 1.553 53.583 52.037 -0.012 0.000 0.628 53 A CB -0.541 18.429 19.000 -0.049 0.000 0.814 53 A HN 0.497 nan 8.150 nan 0.000 0.444 54 G N -2.997 105.788 108.800 -0.024 0.000 2.698 54 G HA2 0.399 4.358 3.960 -0.001 0.000 0.225 54 G HA3 0.399 4.358 3.960 -0.001 0.000 0.225 54 G C 1.007 175.898 174.900 -0.014 0.000 1.345 54 G CA 0.202 45.292 45.100 -0.016 0.000 0.871 54 G HN 2.491 nan 8.290 nan 0.000 0.540 55 G N -2.677 106.121 108.800 -0.003 0.000 2.749 55 G HA2 0.174 4.133 3.960 -0.001 0.000 0.242 55 G HA3 0.174 4.133 3.960 -0.001 0.000 0.242 55 G C 0.226 175.143 174.900 0.029 0.000 1.364 55 G CA 0.426 45.535 45.100 0.015 0.000 0.888 55 G HN 2.043 nan 8.290 nan 0.000 0.566 56 V N 2.202 122.160 119.914 0.073 0.000 2.223 56 V HA 0.547 4.666 4.120 -0.001 0.000 0.249 56 V C 1.003 177.120 176.094 0.039 0.000 1.233 56 V CA 0.929 63.282 62.300 0.088 0.000 1.131 56 V CB -0.296 31.662 31.823 0.226 0.000 1.298 56 V HN 1.355 nan 8.190 nan 0.000 0.498 57 T N 2.215 116.760 114.554 -0.016 0.000 2.909 57 T HA 0.822 5.172 4.350 -0.001 0.000 0.299 57 T C -0.799 173.857 174.700 -0.072 0.000 1.073 57 T CA -0.401 61.672 62.100 -0.044 0.000 0.999 57 T CB 2.148 71.001 68.868 -0.025 0.000 1.098 57 T HN 0.677 nan 8.240 nan 0.000 0.477 58 V N 0.733 120.594 119.914 -0.088 0.000 3.159 58 V HA 0.716 4.835 4.120 -0.001 0.000 0.308 58 V C -0.210 175.839 176.094 -0.075 0.000 1.190 58 V CA -1.575 60.674 62.300 -0.084 0.000 1.037 58 V CB 1.914 33.678 31.823 -0.098 0.000 1.060 58 V HN 1.208 nan 8.190 nan 0.000 0.437 59 R N 2.383 122.841 120.500 -0.070 0.000 2.449 59 R HA 0.381 4.721 4.340 -0.001 0.000 0.296 59 R C -0.424 175.841 176.300 -0.058 0.000 1.047 59 R CA -0.167 55.887 56.100 -0.077 0.000 1.018 59 R CB 0.483 30.735 30.300 -0.080 0.000 0.962 59 R HN 0.956 nan 8.270 nan 0.000 0.428 60 M N 6.418 125.982 119.600 -0.060 0.000 2.182 60 M HA 0.172 4.651 4.480 -0.001 0.000 0.285 60 M C 0.409 176.687 176.300 -0.036 0.000 0.956 60 M CA 0.386 55.665 55.300 -0.034 0.000 0.878 60 M CB 0.735 33.321 32.600 -0.025 0.000 1.373 60 M HN 0.979 nan 8.290 nan 0.000 0.393 61 G N 3.913 112.701 108.800 -0.020 0.000 2.675 61 G HA2 -0.415 3.545 3.960 -0.001 0.000 0.312 61 G HA3 -0.415 3.545 3.960 -0.001 0.000 0.312 61 G C 0.184 174.981 174.900 -0.173 0.000 1.186 61 G CA 1.031 46.126 45.100 -0.009 0.000 0.965 61 G HN 0.681 nan 8.290 nan 0.000 0.548 62 D N 0.919 121.257 120.400 -0.103 0.000 2.077 62 D HA 0.360 5.000 4.640 -0.001 0.000 0.196 62 D C 1.807 178.016 176.300 -0.152 0.000 0.986 62 D CA 1.938 55.861 54.000 -0.128 0.000 0.829 62 D CB -0.271 40.504 40.800 -0.042 0.000 0.983 62 D HN 0.736 nan 8.370 nan 0.000 0.453 63 G N -0.435 108.312 108.800 -0.088 0.000 3.135 63 G HA2 0.623 4.582 3.960 -0.001 0.000 0.159 63 G HA3 0.623 4.582 3.960 -0.001 0.000 0.159 63 G C -1.064 173.794 174.900 -0.071 0.000 1.244 63 G CA -0.599 44.461 45.100 -0.067 0.000 0.965 63 G HN 0.120 nan 8.290 nan 0.000 0.599 64 L N -2.015 119.186 121.223 -0.037 0.000 2.354 64 L HA 0.896 5.236 4.340 -0.001 0.000 0.264 64 L C -0.276 176.593 176.870 -0.002 0.000 1.008 64 L CA -1.189 53.628 54.840 -0.039 0.000 0.819 64 L CB 1.011 43.035 42.059 -0.059 0.000 1.339 64 L HN 0.690 nan 8.230 nan 0.000 0.420 65 A N 1.176 123.987 122.820 -0.016 0.000 2.306 65 A HA 0.800 5.120 4.320 -0.001 0.000 0.330 65 A C -0.117 177.469 177.584 0.002 0.000 1.146 65 A CA -0.413 51.629 52.037 0.007 0.000 0.827 65 A CB 1.425 20.403 19.000 -0.036 0.000 1.178 65 A HN 0.908 nan 8.150 nan 0.000 0.490 66 S N -0.366 115.390 115.700 0.094 0.000 2.550 66 S HA 0.536 5.006 4.470 -0.001 0.000 0.270 66 S C -1.124 173.691 174.600 0.359 0.000 1.145 66 S CA -0.389 57.888 58.200 0.128 0.000 0.852 66 S CB 0.732 64.004 63.200 0.120 0.000 1.119 66 S HN 0.671 nan 8.310 nan 0.000 0.465 67 W N 2.153 123.572 121.300 0.198 0.000 3.220 67 W HA 0.423 5.083 4.660 -0.001 0.000 0.328 67 W C 0.264 176.929 176.519 0.242 0.000 1.205 67 W CA -0.565 56.922 57.345 0.236 0.000 1.773 67 W CB -0.402 29.151 29.460 0.154 0.000 1.086 67 W HN 0.521 nan 8.180 nan 0.000 0.622 68 S N 2.467 118.374 115.700 0.345 0.000 2.489 68 S HA 0.387 4.856 4.470 -0.001 0.000 0.291 68 S C -2.234 172.248 174.600 -0.196 0.000 1.151 68 S CA -1.127 57.145 58.200 0.121 0.000 1.082 68 S CB 1.847 65.076 63.200 0.049 0.000 1.019 68 S HN -0.180 nan 8.310 nan 0.000 0.492 69 P HA 0.172 nan 4.420 nan 0.000 0.269 69 P C -2.315 174.561 177.300 -0.706 0.000 1.215 69 P CA -1.262 61.377 63.100 -0.769 0.000 0.780 69 P CB 0.051 31.593 31.700 -0.263 0.000 0.898 70 P HA -0.195 nan 4.420 nan 0.000 0.217 70 P C 1.314 178.445 177.300 -0.281 0.000 1.148 70 P CA 1.593 64.399 63.100 -0.490 0.000 0.828 70 P CB 0.013 31.445 31.700 -0.446 0.000 0.783 71 E N -0.584 119.464 120.200 -0.253 0.000 2.058 71 E HA -0.164 4.186 4.350 -0.001 0.000 0.194 71 E C 1.947 178.480 176.600 -0.112 0.000 0.997 71 E CA 1.568 57.882 56.400 -0.144 0.000 0.801 71 E CB -1.427 28.209 29.700 -0.108 0.000 0.746 71 E HN 0.213 nan 8.360 nan 0.000 0.450 72 V N -0.970 118.875 119.914 -0.115 0.000 2.809 72 V HA -0.012 4.108 4.120 -0.001 0.000 0.256 72 V C 1.053 177.107 176.094 -0.068 0.000 1.080 72 V CA 0.580 62.835 62.300 -0.075 0.000 1.102 72 V CB -0.753 31.035 31.823 -0.058 0.000 0.705 72 V HN 0.027 nan 8.190 nan 0.000 0.475 73 L N 0.314 121.481 121.223 -0.093 0.000 2.466 73 L HA 0.350 4.689 4.340 -0.001 0.000 0.257 73 L C 0.124 176.968 176.870 -0.044 0.000 1.189 73 L CA -0.479 54.323 54.840 -0.064 0.000 0.813 73 L CB 1.058 43.068 42.059 -0.081 0.000 1.118 73 L HN -0.044 nan 8.230 nan 0.000 0.471 74 V N 3.175 123.087 119.914 -0.005 0.000 2.247 74 V HA 0.103 4.223 4.120 -0.001 0.000 0.262 74 V C 1.126 177.245 176.094 0.043 0.000 1.096 74 V CA -0.190 62.118 62.300 0.013 0.000 0.895 74 V CB 0.715 32.569 31.823 0.052 0.000 1.141 74 V HN 0.601 nan 8.190 nan 0.000 0.478 75 L N 2.538 123.740 121.223 -0.036 0.000 2.549 75 L HA 0.112 4.451 4.340 -0.001 0.000 0.230 75 L C 0.752 177.522 176.870 -0.167 0.000 1.162 75 L CA 1.180 55.976 54.840 -0.073 0.000 0.834 75 L CB -0.171 41.803 42.059 -0.142 0.000 0.947 75 L HN 0.600 nan 8.230 nan 0.000 0.452 76 E N -1.351 118.697 120.200 -0.252 0.000 2.335 76 E HA 0.610 4.959 4.350 -0.001 0.000 0.280 76 E C -0.379 175.828 176.600 -0.656 0.000 0.918 76 E CA -0.209 55.867 56.400 -0.541 0.000 0.765 76 E CB 2.428 31.927 29.700 -0.336 0.000 1.218 76 E HN 0.050 nan 8.360 nan 0.000 0.425 77 G N 0.699 108.811 108.800 -1.146 0.000 2.356 77 G HA2 0.442 4.402 3.960 -0.001 0.000 0.281 77 G HA3 0.442 4.402 3.960 -0.001 0.000 0.281 77 G C -1.020 173.692 174.900 -0.314 0.000 1.246 77 G CA 0.000 44.755 45.100 -0.576 0.000 0.889 77 G HN 0.553 nan 8.290 nan 0.000 0.486 78 T N -1.825 112.805 114.554 0.127 0.000 2.887 78 T HA 0.848 5.198 4.350 -0.001 0.000 0.292 78 T C -0.589 174.280 174.700 0.283 0.000 1.087 78 T CA -0.260 61.982 62.100 0.237 0.000 1.009 78 T CB 1.775 70.716 68.868 0.122 0.000 1.203 78 T HN 1.851 nan 8.240 nan 0.000 0.518 79 L N -1.503 119.861 121.223 0.236 0.000 2.612 79 L HA 0.922 5.262 4.340 -0.001 0.000 0.256 79 L C -1.035 175.945 176.870 0.183 0.000 0.949 79 L CA -1.592 53.341 54.840 0.155 0.000 0.867 79 L CB 1.413 43.514 42.059 0.069 0.000 1.417 79 L HN 1.016 nan 8.230 nan 0.000 0.414 80 A N 1.931 124.834 122.820 0.139 0.000 2.324 80 A HA 0.855 5.175 4.320 -0.001 0.000 0.330 80 A C -0.474 177.191 177.584 0.136 0.000 1.165 80 A CA -0.682 51.452 52.037 0.162 0.000 0.813 80 A CB 1.538 20.609 19.000 0.118 0.000 1.197 80 A HN 0.831 nan 8.150 nan 0.000 0.484 81 R N 2.426 123.035 120.500 0.182 0.000 2.415 81 R HA 0.420 4.759 4.340 -0.001 0.000 0.292 81 R C -0.124 176.253 176.300 0.128 0.000 1.295 81 R CA -0.525 55.649 56.100 0.123 0.000 1.137 81 R CB 0.131 30.483 30.300 0.086 0.000 1.135 81 R HN 0.860 nan 8.270 nan 0.000 0.560 82 M N 2.780 122.441 119.600 0.102 0.000 2.375 82 M HA -0.287 4.192 4.480 -0.001 0.000 0.197 82 M C 0.322 176.678 176.300 0.093 0.000 0.414 82 M CA 1.866 57.225 55.300 0.098 0.000 0.442 82 M CB -1.120 31.536 32.600 0.094 0.000 1.527 82 M HN 0.955 nan 8.290 nan 0.000 0.864 83 G N -1.712 107.146 108.800 0.097 0.000 4.241 83 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.193 83 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.193 83 G C -0.196 174.751 174.900 0.079 0.000 1.789 83 G CA -0.028 45.117 45.100 0.076 0.000 1.025 83 G HN 0.601 nan 8.290 nan 0.000 0.346 84 Q N 1.807 121.674 119.800 0.111 0.000 2.286 84 Q HA 0.553 4.892 4.340 -0.001 0.000 0.257 84 Q C -0.065 176.005 176.000 0.117 0.000 0.941 84 Q CA 0.228 56.065 55.803 0.057 0.000 0.912 84 Q CB 1.023 29.751 28.738 -0.016 0.000 1.192 84 Q HN 0.322 nan 8.270 nan 0.000 0.410 85 T N 3.371 117.928 114.554 0.005 0.000 2.817 85 T HA 0.389 4.738 4.350 -0.001 0.000 0.293 85 T C -1.283 173.402 174.700 -0.025 0.000 0.964 85 T CA -0.094 62.050 62.100 0.074 0.000 1.085 85 T CB 0.223 69.113 68.868 0.037 0.000 0.921 85 T HN 0.451 nan 8.240 nan 0.000 0.502 86 Y N 1.747 122.085 120.300 0.064 0.000 2.524 86 Y HA 0.671 5.220 4.550 -0.001 0.000 0.344 86 Y C 0.311 176.275 175.900 0.107 0.000 1.012 86 Y CA -1.127 57.020 58.100 0.077 0.000 1.068 86 Y CB 2.123 40.632 38.460 0.081 0.000 1.249 86 Y HN 0.860 nan 8.280 nan 0.000 0.468 87 A N 2.312 125.283 122.820 0.251 0.000 2.342 87 A HA 0.779 5.099 4.320 -0.001 0.000 0.323 87 A C -1.742 175.965 177.584 0.205 0.000 1.125 87 A CA -0.604 51.526 52.037 0.154 0.000 0.785 87 A CB 0.397 19.427 19.000 0.050 0.000 1.221 87 A HN 0.715 nan 8.150 nan 0.000 0.463 88 Y N -0.181 120.151 120.300 0.052 0.000 2.605 88 Y HA 0.892 5.441 4.550 -0.001 0.000 0.343 88 Y C -0.484 175.407 175.900 -0.014 0.000 1.036 88 Y CA -1.502 56.617 58.100 0.031 0.000 1.065 88 Y CB 1.503 39.969 38.460 0.010 0.000 1.288 88 Y HN 0.619 nan 8.280 nan 0.000 0.481 89 R N 2.317 122.840 120.500 0.038 0.000 2.515 89 R HA 0.529 4.868 4.340 -0.001 0.000 0.278 89 R C -1.836 174.341 176.300 -0.206 0.000 1.107 89 R CA -0.710 55.275 56.100 -0.193 0.000 0.945 89 R CB 2.142 32.338 30.300 -0.173 0.000 1.219 89 R HN 0.711 nan 8.270 nan 0.000 0.434 90 L N 3.170 124.215 121.223 -0.297 0.000 2.322 90 L HA 0.553 4.892 4.340 -0.001 0.000 0.279 90 L C -0.903 175.659 176.870 -0.513 0.000 1.036 90 L CA -0.866 53.845 54.840 -0.215 0.000 0.807 90 L CB 0.874 42.907 42.059 -0.042 0.000 1.226 90 L HN 0.535 nan 8.230 nan 0.000 0.433 91 Y N 1.818 122.145 120.300 0.046 0.000 2.329 91 Y HA 0.324 4.874 4.550 -0.001 0.000 0.328 91 Y C -2.247 173.686 175.900 0.056 0.000 0.992 91 Y CA -2.597 55.527 58.100 0.040 0.000 1.151 91 Y CB 1.475 39.957 38.460 0.037 0.000 1.150 91 Y HN 0.393 nan 8.280 nan 0.000 0.450 92 P HA 0.132 nan 4.420 nan 0.000 0.264 92 P C 0.218 177.643 177.300 0.209 0.000 1.229 92 P CA 0.113 63.322 63.100 0.182 0.000 0.780 92 P CB 0.423 32.211 31.700 0.145 0.000 0.808 93 K N 2.849 123.367 120.400 0.196 0.000 2.681 93 K HA 0.486 4.805 4.320 -0.001 0.000 0.211 93 K C 0.873 177.556 176.600 0.138 0.000 1.075 93 K CA 0.038 56.413 56.287 0.148 0.000 1.141 93 K CB -0.703 31.865 32.500 0.113 0.000 0.896 93 K HN 0.814 nan 8.250 nan 0.000 0.470 94 G N 1.631 110.549 108.800 0.196 0.000 3.087 94 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.680 94 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.680 94 G C -0.232 174.691 174.900 0.038 0.000 1.626 94 G CA -0.172 45.005 45.100 0.128 0.000 1.157 94 G HN 1.003 nan 8.290 nan 0.000 0.599 95 R N 0.774 121.211 120.500 -0.104 0.000 2.347 95 R HA 0.703 5.043 4.340 -0.001 0.000 0.304 95 R C 0.858 177.110 176.300 -0.080 0.000 1.072 95 R CA 0.165 56.188 56.100 -0.128 0.000 0.980 95 R CB 0.268 30.385 30.300 -0.305 0.000 0.986 95 R HN 1.008 nan 8.270 nan 0.000 0.448 96 R N 3.238 123.716 120.500 -0.037 0.000 2.583 96 R HA 0.770 5.109 4.340 -0.001 0.000 0.212 96 R C -2.270 174.013 176.300 -0.028 0.000 1.350 96 R CA -0.523 55.562 56.100 -0.025 0.000 0.985 96 R CB -0.814 29.483 30.300 -0.005 0.000 2.068 96 R HN 0.708 nan 8.270 nan 0.000 0.516 97 P HA 0.686 nan 4.420 nan 0.000 0.319 97 P C -1.844 175.458 177.300 0.004 0.000 1.523 97 P CA -0.480 62.614 63.100 -0.010 0.000 1.207 97 P CB 1.650 33.341 31.700 -0.015 0.000 1.493 98 L N 2.328 123.560 121.223 0.015 0.000 2.287 98 L HA 0.463 4.802 4.340 -0.001 0.000 0.287 98 L C -0.050 176.831 176.870 0.018 0.000 1.022 98 L CA -0.396 54.458 54.840 0.022 0.000 0.814 98 L CB 1.777 43.859 42.059 0.039 0.000 1.217 98 L HN 0.404 nan 8.230 nan 0.000 0.420 99 D N 5.414 125.822 120.400 0.014 0.000 2.347 99 D HA 0.326 4.965 4.640 -0.001 0.000 0.235 99 D C -1.845 174.464 176.300 0.015 0.000 1.149 99 D CA -1.880 52.126 54.000 0.011 0.000 0.850 99 D CB 1.774 42.579 40.800 0.007 0.000 1.061 99 D HN 0.240 nan 8.370 nan 0.000 0.487 100 P HA -0.147 nan 4.420 nan 0.000 0.219 100 P C 1.042 178.357 177.300 0.024 0.000 1.146 100 P CA 0.870 63.982 63.100 0.021 0.000 0.808 100 P CB 0.276 31.981 31.700 0.008 0.000 0.779 101 K N -0.671 119.739 120.400 0.016 0.000 2.217 101 K HA -0.053 4.266 4.320 -0.001 0.000 0.202 101 K C 0.657 177.267 176.600 0.017 0.000 1.051 101 K CA 0.715 57.011 56.287 0.016 0.000 0.952 101 K CB -0.800 31.706 32.500 0.010 0.000 0.736 101 K HN 0.229 nan 8.250 nan 0.000 0.453 102 D N 1.189 121.598 120.400 0.016 0.000 2.312 102 D HA 0.028 4.667 4.640 -0.001 0.000 0.252 102 D C -1.700 174.611 176.300 0.018 0.000 1.150 102 D CA -2.117 51.891 54.000 0.014 0.000 0.870 102 D CB 1.705 42.513 40.800 0.013 0.000 1.153 102 D HN -0.103 nan 8.370 nan 0.000 0.457 103 P HA -0.045 nan 4.420 nan 0.000 0.217 103 P C 1.248 178.556 177.300 0.013 0.000 1.150 103 P CA 0.991 64.099 63.100 0.014 0.000 0.832 103 P CB 0.161 31.866 31.700 0.008 0.000 0.787 104 G N -0.040 108.767 108.800 0.012 0.000 2.430 104 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.216 104 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.216 104 G C 1.506 176.415 174.900 0.015 0.000 1.146 104 G CA 0.316 45.423 45.100 0.013 0.000 0.793 104 G HN 0.173 nan 8.290 nan 0.000 0.537 105 E N 0.460 120.670 120.200 0.017 0.000 2.072 105 E HA -0.062 4.288 4.350 -0.001 0.000 0.190 105 E C 2.375 178.989 176.600 0.023 0.000 0.982 105 E CA 0.440 56.851 56.400 0.018 0.000 0.803 105 E CB -0.304 29.407 29.700 0.018 0.000 0.755 105 E HN 0.472 nan 8.360 nan 0.000 0.453 106 R N 0.876 121.394 120.500 0.031 0.000 2.152 106 R HA -0.075 4.265 4.340 -0.001 0.000 0.232 106 R C 2.361 178.690 176.300 0.048 0.000 1.117 106 R CA 1.279 57.407 56.100 0.048 0.000 0.981 106 R CB -0.086 30.250 30.300 0.059 0.000 0.870 106 R HN 0.001 nan 8.270 nan 0.000 0.451 107 S N -0.102 115.615 115.700 0.028 0.000 2.348 107 S HA -0.123 4.346 4.470 -0.001 0.000 0.221 107 S C 2.160 176.764 174.600 0.007 0.000 1.033 107 S CA 1.519 59.729 58.200 0.018 0.000 1.010 107 S CB -0.279 62.926 63.200 0.009 0.000 0.891 107 S HN 0.397 nan 8.310 nan 0.000 0.442 108 V N 1.425 121.336 119.914 -0.005 0.000 2.759 108 V HA 0.089 4.208 4.120 -0.001 0.000 0.256 108 V C 2.312 178.359 176.094 -0.078 0.000 1.080 108 V CA 1.716 63.993 62.300 -0.039 0.000 1.101 108 V CB -0.580 31.223 31.823 -0.033 0.000 0.698 108 V HN 0.459 nan 8.190 nan 0.000 0.477 109 L N -0.582 120.624 121.223 -0.028 0.000 2.044 109 L HA -0.130 4.209 4.340 -0.001 0.000 0.205 109 L C 2.860 179.726 176.870 -0.006 0.000 1.075 109 L CA 1.652 56.479 54.840 -0.023 0.000 0.747 109 L CB -0.328 41.770 42.059 0.066 0.000 0.903 109 L HN 0.397 nan 8.230 nan 0.000 0.435 110 S N -0.363 115.382 115.700 0.074 0.000 2.419 110 S HA -0.125 4.344 4.470 -0.001 0.000 0.233 110 S C 2.064 176.714 174.600 0.083 0.000 1.016 110 S CA 1.013 59.310 58.200 0.162 0.000 0.974 110 S CB -0.116 63.212 63.200 0.214 0.000 0.786 110 S HN 0.483 nan 8.310 nan 0.000 0.492 111 A N 1.441 124.254 122.820 -0.012 0.000 1.873 111 A HA 0.014 4.334 4.320 -0.001 0.000 0.215 111 A C 2.026 179.534 177.584 -0.126 0.000 1.186 111 A CA 1.078 53.086 52.037 -0.049 0.000 0.616 111 A CB -0.665 18.294 19.000 -0.068 0.000 0.823 111 A HN 0.470 nan 8.150 nan 0.000 0.442 112 L N -0.613 120.424 121.223 -0.311 0.000 2.131 112 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 112 L C 3.051 179.734 176.870 -0.312 0.000 1.092 112 L CA 0.902 55.386 54.840 -0.593 0.000 0.759 112 L CB -0.601 40.529 42.059 -1.548 0.000 0.903 112 L HN 0.433 nan 8.230 nan 0.000 0.435 113 A N 0.195 122.992 122.820 -0.037 0.000 1.883 113 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 113 A C 2.464 180.152 177.584 0.173 0.000 1.186 113 A CA 1.627 53.865 52.037 0.335 0.000 0.624 113 A CB -0.471 18.822 19.000 0.487 0.000 0.822 113 A HN 0.304 nan 8.150 nan 0.000 0.444 114 R N -1.481 119.086 120.500 0.112 0.000 2.066 114 R HA -0.038 4.302 4.340 -0.001 0.000 0.232 114 R C 2.378 178.704 176.300 0.042 0.000 1.131 114 R CA 0.943 57.092 56.100 0.081 0.000 0.955 114 R CB -0.300 30.044 30.300 0.074 0.000 0.851 114 R HN 0.269 nan 8.270 nan 0.000 0.432 115 R N 1.092 121.600 120.500 0.012 0.000 2.139 115 R HA -0.121 4.219 4.340 -0.001 0.000 0.243 115 R C 2.087 178.409 176.300 0.038 0.000 1.145 115 R CA 0.882 56.984 56.100 0.004 0.000 0.976 115 R CB -0.782 29.498 30.300 -0.033 0.000 0.866 115 R HN 0.268 nan 8.270 nan 0.000 0.449 116 L N 0.558 121.831 121.223 0.084 0.000 2.109 116 L HA -0.121 4.219 4.340 -0.001 0.000 0.207 116 L C 1.981 178.869 176.870 0.029 0.000 1.086 116 L CA 1.299 56.210 54.840 0.118 0.000 0.760 116 L CB -0.577 41.641 42.059 0.264 0.000 0.910 116 L HN 0.144 nan 8.230 nan 0.000 0.437 117 L N 0.231 121.460 121.223 0.010 0.000 2.072 117 L HA -0.197 4.142 4.340 -0.001 0.000 0.205 117 L C 2.602 179.461 176.870 -0.019 0.000 1.079 117 L CA 1.623 56.446 54.840 -0.028 0.000 0.752 117 L CB -0.533 41.517 42.059 -0.016 0.000 0.906 117 L HN 0.300 nan 8.230 nan 0.000 0.436 118 Q N -0.503 119.297 119.800 0.001 0.000 2.029 118 Q HA -0.273 4.066 4.340 -0.001 0.000 0.209 118 Q C 2.178 178.172 176.000 -0.010 0.000 0.999 118 Q CA 2.396 58.198 55.803 -0.002 0.000 0.857 118 Q CB -0.162 28.578 28.738 0.003 0.000 0.926 118 Q HN 0.549 nan 8.270 nan 0.000 0.415 119 E N -0.310 119.887 120.200 -0.005 0.000 2.118 119 E HA -0.207 4.143 4.350 -0.001 0.000 0.195 119 E C 2.114 178.699 176.600 -0.024 0.000 0.992 119 E CA 0.735 57.130 56.400 -0.008 0.000 0.804 119 E CB 0.000 29.705 29.700 0.008 0.000 0.741 119 E HN 0.232 nan 8.360 nan 0.000 0.458 120 R N 0.477 120.955 120.500 -0.037 0.000 2.073 120 R HA -0.077 4.263 4.340 -0.001 0.000 0.234 120 R C 2.547 178.806 176.300 -0.069 0.000 1.134 120 R CA 0.716 56.775 56.100 -0.068 0.000 0.952 120 R CB -0.813 29.425 30.300 -0.103 0.000 0.850 120 R HN 0.247 nan 8.270 nan 0.000 0.433 121 L N 0.128 121.320 121.223 -0.052 0.000 2.027 121 L HA -0.117 4.223 4.340 -0.001 0.000 0.206 121 L C 2.496 179.356 176.870 -0.017 0.000 1.074 121 L CA 1.297 56.119 54.840 -0.029 0.000 0.745 121 L CB -0.397 41.657 42.059 -0.009 0.000 0.898 121 L HN 0.100 nan 8.230 nan 0.000 0.433 122 R N 0.325 120.811 120.500 -0.023 0.000 2.293 122 R HA -0.147 4.192 4.340 -0.001 0.000 0.219 122 R C 2.006 178.290 176.300 -0.026 0.000 1.091 122 R CA 0.976 57.059 56.100 -0.028 0.000 1.004 122 R CB -0.179 30.103 30.300 -0.030 0.000 0.865 122 R HN 0.532 nan 8.270 nan 0.000 0.469 123 R N -0.392 120.093 120.500 -0.024 0.000 2.334 123 R HA 0.173 4.513 4.340 -0.001 0.000 0.212 123 R C 0.448 176.742 176.300 -0.011 0.000 0.897 123 R CA -0.150 55.937 56.100 -0.021 0.000 1.056 123 R CB 0.078 30.362 30.300 -0.027 0.000 1.046 123 R HN 0.001 nan 8.270 nan 0.000 0.513 124 L N 2.064 123.285 121.223 -0.002 0.000 2.473 124 L HA 0.227 4.567 4.340 -0.001 0.000 0.268 124 L C 0.609 177.510 176.870 0.051 0.000 1.215 124 L CA 0.494 55.355 54.840 0.034 0.000 0.823 124 L CB 0.444 42.555 42.059 0.087 0.000 1.099 124 L HN 0.404 nan 8.230 nan 0.000 0.483 125 E N 0.155 120.400 120.200 0.075 0.000 2.221 125 E HA 0.506 4.855 4.350 -0.001 0.000 0.268 125 E C 0.631 177.286 176.600 0.091 0.000 0.933 125 E CA -0.407 56.032 56.400 0.065 0.000 0.809 125 E CB 1.607 31.337 29.700 0.049 0.000 1.190 125 E HN 0.934 nan 8.360 nan 0.000 0.406 126 G N -0.376 108.469 108.800 0.076 0.000 2.273 126 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.280 126 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.280 126 G C 0.227 175.196 174.900 0.115 0.000 1.047 126 G CA 0.533 45.687 45.100 0.089 0.000 0.869 126 G HN 1.381 nan 8.290 nan 0.000 0.502 127 V N -0.746 119.244 119.914 0.128 0.000 2.962 127 V HA 0.680 4.799 4.120 -0.001 0.000 0.313 127 V C -0.053 176.158 176.094 0.195 0.000 1.099 127 V CA -1.361 61.040 62.300 0.168 0.000 0.971 127 V CB 2.172 34.106 31.823 0.185 0.000 1.028 127 V HN 0.355 nan 8.190 nan 0.000 0.430 128 W N 3.968 125.342 121.300 0.124 0.000 2.316 128 W HA 0.593 5.253 4.660 -0.001 0.000 0.339 128 W C -1.289 175.346 176.519 0.194 0.000 1.002 128 W CA -0.500 56.931 57.345 0.144 0.000 1.465 128 W CB 1.258 30.808 29.460 0.151 0.000 1.300 128 W HN 0.399 nan 8.180 nan 0.000 0.378 129 V N 6.233 126.081 119.914 -0.109 0.000 2.406 129 V HA 0.200 4.320 4.120 -0.001 0.000 0.272 129 V C -0.111 175.955 176.094 -0.047 0.000 1.043 129 V CA -0.124 62.172 62.300 -0.005 0.000 0.915 129 V CB 1.426 33.231 31.823 -0.029 0.000 0.988 129 V HN 0.323 nan 8.190 nan 0.000 0.466 130 E N 3.814 124.105 120.200 0.151 0.000 2.402 130 E HA 0.532 4.882 4.350 -0.001 0.000 0.244 130 E C 0.554 177.233 176.600 0.132 0.000 0.945 130 E CA 0.197 56.691 56.400 0.156 0.000 0.774 130 E CB 1.615 31.510 29.700 0.326 0.000 1.296 130 E HN 0.973 nan 8.360 nan 0.000 0.414 131 G N 2.065 110.902 108.800 0.060 0.000 2.528 131 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.262 131 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.262 131 G C 0.393 175.322 174.900 0.048 0.000 1.200 131 G CA -0.256 44.874 45.100 0.049 0.000 0.951 131 G HN 0.484 nan 8.290 nan 0.000 0.566 132 L N 1.747 123.000 121.223 0.050 0.000 2.682 132 L HA 0.511 4.850 4.340 -0.001 0.000 0.240 132 L C 1.473 178.361 176.870 0.031 0.000 1.178 132 L CA 0.533 55.399 54.840 0.042 0.000 0.970 132 L CB -0.850 41.240 42.059 0.052 0.000 1.179 132 L HN 0.819 nan 8.230 nan 0.000 0.435 133 A N -0.136 122.707 122.820 0.039 0.000 2.320 133 A HA 0.756 5.076 4.320 -0.001 0.000 0.334 133 A C -0.677 176.842 177.584 -0.110 0.000 1.147 133 A CA -0.382 51.621 52.037 -0.057 0.000 0.820 133 A CB 1.808 20.838 19.000 0.050 0.000 1.218 133 A HN -0.069 nan 8.150 nan 0.000 0.482 134 V N 1.968 121.667 119.914 -0.358 0.000 2.569 134 V HA 0.390 4.509 4.120 -0.001 0.000 0.301 134 V C -1.745 174.084 176.094 -0.442 0.000 1.044 134 V CA -0.269 61.912 62.300 -0.197 0.000 0.874 134 V CB 1.241 33.079 31.823 0.025 0.000 1.002 134 V HN 0.788 nan 8.190 nan 0.000 0.424 135 Y N 4.643 125.042 120.300 0.165 0.000 2.364 135 Y HA 0.661 5.210 4.550 -0.001 0.000 0.340 135 Y C 0.953 176.916 175.900 0.105 0.000 0.975 135 Y CA -0.939 57.235 58.100 0.124 0.000 1.089 135 Y CB 1.781 40.330 38.460 0.149 0.000 1.192 135 Y HN 0.656 nan 8.280 nan 0.000 0.454 136 R N 0.839 121.413 120.500 0.123 0.000 2.582 136 R HA 0.528 4.867 4.340 -0.001 0.000 0.453 136 R C -0.618 175.692 176.300 0.016 0.000 0.969 136 R CA -0.625 55.490 56.100 0.026 0.000 1.113 136 R CB 0.663 30.855 30.300 -0.180 0.000 1.507 136 R HN 0.581 nan 8.270 nan 0.000 0.587 137 R N 0.788 121.338 120.500 0.084 0.000 2.604 137 R HA 0.147 4.486 4.340 -0.001 0.000 0.261 137 R C -1.691 174.679 176.300 0.118 0.000 1.080 137 R CA -0.624 55.522 56.100 0.078 0.000 0.917 137 R CB 2.417 32.761 30.300 0.073 0.000 1.252 137 R HN 0.234 nan 8.270 nan 0.000 0.456 138 E N 2.510 122.759 120.200 0.081 0.000 2.259 138 E HA 0.058 4.408 4.350 -0.001 0.000 0.281 138 E C -0.326 176.339 176.600 0.108 0.000 1.027 138 E CA -0.092 56.353 56.400 0.076 0.000 0.838 138 E CB 0.768 30.480 29.700 0.021 0.000 1.066 138 E HN 0.663 nan 8.360 nan 0.000 0.401 139 H N 3.011 122.086 119.070 0.008 0.000 2.695 139 H HA 0.388 4.944 4.556 -0.001 0.000 0.267 139 H C -0.749 174.546 175.328 -0.056 0.000 0.973 139 H CA 0.900 56.924 56.048 -0.039 0.000 1.223 139 H CB 1.076 30.749 29.762 -0.149 0.000 1.442 139 H HN 0.528 nan 8.280 nan 0.000 0.478 140 A N 0.902 123.749 122.820 0.043 0.000 2.605 140 A HA 0.576 4.896 4.320 -0.001 0.000 0.294 140 A C -1.098 176.561 177.584 0.124 0.000 1.062 140 A CA -0.856 51.218 52.037 0.062 0.000 0.682 140 A CB 1.647 20.746 19.000 0.165 0.000 1.278 140 A HN 0.404 nan 8.150 nan 0.000 0.410 141 R N 0.661 121.086 120.500 -0.124 0.000 2.740 141 R HA 0.857 5.196 4.340 -0.001 0.000 0.273 141 R C -0.127 175.417 176.300 -1.260 0.000 0.998 141 R CA -0.389 55.356 56.100 -0.592 0.000 0.900 141 R CB 1.888 31.975 30.300 -0.354 0.000 1.223 141 R HN 1.548 nan 8.270 nan 0.000 0.466 142 G N 1.040 108.518 108.800 -2.204 0.000 2.694 142 G HA2 0.502 4.461 3.960 -0.001 0.000 0.290 142 G HA3 0.502 4.461 3.960 -0.001 0.000 0.290 142 G C -2.480 171.750 174.900 -1.117 0.000 1.386 142 G CA -1.867 42.184 45.100 -1.748 0.000 0.872 142 G HN 0.341 nan 8.290 nan 0.000 0.475 143 P HA -0.226 nan 4.420 nan 0.000 0.215 143 P C 1.709 178.950 177.300 -0.098 0.000 0.896 143 P CA 2.751 65.741 63.100 -0.184 0.000 1.030 143 P CB 0.172 31.870 31.700 -0.003 0.000 0.731 144 G N -2.848 106.041 108.800 0.149 0.000 3.448 144 G HA2 0.184 4.144 3.960 -0.001 0.000 0.261 144 G HA3 0.184 4.144 3.960 -0.001 0.000 0.261 144 G C -0.144 174.911 174.900 0.259 0.000 1.173 144 G CA -0.410 44.866 45.100 0.293 0.000 0.835 144 G HN 0.369 nan 8.290 nan 0.000 0.534 145 W N 0.047 121.387 121.300 0.068 0.000 3.098 145 W HA 0.798 5.457 4.660 -0.001 0.000 0.367 145 W C -0.920 175.560 176.519 -0.065 0.000 1.163 145 W CA -1.317 56.000 57.345 -0.047 0.000 1.113 145 W CB 0.796 30.219 29.460 -0.061 0.000 1.501 145 W HN 0.156 nan 8.180 nan 0.000 0.598 146 R N 0.006 120.809 120.500 0.506 0.000 2.725 146 R HA 0.493 4.832 4.340 -0.001 0.000 0.254 146 R C -2.527 173.928 176.300 0.259 0.000 1.076 146 R CA -0.775 55.528 56.100 0.338 0.000 0.940 146 R CB 1.182 31.485 30.300 0.005 0.000 1.260 146 R HN 0.265 nan 8.270 nan 0.000 0.466 147 V N 4.007 124.070 119.914 0.249 0.000 2.394 147 V HA 0.463 4.583 4.120 -0.001 0.000 0.282 147 V C 0.151 176.276 176.094 0.052 0.000 1.031 147 V CA -0.688 61.651 62.300 0.065 0.000 0.881 147 V CB 1.324 33.165 31.823 0.030 0.000 0.982 147 V HN 0.563 nan 8.190 nan 0.000 0.451 148 L N 3.427 124.651 121.223 0.001 0.000 2.334 148 L HA 0.873 5.212 4.340 -0.001 0.000 0.272 148 L C 0.595 177.665 176.870 0.333 0.000 1.020 148 L CA -0.414 54.487 54.840 0.103 0.000 0.812 148 L CB 2.060 44.115 42.059 -0.007 0.000 1.264 148 L HN 0.777 nan 8.230 nan 0.000 0.439 149 G N -0.235 108.802 108.800 0.394 0.000 2.495 149 G HA2 0.696 4.655 3.960 -0.001 0.000 0.318 149 G HA3 0.696 4.655 3.960 -0.001 0.000 0.318 149 G C -0.522 174.509 174.900 0.218 0.000 1.257 149 G CA 0.067 45.405 45.100 0.396 0.000 0.962 149 G HN 0.852 nan 8.290 nan 0.000 0.483 150 G N -0.429 108.405 108.800 0.057 0.000 2.704 150 G HA2 0.814 4.774 3.960 -0.001 0.000 0.118 150 G HA3 0.814 4.774 3.960 -0.001 0.000 0.118 150 G C -1.026 173.741 174.900 -0.222 0.000 1.197 150 G CA 0.536 45.546 45.100 -0.150 0.000 1.152 150 G HN 1.880 nan 8.290 nan 0.000 0.571 151 A N -1.446 121.182 122.820 -0.321 0.000 2.612 151 A HA 0.681 5.001 4.320 -0.001 0.000 0.293 151 A C -1.613 175.850 177.584 -0.200 0.000 1.075 151 A CA -0.340 51.578 52.037 -0.199 0.000 0.680 151 A CB 1.477 20.425 19.000 -0.087 0.000 1.279 151 A HN 1.403 nan 8.150 nan 0.000 0.411 152 V N 2.503 122.370 119.914 -0.079 0.000 2.348 152 V HA 0.354 4.473 4.120 -0.001 0.000 0.270 152 V C 0.089 176.202 176.094 0.031 0.000 1.037 152 V CA 0.078 62.366 62.300 -0.020 0.000 0.872 152 V CB 0.232 32.072 31.823 0.029 0.000 1.002 152 V HN 0.672 nan 8.190 nan 0.000 0.464 153 L N 3.944 125.187 121.223 0.032 0.000 2.472 153 L HA 0.798 5.138 4.340 -0.001 0.000 0.256 153 L C -0.274 176.663 176.870 0.112 0.000 1.111 153 L CA -0.512 54.370 54.840 0.070 0.000 0.800 153 L CB 1.031 43.115 42.059 0.042 0.000 1.286 153 L HN 0.525 nan 8.230 nan 0.000 0.479 154 D N 0.387 120.876 120.400 0.149 0.000 2.738 154 D HA 0.320 4.959 4.640 -0.001 0.000 0.229 154 D C -2.095 174.350 176.300 0.243 0.000 1.200 154 D CA -0.409 53.727 54.000 0.227 0.000 0.746 154 D CB 1.586 42.581 40.800 0.325 0.000 1.597 154 D HN 0.313 nan 8.370 nan 0.000 0.471 155 L N 4.354 125.726 121.223 0.249 0.000 2.439 155 L HA 0.699 5.039 4.340 -0.001 0.000 0.270 155 L C -1.410 175.666 176.870 0.342 0.000 0.972 155 L CA -0.429 54.501 54.840 0.151 0.000 0.836 155 L CB 1.278 43.351 42.059 0.022 0.000 1.255 155 L HN 0.716 nan 8.230 nan 0.000 0.404 156 W N 5.127 126.543 121.300 0.194 0.000 3.698 156 W HA 0.810 5.469 4.660 -0.001 0.000 0.348 156 W C -1.773 174.890 176.519 0.241 0.000 1.157 156 W CA -0.862 56.597 57.345 0.190 0.000 0.951 156 W CB 0.578 30.103 29.460 0.108 0.000 1.671 156 W HN 0.115 nan 8.180 nan 0.000 0.615 157 V N 2.555 122.740 119.914 0.451 0.000 2.588 157 V HA 0.442 4.561 4.120 -0.001 0.000 0.304 157 V C 0.357 176.613 176.094 0.270 0.000 1.042 157 V CA -0.749 61.669 62.300 0.198 0.000 0.877 157 V CB 0.815 32.701 31.823 0.106 0.000 0.996 157 V HN 0.730 nan 8.190 nan 0.000 0.425 158 S N 1.728 117.494 115.700 0.110 0.000 2.617 158 S HA 0.175 4.644 4.470 -0.001 0.000 0.259 158 S C 0.620 175.275 174.600 0.092 0.000 1.301 158 S CA -0.037 58.244 58.200 0.135 0.000 0.984 158 S CB 0.929 64.162 63.200 0.055 0.000 0.954 158 S HN 0.759 nan 8.310 nan 0.000 0.572 159 D N -0.183 120.268 120.400 0.085 0.000 2.347 159 D HA 0.043 4.682 4.640 -0.001 0.000 0.213 159 D C 1.549 177.865 176.300 0.027 0.000 0.985 159 D CA 0.884 54.916 54.000 0.054 0.000 0.879 159 D CB -0.093 40.739 40.800 0.053 0.000 0.919 159 D HN 0.590 nan 8.370 nan 0.000 0.526 160 S N -1.531 114.182 115.700 0.020 0.000 2.634 160 S HA 0.300 4.769 4.470 -0.001 0.000 0.221 160 S C 1.691 176.279 174.600 -0.020 0.000 0.952 160 S CA 0.180 58.381 58.200 0.002 0.000 0.930 160 S CB 0.196 63.399 63.200 0.004 0.000 0.780 160 S HN 0.246 nan 8.310 nan 0.000 0.498 161 G N 0.443 109.226 108.800 -0.029 0.000 2.153 161 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.252 161 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.252 161 G C 0.251 175.071 174.900 -0.133 0.000 0.994 161 G CA 0.158 45.216 45.100 -0.070 0.000 0.698 161 G HN 1.233 nan 8.290 nan 0.000 0.521 162 A N -1.119 121.631 122.820 -0.118 0.000 2.312 162 A HA 0.927 5.246 4.320 -0.001 0.000 0.310 162 A C -0.050 177.427 177.584 -0.177 0.000 1.139 162 A CA -0.808 51.143 52.037 -0.142 0.000 0.886 162 A CB 1.003 19.976 19.000 -0.046 0.000 1.350 162 A HN 0.453 nan 8.150 nan 0.000 0.479 163 F N -0.928 118.991 119.950 -0.051 0.000 2.362 163 F HA 0.622 5.148 4.527 -0.001 0.000 0.311 163 F C 0.251 175.923 175.800 -0.214 0.000 1.161 163 F CA -0.126 57.816 58.000 -0.097 0.000 1.085 163 F CB 0.915 39.876 39.000 -0.064 0.000 1.311 163 F HN 0.194 nan 8.300 nan 0.000 0.524 164 L N 2.755 123.916 121.223 -0.102 0.000 2.661 164 L HA 0.274 4.613 4.340 -0.001 0.000 0.263 164 L C -1.325 175.211 176.870 -0.557 0.000 0.956 164 L CA -0.293 54.268 54.840 -0.465 0.000 0.918 164 L CB 1.712 43.191 42.059 -0.968 0.000 1.280 164 L HN 0.455 nan 8.230 nan 0.000 0.416 165 L N 3.331 124.410 121.223 -0.240 0.000 2.334 165 L HA 0.471 4.811 4.340 -0.001 0.000 0.277 165 L C -0.139 176.730 176.870 -0.001 0.000 1.075 165 L CA -0.030 54.751 54.840 -0.099 0.000 0.804 165 L CB 1.813 43.876 42.059 0.007 0.000 1.174 165 L HN 0.652 nan 8.230 nan 0.000 0.438 166 E N 2.996 123.262 120.200 0.111 0.000 2.234 166 E HA 0.540 4.889 4.350 -0.001 0.000 0.266 166 E C -1.911 174.835 176.600 0.243 0.000 0.877 166 E CA -0.629 55.925 56.400 0.257 0.000 0.758 166 E CB 2.437 32.416 29.700 0.466 0.000 1.170 166 E HN 0.334 nan 8.360 nan 0.000 0.415 167 V N 3.510 123.592 119.914 0.280 0.000 2.686 167 V HA 0.404 4.524 4.120 -0.001 0.000 0.306 167 V C -1.160 175.050 176.094 0.193 0.000 1.065 167 V CA -0.796 61.630 62.300 0.210 0.000 0.894 167 V CB 2.089 34.032 31.823 0.200 0.000 1.004 167 V HN 0.712 nan 8.190 nan 0.000 0.424 168 D N 4.587 125.057 120.400 0.116 0.000 2.764 168 D HA 0.460 5.099 4.640 -0.001 0.000 0.227 168 D C -2.973 173.340 176.300 0.022 0.000 1.347 168 D CA -1.385 52.673 54.000 0.097 0.000 0.953 168 D CB 3.212 44.071 40.800 0.098 0.000 1.476 168 D HN 0.195 nan 8.370 nan 0.000 0.585 169 P HA 0.346 nan 4.420 nan 0.000 0.263 169 P C -1.215 175.986 177.300 -0.165 0.000 1.175 169 P CA 0.165 63.202 63.100 -0.105 0.000 0.761 169 P CB 0.799 32.440 31.700 -0.099 0.000 0.794 170 A N 2.726 125.402 122.820 -0.241 0.000 2.599 170 A HA 0.681 5.000 4.320 -0.001 0.000 0.290 170 A C -1.930 175.511 177.584 -0.238 0.000 1.101 170 A CA -0.390 51.524 52.037 -0.204 0.000 0.674 170 A CB 0.927 19.945 19.000 0.030 0.000 1.277 170 A HN 0.316 nan 8.150 nan 0.000 0.419 171 Y N 0.069 120.444 120.300 0.124 0.000 2.377 171 Y HA 0.757 5.307 4.550 -0.001 0.000 0.339 171 Y C 0.412 176.273 175.900 -0.065 0.000 1.011 171 Y CA -0.656 57.470 58.100 0.044 0.000 1.093 171 Y CB 1.811 40.222 38.460 -0.081 0.000 1.201 171 Y HN 0.752 nan 8.280 nan 0.000 0.455 172 R N 2.254 122.674 120.500 -0.134 0.000 2.589 172 R HA 0.614 4.953 4.340 -0.001 0.000 0.293 172 R C -1.760 174.345 176.300 -0.324 0.000 0.963 172 R CA -0.956 54.832 56.100 -0.520 0.000 0.905 172 R CB 0.986 30.429 30.300 -1.428 0.000 1.144 172 R HN 0.680 nan 8.270 nan 0.000 0.459 173 I N 4.995 125.389 120.570 -0.294 0.000 2.328 173 I HA 0.371 4.540 4.170 -0.001 0.000 0.287 173 I C -1.436 174.504 176.117 -0.295 0.000 1.012 173 I CA -0.287 60.860 61.300 -0.256 0.000 1.195 173 I CB 0.525 38.380 38.000 -0.242 0.000 1.350 173 I HN 0.507 nan 8.210 nan 0.000 0.464 174 L N 7.220 128.268 121.223 -0.291 0.000 2.341 174 L HA 0.512 4.851 4.340 -0.001 0.000 0.278 174 L C -0.634 176.112 176.870 -0.207 0.000 1.005 174 L CA -0.755 53.878 54.840 -0.345 0.000 0.818 174 L CB 1.736 43.436 42.059 -0.598 0.000 1.259 174 L HN 0.556 nan 8.230 nan 0.000 0.418 175 C N 2.454 121.616 119.300 -0.230 0.000 2.341 175 C HA 0.466 4.926 4.460 -0.001 0.000 0.338 175 C C 0.731 175.635 174.990 -0.144 0.000 1.257 175 C CA -0.310 58.589 59.018 -0.198 0.000 1.883 175 C CB 0.545 28.049 27.740 -0.392 0.000 2.334 175 C HN 0.971 nan 8.230 nan 0.000 0.524 176 E N 3.789 123.947 120.200 -0.071 0.000 2.734 176 E HA 0.226 4.575 4.350 -0.001 0.000 0.211 176 E C -0.020 176.584 176.600 0.007 0.000 0.991 176 E CA -0.125 56.255 56.400 -0.034 0.000 1.065 176 E CB 0.358 30.043 29.700 -0.025 0.000 1.047 176 E HN 0.698 nan 8.360 nan 0.000 0.470 177 M N 0.797 120.403 119.600 0.011 0.000 2.321 177 M HA 0.500 4.979 4.480 -0.001 0.000 0.216 177 M C -0.544 175.776 176.300 0.034 0.000 0.937 177 M CA -0.404 54.943 55.300 0.080 0.000 1.636 177 M CB 1.114 33.841 32.600 0.212 0.000 1.144 177 M HN 0.003 nan 8.290 nan 0.000 0.821 178 S N -0.810 114.932 115.700 0.070 0.000 2.547 178 S HA 0.352 4.821 4.470 -0.001 0.000 0.270 178 S C 0.103 174.751 174.600 0.080 0.000 1.150 178 S CA -0.773 57.444 58.200 0.029 0.000 0.850 178 S CB 0.691 63.908 63.200 0.029 0.000 1.118 178 S HN 0.742 nan 8.310 nan 0.000 0.461 179 L N 1.749 122.992 121.223 0.033 0.000 2.030 179 L HA -0.152 4.187 4.340 -0.001 0.000 0.222 179 L C 2.470 179.429 176.870 0.148 0.000 1.082 179 L CA 2.388 57.280 54.840 0.087 0.000 0.785 179 L CB -1.122 40.950 42.059 0.021 0.000 0.895 179 L HN 0.943 nan 8.230 nan 0.000 0.439 180 E N -0.392 119.864 120.200 0.093 0.000 2.007 180 E HA -0.288 4.062 4.350 -0.001 0.000 0.203 180 E C 2.109 178.787 176.600 0.130 0.000 1.020 180 E CA 1.608 58.064 56.400 0.093 0.000 0.845 180 E CB -0.817 28.920 29.700 0.060 0.000 0.779 180 E HN 0.595 nan 8.360 nan 0.000 0.466 181 A N 2.171 125.070 122.820 0.131 0.000 1.894 181 A HA -0.254 4.065 4.320 -0.001 0.000 0.220 181 A C 2.164 179.887 177.584 0.233 0.000 1.237 181 A CA 2.170 54.298 52.037 0.152 0.000 0.660 181 A CB -1.647 17.440 19.000 0.145 0.000 0.835 181 A HN 0.678 nan 8.150 nan 0.000 0.461 182 W N 0.356 121.703 121.300 0.078 0.000 2.290 182 W HA -0.271 4.388 4.660 -0.001 0.000 0.323 182 W C 1.913 178.559 176.519 0.213 0.000 1.260 182 W CA 2.178 59.606 57.345 0.139 0.000 1.266 182 W CB -0.388 29.099 29.460 0.044 0.000 1.149 182 W HN 0.369 nan 8.180 nan 0.000 0.482 183 L N 0.634 121.996 121.223 0.233 0.000 2.056 183 L HA -0.144 4.195 4.340 -0.001 0.000 0.207 183 L C 2.742 179.623 176.870 0.018 0.000 1.078 183 L CA 1.207 56.102 54.840 0.091 0.000 0.749 183 L CB -1.396 40.737 42.059 0.123 0.000 0.901 183 L HN -0.061 nan 8.230 nan 0.000 0.433 184 A N 0.199 123.047 122.820 0.046 0.000 2.234 184 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 184 A C 1.518 179.084 177.584 -0.030 0.000 1.167 184 A CA 1.435 53.481 52.037 0.015 0.000 0.698 184 A CB -0.571 18.450 19.000 0.035 0.000 0.779 184 A HN 0.692 nan 8.150 nan 0.000 0.475 185 Q N -1.888 117.868 119.800 -0.074 0.000 2.215 185 Q HA 0.454 4.793 4.340 -0.001 0.000 0.337 185 Q C 0.254 176.038 176.000 -0.360 0.000 0.887 185 Q CA -0.198 55.510 55.803 -0.158 0.000 1.134 185 Q CB -0.499 28.174 28.738 -0.108 0.000 1.303 185 Q HN 0.941 nan 8.270 nan 0.000 0.421 186 G N 1.612 110.226 108.800 -0.311 0.000 2.487 186 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.243 186 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.243 186 G C -1.085 173.389 174.900 -0.710 0.000 0.918 186 G CA 0.295 45.155 45.100 -0.400 0.000 1.260 186 G HN 0.741 nan 8.290 nan 0.000 0.408 187 H N 1.368 120.256 119.070 -0.303 0.000 3.123 187 H HA 0.450 5.005 4.556 -0.001 0.000 0.346 187 H C -2.020 173.231 175.328 -0.129 0.000 1.138 187 H CA -1.001 54.824 56.048 -0.371 0.000 1.273 187 H CB 2.182 31.319 29.762 -1.043 0.000 1.926 187 H HN 0.402 nan 8.280 nan 0.000 0.524 188 P HA 0.027 nan 4.420 nan 0.000 0.274 188 P C -0.666 176.749 177.300 0.190 0.000 1.264 188 P CA -0.528 62.646 63.100 0.123 0.000 0.795 188 P CB 1.129 32.898 31.700 0.116 0.000 1.064 189 L N 1.427 122.742 121.223 0.154 0.000 2.290 189 L HA 0.353 4.692 4.340 -0.001 0.000 0.284 189 L C -1.866 175.095 176.870 0.153 0.000 1.078 189 L CA -1.389 53.552 54.840 0.167 0.000 0.815 189 L CB -0.384 41.749 42.059 0.123 0.000 1.162 189 L HN 0.284 nan 8.230 nan 0.000 0.435 190 P HA 0.063 nan 4.420 nan 0.000 0.268 190 P C 0.463 177.803 177.300 0.068 0.000 1.208 190 P CA -0.266 62.888 63.100 0.090 0.000 0.777 190 P CB 0.754 32.468 31.700 0.024 0.000 0.875 191 K N 1.451 121.880 120.400 0.048 0.000 2.001 191 K HA -0.056 4.263 4.320 -0.001 0.000 0.208 191 K C 0.567 177.198 176.600 0.052 0.000 1.048 191 K CA 1.278 57.594 56.287 0.047 0.000 0.932 191 K CB 0.150 32.668 32.500 0.031 0.000 0.715 191 K HN 0.388 nan 8.250 nan 0.000 0.437 192 R N -0.036 120.483 120.500 0.032 0.000 2.832 192 R HA 0.427 4.766 4.340 -0.001 0.000 0.271 192 R C -1.178 175.137 176.300 0.026 0.000 0.996 192 R CA -0.598 55.529 56.100 0.044 0.000 0.977 192 R CB 2.327 32.642 30.300 0.026 0.000 1.168 192 R HN -0.061 nan 8.270 nan 0.000 0.482 193 V N 1.076 121.031 119.914 0.068 0.000 3.102 193 V HA 0.594 4.713 4.120 -0.001 0.000 0.312 193 V C -1.198 174.944 176.094 0.080 0.000 1.135 193 V CA -0.815 61.512 62.300 0.045 0.000 1.022 193 V CB 2.444 34.301 31.823 0.057 0.000 1.056 193 V HN 0.672 nan 8.190 nan 0.000 0.436 194 R N 2.875 123.385 120.500 0.018 0.000 2.673 194 R HA 0.458 4.798 4.340 -0.001 0.000 0.281 194 R C -0.849 175.418 176.300 -0.054 0.000 0.991 194 R CA -0.742 55.355 56.100 -0.006 0.000 0.896 194 R CB 1.656 31.923 30.300 -0.055 0.000 1.201 194 R HN 0.855 nan 8.270 nan 0.000 0.457 195 N N 1.161 119.816 118.700 -0.075 0.000 2.329 195 N HA -0.045 4.695 4.740 -0.001 0.000 0.237 195 N C 0.481 175.788 175.510 -0.338 0.000 1.258 195 N CA 0.636 53.485 53.050 -0.335 0.000 0.866 195 N CB 1.067 39.185 38.487 -0.615 0.000 1.102 195 N HN 0.717 nan 8.380 nan 0.000 0.440 196 A N 1.568 124.157 122.820 -0.385 0.000 1.956 196 A HA -0.041 4.278 4.320 -0.001 0.000 0.212 196 A C 1.474 179.007 177.584 -0.086 0.000 1.188 196 A CA 0.427 52.376 52.037 -0.146 0.000 0.675 196 A CB -0.604 18.368 19.000 -0.047 0.000 0.845 196 A HN 0.769 nan 8.150 nan 0.000 0.455 197 Y N 0.808 121.126 120.300 0.030 0.000 2.439 197 Y HA 0.237 4.786 4.550 -0.001 0.000 0.292 197 Y C 0.744 176.661 175.900 0.028 0.000 1.130 197 Y CA -0.024 58.091 58.100 0.025 0.000 1.254 197 Y CB -0.552 37.921 38.460 0.022 0.000 1.000 197 Y HN 0.470 nan 8.280 nan 0.000 0.554 198 D N -0.870 119.489 120.400 -0.068 0.000 3.158 198 D HA 0.272 4.912 4.640 -0.001 0.000 0.314 198 D C 0.409 176.660 176.300 -0.080 0.000 1.308 198 D CA -1.019 52.975 54.000 -0.009 0.000 1.001 198 D CB 0.396 41.258 40.800 0.102 0.000 1.389 198 D HN -0.015 nan 8.370 nan 0.000 0.595 199 R N -1.147 119.314 120.500 -0.065 0.000 2.365 199 R HA 0.259 4.599 4.340 -0.001 0.000 0.223 199 R C 0.540 176.769 176.300 -0.119 0.000 0.899 199 R CA -0.435 55.620 56.100 -0.075 0.000 1.059 199 R CB 0.271 30.537 30.300 -0.057 0.000 1.086 199 R HN 0.379 nan 8.270 nan 0.000 0.522 200 R N 2.091 122.493 120.500 -0.164 0.000 2.784 200 R HA 0.068 4.407 4.340 -0.001 0.000 0.266 200 R C -0.370 175.687 176.300 -0.405 0.000 1.044 200 R CA 0.529 56.449 56.100 -0.301 0.000 1.151 200 R CB 0.475 30.555 30.300 -0.368 0.000 1.037 200 R HN -0.055 nan 8.270 nan 0.000 0.478 201 T N -0.315 113.932 114.554 -0.512 0.000 2.900 201 T HA 0.685 5.035 4.350 -0.001 0.000 0.295 201 T C -1.121 173.302 174.700 -0.463 0.000 1.044 201 T CA -0.910 60.953 62.100 -0.396 0.000 0.995 201 T CB 0.856 69.624 68.868 -0.167 0.000 1.072 201 T HN 0.665 nan 8.240 nan 0.000 0.473 202 W N -0.283 121.032 121.300 0.025 0.000 2.975 202 W HA 0.590 5.249 4.660 -0.001 0.000 0.342 202 W C -0.264 176.278 176.519 0.038 0.000 1.168 202 W CA -0.991 56.384 57.345 0.049 0.000 1.141 202 W CB 1.060 30.574 29.460 0.090 0.000 1.445 202 W HN 0.488 nan 8.180 nan 0.000 0.560 203 E N 1.954 122.348 120.200 0.324 0.000 2.259 203 E HA 0.172 4.522 4.350 -0.001 0.000 0.281 203 E C -0.828 175.885 176.600 0.189 0.000 1.037 203 E CA -0.817 55.700 56.400 0.195 0.000 0.854 203 E CB 1.594 31.389 29.700 0.159 0.000 1.051 203 E HN 0.370 nan 8.360 nan 0.000 0.409 204 L N 5.719 127.026 121.223 0.141 0.000 2.328 204 L HA 0.113 4.453 4.340 -0.001 0.000 0.280 204 L C 0.650 177.591 176.870 0.119 0.000 1.111 204 L CA 0.303 55.216 54.840 0.122 0.000 0.909 204 L CB -0.375 41.742 42.059 0.097 0.000 1.277 204 L HN 0.587 nan 8.230 nan 0.000 0.433 205 L N 3.808 125.113 121.223 0.137 0.000 1.937 205 L HA -0.014 4.326 4.340 -0.001 0.000 0.213 205 L C 1.030 177.977 176.870 0.128 0.000 1.077 205 L CA 1.336 56.253 54.840 0.129 0.000 0.758 205 L CB -0.459 41.687 42.059 0.145 0.000 0.888 205 L HN 0.696 nan 8.230 nan 0.000 0.433 206 R N -1.378 119.228 120.500 0.176 0.000 2.733 206 R HA 0.575 4.914 4.340 -0.001 0.000 0.272 206 R C -1.521 174.917 176.300 0.230 0.000 1.029 206 R CA -0.952 55.250 56.100 0.170 0.000 0.888 206 R CB 1.228 31.606 30.300 0.131 0.000 1.251 206 R HN -0.101 nan 8.270 nan 0.000 0.464 207 L N 0.859 122.194 121.223 0.186 0.000 2.325 207 L HA 0.628 4.967 4.340 -0.001 0.000 0.279 207 L C 0.482 177.502 176.870 0.250 0.000 1.054 207 L CA -0.419 54.530 54.840 0.182 0.000 0.804 207 L CB 1.751 43.880 42.059 0.117 0.000 1.200 207 L HN 0.933 nan 8.230 nan 0.000 0.436 208 G N 0.908 109.884 108.800 0.293 0.000 3.016 208 G HA2 0.518 4.477 3.960 -0.001 0.000 0.270 208 G HA3 0.518 4.477 3.960 -0.001 0.000 0.270 208 G C -0.257 174.757 174.900 0.190 0.000 1.352 208 G CA -0.215 45.087 45.100 0.337 0.000 1.060 208 G HN 0.675 nan 8.290 nan 0.000 0.538 209 E N -0.645 119.657 120.200 0.171 0.000 2.945 209 E HA 0.114 4.463 4.350 -0.001 0.000 0.196 209 E C -0.507 176.154 176.600 0.101 0.000 0.965 209 E CA -0.087 56.378 56.400 0.109 0.000 1.270 209 E CB 0.952 30.700 29.700 0.080 0.000 1.045 209 E HN 0.492 nan 8.360 nan 0.000 0.474 210 E N 1.303 121.585 120.200 0.137 0.000 2.409 210 E HA 0.019 4.369 4.350 -0.001 0.000 0.257 210 E C -0.173 176.472 176.600 0.076 0.000 1.150 210 E CA 0.041 56.512 56.400 0.117 0.000 0.942 210 E CB 0.472 30.274 29.700 0.171 0.000 0.979 210 E HN -0.053 nan 8.360 nan 0.000 0.447 211 D N 1.273 121.709 120.400 0.059 0.000 2.312 211 D HA 0.059 4.698 4.640 -0.001 0.000 0.252 211 D C -1.671 174.650 176.300 0.034 0.000 1.150 211 D CA -2.231 51.794 54.000 0.043 0.000 0.870 211 D CB 0.998 41.820 40.800 0.037 0.000 1.153 211 D HN 0.094 nan 8.370 nan 0.000 0.457 212 P HA -0.136 nan 4.420 nan 0.000 0.222 212 P C 0.883 178.199 177.300 0.026 0.000 1.147 212 P CA 0.602 63.715 63.100 0.021 0.000 0.790 212 P CB 0.448 32.165 31.700 0.029 0.000 0.780 213 K N -0.161 120.256 120.400 0.028 0.000 2.404 213 K HA 0.039 4.358 4.320 -0.001 0.000 0.194 213 K C 1.210 177.824 176.600 0.023 0.000 1.023 213 K CA 0.495 56.798 56.287 0.026 0.000 1.094 213 K CB 0.360 32.875 32.500 0.026 0.000 0.841 213 K HN 0.108 nan 8.250 nan 0.000 0.523 214 E N -0.493 119.722 120.200 0.024 0.000 2.414 214 E HA 0.024 4.373 4.350 -0.001 0.000 0.208 214 E C 0.434 177.050 176.600 0.026 0.000 0.820 214 E CA -0.313 56.102 56.400 0.025 0.000 1.143 214 E CB 0.222 29.939 29.700 0.029 0.000 1.150 214 E HN 0.003 nan 8.360 nan 0.000 0.540 215 L N 5.891 127.131 121.223 0.029 0.000 2.638 215 L HA 0.118 4.457 4.340 -0.001 0.000 0.273 215 L C -2.373 174.501 176.870 0.006 0.000 1.147 215 L CA -0.419 54.441 54.840 0.033 0.000 0.941 215 L CB -0.088 41.987 42.059 0.025 0.000 1.251 215 L HN -0.154 nan 8.230 nan 0.000 0.479 216 P HA 0.319 nan 4.420 nan 0.000 0.279 216 P C -0.918 176.359 177.300 -0.038 0.000 1.252 216 P CA -0.668 62.423 63.100 -0.014 0.000 0.811 216 P CB 1.865 33.563 31.700 -0.003 0.000 1.035 217 L N 2.195 123.370 121.223 -0.080 0.000 2.322 217 L HA 0.419 4.759 4.340 -0.001 0.000 0.269 217 L C -2.052 174.760 176.870 -0.095 0.000 1.012 217 L CA -2.696 52.067 54.840 -0.127 0.000 0.815 217 L CB 1.443 43.348 42.059 -0.257 0.000 1.295 217 L HN 0.174 nan 8.230 nan 0.000 0.438 218 P HA 0.008 nan 4.420 nan 0.000 0.237 218 P C 0.458 177.721 177.300 -0.062 0.000 1.149 218 P CA 0.808 63.872 63.100 -0.061 0.000 1.254 218 P CB -0.024 31.642 31.700 -0.057 0.000 1.382 219 G N 1.427 110.200 108.800 -0.045 0.000 3.259 219 G HA2 0.142 4.101 3.960 -0.001 0.000 0.217 219 G HA3 0.142 4.101 3.960 -0.001 0.000 0.217 219 G C 0.775 175.658 174.900 -0.027 0.000 0.993 219 G CA 0.387 45.466 45.100 -0.036 0.000 0.836 219 G HN 0.702 nan 8.290 nan 0.000 0.514 220 G N -0.194 108.587 108.800 -0.032 0.000 2.254 220 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.225 220 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.225 220 G C 0.535 175.423 174.900 -0.020 0.000 1.003 220 G CA 0.315 45.404 45.100 -0.020 0.000 0.622 220 G HN 1.224 nan 8.290 nan 0.000 0.507 221 L N 2.272 123.479 121.223 -0.027 0.000 2.485 221 L HA 0.456 4.795 4.340 -0.001 0.000 0.275 221 L C 1.348 178.207 176.870 -0.019 0.000 1.207 221 L CA 0.540 55.372 54.840 -0.013 0.000 0.855 221 L CB 1.023 43.080 42.059 -0.004 0.000 1.114 221 L HN 0.396 nan 8.230 nan 0.000 0.485 222 S N 3.546 119.249 115.700 0.005 0.000 2.579 222 S HA 0.011 4.480 4.470 -0.001 0.000 0.275 222 S C 1.030 175.638 174.600 0.013 0.000 1.345 222 S CA -0.545 57.659 58.200 0.007 0.000 1.031 222 S CB 0.767 63.979 63.200 0.020 0.000 0.892 222 S HN 0.689 nan 8.310 nan 0.000 0.529 223 L N 3.857 125.076 121.223 -0.006 0.000 2.005 223 L HA -0.024 4.315 4.340 -0.001 0.000 0.207 223 L C 2.170 179.078 176.870 0.063 0.000 1.072 223 L CA 2.024 56.855 54.840 -0.014 0.000 0.744 223 L CB -1.088 40.941 42.059 -0.051 0.000 0.895 223 L HN 0.886 nan 8.230 nan 0.000 0.433 224 L N 0.554 121.818 121.223 0.068 0.000 1.994 224 L HA -0.240 4.099 4.340 -0.001 0.000 0.208 224 L C 2.035 178.951 176.870 0.078 0.000 1.071 224 L CA 2.126 57.022 54.840 0.094 0.000 0.745 224 L CB -0.700 41.397 42.059 0.064 0.000 0.892 224 L HN 0.226 nan 8.230 nan 0.000 0.431 225 D N -1.927 118.507 120.400 0.056 0.000 2.219 225 D HA -0.215 4.424 4.640 -0.001 0.000 0.205 225 D C 1.794 178.118 176.300 0.041 0.000 0.970 225 D CA 1.097 55.121 54.000 0.041 0.000 0.851 225 D CB -0.171 40.649 40.800 0.034 0.000 0.943 225 D HN 0.520 nan 8.370 nan 0.000 0.488 226 Y N 1.199 121.447 120.300 -0.086 0.000 2.049 226 Y HA -0.286 4.263 4.550 -0.001 0.000 0.277 226 Y C 2.270 178.090 175.900 -0.133 0.000 1.143 226 Y CA 1.852 59.862 58.100 -0.150 0.000 1.115 226 Y CB -0.681 37.620 38.460 -0.266 0.000 0.975 226 Y HN 0.129 nan 8.280 nan 0.000 0.487 227 H N -0.132 118.735 119.070 -0.339 0.000 2.353 227 H HA -0.078 4.477 4.556 -0.001 0.000 0.300 227 H C 2.359 177.519 175.328 -0.280 0.000 1.090 227 H CA 1.367 57.156 56.048 -0.432 0.000 1.327 227 H CB -0.885 28.764 29.762 -0.187 0.000 1.383 227 H HN 0.520 nan 8.280 nan 0.000 0.508 228 A N 0.747 123.557 122.820 -0.017 0.000 1.972 228 A HA -0.158 4.161 4.320 -0.001 0.000 0.219 228 A C 2.835 180.383 177.584 -0.059 0.000 1.169 228 A CA 2.019 54.041 52.037 -0.025 0.000 0.635 228 A CB -0.917 18.085 19.000 0.004 0.000 0.810 228 A HN 0.555 nan 8.150 nan 0.000 0.446 229 S N 0.180 115.830 115.700 -0.083 0.000 2.368 229 S HA -0.151 4.318 4.470 -0.001 0.000 0.225 229 S C 1.875 176.411 174.600 -0.107 0.000 1.030 229 S CA 1.673 59.827 58.200 -0.077 0.000 0.999 229 S CB -0.314 62.849 63.200 -0.062 0.000 0.844 229 S HN 0.560 nan 8.310 nan 0.000 0.459 230 K N 0.544 120.833 120.400 -0.184 0.000 2.569 230 K HA 0.245 4.564 4.320 -0.001 0.000 0.193 230 K C 1.110 177.627 176.600 -0.137 0.000 1.026 230 K CA 0.311 56.486 56.287 -0.186 0.000 1.093 230 K CB -0.412 31.905 32.500 -0.306 0.000 0.849 230 K HN 0.509 nan 8.250 nan 0.000 0.509 231 G N 2.696 111.438 108.800 -0.097 0.000 2.233 231 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.270 231 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.270 231 G C 0.749 175.611 174.900 -0.063 0.000 1.011 231 G CA 0.892 45.954 45.100 -0.063 0.000 0.762 231 G HN 0.502 nan 8.290 nan 0.000 0.511 232 R N -0.345 120.091 120.500 -0.106 0.000 2.334 232 R HA 0.327 4.666 4.340 -0.001 0.000 0.220 232 R C 1.555 177.833 176.300 -0.036 0.000 0.917 232 R CA 0.186 56.233 56.100 -0.089 0.000 1.073 232 R CB -0.061 30.087 30.300 -0.252 0.000 1.056 232 R HN 0.456 nan 8.270 nan 0.000 0.506 233 L N 1.006 122.212 121.223 -0.028 0.000 2.640 233 L HA 0.182 4.522 4.340 -0.001 0.000 0.230 233 L C 0.198 177.072 176.870 0.006 0.000 1.123 233 L CA -0.026 54.812 54.840 -0.003 0.000 0.900 233 L CB 0.377 42.441 42.059 0.007 0.000 1.146 233 L HN 0.101 nan 8.230 nan 0.000 0.484 234 Q N 0.565 120.367 119.800 0.003 0.000 2.286 234 Q HA 0.171 4.510 4.340 -0.001 0.000 0.265 234 Q C 1.038 177.047 176.000 0.015 0.000 1.080 234 Q CA 0.833 56.641 55.803 0.007 0.000 0.906 234 Q CB 0.894 29.635 28.738 0.004 0.000 1.227 234 Q HN 0.441 nan 8.270 nan 0.000 0.409 235 G N 3.311 112.121 108.800 0.017 0.000 2.157 235 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.248 235 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.248 235 G C 0.325 175.240 174.900 0.024 0.000 0.979 235 G CA 0.372 45.484 45.100 0.020 0.000 0.650 235 G HN 0.534 nan 8.290 nan 0.000 0.529 236 R N -0.896 119.618 120.500 0.024 0.000 3.236 236 R HA 0.838 5.177 4.340 -0.001 0.000 0.234 236 R C -0.188 176.126 176.300 0.023 0.000 1.541 236 R CA -0.098 56.018 56.100 0.026 0.000 1.038 236 R CB 0.695 31.012 30.300 0.028 0.000 1.587 236 R HN 0.675 nan 8.270 nan 0.000 0.515 237 E N 0.075 120.290 120.200 0.024 0.000 2.777 237 E HA 0.243 4.592 4.350 -0.001 0.000 0.375 237 E C -0.318 176.298 176.600 0.026 0.000 1.093 237 E CA -0.131 56.284 56.400 0.025 0.000 0.755 237 E CB 0.673 30.388 29.700 0.024 0.000 1.595 237 E HN 0.844 nan 8.360 nan 0.000 0.380 238 G N 1.432 110.249 108.800 0.028 0.000 2.515 238 G HA2 0.382 4.341 3.960 -0.001 0.000 0.290 238 G HA3 0.382 4.341 3.960 -0.001 0.000 0.290 238 G C 1.113 176.033 174.900 0.034 0.000 0.795 238 G CA 0.708 45.827 45.100 0.032 0.000 1.866 238 G HN 0.971 nan 8.290 nan 0.000 0.476 239 G N 2.293 111.110 108.800 0.028 0.000 2.474 239 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.157 239 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.157 239 G C 0.890 175.807 174.900 0.028 0.000 1.720 239 G CA -0.228 44.890 45.100 0.029 0.000 0.931 239 G HN 0.643 nan 8.290 nan 0.000 0.376 240 R N -1.296 119.219 120.500 0.026 0.000 2.707 240 R HA 0.378 4.717 4.340 -0.001 0.000 0.270 240 R C 0.052 176.353 176.300 0.003 0.000 1.083 240 R CA -0.644 55.470 56.100 0.024 0.000 1.182 240 R CB 0.879 31.200 30.300 0.036 0.000 1.084 240 R HN 0.169 nan 8.270 nan 0.000 0.528 241 V N 0.894 120.802 119.914 -0.011 0.000 2.924 241 V HA 0.380 4.499 4.120 -0.001 0.000 0.305 241 V C 0.145 176.170 176.094 -0.114 0.000 1.073 241 V CA -0.019 62.222 62.300 -0.098 0.000 1.098 241 V CB 1.298 33.047 31.823 -0.125 0.000 1.000 241 V HN 0.888 nan 8.190 nan 0.000 0.484 242 A N 3.169 125.843 122.820 -0.243 0.000 2.497 242 A HA 0.573 4.892 4.320 -0.001 0.000 0.280 242 A C -1.426 175.990 177.584 -0.281 0.000 1.065 242 A CA -0.633 51.312 52.037 -0.153 0.000 0.781 242 A CB 0.524 19.482 19.000 -0.070 0.000 1.289 242 A HN 0.747 nan 8.150 nan 0.000 0.415 243 W N 2.834 124.143 121.300 0.016 0.000 2.345 243 W HA 0.471 5.130 4.660 -0.001 0.000 0.308 243 W C 0.501 177.014 176.519 -0.011 0.000 1.273 243 W CA 0.069 57.410 57.345 -0.006 0.000 1.243 243 W CB 1.368 30.828 29.460 -0.000 0.000 1.260 243 W HN 0.727 nan 8.180 nan 0.000 0.509 244 V N 0.671 120.634 119.914 0.082 0.000 3.155 244 V HA 1.011 5.130 4.120 -0.001 0.000 0.313 244 V C -0.483 175.665 176.094 0.090 0.000 1.162 244 V CA -1.626 60.709 62.300 0.059 0.000 1.048 244 V CB 1.450 33.221 31.823 -0.088 0.000 1.092 244 V HN 0.614 nan 8.190 nan 0.000 0.447 245 A N 0.564 123.499 122.820 0.192 0.000 2.475 245 A HA 0.710 5.030 4.320 -0.001 0.000 0.301 245 A C -1.199 176.634 177.584 0.415 0.000 1.059 245 A CA -0.416 51.763 52.037 0.238 0.000 0.710 245 A CB 1.598 20.705 19.000 0.180 0.000 1.288 245 A HN 1.074 nan 8.150 nan 0.000 0.408 246 D N 1.691 122.340 120.400 0.416 0.000 2.343 246 D HA 0.366 5.005 4.640 -0.001 0.000 0.255 246 D C -1.930 174.495 176.300 0.208 0.000 1.187 246 D CA -1.547 52.692 54.000 0.397 0.000 0.875 246 D CB 1.100 42.100 40.800 0.334 0.000 1.136 246 D HN 0.103 nan 8.370 nan 0.000 0.469 247 P HA -0.020 nan 4.420 nan 0.000 0.261 247 P C 0.375 177.714 177.300 0.064 0.000 1.297 247 P CA 0.916 64.068 63.100 0.086 0.000 0.757 247 P CB -0.104 31.624 31.700 0.047 0.000 1.149 248 K N -1.490 118.957 120.400 0.078 0.000 2.276 248 K HA 0.292 4.612 4.320 -0.001 0.000 0.198 248 K C 1.012 177.653 176.600 0.069 0.000 1.052 248 K CA 1.419 57.743 56.287 0.063 0.000 0.984 248 K CB -0.752 31.786 32.500 0.063 0.000 0.836 248 K HN 0.279 nan 8.250 nan 0.000 0.490 249 D N 1.281 121.735 120.400 0.089 0.000 2.586 249 D HA 0.322 4.961 4.640 -0.001 0.000 0.254 249 D C -2.436 173.922 176.300 0.096 0.000 1.248 249 D CA -0.423 53.626 54.000 0.083 0.000 0.843 249 D CB 1.050 41.898 40.800 0.081 0.000 1.332 249 D HN 0.113 nan 8.370 nan 0.000 0.523 250 P HA 0.005 nan 4.420 nan 0.000 0.261 250 P C 1.478 178.826 177.300 0.078 0.000 1.297 250 P CA 0.830 63.987 63.100 0.096 0.000 0.757 250 P CB 0.073 31.822 31.700 0.081 0.000 1.149 251 R N 0.966 121.508 120.500 0.069 0.000 2.074 251 R HA 0.070 4.409 4.340 -0.001 0.000 0.218 251 R C 1.516 177.847 176.300 0.051 0.000 1.137 251 R CA 0.679 56.809 56.100 0.051 0.000 0.998 251 R CB -0.898 29.427 30.300 0.042 0.000 0.895 251 R HN 0.117 nan 8.270 nan 0.000 0.442 252 K N 2.834 123.273 120.400 0.065 0.000 2.349 252 K HA 0.153 4.473 4.320 -0.001 0.000 0.289 252 K C -2.364 174.295 176.600 0.099 0.000 1.064 252 K CA -1.771 54.556 56.287 0.067 0.000 0.947 252 K CB 1.189 33.731 32.500 0.070 0.000 1.007 252 K HN 0.195 nan 8.250 nan 0.000 0.478 253 P HA 0.252 nan 4.420 nan 0.000 0.279 253 P C -0.632 176.849 177.300 0.301 0.000 1.239 253 P CA -0.226 63.004 63.100 0.217 0.000 0.789 253 P CB 0.971 32.767 31.700 0.159 0.000 0.933 254 I N 4.103 124.820 120.570 0.246 0.000 2.498 254 I HA 0.351 4.520 4.170 -0.001 0.000 0.290 254 I C -2.247 173.766 176.117 -0.174 0.000 1.032 254 I CA -2.884 58.433 61.300 0.029 0.000 1.073 254 I CB 2.729 40.613 38.000 -0.194 0.000 1.251 254 I HN 0.167 nan 8.210 nan 0.000 0.426 255 P HA 0.295 nan 4.420 nan 0.000 0.276 255 P C -1.213 175.791 177.300 -0.494 0.000 1.244 255 P CA 0.091 62.623 63.100 -0.947 0.000 0.801 255 P CB 1.504 32.587 31.700 -1.027 0.000 1.006 256 H N -0.733 118.048 119.070 -0.483 0.000 2.918 256 H HA 0.566 5.121 4.556 -0.001 0.000 0.303 256 H C -1.089 174.153 175.328 -0.144 0.000 1.380 256 H CA -0.843 55.084 56.048 -0.202 0.000 1.134 256 H CB 1.270 30.893 29.762 -0.232 0.000 1.842 256 H HN 0.183 nan 8.280 nan 0.000 0.533 257 L N 1.067 122.438 121.223 0.247 0.000 2.346 257 L HA 0.261 4.601 4.340 -0.001 0.000 0.276 257 L C 1.335 178.173 176.870 -0.053 0.000 1.006 257 L CA -0.365 54.517 54.840 0.070 0.000 0.817 257 L CB 2.101 44.239 42.059 0.131 0.000 1.272 257 L HN 0.866 nan 8.230 nan 0.000 0.421 258 T N -2.188 112.344 114.554 -0.036 0.000 2.867 258 T HA -0.098 4.252 4.350 -0.001 0.000 0.268 258 T C 1.666 176.348 174.700 -0.029 0.000 1.057 258 T CA 0.995 63.072 62.100 -0.038 0.000 1.136 258 T CB -0.287 68.585 68.868 0.007 0.000 0.874 258 T HN 0.780 nan 8.240 nan 0.000 0.466 259 G N 0.992 109.787 108.800 -0.009 0.000 2.534 259 G HA2 0.123 4.082 3.960 -0.001 0.000 0.217 259 G HA3 0.123 4.082 3.960 -0.001 0.000 0.217 259 G C 1.245 176.135 174.900 -0.017 0.000 1.128 259 G CA 0.156 45.257 45.100 0.002 0.000 0.784 259 G HN 0.551 nan 8.290 nan 0.000 0.542 260 L N 0.024 121.214 121.223 -0.055 0.000 2.769 260 L HA 0.447 4.787 4.340 -0.001 0.000 0.240 260 L C 0.186 176.947 176.870 -0.182 0.000 1.163 260 L CA -0.109 54.691 54.840 -0.067 0.000 0.962 260 L CB 0.129 42.167 42.059 -0.035 0.000 1.258 260 L HN 0.071 nan 8.230 nan 0.000 0.513 261 L N -0.603 120.505 121.223 -0.191 0.000 2.303 261 L HA 0.643 4.982 4.340 -0.001 0.000 0.266 261 L C -0.741 176.059 176.870 -0.117 0.000 1.011 261 L CA -0.921 53.794 54.840 -0.207 0.000 0.818 261 L CB 2.602 44.519 42.059 -0.238 0.000 1.326 261 L HN -0.354 nan 8.230 nan 0.000 0.435 262 V N 1.359 121.205 119.914 -0.113 0.000 2.623 262 V HA 0.359 4.479 4.120 -0.001 0.000 0.304 262 V C -2.379 173.618 176.094 -0.162 0.000 1.054 262 V CA -1.486 60.740 62.300 -0.124 0.000 0.882 262 V CB 2.001 33.762 31.823 -0.103 0.000 1.002 262 V HN 0.574 nan 8.190 nan 0.000 0.424 263 P HA 0.178 nan 4.420 nan 0.000 0.276 263 P C -0.470 176.632 177.300 -0.330 0.000 1.230 263 P CA 0.022 62.936 63.100 -0.311 0.000 0.776 263 P CB 1.501 32.872 31.700 -0.549 0.000 0.888 264 V N 5.161 124.947 119.914 -0.214 0.000 2.432 264 V HA 0.109 4.229 4.120 -0.001 0.000 0.271 264 V C 0.997 176.956 176.094 -0.226 0.000 1.046 264 V CA -0.189 61.996 62.300 -0.192 0.000 0.945 264 V CB 0.256 32.012 31.823 -0.111 0.000 0.992 264 V HN 0.398 nan 8.190 nan 0.000 0.471 265 L N 4.543 125.599 121.223 -0.279 0.000 2.439 265 L HA 0.528 4.868 4.340 -0.001 0.000 0.259 265 L C 1.057 177.810 176.870 -0.195 0.000 1.129 265 L CA -0.105 54.570 54.840 -0.275 0.000 0.803 265 L CB 1.340 43.174 42.059 -0.375 0.000 1.161 265 L HN 0.716 nan 8.230 nan 0.000 0.462 266 T N 0.104 114.558 114.554 -0.168 0.000 3.536 266 T HA 0.177 4.526 4.350 -0.001 0.000 0.242 266 T C 0.021 174.636 174.700 -0.142 0.000 0.980 266 T CA -0.008 62.013 62.100 -0.132 0.000 1.132 266 T CB 0.300 69.122 68.868 -0.077 0.000 1.185 266 T HN 0.471 nan 8.240 nan 0.000 0.374 267 L N 0.927 122.083 121.223 -0.111 0.000 3.025 267 L HA 0.684 5.024 4.340 -0.001 0.000 0.307 267 L C -0.461 176.360 176.870 -0.082 0.000 1.303 267 L CA -0.358 54.421 54.840 -0.102 0.000 0.817 267 L CB -0.008 42.018 42.059 -0.055 0.000 1.227 267 L HN 0.146 nan 8.230 nan 0.000 0.571 268 E N -0.937 119.187 120.200 -0.127 0.000 2.876 268 E HA 0.274 4.623 4.350 -0.001 0.000 0.208 268 E C 0.061 176.581 176.600 -0.134 0.000 0.981 268 E CA 0.448 56.828 56.400 -0.034 0.000 1.174 268 E CB 0.700 30.461 29.700 0.101 0.000 1.047 268 E HN 0.551 nan 8.360 nan 0.000 0.477 269 D N 2.167 122.311 120.400 -0.428 0.000 2.508 269 D HA 0.244 4.883 4.640 -0.001 0.000 0.224 269 D C -0.350 175.951 176.300 0.003 0.000 1.171 269 D CA -0.146 53.301 54.000 -0.922 0.000 1.006 269 D CB -0.038 39.917 40.800 -1.409 0.000 1.073 269 D HN -0.119 nan 8.370 nan 0.000 0.513 270 L N 2.250 123.719 121.223 0.410 0.000 2.262 270 L HA 0.688 5.028 4.340 -0.001 0.000 0.288 270 L C 0.898 178.007 176.870 0.399 0.000 1.035 270 L CA 0.111 55.157 54.840 0.344 0.000 0.820 270 L CB -0.596 41.595 42.059 0.219 0.000 1.204 270 L HN 0.977 nan 8.230 nan 0.000 0.424 276 S N -0.111 115.581 115.700 -0.014 0.000 4.098 276 S HA 0.849 5.318 4.470 -0.001 0.000 0.193 276 S C 1.945 176.565 174.600 0.033 0.000 1.049 276 S CA 1.800 59.987 58.200 -0.022 0.000 1.034 276 S CB -0.481 62.654 63.200 -0.108 0.000 1.380 276 S HN 2.299 nan 8.310 nan 0.000 0.629 277 L N -0.676 120.576 121.223 0.048 0.000 5.044 277 L HA 0.133 4.472 4.340 -0.001 0.000 0.412 277 L C 1.070 177.949 176.870 0.015 0.000 0.971 277 L CA 1.560 56.410 54.840 0.016 0.000 1.411 277 L CB -2.654 39.418 42.059 0.022 0.000 1.884 277 L HN 2.086 nan 8.230 nan 0.000 0.631 278 A N -0.395 122.458 122.820 0.055 0.000 3.126 278 A HA 0.858 5.178 4.320 -0.001 0.000 0.268 278 A C 1.597 179.226 177.584 0.075 0.000 1.605 278 A CA 0.781 52.863 52.037 0.075 0.000 1.305 278 A CB -0.333 18.727 19.000 0.100 0.000 1.160 278 A HN 2.241 nan 8.150 nan 0.000 0.609 279 L N 0.829 122.071 121.223 0.031 0.000 2.633 279 L HA 0.208 4.548 4.340 -0.001 0.000 0.235 279 L C 1.427 178.465 176.870 0.279 0.000 1.163 279 L CA 1.468 56.376 54.840 0.114 0.000 0.859 279 L CB -2.133 39.987 42.059 0.102 0.000 0.973 279 L HN 0.884 nan 8.230 nan 0.000 0.451 280 S N -1.355 114.451 115.700 0.177 0.000 2.730 280 S HA 0.867 5.336 4.470 -0.001 0.000 0.284 280 S C -0.572 174.119 174.600 0.151 0.000 1.153 280 S CA -0.729 57.556 58.200 0.143 0.000 0.995 280 S CB 1.841 65.100 63.200 0.098 0.000 1.058 280 S HN 0.428 nan 8.310 nan 0.000 0.552 281 L N 0.987 122.284 121.223 0.123 0.000 2.482 281 L HA 0.534 4.873 4.340 -0.001 0.000 0.263 281 L C -2.702 174.246 176.870 0.129 0.000 0.957 281 L CA -2.256 52.654 54.840 0.117 0.000 0.836 281 L CB 3.024 45.141 42.059 0.097 0.000 1.324 281 L HN 0.543 nan 8.230 nan 0.000 0.406 282 P HA -0.006 nan 4.420 nan 0.000 0.280 282 P C 0.605 177.970 177.300 0.109 0.000 1.244 282 P CA -0.403 62.745 63.100 0.080 0.000 0.784 282 P CB 0.645 32.335 31.700 -0.017 0.000 0.913 283 W N 4.465 125.855 121.300 0.149 0.000 2.359 283 W HA -0.148 4.512 4.660 -0.001 0.000 0.275 283 W C 0.752 177.312 176.519 0.069 0.000 1.217 283 W CA 0.984 58.438 57.345 0.181 0.000 1.196 283 W CB -0.934 28.683 29.460 0.263 0.000 1.129 283 W HN 0.316 nan 8.180 nan 0.000 0.566 284 E N 1.459 121.363 120.200 -0.494 0.000 2.230 284 E HA -0.158 4.192 4.350 -0.001 0.000 0.192 284 E C 1.867 178.348 176.600 -0.198 0.000 0.987 284 E CA 1.275 57.375 56.400 -0.500 0.000 0.841 284 E CB -0.074 29.130 29.700 -0.826 0.000 0.783 284 E HN 0.335 nan 8.360 nan 0.000 0.481 285 E N 1.109 121.223 120.200 -0.143 0.000 2.047 285 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 285 E C 2.182 178.767 176.600 -0.025 0.000 0.987 285 E CA 1.804 58.165 56.400 -0.065 0.000 0.799 285 E CB -0.183 29.502 29.700 -0.025 0.000 0.752 285 E HN 0.182 nan 8.360 nan 0.000 0.449 286 R N 0.196 120.712 120.500 0.028 0.000 2.115 286 R HA 0.002 4.342 4.340 -0.001 0.000 0.226 286 R C 2.427 178.705 176.300 -0.037 0.000 1.100 286 R CA 1.321 57.454 56.100 0.054 0.000 0.980 286 R CB -0.344 30.060 30.300 0.173 0.000 0.875 286 R HN 0.073 nan 8.270 nan 0.000 0.445 287 R N 0.147 120.517 120.500 -0.217 0.000 2.152 287 R HA -0.127 4.213 4.340 -0.001 0.000 0.232 287 R C 2.440 178.593 176.300 -0.245 0.000 1.117 287 R CA 1.741 57.482 56.100 -0.599 0.000 0.981 287 R CB -0.176 29.716 30.300 -0.680 0.000 0.870 287 R HN 0.363 nan 8.270 nan 0.000 0.451 288 R N 1.054 121.474 120.500 -0.133 0.000 2.057 288 R HA 0.068 4.407 4.340 -0.001 0.000 0.224 288 R C 2.229 178.498 176.300 -0.052 0.000 1.136 288 R CA 1.214 57.265 56.100 -0.081 0.000 0.968 288 R CB -1.078 29.180 30.300 -0.069 0.000 0.863 288 R HN 0.219 nan 8.270 nan 0.000 0.433 289 R N 0.668 121.144 120.500 -0.040 0.000 2.117 289 R HA -0.108 4.231 4.340 -0.001 0.000 0.243 289 R C 2.368 178.655 176.300 -0.021 0.000 1.143 289 R CA 2.031 58.112 56.100 -0.032 0.000 0.968 289 R CB -0.995 29.288 30.300 -0.029 0.000 0.863 289 R HN 0.574 nan 8.270 nan 0.000 0.444 290 T N 1.079 115.641 114.554 0.013 0.000 2.595 290 T HA -0.158 4.191 4.350 -0.001 0.000 0.264 290 T C 1.955 176.665 174.700 0.016 0.000 1.058 290 T CA 1.477 63.627 62.100 0.084 0.000 1.166 290 T CB -0.200 68.794 68.868 0.210 0.000 0.863 290 T HN 0.351 nan 8.240 nan 0.000 0.415 291 R N 1.047 121.567 120.500 0.034 0.000 2.083 291 R HA -0.080 4.259 4.340 -0.001 0.000 0.237 291 R C 3.045 179.264 176.300 -0.134 0.000 1.137 291 R CA 1.753 57.815 56.100 -0.064 0.000 0.951 291 R CB -0.740 29.565 30.300 0.010 0.000 0.851 291 R HN 0.638 nan 8.270 nan 0.000 0.434 292 E N 1.461 121.618 120.200 -0.071 0.000 2.033 292 E HA -0.221 4.128 4.350 -0.001 0.000 0.199 292 E C 1.848 178.424 176.600 -0.039 0.000 1.011 292 E CA 1.890 58.258 56.400 -0.054 0.000 0.815 292 E CB -0.691 28.980 29.700 -0.049 0.000 0.755 292 E HN 0.168 nan 8.360 nan 0.000 0.451 293 I N 1.438 121.982 120.570 -0.044 0.000 2.179 293 I HA -0.091 4.078 4.170 -0.001 0.000 0.242 293 I C 2.933 179.046 176.117 -0.008 0.000 1.088 293 I CA 1.182 62.491 61.300 0.016 0.000 1.357 293 I CB -1.051 36.942 38.000 -0.013 0.000 1.051 293 I HN 0.404 nan 8.210 nan 0.000 0.409 294 A N -0.259 122.428 122.820 -0.222 0.000 1.869 294 A HA -0.332 3.988 4.320 -0.001 0.000 0.218 294 A C 2.592 179.961 177.584 -0.358 0.000 1.203 294 A CA 2.871 54.605 52.037 -0.505 0.000 0.638 294 A CB -1.393 16.757 19.000 -1.416 0.000 0.831 294 A HN 0.461 nan 8.150 nan 0.000 0.450 295 S N -1.854 113.677 115.700 -0.282 0.000 2.359 295 S HA -0.259 4.211 4.470 -0.001 0.000 0.224 295 S C 1.722 176.288 174.600 -0.055 0.000 1.035 295 S CA 1.947 60.055 58.200 -0.152 0.000 1.018 295 S CB -0.644 62.502 63.200 -0.089 0.000 0.876 295 S HN 0.733 nan 8.310 nan 0.000 0.448 296 W N 1.422 122.632 121.300 -0.150 0.000 2.315 296 W HA -0.141 4.518 4.660 -0.001 0.000 0.323 296 W C 1.779 178.232 176.519 -0.110 0.000 1.233 296 W CA 1.719 58.999 57.345 -0.109 0.000 1.267 296 W CB -0.958 28.447 29.460 -0.092 0.000 1.160 296 W HN 0.338 nan 8.180 nan 0.000 0.474 297 I N 1.204 121.688 120.570 -0.144 0.000 2.099 297 I HA -0.216 3.953 4.170 -0.001 0.000 0.239 297 I C 2.847 178.759 176.117 -0.341 0.000 1.066 297 I CA 2.360 63.447 61.300 -0.355 0.000 1.324 297 I CB -1.512 36.401 38.000 -0.145 0.000 1.037 297 I HN 0.181 nan 8.210 nan 0.000 0.401 298 G N -0.315 108.340 108.800 -0.241 0.000 2.503 298 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.221 298 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.221 298 G C 1.807 176.579 174.900 -0.214 0.000 1.131 298 G CA 1.347 46.321 45.100 -0.211 0.000 0.756 298 G HN 0.227 nan 8.290 nan 0.000 0.572 299 R N 1.155 121.515 120.500 -0.233 0.000 2.094 299 R HA -0.120 4.219 4.340 -0.001 0.000 0.239 299 R C 2.453 178.607 176.300 -0.243 0.000 1.137 299 R CA 1.911 57.883 56.100 -0.213 0.000 0.943 299 R CB -0.252 29.917 30.300 -0.217 0.000 0.850 299 R HN 0.472 nan 8.270 nan 0.000 0.433 300 R N 0.303 120.590 120.500 -0.356 0.000 2.426 300 R HA 0.091 4.430 4.340 -0.001 0.000 0.263 300 R C 1.254 177.394 176.300 -0.267 0.000 0.961 300 R CA 0.255 56.164 56.100 -0.319 0.000 1.086 300 R CB -0.000 30.044 30.300 -0.426 0.000 1.186 300 R HN 0.322 nan 8.270 nan 0.000 0.537 301 L N 0.156 121.232 121.223 -0.246 0.000 2.408 301 L HA 0.237 4.576 4.340 -0.001 0.000 0.215 301 L C 0.809 177.569 176.870 -0.183 0.000 1.081 301 L CA 0.858 55.567 54.840 -0.218 0.000 0.840 301 L CB 0.155 42.071 42.059 -0.238 0.000 1.002 301 L HN 0.594 nan 8.230 nan 0.000 0.468 302 G N 0.595 109.298 108.800 -0.161 0.000 2.198 302 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.257 302 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.257 302 G C 0.371 175.202 174.900 -0.114 0.000 1.042 302 G CA 0.329 45.355 45.100 -0.124 0.000 0.791 302 G HN 0.338 nan 8.290 nan 0.000 0.502 303 L N -0.323 120.823 121.223 -0.128 0.000 3.122 303 L HA 0.555 4.894 4.340 -0.001 0.000 0.274 303 L C 1.278 178.121 176.870 -0.045 0.000 1.222 303 L CA 0.141 54.926 54.840 -0.091 0.000 1.028 303 L CB 0.229 42.180 42.059 -0.180 0.000 1.386 303 L HN 1.152 nan 8.230 nan 0.000 0.578 304 G N -0.077 108.689 108.800 -0.056 0.000 2.663 304 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.686 304 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.686 304 G C -0.363 174.513 174.900 -0.040 0.000 1.288 304 G CA -0.879 44.201 45.100 -0.035 0.000 0.836 304 G HN -0.082 nan 8.290 nan 0.000 0.584 305 T N 3.654 118.193 114.554 -0.025 0.000 2.834 305 T HA 0.482 4.831 4.350 -0.001 0.000 0.298 305 T C -1.579 173.123 174.700 0.003 0.000 0.966 305 T CA 0.187 62.273 62.100 -0.023 0.000 1.141 305 T CB 1.130 69.992 68.868 -0.009 0.000 0.905 305 T HN 0.631 nan 8.240 nan 0.000 0.535 306 P HA 0.165 nan 4.420 nan 0.000 0.276 306 P C -0.526 176.889 177.300 0.192 0.000 1.243 306 P CA -0.278 62.867 63.100 0.074 0.000 0.768 306 P CB 0.767 32.440 31.700 -0.045 0.000 0.856 307 E N 3.087 123.415 120.200 0.212 0.000 2.073 307 E HA 0.434 4.783 4.350 -0.001 0.000 0.269 307 E C -0.360 176.337 176.600 0.162 0.000 0.917 307 E CA -0.914 55.597 56.400 0.184 0.000 0.757 307 E CB 0.891 30.652 29.700 0.102 0.000 1.111 307 E HN 0.493 nan 8.360 nan 0.000 0.410 308 A N 3.366 126.259 122.820 0.121 0.000 2.587 308 A HA 0.086 4.405 4.320 -0.001 0.000 0.233 308 A C 0.360 177.925 177.584 -0.032 0.000 1.049 308 A CA 0.194 52.036 52.037 -0.326 0.000 0.754 308 A CB 0.257 18.971 19.000 -0.477 0.000 0.977 308 A HN 0.658 nan 8.150 nan 0.000 0.509 309 V N 2.237 122.115 119.914 -0.059 0.000 2.439 309 V HA 0.608 4.728 4.120 -0.001 0.000 0.282 309 V C 0.241 176.405 176.094 0.117 0.000 1.039 309 V CA -0.909 61.418 62.300 0.046 0.000 0.913 309 V CB 0.980 32.796 31.823 -0.011 0.000 0.983 309 V HN 0.901 nan 8.190 nan 0.000 0.460 310 R N 3.707 124.224 120.500 0.027 0.000 2.500 310 R HA 0.816 5.155 4.340 -0.001 0.000 0.275 310 R C -0.181 176.029 176.300 -0.150 0.000 1.051 310 R CA 0.044 56.029 56.100 -0.192 0.000 1.088 310 R CB 1.762 31.893 30.300 -0.281 0.000 1.063 310 R HN 1.060 nan 8.270 nan 0.000 0.511 311 A N 1.601 124.296 122.820 -0.209 0.000 2.475 311 A HA 0.250 4.569 4.320 -0.001 0.000 0.301 311 A C -1.096 176.350 177.584 -0.230 0.000 1.059 311 A CA -0.758 51.177 52.037 -0.171 0.000 0.710 311 A CB 1.931 20.849 19.000 -0.137 0.000 1.288 311 A HN 0.457 nan 8.150 nan 0.000 0.408 312 Q N 0.841 120.508 119.800 -0.221 0.000 2.296 312 Q HA 0.512 4.852 4.340 -0.001 0.000 0.263 312 Q C -0.134 175.568 176.000 -0.498 0.000 1.026 312 Q CA 0.305 55.909 55.803 -0.332 0.000 0.912 312 Q CB 1.148 29.744 28.738 -0.238 0.000 1.198 312 Q HN 0.876 nan 8.270 nan 0.000 0.407 313 A N 4.161 126.622 122.820 -0.598 0.000 2.380 313 A HA 0.779 5.098 4.320 -0.001 0.000 0.315 313 A C -1.534 175.590 177.584 -0.765 0.000 1.101 313 A CA -0.532 51.161 52.037 -0.573 0.000 0.771 313 A CB 1.026 19.833 19.000 -0.321 0.000 1.287 313 A HN 0.624 nan 8.150 nan 0.000 0.436 314 Y N 0.128 120.408 120.300 -0.033 0.000 2.462 314 Y HA 0.554 5.104 4.550 -0.001 0.000 0.346 314 Y C 0.418 176.342 175.900 0.041 0.000 0.976 314 Y CA -0.661 57.468 58.100 0.049 0.000 1.044 314 Y CB 1.892 40.461 38.460 0.181 0.000 1.230 314 Y HN 0.612 nan 8.280 nan 0.000 0.455 315 R N 3.423 124.005 120.500 0.137 0.000 2.198 315 R HA 0.454 4.793 4.340 -0.001 0.000 0.339 315 R C -1.152 175.209 176.300 0.102 0.000 1.020 315 R CA -0.514 55.626 56.100 0.065 0.000 0.864 315 R CB 0.614 30.932 30.300 0.030 0.000 1.105 315 R HN 0.577 nan 8.270 nan 0.000 0.463 316 L N 2.405 123.667 121.223 0.065 0.000 2.349 316 L HA 0.157 4.496 4.340 -0.001 0.000 0.275 316 L C 0.820 177.840 176.870 0.250 0.000 1.115 316 L CA -0.426 54.502 54.840 0.146 0.000 0.820 316 L CB 1.146 43.265 42.059 0.100 0.000 1.135 316 L HN 0.693 nan 8.230 nan 0.000 0.445 317 S N 2.271 118.164 115.700 0.321 0.000 2.573 317 S HA 0.148 4.617 4.470 -0.001 0.000 0.297 317 S C -0.157 174.690 174.600 0.412 0.000 1.280 317 S CA -0.684 57.711 58.200 0.325 0.000 1.061 317 S CB 0.084 63.491 63.200 0.345 0.000 0.812 317 S HN 0.287 nan 8.310 nan 0.000 0.500 318 I N 3.719 124.441 120.570 0.253 0.000 2.638 318 I HA 0.330 4.499 4.170 -0.001 0.000 0.286 318 I C -1.898 174.162 176.117 -0.094 0.000 1.088 318 I CA -1.907 59.479 61.300 0.144 0.000 1.397 318 I CB -0.229 37.833 38.000 0.102 0.000 1.414 318 I HN 0.511 nan 8.210 nan 0.000 0.566 319 P HA 0.267 nan 4.420 nan 0.000 0.277 319 P C -1.367 175.756 177.300 -0.294 0.000 1.240 319 P CA -0.734 61.979 63.100 -0.645 0.000 0.798 319 P CB 0.467 31.601 31.700 -0.944 0.000 0.979 320 K N 1.981 122.251 120.400 -0.217 0.000 2.300 320 K HA 0.318 4.638 4.320 -0.001 0.000 0.264 320 K C -0.608 175.928 176.600 -0.106 0.000 1.083 320 K CA -0.796 55.428 56.287 -0.105 0.000 0.958 320 K CB 0.302 32.768 32.500 -0.057 0.000 1.318 320 K HN 0.259 nan 8.250 nan 0.000 0.448 321 L N 3.945 125.119 121.223 -0.082 0.000 2.360 321 L HA 0.277 4.616 4.340 -0.001 0.000 0.276 321 L C -0.536 176.313 176.870 -0.034 0.000 1.121 321 L CA 0.520 55.323 54.840 -0.062 0.000 0.845 321 L CB 0.403 42.461 42.059 -0.002 0.000 1.143 321 L HN 0.590 nan 8.230 nan 0.000 0.452 322 M N 3.721 123.288 119.600 -0.056 0.000 2.456 322 M HA 0.554 5.033 4.480 -0.001 0.000 0.324 322 M C 0.453 176.769 176.300 0.027 0.000 1.124 322 M CA -0.336 54.954 55.300 -0.017 0.000 0.959 322 M CB 2.059 34.637 32.600 -0.037 0.000 1.692 322 M HN 0.717 nan 8.290 nan 0.000 0.444 323 G N 0.526 109.384 108.800 0.096 0.000 2.710 323 G HA2 0.411 4.370 3.960 -0.001 0.000 0.198 323 G HA3 0.411 4.370 3.960 -0.001 0.000 0.198 323 G C 1.052 176.054 174.900 0.171 0.000 1.797 323 G CA 0.516 45.711 45.100 0.158 0.000 0.759 323 G HN 0.644 nan 8.290 nan 0.000 0.808 324 R N -0.439 120.108 120.500 0.077 0.000 2.048 324 R HA 0.635 4.974 4.340 -0.001 0.000 0.224 324 R C 1.879 178.210 176.300 0.050 0.000 1.163 324 R CA 2.426 58.547 56.100 0.036 0.000 0.956 324 R CB -1.389 28.892 30.300 -0.033 0.000 0.849 324 R HN 0.973 nan 8.270 nan 0.000 0.435 325 R N -0.853 119.667 120.500 0.033 0.000 3.112 325 R HA 0.851 5.191 4.340 -0.001 0.000 0.227 325 R C 0.808 177.129 176.300 0.034 0.000 1.519 325 R CA -0.035 56.084 56.100 0.033 0.000 1.051 325 R CB -0.223 30.086 30.300 0.016 0.000 1.652 325 R HN 1.257 nan 8.270 nan 0.000 0.517 326 A N -0.647 122.189 122.820 0.027 0.000 2.475 326 A HA 0.522 4.841 4.320 -0.001 0.000 0.239 326 A C 0.238 177.834 177.584 0.021 0.000 1.087 326 A CA 0.752 52.802 52.037 0.022 0.000 0.779 326 A CB 0.094 19.105 19.000 0.019 0.000 1.036 326 A HN 1.894 nan 8.150 nan 0.000 0.506 327 V N -0.051 119.876 119.914 0.020 0.000 3.177 327 V HA 0.429 4.548 4.120 -0.001 0.000 0.287 327 V C 0.800 176.915 176.094 0.035 0.000 1.465 327 V CA 0.283 62.597 62.300 0.023 0.000 1.020 327 V CB 2.030 33.865 31.823 0.021 0.000 1.152 327 V HN 1.649 nan 8.190 nan 0.000 0.448 328 S N 3.456 119.180 115.700 0.039 0.000 2.412 328 S HA 0.276 4.746 4.470 -0.001 0.000 0.223 328 S C 0.445 175.094 174.600 0.082 0.000 1.048 328 S CA 0.595 58.836 58.200 0.068 0.000 0.954 328 S CB -0.022 63.211 63.200 0.054 0.000 0.840 328 S HN 0.897 nan 8.310 nan 0.000 0.503 329 K N 0.535 120.929 120.400 -0.009 0.000 2.340 329 K HA 0.573 4.893 4.320 -0.001 0.000 0.244 329 K C -2.896 173.639 176.600 -0.109 0.000 0.973 329 K CA -2.315 53.905 56.287 -0.112 0.000 0.828 329 K CB 1.438 33.801 32.500 -0.229 0.000 1.226 329 K HN -0.233 nan 8.250 nan 0.000 0.437 330 P HA -0.224 nan 4.420 nan 0.000 0.216 330 P C 1.150 178.346 177.300 -0.174 0.000 1.150 330 P CA 1.899 64.923 63.100 -0.126 0.000 0.837 330 P CB 0.010 31.624 31.700 -0.143 0.000 0.786 331 A N 0.025 122.626 122.820 -0.364 0.000 1.978 331 A HA -0.248 4.071 4.320 -0.001 0.000 0.220 331 A C 1.952 179.458 177.584 -0.130 0.000 1.170 331 A CA 2.031 53.842 52.037 -0.378 0.000 0.636 331 A CB -1.403 17.076 19.000 -0.869 0.000 0.810 331 A HN 0.129 nan 8.150 nan 0.000 0.448 332 D N 0.199 120.544 120.400 -0.091 0.000 2.182 332 D HA -0.090 4.549 4.640 -0.001 0.000 0.201 332 D C 2.121 178.418 176.300 -0.004 0.000 0.986 332 D CA 1.325 55.312 54.000 -0.022 0.000 0.847 332 D CB -0.403 40.390 40.800 -0.012 0.000 0.942 332 D HN 0.476 nan 8.370 nan 0.000 0.467 333 A N 0.895 123.724 122.820 0.015 0.000 2.084 333 A HA -0.145 4.174 4.320 -0.001 0.000 0.221 333 A C 2.253 179.825 177.584 -0.020 0.000 1.161 333 A CA 0.718 52.781 52.037 0.043 0.000 0.653 333 A CB -0.778 18.329 19.000 0.180 0.000 0.802 333 A HN 0.260 nan 8.150 nan 0.000 0.457 334 L N -1.814 119.440 121.223 0.052 0.000 2.549 334 L HA -0.106 4.233 4.340 -0.001 0.000 0.229 334 L C 2.540 179.388 176.870 -0.036 0.000 1.158 334 L CA 0.876 55.743 54.840 0.045 0.000 0.842 334 L CB -0.307 41.840 42.059 0.146 0.000 0.952 334 L HN 0.401 nan 8.230 nan 0.000 0.452 335 R N -2.220 118.252 120.500 -0.047 0.000 2.350 335 R HA 0.098 4.438 4.340 -0.001 0.000 0.199 335 R C 2.032 178.289 176.300 -0.072 0.000 0.876 335 R CA 0.157 56.234 56.100 -0.039 0.000 1.062 335 R CB 0.278 30.582 30.300 0.007 0.000 1.263 335 R HN 0.029 nan 8.270 nan 0.000 0.641 336 V N 0.585 120.456 119.914 -0.071 0.000 2.407 336 V HA 0.122 4.242 4.120 -0.001 0.000 0.245 336 V C 0.956 176.974 176.094 -0.126 0.000 1.041 336 V CA 1.607 63.867 62.300 -0.067 0.000 1.040 336 V CB -0.032 31.773 31.823 -0.030 0.000 0.671 336 V HN 0.639 nan 8.190 nan 0.000 0.455 337 G N -1.359 107.309 108.800 -0.220 0.000 2.428 337 G HA2 0.002 3.961 3.960 -0.001 0.000 0.681 337 G HA3 0.002 3.961 3.960 -0.001 0.000 0.681 337 G C -0.757 173.994 174.900 -0.248 0.000 1.340 337 G CA -0.843 44.024 45.100 -0.389 0.000 0.915 337 G HN 0.121 nan 8.290 nan 0.000 0.645 338 F N 0.105 119.996 119.950 -0.098 0.000 2.378 338 F HA 0.482 5.008 4.527 -0.001 0.000 0.319 338 F C 1.637 177.439 175.800 0.003 0.000 1.155 338 F CA -0.481 57.475 58.000 -0.073 0.000 1.157 338 F CB 0.690 39.589 39.000 -0.169 0.000 1.252 338 F HN 0.647 nan 8.300 nan 0.000 0.550 339 Y N 2.024 122.412 120.300 0.145 0.000 2.113 339 Y HA 0.032 4.581 4.550 -0.001 0.000 0.269 339 Y C 1.527 177.461 175.900 0.058 0.000 1.098 339 Y CA 1.608 59.749 58.100 0.068 0.000 1.083 339 Y CB -0.580 37.908 38.460 0.046 0.000 0.997 339 Y HN 0.391 nan 8.280 nan 0.000 0.476 340 R N 0.729 121.131 120.500 -0.163 0.000 2.233 340 R HA 0.778 5.117 4.340 -0.001 0.000 0.334 340 R C -0.532 175.740 176.300 -0.046 0.000 1.037 340 R CA -0.154 55.797 56.100 -0.247 0.000 0.920 340 R CB -0.601 29.575 30.300 -0.207 0.000 1.137 340 R HN 0.703 nan 8.270 nan 0.000 0.492 341 A N 2.863 125.668 122.820 -0.025 0.000 2.309 341 A HA 0.480 4.800 4.320 -0.001 0.000 0.290 341 A C 0.209 177.816 177.584 0.039 0.000 1.206 341 A CA -0.471 51.590 52.037 0.040 0.000 0.850 341 A CB 0.471 19.498 19.000 0.045 0.000 1.118 341 A HN 0.808 nan 8.150 nan 0.000 0.523 342 Q N 0.976 120.816 119.800 0.066 0.000 3.052 342 Q HA 0.416 4.755 4.340 -0.001 0.000 0.218 342 Q C -0.222 175.864 176.000 0.142 0.000 1.162 342 Q CA -0.005 55.843 55.803 0.076 0.000 0.379 342 Q CB 0.249 29.027 28.738 0.067 0.000 5.651 342 Q HN 0.826 nan 8.270 nan 0.000 0.323 343 E N 0.099 120.389 120.200 0.150 0.000 2.343 343 E HA 0.349 4.698 4.350 -0.001 0.000 0.286 343 E C -1.516 175.150 176.600 0.110 0.000 0.915 343 E CA 0.020 56.508 56.400 0.147 0.000 0.784 343 E CB 1.724 31.467 29.700 0.071 0.000 1.251 343 E HN 0.458 nan 8.360 nan 0.000 0.407 344 T N 0.810 115.414 114.554 0.083 0.000 2.865 344 T HA 0.797 5.147 4.350 -0.001 0.000 0.294 344 T C -1.169 173.450 174.700 -0.134 0.000 1.119 344 T CA -0.693 61.413 62.100 0.010 0.000 1.007 344 T CB 1.729 70.664 68.868 0.112 0.000 1.225 344 T HN 0.465 nan 8.240 nan 0.000 0.515 345 A N 1.558 124.302 122.820 -0.127 0.000 2.353 345 A HA 0.769 5.089 4.320 -0.001 0.000 0.299 345 A C -1.583 175.919 177.584 -0.137 0.000 1.089 345 A CA -0.488 51.413 52.037 -0.226 0.000 0.736 345 A CB 0.429 19.270 19.000 -0.266 0.000 1.195 345 A HN 0.532 nan 8.150 nan 0.000 0.447 346 L N 1.514 122.666 121.223 -0.118 0.000 2.342 346 L HA 0.845 5.185 4.340 -0.001 0.000 0.271 346 L C 0.461 177.435 176.870 0.174 0.000 1.008 346 L CA -0.093 54.777 54.840 0.049 0.000 0.818 346 L CB 1.935 44.064 42.059 0.117 0.000 1.296 346 L HN 0.846 nan 8.230 nan 0.000 0.427 347 A N 2.398 125.326 122.820 0.180 0.000 2.350 347 A HA 0.815 5.134 4.320 -0.001 0.000 0.324 347 A C -1.389 176.223 177.584 0.046 0.000 1.118 347 A CA -0.486 51.653 52.037 0.170 0.000 0.783 347 A CB 1.284 20.335 19.000 0.085 0.000 1.236 347 A HN 0.598 nan 8.150 nan 0.000 0.457 348 L N 2.808 123.944 121.223 -0.145 0.000 2.298 348 L HA 0.681 5.020 4.340 -0.001 0.000 0.284 348 L C -1.228 175.466 176.870 -0.294 0.000 1.013 348 L CA -0.590 53.948 54.840 -0.505 0.000 0.824 348 L CB 1.377 42.586 42.059 -1.416 0.000 1.221 348 L HN 0.628 nan 8.230 nan 0.000 0.418 349 L N 5.698 126.811 121.223 -0.183 0.000 2.280 349 L HA 0.594 4.934 4.340 -0.001 0.000 0.287 349 L C -0.669 176.142 176.870 -0.099 0.000 1.023 349 L CA -0.124 54.669 54.840 -0.077 0.000 0.819 349 L CB 0.864 42.944 42.059 0.035 0.000 1.212 349 L HN 0.614 nan 8.230 nan 0.000 0.420 350 R N 5.726 126.164 120.500 -0.104 0.000 2.346 350 R HA 0.482 4.822 4.340 -0.001 0.000 0.311 350 R C -0.279 175.988 176.300 -0.055 0.000 0.983 350 R CA -0.550 55.492 56.100 -0.097 0.000 0.880 350 R CB 1.389 31.615 30.300 -0.124 0.000 1.100 350 R HN 0.734 nan 8.270 nan 0.000 0.453 351 L N 2.576 123.771 121.223 -0.047 0.000 3.110 351 L HA 0.149 4.488 4.340 -0.001 0.000 0.266 351 L C 0.119 176.967 176.870 -0.038 0.000 1.257 351 L CA -0.194 54.620 54.840 -0.043 0.000 1.038 351 L CB -0.270 41.763 42.059 -0.043 0.000 1.395 351 L HN 0.682 nan 8.230 nan 0.000 0.566 352 D N -0.942 119.437 120.400 -0.036 0.000 2.535 352 D HA 0.180 4.819 4.640 -0.001 0.000 0.240 352 D C 1.079 177.362 176.300 -0.028 0.000 1.200 352 D CA -0.155 53.828 54.000 -0.027 0.000 1.088 352 D CB 0.613 41.401 40.800 -0.022 0.000 1.197 352 D HN -0.113 nan 8.370 nan 0.000 0.620 353 G N -1.124 107.663 108.800 -0.022 0.000 3.337 353 G HA2 0.486 4.446 3.960 -0.001 0.000 0.246 353 G HA3 0.486 4.446 3.960 -0.001 0.000 0.246 353 G C 0.359 175.246 174.900 -0.022 0.000 1.131 353 G CA 0.417 45.505 45.100 -0.021 0.000 0.773 353 G HN 0.636 nan 8.290 nan 0.000 0.544 354 A N -1.478 121.323 122.820 -0.030 0.000 2.806 354 A HA 0.832 5.152 4.320 -0.001 0.000 0.254 354 A C 0.937 178.495 177.584 -0.044 0.000 1.437 354 A CA 0.772 52.788 52.037 -0.034 0.000 0.903 354 A CB 0.479 19.457 19.000 -0.037 0.000 1.609 354 A HN 0.694 nan 8.150 nan 0.000 0.505 355 Q N -2.254 117.516 119.800 -0.050 0.000 2.046 355 Q HA 0.479 4.818 4.340 -0.001 0.000 0.226 355 Q C 0.545 176.501 176.000 -0.072 0.000 0.755 355 Q CA 0.990 56.761 55.803 -0.054 0.000 0.924 355 Q CB 0.169 28.890 28.738 -0.028 0.000 1.188 355 Q HN 2.010 nan 8.270 nan 0.000 0.450 356 G N -1.327 107.426 108.800 -0.080 0.000 3.086 356 G HA2 0.548 4.508 3.960 -0.001 0.000 0.282 356 G HA3 0.548 4.508 3.960 -0.001 0.000 0.282 356 G C -1.527 173.286 174.900 -0.144 0.000 1.343 356 G CA -0.830 44.226 45.100 -0.074 0.000 0.895 356 G HN 0.256 nan 8.290 nan 0.000 0.557 357 W N 0.776 122.006 121.300 -0.116 0.000 2.311 357 W HA 0.478 5.138 4.660 -0.001 0.000 0.310 357 W C -2.049 174.302 176.519 -0.281 0.000 1.274 357 W CA -1.537 55.697 57.345 -0.185 0.000 1.215 357 W CB 0.496 29.855 29.460 -0.168 0.000 1.227 357 W HN 0.143 nan 8.180 nan 0.000 0.523 358 P HA 0.051 nan 4.420 nan 0.000 0.261 358 P C 1.130 178.054 177.300 -0.626 0.000 1.203 358 P CA 0.908 63.673 63.100 -0.558 0.000 0.767 358 P CB 0.448 31.493 31.700 -1.093 0.000 0.785 359 E N 4.158 124.210 120.200 -0.248 0.000 2.257 359 E HA -0.327 4.023 4.350 -0.001 0.000 0.229 359 E C 1.422 177.940 176.600 -0.138 0.000 1.089 359 E CA 2.715 59.052 56.400 -0.105 0.000 0.947 359 E CB -2.058 27.663 29.700 0.034 0.000 0.808 359 E HN 0.650 nan 8.360 nan 0.000 0.471 360 F N 0.131 119.992 119.950 -0.149 0.000 2.069 360 F HA 0.025 4.552 4.527 -0.001 0.000 0.298 360 F C 2.342 177.961 175.800 -0.302 0.000 1.113 360 F CA 1.237 59.091 58.000 -0.243 0.000 1.214 360 F CB -1.269 37.492 39.000 -0.398 0.000 0.978 360 F HN 0.189 nan 8.300 nan 0.000 0.474 361 L N 0.561 121.302 121.223 -0.803 0.000 1.997 361 L HA -0.226 4.113 4.340 -0.001 0.000 0.216 361 L C 2.844 179.632 176.870 -0.138 0.000 1.074 361 L CA 1.841 56.431 54.840 -0.417 0.000 0.763 361 L CB -1.139 40.692 42.059 -0.380 0.000 0.890 361 L HN 0.276 nan 8.230 nan 0.000 0.434 362 R N -0.919 119.479 120.500 -0.169 0.000 2.082 362 R HA -0.177 4.162 4.340 -0.001 0.000 0.234 362 R C 2.374 178.569 176.300 -0.175 0.000 1.136 362 R CA 1.490 57.430 56.100 -0.267 0.000 0.935 362 R CB -0.119 30.009 30.300 -0.287 0.000 0.842 362 R HN 0.279 nan 8.270 nan 0.000 0.430 363 R N 0.134 120.576 120.500 -0.096 0.000 2.091 363 R HA -0.119 4.220 4.340 -0.001 0.000 0.238 363 R C 2.222 178.542 176.300 0.032 0.000 1.136 363 R CA 1.429 57.512 56.100 -0.029 0.000 0.959 363 R CB -0.952 29.355 30.300 0.012 0.000 0.856 363 R HN 0.349 nan 8.270 nan 0.000 0.437 364 A N 1.440 124.313 122.820 0.087 0.000 1.908 364 A HA -0.135 4.185 4.320 -0.001 0.000 0.218 364 A C 2.435 180.124 177.584 0.176 0.000 1.181 364 A CA 1.203 53.353 52.037 0.189 0.000 0.627 364 A CB -0.605 18.609 19.000 0.357 0.000 0.818 364 A HN 0.193 nan 8.150 nan 0.000 0.445 365 L N -1.355 119.953 121.223 0.142 0.000 2.005 365 L HA -0.178 4.161 4.340 -0.001 0.000 0.207 365 L C 2.539 179.522 176.870 0.188 0.000 1.072 365 L CA 0.993 55.952 54.840 0.199 0.000 0.744 365 L CB -0.457 41.632 42.059 0.049 0.000 0.895 365 L HN 0.321 nan 8.230 nan 0.000 0.433 366 L N -0.064 121.169 121.223 0.017 0.000 2.012 366 L HA -0.243 4.097 4.340 -0.001 0.000 0.210 366 L C 2.720 179.626 176.870 0.061 0.000 1.073 366 L CA 1.872 56.709 54.840 -0.005 0.000 0.748 366 L CB -0.804 41.211 42.059 -0.073 0.000 0.891 366 L HN 0.246 nan 8.230 nan 0.000 0.431 367 R N -0.211 120.319 120.500 0.050 0.000 2.083 367 R HA -0.177 4.162 4.340 -0.001 0.000 0.237 367 R C 2.186 178.485 176.300 -0.001 0.000 1.137 367 R CA 1.620 57.737 56.100 0.029 0.000 0.951 367 R CB -0.547 29.777 30.300 0.040 0.000 0.851 367 R HN 0.280 nan 8.270 nan 0.000 0.434 368 A N 0.608 123.447 122.820 0.032 0.000 1.852 368 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 368 A C 2.085 179.466 177.584 -0.338 0.000 1.215 368 A CA 1.899 53.844 52.037 -0.153 0.000 0.641 368 A CB -1.121 17.950 19.000 0.117 0.000 0.838 368 A HN 0.455 nan 8.150 nan 0.000 0.450 369 F N 0.356 120.208 119.950 -0.165 0.000 2.186 369 F HA 0.032 4.558 4.527 -0.001 0.000 0.299 369 F C 2.629 178.359 175.800 -0.118 0.000 1.090 369 F CA 0.659 58.598 58.000 -0.103 0.000 1.307 369 F CB -1.145 37.866 39.000 0.018 0.000 1.019 369 F HN 0.297 nan 8.300 nan 0.000 0.489 370 G N 0.160 109.014 108.800 0.089 0.000 2.679 370 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.217 370 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.217 370 G C 1.743 176.621 174.900 -0.036 0.000 1.267 370 G CA 1.059 46.170 45.100 0.020 0.000 0.799 370 G HN 0.451 nan 8.290 nan 0.000 0.606 371 A N -0.700 122.070 122.820 -0.083 0.000 2.263 371 A HA 0.405 4.725 4.320 -0.001 0.000 0.205 371 A C 1.308 178.796 177.584 -0.159 0.000 1.226 371 A CA 1.372 53.346 52.037 -0.106 0.000 0.810 371 A CB -0.277 18.657 19.000 -0.111 0.000 0.784 371 A HN 0.658 nan 8.150 nan 0.000 0.486 372 S N -0.628 114.961 115.700 -0.184 0.000 2.383 372 S HA 0.505 4.974 4.470 -0.001 0.000 0.196 372 S C 0.535 175.079 174.600 -0.093 0.000 1.364 372 S CA 0.386 58.450 58.200 -0.226 0.000 1.212 372 S CB -0.654 62.193 63.200 -0.589 0.000 1.171 372 S HN 1.956 nan 8.310 nan 0.000 0.456 373 G N 3.358 112.133 108.800 -0.042 0.000 2.581 373 G HA2 0.017 3.976 3.960 -0.001 0.000 0.289 373 G HA3 0.017 3.976 3.960 -0.001 0.000 0.289 373 G C 0.596 175.531 174.900 0.060 0.000 1.303 373 G CA -0.121 44.982 45.100 0.005 0.000 0.931 373 G HN 1.880 nan 8.290 nan 0.000 0.555 374 A N -0.875 121.993 122.820 0.080 0.000 2.599 374 A HA 0.585 4.905 4.320 -0.001 0.000 0.240 374 A C 1.325 179.017 177.584 0.180 0.000 1.109 374 A CA 2.038 54.137 52.037 0.103 0.000 0.798 374 A CB -0.710 18.345 19.000 0.091 0.000 1.050 374 A HN 2.694 nan 8.150 nan 0.000 0.518 375 S N -0.873 114.889 115.700 0.103 0.000 2.707 375 S HA 0.704 5.174 4.470 -0.001 0.000 0.276 375 S C 0.089 174.649 174.600 -0.067 0.000 1.179 375 S CA -0.080 58.149 58.200 0.048 0.000 0.992 375 S CB 0.237 63.427 63.200 -0.016 0.000 1.030 375 S HN 1.762 nan 8.310 nan 0.000 0.554 376 L N -1.609 119.427 121.223 -0.311 0.000 2.279 376 L HA 0.959 5.298 4.340 -0.001 0.000 0.262 376 L C -0.822 175.836 176.870 -0.353 0.000 1.019 376 L CA -1.169 53.375 54.840 -0.493 0.000 0.823 376 L CB 1.909 43.280 42.059 -1.147 0.000 1.358 376 L HN 0.651 nan 8.230 nan 0.000 0.432 377 R N 1.411 121.706 120.500 -0.343 0.000 2.575 377 R HA 0.657 4.997 4.340 -0.001 0.000 0.293 377 R C -1.526 174.563 176.300 -0.350 0.000 0.983 377 R CA -0.670 55.258 56.100 -0.287 0.000 0.887 377 R CB 2.338 32.498 30.300 -0.232 0.000 1.184 377 R HN 0.597 nan 8.270 nan 0.000 0.445 378 L N 3.912 124.984 121.223 -0.252 0.000 2.276 378 L HA 0.462 4.801 4.340 -0.001 0.000 0.286 378 L C -0.024 176.958 176.870 0.187 0.000 1.024 378 L CA -0.508 54.227 54.840 -0.176 0.000 0.826 378 L CB 0.888 42.602 42.059 -0.576 0.000 1.211 378 L HN 0.546 nan 8.230 nan 0.000 0.422 379 H N 1.055 120.222 119.070 0.162 0.000 2.559 379 H HA 0.587 5.143 4.556 -0.001 0.000 0.343 379 H C -0.517 174.948 175.328 0.227 0.000 1.209 379 H CA -0.859 55.281 56.048 0.153 0.000 1.287 379 H CB 2.122 31.928 29.762 0.072 0.000 1.650 379 H HN 0.435 nan 8.280 nan 0.000 0.567 380 T N 1.433 116.132 114.554 0.243 0.000 2.916 380 T HA 0.302 4.651 4.350 -0.001 0.000 0.292 380 T C -0.351 174.371 174.700 0.036 0.000 1.055 380 T CA -0.862 61.299 62.100 0.101 0.000 1.009 380 T CB 1.223 70.128 68.868 0.061 0.000 1.118 380 T HN 0.237 nan 8.240 nan 0.000 0.497 381 L N 2.915 124.134 121.223 -0.008 0.000 2.260 381 L HA 0.401 4.740 4.340 -0.001 0.000 0.289 381 L C 2.122 178.993 176.870 0.001 0.000 1.057 381 L CA -0.403 54.430 54.840 -0.013 0.000 0.811 381 L CB 0.229 42.284 42.059 -0.006 0.000 1.184 381 L HN 1.139 nan 8.230 nan 0.000 0.429 382 H N 3.448 122.516 119.070 -0.004 0.000 2.274 382 H HA 0.132 4.687 4.556 -0.001 0.000 0.296 382 H C 1.272 176.620 175.328 0.033 0.000 1.061 382 H CA 1.168 57.219 56.048 0.005 0.000 1.226 382 H CB -0.202 29.557 29.762 -0.006 0.000 1.370 382 H HN 0.762 nan 8.280 nan 0.000 0.507 383 A N 0.302 123.159 122.820 0.062 0.000 2.406 383 A HA 0.566 4.885 4.320 -0.001 0.000 0.243 383 A C 0.722 178.440 177.584 0.223 0.000 1.082 383 A CA 0.603 52.717 52.037 0.128 0.000 0.786 383 A CB -1.128 17.966 19.000 0.157 0.000 1.029 383 A HN 1.494 nan 8.150 nan 0.000 0.495 384 H N -0.617 118.541 119.070 0.147 0.000 2.544 384 H HA 0.621 5.176 4.556 -0.001 0.000 0.365 384 H C -0.853 174.381 175.328 -0.157 0.000 1.268 384 H CA -0.980 55.093 56.048 0.042 0.000 1.400 384 H CB -0.500 29.242 29.762 -0.034 0.000 1.538 384 H HN 0.752 nan 8.280 nan 0.000 0.597 385 P HA -0.119 nan 4.420 nan 0.000 0.217 385 P C 2.191 178.990 177.300 -0.835 0.000 1.150 385 P CA 3.338 65.574 63.100 -1.439 0.000 0.832 385 P CB -0.606 30.556 31.700 -0.896 0.000 0.787 386 S N -0.921 114.548 115.700 -0.385 0.000 2.353 386 S HA -0.100 4.370 4.470 -0.001 0.000 0.222 386 S C 2.345 176.878 174.600 -0.112 0.000 1.035 386 S CA 2.574 60.651 58.200 -0.205 0.000 1.025 386 S CB -1.584 61.536 63.200 -0.133 0.000 0.902 386 S HN 0.536 nan 8.310 nan 0.000 0.440 387 Q N 1.185 120.949 119.800 -0.060 0.000 2.633 387 Q HA 0.331 4.670 4.340 -0.001 0.000 0.214 387 Q C 2.273 178.297 176.000 0.040 0.000 0.951 387 Q CA 1.470 57.275 55.803 0.003 0.000 1.017 387 Q CB -2.246 26.509 28.738 0.028 0.000 1.014 387 Q HN 1.768 nan 8.270 nan 0.000 0.591 388 G N -0.807 108.013 108.800 0.033 0.000 2.690 388 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.362 388 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.362 388 G C 1.772 176.740 174.900 0.114 0.000 1.132 388 G CA 2.642 47.784 45.100 0.070 0.000 0.922 388 G HN 1.760 nan 8.290 nan 0.000 0.595 389 L N -0.583 120.680 121.223 0.067 0.000 2.010 389 L HA 0.178 4.518 4.340 -0.001 0.000 0.219 389 L C 3.688 180.596 176.870 0.064 0.000 1.077 389 L CA 4.576 59.449 54.840 0.054 0.000 0.773 389 L CB -2.004 40.074 42.059 0.031 0.000 0.892 389 L HN 2.135 nan 8.230 nan 0.000 0.436 390 A N -1.464 121.399 122.820 0.072 0.000 1.883 390 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 390 A C 2.329 179.980 177.584 0.111 0.000 1.186 390 A CA 1.881 53.961 52.037 0.072 0.000 0.624 390 A CB -0.801 18.240 19.000 0.068 0.000 0.822 390 A HN 0.949 nan 8.150 nan 0.000 0.444 391 F N 0.961 120.904 119.950 -0.013 0.000 2.010 391 F HA -0.159 4.368 4.527 -0.001 0.000 0.296 391 F C 2.854 178.648 175.800 -0.010 0.000 1.146 391 F CA 2.752 60.744 58.000 -0.013 0.000 1.181 391 F CB -0.889 38.103 39.000 -0.015 0.000 0.965 391 F HN 0.275 nan 8.300 nan 0.000 0.480 392 R N 0.564 121.076 120.500 0.019 0.000 2.371 392 R HA -0.050 4.289 4.340 -0.001 0.000 0.226 392 R C 1.858 178.095 176.300 -0.105 0.000 1.132 392 R CA 1.984 58.024 56.100 -0.101 0.000 1.027 392 R CB -2.422 27.890 30.300 0.020 0.000 0.848 392 R HN 0.657 nan 8.270 nan 0.000 0.479 393 E N -0.040 120.118 120.200 -0.069 0.000 2.016 393 E HA 0.219 4.568 4.350 -0.001 0.000 0.190 393 E C 2.578 179.127 176.600 -0.085 0.000 0.985 393 E CA 1.294 57.662 56.400 -0.053 0.000 0.802 393 E CB -0.933 28.755 29.700 -0.021 0.000 0.762 393 E HN 0.862 nan 8.360 nan 0.000 0.448 394 A N 0.329 123.081 122.820 -0.114 0.000 2.070 394 A HA 0.065 4.384 4.320 -0.001 0.000 0.220 394 A C 2.451 179.946 177.584 -0.148 0.000 1.159 394 A CA 1.322 53.288 52.037 -0.118 0.000 0.656 394 A CB -0.495 18.433 19.000 -0.119 0.000 0.800 394 A HN 0.463 nan 8.150 nan 0.000 0.453 395 L N -0.978 120.112 121.223 -0.221 0.000 1.955 395 L HA -0.278 4.061 4.340 -0.001 0.000 0.213 395 L C 3.336 180.143 176.870 -0.105 0.000 1.072 395 L CA 2.123 56.840 54.840 -0.204 0.000 0.755 395 L CB -0.838 41.074 42.059 -0.245 0.000 0.888 395 L HN 0.520 nan 8.230 nan 0.000 0.432 396 R N 0.654 121.105 120.500 -0.082 0.000 2.115 396 R HA -0.121 4.219 4.340 -0.001 0.000 0.230 396 R C 2.417 178.695 176.300 -0.036 0.000 1.111 396 R CA 1.902 57.974 56.100 -0.047 0.000 0.976 396 R CB -1.642 28.636 30.300 -0.037 0.000 0.870 396 R HN 0.495 nan 8.270 nan 0.000 0.445 397 K N 0.313 120.686 120.400 -0.046 0.000 2.103 397 K HA 0.247 4.566 4.320 -0.001 0.000 0.207 397 K C 2.608 179.197 176.600 -0.019 0.000 1.048 397 K CA 1.778 58.044 56.287 -0.035 0.000 0.930 397 K CB -1.003 31.469 32.500 -0.046 0.000 0.716 397 K HN 0.779 nan 8.250 nan 0.000 0.444 398 A N 0.663 123.471 122.820 -0.021 0.000 1.970 398 A HA 0.199 4.519 4.320 -0.001 0.000 0.216 398 A C 2.624 180.233 177.584 0.042 0.000 1.170 398 A CA 2.099 54.152 52.037 0.027 0.000 0.645 398 A CB -0.536 18.469 19.000 0.009 0.000 0.816 398 A HN 0.641 nan 8.150 nan 0.000 0.447 399 K N -0.685 119.719 120.400 0.007 0.000 2.057 399 K HA 0.009 4.329 4.320 -0.001 0.000 0.206 399 K C 1.933 178.544 176.600 0.019 0.000 1.050 399 K CA 1.997 58.289 56.287 0.009 0.000 0.935 399 K CB -1.601 30.895 32.500 -0.007 0.000 0.715 399 K HN 0.767 nan 8.250 nan 0.000 0.439 400 E N 0.262 120.470 120.200 0.013 0.000 2.515 400 E HA 0.177 4.526 4.350 -0.001 0.000 0.201 400 E C 1.537 178.156 176.600 0.032 0.000 1.071 400 E CA 1.257 57.666 56.400 0.015 0.000 0.880 400 E CB -0.916 28.787 29.700 0.004 0.000 0.828 400 E HN 0.884 nan 8.360 nan 0.000 0.540 401 E N -1.520 118.716 120.200 0.060 0.000 2.660 401 E HA 0.506 4.856 4.350 -0.001 0.000 0.216 401 E C 1.530 178.202 176.600 0.121 0.000 0.986 401 E CA 0.815 57.282 56.400 0.111 0.000 1.037 401 E CB -0.478 29.314 29.700 0.153 0.000 1.041 401 E HN 1.224 nan 8.360 nan 0.000 0.480 402 G N -0.466 108.369 108.800 0.058 0.000 2.349 402 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.213 402 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.213 402 G C 0.930 175.828 174.900 -0.003 0.000 1.044 402 G CA -0.124 44.986 45.100 0.018 0.000 0.633 402 G HN 1.075 nan 8.290 nan 0.000 0.506 403 V N 2.640 122.552 119.914 -0.002 0.000 2.890 403 V HA -0.123 3.997 4.120 -0.001 0.000 0.294 403 V C 1.618 177.717 176.094 0.008 0.000 1.165 403 V CA 2.113 64.408 62.300 -0.008 0.000 1.302 403 V CB 0.606 32.450 31.823 0.035 0.000 0.820 403 V HN 0.682 nan 8.190 nan 0.000 0.468 404 Q N 3.379 123.185 119.800 0.009 0.000 2.392 404 Q HA 0.444 4.784 4.340 -0.001 0.000 0.219 404 Q C 0.574 176.598 176.000 0.040 0.000 0.895 404 Q CA 0.916 56.736 55.803 0.029 0.000 0.929 404 Q CB 1.001 29.760 28.738 0.035 0.000 1.077 404 Q HN 0.914 nan 8.270 nan 0.000 0.532 405 A N 0.319 123.164 122.820 0.042 0.000 2.609 405 A HA 0.643 4.962 4.320 -0.001 0.000 0.291 405 A C -1.318 176.301 177.584 0.058 0.000 1.096 405 A CA -0.541 51.527 52.037 0.051 0.000 0.684 405 A CB 1.720 20.756 19.000 0.060 0.000 1.282 405 A HN -0.033 nan 8.150 nan 0.000 0.412 406 V N 0.886 120.832 119.914 0.053 0.000 2.680 406 V HA 0.604 4.724 4.120 -0.001 0.000 0.309 406 V C -0.975 175.145 176.094 0.044 0.000 1.052 406 V CA -0.616 61.711 62.300 0.046 0.000 0.908 406 V CB 1.597 33.436 31.823 0.026 0.000 1.001 406 V HN 0.857 nan 8.190 nan 0.000 0.431 407 L N 5.248 126.480 121.223 0.016 0.000 2.282 407 L HA 0.690 5.029 4.340 -0.001 0.000 0.288 407 L C -0.499 176.334 176.870 -0.062 0.000 1.033 407 L CA -0.059 54.778 54.840 -0.006 0.000 0.807 407 L CB 1.661 43.709 42.059 -0.019 0.000 1.209 407 L HN 0.457 nan 8.230 nan 0.000 0.423 408 V N 6.963 126.864 119.914 -0.021 0.000 2.326 408 V HA 0.362 4.481 4.120 -0.001 0.000 0.281 408 V C -0.017 176.061 176.094 -0.026 0.000 1.015 408 V CA -0.533 61.752 62.300 -0.025 0.000 0.823 408 V CB 1.246 33.079 31.823 0.017 0.000 1.009 408 V HN 0.567 nan 8.190 nan 0.000 0.436 409 L N 4.963 126.147 121.223 -0.065 0.000 2.268 409 L HA 0.627 4.966 4.340 -0.001 0.000 0.289 409 L C 0.315 177.166 176.870 -0.031 0.000 1.064 409 L CA 0.414 55.225 54.840 -0.048 0.000 0.824 409 L CB 1.248 43.252 42.059 -0.092 0.000 1.202 409 L HN 0.736 nan 8.230 nan 0.000 0.433 410 T N 3.763 118.314 114.554 -0.004 0.000 2.816 410 T HA 0.565 4.915 4.350 -0.001 0.000 0.299 410 T C -2.777 171.930 174.700 0.013 0.000 1.230 410 T CA -1.658 60.441 62.100 -0.002 0.000 1.007 410 T CB 2.355 71.222 68.868 -0.002 0.000 1.289 410 T HN 0.097 nan 8.240 nan 0.000 0.508 411 P HA 0.406 nan 4.420 nan 0.000 0.274 411 P C -2.621 174.694 177.300 0.025 0.000 1.256 411 P CA -1.244 61.867 63.100 0.018 0.000 0.795 411 P CB -0.304 31.402 31.700 0.010 0.000 1.038 412 P HA 0.067 nan 4.420 nan 0.000 0.266 412 P C -0.644 176.680 177.300 0.040 0.000 1.193 412 P CA 1.099 64.225 63.100 0.043 0.000 0.770 412 P CB 0.133 31.860 31.700 0.045 0.000 0.836 413 M N 1.781 121.412 119.600 0.053 0.000 2.321 413 M HA 0.512 4.991 4.480 -0.001 0.000 0.315 413 M C -0.086 176.262 176.300 0.080 0.000 1.052 413 M CA -0.963 54.366 55.300 0.048 0.000 0.936 413 M CB 2.190 34.814 32.600 0.041 0.000 1.639 413 M HN 0.216 nan 8.290 nan 0.000 0.433 414 A N 3.413 126.269 122.820 0.060 0.000 2.520 414 A HA 0.059 4.379 4.320 -0.001 0.000 0.245 414 A C 0.939 178.580 177.584 0.095 0.000 1.072 414 A CA -0.305 51.786 52.037 0.089 0.000 0.761 414 A CB -0.117 18.889 19.000 0.010 0.000 1.004 414 A HN 1.162 nan 8.150 nan 0.000 0.499 415 W N 2.382 123.687 121.300 0.008 0.000 2.436 415 W HA -0.175 4.484 4.660 -0.001 0.000 0.261 415 W C 1.045 177.568 176.519 0.006 0.000 1.222 415 W CA 1.454 58.805 57.345 0.009 0.000 1.191 415 W CB -1.345 28.121 29.460 0.011 0.000 1.132 415 W HN 0.819 nan 8.180 nan 0.000 0.596 416 E N 1.791 121.681 120.200 -0.516 0.000 2.047 416 E HA -0.203 4.147 4.350 -0.001 0.000 0.191 416 E C 1.799 178.262 176.600 -0.228 0.000 0.987 416 E CA 2.637 58.720 56.400 -0.529 0.000 0.799 416 E CB -1.407 28.026 29.700 -0.446 0.000 0.752 416 E HN 0.592 nan 8.360 nan 0.000 0.449 417 D N 0.210 120.533 120.400 -0.129 0.000 2.213 417 D HA -0.048 4.591 4.640 -0.001 0.000 0.205 417 D C 2.174 178.463 176.300 -0.018 0.000 0.961 417 D CA 1.029 54.988 54.000 -0.068 0.000 0.853 417 D CB -0.401 40.366 40.800 -0.054 0.000 0.967 417 D HN 0.249 nan 8.370 nan 0.000 0.496 418 R N 0.780 121.297 120.500 0.028 0.000 2.083 418 R HA -0.148 4.192 4.340 -0.001 0.000 0.237 418 R C 1.759 178.112 176.300 0.088 0.000 1.137 418 R CA 1.633 57.782 56.100 0.081 0.000 0.951 418 R CB -0.623 29.770 30.300 0.155 0.000 0.851 418 R HN 0.349 nan 8.270 nan 0.000 0.434 419 N N 0.666 119.425 118.700 0.098 0.000 2.188 419 N HA -0.164 4.575 4.740 -0.001 0.000 0.184 419 N C 1.922 177.462 175.510 0.050 0.000 1.018 419 N CA 0.806 53.917 53.050 0.101 0.000 0.858 419 N CB -0.343 38.224 38.487 0.134 0.000 0.989 419 N HN 0.302 nan 8.380 nan 0.000 0.426 420 R N 0.752 121.258 120.500 0.010 0.000 2.081 420 R HA -0.095 4.244 4.340 -0.001 0.000 0.235 420 R C 2.171 178.485 176.300 0.022 0.000 1.131 420 R CA 0.939 57.039 56.100 0.001 0.000 0.960 420 R CB -0.325 29.958 30.300 -0.029 0.000 0.856 420 R HN 0.073 nan 8.270 nan 0.000 0.436 421 L N 1.515 122.754 121.223 0.027 0.000 1.989 421 L HA -0.181 4.158 4.340 -0.001 0.000 0.211 421 L C 1.927 178.839 176.870 0.071 0.000 1.071 421 L CA 1.941 56.812 54.840 0.051 0.000 0.749 421 L CB -0.375 41.709 42.059 0.041 0.000 0.890 421 L HN 0.079 nan 8.230 nan 0.000 0.431 422 K N -0.846 119.594 120.400 0.067 0.000 2.057 422 K HA -0.106 4.213 4.320 -0.001 0.000 0.207 422 K C 2.057 178.685 176.600 0.046 0.000 1.049 422 K CA 1.282 57.609 56.287 0.068 0.000 0.931 422 K CB -0.377 32.176 32.500 0.088 0.000 0.714 422 K HN 0.482 nan 8.250 nan 0.000 0.440 423 A N 1.499 124.344 122.820 0.043 0.000 1.902 423 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 423 A C 2.094 179.685 177.584 0.012 0.000 1.181 423 A CA 1.174 53.223 52.037 0.020 0.000 0.623 423 A CB -0.531 18.484 19.000 0.025 0.000 0.818 423 A HN 0.244 nan 8.150 nan 0.000 0.443 424 L N -0.014 121.229 121.223 0.034 0.000 1.948 424 L HA -0.145 4.194 4.340 -0.001 0.000 0.212 424 L C 2.376 179.270 176.870 0.040 0.000 1.074 424 L CA 2.018 56.887 54.840 0.048 0.000 0.753 424 L CB -0.722 41.391 42.059 0.091 0.000 0.888 424 L HN 0.416 nan 8.230 nan 0.000 0.432 425 L N -1.075 120.183 121.223 0.058 0.000 1.997 425 L HA -0.281 4.059 4.340 -0.001 0.000 0.216 425 L C 2.574 179.437 176.870 -0.012 0.000 1.074 425 L CA 1.424 56.281 54.840 0.027 0.000 0.763 425 L CB -1.047 41.039 42.059 0.046 0.000 0.890 425 L HN 0.376 nan 8.230 nan 0.000 0.434 426 L N 0.534 121.742 121.223 -0.026 0.000 2.043 426 L HA -0.270 4.069 4.340 -0.001 0.000 0.212 426 L C 3.130 179.948 176.870 -0.087 0.000 1.075 426 L CA 2.635 57.421 54.840 -0.089 0.000 0.752 426 L CB -1.002 40.969 42.059 -0.146 0.000 0.891 426 L HN 0.243 nan 8.230 nan 0.000 0.432 427 R N -0.153 120.314 120.500 -0.056 0.000 2.152 427 R HA -0.020 4.319 4.340 -0.001 0.000 0.232 427 R C 2.007 178.289 176.300 -0.030 0.000 1.117 427 R CA 1.633 57.708 56.100 -0.041 0.000 0.981 427 R CB -2.030 28.258 30.300 -0.020 0.000 0.870 427 R HN 0.661 nan 8.270 nan 0.000 0.451 428 E N -0.670 119.513 120.200 -0.027 0.000 2.502 428 E HA 0.348 4.698 4.350 -0.001 0.000 0.194 428 E C 1.702 178.284 176.600 -0.030 0.000 1.062 428 E CA 0.929 57.311 56.400 -0.029 0.000 0.867 428 E CB -0.666 29.010 29.700 -0.040 0.000 0.888 428 E HN 1.538 nan 8.360 nan 0.000 0.510 429 G N -0.623 108.157 108.800 -0.033 0.000 2.176 429 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.232 429 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.232 429 G C 0.332 175.224 174.900 -0.014 0.000 0.986 429 G CA 0.137 45.224 45.100 -0.022 0.000 0.643 429 G HN 0.530 nan 8.290 nan 0.000 0.522 430 L N 1.768 122.979 121.223 -0.020 0.000 2.276 430 L HA 0.426 4.765 4.340 -0.001 0.000 0.286 430 L C -2.039 174.835 176.870 0.008 0.000 1.024 430 L CA -2.149 52.690 54.840 -0.002 0.000 0.826 430 L CB 1.737 43.790 42.059 -0.010 0.000 1.211 430 L HN -0.122 nan 8.230 nan 0.000 0.422 431 P HA 0.129 nan 4.420 nan 0.000 0.271 431 P C -0.952 176.382 177.300 0.057 0.000 1.233 431 P CA -0.206 62.930 63.100 0.060 0.000 0.789 431 P CB 0.877 32.637 31.700 0.100 0.000 0.951 432 S N -0.051 115.690 115.700 0.069 0.000 2.540 432 S HA 0.605 5.074 4.470 -0.001 0.000 0.275 432 S C -1.297 173.340 174.600 0.061 0.000 1.123 432 S CA -0.794 57.443 58.200 0.061 0.000 0.907 432 S CB 1.764 65.002 63.200 0.062 0.000 1.081 432 S HN 0.324 nan 8.310 nan 0.000 0.476 433 Q N 2.204 122.037 119.800 0.056 0.000 2.327 433 Q HA 0.545 4.884 4.340 -0.001 0.000 0.270 433 Q C -1.390 174.645 176.000 0.059 0.000 1.022 433 Q CA -0.599 55.238 55.803 0.057 0.000 0.773 433 Q CB 0.709 29.483 28.738 0.062 0.000 1.251 433 Q HN 0.732 nan 8.270 nan 0.000 0.457 434 I N 4.625 125.233 120.570 0.063 0.000 2.396 434 I HA 0.368 4.538 4.170 -0.001 0.000 0.292 434 I C -0.645 175.516 176.117 0.073 0.000 0.999 434 I CA -0.768 60.569 61.300 0.061 0.000 1.310 434 I CB 0.953 38.991 38.000 0.064 0.000 1.404 434 I HN 0.635 nan 8.210 nan 0.000 0.496 435 L N 7.298 128.561 121.223 0.068 0.000 2.441 435 L HA 0.434 4.773 4.340 -0.001 0.000 0.270 435 L C -0.466 176.448 176.870 0.073 0.000 0.973 435 L CA -0.383 54.511 54.840 0.090 0.000 0.842 435 L CB 1.138 43.263 42.059 0.110 0.000 1.239 435 L HN 0.392 nan 8.230 nan 0.000 0.406 436 N N 3.736 122.484 118.700 0.080 0.000 2.452 436 N HA -0.001 4.738 4.740 -0.001 0.000 0.266 436 N C 1.314 176.864 175.510 0.067 0.000 1.209 436 N CA 0.131 53.221 53.050 0.066 0.000 0.929 436 N CB 1.777 40.304 38.487 0.067 0.000 1.063 436 N HN 0.600 nan 8.380 nan 0.000 0.472 437 V N 4.720 124.661 119.914 0.045 0.000 2.277 437 V HA -0.196 3.923 4.120 -0.001 0.000 0.255 437 V C -1.345 174.780 176.094 0.052 0.000 1.074 437 V CA 1.682 64.004 62.300 0.037 0.000 1.058 437 V CB -0.821 31.012 31.823 0.016 0.000 0.656 437 V HN 0.686 nan 8.190 nan 0.000 0.449 438 P HA 0.314 nan 4.420 nan 0.000 0.271 438 P C -1.077 176.271 177.300 0.080 0.000 1.380 438 P CA 0.361 63.495 63.100 0.056 0.000 0.992 438 P CB 0.411 32.139 31.700 0.046 0.000 1.230 439 L N 4.270 125.553 121.223 0.100 0.000 2.408 439 L HA 0.542 4.881 4.340 -0.001 0.000 0.268 439 L C -0.635 176.311 176.870 0.127 0.000 0.986 439 L CA -0.676 54.250 54.840 0.143 0.000 0.820 439 L CB 1.802 43.981 42.059 0.200 0.000 1.303 439 L HN 0.146 nan 8.230 nan 0.000 0.411 440 R N 2.733 123.278 120.500 0.075 0.000 2.589 440 R HA 0.312 4.652 4.340 -0.001 0.000 0.293 440 R C 0.462 176.641 176.300 -0.201 0.000 0.963 440 R CA -0.470 55.604 56.100 -0.043 0.000 0.905 440 R CB 1.725 32.016 30.300 -0.016 0.000 1.144 440 R HN 0.799 nan 8.270 nan 0.000 0.459 441 E N 2.264 122.089 120.200 -0.624 0.000 2.171 441 E HA -0.242 4.107 4.350 -0.001 0.000 0.197 441 E C 0.595 177.156 176.600 -0.065 0.000 0.997 441 E CA 1.570 57.405 56.400 -0.940 0.000 0.810 441 E CB 0.243 29.344 29.700 -0.998 0.000 0.738 441 E HN 0.500 nan 8.360 nan 0.000 0.467 442 E N 1.022 121.171 120.200 -0.085 0.000 2.209 442 E HA -0.173 4.176 4.350 -0.001 0.000 0.196 442 E C 0.451 177.011 176.600 -0.066 0.000 0.993 442 E CA 0.934 57.317 56.400 -0.028 0.000 0.819 442 E CB -0.223 29.461 29.700 -0.027 0.000 0.745 442 E HN 0.577 nan 8.360 nan 0.000 0.477 443 E N 1.386 121.537 120.200 -0.082 0.000 2.392 443 E HA 0.097 4.446 4.350 -0.001 0.000 0.307 443 E C 1.101 177.223 176.600 -0.797 0.000 1.505 443 E CA -0.267 55.869 56.400 -0.441 0.000 1.716 443 E CB 0.197 29.801 29.700 -0.160 0.000 1.450 443 E HN 0.080 nan 8.360 nan 0.000 0.484 444 R N 1.329 121.348 120.500 -0.801 0.000 2.115 444 R HA -0.237 4.102 4.340 -0.001 0.000 0.239 444 R C 2.321 177.921 176.300 -1.168 0.000 1.133 444 R CA 2.298 57.696 56.100 -1.171 0.000 0.935 444 R CB -0.262 29.679 30.300 -0.598 0.000 0.853 444 R HN 0.557 nan 8.270 nan 0.000 0.433 445 H N -0.537 118.136 119.070 -0.660 0.000 2.330 445 H HA -0.273 4.283 4.556 -0.001 0.000 0.290 445 H C 2.073 177.140 175.328 -0.435 0.000 1.111 445 H CA 1.954 57.507 56.048 -0.824 0.000 1.226 445 H CB -0.674 28.667 29.762 -0.702 0.000 1.355 445 H HN 0.301 nan 8.280 nan 0.000 0.485 446 R N 1.299 121.584 120.500 -0.360 0.000 2.056 446 R HA -0.096 4.243 4.340 -0.001 0.000 0.227 446 R C 2.686 179.010 176.300 0.040 0.000 1.149 446 R CA 1.705 57.771 56.100 -0.057 0.000 0.937 446 R CB -0.380 29.930 30.300 0.017 0.000 0.835 446 R HN 0.629 nan 8.270 nan 0.000 0.430 447 W N 0.753 122.084 121.300 0.051 0.000 2.465 447 W HA -0.058 4.601 4.660 -0.001 0.000 0.268 447 W C 1.093 177.716 176.519 0.174 0.000 1.242 447 W CA 0.508 57.931 57.345 0.130 0.000 1.248 447 W CB -0.466 29.108 29.460 0.189 0.000 1.118 447 W HN 0.211 nan 8.180 nan 0.000 0.587 448 E N 1.484 121.620 120.200 -0.105 0.000 2.072 448 E HA -0.178 4.171 4.350 -0.001 0.000 0.191 448 E C 1.917 178.641 176.600 0.207 0.000 0.985 448 E CA 1.755 58.184 56.400 0.050 0.000 0.801 448 E CB -0.525 29.223 29.700 0.081 0.000 0.750 448 E HN 0.309 nan 8.360 nan 0.000 0.452 449 N N -0.769 118.098 118.700 0.279 0.000 2.188 449 N HA -0.153 4.587 4.740 -0.001 0.000 0.184 449 N C 1.696 177.294 175.510 0.147 0.000 1.018 449 N CA 0.696 53.873 53.050 0.212 0.000 0.858 449 N CB -0.090 38.554 38.487 0.261 0.000 0.989 449 N HN 0.193 nan 8.380 nan 0.000 0.426 450 A N 0.809 123.742 122.820 0.188 0.000 1.877 450 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 450 A C 1.978 179.667 177.584 0.175 0.000 1.186 450 A CA 1.163 53.308 52.037 0.179 0.000 0.620 450 A CB -0.538 18.600 19.000 0.230 0.000 0.822 450 A HN 0.133 nan 8.150 nan 0.000 0.443 451 L N -1.296 120.069 121.223 0.236 0.000 2.109 451 L HA -0.029 4.311 4.340 -0.001 0.000 0.207 451 L C 2.333 179.285 176.870 0.136 0.000 1.086 451 L CA 1.265 56.243 54.840 0.229 0.000 0.760 451 L CB -0.890 41.369 42.059 0.333 0.000 0.910 451 L HN 0.386 nan 8.230 nan 0.000 0.437 452 L N -0.631 120.646 121.223 0.090 0.000 2.083 452 L HA -0.088 4.252 4.340 -0.001 0.000 0.209 452 L C 2.269 179.099 176.870 -0.068 0.000 1.083 452 L CA 1.908 56.741 54.840 -0.012 0.000 0.752 452 L CB -1.027 40.991 42.059 -0.069 0.000 0.899 452 L HN 0.278 nan 8.230 nan 0.000 0.433 453 G N -1.159 107.618 108.800 -0.037 0.000 2.394 453 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.215 453 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.215 453 G C 1.608 176.476 174.900 -0.054 0.000 1.165 453 G CA 0.580 45.633 45.100 -0.078 0.000 0.784 453 G HN 0.348 nan 8.290 nan 0.000 0.535 454 L N 0.029 121.259 121.223 0.013 0.000 2.081 454 L HA -0.028 4.311 4.340 -0.001 0.000 0.212 454 L C 2.825 179.709 176.870 0.022 0.000 1.080 454 L CA 1.212 56.076 54.840 0.040 0.000 0.754 454 L CB -0.184 41.936 42.059 0.100 0.000 0.893 454 L HN 0.231 nan 8.230 nan 0.000 0.433 455 L N -0.645 120.578 121.223 -0.001 0.000 2.093 455 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 455 L C 2.809 179.617 176.870 -0.102 0.000 1.085 455 L CA 1.052 55.863 54.840 -0.047 0.000 0.755 455 L CB -0.566 41.393 42.059 -0.167 0.000 0.904 455 L HN 0.290 nan 8.230 nan 0.000 0.435 456 A N 0.196 122.935 122.820 -0.136 0.000 1.940 456 A HA -0.229 4.090 4.320 -0.001 0.000 0.219 456 A C 2.243 179.765 177.584 -0.104 0.000 1.176 456 A CA 1.691 53.635 52.037 -0.154 0.000 0.631 456 A CB -0.339 18.530 19.000 -0.218 0.000 0.814 456 A HN 0.361 nan 8.150 nan 0.000 0.446 457 K N -0.360 119.992 120.400 -0.080 0.000 2.288 457 K HA 0.088 4.407 4.320 -0.001 0.000 0.201 457 K C 1.529 178.147 176.600 0.030 0.000 1.048 457 K CA 0.816 57.086 56.287 -0.029 0.000 0.956 457 K CB -0.166 32.326 32.500 -0.013 0.000 0.746 457 K HN 0.403 nan 8.250 nan 0.000 0.461 458 A N 0.744 123.578 122.820 0.022 0.000 2.370 458 A HA 0.291 4.611 4.320 -0.001 0.000 0.238 458 A C 1.257 178.867 177.584 0.043 0.000 1.289 458 A CA 0.495 52.559 52.037 0.045 0.000 0.885 458 A CB -0.460 18.575 19.000 0.058 0.000 0.961 458 A HN 0.382 nan 8.150 nan 0.000 0.499 459 G N -1.339 107.482 108.800 0.036 0.000 2.162 459 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.260 459 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.260 459 G C 0.036 174.939 174.900 0.005 0.000 0.976 459 G CA 0.456 45.582 45.100 0.042 0.000 0.655 459 G HN 0.424 nan 8.290 nan 0.000 0.533 460 L N 0.086 121.277 121.223 -0.054 0.000 2.417 460 L HA 0.463 4.802 4.340 -0.001 0.000 0.268 460 L C 1.067 177.855 176.870 -0.136 0.000 1.158 460 L CA 0.173 54.936 54.840 -0.128 0.000 0.819 460 L CB 1.368 43.251 42.059 -0.294 0.000 1.112 460 L HN 0.265 nan 8.230 nan 0.000 0.458 461 Q N 1.795 121.543 119.800 -0.086 0.000 2.901 461 Q HA 0.178 4.517 4.340 -0.001 0.000 0.265 461 Q C 0.619 176.609 176.000 -0.016 0.000 1.263 461 Q CA -0.284 55.516 55.803 -0.004 0.000 1.088 461 Q CB 0.594 29.416 28.738 0.139 0.000 1.339 461 Q HN 0.670 nan 8.270 nan 0.000 0.546 462 V N 1.322 121.134 119.914 -0.170 0.000 2.250 462 V HA -0.245 3.875 4.120 -0.001 0.000 0.253 462 V C 1.141 177.278 176.094 0.071 0.000 1.065 462 V CA 2.112 64.330 62.300 -0.137 0.000 1.039 462 V CB -0.815 30.888 31.823 -0.200 0.000 0.647 462 V HN 0.650 nan 8.190 nan 0.000 0.446 463 V N -4.261 115.662 119.914 0.016 0.000 3.158 463 V HA 1.038 5.158 4.120 -0.001 0.000 0.311 463 V C -0.646 175.377 176.094 -0.118 0.000 1.181 463 V CA -0.354 61.942 62.300 -0.006 0.000 1.054 463 V CB 1.768 33.581 31.823 -0.018 0.000 1.085 463 V HN 0.684 nan 8.190 nan 0.000 0.446 464 A N 0.818 123.491 122.820 -0.245 0.000 2.540 464 A HA 0.811 5.130 4.320 -0.001 0.000 0.291 464 A C -1.564 175.845 177.584 -0.292 0.000 1.083 464 A CA -0.763 51.062 52.037 -0.354 0.000 0.650 464 A CB 0.960 19.516 19.000 -0.740 0.000 1.292 464 A HN 1.112 nan 8.150 nan 0.000 0.435 465 L N 0.273 121.371 121.223 -0.208 0.000 2.365 465 L HA 0.681 5.020 4.340 -0.001 0.000 0.267 465 L C 1.966 178.802 176.870 -0.057 0.000 1.033 465 L CA 0.038 54.820 54.840 -0.095 0.000 0.802 465 L CB 1.450 43.526 42.059 0.028 0.000 1.267 465 L HN 1.082 nan 8.230 nan 0.000 0.457 466 S N 0.759 116.453 115.700 -0.010 0.000 2.382 466 S HA 0.269 4.738 4.470 -0.001 0.000 0.228 466 S C 0.989 175.611 174.600 0.036 0.000 1.027 466 S CA 1.172 59.374 58.200 0.004 0.000 0.991 466 S CB -0.384 62.814 63.200 -0.005 0.000 0.823 466 S HN 1.075 nan 8.310 nan 0.000 0.469 470 P HA 0.094 nan 4.420 nan 0.000 0.234 470 P C -0.233 177.111 177.300 0.073 0.000 1.162 470 P CA 1.183 64.321 63.100 0.064 0.000 0.759 470 P CB 0.158 31.872 31.700 0.022 0.000 0.813 471 A N -0.938 121.946 122.820 0.106 0.000 2.497 471 A HA 0.504 4.824 4.320 -0.001 0.000 0.280 471 A C 0.935 178.566 177.584 0.079 0.000 1.065 471 A CA -0.060 52.025 52.037 0.079 0.000 0.781 471 A CB 0.748 19.784 19.000 0.060 0.000 1.289 471 A HN -0.082 nan 8.150 nan 0.000 0.415 472 E N 1.678 121.925 120.200 0.078 0.000 2.333 472 E HA 0.169 4.519 4.350 -0.001 0.000 0.198 472 E C 0.352 176.978 176.600 0.044 0.000 1.007 472 E CA 1.658 58.102 56.400 0.073 0.000 0.845 472 E CB -0.058 29.687 29.700 0.074 0.000 0.766 472 E HN 1.280 nan 8.360 nan 0.000 0.507 473 L N -0.109 121.138 121.223 0.039 0.000 2.457 473 L HA 0.689 5.028 4.340 -0.001 0.000 0.266 473 L C -0.601 176.282 176.870 0.021 0.000 0.979 473 L CA -1.161 53.691 54.840 0.021 0.000 0.857 473 L CB 1.398 43.483 42.059 0.044 0.000 1.213 473 L HN 0.124 nan 8.230 nan 0.000 0.418 474 A N 4.331 127.140 122.820 -0.019 0.000 2.292 474 A HA 0.783 5.102 4.320 -0.001 0.000 0.319 474 A C -1.099 176.473 177.584 -0.020 0.000 1.206 474 A CA -0.437 51.593 52.037 -0.013 0.000 0.835 474 A CB 1.473 20.437 19.000 -0.060 0.000 1.164 474 A HN 0.891 nan 8.150 nan 0.000 0.505 475 V N 2.400 122.320 119.914 0.010 0.000 2.709 475 V HA 0.835 4.955 4.120 -0.001 0.000 0.308 475 V C 0.213 176.218 176.094 -0.148 0.000 1.062 475 V CA 0.302 62.541 62.300 -0.101 0.000 0.901 475 V CB 1.853 33.611 31.823 -0.109 0.000 1.003 475 V HN 1.323 nan 8.190 nan 0.000 0.425 476 G N 5.037 113.661 108.800 -0.294 0.000 2.388 476 G HA2 0.723 4.683 3.960 -0.001 0.000 0.330 476 G HA3 0.723 4.683 3.960 -0.001 0.000 0.330 476 G C -1.571 173.093 174.900 -0.392 0.000 1.142 476 G CA -0.487 44.511 45.100 -0.169 0.000 0.908 476 G HN 0.572 nan 8.290 nan 0.000 0.473 477 F N 0.767 120.828 119.950 0.184 0.000 2.507 477 F HA 0.434 4.960 4.527 -0.001 0.000 0.328 477 F C -0.241 175.727 175.800 0.280 0.000 1.136 477 F CA -0.917 57.251 58.000 0.279 0.000 0.930 477 F CB 2.702 41.954 39.000 0.419 0.000 1.166 477 F HN 0.368 nan 8.300 nan 0.000 0.436 478 D N 1.608 122.208 120.400 0.334 0.000 2.423 478 D HA 0.845 5.485 4.640 -0.001 0.000 0.235 478 D C -1.379 174.906 176.300 -0.024 0.000 1.011 478 D CA -0.522 53.565 54.000 0.145 0.000 0.963 478 D CB 2.261 43.070 40.800 0.016 0.000 1.349 478 D HN 0.711 nan 8.370 nan 0.000 0.508 479 A N 0.313 123.002 122.820 -0.218 0.000 2.587 479 A HA 0.737 5.057 4.320 -0.001 0.000 0.293 479 A C -0.325 177.094 177.584 -0.275 0.000 1.087 479 A CA -0.415 51.313 52.037 -0.515 0.000 0.692 479 A CB 1.560 19.826 19.000 -1.224 0.000 1.291 479 A HN 0.524 nan 8.150 nan 0.000 0.407 480 G N -0.846 107.815 108.800 -0.233 0.000 2.325 480 G HA2 0.578 4.537 3.960 -0.001 0.000 0.298 480 G HA3 0.578 4.537 3.960 -0.001 0.000 0.298 480 G C 0.763 175.609 174.900 -0.090 0.000 1.134 480 G CA 0.218 45.238 45.100 -0.133 0.000 0.876 480 G HN 2.222 nan 8.290 nan 0.000 0.452 481 G N 0.537 109.267 108.800 -0.116 0.000 2.624 481 G HA2 0.287 4.247 3.960 -0.001 0.000 0.190 481 G HA3 0.287 4.247 3.960 -0.001 0.000 0.190 481 G C 1.089 175.965 174.900 -0.041 0.000 1.008 481 G CA 1.217 46.257 45.100 -0.100 0.000 0.731 481 G HN 2.172 nan 8.290 nan 0.000 0.478 482 R N -0.097 120.378 120.500 -0.042 0.000 3.922 482 R HA -0.211 4.129 4.340 -0.001 0.000 0.447 482 R C 0.991 177.299 176.300 0.014 0.000 1.035 482 R CA 3.318 59.405 56.100 -0.021 0.000 1.289 482 R CB -2.902 27.383 30.300 -0.026 0.000 1.906 482 R HN 2.177 nan 8.270 nan 0.000 0.540 483 E N -2.142 118.083 120.200 0.042 0.000 2.749 483 E HA 0.334 4.683 4.350 -0.001 0.000 0.157 483 E C -0.168 176.493 176.600 0.101 0.000 0.887 483 E CA 0.320 56.762 56.400 0.070 0.000 1.369 483 E CB -0.024 29.715 29.700 0.065 0.000 1.005 483 E HN 1.378 nan 8.360 nan 0.000 0.469 484 S N -0.945 114.816 115.700 0.102 0.000 2.622 484 S HA 0.369 4.838 4.470 -0.001 0.000 0.275 484 S C -0.784 173.851 174.600 0.060 0.000 1.112 484 S CA -0.858 57.415 58.200 0.122 0.000 0.837 484 S CB 0.033 63.295 63.200 0.102 0.000 1.082 484 S HN 0.046 nan 8.310 nan 0.000 0.456 485 F N 0.826 120.775 119.950 -0.002 0.000 2.727 485 F HA 0.378 4.905 4.527 -0.000 0.000 0.302 485 F C 1.957 177.713 175.800 -0.073 0.000 1.097 485 F CA -0.363 57.628 58.000 -0.014 0.000 1.330 485 F CB 0.248 39.204 39.000 -0.075 0.000 1.084 485 F HN 0.450 nan 8.300 nan 0.000 0.578 486 R N -0.040 120.410 120.500 -0.083 0.000 3.385 486 R HA 0.074 4.414 4.340 -0.001 0.000 0.236 486 R C -0.205 175.673 176.300 -0.703 0.000 1.663 486 R CA 0.508 56.395 56.100 -0.356 0.000 1.444 486 R CB -0.667 29.340 30.300 -0.489 0.000 1.218 486 R HN 0.353 nan 8.270 nan 0.000 0.575 487 F N -1.907 118.048 119.950 0.008 0.000 2.960 487 F HA 0.184 4.711 4.527 -0.001 0.000 0.403 487 F C 0.883 176.672 175.800 -0.018 0.000 0.955 487 F CA 0.009 58.001 58.000 -0.014 0.000 1.010 487 F CB 1.226 40.200 39.000 -0.043 0.000 1.255 487 F HN 0.203 nan 8.300 nan 0.000 0.559 488 G N 0.498 109.377 108.800 0.131 0.000 2.423 488 G HA2 0.401 4.361 3.960 -0.001 0.000 0.684 488 G HA3 0.401 4.361 3.960 -0.001 0.000 0.684 488 G C -0.631 174.253 174.900 -0.028 0.000 1.309 488 G CA -0.374 44.785 45.100 0.100 0.000 0.950 488 G HN 0.749 nan 8.290 nan 0.000 0.587 489 G N -1.447 107.383 108.800 0.050 0.000 2.494 489 G HA2 1.056 5.015 3.960 -0.001 0.000 0.308 489 G HA3 1.056 5.015 3.960 -0.001 0.000 0.308 489 G C -0.571 174.405 174.900 0.126 0.000 1.263 489 G CA 1.114 46.205 45.100 -0.015 0.000 0.840 489 G HN 2.595 nan 8.290 nan 0.000 0.479 490 A N -1.818 121.094 122.820 0.153 0.000 2.610 490 A HA 1.067 5.386 4.320 -0.001 0.000 0.291 490 A C -0.620 177.020 177.584 0.095 0.000 1.086 490 A CA 0.342 52.445 52.037 0.111 0.000 0.677 490 A CB 1.174 20.174 19.000 0.000 0.000 1.278 490 A HN 2.506 nan 8.150 nan 0.000 0.414 491 A N -0.679 122.143 122.820 0.003 0.000 2.566 491 A HA 0.801 5.121 4.320 -0.001 0.000 0.292 491 A C -0.941 176.565 177.584 -0.129 0.000 1.112 491 A CA -0.439 51.494 52.037 -0.174 0.000 0.707 491 A CB 1.167 19.943 19.000 -0.374 0.000 1.302 491 A HN 1.701 nan 8.150 nan 0.000 0.409 492 C N 0.216 119.412 119.300 -0.173 0.000 2.880 492 C HA 0.920 5.379 4.460 -0.001 0.000 0.320 492 C C 0.206 175.141 174.990 -0.091 0.000 1.176 492 C CA 0.043 59.036 59.018 -0.042 0.000 1.390 492 C CB 1.056 28.819 27.740 0.038 0.000 1.846 492 C HN 1.455 nan 8.230 nan 0.000 0.478 493 A N 2.310 125.099 122.820 -0.051 0.000 2.539 493 A HA 1.011 5.331 4.320 -0.001 0.000 0.296 493 A C -1.196 176.336 177.584 -0.086 0.000 1.073 493 A CA -0.398 51.592 52.037 -0.079 0.000 0.700 493 A CB 1.295 20.240 19.000 -0.092 0.000 1.296 493 A HN 0.864 nan 8.150 nan 0.000 0.405 494 V N -0.986 118.866 119.914 -0.104 0.000 3.182 494 V HA 0.888 5.007 4.120 -0.001 0.000 0.308 494 V C 0.422 176.433 176.094 -0.139 0.000 1.240 494 V CA -0.076 62.136 62.300 -0.146 0.000 1.063 494 V CB 2.398 34.158 31.823 -0.105 0.000 1.076 494 V HN 1.720 nan 8.190 nan 0.000 0.446 495 G N -0.255 108.462 108.800 -0.138 0.000 4.973 495 G HA2 0.650 4.610 3.960 -0.001 0.000 0.211 495 G HA3 0.650 4.610 3.960 -0.001 0.000 0.211 495 G C 0.164 175.050 174.900 -0.024 0.000 0.784 495 G CA 0.822 45.878 45.100 -0.074 0.000 0.657 495 G HN 1.782 nan 8.290 nan 0.000 0.480 500 H N 1.445 120.552 119.070 0.061 0.000 2.551 500 H HA 0.736 5.292 4.556 -0.001 0.000 0.358 500 H C -0.544 174.812 175.328 0.046 0.000 1.151 500 H CA -0.654 55.429 56.048 0.058 0.000 1.374 500 H CB 1.568 31.371 29.762 0.068 0.000 1.473 500 H HN 0.388 nan 8.280 nan 0.000 0.574 501 L N 1.351 122.559 121.223 -0.024 0.000 2.333 501 L HA 0.659 4.999 4.340 -0.001 0.000 0.269 501 L C -0.724 176.183 176.870 0.063 0.000 1.010 501 L CA -1.243 53.571 54.840 -0.042 0.000 0.818 501 L CB 1.323 43.393 42.059 0.020 0.000 1.306 501 L HN 0.654 nan 8.230 nan 0.000 0.430 502 L N -1.220 120.043 121.223 0.067 0.000 2.465 502 L HA 0.807 5.147 4.340 -0.001 0.000 0.257 502 L C -1.168 175.799 176.870 0.161 0.000 0.988 502 L CA -0.695 54.212 54.840 0.112 0.000 0.827 502 L CB 1.795 43.860 42.059 0.010 0.000 1.397 502 L HN 0.902 nan 8.230 nan 0.000 0.410 503 W N -0.159 121.209 121.300 0.114 0.000 2.655 503 W HA 0.932 5.592 4.660 -0.000 0.000 0.358 503 W C -1.353 175.187 176.519 0.035 0.000 1.100 503 W CA -0.793 56.594 57.345 0.071 0.000 1.195 503 W CB 1.023 30.569 29.460 0.143 0.000 1.403 503 W HN 0.672 nan 8.180 nan 0.000 0.589 504 T N 1.737 116.384 114.554 0.156 0.000 2.864 504 T HA 0.666 5.016 4.350 -0.001 0.000 0.299 504 T C -1.048 173.777 174.700 0.208 0.000 1.166 504 T CA -0.738 61.364 62.100 0.003 0.000 1.007 504 T CB 2.239 71.071 68.868 -0.061 0.000 1.219 504 T HN 0.378 nan 8.240 nan 0.000 0.506 505 L N 1.396 122.701 121.223 0.136 0.000 2.464 505 L HA 0.635 4.974 4.340 -0.001 0.000 0.266 505 L C -2.182 174.745 176.870 0.096 0.000 0.965 505 L CA -1.929 53.015 54.840 0.173 0.000 0.833 505 L CB 2.091 44.313 42.059 0.273 0.000 1.296 505 L HN 0.670 nan 8.230 nan 0.000 0.405 506 P HA 0.173 nan 4.420 nan 0.000 0.264 506 P C 0.133 177.468 177.300 0.058 0.000 1.173 506 P CA 1.265 64.419 63.100 0.089 0.000 0.761 506 P CB 0.609 32.383 31.700 0.123 0.000 0.794 507 E N 1.143 121.361 120.200 0.030 0.000 2.046 507 E HA 0.501 4.851 4.350 -0.001 0.000 0.199 507 E C 1.238 177.854 176.600 0.027 0.000 0.948 507 E CA 1.323 57.734 56.400 0.017 0.000 0.876 507 E CB -0.490 29.205 29.700 -0.009 0.000 0.901 507 E HN 1.032 nan 8.360 nan 0.000 0.479 508 A N -2.048 120.787 122.820 0.024 0.000 2.389 508 A HA 0.716 5.035 4.320 -0.001 0.000 0.293 508 A C 0.227 177.829 177.584 0.030 0.000 1.186 508 A CA 0.442 52.495 52.037 0.027 0.000 0.828 508 A CB 1.104 20.116 19.000 0.019 0.000 1.369 508 A HN 1.046 nan 8.150 nan 0.000 0.446 509 Q N -0.636 119.180 119.800 0.026 0.000 2.719 509 Q HA 0.710 5.049 4.340 -0.001 0.000 0.376 509 Q C 0.387 176.392 176.000 0.009 0.000 0.856 509 Q CA 0.715 56.530 55.803 0.020 0.000 1.038 509 Q CB -0.482 28.270 28.738 0.023 0.000 1.418 509 Q HN 2.776 nan 8.270 nan 0.000 0.395 515 P HA -0.138 nan 4.420 nan 0.000 0.225 515 P C 1.105 178.323 177.300 -0.138 0.000 1.148 515 P CA 1.312 64.386 63.100 -0.043 0.000 0.779 515 P CB 0.317 32.021 31.700 0.006 0.000 0.780 516 Q N 0.374 120.098 119.800 -0.128 0.000 2.364 516 Q HA -0.105 4.234 4.340 -0.001 0.000 0.207 516 Q C 1.669 177.593 176.000 -0.126 0.000 0.970 516 Q CA 1.051 56.755 55.803 -0.166 0.000 0.888 516 Q CB -0.482 28.190 28.738 -0.109 0.000 0.951 516 Q HN 0.563 nan 8.270 nan 0.000 0.469 517 E N 0.244 120.403 120.200 -0.068 0.000 2.216 517 E HA 0.001 4.350 4.350 -0.001 0.000 0.192 517 E C 2.158 178.745 176.600 -0.021 0.000 0.973 517 E CA 0.416 56.821 56.400 0.008 0.000 0.851 517 E CB 0.135 29.853 29.700 0.031 0.000 0.804 517 E HN 0.081 nan 8.360 nan 0.000 0.477 518 V N 1.906 121.785 119.914 -0.059 0.000 2.282 518 V HA -0.271 3.848 4.120 -0.001 0.000 0.249 518 V C 2.499 178.524 176.094 -0.115 0.000 1.057 518 V CA 1.638 63.924 62.300 -0.023 0.000 1.032 518 V CB -0.700 31.184 31.823 0.101 0.000 0.645 518 V HN 0.080 nan 8.190 nan 0.000 0.447 519 V N -0.712 118.993 119.914 -0.348 0.000 2.244 519 V HA -0.281 3.839 4.120 -0.001 0.000 0.244 519 V C 2.135 178.140 176.094 -0.149 0.000 1.042 519 V CA 2.359 64.382 62.300 -0.460 0.000 1.006 519 V CB -0.895 30.342 31.823 -0.977 0.000 0.641 519 V HN 0.817 nan 8.190 nan 0.000 0.446 520 W N 1.654 122.830 121.300 -0.207 0.000 2.387 520 W HA -0.228 4.432 4.660 -0.001 0.000 0.272 520 W C 1.957 178.468 176.519 -0.012 0.000 1.224 520 W CA 1.752 59.042 57.345 -0.091 0.000 1.210 520 W CB -0.291 29.113 29.460 -0.093 0.000 1.125 520 W HN 0.537 nan 8.180 nan 0.000 0.572 521 D N 1.270 121.509 120.400 -0.268 0.000 2.123 521 D HA -0.137 4.502 4.640 -0.001 0.000 0.200 521 D C 2.159 178.307 176.300 -0.252 0.000 0.976 521 D CA 1.647 55.462 54.000 -0.308 0.000 0.831 521 D CB -0.814 39.920 40.800 -0.110 0.000 0.974 521 D HN 0.235 nan 8.370 nan 0.000 0.469 522 L N -0.734 120.434 121.223 -0.091 0.000 1.976 522 L HA -0.047 4.292 4.340 -0.001 0.000 0.209 522 L C 2.773 179.643 176.870 -0.001 0.000 1.071 522 L CA 1.055 55.907 54.840 0.019 0.000 0.746 522 L CB -0.392 41.794 42.059 0.212 0.000 0.890 522 L HN 0.281 nan 8.230 nan 0.000 0.432 523 L N 0.504 121.784 121.223 0.095 0.000 2.043 523 L HA -0.234 4.105 4.340 -0.001 0.000 0.212 523 L C 2.759 179.511 176.870 -0.198 0.000 1.075 523 L CA 2.552 57.447 54.840 0.091 0.000 0.752 523 L CB -1.047 41.148 42.059 0.227 0.000 0.891 523 L HN 0.355 nan 8.230 nan 0.000 0.432 524 E N -0.235 119.621 120.200 -0.573 0.000 2.007 524 E HA -0.225 4.125 4.350 -0.001 0.000 0.194 524 E C 2.107 178.581 176.600 -0.210 0.000 0.999 524 E CA 1.796 57.815 56.400 -0.635 0.000 0.811 524 E CB -1.581 27.515 29.700 -1.007 0.000 0.762 524 E HN 0.688 nan 8.360 nan 0.000 0.450 525 E N 0.250 120.338 120.200 -0.185 0.000 2.501 525 E HA -0.066 4.283 4.350 -0.001 0.000 0.203 525 E C 2.029 178.602 176.600 -0.045 0.000 1.072 525 E CA 1.658 57.991 56.400 -0.112 0.000 0.885 525 E CB -1.099 28.497 29.700 -0.173 0.000 0.813 525 E HN 0.593 nan 8.360 nan 0.000 0.556 526 T N -0.270 114.269 114.554 -0.025 0.000 3.053 526 T HA 0.178 4.527 4.350 -0.001 0.000 0.236 526 T C 2.136 176.884 174.700 0.079 0.000 0.996 526 T CA 0.502 62.608 62.100 0.010 0.000 1.185 526 T CB -0.185 68.672 68.868 -0.019 0.000 0.892 526 T HN 0.322 nan 8.240 nan 0.000 0.432 527 L N 0.008 121.263 121.223 0.054 0.000 2.137 527 L HA -0.193 4.147 4.340 -0.001 0.000 0.213 527 L C 2.275 179.211 176.870 0.111 0.000 1.085 527 L CA 1.590 56.474 54.840 0.074 0.000 0.760 527 L CB -0.419 41.676 42.059 0.059 0.000 0.893 527 L HN 0.401 nan 8.230 nan 0.000 0.434 528 W N 0.552 121.821 121.300 -0.051 0.000 2.322 528 W HA -0.302 4.358 4.660 -0.000 0.000 0.326 528 W C 2.634 179.140 176.519 -0.021 0.000 1.224 528 W CA 1.965 59.287 57.345 -0.038 0.000 1.257 528 W CB -0.270 29.151 29.460 -0.065 0.000 1.174 528 W HN 0.098 nan 8.180 nan 0.000 0.460 529 A N -0.497 122.698 122.820 0.624 0.000 2.093 529 A HA -0.207 4.112 4.320 -0.001 0.000 0.222 529 A C 1.994 179.731 177.584 0.254 0.000 1.162 529 A CA 2.265 54.584 52.037 0.471 0.000 0.655 529 A CB -2.062 17.072 19.000 0.224 0.000 0.805 529 A HN 0.757 nan 8.150 nan 0.000 0.461 530 F N -0.572 119.477 119.950 0.165 0.000 2.754 530 F HA 0.263 4.789 4.527 -0.001 0.000 0.297 530 F C 2.232 178.053 175.800 0.035 0.000 1.122 530 F CA 0.971 59.038 58.000 0.112 0.000 1.400 530 F CB -0.628 38.426 39.000 0.089 0.000 1.117 530 F HN 0.461 nan 8.300 nan 0.000 0.587 531 R N 0.970 121.439 120.500 -0.051 0.000 2.210 531 R HA 0.230 4.570 4.340 -0.001 0.000 0.203 531 R C 1.394 177.569 176.300 -0.208 0.000 1.010 531 R CA 1.041 57.042 56.100 -0.166 0.000 1.008 531 R CB -0.124 29.985 30.300 -0.318 0.000 0.923 531 R HN 0.522 nan 8.270 nan 0.000 0.469 535 G N -1.117 107.675 108.800 -0.013 0.000 2.123 535 G HA2 0.508 4.468 3.960 -0.001 0.000 0.100 535 G HA3 0.508 4.468 3.960 -0.001 0.000 0.100 535 G C 0.575 175.448 174.900 -0.045 0.000 1.023 535 G CA 1.384 46.467 45.100 -0.028 0.000 1.101 535 G HN 1.301 nan 8.290 nan 0.000 0.331 536 R N -0.658 119.829 120.500 -0.022 0.000 2.702 536 R HA 1.011 5.350 4.340 -0.001 0.000 0.166 536 R C 1.161 177.454 176.300 -0.012 0.000 1.402 536 R CA 1.004 57.089 56.100 -0.025 0.000 1.077 536 R CB -0.959 29.335 30.300 -0.010 0.000 1.947 536 R HN 2.070 nan 8.270 nan 0.000 0.494 537 L N 1.502 122.728 121.223 0.006 0.000 2.421 537 L HA 0.730 5.070 4.340 -0.001 0.000 0.263 537 L C -1.517 175.380 176.870 0.044 0.000 1.122 537 L CA -1.857 52.999 54.840 0.027 0.000 0.804 537 L CB -0.165 41.914 42.059 0.033 0.000 1.150 537 L HN 0.827 nan 8.230 nan 0.000 0.457 538 P HA 0.302 nan 4.420 nan 0.000 0.282 538 P C 0.534 177.878 177.300 0.074 0.000 1.274 538 P CA 0.028 63.172 63.100 0.073 0.000 0.770 538 P CB 1.347 33.102 31.700 0.092 0.000 0.867 539 S N 2.574 118.313 115.700 0.065 0.000 2.365 539 S HA -0.153 4.317 4.470 -0.001 0.000 0.221 539 S C 1.099 175.742 174.600 0.071 0.000 1.037 539 S CA 1.255 59.491 58.200 0.060 0.000 1.060 539 S CB -0.296 62.936 63.200 0.053 0.000 0.974 539 S HN 0.561 nan 8.310 nan 0.000 0.427 540 R N -0.016 120.530 120.500 0.078 0.000 2.808 540 R HA 0.559 4.899 4.340 -0.001 0.000 0.272 540 R C -2.009 174.354 176.300 0.106 0.000 0.995 540 R CA -0.656 55.498 56.100 0.090 0.000 0.917 540 R CB 1.609 31.950 30.300 0.068 0.000 1.217 540 R HN 0.084 nan 8.270 nan 0.000 0.471 541 V N 1.660 121.657 119.914 0.137 0.000 2.577 541 V HA 0.622 4.742 4.120 -0.001 0.000 0.303 541 V C -1.307 174.879 176.094 0.153 0.000 1.042 541 V CA -1.018 61.372 62.300 0.150 0.000 0.872 541 V CB 1.574 33.513 31.823 0.194 0.000 0.998 541 V HN 0.647 nan 8.190 nan 0.000 0.423 542 L N 6.094 127.387 121.223 0.117 0.000 2.277 542 L HA 0.654 4.993 4.340 -0.001 0.000 0.284 542 L C -0.711 176.243 176.870 0.140 0.000 1.028 542 L CA -0.236 54.664 54.840 0.100 0.000 0.835 542 L CB 0.790 42.877 42.059 0.047 0.000 1.215 542 L HN 0.723 nan 8.230 nan 0.000 0.425 543 L N 6.478 127.804 121.223 0.172 0.000 2.257 543 L HA 0.484 4.823 4.340 -0.001 0.000 0.290 543 L C -0.421 176.544 176.870 0.158 0.000 1.044 543 L CA -0.189 54.804 54.840 0.256 0.000 0.810 543 L CB 0.947 43.123 42.059 0.195 0.000 1.193 543 L HN 0.517 nan 8.230 nan 0.000 0.425 544 L N 4.528 125.890 121.223 0.231 0.000 2.334 544 L HA 0.782 5.121 4.340 -0.001 0.000 0.272 544 L C -0.081 176.938 176.870 0.248 0.000 1.020 544 L CA -0.779 54.153 54.840 0.154 0.000 0.812 544 L CB 1.825 43.947 42.059 0.104 0.000 1.264 544 L HN 0.664 nan 8.230 nan 0.000 0.439 545 R N 0.143 120.737 120.500 0.157 0.000 2.634 545 R HA 0.190 4.530 4.340 -0.001 0.000 0.263 545 R C -1.201 175.190 176.300 0.151 0.000 1.060 545 R CA -0.620 55.618 56.100 0.230 0.000 0.898 545 R CB 1.401 31.843 30.300 0.237 0.000 1.253 545 R HN 0.652 nan 8.270 nan 0.000 0.461 546 D N 1.864 122.367 120.400 0.172 0.000 2.390 546 D HA 0.080 4.719 4.640 -0.001 0.000 0.235 546 D C 1.264 177.622 176.300 0.098 0.000 1.040 546 D CA 1.011 55.076 54.000 0.108 0.000 0.923 546 D CB -0.058 40.798 40.800 0.093 0.000 0.886 546 D HN 0.874 nan 8.370 nan 0.000 0.532 547 G N 0.484 109.357 108.800 0.122 0.000 2.454 547 G HA2 -0.418 3.541 3.960 -0.001 0.000 0.323 547 G HA3 -0.418 3.541 3.960 -0.001 0.000 0.323 547 G C 1.143 176.095 174.900 0.087 0.000 0.933 547 G CA 0.945 46.105 45.100 0.101 0.000 0.803 547 G HN 0.663 nan 8.290 nan 0.000 0.511 548 R N -1.216 119.340 120.500 0.094 0.000 2.568 548 R HA 0.713 5.052 4.340 -0.001 0.000 0.288 548 R C 0.359 176.712 176.300 0.088 0.000 1.077 548 R CA 0.647 56.787 56.100 0.068 0.000 1.102 548 R CB 0.229 30.557 30.300 0.047 0.000 1.278 548 R HN 1.219 nan 8.270 nan 0.000 0.560 549 V N 0.689 120.678 119.914 0.126 0.000 2.888 549 V HA 0.600 4.719 4.120 -0.001 0.000 0.309 549 V C -2.635 173.544 176.094 0.140 0.000 1.114 549 V CA -2.531 59.857 62.300 0.146 0.000 0.940 549 V CB 2.708 34.666 31.823 0.225 0.000 1.021 549 V HN 0.385 nan 8.190 nan 0.000 0.426 550 P HA -0.059 nan 4.420 nan 0.000 0.259 550 P C 0.508 177.877 177.300 0.115 0.000 1.163 550 P CA 0.610 63.760 63.100 0.083 0.000 0.760 550 P CB 0.678 32.411 31.700 0.054 0.000 0.762 551 Q N 3.297 123.161 119.800 0.107 0.000 1.998 551 Q HA -0.296 4.043 4.340 -0.001 0.000 0.209 551 Q C 1.331 177.431 176.000 0.167 0.000 1.002 551 Q CA 2.856 58.745 55.803 0.143 0.000 0.858 551 Q CB -0.438 28.346 28.738 0.077 0.000 0.932 551 Q HN 0.600 nan 8.270 nan 0.000 0.416 552 D N 0.135 120.585 120.400 0.083 0.000 2.640 552 D HA -0.281 4.358 4.640 -0.001 0.000 0.193 552 D C 0.961 177.266 176.300 0.008 0.000 1.063 552 D CA 1.941 55.967 54.000 0.043 0.000 0.923 552 D CB -0.660 40.147 40.800 0.012 0.000 0.883 552 D HN 0.509 nan 8.370 nan 0.000 0.463 553 E N -1.131 119.054 120.200 -0.025 0.000 2.501 553 E HA -0.101 4.249 4.350 -0.001 0.000 0.203 553 E C 0.510 176.837 176.600 -0.455 0.000 1.072 553 E CA 0.304 56.571 56.400 -0.222 0.000 0.885 553 E CB -0.200 29.337 29.700 -0.272 0.000 0.813 553 E HN 0.492 nan 8.360 nan 0.000 0.556 554 F N -1.057 118.791 119.950 -0.169 0.000 2.682 554 F HA 0.284 4.810 4.527 -0.002 0.000 0.308 554 F C 1.879 177.586 175.800 -0.155 0.000 1.093 554 F CA -0.053 57.825 58.000 -0.203 0.000 1.244 554 F CB 0.201 39.080 39.000 -0.202 0.000 1.052 554 F HN -0.035 nan 8.300 nan 0.000 0.573 555 A N 1.280 124.101 122.820 0.002 0.000 1.859 555 A HA -0.270 4.050 4.320 -0.001 0.000 0.218 555 A C 2.607 180.128 177.584 -0.105 0.000 1.242 555 A CA 3.258 55.269 52.037 -0.043 0.000 0.661 555 A CB -1.362 17.607 19.000 -0.052 0.000 0.842 555 A HN 0.340 nan 8.150 nan 0.000 0.455 556 L N -1.309 119.840 121.223 -0.123 0.000 2.010 556 L HA -0.048 4.291 4.340 -0.001 0.000 0.219 556 L C 3.034 179.743 176.870 -0.268 0.000 1.077 556 L CA 3.738 58.464 54.840 -0.189 0.000 0.773 556 L CB -2.209 39.784 42.059 -0.110 0.000 0.892 556 L HN 0.949 nan 8.230 nan 0.000 0.436 557 A N -1.110 121.677 122.820 -0.055 0.000 1.930 557 A HA 0.031 4.350 4.320 -0.001 0.000 0.217 557 A C 2.411 179.908 177.584 -0.146 0.000 1.175 557 A CA 1.567 53.672 52.037 0.113 0.000 0.627 557 A CB -0.474 18.688 19.000 0.269 0.000 0.815 557 A HN 0.697 nan 8.150 nan 0.000 0.443 558 L N -1.046 120.049 121.223 -0.214 0.000 1.988 558 L HA -0.179 4.160 4.340 -0.001 0.000 0.207 558 L C 2.643 179.245 176.870 -0.447 0.000 1.071 558 L CA 1.821 56.374 54.840 -0.478 0.000 0.744 558 L CB -0.706 41.179 42.059 -0.289 0.000 0.893 558 L HN 0.543 nan 8.230 nan 0.000 0.433 559 E N 0.420 120.443 120.200 -0.294 0.000 2.035 559 E HA -0.317 4.033 4.350 -0.001 0.000 0.204 559 E C 2.187 178.588 176.600 -0.332 0.000 1.025 559 E CA 1.696 57.943 56.400 -0.255 0.000 0.835 559 E CB -0.101 29.467 29.700 -0.220 0.000 0.764 559 E HN 0.439 nan 8.360 nan 0.000 0.457 560 A N 1.032 123.546 122.820 -0.510 0.000 1.892 560 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 560 A C 2.723 180.025 177.584 -0.470 0.000 1.188 560 A CA 2.745 54.363 52.037 -0.698 0.000 0.631 560 A CB -1.582 16.462 19.000 -1.594 0.000 0.822 560 A HN 0.399 nan 8.150 nan 0.000 0.447 561 L N -1.032 119.957 121.223 -0.389 0.000 2.043 561 L HA 0.035 4.374 4.340 -0.001 0.000 0.212 561 L C 2.984 179.788 176.870 -0.109 0.000 1.075 561 L CA 3.149 57.885 54.840 -0.172 0.000 0.752 561 L CB -2.181 39.724 42.059 -0.256 0.000 0.891 561 L HN 0.752 nan 8.230 nan 0.000 0.432 562 A N -0.401 122.327 122.820 -0.153 0.000 1.877 562 A HA -0.044 4.275 4.320 -0.001 0.000 0.216 562 A C 2.724 180.287 177.584 -0.035 0.000 1.186 562 A CA 2.775 54.802 52.037 -0.017 0.000 0.620 562 A CB -0.948 18.050 19.000 -0.002 0.000 0.822 562 A HN 1.114 nan 8.150 nan 0.000 0.443 563 R N -0.957 119.485 120.500 -0.098 0.000 2.303 563 R HA 0.041 4.380 4.340 -0.001 0.000 0.225 563 R C 1.838 178.108 176.300 -0.051 0.000 1.114 563 R CA 2.384 58.431 56.100 -0.087 0.000 1.007 563 R CB -1.911 28.303 30.300 -0.143 0.000 0.861 563 R HN 0.885 nan 8.270 nan 0.000 0.471 564 E N -1.686 118.496 120.200 -0.031 0.000 2.415 564 E HA 0.367 4.716 4.350 -0.001 0.000 0.197 564 E C 2.009 178.630 176.600 0.035 0.000 1.007 564 E CA 1.070 57.481 56.400 0.019 0.000 0.890 564 E CB -0.278 29.460 29.700 0.063 0.000 0.891 564 E HN 1.388 nan 8.360 nan 0.000 0.496 565 G N -1.128 107.693 108.800 0.036 0.000 2.299 565 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.237 565 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.237 565 G C 1.070 176.014 174.900 0.074 0.000 1.027 565 G CA 0.411 45.539 45.100 0.047 0.000 0.619 565 G HN 1.589 nan 8.290 nan 0.000 0.513 566 I N 1.387 122.012 120.570 0.091 0.000 2.813 566 I HA 0.722 4.892 4.170 -0.001 0.000 0.287 566 I C 1.085 177.312 176.117 0.182 0.000 1.196 566 I CA 0.279 61.650 61.300 0.119 0.000 1.421 566 I CB 0.164 38.240 38.000 0.127 0.000 1.365 566 I HN 1.898 nan 8.210 nan 0.000 0.591 567 A N 4.835 127.753 122.820 0.162 0.000 2.310 567 A HA 0.835 5.154 4.320 -0.001 0.000 0.299 567 A C -0.357 177.367 177.584 0.234 0.000 1.147 567 A CA -0.239 51.899 52.037 0.169 0.000 0.818 567 A CB 0.248 19.279 19.000 0.052 0.000 1.096 567 A HN 1.858 nan 8.150 nan 0.000 0.495 568 Y N -0.680 119.654 120.300 0.057 0.000 2.693 568 Y HA 0.875 5.424 4.550 -0.002 0.000 0.331 568 Y C -0.849 175.095 175.900 0.074 0.000 1.092 568 Y CA -2.000 56.142 58.100 0.070 0.000 1.131 568 Y CB 1.293 39.797 38.460 0.074 0.000 1.318 568 Y HN 0.459 nan 8.280 nan 0.000 0.510 569 D N 1.203 121.696 120.400 0.155 0.000 2.931 569 D HA 0.242 4.882 4.640 -0.001 0.000 0.215 569 D C -1.944 174.450 176.300 0.157 0.000 1.297 569 D CA -0.297 53.765 54.000 0.103 0.000 0.892 569 D CB 2.731 43.573 40.800 0.071 0.000 1.642 569 D HN 0.583 nan 8.370 nan 0.000 0.560 570 L N 3.567 124.883 121.223 0.155 0.000 2.318 570 L HA 0.490 4.829 4.340 -0.001 0.000 0.277 570 L C -1.299 175.609 176.870 0.064 0.000 1.008 570 L CA -0.520 54.350 54.840 0.050 0.000 0.846 570 L CB 1.240 43.287 42.059 -0.020 0.000 1.220 570 L HN 0.117 nan 8.230 nan 0.000 0.423 571 V N 3.757 123.682 119.914 0.020 0.000 2.513 571 V HA 0.468 4.587 4.120 -0.001 0.000 0.299 571 V C 0.255 176.338 176.094 -0.018 0.000 1.035 571 V CA -0.575 61.741 62.300 0.028 0.000 0.889 571 V CB 2.137 33.977 31.823 0.029 0.000 0.988 571 V HN 0.869 nan 8.190 nan 0.000 0.440 572 S N 4.547 120.233 115.700 -0.023 0.000 2.438 572 S HA 0.686 5.155 4.470 -0.001 0.000 0.316 572 S C -0.796 173.778 174.600 -0.043 0.000 1.084 572 S CA -0.604 57.580 58.200 -0.026 0.000 1.107 572 S CB 1.273 64.461 63.200 -0.020 0.000 0.981 572 S HN 0.444 nan 8.310 nan 0.000 0.466 573 V N 4.856 124.757 119.914 -0.021 0.000 2.439 573 V HA 0.536 4.655 4.120 -0.001 0.000 0.282 573 V C 0.386 176.465 176.094 -0.025 0.000 1.039 573 V CA -0.714 61.561 62.300 -0.042 0.000 0.913 573 V CB 0.856 32.671 31.823 -0.012 0.000 0.983 573 V HN 0.870 nan 8.190 nan 0.000 0.460 574 R N 2.577 123.049 120.500 -0.048 0.000 2.562 574 R HA 0.395 4.734 4.340 -0.001 0.000 0.298 574 R C 0.580 176.864 176.300 -0.027 0.000 0.961 574 R CA -0.773 55.309 56.100 -0.030 0.000 0.881 574 R CB 2.024 32.300 30.300 -0.040 0.000 1.159 574 R HN 0.617 nan 8.270 nan 0.000 0.450 575 K N 0.590 120.984 120.400 -0.010 0.000 2.439 575 K HA -0.028 4.291 4.320 -0.001 0.000 0.197 575 K C -0.255 176.339 176.600 -0.010 0.000 1.041 575 K CA 0.632 56.916 56.287 -0.005 0.000 0.970 575 K CB 0.312 32.815 32.500 0.005 0.000 0.773 575 K HN 0.607 nan 8.250 nan 0.000 0.479 576 S N -3.103 112.586 115.700 -0.017 0.000 2.556 576 S HA 0.561 5.030 4.470 -0.001 0.000 0.280 576 S C 0.085 174.669 174.600 -0.027 0.000 1.141 576 S CA -0.396 57.793 58.200 -0.018 0.000 0.883 576 S CB 1.654 64.850 63.200 -0.007 0.000 1.103 576 S HN 0.137 nan 8.310 nan 0.000 0.453 577 G N 0.883 109.665 108.800 -0.030 0.000 3.259 577 G HA2 0.096 4.055 3.960 -0.001 0.000 0.217 577 G HA3 0.096 4.055 3.960 -0.001 0.000 0.217 577 G C 0.729 175.600 174.900 -0.048 0.000 0.993 577 G CA 0.140 45.216 45.100 -0.041 0.000 0.836 577 G HN 1.706 nan 8.290 nan 0.000 0.514 578 G N 1.004 109.775 108.800 -0.049 0.000 3.474 578 G HA2 0.554 4.514 3.960 -0.001 0.000 0.269 578 G HA3 0.554 4.514 3.960 -0.001 0.000 0.269 578 G C 1.425 176.301 174.900 -0.041 0.000 1.339 578 G CA 1.326 46.396 45.100 -0.051 0.000 1.258 578 G HN 1.644 nan 8.290 nan 0.000 0.560 579 G N 0.712 109.500 108.800 -0.020 0.000 2.627 579 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.312 579 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.312 579 G C 0.079 174.943 174.900 -0.060 0.000 1.299 579 G CA 0.363 45.458 45.100 -0.009 0.000 0.989 579 G HN 0.752 nan 8.290 nan 0.000 0.547 580 R N -1.875 118.555 120.500 -0.117 0.000 2.807 580 R HA 0.752 5.091 4.340 -0.001 0.000 0.276 580 R C -0.599 175.398 176.300 -0.505 0.000 0.979 580 R CA -0.535 55.381 56.100 -0.305 0.000 0.928 580 R CB 2.235 32.331 30.300 -0.340 0.000 1.191 580 R HN 0.599 nan 8.270 nan 0.000 0.471 581 V N 3.128 122.661 119.914 -0.634 0.000 2.604 581 V HA 0.570 4.689 4.120 -0.001 0.000 0.305 581 V C -1.372 174.293 176.094 -0.715 0.000 1.043 581 V CA -0.665 61.313 62.300 -0.537 0.000 0.888 581 V CB 1.650 33.292 31.823 -0.301 0.000 0.995 581 V HN 0.592 nan 8.190 nan 0.000 0.429 582 Y N 4.475 124.717 120.300 -0.097 0.000 2.492 582 Y HA 0.548 5.098 4.550 -0.001 0.000 0.346 582 Y C -2.459 173.352 175.900 -0.148 0.000 0.997 582 Y CA -2.980 55.016 58.100 -0.172 0.000 1.025 582 Y CB 2.275 40.763 38.460 0.046 0.000 1.263 582 Y HN 0.396 nan 8.280 nan 0.000 0.454 583 P HA 0.090 nan 4.420 nan 0.000 0.281 583 P C 0.607 177.957 177.300 0.084 0.000 1.252 583 P CA -0.007 63.028 63.100 -0.108 0.000 0.778 583 P CB 2.085 33.663 31.700 -0.204 0.000 0.895 584 V N 2.137 122.029 119.914 -0.036 0.000 2.231 584 V HA -0.195 3.924 4.120 -0.001 0.000 0.248 584 V C 1.496 177.682 176.094 0.154 0.000 1.054 584 V CA 2.904 65.197 62.300 -0.011 0.000 1.015 584 V CB -1.414 30.246 31.823 -0.272 0.000 0.638 584 V HN 0.860 nan 8.190 nan 0.000 0.444 585 Q N -1.979 117.863 119.800 0.069 0.000 2.284 585 Q HA 0.574 4.913 4.340 -0.001 0.000 0.269 585 Q C -0.177 175.868 176.000 0.075 0.000 1.026 585 Q CA 0.495 56.357 55.803 0.097 0.000 0.831 585 Q CB 1.515 30.294 28.738 0.067 0.000 1.322 585 Q HN 1.313 nan 8.270 nan 0.000 0.419 586 G N -0.779 108.093 108.800 0.120 0.000 2.301 586 G HA2 0.616 4.575 3.960 -0.001 0.000 0.194 586 G HA3 0.616 4.575 3.960 -0.001 0.000 0.194 586 G C -0.216 174.784 174.900 0.167 0.000 1.266 586 G CA 0.560 45.722 45.100 0.103 0.000 1.210 586 G HN 2.037 nan 8.290 nan 0.000 0.524 587 R N -0.998 119.564 120.500 0.104 0.000 2.744 587 R HA 0.864 5.203 4.340 -0.001 0.000 0.279 587 R C 0.051 176.316 176.300 -0.058 0.000 0.977 587 R CA -0.296 55.885 56.100 0.134 0.000 0.906 587 R CB 0.938 31.320 30.300 0.137 0.000 1.197 587 R HN 1.106 nan 8.270 nan 0.000 0.463 588 L N 1.700 122.790 121.223 -0.222 0.000 2.485 588 L HA 0.491 4.830 4.340 -0.001 0.000 0.275 588 L C 1.026 177.750 176.870 -0.243 0.000 1.207 588 L CA 0.143 54.754 54.840 -0.381 0.000 0.855 588 L CB 1.285 42.949 42.059 -0.658 0.000 1.114 588 L HN 1.013 nan 8.230 nan 0.000 0.485 589 A N 2.953 125.672 122.820 -0.168 0.000 2.373 589 A HA 0.600 4.920 4.320 -0.001 0.000 0.291 589 A C -1.075 176.480 177.584 -0.049 0.000 1.171 589 A CA -0.615 51.378 52.037 -0.073 0.000 0.922 589 A CB 1.110 20.084 19.000 -0.043 0.000 1.400 589 A HN 0.625 nan 8.150 nan 0.000 0.474 590 D N -1.564 118.846 120.400 0.016 0.000 2.272 590 D HA 0.531 5.170 4.640 -0.001 0.000 0.247 590 D C 0.520 176.733 176.300 -0.146 0.000 0.990 590 D CA 1.073 55.088 54.000 0.026 0.000 0.931 590 D CB 1.304 42.217 40.800 0.188 0.000 1.195 590 D HN 1.330 nan 8.370 nan 0.000 0.477 591 G N 1.042 109.540 108.800 -0.504 0.000 2.324 591 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.292 591 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.292 591 G C -0.538 174.049 174.900 -0.521 0.000 1.079 591 G CA -0.123 44.216 45.100 -1.268 0.000 1.026 591 G HN 0.329 nan 8.290 nan 0.000 0.506 592 L N 0.973 122.014 121.223 -0.304 0.000 2.282 592 L HA 0.819 5.159 4.340 -0.001 0.000 0.288 592 L C -0.273 176.595 176.870 -0.003 0.000 1.033 592 L CA -2.038 52.730 54.840 -0.120 0.000 0.807 592 L CB 1.092 43.076 42.059 -0.126 0.000 1.209 592 L HN 0.377 nan 8.230 nan 0.000 0.423 593 Y N 5.284 125.560 120.300 -0.040 0.000 2.335 593 Y HA 0.722 5.272 4.550 -0.001 0.000 0.338 593 Y C -1.416 174.546 175.900 0.104 0.000 0.977 593 Y CA -0.992 57.142 58.100 0.056 0.000 1.114 593 Y CB 1.592 40.084 38.460 0.055 0.000 1.182 593 Y HN 0.319 nan 8.280 nan 0.000 0.463 594 V N 8.828 128.531 119.914 -0.351 0.000 2.409 594 V HA 0.418 4.538 4.120 -0.001 0.000 0.290 594 V C -2.481 173.408 176.094 -0.343 0.000 1.017 594 V CA -1.934 60.141 62.300 -0.376 0.000 0.841 594 V CB 1.451 33.167 31.823 -0.179 0.000 1.003 594 V HN 0.719 nan 8.190 nan 0.000 0.426 595 P HA 0.517 nan 4.420 nan 0.000 0.278 595 P C -0.489 176.794 177.300 -0.027 0.000 1.238 595 P CA -0.001 63.018 63.100 -0.134 0.000 0.794 595 P CB 1.152 32.796 31.700 -0.093 0.000 0.955 596 L N 0.125 121.376 121.223 0.047 0.000 2.532 596 L HA 0.418 4.758 4.340 -0.001 0.000 0.245 596 L C -0.055 176.849 176.870 0.058 0.000 1.319 596 L CA -1.150 53.714 54.840 0.040 0.000 1.365 596 L CB 0.084 42.167 42.059 0.039 0.000 1.736 596 L HN 0.143 nan 8.230 nan 0.000 0.517 597 E N 1.446 121.679 120.200 0.054 0.000 2.534 597 E HA 0.185 4.534 4.350 -0.001 0.000 0.264 597 E C -0.272 176.368 176.600 0.066 0.000 0.981 597 E CA 0.868 57.300 56.400 0.053 0.000 0.948 597 E CB -0.218 29.506 29.700 0.040 0.000 0.934 597 E HN 0.529 nan 8.360 nan 0.000 0.459 598 D N 1.178 121.615 120.400 0.063 0.000 2.400 598 D HA 0.394 5.033 4.640 -0.001 0.000 0.238 598 D C 1.149 177.504 176.300 0.092 0.000 1.157 598 D CA 0.631 54.679 54.000 0.079 0.000 0.889 598 D CB -0.079 40.754 40.800 0.056 0.000 1.199 598 D HN 0.661 nan 8.370 nan 0.000 0.436 599 K N -1.517 118.965 120.400 0.138 0.000 3.573 599 K HA -0.082 4.237 4.320 -0.001 0.000 0.280 599 K C 0.900 177.643 176.600 0.238 0.000 1.257 599 K CA 2.589 58.977 56.287 0.168 0.000 0.990 599 K CB -2.733 29.813 32.500 0.077 0.000 1.297 599 K HN 2.207 nan 8.250 nan 0.000 0.488 600 T N -1.222 113.467 114.554 0.225 0.000 2.906 600 T HA 0.895 5.245 4.350 -0.001 0.000 0.295 600 T C -0.394 174.499 174.700 0.321 0.000 1.061 600 T CA 0.120 62.334 62.100 0.190 0.000 1.000 600 T CB 1.405 70.302 68.868 0.048 0.000 1.103 600 T HN 1.664 nan 8.240 nan 0.000 0.486 601 F N 0.666 120.645 119.950 0.048 0.000 2.719 601 F HA 0.715 5.241 4.527 -0.001 0.000 0.309 601 F C -2.182 173.630 175.800 0.020 0.000 1.138 601 F CA -1.643 56.373 58.000 0.027 0.000 0.943 601 F CB 0.752 39.821 39.000 0.114 0.000 1.304 601 F HN 0.605 nan 8.300 nan 0.000 0.445 602 L N 2.491 123.767 121.223 0.088 0.000 2.379 602 L HA 0.704 5.043 4.340 -0.001 0.000 0.269 602 L C -1.035 175.912 176.870 0.129 0.000 1.084 602 L CA -1.177 53.663 54.840 0.001 0.000 0.802 602 L CB 1.658 43.699 42.059 -0.031 0.000 1.175 602 L HN 0.706 nan 8.230 nan 0.000 0.448 603 L N 3.706 124.965 121.223 0.059 0.000 2.518 603 L HA 0.369 4.709 4.340 -0.001 0.000 0.262 603 L C -1.076 175.806 176.870 0.019 0.000 0.982 603 L CA -0.263 54.644 54.840 0.111 0.000 0.873 603 L CB 1.344 43.513 42.059 0.183 0.000 1.198 603 L HN 0.371 nan 8.230 nan 0.000 0.427 604 L N 4.764 125.970 121.223 -0.028 0.000 2.369 604 L HA 0.363 4.702 4.340 -0.001 0.000 0.279 604 L C 1.006 177.832 176.870 -0.073 0.000 1.108 604 L CA 0.971 55.782 54.840 -0.048 0.000 0.852 604 L CB 0.913 42.922 42.059 -0.084 0.000 1.169 604 L HN 0.940 nan 8.230 nan 0.000 0.452 605 T N 1.948 116.509 114.554 0.012 0.000 3.056 605 T HA 0.200 4.549 4.350 -0.001 0.000 0.241 605 T C 0.533 175.352 174.700 0.197 0.000 1.006 605 T CA 0.542 62.698 62.100 0.093 0.000 1.115 605 T CB 0.048 69.049 68.868 0.221 0.000 0.939 605 T HN 0.410 nan 8.240 nan 0.000 0.462 606 V N -0.045 119.966 119.914 0.163 0.000 2.876 606 V HA 0.863 4.983 4.120 -0.001 0.000 0.312 606 V C -1.341 174.867 176.094 0.189 0.000 1.085 606 V CA -1.135 61.285 62.300 0.199 0.000 0.945 606 V CB 1.617 33.553 31.823 0.188 0.000 1.017 606 V HN 0.647 nan 8.190 nan 0.000 0.428 607 H N 1.923 121.062 119.070 0.115 0.000 3.029 607 H HA 0.926 5.481 4.556 -0.001 0.000 0.358 607 H C -0.432 174.968 175.328 0.120 0.000 1.129 607 H CA 0.711 56.821 56.048 0.105 0.000 1.230 607 H CB 1.787 31.603 29.762 0.090 0.000 1.827 607 H HN 1.397 nan 8.280 nan 0.000 0.530 612 G N -0.246 108.595 108.800 0.069 0.000 2.531 612 G HA2 0.465 4.425 3.960 -0.001 0.000 0.253 612 G HA3 0.465 4.425 3.960 -0.001 0.000 0.253 612 G C -0.147 174.870 174.900 0.194 0.000 1.439 612 G CA 0.578 45.748 45.100 0.116 0.000 1.056 612 G HN 0.321 nan 8.290 nan 0.000 0.555 613 T N 2.638 117.312 114.554 0.200 0.000 2.749 613 T HA 0.460 4.809 4.350 -0.001 0.000 0.287 613 T C -2.251 172.553 174.700 0.173 0.000 0.970 613 T CA -0.697 61.559 62.100 0.261 0.000 0.980 613 T CB 1.550 70.581 68.868 0.271 0.000 0.924 613 T HN 0.369 nan 8.240 nan 0.000 0.456 614 P HA 0.085 nan 4.420 nan 0.000 0.264 614 P C -0.657 176.670 177.300 0.044 0.000 1.193 614 P CA -0.298 62.867 63.100 0.108 0.000 0.763 614 P CB 0.662 32.444 31.700 0.137 0.000 0.810 615 R N 4.888 125.407 120.500 0.032 0.000 2.233 615 R HA 0.344 4.683 4.340 -0.001 0.000 0.334 615 R C -1.899 174.397 176.300 -0.007 0.000 1.037 615 R CA -1.945 54.159 56.100 0.006 0.000 0.920 615 R CB 0.324 30.633 30.300 0.016 0.000 1.137 615 R HN 0.439 nan 8.270 nan 0.000 0.492 616 P HA -0.041 nan 4.420 nan 0.000 0.270 616 P C -0.224 177.056 177.300 -0.033 0.000 1.227 616 P CA 0.014 63.091 63.100 -0.037 0.000 0.788 616 P CB 0.992 32.652 31.700 -0.066 0.000 0.926 617 L N 0.972 122.176 121.223 -0.032 0.000 2.416 617 L HA 0.412 4.751 4.340 -0.001 0.000 0.262 617 L C 1.009 177.820 176.870 -0.099 0.000 1.093 617 L CA -0.553 54.257 54.840 -0.050 0.000 0.801 617 L CB 0.762 42.799 42.059 -0.035 0.000 1.191 617 L HN 0.401 nan 8.230 nan 0.000 0.459 618 K N 2.518 122.840 120.400 -0.131 0.000 2.621 618 K HA 0.478 4.797 4.320 -0.001 0.000 0.233 618 K C -1.606 174.842 176.600 -0.252 0.000 0.972 618 K CA -0.566 55.612 56.287 -0.183 0.000 0.988 618 K CB 0.745 33.173 32.500 -0.119 0.000 1.187 618 K HN 0.304 nan 8.250 nan 0.000 0.471 619 L N 2.558 123.491 121.223 -0.484 0.000 2.352 619 L HA 0.593 4.932 4.340 -0.001 0.000 0.269 619 L C -0.531 176.076 176.870 -0.438 0.000 1.034 619 L CA -0.980 53.553 54.840 -0.511 0.000 0.806 619 L CB 1.737 43.343 42.059 -0.756 0.000 1.244 619 L HN 0.156 nan 8.230 nan 0.000 0.447 620 V N -0.410 119.395 119.914 -0.182 0.000 2.623 620 V HA 0.233 4.352 4.120 -0.001 0.000 0.304 620 V C -0.673 175.493 176.094 0.121 0.000 1.054 620 V CA -0.609 61.684 62.300 -0.011 0.000 0.882 620 V CB 1.515 33.332 31.823 -0.010 0.000 1.002 620 V HN 0.734 nan 8.190 nan 0.000 0.424 621 H N 3.852 122.985 119.070 0.106 0.000 3.067 621 H HA 0.243 4.799 4.556 -0.001 0.000 0.265 621 H C 0.819 176.170 175.328 0.038 0.000 1.234 621 H CA -0.185 55.922 56.048 0.100 0.000 1.452 621 H CB 0.696 30.544 29.762 0.143 0.000 1.527 621 H HN 0.795 nan 8.280 nan 0.000 0.486 622 E N 3.223 123.509 120.200 0.143 0.000 2.102 622 E HA 0.126 4.475 4.350 -0.001 0.000 0.190 622 E C 0.005 176.583 176.600 -0.038 0.000 0.971 622 E CA 0.344 56.757 56.400 0.022 0.000 0.821 622 E CB 0.561 30.266 29.700 0.008 0.000 0.777 622 E HN 0.493 nan 8.360 nan 0.000 0.460 623 A N 0.683 123.497 122.820 -0.010 0.000 2.459 623 A HA 0.674 4.993 4.320 -0.001 0.000 0.296 623 A C -0.257 177.263 177.584 -0.107 0.000 1.039 623 A CA -0.036 51.967 52.037 -0.058 0.000 0.698 623 A CB 1.789 20.843 19.000 0.091 0.000 1.261 623 A HN 0.190 nan 8.150 nan 0.000 0.405 624 G N 1.156 109.798 108.800 -0.264 0.000 2.351 624 G HA2 0.359 4.318 3.960 -0.001 0.000 0.353 624 G HA3 0.359 4.318 3.960 -0.001 0.000 0.353 624 G C -0.389 174.385 174.900 -0.211 0.000 1.358 624 G CA 0.281 45.255 45.100 -0.209 0.000 0.995 624 G HN 1.022 nan 8.290 nan 0.000 0.611 625 D N -1.590 118.763 120.400 -0.078 0.000 2.482 625 D HA 0.060 4.699 4.640 -0.001 0.000 0.251 625 D C 1.460 177.795 176.300 0.059 0.000 1.073 625 D CA 1.020 54.992 54.000 -0.046 0.000 0.892 625 D CB -0.195 40.562 40.800 -0.072 0.000 1.202 625 D HN 1.016 nan 8.370 nan 0.000 0.496 626 T N 1.601 116.201 114.554 0.077 0.000 2.898 626 T HA 0.089 4.439 4.350 -0.001 0.000 0.331 626 T C -2.152 172.587 174.700 0.064 0.000 1.085 626 T CA -0.795 61.326 62.100 0.034 0.000 1.129 626 T CB 0.461 69.321 68.868 -0.013 0.000 1.054 626 T HN -0.007 nan 8.240 nan 0.000 0.540 627 P HA 0.204 nan 4.420 nan 0.000 0.279 627 P C 1.331 178.528 177.300 -0.171 0.000 1.239 627 P CA -0.674 62.387 63.100 -0.065 0.000 0.789 627 P CB 0.884 32.521 31.700 -0.104 0.000 0.933 628 L N 1.862 122.980 121.223 -0.175 0.000 1.997 628 L HA -0.285 4.054 4.340 -0.001 0.000 0.216 628 L C 2.440 178.897 176.870 -0.688 0.000 1.074 628 L CA 2.101 56.690 54.840 -0.419 0.000 0.763 628 L CB -0.987 40.873 42.059 -0.332 0.000 0.890 628 L HN 0.436 nan 8.230 nan 0.000 0.434 629 E N 0.162 119.990 120.200 -0.619 0.000 2.114 629 E HA -0.278 4.072 4.350 -0.001 0.000 0.199 629 E C 2.161 178.414 176.600 -0.578 0.000 1.008 629 E CA 1.552 57.450 56.400 -0.837 0.000 0.810 629 E CB -0.329 29.052 29.700 -0.532 0.000 0.739 629 E HN 0.572 nan 8.360 nan 0.000 0.456 630 A N 0.445 123.042 122.820 -0.372 0.000 2.066 630 A HA -0.029 4.291 4.320 -0.001 0.000 0.218 630 A C 2.077 179.566 177.584 -0.159 0.000 1.157 630 A CA 0.677 52.572 52.037 -0.236 0.000 0.670 630 A CB -0.299 18.592 19.000 -0.183 0.000 0.804 630 A HN 0.105 nan 8.150 nan 0.000 0.453 631 L N -0.918 120.166 121.223 -0.232 0.000 2.034 631 L HA -0.083 4.256 4.340 -0.001 0.000 0.203 631 L C 3.098 179.923 176.870 -0.076 0.000 1.074 631 L CA 0.965 55.721 54.840 -0.139 0.000 0.748 631 L CB -0.763 41.189 42.059 -0.179 0.000 0.905 631 L HN 0.362 nan 8.230 nan 0.000 0.439 632 A N -0.608 122.086 122.820 -0.210 0.000 1.940 632 A HA -0.339 3.980 4.320 -0.001 0.000 0.221 632 A C 2.297 179.873 177.584 -0.014 0.000 1.190 632 A CA 2.275 54.265 52.037 -0.079 0.000 0.647 632 A CB -1.176 17.509 19.000 -0.526 0.000 0.821 632 A HN 0.590 nan 8.150 nan 0.000 0.457 633 H N -0.636 118.315 119.070 -0.199 0.000 2.293 633 H HA -0.164 4.391 4.556 -0.001 0.000 0.300 633 H C 2.253 177.511 175.328 -0.116 0.000 1.082 633 H CA 2.146 58.108 56.048 -0.143 0.000 1.308 633 H CB -0.232 29.386 29.762 -0.240 0.000 1.375 633 H HN 0.710 nan 8.280 nan 0.000 0.495 634 Q N 0.355 120.161 119.800 0.010 0.000 2.046 634 Q HA -0.084 4.255 4.340 -0.001 0.000 0.200 634 Q C 2.654 178.609 176.000 -0.075 0.000 0.975 634 Q CA 1.601 57.411 55.803 0.012 0.000 0.836 634 Q CB -0.036 28.766 28.738 0.107 0.000 0.896 634 Q HN 0.515 nan 8.270 nan 0.000 0.428 635 I N 0.444 121.016 120.570 0.003 0.000 2.208 635 I HA -0.274 3.895 4.170 -0.001 0.000 0.245 635 I C 2.181 178.344 176.117 0.077 0.000 1.097 635 I CA 1.178 62.501 61.300 0.038 0.000 1.363 635 I CB -0.333 37.732 38.000 0.109 0.000 1.051 635 I HN 0.332 nan 8.210 nan 0.000 0.413 636 F N 1.415 121.339 119.950 -0.043 0.000 2.134 636 F HA -0.260 4.266 4.527 -0.001 0.000 0.299 636 F C 2.495 178.295 175.800 -0.000 0.000 1.097 636 F CA 1.868 59.855 58.000 -0.022 0.000 1.264 636 F CB -0.701 38.289 39.000 -0.017 0.000 1.001 636 F HN 0.116 nan 8.300 nan 0.000 0.479 637 H N 0.325 119.125 119.070 -0.450 0.000 2.387 637 H HA -0.026 4.530 4.556 -0.001 0.000 0.299 637 H C 2.285 177.345 175.328 -0.446 0.000 1.090 637 H CA 1.635 57.356 56.048 -0.546 0.000 1.332 637 H CB -0.800 28.818 29.762 -0.242 0.000 1.386 637 H HN 0.285 nan 8.280 nan 0.000 0.516 638 L N -0.111 120.987 121.223 -0.208 0.000 2.551 638 L HA -0.142 4.198 4.340 -0.001 0.000 0.230 638 L C 1.933 178.707 176.870 -0.159 0.000 1.163 638 L CA 0.887 55.613 54.840 -0.190 0.000 0.826 638 L CB -0.323 41.652 42.059 -0.140 0.000 0.943 638 L HN 0.244 nan 8.230 nan 0.000 0.452 639 T N -0.980 113.438 114.554 -0.225 0.000 2.951 639 T HA -0.089 4.260 4.350 -0.001 0.000 0.268 639 T C 1.790 176.331 174.700 -0.265 0.000 1.073 639 T CA 0.909 62.885 62.100 -0.206 0.000 1.134 639 T CB -0.007 68.736 68.868 -0.209 0.000 0.884 639 T HN 0.194 nan 8.240 nan 0.000 0.479 640 R N 0.471 120.713 120.500 -0.431 0.000 2.300 640 R HA 0.359 4.698 4.340 -0.001 0.000 0.199 640 R C 1.623 177.872 176.300 -0.085 0.000 0.920 640 R CA 0.131 55.978 56.100 -0.422 0.000 1.046 640 R CB -0.318 29.548 30.300 -0.723 0.000 0.984 640 R HN 0.324 nan 8.270 nan 0.000 0.493 641 L N -0.144 121.033 121.223 -0.076 0.000 2.610 641 L HA 0.066 4.405 4.340 -0.001 0.000 0.232 641 L C 0.069 176.987 176.870 0.080 0.000 1.149 641 L CA -0.100 54.727 54.840 -0.021 0.000 0.872 641 L CB -0.181 41.843 42.059 -0.058 0.000 0.992 641 L HN 0.162 nan 8.230 nan 0.000 0.447 642 Y N 1.923 122.224 120.300 0.002 0.000 2.496 642 Y HA 0.087 4.636 4.550 -0.001 0.000 0.334 642 Y C -1.543 174.366 175.900 0.015 0.000 1.080 642 Y CA -2.544 55.577 58.100 0.035 0.000 1.355 642 Y CB 0.804 39.295 38.460 0.052 0.000 1.193 642 Y HN -0.067 nan 8.280 nan 0.000 0.523 643 P HA -0.049 nan 4.420 nan 0.000 0.216 643 P C -0.015 176.979 177.300 -0.510 0.000 1.153 643 P CA 1.907 64.739 63.100 -0.445 0.000 0.844 643 P CB 0.302 31.773 31.700 -0.383 0.000 0.787 644 A N -0.886 121.422 122.820 -0.853 0.000 2.833 644 A HA 0.282 4.602 4.320 -0.001 0.000 0.293 644 A C 1.551 179.050 177.584 -0.141 0.000 1.338 644 A CA 0.226 52.007 52.037 -0.426 0.000 0.959 644 A CB -0.827 17.983 19.000 -0.316 0.000 1.094 644 A HN 0.220 nan 8.150 nan 0.000 0.569 645 S N -1.649 113.999 115.700 -0.086 0.000 2.541 645 S HA 0.384 4.854 4.470 -0.001 0.000 0.219 645 S C 1.863 176.408 174.600 -0.091 0.000 1.025 645 S CA 1.167 59.422 58.200 0.092 0.000 0.917 645 S CB -0.821 62.501 63.200 0.203 0.000 0.859 645 S HN 1.682 nan 8.310 nan 0.000 0.584 646 G N 1.214 109.867 108.800 -0.245 0.000 2.494 646 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.252 646 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.252 646 G C 0.536 174.894 174.900 -0.904 0.000 1.025 646 G CA 1.180 45.936 45.100 -0.573 0.000 0.638 646 G HN 0.638 nan 8.290 nan 0.000 0.544 647 F N 1.004 120.876 119.950 -0.129 0.000 2.798 647 F HA 0.724 5.250 4.527 -0.001 0.000 0.328 647 F C 0.860 176.521 175.800 -0.232 0.000 1.098 647 F CA 0.178 58.083 58.000 -0.159 0.000 1.172 647 F CB 1.083 40.027 39.000 -0.093 0.000 1.072 647 F HN 0.714 nan 8.300 nan 0.000 0.555 648 A N -0.224 122.484 122.820 -0.186 0.000 2.590 648 A HA 0.593 4.913 4.320 -0.001 0.000 0.296 648 A C -1.491 175.957 177.584 -0.227 0.000 1.050 648 A CA -0.620 51.268 52.037 -0.249 0.000 0.697 648 A CB 0.227 19.198 19.000 -0.049 0.000 1.277 648 A HN 0.025 nan 8.150 nan 0.000 0.411 649 F N 2.561 122.521 119.950 0.017 0.000 2.385 649 F HA 0.556 5.083 4.527 -0.001 0.000 0.336 649 F C -1.389 174.372 175.800 -0.065 0.000 1.100 649 F CA -1.544 56.447 58.000 -0.015 0.000 1.116 649 F CB 1.208 40.200 39.000 -0.014 0.000 1.166 649 F HN 0.395 nan 8.300 nan 0.000 0.511 650 P HA 0.199 nan 4.420 nan 0.000 0.276 650 P C 0.076 177.326 177.300 -0.084 0.000 1.252 650 P CA -0.501 62.470 63.100 -0.216 0.000 0.802 650 P CB 1.372 32.598 31.700 -0.790 0.000 1.035 651 R N 0.072 120.531 120.500 -0.068 0.000 2.119 651 R HA 0.042 4.382 4.340 -0.001 0.000 0.222 651 R C 0.588 176.893 176.300 0.007 0.000 1.088 651 R CA 0.691 56.796 56.100 0.008 0.000 0.984 651 R CB -0.289 30.022 30.300 0.018 0.000 0.884 651 R HN 0.305 nan 8.270 nan 0.000 0.447 652 L N 1.216 122.421 121.223 -0.030 0.000 2.379 652 L HA 0.357 4.696 4.340 -0.001 0.000 0.269 652 L C -2.172 174.692 176.870 -0.010 0.000 1.084 652 L CA -2.306 52.536 54.840 0.004 0.000 0.802 652 L CB 1.171 43.257 42.059 0.045 0.000 1.175 652 L HN -0.052 nan 8.230 nan 0.000 0.448 653 P HA 0.079 nan 4.420 nan 0.000 0.271 653 P C 0.137 177.452 177.300 0.025 0.000 1.226 653 P CA 0.061 63.163 63.100 0.003 0.000 0.765 653 P CB 0.853 32.558 31.700 0.008 0.000 0.835 654 A N 6.979 129.816 122.820 0.029 0.000 1.935 654 A HA -0.242 4.078 4.320 -0.001 0.000 0.224 654 A C -0.391 177.266 177.584 0.122 0.000 1.324 654 A CA 2.370 54.477 52.037 0.117 0.000 0.686 654 A CB -2.630 16.445 19.000 0.126 0.000 0.837 654 A HN 0.480 nan 8.150 nan 0.000 0.481 655 P HA -0.188 nan 4.420 nan 0.000 0.215 655 P C 1.571 178.888 177.300 0.028 0.000 1.163 655 P CA 1.421 64.537 63.100 0.027 0.000 0.894 655 P CB -0.148 31.544 31.700 -0.012 0.000 0.791 656 L N -2.581 118.667 121.223 0.042 0.000 2.023 656 L HA -0.159 4.180 4.340 -0.001 0.000 0.205 656 L C 2.648 179.541 176.870 0.039 0.000 1.073 656 L CA 1.408 56.274 54.840 0.044 0.000 0.745 656 L CB -1.139 40.956 42.059 0.059 0.000 0.900 656 L HN 0.035 nan 8.230 nan 0.000 0.435 657 H N 0.235 119.274 119.070 -0.052 0.000 2.426 657 H HA -0.178 4.377 4.556 -0.001 0.000 0.298 657 H C 2.074 177.362 175.328 -0.067 0.000 1.107 657 H CA 1.690 57.667 56.048 -0.119 0.000 1.298 657 H CB 0.034 29.640 29.762 -0.259 0.000 1.377 657 H HN 0.147 nan 8.280 nan 0.000 0.519 658 L N -0.549 120.713 121.223 0.066 0.000 1.961 658 L HA -0.107 4.232 4.340 -0.001 0.000 0.209 658 L C 2.907 179.720 176.870 -0.095 0.000 1.075 658 L CA 1.014 55.970 54.840 0.194 0.000 0.749 658 L CB -0.912 41.358 42.059 0.352 0.000 0.890 658 L HN 0.419 nan 8.230 nan 0.000 0.433 659 A N 0.262 123.000 122.820 -0.137 0.000 1.915 659 A HA -0.335 3.985 4.320 -0.001 0.000 0.220 659 A C 1.866 179.309 177.584 -0.235 0.000 1.198 659 A CA 2.507 54.407 52.037 -0.228 0.000 0.647 659 A CB -0.932 18.005 19.000 -0.104 0.000 0.825 659 A HN 0.481 nan 8.150 nan 0.000 0.456 660 D N -0.735 119.567 120.400 -0.164 0.000 2.158 660 D HA -0.158 4.481 4.640 -0.001 0.000 0.197 660 D C 2.117 178.299 176.300 -0.197 0.000 0.995 660 D CA 1.292 55.196 54.000 -0.160 0.000 0.846 660 D CB -0.297 40.414 40.800 -0.148 0.000 0.941 660 D HN 0.441 nan 8.370 nan 0.000 0.456 661 R N -0.241 120.124 120.500 -0.225 0.000 2.153 661 R HA 0.034 4.373 4.340 -0.001 0.000 0.218 661 R C 2.172 178.342 176.300 -0.218 0.000 1.072 661 R CA 0.107 56.121 56.100 -0.144 0.000 0.990 661 R CB -0.485 29.824 30.300 0.015 0.000 0.889 661 R HN 0.225 nan 8.270 nan 0.000 0.452 662 L N 0.817 121.712 121.223 -0.547 0.000 2.109 662 L HA -0.054 4.285 4.340 -0.001 0.000 0.207 662 L C 2.028 178.684 176.870 -0.358 0.000 1.086 662 L CA 1.396 55.763 54.840 -0.789 0.000 0.760 662 L CB -0.294 41.030 42.059 -1.225 0.000 0.910 662 L HN -0.185 nan 8.230 nan 0.000 0.437 663 V N 0.364 120.126 119.914 -0.252 0.000 2.515 663 V HA -0.227 3.892 4.120 -0.001 0.000 0.250 663 V C 3.013 179.042 176.094 -0.107 0.000 1.058 663 V CA 2.017 64.231 62.300 -0.143 0.000 1.064 663 V CB -1.213 30.536 31.823 -0.123 0.000 0.675 663 V HN 0.622 nan 8.190 nan 0.000 0.461 664 K N -0.528 119.802 120.400 -0.118 0.000 2.148 664 K HA -0.159 4.160 4.320 -0.001 0.000 0.204 664 K C 1.995 178.566 176.600 -0.048 0.000 1.050 664 K CA 1.377 57.613 56.287 -0.085 0.000 0.942 664 K CB -0.358 32.086 32.500 -0.093 0.000 0.724 664 K HN 0.495 nan 8.250 nan 0.000 0.446 665 E N 0.164 120.338 120.200 -0.043 0.000 2.016 665 E HA -0.048 4.302 4.350 -0.001 0.000 0.190 665 E C 2.501 179.142 176.600 0.068 0.000 0.985 665 E CA 1.447 57.865 56.400 0.031 0.000 0.802 665 E CB -0.726 29.001 29.700 0.045 0.000 0.762 665 E HN 0.377 nan 8.360 nan 0.000 0.448 666 V N 1.370 121.317 119.914 0.054 0.000 2.527 666 V HA -0.242 3.878 4.120 -0.001 0.000 0.255 666 V C 2.267 178.392 176.094 0.051 0.000 1.081 666 V CA 2.857 65.200 62.300 0.072 0.000 1.092 666 V CB -1.163 30.695 31.823 0.057 0.000 0.673 666 V HN 0.266 nan 8.190 nan 0.000 0.470 667 G N -0.818 107.998 108.800 0.027 0.000 2.456 667 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.213 667 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.213 667 G C 1.866 176.805 174.900 0.065 0.000 1.215 667 G CA 2.295 47.410 45.100 0.026 0.000 0.805 667 G HN 0.801 nan 8.290 nan 0.000 0.537 668 R N 0.670 121.214 120.500 0.073 0.000 2.080 668 R HA 0.150 4.490 4.340 -0.001 0.000 0.236 668 R C 2.577 178.988 176.300 0.186 0.000 1.137 668 R CA 1.751 57.944 56.100 0.155 0.000 0.943 668 R CB -1.412 28.957 30.300 0.114 0.000 0.846 668 R HN 0.425 nan 8.270 nan 0.000 0.431 669 L N -0.814 120.490 121.223 0.136 0.000 2.291 669 L HA 0.200 4.540 4.340 -0.001 0.000 0.214 669 L C 1.374 178.291 176.870 0.079 0.000 1.120 669 L CA 0.725 55.632 54.840 0.111 0.000 0.799 669 L CB -0.361 41.757 42.059 0.099 0.000 0.925 669 L HN 0.729 nan 8.230 nan 0.000 0.446 670 G N 2.024 110.870 108.800 0.076 0.000 2.643 670 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.280 670 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.280 670 G C -0.355 174.571 174.900 0.044 0.000 1.120 670 G CA 0.206 45.340 45.100 0.056 0.000 1.165 670 G HN 0.444 nan 8.290 nan 0.000 0.540 671 I N -2.151 118.449 120.570 0.049 0.000 2.827 671 I HA 0.873 5.042 4.170 -0.001 0.000 0.298 671 I C 0.281 176.434 176.117 0.059 0.000 1.235 671 I CA -1.598 59.728 61.300 0.043 0.000 1.021 671 I CB 2.230 40.245 38.000 0.025 0.000 1.259 671 I HN 0.199 nan 8.210 nan 0.000 0.427 672 R N 1.616 122.152 120.500 0.060 0.000 2.534 672 R HA 0.341 4.681 4.340 -0.001 0.000 0.438 672 R C -0.884 175.463 176.300 0.078 0.000 0.913 672 R CA 0.093 56.238 56.100 0.076 0.000 1.130 672 R CB -0.490 29.849 30.300 0.065 0.000 1.611 672 R HN 1.060 nan 8.270 nan 0.000 0.571 673 H N -0.567 118.546 119.070 0.072 0.000 3.277 673 H HA 0.649 5.204 4.556 -0.001 0.000 0.329 673 H C -0.672 174.693 175.328 0.062 0.000 1.034 673 H CA 0.059 56.145 56.048 0.064 0.000 1.530 673 H CB 0.914 30.697 29.762 0.035 0.000 1.837 673 H HN 0.401 nan 8.280 nan 0.000 0.493 674 L N 1.655 122.952 121.223 0.123 0.000 3.108 674 L HA 0.742 5.081 4.340 -0.001 0.000 0.251 674 L C 1.838 178.789 176.870 0.135 0.000 1.315 674 L CA 0.817 55.722 54.840 0.109 0.000 1.048 674 L CB -1.208 40.997 42.059 0.244 0.000 1.432 674 L HN 1.200 nan 8.230 nan 0.000 0.543 675 K N -0.159 120.277 120.400 0.060 0.000 2.107 675 K HA -0.201 4.119 4.320 -0.001 0.000 0.211 675 K C 1.879 178.493 176.600 0.023 0.000 1.049 675 K CA 2.715 59.019 56.287 0.029 0.000 0.927 675 K CB -1.051 31.454 32.500 0.008 0.000 0.714 675 K HN 1.387 nan 8.250 nan 0.000 0.452 676 E N -0.260 119.949 120.200 0.015 0.000 2.474 676 E HA 0.391 4.740 4.350 -0.001 0.000 0.195 676 E C 0.648 177.273 176.600 0.041 0.000 1.039 676 E CA 0.434 56.841 56.400 0.013 0.000 0.881 676 E CB 0.006 29.702 29.700 -0.007 0.000 0.970 676 E HN 0.446 nan 8.360 nan 0.000 0.486 677 V N 2.432 122.403 119.914 0.096 0.000 2.432 677 V HA 0.197 4.316 4.120 -0.001 0.000 0.275 677 V C 0.128 176.382 176.094 0.266 0.000 1.043 677 V CA -1.103 61.312 62.300 0.191 0.000 0.925 677 V CB 1.494 33.451 31.823 0.223 0.000 0.985 677 V HN 0.458 nan 8.190 nan 0.000 0.466 678 D N 4.328 124.846 120.400 0.197 0.000 2.531 678 D HA 0.002 4.642 4.640 -0.001 0.000 0.239 678 D C 1.401 177.800 176.300 0.165 0.000 1.144 678 D CA 0.661 54.735 54.000 0.123 0.000 0.869 678 D CB 1.044 41.912 40.800 0.112 0.000 1.160 678 D HN 0.685 nan 8.370 nan 0.000 0.484 679 R N 3.760 124.160 120.500 -0.166 0.000 2.371 679 R HA -0.161 4.179 4.340 -0.001 0.000 0.226 679 R C 1.781 177.862 176.300 -0.365 0.000 1.132 679 R CA 1.846 57.510 56.100 -0.727 0.000 1.027 679 R CB -0.864 28.971 30.300 -0.776 0.000 0.848 679 R HN 0.743 nan 8.270 nan 0.000 0.479 680 E N -0.456 119.778 120.200 0.056 0.000 2.476 680 E HA 0.149 4.498 4.350 -0.001 0.000 0.196 680 E C -0.081 176.688 176.600 0.282 0.000 1.029 680 E CA 0.408 56.912 56.400 0.173 0.000 0.896 680 E CB 0.336 30.113 29.700 0.128 0.000 1.012 680 E HN 0.553 nan 8.360 nan 0.000 0.475 681 K N 1.483 122.149 120.400 0.444 0.000 2.354 681 K HA 0.285 4.605 4.320 -0.001 0.000 0.257 681 K C -0.101 176.708 176.600 0.349 0.000 1.062 681 K CA -0.441 56.049 56.287 0.338 0.000 0.971 681 K CB -0.317 32.358 32.500 0.290 0.000 1.305 681 K HN 0.163 nan 8.250 nan 0.000 0.449 682 L N 3.984 125.254 121.223 0.079 0.000 2.546 682 L HA 0.093 4.432 4.340 -0.001 0.000 0.272 682 L C 1.351 177.893 176.870 -0.546 0.000 1.327 682 L CA -0.172 54.426 54.840 -0.402 0.000 1.199 682 L CB -1.231 40.477 42.059 -0.585 0.000 1.401 682 L HN 0.876 nan 8.230 nan 0.000 0.440 683 F N 0.215 119.954 119.950 -0.352 0.000 2.451 683 F HA -0.116 4.410 4.527 -0.001 0.000 0.299 683 F C 1.736 177.406 175.800 -0.216 0.000 1.101 683 F CA 0.188 58.047 58.000 -0.235 0.000 1.436 683 F CB -0.772 38.129 39.000 -0.165 0.000 1.074 683 F HN 0.284 nan 8.300 nan 0.000 0.553 684 F N 0.835 120.247 119.950 -0.897 0.000 2.743 684 F HA 0.347 4.874 4.527 -0.001 0.000 0.297 684 F C 0.895 176.540 175.800 -0.259 0.000 1.131 684 F CA -0.951 56.678 58.000 -0.618 0.000 1.426 684 F CB -1.591 36.896 39.000 -0.854 0.000 1.116 684 F HN -0.054 nan 8.300 nan 0.000 0.583 685 V N 0.000 119.511 119.914 -0.671 0.000 2.409 685 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 685 V CA 0.000 62.110 62.300 -0.316 0.000 1.235 685 V CB 0.000 31.557 31.823 -0.443 0.000 1.184 685 V HN 0.000 nan 8.190 nan 0.000 0.556