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 2e1q_1_B DATA FIRST_RESID 3 DATA SEQUENCE ADKLVFFVNG RKVVEKNADP ETTLLAYLRR KLGLSGTKLG CGEGGCGACT DATA SEQUENCE VMLSKYDRLQ NKIVHFSANA CLAPICSLHH VAVTTVEGIG STKTRLHPVQ DATA SEQUENCE ERIAKSHGSQ CGFCTPGIVM SMYTLLRNQP EPTMEEIENA FQGNLCRCTG DATA SEQUENCE YRPILQGFRT FARDGXXXXX XXXXXXXXXX XXXXXXXXXS PSLFKPEEFT DATA SEQUENCE PLDPTQEPIF PPELLRLKDT PRKQLRFEGE RVTWIQASTL KELLDLKAQH DATA SEQUENCE PDAKLVVGNT EIGIEMKFKN MLFPMIVCPA WIPELNSVEH GPDGISFGAA DATA SEQUENCE CPLSIVEKTL VDAVAKLPAQ KTEVFRGVLE QLRWFAGKQV KSVASVGGNI DATA SEQUENCE ITASPISDLN PVFMASGAKL TLVSRGTRRT VQMDHTFFPG YRKTLLSPEE DATA SEQUENCE ILLSIEIPYS REGEYFSAFK QASRREDDIA KVTSGMRVLF KPGTTEVQEL DATA SEQUENCE ALCYGGMANR TISALKTTQR QLSKLWKEEL LQDVCAGLAE ELHLPPDAPG DATA SEQUENCE GMVDFRCTLT LSFFFKFYLT VLQKLGQENL EDKCGKLDPT FASATLLFQK DATA SEQUENCE DPPADVQLFQ EVPKGQSEED MVGRPLPHLA ADMQASGEAV YCDDIPRYEN DATA SEQUENCE ELSLRLVTST RAHAKIKSID TSEAKKVPGF VCFISADDVP GSNITGICND DATA SEQUENCE ETVFAKDKVT CVGHIIGAVV ADTPEHTQRA AQGVKITYEE LPAIITIEDA DATA SEQUENCE IKNNSFYGPE LKIEKGDLKK GFSEADNVVS GEIYIGGQEH FYLETHCTIA DATA SEQUENCE VPKGEAGEME LFVSTQNTMK TQSFVAKMLG VPANRIVVRV KRMGGGFGGK DATA SEQUENCE VTRSTVVSTA VALAAYKTGR PVRCMLDRDE DMLITGGRHP FLARYKVGFM DATA SEQUENCE KTGTVVALEV DHFSNVGNTQ DLSQSIMERA LFHMDNCYKI PNIRGTGRLC DATA SEQUENCE KTNLPSNTAF RGFGGPQGML IAECWMSEVA VTCGMPAEEV RRKNLYKEGD DATA SEQUENCE LTHFNQKLEG FTLPRCWEEC LASSQYHARK SEVDKFNKEN CWKKRGLCII DATA SEQUENCE PTKFGISFTV PFLNQAGALL HVYTDGSVLL THGGTEMGQG LHTKMVQVAS DATA SEQUENCE RALKIPTSKI YISETSTNTV PNTSPTAASV SADLNGQAVY AACQTILKRL DATA SEQUENCE EPYKKKNPSG SWEDWVTAAY MDTVSLSATG FYRTPNLGYS FETNSGNPFH DATA SEQUENCE YFSYGVACSE VEIDCLTGDH KNLRTDIVMD VGSSLNPAID IGQVEGAFVQ DATA SEQUENCE GLGLFTLEEL HYSPEGSLHT RGPSTYKIPA FGSIPIEFRV SLLRDCPNKK DATA SEQUENCE AIYASKAVGE PPLFLAASIF FAIKDAIRAA RAQHTGNNVK ELFRLDSPAT DATA SEQUENCE PEKIRNACVD KFTTLCVTGV PENCKPWSVR V 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.550 177.584 -0.056 0.000 1.274 3 A CA 0.000 51.949 52.037 -0.146 0.000 0.836 3 A CB 0.000 18.881 19.000 -0.199 0.000 0.831 4 D N -0.765 119.586 120.400 -0.081 0.000 4.192 4 D HA -0.189 4.451 4.640 -0.000 0.000 0.230 4 D C 0.465 176.956 176.300 0.319 0.000 1.345 4 D CA 2.469 56.549 54.000 0.133 0.000 2.318 4 D CB -0.775 40.078 40.800 0.089 0.000 1.238 4 D HN 0.637 nan 8.370 nan 0.000 0.417 5 K N 0.708 121.251 120.400 0.240 0.000 2.349 5 K HA 0.244 4.564 4.320 -0.000 0.000 0.289 5 K C -0.199 176.635 176.600 0.390 0.000 1.064 5 K CA -0.391 56.052 56.287 0.259 0.000 0.947 5 K CB 0.530 33.144 32.500 0.189 0.000 1.007 5 K HN 0.106 nan 8.250 nan 0.000 0.478 6 L N 5.045 126.446 121.223 0.297 0.000 2.292 6 L HA 0.338 4.678 4.340 -0.000 0.000 0.284 6 L C -1.132 175.939 176.870 0.334 0.000 1.065 6 L CA -0.269 54.742 54.840 0.285 0.000 0.806 6 L CB 1.515 43.460 42.059 -0.189 0.000 1.175 6 L HN 0.266 nan 8.230 nan 0.000 0.431 7 V N 6.832 127.043 119.914 0.494 0.000 2.569 7 V HA 0.611 4.731 4.120 -0.000 0.000 0.301 7 V C -0.571 175.690 176.094 0.277 0.000 1.044 7 V CA -0.389 62.042 62.300 0.218 0.000 0.874 7 V CB 1.122 33.057 31.823 0.186 0.000 1.002 7 V HN 0.756 nan 8.190 nan 0.000 0.424 8 F N 2.772 122.678 119.950 -0.073 0.000 2.869 8 F HA 0.908 5.435 4.527 -0.000 0.000 0.325 8 F C -1.832 173.899 175.800 -0.115 0.000 1.184 8 F CA -1.851 56.175 58.000 0.045 0.000 0.951 8 F CB 1.219 40.239 39.000 0.033 0.000 1.421 8 F HN 0.220 nan 8.300 nan 0.000 0.501 9 F N 0.573 120.560 119.950 0.061 0.000 2.563 9 F HA 0.755 5.282 4.527 -0.000 0.000 0.316 9 F C -0.713 175.107 175.800 0.033 0.000 1.076 9 F CA -1.383 56.574 58.000 -0.072 0.000 0.921 9 F CB 2.324 41.267 39.000 -0.094 0.000 1.209 9 F HN 0.374 nan 8.300 nan 0.000 0.462 10 V N 3.039 123.017 119.914 0.108 0.000 2.447 10 V HA 0.296 4.416 4.120 -0.000 0.000 0.292 10 V C -0.554 175.582 176.094 0.070 0.000 1.021 10 V CA -1.330 61.036 62.300 0.110 0.000 0.850 10 V CB 1.362 33.236 31.823 0.085 0.000 1.005 10 V HN 0.826 nan 8.190 nan 0.000 0.426 11 N N 4.232 122.971 118.700 0.066 0.000 2.727 11 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 11 N C 1.202 176.737 175.510 0.042 0.000 1.048 11 N CA 1.628 54.697 53.050 0.031 0.000 0.714 11 N CB -1.057 37.432 38.487 0.004 0.000 0.959 11 N HN 1.522 nan 8.380 nan 0.000 0.544 12 G N -1.178 107.671 108.800 0.082 0.000 2.383 12 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.229 12 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.229 12 G C 0.179 175.194 174.900 0.192 0.000 1.089 12 G CA 0.418 45.576 45.100 0.097 0.000 0.640 12 G HN 0.537 nan 8.290 nan 0.000 0.510 13 R N 1.310 121.861 120.500 0.085 0.000 2.389 13 R HA 0.494 4.833 4.340 -0.000 0.000 0.295 13 R C 0.555 176.725 176.300 -0.216 0.000 1.075 13 R CA -0.147 55.942 56.100 -0.017 0.000 1.005 13 R CB 0.907 31.172 30.300 -0.059 0.000 0.987 13 R HN 0.344 nan 8.270 nan 0.000 0.452 14 K N 2.442 122.563 120.400 -0.464 0.000 2.322 14 K HA 0.172 4.492 4.320 -0.000 0.000 0.283 14 K C -0.952 175.240 176.600 -0.680 0.000 1.042 14 K CA -0.259 55.377 56.287 -1.084 0.000 0.958 14 K CB 0.789 32.702 32.500 -0.978 0.000 0.984 14 K HN 0.268 nan 8.250 nan 0.000 0.473 15 V N 5.203 124.633 119.914 -0.807 0.000 2.409 15 V HA 0.252 4.372 4.120 -0.000 0.000 0.291 15 V C -0.730 175.047 176.094 -0.528 0.000 1.020 15 V CA -0.891 61.020 62.300 -0.648 0.000 0.848 15 V CB 1.744 32.993 31.823 -0.957 0.000 0.990 15 V HN 0.543 nan 8.190 nan 0.000 0.430 16 V N 4.138 123.887 119.914 -0.275 0.000 2.304 16 V HA 0.398 4.518 4.120 -0.000 0.000 0.278 16 V C -0.170 175.900 176.094 -0.040 0.000 1.018 16 V CA -0.601 61.623 62.300 -0.128 0.000 0.814 16 V CB 1.500 33.276 31.823 -0.078 0.000 1.021 16 V HN 0.899 nan 8.190 nan 0.000 0.440 17 E N 3.780 123.982 120.200 0.002 0.000 2.115 17 E HA 0.335 4.685 4.350 -0.000 0.000 0.282 17 E C 0.737 177.377 176.600 0.066 0.000 0.987 17 E CA -0.132 56.302 56.400 0.057 0.000 0.797 17 E CB 1.257 30.995 29.700 0.063 0.000 1.086 17 E HN 0.508 nan 8.360 nan 0.000 0.397 18 K N 2.929 123.371 120.400 0.070 0.000 2.305 18 K HA 0.135 4.455 4.320 -0.000 0.000 0.199 18 K C -0.022 176.636 176.600 0.097 0.000 1.047 18 K CA 0.469 56.807 56.287 0.085 0.000 0.976 18 K CB 0.336 32.875 32.500 0.066 0.000 0.765 18 K HN 0.348 nan 8.250 nan 0.000 0.474 19 N N 1.018 119.766 118.700 0.081 0.000 2.723 19 N HA 0.160 4.900 4.740 -0.000 0.000 0.290 19 N C -1.245 174.301 175.510 0.059 0.000 1.882 19 N CA -0.122 52.979 53.050 0.085 0.000 0.851 19 N CB 1.470 40.001 38.487 0.074 0.000 1.234 19 N HN 0.030 nan 8.380 nan 0.000 0.491 20 A N 0.696 123.521 122.820 0.008 0.000 2.546 20 A HA 0.037 4.357 4.320 -0.000 0.000 0.243 20 A C 0.260 177.800 177.584 -0.074 0.000 1.063 20 A CA 0.376 52.332 52.037 -0.136 0.000 0.757 20 A CB 0.386 19.071 19.000 -0.526 0.000 0.991 20 A HN 0.306 nan 8.150 nan 0.000 0.503 21 D N 2.960 123.322 120.400 -0.064 0.000 2.303 21 D HA 0.363 5.003 4.640 -0.000 0.000 0.236 21 D C -1.954 174.315 176.300 -0.053 0.000 1.068 21 D CA -1.811 52.186 54.000 -0.006 0.000 0.830 21 D CB 1.762 42.580 40.800 0.030 0.000 1.109 21 D HN 0.122 nan 8.370 nan 0.000 0.496 22 P HA -0.099 nan 4.420 nan 0.000 0.220 22 P C 0.291 177.630 177.300 0.066 0.000 1.144 22 P CA 1.089 64.222 63.100 0.055 0.000 0.800 22 P CB 0.326 32.191 31.700 0.275 0.000 0.772 23 E N -1.954 118.282 120.200 0.060 0.000 2.463 23 E HA 0.058 4.408 4.350 -0.000 0.000 0.193 23 E C -0.076 176.539 176.600 0.026 0.000 1.041 23 E CA 0.150 56.587 56.400 0.062 0.000 0.879 23 E CB -0.067 29.674 29.700 0.068 0.000 0.997 23 E HN 0.174 nan 8.360 nan 0.000 0.478 24 T N 2.113 116.663 114.554 -0.007 0.000 2.749 24 T HA 0.130 4.480 4.350 -0.000 0.000 0.295 24 T C 0.365 175.055 174.700 -0.018 0.000 0.936 24 T CA -0.390 61.713 62.100 0.005 0.000 1.060 24 T CB 1.070 69.955 68.868 0.029 0.000 0.904 24 T HN 0.124 nan 8.240 nan 0.000 0.500 25 T N 1.349 115.916 114.554 0.021 0.000 2.899 25 T HA 0.310 4.660 4.350 -0.000 0.000 0.284 25 T C 1.375 176.094 174.700 0.031 0.000 1.004 25 T CA -0.979 61.130 62.100 0.016 0.000 1.043 25 T CB 0.738 69.635 68.868 0.047 0.000 1.013 25 T HN 0.268 nan 8.240 nan 0.000 0.518 26 L N 1.580 122.799 121.223 -0.007 0.000 2.083 26 L HA 0.071 4.411 4.340 -0.000 0.000 0.209 26 L C 2.092 179.021 176.870 0.100 0.000 1.083 26 L CA 1.566 56.412 54.840 0.010 0.000 0.752 26 L CB -1.320 40.714 42.059 -0.041 0.000 0.899 26 L HN 0.781 nan 8.230 nan 0.000 0.433 27 L N -0.041 121.228 121.223 0.077 0.000 2.056 27 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 27 L C 2.506 179.427 176.870 0.085 0.000 1.078 27 L CA 2.062 56.950 54.840 0.079 0.000 0.749 27 L CB -1.103 40.999 42.059 0.072 0.000 0.901 27 L HN 0.270 nan 8.230 nan 0.000 0.433 28 A N -1.567 121.305 122.820 0.086 0.000 1.902 28 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 28 A C 2.280 179.912 177.584 0.080 0.000 1.181 28 A CA 1.845 53.922 52.037 0.068 0.000 0.623 28 A CB -1.137 17.897 19.000 0.057 0.000 0.818 28 A HN 0.603 nan 8.150 nan 0.000 0.443 29 Y N 0.332 120.638 120.300 0.010 0.000 2.133 29 Y HA -0.145 4.405 4.550 -0.000 0.000 0.287 29 Y C 2.137 178.057 175.900 0.034 0.000 1.134 29 Y CA 1.920 60.037 58.100 0.028 0.000 1.133 29 Y CB -0.280 38.218 38.460 0.063 0.000 0.987 29 Y HN 0.216 nan 8.280 nan 0.000 0.502 30 L N -0.337 121.028 121.223 0.237 0.000 2.013 30 L HA -0.304 4.036 4.340 -0.000 0.000 0.212 30 L C 2.581 179.469 176.870 0.030 0.000 1.073 30 L CA 1.826 56.749 54.840 0.138 0.000 0.753 30 L CB -0.566 41.565 42.059 0.119 0.000 0.890 30 L HN 0.192 nan 8.230 nan 0.000 0.432 31 R N -0.280 120.234 120.500 0.022 0.000 2.057 31 R HA -0.061 4.278 4.340 -0.000 0.000 0.229 31 R C 2.114 178.389 176.300 -0.041 0.000 1.136 31 R CA 1.164 57.262 56.100 -0.004 0.000 0.952 31 R CB -0.160 30.149 30.300 0.016 0.000 0.848 31 R HN 0.272 nan 8.270 nan 0.000 0.430 32 R N -0.142 120.321 120.500 -0.062 0.000 2.359 32 R HA 0.066 4.406 4.340 -0.000 0.000 0.231 32 R C 1.312 177.510 176.300 -0.171 0.000 0.913 32 R CA 0.295 56.340 56.100 -0.093 0.000 1.075 32 R CB 0.466 30.726 30.300 -0.066 0.000 1.087 32 R HN -0.080 nan 8.270 nan 0.000 0.515 33 K N -0.266 119.973 120.400 -0.269 0.000 2.424 33 K HA 0.226 4.546 4.320 -0.000 0.000 0.200 33 K C 1.107 177.510 176.600 -0.328 0.000 1.279 33 K CA 0.503 56.526 56.287 -0.439 0.000 0.918 33 K CB 0.676 32.537 32.500 -1.065 0.000 1.287 33 K HN -0.021 nan 8.250 nan 0.000 0.502 34 L N -0.723 120.362 121.223 -0.231 0.000 2.616 34 L HA 0.366 4.706 4.340 -0.000 0.000 0.229 34 L C 0.685 177.509 176.870 -0.076 0.000 1.110 34 L CA 0.330 55.102 54.840 -0.114 0.000 0.884 34 L CB 0.432 42.477 42.059 -0.022 0.000 1.115 34 L HN 0.413 nan 8.230 nan 0.000 0.481 35 G N 1.610 110.363 108.800 -0.078 0.000 2.198 35 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 35 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 35 G C 0.036 174.915 174.900 -0.036 0.000 1.042 35 G CA -0.111 44.954 45.100 -0.058 0.000 0.791 35 G HN 0.257 nan 8.290 nan 0.000 0.502 36 L N 1.118 122.329 121.223 -0.021 0.000 2.314 36 L HA 0.337 4.677 4.340 -0.000 0.000 0.275 36 L C 1.549 178.417 176.870 -0.003 0.000 1.068 36 L CA -0.373 54.462 54.840 -0.008 0.000 0.894 36 L CB 1.213 43.275 42.059 0.005 0.000 1.275 36 L HN 0.128 nan 8.230 nan 0.000 0.432 37 S N 1.321 117.020 115.700 -0.002 0.000 2.453 37 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 37 S C 2.108 176.708 174.600 -0.000 0.000 1.005 37 S CA 0.964 59.171 58.200 0.012 0.000 0.949 37 S CB 0.050 63.269 63.200 0.032 0.000 0.774 37 S HN 0.903 nan 8.310 nan 0.000 0.510 38 G N 2.067 110.862 108.800 -0.009 0.000 2.574 38 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 38 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 38 G C 0.575 175.429 174.900 -0.077 0.000 1.173 38 G CA 1.166 46.249 45.100 -0.029 0.000 0.772 38 G HN 0.497 nan 8.290 nan 0.000 0.585 39 T N 2.752 117.272 114.554 -0.056 0.000 2.817 39 T HA 0.374 4.724 4.350 -0.000 0.000 0.295 39 T C 0.117 174.755 174.700 -0.103 0.000 0.958 39 T CA 0.008 62.069 62.100 -0.065 0.000 1.157 39 T CB 1.156 70.015 68.868 -0.015 0.000 0.898 39 T HN 0.075 nan 8.240 nan 0.000 0.536 40 K N 2.104 122.381 120.400 -0.205 0.000 2.139 40 K HA 0.510 4.830 4.320 -0.000 0.000 0.243 40 K C -0.473 176.094 176.600 -0.056 0.000 0.983 40 K CA -1.156 54.961 56.287 -0.282 0.000 0.890 40 K CB 1.678 33.574 32.500 -1.007 0.000 1.090 40 K HN 0.396 nan 8.250 nan 0.000 0.445 41 L N 0.660 121.943 121.223 0.100 0.000 2.265 41 L HA 0.425 4.765 4.340 -0.000 0.000 0.289 41 L C 0.680 177.724 176.870 0.290 0.000 1.033 41 L CA 0.482 55.426 54.840 0.173 0.000 0.814 41 L CB 1.091 43.247 42.059 0.161 0.000 1.203 41 L HN 0.817 nan 8.230 nan 0.000 0.423 42 G N 2.277 111.233 108.800 0.259 0.000 2.781 42 G HA2 0.099 4.058 3.960 -0.000 0.000 0.208 42 G HA3 0.099 4.058 3.960 -0.000 0.000 0.208 42 G C 0.751 175.783 174.900 0.219 0.000 1.099 42 G CA 0.714 45.989 45.100 0.292 0.000 0.776 42 G HN 0.888 nan 8.290 nan 0.000 0.532 43 C N -3.652 115.788 119.300 0.233 0.000 4.921 43 C HA 0.519 4.979 4.460 -0.000 0.000 0.477 43 C C 2.021 177.189 174.990 0.297 0.000 1.492 43 C CA 0.498 59.669 59.018 0.255 0.000 2.292 43 C CB 0.092 28.012 27.740 0.300 0.000 3.214 43 C HN 1.397 nan 8.230 nan 0.000 0.562 44 G N 1.876 110.832 108.800 0.259 0.000 2.212 44 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.267 44 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.267 44 G C 0.483 175.603 174.900 0.367 0.000 1.002 44 G CA 1.236 46.494 45.100 0.264 0.000 0.729 44 G HN 0.917 nan 8.290 nan 0.000 0.517 45 E N -0.708 119.692 120.200 0.333 0.000 2.562 45 E HA 0.391 4.741 4.350 -0.000 0.000 0.214 45 E C 1.849 178.569 176.600 0.199 0.000 0.979 45 E CA 0.644 57.215 56.400 0.285 0.000 1.002 45 E CB -0.288 29.488 29.700 0.126 0.000 1.048 45 E HN 1.297 nan 8.360 nan 0.000 0.488 46 G N 0.350 109.271 108.800 0.201 0.000 2.179 46 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 46 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 46 G C 0.787 175.786 174.900 0.164 0.000 0.977 46 G CA 0.260 45.464 45.100 0.174 0.000 0.641 46 G HN 0.462 nan 8.290 nan 0.000 0.533 47 G N -0.756 108.148 108.800 0.173 0.000 3.020 47 G HA2 0.289 4.249 3.960 -0.000 0.000 0.217 47 G HA3 0.289 4.249 3.960 -0.000 0.000 0.217 47 G C 1.641 176.658 174.900 0.195 0.000 1.144 47 G CA 1.699 46.897 45.100 0.164 0.000 0.760 47 G HN 1.471 nan 8.290 nan 0.000 0.548 48 C N -2.272 117.170 119.300 0.237 0.000 2.820 48 C HA 0.555 5.014 4.460 -0.000 0.000 0.323 48 C C 2.244 177.383 174.990 0.248 0.000 1.279 48 C CA 0.780 59.962 59.018 0.274 0.000 1.790 48 C CB -0.076 27.882 27.740 0.364 0.000 2.328 48 C HN 1.071 nan 8.230 nan 0.000 0.579 49 G N 0.992 109.919 108.800 0.212 0.000 2.162 49 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.260 49 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.260 49 G C 1.165 176.156 174.900 0.153 0.000 0.976 49 G CA 0.706 45.918 45.100 0.186 0.000 0.655 49 G HN 1.548 nan 8.290 nan 0.000 0.533 50 A N -0.307 122.599 122.820 0.144 0.000 2.172 50 A HA 0.207 4.527 4.320 -0.000 0.000 0.216 50 A C 2.365 179.951 177.584 0.003 0.000 1.154 50 A CA 2.247 54.317 52.037 0.055 0.000 0.701 50 A CB -0.766 18.264 19.000 0.050 0.000 0.789 50 A HN 1.839 nan 8.150 nan 0.000 0.465 51 C N -2.073 117.262 119.300 0.058 0.000 2.778 51 C HA 0.370 4.830 4.460 -0.000 0.000 0.294 51 C C 0.716 175.738 174.990 0.053 0.000 1.331 51 C CA -0.451 58.594 59.018 0.045 0.000 1.741 51 C CB -2.001 25.784 27.740 0.075 0.000 2.106 51 C HN 0.293 nan 8.230 nan 0.000 0.603 52 T N 2.908 117.501 114.554 0.064 0.000 2.867 52 T HA 0.421 4.771 4.350 -0.000 0.000 0.297 52 T C 0.332 175.054 174.700 0.037 0.000 0.989 52 T CA 0.792 62.933 62.100 0.069 0.000 1.159 52 T CB 0.668 69.595 68.868 0.099 0.000 0.928 52 T HN 0.936 nan 8.240 nan 0.000 0.538 53 V N 1.356 121.286 119.914 0.026 0.000 3.167 53 V HA 0.774 4.894 4.120 -0.000 0.000 0.310 53 V C -0.658 175.426 176.094 -0.018 0.000 1.207 53 V CA -1.501 60.798 62.300 -0.002 0.000 1.059 53 V CB 2.354 34.175 31.823 -0.003 0.000 1.079 53 V HN 0.854 nan 8.190 nan 0.000 0.446 54 M N 2.115 121.695 119.600 -0.033 0.000 2.364 54 M HA 0.683 5.163 4.480 -0.000 0.000 0.334 54 M C -1.796 174.430 176.300 -0.122 0.000 1.107 54 M CA -0.650 54.615 55.300 -0.059 0.000 0.988 54 M CB 1.535 34.154 32.600 0.032 0.000 1.673 54 M HN 0.759 nan 8.290 nan 0.000 0.441 55 L N 2.927 123.944 121.223 -0.342 0.000 2.334 55 L HA 0.678 5.018 4.340 -0.000 0.000 0.273 55 L C -0.595 176.056 176.870 -0.365 0.000 1.013 55 L CA -0.620 53.968 54.840 -0.419 0.000 0.816 55 L CB 2.238 43.852 42.059 -0.742 0.000 1.278 55 L HN 0.715 nan 8.230 nan 0.000 0.431 56 S N 1.570 117.248 115.700 -0.037 0.000 2.540 56 S HA 0.680 5.150 4.470 -0.000 0.000 0.275 56 S C -1.278 173.475 174.600 0.256 0.000 1.123 56 S CA -0.931 57.342 58.200 0.121 0.000 0.907 56 S CB 2.402 65.826 63.200 0.374 0.000 1.081 56 S HN 0.660 nan 8.310 nan 0.000 0.476 57 K N 0.638 121.114 120.400 0.127 0.000 2.579 57 K HA 0.423 4.743 4.320 -0.000 0.000 0.284 57 K C -1.944 174.621 176.600 -0.059 0.000 0.990 57 K CA -0.998 55.416 56.287 0.212 0.000 0.880 57 K CB 1.129 33.782 32.500 0.255 0.000 1.488 57 K HN 0.530 nan 8.250 nan 0.000 0.425 58 Y N 2.138 122.407 120.300 -0.051 0.000 2.452 58 Y HA 0.167 4.717 4.550 -0.000 0.000 0.348 58 Y C -0.529 175.321 175.900 -0.083 0.000 0.985 58 Y CA -0.476 57.528 58.100 -0.161 0.000 1.214 58 Y CB 0.855 39.293 38.460 -0.037 0.000 1.136 58 Y HN 0.670 nan 8.280 nan 0.000 0.523 59 D N 5.763 125.768 120.400 -0.659 0.000 2.336 59 D HA 0.038 4.678 4.640 -0.000 0.000 0.249 59 D C 0.962 176.744 176.300 -0.864 0.000 1.213 59 D CA -0.113 53.564 54.000 -0.539 0.000 0.870 59 D CB 0.895 41.484 40.800 -0.352 0.000 1.076 59 D HN 0.735 nan 8.370 nan 0.000 0.483 60 R N 3.678 123.835 120.500 -0.572 0.000 2.189 60 R HA -0.065 4.275 4.340 -0.000 0.000 0.223 60 R C 1.635 177.805 176.300 -0.216 0.000 1.092 60 R CA 0.788 56.676 56.100 -0.353 0.000 0.989 60 R CB -0.560 29.712 30.300 -0.047 0.000 0.876 60 R HN 0.450 nan 8.270 nan 0.000 0.457 61 L N 0.323 121.427 121.223 -0.199 0.000 2.005 61 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 61 L C 2.031 178.822 176.870 -0.132 0.000 1.072 61 L CA 2.203 56.967 54.840 -0.127 0.000 0.744 61 L CB -0.531 41.466 42.059 -0.103 0.000 0.895 61 L HN 0.397 nan 8.230 nan 0.000 0.433 62 Q N -0.399 119.295 119.800 -0.176 0.000 2.319 62 Q HA -0.012 4.328 4.340 -0.000 0.000 0.202 62 Q C 0.311 176.216 176.000 -0.159 0.000 0.896 62 Q CA 0.447 56.164 55.803 -0.145 0.000 0.942 62 Q CB -0.539 28.118 28.738 -0.135 0.000 1.083 62 Q HN 0.513 nan 8.270 nan 0.000 0.510 63 N N 0.671 119.227 118.700 -0.240 0.000 2.667 63 N HA -0.196 4.543 4.740 -0.000 0.000 0.263 63 N C -1.418 174.021 175.510 -0.118 0.000 1.038 63 N CA 0.324 53.270 53.050 -0.174 0.000 0.749 63 N CB -0.278 38.225 38.487 0.027 0.000 0.892 63 N HN 0.174 nan 8.380 nan 0.000 0.546 64 K N 1.378 121.607 120.400 -0.284 0.000 2.575 64 K HA 0.439 4.759 4.320 -0.000 0.000 0.279 64 K C -1.015 175.422 176.600 -0.270 0.000 0.969 64 K CA -0.591 55.592 56.287 -0.173 0.000 0.868 64 K CB 1.320 33.729 32.500 -0.152 0.000 1.457 64 K HN 0.220 nan 8.250 nan 0.000 0.426 65 I N 2.345 122.753 120.570 -0.271 0.000 2.312 65 I HA 0.206 4.376 4.170 -0.000 0.000 0.291 65 I C 0.440 176.238 176.117 -0.532 0.000 1.031 65 I CA -0.868 60.127 61.300 -0.509 0.000 1.293 65 I CB 1.424 39.011 38.000 -0.690 0.000 1.403 65 I HN 0.122 nan 8.210 nan 0.000 0.484 66 V N 7.459 127.089 119.914 -0.472 0.000 2.612 66 V HA 0.479 4.599 4.120 -0.000 0.000 0.301 66 V C -0.618 175.254 176.094 -0.369 0.000 1.046 66 V CA -0.266 61.842 62.300 -0.319 0.000 0.946 66 V CB 1.494 33.253 31.823 -0.107 0.000 1.003 66 V HN 0.594 nan 8.190 nan 0.000 0.459 67 H N 6.601 125.743 119.070 0.121 0.000 2.589 67 H HA 0.595 5.151 4.556 -0.000 0.000 0.351 67 H C -1.024 174.442 175.328 0.229 0.000 1.074 67 H CA -0.139 55.969 56.048 0.099 0.000 1.203 67 H CB 1.656 31.419 29.762 0.003 0.000 1.558 67 H HN 0.706 nan 8.280 nan 0.000 0.522 68 F N -0.593 119.422 119.950 0.109 0.000 2.668 68 F HA 0.530 5.057 4.527 -0.000 0.000 0.309 68 F C -0.340 175.499 175.800 0.064 0.000 1.117 68 F CA -1.255 56.777 58.000 0.053 0.000 0.951 68 F CB 0.890 39.903 39.000 0.020 0.000 1.323 68 F HN 0.367 nan 8.300 nan 0.000 0.451 69 S N 1.231 117.016 115.700 0.142 0.000 2.672 69 S HA 0.980 5.450 4.470 -0.000 0.000 0.276 69 S C -0.513 174.161 174.600 0.123 0.000 1.207 69 S CA 0.025 58.262 58.200 0.061 0.000 1.002 69 S CB 1.490 64.732 63.200 0.070 0.000 0.998 69 S HN 1.966 nan 8.310 nan 0.000 0.542 70 A N 1.051 123.918 122.820 0.079 0.000 2.586 70 A HA 0.586 4.906 4.320 -0.000 0.000 0.291 70 A C -1.421 176.220 177.584 0.095 0.000 1.062 70 A CA -1.025 51.083 52.037 0.117 0.000 0.666 70 A CB 0.728 19.806 19.000 0.130 0.000 1.281 70 A HN 0.758 nan 8.150 nan 0.000 0.421 71 N N 1.373 120.141 118.700 0.114 0.000 2.415 71 N HA 0.348 5.088 4.740 -0.000 0.000 0.246 71 N C 1.183 176.749 175.510 0.094 0.000 1.078 71 N CA 0.588 53.705 53.050 0.110 0.000 0.942 71 N CB 1.661 40.227 38.487 0.132 0.000 1.140 71 N HN 0.800 nan 8.380 nan 0.000 0.501 72 A N 1.784 124.649 122.820 0.075 0.000 2.024 72 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 72 A C 2.223 179.850 177.584 0.071 0.000 1.164 72 A CA 1.340 53.413 52.037 0.059 0.000 0.643 72 A CB -0.585 18.446 19.000 0.052 0.000 0.806 72 A HN 0.862 nan 8.150 nan 0.000 0.451 73 C N -2.507 116.850 119.300 0.094 0.000 2.500 73 C HA 0.411 4.871 4.460 -0.000 0.000 0.273 73 C C 1.779 176.840 174.990 0.118 0.000 1.428 73 C CA 0.481 59.565 59.018 0.109 0.000 1.766 73 C CB -1.363 26.459 27.740 0.136 0.000 1.817 73 C HN 0.441 nan 8.230 nan 0.000 0.543 74 L N 0.439 121.733 121.223 0.119 0.000 2.858 74 L HA 0.392 4.732 4.340 -0.000 0.000 0.251 74 L C 1.263 178.201 176.870 0.113 0.000 1.149 74 L CA 0.158 55.077 54.840 0.131 0.000 0.955 74 L CB -0.024 42.127 42.059 0.154 0.000 1.289 74 L HN 0.244 nan 8.230 nan 0.000 0.542 75 A N 1.325 124.192 122.820 0.080 0.000 2.276 75 A HA 0.591 4.911 4.320 -0.000 0.000 0.300 75 A C -2.497 175.076 177.584 -0.017 0.000 1.235 75 A CA -1.238 50.828 52.037 0.048 0.000 0.867 75 A CB -0.047 18.970 19.000 0.029 0.000 1.137 75 A HN -0.126 nan 8.150 nan 0.000 0.527 76 P HA 0.179 nan 4.420 nan 0.000 0.281 76 P C 1.216 178.308 177.300 -0.346 0.000 1.252 76 P CA -0.468 62.537 63.100 -0.160 0.000 0.778 76 P CB 0.702 32.318 31.700 -0.140 0.000 0.895 77 I N -0.041 120.287 120.570 -0.403 0.000 2.423 77 I HA -0.248 3.922 4.170 -0.000 0.000 0.254 77 I C 1.109 176.791 176.117 -0.725 0.000 1.151 77 I CA 1.532 62.463 61.300 -0.615 0.000 1.421 77 I CB -0.998 36.613 38.000 -0.648 0.000 1.079 77 I HN 0.172 nan 8.210 nan 0.000 0.431 78 C N 1.739 120.527 119.300 -0.855 0.000 2.430 78 C HA -0.060 4.400 4.460 -0.000 0.000 0.288 78 C C 3.017 177.428 174.990 -0.966 0.000 1.448 78 C CA 1.342 59.637 59.018 -1.205 0.000 1.784 78 C CB -1.620 25.131 27.740 -1.647 0.000 1.776 78 C HN 0.807 nan 8.230 nan 0.000 0.547 79 S N -0.570 114.729 115.700 -0.668 0.000 2.556 79 S HA 0.228 4.698 4.470 -0.000 0.000 0.216 79 S C 0.909 175.505 174.600 -0.007 0.000 0.970 79 S CA 0.251 58.368 58.200 -0.138 0.000 0.912 79 S CB -0.370 62.883 63.200 0.089 0.000 0.790 79 S HN 0.632 nan 8.310 nan 0.000 0.504 80 L N 1.686 122.801 121.223 -0.181 0.000 2.728 80 L HA 0.365 4.705 4.340 -0.000 0.000 0.235 80 L C 0.447 177.343 176.870 0.044 0.000 1.197 80 L CA -0.474 54.287 54.840 -0.132 0.000 0.992 80 L CB -0.756 41.012 42.059 -0.485 0.000 1.263 80 L HN 0.319 nan 8.230 nan 0.000 0.484 81 H N 0.987 120.143 119.070 0.144 0.000 3.046 81 H HA -0.001 4.555 4.556 -0.000 0.000 0.303 81 H C 0.465 176.063 175.328 0.450 0.000 1.002 81 H CA 0.806 57.045 56.048 0.318 0.000 1.460 81 H CB -0.139 29.884 29.762 0.435 0.000 1.493 81 H HN 0.224 nan 8.280 nan 0.000 0.559 82 H N 1.324 120.372 119.070 -0.037 0.000 2.903 82 H HA -0.154 4.402 4.556 -0.000 0.000 0.285 82 H C -0.804 174.640 175.328 0.194 0.000 1.231 82 H CA 0.217 56.294 56.048 0.048 0.000 1.135 82 H CB -1.333 28.415 29.762 -0.023 0.000 1.328 82 H HN 0.212 nan 8.280 nan 0.000 0.388 83 V N 0.255 120.382 119.914 0.356 0.000 2.667 83 V HA 0.687 4.807 4.120 -0.000 0.000 0.308 83 V C 0.241 176.522 176.094 0.312 0.000 1.048 83 V CA -0.172 62.305 62.300 0.296 0.000 0.928 83 V CB 1.909 33.863 31.823 0.218 0.000 1.004 83 V HN 0.371 nan 8.190 nan 0.000 0.444 84 A N 3.912 126.882 122.820 0.250 0.000 2.258 84 A HA 0.738 5.058 4.320 -0.000 0.000 0.316 84 A C -0.593 177.097 177.584 0.176 0.000 1.279 84 A CA -0.405 51.759 52.037 0.212 0.000 0.876 84 A CB 0.739 19.791 19.000 0.086 0.000 1.170 84 A HN 0.623 nan 8.150 nan 0.000 0.520 85 V N 2.529 122.559 119.914 0.193 0.000 2.509 85 V HA 0.519 4.639 4.120 -0.000 0.000 0.284 85 V C 0.325 176.469 176.094 0.083 0.000 1.047 85 V CA -0.065 62.306 62.300 0.117 0.000 0.952 85 V CB 1.709 33.620 31.823 0.147 0.000 0.988 85 V HN 0.884 nan 8.190 nan 0.000 0.469 86 T N 3.141 117.713 114.554 0.030 0.000 2.847 86 T HA 0.492 4.842 4.350 -0.000 0.000 0.291 86 T C 0.113 174.777 174.700 -0.060 0.000 0.998 86 T CA -0.506 61.583 62.100 -0.019 0.000 0.967 86 T CB 1.350 70.194 68.868 -0.040 0.000 0.954 86 T HN 0.933 nan 8.240 nan 0.000 0.441 87 T N -0.524 113.994 114.554 -0.061 0.000 2.884 87 T HA 0.441 4.791 4.350 -0.000 0.000 0.277 87 T C 1.659 176.283 174.700 -0.127 0.000 0.976 87 T CA -0.520 61.540 62.100 -0.067 0.000 0.956 87 T CB 1.042 69.892 68.868 -0.030 0.000 1.113 87 T HN 0.209 nan 8.240 nan 0.000 0.554 88 V N 1.360 121.211 119.914 -0.106 0.000 2.332 88 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 88 V C 2.517 178.541 176.094 -0.115 0.000 1.055 88 V CA 2.501 64.726 62.300 -0.124 0.000 1.038 88 V CB -1.152 30.630 31.823 -0.067 0.000 0.651 88 V HN 0.969 nan 8.190 nan 0.000 0.450 89 E N 0.092 120.248 120.200 -0.074 0.000 2.515 89 E HA -0.045 4.305 4.350 -0.000 0.000 0.201 89 E C 1.928 178.488 176.600 -0.067 0.000 1.071 89 E CA 1.089 57.455 56.400 -0.055 0.000 0.880 89 E CB -0.516 29.164 29.700 -0.032 0.000 0.828 89 E HN 0.661 nan 8.360 nan 0.000 0.540 90 G N 2.126 110.864 108.800 -0.104 0.000 2.683 90 G HA2 0.024 3.984 3.960 -0.000 0.000 0.213 90 G HA3 0.024 3.984 3.960 -0.000 0.000 0.213 90 G C 1.614 176.423 174.900 -0.150 0.000 1.142 90 G CA 0.303 45.340 45.100 -0.105 0.000 0.793 90 G HN 0.421 nan 8.290 nan 0.000 0.534 91 I N -2.889 117.536 120.570 -0.241 0.000 3.956 91 I HA 0.587 4.757 4.170 -0.000 0.000 0.333 91 I C 0.692 176.768 176.117 -0.067 0.000 1.302 91 I CA 0.159 61.285 61.300 -0.290 0.000 1.122 91 I CB 0.446 37.990 38.000 -0.759 0.000 1.013 91 I HN 0.108 nan 8.210 nan 0.000 0.405 92 G N 0.796 109.576 108.800 -0.034 0.000 2.352 92 G HA2 0.389 4.349 3.960 -0.000 0.000 0.302 92 G HA3 0.389 4.349 3.960 -0.000 0.000 0.302 92 G C -1.097 173.812 174.900 0.014 0.000 1.370 92 G CA -0.101 45.016 45.100 0.029 0.000 0.918 92 G HN 0.725 nan 8.290 nan 0.000 0.610 93 S N -2.518 113.197 115.700 0.025 0.000 2.645 93 S HA 0.653 5.123 4.470 -0.000 0.000 0.268 93 S C 1.086 175.698 174.600 0.021 0.000 1.110 93 S CA 1.005 59.215 58.200 0.018 0.000 0.823 93 S CB 0.880 64.083 63.200 0.005 0.000 1.091 93 S HN 2.371 nan 8.310 nan 0.000 0.466 94 T N -0.251 114.314 114.554 0.019 0.000 2.915 94 T HA -0.008 4.342 4.350 -0.000 0.000 0.269 94 T C 1.382 176.089 174.700 0.011 0.000 1.071 94 T CA 1.248 63.360 62.100 0.019 0.000 1.132 94 T CB -0.704 68.177 68.868 0.020 0.000 0.878 94 T HN 0.704 nan 8.240 nan 0.000 0.479 95 K N 1.179 121.583 120.400 0.006 0.000 2.211 95 K HA -0.059 4.261 4.320 -0.000 0.000 0.204 95 K C 2.285 178.888 176.600 0.003 0.000 1.047 95 K CA 1.739 58.026 56.287 0.000 0.000 0.935 95 K CB -0.214 32.283 32.500 -0.004 0.000 0.728 95 K HN 0.761 nan 8.250 nan 0.000 0.452 96 T N -1.887 112.672 114.554 0.009 0.000 3.364 96 T HA 0.115 4.465 4.350 -0.000 0.000 0.179 96 T C -0.108 174.604 174.700 0.019 0.000 0.939 96 T CA -0.771 61.337 62.100 0.013 0.000 1.094 96 T CB 0.122 68.998 68.868 0.014 0.000 1.532 96 T HN 0.174 nan 8.240 nan 0.000 0.346 97 R N 0.688 121.204 120.500 0.027 0.000 2.564 97 R HA 0.656 4.996 4.340 -0.000 0.000 0.284 97 R C -1.464 174.863 176.300 0.047 0.000 1.031 97 R CA -0.878 55.242 56.100 0.033 0.000 0.904 97 R CB 1.285 31.605 30.300 0.034 0.000 1.199 97 R HN 0.387 nan 8.270 nan 0.000 0.443 98 L N 3.180 124.431 121.223 0.047 0.000 2.397 98 L HA 0.256 4.596 4.340 -0.000 0.000 0.271 98 L C 0.783 177.708 176.870 0.092 0.000 1.148 98 L CA -0.622 54.258 54.840 0.066 0.000 0.825 98 L CB 0.706 42.795 42.059 0.050 0.000 1.117 98 L HN 0.577 nan 8.230 nan 0.000 0.456 99 H N 4.443 123.538 119.070 0.042 0.000 2.629 99 H HA 0.108 4.664 4.556 -0.000 0.000 0.357 99 H C -1.925 173.465 175.328 0.103 0.000 1.121 99 H CA -1.574 54.519 56.048 0.075 0.000 1.406 99 H CB 1.895 31.703 29.762 0.077 0.000 1.456 99 H HN 0.336 nan 8.280 nan 0.000 0.579 100 P HA -0.226 nan 4.420 nan 0.000 0.218 100 P C 1.624 179.108 177.300 0.306 0.000 1.152 100 P CA 1.194 64.291 63.100 -0.004 0.000 0.857 100 P CB 0.292 31.990 31.700 -0.004 0.000 0.787 101 V N -0.701 119.538 119.914 0.543 0.000 2.307 101 V HA -0.277 3.843 4.120 -0.000 0.000 0.245 101 V C 2.459 178.800 176.094 0.412 0.000 1.045 101 V CA 1.886 64.503 62.300 0.528 0.000 1.024 101 V CB -1.238 30.782 31.823 0.328 0.000 0.651 101 V HN 0.186 nan 8.190 nan 0.000 0.449 102 Q N -0.226 119.749 119.800 0.292 0.000 2.050 102 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 102 Q C 2.360 178.409 176.000 0.082 0.000 0.980 102 Q CA 1.880 57.783 55.803 0.167 0.000 0.840 102 Q CB -0.287 28.525 28.738 0.123 0.000 0.898 102 Q HN 0.727 nan 8.270 nan 0.000 0.424 103 E N 1.300 121.529 120.200 0.048 0.000 2.049 103 E HA -0.248 4.102 4.350 -0.000 0.000 0.198 103 E C 2.013 178.475 176.600 -0.230 0.000 1.007 103 E CA 1.196 57.556 56.400 -0.066 0.000 0.809 103 E CB 0.084 29.739 29.700 -0.076 0.000 0.749 103 E HN 0.266 nan 8.360 nan 0.000 0.450 104 R N 0.183 120.489 120.500 -0.324 0.000 2.090 104 R HA -0.015 4.325 4.340 -0.000 0.000 0.228 104 R C 2.635 178.688 176.300 -0.411 0.000 1.110 104 R CA 1.131 56.828 56.100 -0.672 0.000 0.973 104 R CB -0.378 29.490 30.300 -0.721 0.000 0.869 104 R HN 0.333 nan 8.270 nan 0.000 0.440 105 I N 0.688 121.158 120.570 -0.167 0.000 2.493 105 I HA -0.212 3.958 4.170 -0.000 0.000 0.254 105 I C 2.076 178.052 176.117 -0.235 0.000 1.160 105 I CA 1.001 62.133 61.300 -0.281 0.000 1.445 105 I CB -0.004 37.947 38.000 -0.082 0.000 1.086 105 I HN 0.154 nan 8.210 nan 0.000 0.433 106 A N 0.469 123.186 122.820 -0.171 0.000 1.874 106 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 106 A C 2.291 179.736 177.584 -0.231 0.000 1.189 106 A CA 1.125 53.076 52.037 -0.143 0.000 0.615 106 A CB -0.376 18.584 19.000 -0.066 0.000 0.830 106 A HN 0.314 nan 8.150 nan 0.000 0.443 107 K N 0.642 120.885 120.400 -0.261 0.000 2.211 107 K HA -0.074 4.246 4.320 -0.000 0.000 0.203 107 K C 1.805 178.068 176.600 -0.563 0.000 1.050 107 K CA 1.379 57.503 56.287 -0.271 0.000 0.945 107 K CB -0.105 32.384 32.500 -0.018 0.000 0.732 107 K HN 0.619 nan 8.250 nan 0.000 0.451 108 S N -0.105 115.183 115.700 -0.686 0.000 2.631 108 S HA -0.022 4.448 4.470 -0.000 0.000 0.217 108 S C -0.079 174.191 174.600 -0.549 0.000 0.958 108 S CA -0.188 57.353 58.200 -1.099 0.000 0.920 108 S CB -0.360 62.103 63.200 -1.227 0.000 0.776 108 S HN 0.289 nan 8.310 nan 0.000 0.517 109 H N -0.735 118.211 119.070 -0.206 0.000 2.903 109 H HA -0.136 4.420 4.556 -0.000 0.000 0.285 109 H C 0.963 176.217 175.328 -0.123 0.000 1.231 109 H CA 0.620 56.605 56.048 -0.104 0.000 1.135 109 H CB -1.857 27.875 29.762 -0.050 0.000 1.328 109 H HN 0.625 nan 8.280 nan 0.000 0.388 110 G N -0.138 108.580 108.800 -0.136 0.000 3.141 110 G HA2 0.202 4.162 3.960 -0.000 0.000 0.218 110 G HA3 0.202 4.162 3.960 -0.000 0.000 0.218 110 G C 0.409 175.247 174.900 -0.103 0.000 1.170 110 G CA 0.730 45.746 45.100 -0.141 0.000 0.769 110 G HN 0.354 nan 8.290 nan 0.000 0.546 111 S N -0.818 114.836 115.700 -0.077 0.000 2.707 111 S HA 0.497 4.967 4.470 -0.000 0.000 0.303 111 S C 0.254 174.789 174.600 -0.108 0.000 1.132 111 S CA -0.639 57.518 58.200 -0.072 0.000 1.046 111 S CB 1.714 64.876 63.200 -0.063 0.000 1.004 111 S HN 0.324 nan 8.310 nan 0.000 0.483 112 Q N 1.746 121.488 119.800 -0.097 0.000 2.429 112 Q HA 0.107 4.447 4.340 -0.000 0.000 0.230 112 Q C 2.322 178.210 176.000 -0.187 0.000 0.970 112 Q CA 0.806 56.529 55.803 -0.133 0.000 0.778 112 Q CB -0.557 28.172 28.738 -0.015 0.000 2.016 112 Q HN 0.972 nan 8.270 nan 0.000 0.543 113 C N -0.099 119.185 119.300 -0.028 0.000 2.419 113 C HA 0.178 4.638 4.460 -0.000 0.000 0.281 113 C C 1.777 176.856 174.990 0.148 0.000 1.336 113 C CA 0.589 59.637 59.018 0.049 0.000 1.770 113 C CB -1.367 26.420 27.740 0.079 0.000 1.929 113 C HN 0.932 nan 8.230 nan 0.000 0.509 114 G N -0.823 108.040 108.800 0.104 0.000 2.179 114 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.260 114 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.260 114 G C 0.460 175.470 174.900 0.184 0.000 0.977 114 G CA 0.491 45.681 45.100 0.150 0.000 0.641 114 G HN 0.587 nan 8.290 nan 0.000 0.533 115 F N 1.407 121.317 119.950 -0.067 0.000 2.269 115 F HA -0.024 4.503 4.527 -0.000 0.000 0.301 115 F C 2.779 178.522 175.800 -0.094 0.000 1.082 115 F CA 2.262 60.093 58.000 -0.281 0.000 1.360 115 F CB -0.186 38.593 39.000 -0.368 0.000 1.041 115 F HN 0.616 nan 8.300 nan 0.000 0.512 116 C N -2.159 117.190 119.300 0.081 0.000 2.673 116 C HA 0.131 4.591 4.460 -0.000 0.000 0.264 116 C C 2.434 177.454 174.990 0.050 0.000 1.304 116 C CA 0.577 59.639 59.018 0.074 0.000 1.727 116 C CB -1.438 26.389 27.740 0.146 0.000 1.932 116 C HN 0.343 nan 8.230 nan 0.000 0.563 117 T N 3.045 117.619 114.554 0.035 0.000 2.684 117 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 117 T C -0.334 174.396 174.700 0.050 0.000 1.036 117 T CA 2.476 64.606 62.100 0.050 0.000 1.148 117 T CB -1.434 67.460 68.868 0.045 0.000 0.863 117 T HN 0.425 nan 8.240 nan 0.000 0.436 118 P HA -0.074 nan 4.420 nan 0.000 0.215 118 P C 1.800 179.113 177.300 0.022 0.000 1.157 118 P CA 1.348 64.445 63.100 -0.006 0.000 0.874 118 P CB -0.523 31.139 31.700 -0.063 0.000 0.790 119 G N -0.575 108.238 108.800 0.022 0.000 2.418 119 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 119 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 119 G C 1.555 176.544 174.900 0.148 0.000 1.158 119 G CA 0.541 45.685 45.100 0.074 0.000 0.771 119 G HN 0.233 nan 8.290 nan 0.000 0.545 120 I N 0.122 120.793 120.570 0.168 0.000 2.315 120 I HA -0.117 4.053 4.170 -0.000 0.000 0.248 120 I C 2.746 179.035 176.117 0.287 0.000 1.117 120 I CA 0.303 61.736 61.300 0.221 0.000 1.404 120 I CB -0.074 38.005 38.000 0.133 0.000 1.071 120 I HN 0.026 nan 8.210 nan 0.000 0.419 121 V N 0.462 120.508 119.914 0.219 0.000 2.343 121 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 121 V C 2.474 178.653 176.094 0.141 0.000 1.051 121 V CA 1.528 63.954 62.300 0.210 0.000 1.036 121 V CB -0.379 31.528 31.823 0.140 0.000 0.654 121 V HN 0.366 nan 8.190 nan 0.000 0.451 122 M N -0.763 118.897 119.600 0.100 0.000 2.296 122 M HA -0.075 4.405 4.480 -0.000 0.000 0.265 122 M C 2.343 178.716 176.300 0.121 0.000 1.064 122 M CA 1.372 56.714 55.300 0.070 0.000 1.109 122 M CB -1.364 31.252 32.600 0.025 0.000 1.396 122 M HN 0.310 nan 8.290 nan 0.000 0.430 123 S N 0.301 116.105 115.700 0.173 0.000 2.371 123 S HA -0.094 4.376 4.470 -0.000 0.000 0.224 123 S C 1.811 176.436 174.600 0.042 0.000 1.029 123 S CA 1.102 59.390 58.200 0.147 0.000 0.978 123 S CB -0.172 63.206 63.200 0.297 0.000 0.833 123 S HN 0.399 nan 8.310 nan 0.000 0.466 124 M N 0.436 120.121 119.600 0.142 0.000 2.175 124 M HA -0.002 4.477 4.480 -0.000 0.000 0.264 124 M C 1.682 177.839 176.300 -0.237 0.000 1.063 124 M CA 1.355 56.575 55.300 -0.134 0.000 1.119 124 M CB -0.672 31.729 32.600 -0.331 0.000 1.377 124 M HN 0.392 nan 8.290 nan 0.000 0.415 125 Y N 0.078 120.236 120.300 -0.236 0.000 2.200 125 Y HA -0.182 4.368 4.550 -0.000 0.000 0.290 125 Y C 1.975 177.730 175.900 -0.242 0.000 1.137 125 Y CA 2.395 60.326 58.100 -0.282 0.000 1.163 125 Y CB -0.627 37.665 38.460 -0.280 0.000 0.988 125 Y HN 0.267 nan 8.280 nan 0.000 0.518 126 T N 1.121 115.629 114.554 -0.076 0.000 2.867 126 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 126 T C 1.763 176.344 174.700 -0.198 0.000 1.057 126 T CA 1.298 63.328 62.100 -0.118 0.000 1.136 126 T CB -0.534 68.333 68.868 -0.002 0.000 0.874 126 T HN 0.306 nan 8.240 nan 0.000 0.466 127 L N 1.108 122.198 121.223 -0.222 0.000 2.017 127 L HA 0.081 4.420 4.340 -0.000 0.000 0.208 127 L C 2.083 178.789 176.870 -0.274 0.000 1.073 127 L CA 1.616 56.312 54.840 -0.239 0.000 0.745 127 L CB -0.717 41.167 42.059 -0.292 0.000 0.894 127 L HN 0.223 nan 8.230 nan 0.000 0.432 128 L N -0.791 120.206 121.223 -0.377 0.000 2.191 128 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 128 L C 2.575 179.232 176.870 -0.354 0.000 1.103 128 L CA 0.884 55.489 54.840 -0.393 0.000 0.769 128 L CB -0.413 41.328 42.059 -0.531 0.000 0.908 128 L HN 0.255 nan 8.230 nan 0.000 0.438 129 R N -0.020 120.227 120.500 -0.422 0.000 2.236 129 R HA -0.027 4.313 4.340 -0.000 0.000 0.208 129 R C 1.709 177.896 176.300 -0.189 0.000 1.036 129 R CA 0.829 56.703 56.100 -0.376 0.000 1.001 129 R CB -0.047 29.933 30.300 -0.533 0.000 0.896 129 R HN 0.352 nan 8.270 nan 0.000 0.464 130 N N -1.140 117.474 118.700 -0.142 0.000 2.460 130 N HA -0.016 4.724 4.740 -0.000 0.000 0.193 130 N C -0.417 175.047 175.510 -0.077 0.000 1.080 130 N CA 0.246 53.255 53.050 -0.067 0.000 0.869 130 N CB 0.595 39.058 38.487 -0.041 0.000 1.201 130 N HN 0.032 nan 8.380 nan 0.000 0.457 131 Q N 1.814 121.549 119.800 -0.107 0.000 2.771 131 Q HA 0.297 4.637 4.340 -0.000 0.000 0.247 131 Q C -2.228 173.709 176.000 -0.106 0.000 0.986 131 Q CA -1.799 53.950 55.803 -0.091 0.000 0.713 131 Q CB 1.585 30.270 28.738 -0.088 0.000 1.241 131 Q HN -0.053 nan 8.270 nan 0.000 0.488 132 P HA -0.187 nan 4.420 nan 0.000 0.220 132 P C -0.411 176.861 177.300 -0.047 0.000 1.144 132 P CA 1.162 64.211 63.100 -0.085 0.000 0.800 132 P CB 0.488 32.155 31.700 -0.056 0.000 0.772 133 E N -0.192 119.992 120.200 -0.026 0.000 3.284 133 E HA 0.223 4.573 4.350 -0.000 0.000 0.277 133 E C -2.568 174.040 176.600 0.012 0.000 1.218 133 E CA -2.079 54.332 56.400 0.018 0.000 0.925 133 E CB 1.510 31.229 29.700 0.032 0.000 1.409 133 E HN 0.138 nan 8.360 nan 0.000 0.388 134 P HA 0.021 nan 4.420 nan 0.000 0.273 134 P C 0.041 177.357 177.300 0.027 0.000 1.250 134 P CA -0.080 63.014 63.100 -0.009 0.000 0.793 134 P CB 0.894 32.565 31.700 -0.047 0.000 1.011 135 T N -2.492 112.071 114.554 0.014 0.000 2.918 135 T HA 0.319 4.669 4.350 -0.000 0.000 0.283 135 T C 1.722 176.451 174.700 0.048 0.000 1.001 135 T CA -0.793 61.328 62.100 0.034 0.000 1.041 135 T CB 0.419 69.298 68.868 0.019 0.000 1.028 135 T HN 0.264 nan 8.240 nan 0.000 0.511 136 M N 0.297 119.942 119.600 0.075 0.000 2.082 136 M HA -0.147 4.333 4.480 -0.000 0.000 0.258 136 M C 2.491 178.837 176.300 0.076 0.000 1.069 136 M CA 2.054 57.416 55.300 0.103 0.000 1.102 136 M CB -0.599 32.072 32.600 0.119 0.000 1.336 136 M HN 0.913 nan 8.290 nan 0.000 0.404 137 E N 0.625 120.856 120.200 0.051 0.000 2.085 137 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 137 E C 1.718 178.306 176.600 -0.020 0.000 0.994 137 E CA 1.567 57.985 56.400 0.030 0.000 0.801 137 E CB 0.030 29.741 29.700 0.020 0.000 0.743 137 E HN 0.555 nan 8.360 nan 0.000 0.453 138 E N 0.116 120.292 120.200 -0.040 0.000 2.110 138 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 138 E C 2.187 178.689 176.600 -0.162 0.000 0.988 138 E CA 0.981 57.325 56.400 -0.095 0.000 0.804 138 E CB -0.063 29.588 29.700 -0.082 0.000 0.745 138 E HN 0.398 nan 8.360 nan 0.000 0.458 139 I N 0.986 121.487 120.570 -0.115 0.000 2.315 139 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 139 I C 2.622 178.554 176.117 -0.308 0.000 1.117 139 I CA 1.052 62.239 61.300 -0.187 0.000 1.404 139 I CB -0.106 37.935 38.000 0.068 0.000 1.071 139 I HN 0.126 nan 8.210 nan 0.000 0.419 140 E N 1.098 121.249 120.200 -0.083 0.000 2.106 140 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 140 E C 1.857 178.361 176.600 -0.160 0.000 0.984 140 E CA 1.060 57.446 56.400 -0.023 0.000 0.806 140 E CB 0.113 29.879 29.700 0.110 0.000 0.750 140 E HN 0.399 nan 8.360 nan 0.000 0.458 141 N N 0.511 119.109 118.700 -0.170 0.000 2.309 141 N HA -0.117 4.623 4.740 -0.000 0.000 0.182 141 N C 1.547 176.900 175.510 -0.261 0.000 1.018 141 N CA 1.062 54.010 53.050 -0.169 0.000 0.876 141 N CB -0.225 38.171 38.487 -0.152 0.000 0.972 141 N HN 0.229 nan 8.380 nan 0.000 0.434 142 A N -0.093 122.442 122.820 -0.475 0.000 2.070 142 A HA -0.056 4.264 4.320 -0.000 0.000 0.220 142 A C 1.018 178.260 177.584 -0.571 0.000 1.159 142 A CA 0.878 52.563 52.037 -0.587 0.000 0.656 142 A CB -0.468 18.024 19.000 -0.846 0.000 0.800 142 A HN 0.175 nan 8.150 nan 0.000 0.453 143 F N -1.018 118.804 119.950 -0.214 0.000 2.653 143 F HA 0.230 4.757 4.527 -0.000 0.000 0.304 143 F C 1.848 177.594 175.800 -0.090 0.000 1.092 143 F CA -0.319 57.515 58.000 -0.276 0.000 1.279 143 F CB -0.573 37.840 39.000 -0.978 0.000 1.044 143 F HN 0.225 nan 8.300 nan 0.000 0.564 144 Q N 0.673 120.510 119.800 0.062 0.000 2.217 144 Q HA -0.145 4.195 4.340 -0.000 0.000 0.209 144 Q C 2.079 178.176 176.000 0.161 0.000 0.988 144 Q CA 1.685 57.555 55.803 0.113 0.000 0.878 144 Q CB -0.330 28.447 28.738 0.065 0.000 0.909 144 Q HN 0.475 nan 8.270 nan 0.000 0.424 145 G N -0.767 108.132 108.800 0.165 0.000 3.523 145 G HA2 0.137 4.097 3.960 -0.000 0.000 0.270 145 G HA3 0.137 4.097 3.960 -0.000 0.000 0.270 145 G C -0.765 174.277 174.900 0.237 0.000 1.134 145 G CA -0.388 44.822 45.100 0.183 0.000 0.825 145 G HN 0.154 nan 8.290 nan 0.000 0.534 146 N N -0.185 118.705 118.700 0.317 0.000 2.284 146 N HA 0.660 5.400 4.740 -0.000 0.000 0.300 146 N C -0.961 174.832 175.510 0.473 0.000 1.047 146 N CA -0.462 52.819 53.050 0.385 0.000 0.821 146 N CB 2.568 41.321 38.487 0.444 0.000 1.337 146 N HN -0.055 nan 8.380 nan 0.000 0.482 147 L N 0.673 122.133 121.223 0.395 0.000 2.342 147 L HA 0.728 5.068 4.340 -0.000 0.000 0.271 147 L C -0.830 176.227 176.870 0.311 0.000 1.008 147 L CA -0.984 54.092 54.840 0.392 0.000 0.818 147 L CB 1.898 44.117 42.059 0.267 0.000 1.296 147 L HN 0.536 nan 8.230 nan 0.000 0.427 148 C N 1.938 121.328 119.300 0.150 0.000 2.551 148 C HA 0.484 4.944 4.460 -0.000 0.000 0.332 148 C C 0.749 175.579 174.990 -0.267 0.000 1.139 148 C CA -0.570 58.365 59.018 -0.137 0.000 1.328 148 C CB 1.594 29.084 27.740 -0.416 0.000 1.903 148 C HN 0.971 nan 8.230 nan 0.000 0.459 149 R N 2.608 123.079 120.500 -0.049 0.000 2.312 149 R HA 0.293 4.633 4.340 -0.000 0.000 0.205 149 R C 1.184 177.460 176.300 -0.039 0.000 0.904 149 R CA 1.355 57.416 56.100 -0.065 0.000 1.052 149 R CB -0.561 29.762 30.300 0.038 0.000 1.014 149 R HN 0.866 nan 8.270 nan 0.000 0.503 150 C N -1.818 117.496 119.300 0.023 0.000 2.480 150 C HA 0.145 4.605 4.460 -0.000 0.000 0.304 150 C C 2.415 177.397 174.990 -0.013 0.000 1.399 150 C CA 0.721 59.802 59.018 0.105 0.000 1.900 150 C CB -0.138 27.686 27.740 0.138 0.000 2.194 150 C HN 0.628 nan 8.230 nan 0.000 0.550 151 T N -1.483 112.995 114.554 -0.127 0.000 2.951 151 T HA 0.243 4.593 4.350 -0.000 0.000 0.268 151 T C 1.639 176.271 174.700 -0.113 0.000 1.073 151 T CA 1.831 63.856 62.100 -0.124 0.000 1.134 151 T CB -0.440 68.337 68.868 -0.152 0.000 0.884 151 T HN 1.137 nan 8.240 nan 0.000 0.479 152 G N 0.212 108.876 108.800 -0.226 0.000 2.157 152 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.248 152 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.248 152 G C 0.594 175.535 174.900 0.069 0.000 0.979 152 G CA 0.308 45.400 45.100 -0.013 0.000 0.650 152 G HN 0.594 nan 8.290 nan 0.000 0.529 153 Y N -2.081 118.136 120.300 -0.139 0.000 3.681 153 Y HA -0.364 4.186 4.550 -0.000 0.000 0.406 153 Y C 2.210 178.085 175.900 -0.041 0.000 1.163 153 Y CA 2.579 60.492 58.100 -0.312 0.000 2.338 153 Y CB -1.479 36.652 38.460 -0.547 0.000 0.885 153 Y HN 0.535 nan 8.280 nan 0.000 0.491 154 R N 1.284 121.926 120.500 0.236 0.000 2.083 154 R HA -0.138 4.201 4.340 -0.000 0.000 0.237 154 R C -0.971 175.430 176.300 0.169 0.000 1.137 154 R CA 2.250 58.500 56.100 0.249 0.000 0.951 154 R CB -1.284 29.180 30.300 0.274 0.000 0.851 154 R HN 0.367 nan 8.270 nan 0.000 0.434 155 P HA -0.114 nan 4.420 nan 0.000 0.220 155 P C 1.569 178.840 177.300 -0.048 0.000 1.148 155 P CA 1.210 64.339 63.100 0.047 0.000 0.803 155 P CB -0.142 31.570 31.700 0.019 0.000 0.782 156 I N -0.708 119.841 120.570 -0.036 0.000 2.233 156 I HA -0.167 4.003 4.170 -0.000 0.000 0.243 156 I C 2.623 178.698 176.117 -0.070 0.000 1.093 156 I CA 1.064 62.264 61.300 -0.168 0.000 1.380 156 I CB -0.574 37.430 38.000 0.006 0.000 1.067 156 I HN -0.154 nan 8.210 nan 0.000 0.413 157 L N 0.153 121.526 121.223 0.251 0.000 2.141 157 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 157 L C 2.634 179.678 176.870 0.291 0.000 1.094 157 L CA 1.230 56.294 54.840 0.372 0.000 0.763 157 L CB -0.486 41.835 42.059 0.436 0.000 0.908 157 L HN 0.334 nan 8.230 nan 0.000 0.437 158 Q N 0.197 120.135 119.800 0.229 0.000 2.046 158 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 158 Q C 2.165 178.344 176.000 0.298 0.000 0.975 158 Q CA 1.908 57.876 55.803 0.275 0.000 0.836 158 Q CB -0.265 28.662 28.738 0.315 0.000 0.896 158 Q HN 0.429 nan 8.270 nan 0.000 0.428 159 G N -0.646 108.219 108.800 0.108 0.000 2.432 159 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.219 159 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.219 159 G C 0.809 175.821 174.900 0.188 0.000 1.135 159 G CA 0.483 45.603 45.100 0.034 0.000 0.767 159 G HN 0.348 nan 8.290 nan 0.000 0.550 160 F N 0.362 120.432 119.950 0.200 0.000 2.780 160 F HA 0.297 4.824 4.527 -0.000 0.000 0.299 160 F C 2.356 178.306 175.800 0.250 0.000 1.146 160 F CA -0.525 57.641 58.000 0.277 0.000 1.428 160 F CB -0.288 38.986 39.000 0.457 0.000 1.115 160 F HN 0.085 nan 8.300 nan 0.000 0.583 161 R N 0.593 121.326 120.500 0.387 0.000 2.159 161 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 161 R C 2.255 178.689 176.300 0.223 0.000 1.131 161 R CA 1.919 58.192 56.100 0.289 0.000 0.982 161 R CB -0.358 30.089 30.300 0.246 0.000 0.868 161 R HN 0.378 nan 8.270 nan 0.000 0.453 162 T N -1.989 112.674 114.554 0.180 0.000 2.849 162 T HA -0.134 4.216 4.350 -0.000 0.000 0.270 162 T C 1.467 176.190 174.700 0.038 0.000 1.066 162 T CA 1.079 63.226 62.100 0.079 0.000 1.130 162 T CB -0.325 68.590 68.868 0.077 0.000 0.864 162 T HN 0.165 nan 8.240 nan 0.000 0.481 163 F N 2.401 122.481 119.950 0.217 0.000 2.512 163 F HA 0.534 5.061 4.527 -0.000 0.000 0.296 163 F C 1.854 177.708 175.800 0.091 0.000 1.110 163 F CA -0.812 57.264 58.000 0.128 0.000 1.446 163 F CB -0.884 38.161 39.000 0.076 0.000 1.092 163 F HN 0.262 nan 8.300 nan 0.000 0.554 164 A N 0.976 123.961 122.820 0.275 0.000 2.445 164 A HA 0.238 4.558 4.320 -0.000 0.000 0.242 164 A C 1.638 179.300 177.584 0.130 0.000 1.075 164 A CA -0.284 51.861 52.037 0.180 0.000 0.777 164 A CB 0.195 19.296 19.000 0.169 0.000 1.013 164 A HN 0.525 nan 8.150 nan 0.000 0.493 165 R N 0.581 121.138 120.500 0.094 0.000 2.200 165 R HA 0.024 4.364 4.340 -0.000 0.000 0.208 165 R C -0.258 176.080 176.300 0.062 0.000 1.033 165 R CA 1.060 57.203 56.100 0.071 0.000 1.000 165 R CB -0.193 30.137 30.300 0.050 0.000 0.906 165 R HN 0.749 nan 8.270 nan 0.000 0.462 166 D N -0.066 120.374 120.400 0.067 0.000 2.595 166 D HA 0.464 5.104 4.640 -0.000 0.000 0.268 166 D C 0.527 176.870 176.300 0.072 0.000 1.181 166 D CA -0.050 53.986 54.000 0.060 0.000 1.085 166 D CB -0.276 40.556 40.800 0.052 0.000 1.186 166 D HN 0.149 nan 8.370 nan 0.000 0.621 193 P HA 0.598 nan 4.420 nan 0.000 0.282 193 P C -0.808 176.276 177.300 -0.361 0.000 1.287 193 P CA -0.532 62.290 63.100 -0.463 0.000 0.792 193 P CB 0.702 32.157 31.700 -0.408 0.000 1.163 194 S N -0.494 115.208 115.700 0.003 0.000 2.549 194 S HA 0.306 4.776 4.470 -0.000 0.000 0.297 194 S C 1.364 176.192 174.600 0.380 0.000 1.115 194 S CA -0.719 57.563 58.200 0.137 0.000 1.059 194 S CB 1.150 64.317 63.200 -0.055 0.000 1.046 194 S HN 0.341 nan 8.310 nan 0.000 0.506 195 L N 0.982 122.380 121.223 0.292 0.000 2.291 195 L HA 0.154 4.494 4.340 -0.000 0.000 0.214 195 L C -0.050 177.107 176.870 0.477 0.000 1.120 195 L CA 0.985 55.979 54.840 0.258 0.000 0.799 195 L CB -0.162 42.030 42.059 0.221 0.000 0.925 195 L HN 0.717 nan 8.230 nan 0.000 0.446 196 F N -3.009 117.052 119.950 0.185 0.000 2.741 196 F HA 0.455 4.982 4.527 -0.000 0.000 0.311 196 F C -1.117 174.687 175.800 0.006 0.000 1.149 196 F CA -1.653 56.422 58.000 0.124 0.000 0.930 196 F CB 0.990 40.061 39.000 0.119 0.000 1.312 196 F HN -0.370 nan 8.300 nan 0.000 0.450 197 K N 2.378 122.834 120.400 0.094 0.000 2.419 197 K HA 0.329 4.649 4.320 -0.000 0.000 0.244 197 K C -2.472 173.916 176.600 -0.353 0.000 1.045 197 K CA -1.565 54.644 56.287 -0.129 0.000 1.004 197 K CB 1.505 33.974 32.500 -0.052 0.000 1.376 197 K HN 0.309 nan 8.250 nan 0.000 0.460 198 P HA -0.245 nan 4.420 nan 0.000 0.220 198 P C 1.098 177.967 177.300 -0.717 0.000 1.148 198 P CA 1.005 63.439 63.100 -1.110 0.000 0.803 198 P CB 0.253 31.663 31.700 -0.482 0.000 0.782 199 E N 1.487 121.477 120.200 -0.350 0.000 2.204 199 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 199 E C 1.113 177.649 176.600 -0.106 0.000 0.990 199 E CA 1.288 57.584 56.400 -0.172 0.000 0.821 199 E CB -0.869 28.765 29.700 -0.111 0.000 0.750 199 E HN 0.501 nan 8.360 nan 0.000 0.477 200 E N 0.073 120.203 120.200 -0.118 0.000 2.403 200 E HA 0.102 4.452 4.350 -0.000 0.000 0.188 200 E C -0.364 176.337 176.600 0.169 0.000 1.056 200 E CA -0.546 55.865 56.400 0.019 0.000 0.892 200 E CB -0.216 29.506 29.700 0.036 0.000 1.049 200 E HN -0.029 nan 8.360 nan 0.000 0.465 201 F N 3.207 123.180 119.950 0.037 0.000 2.471 201 F HA 0.098 4.625 4.527 -0.000 0.000 0.353 201 F C 1.324 177.136 175.800 0.021 0.000 1.113 201 F CA -1.413 56.602 58.000 0.026 0.000 1.262 201 F CB 0.878 39.879 39.000 0.002 0.000 1.146 201 F HN -0.125 nan 8.300 nan 0.000 0.578 202 T N 1.991 116.669 114.554 0.206 0.000 2.870 202 T HA 0.353 4.703 4.350 -0.000 0.000 0.300 202 T C -2.381 172.383 174.700 0.107 0.000 0.989 202 T CA -1.543 60.627 62.100 0.116 0.000 1.139 202 T CB 0.554 69.462 68.868 0.066 0.000 0.920 202 T HN 0.186 nan 8.240 nan 0.000 0.537 203 P HA 0.201 nan 4.420 nan 0.000 0.269 203 P C -0.693 176.650 177.300 0.072 0.000 1.217 203 P CA -0.659 62.493 63.100 0.088 0.000 0.783 203 P CB 0.296 32.036 31.700 0.067 0.000 0.898 204 L N 2.290 123.571 121.223 0.096 0.000 2.265 204 L HA 0.413 4.753 4.340 -0.000 0.000 0.289 204 L C -0.548 176.346 176.870 0.040 0.000 1.033 204 L CA -0.102 54.775 54.840 0.061 0.000 0.814 204 L CB 0.621 42.766 42.059 0.143 0.000 1.203 204 L HN 0.120 nan 8.230 nan 0.000 0.423 205 D N 7.189 127.599 120.400 0.017 0.000 2.479 205 D HA 0.352 4.992 4.640 -0.000 0.000 0.247 205 D C -1.669 174.645 176.300 0.024 0.000 1.119 205 D CA -2.156 51.858 54.000 0.023 0.000 0.922 205 D CB 1.368 42.182 40.800 0.023 0.000 1.014 205 D HN 0.403 nan 8.370 nan 0.000 0.510 206 P HA -0.211 nan 4.420 nan 0.000 0.219 206 P C 1.143 178.452 177.300 0.014 0.000 1.144 206 P CA 1.171 64.273 63.100 0.004 0.000 0.806 206 P CB -0.140 31.542 31.700 -0.030 0.000 0.771 207 T N -4.270 110.296 114.554 0.020 0.000 3.055 207 T HA -0.043 4.307 4.350 -0.000 0.000 0.265 207 T C 1.524 176.247 174.700 0.037 0.000 1.111 207 T CA 0.625 62.740 62.100 0.024 0.000 1.118 207 T CB -0.539 68.342 68.868 0.021 0.000 0.909 207 T HN 0.007 nan 8.240 nan 0.000 0.501 208 Q N 0.808 120.636 119.800 0.048 0.000 2.247 208 Q HA 0.357 4.697 4.340 -0.000 0.000 0.205 208 Q C -0.034 176.020 176.000 0.090 0.000 0.896 208 Q CA 0.152 55.990 55.803 0.060 0.000 0.950 208 Q CB 0.135 28.906 28.738 0.055 0.000 1.054 208 Q HN 0.577 nan 8.270 nan 0.000 0.482 209 E N 1.325 121.581 120.200 0.093 0.000 2.349 209 E HA 0.253 4.603 4.350 -0.000 0.000 0.265 209 E C -2.264 174.391 176.600 0.092 0.000 1.064 209 E CA -2.097 54.377 56.400 0.123 0.000 0.886 209 E CB 0.487 30.239 29.700 0.087 0.000 1.036 209 E HN -0.060 nan 8.360 nan 0.000 0.413 210 P HA -0.015 nan 4.420 nan 0.000 0.262 210 P C -0.285 177.063 177.300 0.080 0.000 1.182 210 P CA 0.238 63.379 63.100 0.069 0.000 0.761 210 P CB 0.286 32.018 31.700 0.053 0.000 0.795 211 I N 3.792 124.398 120.570 0.060 0.000 2.648 211 I HA 0.049 4.219 4.170 -0.000 0.000 0.284 211 I C 0.179 176.349 176.117 0.089 0.000 1.153 211 I CA -0.437 60.907 61.300 0.073 0.000 1.426 211 I CB 0.153 38.170 38.000 0.028 0.000 1.381 211 I HN 0.168 nan 8.210 nan 0.000 0.571 212 F N 9.934 129.888 119.950 0.007 0.000 2.538 212 F HA 0.320 4.847 4.527 -0.000 0.000 0.371 212 F C -1.946 173.789 175.800 -0.108 0.000 1.087 212 F CA -2.377 55.615 58.000 -0.014 0.000 1.250 212 F CB -0.121 38.888 39.000 0.015 0.000 1.110 212 F HN 0.354 nan 8.300 nan 0.000 0.570 213 P HA -0.058 nan 4.420 nan 0.000 0.247 213 P C -2.159 174.685 177.300 -0.760 0.000 1.141 213 P CA -0.332 62.223 63.100 -0.908 0.000 0.858 213 P CB 0.128 30.957 31.700 -1.451 0.000 0.804 214 P HA -0.213 nan 4.420 nan 0.000 0.216 214 P C 1.413 178.558 177.300 -0.259 0.000 1.150 214 P CA 1.257 64.220 63.100 -0.229 0.000 0.843 214 P CB 0.044 31.666 31.700 -0.130 0.000 0.787 215 E N -0.539 119.480 120.200 -0.301 0.000 2.153 215 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 215 E C 1.863 178.280 176.600 -0.306 0.000 0.988 215 E CA 0.721 56.994 56.400 -0.213 0.000 0.811 215 E CB -0.464 29.220 29.700 -0.026 0.000 0.746 215 E HN 0.189 nan 8.360 nan 0.000 0.466 216 L N 0.277 121.150 121.223 -0.583 0.000 2.156 216 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 216 L C 2.352 179.049 176.870 -0.288 0.000 1.095 216 L CA 0.219 54.750 54.840 -0.515 0.000 0.770 216 L CB -0.108 41.520 42.059 -0.719 0.000 0.914 216 L HN 0.250 nan 8.230 nan 0.000 0.439 217 L N -0.053 121.033 121.223 -0.229 0.000 2.201 217 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 217 L C 2.646 179.391 176.870 -0.208 0.000 1.105 217 L CA 1.492 56.241 54.840 -0.152 0.000 0.775 217 L CB -0.705 41.320 42.059 -0.056 0.000 0.913 217 L HN 0.175 nan 8.230 nan 0.000 0.440 218 R N -0.502 119.891 120.500 -0.177 0.000 2.062 218 R HA -0.095 4.245 4.340 -0.000 0.000 0.229 218 R C 1.938 178.163 176.300 -0.126 0.000 1.128 218 R CA 1.267 57.288 56.100 -0.132 0.000 0.960 218 R CB -0.355 29.885 30.300 -0.100 0.000 0.855 218 R HN 0.354 nan 8.270 nan 0.000 0.432 219 L N 2.063 123.192 121.223 -0.156 0.000 2.633 219 L HA -0.063 4.277 4.340 -0.000 0.000 0.235 219 L C 2.160 178.972 176.870 -0.096 0.000 1.163 219 L CA 0.882 55.642 54.840 -0.133 0.000 0.859 219 L CB -0.324 41.556 42.059 -0.298 0.000 0.973 219 L HN 0.327 nan 8.230 nan 0.000 0.451 220 K N -1.001 119.310 120.400 -0.149 0.000 2.432 220 K HA -0.082 4.238 4.320 -0.000 0.000 0.196 220 K C 0.796 177.348 176.600 -0.080 0.000 1.038 220 K CA 0.912 57.114 56.287 -0.143 0.000 0.986 220 K CB 0.126 32.332 32.500 -0.489 0.000 0.782 220 K HN 0.201 nan 8.250 nan 0.000 0.485 221 D N 1.636 121.993 120.400 -0.071 0.000 2.367 221 D HA -0.034 4.606 4.640 -0.000 0.000 0.207 221 D C 0.021 176.322 176.300 0.001 0.000 1.034 221 D CA 0.611 54.590 54.000 -0.035 0.000 0.861 221 D CB 0.617 41.389 40.800 -0.046 0.000 0.943 221 D HN 0.377 nan 8.370 nan 0.000 0.515 222 T N 0.407 114.973 114.554 0.020 0.000 2.749 222 T HA 0.457 4.807 4.350 -0.000 0.000 0.295 222 T C -2.530 172.205 174.700 0.059 0.000 0.936 222 T CA -1.796 60.333 62.100 0.049 0.000 1.060 222 T CB 1.481 70.397 68.868 0.081 0.000 0.904 222 T HN -0.276 nan 8.240 nan 0.000 0.500 223 P HA 0.127 nan 4.420 nan 0.000 0.266 223 P C 0.073 177.400 177.300 0.044 0.000 1.193 223 P CA -0.294 62.830 63.100 0.040 0.000 0.770 223 P CB 0.446 32.168 31.700 0.038 0.000 0.836 224 R N 2.799 123.308 120.500 0.014 0.000 2.298 224 R HA 0.225 4.565 4.340 -0.000 0.000 0.310 224 R C 0.599 176.953 176.300 0.091 0.000 1.068 224 R CA -0.197 55.899 56.100 -0.006 0.000 0.957 224 R CB 0.518 30.729 30.300 -0.148 0.000 1.003 224 R HN 0.529 nan 8.270 nan 0.000 0.454 225 K N 1.660 122.144 120.400 0.140 0.000 2.328 225 K HA 0.209 4.529 4.320 -0.000 0.000 0.246 225 K C -0.730 175.982 176.600 0.186 0.000 0.955 225 K CA -0.994 55.374 56.287 0.135 0.000 0.817 225 K CB 1.831 34.380 32.500 0.082 0.000 1.208 225 K HN 0.382 nan 8.250 nan 0.000 0.432 226 Q N 2.313 122.182 119.800 0.115 0.000 2.315 226 Q HA 0.081 4.421 4.340 -0.000 0.000 0.289 226 Q C -1.113 174.864 176.000 -0.039 0.000 1.044 226 Q CA 0.053 55.886 55.803 0.050 0.000 0.920 226 Q CB 0.468 29.209 28.738 0.005 0.000 1.214 226 Q HN 0.551 nan 8.270 nan 0.000 0.392 227 L N 3.553 124.683 121.223 -0.153 0.000 2.319 227 L HA 0.666 5.006 4.340 -0.000 0.000 0.267 227 L C -0.180 176.410 176.870 -0.467 0.000 1.011 227 L CA -0.958 53.665 54.840 -0.362 0.000 0.818 227 L CB 1.982 43.697 42.059 -0.572 0.000 1.316 227 L HN 0.646 nan 8.230 nan 0.000 0.432 228 R N 1.266 121.415 120.500 -0.585 0.000 2.532 228 R HA 0.585 4.925 4.340 -0.000 0.000 0.297 228 R C -2.015 173.972 176.300 -0.521 0.000 0.984 228 R CA -0.483 55.366 56.100 -0.418 0.000 0.884 228 R CB 1.487 31.679 30.300 -0.180 0.000 1.182 228 R HN 0.341 nan 8.270 nan 0.000 0.442 229 F N 1.723 121.717 119.950 0.074 0.000 2.520 229 F HA 0.432 4.959 4.527 -0.000 0.000 0.322 229 F C -0.176 175.663 175.800 0.066 0.000 1.103 229 F CA -0.811 57.210 58.000 0.034 0.000 0.926 229 F CB 2.254 41.226 39.000 -0.047 0.000 1.154 229 F HN 0.381 nan 8.300 nan 0.000 0.453 230 E N 0.970 121.310 120.200 0.233 0.000 2.218 230 E HA 0.575 4.925 4.350 -0.000 0.000 0.263 230 E C 0.016 176.695 176.600 0.131 0.000 0.879 230 E CA -0.587 55.906 56.400 0.154 0.000 0.762 230 E CB 2.100 31.862 29.700 0.103 0.000 1.166 230 E HN 0.806 nan 8.360 nan 0.000 0.415 231 G N 1.549 110.422 108.800 0.122 0.000 2.736 231 G HA2 0.086 4.046 3.960 -0.000 0.000 0.229 231 G HA3 0.086 4.046 3.960 -0.000 0.000 0.229 231 G C 0.443 175.398 174.900 0.091 0.000 1.380 231 G CA -0.309 44.851 45.100 0.100 0.000 1.040 231 G HN 0.507 nan 8.290 nan 0.000 0.568 232 E N -0.528 119.727 120.200 0.092 0.000 2.152 232 E HA -0.008 4.342 4.350 -0.000 0.000 0.192 232 E C 2.058 178.702 176.600 0.074 0.000 0.983 232 E CA 0.726 57.180 56.400 0.089 0.000 0.818 232 E CB 0.175 29.946 29.700 0.118 0.000 0.758 232 E HN 0.353 nan 8.360 nan 0.000 0.467 233 R N -0.639 119.907 120.500 0.077 0.000 2.612 233 R HA 0.205 4.545 4.340 -0.000 0.000 0.260 233 R C -0.252 176.091 176.300 0.073 0.000 0.943 233 R CA -0.028 56.110 56.100 0.064 0.000 1.036 233 R CB 1.505 31.837 30.300 0.053 0.000 1.520 233 R HN -0.141 nan 8.270 nan 0.000 0.563 234 V N 1.420 121.393 119.914 0.097 0.000 2.628 234 V HA 0.410 4.530 4.120 -0.000 0.000 0.306 234 V C -0.181 175.999 176.094 0.143 0.000 1.045 234 V CA -0.608 61.766 62.300 0.123 0.000 0.905 234 V CB 2.098 34.019 31.823 0.163 0.000 0.997 234 V HN 0.017 nan 8.190 nan 0.000 0.436 235 T N 4.309 118.940 114.554 0.128 0.000 2.797 235 T HA 0.380 4.730 4.350 -0.000 0.000 0.279 235 T C -1.073 173.741 174.700 0.189 0.000 0.991 235 T CA -0.240 61.940 62.100 0.133 0.000 0.979 235 T CB 1.012 69.905 68.868 0.042 0.000 0.943 235 T HN 0.695 nan 8.240 nan 0.000 0.444 236 W N 5.655 126.977 121.300 0.038 0.000 2.532 236 W HA 0.615 5.275 4.660 -0.000 0.000 0.321 236 W C -2.029 174.449 176.519 -0.068 0.000 1.037 236 W CA -1.560 55.803 57.345 0.029 0.000 1.220 236 W CB 0.510 30.055 29.460 0.143 0.000 1.361 236 W HN 0.518 nan 8.180 nan 0.000 0.468 237 I N 5.486 125.979 120.570 -0.129 0.000 2.382 237 I HA 0.045 4.215 4.170 -0.000 0.000 0.286 237 I C -0.093 175.876 176.117 -0.247 0.000 1.002 237 I CA -0.736 60.482 61.300 -0.137 0.000 1.135 237 I CB 1.925 39.827 38.000 -0.164 0.000 1.288 237 I HN 0.261 nan 8.210 nan 0.000 0.448 238 Q N 5.706 125.426 119.800 -0.133 0.000 2.406 238 Q HA 0.493 4.833 4.340 -0.000 0.000 0.242 238 Q C -0.335 175.492 176.000 -0.289 0.000 1.036 238 Q CA -0.297 55.338 55.803 -0.281 0.000 0.904 238 Q CB 1.115 29.581 28.738 -0.452 0.000 1.244 238 Q HN 0.725 nan 8.270 nan 0.000 0.478 239 A N 2.724 125.407 122.820 -0.228 0.000 2.425 239 A HA 0.363 4.682 4.320 -0.000 0.000 0.249 239 A C 0.859 178.469 177.584 0.044 0.000 1.084 239 A CA 0.311 52.295 52.037 -0.087 0.000 0.781 239 A CB 0.425 19.376 19.000 -0.081 0.000 1.019 239 A HN 0.947 nan 8.150 nan 0.000 0.490 240 S N 0.620 116.408 115.700 0.147 0.000 2.497 240 S HA 0.167 4.637 4.470 -0.000 0.000 0.221 240 S C 0.770 175.477 174.600 0.178 0.000 1.037 240 S CA 0.818 59.193 58.200 0.291 0.000 0.920 240 S CB -0.346 63.021 63.200 0.278 0.000 0.800 240 S HN 1.344 nan 8.310 nan 0.000 0.505 241 T N -0.877 113.737 114.554 0.099 0.000 2.916 241 T HA 0.641 4.990 4.350 -0.000 0.000 0.292 241 T C 0.601 175.323 174.700 0.036 0.000 1.064 241 T CA -0.624 61.514 62.100 0.064 0.000 1.011 241 T CB 1.410 70.306 68.868 0.046 0.000 1.152 241 T HN 0.042 nan 8.240 nan 0.000 0.510 242 L N 0.983 122.220 121.223 0.024 0.000 2.093 242 L HA 0.189 4.529 4.340 -0.000 0.000 0.208 242 L C 2.466 179.335 176.870 -0.001 0.000 1.085 242 L CA 1.861 56.704 54.840 0.006 0.000 0.755 242 L CB -0.961 41.098 42.059 0.000 0.000 0.904 242 L HN 0.899 nan 8.230 nan 0.000 0.435 243 K N -0.262 120.140 120.400 0.003 0.000 2.026 243 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 243 K C 1.918 178.517 176.600 -0.002 0.000 1.048 243 K CA 1.953 58.239 56.287 -0.001 0.000 0.929 243 K CB -0.169 32.333 32.500 0.003 0.000 0.713 243 K HN 0.532 nan 8.250 nan 0.000 0.439 244 E N 0.622 120.823 120.200 0.003 0.000 2.085 244 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 244 E C 2.036 178.627 176.600 -0.014 0.000 0.994 244 E CA 1.146 57.545 56.400 -0.002 0.000 0.801 244 E CB -0.166 29.536 29.700 0.003 0.000 0.743 244 E HN 0.215 nan 8.360 nan 0.000 0.453 245 L N 1.173 122.384 121.223 -0.020 0.000 1.976 245 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 245 L C 2.102 178.954 176.870 -0.030 0.000 1.071 245 L CA 1.666 56.484 54.840 -0.036 0.000 0.746 245 L CB -0.505 41.531 42.059 -0.039 0.000 0.890 245 L HN 0.107 nan 8.230 nan 0.000 0.432 246 L N -0.518 120.690 121.223 -0.024 0.000 2.127 246 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 246 L C 2.268 179.125 176.870 -0.021 0.000 1.089 246 L CA 1.221 56.047 54.840 -0.024 0.000 0.757 246 L CB -0.935 41.112 42.059 -0.021 0.000 0.899 246 L HN 0.351 nan 8.230 nan 0.000 0.434 247 D N 0.134 120.524 120.400 -0.016 0.000 2.097 247 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 247 D C 2.301 178.596 176.300 -0.007 0.000 0.984 247 D CA 1.125 55.117 54.000 -0.014 0.000 0.826 247 D CB -0.073 40.722 40.800 -0.008 0.000 0.973 247 D HN 0.148 nan 8.370 nan 0.000 0.460 248 L N 0.906 122.134 121.223 0.008 0.000 2.046 248 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 248 L C 2.274 179.174 176.870 0.051 0.000 1.077 248 L CA 1.277 56.150 54.840 0.056 0.000 0.747 248 L CB -0.272 41.805 42.059 0.029 0.000 0.896 248 L HN -0.140 nan 8.230 nan 0.000 0.432 249 K N -0.472 119.930 120.400 0.004 0.000 2.211 249 K HA -0.017 4.303 4.320 -0.000 0.000 0.203 249 K C 2.012 178.600 176.600 -0.019 0.000 1.050 249 K CA 1.187 57.471 56.287 -0.006 0.000 0.945 249 K CB -0.215 32.268 32.500 -0.028 0.000 0.732 249 K HN 0.342 nan 8.250 nan 0.000 0.451 250 A N 0.178 122.979 122.820 -0.032 0.000 1.930 250 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 250 A C 2.008 179.541 177.584 -0.085 0.000 1.176 250 A CA 1.010 53.017 52.037 -0.048 0.000 0.632 250 A CB -0.146 18.828 19.000 -0.043 0.000 0.819 250 A HN 0.190 nan 8.150 nan 0.000 0.445 251 Q N -0.661 119.064 119.800 -0.125 0.000 2.269 251 Q HA 0.052 4.392 4.340 -0.000 0.000 0.201 251 Q C -0.113 175.584 176.000 -0.504 0.000 0.946 251 Q CA 0.903 56.531 55.803 -0.292 0.000 0.877 251 Q CB 0.264 28.808 28.738 -0.324 0.000 0.963 251 Q HN 0.718 nan 8.270 nan 0.000 0.472 252 H N -1.369 117.684 119.070 -0.028 0.000 2.380 252 H HA 0.231 4.787 4.556 -0.000 0.000 0.231 252 H C -2.056 173.252 175.328 -0.034 0.000 1.415 252 H CA -1.832 54.200 56.048 -0.027 0.000 1.433 252 H CB 1.185 30.928 29.762 -0.032 0.000 1.544 252 H HN 0.069 nan 8.280 nan 0.000 0.503 253 P HA -0.164 nan 4.420 nan 0.000 0.220 253 P C 0.924 178.234 177.300 0.016 0.000 1.144 253 P CA 1.427 64.532 63.100 0.009 0.000 0.800 253 P CB 0.325 32.021 31.700 -0.006 0.000 0.772 254 D N -0.936 119.493 120.400 0.048 0.000 2.249 254 D HA 0.066 4.706 4.640 -0.000 0.000 0.205 254 D C 0.737 177.048 176.300 0.017 0.000 0.962 254 D CA -0.061 53.966 54.000 0.045 0.000 0.860 254 D CB -0.903 39.944 40.800 0.077 0.000 0.955 254 D HN 0.002 nan 8.370 nan 0.000 0.505 255 A N 0.859 123.688 122.820 0.016 0.000 2.580 255 A HA 0.039 4.359 4.320 -0.000 0.000 0.244 255 A C 0.427 177.936 177.584 -0.126 0.000 1.045 255 A CA 0.109 52.113 52.037 -0.055 0.000 0.761 255 A CB 0.190 19.152 19.000 -0.063 0.000 0.962 255 A HN -0.013 nan 8.150 nan 0.000 0.512 256 K N 2.732 123.014 120.400 -0.197 0.000 2.258 256 K HA 0.314 4.634 4.320 -0.000 0.000 0.284 256 K C -0.179 176.245 176.600 -0.294 0.000 1.051 256 K CA -0.010 56.085 56.287 -0.320 0.000 0.923 256 K CB 0.837 32.987 32.500 -0.582 0.000 1.046 256 K HN 0.648 nan 8.250 nan 0.000 0.474 257 L N 3.276 124.348 121.223 -0.251 0.000 2.349 257 L HA 0.328 4.668 4.340 -0.000 0.000 0.275 257 L C 0.090 176.811 176.870 -0.248 0.000 1.115 257 L CA -0.721 53.974 54.840 -0.241 0.000 0.820 257 L CB 0.837 42.795 42.059 -0.168 0.000 1.135 257 L HN 0.119 nan 8.230 nan 0.000 0.445 258 V N 4.162 123.900 119.914 -0.293 0.000 2.623 258 V HA 0.338 4.458 4.120 -0.000 0.000 0.304 258 V C 0.383 176.390 176.094 -0.145 0.000 1.054 258 V CA -0.372 61.799 62.300 -0.214 0.000 0.882 258 V CB 2.242 33.910 31.823 -0.258 0.000 1.002 258 V HN 0.643 nan 8.190 nan 0.000 0.424 259 V N 3.388 123.277 119.914 -0.042 0.000 3.949 259 V HA 0.289 4.409 4.120 -0.000 0.000 0.195 259 V C 2.095 178.233 176.094 0.074 0.000 1.114 259 V CA 1.190 63.494 62.300 0.008 0.000 1.384 259 V CB -0.318 31.501 31.823 -0.006 0.000 1.685 259 V HN 0.851 nan 8.190 nan 0.000 0.492 260 G N -0.341 108.499 108.800 0.067 0.000 2.511 260 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 260 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 260 G C 0.852 175.827 174.900 0.125 0.000 1.133 260 G CA 1.001 46.160 45.100 0.098 0.000 0.792 260 G HN 0.690 nan 8.290 nan 0.000 0.539 261 N N -0.621 118.148 118.700 0.116 0.000 2.815 261 N HA -0.238 4.502 4.740 -0.000 0.000 0.247 261 N C 1.407 177.005 175.510 0.146 0.000 1.030 261 N CA 1.984 55.118 53.050 0.139 0.000 0.881 261 N CB -1.756 36.842 38.487 0.186 0.000 1.134 261 N HN 0.418 nan 8.380 nan 0.000 0.582 262 T N -4.040 110.596 114.554 0.137 0.000 3.160 262 T HA 0.088 4.438 4.350 -0.000 0.000 0.257 262 T C 1.242 176.031 174.700 0.148 0.000 1.147 262 T CA 1.335 63.525 62.100 0.150 0.000 1.064 262 T CB 0.261 69.221 68.868 0.154 0.000 0.949 262 T HN 0.400 nan 8.240 nan 0.000 0.526 263 E N 0.385 120.666 120.200 0.134 0.000 2.378 263 E HA 0.246 4.596 4.350 -0.000 0.000 0.200 263 E C 1.786 178.480 176.600 0.155 0.000 0.882 263 E CA -0.105 56.372 56.400 0.129 0.000 1.061 263 E CB -0.260 29.497 29.700 0.095 0.000 1.049 263 E HN 0.283 nan 8.360 nan 0.000 0.494 264 I N 1.350 122.003 120.570 0.139 0.000 2.315 264 I HA -0.031 4.139 4.170 -0.000 0.000 0.248 264 I C 2.225 178.496 176.117 0.256 0.000 1.117 264 I CA 1.603 63.020 61.300 0.195 0.000 1.404 264 I CB -1.475 36.587 38.000 0.103 0.000 1.071 264 I HN 0.303 nan 8.210 nan 0.000 0.419 265 G N 1.024 109.953 108.800 0.215 0.000 2.443 265 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.219 265 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.219 265 G C 1.606 176.652 174.900 0.243 0.000 1.131 265 G CA 0.174 45.402 45.100 0.214 0.000 0.775 265 G HN 0.210 nan 8.290 nan 0.000 0.547 266 I N 0.723 121.459 120.570 0.277 0.000 2.500 266 I HA -0.010 4.160 4.170 -0.000 0.000 0.252 266 I C 2.446 178.779 176.117 0.359 0.000 1.142 266 I CA 0.846 62.374 61.300 0.380 0.000 1.451 266 I CB -0.861 37.307 38.000 0.281 0.000 1.093 266 I HN 0.293 nan 8.210 nan 0.000 0.430 267 E N 0.446 120.816 120.200 0.283 0.000 2.072 267 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 267 E C 2.356 179.060 176.600 0.173 0.000 0.982 267 E CA 1.152 57.708 56.400 0.259 0.000 0.803 267 E CB -0.026 29.877 29.700 0.339 0.000 0.755 267 E HN 0.382 nan 8.360 nan 0.000 0.453 268 M N 0.274 119.970 119.600 0.160 0.000 2.156 268 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 268 M C 2.221 178.521 176.300 -0.000 0.000 1.067 268 M CA 1.093 56.422 55.300 0.047 0.000 1.131 268 M CB -0.017 32.635 32.600 0.087 0.000 1.368 268 M HN -0.134 nan 8.290 nan 0.000 0.416 269 K N 0.277 120.670 120.400 -0.012 0.000 2.243 269 K HA 0.001 4.321 4.320 -0.000 0.000 0.201 269 K C 0.965 177.247 176.600 -0.530 0.000 1.051 269 K CA 1.461 57.587 56.287 -0.269 0.000 0.970 269 K CB 0.102 32.408 32.500 -0.323 0.000 0.755 269 K HN 0.219 nan 8.250 nan 0.000 0.465 270 F N -0.563 119.445 119.950 0.098 0.000 2.778 270 F HA 0.270 4.797 4.527 -0.000 0.000 0.314 270 F C 1.169 177.024 175.800 0.093 0.000 1.073 270 F CA -0.177 57.883 58.000 0.100 0.000 1.218 270 F CB 0.559 39.626 39.000 0.113 0.000 1.037 270 F HN -0.216 nan 8.300 nan 0.000 0.594 271 K N 0.219 120.756 120.400 0.227 0.000 2.374 271 K HA 0.154 4.474 4.320 -0.000 0.000 0.196 271 K C -0.219 176.431 176.600 0.083 0.000 1.023 271 K CA 0.088 56.472 56.287 0.162 0.000 1.103 271 K CB -0.648 31.951 32.500 0.164 0.000 0.848 271 K HN 0.114 nan 8.250 nan 0.000 0.528 272 N N 1.574 120.302 118.700 0.048 0.000 2.705 272 N HA -0.185 4.555 4.740 -0.000 0.000 0.255 272 N C -0.467 175.014 175.510 -0.049 0.000 1.008 272 N CA 0.927 53.975 53.050 -0.002 0.000 0.742 272 N CB -0.901 37.597 38.487 0.018 0.000 0.906 272 N HN 0.261 nan 8.380 nan 0.000 0.541 273 M N 0.214 119.750 119.600 -0.107 0.000 2.528 273 M HA 0.505 4.985 4.480 -0.000 0.000 0.318 273 M C 0.208 176.272 176.300 -0.395 0.000 1.195 273 M CA -0.761 54.370 55.300 -0.282 0.000 1.000 273 M CB 1.771 34.135 32.600 -0.393 0.000 1.615 273 M HN 0.123 nan 8.290 nan 0.000 0.469 274 L N 2.514 123.414 121.223 -0.539 0.000 2.504 274 L HA 0.494 4.834 4.340 -0.000 0.000 0.265 274 L C -1.951 174.662 176.870 -0.428 0.000 0.975 274 L CA 0.011 54.619 54.840 -0.386 0.000 0.864 274 L CB 0.912 42.876 42.059 -0.159 0.000 1.212 274 L HN 0.412 nan 8.230 nan 0.000 0.416 275 F N 6.958 126.932 119.950 0.039 0.000 2.313 275 F HA 0.488 5.015 4.527 -0.000 0.000 0.369 275 F C -1.237 174.576 175.800 0.021 0.000 1.109 275 F CA -2.041 55.973 58.000 0.023 0.000 1.132 275 F CB 0.680 39.688 39.000 0.014 0.000 1.291 275 F HN 0.421 nan 8.300 nan 0.000 0.496 276 P HA -0.145 nan 4.420 nan 0.000 0.222 276 P C 0.208 177.546 177.300 0.063 0.000 1.147 276 P CA 1.058 64.209 63.100 0.085 0.000 0.790 276 P CB 0.441 32.174 31.700 0.055 0.000 0.780 277 M N 0.068 119.700 119.600 0.053 0.000 2.197 277 M HA 0.472 4.952 4.480 -0.000 0.000 0.301 277 M C -1.584 174.679 176.300 -0.062 0.000 0.987 277 M CA -0.712 54.563 55.300 -0.041 0.000 0.921 277 M CB 1.495 34.012 32.600 -0.137 0.000 1.569 277 M HN -0.299 nan 8.290 nan 0.000 0.431 278 I N 4.446 124.945 120.570 -0.119 0.000 2.608 278 I HA 0.670 4.840 4.170 -0.000 0.000 0.295 278 I C -1.374 174.456 176.117 -0.479 0.000 1.049 278 I CA -1.186 59.947 61.300 -0.278 0.000 1.063 278 I CB 2.381 40.219 38.000 -0.270 0.000 1.248 278 I HN 0.545 nan 8.210 nan 0.000 0.424 279 V N 6.321 125.919 119.914 -0.526 0.000 2.525 279 V HA 0.393 4.513 4.120 -0.000 0.000 0.299 279 V C -0.966 174.768 176.094 -0.600 0.000 1.034 279 V CA -0.425 61.555 62.300 -0.535 0.000 0.863 279 V CB 1.554 33.197 31.823 -0.300 0.000 0.999 279 V HN 0.933 nan 8.190 nan 0.000 0.423 280 C N 10.043 128.904 119.300 -0.732 0.000 2.303 280 C HA 0.670 5.130 4.460 -0.000 0.000 0.341 280 C C -1.198 173.609 174.990 -0.304 0.000 1.244 280 C CA -1.179 57.537 59.018 -0.503 0.000 1.765 280 C CB 1.060 28.583 27.740 -0.361 0.000 2.379 280 C HN 0.862 nan 8.230 nan 0.000 0.530 281 P HA 0.159 nan 4.420 nan 0.000 0.263 281 P C 0.903 178.181 177.300 -0.037 0.000 1.448 281 P CA 0.362 63.396 63.100 -0.111 0.000 0.983 281 P CB 0.174 31.818 31.700 -0.094 0.000 1.481 282 A N -0.230 122.565 122.820 -0.042 0.000 1.940 282 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 282 A C 1.772 179.503 177.584 0.245 0.000 1.176 282 A CA 1.161 53.241 52.037 0.073 0.000 0.631 282 A CB -1.511 17.544 19.000 0.092 0.000 0.814 282 A HN 0.182 nan 8.150 nan 0.000 0.446 283 W N 0.043 121.373 121.300 0.050 0.000 2.436 283 W HA 0.190 4.850 4.660 -0.000 0.000 0.284 283 W C 0.634 177.165 176.519 0.021 0.000 1.225 283 W CA -0.689 56.685 57.345 0.048 0.000 1.271 283 W CB -1.001 28.501 29.460 0.071 0.000 1.114 283 W HN 0.108 nan 8.180 nan 0.000 0.559 284 I N 4.770 125.479 120.570 0.233 0.000 3.022 284 I HA -0.171 3.999 4.170 -0.000 0.000 0.290 284 I C -0.610 175.555 176.117 0.078 0.000 1.212 284 I CA -0.460 60.914 61.300 0.123 0.000 1.377 284 I CB 0.244 38.282 38.000 0.063 0.000 1.417 284 I HN -0.261 nan 8.210 nan 0.000 0.540 285 P HA -0.194 nan 4.420 nan 0.000 0.218 285 P C 1.118 178.418 177.300 0.001 0.000 1.148 285 P CA 1.355 64.469 63.100 0.023 0.000 0.822 285 P CB 0.315 32.023 31.700 0.012 0.000 0.784 286 E N 0.050 120.250 120.200 0.001 0.000 2.160 286 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 286 E C 1.858 178.444 176.600 -0.023 0.000 0.991 286 E CA 0.925 57.316 56.400 -0.016 0.000 0.810 286 E CB -0.900 28.791 29.700 -0.014 0.000 0.742 286 E HN 0.312 nan 8.360 nan 0.000 0.466 287 L N 0.543 121.760 121.223 -0.010 0.000 2.612 287 L HA 0.129 4.469 4.340 -0.000 0.000 0.230 287 L C 0.873 177.736 176.870 -0.011 0.000 1.140 287 L CA 0.129 54.961 54.840 -0.015 0.000 0.896 287 L CB 0.036 42.089 42.059 -0.010 0.000 1.065 287 L HN 0.090 nan 8.230 nan 0.000 0.447 288 N N -1.089 117.603 118.700 -0.013 0.000 2.160 288 N HA 0.035 4.775 4.740 -0.000 0.000 0.226 288 N C 0.340 175.828 175.510 -0.037 0.000 1.256 288 N CA 0.044 53.084 53.050 -0.017 0.000 0.890 288 N CB 1.150 39.631 38.487 -0.011 0.000 1.116 288 N HN 0.029 nan 8.380 nan 0.000 0.517 289 S N 0.817 116.485 115.700 -0.054 0.000 2.565 289 S HA 0.372 4.842 4.470 -0.000 0.000 0.276 289 S C -0.115 174.391 174.600 -0.155 0.000 1.326 289 S CA -0.129 58.017 58.200 -0.091 0.000 1.045 289 S CB 0.813 63.960 63.200 -0.089 0.000 0.918 289 S HN -0.072 nan 8.310 nan 0.000 0.505 290 V N 5.208 124.992 119.914 -0.216 0.000 2.409 290 V HA 0.459 4.579 4.120 -0.000 0.000 0.290 290 V C -0.550 175.304 176.094 -0.402 0.000 1.017 290 V CA -0.588 61.456 62.300 -0.428 0.000 0.841 290 V CB 1.351 32.946 31.823 -0.379 0.000 1.003 290 V HN 0.932 nan 8.190 nan 0.000 0.426 291 E N 3.381 123.294 120.200 -0.479 0.000 2.210 291 E HA 0.472 4.822 4.350 -0.000 0.000 0.266 291 E C -1.025 175.324 176.600 -0.419 0.000 0.883 291 E CA -0.805 55.401 56.400 -0.323 0.000 0.761 291 E CB 1.798 31.378 29.700 -0.201 0.000 1.156 291 E HN 0.653 nan 8.360 nan 0.000 0.412 292 H N 2.090 121.071 119.070 -0.150 0.000 2.741 292 H HA 0.262 4.818 4.556 -0.000 0.000 0.282 292 H C 0.195 175.509 175.328 -0.023 0.000 1.122 292 H CA -0.263 55.735 56.048 -0.083 0.000 1.293 292 H CB 1.080 30.825 29.762 -0.029 0.000 1.415 292 H HN 0.624 nan 8.280 nan 0.000 0.472 293 G N 2.876 111.705 108.800 0.049 0.000 2.552 293 G HA2 0.175 4.135 3.960 -0.000 0.000 0.318 293 G HA3 0.175 4.135 3.960 -0.000 0.000 0.318 293 G C -1.324 173.678 174.900 0.171 0.000 1.240 293 G CA -1.267 43.872 45.100 0.066 0.000 1.002 293 G HN 0.297 nan 8.290 nan 0.000 0.493 294 P HA 0.023 nan 4.420 nan 0.000 0.225 294 P C 0.187 177.625 177.300 0.231 0.000 1.156 294 P CA 0.933 64.122 63.100 0.148 0.000 0.787 294 P CB 0.546 32.285 31.700 0.064 0.000 0.802 295 D N -0.650 119.857 120.400 0.178 0.000 2.379 295 D HA 0.261 4.901 4.640 -0.000 0.000 0.208 295 D C 1.310 177.642 176.300 0.053 0.000 1.065 295 D CA 0.613 54.709 54.000 0.159 0.000 0.848 295 D CB 1.376 42.204 40.800 0.045 0.000 0.949 295 D HN 0.230 nan 8.370 nan 0.000 0.509 296 G N 0.265 108.982 108.800 -0.138 0.000 2.351 296 G HA2 0.224 4.184 3.960 -0.000 0.000 0.279 296 G HA3 0.224 4.184 3.960 -0.000 0.000 0.279 296 G C -1.771 172.911 174.900 -0.363 0.000 1.297 296 G CA -0.925 43.797 45.100 -0.630 0.000 0.886 296 G HN 0.020 nan 8.290 nan 0.000 0.493 297 I N 1.469 121.854 120.570 -0.308 0.000 2.389 297 I HA 0.431 4.601 4.170 -0.000 0.000 0.288 297 I C 0.184 176.004 176.117 -0.495 0.000 0.999 297 I CA -0.546 60.476 61.300 -0.464 0.000 1.129 297 I CB 1.913 39.545 38.000 -0.613 0.000 1.288 297 I HN 0.322 nan 8.210 nan 0.000 0.444 298 S N 5.706 121.088 115.700 -0.530 0.000 2.562 298 S HA 0.603 5.073 4.470 -0.000 0.000 0.275 298 S C -0.686 173.536 174.600 -0.629 0.000 1.281 298 S CA -0.289 57.666 58.200 -0.408 0.000 1.045 298 S CB 0.647 63.685 63.200 -0.269 0.000 0.962 298 S HN 0.262 nan 8.310 nan 0.000 0.503 299 F N 0.960 120.774 119.950 -0.227 0.000 2.518 299 F HA 0.492 5.019 4.527 -0.000 0.000 0.323 299 F C 0.965 176.662 175.800 -0.171 0.000 1.129 299 F CA -0.745 57.132 58.000 -0.206 0.000 0.920 299 F CB 1.321 40.191 39.000 -0.216 0.000 1.160 299 F HN 0.694 nan 8.300 nan 0.000 0.440 300 G N 0.993 109.802 108.800 0.016 0.000 2.559 300 G HA2 0.325 4.285 3.960 -0.000 0.000 0.235 300 G HA3 0.325 4.285 3.960 -0.000 0.000 0.235 300 G C 0.862 175.756 174.900 -0.010 0.000 1.266 300 G CA 0.065 45.154 45.100 -0.017 0.000 0.847 300 G HN 0.948 nan 8.290 nan 0.000 0.583 301 A N 1.864 124.665 122.820 -0.032 0.000 1.940 301 A HA 0.105 4.425 4.320 -0.000 0.000 0.219 301 A C 2.631 180.194 177.584 -0.036 0.000 1.176 301 A CA 2.361 54.374 52.037 -0.040 0.000 0.631 301 A CB -0.539 18.436 19.000 -0.040 0.000 0.814 301 A HN 1.419 nan 8.150 nan 0.000 0.446 302 A N -1.489 121.315 122.820 -0.027 0.000 2.239 302 A HA 0.152 4.472 4.320 -0.000 0.000 0.209 302 A C 0.966 178.529 177.584 -0.036 0.000 1.171 302 A CA 0.265 52.287 52.037 -0.024 0.000 0.768 302 A CB -1.122 17.874 19.000 -0.006 0.000 0.790 302 A HN 0.483 nan 8.150 nan 0.000 0.478 303 C N 2.882 122.160 119.300 -0.037 0.000 2.601 303 C HA 0.220 4.680 4.460 -0.000 0.000 0.405 303 C C -1.787 173.137 174.990 -0.110 0.000 1.441 303 C CA -0.965 58.021 59.018 -0.053 0.000 1.555 303 C CB -0.504 27.240 27.740 0.007 0.000 2.450 303 C HN 0.446 nan 8.230 nan 0.000 0.614 304 P HA 0.056 nan 4.420 nan 0.000 0.271 304 P C 0.776 177.945 177.300 -0.217 0.000 1.218 304 P CA 0.154 63.155 63.100 -0.165 0.000 0.780 304 P CB 0.608 32.192 31.700 -0.192 0.000 0.901 305 L N 1.743 122.813 121.223 -0.254 0.000 2.189 305 L HA -0.238 4.102 4.340 -0.000 0.000 0.214 305 L C 2.590 179.281 176.870 -0.298 0.000 1.097 305 L CA 2.280 56.915 54.840 -0.341 0.000 0.764 305 L CB -1.115 40.650 42.059 -0.490 0.000 0.900 305 L HN 0.482 nan 8.230 nan 0.000 0.436 306 S N 0.811 116.372 115.700 -0.232 0.000 2.402 306 S HA -0.168 4.302 4.470 -0.000 0.000 0.229 306 S C 1.874 176.366 174.600 -0.179 0.000 1.021 306 S CA 1.147 59.234 58.200 -0.189 0.000 0.974 306 S CB -0.633 62.478 63.200 -0.149 0.000 0.800 306 S HN 0.529 nan 8.310 nan 0.000 0.484 307 I N 0.167 120.628 120.570 -0.181 0.000 2.500 307 I HA 0.123 4.293 4.170 -0.000 0.000 0.252 307 I C 2.062 178.092 176.117 -0.145 0.000 1.142 307 I CA 0.501 61.725 61.300 -0.127 0.000 1.451 307 I CB -0.808 37.141 38.000 -0.086 0.000 1.093 307 I HN 0.106 nan 8.210 nan 0.000 0.430 308 V N 1.443 121.160 119.914 -0.327 0.000 2.343 308 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 308 V C 2.730 178.588 176.094 -0.394 0.000 1.051 308 V CA 2.366 64.269 62.300 -0.661 0.000 1.036 308 V CB -0.982 30.333 31.823 -0.847 0.000 0.654 308 V HN 0.630 nan 8.190 nan 0.000 0.451 309 E N 0.409 120.434 120.200 -0.293 0.000 2.051 309 E HA -0.285 4.065 4.350 -0.000 0.000 0.192 309 E C 2.304 178.817 176.600 -0.145 0.000 0.991 309 E CA 1.711 57.983 56.400 -0.212 0.000 0.799 309 E CB -0.126 29.455 29.700 -0.198 0.000 0.748 309 E HN 0.554 nan 8.360 nan 0.000 0.449 310 K N -0.373 119.954 120.400 -0.121 0.000 1.991 310 K HA -0.147 4.173 4.320 -0.000 0.000 0.212 310 K C 2.153 178.729 176.600 -0.039 0.000 1.049 310 K CA 2.092 58.334 56.287 -0.074 0.000 0.932 310 K CB -0.238 32.222 32.500 -0.067 0.000 0.717 310 K HN 0.100 nan 8.250 nan 0.000 0.441 311 T N 1.533 116.086 114.554 -0.002 0.000 2.759 311 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 311 T C 1.635 176.345 174.700 0.017 0.000 1.042 311 T CA 1.161 63.301 62.100 0.067 0.000 1.140 311 T CB -0.094 68.916 68.868 0.236 0.000 0.864 311 T HN 0.065 nan 8.240 nan 0.000 0.455 312 L N 1.197 122.380 121.223 -0.067 0.000 2.109 312 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 312 L C 2.724 179.566 176.870 -0.047 0.000 1.086 312 L CA 1.033 55.784 54.840 -0.148 0.000 0.760 312 L CB -0.931 40.993 42.059 -0.224 0.000 0.910 312 L HN 0.280 nan 8.230 nan 0.000 0.437 313 V N -3.309 116.581 119.914 -0.039 0.000 2.548 313 V HA -0.168 3.951 4.120 -0.000 0.000 0.249 313 V C 2.028 178.129 176.094 0.012 0.000 1.055 313 V CA 1.708 64.001 62.300 -0.012 0.000 1.065 313 V CB -0.564 31.239 31.823 -0.033 0.000 0.681 313 V HN 0.313 nan 8.190 nan 0.000 0.462 314 D N 1.474 121.880 120.400 0.010 0.000 2.097 314 D HA -0.069 4.571 4.640 -0.000 0.000 0.195 314 D C 2.342 178.673 176.300 0.052 0.000 0.989 314 D CA 2.054 56.066 54.000 0.021 0.000 0.827 314 D CB -0.348 40.461 40.800 0.016 0.000 0.966 314 D HN 0.598 nan 8.370 nan 0.000 0.456 315 A N 0.626 123.496 122.820 0.084 0.000 1.972 315 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 315 A C 2.443 180.154 177.584 0.211 0.000 1.169 315 A CA 0.988 53.127 52.037 0.170 0.000 0.635 315 A CB -0.546 18.587 19.000 0.221 0.000 0.810 315 A HN 0.157 nan 8.150 nan 0.000 0.446 316 V N -0.711 119.310 119.914 0.179 0.000 3.041 316 V HA -0.083 4.037 4.120 -0.000 0.000 0.260 316 V C 2.724 178.876 176.094 0.095 0.000 1.105 316 V CA 1.473 63.875 62.300 0.169 0.000 1.125 316 V CB -0.518 31.392 31.823 0.146 0.000 0.730 316 V HN 0.603 nan 8.190 nan 0.000 0.479 317 A N -0.646 122.214 122.820 0.067 0.000 2.030 317 A HA 0.000 4.320 4.320 -0.000 0.000 0.215 317 A C 2.161 179.765 177.584 0.033 0.000 1.164 317 A CA 0.971 53.032 52.037 0.039 0.000 0.697 317 A CB -0.125 18.889 19.000 0.022 0.000 0.827 317 A HN 0.393 nan 8.150 nan 0.000 0.457 318 K N -0.582 119.843 120.400 0.041 0.000 2.202 318 K HA 0.335 4.655 4.320 -0.000 0.000 0.201 318 K C 0.419 177.034 176.600 0.026 0.000 1.051 318 K CA 0.309 56.611 56.287 0.025 0.000 0.977 318 K CB -0.146 32.363 32.500 0.014 0.000 0.792 318 K HN 0.420 nan 8.250 nan 0.000 0.469 319 L N 1.796 123.053 121.223 0.057 0.000 2.421 319 L HA 0.298 4.638 4.340 -0.000 0.000 0.263 319 L C -2.081 174.800 176.870 0.020 0.000 1.122 319 L CA -2.261 52.602 54.840 0.037 0.000 0.804 319 L CB 0.502 42.613 42.059 0.087 0.000 1.150 319 L HN -0.083 nan 8.230 nan 0.000 0.457 320 P HA 0.053 nan 4.420 nan 0.000 0.271 320 P C 0.149 177.445 177.300 -0.007 0.000 1.220 320 P CA -0.084 63.005 63.100 -0.018 0.000 0.768 320 P CB 1.086 32.761 31.700 -0.042 0.000 0.848 321 A N 3.638 126.464 122.820 0.009 0.000 1.971 321 A HA -0.276 4.044 4.320 -0.000 0.000 0.222 321 A C 1.887 179.483 177.584 0.020 0.000 1.182 321 A CA 1.548 53.598 52.037 0.023 0.000 0.649 321 A CB -0.942 18.074 19.000 0.026 0.000 0.818 321 A HN 0.502 nan 8.150 nan 0.000 0.458 322 Q N -0.647 119.160 119.800 0.011 0.000 2.541 322 Q HA -0.031 4.309 4.340 -0.000 0.000 0.215 322 Q C 1.169 177.147 176.000 -0.037 0.000 0.977 322 Q CA 1.066 56.877 55.803 0.014 0.000 0.934 322 Q CB -0.047 28.697 28.738 0.010 0.000 0.988 322 Q HN 0.737 nan 8.270 nan 0.000 0.521 323 K N -0.925 119.434 120.400 -0.068 0.000 2.373 323 K HA 0.074 4.394 4.320 -0.000 0.000 0.200 323 K C 1.050 177.544 176.600 -0.176 0.000 1.054 323 K CA 0.560 56.774 56.287 -0.122 0.000 1.065 323 K CB 0.980 33.353 32.500 -0.212 0.000 0.886 323 K HN 0.098 nan 8.250 nan 0.000 0.546 324 T N -1.934 112.544 114.554 -0.126 0.000 3.174 324 T HA 0.181 4.531 4.350 -0.000 0.000 0.269 324 T C 1.023 175.679 174.700 -0.072 0.000 1.017 324 T CA -0.291 61.713 62.100 -0.160 0.000 0.899 324 T CB 0.373 69.289 68.868 0.079 0.000 1.077 324 T HN -0.103 nan 8.240 nan 0.000 0.552 325 E N 1.486 121.652 120.200 -0.057 0.000 2.097 325 E HA -0.096 4.254 4.350 -0.000 0.000 0.196 325 E C 2.143 178.742 176.600 -0.001 0.000 1.000 325 E CA 1.165 57.596 56.400 0.051 0.000 0.804 325 E CB -0.259 29.520 29.700 0.131 0.000 0.740 325 E HN 0.486 nan 8.360 nan 0.000 0.454 326 V N 1.004 120.776 119.914 -0.236 0.000 2.488 326 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 326 V C 2.192 178.242 176.094 -0.074 0.000 1.046 326 V CA 1.100 63.100 62.300 -0.499 0.000 1.053 326 V CB -0.575 30.901 31.823 -0.579 0.000 0.679 326 V HN 0.072 nan 8.190 nan 0.000 0.458 327 F N 1.070 120.946 119.950 -0.123 0.000 2.095 327 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 327 F C 2.622 178.393 175.800 -0.048 0.000 1.104 327 F CA 1.691 59.654 58.000 -0.062 0.000 1.232 327 F CB -1.111 37.890 39.000 0.001 0.000 0.987 327 F HN 0.077 nan 8.300 nan 0.000 0.475 328 R N 0.129 120.741 120.500 0.187 0.000 2.091 328 R HA -0.106 4.233 4.340 -0.000 0.000 0.238 328 R C 2.564 178.907 176.300 0.072 0.000 1.136 328 R CA 1.402 57.565 56.100 0.105 0.000 0.959 328 R CB -1.179 29.178 30.300 0.094 0.000 0.856 328 R HN 0.349 nan 8.270 nan 0.000 0.437 329 G N -0.664 108.198 108.800 0.105 0.000 2.446 329 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 329 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 329 G C 1.403 176.326 174.900 0.037 0.000 1.168 329 G CA 1.066 46.251 45.100 0.141 0.000 0.771 329 G HN 0.220 nan 8.290 nan 0.000 0.551 330 V N 1.071 120.978 119.914 -0.011 0.000 2.332 330 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 330 V C 2.909 178.953 176.094 -0.084 0.000 1.055 330 V CA 1.470 63.720 62.300 -0.082 0.000 1.038 330 V CB -0.487 31.289 31.823 -0.079 0.000 0.651 330 V HN 0.340 nan 8.190 nan 0.000 0.450 331 L N -0.550 120.639 121.223 -0.057 0.000 2.131 331 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 331 L C 2.764 179.581 176.870 -0.088 0.000 1.092 331 L CA 1.263 56.055 54.840 -0.080 0.000 0.759 331 L CB -0.557 41.472 42.059 -0.051 0.000 0.903 331 L HN 0.329 nan 8.230 nan 0.000 0.435 332 E N -0.106 120.063 120.200 -0.051 0.000 2.077 332 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 332 E C 2.265 178.860 176.600 -0.008 0.000 0.989 332 E CA 1.034 57.412 56.400 -0.036 0.000 0.800 332 E CB 0.009 29.698 29.700 -0.019 0.000 0.746 332 E HN 0.446 nan 8.360 nan 0.000 0.452 333 Q N 0.273 120.073 119.800 -0.001 0.000 2.046 333 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 333 Q C 2.579 178.634 176.000 0.092 0.000 0.975 333 Q CA 0.667 56.507 55.803 0.062 0.000 0.836 333 Q CB -0.506 28.239 28.738 0.010 0.000 0.896 333 Q HN 0.334 nan 8.270 nan 0.000 0.428 334 L N 0.454 121.672 121.223 -0.009 0.000 2.079 334 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 334 L C 2.706 179.531 176.870 -0.075 0.000 1.081 334 L CA 1.118 55.931 54.840 -0.046 0.000 0.752 334 L CB -0.432 41.523 42.059 -0.173 0.000 0.896 334 L HN 0.239 nan 8.230 nan 0.000 0.433 335 R N -0.116 120.249 120.500 -0.224 0.000 2.117 335 R HA -0.214 4.126 4.340 -0.000 0.000 0.243 335 R C 1.019 176.957 176.300 -0.603 0.000 1.143 335 R CA 2.023 57.814 56.100 -0.514 0.000 0.968 335 R CB -0.143 29.698 30.300 -0.764 0.000 0.863 335 R HN 0.417 nan 8.270 nan 0.000 0.444 336 W N -1.077 120.244 121.300 0.036 0.000 2.862 336 W HA 0.234 4.894 4.660 -0.000 0.000 0.426 336 W C -0.598 175.954 176.519 0.055 0.000 0.950 336 W CA -1.176 56.178 57.345 0.015 0.000 2.150 336 W CB 0.285 29.724 29.460 -0.036 0.000 1.161 336 W HN -0.112 nan 8.180 nan 0.000 0.696 337 F N 1.991 121.980 119.950 0.064 0.000 2.350 337 F HA 0.636 5.163 4.527 -0.000 0.000 0.365 337 F C 1.074 176.893 175.800 0.032 0.000 1.122 337 F CA -0.580 57.440 58.000 0.035 0.000 1.139 337 F CB -0.178 38.810 39.000 -0.020 0.000 1.220 337 F HN 0.117 nan 8.300 nan 0.000 0.499 338 A N 3.714 126.649 122.820 0.191 0.000 5.481 338 A HA -0.000 4.320 4.320 -0.000 0.000 0.318 338 A C 0.757 178.451 177.584 0.182 0.000 1.837 338 A CA 1.225 53.377 52.037 0.192 0.000 0.717 338 A CB -1.923 17.258 19.000 0.303 0.000 1.349 338 A HN 1.618 nan 8.150 nan 0.000 0.388 339 G N -3.641 105.259 108.800 0.168 0.000 3.086 339 G HA2 0.539 4.499 3.960 -0.000 0.000 0.282 339 G HA3 0.539 4.499 3.960 -0.000 0.000 0.282 339 G C 0.294 175.245 174.900 0.085 0.000 1.343 339 G CA 0.487 45.656 45.100 0.116 0.000 0.895 339 G HN 0.623 nan 8.290 nan 0.000 0.557 340 K N -0.479 119.949 120.400 0.048 0.000 2.057 340 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 340 K C 2.616 179.257 176.600 0.069 0.000 1.050 340 K CA 1.382 57.685 56.287 0.026 0.000 0.935 340 K CB -0.288 32.204 32.500 -0.013 0.000 0.715 340 K HN 0.458 nan 8.250 nan 0.000 0.439 341 Q N 0.331 120.190 119.800 0.098 0.000 2.084 341 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 341 Q C 2.208 178.289 176.000 0.135 0.000 0.978 341 Q CA 1.164 57.042 55.803 0.126 0.000 0.844 341 Q CB -0.426 28.390 28.738 0.128 0.000 0.898 341 Q HN 0.002 nan 8.270 nan 0.000 0.426 342 V N 0.752 120.746 119.914 0.133 0.000 2.379 342 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 342 V C 1.907 178.061 176.094 0.100 0.000 1.044 342 V CA 1.636 64.022 62.300 0.144 0.000 1.036 342 V CB -0.342 31.594 31.823 0.189 0.000 0.664 342 V HN 0.312 nan 8.190 nan 0.000 0.453 343 K N -0.159 120.277 120.400 0.060 0.000 2.280 343 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 343 K C 2.226 178.785 176.600 -0.068 0.000 1.047 343 K CA 1.371 57.625 56.287 -0.054 0.000 0.942 343 K CB -0.183 32.261 32.500 -0.093 0.000 0.739 343 K HN 0.334 nan 8.250 nan 0.000 0.457 344 S N 0.366 116.069 115.700 0.005 0.000 2.489 344 S HA -0.058 4.412 4.470 -0.000 0.000 0.228 344 S C 1.789 176.348 174.600 -0.067 0.000 0.995 344 S CA 1.043 59.234 58.200 -0.016 0.000 0.934 344 S CB 0.216 63.533 63.200 0.196 0.000 0.771 344 S HN 0.299 nan 8.310 nan 0.000 0.522 345 V N -2.403 117.526 119.914 0.024 0.000 3.484 345 V HA 0.581 4.701 4.120 -0.000 0.000 0.252 345 V C 0.706 176.809 176.094 0.015 0.000 1.282 345 V CA 0.025 62.350 62.300 0.041 0.000 1.104 345 V CB -0.637 31.273 31.823 0.144 0.000 0.868 345 V HN 0.254 nan 8.190 nan 0.000 0.457 346 A N 2.524 125.350 122.820 0.011 0.000 2.488 346 A HA 0.601 4.920 4.320 -0.000 0.000 0.249 346 A C 0.693 178.243 177.584 -0.057 0.000 1.083 346 A CA 0.664 52.705 52.037 0.007 0.000 0.768 346 A CB -0.141 18.884 19.000 0.042 0.000 1.017 346 A HN 1.015 nan 8.150 nan 0.000 0.496 347 S N 2.035 117.715 115.700 -0.034 0.000 2.586 347 S HA 0.295 4.765 4.470 -0.000 0.000 0.274 347 S C 0.927 175.489 174.600 -0.063 0.000 1.281 347 S CA -0.090 58.075 58.200 -0.058 0.000 1.035 347 S CB 1.471 64.651 63.200 -0.033 0.000 0.962 347 S HN 1.307 nan 8.310 nan 0.000 0.512 348 V N 3.264 123.120 119.914 -0.097 0.000 2.490 348 V HA 0.021 4.141 4.120 -0.000 0.000 0.250 348 V C 2.115 178.198 176.094 -0.019 0.000 1.061 348 V CA 2.552 64.804 62.300 -0.079 0.000 1.064 348 V CB -1.268 30.464 31.823 -0.151 0.000 0.670 348 V HN 1.081 nan 8.190 nan 0.000 0.461 349 G N -0.495 108.285 108.800 -0.034 0.000 2.402 349 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 349 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 349 G C 1.602 176.518 174.900 0.026 0.000 1.162 349 G CA 0.742 45.833 45.100 -0.015 0.000 0.777 349 G HN 0.652 nan 8.290 nan 0.000 0.539 350 G N 0.963 109.776 108.800 0.021 0.000 2.469 350 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.219 350 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.219 350 G C 1.690 176.643 174.900 0.087 0.000 1.150 350 G CA 1.355 46.479 45.100 0.041 0.000 0.763 350 G HN 0.541 nan 8.290 nan 0.000 0.561 351 N N 0.283 119.054 118.700 0.119 0.000 2.188 351 N HA -0.018 4.722 4.740 -0.000 0.000 0.184 351 N C 2.179 177.808 175.510 0.198 0.000 1.018 351 N CA 0.989 54.147 53.050 0.180 0.000 0.858 351 N CB -0.191 38.443 38.487 0.245 0.000 0.989 351 N HN 0.428 nan 8.380 nan 0.000 0.426 352 I N 0.208 120.905 120.570 0.211 0.000 2.133 352 I HA -0.214 3.956 4.170 -0.000 0.000 0.238 352 I C 1.565 177.875 176.117 0.322 0.000 1.074 352 I CA 0.745 62.215 61.300 0.284 0.000 1.342 352 I CB -0.263 37.842 38.000 0.174 0.000 1.053 352 I HN 0.175 nan 8.210 nan 0.000 0.404 353 I N 0.534 121.227 120.570 0.206 0.000 2.614 353 I HA -0.173 3.997 4.170 -0.000 0.000 0.258 353 I C 2.501 178.694 176.117 0.127 0.000 1.189 353 I CA 1.391 62.792 61.300 0.168 0.000 1.462 353 I CB -1.786 36.260 38.000 0.076 0.000 1.092 353 I HN 0.258 nan 8.210 nan 0.000 0.442 354 T N 1.348 115.967 114.554 0.108 0.000 2.788 354 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 354 T C 1.398 176.127 174.700 0.049 0.000 1.044 354 T CA 1.387 63.521 62.100 0.057 0.000 1.139 354 T CB -0.286 68.615 68.868 0.055 0.000 0.867 354 T HN 0.548 nan 8.240 nan 0.000 0.454 355 A N 1.404 124.301 122.820 0.128 0.000 2.822 355 A HA -0.149 4.171 4.320 -0.000 0.000 0.287 355 A C 0.937 178.455 177.584 -0.110 0.000 1.479 355 A CA 0.710 52.814 52.037 0.111 0.000 0.779 355 A CB -2.289 16.873 19.000 0.269 0.000 1.022 355 A HN 0.572 nan 8.150 nan 0.000 0.532 356 S N -0.513 115.127 115.700 -0.100 0.000 2.562 356 S HA 0.450 4.920 4.470 -0.000 0.000 0.281 356 S C -0.494 174.014 174.600 -0.154 0.000 1.333 356 S CA -0.505 57.616 58.200 -0.132 0.000 1.052 356 S CB 0.631 63.788 63.200 -0.072 0.000 0.884 356 S HN 0.286 nan 8.310 nan 0.000 0.506 357 P HA -0.025 nan 4.420 nan 0.000 0.220 357 P C 0.681 177.928 177.300 -0.088 0.000 1.148 357 P CA 0.816 63.865 63.100 -0.085 0.000 0.803 357 P CB -0.139 31.566 31.700 0.009 0.000 0.782 358 I N -4.716 115.805 120.570 -0.083 0.000 3.858 358 I HA 0.232 4.402 4.170 -0.000 0.000 0.325 358 I C 0.526 176.580 176.117 -0.104 0.000 1.403 358 I CA -0.962 60.287 61.300 -0.086 0.000 1.169 358 I CB -1.169 36.780 38.000 -0.085 0.000 1.077 358 I HN -0.277 nan 8.210 nan 0.000 0.403 359 S N 1.129 116.765 115.700 -0.105 0.000 2.558 359 S HA 0.019 4.489 4.470 -0.000 0.000 0.288 359 S C 0.902 175.449 174.600 -0.088 0.000 1.318 359 S CA 0.090 58.238 58.200 -0.086 0.000 1.056 359 S CB 0.309 63.469 63.200 -0.067 0.000 0.853 359 S HN 0.468 nan 8.310 nan 0.000 0.505 360 D N 3.490 123.846 120.400 -0.074 0.000 2.366 360 D HA 0.117 4.757 4.640 -0.000 0.000 0.205 360 D C 1.492 177.740 176.300 -0.088 0.000 1.022 360 D CA 0.532 54.493 54.000 -0.065 0.000 0.868 360 D CB 0.198 40.971 40.800 -0.046 0.000 0.953 360 D HN 0.503 nan 8.370 nan 0.000 0.514 361 L N 0.384 121.547 121.223 -0.099 0.000 2.357 361 L HA 0.083 4.423 4.340 -0.000 0.000 0.211 361 L C 1.914 178.460 176.870 -0.539 0.000 1.075 361 L CA 0.195 54.774 54.840 -0.436 0.000 0.830 361 L CB -0.059 41.761 42.059 -0.399 0.000 0.996 361 L HN -0.174 nan 8.230 nan 0.000 0.467 362 N N 0.555 119.190 118.700 -0.109 0.000 2.223 362 N HA -0.107 4.633 4.740 -0.000 0.000 0.185 362 N C -0.893 174.639 175.510 0.038 0.000 1.016 362 N CA 1.267 54.373 53.050 0.093 0.000 0.863 362 N CB -1.076 37.443 38.487 0.054 0.000 0.983 362 N HN 0.220 nan 8.380 nan 0.000 0.429 363 P HA -0.022 nan 4.420 nan 0.000 0.219 363 P C 1.682 178.976 177.300 -0.010 0.000 1.150 363 P CA 0.564 63.639 63.100 -0.042 0.000 0.814 363 P CB 0.266 31.907 31.700 -0.097 0.000 0.787 364 V N -1.398 118.473 119.914 -0.072 0.000 2.346 364 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 364 V C 2.022 178.185 176.094 0.114 0.000 1.037 364 V CA 1.607 63.940 62.300 0.053 0.000 1.029 364 V CB -1.238 30.503 31.823 -0.137 0.000 0.663 364 V HN -0.039 nan 8.190 nan 0.000 0.454 365 F N -0.727 119.260 119.950 0.063 0.000 2.216 365 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 365 F C 2.306 178.126 175.800 0.033 0.000 1.085 365 F CA 1.539 59.543 58.000 0.008 0.000 1.326 365 F CB -0.784 38.203 39.000 -0.022 0.000 1.027 365 F HN 0.099 nan 8.300 nan 0.000 0.497 366 M N -0.193 119.566 119.600 0.265 0.000 2.123 366 M HA -0.070 4.410 4.480 -0.000 0.000 0.263 366 M C 2.367 178.777 176.300 0.183 0.000 1.069 366 M CA 1.743 57.170 55.300 0.212 0.000 1.133 366 M CB -0.244 32.504 32.600 0.246 0.000 1.356 366 M HN 0.085 nan 8.290 nan 0.000 0.415 367 A N -0.058 122.877 122.820 0.192 0.000 2.019 367 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 367 A C 2.076 179.847 177.584 0.313 0.000 1.164 367 A CA 2.056 54.217 52.037 0.206 0.000 0.644 367 A CB -0.832 18.245 19.000 0.128 0.000 0.805 367 A HN 0.716 nan 8.150 nan 0.000 0.449 368 S N -1.770 114.100 115.700 0.284 0.000 2.556 368 S HA 0.390 4.860 4.470 -0.000 0.000 0.216 368 S C 1.191 175.831 174.600 0.067 0.000 0.970 368 S CA 0.811 59.082 58.200 0.119 0.000 0.912 368 S CB -0.506 62.607 63.200 -0.145 0.000 0.790 368 S HN 1.895 nan 8.310 nan 0.000 0.504 369 G N 1.667 110.521 108.800 0.091 0.000 2.370 369 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.293 369 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.293 369 G C 0.202 175.099 174.900 -0.005 0.000 0.992 369 G CA -0.058 45.068 45.100 0.044 0.000 1.247 369 G HN 1.221 nan 8.290 nan 0.000 0.505 370 A N 0.490 123.299 122.820 -0.018 0.000 2.425 370 A HA 0.600 4.920 4.320 -0.000 0.000 0.249 370 A C 0.801 178.297 177.584 -0.147 0.000 1.084 370 A CA 0.096 52.078 52.037 -0.092 0.000 0.781 370 A CB 0.440 19.345 19.000 -0.157 0.000 1.019 370 A HN 0.567 nan 8.150 nan 0.000 0.490 371 K N 2.225 122.540 120.400 -0.141 0.000 2.273 371 K HA 0.372 4.692 4.320 -0.000 0.000 0.287 371 K C -1.063 175.435 176.600 -0.170 0.000 1.089 371 K CA 0.225 56.431 56.287 -0.134 0.000 0.909 371 K CB 0.527 32.970 32.500 -0.096 0.000 1.123 371 K HN 0.560 nan 8.250 nan 0.000 0.473 372 L N 2.715 123.826 121.223 -0.187 0.000 2.292 372 L HA 0.257 4.597 4.340 -0.000 0.000 0.284 372 L C 0.189 176.997 176.870 -0.104 0.000 1.065 372 L CA -0.511 54.218 54.840 -0.186 0.000 0.806 372 L CB 1.420 43.322 42.059 -0.262 0.000 1.175 372 L HN 0.514 nan 8.230 nan 0.000 0.431 373 T N 4.861 119.362 114.554 -0.090 0.000 2.749 373 T HA 0.576 4.926 4.350 -0.000 0.000 0.287 373 T C -0.128 174.548 174.700 -0.040 0.000 0.970 373 T CA -0.374 61.690 62.100 -0.060 0.000 0.980 373 T CB 0.685 69.515 68.868 -0.064 0.000 0.924 373 T HN 0.276 nan 8.240 nan 0.000 0.456 374 L N 4.111 125.320 121.223 -0.024 0.000 2.334 374 L HA 0.905 5.245 4.340 -0.000 0.000 0.276 374 L C -0.172 176.685 176.870 -0.021 0.000 1.014 374 L CA -1.239 53.593 54.840 -0.014 0.000 0.815 374 L CB 1.671 43.732 42.059 0.003 0.000 1.268 374 L HN 0.431 nan 8.230 nan 0.000 0.428 375 V N -0.468 119.432 119.914 -0.023 0.000 3.147 375 V HA 0.958 5.078 4.120 -0.000 0.000 0.306 375 V C -0.547 175.531 176.094 -0.026 0.000 1.209 375 V CA -0.450 61.835 62.300 -0.025 0.000 1.023 375 V CB 1.878 33.685 31.823 -0.026 0.000 1.059 375 V HN 0.917 nan 8.190 nan 0.000 0.435 376 S N 1.420 117.105 115.700 -0.025 0.000 2.643 376 S HA 0.619 5.088 4.470 -0.000 0.000 0.270 376 S C -0.603 173.982 174.600 -0.024 0.000 1.166 376 S CA -0.904 57.280 58.200 -0.026 0.000 0.815 376 S CB 1.796 64.979 63.200 -0.028 0.000 1.139 376 S HN 1.348 nan 8.310 nan 0.000 0.472 377 R N 0.223 120.708 120.500 -0.024 0.000 2.473 377 R HA 0.396 4.736 4.340 -0.000 0.000 0.315 377 R C 1.404 177.692 176.300 -0.021 0.000 0.972 377 R CA 1.643 57.730 56.100 -0.022 0.000 1.047 377 R CB -0.867 29.420 30.300 -0.022 0.000 0.932 377 R HN 1.704 nan 8.270 nan 0.000 0.411 378 G N 2.579 111.368 108.800 -0.019 0.000 2.217 378 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.246 378 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.246 378 G C 0.067 174.956 174.900 -0.018 0.000 0.990 378 G CA 0.426 45.516 45.100 -0.018 0.000 0.627 378 G HN 0.853 nan 8.290 nan 0.000 0.522 379 T N -2.709 111.833 114.554 -0.020 0.000 2.926 379 T HA 0.803 5.153 4.350 -0.000 0.000 0.289 379 T C -0.573 174.114 174.700 -0.021 0.000 1.054 379 T CA -0.141 61.947 62.100 -0.020 0.000 1.015 379 T CB 2.973 71.828 68.868 -0.022 0.000 1.167 379 T HN 0.888 nan 8.240 nan 0.000 0.526 380 R N 0.675 121.162 120.500 -0.021 0.000 2.647 380 R HA 0.419 4.759 4.340 -0.000 0.000 0.260 380 R C -1.633 174.654 176.300 -0.021 0.000 1.154 380 R CA -0.602 55.485 56.100 -0.022 0.000 1.029 380 R CB 1.383 31.670 30.300 -0.023 0.000 1.262 380 R HN 1.105 nan 8.270 nan 0.000 0.437 381 R N 0.764 121.251 120.500 -0.021 0.000 2.710 381 R HA 0.585 4.925 4.340 -0.000 0.000 0.270 381 R C -1.525 174.761 176.300 -0.022 0.000 1.021 381 R CA -0.939 55.149 56.100 -0.020 0.000 0.889 381 R CB 2.093 32.383 30.300 -0.016 0.000 1.243 381 R HN 0.314 nan 8.270 nan 0.000 0.464 382 T N 1.288 115.828 114.554 -0.023 0.000 2.841 382 T HA 0.578 4.928 4.350 -0.000 0.000 0.283 382 T C -0.727 173.959 174.700 -0.024 0.000 1.000 382 T CA -0.675 61.406 62.100 -0.032 0.000 0.977 382 T CB 1.672 70.516 68.868 -0.039 0.000 0.979 382 T HN 0.598 nan 8.240 nan 0.000 0.446 383 V N 1.395 121.291 119.914 -0.029 0.000 2.962 383 V HA 0.698 4.818 4.120 -0.000 0.000 0.313 383 V C -0.959 175.102 176.094 -0.055 0.000 1.099 383 V CA -1.164 61.126 62.300 -0.017 0.000 0.971 383 V CB 2.052 33.896 31.823 0.035 0.000 1.028 383 V HN 0.851 nan 8.190 nan 0.000 0.430 384 Q N 2.999 122.775 119.800 -0.040 0.000 2.278 384 Q HA 0.522 4.862 4.340 -0.000 0.000 0.257 384 Q C -0.205 175.755 176.000 -0.067 0.000 0.928 384 Q CA -0.609 55.160 55.803 -0.056 0.000 0.932 384 Q CB 1.555 30.282 28.738 -0.020 0.000 1.221 384 Q HN 0.941 nan 8.270 nan 0.000 0.434 385 M N 4.902 124.416 119.600 -0.144 0.000 2.252 385 M HA 0.037 4.517 4.480 -0.000 0.000 0.348 385 M C -0.936 175.372 176.300 0.014 0.000 1.334 385 M CA 0.769 55.962 55.300 -0.178 0.000 1.071 385 M CB 0.255 32.691 32.600 -0.274 0.000 1.763 385 M HN 0.816 nan 8.290 nan 0.000 0.452 386 D N 3.156 123.608 120.400 0.088 0.000 2.895 386 D HA 0.084 4.724 4.640 -0.000 0.000 0.320 386 D C 0.606 177.048 176.300 0.237 0.000 1.249 386 D CA -0.331 53.769 54.000 0.166 0.000 0.997 386 D CB -0.111 40.773 40.800 0.139 0.000 1.430 386 D HN 0.791 nan 8.370 nan 0.000 0.558 387 H N -0.806 118.366 119.070 0.171 0.000 2.421 387 H HA -0.103 4.453 4.556 -0.000 0.000 0.298 387 H C 1.479 176.924 175.328 0.196 0.000 1.087 387 H CA 2.295 58.464 56.048 0.202 0.000 1.330 387 H CB -1.093 28.756 29.762 0.146 0.000 1.388 387 H HN 0.501 nan 8.280 nan 0.000 0.526 388 T N -2.128 112.161 114.554 -0.442 0.000 3.007 388 T HA -0.147 4.203 4.350 -0.000 0.000 0.270 388 T C 1.843 176.466 174.700 -0.128 0.000 1.107 388 T CA 0.543 62.459 62.100 -0.306 0.000 1.118 388 T CB -0.996 67.668 68.868 -0.339 0.000 0.889 388 T HN 0.253 nan 8.240 nan 0.000 0.506 389 F N 1.616 121.427 119.950 -0.231 0.000 2.269 389 F HA 0.222 4.749 4.527 -0.000 0.000 0.301 389 F C 0.030 175.465 175.800 -0.609 0.000 1.082 389 F CA 0.107 57.841 58.000 -0.443 0.000 1.360 389 F CB -0.109 38.525 39.000 -0.610 0.000 1.041 389 F HN 0.144 nan 8.300 nan 0.000 0.512 390 F N 0.969 120.952 119.950 0.055 0.000 2.310 390 F HA 0.353 4.879 4.527 -0.000 0.000 0.365 390 F C -1.687 174.110 175.800 -0.004 0.000 1.080 390 F CA -2.614 55.391 58.000 0.007 0.000 1.187 390 F CB 0.252 39.318 39.000 0.110 0.000 1.465 390 F HN -0.200 nan 8.300 nan 0.000 0.496 391 P HA 0.006 nan 4.420 nan 0.000 0.215 391 P C 0.757 178.108 177.300 0.085 0.000 1.153 391 P CA 1.078 64.197 63.100 0.031 0.000 0.853 391 P CB 0.437 32.115 31.700 -0.037 0.000 0.788 392 G N -3.471 105.394 108.800 0.108 0.000 2.619 392 G HA2 0.264 4.224 3.960 -0.000 0.000 0.305 392 G HA3 0.264 4.224 3.960 -0.000 0.000 0.305 392 G C -1.750 173.253 174.900 0.172 0.000 1.330 392 G CA -0.647 44.535 45.100 0.136 0.000 0.789 392 G HN -0.141 nan 8.290 nan 0.000 0.487 393 Y N 2.259 122.592 120.300 0.056 0.000 2.804 393 Y HA 0.143 4.693 4.550 -0.000 0.000 0.338 393 Y C 1.700 177.639 175.900 0.064 0.000 1.252 393 Y CA 1.022 59.153 58.100 0.051 0.000 1.576 393 Y CB 0.206 38.689 38.460 0.037 0.000 1.223 393 Y HN 0.600 nan 8.280 nan 0.000 0.536 394 R N 2.087 122.353 120.500 -0.390 0.000 3.863 394 R HA -0.258 4.082 4.340 -0.000 0.000 0.313 394 R C -0.658 175.611 176.300 -0.051 0.000 1.202 394 R CA 1.131 57.065 56.100 -0.277 0.000 0.852 394 R CB -1.806 28.261 30.300 -0.389 0.000 1.292 394 R HN 0.669 nan 8.270 nan 0.000 0.519 395 K N 0.324 120.737 120.400 0.022 0.000 2.281 395 K HA 0.541 4.861 4.320 -0.000 0.000 0.242 395 K C 0.575 177.146 176.600 -0.048 0.000 0.971 395 K CA -0.255 56.029 56.287 -0.004 0.000 0.834 395 K CB 2.045 34.542 32.500 -0.005 0.000 1.181 395 K HN 0.177 nan 8.250 nan 0.000 0.435 396 T N -2.515 111.903 114.554 -0.228 0.000 2.838 396 T HA 0.339 4.689 4.350 -0.000 0.000 0.292 396 T C 0.773 175.105 174.700 -0.613 0.000 1.113 396 T CA -0.941 60.779 62.100 -0.632 0.000 1.008 396 T CB 0.526 68.981 68.868 -0.687 0.000 1.259 396 T HN 0.416 nan 8.240 nan 0.000 0.520 397 L N 0.281 120.943 121.223 -0.935 0.000 2.622 397 L HA 0.226 4.566 4.340 -0.000 0.000 0.233 397 L C 0.760 177.436 176.870 -0.323 0.000 1.156 397 L CA 0.120 54.647 54.840 -0.523 0.000 0.866 397 L CB -0.605 41.173 42.059 -0.468 0.000 0.980 397 L HN 0.421 nan 8.230 nan 0.000 0.448 398 L N 0.449 121.479 121.223 -0.321 0.000 2.485 398 L HA 0.013 4.353 4.340 -0.000 0.000 0.275 398 L C 1.061 177.860 176.870 -0.119 0.000 1.207 398 L CA 0.009 54.754 54.840 -0.159 0.000 0.855 398 L CB 0.577 42.567 42.059 -0.115 0.000 1.114 398 L HN 0.228 nan 8.230 nan 0.000 0.485 399 S N 3.555 119.207 115.700 -0.081 0.000 2.617 399 S HA 0.269 4.739 4.470 -0.000 0.000 0.269 399 S C -1.320 173.247 174.600 -0.055 0.000 1.292 399 S CA -1.202 56.960 58.200 -0.064 0.000 1.010 399 S CB 1.199 64.370 63.200 -0.050 0.000 0.944 399 S HN 0.558 nan 8.310 nan 0.000 0.536 400 P HA -0.073 nan 4.420 nan 0.000 0.226 400 P C 0.399 177.677 177.300 -0.035 0.000 1.146 400 P CA 1.141 64.219 63.100 -0.038 0.000 0.773 400 P CB 0.111 31.794 31.700 -0.028 0.000 0.772 401 E N -0.358 119.820 120.200 -0.037 0.000 2.290 401 E HA 0.061 4.411 4.350 -0.000 0.000 0.197 401 E C 0.673 177.252 176.600 -0.036 0.000 0.948 401 E CA 0.199 56.578 56.400 -0.034 0.000 0.895 401 E CB -0.266 29.414 29.700 -0.033 0.000 0.865 401 E HN 0.424 nan 8.360 nan 0.000 0.486 402 E N 0.423 120.600 120.200 -0.038 0.000 2.422 402 E HA 0.230 4.580 4.350 -0.000 0.000 0.260 402 E C -0.230 176.348 176.600 -0.036 0.000 1.108 402 E CA 0.045 56.424 56.400 -0.035 0.000 0.943 402 E CB 0.601 30.281 29.700 -0.034 0.000 0.961 402 E HN 0.083 nan 8.360 nan 0.000 0.443 403 I N -1.303 119.248 120.570 -0.031 0.000 2.722 403 I HA 0.294 4.464 4.170 -0.000 0.000 0.295 403 I C -1.173 174.931 176.117 -0.022 0.000 1.161 403 I CA -1.280 60.001 61.300 -0.032 0.000 1.032 403 I CB 1.052 39.028 38.000 -0.040 0.000 1.244 403 I HN 0.269 nan 8.210 nan 0.000 0.421 404 L N 4.718 125.932 121.223 -0.015 0.000 2.462 404 L HA 0.288 4.628 4.340 -0.000 0.000 0.272 404 L C 0.416 177.266 176.870 -0.033 0.000 1.166 404 L CA 0.310 55.141 54.840 -0.014 0.000 0.880 404 L CB 0.983 43.040 42.059 -0.004 0.000 1.142 404 L HN 0.904 nan 8.230 nan 0.000 0.473 405 L N 3.883 125.081 121.223 -0.041 0.000 2.286 405 L HA 0.366 4.706 4.340 -0.000 0.000 0.203 405 L C 0.535 177.371 176.870 -0.056 0.000 1.068 405 L CA 1.207 56.020 54.840 -0.045 0.000 0.811 405 L CB 0.092 42.125 42.059 -0.044 0.000 0.989 405 L HN 0.887 nan 8.230 nan 0.000 0.467 406 S N -1.520 114.137 115.700 -0.073 0.000 2.587 406 S HA 0.479 4.949 4.470 -0.000 0.000 0.269 406 S C -1.066 173.458 174.600 -0.127 0.000 1.154 406 S CA -0.703 57.444 58.200 -0.088 0.000 0.824 406 S CB 1.155 64.301 63.200 -0.090 0.000 1.118 406 S HN 0.164 nan 8.310 nan 0.000 0.462 407 I N 0.431 120.913 120.570 -0.147 0.000 2.582 407 I HA 0.568 4.738 4.170 -0.000 0.000 0.292 407 I C -1.209 174.805 176.117 -0.171 0.000 1.066 407 I CA -0.465 60.698 61.300 -0.228 0.000 1.053 407 I CB 1.954 39.709 38.000 -0.408 0.000 1.241 407 I HN 0.982 nan 8.210 nan 0.000 0.421 408 E N 8.074 128.168 120.200 -0.177 0.000 2.114 408 E HA 0.397 4.747 4.350 -0.000 0.000 0.266 408 E C -1.140 175.396 176.600 -0.106 0.000 0.896 408 E CA -0.694 55.624 56.400 -0.136 0.000 0.750 408 E CB 1.128 30.749 29.700 -0.131 0.000 1.121 408 E HN 0.561 nan 8.360 nan 0.000 0.413 409 I N 7.713 128.268 120.570 -0.026 0.000 2.452 409 I HA 0.173 4.343 4.170 -0.000 0.000 0.287 409 I C -1.779 174.398 176.117 0.100 0.000 1.079 409 I CA -1.818 59.527 61.300 0.075 0.000 1.387 409 I CB 0.574 38.681 38.000 0.178 0.000 1.404 409 I HN 0.378 nan 8.210 nan 0.000 0.522 410 P HA 0.043 nan 4.420 nan 0.000 0.274 410 P C -1.083 176.050 177.300 -0.278 0.000 1.237 410 P CA -0.083 62.948 63.100 -0.114 0.000 0.793 410 P CB 0.652 32.301 31.700 -0.085 0.000 0.977 411 Y N -0.228 119.948 120.300 -0.206 0.000 2.300 411 Y HA 0.193 4.743 4.550 -0.000 0.000 0.328 411 Y C 1.624 177.341 175.900 -0.305 0.000 1.270 411 Y CA 0.127 57.995 58.100 -0.387 0.000 1.352 411 Y CB 0.575 38.905 38.460 -0.217 0.000 1.286 411 Y HN 0.264 nan 8.280 nan 0.000 0.536 412 S N 2.024 117.654 115.700 -0.116 0.000 2.525 412 S HA 0.520 4.990 4.470 -0.000 0.000 0.278 412 S C -0.141 174.413 174.600 -0.075 0.000 1.234 412 S CA -0.711 57.424 58.200 -0.108 0.000 1.058 412 S CB 0.276 63.409 63.200 -0.111 0.000 0.983 412 S HN 0.620 nan 8.310 nan 0.000 0.495 413 R N 1.761 122.214 120.500 -0.078 0.000 2.607 413 R HA 0.377 4.717 4.340 -0.000 0.000 0.261 413 R C -0.280 175.960 176.300 -0.099 0.000 1.051 413 R CA -0.940 55.114 56.100 -0.076 0.000 1.110 413 R CB 0.359 30.621 30.300 -0.063 0.000 1.158 413 R HN 0.570 nan 8.270 nan 0.000 0.543 414 E N 0.592 120.745 120.200 -0.079 0.000 2.415 414 E HA 0.060 4.410 4.350 -0.000 0.000 0.263 414 E C 0.778 177.307 176.600 -0.117 0.000 0.995 414 E CA 0.782 57.139 56.400 -0.072 0.000 0.915 414 E CB 0.791 30.467 29.700 -0.040 0.000 0.951 414 E HN 0.845 nan 8.360 nan 0.000 0.449 415 G N 3.141 111.833 108.800 -0.180 0.000 2.153 415 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.252 415 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.252 415 G C 0.184 174.736 174.900 -0.581 0.000 0.994 415 G CA 0.681 45.617 45.100 -0.274 0.000 0.698 415 G HN 0.486 nan 8.290 nan 0.000 0.521 416 E N -0.153 119.623 120.200 -0.707 0.000 2.165 416 E HA 0.666 5.016 4.350 -0.000 0.000 0.266 416 E C -0.781 175.443 176.600 -0.625 0.000 0.889 416 E CA -1.029 55.041 56.400 -0.551 0.000 0.756 416 E CB 0.870 30.437 29.700 -0.223 0.000 1.131 416 E HN 0.216 nan 8.360 nan 0.000 0.411 417 Y N 2.786 123.122 120.300 0.061 0.000 2.524 417 Y HA 0.586 5.136 4.550 -0.000 0.000 0.344 417 Y C -0.807 175.270 175.900 0.296 0.000 1.012 417 Y CA -1.115 57.050 58.100 0.109 0.000 1.068 417 Y CB 1.390 39.839 38.460 -0.017 0.000 1.249 417 Y HN 0.487 nan 8.280 nan 0.000 0.468 418 F N 0.141 120.266 119.950 0.291 0.000 2.599 418 F HA 0.775 5.302 4.527 -0.000 0.000 0.311 418 F C -0.731 175.168 175.800 0.166 0.000 1.076 418 F CA -0.472 57.653 58.000 0.208 0.000 0.937 418 F CB 2.088 41.124 39.000 0.061 0.000 1.282 418 F HN 0.411 nan 8.300 nan 0.000 0.460 419 S N 1.878 117.344 115.700 -0.389 0.000 2.533 419 S HA 0.856 5.326 4.470 -0.000 0.000 0.271 419 S C -1.511 172.650 174.600 -0.733 0.000 1.143 419 S CA -0.580 57.383 58.200 -0.395 0.000 0.891 419 S CB 1.756 64.860 63.200 -0.159 0.000 1.105 419 S HN 0.863 nan 8.310 nan 0.000 0.468 420 A N 2.268 124.673 122.820 -0.693 0.000 2.355 420 A HA 0.933 5.253 4.320 -0.000 0.000 0.317 420 A C -1.534 175.510 177.584 -0.900 0.000 1.094 420 A CA -0.445 51.254 52.037 -0.564 0.000 0.764 420 A CB 0.552 19.435 19.000 -0.195 0.000 1.230 420 A HN 0.570 nan 8.150 nan 0.000 0.448 421 F N 0.570 120.254 119.950 -0.443 0.000 2.576 421 F HA 0.729 5.256 4.527 -0.000 0.000 0.313 421 F C 0.104 175.547 175.800 -0.597 0.000 1.078 421 F CA -0.489 57.102 58.000 -0.681 0.000 0.921 421 F CB 2.709 40.812 39.000 -1.495 0.000 1.232 421 F HN 0.567 nan 8.300 nan 0.000 0.459 422 K N 2.139 122.423 120.400 -0.194 0.000 2.565 422 K HA 0.489 4.809 4.320 -0.000 0.000 0.251 422 K C -1.970 174.662 176.600 0.053 0.000 0.956 422 K CA -0.681 55.578 56.287 -0.047 0.000 0.809 422 K CB 1.916 34.404 32.500 -0.020 0.000 1.267 422 K HN 0.600 nan 8.250 nan 0.000 0.438 423 Q N 3.052 122.959 119.800 0.179 0.000 2.290 423 Q HA 0.653 4.993 4.340 -0.000 0.000 0.269 423 Q C -1.787 174.244 176.000 0.052 0.000 1.016 423 Q CA -0.300 55.579 55.803 0.126 0.000 0.754 423 Q CB 2.021 30.884 28.738 0.208 0.000 1.247 423 Q HN 0.738 nan 8.270 nan 0.000 0.451 424 A N 1.938 124.761 122.820 0.005 0.000 3.509 424 A HA 0.727 5.047 4.320 -0.000 0.000 0.188 424 A C 0.307 177.921 177.584 0.050 0.000 1.116 424 A CA 0.128 52.173 52.037 0.013 0.000 0.859 424 A CB 0.463 19.440 19.000 -0.038 0.000 1.471 424 A HN 0.660 nan 8.150 nan 0.000 0.606 425 S N -0.993 114.719 115.700 0.020 0.000 2.470 425 S HA 0.202 4.672 4.470 -0.000 0.000 0.222 425 S C 0.862 175.443 174.600 -0.032 0.000 1.024 425 S CA 0.350 58.562 58.200 0.021 0.000 0.931 425 S CB 0.022 63.235 63.200 0.021 0.000 0.791 425 S HN 0.567 nan 8.310 nan 0.000 0.513 426 R N 0.463 120.920 120.500 -0.070 0.000 2.744 426 R HA 0.443 4.783 4.340 -0.000 0.000 0.279 426 R C 0.507 176.699 176.300 -0.180 0.000 0.977 426 R CA -0.699 55.333 56.100 -0.114 0.000 0.906 426 R CB 1.073 31.317 30.300 -0.093 0.000 1.197 426 R HN -0.052 nan 8.270 nan 0.000 0.463 427 R N 0.895 121.223 120.500 -0.287 0.000 2.062 427 R HA -0.082 4.258 4.340 -0.000 0.000 0.231 427 R C -0.171 176.006 176.300 -0.205 0.000 1.136 427 R CA 1.490 57.280 56.100 -0.517 0.000 0.948 427 R CB -0.028 29.746 30.300 -0.876 0.000 0.845 427 R HN 0.557 nan 8.270 nan 0.000 0.430 428 E N 0.792 120.992 120.200 0.001 0.000 2.301 428 E HA 0.041 4.391 4.350 -0.000 0.000 0.275 428 E C -0.685 175.976 176.600 0.101 0.000 1.030 428 E CA -0.269 56.236 56.400 0.176 0.000 0.852 428 E CB 0.827 30.635 29.700 0.180 0.000 1.060 428 E HN 0.030 nan 8.360 nan 0.000 0.401 429 D N 1.739 122.218 120.400 0.132 0.000 2.890 429 D HA -0.214 4.426 4.640 -0.000 0.000 0.226 429 D C -1.302 175.017 176.300 0.031 0.000 1.207 429 D CA 0.963 55.015 54.000 0.086 0.000 0.764 429 D CB -0.569 40.291 40.800 0.100 0.000 0.948 429 D HN 0.380 nan 8.370 nan 0.000 0.404 430 D N 0.141 120.542 120.400 0.001 0.000 2.570 430 D HA 0.442 5.082 4.640 -0.000 0.000 0.244 430 D C -0.202 176.060 176.300 -0.064 0.000 1.178 430 D CA -0.670 53.312 54.000 -0.030 0.000 0.881 430 D CB 1.188 41.965 40.800 -0.038 0.000 1.453 430 D HN 0.158 nan 8.370 nan 0.000 0.447 431 I N 1.480 122.015 120.570 -0.060 0.000 2.441 431 I HA 0.389 4.559 4.170 -0.000 0.000 0.287 431 I C 0.779 176.856 176.117 -0.067 0.000 1.049 431 I CA -0.668 60.585 61.300 -0.079 0.000 1.381 431 I CB 1.245 39.208 38.000 -0.062 0.000 1.409 431 I HN 0.372 nan 8.210 nan 0.000 0.523 432 A N 7.018 129.790 122.820 -0.079 0.000 2.462 432 A HA 0.194 4.514 4.320 -0.000 0.000 0.243 432 A C 1.045 178.600 177.584 -0.049 0.000 1.076 432 A CA -0.203 51.804 52.037 -0.051 0.000 0.773 432 A CB 0.478 19.450 19.000 -0.046 0.000 1.010 432 A HN 0.741 nan 8.150 nan 0.000 0.493 433 K N 0.679 121.059 120.400 -0.034 0.000 2.099 433 K HA 0.182 4.502 4.320 -0.000 0.000 0.203 433 K C -0.205 176.341 176.600 -0.090 0.000 1.047 433 K CA 1.148 57.391 56.287 -0.073 0.000 0.963 433 K CB 0.171 32.632 32.500 -0.066 0.000 0.759 433 K HN 0.498 nan 8.250 nan 0.000 0.451 434 V N 1.171 121.071 119.914 -0.024 0.000 2.610 434 V HA 0.180 4.300 4.120 -0.000 0.000 0.298 434 V C -0.558 175.720 176.094 0.305 0.000 1.067 434 V CA -0.795 61.564 62.300 0.098 0.000 0.894 434 V CB 1.877 33.695 31.823 -0.007 0.000 1.015 434 V HN 0.130 nan 8.190 nan 0.000 0.432 435 T N 2.802 117.470 114.554 0.190 0.000 2.932 435 T HA 0.836 5.186 4.350 -0.000 0.000 0.289 435 T C -0.675 174.029 174.700 0.008 0.000 1.039 435 T CA -0.157 61.979 62.100 0.060 0.000 1.024 435 T CB 1.892 70.749 68.868 -0.019 0.000 1.090 435 T HN 0.864 nan 8.240 nan 0.000 0.496 436 S N 0.668 116.263 115.700 -0.175 0.000 2.588 436 S HA 0.767 5.237 4.470 -0.000 0.000 0.269 436 S C -1.017 173.387 174.600 -0.326 0.000 1.157 436 S CA -0.260 57.761 58.200 -0.297 0.000 0.824 436 S CB 1.405 64.346 63.200 -0.431 0.000 1.126 436 S HN 1.194 nan 8.310 nan 0.000 0.464 437 G N 1.910 110.472 108.800 -0.395 0.000 2.666 437 G HA2 0.665 4.624 3.960 -0.000 0.000 0.303 437 G HA3 0.665 4.624 3.960 -0.000 0.000 0.303 437 G C -1.371 173.142 174.900 -0.644 0.000 1.412 437 G CA -0.521 44.312 45.100 -0.446 0.000 0.979 437 G HN 0.605 nan 8.290 nan 0.000 0.507 438 M N 1.992 120.953 119.600 -1.064 0.000 2.327 438 M HA 0.541 5.021 4.480 -0.000 0.000 0.298 438 M C -0.384 175.211 176.300 -1.174 0.000 1.065 438 M CA -0.734 53.906 55.300 -1.100 0.000 0.916 438 M CB 3.393 35.083 32.600 -1.517 0.000 1.630 438 M HN 0.480 nan 8.290 nan 0.000 0.442 439 R N 1.591 121.822 120.500 -0.448 0.000 2.744 439 R HA 0.871 5.211 4.340 -0.000 0.000 0.279 439 R C -2.126 174.318 176.300 0.240 0.000 0.977 439 R CA -0.724 55.406 56.100 0.049 0.000 0.906 439 R CB 2.737 33.190 30.300 0.255 0.000 1.197 439 R HN 0.607 nan 8.270 nan 0.000 0.463 440 V N 5.524 125.566 119.914 0.214 0.000 2.668 440 V HA 0.473 4.593 4.120 -0.000 0.000 0.304 440 V C -1.811 174.082 176.094 -0.336 0.000 1.071 440 V CA -0.791 61.452 62.300 -0.095 0.000 0.894 440 V CB 1.839 33.436 31.823 -0.378 0.000 1.008 440 V HN 0.681 nan 8.190 nan 0.000 0.425 441 L N 7.392 128.415 121.223 -0.333 0.000 2.313 441 L HA 0.758 5.098 4.340 -0.000 0.000 0.283 441 L C -1.259 175.404 176.870 -0.345 0.000 1.013 441 L CA 0.129 54.797 54.840 -0.288 0.000 0.816 441 L CB 1.415 43.401 42.059 -0.121 0.000 1.236 441 L HN 0.551 nan 8.230 nan 0.000 0.419 442 F N 3.093 122.975 119.950 -0.113 0.000 2.432 442 F HA 0.514 5.041 4.527 -0.000 0.000 0.329 442 F C 0.558 176.337 175.800 -0.035 0.000 1.076 442 F CA -0.604 57.363 58.000 -0.055 0.000 1.018 442 F CB 1.159 40.116 39.000 -0.073 0.000 1.201 442 F HN 0.337 nan 8.300 nan 0.000 0.489 443 K N 2.711 123.248 120.400 0.228 0.000 2.350 443 K HA 0.192 4.512 4.320 -0.000 0.000 0.279 443 K C -2.453 174.205 176.600 0.098 0.000 1.027 443 K CA -1.512 54.849 56.287 0.123 0.000 0.969 443 K CB -0.006 32.561 32.500 0.112 0.000 0.954 443 K HN 0.209 nan 8.250 nan 0.000 0.474 444 P HA -0.172 nan 4.420 nan 0.000 0.255 444 P C 0.468 177.781 177.300 0.021 0.000 1.151 444 P CA 1.281 64.399 63.100 0.030 0.000 0.767 444 P CB 0.111 31.822 31.700 0.019 0.000 0.736 445 G N 1.874 110.679 108.800 0.007 0.000 2.179 445 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.257 445 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.257 445 G C 0.304 175.190 174.900 -0.022 0.000 1.010 445 G CA 0.482 45.577 45.100 -0.009 0.000 0.736 445 G HN 0.847 nan 8.290 nan 0.000 0.513 446 T N -4.627 109.910 114.554 -0.028 0.000 2.716 446 T HA 0.728 5.078 4.350 -0.000 0.000 0.286 446 T C 0.736 175.326 174.700 -0.184 0.000 1.052 446 T CA 0.766 62.838 62.100 -0.047 0.000 1.024 446 T CB 1.723 70.607 68.868 0.027 0.000 1.349 446 T HN 0.996 nan 8.240 nan 0.000 0.525 447 T N -2.253 112.200 114.554 -0.167 0.000 3.228 447 T HA 0.355 4.705 4.350 -0.000 0.000 0.278 447 T C 0.043 174.807 174.700 0.107 0.000 1.014 447 T CA -0.444 61.432 62.100 -0.374 0.000 0.904 447 T CB -0.286 68.460 68.868 -0.204 0.000 1.110 447 T HN 0.749 nan 8.240 nan 0.000 0.541 448 E N 1.873 122.232 120.200 0.265 0.000 2.115 448 E HA 0.393 4.743 4.350 -0.000 0.000 0.282 448 E C -0.511 176.397 176.600 0.512 0.000 0.987 448 E CA -0.640 55.977 56.400 0.362 0.000 0.797 448 E CB 1.188 31.013 29.700 0.207 0.000 1.086 448 E HN 0.135 nan 8.360 nan 0.000 0.397 449 V N 5.364 125.569 119.914 0.485 0.000 2.509 449 V HA -0.135 3.985 4.120 -0.000 0.000 0.297 449 V C 1.312 177.484 176.094 0.130 0.000 1.014 449 V CA 0.837 63.272 62.300 0.224 0.000 1.127 449 V CB 0.868 32.847 31.823 0.260 0.000 0.925 449 V HN 0.857 nan 8.190 nan 0.000 0.480 450 Q N 4.003 123.827 119.800 0.041 0.000 2.304 450 Q HA 0.154 4.494 4.340 -0.000 0.000 0.204 450 Q C 0.322 176.336 176.000 0.023 0.000 0.936 450 Q CA 0.666 56.496 55.803 0.044 0.000 0.878 450 Q CB 0.623 29.383 28.738 0.037 0.000 0.983 450 Q HN 0.875 nan 8.270 nan 0.000 0.516 451 E N 0.096 120.286 120.200 -0.017 0.000 2.356 451 E HA 0.502 4.852 4.350 -0.000 0.000 0.275 451 E C -1.946 174.663 176.600 0.015 0.000 0.904 451 E CA -0.752 55.654 56.400 0.009 0.000 0.757 451 E CB 2.495 32.200 29.700 0.007 0.000 1.232 451 E HN 0.065 nan 8.360 nan 0.000 0.442 452 L N 1.385 122.652 121.223 0.072 0.000 2.562 452 L HA 0.680 5.020 4.340 -0.000 0.000 0.266 452 L C -1.980 174.959 176.870 0.115 0.000 0.949 452 L CA -0.208 54.715 54.840 0.138 0.000 0.879 452 L CB 1.838 44.027 42.059 0.217 0.000 1.278 452 L HN 0.670 nan 8.230 nan 0.000 0.404 453 A N 6.112 128.992 122.820 0.101 0.000 2.335 453 A HA 0.813 5.133 4.320 -0.000 0.000 0.304 453 A C -1.573 175.999 177.584 -0.020 0.000 1.118 453 A CA -0.372 51.699 52.037 0.055 0.000 0.757 453 A CB 0.949 19.990 19.000 0.068 0.000 1.188 453 A HN 0.633 nan 8.150 nan 0.000 0.460 454 L N 2.625 123.843 121.223 -0.008 0.000 2.353 454 L HA 0.388 4.728 4.340 -0.000 0.000 0.270 454 L C -0.933 175.881 176.870 -0.094 0.000 1.003 454 L CA -0.425 54.358 54.840 -0.094 0.000 0.862 454 L CB 1.244 43.338 42.059 0.059 0.000 1.221 454 L HN 0.680 nan 8.230 nan 0.000 0.430 455 C N 2.281 121.431 119.300 -0.250 0.000 2.382 455 C HA 0.699 5.159 4.460 -0.000 0.000 0.327 455 C C -0.300 174.496 174.990 -0.323 0.000 1.250 455 C CA -0.787 58.151 59.018 -0.133 0.000 1.707 455 C CB 0.715 28.437 27.740 -0.030 0.000 2.272 455 C HN 0.510 nan 8.230 nan 0.000 0.506 456 Y N 0.298 120.598 120.300 -0.001 0.000 2.536 456 Y HA 0.701 5.251 4.550 -0.000 0.000 0.347 456 Y C 0.605 176.485 175.900 -0.033 0.000 1.000 456 Y CA -0.320 57.776 58.100 -0.006 0.000 1.051 456 Y CB 1.878 40.339 38.460 0.002 0.000 1.259 456 Y HN 0.846 nan 8.280 nan 0.000 0.468 457 G N -0.807 108.073 108.800 0.133 0.000 2.519 457 G HA2 0.479 4.439 3.960 -0.000 0.000 0.307 457 G HA3 0.479 4.439 3.960 -0.000 0.000 0.307 457 G C 0.371 175.290 174.900 0.032 0.000 1.266 457 G CA -0.545 44.571 45.100 0.027 0.000 0.970 457 G HN 1.276 nan 8.290 nan 0.000 0.481 458 G N 0.328 109.115 108.800 -0.022 0.000 2.159 458 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.256 458 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.256 458 G C 0.955 175.808 174.900 -0.079 0.000 0.977 458 G CA 0.878 45.944 45.100 -0.057 0.000 0.652 458 G HN 0.542 nan 8.290 nan 0.000 0.531 459 M N -0.424 119.142 119.600 -0.056 0.000 2.308 459 M HA 0.633 5.113 4.480 -0.000 0.000 0.269 459 M C 0.983 177.237 176.300 -0.076 0.000 1.040 459 M CA 0.921 56.164 55.300 -0.094 0.000 1.024 459 M CB 0.285 32.815 32.600 -0.117 0.000 1.465 459 M HN 1.020 nan 8.290 nan 0.000 0.517 460 A N 0.933 123.728 122.820 -0.041 0.000 2.524 460 A HA 0.512 4.832 4.320 -0.000 0.000 0.303 460 A C 0.018 177.613 177.584 0.018 0.000 1.195 460 A CA -0.276 51.751 52.037 -0.016 0.000 0.651 460 A CB 0.137 19.142 19.000 0.009 0.000 1.323 460 A HN 0.358 nan 8.150 nan 0.000 0.479 461 N N -0.078 118.658 118.700 0.061 0.000 2.521 461 N HA 0.102 4.842 4.740 -0.000 0.000 0.188 461 N C 0.386 176.012 175.510 0.193 0.000 1.146 461 N CA 0.803 53.958 53.050 0.175 0.000 0.893 461 N CB 0.074 38.663 38.487 0.170 0.000 0.975 461 N HN 0.703 nan 8.380 nan 0.000 0.451 462 R N -2.263 118.280 120.500 0.071 0.000 2.741 462 R HA 0.281 4.621 4.340 -0.000 0.000 0.274 462 R C -1.535 174.722 176.300 -0.072 0.000 1.029 462 R CA -0.698 55.391 56.100 -0.017 0.000 0.880 462 R CB -0.093 30.243 30.300 0.061 0.000 1.264 462 R HN -0.141 nan 8.270 nan 0.000 0.465 463 T N 2.517 116.927 114.554 -0.241 0.000 2.888 463 T HA 0.371 4.721 4.350 -0.000 0.000 0.301 463 T C 0.602 175.315 174.700 0.023 0.000 1.001 463 T CA -0.057 61.934 62.100 -0.182 0.000 1.147 463 T CB -0.155 68.461 68.868 -0.420 0.000 0.931 463 T HN 0.429 nan 8.240 nan 0.000 0.541 464 I N -0.958 119.665 120.570 0.088 0.000 3.145 464 I HA 0.852 5.022 4.170 -0.000 0.000 0.313 464 I C -0.491 175.728 176.117 0.169 0.000 1.122 464 I CA -1.076 60.312 61.300 0.147 0.000 0.987 464 I CB 2.493 40.561 38.000 0.114 0.000 1.236 464 I HN 0.501 nan 8.210 nan 0.000 0.453 465 S N 1.981 117.774 115.700 0.155 0.000 2.502 465 S HA 0.715 5.185 4.470 -0.000 0.000 0.304 465 S C -0.018 174.631 174.600 0.080 0.000 1.097 465 S CA -0.422 57.853 58.200 0.124 0.000 1.045 465 S CB 1.574 64.837 63.200 0.105 0.000 1.019 465 S HN 0.947 nan 8.310 nan 0.000 0.481 466 A N 6.041 128.928 122.820 0.113 0.000 3.029 466 A HA 0.318 4.638 4.320 -0.000 0.000 0.251 466 A C 1.281 178.869 177.584 0.007 0.000 1.749 466 A CA -0.245 51.827 52.037 0.058 0.000 1.386 466 A CB -0.999 18.057 19.000 0.093 0.000 1.043 466 A HN 0.944 nan 8.150 nan 0.000 0.638 467 L N -0.218 120.986 121.223 -0.032 0.000 2.079 467 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 467 L C 2.692 179.536 176.870 -0.043 0.000 1.081 467 L CA 1.526 56.331 54.840 -0.058 0.000 0.752 467 L CB -0.348 41.621 42.059 -0.151 0.000 0.896 467 L HN 0.603 nan 8.230 nan 0.000 0.433 468 K N -0.236 120.138 120.400 -0.044 0.000 2.097 468 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 468 K C 1.966 178.546 176.600 -0.034 0.000 1.049 468 K CA 1.885 58.151 56.287 -0.035 0.000 0.933 468 K CB -0.013 32.467 32.500 -0.034 0.000 0.717 468 K HN 0.284 nan 8.250 nan 0.000 0.442 469 T N 0.070 114.600 114.554 -0.041 0.000 2.770 469 T HA -0.099 4.251 4.350 -0.000 0.000 0.258 469 T C 1.897 176.569 174.700 -0.046 0.000 1.039 469 T CA 1.934 63.999 62.100 -0.058 0.000 1.143 469 T CB -0.400 68.414 68.868 -0.089 0.000 0.866 469 T HN 0.540 nan 8.240 nan 0.000 0.428 470 T N 0.966 115.506 114.554 -0.024 0.000 2.833 470 T HA -0.128 4.221 4.350 -0.000 0.000 0.269 470 T C 1.933 176.649 174.700 0.028 0.000 1.054 470 T CA 0.792 62.899 62.100 0.013 0.000 1.135 470 T CB -0.348 68.546 68.868 0.043 0.000 0.869 470 T HN 0.110 nan 8.240 nan 0.000 0.466 471 Q N 0.859 120.667 119.800 0.013 0.000 2.226 471 Q HA 0.039 4.379 4.340 -0.000 0.000 0.204 471 Q C 2.327 178.340 176.000 0.022 0.000 0.975 471 Q CA 0.998 56.812 55.803 0.019 0.000 0.866 471 Q CB -0.417 28.325 28.738 0.006 0.000 0.915 471 Q HN 0.599 nan 8.270 nan 0.000 0.440 472 R N 0.336 120.842 120.500 0.009 0.000 2.316 472 R HA -0.056 4.284 4.340 -0.000 0.000 0.202 472 R C 0.970 177.283 176.300 0.022 0.000 1.029 472 R CA 0.546 56.650 56.100 0.007 0.000 1.018 472 R CB 0.419 30.711 30.300 -0.013 0.000 0.888 472 R HN 0.180 nan 8.270 nan 0.000 0.471 473 Q N -0.093 119.731 119.800 0.041 0.000 2.247 473 Q HA 0.150 4.490 4.340 -0.000 0.000 0.211 473 Q C 0.227 176.293 176.000 0.111 0.000 0.861 473 Q CA -0.001 55.846 55.803 0.075 0.000 0.949 473 Q CB 0.639 29.433 28.738 0.092 0.000 1.115 473 Q HN 0.285 nan 8.270 nan 0.000 0.507 474 L N 2.439 123.716 121.223 0.089 0.000 2.514 474 L HA -0.060 4.280 4.340 -0.000 0.000 0.280 474 L C 0.740 177.671 176.870 0.103 0.000 1.223 474 L CA 0.518 55.415 54.840 0.094 0.000 0.864 474 L CB -0.093 42.007 42.059 0.069 0.000 1.118 474 L HN 0.332 nan 8.230 nan 0.000 0.494 475 S N 0.553 116.326 115.700 0.121 0.000 3.614 475 S HA -0.243 4.227 4.470 -0.000 0.000 0.360 475 S C -0.256 174.426 174.600 0.136 0.000 1.023 475 S CA 1.229 59.505 58.200 0.126 0.000 1.114 475 S CB -1.371 61.884 63.200 0.091 0.000 0.907 475 S HN 0.841 nan 8.310 nan 0.000 0.470 476 K N -0.358 120.147 120.400 0.176 0.000 2.340 476 K HA 0.712 5.032 4.320 -0.000 0.000 0.244 476 K C -0.416 176.338 176.600 0.256 0.000 0.973 476 K CA -1.283 55.108 56.287 0.173 0.000 0.828 476 K CB 0.711 33.297 32.500 0.142 0.000 1.226 476 K HN 0.121 nan 8.250 nan 0.000 0.437 477 L N 2.316 123.674 121.223 0.226 0.000 2.395 477 L HA 0.177 4.517 4.340 -0.000 0.000 0.269 477 L C -0.103 176.989 176.870 0.370 0.000 1.133 477 L CA 0.033 55.044 54.840 0.284 0.000 0.812 477 L CB 0.583 42.753 42.059 0.185 0.000 1.125 477 L HN 0.665 nan 8.230 nan 0.000 0.452 478 W N 5.723 127.178 121.300 0.258 0.000 1.564 478 W HA 0.073 4.733 4.660 -0.000 0.000 0.480 478 W C -0.382 176.314 176.519 0.294 0.000 0.699 478 W CA -0.329 57.210 57.345 0.324 0.000 1.985 478 W CB -0.000 29.644 29.460 0.307 0.000 1.738 478 W HN 0.457 nan 8.180 nan 0.000 0.218 479 K N 0.987 121.517 120.400 0.217 0.000 2.346 479 K HA 0.162 4.482 4.320 -0.000 0.000 0.238 479 K C 1.007 177.687 176.600 0.133 0.000 1.039 479 K CA -0.576 55.831 56.287 0.201 0.000 0.861 479 K CB 0.846 33.427 32.500 0.135 0.000 1.278 479 K HN -0.010 nan 8.250 nan 0.000 0.460 480 E N 1.386 121.665 120.200 0.132 0.000 2.114 480 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 480 E C 1.420 177.972 176.600 -0.080 0.000 1.008 480 E CA 1.806 58.211 56.400 0.009 0.000 0.810 480 E CB -0.169 29.567 29.700 0.061 0.000 0.739 480 E HN 0.563 nan 8.360 nan 0.000 0.456 481 E N 0.472 120.656 120.200 -0.026 0.000 2.070 481 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 481 E C 2.180 178.740 176.600 -0.067 0.000 1.004 481 E CA 1.167 57.547 56.400 -0.034 0.000 0.805 481 E CB -0.310 29.390 29.700 0.000 0.000 0.744 481 E HN 0.262 nan 8.360 nan 0.000 0.451 482 L N 0.925 122.103 121.223 -0.076 0.000 2.083 482 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 482 L C 2.356 179.132 176.870 -0.158 0.000 1.083 482 L CA 0.840 55.616 54.840 -0.106 0.000 0.752 482 L CB -0.126 41.859 42.059 -0.125 0.000 0.899 482 L HN 0.156 nan 8.230 nan 0.000 0.433 483 L N -0.110 120.945 121.223 -0.279 0.000 2.012 483 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 483 L C 2.480 179.290 176.870 -0.100 0.000 1.073 483 L CA 1.889 56.574 54.840 -0.260 0.000 0.748 483 L CB -0.677 40.957 42.059 -0.707 0.000 0.891 483 L HN 0.397 nan 8.230 nan 0.000 0.431 484 Q N -0.809 118.917 119.800 -0.124 0.000 2.050 484 Q HA -0.261 4.079 4.340 -0.000 0.000 0.202 484 Q C 2.005 177.952 176.000 -0.088 0.000 0.980 484 Q CA 2.025 57.771 55.803 -0.095 0.000 0.840 484 Q CB -0.304 28.383 28.738 -0.085 0.000 0.898 484 Q HN 0.625 nan 8.270 nan 0.000 0.424 485 D N -0.252 120.093 120.400 -0.091 0.000 2.144 485 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 485 D C 1.806 178.026 176.300 -0.133 0.000 0.978 485 D CA 0.678 54.623 54.000 -0.092 0.000 0.833 485 D CB 0.255 41.013 40.800 -0.071 0.000 0.961 485 D HN -0.029 nan 8.370 nan 0.000 0.470 486 V N -0.223 119.569 119.914 -0.202 0.000 2.261 486 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 486 V C 2.630 178.555 176.094 -0.282 0.000 1.047 486 V CA 1.429 63.507 62.300 -0.370 0.000 1.015 486 V CB -0.482 30.809 31.823 -0.888 0.000 0.642 486 V HN 0.477 nan 8.190 nan 0.000 0.446 487 C N 0.138 119.342 119.300 -0.160 0.000 2.413 487 C HA -0.168 4.292 4.460 -0.000 0.000 0.277 487 C C 3.118 178.070 174.990 -0.063 0.000 1.228 487 C CA 1.073 60.063 59.018 -0.046 0.000 1.731 487 C CB -1.374 26.407 27.740 0.068 0.000 2.042 487 C HN 0.650 nan 8.230 nan 0.000 0.468 488 A N 0.539 123.316 122.820 -0.072 0.000 1.877 488 A HA 0.032 4.351 4.320 -0.000 0.000 0.216 488 A C 2.413 179.951 177.584 -0.077 0.000 1.186 488 A CA 2.209 54.205 52.037 -0.068 0.000 0.620 488 A CB -1.344 17.615 19.000 -0.068 0.000 0.822 488 A HN 0.584 nan 8.150 nan 0.000 0.443 489 G N -0.208 108.537 108.800 -0.092 0.000 2.440 489 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 489 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 489 G C 1.574 176.417 174.900 -0.095 0.000 1.154 489 G CA 1.087 46.133 45.100 -0.090 0.000 0.767 489 G HN 0.432 nan 8.290 nan 0.000 0.552 490 L N 0.618 121.769 121.223 -0.120 0.000 2.017 490 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 490 L C 3.453 180.252 176.870 -0.117 0.000 1.073 490 L CA 1.051 55.810 54.840 -0.134 0.000 0.745 490 L CB -0.453 41.515 42.059 -0.152 0.000 0.894 490 L HN 0.315 nan 8.230 nan 0.000 0.432 491 A N -0.482 122.287 122.820 -0.084 0.000 1.908 491 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 491 A C 2.336 179.910 177.584 -0.016 0.000 1.181 491 A CA 2.041 54.049 52.037 -0.049 0.000 0.627 491 A CB -0.478 18.502 19.000 -0.033 0.000 0.818 491 A HN 0.451 nan 8.150 nan 0.000 0.445 492 E N -0.094 120.081 120.200 -0.042 0.000 2.033 492 E HA -0.178 4.172 4.350 -0.000 0.000 0.189 492 E C 1.991 178.582 176.600 -0.016 0.000 0.979 492 E CA 1.377 57.752 56.400 -0.040 0.000 0.802 492 E CB -0.370 29.292 29.700 -0.063 0.000 0.763 492 E HN 0.726 nan 8.360 nan 0.000 0.449 493 E N 0.144 120.319 120.200 -0.041 0.000 2.118 493 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 493 E C 1.839 178.412 176.600 -0.044 0.000 0.992 493 E CA 0.951 57.327 56.400 -0.041 0.000 0.804 493 E CB 0.050 29.717 29.700 -0.056 0.000 0.741 493 E HN 0.266 nan 8.360 nan 0.000 0.458 494 L N 0.609 121.785 121.223 -0.080 0.000 2.700 494 L HA 0.145 4.485 4.340 -0.000 0.000 0.234 494 L C 0.971 177.787 176.870 -0.090 0.000 1.156 494 L CA -0.433 54.334 54.840 -0.122 0.000 0.946 494 L CB -0.235 41.669 42.059 -0.259 0.000 1.216 494 L HN 0.208 nan 8.230 nan 0.000 0.493 495 H N 2.231 121.236 119.070 -0.108 0.000 3.115 495 H HA 0.078 4.634 4.556 -0.000 0.000 0.324 495 H C -0.667 174.615 175.328 -0.078 0.000 1.007 495 H CA 0.571 56.566 56.048 -0.088 0.000 1.385 495 H CB 0.729 30.451 29.762 -0.066 0.000 1.351 495 H HN 0.142 nan 8.280 nan 0.000 0.592 496 L N 7.782 128.592 121.223 -0.688 0.000 2.325 496 L HA 0.338 4.678 4.340 -0.000 0.000 0.278 496 L C -1.961 174.612 176.870 -0.496 0.000 1.023 496 L CA -2.087 52.486 54.840 -0.445 0.000 0.811 496 L CB 1.994 43.870 42.059 -0.304 0.000 1.249 496 L HN 0.578 nan 8.230 nan 0.000 0.431 497 P HA 0.185 nan 4.420 nan 0.000 0.275 497 P C -2.389 174.865 177.300 -0.077 0.000 1.227 497 P CA -1.582 61.465 63.100 -0.088 0.000 0.781 497 P CB 0.624 32.309 31.700 -0.025 0.000 0.906 498 P HA -0.186 nan 4.420 nan 0.000 0.218 498 P C 0.700 178.013 177.300 0.021 0.000 1.146 498 P CA 1.613 64.714 63.100 0.001 0.000 0.813 498 P CB -0.150 31.568 31.700 0.029 0.000 0.778 499 D N -1.683 118.731 120.400 0.023 0.000 2.342 499 D HA 0.134 4.774 4.640 -0.000 0.000 0.221 499 D C 0.355 176.679 176.300 0.039 0.000 1.101 499 D CA -0.423 53.608 54.000 0.052 0.000 0.837 499 D CB -0.889 39.940 40.800 0.050 0.000 0.938 499 D HN -0.012 nan 8.370 nan 0.000 0.508 500 A N 1.373 124.183 122.820 -0.016 0.000 2.546 500 A HA 0.317 4.637 4.320 -0.000 0.000 0.243 500 A C -2.170 175.349 177.584 -0.110 0.000 1.063 500 A CA -0.794 51.201 52.037 -0.070 0.000 0.757 500 A CB -0.295 18.635 19.000 -0.118 0.000 0.991 500 A HN 0.079 nan 8.150 nan 0.000 0.503 501 P HA 0.248 nan 4.420 nan 0.000 0.264 501 P C 1.118 177.966 177.300 -0.754 0.000 1.183 501 P CA 1.827 64.687 63.100 -0.400 0.000 0.763 501 P CB 0.644 32.179 31.700 -0.274 0.000 0.807 502 G N 2.032 109.826 108.800 -1.676 0.000 2.225 502 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.254 502 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.254 502 G C 0.747 175.191 174.900 -0.760 0.000 0.988 502 G CA 0.297 44.441 45.100 -1.593 0.000 0.625 502 G HN 0.974 nan 8.290 nan 0.000 0.527 503 G N -0.018 108.588 108.800 -0.323 0.000 2.578 503 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.284 503 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.284 503 G C 0.870 175.740 174.900 -0.051 0.000 1.283 503 G CA 1.102 46.184 45.100 -0.031 0.000 0.944 503 G HN 1.772 nan 8.290 nan 0.000 0.558 504 M N -1.114 118.515 119.600 0.049 0.000 2.333 504 M HA -0.285 4.195 4.480 -0.000 0.000 0.199 504 M C 1.786 178.121 176.300 0.058 0.000 0.376 504 M CA 1.019 56.382 55.300 0.104 0.000 0.440 504 M CB -2.143 30.564 32.600 0.179 0.000 1.506 504 M HN 1.685 nan 8.290 nan 0.000 0.889 505 V N -2.444 117.468 119.914 -0.004 0.000 2.252 505 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 505 V C 1.912 177.974 176.094 -0.053 0.000 1.056 505 V CA 2.301 64.559 62.300 -0.070 0.000 1.022 505 V CB -0.488 31.276 31.823 -0.099 0.000 0.641 505 V HN 0.505 nan 8.190 nan 0.000 0.445 506 D N -0.023 120.382 120.400 0.008 0.000 2.103 506 D HA -0.196 4.444 4.640 -0.000 0.000 0.190 506 D C 1.952 178.287 176.300 0.058 0.000 0.997 506 D CA 2.069 56.087 54.000 0.030 0.000 0.833 506 D CB -0.489 40.349 40.800 0.063 0.000 0.961 506 D HN 0.539 nan 8.370 nan 0.000 0.447 507 F N 2.279 122.191 119.950 -0.063 0.000 2.091 507 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 507 F C 2.397 178.121 175.800 -0.126 0.000 1.103 507 F CA 1.547 59.501 58.000 -0.078 0.000 1.228 507 F CB -0.314 38.654 39.000 -0.052 0.000 0.984 507 F HN -0.173 nan 8.300 nan 0.000 0.477 508 R N -0.765 119.556 120.500 -0.298 0.000 2.073 508 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 508 R C 2.374 178.450 176.300 -0.374 0.000 1.134 508 R CA 1.763 57.601 56.100 -0.435 0.000 0.952 508 R CB -1.188 28.945 30.300 -0.277 0.000 0.850 508 R HN 0.363 nan 8.270 nan 0.000 0.433 509 C N -0.246 118.900 119.300 -0.256 0.000 2.432 509 C HA -0.078 4.382 4.460 -0.000 0.000 0.277 509 C C 2.693 177.541 174.990 -0.237 0.000 1.249 509 C CA 1.057 59.936 59.018 -0.230 0.000 1.725 509 C CB -0.847 26.806 27.740 -0.145 0.000 2.028 509 C HN 0.543 nan 8.230 nan 0.000 0.477 510 T N 1.553 115.992 114.554 -0.192 0.000 2.803 510 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 510 T C 1.660 176.152 174.700 -0.346 0.000 1.052 510 T CA 1.177 63.174 62.100 -0.172 0.000 1.136 510 T CB -0.292 68.545 68.868 -0.052 0.000 0.864 510 T HN 0.486 nan 8.240 nan 0.000 0.467 511 L N 1.184 122.091 121.223 -0.527 0.000 2.056 511 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 511 L C 3.127 179.498 176.870 -0.832 0.000 1.078 511 L CA 1.673 56.001 54.840 -0.853 0.000 0.749 511 L CB -1.203 40.237 42.059 -1.033 0.000 0.901 511 L HN 0.446 nan 8.230 nan 0.000 0.433 512 T N -1.591 112.674 114.554 -0.482 0.000 2.759 512 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 512 T C 1.808 176.461 174.700 -0.079 0.000 1.042 512 T CA 1.210 63.174 62.100 -0.226 0.000 1.140 512 T CB -0.539 67.968 68.868 -0.602 0.000 0.864 512 T HN 0.219 nan 8.240 nan 0.000 0.455 513 L N 0.808 121.916 121.223 -0.193 0.000 2.044 513 L HA 0.004 4.344 4.340 -0.000 0.000 0.205 513 L C 3.166 179.851 176.870 -0.307 0.000 1.075 513 L CA 1.361 56.127 54.840 -0.124 0.000 0.747 513 L CB -1.035 40.974 42.059 -0.082 0.000 0.903 513 L HN 0.312 nan 8.230 nan 0.000 0.435 514 S N 0.178 115.549 115.700 -0.548 0.000 2.383 514 S HA -0.136 4.334 4.470 -0.000 0.000 0.229 514 S C 1.838 176.212 174.600 -0.377 0.000 1.030 514 S CA 1.296 59.103 58.200 -0.654 0.000 1.002 514 S CB -0.312 62.545 63.200 -0.572 0.000 0.829 514 S HN 0.195 nan 8.310 nan 0.000 0.467 515 F N 0.820 120.529 119.950 -0.401 0.000 2.113 515 F HA 0.049 4.575 4.527 -0.000 0.000 0.297 515 F C 1.990 177.491 175.800 -0.498 0.000 1.103 515 F CA -0.144 57.424 58.000 -0.719 0.000 1.248 515 F CB -1.307 37.374 39.000 -0.532 0.000 0.999 515 F HN 0.206 nan 8.300 nan 0.000 0.475 516 F N -0.158 119.795 119.950 0.004 0.000 2.134 516 F HA -0.249 4.278 4.527 -0.000 0.000 0.299 516 F C 2.412 178.349 175.800 0.228 0.000 1.097 516 F CA 1.090 59.193 58.000 0.172 0.000 1.264 516 F CB -0.855 38.259 39.000 0.189 0.000 1.001 516 F HN -0.040 nan 8.300 nan 0.000 0.479 517 F N 1.651 121.465 119.950 -0.227 0.000 2.091 517 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 517 F C 2.264 177.945 175.800 -0.198 0.000 1.103 517 F CA 1.986 59.811 58.000 -0.292 0.000 1.228 517 F CB -0.830 37.810 39.000 -0.599 0.000 0.984 517 F HN -0.080 nan 8.300 nan 0.000 0.477 518 K N -0.976 119.227 120.400 -0.328 0.000 2.057 518 K HA -0.217 4.103 4.320 -0.000 0.000 0.207 518 K C 2.147 178.749 176.600 0.004 0.000 1.049 518 K CA 1.707 57.839 56.287 -0.259 0.000 0.931 518 K CB -0.756 31.643 32.500 -0.168 0.000 0.714 518 K HN 0.312 nan 8.250 nan 0.000 0.440 519 F N 1.061 120.967 119.950 -0.072 0.000 2.102 519 F HA -0.273 4.254 4.527 -0.000 0.000 0.298 519 F C 2.228 178.041 175.800 0.020 0.000 1.105 519 F CA 1.305 59.346 58.000 0.069 0.000 1.239 519 F CB -0.727 38.330 39.000 0.095 0.000 0.991 519 F HN 0.058 nan 8.300 nan 0.000 0.474 520 Y N 0.742 120.858 120.300 -0.307 0.000 2.097 520 Y HA -0.245 4.304 4.550 -0.000 0.000 0.282 520 Y C 2.124 178.029 175.900 0.008 0.000 1.152 520 Y CA 2.281 60.292 58.100 -0.148 0.000 1.136 520 Y CB -0.739 37.466 38.460 -0.424 0.000 0.975 520 Y HN 0.115 nan 8.280 nan 0.000 0.498 521 L N -0.854 120.219 121.223 -0.250 0.000 2.046 521 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 521 L C 2.346 179.077 176.870 -0.232 0.000 1.077 521 L CA 1.829 56.495 54.840 -0.291 0.000 0.747 521 L CB -1.100 40.763 42.059 -0.326 0.000 0.896 521 L HN 0.228 nan 8.230 nan 0.000 0.432 522 T N -0.410 114.033 114.554 -0.183 0.000 2.746 522 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 522 T C 1.981 176.513 174.700 -0.280 0.000 1.039 522 T CA 1.267 63.271 62.100 -0.159 0.000 1.142 522 T CB -0.202 68.637 68.868 -0.048 0.000 0.866 522 T HN 0.071 nan 8.240 nan 0.000 0.444 523 V N 1.380 121.062 119.914 -0.388 0.000 2.626 523 V HA -0.056 4.064 4.120 -0.000 0.000 0.252 523 V C 2.356 178.172 176.094 -0.464 0.000 1.067 523 V CA 1.129 63.101 62.300 -0.547 0.000 1.081 523 V CB -0.648 30.682 31.823 -0.821 0.000 0.686 523 V HN 0.457 nan 8.190 nan 0.000 0.468 524 L N -0.683 120.345 121.223 -0.326 0.000 2.056 524 L HA -0.208 4.132 4.340 -0.000 0.000 0.207 524 L C 2.680 179.413 176.870 -0.229 0.000 1.078 524 L CA 1.601 56.296 54.840 -0.241 0.000 0.749 524 L CB -0.559 41.368 42.059 -0.219 0.000 0.901 524 L HN 0.359 nan 8.230 nan 0.000 0.433 525 Q N 0.127 119.795 119.800 -0.220 0.000 2.050 525 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 525 Q C 2.228 178.082 176.000 -0.243 0.000 0.980 525 Q CA 1.534 57.227 55.803 -0.183 0.000 0.840 525 Q CB -0.106 28.545 28.738 -0.145 0.000 0.898 525 Q HN 0.429 nan 8.270 nan 0.000 0.424 526 K N 0.573 120.751 120.400 -0.370 0.000 2.097 526 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 526 K C 2.081 178.388 176.600 -0.488 0.000 1.049 526 K CA 0.983 56.950 56.287 -0.533 0.000 0.933 526 K CB -0.126 31.776 32.500 -0.997 0.000 0.717 526 K HN 0.167 nan 8.250 nan 0.000 0.442 527 L N -0.073 120.883 121.223 -0.445 0.000 2.131 527 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 527 L C 2.427 179.180 176.870 -0.194 0.000 1.092 527 L CA 1.217 55.880 54.840 -0.296 0.000 0.759 527 L CB -0.594 41.273 42.059 -0.320 0.000 0.903 527 L HN 0.356 nan 8.230 nan 0.000 0.435 528 G N -1.318 107.374 108.800 -0.180 0.000 2.484 528 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 528 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 528 G C 1.481 176.319 174.900 -0.103 0.000 1.130 528 G CA 0.115 45.142 45.100 -0.122 0.000 0.784 528 G HN 0.234 nan 8.290 nan 0.000 0.543 529 Q N 0.352 120.077 119.800 -0.125 0.000 2.297 529 Q HA 0.005 4.345 4.340 -0.000 0.000 0.204 529 Q C 2.089 178.052 176.000 -0.061 0.000 0.962 529 Q CA 0.839 56.587 55.803 -0.092 0.000 0.879 529 Q CB 0.083 28.754 28.738 -0.112 0.000 0.947 529 Q HN 0.434 nan 8.270 nan 0.000 0.462 530 E N -0.402 119.760 120.200 -0.063 0.000 2.479 530 E HA 0.081 4.431 4.350 -0.000 0.000 0.193 530 E C -0.485 176.089 176.600 -0.044 0.000 1.049 530 E CA 0.031 56.410 56.400 -0.034 0.000 0.870 530 E CB -0.010 29.681 29.700 -0.014 0.000 0.944 530 E HN 0.417 nan 8.360 nan 0.000 0.492 531 N N 0.302 118.969 118.700 -0.056 0.000 2.791 531 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 531 N C -0.776 174.701 175.510 -0.055 0.000 1.082 531 N CA -0.071 52.949 53.050 -0.050 0.000 0.680 531 N CB -0.638 37.827 38.487 -0.036 0.000 0.918 531 N HN -0.019 nan 8.380 nan 0.000 0.555 532 L N 0.525 121.704 121.223 -0.073 0.000 3.510 532 L HA 0.086 4.426 4.340 -0.000 0.000 0.324 532 L C 1.736 178.557 176.870 -0.082 0.000 1.307 532 L CA -0.014 54.777 54.840 -0.082 0.000 1.011 532 L CB 0.564 42.551 42.059 -0.119 0.000 1.422 532 L HN 0.272 nan 8.230 nan 0.000 0.617 533 E N 0.091 120.249 120.200 -0.070 0.000 2.204 533 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 533 E C 0.124 176.702 176.600 -0.036 0.000 0.989 533 E CA 1.636 57.999 56.400 -0.060 0.000 0.824 533 E CB -0.040 29.626 29.700 -0.057 0.000 0.756 533 E HN 0.609 nan 8.360 nan 0.000 0.477 534 D N 0.588 120.970 120.400 -0.030 0.000 2.325 534 D HA 0.051 4.691 4.640 -0.000 0.000 0.225 534 D C 1.188 177.484 176.300 -0.008 0.000 1.096 534 D CA 0.071 54.062 54.000 -0.015 0.000 0.844 534 D CB 0.229 41.021 40.800 -0.014 0.000 0.925 534 D HN 0.165 nan 8.370 nan 0.000 0.513 535 K N 0.069 120.459 120.400 -0.016 0.000 2.469 535 K HA 0.236 4.556 4.320 -0.000 0.000 0.204 535 K C -0.593 176.014 176.600 0.011 0.000 1.047 535 K CA -0.216 56.067 56.287 -0.006 0.000 1.072 535 K CB 0.312 32.797 32.500 -0.025 0.000 0.863 535 K HN 0.401 nan 8.250 nan 0.000 0.530 536 C N -2.789 116.524 119.300 0.021 0.000 3.321 536 C HA 0.809 5.269 4.460 -0.000 0.000 0.363 536 C C 0.982 176.027 174.990 0.093 0.000 1.705 536 C CA -0.943 58.122 59.018 0.078 0.000 1.298 536 C CB 0.277 28.049 27.740 0.055 0.000 2.086 536 C HN 0.227 nan 8.230 nan 0.000 0.438 537 G N 1.176 110.065 108.800 0.149 0.000 2.559 537 G HA2 0.454 4.414 3.960 -0.000 0.000 0.235 537 G HA3 0.454 4.414 3.960 -0.000 0.000 0.235 537 G C -0.649 174.299 174.900 0.080 0.000 1.266 537 G CA -0.040 45.153 45.100 0.156 0.000 0.847 537 G HN 0.879 nan 8.290 nan 0.000 0.583 538 K N -0.158 120.290 120.400 0.080 0.000 2.218 538 K HA 0.434 4.753 4.320 -0.000 0.000 0.276 538 K C -0.273 176.336 176.600 0.015 0.000 1.022 538 K CA -0.531 55.773 56.287 0.028 0.000 0.946 538 K CB 1.475 33.984 32.500 0.015 0.000 1.000 538 K HN 0.254 nan 8.250 nan 0.000 0.468 539 L N 2.572 123.780 121.223 -0.025 0.000 2.294 539 L HA 0.282 4.622 4.340 -0.000 0.000 0.283 539 L C -0.920 175.892 176.870 -0.097 0.000 1.015 539 L CA -0.326 54.490 54.840 -0.039 0.000 0.831 539 L CB 1.111 43.150 42.059 -0.033 0.000 1.217 539 L HN 0.579 nan 8.230 nan 0.000 0.420 540 D N 6.522 126.782 120.400 -0.233 0.000 2.348 540 D HA 0.183 4.823 4.640 -0.000 0.000 0.253 540 D C -1.837 174.391 176.300 -0.121 0.000 1.161 540 D CA -1.703 52.104 54.000 -0.322 0.000 0.876 540 D CB 2.135 42.431 40.800 -0.839 0.000 1.160 540 D HN 0.370 nan 8.370 nan 0.000 0.459 541 P HA -0.181 nan 4.420 nan 0.000 0.216 541 P C 1.186 178.541 177.300 0.091 0.000 1.154 541 P CA 1.995 65.104 63.100 0.015 0.000 0.865 541 P CB -0.043 31.652 31.700 -0.008 0.000 0.789 542 T N -5.176 109.452 114.554 0.123 0.000 3.155 542 T HA -0.070 4.280 4.350 -0.000 0.000 0.264 542 T C 1.111 176.133 174.700 0.537 0.000 1.160 542 T CA 0.798 63.036 62.100 0.231 0.000 1.075 542 T CB -0.909 68.082 68.868 0.204 0.000 0.921 542 T HN -0.084 nan 8.240 nan 0.000 0.533 543 F N 1.002 121.062 119.950 0.185 0.000 2.678 543 F HA 0.619 5.146 4.527 -0.000 0.000 0.291 543 F C 2.562 178.469 175.800 0.179 0.000 1.123 543 F CA -1.239 56.960 58.000 0.333 0.000 1.395 543 F CB -1.059 38.151 39.000 0.349 0.000 1.121 543 F HN 0.240 nan 8.300 nan 0.000 0.592 544 A N 0.805 123.796 122.820 0.285 0.000 1.881 544 A HA -0.314 4.006 4.320 -0.000 0.000 0.219 544 A C 2.453 180.109 177.584 0.120 0.000 1.215 544 A CA 2.963 55.085 52.037 0.142 0.000 0.648 544 A CB -1.395 17.654 19.000 0.082 0.000 0.832 544 A HN 0.398 nan 8.150 nan 0.000 0.455 545 S N 0.154 115.930 115.700 0.126 0.000 2.420 545 S HA -0.053 4.417 4.470 -0.000 0.000 0.237 545 S C 1.900 176.588 174.600 0.147 0.000 1.023 545 S CA 1.501 59.772 58.200 0.120 0.000 0.991 545 S CB -0.805 62.455 63.200 0.100 0.000 0.792 545 S HN 1.181 nan 8.310 nan 0.000 0.488 546 A N 1.687 124.606 122.820 0.166 0.000 2.125 546 A HA 0.000 4.320 4.320 -0.000 0.000 0.219 546 A C 2.373 179.992 177.584 0.058 0.000 1.156 546 A CA 1.741 53.848 52.037 0.115 0.000 0.671 546 A CB -1.187 17.823 19.000 0.016 0.000 0.794 546 A HN 0.834 nan 8.150 nan 0.000 0.459 547 T N -2.669 111.920 114.554 0.058 0.000 3.060 547 T HA 0.399 4.749 4.350 -0.000 0.000 0.249 547 T C 0.467 175.225 174.700 0.097 0.000 1.079 547 T CA -0.332 61.806 62.100 0.063 0.000 1.013 547 T CB -0.496 68.379 68.868 0.012 0.000 0.975 547 T HN 0.216 nan 8.240 nan 0.000 0.518 548 L N 2.140 123.427 121.223 0.106 0.000 2.453 548 L HA 0.352 4.692 4.340 -0.000 0.000 0.272 548 L C 0.369 177.326 176.870 0.146 0.000 1.182 548 L CA -0.543 54.362 54.840 0.108 0.000 0.858 548 L CB 0.474 42.594 42.059 0.103 0.000 1.120 548 L HN 0.184 nan 8.230 nan 0.000 0.474 549 L N 2.411 123.716 121.223 0.136 0.000 2.399 549 L HA 0.261 4.601 4.340 -0.000 0.000 0.266 549 L C 0.107 177.123 176.870 0.243 0.000 1.114 549 L CA -0.587 54.369 54.840 0.193 0.000 0.804 549 L CB 0.603 42.752 42.059 0.151 0.000 1.146 549 L HN 0.360 nan 8.230 nan 0.000 0.451 550 F N 2.818 122.891 119.950 0.205 0.000 2.580 550 F HA -0.075 4.452 4.527 -0.000 0.000 0.398 550 F C 0.210 176.126 175.800 0.194 0.000 1.023 550 F CA 0.446 58.581 58.000 0.225 0.000 1.188 550 F CB 0.099 39.319 39.000 0.367 0.000 1.005 550 F HN 0.372 nan 8.300 nan 0.000 0.546 551 Q N 6.995 126.516 119.800 -0.465 0.000 2.321 551 Q HA 0.216 4.556 4.340 -0.000 0.000 0.270 551 Q C 0.110 175.786 176.000 -0.539 0.000 1.032 551 Q CA -0.799 54.820 55.803 -0.307 0.000 0.784 551 Q CB 2.235 30.891 28.738 -0.138 0.000 1.264 551 Q HN 0.696 nan 8.270 nan 0.000 0.448 552 K N 0.842 121.064 120.400 -0.297 0.000 2.465 552 K HA 0.362 4.682 4.320 -0.000 0.000 0.176 552 K C -0.331 176.212 176.600 -0.096 0.000 1.104 552 K CA -0.128 56.048 56.287 -0.185 0.000 1.160 552 K CB 0.261 32.788 32.500 0.044 0.000 1.607 552 K HN 0.412 nan 8.250 nan 0.000 0.469 553 D N 0.231 120.624 120.400 -0.011 0.000 2.516 553 D HA 0.075 4.715 4.640 -0.000 0.000 0.179 553 D C -2.921 173.405 176.300 0.044 0.000 0.854 553 D CA -0.519 53.487 54.000 0.009 0.000 1.027 553 D CB 0.442 41.241 40.800 -0.002 0.000 4.597 553 D HN 0.240 nan 8.370 nan 0.000 0.486 554 P HA 0.155 nan 4.420 nan 0.000 0.263 554 P C -2.345 175.005 177.300 0.083 0.000 1.175 554 P CA -0.672 62.471 63.100 0.072 0.000 0.761 554 P CB -0.322 31.416 31.700 0.064 0.000 0.794 555 P HA 0.242 nan 4.420 nan 0.000 0.272 555 P C -1.020 176.348 177.300 0.114 0.000 1.230 555 P CA -0.269 62.906 63.100 0.124 0.000 0.788 555 P CB 0.747 32.546 31.700 0.164 0.000 0.949 556 A N 1.943 124.833 122.820 0.117 0.000 2.499 556 A HA 0.470 4.790 4.320 -0.000 0.000 0.280 556 A C -1.092 176.566 177.584 0.123 0.000 1.135 556 A CA -0.596 51.502 52.037 0.101 0.000 0.744 556 A CB 0.725 19.771 19.000 0.076 0.000 1.213 556 A HN 0.464 nan 8.150 nan 0.000 0.434 557 D N 2.154 122.626 120.400 0.120 0.000 2.505 557 D HA 0.511 5.150 4.640 -0.000 0.000 0.249 557 D C -0.547 175.795 176.300 0.070 0.000 1.082 557 D CA -0.191 53.881 54.000 0.120 0.000 0.839 557 D CB 2.510 43.399 40.800 0.148 0.000 1.317 557 D HN 0.679 nan 8.370 nan 0.000 0.497 558 V N -0.459 119.481 119.914 0.044 0.000 2.638 558 V HA 0.627 4.747 4.120 -0.000 0.000 0.306 558 V C -1.206 174.893 176.094 0.009 0.000 1.052 558 V CA -0.796 61.518 62.300 0.024 0.000 0.885 558 V CB 1.950 33.783 31.823 0.016 0.000 0.999 558 V HN 0.248 nan 8.190 nan 0.000 0.424 559 Q N 4.564 124.385 119.800 0.035 0.000 2.316 559 Q HA 0.792 5.132 4.340 -0.000 0.000 0.264 559 Q C -1.043 175.041 176.000 0.139 0.000 0.987 559 Q CA -0.293 55.548 55.803 0.062 0.000 0.852 559 Q CB 2.341 31.127 28.738 0.079 0.000 1.287 559 Q HN 0.892 nan 8.270 nan 0.000 0.448 560 L N 4.594 125.893 121.223 0.127 0.000 2.343 560 L HA 0.689 5.029 4.340 -0.000 0.000 0.278 560 L C -0.932 176.056 176.870 0.198 0.000 0.996 560 L CA -0.832 54.065 54.840 0.096 0.000 0.831 560 L CB 0.346 42.410 42.059 0.008 0.000 1.232 560 L HN 0.609 nan 8.230 nan 0.000 0.413 561 F N 0.157 120.083 119.950 -0.040 0.000 2.790 561 F HA 0.621 5.148 4.527 -0.000 0.000 0.337 561 F C -0.584 175.197 175.800 -0.031 0.000 1.163 561 F CA -1.210 56.768 58.000 -0.036 0.000 0.997 561 F CB 1.205 40.180 39.000 -0.041 0.000 1.437 561 F HN 0.270 nan 8.300 nan 0.000 0.512 562 Q N 0.935 120.802 119.800 0.112 0.000 2.256 562 Q HA 0.285 4.625 4.340 -0.000 0.000 0.257 562 Q C -0.809 175.195 176.000 0.006 0.000 0.936 562 Q CA -0.846 54.947 55.803 -0.016 0.000 0.903 562 Q CB 2.022 30.773 28.738 0.022 0.000 1.263 562 Q HN 0.681 nan 8.270 nan 0.000 0.440 563 E N 0.916 121.065 120.200 -0.085 0.000 2.409 563 E HA 0.118 4.468 4.350 -0.000 0.000 0.257 563 E C -0.877 175.726 176.600 0.005 0.000 1.150 563 E CA -0.305 56.070 56.400 -0.041 0.000 0.942 563 E CB 0.778 30.433 29.700 -0.076 0.000 0.979 563 E HN 0.356 nan 8.360 nan 0.000 0.447 564 V N 0.595 120.519 119.914 0.017 0.000 2.904 564 V HA 0.506 4.626 4.120 -0.000 0.000 0.305 564 V C -2.104 173.985 176.094 -0.008 0.000 1.067 564 V CA -2.025 60.279 62.300 0.006 0.000 1.044 564 V CB 0.492 32.317 31.823 0.003 0.000 1.050 564 V HN 0.682 nan 8.190 nan 0.000 0.475 565 P HA 0.052 nan 4.420 nan 0.000 0.261 565 P C 0.401 177.693 177.300 -0.013 0.000 1.165 565 P CA 0.136 63.228 63.100 -0.014 0.000 0.759 565 P CB 0.336 32.026 31.700 -0.016 0.000 0.772 566 K N 3.099 123.491 120.400 -0.013 0.000 2.097 566 K HA -0.182 4.138 4.320 -0.000 0.000 0.214 566 K C 1.946 178.541 176.600 -0.009 0.000 1.052 566 K CA 2.317 58.597 56.287 -0.012 0.000 0.932 566 K CB -1.026 31.467 32.500 -0.012 0.000 0.716 566 K HN 0.683 nan 8.250 nan 0.000 0.455 567 G N -0.273 108.523 108.800 -0.008 0.000 3.088 567 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.212 567 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.212 567 G C 0.016 174.912 174.900 -0.007 0.000 1.173 567 G CA -0.309 44.788 45.100 -0.005 0.000 0.779 567 G HN 0.350 nan 8.290 nan 0.000 0.540 568 Q N 1.200 120.993 119.800 -0.012 0.000 2.300 568 Q HA 0.253 4.593 4.340 -0.000 0.000 0.280 568 Q C 0.661 176.653 176.000 -0.014 0.000 1.033 568 Q CA -0.285 55.507 55.803 -0.018 0.000 0.903 568 Q CB 0.426 29.149 28.738 -0.026 0.000 1.195 568 Q HN 0.188 nan 8.270 nan 0.000 0.386 569 S N 2.371 118.062 115.700 -0.015 0.000 2.558 569 S HA -0.116 4.354 4.470 -0.000 0.000 0.287 569 S C 0.932 175.526 174.600 -0.010 0.000 1.321 569 S CA 0.281 58.475 58.200 -0.010 0.000 1.048 569 S CB 0.766 63.959 63.200 -0.011 0.000 0.844 569 S HN 0.882 nan 8.310 nan 0.000 0.512 570 E N 2.094 122.292 120.200 -0.004 0.000 2.268 570 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 570 E C 1.241 177.838 176.600 -0.005 0.000 0.995 570 E CA 1.059 57.459 56.400 -0.001 0.000 0.836 570 E CB 0.045 29.747 29.700 0.003 0.000 0.763 570 E HN 0.807 nan 8.360 nan 0.000 0.491 571 E N 0.334 120.527 120.200 -0.011 0.000 2.478 571 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 571 E C -0.056 176.526 176.600 -0.031 0.000 1.045 571 E CA -0.073 56.315 56.400 -0.020 0.000 0.868 571 E CB 0.246 29.931 29.700 -0.024 0.000 0.885 571 E HN 0.088 nan 8.360 nan 0.000 0.505 572 D N 0.985 121.364 120.400 -0.034 0.000 2.393 572 D HA 0.036 4.676 4.640 -0.000 0.000 0.232 572 D C 0.808 177.077 176.300 -0.050 0.000 1.192 572 D CA -0.065 53.901 54.000 -0.056 0.000 0.882 572 D CB 0.776 41.534 40.800 -0.069 0.000 1.038 572 D HN -0.094 nan 8.370 nan 0.000 0.499 573 M N 2.459 122.031 119.600 -0.048 0.000 2.506 573 M HA 0.033 4.513 4.480 -0.000 0.000 0.260 573 M C 0.508 176.780 176.300 -0.046 0.000 1.104 573 M CA 0.189 55.470 55.300 -0.032 0.000 1.112 573 M CB -0.179 32.410 32.600 -0.019 0.000 1.401 573 M HN 0.114 nan 8.290 nan 0.000 0.473 574 V N 1.577 121.440 119.914 -0.085 0.000 2.557 574 V HA 0.211 4.331 4.120 -0.000 0.000 0.301 574 V C 1.550 177.599 176.094 -0.075 0.000 1.026 574 V CA 1.230 63.468 62.300 -0.104 0.000 1.137 574 V CB -0.289 31.392 31.823 -0.235 0.000 0.917 574 V HN 0.848 nan 8.190 nan 0.000 0.484 575 G N 4.493 113.266 108.800 -0.044 0.000 2.217 575 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.246 575 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.246 575 G C 0.356 175.262 174.900 0.011 0.000 0.990 575 G CA 0.118 45.209 45.100 -0.015 0.000 0.627 575 G HN 0.622 nan 8.290 nan 0.000 0.522 576 R N 1.293 121.793 120.500 0.000 0.000 2.500 576 R HA 0.433 4.773 4.340 -0.000 0.000 0.275 576 R C -2.221 174.069 176.300 -0.015 0.000 1.051 576 R CA -1.424 54.691 56.100 0.025 0.000 1.088 576 R CB 1.090 31.407 30.300 0.027 0.000 1.063 576 R HN 0.085 nan 8.270 nan 0.000 0.511 577 P HA 0.015 nan 4.420 nan 0.000 0.230 577 P C -0.749 176.565 177.300 0.024 0.000 1.791 577 P CA -0.147 62.888 63.100 -0.108 0.000 1.020 577 P CB -0.001 31.602 31.700 -0.160 0.000 1.977 578 L N 4.783 126.022 121.223 0.027 0.000 2.361 578 L HA 0.346 4.686 4.340 -0.000 0.000 0.278 578 L C -2.088 174.875 176.870 0.155 0.000 1.113 578 L CA -2.162 52.731 54.840 0.089 0.000 0.849 578 L CB 0.055 42.139 42.059 0.042 0.000 1.155 578 L HN 0.077 nan 8.230 nan 0.000 0.452 579 P HA -0.051 nan 4.420 nan 0.000 0.269 579 P C -0.599 176.826 177.300 0.208 0.000 1.215 579 P CA -0.161 63.131 63.100 0.320 0.000 0.780 579 P CB 0.294 32.072 31.700 0.129 0.000 0.898 580 H N 2.667 121.814 119.070 0.128 0.000 3.157 580 H HA -0.026 4.530 4.556 -0.000 0.000 0.299 580 H C 1.311 176.678 175.328 0.065 0.000 0.961 580 H CA 0.495 56.589 56.048 0.077 0.000 1.428 580 H CB 0.277 30.080 29.762 0.068 0.000 1.459 580 H HN 0.327 nan 8.280 nan 0.000 0.566 581 L N 4.450 125.696 121.223 0.040 0.000 2.021 581 L HA -0.275 4.065 4.340 -0.000 0.000 0.215 581 L C 2.434 179.416 176.870 0.187 0.000 1.074 581 L CA 1.827 56.723 54.840 0.092 0.000 0.760 581 L CB -0.550 41.519 42.059 0.015 0.000 0.889 581 L HN 0.641 nan 8.230 nan 0.000 0.433 582 A N -0.741 122.278 122.820 0.331 0.000 2.238 582 A HA 0.267 4.587 4.320 -0.000 0.000 0.208 582 A C 2.408 180.091 177.584 0.166 0.000 1.177 582 A CA 0.808 52.987 52.037 0.236 0.000 0.804 582 A CB -0.374 18.760 19.000 0.224 0.000 0.823 582 A HN 0.361 nan 8.150 nan 0.000 0.482 583 A N 0.915 123.848 122.820 0.189 0.000 1.903 583 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 583 A C 1.787 179.396 177.584 0.041 0.000 1.191 583 A CA 2.185 54.260 52.037 0.063 0.000 0.638 583 A CB -0.580 18.462 19.000 0.069 0.000 0.823 583 A HN 0.461 nan 8.150 nan 0.000 0.451 584 D N -0.509 119.922 120.400 0.052 0.000 2.097 584 D HA -0.145 4.495 4.640 -0.000 0.000 0.195 584 D C 2.063 178.389 176.300 0.043 0.000 0.989 584 D CA 1.652 55.675 54.000 0.039 0.000 0.827 584 D CB -0.411 40.414 40.800 0.042 0.000 0.966 584 D HN 0.544 nan 8.370 nan 0.000 0.456 585 M N 0.158 119.790 119.600 0.053 0.000 2.279 585 M HA -0.154 4.326 4.480 -0.000 0.000 0.264 585 M C 2.107 178.438 176.300 0.051 0.000 1.062 585 M CA 1.206 56.534 55.300 0.047 0.000 1.099 585 M CB -0.183 32.446 32.600 0.048 0.000 1.394 585 M HN 0.001 nan 8.290 nan 0.000 0.426 586 Q N 0.046 119.881 119.800 0.058 0.000 2.123 586 Q HA -0.024 4.316 4.340 -0.000 0.000 0.199 586 Q C 2.260 178.300 176.000 0.067 0.000 0.966 586 Q CA 1.412 57.265 55.803 0.084 0.000 0.845 586 Q CB -0.135 28.646 28.738 0.071 0.000 0.907 586 Q HN 0.581 nan 8.270 nan 0.000 0.439 587 A N 0.719 123.567 122.820 0.047 0.000 2.067 587 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 587 A C 2.030 179.640 177.584 0.043 0.000 1.158 587 A CA 1.485 53.551 52.037 0.048 0.000 0.661 587 A CB -0.220 18.808 19.000 0.046 0.000 0.801 587 A HN 0.382 nan 8.150 nan 0.000 0.452 588 S N -2.145 113.577 115.700 0.036 0.000 2.556 588 S HA 0.397 4.867 4.470 -0.000 0.000 0.216 588 S C 1.310 175.918 174.600 0.013 0.000 0.970 588 S CA 0.887 59.099 58.200 0.021 0.000 0.912 588 S CB -0.240 62.973 63.200 0.022 0.000 0.790 588 S HN 1.813 nan 8.310 nan 0.000 0.504 589 G N 1.197 110.014 108.800 0.028 0.000 2.179 589 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.257 589 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.257 589 G C 0.446 175.367 174.900 0.035 0.000 1.010 589 G CA 0.639 45.757 45.100 0.030 0.000 0.736 589 G HN 0.581 nan 8.290 nan 0.000 0.513 590 E N -0.225 119.995 120.200 0.033 0.000 2.166 590 E HA 0.394 4.744 4.350 -0.000 0.000 0.192 590 E C 1.934 178.542 176.600 0.013 0.000 0.967 590 E CA 0.334 56.745 56.400 0.019 0.000 0.840 590 E CB 0.093 29.802 29.700 0.015 0.000 0.795 590 E HN 0.774 nan 8.360 nan 0.000 0.470 591 A N 1.578 124.407 122.820 0.016 0.000 2.546 591 A HA 0.134 4.454 4.320 -0.000 0.000 0.243 591 A C 0.095 177.609 177.584 -0.117 0.000 1.063 591 A CA 0.043 52.043 52.037 -0.062 0.000 0.757 591 A CB 0.273 19.225 19.000 -0.080 0.000 0.991 591 A HN 0.013 nan 8.150 nan 0.000 0.503 592 V N 3.888 123.692 119.914 -0.182 0.000 2.439 592 V HA 0.345 4.465 4.120 -0.000 0.000 0.282 592 V C -0.528 175.395 176.094 -0.284 0.000 1.039 592 V CA -0.103 62.116 62.300 -0.135 0.000 0.913 592 V CB 0.382 32.157 31.823 -0.079 0.000 0.983 592 V HN 0.743 nan 8.190 nan 0.000 0.460 593 Y N 1.530 121.880 120.300 0.084 0.000 2.528 593 Y HA 0.340 4.890 4.550 -0.000 0.000 0.335 593 Y C 1.480 177.413 175.900 0.056 0.000 1.093 593 Y CA -0.310 57.852 58.100 0.103 0.000 1.134 593 Y CB 1.043 39.646 38.460 0.239 0.000 1.253 593 Y HN 0.683 nan 8.280 nan 0.000 0.478 594 C N 1.022 120.432 119.300 0.182 0.000 2.326 594 C HA -0.336 4.124 4.460 -0.000 0.000 0.269 594 C C 2.491 177.525 174.990 0.074 0.000 1.140 594 C CA 2.670 61.748 59.018 0.101 0.000 1.798 594 C CB -0.748 27.048 27.740 0.093 0.000 2.053 594 C HN 1.107 nan 8.230 nan 0.000 0.438 595 D N -0.623 119.844 120.400 0.111 0.000 2.371 595 D HA -0.044 4.596 4.640 -0.000 0.000 0.221 595 D C 1.371 177.714 176.300 0.071 0.000 0.986 595 D CA 0.794 54.845 54.000 0.084 0.000 0.899 595 D CB -0.334 40.527 40.800 0.102 0.000 0.902 595 D HN 0.568 nan 8.370 nan 0.000 0.530 596 D N -0.357 120.102 120.400 0.099 0.000 2.347 596 D HA 0.027 4.667 4.640 -0.000 0.000 0.213 596 D C 0.560 176.848 176.300 -0.020 0.000 0.985 596 D CA 0.085 54.124 54.000 0.065 0.000 0.879 596 D CB 0.160 41.035 40.800 0.125 0.000 0.919 596 D HN 0.368 nan 8.370 nan 0.000 0.526 597 I N 2.707 123.237 120.570 -0.066 0.000 2.587 597 I HA 0.041 4.211 4.170 -0.000 0.000 0.284 597 I C -1.912 174.102 176.117 -0.171 0.000 1.134 597 I CA -1.565 59.635 61.300 -0.168 0.000 1.410 597 I CB 0.239 38.063 38.000 -0.292 0.000 1.392 597 I HN -0.324 nan 8.210 nan 0.000 0.545 598 P HA 0.046 nan 4.420 nan 0.000 0.266 598 P C -0.540 176.611 177.300 -0.248 0.000 1.186 598 P CA 0.090 63.076 63.100 -0.190 0.000 0.767 598 P CB 0.444 32.024 31.700 -0.201 0.000 0.820 599 R N 1.634 122.030 120.500 -0.173 0.000 2.500 599 R HA 0.335 4.675 4.340 -0.000 0.000 0.275 599 R C -0.023 176.179 176.300 -0.163 0.000 1.051 599 R CA -0.435 55.586 56.100 -0.132 0.000 1.088 599 R CB 0.312 30.590 30.300 -0.037 0.000 1.063 599 R HN 0.444 nan 8.270 nan 0.000 0.511 600 Y N 1.138 121.430 120.300 -0.014 0.000 2.281 600 Y HA -0.068 4.482 4.550 -0.000 0.000 0.337 600 Y C 1.923 177.818 175.900 -0.008 0.000 1.304 600 Y CA -0.004 58.090 58.100 -0.009 0.000 1.465 600 Y CB 0.647 39.109 38.460 0.004 0.000 1.350 600 Y HN 0.667 nan 8.280 nan 0.000 0.575 601 E N 0.058 120.361 120.200 0.173 0.000 2.204 601 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 601 E C 0.340 176.985 176.600 0.075 0.000 0.990 601 E CA 1.496 57.947 56.400 0.086 0.000 0.821 601 E CB -0.291 29.447 29.700 0.064 0.000 0.750 601 E HN 0.735 nan 8.360 nan 0.000 0.477 602 N N 1.032 119.789 118.700 0.094 0.000 2.214 602 N HA 0.010 4.750 4.740 -0.000 0.000 0.214 602 N C -0.353 175.197 175.510 0.066 0.000 1.132 602 N CA -0.152 52.931 53.050 0.056 0.000 0.856 602 N CB 0.274 38.775 38.487 0.023 0.000 1.020 602 N HN 0.163 nan 8.380 nan 0.000 0.509 603 E N 1.134 121.399 120.200 0.108 0.000 2.344 603 E HA 0.239 4.588 4.350 -0.000 0.000 0.270 603 E C -0.532 176.109 176.600 0.068 0.000 1.021 603 E CA -0.223 56.243 56.400 0.109 0.000 0.887 603 E CB 0.785 30.574 29.700 0.149 0.000 0.997 603 E HN 0.245 nan 8.360 nan 0.000 0.429 604 L N 2.091 123.348 121.223 0.058 0.000 2.332 604 L HA 0.434 4.774 4.340 -0.000 0.000 0.269 604 L C -0.044 176.857 176.870 0.051 0.000 1.016 604 L CA -0.886 53.980 54.840 0.043 0.000 0.809 604 L CB 1.968 44.039 42.059 0.020 0.000 1.280 604 L HN 0.435 nan 8.230 nan 0.000 0.447 605 S N 1.442 117.172 115.700 0.051 0.000 2.549 605 S HA 0.693 5.163 4.470 -0.000 0.000 0.297 605 S C -0.683 173.955 174.600 0.063 0.000 1.115 605 S CA -0.553 57.682 58.200 0.059 0.000 1.059 605 S CB 1.941 65.177 63.200 0.060 0.000 1.046 605 S HN 0.428 nan 8.310 nan 0.000 0.506 606 L N 2.435 123.701 121.223 0.072 0.000 2.354 606 L HA 0.810 5.150 4.340 -0.000 0.000 0.264 606 L C -0.850 176.077 176.870 0.095 0.000 1.008 606 L CA -0.784 54.103 54.840 0.079 0.000 0.819 606 L CB 1.761 43.867 42.059 0.079 0.000 1.339 606 L HN 0.743 nan 8.230 nan 0.000 0.420 607 R N 4.058 124.624 120.500 0.110 0.000 2.508 607 R HA 0.474 4.814 4.340 -0.000 0.000 0.283 607 R C -1.780 174.603 176.300 0.138 0.000 1.120 607 R CA -0.656 55.516 56.100 0.120 0.000 0.958 607 R CB 1.263 31.637 30.300 0.123 0.000 1.215 607 R HN 0.714 nan 8.270 nan 0.000 0.427 608 L N 3.476 124.783 121.223 0.141 0.000 2.483 608 L HA 0.228 4.568 4.340 -0.000 0.000 0.276 608 L C -0.171 176.803 176.870 0.173 0.000 1.213 608 L CA -0.384 54.556 54.840 0.167 0.000 0.843 608 L CB 0.927 43.084 42.059 0.163 0.000 1.107 608 L HN 0.321 nan 8.230 nan 0.000 0.487 609 V N 1.507 121.538 119.914 0.195 0.000 2.350 609 V HA 0.331 4.451 4.120 -0.000 0.000 0.285 609 V C 0.305 176.521 176.094 0.204 0.000 1.014 609 V CA -0.500 61.926 62.300 0.210 0.000 0.831 609 V CB 1.476 33.477 31.823 0.297 0.000 1.000 609 V HN 0.942 nan 8.190 nan 0.000 0.433 610 T N 1.228 115.894 114.554 0.186 0.000 2.952 610 T HA 0.546 4.896 4.350 -0.000 0.000 0.286 610 T C 0.205 175.025 174.700 0.200 0.000 1.024 610 T CA -0.640 61.575 62.100 0.191 0.000 1.029 610 T CB 1.748 70.720 68.868 0.173 0.000 1.094 610 T HN 0.513 nan 8.240 nan 0.000 0.515 611 S N 0.315 116.139 115.700 0.207 0.000 2.562 611 S HA 0.264 4.734 4.470 -0.000 0.000 0.281 611 S C 1.273 175.947 174.600 0.122 0.000 1.333 611 S CA -0.020 58.306 58.200 0.209 0.000 1.052 611 S CB -0.056 63.252 63.200 0.180 0.000 0.884 611 S HN 0.957 nan 8.310 nan 0.000 0.506 612 T N 2.522 117.111 114.554 0.058 0.000 3.092 612 T HA 0.385 4.735 4.350 -0.000 0.000 0.258 612 T C 0.301 174.887 174.700 -0.189 0.000 1.031 612 T CA -0.480 61.610 62.100 -0.017 0.000 0.925 612 T CB 0.052 68.969 68.868 0.080 0.000 1.036 612 T HN 0.386 nan 8.240 nan 0.000 0.544 613 R N 0.287 120.579 120.500 -0.348 0.000 2.803 613 R HA 0.804 5.143 4.340 -0.000 0.000 0.276 613 R C 0.890 177.117 176.300 -0.122 0.000 0.978 613 R CA -0.485 55.423 56.100 -0.320 0.000 0.939 613 R CB 1.189 31.137 30.300 -0.587 0.000 1.179 613 R HN 0.120 nan 8.270 nan 0.000 0.472 614 A N 0.575 123.362 122.820 -0.054 0.000 1.970 614 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 614 A C 0.287 177.929 177.584 0.096 0.000 1.170 614 A CA 1.173 53.217 52.037 0.011 0.000 0.645 614 A CB -0.042 18.957 19.000 -0.002 0.000 0.816 614 A HN 0.696 nan 8.150 nan 0.000 0.447 615 H N -1.983 117.059 119.070 -0.048 0.000 3.188 615 H HA 0.514 5.070 4.556 -0.000 0.000 0.325 615 H C -1.135 174.180 175.328 -0.021 0.000 1.033 615 H CA -0.167 55.873 56.048 -0.014 0.000 1.443 615 H CB 0.965 30.718 29.762 -0.014 0.000 1.968 615 H HN 0.463 nan 8.280 nan 0.000 0.449 616 A N 4.173 127.007 122.820 0.024 0.000 2.566 616 A HA 0.423 4.743 4.320 -0.000 0.000 0.290 616 A C -1.573 176.044 177.584 0.055 0.000 1.071 616 A CA -0.998 51.022 52.037 -0.029 0.000 0.658 616 A CB 1.703 20.706 19.000 0.004 0.000 1.285 616 A HN 0.536 nan 8.150 nan 0.000 0.427 617 K N 0.493 120.929 120.400 0.059 0.000 2.118 617 K HA 0.575 4.895 4.320 -0.000 0.000 0.267 617 K C -0.873 175.801 176.600 0.123 0.000 0.991 617 K CA -0.307 56.022 56.287 0.070 0.000 0.916 617 K CB 1.434 33.949 32.500 0.025 0.000 1.041 617 K HN 0.521 nan 8.250 nan 0.000 0.455 618 I N 4.257 124.877 120.570 0.083 0.000 2.278 618 I HA 0.000 4.170 4.170 -0.000 0.000 0.296 618 I C 1.360 177.463 176.117 -0.023 0.000 1.121 618 I CA -0.104 61.209 61.300 0.022 0.000 1.267 618 I CB 0.408 38.410 38.000 0.003 0.000 1.447 618 I HN 0.470 nan 8.210 nan 0.000 0.509 619 K N 3.417 123.789 120.400 -0.047 0.000 2.057 619 K HA -0.023 4.297 4.320 -0.000 0.000 0.206 619 K C 0.747 177.306 176.600 -0.069 0.000 1.050 619 K CA 0.860 57.120 56.287 -0.045 0.000 0.935 619 K CB 0.122 32.599 32.500 -0.039 0.000 0.715 619 K HN 0.760 nan 8.250 nan 0.000 0.439 620 S N -0.909 114.721 115.700 -0.117 0.000 2.595 620 S HA 0.519 4.989 4.470 -0.000 0.000 0.270 620 S C -1.174 173.327 174.600 -0.164 0.000 1.145 620 S CA -1.078 57.053 58.200 -0.115 0.000 0.825 620 S CB 1.142 64.284 63.200 -0.097 0.000 1.107 620 S HN 0.039 nan 8.310 nan 0.000 0.461 621 I N 1.690 122.170 120.570 -0.149 0.000 2.512 621 I HA 0.457 4.627 4.170 -0.000 0.000 0.287 621 I C -1.415 174.572 176.117 -0.216 0.000 1.069 621 I CA -0.372 60.807 61.300 -0.201 0.000 1.056 621 I CB 1.965 39.851 38.000 -0.191 0.000 1.229 621 I HN 0.700 nan 8.210 nan 0.000 0.429 622 D N 4.062 124.322 120.400 -0.235 0.000 2.391 622 D HA 0.340 4.980 4.640 -0.000 0.000 0.245 622 D C 0.014 176.149 176.300 -0.275 0.000 1.069 622 D CA -0.265 53.607 54.000 -0.213 0.000 0.831 622 D CB 2.296 43.002 40.800 -0.157 0.000 1.204 622 D HN 0.462 nan 8.370 nan 0.000 0.503 623 T N 1.530 115.918 114.554 -0.277 0.000 3.092 623 T HA 0.052 4.402 4.350 -0.000 0.000 0.258 623 T C 1.791 176.334 174.700 -0.262 0.000 1.031 623 T CA -0.138 61.772 62.100 -0.317 0.000 0.925 623 T CB 0.276 68.950 68.868 -0.324 0.000 1.036 623 T HN 0.266 nan 8.240 nan 0.000 0.544 624 S N 2.191 117.774 115.700 -0.194 0.000 2.381 624 S HA -0.200 4.270 4.470 -0.000 0.000 0.230 624 S C 2.094 176.581 174.600 -0.188 0.000 1.052 624 S CA 1.321 59.424 58.200 -0.161 0.000 1.068 624 S CB -0.138 62.991 63.200 -0.119 0.000 0.918 624 S HN 0.499 nan 8.310 nan 0.000 0.448 625 E N 1.236 121.320 120.200 -0.192 0.000 2.072 625 E HA 0.045 4.395 4.350 -0.000 0.000 0.190 625 E C 2.462 178.897 176.600 -0.274 0.000 0.982 625 E CA 0.996 57.284 56.400 -0.187 0.000 0.803 625 E CB -0.654 28.962 29.700 -0.140 0.000 0.755 625 E HN 0.498 nan 8.360 nan 0.000 0.453 626 A N 1.957 124.547 122.820 -0.382 0.000 1.908 626 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 626 A C 2.053 179.000 177.584 -1.062 0.000 1.181 626 A CA 1.853 53.515 52.037 -0.625 0.000 0.627 626 A CB -0.468 18.135 19.000 -0.662 0.000 0.818 626 A HN 0.152 nan 8.150 nan 0.000 0.445 627 K N -0.213 119.635 120.400 -0.920 0.000 2.281 627 K HA -0.128 4.192 4.320 -0.000 0.000 0.203 627 K C 1.726 178.164 176.600 -0.269 0.000 1.046 627 K CA 1.503 57.415 56.287 -0.626 0.000 0.938 627 K CB -0.108 32.242 32.500 -0.249 0.000 0.737 627 K HN 0.470 nan 8.250 nan 0.000 0.458 628 K N 0.557 120.809 120.400 -0.247 0.000 2.365 628 K HA 0.043 4.363 4.320 -0.000 0.000 0.197 628 K C 0.170 176.702 176.600 -0.114 0.000 1.042 628 K CA 0.135 56.342 56.287 -0.133 0.000 0.987 628 K CB 0.358 32.789 32.500 -0.114 0.000 0.779 628 K HN -0.094 nan 8.250 nan 0.000 0.484 629 V N 3.701 123.524 119.914 -0.151 0.000 2.655 629 V HA 0.035 4.155 4.120 -0.000 0.000 0.300 629 V C -2.230 173.790 176.094 -0.123 0.000 1.044 629 V CA -1.547 60.680 62.300 -0.121 0.000 1.095 629 V CB 0.418 32.192 31.823 -0.082 0.000 0.952 629 V HN 0.048 nan 8.190 nan 0.000 0.485 630 P HA 0.226 nan 4.420 nan 0.000 0.267 630 P C 0.876 177.944 177.300 -0.387 0.000 1.205 630 P CA 1.232 64.145 63.100 -0.312 0.000 0.765 630 P CB 0.584 32.068 31.700 -0.360 0.000 0.828 631 G N 2.412 111.168 108.800 -0.072 0.000 2.162 631 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 631 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 631 G C 0.030 174.989 174.900 0.098 0.000 0.976 631 G CA -0.464 44.669 45.100 0.056 0.000 0.655 631 G HN 0.538 nan 8.290 nan 0.000 0.533 632 F N 1.177 121.105 119.950 -0.037 0.000 2.543 632 F HA 0.486 5.013 4.527 -0.000 0.000 0.375 632 F C 1.251 177.063 175.800 0.019 0.000 1.075 632 F CA 0.462 58.464 58.000 0.003 0.000 1.225 632 F CB 1.111 40.104 39.000 -0.012 0.000 1.099 632 F HN -0.097 nan 8.300 nan 0.000 0.561 633 V N 4.958 124.451 119.914 -0.701 0.000 2.490 633 V HA 0.058 4.178 4.120 -0.000 0.000 0.238 633 V C 0.503 176.126 176.094 -0.785 0.000 1.056 633 V CA 1.274 63.259 62.300 -0.526 0.000 1.075 633 V CB 0.263 31.913 31.823 -0.287 0.000 0.746 633 V HN 1.027 nan 8.190 nan 0.000 0.479 634 C N -2.138 116.519 119.300 -1.071 0.000 3.231 634 C HA 0.624 5.084 4.460 -0.000 0.000 0.343 634 C C -1.402 173.468 174.990 -0.200 0.000 1.349 634 C CA -1.460 57.205 59.018 -0.588 0.000 1.209 634 C CB 0.787 28.405 27.740 -0.203 0.000 1.475 634 C HN 0.339 nan 8.230 nan 0.000 0.460 635 F N 2.975 122.938 119.950 0.023 0.000 2.477 635 F HA 0.815 5.342 4.527 -0.000 0.000 0.335 635 F C -0.272 175.505 175.800 -0.038 0.000 1.130 635 F CA -1.002 57.044 58.000 0.076 0.000 0.948 635 F CB 1.009 40.120 39.000 0.186 0.000 1.154 635 F HN 0.859 nan 8.300 nan 0.000 0.439 636 I N 3.120 123.207 120.570 -0.805 0.000 2.648 636 I HA 0.876 5.046 4.170 -0.000 0.000 0.304 636 I C -0.705 174.636 176.117 -1.294 0.000 1.009 636 I CA -0.536 60.332 61.300 -0.720 0.000 1.114 636 I CB 1.941 39.728 38.000 -0.354 0.000 1.293 636 I HN 0.651 nan 8.210 nan 0.000 0.449 637 S N 2.963 118.153 115.700 -0.850 0.000 2.840 637 S HA 0.696 5.166 4.470 -0.000 0.000 0.307 637 S C 0.808 175.216 174.600 -0.321 0.000 1.180 637 S CA -0.269 57.432 58.200 -0.831 0.000 0.846 637 S CB 1.038 64.062 63.200 -0.293 0.000 1.233 637 S HN 0.957 nan 8.310 nan 0.000 0.548 638 A N 0.791 123.590 122.820 -0.035 0.000 1.986 638 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 638 A C 1.525 179.164 177.584 0.091 0.000 1.171 638 A CA 2.035 54.169 52.037 0.161 0.000 0.640 638 A CB -1.283 17.803 19.000 0.145 0.000 0.811 638 A HN 0.807 nan 8.150 nan 0.000 0.451 639 D N 0.032 120.456 120.400 0.041 0.000 2.309 639 D HA -0.101 4.539 4.640 -0.000 0.000 0.212 639 D C 0.762 177.092 176.300 0.049 0.000 0.968 639 D CA 1.071 55.096 54.000 0.042 0.000 0.882 639 D CB -0.192 40.631 40.800 0.037 0.000 0.918 639 D HN 0.510 nan 8.370 nan 0.000 0.503 640 D N 0.352 120.781 120.400 0.048 0.000 2.346 640 D HA -0.027 4.613 4.640 -0.000 0.000 0.206 640 D C 1.055 177.424 176.300 0.114 0.000 1.001 640 D CA 0.050 54.096 54.000 0.078 0.000 0.871 640 D CB 0.946 41.771 40.800 0.042 0.000 0.943 640 D HN 0.093 nan 8.370 nan 0.000 0.518 641 V N 1.745 121.728 119.914 0.114 0.000 2.540 641 V HA 0.045 4.165 4.120 -0.000 0.000 0.297 641 V C -1.206 174.886 176.094 -0.003 0.000 1.024 641 V CA -0.822 61.511 62.300 0.055 0.000 1.105 641 V CB 1.170 33.020 31.823 0.045 0.000 0.938 641 V HN -0.103 nan 8.190 nan 0.000 0.482 642 P HA 0.165 nan 4.420 nan 0.000 0.221 642 P C 1.073 178.312 177.300 -0.103 0.000 1.155 642 P CA 1.450 64.483 63.100 -0.112 0.000 0.812 642 P CB 0.369 31.865 31.700 -0.340 0.000 0.801 643 G N 0.024 108.746 108.800 -0.129 0.000 2.756 643 G HA2 0.186 4.146 3.960 -0.000 0.000 0.203 643 G HA3 0.186 4.146 3.960 -0.000 0.000 0.203 643 G C -0.175 174.684 174.900 -0.067 0.000 2.015 643 G CA 0.238 45.280 45.100 -0.095 0.000 0.835 643 G HN 0.368 nan 8.290 nan 0.000 0.648 644 S N -0.754 114.900 115.700 -0.077 0.000 2.532 644 S HA 0.387 4.857 4.470 -0.000 0.000 0.301 644 S C 0.079 174.636 174.600 -0.072 0.000 1.083 644 S CA -0.590 57.570 58.200 -0.068 0.000 1.025 644 S CB 1.761 64.913 63.200 -0.081 0.000 1.056 644 S HN 0.346 nan 8.310 nan 0.000 0.494 645 N N 2.448 121.119 118.700 -0.048 0.000 2.230 645 N HA 0.258 4.998 4.740 -0.000 0.000 0.202 645 N C -0.023 175.451 175.510 -0.060 0.000 1.119 645 N CA -0.177 52.850 53.050 -0.038 0.000 0.851 645 N CB -0.113 38.385 38.487 0.019 0.000 0.990 645 N HN 0.746 nan 8.380 nan 0.000 0.497 646 I N -2.369 118.149 120.570 -0.087 0.000 2.339 646 I HA 0.558 4.728 4.170 -0.000 0.000 0.290 646 I C 0.082 176.079 176.117 -0.199 0.000 0.994 646 I CA -0.509 60.728 61.300 -0.104 0.000 1.191 646 I CB 1.673 39.628 38.000 -0.076 0.000 1.343 646 I HN -0.207 nan 8.210 nan 0.000 0.458 647 T N 3.513 117.923 114.554 -0.241 0.000 2.550 647 T HA 0.846 5.196 4.350 -0.000 0.000 0.256 647 T C -0.129 174.347 174.700 -0.373 0.000 0.866 647 T CA 0.123 61.946 62.100 -0.462 0.000 1.163 647 T CB 0.979 69.558 68.868 -0.480 0.000 1.460 647 T HN 1.670 nan 8.240 nan 0.000 0.498 648 G N 0.305 108.854 108.800 -0.418 0.000 2.712 648 G HA2 -0.115 3.844 3.960 -0.000 0.000 0.686 648 G HA3 -0.115 3.844 3.960 -0.000 0.000 0.686 648 G C 0.637 175.596 174.900 0.098 0.000 1.321 648 G CA -0.144 44.941 45.100 -0.024 0.000 0.813 648 G HN 0.809 nan 8.290 nan 0.000 0.599 649 I N -0.275 120.455 120.570 0.266 0.000 2.361 649 I HA -0.165 4.005 4.170 -0.000 0.000 0.251 649 I C 2.026 178.218 176.117 0.125 0.000 1.133 649 I CA 1.813 63.270 61.300 0.263 0.000 1.413 649 I CB -0.121 37.986 38.000 0.178 0.000 1.073 649 I HN 0.506 nan 8.210 nan 0.000 0.424 650 C N 0.840 120.171 119.300 0.052 0.000 2.647 650 C HA 0.280 4.740 4.460 -0.000 0.000 0.296 650 C C 0.881 175.871 174.990 0.000 0.000 1.403 650 C CA -0.665 58.365 59.018 0.021 0.000 1.781 650 C CB -2.140 25.595 27.740 -0.008 0.000 2.464 650 C HN 0.534 nan 8.230 nan 0.000 0.559 651 N N 1.552 120.235 118.700 -0.028 0.000 2.701 651 N HA -0.197 4.543 4.740 -0.000 0.000 0.250 651 N C 0.541 176.032 175.510 -0.031 0.000 1.046 651 N CA 0.847 53.859 53.050 -0.063 0.000 0.733 651 N CB -0.394 38.064 38.487 -0.049 0.000 0.973 651 N HN 0.577 nan 8.380 nan 0.000 0.541 652 D N -0.005 120.381 120.400 -0.022 0.000 2.240 652 D HA -0.030 4.610 4.640 -0.000 0.000 0.206 652 D C 0.873 177.174 176.300 0.002 0.000 0.963 652 D CA 0.935 54.938 54.000 0.006 0.000 0.863 652 D CB 0.368 41.164 40.800 -0.007 0.000 0.973 652 D HN 0.738 nan 8.370 nan 0.000 0.501 653 E N -0.158 120.025 120.200 -0.028 0.000 2.339 653 E HA 0.371 4.721 4.350 -0.000 0.000 0.262 653 E C -0.555 176.031 176.600 -0.023 0.000 0.934 653 E CA -0.773 55.613 56.400 -0.023 0.000 0.802 653 E CB 1.472 31.145 29.700 -0.045 0.000 1.275 653 E HN -0.155 nan 8.360 nan 0.000 0.427 654 T N -1.261 113.314 114.554 0.036 0.000 2.913 654 T HA 0.218 4.568 4.350 -0.000 0.000 0.287 654 T C 1.116 175.811 174.700 -0.008 0.000 1.008 654 T CA -0.748 61.382 62.100 0.050 0.000 1.067 654 T CB 1.444 70.409 68.868 0.162 0.000 0.996 654 T HN 0.312 nan 8.240 nan 0.000 0.513 655 V N 0.202 120.067 119.914 -0.081 0.000 2.346 655 V HA 0.160 4.280 4.120 -0.000 0.000 0.244 655 V C 0.156 176.045 176.094 -0.341 0.000 1.037 655 V CA 1.144 63.286 62.300 -0.264 0.000 1.029 655 V CB -0.630 30.992 31.823 -0.335 0.000 0.663 655 V HN 0.780 nan 8.190 nan 0.000 0.454 656 F N -0.791 119.178 119.950 0.032 0.000 2.540 656 F HA 0.743 5.270 4.527 -0.000 0.000 0.317 656 F C 0.458 176.281 175.800 0.038 0.000 1.104 656 F CA -1.363 56.655 58.000 0.030 0.000 0.913 656 F CB 1.047 40.038 39.000 -0.015 0.000 1.170 656 F HN -0.012 nan 8.300 nan 0.000 0.450 657 A N 2.997 125.939 122.820 0.204 0.000 2.586 657 A HA 0.262 4.582 4.320 -0.000 0.000 0.231 657 A C -0.092 177.527 177.584 0.058 0.000 1.055 657 A CA 0.203 52.235 52.037 -0.008 0.000 0.756 657 A CB -0.002 18.811 19.000 -0.311 0.000 0.988 657 A HN 0.742 nan 8.150 nan 0.000 0.509 658 K N 1.293 121.727 120.400 0.057 0.000 2.640 658 K HA 0.348 4.668 4.320 -0.000 0.000 0.245 658 K C -0.658 175.976 176.600 0.056 0.000 0.962 658 K CA -0.395 55.930 56.287 0.063 0.000 0.896 658 K CB 0.712 33.256 32.500 0.074 0.000 1.147 658 K HN 0.788 nan 8.250 nan 0.000 0.445 659 D N 0.890 121.316 120.400 0.043 0.000 2.845 659 D HA -0.227 4.413 4.640 -0.000 0.000 0.167 659 D C -0.479 175.856 176.300 0.058 0.000 1.672 659 D CA 1.717 55.742 54.000 0.043 0.000 1.924 659 D CB -0.242 40.584 40.800 0.044 0.000 1.372 659 D HN 0.526 nan 8.370 nan 0.000 0.423 660 K N 0.136 120.582 120.400 0.077 0.000 2.328 660 K HA 0.643 4.963 4.320 -0.000 0.000 0.246 660 K C -0.321 176.346 176.600 0.110 0.000 0.955 660 K CA -0.856 55.502 56.287 0.119 0.000 0.817 660 K CB 3.385 35.985 32.500 0.166 0.000 1.208 660 K HN 0.014 nan 8.250 nan 0.000 0.432 661 V N -1.542 118.478 119.914 0.178 0.000 2.555 661 V HA 0.541 4.661 4.120 -0.000 0.000 0.302 661 V C 0.244 176.579 176.094 0.402 0.000 1.038 661 V CA -0.606 61.822 62.300 0.213 0.000 0.887 661 V CB 1.377 33.291 31.823 0.152 0.000 0.991 661 V HN 0.982 nan 8.190 nan 0.000 0.434 662 T N -1.111 113.768 114.554 0.541 0.000 3.252 662 T HA 0.483 4.833 4.350 -0.000 0.000 0.286 662 T C 0.089 174.814 174.700 0.042 0.000 1.013 662 T CA 0.277 62.473 62.100 0.160 0.000 0.914 662 T CB -0.695 68.185 68.868 0.020 0.000 1.131 662 T HN 2.003 nan 8.240 nan 0.000 0.529 663 C N -1.202 118.170 119.300 0.120 0.000 2.969 663 C HA 0.582 5.042 4.460 -0.000 0.000 0.338 663 C C -0.754 174.293 174.990 0.096 0.000 1.217 663 C CA -1.173 57.880 59.018 0.057 0.000 1.146 663 C CB 0.582 28.325 27.740 0.005 0.000 1.366 663 C HN 0.143 nan 8.230 nan 0.000 0.488 664 V N 3.332 123.281 119.914 0.058 0.000 2.421 664 V HA 0.556 4.676 4.120 -0.000 0.000 0.271 664 V C 1.516 177.666 176.094 0.095 0.000 1.031 664 V CA 2.438 64.774 62.300 0.060 0.000 1.032 664 V CB 0.350 32.193 31.823 0.033 0.000 1.009 664 V HN 2.288 nan 8.190 nan 0.000 0.477 665 G N 3.642 112.519 108.800 0.129 0.000 2.260 665 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.179 665 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.179 665 G C 0.202 175.218 174.900 0.193 0.000 1.002 665 G CA -0.021 45.163 45.100 0.139 0.000 0.677 665 G HN 0.819 nan 8.290 nan 0.000 0.486 666 H N 1.048 120.172 119.070 0.090 0.000 3.046 666 H HA 0.374 4.930 4.556 -0.000 0.000 0.303 666 H C 0.805 176.214 175.328 0.136 0.000 1.002 666 H CA -0.491 55.617 56.048 0.101 0.000 1.460 666 H CB 0.187 30.009 29.762 0.101 0.000 1.493 666 H HN 0.229 nan 8.280 nan 0.000 0.559 667 I N 7.701 128.525 120.570 0.424 0.000 2.578 667 I HA -0.162 4.008 4.170 -0.000 0.000 0.286 667 I C 1.017 177.310 176.117 0.293 0.000 1.126 667 I CA 0.373 61.864 61.300 0.317 0.000 1.380 667 I CB 0.443 38.606 38.000 0.272 0.000 1.408 667 I HN 0.733 nan 8.210 nan 0.000 0.532 668 I N 5.013 125.712 120.570 0.214 0.000 2.628 668 I HA 0.177 4.347 4.170 -0.000 0.000 0.255 668 I C 1.310 177.483 176.117 0.094 0.000 1.119 668 I CA 0.459 61.843 61.300 0.139 0.000 1.448 668 I CB -0.013 38.065 38.000 0.130 0.000 1.133 668 I HN 0.736 nan 8.210 nan 0.000 0.438 669 G N -0.135 108.684 108.800 0.032 0.000 2.570 669 G HA2 0.733 4.693 3.960 -0.000 0.000 0.310 669 G HA3 0.733 4.693 3.960 -0.000 0.000 0.310 669 G C -2.055 172.680 174.900 -0.275 0.000 1.266 669 G CA 0.146 44.879 45.100 -0.612 0.000 0.825 669 G HN 0.219 nan 8.290 nan 0.000 0.483 670 A N -1.509 120.965 122.820 -0.576 0.000 2.587 670 A HA 0.824 5.143 4.320 -0.000 0.000 0.293 670 A C -1.595 175.910 177.584 -0.133 0.000 1.087 670 A CA -0.547 51.409 52.037 -0.135 0.000 0.692 670 A CB 1.941 20.973 19.000 0.053 0.000 1.291 670 A HN 1.566 nan 8.150 nan 0.000 0.407 671 V N 1.146 121.125 119.914 0.108 0.000 2.555 671 V HA 0.602 4.722 4.120 -0.000 0.000 0.302 671 V C -0.783 175.376 176.094 0.107 0.000 1.038 671 V CA -0.359 62.075 62.300 0.224 0.000 0.887 671 V CB 1.836 33.876 31.823 0.362 0.000 0.991 671 V HN 0.752 nan 8.190 nan 0.000 0.434 672 V N 5.133 125.047 119.914 0.001 0.000 2.448 672 V HA 0.945 5.065 4.120 -0.000 0.000 0.295 672 V C 0.188 176.214 176.094 -0.113 0.000 1.025 672 V CA 0.023 62.290 62.300 -0.055 0.000 0.859 672 V CB 1.221 32.983 31.823 -0.101 0.000 0.988 672 V HN 1.080 nan 8.190 nan 0.000 0.431 673 A N 3.231 126.053 122.820 0.003 0.000 2.535 673 A HA 0.675 4.995 4.320 -0.000 0.000 0.296 673 A C 0.616 178.245 177.584 0.076 0.000 1.248 673 A CA 0.109 52.174 52.037 0.046 0.000 0.686 673 A CB 1.198 20.308 19.000 0.183 0.000 1.315 673 A HN 0.691 nan 8.150 nan 0.000 0.460 674 D N -0.461 120.017 120.400 0.131 0.000 2.194 674 D HA 0.016 4.656 4.640 -0.000 0.000 0.204 674 D C 0.752 177.101 176.300 0.081 0.000 0.964 674 D CA 1.939 56.005 54.000 0.111 0.000 0.846 674 D CB -0.275 40.611 40.800 0.144 0.000 0.962 674 D HN 0.758 nan 8.370 nan 0.000 0.490 675 T N -4.346 110.261 114.554 0.089 0.000 2.896 675 T HA 0.454 4.804 4.350 -0.000 0.000 0.297 675 T C -2.477 172.234 174.700 0.019 0.000 1.108 675 T CA -1.725 60.368 62.100 -0.013 0.000 1.004 675 T CB 2.539 71.296 68.868 -0.186 0.000 1.159 675 T HN -0.384 nan 8.240 nan 0.000 0.499 676 P HA -0.022 nan 4.420 nan 0.000 0.217 676 P C 1.118 178.435 177.300 0.029 0.000 1.150 676 P CA 1.026 64.145 63.100 0.032 0.000 0.832 676 P CB 0.097 31.811 31.700 0.024 0.000 0.787 677 E N -1.586 118.597 120.200 -0.029 0.000 2.110 677 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 677 E C 1.899 178.544 176.600 0.075 0.000 0.988 677 E CA 1.281 57.667 56.400 -0.024 0.000 0.804 677 E CB -0.886 28.752 29.700 -0.105 0.000 0.745 677 E HN 0.531 nan 8.360 nan 0.000 0.458 678 H N -1.036 118.071 119.070 0.061 0.000 2.436 678 H HA -0.015 4.541 4.556 -0.000 0.000 0.294 678 H C 2.142 177.534 175.328 0.106 0.000 1.048 678 H CA 1.269 57.365 56.048 0.081 0.000 1.353 678 H CB 0.183 29.999 29.762 0.091 0.000 1.414 678 H HN 0.259 nan 8.280 nan 0.000 0.536 679 T N -0.998 113.688 114.554 0.219 0.000 2.821 679 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 679 T C 2.000 176.794 174.700 0.157 0.000 1.046 679 T CA 1.386 63.599 62.100 0.189 0.000 1.139 679 T CB -0.218 68.736 68.868 0.144 0.000 0.871 679 T HN 0.314 nan 8.240 nan 0.000 0.454 680 Q N 0.962 120.833 119.800 0.119 0.000 2.084 680 Q HA -0.092 4.248 4.340 -0.000 0.000 0.202 680 Q C 2.628 178.679 176.000 0.084 0.000 0.978 680 Q CA 1.303 57.158 55.803 0.087 0.000 0.844 680 Q CB -0.121 28.646 28.738 0.049 0.000 0.898 680 Q HN 0.518 nan 8.270 nan 0.000 0.426 681 R N -0.416 120.143 120.500 0.098 0.000 2.073 681 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 681 R C 2.336 178.663 176.300 0.045 0.000 1.134 681 R CA 1.158 57.299 56.100 0.068 0.000 0.952 681 R CB -0.463 29.887 30.300 0.083 0.000 0.850 681 R HN 0.362 nan 8.270 nan 0.000 0.433 682 A N 1.229 124.101 122.820 0.088 0.000 1.902 682 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 682 A C 2.366 179.988 177.584 0.064 0.000 1.181 682 A CA 1.745 53.816 52.037 0.056 0.000 0.623 682 A CB -0.588 18.579 19.000 0.278 0.000 0.818 682 A HN 0.412 nan 8.150 nan 0.000 0.443 683 A N -0.701 122.192 122.820 0.123 0.000 1.933 683 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 683 A C 2.055 179.678 177.584 0.065 0.000 1.175 683 A CA 1.641 53.753 52.037 0.124 0.000 0.628 683 A CB -0.532 18.551 19.000 0.139 0.000 0.814 683 A HN 0.662 nan 8.150 nan 0.000 0.444 684 Q N -0.946 118.880 119.800 0.042 0.000 2.436 684 Q HA -0.002 4.338 4.340 -0.000 0.000 0.209 684 Q C 1.626 177.614 176.000 -0.020 0.000 0.965 684 Q CA 0.630 56.445 55.803 0.020 0.000 0.910 684 Q CB -0.147 28.602 28.738 0.019 0.000 0.980 684 Q HN 0.652 nan 8.270 nan 0.000 0.491 685 G N -0.079 108.692 108.800 -0.049 0.000 3.233 685 G HA2 0.160 4.120 3.960 -0.000 0.000 0.227 685 G HA3 0.160 4.120 3.960 -0.000 0.000 0.227 685 G C 0.072 174.880 174.900 -0.154 0.000 1.175 685 G CA -0.137 44.898 45.100 -0.107 0.000 0.781 685 G HN 0.044 nan 8.290 nan 0.000 0.542 686 V N 1.357 121.193 119.914 -0.129 0.000 2.259 686 V HA 0.259 4.379 4.120 -0.000 0.000 0.267 686 V C 0.250 176.248 176.094 -0.160 0.000 1.051 686 V CA -1.002 61.172 62.300 -0.209 0.000 0.830 686 V CB 0.916 32.608 31.823 -0.218 0.000 1.080 686 V HN 0.234 nan 8.190 nan 0.000 0.467 687 K N 5.073 125.373 120.400 -0.168 0.000 2.249 687 K HA 0.595 4.915 4.320 -0.000 0.000 0.280 687 K C -0.897 175.590 176.600 -0.188 0.000 1.033 687 K CA -0.359 55.846 56.287 -0.137 0.000 0.946 687 K CB 0.800 33.232 32.500 -0.114 0.000 1.005 687 K HN 0.573 nan 8.250 nan 0.000 0.469 688 I N 3.417 123.857 120.570 -0.216 0.000 2.466 688 I HA 0.166 4.336 4.170 -0.000 0.000 0.289 688 I C -0.227 175.579 176.117 -0.519 0.000 1.026 688 I CA -0.943 60.120 61.300 -0.395 0.000 1.078 688 I CB 2.153 39.852 38.000 -0.501 0.000 1.249 688 I HN 0.655 nan 8.210 nan 0.000 0.429 689 T N 1.985 116.277 114.554 -0.436 0.000 2.829 689 T HA 0.655 5.005 4.350 -0.000 0.000 0.282 689 T C -0.749 173.748 174.700 -0.339 0.000 0.990 689 T CA -0.546 61.381 62.100 -0.288 0.000 1.028 689 T CB 0.997 69.784 68.868 -0.134 0.000 0.951 689 T HN 0.276 nan 8.240 nan 0.000 0.460 690 Y N 0.248 120.543 120.300 -0.008 0.000 2.621 690 Y HA 0.634 5.184 4.550 -0.000 0.000 0.334 690 Y C 0.518 176.410 175.900 -0.013 0.000 1.074 690 Y CA -1.396 56.700 58.100 -0.007 0.000 1.149 690 Y CB 1.831 40.292 38.460 0.002 0.000 1.302 690 Y HN 0.745 nan 8.280 nan 0.000 0.501 691 E N 1.404 121.709 120.200 0.174 0.000 2.460 691 E HA 0.165 4.515 4.350 -0.000 0.000 0.249 691 E C -1.286 175.330 176.600 0.026 0.000 0.962 691 E CA -0.415 56.026 56.400 0.068 0.000 0.787 691 E CB 0.709 30.428 29.700 0.032 0.000 1.341 691 E HN 0.608 nan 8.360 nan 0.000 0.407 692 E N 3.518 123.723 120.200 0.007 0.000 2.414 692 E HA 0.098 4.448 4.350 -0.000 0.000 0.263 692 E C -0.210 176.337 176.600 -0.089 0.000 1.000 692 E CA 0.454 56.827 56.400 -0.044 0.000 0.914 692 E CB 0.953 30.633 29.700 -0.034 0.000 0.948 692 E HN 0.491 nan 8.360 nan 0.000 0.444 693 L N 4.177 125.293 121.223 -0.179 0.000 2.322 693 L HA 0.425 4.765 4.340 -0.000 0.000 0.269 693 L C -2.173 174.617 176.870 -0.133 0.000 1.012 693 L CA -2.364 52.320 54.840 -0.260 0.000 0.815 693 L CB 1.206 42.867 42.059 -0.664 0.000 1.295 693 L HN 0.281 nan 8.230 nan 0.000 0.438 694 P HA 0.169 nan 4.420 nan 0.000 0.268 694 P C -1.195 176.208 177.300 0.172 0.000 1.208 694 P CA -0.084 63.037 63.100 0.035 0.000 0.777 694 P CB 0.684 32.398 31.700 0.023 0.000 0.875 695 A N 2.361 125.247 122.820 0.110 0.000 2.423 695 A HA 0.757 5.077 4.320 -0.000 0.000 0.304 695 A C -0.978 176.602 177.584 -0.005 0.000 1.104 695 A CA -0.707 51.389 52.037 0.098 0.000 0.757 695 A CB 1.003 20.046 19.000 0.072 0.000 1.313 695 A HN 0.449 nan 8.150 nan 0.000 0.423 696 I N 2.643 123.174 120.570 -0.065 0.000 2.411 696 I HA 0.246 4.416 4.170 -0.000 0.000 0.284 696 I C -0.007 176.048 176.117 -0.103 0.000 1.012 696 I CA -0.356 60.888 61.300 -0.093 0.000 1.119 696 I CB 1.312 39.232 38.000 -0.134 0.000 1.261 696 I HN 0.570 nan 8.210 nan 0.000 0.448 697 I N 2.792 123.307 120.570 -0.091 0.000 2.900 697 I HA 0.044 4.214 4.170 -0.000 0.000 0.251 697 I C 1.502 177.551 176.117 -0.115 0.000 1.102 697 I CA 0.988 62.224 61.300 -0.107 0.000 1.457 697 I CB -0.670 37.273 38.000 -0.096 0.000 1.285 697 I HN 0.497 nan 8.210 nan 0.000 0.459 698 T N -0.745 113.754 114.554 -0.092 0.000 2.874 698 T HA 0.450 4.800 4.350 -0.000 0.000 0.281 698 T C 1.444 176.113 174.700 -0.051 0.000 0.994 698 T CA -0.462 61.594 62.100 -0.075 0.000 1.015 698 T CB 1.655 70.481 68.868 -0.070 0.000 1.028 698 T HN 0.083 nan 8.240 nan 0.000 0.523 699 I N 0.438 121.002 120.570 -0.010 0.000 2.335 699 I HA -0.160 4.010 4.170 -0.000 0.000 0.251 699 I C 2.482 178.588 176.117 -0.019 0.000 1.129 699 I CA 1.437 62.754 61.300 0.028 0.000 1.402 699 I CB -0.425 37.628 38.000 0.088 0.000 1.069 699 I HN 0.715 nan 8.210 nan 0.000 0.424 700 E N 0.696 120.863 120.200 -0.055 0.000 2.204 700 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 700 E C 1.643 178.201 176.600 -0.069 0.000 0.989 700 E CA 0.927 57.281 56.400 -0.076 0.000 0.824 700 E CB -0.100 29.553 29.700 -0.078 0.000 0.756 700 E HN 0.418 nan 8.360 nan 0.000 0.477 701 D N 0.080 120.436 120.400 -0.073 0.000 2.103 701 D HA -0.071 4.569 4.640 -0.000 0.000 0.199 701 D C 1.886 178.113 176.300 -0.123 0.000 0.978 701 D CA 1.416 55.365 54.000 -0.085 0.000 0.829 701 D CB -0.412 40.337 40.800 -0.085 0.000 0.981 701 D HN 0.191 nan 8.370 nan 0.000 0.464 702 A N 0.837 123.571 122.820 -0.143 0.000 1.908 702 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 702 A C 2.365 179.733 177.584 -0.360 0.000 1.181 702 A CA 1.023 52.895 52.037 -0.273 0.000 0.627 702 A CB -0.785 18.087 19.000 -0.213 0.000 0.818 702 A HN 0.209 nan 8.150 nan 0.000 0.445 703 I N -1.008 119.504 120.570 -0.097 0.000 2.315 703 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 703 I C 2.581 178.701 176.117 0.006 0.000 1.117 703 I CA 1.504 62.857 61.300 0.089 0.000 1.404 703 I CB -0.224 37.830 38.000 0.091 0.000 1.071 703 I HN 0.332 nan 8.210 nan 0.000 0.419 704 K N 0.708 121.076 120.400 -0.053 0.000 2.103 704 K HA -0.085 4.235 4.320 -0.000 0.000 0.204 704 K C 1.409 177.969 176.600 -0.066 0.000 1.052 704 K CA 1.020 57.280 56.287 -0.045 0.000 0.945 704 K CB 0.072 32.542 32.500 -0.049 0.000 0.722 704 K HN 0.316 nan 8.250 nan 0.000 0.443 705 N N 1.444 120.071 118.700 -0.122 0.000 2.322 705 N HA -0.084 4.656 4.740 -0.000 0.000 0.194 705 N C -0.377 175.018 175.510 -0.192 0.000 1.126 705 N CA 0.184 53.153 53.050 -0.134 0.000 0.845 705 N CB 0.071 38.473 38.487 -0.141 0.000 0.976 705 N HN 0.194 nan 8.380 nan 0.000 0.475 706 N N 0.909 119.459 118.700 -0.249 0.000 2.696 706 N HA -0.204 4.536 4.740 -0.000 0.000 0.256 706 N C -1.197 173.977 175.510 -0.560 0.000 1.031 706 N CA 0.323 53.184 53.050 -0.315 0.000 0.730 706 N CB -1.221 37.252 38.487 -0.024 0.000 0.894 706 N HN -0.005 nan 8.380 nan 0.000 0.544 707 S N 1.573 116.718 115.700 -0.925 0.000 2.512 707 S HA 0.655 5.125 4.470 -0.000 0.000 0.291 707 S C -0.989 173.076 174.600 -0.893 0.000 1.151 707 S CA -0.564 57.221 58.200 -0.691 0.000 1.120 707 S CB -0.238 62.688 63.200 -0.458 0.000 1.029 707 S HN 0.314 nan 8.310 nan 0.000 0.485 708 F N 2.376 122.236 119.950 -0.150 0.000 2.620 708 F HA 0.507 5.034 4.527 -0.000 0.000 0.320 708 F C -0.787 174.897 175.800 -0.194 0.000 1.069 708 F CA -1.259 56.660 58.000 -0.134 0.000 0.953 708 F CB 0.963 39.942 39.000 -0.035 0.000 1.322 708 F HN 0.294 nan 8.300 nan 0.000 0.479 709 Y N 1.203 121.620 120.300 0.196 0.000 2.367 709 Y HA 0.522 5.072 4.550 -0.000 0.000 0.342 709 Y C 0.773 176.708 175.900 0.059 0.000 0.979 709 Y CA -0.202 57.951 58.100 0.088 0.000 1.161 709 Y CB 0.891 39.384 38.460 0.055 0.000 1.155 709 Y HN 0.858 nan 8.280 nan 0.000 0.503 710 G N 4.759 113.672 108.800 0.188 0.000 2.749 710 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.242 710 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.242 710 G C -2.693 172.236 174.900 0.049 0.000 1.364 710 G CA -0.904 44.251 45.100 0.091 0.000 0.888 710 G HN 0.537 nan 8.290 nan 0.000 0.566 711 P HA 0.373 nan 4.420 nan 0.000 0.281 711 P C -0.335 176.890 177.300 -0.125 0.000 1.281 711 P CA -0.601 62.466 63.100 -0.055 0.000 0.811 711 P CB 0.948 32.620 31.700 -0.046 0.000 1.154 712 E N 0.429 120.531 120.200 -0.162 0.000 2.415 712 E HA 0.103 4.453 4.350 -0.000 0.000 0.263 712 E C -0.484 176.013 176.600 -0.172 0.000 0.995 712 E CA -0.154 56.119 56.400 -0.212 0.000 0.915 712 E CB 0.099 29.683 29.700 -0.193 0.000 0.951 712 E HN 0.283 nan 8.360 nan 0.000 0.449 713 L N 4.398 125.501 121.223 -0.201 0.000 2.357 713 L HA 0.504 4.844 4.340 -0.000 0.000 0.273 713 L C 0.184 176.994 176.870 -0.099 0.000 1.080 713 L CA -0.424 54.288 54.840 -0.213 0.000 0.803 713 L CB 1.027 42.912 42.059 -0.289 0.000 1.174 713 L HN 0.526 nan 8.230 nan 0.000 0.443 714 K N 2.677 123.082 120.400 0.008 0.000 2.562 714 K HA 0.628 4.948 4.320 -0.000 0.000 0.267 714 K C -1.910 174.841 176.600 0.252 0.000 0.938 714 K CA -0.564 55.789 56.287 0.110 0.000 0.840 714 K CB 2.301 34.840 32.500 0.066 0.000 1.390 714 K HN 0.564 nan 8.250 nan 0.000 0.428 715 I N 2.666 123.361 120.570 0.208 0.000 2.500 715 I HA 0.295 4.465 4.170 -0.000 0.000 0.286 715 I C -1.123 175.108 176.117 0.190 0.000 1.063 715 I CA -0.570 60.857 61.300 0.211 0.000 1.062 715 I CB 2.096 40.211 38.000 0.192 0.000 1.223 715 I HN 0.636 nan 8.210 nan 0.000 0.435 716 E N 6.759 127.052 120.200 0.155 0.000 2.248 716 E HA 0.558 4.908 4.350 -0.000 0.000 0.267 716 E C -1.381 175.285 176.600 0.110 0.000 0.877 716 E CA -0.828 55.648 56.400 0.127 0.000 0.759 716 E CB 2.444 32.202 29.700 0.097 0.000 1.182 716 E HN 0.500 nan 8.360 nan 0.000 0.418 717 K N 3.161 123.621 120.400 0.100 0.000 2.525 717 K HA 0.621 4.941 4.320 -0.000 0.000 0.254 717 K C -0.431 176.194 176.600 0.041 0.000 0.934 717 K CA 0.148 56.480 56.287 0.076 0.000 0.802 717 K CB 1.606 34.167 32.500 0.101 0.000 1.295 717 K HN 0.760 nan 8.250 nan 0.000 0.433 718 G N 2.281 111.095 108.800 0.023 0.000 2.587 718 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.212 718 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.212 718 G C -1.496 173.403 174.900 -0.002 0.000 1.327 718 G CA -0.219 44.881 45.100 0.000 0.000 0.898 718 G HN 0.648 nan 8.290 nan 0.000 0.551 719 D N 0.576 120.964 120.400 -0.020 0.000 2.440 719 D HA 0.473 5.113 4.640 -0.000 0.000 0.252 719 D C 1.759 178.041 176.300 -0.030 0.000 1.180 719 D CA -0.504 53.490 54.000 -0.010 0.000 0.894 719 D CB 1.070 41.865 40.800 -0.007 0.000 1.111 719 D HN 0.338 nan 8.370 nan 0.000 0.544 720 L N 3.078 124.299 121.223 -0.003 0.000 1.970 720 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 720 L C 2.535 179.459 176.870 0.090 0.000 1.071 720 L CA 1.187 56.026 54.840 -0.002 0.000 0.751 720 L CB -0.221 41.918 42.059 0.133 0.000 0.889 720 L HN 0.411 nan 8.230 nan 0.000 0.432 721 K N 0.529 121.009 120.400 0.133 0.000 2.089 721 K HA -0.293 4.027 4.320 -0.000 0.000 0.210 721 K C 2.217 178.876 176.600 0.099 0.000 1.048 721 K CA 1.971 58.345 56.287 0.145 0.000 0.926 721 K CB -0.060 32.491 32.500 0.084 0.000 0.714 721 K HN 0.131 nan 8.250 nan 0.000 0.448 722 K N -0.501 119.922 120.400 0.038 0.000 2.057 722 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 722 K C 2.119 178.706 176.600 -0.021 0.000 1.050 722 K CA 1.425 57.718 56.287 0.009 0.000 0.935 722 K CB -0.336 32.159 32.500 -0.007 0.000 0.715 722 K HN 0.331 nan 8.250 nan 0.000 0.439 723 G N 0.629 109.377 108.800 -0.088 0.000 2.446 723 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 723 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 723 G C 1.217 176.000 174.900 -0.196 0.000 1.168 723 G CA 0.778 45.760 45.100 -0.196 0.000 0.771 723 G HN 0.251 nan 8.290 nan 0.000 0.551 724 F N 1.100 121.030 119.950 -0.034 0.000 2.269 724 F HA 0.017 4.544 4.527 -0.000 0.000 0.301 724 F C 3.014 178.785 175.800 -0.048 0.000 1.082 724 F CA 1.122 59.095 58.000 -0.044 0.000 1.360 724 F CB -0.470 38.508 39.000 -0.037 0.000 1.041 724 F HN 0.184 nan 8.300 nan 0.000 0.512 725 S N -0.215 115.561 115.700 0.127 0.000 2.368 725 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 725 S C 1.939 176.550 174.600 0.019 0.000 1.029 725 S CA 1.422 59.658 58.200 0.060 0.000 0.988 725 S CB -0.213 63.012 63.200 0.042 0.000 0.838 725 S HN 0.475 nan 8.310 nan 0.000 0.462 726 E N 1.132 121.331 120.200 -0.003 0.000 2.208 726 E HA 0.124 4.474 4.350 -0.000 0.000 0.193 726 E C 0.853 177.433 176.600 -0.033 0.000 0.988 726 E CA 0.385 56.773 56.400 -0.021 0.000 0.828 726 E CB -0.164 29.516 29.700 -0.033 0.000 0.763 726 E HN 0.535 nan 8.360 nan 0.000 0.478 727 A N 1.848 124.646 122.820 -0.037 0.000 2.498 727 A HA -0.048 4.272 4.320 -0.000 0.000 0.239 727 A C 0.452 177.978 177.584 -0.096 0.000 1.068 727 A CA -0.134 51.861 52.037 -0.071 0.000 0.766 727 A CB 0.327 19.287 19.000 -0.066 0.000 1.003 727 A HN -0.015 nan 8.150 nan 0.000 0.497 728 D N 0.549 120.861 120.400 -0.146 0.000 2.162 728 D HA 0.001 4.641 4.640 -0.000 0.000 0.205 728 D C 0.077 176.241 176.300 -0.226 0.000 0.964 728 D CA 1.185 55.098 54.000 -0.145 0.000 0.847 728 D CB 0.030 40.760 40.800 -0.117 0.000 0.988 728 D HN 0.595 nan 8.370 nan 0.000 0.480 729 N N -0.023 118.403 118.700 -0.456 0.000 2.265 729 N HA 0.438 5.178 4.740 -0.000 0.000 0.300 729 N C -1.051 174.056 175.510 -0.671 0.000 1.148 729 N CA -0.438 52.247 53.050 -0.607 0.000 0.772 729 N CB 3.345 41.294 38.487 -0.897 0.000 1.434 729 N HN -0.242 nan 8.380 nan 0.000 0.481 730 V N 1.196 120.926 119.914 -0.307 0.000 2.623 730 V HA 0.415 4.535 4.120 -0.000 0.000 0.304 730 V C -0.435 175.720 176.094 0.103 0.000 1.054 730 V CA -0.741 61.535 62.300 -0.041 0.000 0.882 730 V CB 2.191 34.022 31.823 0.014 0.000 1.002 730 V HN 0.345 nan 8.190 nan 0.000 0.424 731 V N 3.017 123.109 119.914 0.297 0.000 2.680 731 V HA 0.663 4.783 4.120 -0.000 0.000 0.309 731 V C -0.076 176.169 176.094 0.252 0.000 1.052 731 V CA -0.258 62.221 62.300 0.298 0.000 0.908 731 V CB 2.452 34.534 31.823 0.431 0.000 1.001 731 V HN 0.891 nan 8.190 nan 0.000 0.431 732 S N 1.876 117.661 115.700 0.142 0.000 2.502 732 S HA 0.900 5.370 4.470 -0.000 0.000 0.304 732 S C 0.122 174.639 174.600 -0.137 0.000 1.097 732 S CA -0.228 57.969 58.200 -0.005 0.000 1.045 732 S CB 1.806 64.968 63.200 -0.063 0.000 1.019 732 S HN 1.173 nan 8.310 nan 0.000 0.481 733 G N 1.081 109.470 108.800 -0.685 0.000 2.749 733 G HA2 0.723 4.683 3.960 -0.000 0.000 0.300 733 G HA3 0.723 4.683 3.960 -0.000 0.000 0.300 733 G C -1.874 172.452 174.900 -0.957 0.000 1.352 733 G CA -0.520 44.125 45.100 -0.758 0.000 0.789 733 G HN 0.574 nan 8.290 nan 0.000 0.509 734 E N -1.144 118.827 120.200 -0.383 0.000 2.352 734 E HA 0.536 4.886 4.350 -0.000 0.000 0.280 734 E C -1.716 174.973 176.600 0.148 0.000 0.930 734 E CA -0.656 55.680 56.400 -0.107 0.000 0.765 734 E CB 2.241 31.905 29.700 -0.059 0.000 1.219 734 E HN 0.432 nan 8.360 nan 0.000 0.434 735 I N 1.532 122.249 120.570 0.245 0.000 2.865 735 I HA 0.462 4.632 4.170 -0.000 0.000 0.302 735 I C -1.297 174.996 176.117 0.293 0.000 1.140 735 I CA -0.934 60.531 61.300 0.275 0.000 1.021 735 I CB 1.408 39.580 38.000 0.285 0.000 1.233 735 I HN 0.476 nan 8.210 nan 0.000 0.427 736 Y N 4.332 124.716 120.300 0.139 0.000 2.391 736 Y HA 0.807 5.357 4.550 -0.000 0.000 0.341 736 Y C -1.364 174.611 175.900 0.125 0.000 0.965 736 Y CA -1.009 57.173 58.100 0.136 0.000 1.067 736 Y CB 1.623 40.145 38.460 0.103 0.000 1.199 736 Y HN 0.505 nan 8.280 nan 0.000 0.450 737 I N 6.314 126.573 120.570 -0.518 0.000 2.420 737 I HA 0.397 4.567 4.170 -0.000 0.000 0.282 737 I C 0.641 176.417 176.117 -0.569 0.000 1.019 737 I CA -0.928 60.165 61.300 -0.345 0.000 1.130 737 I CB 1.378 39.298 38.000 -0.134 0.000 1.262 737 I HN 0.900 nan 8.210 nan 0.000 0.454 738 G N 4.081 112.687 108.800 -0.324 0.000 2.554 738 G HA2 0.348 4.308 3.960 -0.000 0.000 0.238 738 G HA3 0.348 4.308 3.960 -0.000 0.000 0.238 738 G C 0.623 175.469 174.900 -0.090 0.000 1.259 738 G CA -0.029 45.001 45.100 -0.116 0.000 0.843 738 G HN 0.723 nan 8.290 nan 0.000 0.582 739 G N -0.704 108.090 108.800 -0.011 0.000 2.479 739 G HA2 0.462 4.422 3.960 -0.000 0.000 0.275 739 G HA3 0.462 4.422 3.960 -0.000 0.000 0.275 739 G C -0.056 174.815 174.900 -0.049 0.000 1.421 739 G CA 0.005 45.093 45.100 -0.019 0.000 1.059 739 G HN 0.807 nan 8.290 nan 0.000 0.535 740 Q N -1.756 118.001 119.800 -0.072 0.000 2.426 740 Q HA 0.380 4.720 4.340 -0.000 0.000 0.278 740 Q C -1.835 174.205 176.000 0.067 0.000 1.007 740 Q CA -0.735 55.034 55.803 -0.057 0.000 0.850 740 Q CB 2.073 30.540 28.738 -0.452 0.000 1.427 740 Q HN 0.497 nan 8.270 nan 0.000 0.391 741 E N 0.931 121.192 120.200 0.102 0.000 2.197 741 E HA 0.234 4.584 4.350 -0.000 0.000 0.281 741 E C -0.307 176.437 176.600 0.239 0.000 0.995 741 E CA 0.132 56.532 56.400 -0.000 0.000 0.808 741 E CB 0.766 30.149 29.700 -0.529 0.000 1.093 741 E HN 0.708 nan 8.360 nan 0.000 0.394 742 H N 4.078 123.182 119.070 0.056 0.000 2.353 742 H HA -0.067 4.489 4.556 -0.000 0.000 0.298 742 H C 0.166 175.310 175.328 -0.307 0.000 1.103 742 H CA 1.699 57.508 56.048 -0.397 0.000 1.293 742 H CB -0.336 29.048 29.762 -0.630 0.000 1.372 742 H HN 0.668 nan 8.280 nan 0.000 0.501 743 F N 0.193 119.871 119.950 -0.454 0.000 3.027 743 F HA -0.262 4.265 4.527 -0.000 0.000 0.276 743 F C -0.822 174.843 175.800 -0.224 0.000 0.967 743 F CA -0.478 57.341 58.000 -0.302 0.000 0.929 743 F CB -1.856 37.153 39.000 0.015 0.000 0.873 743 F HN 0.136 nan 8.300 nan 0.000 0.787 744 Y N -0.103 120.296 120.300 0.166 0.000 2.526 744 Y HA 0.221 4.771 4.550 -0.000 0.000 0.330 744 Y C 1.159 177.052 175.900 -0.011 0.000 1.156 744 Y CA -1.381 56.866 58.100 0.245 0.000 1.419 744 Y CB 0.051 38.561 38.460 0.083 0.000 1.250 744 Y HN 0.110 nan 8.280 nan 0.000 0.540 745 L N 1.269 122.635 121.223 0.238 0.000 2.127 745 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 745 L C 1.046 177.826 176.870 -0.149 0.000 1.089 745 L CA 1.591 56.539 54.840 0.181 0.000 0.757 745 L CB -0.543 41.749 42.059 0.389 0.000 0.899 745 L HN 0.865 nan 8.230 nan 0.000 0.434 746 E N 0.740 120.597 120.200 -0.571 0.000 2.081 746 E HA 0.164 4.514 4.350 -0.000 0.000 0.276 746 E C 0.063 176.379 176.600 -0.473 0.000 0.950 746 E CA -0.294 55.476 56.400 -1.051 0.000 0.776 746 E CB 0.982 29.794 29.700 -1.479 0.000 1.094 746 E HN 0.237 nan 8.360 nan 0.000 0.402 747 T N 1.504 115.892 114.554 -0.277 0.000 2.698 747 T HA 0.078 4.428 4.350 -0.000 0.000 0.295 747 T C 0.646 175.128 174.700 -0.363 0.000 1.007 747 T CA -0.499 61.495 62.100 -0.177 0.000 0.980 747 T CB 0.371 69.249 68.868 0.016 0.000 1.036 747 T HN 0.451 nan 8.240 nan 0.000 0.526 748 H N -0.868 118.058 119.070 -0.240 0.000 2.972 748 H HA 0.313 4.869 4.556 -0.000 0.000 0.343 748 H C 0.081 175.341 175.328 -0.113 0.000 1.054 748 H CA 0.165 56.086 56.048 -0.212 0.000 1.412 748 H CB 0.414 30.095 29.762 -0.135 0.000 1.385 748 H HN 0.728 nan 8.280 nan 0.000 0.600 749 C N 2.888 122.193 119.300 0.009 0.000 3.090 749 C HA 0.456 4.916 4.460 -0.000 0.000 0.347 749 C C -0.789 174.231 174.990 0.050 0.000 1.147 749 C CA -0.180 58.855 59.018 0.029 0.000 1.305 749 C CB 1.350 29.093 27.740 0.004 0.000 1.692 749 C HN 0.890 nan 8.230 nan 0.000 0.506 750 T N 5.384 119.982 114.554 0.072 0.000 3.032 750 T HA 0.525 4.875 4.350 -0.000 0.000 0.312 750 T C -1.186 173.583 174.700 0.115 0.000 1.078 750 T CA -0.191 61.962 62.100 0.088 0.000 1.028 750 T CB 1.083 69.990 68.868 0.065 0.000 1.091 750 T HN 0.570 nan 8.240 nan 0.000 0.457 751 I N 2.628 123.301 120.570 0.171 0.000 2.382 751 I HA 0.615 4.785 4.170 -0.000 0.000 0.285 751 I C 0.139 176.390 176.117 0.223 0.000 1.007 751 I CA -0.878 60.548 61.300 0.210 0.000 1.142 751 I CB 1.367 39.534 38.000 0.278 0.000 1.289 751 I HN 0.695 nan 8.210 nan 0.000 0.453 752 A N 6.306 129.220 122.820 0.158 0.000 2.276 752 A HA 0.649 4.969 4.320 -0.000 0.000 0.316 752 A C -0.718 176.949 177.584 0.137 0.000 1.229 752 A CA -0.517 51.592 52.037 0.120 0.000 0.851 752 A CB 1.421 20.472 19.000 0.084 0.000 1.165 752 A HN 0.512 nan 8.150 nan 0.000 0.513 753 V N 5.690 125.682 119.914 0.129 0.000 2.349 753 V HA 0.574 4.694 4.120 -0.000 0.000 0.284 753 V C -2.570 173.550 176.094 0.042 0.000 1.014 753 V CA -2.238 60.128 62.300 0.111 0.000 0.826 753 V CB 1.993 33.945 31.823 0.216 0.000 1.009 753 V HN 0.806 nan 8.190 nan 0.000 0.431 754 P HA 0.341 nan 4.420 nan 0.000 0.275 754 P C -0.517 176.770 177.300 -0.022 0.000 1.227 754 P CA -0.301 62.805 63.100 0.010 0.000 0.781 754 P CB 1.310 33.017 31.700 0.011 0.000 0.906 755 K N 1.542 121.935 120.400 -0.012 0.000 2.354 755 K HA 0.172 4.492 4.320 -0.000 0.000 0.194 755 K C 1.542 178.128 176.600 -0.023 0.000 1.038 755 K CA 0.672 56.945 56.287 -0.023 0.000 1.052 755 K CB -0.449 32.045 32.500 -0.010 0.000 0.861 755 K HN 0.824 nan 8.250 nan 0.000 0.535 756 G N 1.682 110.473 108.800 -0.014 0.000 2.234 756 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 756 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 756 G C -0.136 174.760 174.900 -0.006 0.000 0.987 756 G CA 0.273 45.363 45.100 -0.017 0.000 0.625 756 G HN 0.390 nan 8.290 nan 0.000 0.532 757 E N -0.234 119.966 120.200 -0.000 0.000 2.171 757 E HA 0.586 4.936 4.350 -0.000 0.000 0.271 757 E C 0.864 177.471 176.600 0.011 0.000 0.916 757 E CA -0.358 56.044 56.400 0.003 0.000 0.774 757 E CB 1.466 31.166 29.700 -0.000 0.000 1.128 757 E HN 1.421 nan 8.360 nan 0.000 0.403 758 A N 3.216 126.045 122.820 0.014 0.000 2.744 758 A HA -0.265 4.055 4.320 -0.000 0.000 0.300 758 A C 1.371 178.971 177.584 0.025 0.000 1.512 758 A CA 1.195 53.242 52.037 0.017 0.000 0.851 758 A CB -2.263 16.742 19.000 0.010 0.000 0.987 758 A HN 1.328 nan 8.150 nan 0.000 0.507 759 G N -2.037 106.788 108.800 0.042 0.000 2.155 759 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 759 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 759 G C -0.086 174.838 174.900 0.039 0.000 0.983 759 G CA 0.795 45.931 45.100 0.061 0.000 0.676 759 G HN 1.154 nan 8.290 nan 0.000 0.528 760 E N -0.392 119.822 120.200 0.023 0.000 2.414 760 E HA 0.418 4.768 4.350 -0.000 0.000 0.263 760 E C 0.407 177.014 176.600 0.012 0.000 1.000 760 E CA 0.514 56.920 56.400 0.010 0.000 0.914 760 E CB 0.601 30.303 29.700 0.003 0.000 0.948 760 E HN 0.477 nan 8.360 nan 0.000 0.444 761 M N 2.494 122.094 119.600 -0.000 0.000 2.371 761 M HA 0.221 4.701 4.480 -0.000 0.000 0.287 761 M C -1.614 174.663 176.300 -0.037 0.000 1.149 761 M CA -0.427 54.872 55.300 -0.002 0.000 0.929 761 M CB 2.137 34.748 32.600 0.017 0.000 1.683 761 M HN 0.410 nan 8.290 nan 0.000 0.470 762 E N 3.587 123.756 120.200 -0.051 0.000 2.166 762 E HA 0.600 4.950 4.350 -0.000 0.000 0.275 762 E C -1.967 174.514 176.600 -0.198 0.000 0.941 762 E CA -0.690 55.620 56.400 -0.150 0.000 0.784 762 E CB 1.486 31.100 29.700 -0.142 0.000 1.115 762 E HN 0.575 nan 8.360 nan 0.000 0.399 763 L N 4.631 125.673 121.223 -0.302 0.000 2.376 763 L HA 0.404 4.744 4.340 -0.000 0.000 0.275 763 L C -1.087 175.562 176.870 -0.368 0.000 0.987 763 L CA -0.293 54.412 54.840 -0.225 0.000 0.828 763 L CB 1.119 43.124 42.059 -0.090 0.000 1.249 763 L HN 0.512 nan 8.230 nan 0.000 0.409 764 F N 3.362 123.330 119.950 0.030 0.000 2.371 764 F HA 0.604 5.131 4.527 -0.000 0.000 0.363 764 F C 0.096 175.902 175.800 0.011 0.000 1.122 764 F CA -0.723 57.290 58.000 0.021 0.000 1.129 764 F CB 1.112 40.129 39.000 0.029 0.000 1.173 764 F HN 0.062 nan 8.300 nan 0.000 0.489 765 V N 1.743 121.717 119.914 0.099 0.000 2.656 765 V HA 0.327 4.447 4.120 -0.000 0.000 0.307 765 V C -0.120 175.982 176.094 0.014 0.000 1.051 765 V CA -1.030 61.298 62.300 0.048 0.000 0.893 765 V CB 1.976 33.800 31.823 0.001 0.000 0.999 765 V HN 0.640 nan 8.190 nan 0.000 0.426 766 S N 3.025 118.713 115.700 -0.021 0.000 3.036 766 S HA 0.438 4.908 4.470 -0.000 0.000 0.301 766 S C -0.077 174.439 174.600 -0.140 0.000 1.205 766 S CA -0.002 58.141 58.200 -0.095 0.000 0.999 766 S CB -0.386 62.711 63.200 -0.171 0.000 1.337 766 S HN 1.009 nan 8.310 nan 0.000 0.515 767 T N 2.814 117.305 114.554 -0.104 0.000 2.864 767 T HA 0.403 4.753 4.350 -0.000 0.000 0.299 767 T C 0.207 174.846 174.700 -0.101 0.000 1.166 767 T CA -0.545 61.492 62.100 -0.105 0.000 1.007 767 T CB 1.706 70.534 68.868 -0.068 0.000 1.219 767 T HN 0.528 nan 8.240 nan 0.000 0.506 768 Q N 1.145 120.887 119.800 -0.096 0.000 2.282 768 Q HA 0.280 4.620 4.340 -0.000 0.000 0.206 768 Q C 0.030 175.998 176.000 -0.053 0.000 0.878 768 Q CA -0.136 55.622 55.803 -0.076 0.000 0.944 768 Q CB 0.446 29.141 28.738 -0.073 0.000 1.100 768 Q HN 0.328 nan 8.270 nan 0.000 0.509 769 N N 0.984 119.643 118.700 -0.069 0.000 2.804 769 N HA 0.039 4.779 4.740 -0.000 0.000 0.251 769 N C 0.482 175.932 175.510 -0.100 0.000 1.250 769 N CA 0.112 53.112 53.050 -0.085 0.000 0.820 769 N CB 1.061 39.480 38.487 -0.114 0.000 1.156 769 N HN 0.144 nan 8.380 nan 0.000 0.512 770 T N -0.169 114.339 114.554 -0.076 0.000 2.746 770 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 770 T C 1.884 176.533 174.700 -0.085 0.000 1.039 770 T CA 0.803 62.859 62.100 -0.074 0.000 1.142 770 T CB -0.037 68.798 68.868 -0.055 0.000 0.866 770 T HN 0.411 nan 8.240 nan 0.000 0.444 771 M N 0.393 119.944 119.600 -0.083 0.000 2.080 771 M HA -0.089 4.391 4.480 -0.000 0.000 0.260 771 M C 2.049 178.272 176.300 -0.128 0.000 1.068 771 M CA 1.653 56.904 55.300 -0.082 0.000 1.109 771 M CB -0.128 32.434 32.600 -0.063 0.000 1.342 771 M HN 0.016 nan 8.290 nan 0.000 0.405 772 K N -0.373 119.894 120.400 -0.222 0.000 2.217 772 K HA -0.014 4.306 4.320 -0.000 0.000 0.202 772 K C 1.851 178.187 176.600 -0.439 0.000 1.051 772 K CA 1.509 57.528 56.287 -0.447 0.000 0.952 772 K CB -0.647 31.454 32.500 -0.664 0.000 0.736 772 K HN 0.432 nan 8.250 nan 0.000 0.453 773 T N 1.607 116.013 114.554 -0.246 0.000 2.708 773 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 773 T C 1.915 176.585 174.700 -0.051 0.000 1.037 773 T CA 1.382 63.403 62.100 -0.132 0.000 1.146 773 T CB -0.072 68.740 68.868 -0.093 0.000 0.865 773 T HN 0.351 nan 8.240 nan 0.000 0.435 774 Q N 1.029 120.794 119.800 -0.057 0.000 2.030 774 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 774 Q C 2.487 178.498 176.000 0.018 0.000 0.986 774 Q CA 2.317 58.105 55.803 -0.026 0.000 0.843 774 Q CB -0.233 28.484 28.738 -0.036 0.000 0.904 774 Q HN 0.651 nan 8.270 nan 0.000 0.420 775 S N -0.529 115.195 115.700 0.039 0.000 2.383 775 S HA -0.095 4.375 4.470 -0.000 0.000 0.227 775 S C 1.765 176.512 174.600 0.245 0.000 1.026 775 S CA 0.800 59.069 58.200 0.115 0.000 0.981 775 S CB -0.549 62.727 63.200 0.125 0.000 0.818 775 S HN 0.360 nan 8.310 nan 0.000 0.472 776 F N 1.964 121.887 119.950 -0.046 0.000 2.234 776 F HA 0.100 4.627 4.527 -0.000 0.000 0.299 776 F C 2.498 178.257 175.800 -0.067 0.000 1.087 776 F CA -0.365 57.602 58.000 -0.054 0.000 1.340 776 F CB -0.967 38.001 39.000 -0.054 0.000 1.031 776 F HN 0.095 nan 8.300 nan 0.000 0.500 777 V N -0.577 119.417 119.914 0.133 0.000 2.591 777 V HA -0.157 3.963 4.120 -0.000 0.000 0.249 777 V C 2.498 178.587 176.094 -0.007 0.000 1.053 777 V CA 1.384 63.703 62.300 0.031 0.000 1.068 777 V CB -1.135 30.696 31.823 0.014 0.000 0.689 777 V HN 0.289 nan 8.190 nan 0.000 0.462 778 A N -0.254 122.573 122.820 0.010 0.000 1.929 778 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 778 A C 2.322 179.885 177.584 -0.036 0.000 1.176 778 A CA 1.822 53.849 52.037 -0.016 0.000 0.628 778 A CB -0.347 18.652 19.000 -0.001 0.000 0.816 778 A HN 0.476 nan 8.150 nan 0.000 0.444 779 K N -1.018 119.366 120.400 -0.027 0.000 2.103 779 K HA -0.072 4.248 4.320 -0.000 0.000 0.204 779 K C 2.099 178.643 176.600 -0.094 0.000 1.052 779 K CA 1.298 57.547 56.287 -0.063 0.000 0.945 779 K CB -0.197 32.250 32.500 -0.087 0.000 0.722 779 K HN 0.414 nan 8.250 nan 0.000 0.443 780 M N 1.038 120.578 119.600 -0.101 0.000 2.132 780 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 780 M C 1.667 177.878 176.300 -0.149 0.000 1.065 780 M CA 1.552 56.779 55.300 -0.121 0.000 1.122 780 M CB -0.272 32.257 32.600 -0.118 0.000 1.365 780 M HN 0.209 nan 8.290 nan 0.000 0.411 781 L N -0.634 120.491 121.223 -0.162 0.000 2.341 781 L HA 0.103 4.443 4.340 -0.000 0.000 0.214 781 L C 1.323 178.065 176.870 -0.214 0.000 1.115 781 L CA 0.643 55.326 54.840 -0.262 0.000 0.820 781 L CB -0.475 41.448 42.059 -0.228 0.000 0.944 781 L HN 0.612 nan 8.230 nan 0.000 0.452 782 G N 0.998 109.721 108.800 -0.129 0.000 2.171 782 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.238 782 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.238 782 G C 0.039 174.899 174.900 -0.067 0.000 1.039 782 G CA 0.202 45.247 45.100 -0.091 0.000 0.759 782 G HN 0.268 nan 8.290 nan 0.000 0.501 783 V N -3.487 116.391 119.914 -0.060 0.000 2.919 783 V HA 0.954 5.074 4.120 -0.000 0.000 0.316 783 V C -2.024 174.054 176.094 -0.027 0.000 1.077 783 V CA -2.910 59.369 62.300 -0.036 0.000 0.977 783 V CB 1.880 33.685 31.823 -0.030 0.000 1.039 783 V HN 0.039 nan 8.190 nan 0.000 0.441 784 P HA 0.304 nan 4.420 nan 0.000 0.269 784 P C 0.689 177.980 177.300 -0.014 0.000 1.215 784 P CA 0.358 63.449 63.100 -0.015 0.000 0.780 784 P CB 0.874 32.566 31.700 -0.013 0.000 0.898 785 A N 2.790 125.602 122.820 -0.012 0.000 2.070 785 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 785 A C 1.588 179.164 177.584 -0.014 0.000 1.159 785 A CA 1.688 53.719 52.037 -0.011 0.000 0.656 785 A CB -1.258 17.737 19.000 -0.008 0.000 0.800 785 A HN 0.713 nan 8.150 nan 0.000 0.453 786 N N -0.627 118.065 118.700 -0.013 0.000 2.550 786 N HA -0.097 4.643 4.740 -0.000 0.000 0.186 786 N C 1.195 176.698 175.510 -0.012 0.000 1.110 786 N CA 0.656 53.698 53.050 -0.012 0.000 0.912 786 N CB -0.313 38.168 38.487 -0.010 0.000 0.968 786 N HN 0.368 nan 8.380 nan 0.000 0.448 787 R N -0.221 120.272 120.500 -0.012 0.000 2.254 787 R HA 0.222 4.562 4.340 -0.000 0.000 0.195 787 R C -0.156 176.135 176.300 -0.015 0.000 0.957 787 R CA 0.046 56.140 56.100 -0.010 0.000 1.024 787 R CB 0.346 30.643 30.300 -0.005 0.000 0.952 787 R HN 0.234 nan 8.270 nan 0.000 0.484 788 I N 1.516 122.073 120.570 -0.021 0.000 2.330 788 I HA 0.214 4.384 4.170 -0.000 0.000 0.289 788 I C -0.116 175.974 176.117 -0.045 0.000 1.001 788 I CA -1.531 59.751 61.300 -0.031 0.000 1.193 788 I CB 1.515 39.500 38.000 -0.026 0.000 1.345 788 I HN -0.335 nan 8.210 nan 0.000 0.461 789 V N 8.177 128.051 119.914 -0.066 0.000 2.448 789 V HA 0.625 4.745 4.120 -0.000 0.000 0.295 789 V C -0.710 175.302 176.094 -0.137 0.000 1.025 789 V CA -0.369 61.880 62.300 -0.086 0.000 0.859 789 V CB 2.034 33.810 31.823 -0.080 0.000 0.988 789 V HN 0.393 nan 8.190 nan 0.000 0.431 790 V N 7.913 127.753 119.914 -0.123 0.000 2.384 790 V HA 0.623 4.743 4.120 -0.000 0.000 0.287 790 V C 0.126 176.132 176.094 -0.146 0.000 1.020 790 V CA -0.634 61.578 62.300 -0.147 0.000 0.850 790 V CB 1.557 33.322 31.823 -0.097 0.000 0.987 790 V HN 0.945 nan 8.190 nan 0.000 0.436 791 R N 3.218 123.591 120.500 -0.211 0.000 2.589 791 R HA 0.846 5.186 4.340 -0.000 0.000 0.293 791 R C -1.489 174.806 176.300 -0.008 0.000 0.963 791 R CA -0.730 55.300 56.100 -0.117 0.000 0.905 791 R CB 2.418 32.624 30.300 -0.158 0.000 1.144 791 R HN 0.489 nan 8.270 nan 0.000 0.459 792 V N 3.088 123.017 119.914 0.024 0.000 2.532 792 V HA 0.140 4.260 4.120 -0.000 0.000 0.294 792 V C 0.503 176.626 176.094 0.048 0.000 1.036 792 V CA -0.635 61.690 62.300 0.041 0.000 0.876 792 V CB 1.522 33.345 31.823 -0.000 0.000 1.012 792 V HN 0.822 nan 8.190 nan 0.000 0.432 793 K N 4.279 124.716 120.400 0.063 0.000 2.067 793 K HA 0.209 4.529 4.320 -0.000 0.000 0.203 793 K C 0.692 177.311 176.600 0.031 0.000 1.048 793 K CA 0.887 57.196 56.287 0.037 0.000 0.954 793 K CB 0.424 32.933 32.500 0.016 0.000 0.737 793 K HN 0.787 nan 8.250 nan 0.000 0.444 794 R N -1.142 119.360 120.500 0.003 0.000 2.728 794 R HA 0.336 4.676 4.340 -0.000 0.000 0.274 794 R C -1.564 174.750 176.300 0.023 0.000 1.032 794 R CA -0.871 55.228 56.100 -0.002 0.000 0.866 794 R CB 0.708 30.981 30.300 -0.045 0.000 1.263 794 R HN -0.096 nan 8.270 nan 0.000 0.475 795 M N 0.512 120.131 119.600 0.031 0.000 2.530 795 M HA 0.426 4.906 4.480 -0.000 0.000 0.307 795 M C 0.284 176.626 176.300 0.070 0.000 1.161 795 M CA -0.771 54.529 55.300 -0.000 0.000 0.903 795 M CB 2.583 35.092 32.600 -0.152 0.000 1.711 795 M HN 0.924 nan 8.290 nan 0.000 0.451 796 G N 1.492 110.264 108.800 -0.047 0.000 3.458 796 G HA2 0.513 4.473 3.960 -0.000 0.000 0.256 796 G HA3 0.513 4.473 3.960 -0.000 0.000 0.256 796 G C 0.309 175.115 174.900 -0.156 0.000 0.938 796 G CA 0.247 45.250 45.100 -0.162 0.000 1.890 796 G HN 1.100 nan 8.290 nan 0.000 0.639 797 G N -1.283 107.430 108.800 -0.145 0.000 2.697 797 G HA2 0.389 4.349 3.960 -0.000 0.000 0.686 797 G HA3 0.389 4.349 3.960 -0.000 0.000 0.686 797 G C 0.464 175.136 174.900 -0.380 0.000 1.179 797 G CA -0.314 44.627 45.100 -0.266 0.000 0.765 797 G HN 1.226 nan 8.290 nan 0.000 0.649 798 G N -0.604 107.775 108.800 -0.702 0.000 2.675 798 G HA2 0.547 4.507 3.960 -0.000 0.000 0.202 798 G HA3 0.547 4.507 3.960 -0.000 0.000 0.202 798 G C 0.778 175.573 174.900 -0.174 0.000 1.252 798 G CA 0.884 45.750 45.100 -0.389 0.000 0.627 798 G HN 1.794 nan 8.290 nan 0.000 0.921 799 F N 0.973 120.926 119.950 0.004 0.000 3.069 799 F HA -0.160 4.367 4.527 -0.000 0.000 0.285 799 F C 1.946 177.755 175.800 0.016 0.000 0.827 799 F CA 1.223 59.216 58.000 -0.011 0.000 1.108 799 F CB -1.659 37.277 39.000 -0.107 0.000 1.252 799 F HN 1.386 nan 8.300 nan 0.000 0.483 800 G N -1.282 107.574 108.800 0.095 0.000 2.217 800 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.246 800 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.246 800 G C 1.199 176.129 174.900 0.051 0.000 0.990 800 G CA 0.231 45.422 45.100 0.150 0.000 0.627 800 G HN 1.340 nan 8.290 nan 0.000 0.522 801 G N -0.180 108.432 108.800 -0.313 0.000 2.848 801 G HA2 0.287 4.247 3.960 -0.000 0.000 0.208 801 G HA3 0.287 4.247 3.960 -0.000 0.000 0.208 801 G C 1.058 175.867 174.900 -0.153 0.000 1.152 801 G CA 1.203 45.879 45.100 -0.707 0.000 0.789 801 G HN 0.517 nan 8.290 nan 0.000 0.531 802 K N -0.110 120.215 120.400 -0.125 0.000 2.564 802 K HA 0.281 4.601 4.320 -0.000 0.000 0.205 802 K C 1.309 177.886 176.600 -0.038 0.000 1.053 802 K CA -0.230 56.015 56.287 -0.070 0.000 1.072 802 K CB 1.345 33.691 32.500 -0.257 0.000 0.822 802 K HN 0.093 nan 8.250 nan 0.000 0.497 803 V N 0.780 120.695 119.914 0.003 0.000 2.591 803 V HA -0.158 3.962 4.120 -0.000 0.000 0.249 803 V C 1.959 178.051 176.094 -0.003 0.000 1.053 803 V CA 2.296 64.608 62.300 0.020 0.000 1.068 803 V CB 0.136 32.016 31.823 0.094 0.000 0.689 803 V HN 0.572 nan 8.190 nan 0.000 0.462 804 T N -4.400 110.166 114.554 0.020 0.000 3.340 804 T HA 0.059 4.409 4.350 -0.000 0.000 0.272 804 T C 1.793 176.493 174.700 -0.000 0.000 0.965 804 T CA -0.373 61.721 62.100 -0.010 0.000 1.040 804 T CB -0.116 68.778 68.868 0.043 0.000 1.183 804 T HN 0.108 nan 8.240 nan 0.000 0.478 805 R N 2.792 123.305 120.500 0.021 0.000 2.211 805 R HA -0.015 4.325 4.340 -0.000 0.000 0.240 805 R C 2.768 178.976 176.300 -0.153 0.000 1.144 805 R CA 1.591 57.665 56.100 -0.044 0.000 0.992 805 R CB -1.460 28.814 30.300 -0.044 0.000 0.869 805 R HN 0.785 nan 8.270 nan 0.000 0.462 806 S N 0.282 115.957 115.700 -0.041 0.000 2.383 806 S HA -0.191 4.279 4.470 -0.000 0.000 0.229 806 S C 2.049 176.620 174.600 -0.049 0.000 1.030 806 S CA 1.816 60.012 58.200 -0.008 0.000 1.002 806 S CB -0.894 62.383 63.200 0.128 0.000 0.829 806 S HN 0.520 nan 8.310 nan 0.000 0.467 807 T N -0.055 114.479 114.554 -0.034 0.000 2.897 807 T HA -0.034 4.316 4.350 -0.000 0.000 0.271 807 T C 1.652 176.357 174.700 0.008 0.000 1.084 807 T CA 1.172 63.277 62.100 0.007 0.000 1.123 807 T CB -1.009 67.902 68.868 0.072 0.000 0.865 807 T HN 0.248 nan 8.240 nan 0.000 0.496 808 V N 0.749 120.642 119.914 -0.035 0.000 2.626 808 V HA -0.062 4.058 4.120 -0.000 0.000 0.252 808 V C 2.748 178.794 176.094 -0.081 0.000 1.067 808 V CA 1.220 63.481 62.300 -0.065 0.000 1.081 808 V CB -0.261 31.517 31.823 -0.075 0.000 0.686 808 V HN 0.481 nan 8.190 nan 0.000 0.468 809 V N -1.271 118.598 119.914 -0.074 0.000 2.825 809 V HA -0.080 4.040 4.120 -0.000 0.000 0.246 809 V C 2.395 178.483 176.094 -0.010 0.000 1.068 809 V CA 1.551 63.831 62.300 -0.033 0.000 1.088 809 V CB 0.144 31.957 31.823 -0.018 0.000 0.733 809 V HN 0.514 nan 8.190 nan 0.000 0.468 810 S N 1.033 116.726 115.700 -0.011 0.000 2.356 810 S HA -0.216 4.254 4.470 -0.000 0.000 0.223 810 S C 2.268 176.862 174.600 -0.010 0.000 1.032 810 S CA 2.110 60.312 58.200 0.003 0.000 1.005 810 S CB -0.528 62.674 63.200 0.004 0.000 0.867 810 S HN 0.842 nan 8.310 nan 0.000 0.449 811 T N 1.700 116.230 114.554 -0.040 0.000 2.684 811 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 811 T C 1.949 176.587 174.700 -0.105 0.000 1.036 811 T CA 1.310 63.359 62.100 -0.084 0.000 1.148 811 T CB -0.806 67.970 68.868 -0.153 0.000 0.863 811 T HN 0.366 nan 8.240 nan 0.000 0.436 812 A N 1.690 124.431 122.820 -0.131 0.000 1.859 812 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 812 A C 2.726 180.361 177.584 0.085 0.000 1.198 812 A CA 2.168 54.195 52.037 -0.018 0.000 0.629 812 A CB -1.351 17.680 19.000 0.051 0.000 0.830 812 A HN 0.434 nan 8.150 nan 0.000 0.446 813 V N 0.055 120.007 119.914 0.063 0.000 2.324 813 V HA -0.295 3.824 4.120 -0.000 0.000 0.250 813 V C 3.025 179.165 176.094 0.077 0.000 1.060 813 V CA 2.119 64.465 62.300 0.076 0.000 1.042 813 V CB -1.582 30.284 31.823 0.070 0.000 0.650 813 V HN 0.661 nan 8.190 nan 0.000 0.450 814 A N 0.113 122.967 122.820 0.057 0.000 1.865 814 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 814 A C 2.193 179.840 177.584 0.105 0.000 1.191 814 A CA 2.281 54.354 52.037 0.061 0.000 0.623 814 A CB -0.689 18.325 19.000 0.022 0.000 0.826 814 A HN 0.462 nan 8.150 nan 0.000 0.444 815 L N -0.411 120.875 121.223 0.106 0.000 2.131 815 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 815 L C 2.610 179.605 176.870 0.208 0.000 1.092 815 L CA 1.993 56.941 54.840 0.179 0.000 0.759 815 L CB -0.737 41.438 42.059 0.194 0.000 0.903 815 L HN 0.370 nan 8.230 nan 0.000 0.435 816 A N -0.565 122.340 122.820 0.142 0.000 1.873 816 A HA -0.054 4.266 4.320 -0.000 0.000 0.215 816 A C 2.465 180.092 177.584 0.072 0.000 1.186 816 A CA 1.648 53.737 52.037 0.087 0.000 0.616 816 A CB -1.152 17.889 19.000 0.068 0.000 0.823 816 A HN 0.522 nan 8.150 nan 0.000 0.442 817 A N -1.340 121.533 122.820 0.089 0.000 1.902 817 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 817 A C 2.157 179.784 177.584 0.072 0.000 1.181 817 A CA 1.779 53.858 52.037 0.069 0.000 0.623 817 A CB -0.877 18.171 19.000 0.080 0.000 0.818 817 A HN 0.798 nan 8.150 nan 0.000 0.443 818 Y N 0.501 120.805 120.300 0.008 0.000 2.145 818 Y HA -0.206 4.344 4.550 -0.000 0.000 0.286 818 Y C 2.267 178.167 175.900 -0.000 0.000 1.145 818 Y CA 2.456 60.558 58.100 0.004 0.000 1.148 818 Y CB -0.314 38.152 38.460 0.009 0.000 0.981 818 Y HN 0.194 nan 8.280 nan 0.000 0.507 819 K N -0.184 120.159 120.400 -0.094 0.000 2.026 819 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 819 K C 2.246 178.739 176.600 -0.179 0.000 1.048 819 K CA 2.174 58.350 56.287 -0.185 0.000 0.929 819 K CB -0.800 31.694 32.500 -0.010 0.000 0.713 819 K HN 0.589 nan 8.250 nan 0.000 0.439 820 T N -4.080 110.412 114.554 -0.104 0.000 3.054 820 T HA 0.149 4.499 4.350 -0.000 0.000 0.259 820 T C 1.438 176.082 174.700 -0.092 0.000 1.092 820 T CA 0.631 62.677 62.100 -0.089 0.000 1.121 820 T CB -0.017 68.816 68.868 -0.058 0.000 0.912 820 T HN 0.299 nan 8.240 nan 0.000 0.489 821 G N 1.592 110.332 108.800 -0.100 0.000 2.155 821 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.257 821 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.257 821 G C 0.077 174.942 174.900 -0.058 0.000 0.983 821 G CA 0.224 45.272 45.100 -0.087 0.000 0.676 821 G HN 0.729 nan 8.290 nan 0.000 0.528 822 R N 0.368 120.844 120.500 -0.040 0.000 2.803 822 R HA 0.555 4.895 4.340 -0.000 0.000 0.276 822 R C -2.503 173.797 176.300 0.000 0.000 0.978 822 R CA -2.121 53.961 56.100 -0.030 0.000 0.939 822 R CB 2.103 32.391 30.300 -0.021 0.000 1.179 822 R HN 0.056 nan 8.270 nan 0.000 0.472 823 P HA 0.050 nan 4.420 nan 0.000 0.269 823 P C -0.770 176.584 177.300 0.090 0.000 1.209 823 P CA -0.003 63.141 63.100 0.074 0.000 0.776 823 P CB 0.857 32.640 31.700 0.138 0.000 0.876 824 V N 3.257 123.233 119.914 0.102 0.000 2.971 824 V HA 0.582 4.702 4.120 -0.000 0.000 0.309 824 V C 0.221 176.376 176.094 0.102 0.000 1.130 824 V CA -0.738 61.615 62.300 0.088 0.000 0.964 824 V CB 2.362 34.226 31.823 0.069 0.000 1.029 824 V HN 0.725 nan 8.190 nan 0.000 0.427 825 R N 1.771 122.325 120.500 0.090 0.000 2.836 825 R HA 0.943 5.283 4.340 -0.000 0.000 0.269 825 R C -1.466 174.882 176.300 0.079 0.000 1.010 825 R CA -0.649 55.505 56.100 0.090 0.000 0.930 825 R CB 1.930 32.281 30.300 0.085 0.000 1.218 825 R HN 0.759 nan 8.270 nan 0.000 0.473 826 C N 2.909 122.257 119.300 0.079 0.000 2.832 826 C HA 0.534 4.994 4.460 -0.000 0.000 0.383 826 C C -1.186 173.848 174.990 0.073 0.000 1.046 826 C CA -0.553 58.511 59.018 0.076 0.000 1.242 826 C CB 1.261 29.048 27.740 0.080 0.000 1.693 826 C HN 0.990 nan 8.230 nan 0.000 0.497 827 M N 6.842 126.486 119.600 0.072 0.000 2.243 827 M HA 0.572 5.052 4.480 -0.000 0.000 0.324 827 M C -1.148 175.199 176.300 0.078 0.000 1.031 827 M CA -0.598 54.742 55.300 0.067 0.000 0.949 827 M CB 1.246 33.883 32.600 0.063 0.000 1.615 827 M HN 0.718 nan 8.290 nan 0.000 0.430 828 L N 3.701 124.976 121.223 0.087 0.000 2.439 828 L HA 0.230 4.570 4.340 -0.000 0.000 0.269 828 L C 0.022 176.954 176.870 0.104 0.000 1.179 828 L CA -0.524 54.377 54.840 0.102 0.000 0.828 828 L CB 0.234 42.366 42.059 0.123 0.000 1.106 828 L HN 0.609 nan 8.230 nan 0.000 0.467 829 D N 0.941 121.410 120.400 0.114 0.000 2.344 829 D HA 0.080 4.720 4.640 -0.000 0.000 0.244 829 D C 0.927 177.315 176.300 0.148 0.000 1.134 829 D CA -0.379 53.702 54.000 0.134 0.000 0.930 829 D CB 1.082 41.964 40.800 0.137 0.000 1.175 829 D HN 0.325 nan 8.370 nan 0.000 0.437 830 R N 1.107 121.704 120.500 0.162 0.000 2.096 830 R HA -0.183 4.157 4.340 -0.000 0.000 0.240 830 R C 1.392 177.780 176.300 0.147 0.000 1.139 830 R CA 2.015 58.187 56.100 0.120 0.000 0.952 830 R CB -0.309 30.074 30.300 0.138 0.000 0.854 830 R HN 0.568 nan 8.270 nan 0.000 0.436 831 D N -0.291 120.245 120.400 0.226 0.000 2.144 831 D HA -0.183 4.457 4.640 -0.000 0.000 0.199 831 D C 1.223 177.621 176.300 0.165 0.000 0.984 831 D CA 1.459 55.588 54.000 0.215 0.000 0.834 831 D CB -0.462 40.540 40.800 0.336 0.000 0.955 831 D HN 0.481 nan 8.370 nan 0.000 0.465 832 E N 0.359 120.654 120.200 0.160 0.000 2.046 832 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 832 E C 1.836 178.508 176.600 0.121 0.000 0.982 832 E CA 0.997 57.477 56.400 0.133 0.000 0.800 832 E CB -0.106 29.669 29.700 0.126 0.000 0.756 832 E HN 0.305 nan 8.360 nan 0.000 0.449 833 D N 0.968 121.447 120.400 0.132 0.000 2.092 833 D HA -0.161 4.479 4.640 -0.000 0.000 0.193 833 D C 2.031 178.415 176.300 0.140 0.000 0.994 833 D CA 1.172 55.269 54.000 0.162 0.000 0.828 833 D CB 0.025 40.948 40.800 0.205 0.000 0.963 833 D HN 0.122 nan 8.370 nan 0.000 0.450 834 M N -0.106 119.552 119.600 0.095 0.000 2.279 834 M HA -0.165 4.315 4.480 -0.000 0.000 0.264 834 M C 2.214 178.548 176.300 0.056 0.000 1.062 834 M CA 0.671 56.002 55.300 0.051 0.000 1.099 834 M CB -0.016 32.593 32.600 0.015 0.000 1.394 834 M HN 0.092 nan 8.290 nan 0.000 0.426 835 L N 0.381 121.649 121.223 0.075 0.000 2.084 835 L HA 0.005 4.345 4.340 -0.000 0.000 0.202 835 L C 1.973 178.895 176.870 0.086 0.000 1.074 835 L CA 1.645 56.531 54.840 0.075 0.000 0.757 835 L CB -0.284 41.826 42.059 0.085 0.000 0.918 835 L HN 0.152 nan 8.230 nan 0.000 0.444 836 I N -0.461 120.159 120.570 0.084 0.000 2.233 836 I HA -0.195 3.975 4.170 -0.000 0.000 0.243 836 I C 2.158 178.301 176.117 0.042 0.000 1.093 836 I CA 1.544 62.883 61.300 0.065 0.000 1.380 836 I CB -0.760 37.273 38.000 0.055 0.000 1.067 836 I HN 0.426 nan 8.210 nan 0.000 0.413 837 T N -0.981 113.603 114.554 0.050 0.000 3.118 837 T HA 0.260 4.610 4.350 -0.000 0.000 0.260 837 T C 1.157 175.931 174.700 0.123 0.000 1.139 837 T CA 0.318 62.447 62.100 0.048 0.000 1.085 837 T CB -0.726 68.189 68.868 0.079 0.000 0.934 837 T HN 0.566 nan 8.240 nan 0.000 0.518 838 G N -0.224 108.651 108.800 0.125 0.000 2.907 838 G HA2 0.272 4.232 3.960 -0.000 0.000 0.242 838 G HA3 0.272 4.232 3.960 -0.000 0.000 0.242 838 G C 0.088 175.130 174.900 0.238 0.000 1.448 838 G CA -0.487 44.695 45.100 0.137 0.000 0.911 838 G HN 1.190 nan 8.290 nan 0.000 0.553 839 G N -1.159 107.759 108.800 0.197 0.000 3.107 839 G HA2 0.682 4.642 3.960 -0.000 0.000 0.233 839 G HA3 0.682 4.642 3.960 -0.000 0.000 0.233 839 G C -0.062 174.973 174.900 0.225 0.000 1.168 839 G CA 0.133 45.386 45.100 0.256 0.000 0.801 839 G HN 0.871 nan 8.290 nan 0.000 0.605 840 R N 0.374 120.989 120.500 0.192 0.000 2.442 840 R HA 0.187 4.527 4.340 -0.000 0.000 0.291 840 R C -0.561 175.802 176.300 0.104 0.000 1.069 840 R CA -0.312 55.865 56.100 0.128 0.000 1.022 840 R CB -0.075 30.059 30.300 -0.276 0.000 0.976 840 R HN 0.575 nan 8.270 nan 0.000 0.443 841 H N 4.888 124.017 119.070 0.099 0.000 3.070 841 H HA 0.084 4.640 4.556 -0.000 0.000 0.313 841 H C -2.054 173.385 175.328 0.186 0.000 0.997 841 H CA -0.878 55.249 56.048 0.132 0.000 1.438 841 H CB 0.391 30.257 29.762 0.173 0.000 1.455 841 H HN 0.418 nan 8.280 nan 0.000 0.575 842 P HA 0.122 nan 4.420 nan 0.000 0.286 842 P C -0.778 176.613 177.300 0.151 0.000 1.269 842 P CA -0.176 62.968 63.100 0.072 0.000 0.787 842 P CB 0.605 32.313 31.700 0.014 0.000 0.920 843 F N 2.813 122.676 119.950 -0.146 0.000 2.470 843 F HA 0.578 5.105 4.527 -0.000 0.000 0.329 843 F C -0.031 175.772 175.800 0.005 0.000 1.072 843 F CA -0.707 57.295 58.000 0.004 0.000 0.989 843 F CB 1.350 40.383 39.000 0.054 0.000 1.193 843 F HN 0.063 nan 8.300 nan 0.000 0.481 844 L N 2.851 124.271 121.223 0.329 0.000 2.446 844 L HA 0.808 5.148 4.340 -0.000 0.000 0.268 844 L C -1.171 175.925 176.870 0.377 0.000 0.975 844 L CA -0.544 54.503 54.840 0.344 0.000 0.848 844 L CB 0.854 43.092 42.059 0.298 0.000 1.225 844 L HN 0.603 nan 8.230 nan 0.000 0.410 845 A N 5.009 128.016 122.820 0.313 0.000 2.350 845 A HA 0.903 5.223 4.320 -0.000 0.000 0.324 845 A C -0.623 177.074 177.584 0.190 0.000 1.118 845 A CA -0.707 51.481 52.037 0.252 0.000 0.783 845 A CB 1.075 20.178 19.000 0.172 0.000 1.236 845 A HN 0.696 nan 8.150 nan 0.000 0.457 846 R N 1.365 121.952 120.500 0.146 0.000 2.320 846 R HA 0.476 4.816 4.340 -0.000 0.000 0.319 846 R C -1.368 174.955 176.300 0.039 0.000 0.969 846 R CA -0.279 55.833 56.100 0.019 0.000 0.857 846 R CB 1.109 31.433 30.300 0.041 0.000 1.160 846 R HN 0.792 nan 8.270 nan 0.000 0.491 847 Y N -0.265 120.086 120.300 0.085 0.000 2.496 847 Y HA 0.668 5.218 4.550 -0.000 0.000 0.331 847 Y C -0.524 175.397 175.900 0.035 0.000 1.140 847 Y CA -1.265 56.871 58.100 0.060 0.000 1.166 847 Y CB 1.519 40.059 38.460 0.134 0.000 1.249 847 Y HN 0.211 nan 8.280 nan 0.000 0.479 848 K N 2.532 123.072 120.400 0.234 0.000 2.581 848 K HA 0.630 4.950 4.320 -0.000 0.000 0.249 848 K C -2.549 174.196 176.600 0.241 0.000 0.966 848 K CA -0.787 55.605 56.287 0.175 0.000 0.811 848 K CB 2.416 34.927 32.500 0.020 0.000 1.223 848 K HN 0.801 nan 8.250 nan 0.000 0.438 849 V N 3.011 123.079 119.914 0.257 0.000 2.709 849 V HA 0.796 4.916 4.120 -0.000 0.000 0.308 849 V C -0.667 175.657 176.094 0.384 0.000 1.062 849 V CA -0.260 62.132 62.300 0.154 0.000 0.901 849 V CB 1.765 33.454 31.823 -0.224 0.000 1.003 849 V HN 0.860 nan 8.190 nan 0.000 0.425 850 G N 5.623 114.577 108.800 0.257 0.000 2.415 850 G HA2 0.770 4.730 3.960 -0.000 0.000 0.327 850 G HA3 0.770 4.730 3.960 -0.000 0.000 0.327 850 G C -1.265 173.737 174.900 0.170 0.000 1.182 850 G CA -0.484 44.719 45.100 0.172 0.000 0.924 850 G HN 0.986 nan 8.290 nan 0.000 0.470 851 F N 0.149 120.089 119.950 -0.017 0.000 2.685 851 F HA 0.764 5.291 4.527 -0.000 0.000 0.315 851 F C -0.642 175.149 175.800 -0.014 0.000 1.126 851 F CA -2.092 55.887 58.000 -0.034 0.000 0.950 851 F CB 1.230 40.216 39.000 -0.023 0.000 1.360 851 F HN 0.226 nan 8.300 nan 0.000 0.469 852 M N 1.304 120.983 119.600 0.133 0.000 2.409 852 M HA 0.372 4.852 4.480 -0.000 0.000 0.329 852 M C 0.855 177.226 176.300 0.119 0.000 1.180 852 M CA -0.535 54.791 55.300 0.043 0.000 1.053 852 M CB 1.488 34.110 32.600 0.037 0.000 1.586 852 M HN 0.792 nan 8.290 nan 0.000 0.461 853 K N 0.315 120.747 120.400 0.053 0.000 2.362 853 K HA -0.144 4.176 4.320 -0.000 0.000 0.202 853 K C 1.357 178.019 176.600 0.105 0.000 1.045 853 K CA 1.773 58.112 56.287 0.086 0.000 0.936 853 K CB -0.463 32.061 32.500 0.040 0.000 0.747 853 K HN 0.863 nan 8.250 nan 0.000 0.467 854 T N -3.403 111.203 114.554 0.087 0.000 3.129 854 T HA 0.173 4.523 4.350 -0.000 0.000 0.251 854 T C 1.376 176.116 174.700 0.067 0.000 1.117 854 T CA 0.524 62.663 62.100 0.066 0.000 1.034 854 T CB 0.432 69.325 68.868 0.041 0.000 0.968 854 T HN 0.354 nan 8.240 nan 0.000 0.526 855 G N 0.712 109.579 108.800 0.111 0.000 2.213 855 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.236 855 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.236 855 G C 0.204 175.119 174.900 0.025 0.000 0.991 855 G CA -0.045 45.086 45.100 0.053 0.000 0.629 855 G HN 0.678 nan 8.290 nan 0.000 0.517 856 T N 1.901 116.489 114.554 0.057 0.000 2.814 856 T HA 0.489 4.839 4.350 -0.000 0.000 0.297 856 T C 0.700 175.444 174.700 0.074 0.000 0.956 856 T CA 0.399 62.515 62.100 0.027 0.000 1.123 856 T CB 1.869 70.745 68.868 0.014 0.000 0.902 856 T HN 1.413 nan 8.240 nan 0.000 0.528 857 V N 2.918 122.845 119.914 0.022 0.000 2.607 857 V HA 0.508 4.628 4.120 -0.000 0.000 0.289 857 V C 0.344 176.415 176.094 -0.039 0.000 1.053 857 V CA -0.289 62.030 62.300 0.030 0.000 0.996 857 V CB 1.361 33.155 31.823 -0.049 0.000 0.995 857 V HN 0.672 nan 8.190 nan 0.000 0.476 858 V N 3.440 123.311 119.914 -0.072 0.000 3.539 858 V HA 0.647 4.767 4.120 -0.000 0.000 0.262 858 V C 0.835 176.785 176.094 -0.240 0.000 1.381 858 V CA 0.638 62.862 62.300 -0.127 0.000 1.060 858 V CB 0.139 31.901 31.823 -0.102 0.000 0.842 858 V HN 1.288 nan 8.190 nan 0.000 0.445 859 A N 0.958 123.567 122.820 -0.352 0.000 2.488 859 A HA 0.848 5.167 4.320 -0.000 0.000 0.298 859 A C -1.855 175.392 177.584 -0.562 0.000 1.044 859 A CA -0.357 51.300 52.037 -0.632 0.000 0.693 859 A CB 2.396 20.621 19.000 -1.292 0.000 1.272 859 A HN 0.212 nan 8.150 nan 0.000 0.402 860 L N 0.739 121.701 121.223 -0.434 0.000 2.455 860 L HA 0.809 5.149 4.340 -0.000 0.000 0.264 860 L C -0.765 176.062 176.870 -0.071 0.000 0.968 860 L CA -0.018 54.637 54.840 -0.309 0.000 0.827 860 L CB 2.055 43.847 42.059 -0.444 0.000 1.317 860 L HN 0.800 nan 8.230 nan 0.000 0.407 861 E N 3.603 123.850 120.200 0.078 0.000 2.265 861 E HA 0.658 5.008 4.350 -0.000 0.000 0.262 861 E C -2.014 174.658 176.600 0.121 0.000 0.889 861 E CA -0.544 55.949 56.400 0.155 0.000 0.789 861 E CB 1.897 31.772 29.700 0.293 0.000 1.221 861 E HN 0.516 nan 8.360 nan 0.000 0.414 862 V N 3.818 123.804 119.914 0.120 0.000 2.588 862 V HA 0.386 4.506 4.120 -0.000 0.000 0.304 862 V C -0.755 175.372 176.094 0.054 0.000 1.042 862 V CA -0.966 61.387 62.300 0.088 0.000 0.877 862 V CB 2.044 33.908 31.823 0.068 0.000 0.996 862 V HN 0.665 nan 8.190 nan 0.000 0.425 863 D N 2.370 122.784 120.400 0.024 0.000 2.344 863 D HA 0.494 5.134 4.640 -0.000 0.000 0.239 863 D C -0.774 175.528 176.300 0.004 0.000 1.064 863 D CA -0.288 53.745 54.000 0.056 0.000 0.829 863 D CB 1.624 42.548 40.800 0.206 0.000 1.129 863 D HN 0.616 nan 8.370 nan 0.000 0.506 864 H N 0.983 120.009 119.070 -0.073 0.000 2.499 864 H HA 0.559 5.115 4.556 -0.000 0.000 0.340 864 H C -0.696 174.389 175.328 -0.404 0.000 1.148 864 H CA -0.417 55.642 56.048 0.018 0.000 1.215 864 H CB 1.046 30.886 29.762 0.131 0.000 1.529 864 H HN 0.205 nan 8.280 nan 0.000 0.510 865 F N 0.570 120.533 119.950 0.021 0.000 2.574 865 F HA 0.442 4.969 4.527 -0.000 0.000 0.313 865 F C -0.412 175.211 175.800 -0.295 0.000 1.130 865 F CA -0.816 57.136 58.000 -0.080 0.000 0.936 865 F CB 2.060 41.079 39.000 0.031 0.000 1.219 865 F HN 0.543 nan 8.300 nan 0.000 0.445 866 S N 1.854 117.427 115.700 -0.211 0.000 2.521 866 S HA 0.497 4.967 4.470 -0.000 0.000 0.295 866 S C -1.203 173.398 174.600 0.001 0.000 1.098 866 S CA -0.886 57.108 58.200 -0.343 0.000 0.999 866 S CB 1.879 64.688 63.200 -0.652 0.000 1.034 866 S HN 0.542 nan 8.310 nan 0.000 0.483 867 N N 2.386 121.112 118.700 0.043 0.000 2.415 867 N HA 0.140 4.880 4.740 -0.000 0.000 0.246 867 N C 0.827 176.362 175.510 0.042 0.000 1.078 867 N CA -0.254 52.829 53.050 0.055 0.000 0.942 867 N CB 1.456 39.950 38.487 0.012 0.000 1.140 867 N HN 0.738 nan 8.380 nan 0.000 0.501 868 V N 2.248 122.235 119.914 0.122 0.000 3.174 868 V HA 0.401 4.521 4.120 -0.000 0.000 0.254 868 V C 0.946 177.050 176.094 0.017 0.000 1.120 868 V CA 1.358 63.717 62.300 0.098 0.000 1.114 868 V CB -0.897 31.077 31.823 0.252 0.000 0.756 868 V HN 0.773 nan 8.190 nan 0.000 0.467 869 G N 1.678 110.520 108.800 0.069 0.000 2.610 869 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.304 869 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.304 869 G C 0.147 175.116 174.900 0.115 0.000 1.309 869 G CA 0.137 45.255 45.100 0.030 0.000 0.906 869 G HN 1.070 nan 8.290 nan 0.000 0.521 870 N N 0.085 118.803 118.700 0.031 0.000 2.609 870 N HA 0.125 4.865 4.740 -0.000 0.000 0.190 870 N C 0.789 176.356 175.510 0.094 0.000 1.157 870 N CA 1.956 55.024 53.050 0.030 0.000 0.918 870 N CB -0.327 38.108 38.487 -0.087 0.000 0.978 870 N HN 1.732 nan 8.380 nan 0.000 0.448 871 T N -5.632 108.971 114.554 0.082 0.000 2.894 871 T HA 0.190 4.540 4.350 -0.000 0.000 0.309 871 T C 0.379 174.867 174.700 -0.353 0.000 1.208 871 T CA -0.840 61.243 62.100 -0.028 0.000 1.016 871 T CB 2.019 70.856 68.868 -0.052 0.000 1.192 871 T HN -0.007 nan 8.240 nan 0.000 0.491 872 Q N 0.599 119.995 119.800 -0.675 0.000 2.119 872 Q HA -0.023 4.317 4.340 -0.000 0.000 0.201 872 Q C 0.941 176.757 176.000 -0.307 0.000 0.972 872 Q CA 2.037 57.311 55.803 -0.881 0.000 0.847 872 Q CB -0.279 28.038 28.738 -0.701 0.000 0.903 872 Q HN 0.967 nan 8.270 nan 0.000 0.433 873 D N -1.219 119.094 120.400 -0.145 0.000 3.771 873 D HA -0.306 4.334 4.640 -0.000 0.000 0.145 873 D C 0.269 176.585 176.300 0.027 0.000 0.892 873 D CA 2.492 56.488 54.000 -0.007 0.000 1.080 873 D CB -1.169 39.656 40.800 0.040 0.000 0.498 873 D HN 0.273 nan 8.370 nan 0.000 0.499 874 L N 0.307 121.579 121.223 0.081 0.000 2.728 874 L HA 0.227 4.567 4.340 -0.000 0.000 0.238 874 L C 2.181 179.038 176.870 -0.022 0.000 1.143 874 L CA 0.542 55.445 54.840 0.105 0.000 0.937 874 L CB -0.106 42.107 42.059 0.258 0.000 1.225 874 L HN 0.418 nan 8.230 nan 0.000 0.507 875 S N -0.245 115.421 115.700 -0.057 0.000 2.400 875 S HA -0.375 4.095 4.470 -0.000 0.000 0.234 875 S C 1.819 176.293 174.600 -0.210 0.000 1.049 875 S CA 1.854 59.929 58.200 -0.208 0.000 1.039 875 S CB -0.329 62.864 63.200 -0.011 0.000 0.856 875 S HN 0.579 nan 8.310 nan 0.000 0.465 876 Q N 0.827 120.560 119.800 -0.112 0.000 2.050 876 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 876 Q C 2.212 178.175 176.000 -0.061 0.000 0.980 876 Q CA 1.795 57.542 55.803 -0.094 0.000 0.840 876 Q CB -0.258 28.441 28.738 -0.065 0.000 0.898 876 Q HN 0.706 nan 8.270 nan 0.000 0.424 877 S N 0.418 116.138 115.700 0.033 0.000 2.387 877 S HA -0.070 4.399 4.470 -0.000 0.000 0.226 877 S C 1.854 176.534 174.600 0.133 0.000 1.026 877 S CA 0.819 59.135 58.200 0.193 0.000 0.972 877 S CB -0.143 63.311 63.200 0.424 0.000 0.814 877 S HN 0.345 nan 8.310 nan 0.000 0.477 878 I N 1.042 121.468 120.570 -0.241 0.000 2.179 878 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 878 I C 2.491 178.512 176.117 -0.159 0.000 1.088 878 I CA 1.248 62.228 61.300 -0.533 0.000 1.357 878 I CB -0.262 37.242 38.000 -0.826 0.000 1.051 878 I HN 0.300 nan 8.210 nan 0.000 0.409 879 M N 0.810 120.332 119.600 -0.131 0.000 2.229 879 M HA -0.166 4.314 4.480 -0.000 0.000 0.264 879 M C 1.976 178.239 176.300 -0.062 0.000 1.063 879 M CA 1.783 57.056 55.300 -0.045 0.000 1.114 879 M CB -0.469 32.045 32.600 -0.144 0.000 1.387 879 M HN 0.089 nan 8.290 nan 0.000 0.420 880 E N -0.613 119.555 120.200 -0.054 0.000 2.077 880 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 880 E C 2.202 178.812 176.600 0.016 0.000 0.989 880 E CA 1.282 57.650 56.400 -0.052 0.000 0.800 880 E CB -0.210 29.538 29.700 0.080 0.000 0.746 880 E HN 0.514 nan 8.360 nan 0.000 0.452 881 R N 0.445 121.095 120.500 0.251 0.000 2.092 881 R HA -0.106 4.234 4.340 -0.000 0.000 0.231 881 R C 2.211 178.685 176.300 0.289 0.000 1.119 881 R CA 1.165 57.526 56.100 0.434 0.000 0.970 881 R CB -0.161 30.357 30.300 0.364 0.000 0.864 881 R HN 0.126 nan 8.270 nan 0.000 0.440 882 A N 1.184 124.055 122.820 0.086 0.000 1.908 882 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 882 A C 2.168 179.758 177.584 0.009 0.000 1.181 882 A CA 1.291 53.323 52.037 -0.007 0.000 0.627 882 A CB -0.560 18.424 19.000 -0.028 0.000 0.818 882 A HN 0.357 nan 8.150 nan 0.000 0.445 883 L N -2.115 119.065 121.223 -0.072 0.000 2.093 883 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 883 L C 2.228 179.187 176.870 0.148 0.000 1.085 883 L CA 0.963 55.761 54.840 -0.069 0.000 0.755 883 L CB -0.523 41.443 42.059 -0.155 0.000 0.904 883 L HN 0.342 nan 8.230 nan 0.000 0.435 884 F N -0.523 119.522 119.950 0.159 0.000 2.546 884 F HA -0.145 4.382 4.527 -0.000 0.000 0.298 884 F C 1.619 177.499 175.800 0.133 0.000 1.120 884 F CA 1.043 59.040 58.000 -0.006 0.000 1.456 884 F CB -0.476 38.396 39.000 -0.213 0.000 1.088 884 F HN 0.195 nan 8.300 nan 0.000 0.572 885 H N -1.935 117.344 119.070 0.347 0.000 2.785 885 H HA 0.178 4.734 4.556 -0.000 0.000 0.268 885 H C 1.786 177.181 175.328 0.111 0.000 1.153 885 H CA 0.038 56.219 56.048 0.222 0.000 1.111 885 H CB -0.393 29.391 29.762 0.037 0.000 1.633 885 H HN 0.213 nan 8.280 nan 0.000 0.576 886 M N -0.090 119.634 119.600 0.207 0.000 2.539 886 M HA -0.063 4.417 4.480 -0.000 0.000 0.261 886 M C 0.901 177.283 176.300 0.137 0.000 1.069 886 M CA 1.590 57.000 55.300 0.183 0.000 1.081 886 M CB 0.106 32.850 32.600 0.241 0.000 1.412 886 M HN 0.103 nan 8.290 nan 0.000 0.482 887 D N -0.526 119.878 120.400 0.007 0.000 2.240 887 D HA -0.059 4.581 4.640 -0.000 0.000 0.206 887 D C 0.952 177.291 176.300 0.064 0.000 0.963 887 D CA 0.749 54.769 54.000 0.033 0.000 0.863 887 D CB -0.412 40.344 40.800 -0.073 0.000 0.973 887 D HN 0.546 nan 8.370 nan 0.000 0.501 888 N N -0.093 118.635 118.700 0.045 0.000 1.854 888 N HA -0.264 4.476 4.740 -0.000 0.000 0.172 888 N C -0.440 175.010 175.510 -0.100 0.000 0.700 888 N CA 2.650 55.663 53.050 -0.062 0.000 1.268 888 N CB -1.427 36.949 38.487 -0.185 0.000 1.408 888 N HN 0.362 nan 8.380 nan 0.000 0.428 889 C N -0.073 118.890 119.300 -0.561 0.000 2.849 889 C HA 0.494 4.954 4.460 -0.000 0.000 0.271 889 C C -1.082 173.424 174.990 -0.806 0.000 1.519 889 C CA -0.549 58.214 59.018 -0.426 0.000 1.783 889 C CB -1.863 25.646 27.740 -0.385 0.000 2.869 889 C HN 0.356 nan 8.230 nan 0.000 0.527 890 Y N 0.440 120.472 120.300 -0.447 0.000 2.409 890 Y HA 0.384 4.934 4.550 -0.000 0.000 0.343 890 Y C 0.237 175.544 175.900 -0.988 0.000 0.973 890 Y CA -1.426 56.295 58.100 -0.631 0.000 1.064 890 Y CB 0.771 39.084 38.460 -0.244 0.000 1.207 890 Y HN -0.014 nan 8.280 nan 0.000 0.452 891 K N 4.566 124.529 120.400 -0.728 0.000 2.278 891 K HA 0.417 4.737 4.320 -0.000 0.000 0.289 891 K C -1.249 175.251 176.600 -0.166 0.000 1.080 891 K CA 0.139 56.153 56.287 -0.456 0.000 0.934 891 K CB -0.256 32.112 32.500 -0.220 0.000 1.093 891 K HN 0.739 nan 8.250 nan 0.000 0.459 892 I N 7.594 128.105 120.570 -0.098 0.000 2.390 892 I HA 0.196 4.366 4.170 -0.000 0.000 0.283 892 I C -1.746 174.346 176.117 -0.042 0.000 1.016 892 I CA -2.466 58.793 61.300 -0.068 0.000 1.151 892 I CB 1.821 39.780 38.000 -0.068 0.000 1.293 892 I HN 0.502 nan 8.210 nan 0.000 0.458 893 P HA -0.099 nan 4.420 nan 0.000 0.215 893 P C -0.254 177.017 177.300 -0.049 0.000 1.153 893 P CA 1.373 64.447 63.100 -0.043 0.000 0.853 893 P CB 0.173 31.840 31.700 -0.054 0.000 0.788 894 N N 0.081 118.722 118.700 -0.098 0.000 2.626 894 N HA 0.317 5.057 4.740 -0.000 0.000 0.249 894 N C -0.876 174.551 175.510 -0.137 0.000 1.021 894 N CA -0.260 52.721 53.050 -0.115 0.000 0.886 894 N CB 1.687 40.068 38.487 -0.177 0.000 1.149 894 N HN 0.103 nan 8.380 nan 0.000 0.517 895 I N 0.778 121.320 120.570 -0.048 0.000 2.608 895 I HA 0.458 4.628 4.170 -0.000 0.000 0.295 895 I C -0.938 175.210 176.117 0.051 0.000 1.049 895 I CA -0.917 60.371 61.300 -0.020 0.000 1.063 895 I CB 2.275 40.283 38.000 0.013 0.000 1.248 895 I HN 0.260 nan 8.210 nan 0.000 0.424 896 R N 5.354 125.894 120.500 0.068 0.000 2.502 896 R HA 0.630 4.970 4.340 -0.000 0.000 0.298 896 R C -1.423 174.961 176.300 0.140 0.000 1.018 896 R CA -0.580 55.586 56.100 0.110 0.000 0.899 896 R CB 1.820 32.185 30.300 0.108 0.000 1.181 896 R HN 0.818 nan 8.270 nan 0.000 0.444 897 G N 2.310 111.213 108.800 0.173 0.000 2.683 897 G HA2 0.421 4.381 3.960 -0.000 0.000 0.299 897 G HA3 0.421 4.381 3.960 -0.000 0.000 0.299 897 G C -0.641 174.365 174.900 0.176 0.000 1.432 897 G CA -0.409 44.825 45.100 0.224 0.000 0.978 897 G HN 0.577 nan 8.290 nan 0.000 0.513 898 T N -0.553 114.105 114.554 0.174 0.000 2.942 898 T HA 0.885 5.235 4.350 -0.000 0.000 0.289 898 T C 0.120 174.836 174.700 0.027 0.000 1.044 898 T CA -0.594 61.537 62.100 0.052 0.000 1.023 898 T CB 2.444 71.298 68.868 -0.022 0.000 1.123 898 T HN 1.192 nan 8.240 nan 0.000 0.512 899 G N 0.688 109.399 108.800 -0.148 0.000 2.706 899 G HA2 0.645 4.605 3.960 -0.000 0.000 0.297 899 G HA3 0.645 4.605 3.960 -0.000 0.000 0.297 899 G C -1.558 173.110 174.900 -0.385 0.000 1.403 899 G CA -0.914 44.040 45.100 -0.242 0.000 0.954 899 G HN 0.631 nan 8.290 nan 0.000 0.500 900 R N 0.867 121.072 120.500 -0.491 0.000 2.575 900 R HA 0.365 4.705 4.340 -0.000 0.000 0.293 900 R C -0.827 175.368 176.300 -0.175 0.000 0.983 900 R CA -0.841 54.984 56.100 -0.457 0.000 0.887 900 R CB 1.818 31.660 30.300 -0.764 0.000 1.184 900 R HN 0.475 nan 8.270 nan 0.000 0.445 901 L N 3.228 124.439 121.223 -0.021 0.000 2.268 901 L HA 0.377 4.717 4.340 -0.000 0.000 0.289 901 L C -0.047 177.046 176.870 0.371 0.000 1.064 901 L CA -0.689 54.242 54.840 0.152 0.000 0.824 901 L CB 0.910 43.077 42.059 0.180 0.000 1.202 901 L HN 0.419 nan 8.230 nan 0.000 0.433 902 C N 3.439 122.941 119.300 0.336 0.000 2.464 902 C HA 0.092 4.552 4.460 -0.000 0.000 0.370 902 C C 1.001 176.065 174.990 0.123 0.000 1.267 902 C CA -0.713 58.476 59.018 0.286 0.000 1.781 902 C CB -0.308 27.570 27.740 0.230 0.000 2.431 902 C HN 0.648 nan 8.230 nan 0.000 0.556 903 K N 3.746 124.061 120.400 -0.142 0.000 2.292 903 K HA 0.314 4.634 4.320 -0.000 0.000 0.290 903 K C 0.365 176.827 176.600 -0.229 0.000 1.083 903 K CA 0.309 56.354 56.287 -0.404 0.000 0.918 903 K CB 0.315 32.273 32.500 -0.903 0.000 1.089 903 K HN 0.902 nan 8.250 nan 0.000 0.473 904 T N 0.418 114.911 114.554 -0.102 0.000 2.887 904 T HA 0.275 4.625 4.350 -0.000 0.000 0.292 904 T C -0.165 174.466 174.700 -0.115 0.000 1.087 904 T CA -1.057 60.971 62.100 -0.120 0.000 1.009 904 T CB 0.990 69.801 68.868 -0.096 0.000 1.203 904 T HN 0.521 nan 8.240 nan 0.000 0.518 905 N N 0.797 119.413 118.700 -0.140 0.000 3.245 905 N HA 0.489 5.229 4.740 -0.000 0.000 0.296 905 N C -0.916 174.540 175.510 -0.090 0.000 1.254 905 N CA -0.197 52.773 53.050 -0.133 0.000 1.190 905 N CB -0.285 38.115 38.487 -0.145 0.000 1.460 905 N HN 0.371 nan 8.380 nan 0.000 0.538 906 L N 0.423 121.598 121.223 -0.081 0.000 2.409 906 L HA 0.600 4.939 4.340 -0.000 0.000 0.255 906 L C -2.320 174.527 176.870 -0.039 0.000 1.027 906 L CA -2.500 52.296 54.840 -0.073 0.000 0.834 906 L CB 2.545 44.513 42.059 -0.151 0.000 1.426 906 L HN 0.082 nan 8.230 nan 0.000 0.411 907 P HA -0.031 nan 4.420 nan 0.000 0.268 907 P C -0.390 176.901 177.300 -0.015 0.000 1.204 907 P CA 0.071 63.177 63.100 0.010 0.000 0.768 907 P CB 0.984 32.721 31.700 0.062 0.000 0.842 908 S N 3.603 119.288 115.700 -0.026 0.000 2.555 908 S HA 0.026 4.496 4.470 -0.000 0.000 0.293 908 S C 0.519 175.095 174.600 -0.039 0.000 1.248 908 S CA -0.288 57.891 58.200 -0.035 0.000 1.096 908 S CB -0.971 62.212 63.200 -0.030 0.000 0.881 908 S HN 0.300 nan 8.310 nan 0.000 0.498 909 N N 2.787 121.403 118.700 -0.140 0.000 2.381 909 N HA 0.351 5.091 4.740 -0.000 0.000 0.254 909 N C 0.390 175.856 175.510 -0.072 0.000 1.264 909 N CA -0.052 52.868 53.050 -0.217 0.000 0.942 909 N CB 1.302 39.419 38.487 -0.616 0.000 1.190 909 N HN 0.675 nan 8.380 nan 0.000 0.495 910 T N -1.604 113.037 114.554 0.144 0.000 2.606 910 T HA 0.585 4.935 4.350 -0.000 0.000 0.289 910 T C -1.300 173.662 174.700 0.437 0.000 1.113 910 T CA -0.438 61.865 62.100 0.339 0.000 1.106 910 T CB 0.131 69.154 68.868 0.257 0.000 1.611 910 T HN 0.488 nan 8.240 nan 0.000 0.471 911 A N 0.957 124.028 122.820 0.418 0.000 2.498 911 A HA 0.578 4.898 4.320 -0.000 0.000 0.239 911 A C -0.939 177.024 177.584 0.632 0.000 1.068 911 A CA 0.204 52.553 52.037 0.521 0.000 0.766 911 A CB -0.578 18.813 19.000 0.652 0.000 1.003 911 A HN 0.676 nan 8.150 nan 0.000 0.497 912 F N 1.759 121.965 119.950 0.426 0.000 2.651 912 F HA 0.373 4.900 4.527 -0.000 0.000 0.329 912 F C 0.225 176.186 175.800 0.269 0.000 1.186 912 F CA -0.902 57.302 58.000 0.340 0.000 1.046 912 F CB 1.317 40.352 39.000 0.059 0.000 1.296 912 F HN 0.795 nan 8.300 nan 0.000 0.497 913 R N 3.437 124.325 120.500 0.647 0.000 3.097 913 R HA 0.179 4.519 4.340 -0.000 0.000 0.253 913 R C 1.037 177.539 176.300 0.337 0.000 0.766 913 R CA 2.155 58.518 56.100 0.439 0.000 1.062 913 R CB -0.510 30.040 30.300 0.417 0.000 0.935 913 R HN 1.275 nan 8.270 nan 0.000 0.388 914 G N 3.735 112.686 108.800 0.252 0.000 2.481 914 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.200 914 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.200 914 G C 0.223 175.368 174.900 0.408 0.000 1.012 914 G CA -0.105 45.128 45.100 0.221 0.000 0.676 914 G HN 0.740 nan 8.290 nan 0.000 0.488 915 F N 1.112 121.179 119.950 0.194 0.000 2.907 915 F HA 0.027 4.554 4.527 -0.000 0.000 0.244 915 F C 1.882 177.727 175.800 0.073 0.000 1.007 915 F CA 2.740 60.836 58.000 0.159 0.000 0.872 915 F CB -0.958 38.140 39.000 0.163 0.000 0.767 915 F HN 1.966 nan 8.300 nan 0.000 0.837 916 G N -0.652 108.119 108.800 -0.048 0.000 2.299 916 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.237 916 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.237 916 G C 1.470 176.257 174.900 -0.189 0.000 1.027 916 G CA 0.636 45.641 45.100 -0.158 0.000 0.619 916 G HN 1.447 nan 8.290 nan 0.000 0.513 917 G N 1.739 110.475 108.800 -0.107 0.000 2.421 917 G HA2 0.063 4.023 3.960 -0.000 0.000 0.216 917 G HA3 0.063 4.023 3.960 -0.000 0.000 0.216 917 G C 0.108 174.898 174.900 -0.184 0.000 1.171 917 G CA 1.978 46.940 45.100 -0.231 0.000 0.775 917 G HN 0.545 nan 8.290 nan 0.000 0.543 918 P HA -0.115 nan 4.420 nan 0.000 0.216 918 P C 1.807 179.068 177.300 -0.064 0.000 1.153 918 P CA 1.419 64.539 63.100 0.032 0.000 0.858 918 P CB -0.001 31.756 31.700 0.095 0.000 0.789 919 Q N -1.037 118.604 119.800 -0.265 0.000 2.046 919 Q HA -0.045 4.295 4.340 -0.000 0.000 0.200 919 Q C 2.459 178.264 176.000 -0.325 0.000 0.975 919 Q CA 1.908 57.447 55.803 -0.440 0.000 0.836 919 Q CB -1.496 26.508 28.738 -1.224 0.000 0.896 919 Q HN 0.226 nan 8.270 nan 0.000 0.428 920 G N 0.156 108.771 108.800 -0.308 0.000 2.442 920 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 920 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 920 G C 1.329 176.183 174.900 -0.077 0.000 1.141 920 G CA 0.931 45.987 45.100 -0.074 0.000 0.763 920 G HN 0.235 nan 8.290 nan 0.000 0.554 921 M N -0.600 118.819 119.600 -0.303 0.000 2.447 921 M HA 0.218 4.698 4.480 -0.000 0.000 0.264 921 M C 2.265 178.365 176.300 -0.333 0.000 1.095 921 M CA 0.342 55.314 55.300 -0.547 0.000 1.125 921 M CB 0.016 31.792 32.600 -1.374 0.000 1.389 921 M HN 0.226 nan 8.290 nan 0.000 0.459 922 L N 0.738 121.912 121.223 -0.082 0.000 2.109 922 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 922 L C 2.007 178.893 176.870 0.028 0.000 1.086 922 L CA 1.645 56.569 54.840 0.140 0.000 0.760 922 L CB -0.252 41.773 42.059 -0.058 0.000 0.910 922 L HN 0.192 nan 8.230 nan 0.000 0.437 923 I N -0.623 119.941 120.570 -0.010 0.000 2.226 923 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 923 I C 2.595 178.583 176.117 -0.214 0.000 1.100 923 I CA 1.094 62.408 61.300 0.022 0.000 1.374 923 I CB -0.666 37.431 38.000 0.162 0.000 1.057 923 I HN 0.326 nan 8.210 nan 0.000 0.413 924 A N 0.518 123.194 122.820 -0.240 0.000 1.865 924 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 924 A C 2.195 179.070 177.584 -1.180 0.000 1.191 924 A CA 1.626 53.281 52.037 -0.637 0.000 0.623 924 A CB -0.492 18.377 19.000 -0.218 0.000 0.826 924 A HN 0.336 nan 8.150 nan 0.000 0.444 925 E N -0.715 119.144 120.200 -0.568 0.000 2.338 925 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 925 E C 1.958 178.065 176.600 -0.821 0.000 1.007 925 E CA 0.790 56.800 56.400 -0.650 0.000 0.849 925 E CB -0.739 28.727 29.700 -0.391 0.000 0.774 925 E HN 0.658 nan 8.360 nan 0.000 0.506 926 C N 1.202 120.237 119.300 -0.442 0.000 2.489 926 C HA -0.059 4.401 4.460 -0.000 0.000 0.279 926 C C 2.598 177.384 174.990 -0.339 0.000 1.266 926 C CA 0.715 59.663 59.018 -0.117 0.000 1.707 926 C CB -1.236 26.529 27.740 0.043 0.000 2.059 926 C HN 0.724 nan 8.230 nan 0.000 0.481 927 W N 0.212 121.217 121.300 -0.491 0.000 2.519 927 W HA 0.026 4.686 4.660 -0.000 0.000 0.266 927 W C 1.991 178.278 176.519 -0.387 0.000 1.253 927 W CA 0.718 57.737 57.345 -0.544 0.000 1.274 927 W CB -1.195 27.807 29.460 -0.763 0.000 1.114 927 W HN 0.299 nan 8.180 nan 0.000 0.596 928 M N 3.299 122.466 119.600 -0.722 0.000 2.175 928 M HA -0.149 4.331 4.480 -0.000 0.000 0.264 928 M C 2.368 178.415 176.300 -0.422 0.000 1.063 928 M CA 2.685 57.614 55.300 -0.617 0.000 1.119 928 M CB -0.840 31.175 32.600 -0.974 0.000 1.377 928 M HN 0.025 nan 8.290 nan 0.000 0.415 929 S N -1.002 114.438 115.700 -0.434 0.000 2.453 929 S HA -0.063 4.407 4.470 -0.000 0.000 0.231 929 S C 1.707 176.209 174.600 -0.164 0.000 1.005 929 S CA 1.117 59.140 58.200 -0.295 0.000 0.949 929 S CB -0.730 62.278 63.200 -0.320 0.000 0.774 929 S HN 0.676 nan 8.310 nan 0.000 0.510 930 E N 0.657 120.773 120.200 -0.139 0.000 2.299 930 E HA 0.059 4.409 4.350 -0.000 0.000 0.193 930 E C 1.817 178.338 176.600 -0.132 0.000 0.998 930 E CA 0.526 56.892 56.400 -0.058 0.000 0.851 930 E CB -0.072 29.652 29.700 0.039 0.000 0.795 930 E HN 0.378 nan 8.360 nan 0.000 0.492 931 V N 1.267 121.000 119.914 -0.301 0.000 2.453 931 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 931 V C 2.258 178.136 176.094 -0.359 0.000 1.048 931 V CA 1.804 63.696 62.300 -0.680 0.000 1.049 931 V CB -0.337 31.032 31.823 -0.757 0.000 0.672 931 V HN 0.275 nan 8.190 nan 0.000 0.457 932 A N -0.489 122.204 122.820 -0.212 0.000 1.968 932 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 932 A C 2.312 179.880 177.584 -0.027 0.000 1.169 932 A CA 1.609 53.586 52.037 -0.101 0.000 0.638 932 A CB -0.381 18.567 19.000 -0.088 0.000 0.812 932 A HN 0.339 nan 8.150 nan 0.000 0.446 933 V N -0.551 119.352 119.914 -0.018 0.000 2.379 933 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 933 V C 2.678 178.817 176.094 0.075 0.000 1.044 933 V CA 2.336 64.659 62.300 0.039 0.000 1.036 933 V CB -1.087 30.768 31.823 0.053 0.000 0.664 933 V HN 0.557 nan 8.190 nan 0.000 0.453 934 T N -1.072 113.541 114.554 0.099 0.000 2.821 934 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 934 T C 1.721 176.541 174.700 0.199 0.000 1.046 934 T CA 1.860 64.075 62.100 0.192 0.000 1.139 934 T CB -0.401 68.690 68.868 0.371 0.000 0.871 934 T HN 0.528 nan 8.240 nan 0.000 0.454 935 C N 1.117 120.528 119.300 0.185 0.000 2.576 935 C HA 0.432 4.892 4.460 -0.000 0.000 0.267 935 C C 2.060 177.108 174.990 0.097 0.000 1.364 935 C CA -0.505 58.611 59.018 0.164 0.000 1.723 935 C CB -1.483 26.352 27.740 0.159 0.000 1.778 935 C HN 0.791 nan 8.230 nan 0.000 0.572 936 G N 1.245 110.093 108.800 0.080 0.000 2.305 936 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.287 936 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.287 936 G C -0.202 174.731 174.900 0.055 0.000 1.036 936 G CA 0.526 45.664 45.100 0.063 0.000 0.887 936 G HN 0.559 nan 8.290 nan 0.000 0.505 937 M N -0.770 118.859 119.600 0.049 0.000 2.777 937 M HA 0.504 4.984 4.480 -0.000 0.000 0.307 937 M C -2.433 173.897 176.300 0.051 0.000 1.228 937 M CA -2.326 53.003 55.300 0.049 0.000 0.871 937 M CB 1.560 34.187 32.600 0.045 0.000 1.721 937 M HN -0.130 nan 8.290 nan 0.000 0.487 938 P HA 0.177 nan 4.420 nan 0.000 0.276 938 P C -0.219 177.134 177.300 0.089 0.000 1.243 938 P CA -0.014 63.141 63.100 0.093 0.000 0.768 938 P CB 0.725 32.504 31.700 0.131 0.000 0.856 939 A N 3.814 126.681 122.820 0.079 0.000 1.927 939 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 939 A C 2.113 179.757 177.584 0.099 0.000 1.185 939 A CA 1.660 53.726 52.037 0.048 0.000 0.639 939 A CB -1.008 18.015 19.000 0.039 0.000 0.820 939 A HN 0.603 nan 8.150 nan 0.000 0.451 940 E N -0.042 120.261 120.200 0.171 0.000 2.070 940 E HA -0.263 4.087 4.350 -0.000 0.000 0.197 940 E C 2.006 178.769 176.600 0.271 0.000 1.004 940 E CA 1.837 58.390 56.400 0.256 0.000 0.805 940 E CB -0.293 29.527 29.700 0.200 0.000 0.744 940 E HN 0.783 nan 8.360 nan 0.000 0.451 941 E N -0.240 120.075 120.200 0.192 0.000 2.051 941 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 941 E C 2.282 178.908 176.600 0.044 0.000 0.991 941 E CA 1.286 57.766 56.400 0.133 0.000 0.799 941 E CB 0.129 29.901 29.700 0.119 0.000 0.748 941 E HN 0.110 nan 8.360 nan 0.000 0.449 942 V N 1.333 121.251 119.914 0.008 0.000 2.332 942 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 942 V C 2.420 178.422 176.094 -0.152 0.000 1.055 942 V CA 2.033 64.288 62.300 -0.074 0.000 1.038 942 V CB -0.510 31.249 31.823 -0.107 0.000 0.651 942 V HN 0.267 nan 8.190 nan 0.000 0.450 943 R N -0.478 119.941 120.500 -0.136 0.000 2.073 943 R HA -0.124 4.216 4.340 -0.000 0.000 0.229 943 R C 2.519 178.680 176.300 -0.232 0.000 1.120 943 R CA 1.468 57.438 56.100 -0.216 0.000 0.967 943 R CB -0.407 29.848 30.300 -0.075 0.000 0.862 943 R HN 0.474 nan 8.270 nan 0.000 0.436 944 R N 2.377 122.747 120.500 -0.217 0.000 2.080 944 R HA -0.184 4.156 4.340 -0.000 0.000 0.236 944 R C 2.041 178.249 176.300 -0.154 0.000 1.137 944 R CA 2.256 58.188 56.100 -0.281 0.000 0.943 944 R CB -0.143 30.115 30.300 -0.071 0.000 0.846 944 R HN 0.191 nan 8.270 nan 0.000 0.431 945 K N -0.687 119.662 120.400 -0.086 0.000 2.362 945 K HA -0.040 4.280 4.320 -0.000 0.000 0.200 945 K C 1.085 177.642 176.600 -0.071 0.000 1.046 945 K CA 1.436 57.687 56.287 -0.060 0.000 0.952 945 K CB -0.014 32.465 32.500 -0.034 0.000 0.753 945 K HN 0.199 nan 8.250 nan 0.000 0.466 946 N N 0.437 119.077 118.700 -0.099 0.000 2.254 946 N HA 0.053 4.793 4.740 -0.000 0.000 0.190 946 N C -0.296 175.224 175.510 0.016 0.000 1.107 946 N CA -0.128 52.870 53.050 -0.087 0.000 0.869 946 N CB 0.169 38.523 38.487 -0.222 0.000 0.983 946 N HN 0.089 nan 8.380 nan 0.000 0.487 947 L N 1.991 123.227 121.223 0.022 0.000 2.525 947 L HA -0.009 4.331 4.340 -0.000 0.000 0.278 947 L C 0.363 177.221 176.870 -0.020 0.000 1.218 947 L CA 0.132 54.976 54.840 0.007 0.000 0.878 947 L CB -0.157 41.831 42.059 -0.118 0.000 1.127 947 L HN 0.073 nan 8.230 nan 0.000 0.492 948 Y N 3.483 123.752 120.300 -0.051 0.000 2.285 948 Y HA 0.168 4.718 4.550 -0.000 0.000 0.356 948 Y C 0.655 176.358 175.900 -0.329 0.000 1.267 948 Y CA 0.223 58.159 58.100 -0.273 0.000 1.574 948 Y CB 0.281 38.407 38.460 -0.556 0.000 1.378 948 Y HN 0.552 nan 8.280 nan 0.000 0.679 949 K N -0.184 120.024 120.400 -0.319 0.000 2.523 949 K HA 0.408 4.728 4.320 -0.000 0.000 0.257 949 K C -1.304 175.038 176.600 -0.430 0.000 0.932 949 K CA -1.181 54.953 56.287 -0.256 0.000 0.812 949 K CB 1.688 34.142 32.500 -0.076 0.000 1.326 949 K HN 0.419 nan 8.250 nan 0.000 0.433 950 E N 1.255 121.329 120.200 -0.211 0.000 3.131 950 E HA -0.012 4.338 4.350 -0.000 0.000 0.258 950 E C 0.956 177.453 176.600 -0.173 0.000 0.901 950 E CA 2.605 58.924 56.400 -0.136 0.000 0.964 950 E CB -0.421 29.300 29.700 0.035 0.000 0.903 950 E HN 0.866 nan 8.360 nan 0.000 0.537 951 G N 3.935 112.610 108.800 -0.208 0.000 2.279 951 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.223 951 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.223 951 G C 0.043 174.815 174.900 -0.213 0.000 1.015 951 G CA -0.039 44.962 45.100 -0.164 0.000 0.621 951 G HN 0.659 nan 8.290 nan 0.000 0.506 952 D N 0.578 120.803 120.400 -0.291 0.000 2.364 952 D HA 0.404 5.044 4.640 -0.000 0.000 0.236 952 D C 0.851 176.939 176.300 -0.353 0.000 1.221 952 D CA 0.422 54.261 54.000 -0.269 0.000 0.891 952 D CB 0.542 41.212 40.800 -0.216 0.000 1.190 952 D HN 0.331 nan 8.370 nan 0.000 0.449 953 L N 0.990 122.053 121.223 -0.267 0.000 2.322 953 L HA 0.247 4.587 4.340 -0.000 0.000 0.281 953 L C 1.014 177.680 176.870 -0.339 0.000 1.014 953 L CA -0.782 53.874 54.840 -0.306 0.000 0.815 953 L CB 1.784 43.736 42.059 -0.180 0.000 1.247 953 L HN 0.445 nan 8.230 nan 0.000 0.421 954 T N -2.706 111.503 114.554 -0.575 0.000 2.748 954 T HA 0.007 4.357 4.350 -0.000 0.000 0.304 954 T C 1.459 175.993 174.700 -0.278 0.000 1.041 954 T CA -0.283 61.509 62.100 -0.513 0.000 1.033 954 T CB 0.461 68.635 68.868 -1.156 0.000 0.995 954 T HN 0.732 nan 8.240 nan 0.000 0.536 955 H N 0.455 119.458 119.070 -0.112 0.000 2.518 955 H HA -0.066 4.490 4.556 -0.000 0.000 0.292 955 H C 1.115 176.496 175.328 0.088 0.000 1.068 955 H CA 1.219 57.288 56.048 0.035 0.000 1.275 955 H CB -0.866 28.983 29.762 0.144 0.000 1.375 955 H HN 0.798 nan 8.280 nan 0.000 0.563 956 F N -0.041 119.661 119.950 -0.415 0.000 2.641 956 F HA 0.397 4.923 4.527 -0.000 0.000 0.302 956 F C 0.103 175.879 175.800 -0.041 0.000 1.098 956 F CA -0.879 56.977 58.000 -0.240 0.000 1.318 956 F CB -0.112 38.619 39.000 -0.447 0.000 1.035 956 F HN -0.126 nan 8.300 nan 0.000 0.551 957 N N 1.117 119.670 118.700 -0.245 0.000 2.776 957 N HA -0.250 4.490 4.740 -0.000 0.000 0.250 957 N C -0.147 175.262 175.510 -0.168 0.000 1.112 957 N CA 0.951 53.906 53.050 -0.159 0.000 0.733 957 N CB -1.209 37.273 38.487 -0.009 0.000 1.097 957 N HN 0.743 nan 8.380 nan 0.000 0.558 958 Q N 0.764 120.356 119.800 -0.347 0.000 2.230 958 Q HA 0.367 4.707 4.340 -0.000 0.000 0.248 958 Q C 0.022 175.888 176.000 -0.223 0.000 0.915 958 Q CA -0.586 55.132 55.803 -0.143 0.000 0.900 958 Q CB 1.101 29.890 28.738 0.085 0.000 1.229 958 Q HN 0.133 nan 8.270 nan 0.000 0.439 959 K N 2.811 123.143 120.400 -0.113 0.000 2.270 959 K HA 0.219 4.539 4.320 -0.000 0.000 0.276 959 K C -0.982 175.521 176.600 -0.162 0.000 1.023 959 K CA -0.035 56.161 56.287 -0.152 0.000 0.955 959 K CB 0.507 32.959 32.500 -0.079 0.000 0.975 959 K HN 0.585 nan 8.250 nan 0.000 0.471 960 L N 5.203 126.254 121.223 -0.288 0.000 2.353 960 L HA 0.258 4.598 4.340 -0.000 0.000 0.269 960 L C -0.240 176.571 176.870 -0.100 0.000 1.085 960 L CA -0.231 54.445 54.840 -0.275 0.000 0.938 960 L CB 0.393 42.073 42.059 -0.632 0.000 1.312 960 L HN 0.653 nan 8.230 nan 0.000 0.429 961 E N 1.567 121.787 120.200 0.034 0.000 2.204 961 E HA 0.431 4.781 4.350 -0.000 0.000 0.276 961 E C 0.660 177.349 176.600 0.150 0.000 0.974 961 E CA -0.363 56.076 56.400 0.065 0.000 0.815 961 E CB 1.931 31.656 29.700 0.041 0.000 1.119 961 E HN 0.631 nan 8.360 nan 0.000 0.393 962 G N 2.651 111.529 108.800 0.130 0.000 2.225 962 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.264 962 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.264 962 G C -0.318 174.713 174.900 0.218 0.000 1.060 962 G CA -0.253 44.934 45.100 0.144 0.000 0.833 962 G HN 0.470 nan 8.290 nan 0.000 0.498 963 F N 2.815 122.742 119.950 -0.039 0.000 2.512 963 F HA 0.437 4.964 4.527 -0.000 0.000 0.350 963 F C 1.724 177.350 175.800 -0.290 0.000 1.212 963 F CA 0.428 58.275 58.000 -0.255 0.000 1.099 963 F CB 0.435 39.278 39.000 -0.261 0.000 1.238 963 F HN 0.177 nan 8.300 nan 0.000 0.600 964 T N 3.668 117.855 114.554 -0.610 0.000 3.122 964 T HA 0.026 4.376 4.350 -0.000 0.000 0.250 964 T C 2.005 176.355 174.700 -0.585 0.000 1.067 964 T CA -0.089 61.768 62.100 -0.404 0.000 0.966 964 T CB -0.039 68.787 68.868 -0.070 0.000 1.002 964 T HN 0.581 nan 8.240 nan 0.000 0.542 965 L N 1.719 122.185 121.223 -1.263 0.000 2.042 965 L HA 0.041 4.381 4.340 -0.000 0.000 0.210 965 L C -0.873 175.752 176.870 -0.408 0.000 1.076 965 L CA 2.019 56.343 54.840 -0.859 0.000 0.749 965 L CB -1.298 40.015 42.059 -1.244 0.000 0.893 965 L HN 0.176 nan 8.230 nan 0.000 0.432 966 P HA -0.157 nan 4.420 nan 0.000 0.215 966 P C 1.536 178.842 177.300 0.010 0.000 1.157 966 P CA 1.535 64.572 63.100 -0.106 0.000 0.868 966 P CB -0.121 31.537 31.700 -0.070 0.000 0.788 967 R N -1.135 119.335 120.500 -0.050 0.000 2.096 967 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 967 R C 2.263 178.578 176.300 0.024 0.000 1.127 967 R CA 1.548 57.645 56.100 -0.005 0.000 0.968 967 R CB -1.232 29.052 30.300 -0.026 0.000 0.861 967 R HN 0.270 nan 8.270 nan 0.000 0.440 968 C N -0.588 118.723 119.300 0.019 0.000 2.453 968 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 968 C C 2.398 177.442 174.990 0.091 0.000 1.262 968 C CA -0.094 58.954 59.018 0.050 0.000 1.718 968 C CB -1.068 26.709 27.740 0.062 0.000 2.031 968 C HN 0.667 nan 8.230 nan 0.000 0.480 969 W N 1.777 123.036 121.300 -0.068 0.000 2.333 969 W HA -0.174 4.486 4.660 -0.000 0.000 0.316 969 W C 2.216 178.713 176.519 -0.036 0.000 1.215 969 W CA 1.983 59.295 57.345 -0.056 0.000 1.278 969 W CB -0.468 28.958 29.460 -0.056 0.000 1.154 969 W HN 0.316 nan 8.180 nan 0.000 0.486 970 E N 0.446 120.747 120.200 0.169 0.000 2.023 970 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 970 E C 1.973 178.571 176.600 -0.003 0.000 1.003 970 E CA 2.190 58.637 56.400 0.080 0.000 0.809 970 E CB -0.788 28.970 29.700 0.095 0.000 0.755 970 E HN 0.353 nan 8.360 nan 0.000 0.449 971 E N -0.661 119.540 120.200 0.002 0.000 2.153 971 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 971 E C 2.219 178.792 176.600 -0.045 0.000 0.988 971 E CA 1.017 57.408 56.400 -0.014 0.000 0.811 971 E CB -0.227 29.471 29.700 -0.003 0.000 0.746 971 E HN 0.304 nan 8.360 nan 0.000 0.466 972 C N 0.484 119.733 119.300 -0.084 0.000 2.457 972 C HA -0.013 4.447 4.460 -0.000 0.000 0.278 972 C C 2.454 177.341 174.990 -0.172 0.000 1.309 972 C CA 0.286 59.227 59.018 -0.128 0.000 1.735 972 C CB -0.900 26.735 27.740 -0.174 0.000 1.992 972 C HN 0.397 nan 8.230 nan 0.000 0.493 973 L N 0.760 121.843 121.223 -0.234 0.000 2.083 973 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 973 L C 2.875 179.732 176.870 -0.021 0.000 1.083 973 L CA 1.601 56.327 54.840 -0.191 0.000 0.752 973 L CB -0.460 41.473 42.059 -0.209 0.000 0.899 973 L HN 0.477 nan 8.230 nan 0.000 0.433 974 A N -1.520 121.291 122.820 -0.014 0.000 1.878 974 A HA -0.162 4.158 4.320 -0.000 0.000 0.213 974 A C 2.461 180.050 177.584 0.009 0.000 1.192 974 A CA 1.419 53.465 52.037 0.016 0.000 0.619 974 A CB -0.616 18.391 19.000 0.012 0.000 0.837 974 A HN 0.326 nan 8.150 nan 0.000 0.446 975 S N 0.664 116.358 115.700 -0.009 0.000 2.365 975 S HA -0.190 4.280 4.470 -0.000 0.000 0.225 975 S C 2.229 176.828 174.600 -0.000 0.000 1.039 975 S CA 2.528 60.723 58.200 -0.008 0.000 1.033 975 S CB -0.501 62.688 63.200 -0.018 0.000 0.887 975 S HN 0.853 nan 8.310 nan 0.000 0.447 976 S N 0.129 115.826 115.700 -0.005 0.000 2.496 976 S HA 0.117 4.587 4.470 -0.000 0.000 0.224 976 S C 0.542 175.164 174.600 0.037 0.000 0.996 976 S CA 0.510 58.717 58.200 0.012 0.000 0.927 976 S CB -0.574 62.626 63.200 0.001 0.000 0.774 976 S HN 0.660 nan 8.310 nan 0.000 0.524 977 Q N -0.456 119.373 119.800 0.048 0.000 2.460 977 Q HA -0.263 4.077 4.340 -0.000 0.000 0.311 977 Q C 0.129 176.171 176.000 0.069 0.000 1.396 977 Q CA 0.666 56.506 55.803 0.062 0.000 0.838 977 Q CB -2.229 26.530 28.738 0.034 0.000 1.140 977 Q HN 0.775 nan 8.270 nan 0.000 0.415 978 Y N 0.159 120.422 120.300 -0.061 0.000 2.070 978 Y HA -0.300 4.250 4.550 -0.000 0.000 0.280 978 Y C 2.005 177.812 175.900 -0.156 0.000 1.148 978 Y CA 2.749 60.760 58.100 -0.148 0.000 1.125 978 Y CB -0.198 38.099 38.460 -0.272 0.000 0.975 978 Y HN 0.482 nan 8.280 nan 0.000 0.492 979 H N -0.685 118.343 119.070 -0.070 0.000 2.387 979 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 979 H C 2.271 177.512 175.328 -0.145 0.000 1.090 979 H CA 1.496 57.454 56.048 -0.150 0.000 1.332 979 H CB -0.450 29.312 29.762 -0.001 0.000 1.386 979 H HN 0.470 nan 8.280 nan 0.000 0.516 980 A N 0.833 123.668 122.820 0.025 0.000 1.873 980 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 980 A C 2.223 179.772 177.584 -0.057 0.000 1.186 980 A CA 1.280 53.315 52.037 -0.003 0.000 0.616 980 A CB -0.334 18.675 19.000 0.015 0.000 0.823 980 A HN 0.275 nan 8.150 nan 0.000 0.442 981 R N -0.454 119.992 120.500 -0.091 0.000 2.193 981 R HA -0.124 4.216 4.340 -0.000 0.000 0.229 981 R C 2.187 178.393 176.300 -0.156 0.000 1.110 981 R CA 1.415 57.453 56.100 -0.103 0.000 0.988 981 R CB -0.196 30.051 30.300 -0.089 0.000 0.871 981 R HN 0.625 nan 8.270 nan 0.000 0.458 982 K N 0.091 120.331 120.400 -0.267 0.000 2.147 982 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 982 K C 1.639 178.163 176.600 -0.128 0.000 1.049 982 K CA 1.583 57.702 56.287 -0.281 0.000 0.936 982 K CB 0.139 32.384 32.500 -0.426 0.000 0.722 982 K HN 0.012 nan 8.250 nan 0.000 0.446 983 S N 0.829 116.479 115.700 -0.083 0.000 2.414 983 S HA -0.104 4.366 4.470 -0.000 0.000 0.227 983 S C 1.651 176.245 174.600 -0.010 0.000 1.022 983 S CA 0.774 58.955 58.200 -0.032 0.000 0.958 983 S CB -0.049 63.141 63.200 -0.016 0.000 0.797 983 S HN 0.418 nan 8.310 nan 0.000 0.493 984 E N 1.643 121.834 120.200 -0.015 0.000 2.051 984 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 984 E C 1.988 178.614 176.600 0.044 0.000 0.991 984 E CA 1.222 57.632 56.400 0.017 0.000 0.799 984 E CB -0.149 29.552 29.700 0.001 0.000 0.748 984 E HN 0.312 nan 8.360 nan 0.000 0.449 985 V N 2.348 122.263 119.914 0.002 0.000 2.255 985 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 985 V C 2.147 178.288 176.094 0.079 0.000 1.051 985 V CA 2.280 64.590 62.300 0.018 0.000 1.018 985 V CB -0.705 31.095 31.823 -0.038 0.000 0.641 985 V HN 0.240 nan 8.190 nan 0.000 0.445 986 D N -0.175 120.246 120.400 0.036 0.000 2.158 986 D HA -0.225 4.415 4.640 -0.000 0.000 0.197 986 D C 2.128 178.465 176.300 0.061 0.000 0.995 986 D CA 1.678 55.701 54.000 0.040 0.000 0.846 986 D CB -0.227 40.580 40.800 0.012 0.000 0.941 986 D HN 0.467 nan 8.370 nan 0.000 0.456 987 K N -0.373 120.068 120.400 0.069 0.000 2.025 987 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 987 K C 2.158 178.815 176.600 0.095 0.000 1.049 987 K CA 0.669 56.995 56.287 0.065 0.000 0.933 987 K CB -0.292 32.244 32.500 0.060 0.000 0.714 987 K HN 0.031 nan 8.250 nan 0.000 0.438 988 F N 2.516 122.466 119.950 0.000 0.000 2.069 988 F HA -0.251 4.275 4.527 -0.000 0.000 0.298 988 F C 1.764 177.570 175.800 0.009 0.000 1.113 988 F CA 1.787 59.793 58.000 0.011 0.000 1.214 988 F CB -0.385 38.623 39.000 0.013 0.000 0.978 988 F HN 0.141 nan 8.300 nan 0.000 0.474 989 N N 0.695 119.560 118.700 0.276 0.000 2.348 989 N HA -0.175 4.565 4.740 -0.000 0.000 0.185 989 N C 1.591 177.096 175.510 -0.010 0.000 1.019 989 N CA 1.347 54.479 53.050 0.136 0.000 0.880 989 N CB -0.320 38.236 38.487 0.115 0.000 0.965 989 N HN 0.487 nan 8.380 nan 0.000 0.437 990 K N 0.731 121.121 120.400 -0.016 0.000 2.186 990 K HA 0.033 4.353 4.320 -0.000 0.000 0.202 990 K C 1.284 177.846 176.600 -0.063 0.000 1.052 990 K CA 0.647 56.912 56.287 -0.037 0.000 0.965 990 K CB 0.197 32.688 32.500 -0.016 0.000 0.746 990 K HN 0.298 nan 8.250 nan 0.000 0.457 991 E N 0.322 120.456 120.200 -0.110 0.000 2.447 991 E HA 0.063 4.413 4.350 -0.000 0.000 0.195 991 E C -0.085 176.409 176.600 -0.176 0.000 1.028 991 E CA 0.099 56.423 56.400 -0.127 0.000 0.876 991 E CB 0.306 29.922 29.700 -0.139 0.000 0.885 991 E HN 0.188 nan 8.360 nan 0.000 0.500 992 N N 0.134 118.678 118.700 -0.261 0.000 2.284 992 N HA 0.112 4.852 4.740 -0.000 0.000 0.300 992 N C -0.531 174.906 175.510 -0.120 0.000 1.047 992 N CA -0.258 52.648 53.050 -0.240 0.000 0.821 992 N CB 2.146 40.286 38.487 -0.578 0.000 1.337 992 N HN -0.024 nan 8.380 nan 0.000 0.482 993 C N 1.285 120.536 119.300 -0.082 0.000 2.535 993 C HA 0.252 4.712 4.460 -0.000 0.000 0.310 993 C C 0.810 175.513 174.990 -0.478 0.000 1.344 993 C CA -0.239 58.590 59.018 -0.315 0.000 1.831 993 C CB -0.560 26.956 27.740 -0.374 0.000 2.284 993 C HN 0.868 nan 8.230 nan 0.000 0.523 994 W N 1.853 123.219 121.300 0.110 0.000 3.102 994 W HA 0.455 5.115 4.660 -0.000 0.000 0.401 994 W C 0.336 176.953 176.519 0.163 0.000 1.070 994 W CA -0.274 57.152 57.345 0.135 0.000 1.921 994 W CB 0.057 29.558 29.460 0.070 0.000 1.118 994 W HN 0.050 nan 8.180 nan 0.000 0.647 995 K N 1.305 121.885 120.400 0.300 0.000 2.553 995 K HA 0.338 4.658 4.320 -0.000 0.000 0.250 995 K C -0.434 176.418 176.600 0.420 0.000 0.953 995 K CA -0.824 55.678 56.287 0.360 0.000 0.800 995 K CB 2.124 34.882 32.500 0.430 0.000 1.243 995 K HN -0.395 nan 8.250 nan 0.000 0.435 996 K N 2.312 122.911 120.400 0.330 0.000 2.385 996 K HA 0.521 4.841 4.320 -0.000 0.000 0.248 996 K C -0.554 176.117 176.600 0.118 0.000 0.955 996 K CA -0.824 55.626 56.287 0.271 0.000 0.816 996 K CB 2.297 34.878 32.500 0.134 0.000 1.250 996 K HN 0.517 nan 8.250 nan 0.000 0.434 997 R N -0.292 120.233 120.500 0.040 0.000 2.732 997 R HA 0.718 5.058 4.340 -0.000 0.000 0.278 997 R C -0.061 176.220 176.300 -0.032 0.000 0.976 997 R CA -0.948 55.087 56.100 -0.109 0.000 0.963 997 R CB 1.965 32.080 30.300 -0.308 0.000 1.150 997 R HN 0.762 nan 8.270 nan 0.000 0.478 998 G N 1.070 109.848 108.800 -0.037 0.000 2.612 998 G HA2 0.580 4.540 3.960 -0.000 0.000 0.298 998 G HA3 0.580 4.540 3.960 -0.000 0.000 0.298 998 G C -2.064 172.836 174.900 -0.001 0.000 1.336 998 G CA -0.423 44.674 45.100 -0.007 0.000 0.953 998 G HN 0.339 nan 8.290 nan 0.000 0.482 999 L N 0.846 122.084 121.223 0.025 0.000 2.436 999 L HA 0.863 5.203 4.340 -0.000 0.000 0.268 999 L C -1.060 175.895 176.870 0.141 0.000 0.974 999 L CA -0.725 54.152 54.840 0.061 0.000 0.826 999 L CB 1.883 43.941 42.059 -0.001 0.000 1.291 999 L HN 0.775 nan 8.230 nan 0.000 0.406 1000 C N 5.910 125.304 119.300 0.156 0.000 2.931 1000 C HA 0.580 5.040 4.460 -0.000 0.000 0.370 1000 C C -1.034 173.969 174.990 0.023 0.000 1.071 1000 C CA -0.863 58.231 59.018 0.127 0.000 1.266 1000 C CB 0.674 28.486 27.740 0.121 0.000 1.691 1000 C HN 0.919 nan 8.230 nan 0.000 0.511 1001 I N 7.255 127.741 120.570 -0.139 0.000 2.339 1001 I HA 0.642 4.812 4.170 -0.000 0.000 0.290 1001 I C -1.112 174.956 176.117 -0.082 0.000 0.994 1001 I CA -0.427 60.694 61.300 -0.299 0.000 1.191 1001 I CB 0.616 38.104 38.000 -0.854 0.000 1.343 1001 I HN 0.524 nan 8.210 nan 0.000 0.458 1002 I N 9.606 130.187 120.570 0.019 0.000 2.545 1002 I HA 0.552 4.722 4.170 -0.000 0.000 0.292 1002 I C -2.512 173.764 176.117 0.266 0.000 1.040 1002 I CA -2.216 59.180 61.300 0.159 0.000 1.068 1002 I CB 1.960 39.980 38.000 0.033 0.000 1.251 1002 I HN 0.393 nan 8.210 nan 0.000 0.424 1003 P HA 0.488 nan 4.420 nan 0.000 0.287 1003 P C -0.834 176.646 177.300 0.301 0.000 1.290 1003 P CA -0.446 62.854 63.100 0.333 0.000 0.889 1003 P CB 2.980 34.836 31.700 0.260 0.000 1.190 1004 T N -0.644 114.090 114.554 0.301 0.000 2.889 1004 T HA 0.463 4.813 4.350 -0.000 0.000 0.315 1004 T C -1.783 173.116 174.700 0.332 0.000 1.291 1004 T CA -0.648 61.665 62.100 0.355 0.000 1.028 1004 T CB 1.208 70.371 68.868 0.491 0.000 1.235 1004 T HN 0.511 nan 8.240 nan 0.000 0.491 1005 K N 3.097 123.687 120.400 0.317 0.000 2.565 1005 K HA 0.570 4.890 4.320 -0.000 0.000 0.249 1005 K C -2.077 174.744 176.600 0.368 0.000 0.958 1005 K CA -0.677 55.792 56.287 0.305 0.000 0.806 1005 K CB 1.329 34.032 32.500 0.338 0.000 1.194 1005 K HN 0.505 nan 8.250 nan 0.000 0.434 1006 F N 2.494 122.491 119.950 0.079 0.000 2.460 1006 F HA 0.442 4.969 4.527 -0.000 0.000 0.341 1006 F C 0.281 175.926 175.800 -0.259 0.000 1.130 1006 F CA -0.394 57.618 58.000 0.021 0.000 0.962 1006 F CB 1.692 40.634 39.000 -0.097 0.000 1.171 1006 F HN 0.670 nan 8.300 nan 0.000 0.436 1007 G N 6.884 115.136 108.800 -0.914 0.000 2.343 1007 G HA2 0.339 4.299 3.960 -0.000 0.000 0.254 1007 G HA3 0.339 4.299 3.960 -0.000 0.000 0.254 1007 G C -0.514 173.458 174.900 -1.546 0.000 1.277 1007 G CA -0.403 43.285 45.100 -2.353 0.000 0.909 1007 G HN 0.501 nan 8.290 nan 0.000 0.502 1008 I N 1.806 121.733 120.570 -1.070 0.000 2.312 1008 I HA 0.498 4.668 4.170 -0.000 0.000 0.290 1008 I C 0.296 176.192 176.117 -0.367 0.000 1.008 1008 I CA -0.001 60.922 61.300 -0.629 0.000 1.226 1008 I CB 0.153 37.632 38.000 -0.868 0.000 1.371 1008 I HN 0.457 nan 8.210 nan 0.000 0.468 1009 S N 4.546 120.110 115.700 -0.227 0.000 2.802 1009 S HA 0.153 4.623 4.470 -0.000 0.000 0.272 1009 S C -0.764 173.744 174.600 -0.153 0.000 0.788 1009 S CA -0.903 57.204 58.200 -0.155 0.000 1.016 1009 S CB 0.140 63.307 63.200 -0.057 0.000 1.278 1009 S HN 0.293 nan 8.310 nan 0.000 0.494 1010 F N 2.434 122.298 119.950 -0.144 0.000 2.529 1010 F HA 0.167 4.694 4.527 -0.000 0.000 0.365 1010 F C 2.334 178.023 175.800 -0.185 0.000 1.102 1010 F CA 0.878 58.765 58.000 -0.189 0.000 1.271 1010 F CB 0.732 39.594 39.000 -0.229 0.000 1.120 1010 F HN 0.806 nan 8.300 nan 0.000 0.579 1011 T N -0.859 113.725 114.554 0.049 0.000 2.962 1011 T HA -0.037 4.313 4.350 -0.000 0.000 0.270 1011 T C 0.582 175.268 174.700 -0.024 0.000 1.088 1011 T CA 0.495 62.589 62.100 -0.010 0.000 1.127 1011 T CB -0.479 68.487 68.868 0.164 0.000 0.883 1011 T HN 0.175 nan 8.240 nan 0.000 0.493 1012 V N 4.076 123.948 119.914 -0.070 0.000 2.353 1012 V HA 0.224 4.344 4.120 -0.000 0.000 0.264 1012 V C -1.233 174.638 176.094 -0.372 0.000 1.049 1012 V CA -1.685 60.453 62.300 -0.270 0.000 0.896 1012 V CB 1.127 32.664 31.823 -0.477 0.000 1.025 1012 V HN 0.203 nan 8.190 nan 0.000 0.475 1013 P HA -0.233 nan 4.420 nan 0.000 0.216 1013 P C 1.573 178.771 177.300 -0.170 0.000 1.167 1013 P CA 1.687 64.698 63.100 -0.148 0.000 0.914 1013 P CB -0.069 31.613 31.700 -0.029 0.000 0.793 1014 F N -1.616 118.304 119.950 -0.050 0.000 2.583 1014 F HA -0.024 4.503 4.527 -0.000 0.000 0.297 1014 F C 1.545 177.271 175.800 -0.123 0.000 1.131 1014 F CA 0.778 58.739 58.000 -0.065 0.000 1.467 1014 F CB -1.710 37.261 39.000 -0.048 0.000 1.097 1014 F HN -0.143 nan 8.300 nan 0.000 0.586 1015 L N 0.482 121.362 121.223 -0.571 0.000 2.492 1015 L HA 0.015 4.355 4.340 -0.000 0.000 0.223 1015 L C 0.694 177.318 176.870 -0.411 0.000 1.132 1015 L CA 0.280 54.738 54.840 -0.637 0.000 0.850 1015 L CB -0.633 40.669 42.059 -1.260 0.000 0.966 1015 L HN 0.124 nan 8.230 nan 0.000 0.454 1016 N N 2.685 121.311 118.700 -0.123 0.000 3.178 1016 N HA 0.057 4.797 4.740 -0.000 0.000 0.300 1016 N C -0.434 175.018 175.510 -0.097 0.000 1.242 1016 N CA 0.206 53.277 53.050 0.036 0.000 1.192 1016 N CB 0.249 38.745 38.487 0.015 0.000 1.463 1016 N HN 0.518 nan 8.380 nan 0.000 0.539 1017 Q N -0.918 118.824 119.800 -0.097 0.000 2.418 1017 Q HA 0.824 5.164 4.340 -0.000 0.000 0.282 1017 Q C -1.889 174.012 176.000 -0.165 0.000 1.044 1017 Q CA -1.264 54.393 55.803 -0.243 0.000 0.813 1017 Q CB 2.034 30.724 28.738 -0.080 0.000 1.428 1017 Q HN 0.086 nan 8.270 nan 0.000 0.402 1018 A N 0.521 123.146 122.820 -0.324 0.000 2.594 1018 A HA 0.927 5.247 4.320 -0.000 0.000 0.295 1018 A C -0.882 176.667 177.584 -0.057 0.000 1.071 1018 A CA -0.143 51.841 52.037 -0.088 0.000 0.685 1018 A CB 1.910 20.907 19.000 -0.005 0.000 1.285 1018 A HN 0.958 nan 8.150 nan 0.000 0.405 1019 G N -0.788 108.089 108.800 0.128 0.000 2.600 1019 G HA2 0.938 4.898 3.960 -0.000 0.000 0.303 1019 G HA3 0.938 4.898 3.960 -0.000 0.000 0.303 1019 G C -0.586 174.409 174.900 0.158 0.000 1.253 1019 G CA -0.180 45.047 45.100 0.212 0.000 0.974 1019 G HN 2.107 nan 8.290 nan 0.000 0.483 1020 A N -0.583 122.321 122.820 0.139 0.000 2.594 1020 A HA 0.654 4.974 4.320 -0.000 0.000 0.296 1020 A C -2.029 175.580 177.584 0.042 0.000 1.061 1020 A CA -0.483 51.617 52.037 0.105 0.000 0.689 1020 A CB 1.900 20.964 19.000 0.106 0.000 1.280 1020 A HN 1.491 nan 8.150 nan 0.000 0.406 1021 L N 1.880 123.093 121.223 -0.018 0.000 2.376 1021 L HA 0.824 5.164 4.340 -0.000 0.000 0.275 1021 L C -1.409 175.322 176.870 -0.232 0.000 0.987 1021 L CA -0.496 54.269 54.840 -0.126 0.000 0.828 1021 L CB 1.432 43.407 42.059 -0.140 0.000 1.249 1021 L HN 0.774 nan 8.230 nan 0.000 0.409 1022 L N 5.031 126.097 121.223 -0.263 0.000 2.376 1022 L HA 0.618 4.958 4.340 -0.000 0.000 0.275 1022 L C -1.286 175.415 176.870 -0.282 0.000 0.987 1022 L CA -0.425 54.279 54.840 -0.226 0.000 0.828 1022 L CB 0.947 42.969 42.059 -0.062 0.000 1.249 1022 L HN 0.624 nan 8.230 nan 0.000 0.409 1023 H N 4.213 123.243 119.070 -0.068 0.000 2.492 1023 H HA 0.494 5.050 4.556 -0.000 0.000 0.345 1023 H C -0.916 174.262 175.328 -0.251 0.000 1.136 1023 H CA -0.630 55.286 56.048 -0.219 0.000 1.202 1023 H CB 2.387 31.905 29.762 -0.406 0.000 1.524 1023 H HN 0.321 nan 8.280 nan 0.000 0.506 1024 V N 4.701 124.541 119.914 -0.124 0.000 2.350 1024 V HA 0.142 4.262 4.120 -0.000 0.000 0.285 1024 V C -0.539 175.439 176.094 -0.193 0.000 1.014 1024 V CA -0.794 61.480 62.300 -0.044 0.000 0.831 1024 V CB 0.140 32.005 31.823 0.070 0.000 1.000 1024 V HN 0.548 nan 8.190 nan 0.000 0.433 1025 Y N 2.114 122.463 120.300 0.083 0.000 2.300 1025 Y HA 0.202 4.752 4.550 -0.000 0.000 0.328 1025 Y C 2.122 177.986 175.900 -0.061 0.000 1.270 1025 Y CA 0.116 58.211 58.100 -0.010 0.000 1.352 1025 Y CB 0.875 39.332 38.460 -0.005 0.000 1.286 1025 Y HN 0.755 nan 8.280 nan 0.000 0.536 1026 T N -3.092 111.471 114.554 0.015 0.000 3.139 1026 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 1026 T C 0.648 175.320 174.700 -0.047 0.000 1.164 1026 T CA 1.226 63.255 62.100 -0.119 0.000 1.075 1026 T CB -0.378 68.288 68.868 -0.337 0.000 0.904 1026 T HN 0.731 nan 8.240 nan 0.000 0.540 1027 D N -0.288 120.132 120.400 0.033 0.000 2.363 1027 D HA 0.248 4.888 4.640 -0.000 0.000 0.214 1027 D C 1.642 178.005 176.300 0.104 0.000 1.093 1027 D CA 0.416 54.439 54.000 0.038 0.000 0.837 1027 D CB -0.381 40.433 40.800 0.023 0.000 0.948 1027 D HN 0.501 nan 8.370 nan 0.000 0.507 1028 G N 0.883 109.770 108.800 0.145 0.000 2.299 1028 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.237 1028 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.237 1028 G C 0.516 175.682 174.900 0.444 0.000 1.027 1028 G CA 0.441 45.730 45.100 0.314 0.000 0.619 1028 G HN 0.872 nan 8.290 nan 0.000 0.513 1029 S N -0.231 115.648 115.700 0.299 0.000 2.563 1029 S HA 0.512 4.982 4.470 -0.000 0.000 0.284 1029 S C 0.131 174.936 174.600 0.341 0.000 1.331 1029 S CA 0.208 58.573 58.200 0.275 0.000 1.047 1029 S CB 2.126 65.446 63.200 0.200 0.000 0.859 1029 S HN 1.196 nan 8.310 nan 0.000 0.514 1030 V N 3.196 123.273 119.914 0.273 0.000 2.495 1030 V HA 0.497 4.617 4.120 -0.000 0.000 0.298 1030 V C -0.460 175.781 176.094 0.245 0.000 1.031 1030 V CA -0.843 61.599 62.300 0.236 0.000 0.871 1030 V CB 1.384 33.309 31.823 0.169 0.000 0.988 1030 V HN 0.874 nan 8.190 nan 0.000 0.432 1031 L N 6.273 127.644 121.223 0.248 0.000 2.287 1031 L HA 0.638 4.978 4.340 -0.000 0.000 0.287 1031 L C -0.915 176.024 176.870 0.114 0.000 1.022 1031 L CA 0.017 55.017 54.840 0.267 0.000 0.814 1031 L CB 1.219 43.544 42.059 0.444 0.000 1.217 1031 L HN 0.590 nan 8.230 nan 0.000 0.420 1032 L N 5.125 126.381 121.223 0.056 0.000 2.385 1032 L HA 0.742 5.082 4.340 -0.000 0.000 0.273 1032 L C -1.169 175.678 176.870 -0.038 0.000 0.990 1032 L CA -0.100 54.739 54.840 -0.003 0.000 0.821 1032 L CB 2.190 44.262 42.059 0.023 0.000 1.279 1032 L HN 0.815 nan 8.230 nan 0.000 0.412 1033 T N 0.772 115.302 114.554 -0.039 0.000 2.906 1033 T HA 0.772 5.122 4.350 -0.000 0.000 0.295 1033 T C -0.863 173.849 174.700 0.021 0.000 1.061 1033 T CA -0.674 61.377 62.100 -0.082 0.000 1.000 1033 T CB 2.004 70.819 68.868 -0.088 0.000 1.103 1033 T HN 0.866 nan 8.240 nan 0.000 0.486 1034 H N -2.052 117.027 119.070 0.015 0.000 2.960 1034 H HA 0.701 5.257 4.556 -0.000 0.000 0.323 1034 H C 1.128 176.487 175.328 0.053 0.000 1.326 1034 H CA -0.777 55.294 56.048 0.037 0.000 1.124 1034 H CB 0.683 30.472 29.762 0.045 0.000 1.853 1034 H HN 0.698 nan 8.280 nan 0.000 0.536 1035 G N -0.191 108.721 108.800 0.186 0.000 2.471 1035 G HA2 0.086 4.046 3.960 -0.000 0.000 0.219 1035 G HA3 0.086 4.046 3.960 -0.000 0.000 0.219 1035 G C 0.799 175.768 174.900 0.116 0.000 1.125 1035 G CA 0.210 45.374 45.100 0.108 0.000 0.775 1035 G HN 0.885 nan 8.290 nan 0.000 0.548 1036 G N 0.261 109.263 108.800 0.336 0.000 2.441 1036 G HA2 0.414 4.374 3.960 -0.000 0.000 0.243 1036 G HA3 0.414 4.374 3.960 -0.000 0.000 0.243 1036 G C 0.200 175.129 174.900 0.049 0.000 1.281 1036 G CA 0.495 45.730 45.100 0.225 0.000 0.854 1036 G HN 0.419 nan 8.290 nan 0.000 0.560 1037 T N -0.766 113.774 114.554 -0.024 0.000 2.859 1037 T HA 0.514 4.864 4.350 -0.000 0.000 0.281 1037 T C -0.247 174.347 174.700 -0.177 0.000 1.005 1037 T CA -0.842 61.211 62.100 -0.078 0.000 1.025 1037 T CB 2.225 71.058 68.868 -0.058 0.000 0.977 1037 T HN 0.477 nan 8.240 nan 0.000 0.458 1038 E N 2.881 122.944 120.200 -0.229 0.000 2.259 1038 E HA 0.356 4.706 4.350 -0.000 0.000 0.281 1038 E C 0.398 176.942 176.600 -0.093 0.000 1.037 1038 E CA -0.543 55.716 56.400 -0.235 0.000 0.854 1038 E CB 0.576 30.169 29.700 -0.178 0.000 1.051 1038 E HN 0.789 nan 8.360 nan 0.000 0.409 1039 M N 2.506 122.049 119.600 -0.096 0.000 2.511 1039 M HA 0.470 4.950 4.480 -0.000 0.000 0.387 1039 M C 0.772 177.015 176.300 -0.094 0.000 1.112 1039 M CA 0.098 55.326 55.300 -0.119 0.000 0.921 1039 M CB 0.722 33.187 32.600 -0.225 0.000 1.501 1039 M HN 0.588 nan 8.290 nan 0.000 0.538 1040 G N 1.763 110.570 108.800 0.013 0.000 2.201 1040 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.212 1040 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.212 1040 G C 0.771 175.723 174.900 0.087 0.000 0.994 1040 G CA 0.381 45.506 45.100 0.042 0.000 0.644 1040 G HN 0.639 nan 8.290 nan 0.000 0.508 1041 Q N 1.495 121.314 119.800 0.033 0.000 2.482 1041 Q HA 0.317 4.657 4.340 -0.000 0.000 0.209 1041 Q C 1.601 177.625 176.000 0.040 0.000 0.961 1041 Q CA 1.240 57.056 55.803 0.021 0.000 0.945 1041 Q CB -0.393 28.321 28.738 -0.040 0.000 1.012 1041 Q HN 1.905 nan 8.270 nan 0.000 0.515 1042 G N 1.963 110.819 108.800 0.094 0.000 2.198 1042 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.260 1042 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.260 1042 G C 0.439 175.247 174.900 -0.153 0.000 1.025 1042 G CA 0.471 45.504 45.100 -0.111 0.000 0.769 1042 G HN 0.430 nan 8.290 nan 0.000 0.507 1043 L N 0.139 121.271 121.223 -0.152 0.000 2.013 1043 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 1043 L C 2.590 179.400 176.870 -0.099 0.000 1.073 1043 L CA 3.031 57.779 54.840 -0.154 0.000 0.753 1043 L CB -0.520 41.425 42.059 -0.190 0.000 0.890 1043 L HN 0.443 nan 8.230 nan 0.000 0.432 1044 H N -0.919 118.131 119.070 -0.033 0.000 2.353 1044 H HA -0.090 4.466 4.556 -0.000 0.000 0.300 1044 H C 2.163 177.433 175.328 -0.095 0.000 1.090 1044 H CA 1.820 57.859 56.048 -0.013 0.000 1.327 1044 H CB -0.954 28.777 29.762 -0.053 0.000 1.383 1044 H HN 0.383 nan 8.280 nan 0.000 0.508 1045 T N 1.399 115.917 114.554 -0.061 0.000 2.635 1045 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 1045 T C 2.051 176.724 174.700 -0.046 0.000 1.040 1045 T CA 1.610 63.655 62.100 -0.091 0.000 1.156 1045 T CB -0.038 68.726 68.868 -0.173 0.000 0.863 1045 T HN 0.363 nan 8.240 nan 0.000 0.430 1046 K N 0.348 120.714 120.400 -0.056 0.000 2.063 1046 K HA -0.049 4.271 4.320 -0.000 0.000 0.208 1046 K C 2.434 179.017 176.600 -0.028 0.000 1.048 1046 K CA 1.223 57.485 56.287 -0.043 0.000 0.928 1046 K CB -0.194 32.271 32.500 -0.058 0.000 0.713 1046 K HN 0.238 nan 8.250 nan 0.000 0.442 1047 M N 0.408 119.985 119.600 -0.038 0.000 2.117 1047 M HA -0.125 4.355 4.480 -0.000 0.000 0.262 1047 M C 2.306 178.610 176.300 0.006 0.000 1.065 1047 M CA 1.311 56.583 55.300 -0.046 0.000 1.114 1047 M CB -0.758 31.783 32.600 -0.098 0.000 1.361 1047 M HN -0.049 nan 8.290 nan 0.000 0.408 1048 V N 0.237 120.159 119.914 0.014 0.000 2.427 1048 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 1048 V C 2.401 178.499 176.094 0.006 0.000 1.051 1048 V CA 1.542 63.846 62.300 0.008 0.000 1.048 1048 V CB -0.680 31.141 31.823 -0.003 0.000 0.666 1048 V HN 0.514 nan 8.190 nan 0.000 0.456 1049 Q N -0.694 119.108 119.800 0.003 0.000 2.016 1049 Q HA -0.165 4.175 4.340 -0.000 0.000 0.200 1049 Q C 2.388 178.402 176.000 0.024 0.000 0.978 1049 Q CA 1.923 57.725 55.803 -0.001 0.000 0.833 1049 Q CB -0.366 28.366 28.738 -0.011 0.000 0.895 1049 Q HN 0.499 nan 8.270 nan 0.000 0.427 1050 V N 1.074 121.030 119.914 0.070 0.000 2.252 1050 V HA -0.351 3.769 4.120 -0.000 0.000 0.249 1050 V C 2.257 178.465 176.094 0.189 0.000 1.056 1050 V CA 2.083 64.499 62.300 0.194 0.000 1.022 1050 V CB -1.029 30.888 31.823 0.158 0.000 0.641 1050 V HN 0.473 nan 8.190 nan 0.000 0.445 1051 A N -0.968 121.911 122.820 0.099 0.000 1.933 1051 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 1051 A C 2.549 180.149 177.584 0.027 0.000 1.175 1051 A CA 2.182 54.261 52.037 0.069 0.000 0.628 1051 A CB -0.773 18.249 19.000 0.036 0.000 0.814 1051 A HN 0.520 nan 8.150 nan 0.000 0.444 1052 S N -0.490 115.211 115.700 0.001 0.000 2.382 1052 S HA -0.226 4.244 4.470 -0.000 0.000 0.228 1052 S C 2.200 176.775 174.600 -0.041 0.000 1.027 1052 S CA 1.758 59.930 58.200 -0.046 0.000 0.991 1052 S CB -0.331 62.843 63.200 -0.043 0.000 0.823 1052 S HN 0.664 nan 8.310 nan 0.000 0.469 1053 R N 0.479 120.972 120.500 -0.011 0.000 2.090 1053 R HA 0.177 4.517 4.340 -0.000 0.000 0.228 1053 R C 2.308 178.643 176.300 0.058 0.000 1.110 1053 R CA 1.319 57.400 56.100 -0.033 0.000 0.973 1053 R CB -0.730 29.467 30.300 -0.171 0.000 0.869 1053 R HN 0.396 nan 8.270 nan 0.000 0.440 1054 A N 0.771 123.683 122.820 0.155 0.000 1.898 1054 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 1054 A C 2.040 179.664 177.584 0.066 0.000 1.181 1054 A CA 1.207 53.353 52.037 0.180 0.000 0.620 1054 A CB -0.375 18.733 19.000 0.179 0.000 0.819 1054 A HN 0.369 nan 8.150 nan 0.000 0.442 1055 L N -2.026 119.202 121.223 0.008 0.000 2.446 1055 L HA 0.107 4.447 4.340 -0.000 0.000 0.219 1055 L C 0.133 176.970 176.870 -0.056 0.000 1.116 1055 L CA 0.206 55.026 54.840 -0.032 0.000 0.844 1055 L CB -0.150 41.800 42.059 -0.180 0.000 0.970 1055 L HN 0.287 nan 8.230 nan 0.000 0.457 1056 K N 1.697 122.065 120.400 -0.053 0.000 3.372 1056 K HA -0.152 4.168 4.320 -0.000 0.000 0.272 1056 K C -0.710 175.819 176.600 -0.118 0.000 1.037 1056 K CA 0.494 56.760 56.287 -0.034 0.000 0.777 1056 K CB -1.636 30.898 32.500 0.057 0.000 1.347 1056 K HN 0.503 nan 8.250 nan 0.000 0.460 1057 I N -4.397 116.041 120.570 -0.219 0.000 2.827 1057 I HA 0.556 4.726 4.170 -0.000 0.000 0.298 1057 I C -2.832 173.164 176.117 -0.202 0.000 1.235 1057 I CA -3.168 57.942 61.300 -0.316 0.000 1.021 1057 I CB 2.393 39.961 38.000 -0.720 0.000 1.259 1057 I HN -0.257 nan 8.210 nan 0.000 0.427 1058 P HA 0.075 nan 4.420 nan 0.000 0.267 1058 P C 0.930 178.185 177.300 -0.076 0.000 1.200 1058 P CA -0.009 63.040 63.100 -0.086 0.000 0.772 1058 P CB 0.609 32.273 31.700 -0.060 0.000 0.855 1059 T N -1.864 112.666 114.554 -0.040 0.000 2.977 1059 T HA -0.163 4.187 4.350 -0.000 0.000 0.271 1059 T C 1.649 176.355 174.700 0.009 0.000 1.105 1059 T CA 1.371 63.462 62.100 -0.016 0.000 1.116 1059 T CB -1.027 67.841 68.868 0.000 0.000 0.878 1059 T HN 0.445 nan 8.240 nan 0.000 0.509 1060 S N 1.534 117.236 115.700 0.004 0.000 2.474 1060 S HA -0.003 4.467 4.470 -0.000 0.000 0.235 1060 S C 1.789 176.404 174.600 0.025 0.000 0.997 1060 S CA 0.409 58.622 58.200 0.022 0.000 0.949 1060 S CB -0.419 62.786 63.200 0.010 0.000 0.766 1060 S HN 0.619 nan 8.310 nan 0.000 0.517 1061 K N 0.262 120.662 120.400 -0.002 0.000 2.404 1061 K HA 0.376 4.696 4.320 -0.000 0.000 0.194 1061 K C -0.154 176.476 176.600 0.050 0.000 1.023 1061 K CA 0.141 56.434 56.287 0.010 0.000 1.094 1061 K CB 0.203 32.666 32.500 -0.062 0.000 0.841 1061 K HN 0.458 nan 8.250 nan 0.000 0.523 1062 I N 0.644 121.247 120.570 0.055 0.000 2.404 1062 I HA 0.241 4.411 4.170 -0.000 0.000 0.293 1062 I C -1.094 175.127 176.117 0.173 0.000 0.992 1062 I CA -1.190 60.164 61.300 0.090 0.000 1.149 1062 I CB 1.200 39.216 38.000 0.028 0.000 1.315 1062 I HN -0.111 nan 8.210 nan 0.000 0.446 1063 Y N 6.608 126.926 120.300 0.031 0.000 2.442 1063 Y HA 0.626 5.176 4.550 -0.000 0.000 0.344 1063 Y C -1.134 174.763 175.900 -0.005 0.000 0.976 1063 Y CA -0.857 57.252 58.100 0.015 0.000 1.040 1063 Y CB 1.688 40.164 38.460 0.027 0.000 1.228 1063 Y HN 0.359 nan 8.280 nan 0.000 0.451 1064 I N 4.543 124.700 120.570 -0.688 0.000 2.389 1064 I HA 0.230 4.400 4.170 -0.000 0.000 0.288 1064 I C 0.335 175.930 176.117 -0.870 0.000 0.999 1064 I CA -0.209 60.731 61.300 -0.599 0.000 1.129 1064 I CB 2.135 39.792 38.000 -0.571 0.000 1.288 1064 I HN 0.741 nan 8.210 nan 0.000 0.444 1065 S N 5.215 120.630 115.700 -0.475 0.000 2.452 1065 S HA 0.184 4.654 4.470 -0.000 0.000 0.225 1065 S C 0.295 174.780 174.600 -0.193 0.000 1.057 1065 S CA 0.423 58.466 58.200 -0.262 0.000 0.949 1065 S CB 0.328 63.554 63.200 0.043 0.000 0.836 1065 S HN 0.804 nan 8.310 nan 0.000 0.518 1066 E N -0.910 119.184 120.200 -0.177 0.000 2.439 1066 E HA 0.395 4.745 4.350 -0.000 0.000 0.279 1066 E C -1.670 174.864 176.600 -0.111 0.000 1.077 1066 E CA -0.978 55.364 56.400 -0.097 0.000 0.849 1066 E CB 0.813 30.511 29.700 -0.004 0.000 1.408 1066 E HN -0.008 nan 8.360 nan 0.000 0.457 1067 T N 0.889 115.412 114.554 -0.051 0.000 2.794 1067 T HA 0.569 4.919 4.350 -0.000 0.000 0.280 1067 T C -0.891 173.783 174.700 -0.044 0.000 0.987 1067 T CA -0.595 61.464 62.100 -0.069 0.000 0.993 1067 T CB 1.290 70.132 68.868 -0.044 0.000 0.939 1067 T HN 0.413 nan 8.240 nan 0.000 0.449 1068 S N 0.902 116.575 115.700 -0.045 0.000 2.546 1068 S HA 0.397 4.867 4.470 -0.000 0.000 0.272 1068 S C 1.218 175.799 174.600 -0.030 0.000 1.140 1068 S CA -0.527 57.651 58.200 -0.036 0.000 0.920 1068 S CB 1.304 64.491 63.200 -0.021 0.000 1.083 1068 S HN 0.835 nan 8.310 nan 0.000 0.476 1069 T N 1.142 115.673 114.554 -0.039 0.000 3.051 1069 T HA -0.064 4.286 4.350 -0.000 0.000 0.269 1069 T C 1.049 175.739 174.700 -0.018 0.000 1.127 1069 T CA 1.286 63.368 62.100 -0.029 0.000 1.107 1069 T CB -0.574 68.270 68.868 -0.040 0.000 0.898 1069 T HN 0.643 nan 8.240 nan 0.000 0.517 1070 N N 1.152 119.843 118.700 -0.015 0.000 2.230 1070 N HA 0.038 4.778 4.740 -0.000 0.000 0.202 1070 N C 1.143 176.664 175.510 0.018 0.000 1.119 1070 N CA 0.603 53.652 53.050 -0.001 0.000 0.851 1070 N CB -0.069 38.416 38.487 -0.004 0.000 0.990 1070 N HN 0.618 nan 8.380 nan 0.000 0.497 1071 T N -3.567 110.997 114.554 0.017 0.000 3.058 1071 T HA 0.293 4.643 4.350 -0.000 0.000 0.247 1071 T C 0.265 174.978 174.700 0.021 0.000 0.987 1071 T CA 0.056 62.175 62.100 0.032 0.000 1.062 1071 T CB 0.052 68.939 68.868 0.031 0.000 1.048 1071 T HN -0.107 nan 8.240 nan 0.000 0.468 1072 V N 4.505 124.429 119.914 0.016 0.000 2.447 1072 V HA 0.540 4.660 4.120 -0.000 0.000 0.292 1072 V C -2.665 173.445 176.094 0.027 0.000 1.021 1072 V CA -1.939 60.379 62.300 0.031 0.000 0.850 1072 V CB 2.039 33.887 31.823 0.043 0.000 1.005 1072 V HN 0.313 nan 8.190 nan 0.000 0.426 1073 P HA 0.388 nan 4.420 nan 0.000 0.283 1073 P C -0.259 177.059 177.300 0.030 0.000 1.278 1073 P CA -0.379 62.731 63.100 0.017 0.000 0.834 1073 P CB 0.815 32.518 31.700 0.004 0.000 1.150 1074 N N -1.814 116.894 118.700 0.013 0.000 2.721 1074 N HA -0.128 4.612 4.740 -0.000 0.000 0.249 1074 N C 0.111 175.644 175.510 0.039 0.000 1.072 1074 N CA 1.282 54.343 53.050 0.018 0.000 0.710 1074 N CB -2.418 36.080 38.487 0.018 0.000 0.993 1074 N HN 0.680 nan 8.380 nan 0.000 0.547 1075 T N -2.861 111.710 114.554 0.028 0.000 2.913 1075 T HA 0.436 4.786 4.350 -0.000 0.000 0.297 1075 T C 0.794 175.489 174.700 -0.008 0.000 1.029 1075 T CA -0.504 61.616 62.100 0.033 0.000 1.104 1075 T CB 1.573 70.462 68.868 0.035 0.000 0.964 1075 T HN 0.118 nan 8.240 nan 0.000 0.532 1076 S N 3.667 119.351 115.700 -0.027 0.000 2.614 1076 S HA 0.410 4.880 4.470 -0.000 0.000 0.265 1076 S C -1.976 172.595 174.600 -0.049 0.000 1.303 1076 S CA -0.971 57.154 58.200 -0.125 0.000 1.000 1076 S CB 0.179 63.214 63.200 -0.276 0.000 0.935 1076 S HN 0.775 nan 8.310 nan 0.000 0.551 1077 P HA 0.107 nan 4.420 nan 0.000 0.272 1077 P C -0.825 176.563 177.300 0.146 0.000 1.223 1077 P CA -0.235 62.883 63.100 0.031 0.000 0.784 1077 P CB 0.136 31.852 31.700 0.026 0.000 0.923 1078 T N 1.831 116.428 114.554 0.072 0.000 3.182 1078 T HA 0.472 4.822 4.350 -0.000 0.000 0.274 1078 T C 0.306 175.023 174.700 0.028 0.000 0.997 1078 T CA 0.307 62.439 62.100 0.053 0.000 1.082 1078 T CB -0.680 68.184 68.868 -0.006 0.000 1.005 1078 T HN 0.594 nan 8.240 nan 0.000 0.688 1079 A N 1.864 124.710 122.820 0.043 0.000 2.593 1079 A HA 0.884 5.204 4.320 -0.000 0.000 0.304 1079 A C 0.637 177.996 177.584 -0.375 0.000 1.233 1079 A CA -0.274 51.713 52.037 -0.084 0.000 0.661 1079 A CB -0.022 18.981 19.000 0.005 0.000 1.338 1079 A HN 1.343 nan 8.150 nan 0.000 0.495 1080 A N -1.171 121.378 122.820 -0.452 0.000 2.790 1080 A HA -0.010 4.310 4.320 -0.000 0.000 0.277 1080 A C 1.275 178.636 177.584 -0.372 0.000 1.435 1080 A CA 1.937 53.634 52.037 -0.567 0.000 0.877 1080 A CB -2.455 15.802 19.000 -1.239 0.000 1.007 1080 A HN 2.433 nan 8.150 nan 0.000 0.613 1081 S N -4.597 110.960 115.700 -0.238 0.000 3.017 1081 S HA -0.376 4.094 4.470 -0.000 0.000 0.283 1081 S C 1.088 175.592 174.600 -0.159 0.000 1.304 1081 S CA 2.212 60.313 58.200 -0.166 0.000 1.224 1081 S CB -2.271 60.844 63.200 -0.141 0.000 1.480 1081 S HN 2.264 nan 8.310 nan 0.000 0.698 1082 V N -1.675 118.100 119.914 -0.233 0.000 3.514 1082 V HA 0.327 4.447 4.120 -0.000 0.000 0.301 1082 V C 1.558 177.604 176.094 -0.079 0.000 1.346 1082 V CA 0.782 62.990 62.300 -0.153 0.000 1.156 1082 V CB 0.298 32.002 31.823 -0.198 0.000 1.029 1082 V HN 0.357 nan 8.190 nan 0.000 0.428 1083 S N 1.746 117.401 115.700 -0.075 0.000 2.399 1083 S HA -0.044 4.426 4.470 -0.000 0.000 0.231 1083 S C 2.166 176.728 174.600 -0.063 0.000 1.022 1083 S CA 1.777 59.958 58.200 -0.031 0.000 0.983 1083 S CB -0.192 62.993 63.200 -0.025 0.000 0.803 1083 S HN 0.887 nan 8.310 nan 0.000 0.480 1084 A N 1.379 124.151 122.820 -0.080 0.000 1.975 1084 A HA -0.005 4.315 4.320 -0.000 0.000 0.215 1084 A C 1.720 179.242 177.584 -0.102 0.000 1.170 1084 A CA 1.079 53.054 52.037 -0.104 0.000 0.656 1084 A CB -0.403 18.546 19.000 -0.084 0.000 0.821 1084 A HN 0.303 nan 8.150 nan 0.000 0.449 1085 D N 0.430 120.791 120.400 -0.065 0.000 2.078 1085 D HA -0.122 4.518 4.640 -0.000 0.000 0.193 1085 D C 1.978 178.209 176.300 -0.115 0.000 0.990 1085 D CA 1.209 55.170 54.000 -0.064 0.000 0.827 1085 D CB -0.323 40.495 40.800 0.031 0.000 0.975 1085 D HN 0.399 nan 8.370 nan 0.000 0.451 1086 L N 0.245 121.454 121.223 -0.024 0.000 1.976 1086 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 1086 L C 2.019 178.876 176.870 -0.021 0.000 1.071 1086 L CA 1.334 56.208 54.840 0.057 0.000 0.746 1086 L CB -0.540 41.578 42.059 0.098 0.000 0.890 1086 L HN 0.005 nan 8.230 nan 0.000 0.432 1087 N N 0.058 118.722 118.700 -0.060 0.000 2.142 1087 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 1087 N C 1.873 177.289 175.510 -0.157 0.000 1.023 1087 N CA 1.194 54.182 53.050 -0.103 0.000 0.852 1087 N CB -0.397 37.973 38.487 -0.194 0.000 0.998 1087 N HN 0.319 nan 8.380 nan 0.000 0.424 1088 G N 0.262 108.950 108.800 -0.187 0.000 2.475 1088 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.220 1088 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.220 1088 G C 1.591 176.383 174.900 -0.180 0.000 1.125 1088 G CA 0.818 45.815 45.100 -0.171 0.000 0.755 1088 G HN 0.244 nan 8.290 nan 0.000 0.565 1089 Q N 0.133 119.769 119.800 -0.274 0.000 2.137 1089 Q HA 0.296 4.636 4.340 -0.000 0.000 0.198 1089 Q C 2.689 178.628 176.000 -0.101 0.000 0.960 1089 Q CA 1.463 57.041 55.803 -0.376 0.000 0.847 1089 Q CB -0.371 27.759 28.738 -1.013 0.000 0.915 1089 Q HN 0.373 nan 8.270 nan 0.000 0.448 1090 A N -0.843 121.954 122.820 -0.037 0.000 1.929 1090 A HA -0.055 4.264 4.320 -0.000 0.000 0.216 1090 A C 2.152 179.768 177.584 0.054 0.000 1.176 1090 A CA 1.278 53.345 52.037 0.050 0.000 0.628 1090 A CB -0.558 18.474 19.000 0.052 0.000 0.816 1090 A HN 0.239 nan 8.150 nan 0.000 0.444 1091 V N -1.226 118.703 119.914 0.026 0.000 2.343 1091 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 1091 V C 2.323 178.447 176.094 0.049 0.000 1.051 1091 V CA 2.059 64.379 62.300 0.034 0.000 1.036 1091 V CB -1.058 30.770 31.823 0.007 0.000 0.654 1091 V HN 0.707 nan 8.190 nan 0.000 0.451 1092 Y N 1.589 121.845 120.300 -0.074 0.000 2.097 1092 Y HA -0.273 4.277 4.550 -0.000 0.000 0.282 1092 Y C 2.423 178.304 175.900 -0.033 0.000 1.152 1092 Y CA 1.758 59.813 58.100 -0.076 0.000 1.136 1092 Y CB -0.733 37.613 38.460 -0.191 0.000 0.975 1092 Y HN 0.142 nan 8.280 nan 0.000 0.498 1093 A N 0.666 123.483 122.820 -0.005 0.000 1.883 1093 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 1093 A C 2.468 180.011 177.584 -0.069 0.000 1.186 1093 A CA 2.392 54.403 52.037 -0.043 0.000 0.624 1093 A CB -1.674 17.383 19.000 0.095 0.000 0.822 1093 A HN 0.668 nan 8.150 nan 0.000 0.444 1094 A N -1.020 121.790 122.820 -0.017 0.000 1.908 1094 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 1094 A C 2.331 179.893 177.584 -0.036 0.000 1.181 1094 A CA 1.838 53.870 52.037 -0.009 0.000 0.627 1094 A CB -1.361 17.644 19.000 0.007 0.000 0.818 1094 A HN 0.634 nan 8.150 nan 0.000 0.445 1095 C N -0.999 118.257 119.300 -0.074 0.000 2.429 1095 C HA -0.104 4.356 4.460 -0.000 0.000 0.277 1095 C C 2.893 177.820 174.990 -0.106 0.000 1.262 1095 C CA 1.129 60.106 59.018 -0.069 0.000 1.733 1095 C CB -1.095 26.590 27.740 -0.091 0.000 2.010 1095 C HN 0.609 nan 8.230 nan 0.000 0.483 1096 Q N 0.383 120.041 119.800 -0.237 0.000 2.096 1096 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 1096 Q C 2.230 178.184 176.000 -0.077 0.000 0.982 1096 Q CA 1.932 57.614 55.803 -0.201 0.000 0.850 1096 Q CB -1.234 27.331 28.738 -0.288 0.000 0.901 1096 Q HN 0.635 nan 8.270 nan 0.000 0.422 1097 T N 1.723 116.246 114.554 -0.051 0.000 2.720 1097 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 1097 T C 1.834 176.539 174.700 0.009 0.000 1.037 1097 T CA 0.858 62.951 62.100 -0.011 0.000 1.144 1097 T CB -0.046 68.823 68.868 0.002 0.000 0.864 1097 T HN 0.108 nan 8.240 nan 0.000 0.444 1098 I N 0.938 121.522 120.570 0.023 0.000 2.163 1098 I HA -0.041 4.129 4.170 -0.000 0.000 0.240 1098 I C 2.378 178.538 176.117 0.071 0.000 1.081 1098 I CA 1.132 62.468 61.300 0.060 0.000 1.353 1098 I CB -1.374 36.695 38.000 0.115 0.000 1.054 1098 I HN 0.268 nan 8.210 nan 0.000 0.407 1099 L N 0.537 121.806 121.223 0.076 0.000 2.043 1099 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 1099 L C 2.597 179.483 176.870 0.026 0.000 1.075 1099 L CA 1.537 56.421 54.840 0.074 0.000 0.752 1099 L CB -0.731 41.356 42.059 0.046 0.000 0.891 1099 L HN 0.178 nan 8.230 nan 0.000 0.432 1100 K N 0.632 121.038 120.400 0.010 0.000 2.074 1100 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 1100 K C 2.130 178.738 176.600 0.014 0.000 1.048 1100 K CA 1.645 57.933 56.287 0.002 0.000 0.926 1100 K CB -0.123 32.377 32.500 -0.001 0.000 0.713 1100 K HN 0.171 nan 8.250 nan 0.000 0.444 1101 R N -0.295 120.225 120.500 0.032 0.000 2.148 1101 R HA 0.056 4.396 4.340 -0.000 0.000 0.223 1101 R C 2.169 178.540 176.300 0.118 0.000 1.088 1101 R CA 1.094 57.231 56.100 0.063 0.000 0.985 1101 R CB -0.168 30.161 30.300 0.048 0.000 0.880 1101 R HN 0.204 nan 8.270 nan 0.000 0.451 1102 L N 0.455 121.720 121.223 0.070 0.000 2.418 1102 L HA -0.039 4.301 4.340 -0.000 0.000 0.218 1102 L C 2.245 179.131 176.870 0.027 0.000 1.125 1102 L CA 0.366 55.257 54.840 0.085 0.000 0.835 1102 L CB -0.236 41.818 42.059 -0.008 0.000 0.953 1102 L HN 0.114 nan 8.230 nan 0.000 0.454 1103 E N 0.895 121.068 120.200 -0.045 0.000 2.068 1103 E HA -0.238 4.112 4.350 -0.000 0.000 0.207 1103 E C -0.257 176.228 176.600 -0.191 0.000 1.032 1103 E CA 1.993 58.312 56.400 -0.135 0.000 0.839 1103 E CB -1.397 28.248 29.700 -0.092 0.000 0.758 1103 E HN 0.324 nan 8.360 nan 0.000 0.457 1104 P HA -0.166 nan 4.420 nan 0.000 0.216 1104 P C 1.062 178.052 177.300 -0.515 0.000 1.154 1104 P CA 1.504 64.364 63.100 -0.400 0.000 0.865 1104 P CB -0.272 31.092 31.700 -0.560 0.000 0.789 1105 Y N -0.746 119.470 120.300 -0.141 0.000 2.457 1105 Y HA 0.016 4.566 4.550 -0.000 0.000 0.292 1105 Y C 2.417 178.165 175.900 -0.253 0.000 1.125 1105 Y CA 0.795 58.832 58.100 -0.105 0.000 1.254 1105 Y CB -0.657 37.790 38.460 -0.021 0.000 1.012 1105 Y HN -0.083 nan 8.280 nan 0.000 0.555 1106 K N 1.080 121.189 120.400 -0.484 0.000 2.155 1106 K HA -0.104 4.216 4.320 -0.000 0.000 0.203 1106 K C 1.579 177.961 176.600 -0.362 0.000 1.052 1106 K CA 0.979 56.676 56.287 -0.983 0.000 0.948 1106 K CB 0.083 31.899 32.500 -1.140 0.000 0.728 1106 K HN 0.231 nan 8.250 nan 0.000 0.448 1107 K N 0.457 120.714 120.400 -0.240 0.000 2.167 1107 K HA -0.061 4.259 4.320 -0.000 0.000 0.203 1107 K C 1.662 178.227 176.600 -0.058 0.000 1.052 1107 K CA 0.942 57.153 56.287 -0.128 0.000 0.956 1107 K CB 0.085 32.506 32.500 -0.131 0.000 0.735 1107 K HN 0.108 nan 8.250 nan 0.000 0.451 1108 K N 0.696 121.062 120.400 -0.056 0.000 2.486 1108 K HA -0.029 4.291 4.320 -0.000 0.000 0.194 1108 K C 0.344 176.993 176.600 0.080 0.000 1.033 1108 K CA 0.421 56.708 56.287 -0.001 0.000 1.004 1108 K CB 0.020 32.509 32.500 -0.018 0.000 0.798 1108 K HN 0.005 nan 8.250 nan 0.000 0.495 1109 N N -0.283 118.505 118.700 0.146 0.000 2.884 1109 N HA 0.126 4.866 4.740 -0.000 0.000 0.211 1109 N C -2.673 173.086 175.510 0.415 0.000 1.442 1109 N CA -1.094 52.108 53.050 0.255 0.000 0.757 1109 N CB 1.003 39.673 38.487 0.305 0.000 1.461 1109 N HN -0.266 nan 8.380 nan 0.000 0.557 1110 P HA -0.032 nan 4.420 nan 0.000 0.218 1110 P C 0.738 178.248 177.300 0.351 0.000 1.149 1110 P CA 1.032 64.312 63.100 0.300 0.000 0.817 1110 P CB 0.347 32.135 31.700 0.146 0.000 0.785 1111 S N -1.038 114.799 115.700 0.228 0.000 2.522 1111 S HA 0.093 4.563 4.470 -0.000 0.000 0.227 1111 S C 1.381 176.039 174.600 0.097 0.000 0.986 1111 S CA 0.472 58.759 58.200 0.145 0.000 0.929 1111 S CB -0.848 62.407 63.200 0.092 0.000 0.769 1111 S HN 0.230 nan 8.310 nan 0.000 0.529 1112 G N 1.910 110.795 108.800 0.142 0.000 2.606 1112 G HA2 0.400 4.360 3.960 -0.000 0.000 0.252 1112 G HA3 0.400 4.360 3.960 -0.000 0.000 0.252 1112 G C 0.122 174.679 174.900 -0.571 0.000 1.206 1112 G CA -0.351 44.675 45.100 -0.124 0.000 0.861 1112 G HN 0.402 nan 8.290 nan 0.000 0.561 1113 S N 0.094 115.405 115.700 -0.649 0.000 2.707 1113 S HA 0.181 4.651 4.470 -0.000 0.000 0.276 1113 S C 1.100 175.058 174.600 -1.069 0.000 1.179 1113 S CA -0.542 57.250 58.200 -0.680 0.000 0.992 1113 S CB 1.064 64.092 63.200 -0.287 0.000 1.030 1113 S HN 0.824 nan 8.310 nan 0.000 0.554 1114 W N 1.255 122.102 121.300 -0.757 0.000 2.342 1114 W HA -0.146 4.514 4.660 -0.000 0.000 0.297 1114 W C 1.017 177.428 176.519 -0.180 0.000 1.213 1114 W CA 2.066 59.202 57.345 -0.348 0.000 1.251 1114 W CB -0.532 28.889 29.460 -0.064 0.000 1.136 1114 W HN 0.814 nan 8.180 nan 0.000 0.526 1115 E N 0.891 121.026 120.200 -0.108 0.000 2.072 1115 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 1115 E C 1.731 178.211 176.600 -0.199 0.000 0.985 1115 E CA 1.938 58.256 56.400 -0.135 0.000 0.801 1115 E CB -0.706 28.978 29.700 -0.027 0.000 0.750 1115 E HN 0.188 nan 8.360 nan 0.000 0.452 1116 D N -0.340 119.904 120.400 -0.260 0.000 2.104 1116 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 1116 D C 1.687 177.945 176.300 -0.070 0.000 0.994 1116 D CA 0.894 54.782 54.000 -0.187 0.000 0.830 1116 D CB -0.295 40.357 40.800 -0.246 0.000 0.959 1116 D HN 0.298 nan 8.370 nan 0.000 0.452 1117 W N 1.220 122.463 121.300 -0.096 0.000 2.363 1117 W HA -0.057 4.603 4.660 -0.000 0.000 0.296 1117 W C 2.383 178.722 176.519 -0.300 0.000 1.212 1117 W CA 0.018 57.286 57.345 -0.128 0.000 1.260 1117 W CB -1.365 28.033 29.460 -0.102 0.000 1.131 1117 W HN -0.133 nan 8.180 nan 0.000 0.530 1118 V N 0.946 120.720 119.914 -0.233 0.000 2.233 1118 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 1118 V C 2.685 178.669 176.094 -0.182 0.000 1.050 1118 V CA 3.109 65.201 62.300 -0.345 0.000 1.010 1118 V CB -1.562 29.971 31.823 -0.483 0.000 0.637 1118 V HN 0.320 nan 8.190 nan 0.000 0.444 1119 T N -0.776 113.711 114.554 -0.112 0.000 2.915 1119 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 1119 T C 1.775 176.465 174.700 -0.017 0.000 1.071 1119 T CA 1.662 63.751 62.100 -0.018 0.000 1.132 1119 T CB -0.240 68.626 68.868 -0.004 0.000 0.878 1119 T HN 0.462 nan 8.240 nan 0.000 0.479 1120 A N 1.375 124.153 122.820 -0.070 0.000 1.898 1120 A HA 0.401 4.721 4.320 -0.000 0.000 0.216 1120 A C 2.860 180.196 177.584 -0.413 0.000 1.181 1120 A CA 1.732 53.721 52.037 -0.081 0.000 0.620 1120 A CB -1.426 17.638 19.000 0.107 0.000 0.819 1120 A HN 0.775 nan 8.150 nan 0.000 0.442 1121 A N -1.191 121.192 122.820 -0.729 0.000 1.877 1121 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 1121 A C 2.175 179.520 177.584 -0.399 0.000 1.186 1121 A CA 1.764 53.204 52.037 -0.995 0.000 0.620 1121 A CB -0.940 17.655 19.000 -0.676 0.000 0.822 1121 A HN 0.758 nan 8.150 nan 0.000 0.443 1122 Y N -0.026 120.102 120.300 -0.287 0.000 2.114 1122 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 1122 Y C 2.289 178.121 175.900 -0.114 0.000 1.143 1122 Y CA 2.168 60.173 58.100 -0.158 0.000 1.135 1122 Y CB -0.311 38.081 38.460 -0.113 0.000 0.980 1122 Y HN 0.211 nan 8.280 nan 0.000 0.499 1123 M N -0.018 119.462 119.600 -0.199 0.000 2.260 1123 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 1123 M C 0.827 177.008 176.300 -0.199 0.000 1.066 1123 M CA 1.626 56.804 55.300 -0.204 0.000 1.082 1123 M CB -1.095 31.484 32.600 -0.036 0.000 1.388 1123 M HN 0.338 nan 8.290 nan 0.000 0.419 1124 D N 0.618 120.916 120.400 -0.170 0.000 2.587 1124 D HA 0.051 4.691 4.640 -0.000 0.000 0.233 1124 D C -0.259 175.988 176.300 -0.088 0.000 1.213 1124 D CA 0.304 54.270 54.000 -0.057 0.000 0.827 1124 D CB -0.176 40.715 40.800 0.152 0.000 1.006 1124 D HN 0.384 nan 8.370 nan 0.000 0.490 1125 T N -1.919 112.512 114.554 -0.205 0.000 3.287 1125 T HA -0.198 4.152 4.350 -0.000 0.000 0.428 1125 T C -0.099 174.550 174.700 -0.084 0.000 0.770 1125 T CA 0.132 62.128 62.100 -0.174 0.000 2.165 1125 T CB -2.360 66.437 68.868 -0.120 0.000 1.677 1125 T HN -0.022 nan 8.240 nan 0.000 0.633 1126 V N 1.901 121.761 119.914 -0.089 0.000 2.487 1126 V HA 0.628 4.748 4.120 -0.000 0.000 0.298 1126 V C 0.793 176.876 176.094 -0.018 0.000 1.028 1126 V CA -0.556 61.723 62.300 -0.035 0.000 0.860 1126 V CB 1.940 33.737 31.823 -0.042 0.000 0.991 1126 V HN 0.872 nan 8.190 nan 0.000 0.427 1127 S N 4.725 120.428 115.700 0.005 0.000 2.544 1127 S HA 0.185 4.655 4.470 -0.000 0.000 0.290 1127 S C 0.413 175.023 174.600 0.017 0.000 1.276 1127 S CA -0.031 58.181 58.200 0.021 0.000 1.075 1127 S CB -0.073 63.141 63.200 0.024 0.000 0.849 1127 S HN 0.604 nan 8.310 nan 0.000 0.494 1128 L N 4.466 125.704 121.223 0.024 0.000 3.062 1128 L HA 0.323 4.663 4.340 -0.000 0.000 0.255 1128 L C 0.402 177.286 176.870 0.024 0.000 1.274 1128 L CA -0.233 54.610 54.840 0.005 0.000 1.047 1128 L CB 0.280 42.328 42.059 -0.019 0.000 1.402 1128 L HN 0.582 nan 8.230 nan 0.000 0.550 1129 S N 0.459 116.192 115.700 0.055 0.000 2.548 1129 S HA 0.868 5.338 4.470 -0.000 0.000 0.276 1129 S C -0.966 173.665 174.600 0.053 0.000 1.129 1129 S CA -0.263 58.002 58.200 0.107 0.000 0.931 1129 S CB 1.899 65.236 63.200 0.228 0.000 1.068 1129 S HN 0.214 nan 8.310 nan 0.000 0.480 1130 A N 2.526 125.353 122.820 0.011 0.000 2.594 1130 A HA 0.830 5.150 4.320 -0.000 0.000 0.295 1130 A C -0.083 177.493 177.584 -0.014 0.000 1.071 1130 A CA -0.468 51.573 52.037 0.007 0.000 0.685 1130 A CB 1.255 20.263 19.000 0.014 0.000 1.285 1130 A HN 1.155 nan 8.150 nan 0.000 0.405 1131 T N -1.086 113.474 114.554 0.010 0.000 2.897 1131 T HA 0.828 5.178 4.350 -0.000 0.000 0.278 1131 T C 0.250 174.983 174.700 0.056 0.000 0.981 1131 T CA -0.148 61.967 62.100 0.025 0.000 0.973 1131 T CB 1.741 70.632 68.868 0.038 0.000 1.092 1131 T HN 1.990 nan 8.240 nan 0.000 0.543 1132 G N -0.022 108.836 108.800 0.098 0.000 2.731 1132 G HA2 0.592 4.552 3.960 -0.000 0.000 0.298 1132 G HA3 0.592 4.552 3.960 -0.000 0.000 0.298 1132 G C -2.108 172.935 174.900 0.238 0.000 1.424 1132 G CA -0.759 44.421 45.100 0.133 0.000 1.029 1132 G HN 0.749 nan 8.290 nan 0.000 0.518 1133 F N 1.806 121.803 119.950 0.078 0.000 2.613 1133 F HA 0.825 5.352 4.527 -0.000 0.000 0.310 1133 F C -1.756 174.145 175.800 0.168 0.000 1.085 1133 F CA -1.228 56.828 58.000 0.095 0.000 0.945 1133 F CB 2.423 41.452 39.000 0.049 0.000 1.298 1133 F HN 0.610 nan 8.300 nan 0.000 0.455 1134 Y N 4.210 124.003 120.300 -0.845 0.000 2.519 1134 Y HA 0.667 5.217 4.550 -0.000 0.000 0.336 1134 Y C -1.802 173.632 175.900 -0.778 0.000 1.089 1134 Y CA -0.968 56.803 58.100 -0.549 0.000 1.025 1134 Y CB 1.312 39.610 38.460 -0.270 0.000 1.318 1134 Y HN 0.731 nan 8.280 nan 0.000 0.452 1135 R N 1.789 121.428 120.500 -1.435 0.000 2.604 1135 R HA 0.586 4.926 4.340 -0.000 0.000 0.281 1135 R C -1.679 173.960 176.300 -1.101 0.000 1.020 1135 R CA -0.678 54.828 56.100 -0.991 0.000 0.899 1135 R CB 1.036 31.105 30.300 -0.385 0.000 1.205 1135 R HN 0.519 nan 8.270 nan 0.000 0.450 1136 T N 5.358 119.492 114.554 -0.700 0.000 2.916 1136 T HA 0.296 4.646 4.350 -0.000 0.000 0.303 1136 T C -1.998 172.542 174.700 -0.266 0.000 1.025 1136 T CA -0.356 61.468 62.100 -0.460 0.000 1.142 1136 T CB 0.593 69.264 68.868 -0.329 0.000 0.947 1136 T HN 0.575 nan 8.240 nan 0.000 0.544 1137 P HA 0.346 nan 4.420 nan 0.000 0.287 1137 P C -0.616 176.699 177.300 0.024 0.000 1.279 1137 P CA -0.701 62.372 63.100 -0.045 0.000 0.867 1137 P CB 0.687 32.388 31.700 0.002 0.000 1.127 1138 N N -0.523 118.191 118.700 0.024 0.000 2.738 1138 N HA -0.134 4.606 4.740 -0.000 0.000 0.249 1138 N C -0.631 174.898 175.510 0.032 0.000 1.047 1138 N CA 0.855 53.927 53.050 0.038 0.000 0.707 1138 N CB -1.790 36.735 38.487 0.063 0.000 0.937 1138 N HN 0.477 nan 8.380 nan 0.000 0.545 1139 L N -0.654 120.570 121.223 0.002 0.000 2.319 1139 L HA 0.817 5.157 4.340 -0.000 0.000 0.267 1139 L C 0.929 177.785 176.870 -0.024 0.000 1.011 1139 L CA -0.680 54.144 54.840 -0.026 0.000 0.818 1139 L CB 2.076 44.103 42.059 -0.054 0.000 1.316 1139 L HN 0.274 nan 8.230 nan 0.000 0.432 1140 G N 1.243 110.020 108.800 -0.038 0.000 2.372 1140 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.207 1140 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.207 1140 G C -1.648 173.266 174.900 0.024 0.000 1.473 1140 G CA -0.812 44.286 45.100 -0.003 0.000 1.183 1140 G HN 0.428 nan 8.290 nan 0.000 0.607 1141 Y N 2.271 122.502 120.300 -0.115 0.000 2.320 1141 Y HA 0.767 5.317 4.550 -0.000 0.000 0.324 1141 Y C 0.343 176.219 175.900 -0.041 0.000 1.190 1141 Y CA -0.367 57.663 58.100 -0.117 0.000 1.215 1141 Y CB 2.110 40.439 38.460 -0.218 0.000 1.221 1141 Y HN 0.653 nan 8.280 nan 0.000 0.486 1142 S N 5.217 120.387 115.700 -0.884 0.000 2.498 1142 S HA 0.339 4.809 4.470 -0.000 0.000 0.317 1142 S C 0.026 174.076 174.600 -0.916 0.000 1.090 1142 S CA -0.618 57.224 58.200 -0.596 0.000 1.089 1142 S CB 0.070 63.081 63.200 -0.316 0.000 0.997 1142 S HN 0.715 nan 8.310 nan 0.000 0.470 1143 F N 2.424 122.123 119.950 -0.419 0.000 2.558 1143 F HA 0.122 4.649 4.527 -0.000 0.000 0.298 1143 F C 2.222 177.938 175.800 -0.139 0.000 1.119 1143 F CA 0.524 58.405 58.000 -0.198 0.000 1.451 1143 F CB 0.271 39.261 39.000 -0.016 0.000 1.091 1143 F HN 0.570 nan 8.300 nan 0.000 0.563 1144 E N -0.728 119.474 120.200 0.003 0.000 2.112 1144 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 1144 E C 2.121 178.693 176.600 -0.047 0.000 0.979 1144 E CA 1.756 58.154 56.400 -0.002 0.000 0.814 1144 E CB -0.880 28.817 29.700 -0.005 0.000 0.762 1144 E HN 0.394 nan 8.360 nan 0.000 0.460 1145 T N -2.574 111.908 114.554 -0.119 0.000 3.044 1145 T HA 0.107 4.457 4.350 -0.000 0.000 0.260 1145 T C 0.612 175.232 174.700 -0.133 0.000 1.019 1145 T CA 0.173 62.210 62.100 -0.105 0.000 0.921 1145 T CB -0.388 68.422 68.868 -0.096 0.000 1.053 1145 T HN 0.211 nan 8.240 nan 0.000 0.533 1146 N N 1.290 119.840 118.700 -0.250 0.000 2.714 1146 N HA -0.215 4.525 4.740 -0.000 0.000 0.252 1146 N C -0.444 175.035 175.510 -0.051 0.000 1.014 1146 N CA 0.373 53.321 53.050 -0.170 0.000 0.735 1146 N CB -0.927 37.585 38.487 0.040 0.000 0.924 1146 N HN 0.814 nan 8.380 nan 0.000 0.540 1147 S N -0.782 114.792 115.700 -0.211 0.000 2.651 1147 S HA 0.876 5.346 4.470 -0.000 0.000 0.279 1147 S C 0.071 174.655 174.600 -0.026 0.000 1.148 1147 S CA -0.074 58.105 58.200 -0.035 0.000 0.837 1147 S CB 2.221 65.392 63.200 -0.048 0.000 1.138 1147 S HN 1.049 nan 8.310 nan 0.000 0.478 1148 G N 1.352 110.189 108.800 0.061 0.000 2.895 1148 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.686 1148 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.686 1148 G C -1.375 173.605 174.900 0.134 0.000 1.108 1148 G CA -1.071 44.066 45.100 0.063 0.000 0.761 1148 G HN 0.839 nan 8.290 nan 0.000 0.611 1149 N N 3.128 121.860 118.700 0.054 0.000 2.430 1149 N HA 0.370 5.110 4.740 -0.000 0.000 0.265 1149 N C -1.565 173.840 175.510 -0.176 0.000 1.100 1149 N CA -1.281 51.767 53.050 -0.003 0.000 0.961 1149 N CB 1.851 40.355 38.487 0.028 0.000 1.075 1149 N HN 0.203 nan 8.380 nan 0.000 0.478 1150 P HA 0.084 nan 4.420 nan 0.000 0.217 1150 P C -0.370 176.354 177.300 -0.960 0.000 1.154 1150 P CA 0.938 63.452 63.100 -0.977 0.000 0.841 1150 P CB 0.286 30.741 31.700 -2.075 0.000 0.790 1151 F N -2.534 117.174 119.950 -0.402 0.000 2.470 1151 F HA 0.349 4.876 4.527 -0.000 0.000 0.329 1151 F C 1.769 177.432 175.800 -0.228 0.000 1.072 1151 F CA -0.783 56.944 58.000 -0.455 0.000 0.989 1151 F CB 0.046 38.509 39.000 -0.895 0.000 1.193 1151 F HN -0.130 nan 8.300 nan 0.000 0.481 1152 H N 0.680 119.688 119.070 -0.104 0.000 2.512 1152 H HA 0.105 4.661 4.556 -0.000 0.000 0.279 1152 H C -1.052 174.392 175.328 0.194 0.000 0.999 1152 H CA 1.023 57.094 56.048 0.038 0.000 1.283 1152 H CB 0.055 29.873 29.762 0.094 0.000 1.421 1152 H HN 0.526 nan 8.280 nan 0.000 0.554 1153 Y N -4.780 115.461 120.300 -0.097 0.000 2.970 1153 Y HA 0.330 4.880 4.550 -0.000 0.000 0.396 1153 Y C -2.121 173.633 175.900 -0.244 0.000 1.171 1153 Y CA -2.067 55.995 58.100 -0.063 0.000 1.197 1153 Y CB 0.026 38.442 38.460 -0.073 0.000 1.550 1153 Y HN -0.189 nan 8.280 nan 0.000 0.470 1154 F N 0.917 120.871 119.950 0.007 0.000 2.575 1154 F HA 0.767 5.294 4.527 -0.000 0.000 0.330 1154 F C 0.341 175.938 175.800 -0.337 0.000 1.056 1154 F CA -0.936 56.874 58.000 -0.316 0.000 0.964 1154 F CB 2.194 40.922 39.000 -0.455 0.000 1.258 1154 F HN 0.593 nan 8.300 nan 0.000 0.484 1155 S N 0.575 116.144 115.700 -0.218 0.000 2.509 1155 S HA 0.733 5.203 4.470 -0.000 0.000 0.297 1155 S C -1.573 172.816 174.600 -0.352 0.000 1.118 1155 S CA -0.271 57.843 58.200 -0.144 0.000 1.074 1155 S CB 0.374 63.587 63.200 0.021 0.000 1.038 1155 S HN 0.397 nan 8.310 nan 0.000 0.498 1156 Y N 0.926 121.320 120.300 0.156 0.000 2.576 1156 Y HA 0.794 5.344 4.550 -0.000 0.000 0.346 1156 Y C 0.697 176.648 175.900 0.085 0.000 1.018 1156 Y CA -0.584 57.575 58.100 0.099 0.000 1.050 1156 Y CB 2.414 40.866 38.460 -0.014 0.000 1.280 1156 Y HN 0.954 nan 8.280 nan 0.000 0.474 1157 G N -0.024 108.936 108.800 0.267 0.000 2.519 1157 G HA2 0.538 4.498 3.960 -0.000 0.000 0.292 1157 G HA3 0.538 4.498 3.960 -0.000 0.000 0.292 1157 G C -2.477 172.538 174.900 0.193 0.000 1.507 1157 G CA -0.700 44.512 45.100 0.186 0.000 0.806 1157 G HN 0.488 nan 8.290 nan 0.000 0.523 1158 V N -0.162 119.839 119.914 0.145 0.000 2.789 1158 V HA 0.912 5.032 4.120 -0.000 0.000 0.311 1158 V C 0.119 176.252 176.094 0.064 0.000 1.073 1158 V CA -0.358 62.026 62.300 0.140 0.000 0.921 1158 V CB 1.726 33.625 31.823 0.126 0.000 1.009 1158 V HN 1.718 nan 8.190 nan 0.000 0.426 1159 A N 2.317 125.169 122.820 0.054 0.000 2.398 1159 A HA 0.748 5.068 4.320 -0.000 0.000 0.301 1159 A C -0.929 176.644 177.584 -0.017 0.000 1.041 1159 A CA -0.447 51.613 52.037 0.038 0.000 0.711 1159 A CB 1.605 20.701 19.000 0.160 0.000 1.240 1159 A HN 1.066 nan 8.150 nan 0.000 0.420 1160 C N 2.136 121.410 119.300 -0.044 0.000 2.345 1160 C HA 0.864 5.324 4.460 -0.000 0.000 0.323 1160 C C -0.031 174.972 174.990 0.023 0.000 1.276 1160 C CA -0.023 58.963 59.018 -0.053 0.000 1.543 1160 C CB 0.118 27.795 27.740 -0.103 0.000 2.211 1160 C HN 0.859 nan 8.230 nan 0.000 0.493 1161 S N 3.344 119.081 115.700 0.062 0.000 2.548 1161 S HA 0.634 5.104 4.470 -0.000 0.000 0.286 1161 S C -1.349 173.291 174.600 0.067 0.000 1.098 1161 S CA -0.484 57.764 58.200 0.081 0.000 0.930 1161 S CB 1.766 65.054 63.200 0.146 0.000 1.070 1161 S HN 0.885 nan 8.310 nan 0.000 0.480 1162 E N 1.440 121.668 120.200 0.045 0.000 2.248 1162 E HA 0.679 5.029 4.350 -0.000 0.000 0.267 1162 E C -1.230 175.381 176.600 0.018 0.000 0.877 1162 E CA -0.821 55.589 56.400 0.018 0.000 0.759 1162 E CB 1.448 31.142 29.700 -0.010 0.000 1.182 1162 E HN 0.487 nan 8.360 nan 0.000 0.418 1163 V N 0.430 120.348 119.914 0.007 0.000 3.141 1163 V HA 0.701 4.821 4.120 -0.000 0.000 0.312 1163 V C -0.990 175.094 176.094 -0.018 0.000 1.157 1163 V CA -0.842 61.483 62.300 0.040 0.000 1.041 1163 V CB 1.853 33.724 31.823 0.081 0.000 1.071 1163 V HN 0.845 nan 8.190 nan 0.000 0.441 1164 E N 1.626 121.840 120.200 0.024 0.000 2.263 1164 E HA 0.655 5.005 4.350 -0.000 0.000 0.268 1164 E C -1.192 175.475 176.600 0.112 0.000 0.884 1164 E CA -0.867 55.519 56.400 -0.023 0.000 0.766 1164 E CB 2.110 31.742 29.700 -0.112 0.000 1.196 1164 E HN 0.951 nan 8.360 nan 0.000 0.416 1165 I N 0.477 121.122 120.570 0.125 0.000 2.750 1165 I HA 0.564 4.734 4.170 -0.000 0.000 0.308 1165 I C -0.498 175.740 176.117 0.201 0.000 1.016 1165 I CA -0.849 60.554 61.300 0.172 0.000 1.098 1165 I CB 1.870 39.939 38.000 0.114 0.000 1.279 1165 I HN 0.346 nan 8.210 nan 0.000 0.454 1166 D N 4.400 124.924 120.400 0.206 0.000 2.467 1166 D HA 0.261 4.901 4.640 -0.000 0.000 0.220 1166 D C 0.690 177.119 176.300 0.214 0.000 1.103 1166 D CA -0.453 53.681 54.000 0.224 0.000 0.886 1166 D CB 1.323 42.248 40.800 0.208 0.000 1.025 1166 D HN 0.772 nan 8.370 nan 0.000 0.514 1167 C N 3.050 122.504 119.300 0.256 0.000 2.409 1167 C HA -0.083 4.377 4.460 -0.000 0.000 0.284 1167 C C 2.472 177.606 174.990 0.240 0.000 1.354 1167 C CA 0.181 59.357 59.018 0.263 0.000 1.787 1167 C CB -0.914 27.040 27.740 0.358 0.000 1.900 1167 C HN 0.657 nan 8.230 nan 0.000 0.520 1168 L N 0.715 122.061 121.223 0.205 0.000 2.529 1168 L HA 0.028 4.367 4.340 -0.000 0.000 0.223 1168 L C 2.400 179.269 176.870 -0.002 0.000 1.113 1168 L CA 1.542 56.416 54.840 0.057 0.000 0.861 1168 L CB -0.322 41.721 42.059 -0.026 0.000 1.012 1168 L HN 0.581 nan 8.230 nan 0.000 0.461 1169 T N -6.334 108.273 114.554 0.088 0.000 2.992 1169 T HA 0.274 4.624 4.350 -0.000 0.000 0.255 1169 T C 1.373 176.198 174.700 0.208 0.000 0.938 1169 T CA 0.608 62.765 62.100 0.095 0.000 0.895 1169 T CB 1.105 70.058 68.868 0.141 0.000 1.221 1169 T HN 0.218 nan 8.240 nan 0.000 0.512 1170 G N 1.408 110.316 108.800 0.180 0.000 2.175 1170 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.244 1170 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.244 1170 G C -0.174 174.813 174.900 0.144 0.000 0.982 1170 G CA 0.180 45.370 45.100 0.150 0.000 0.641 1170 G HN 0.828 nan 8.290 nan 0.000 0.527 1171 D N 0.957 121.446 120.400 0.148 0.000 2.371 1171 D HA 0.554 5.194 4.640 -0.000 0.000 0.242 1171 D C 0.539 176.962 176.300 0.204 0.000 1.218 1171 D CA 0.696 54.767 54.000 0.118 0.000 0.945 1171 D CB 0.298 41.123 40.800 0.041 0.000 1.137 1171 D HN 0.657 nan 8.370 nan 0.000 0.464 1172 H N -1.438 117.662 119.070 0.051 0.000 3.060 1172 H HA 0.326 4.882 4.556 -0.000 0.000 0.330 1172 H C -1.486 173.898 175.328 0.093 0.000 1.305 1172 H CA -0.905 55.185 56.048 0.070 0.000 1.209 1172 H CB 0.431 30.210 29.762 0.030 0.000 1.913 1172 H HN 0.299 nan 8.280 nan 0.000 0.534 1173 K N 1.933 122.341 120.400 0.013 0.000 2.207 1173 K HA 0.285 4.604 4.320 -0.000 0.000 0.255 1173 K C -0.535 176.099 176.600 0.057 0.000 0.941 1173 K CA -1.141 55.142 56.287 -0.006 0.000 0.825 1173 K CB 1.361 33.913 32.500 0.086 0.000 1.119 1173 K HN 0.441 nan 8.250 nan 0.000 0.430 1174 N N 4.041 122.754 118.700 0.023 0.000 2.719 1174 N HA 0.099 4.839 4.740 -0.000 0.000 0.243 1174 N C 1.057 176.579 175.510 0.020 0.000 1.104 1174 N CA 0.022 53.112 53.050 0.065 0.000 0.981 1174 N CB 0.381 38.900 38.487 0.052 0.000 1.290 1174 N HN 0.452 nan 8.380 nan 0.000 0.513 1175 L N 0.300 121.532 121.223 0.016 0.000 1.971 1175 L HA -0.102 4.237 4.340 -0.000 0.000 0.215 1175 L C 1.191 178.058 176.870 -0.005 0.000 1.072 1175 L CA 1.381 56.217 54.840 -0.008 0.000 0.758 1175 L CB -0.073 41.963 42.059 -0.038 0.000 0.889 1175 L HN 0.410 nan 8.230 nan 0.000 0.433 1176 R N -1.329 119.168 120.500 -0.005 0.000 2.643 1176 R HA 0.415 4.755 4.340 -0.000 0.000 0.269 1176 R C -1.687 174.609 176.300 -0.006 0.000 1.037 1176 R CA -0.399 55.699 56.100 -0.002 0.000 0.894 1176 R CB 2.218 32.524 30.300 0.010 0.000 1.238 1176 R HN -0.179 nan 8.270 nan 0.000 0.459 1177 T N 1.927 116.472 114.554 -0.014 0.000 2.971 1177 T HA 0.350 4.700 4.350 -0.000 0.000 0.304 1177 T C -1.739 172.976 174.700 0.026 0.000 1.038 1177 T CA -0.734 61.349 62.100 -0.030 0.000 1.007 1177 T CB 1.451 70.201 68.868 -0.197 0.000 1.055 1177 T HN 0.445 nan 8.240 nan 0.000 0.451 1178 D N 2.955 123.350 120.400 -0.008 0.000 2.492 1178 D HA 0.493 5.133 4.640 -0.000 0.000 0.248 1178 D C -0.597 175.676 176.300 -0.046 0.000 1.101 1178 D CA -0.266 53.727 54.000 -0.012 0.000 0.840 1178 D CB 1.986 42.775 40.800 -0.019 0.000 1.209 1178 D HN 0.378 nan 8.370 nan 0.000 0.524 1179 I N 1.703 122.240 120.570 -0.054 0.000 2.509 1179 I HA 0.324 4.494 4.170 -0.000 0.000 0.293 1179 I C -0.451 175.649 176.117 -0.029 0.000 1.020 1179 I CA -1.013 60.256 61.300 -0.051 0.000 1.088 1179 I CB 2.583 40.529 38.000 -0.091 0.000 1.267 1179 I HN -0.061 nan 8.210 nan 0.000 0.430 1180 V N 6.493 126.406 119.914 -0.002 0.000 2.376 1180 V HA 0.427 4.547 4.120 -0.000 0.000 0.287 1180 V C -0.430 175.689 176.094 0.041 0.000 1.015 1180 V CA -0.423 61.884 62.300 0.012 0.000 0.834 1180 V CB 1.657 33.486 31.823 0.009 0.000 1.001 1180 V HN 0.608 nan 8.190 nan 0.000 0.428 1181 M N 4.344 123.967 119.600 0.039 0.000 2.311 1181 M HA 0.499 4.979 4.480 -0.000 0.000 0.325 1181 M C -0.809 175.529 176.300 0.064 0.000 1.061 1181 M CA -0.601 54.734 55.300 0.059 0.000 0.957 1181 M CB 1.567 34.192 32.600 0.042 0.000 1.646 1181 M HN 0.655 nan 8.290 nan 0.000 0.434 1182 D N 3.495 123.951 120.400 0.093 0.000 2.380 1182 D HA 0.344 4.984 4.640 -0.000 0.000 0.230 1182 D C 0.126 176.478 176.300 0.087 0.000 1.154 1182 D CA -0.320 53.739 54.000 0.097 0.000 0.859 1182 D CB 0.712 41.602 40.800 0.149 0.000 1.045 1182 D HN 0.424 nan 8.370 nan 0.000 0.495 1183 V N 2.060 122.009 119.914 0.058 0.000 3.085 1183 V HA 0.590 4.710 4.120 -0.000 0.000 0.345 1183 V C 1.165 177.277 176.094 0.029 0.000 1.397 1183 V CA 0.286 62.614 62.300 0.045 0.000 1.165 1183 V CB -0.372 31.464 31.823 0.022 0.000 1.153 1183 V HN 0.700 nan 8.190 nan 0.000 0.495 1184 G N 1.608 110.426 108.800 0.030 0.000 2.594 1184 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.297 1184 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.297 1184 G C 0.157 175.061 174.900 0.006 0.000 1.273 1184 G CA 0.204 45.306 45.100 0.003 0.000 0.974 1184 G HN 1.036 nan 8.290 nan 0.000 0.552 1185 S N 0.520 116.217 115.700 -0.005 0.000 2.494 1185 S HA 0.478 4.948 4.470 -0.000 0.000 0.312 1185 S C 0.632 175.236 174.600 0.006 0.000 1.121 1185 S CA 0.654 58.857 58.200 0.005 0.000 1.068 1185 S CB 0.924 64.126 63.200 0.003 0.000 1.141 1185 S HN 1.169 nan 8.310 nan 0.000 0.527 1186 S N 3.230 118.936 115.700 0.009 0.000 2.563 1186 S HA 0.058 4.528 4.470 -0.000 0.000 0.294 1186 S C 1.301 175.894 174.600 -0.011 0.000 1.279 1186 S CA -0.405 57.792 58.200 -0.005 0.000 1.069 1186 S CB 0.019 63.211 63.200 -0.014 0.000 0.828 1186 S HN 0.651 nan 8.310 nan 0.000 0.497 1187 L N 3.717 124.931 121.223 -0.015 0.000 2.217 1187 L HA 0.111 4.451 4.340 -0.000 0.000 0.211 1187 L C 1.195 178.042 176.870 -0.037 0.000 1.107 1187 L CA 0.542 55.375 54.840 -0.012 0.000 0.783 1187 L CB -0.153 41.905 42.059 -0.002 0.000 0.919 1187 L HN 0.651 nan 8.230 nan 0.000 0.442 1188 N N -0.989 117.674 118.700 -0.061 0.000 2.812 1188 N HA 0.088 4.828 4.740 -0.000 0.000 0.262 1188 N C -2.348 173.063 175.510 -0.166 0.000 1.241 1188 N CA -0.981 52.009 53.050 -0.100 0.000 0.854 1188 N CB 1.545 39.977 38.487 -0.090 0.000 1.506 1188 N HN -0.281 nan 8.380 nan 0.000 0.576 1189 P HA -0.112 nan 4.420 nan 0.000 0.218 1189 P C 1.101 178.107 177.300 -0.490 0.000 1.148 1189 P CA 1.107 63.975 63.100 -0.386 0.000 0.822 1189 P CB 0.372 31.698 31.700 -0.622 0.000 0.784 1190 A N 0.292 122.789 122.820 -0.538 0.000 1.898 1190 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 1190 A C 2.273 179.622 177.584 -0.391 0.000 1.181 1190 A CA 1.381 53.045 52.037 -0.623 0.000 0.620 1190 A CB -1.294 17.047 19.000 -1.098 0.000 0.819 1190 A HN 0.026 nan 8.150 nan 0.000 0.442 1191 I N 0.579 120.994 120.570 -0.259 0.000 2.252 1191 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 1191 I C 1.648 177.700 176.117 -0.108 0.000 1.102 1191 I CA 1.495 62.718 61.300 -0.127 0.000 1.385 1191 I CB -1.484 36.471 38.000 -0.076 0.000 1.064 1191 I HN 0.275 nan 8.210 nan 0.000 0.414 1192 D N 0.780 121.102 120.400 -0.129 0.000 2.123 1192 D HA -0.070 4.570 4.640 -0.000 0.000 0.200 1192 D C 2.392 178.634 176.300 -0.098 0.000 0.976 1192 D CA 0.952 54.896 54.000 -0.094 0.000 0.831 1192 D CB -0.025 40.724 40.800 -0.084 0.000 0.974 1192 D HN 0.294 nan 8.370 nan 0.000 0.469 1193 I N 0.931 121.412 120.570 -0.148 0.000 2.315 1193 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 1193 I C 2.439 178.482 176.117 -0.124 0.000 1.117 1193 I CA 1.167 62.381 61.300 -0.144 0.000 1.404 1193 I CB -0.291 37.598 38.000 -0.185 0.000 1.071 1193 I HN 0.016 nan 8.210 nan 0.000 0.419 1194 G N -0.205 108.528 108.800 -0.112 0.000 2.422 1194 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 1194 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 1194 G C 1.581 176.466 174.900 -0.026 0.000 1.146 1194 G CA 0.296 45.357 45.100 -0.064 0.000 0.769 1194 G HN 0.270 nan 8.290 nan 0.000 0.547 1195 Q N 0.132 119.917 119.800 -0.024 0.000 2.119 1195 Q HA -0.009 4.331 4.340 -0.000 0.000 0.201 1195 Q C 2.984 178.998 176.000 0.024 0.000 0.972 1195 Q CA 0.782 56.589 55.803 0.007 0.000 0.847 1195 Q CB -0.566 28.167 28.738 -0.009 0.000 0.903 1195 Q HN 0.409 nan 8.270 nan 0.000 0.433 1196 V N 1.467 121.381 119.914 -0.000 0.000 2.261 1196 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 1196 V C 2.108 178.253 176.094 0.084 0.000 1.047 1196 V CA 1.986 64.302 62.300 0.027 0.000 1.015 1196 V CB -0.483 31.324 31.823 -0.027 0.000 0.642 1196 V HN 0.397 nan 8.190 nan 0.000 0.446 1197 E N 0.280 120.480 120.200 0.001 0.000 2.072 1197 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 1197 E C 2.324 179.054 176.600 0.216 0.000 0.985 1197 E CA 1.193 57.634 56.400 0.068 0.000 0.801 1197 E CB -0.508 29.109 29.700 -0.137 0.000 0.750 1197 E HN 0.641 nan 8.360 nan 0.000 0.452 1198 G N 1.357 110.223 108.800 0.111 0.000 2.421 1198 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 1198 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 1198 G C 1.717 176.688 174.900 0.117 0.000 1.171 1198 G CA 0.863 46.021 45.100 0.096 0.000 0.775 1198 G HN 0.342 nan 8.290 nan 0.000 0.543 1199 A N 0.241 123.140 122.820 0.130 0.000 1.898 1199 A HA 0.109 4.429 4.320 -0.000 0.000 0.216 1199 A C 2.171 179.827 177.584 0.119 0.000 1.181 1199 A CA 1.476 53.578 52.037 0.108 0.000 0.620 1199 A CB -0.539 18.511 19.000 0.083 0.000 0.819 1199 A HN 0.380 nan 8.150 nan 0.000 0.442 1200 F N 0.655 120.652 119.950 0.079 0.000 2.102 1200 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 1200 F C 2.218 178.071 175.800 0.089 0.000 1.105 1200 F CA 2.041 60.108 58.000 0.113 0.000 1.239 1200 F CB -0.185 38.942 39.000 0.213 0.000 0.991 1200 F HN 0.028 nan 8.300 nan 0.000 0.474 1201 V N 0.096 120.167 119.914 0.262 0.000 2.515 1201 V HA -0.307 3.813 4.120 -0.000 0.000 0.250 1201 V C 2.299 178.360 176.094 -0.054 0.000 1.058 1201 V CA 2.159 64.533 62.300 0.123 0.000 1.064 1201 V CB -0.715 31.223 31.823 0.190 0.000 0.675 1201 V HN 0.438 nan 8.190 nan 0.000 0.461 1202 Q N -0.125 119.631 119.800 -0.072 0.000 2.172 1202 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 1202 Q C 2.249 178.100 176.000 -0.249 0.000 0.964 1202 Q CA 1.522 57.243 55.803 -0.137 0.000 0.855 1202 Q CB -0.305 28.373 28.738 -0.099 0.000 0.918 1202 Q HN 0.667 nan 8.270 nan 0.000 0.444 1203 G N 0.886 109.510 108.800 -0.294 0.000 2.403 1203 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 1203 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 1203 G C 1.299 175.909 174.900 -0.483 0.000 1.154 1203 G CA 0.710 45.523 45.100 -0.478 0.000 0.784 1203 G HN 0.394 nan 8.290 nan 0.000 0.538 1204 L N 1.966 122.961 121.223 -0.379 0.000 2.079 1204 L HA 0.103 4.443 4.340 -0.000 0.000 0.210 1204 L C 2.520 179.294 176.870 -0.159 0.000 1.081 1204 L CA 2.469 57.169 54.840 -0.233 0.000 0.752 1204 L CB -1.202 40.744 42.059 -0.189 0.000 0.896 1204 L HN 0.132 nan 8.230 nan 0.000 0.433 1205 G N -0.208 108.470 108.800 -0.202 0.000 2.414 1205 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.215 1205 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.215 1205 G C 1.584 176.334 174.900 -0.251 0.000 1.188 1205 G CA 0.886 45.869 45.100 -0.195 0.000 0.783 1205 G HN 0.459 nan 8.290 nan 0.000 0.537 1206 L N -0.071 120.907 121.223 -0.408 0.000 2.013 1206 L HA -0.023 4.316 4.340 -0.000 0.000 0.212 1206 L C 2.308 178.943 176.870 -0.392 0.000 1.073 1206 L CA 1.819 56.339 54.840 -0.534 0.000 0.753 1206 L CB -0.648 40.854 42.059 -0.929 0.000 0.890 1206 L HN 0.194 nan 8.230 nan 0.000 0.432 1207 F N -1.009 118.850 119.950 -0.152 0.000 2.780 1207 F HA 0.112 4.639 4.527 -0.000 0.000 0.299 1207 F C 2.030 177.835 175.800 0.009 0.000 1.146 1207 F CA 0.874 58.815 58.000 -0.099 0.000 1.428 1207 F CB -1.038 37.886 39.000 -0.127 0.000 1.115 1207 F HN 0.374 nan 8.300 nan 0.000 0.583 1208 T N -5.380 109.234 114.554 0.099 0.000 3.028 1208 T HA 0.286 4.636 4.350 -0.000 0.000 0.262 1208 T C 1.180 175.896 174.700 0.026 0.000 0.916 1208 T CA 0.157 62.300 62.100 0.073 0.000 0.873 1208 T CB -0.303 68.615 68.868 0.084 0.000 1.232 1208 T HN 0.203 nan 8.240 nan 0.000 0.529 1209 L N -0.118 121.083 121.223 -0.037 0.000 2.758 1209 L HA 0.478 4.818 4.340 -0.000 0.000 0.234 1209 L C 0.195 176.968 176.870 -0.162 0.000 1.049 1209 L CA -0.215 54.576 54.840 -0.083 0.000 0.908 1209 L CB 0.389 42.382 42.059 -0.109 0.000 1.362 1209 L HN 0.123 nan 8.230 nan 0.000 0.499 1210 E N 2.364 122.425 120.200 -0.232 0.000 2.166 1210 E HA 0.151 4.501 4.350 -0.000 0.000 0.279 1210 E C -0.374 176.181 176.600 -0.075 0.000 1.095 1210 E CA 0.220 56.408 56.400 -0.354 0.000 0.888 1210 E CB 0.725 30.200 29.700 -0.374 0.000 1.041 1210 E HN 0.116 nan 8.360 nan 0.000 0.414 1211 E N 4.048 124.258 120.200 0.017 0.000 2.290 1211 E HA 0.288 4.638 4.350 -0.000 0.000 0.274 1211 E C -1.457 175.242 176.600 0.165 0.000 0.889 1211 E CA -0.584 55.870 56.400 0.090 0.000 0.760 1211 E CB 1.112 30.826 29.700 0.023 0.000 1.206 1211 E HN 0.365 nan 8.360 nan 0.000 0.419 1212 L N 4.068 125.341 121.223 0.083 0.000 2.307 1212 L HA 0.490 4.830 4.340 -0.000 0.000 0.284 1212 L C -0.660 176.114 176.870 -0.160 0.000 1.023 1212 L CA -0.753 54.106 54.840 0.032 0.000 0.810 1212 L CB 1.221 43.311 42.059 0.052 0.000 1.231 1212 L HN 0.588 nan 8.230 nan 0.000 0.423 1213 H N 1.653 120.733 119.070 0.018 0.000 2.529 1213 H HA 0.592 5.148 4.556 -0.000 0.000 0.348 1213 H C -1.352 173.791 175.328 -0.309 0.000 1.152 1213 H CA -0.363 55.712 56.048 0.045 0.000 1.202 1213 H CB 1.476 31.357 29.762 0.199 0.000 1.562 1213 H HN 0.293 nan 8.280 nan 0.000 0.515 1214 Y N -0.172 120.101 120.300 -0.046 0.000 2.499 1214 Y HA 0.324 4.874 4.550 -0.000 0.000 0.347 1214 Y C 0.239 175.885 175.900 -0.422 0.000 0.987 1214 Y CA -1.090 56.820 58.100 -0.317 0.000 1.044 1214 Y CB 1.869 40.224 38.460 -0.175 0.000 1.245 1214 Y HN 0.701 nan 8.280 nan 0.000 0.461 1215 S N 1.366 116.741 115.700 -0.541 0.000 2.614 1215 S HA 0.264 4.734 4.470 -0.000 0.000 0.265 1215 S C -2.161 172.374 174.600 -0.108 0.000 1.303 1215 S CA -1.061 56.959 58.200 -0.300 0.000 1.000 1215 S CB 1.418 64.434 63.200 -0.307 0.000 0.935 1215 S HN 0.452 nan 8.310 nan 0.000 0.551 1216 P HA -0.122 nan 4.420 nan 0.000 0.218 1216 P C 0.842 178.120 177.300 -0.036 0.000 1.146 1216 P CA 1.121 64.204 63.100 -0.028 0.000 0.813 1216 P CB -0.041 31.654 31.700 -0.007 0.000 0.778 1217 E N -1.236 118.937 120.200 -0.044 0.000 2.445 1217 E HA 0.148 4.497 4.350 -0.000 0.000 0.189 1217 E C 1.260 177.834 176.600 -0.043 0.000 1.069 1217 E CA 0.617 56.993 56.400 -0.039 0.000 0.871 1217 E CB -1.012 28.668 29.700 -0.035 0.000 0.991 1217 E HN 0.220 nan 8.360 nan 0.000 0.481 1218 G N 1.179 109.952 108.800 -0.045 0.000 2.136 1218 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.242 1218 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.242 1218 G C 0.126 175.050 174.900 0.040 0.000 0.989 1218 G CA 0.491 45.582 45.100 -0.015 0.000 0.682 1218 G HN 0.374 nan 8.290 nan 0.000 0.522 1219 S N -0.287 115.381 115.700 -0.052 0.000 2.438 1219 S HA 0.607 5.077 4.470 -0.000 0.000 0.293 1219 S C 0.392 174.837 174.600 -0.259 0.000 1.141 1219 S CA -0.662 57.477 58.200 -0.101 0.000 1.080 1219 S CB 0.827 63.948 63.200 -0.132 0.000 0.978 1219 S HN 1.153 nan 8.310 nan 0.000 0.479 1220 L N 6.897 128.007 121.223 -0.188 0.000 2.477 1220 L HA 0.260 4.600 4.340 -0.000 0.000 0.272 1220 L C 1.065 177.734 176.870 -0.336 0.000 1.157 1220 L CA 0.735 55.281 54.840 -0.489 0.000 0.889 1220 L CB 0.210 42.067 42.059 -0.337 0.000 1.158 1220 L HN 0.797 nan 8.230 nan 0.000 0.473 1221 H N 1.895 120.795 119.070 -0.282 0.000 2.431 1221 H HA 0.115 4.671 4.556 -0.000 0.000 0.295 1221 H C 0.122 175.456 175.328 0.010 0.000 1.038 1221 H CA 0.845 56.830 56.048 -0.105 0.000 1.360 1221 H CB -0.033 29.633 29.762 -0.161 0.000 1.433 1221 H HN 0.570 nan 8.280 nan 0.000 0.536 1222 T N 3.202 117.820 114.554 0.106 0.000 2.776 1222 T HA 0.244 4.594 4.350 -0.000 0.000 0.292 1222 T C 1.046 175.783 174.700 0.061 0.000 0.921 1222 T CA -0.115 62.067 62.100 0.137 0.000 1.038 1222 T CB 0.397 69.376 68.868 0.185 0.000 0.910 1222 T HN 0.282 nan 8.240 nan 0.000 0.536 1223 R N 1.841 122.400 120.500 0.097 0.000 2.629 1223 R HA 0.432 4.772 4.340 -0.000 0.000 0.408 1223 R C 0.620 176.992 176.300 0.120 0.000 1.057 1223 R CA -0.578 55.576 56.100 0.091 0.000 1.119 1223 R CB 1.263 31.624 30.300 0.101 0.000 1.403 1223 R HN 0.695 nan 8.270 nan 0.000 0.576 1224 G N 0.622 109.520 108.800 0.163 0.000 2.547 1224 G HA2 0.159 4.119 3.960 -0.000 0.000 0.291 1224 G HA3 0.159 4.119 3.960 -0.000 0.000 0.291 1224 G C -2.633 172.433 174.900 0.275 0.000 1.471 1224 G CA -0.816 44.406 45.100 0.203 0.000 0.798 1224 G HN -0.293 nan 8.290 nan 0.000 0.504 1225 P HA -0.121 nan 4.420 nan 0.000 0.223 1225 P C 1.830 179.181 177.300 0.086 0.000 1.144 1225 P CA 1.799 65.005 63.100 0.176 0.000 0.783 1225 P CB 0.171 31.992 31.700 0.201 0.000 0.771 1226 S N -0.344 115.402 115.700 0.077 0.000 2.402 1226 S HA -0.106 4.364 4.470 -0.000 0.000 0.229 1226 S C 1.835 176.460 174.600 0.042 0.000 1.021 1226 S CA 1.917 60.137 58.200 0.033 0.000 0.974 1226 S CB -1.692 61.504 63.200 -0.006 0.000 0.800 1226 S HN 0.360 nan 8.310 nan 0.000 0.484 1227 T N -3.606 111.002 114.554 0.091 0.000 2.999 1227 T HA 0.243 4.593 4.350 -0.000 0.000 0.247 1227 T C 0.193 175.003 174.700 0.183 0.000 1.012 1227 T CA -0.267 61.910 62.100 0.128 0.000 1.048 1227 T CB -0.483 68.486 68.868 0.168 0.000 1.020 1227 T HN 0.325 nan 8.240 nan 0.000 0.478 1228 Y N 3.865 124.200 120.300 0.060 0.000 2.518 1228 Y HA 0.461 5.011 4.550 -0.000 0.000 0.344 1228 Y C -0.653 175.205 175.900 -0.069 0.000 0.982 1228 Y CA -1.777 56.343 58.100 0.033 0.000 1.234 1228 Y CB 0.415 38.924 38.460 0.081 0.000 1.114 1228 Y HN -0.123 nan 8.280 nan 0.000 0.515 1229 K N 8.765 128.932 120.400 -0.388 0.000 2.250 1229 K HA 0.259 4.579 4.320 -0.000 0.000 0.280 1229 K C -0.026 176.299 176.600 -0.458 0.000 1.098 1229 K CA -0.250 55.832 56.287 -0.342 0.000 0.916 1229 K CB 0.187 32.577 32.500 -0.183 0.000 1.209 1229 K HN 0.797 nan 8.250 nan 0.000 0.461 1230 I N -0.785 119.516 120.570 -0.448 0.000 2.970 1230 I HA 0.428 4.598 4.170 -0.000 0.000 0.310 1230 I C -2.184 173.837 176.117 -0.160 0.000 1.010 1230 I CA -2.795 58.299 61.300 -0.344 0.000 1.228 1230 I CB 0.442 38.241 38.000 -0.335 0.000 1.433 1230 I HN 0.132 nan 8.210 nan 0.000 0.573 1231 P HA 0.101 nan 4.420 nan 0.000 0.264 1231 P C -0.738 176.659 177.300 0.161 0.000 1.193 1231 P CA 0.229 63.357 63.100 0.046 0.000 0.763 1231 P CB 0.675 32.434 31.700 0.098 0.000 0.810 1232 A N 2.876 125.691 122.820 -0.008 0.000 2.247 1232 A HA 0.419 4.739 4.320 -0.000 0.000 0.313 1232 A C 0.861 178.008 177.584 -0.728 0.000 1.109 1232 A CA -0.382 51.547 52.037 -0.179 0.000 0.890 1232 A CB -0.210 18.765 19.000 -0.043 0.000 1.239 1232 A HN 0.432 nan 8.150 nan 0.000 0.506 1233 F N 0.445 119.791 119.950 -1.007 0.000 2.091 1233 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 1233 F C 2.449 178.065 175.800 -0.307 0.000 1.103 1233 F CA 2.559 60.009 58.000 -0.918 0.000 1.228 1233 F CB -0.282 38.543 39.000 -0.291 0.000 0.984 1233 F HN 0.599 nan 8.300 nan 0.000 0.477 1234 G N -1.995 106.843 108.800 0.062 0.000 3.210 1234 G HA2 0.034 3.994 3.960 -0.000 0.000 0.220 1234 G HA3 0.034 3.994 3.960 -0.000 0.000 0.220 1234 G C 1.275 176.206 174.900 0.051 0.000 1.200 1234 G CA 0.509 45.678 45.100 0.117 0.000 0.834 1234 G HN 0.294 nan 8.290 nan 0.000 0.524 1235 S N 0.020 115.712 115.700 -0.014 0.000 2.470 1235 S HA 0.168 4.638 4.470 -0.000 0.000 0.222 1235 S C 1.265 175.870 174.600 0.009 0.000 1.024 1235 S CA -0.416 57.773 58.200 -0.020 0.000 0.931 1235 S CB -0.002 63.186 63.200 -0.020 0.000 0.791 1235 S HN 0.615 nan 8.310 nan 0.000 0.513 1236 I N 1.243 121.836 120.570 0.038 0.000 2.938 1236 I HA 0.275 4.445 4.170 -0.000 0.000 0.285 1236 I C -2.598 173.471 176.117 -0.080 0.000 1.182 1236 I CA -2.118 59.178 61.300 -0.007 0.000 1.388 1236 I CB -0.133 37.915 38.000 0.081 0.000 1.390 1236 I HN -0.127 nan 8.210 nan 0.000 0.600 1237 P HA 0.057 nan 4.420 nan 0.000 0.267 1237 P C 0.900 178.149 177.300 -0.085 0.000 1.205 1237 P CA -0.162 62.812 63.100 -0.208 0.000 0.765 1237 P CB 0.771 32.243 31.700 -0.380 0.000 0.828 1238 I N 1.890 122.462 120.570 0.004 0.000 2.091 1238 I HA -0.181 3.988 4.170 -0.000 0.000 0.239 1238 I C 1.029 177.197 176.117 0.084 0.000 1.061 1238 I CA 1.725 63.061 61.300 0.060 0.000 1.317 1238 I CB -1.415 36.614 38.000 0.049 0.000 1.031 1238 I HN 0.431 nan 8.210 nan 0.000 0.401 1239 E N 1.007 121.245 120.200 0.062 0.000 2.046 1239 E HA 0.216 4.566 4.350 -0.000 0.000 0.279 1239 E C -1.062 175.627 176.600 0.148 0.000 0.989 1239 E CA -0.334 56.124 56.400 0.097 0.000 0.798 1239 E CB 0.959 30.696 29.700 0.062 0.000 1.086 1239 E HN -0.019 nan 8.360 nan 0.000 0.399 1240 F N 3.519 123.479 119.950 0.016 0.000 2.403 1240 F HA 0.382 4.909 4.527 -0.000 0.000 0.355 1240 F C -0.358 175.428 175.800 -0.024 0.000 1.119 1240 F CA -1.307 56.682 58.000 -0.018 0.000 1.007 1240 F CB 0.817 39.822 39.000 0.009 0.000 1.194 1240 F HN 0.253 nan 8.300 nan 0.000 0.443 1241 R N 4.251 124.877 120.500 0.210 0.000 2.393 1241 R HA 0.682 5.022 4.340 -0.000 0.000 0.315 1241 R C -1.517 174.745 176.300 -0.063 0.000 0.952 1241 R CA -0.744 55.375 56.100 0.031 0.000 0.842 1241 R CB 2.388 32.710 30.300 0.038 0.000 1.163 1241 R HN 0.321 nan 8.270 nan 0.000 0.450 1242 V N 2.195 122.033 119.914 -0.126 0.000 2.483 1242 V HA 0.426 4.546 4.120 -0.000 0.000 0.297 1242 V C -0.569 175.493 176.094 -0.054 0.000 1.027 1242 V CA -0.652 61.563 62.300 -0.141 0.000 0.855 1242 V CB 2.014 33.681 31.823 -0.260 0.000 0.995 1242 V HN 0.750 nan 8.190 nan 0.000 0.424 1243 S N 5.503 121.187 115.700 -0.028 0.000 2.532 1243 S HA 0.679 5.149 4.470 -0.000 0.000 0.299 1243 S C -0.612 174.000 174.600 0.021 0.000 1.105 1243 S CA -0.604 57.602 58.200 0.010 0.000 1.018 1243 S CB 1.528 64.730 63.200 0.003 0.000 1.021 1243 S HN 0.537 nan 8.310 nan 0.000 0.483 1244 L N 3.278 124.532 121.223 0.052 0.000 2.265 1244 L HA 0.392 4.732 4.340 -0.000 0.000 0.288 1244 L C -0.063 176.836 176.870 0.048 0.000 1.058 1244 L CA -0.908 53.963 54.840 0.051 0.000 0.809 1244 L CB 0.614 42.717 42.059 0.074 0.000 1.179 1244 L HN 0.512 nan 8.230 nan 0.000 0.429 1245 L N 4.879 126.125 121.223 0.039 0.000 2.615 1245 L HA -0.042 4.298 4.340 -0.000 0.000 0.284 1245 L C 0.462 177.349 176.870 0.028 0.000 1.237 1245 L CA 0.899 55.758 54.840 0.031 0.000 0.905 1245 L CB 0.074 42.155 42.059 0.037 0.000 1.149 1245 L HN 0.516 nan 8.230 nan 0.000 0.499 1246 R N 3.996 124.506 120.500 0.017 0.000 2.500 1246 R HA 0.253 4.593 4.340 -0.000 0.000 0.277 1246 R C -0.352 175.952 176.300 0.007 0.000 1.026 1246 R CA -0.565 55.542 56.100 0.011 0.000 1.058 1246 R CB 0.514 30.812 30.300 -0.002 0.000 1.078 1246 R HN 0.751 nan 8.270 nan 0.000 0.509 1247 D N 0.858 121.261 120.400 0.005 0.000 2.803 1247 D HA -0.144 4.496 4.640 -0.000 0.000 0.233 1247 D C -0.309 175.993 176.300 0.005 0.000 1.182 1247 D CA 0.966 54.968 54.000 0.003 0.000 0.726 1247 D CB -1.039 39.761 40.800 -0.001 0.000 0.987 1247 D HN 0.737 nan 8.370 nan 0.000 0.412 1248 C N -1.565 117.739 119.300 0.007 0.000 3.246 1248 C HA 0.345 4.804 4.460 -0.000 0.000 0.204 1248 C C -2.214 172.775 174.990 -0.002 0.000 1.879 1248 C CA -1.680 57.343 59.018 0.009 0.000 1.318 1248 C CB 0.338 28.091 27.740 0.022 0.000 2.288 1248 C HN 0.146 nan 8.230 nan 0.000 0.530 1249 P HA 0.056 nan 4.420 nan 0.000 0.265 1249 P C -0.539 176.729 177.300 -0.053 0.000 1.193 1249 P CA 0.899 63.983 63.100 -0.026 0.000 0.765 1249 P CB 0.695 32.384 31.700 -0.018 0.000 0.823 1250 N N 2.709 121.351 118.700 -0.097 0.000 2.527 1250 N HA 0.063 4.803 4.740 -0.000 0.000 0.236 1250 N C 1.295 176.695 175.510 -0.184 0.000 0.999 1250 N CA -0.649 52.293 53.050 -0.180 0.000 0.935 1250 N CB 0.590 38.886 38.487 -0.320 0.000 1.132 1250 N HN 0.259 nan 8.380 nan 0.000 0.511 1251 K N 2.265 122.585 120.400 -0.134 0.000 2.360 1251 K HA -0.079 4.241 4.320 -0.000 0.000 0.201 1251 K C 0.744 177.274 176.600 -0.116 0.000 1.046 1251 K CA 0.811 57.035 56.287 -0.104 0.000 0.945 1251 K CB 0.134 32.596 32.500 -0.064 0.000 0.750 1251 K HN 0.246 nan 8.250 nan 0.000 0.464 1252 K N 0.565 120.846 120.400 -0.197 0.000 2.288 1252 K HA 0.104 4.424 4.320 -0.000 0.000 0.201 1252 K C 0.782 177.401 176.600 0.032 0.000 1.048 1252 K CA 0.769 56.974 56.287 -0.138 0.000 0.956 1252 K CB 0.250 32.486 32.500 -0.439 0.000 0.746 1252 K HN 0.351 nan 8.250 nan 0.000 0.461 1253 A N 0.850 123.579 122.820 -0.153 0.000 2.387 1253 A HA 0.459 4.779 4.320 -0.000 0.000 0.303 1253 A C -0.525 176.940 177.584 -0.199 0.000 1.145 1253 A CA -0.874 51.094 52.037 -0.114 0.000 0.801 1253 A CB 0.820 19.768 19.000 -0.086 0.000 1.342 1253 A HN 0.125 nan 8.150 nan 0.000 0.440 1254 I N 0.663 121.073 120.570 -0.267 0.000 2.996 1254 I HA -0.018 4.152 4.170 -0.000 0.000 0.310 1254 I C -0.111 175.855 176.117 -0.251 0.000 1.225 1254 I CA 1.121 62.177 61.300 -0.407 0.000 1.442 1254 I CB -0.830 36.938 38.000 -0.388 0.000 1.334 1254 I HN 0.618 nan 8.210 nan 0.000 0.550 1255 Y N 5.419 125.589 120.300 -0.216 0.000 3.305 1255 Y HA -0.250 4.299 4.550 -0.000 0.000 0.214 1255 Y C 1.395 177.225 175.900 -0.117 0.000 1.185 1255 Y CA 1.075 59.083 58.100 -0.153 0.000 1.326 1255 Y CB -2.203 36.185 38.460 -0.119 0.000 1.367 1255 Y HN 1.038 nan 8.280 nan 0.000 0.588 1256 A N -1.686 121.120 122.820 -0.022 0.000 2.887 1256 A HA -0.179 4.141 4.320 -0.000 0.000 0.257 1256 A C 1.099 178.648 177.584 -0.058 0.000 1.372 1256 A CA 1.044 53.050 52.037 -0.051 0.000 0.879 1256 A CB -1.884 17.104 19.000 -0.019 0.000 1.082 1256 A HN 1.378 nan 8.150 nan 0.000 0.703 1257 S N -1.170 114.497 115.700 -0.054 0.000 2.694 1257 S HA 0.827 5.297 4.470 -0.000 0.000 0.278 1257 S C -0.072 174.483 174.600 -0.074 0.000 1.152 1257 S CA -0.181 57.994 58.200 -0.041 0.000 1.010 1257 S CB 1.487 64.680 63.200 -0.012 0.000 1.104 1257 S HN 0.579 nan 8.310 nan 0.000 0.547 1258 K N -0.568 119.827 120.400 -0.008 0.000 2.508 1258 K HA 0.633 4.953 4.320 -0.000 0.000 0.260 1258 K C -0.843 175.831 176.600 0.123 0.000 0.949 1258 K CA -0.822 55.515 56.287 0.084 0.000 0.834 1258 K CB 2.251 34.815 32.500 0.107 0.000 1.365 1258 K HN 0.850 nan 8.250 nan 0.000 0.437 1259 A N 1.070 124.012 122.820 0.203 0.000 2.520 1259 A HA 0.150 4.470 4.320 -0.000 0.000 0.235 1259 A C 0.595 178.192 177.584 0.022 0.000 1.065 1259 A CA 0.067 52.144 52.037 0.066 0.000 0.764 1259 A CB 0.557 19.564 19.000 0.010 0.000 1.002 1259 A HN 0.543 nan 8.150 nan 0.000 0.502 1260 V N 2.372 122.271 119.914 -0.024 0.000 3.408 1260 V HA 0.234 4.354 4.120 -0.000 0.000 0.263 1260 V C 1.801 177.852 176.094 -0.072 0.000 1.503 1260 V CA 1.608 63.885 62.300 -0.038 0.000 1.046 1260 V CB -0.453 31.357 31.823 -0.023 0.000 0.851 1260 V HN 1.172 nan 8.190 nan 0.000 0.435 1261 G N 0.617 109.370 108.800 -0.079 0.000 2.599 1261 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.219 1261 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.219 1261 G C 1.225 176.057 174.900 -0.114 0.000 1.193 1261 G CA 1.764 46.818 45.100 -0.076 0.000 0.778 1261 G HN 0.624 nan 8.290 nan 0.000 0.589 1262 E N 0.501 120.546 120.200 -0.258 0.000 2.099 1262 E HA 0.018 4.368 4.350 -0.000 0.000 0.191 1262 E C 0.051 176.286 176.600 -0.608 0.000 0.962 1262 E CA 0.243 56.382 56.400 -0.434 0.000 0.826 1262 E CB -0.207 29.107 29.700 -0.643 0.000 0.788 1262 E HN 0.273 nan 8.360 nan 0.000 0.461 1263 P HA -0.203 nan 4.420 nan 0.000 0.222 1263 P C -1.650 175.593 177.300 -0.094 0.000 1.157 1263 P CA 2.208 65.033 63.100 -0.458 0.000 0.905 1263 P CB -0.867 30.715 31.700 -0.197 0.000 0.792 1264 P HA -0.106 nan 4.420 nan 0.000 0.218 1264 P C 1.664 179.061 177.300 0.162 0.000 1.149 1264 P CA 0.820 63.987 63.100 0.111 0.000 0.817 1264 P CB -0.459 31.307 31.700 0.111 0.000 0.785 1265 L N -1.475 119.792 121.223 0.075 0.000 2.051 1265 L HA -0.231 4.108 4.340 -0.000 0.000 0.214 1265 L C 2.239 179.176 176.870 0.111 0.000 1.076 1265 L CA 1.752 56.621 54.840 0.049 0.000 0.758 1265 L CB -0.666 41.391 42.059 -0.004 0.000 0.890 1265 L HN -0.082 nan 8.230 nan 0.000 0.433 1266 F N 0.139 120.139 119.950 0.083 0.000 2.234 1266 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 1266 F C 1.988 177.918 175.800 0.217 0.000 1.087 1266 F CA 1.282 59.402 58.000 0.201 0.000 1.340 1266 F CB -0.344 38.755 39.000 0.165 0.000 1.031 1266 F HN -0.016 nan 8.300 nan 0.000 0.500 1267 L N 0.114 121.364 121.223 0.045 0.000 2.450 1267 L HA -0.239 4.101 4.340 -0.000 0.000 0.225 1267 L C 2.496 179.402 176.870 0.061 0.000 1.145 1267 L CA 0.877 55.750 54.840 0.056 0.000 0.801 1267 L CB -1.134 41.115 42.059 0.317 0.000 0.924 1267 L HN 0.282 nan 8.230 nan 0.000 0.447 1268 A N -0.151 122.543 122.820 -0.209 0.000 2.168 1268 A HA 0.049 4.369 4.320 -0.000 0.000 0.215 1268 A C 2.469 179.968 177.584 -0.141 0.000 1.152 1268 A CA 1.056 52.793 52.037 -0.500 0.000 0.716 1268 A CB -0.357 18.227 19.000 -0.694 0.000 0.794 1268 A HN 0.379 nan 8.150 nan 0.000 0.465 1269 A N 0.621 123.232 122.820 -0.349 0.000 2.125 1269 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 1269 A C 2.383 179.931 177.584 -0.060 0.000 1.156 1269 A CA 1.888 53.600 52.037 -0.542 0.000 0.671 1269 A CB -0.811 17.579 19.000 -1.016 0.000 0.794 1269 A HN 0.941 nan 8.150 nan 0.000 0.459 1270 S N -0.048 115.641 115.700 -0.018 0.000 2.382 1270 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 1270 S C 1.801 176.472 174.600 0.119 0.000 1.027 1270 S CA 1.382 59.644 58.200 0.102 0.000 0.991 1270 S CB -0.607 62.677 63.200 0.140 0.000 0.823 1270 S HN 0.501 nan 8.310 nan 0.000 0.469 1271 I N 0.179 120.810 120.570 0.101 0.000 2.353 1271 I HA -0.003 4.167 4.170 -0.000 0.000 0.248 1271 I C 2.271 178.370 176.117 -0.029 0.000 1.119 1271 I CA 1.070 62.410 61.300 0.067 0.000 1.417 1271 I CB -0.303 37.751 38.000 0.090 0.000 1.078 1271 I HN 0.272 nan 8.210 nan 0.000 0.421 1272 F N 1.471 121.295 119.950 -0.210 0.000 2.069 1272 F HA -0.284 4.243 4.527 -0.000 0.000 0.298 1272 F C 1.977 177.510 175.800 -0.446 0.000 1.113 1272 F CA 1.903 59.660 58.000 -0.405 0.000 1.214 1272 F CB -0.335 38.238 39.000 -0.712 0.000 0.978 1272 F HN -0.095 nan 8.300 nan 0.000 0.474 1273 F N 0.120 120.020 119.950 -0.083 0.000 2.558 1273 F HA 0.111 4.638 4.527 -0.000 0.000 0.298 1273 F C 2.310 178.035 175.800 -0.125 0.000 1.119 1273 F CA 0.669 58.587 58.000 -0.135 0.000 1.451 1273 F CB -1.044 37.948 39.000 -0.013 0.000 1.091 1273 F HN 0.081 nan 8.300 nan 0.000 0.563 1274 A N 0.186 123.022 122.820 0.027 0.000 1.930 1274 A HA -0.044 4.276 4.320 -0.000 0.000 0.215 1274 A C 2.222 179.768 177.584 -0.064 0.000 1.176 1274 A CA 1.063 53.109 52.037 0.015 0.000 0.632 1274 A CB -0.751 18.267 19.000 0.029 0.000 0.819 1274 A HN 0.341 nan 8.150 nan 0.000 0.445 1275 I N -0.534 119.927 120.570 -0.181 0.000 2.202 1275 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 1275 I C 2.507 178.499 176.117 -0.208 0.000 1.091 1275 I CA 1.744 62.898 61.300 -0.245 0.000 1.368 1275 I CB -0.236 37.515 38.000 -0.416 0.000 1.058 1275 I HN 0.330 nan 8.210 nan 0.000 0.410 1276 K N 0.749 120.960 120.400 -0.314 0.000 2.280 1276 K HA -0.252 4.068 4.320 -0.000 0.000 0.202 1276 K C 1.562 178.202 176.600 0.068 0.000 1.047 1276 K CA 1.744 57.938 56.287 -0.156 0.000 0.942 1276 K CB -0.027 32.280 32.500 -0.321 0.000 0.739 1276 K HN 0.202 nan 8.250 nan 0.000 0.457 1277 D N -0.324 120.094 120.400 0.030 0.000 2.123 1277 D HA -0.039 4.601 4.640 -0.000 0.000 0.200 1277 D C 1.660 177.995 176.300 0.057 0.000 0.976 1277 D CA 1.174 55.218 54.000 0.073 0.000 0.831 1277 D CB 0.081 40.917 40.800 0.059 0.000 0.974 1277 D HN 0.305 nan 8.370 nan 0.000 0.469 1278 A N 0.147 122.979 122.820 0.021 0.000 1.898 1278 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 1278 A C 2.296 179.894 177.584 0.024 0.000 1.181 1278 A CA 0.936 52.986 52.037 0.022 0.000 0.620 1278 A CB -0.782 18.224 19.000 0.009 0.000 0.819 1278 A HN 0.302 nan 8.150 nan 0.000 0.442 1279 I N -0.808 119.775 120.570 0.022 0.000 2.163 1279 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 1279 I C 2.716 178.782 176.117 -0.085 0.000 1.085 1279 I CA 1.884 63.178 61.300 -0.011 0.000 1.347 1279 I CB -0.338 37.682 38.000 0.033 0.000 1.044 1279 I HN 0.404 nan 8.210 nan 0.000 0.408 1280 R N 1.236 121.750 120.500 0.024 0.000 2.096 1280 R HA -0.241 4.099 4.340 -0.000 0.000 0.240 1280 R C 2.372 178.639 176.300 -0.055 0.000 1.139 1280 R CA 1.927 58.022 56.100 -0.008 0.000 0.952 1280 R CB -0.365 30.064 30.300 0.216 0.000 0.854 1280 R HN 0.378 nan 8.270 nan 0.000 0.436 1281 A N 0.515 123.323 122.820 -0.019 0.000 1.940 1281 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 1281 A C 2.343 179.856 177.584 -0.119 0.000 1.176 1281 A CA 1.876 53.884 52.037 -0.047 0.000 0.631 1281 A CB -0.758 18.237 19.000 -0.009 0.000 0.814 1281 A HN 0.598 nan 8.150 nan 0.000 0.446 1282 A N -0.343 122.418 122.820 -0.098 0.000 1.897 1282 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 1282 A C 2.232 179.725 177.584 -0.152 0.000 1.181 1282 A CA 1.360 53.328 52.037 -0.115 0.000 0.620 1282 A CB -0.404 18.623 19.000 0.045 0.000 0.821 1282 A HN 0.544 nan 8.150 nan 0.000 0.443 1283 R N -0.360 120.048 120.500 -0.154 0.000 2.092 1283 R HA -0.032 4.308 4.340 -0.000 0.000 0.231 1283 R C 2.435 178.646 176.300 -0.149 0.000 1.119 1283 R CA 1.122 57.122 56.100 -0.167 0.000 0.970 1283 R CB -0.449 29.655 30.300 -0.327 0.000 0.864 1283 R HN 0.498 nan 8.270 nan 0.000 0.440 1284 A N 0.893 123.622 122.820 -0.153 0.000 1.902 1284 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 1284 A C 2.057 179.545 177.584 -0.160 0.000 1.181 1284 A CA 1.348 53.313 52.037 -0.119 0.000 0.623 1284 A CB -0.413 18.535 19.000 -0.086 0.000 0.818 1284 A HN 0.354 nan 8.150 nan 0.000 0.443 1285 Q N -1.535 118.094 119.800 -0.285 0.000 2.331 1285 Q HA -0.099 4.241 4.340 -0.000 0.000 0.203 1285 Q C 0.780 176.533 176.000 -0.412 0.000 0.944 1285 Q CA 1.084 56.646 55.803 -0.401 0.000 0.892 1285 Q CB 0.017 28.390 28.738 -0.609 0.000 0.983 1285 Q HN 0.918 nan 8.270 nan 0.000 0.482 1286 H N -1.395 117.599 119.070 -0.125 0.000 2.672 1286 H HA 0.288 4.844 4.556 -0.000 0.000 0.277 1286 H C -0.584 174.699 175.328 -0.075 0.000 1.074 1286 H CA -0.231 55.750 56.048 -0.113 0.000 1.173 1286 H CB 1.059 30.753 29.762 -0.114 0.000 1.558 1286 H HN -0.018 nan 8.280 nan 0.000 0.539 1287 T N -1.357 113.200 114.554 0.006 0.000 2.865 1287 T HA 0.319 4.669 4.350 -0.000 0.000 0.294 1287 T C 1.127 175.816 174.700 -0.019 0.000 1.119 1287 T CA -0.495 61.601 62.100 -0.007 0.000 1.007 1287 T CB 1.785 70.640 68.868 -0.023 0.000 1.225 1287 T HN 0.231 nan 8.240 nan 0.000 0.515 1288 G N 0.691 109.484 108.800 -0.012 0.000 3.383 1288 G HA2 0.166 4.126 3.960 -0.000 0.000 0.251 1288 G HA3 0.166 4.126 3.960 -0.000 0.000 0.251 1288 G C 0.090 174.987 174.900 -0.005 0.000 1.203 1288 G CA -0.377 44.717 45.100 -0.009 0.000 0.852 1288 G HN 0.630 nan 8.290 nan 0.000 0.531 1289 N N 0.684 119.378 118.700 -0.010 0.000 2.530 1289 N HA 0.105 4.845 4.740 -0.000 0.000 0.273 1289 N C -0.156 175.359 175.510 0.008 0.000 1.173 1289 N CA -0.512 52.539 53.050 0.001 0.000 0.967 1289 N CB 0.668 39.148 38.487 -0.010 0.000 1.109 1289 N HN 0.091 nan 8.380 nan 0.000 0.453 1290 N N 0.525 119.241 118.700 0.027 0.000 2.454 1290 N HA -0.064 4.676 4.740 -0.000 0.000 0.254 1290 N C 1.056 176.592 175.510 0.043 0.000 1.228 1290 N CA -0.006 53.065 53.050 0.034 0.000 0.900 1290 N CB 0.978 39.492 38.487 0.045 0.000 1.089 1290 N HN 0.361 nan 8.380 nan 0.000 0.449 1291 V N 3.424 123.360 119.914 0.037 0.000 2.380 1291 V HA -0.211 3.908 4.120 -0.000 0.000 0.251 1291 V C 1.168 177.305 176.094 0.072 0.000 1.063 1291 V CA 1.909 64.235 62.300 0.043 0.000 1.055 1291 V CB -0.314 31.530 31.823 0.035 0.000 0.657 1291 V HN 0.702 nan 8.190 nan 0.000 0.455 1292 K N 0.738 121.185 120.400 0.077 0.000 2.596 1292 K HA 0.135 4.455 4.320 -0.000 0.000 0.211 1292 K C 0.524 177.197 176.600 0.122 0.000 1.046 1292 K CA -0.156 56.190 56.287 0.097 0.000 1.202 1292 K CB 0.057 32.611 32.500 0.089 0.000 0.925 1292 K HN 0.670 nan 8.250 nan 0.000 0.486 1293 E N 1.640 121.924 120.200 0.139 0.000 2.392 1293 E HA 0.009 4.359 4.350 -0.000 0.000 0.264 1293 E C -0.802 175.947 176.600 0.247 0.000 1.024 1293 E CA -0.063 56.443 56.400 0.176 0.000 0.903 1293 E CB 0.586 30.387 29.700 0.168 0.000 0.963 1293 E HN 0.165 nan 8.360 nan 0.000 0.432 1294 L N 6.402 127.754 121.223 0.215 0.000 2.335 1294 L HA 0.326 4.666 4.340 -0.000 0.000 0.268 1294 L C -0.552 176.434 176.870 0.192 0.000 1.037 1294 L CA -0.974 53.965 54.840 0.165 0.000 0.895 1294 L CB -0.180 41.960 42.059 0.135 0.000 1.266 1294 L HN 0.447 nan 8.230 nan 0.000 0.439 1295 F N 0.284 120.287 119.950 0.089 0.000 2.399 1295 F HA 0.640 5.167 4.527 -0.000 0.000 0.328 1295 F C 0.314 176.174 175.800 0.099 0.000 1.084 1295 F CA -1.350 56.697 58.000 0.078 0.000 1.053 1295 F CB 0.585 39.617 39.000 0.054 0.000 1.209 1295 F HN 0.278 nan 8.300 nan 0.000 0.502 1296 R N 2.577 123.174 120.500 0.163 0.000 2.308 1296 R HA 0.605 4.945 4.340 -0.000 0.000 0.305 1296 R C -1.745 174.632 176.300 0.128 0.000 1.053 1296 R CA -0.741 55.419 56.100 0.100 0.000 0.957 1296 R CB 0.900 31.275 30.300 0.126 0.000 1.022 1296 R HN 0.877 nan 8.270 nan 0.000 0.461 1297 L N 4.873 126.146 121.223 0.084 0.000 2.457 1297 L HA 0.374 4.714 4.340 -0.000 0.000 0.266 1297 L C -1.422 175.580 176.870 0.219 0.000 0.979 1297 L CA -0.412 54.493 54.840 0.109 0.000 0.857 1297 L CB 1.572 43.607 42.059 -0.040 0.000 1.213 1297 L HN 0.671 nan 8.230 nan 0.000 0.418 1298 D N 1.965 122.494 120.400 0.215 0.000 2.329 1298 D HA 0.210 4.850 4.640 -0.000 0.000 0.246 1298 D C -0.404 176.066 176.300 0.284 0.000 1.111 1298 D CA -0.029 54.125 54.000 0.256 0.000 0.941 1298 D CB 1.883 42.846 40.800 0.271 0.000 1.169 1298 D HN 0.447 nan 8.370 nan 0.000 0.441 1299 S N 0.749 116.569 115.700 0.201 0.000 2.508 1299 S HA 0.421 4.891 4.470 -0.000 0.000 0.284 1299 S C -2.519 172.174 174.600 0.155 0.000 1.192 1299 S CA -1.418 56.874 58.200 0.153 0.000 1.070 1299 S CB 1.064 64.236 63.200 -0.047 0.000 1.004 1299 S HN 0.205 nan 8.310 nan 0.000 0.493 1300 P HA 0.264 nan 4.420 nan 0.000 0.284 1300 P C -1.273 176.127 177.300 0.166 0.000 1.253 1300 P CA -0.565 62.628 63.100 0.155 0.000 0.800 1300 P CB 0.988 32.731 31.700 0.071 0.000 0.961 1301 A N 2.965 125.915 122.820 0.217 0.000 2.981 1301 A HA 0.327 4.647 4.320 -0.000 0.000 0.280 1301 A C 1.058 178.629 177.584 -0.022 0.000 1.743 1301 A CA -0.091 51.978 52.037 0.054 0.000 1.430 1301 A CB -1.443 17.479 19.000 -0.130 0.000 1.085 1301 A HN 0.621 nan 8.150 nan 0.000 0.597 1302 T N -0.774 113.767 114.554 -0.021 0.000 2.788 1302 T HA 0.393 4.743 4.350 -0.000 0.000 0.280 1302 T C -1.395 173.232 174.700 -0.121 0.000 0.984 1302 T CA -1.323 60.749 62.100 -0.047 0.000 0.972 1302 T CB 0.690 69.536 68.868 -0.037 0.000 1.039 1302 T HN 0.244 nan 8.240 nan 0.000 0.530 1303 P HA -0.130 nan 4.420 nan 0.000 0.218 1303 P C 1.350 178.287 177.300 -0.603 0.000 1.148 1303 P CA 1.163 64.173 63.100 -0.149 0.000 0.822 1303 P CB 0.095 31.822 31.700 0.046 0.000 0.784 1304 E N 1.164 120.776 120.200 -0.979 0.000 2.017 1304 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 1304 E C 1.934 178.114 176.600 -0.699 0.000 0.997 1304 E CA 1.381 56.779 56.400 -1.671 0.000 0.804 1304 E CB -0.217 28.964 29.700 -0.865 0.000 0.757 1304 E HN 0.135 nan 8.360 nan 0.000 0.448 1305 K N 0.190 120.388 120.400 -0.336 0.000 2.103 1305 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 1305 K C 2.311 178.841 176.600 -0.116 0.000 1.048 1305 K CA 1.410 57.609 56.287 -0.146 0.000 0.930 1305 K CB -0.161 32.309 32.500 -0.049 0.000 0.716 1305 K HN 0.303 nan 8.250 nan 0.000 0.444 1306 I N 0.494 120.978 120.570 -0.143 0.000 2.202 1306 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 1306 I C 2.618 178.713 176.117 -0.036 0.000 1.091 1306 I CA 0.937 62.188 61.300 -0.082 0.000 1.368 1306 I CB -0.157 37.799 38.000 -0.074 0.000 1.058 1306 I HN 0.077 nan 8.210 nan 0.000 0.410 1307 R N 1.707 122.175 120.500 -0.053 0.000 2.073 1307 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 1307 R C 1.950 178.293 176.300 0.071 0.000 1.134 1307 R CA 1.747 57.892 56.100 0.075 0.000 0.952 1307 R CB -0.530 29.944 30.300 0.289 0.000 0.850 1307 R HN 0.286 nan 8.270 nan 0.000 0.433 1308 N N 0.231 118.944 118.700 0.022 0.000 2.289 1308 N HA -0.111 4.629 4.740 -0.000 0.000 0.184 1308 N C 1.284 176.813 175.510 0.031 0.000 1.016 1308 N CA 1.466 54.543 53.050 0.045 0.000 0.872 1308 N CB -0.289 38.213 38.487 0.025 0.000 0.973 1308 N HN 0.385 nan 8.380 nan 0.000 0.433 1309 A N -0.290 122.539 122.820 0.014 0.000 2.067 1309 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 1309 A C 1.312 178.867 177.584 -0.049 0.000 1.156 1309 A CA 0.244 52.279 52.037 -0.003 0.000 0.683 1309 A CB -0.228 18.794 19.000 0.037 0.000 0.808 1309 A HN 0.335 nan 8.150 nan 0.000 0.455 1310 C N 1.923 121.227 119.300 0.007 0.000 3.305 1310 C HA 0.380 4.840 4.460 -0.000 0.000 0.566 1310 C C 0.833 175.868 174.990 0.075 0.000 1.178 1310 C CA -1.144 57.901 59.018 0.044 0.000 1.317 1310 C CB -2.546 25.260 27.740 0.110 0.000 1.634 1310 C HN 0.346 nan 8.230 nan 0.000 0.643 1311 V N 3.672 123.602 119.914 0.026 0.000 2.975 1311 V HA 0.124 4.244 4.120 -0.000 0.000 0.300 1311 V C 0.279 176.411 176.094 0.064 0.000 1.186 1311 V CA 1.229 63.550 62.300 0.034 0.000 1.311 1311 V CB 0.239 32.062 31.823 -0.001 0.000 0.917 1311 V HN 0.906 nan 8.190 nan 0.000 0.512 1312 D N 0.875 121.296 120.400 0.036 0.000 2.827 1312 D HA 0.175 4.815 4.640 -0.000 0.000 0.336 1312 D C 0.390 176.621 176.300 -0.115 0.000 1.374 1312 D CA -0.311 53.680 54.000 -0.014 0.000 0.794 1312 D CB 0.553 41.362 40.800 0.016 0.000 1.364 1312 D HN 0.401 nan 8.370 nan 0.000 0.464 1313 K N -0.408 119.817 120.400 -0.291 0.000 2.211 1313 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 1313 K C 1.169 177.516 176.600 -0.423 0.000 1.047 1313 K CA 1.419 57.460 56.287 -0.411 0.000 0.935 1313 K CB -0.572 31.578 32.500 -0.583 0.000 0.728 1313 K HN 0.265 nan 8.250 nan 0.000 0.452 1314 F N 2.590 122.450 119.950 -0.150 0.000 2.187 1314 F HA -0.079 4.448 4.527 -0.000 0.000 0.295 1314 F C 2.949 178.688 175.800 -0.100 0.000 1.091 1314 F CA 1.482 59.389 58.000 -0.156 0.000 1.308 1314 F CB -1.171 37.703 39.000 -0.209 0.000 1.030 1314 F HN 0.185 nan 8.300 nan 0.000 0.487 1315 T N -3.555 111.066 114.554 0.111 0.000 2.867 1315 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 1315 T C 1.834 176.549 174.700 0.025 0.000 1.057 1315 T CA 1.694 63.832 62.100 0.063 0.000 1.136 1315 T CB -1.059 67.847 68.868 0.064 0.000 0.874 1315 T HN 0.172 nan 8.240 nan 0.000 0.466 1316 T N 2.247 116.797 114.554 -0.006 0.000 2.881 1316 T HA 0.129 4.479 4.350 -0.000 0.000 0.270 1316 T C 1.569 176.255 174.700 -0.024 0.000 1.068 1316 T CA 0.603 62.689 62.100 -0.024 0.000 1.131 1316 T CB -0.238 68.597 68.868 -0.054 0.000 0.871 1316 T HN 0.219 nan 8.240 nan 0.000 0.479 1317 L N 0.112 121.321 121.223 -0.023 0.000 2.558 1317 L HA 0.140 4.480 4.340 -0.000 0.000 0.225 1317 L C 1.505 178.375 176.870 -0.000 0.000 1.128 1317 L CA 0.854 55.680 54.840 -0.022 0.000 0.868 1317 L CB -0.587 41.458 42.059 -0.024 0.000 1.006 1317 L HN 0.429 nan 8.230 nan 0.000 0.454 1318 C N -1.424 117.885 119.300 0.014 0.000 3.403 1318 C HA 0.161 4.621 4.460 -0.000 0.000 0.317 1318 C C 1.270 176.287 174.990 0.045 0.000 1.346 1318 C CA -0.832 58.205 59.018 0.031 0.000 1.743 1318 C CB -0.016 27.730 27.740 0.009 0.000 2.308 1318 C HN 0.264 nan 8.230 nan 0.000 0.675 1319 V N 1.601 121.536 119.914 0.034 0.000 2.678 1319 V HA 0.164 4.284 4.120 -0.000 0.000 0.304 1319 V C 0.572 176.699 176.094 0.054 0.000 1.086 1319 V CA 0.978 63.301 62.300 0.038 0.000 1.246 1319 V CB -0.423 31.415 31.823 0.025 0.000 0.861 1319 V HN 0.433 nan 8.190 nan 0.000 0.491 1320 T N 3.020 117.610 114.554 0.059 0.000 3.225 1320 T HA 0.672 5.022 4.350 -0.000 0.000 0.347 1320 T C 0.552 175.288 174.700 0.059 0.000 1.254 1320 T CA 0.157 62.304 62.100 0.079 0.000 0.950 1320 T CB 0.776 69.680 68.868 0.058 0.000 1.873 1320 T HN 2.027 nan 8.240 nan 0.000 0.563 1321 G N 0.748 109.582 108.800 0.058 0.000 3.532 1321 G HA2 0.396 4.356 3.960 -0.000 0.000 0.272 1321 G HA3 0.396 4.356 3.960 -0.000 0.000 0.272 1321 G C -0.981 173.943 174.900 0.041 0.000 3.843 1321 G CA -0.617 44.508 45.100 0.041 0.000 0.482 1321 G HN 0.702 nan 8.290 nan 0.000 0.274 1322 V N 3.912 123.847 119.914 0.036 0.000 2.475 1322 V HA 0.142 4.262 4.120 -0.000 0.000 0.292 1322 V C -0.174 175.937 176.094 0.027 0.000 1.003 1322 V CA -0.578 61.742 62.300 0.033 0.000 1.120 1322 V CB 0.150 31.992 31.823 0.031 0.000 0.937 1322 V HN 0.686 nan 8.190 nan 0.000 0.476 1323 P HA 0.033 nan 4.420 nan 0.000 0.300 1323 P C -0.130 177.180 177.300 0.017 0.000 1.294 1323 P CA -0.409 62.704 63.100 0.022 0.000 0.757 1323 P CB 0.479 32.193 31.700 0.024 0.000 1.377 1324 E N 0.026 120.234 120.200 0.014 0.000 2.159 1324 E HA -0.008 4.342 4.350 -0.000 0.000 0.272 1324 E C -0.114 176.492 176.600 0.011 0.000 1.138 1324 E CA 0.208 56.614 56.400 0.010 0.000 0.915 1324 E CB -1.896 27.808 29.700 0.008 0.000 1.028 1324 E HN 0.331 nan 8.360 nan 0.000 0.423 1325 N N 2.826 121.532 118.700 0.010 0.000 2.701 1325 N HA -0.297 4.443 4.740 -0.000 0.000 0.252 1325 N C -0.069 175.451 175.510 0.017 0.000 1.002 1325 N CA 0.392 53.448 53.050 0.011 0.000 0.758 1325 N CB -1.559 36.932 38.487 0.006 0.000 0.937 1325 N HN 0.716 nan 8.380 nan 0.000 0.538 1326 C N -0.331 118.982 119.300 0.022 0.000 2.727 1326 C HA 0.183 4.643 4.460 -0.000 0.000 0.401 1326 C C 1.005 176.016 174.990 0.033 0.000 1.294 1326 C CA -0.848 58.187 59.018 0.028 0.000 2.134 1326 C CB 1.029 28.788 27.740 0.032 0.000 2.724 1326 C HN 0.217 nan 8.230 nan 0.000 0.677 1327 K N 4.394 124.817 120.400 0.038 0.000 2.231 1327 K HA 0.377 4.697 4.320 -0.000 0.000 0.275 1327 K C -1.722 174.921 176.600 0.071 0.000 1.105 1327 K CA -1.110 55.204 56.287 0.046 0.000 0.931 1327 K CB 0.539 33.063 32.500 0.040 0.000 1.296 1327 K HN 0.726 nan 8.250 nan 0.000 0.446 1328 P HA -0.018 nan 4.420 nan 0.000 0.274 1328 P C 0.658 178.071 177.300 0.189 0.000 1.260 1328 P CA -0.382 62.797 63.100 0.131 0.000 0.793 1328 P CB 0.595 32.367 31.700 0.121 0.000 1.048 1329 W N 1.649 122.974 121.300 0.042 0.000 2.381 1329 W HA -0.076 4.584 4.660 -0.000 0.000 0.301 1329 W C 0.692 177.320 176.519 0.181 0.000 1.205 1329 W CA 1.901 59.277 57.345 0.052 0.000 1.285 1329 W CB -0.228 29.207 29.460 -0.041 0.000 1.133 1329 W HN 0.509 nan 8.180 nan 0.000 0.521 1330 S N -0.784 115.018 115.700 0.171 0.000 2.697 1330 S HA 0.668 5.138 4.470 -0.000 0.000 0.289 1330 S C -1.235 173.440 174.600 0.126 0.000 1.149 1330 S CA -0.721 57.510 58.200 0.051 0.000 0.850 1330 S CB 1.972 65.244 63.200 0.119 0.000 1.151 1330 S HN 0.208 nan 8.310 nan 0.000 0.491 1331 V N 0.954 120.929 119.914 0.102 0.000 2.777 1331 V HA 0.594 4.714 4.120 -0.000 0.000 0.306 1331 V C -0.393 175.734 176.094 0.055 0.000 1.112 1331 V CA -0.910 61.429 62.300 0.065 0.000 0.917 1331 V CB 1.889 33.722 31.823 0.017 0.000 1.018 1331 V HN 1.142 nan 8.190 nan 0.000 0.426 1332 R N 4.409 124.907 120.500 -0.003 0.000 2.538 1332 R HA 0.372 4.712 4.340 -0.000 0.000 0.282 1332 R C -0.514 175.730 176.300 -0.094 0.000 1.009 1332 R CA 0.199 56.246 56.100 -0.088 0.000 1.063 1332 R CB 0.954 31.069 30.300 -0.309 0.000 0.945 1332 R HN 0.656 nan 8.270 nan 0.000 0.414 1333 V N 0.000 119.902 119.914 -0.019 0.000 2.409 1333 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 1333 V CA 0.000 62.265 62.300 -0.058 0.000 1.235 1333 V CB 0.000 31.666 31.823 -0.261 0.000 1.184 1333 V HN 0.000 nan 8.190 nan 0.000 0.556