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_C 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 0.000 177.486 177.584 -0.164 0.000 1.274 3 A CA 0.000 51.981 52.037 -0.093 0.000 0.836 3 A CB 0.000 18.965 19.000 -0.059 0.000 0.831 4 D N -0.367 120.002 120.400 -0.053 0.000 2.267 4 D HA 0.154 4.794 4.640 -0.001 0.000 0.297 4 D C 0.178 176.643 176.300 0.275 0.000 1.087 4 D CA 0.456 54.472 54.000 0.026 0.000 0.864 4 D CB 0.581 41.414 40.800 0.056 0.000 1.557 4 D HN 0.344 nan 8.370 nan 0.000 0.523 5 K N 1.316 121.855 120.400 0.231 0.000 2.312 5 K HA 0.228 4.547 4.320 -0.001 0.000 0.287 5 K C -0.287 176.547 176.600 0.390 0.000 1.062 5 K CA -0.499 55.951 56.287 0.272 0.000 0.934 5 K CB 1.670 34.279 32.500 0.182 0.000 1.027 5 K HN -0.044 nan 8.250 nan 0.000 0.478 6 L N 5.048 126.450 121.223 0.298 0.000 2.281 6 L HA 0.252 4.591 4.340 -0.001 0.000 0.285 6 L C -1.132 175.936 176.870 0.330 0.000 1.074 6 L CA -0.093 54.907 54.840 0.266 0.000 0.817 6 L CB 1.013 42.951 42.059 -0.203 0.000 1.168 6 L HN 0.306 nan 8.230 nan 0.000 0.434 7 V N 7.243 127.456 119.914 0.498 0.000 2.531 7 V HA 0.655 4.775 4.120 -0.001 0.000 0.301 7 V C -0.416 175.837 176.094 0.266 0.000 1.034 7 V CA -0.416 62.010 62.300 0.210 0.000 0.865 7 V CB 1.098 33.030 31.823 0.181 0.000 0.995 7 V HN 0.749 nan 8.190 nan 0.000 0.424 8 F N 2.773 122.670 119.950 -0.089 0.000 2.899 8 F HA 0.871 5.398 4.527 -0.001 0.000 0.321 8 F C -1.941 173.771 175.800 -0.148 0.000 1.181 8 F CA -1.730 56.293 58.000 0.037 0.000 0.914 8 F CB 1.147 40.179 39.000 0.054 0.000 1.384 8 F HN 0.232 nan 8.300 nan 0.000 0.484 9 F N 0.600 120.602 119.950 0.087 0.000 2.561 9 F HA 0.794 5.320 4.527 -0.001 0.000 0.321 9 F C -0.632 175.204 175.800 0.061 0.000 1.065 9 F CA -1.393 56.574 58.000 -0.055 0.000 0.934 9 F CB 2.292 41.243 39.000 -0.082 0.000 1.215 9 F HN 0.390 nan 8.300 nan 0.000 0.471 10 V N 2.516 122.516 119.914 0.144 0.000 2.524 10 V HA 0.289 4.408 4.120 -0.001 0.000 0.297 10 V C -0.672 175.475 176.094 0.088 0.000 1.035 10 V CA -1.372 61.009 62.300 0.135 0.000 0.867 10 V CB 1.433 33.321 31.823 0.109 0.000 1.004 10 V HN 0.814 nan 8.190 nan 0.000 0.426 11 N N 4.128 122.877 118.700 0.081 0.000 2.727 11 N HA -0.233 4.507 4.740 -0.001 0.000 0.249 11 N C 1.238 176.779 175.510 0.052 0.000 1.048 11 N CA 1.743 54.819 53.050 0.044 0.000 0.714 11 N CB -1.038 37.459 38.487 0.016 0.000 0.959 11 N HN 1.557 nan 8.380 nan 0.000 0.544 12 G N -1.126 107.726 108.800 0.086 0.000 2.417 12 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.233 12 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.233 12 G C 0.214 175.237 174.900 0.205 0.000 1.103 12 G CA 0.511 45.667 45.100 0.094 0.000 0.647 12 G HN 0.565 nan 8.290 nan 0.000 0.512 13 R N 1.233 121.799 120.500 0.111 0.000 2.491 13 R HA 0.438 4.777 4.340 -0.001 0.000 0.283 13 R C 0.521 176.740 176.300 -0.134 0.000 1.072 13 R CA -0.010 56.103 56.100 0.021 0.000 1.048 13 R CB 0.750 31.027 30.300 -0.039 0.000 0.983 13 R HN 0.353 nan 8.270 nan 0.000 0.450 14 K N 2.473 122.671 120.400 -0.337 0.000 2.276 14 K HA 0.194 4.514 4.320 -0.001 0.000 0.283 14 K C -0.941 175.286 176.600 -0.623 0.000 1.044 14 K CA -0.357 55.379 56.287 -0.918 0.000 0.944 14 K CB 0.895 32.920 32.500 -0.791 0.000 1.012 14 K HN 0.262 nan 8.250 nan 0.000 0.472 15 V N 4.870 124.313 119.914 -0.784 0.000 2.459 15 V HA 0.328 4.448 4.120 -0.001 0.000 0.295 15 V C -0.718 175.060 176.094 -0.527 0.000 1.029 15 V CA -0.881 61.041 62.300 -0.631 0.000 0.874 15 V CB 1.747 32.994 31.823 -0.960 0.000 0.985 15 V HN 0.546 nan 8.190 nan 0.000 0.438 16 V N 3.720 123.472 119.914 -0.271 0.000 2.357 16 V HA 0.405 4.525 4.120 -0.001 0.000 0.281 16 V C -0.396 175.678 176.094 -0.034 0.000 1.015 16 V CA -0.592 61.632 62.300 -0.127 0.000 0.827 16 V CB 1.564 33.339 31.823 -0.080 0.000 1.018 16 V HN 0.916 nan 8.190 nan 0.000 0.432 17 E N 3.750 123.955 120.200 0.008 0.000 2.115 17 E HA 0.373 4.722 4.350 -0.001 0.000 0.282 17 E C 0.694 177.331 176.600 0.062 0.000 0.987 17 E CA -0.195 56.240 56.400 0.057 0.000 0.797 17 E CB 1.349 31.076 29.700 0.046 0.000 1.086 17 E HN 0.509 nan 8.360 nan 0.000 0.397 18 K N 3.096 123.536 120.400 0.068 0.000 2.365 18 K HA 0.146 4.465 4.320 -0.001 0.000 0.197 18 K C -0.094 176.562 176.600 0.092 0.000 1.042 18 K CA 0.376 56.712 56.287 0.082 0.000 0.987 18 K CB 0.331 32.869 32.500 0.065 0.000 0.779 18 K HN 0.369 nan 8.250 nan 0.000 0.484 19 N N 0.995 119.739 118.700 0.073 0.000 2.703 19 N HA 0.142 4.882 4.740 -0.001 0.000 0.283 19 N C -1.302 174.228 175.510 0.034 0.000 1.851 19 N CA -0.121 52.974 53.050 0.074 0.000 0.826 19 N CB 1.546 40.074 38.487 0.068 0.000 1.239 19 N HN 0.011 nan 8.380 nan 0.000 0.495 20 A N 0.789 123.584 122.820 -0.042 0.000 2.524 20 A HA 0.048 4.367 4.320 -0.001 0.000 0.250 20 A C 0.273 177.774 177.584 -0.138 0.000 1.078 20 A CA 0.252 52.164 52.037 -0.209 0.000 0.761 20 A CB 0.347 18.965 19.000 -0.637 0.000 1.012 20 A HN 0.305 nan 8.150 nan 0.000 0.500 21 D N 3.411 123.752 120.400 -0.098 0.000 2.232 21 D HA 0.312 4.951 4.640 -0.001 0.000 0.242 21 D C -1.854 174.387 176.300 -0.097 0.000 1.093 21 D CA -1.833 52.146 54.000 -0.035 0.000 0.845 21 D CB 1.590 42.397 40.800 0.011 0.000 1.124 21 D HN 0.148 nan 8.370 nan 0.000 0.467 22 P HA -0.100 nan 4.420 nan 0.000 0.222 22 P C 0.397 177.694 177.300 -0.005 0.000 1.142 22 P CA 1.065 64.144 63.100 -0.036 0.000 0.788 22 P CB 0.321 32.168 31.700 0.246 0.000 0.767 23 E N -1.900 118.315 120.200 0.024 0.000 2.474 23 E HA 0.032 4.381 4.350 -0.001 0.000 0.194 23 E C 0.104 176.705 176.600 0.002 0.000 1.041 23 E CA 0.251 56.676 56.400 0.042 0.000 0.874 23 E CB -0.179 29.560 29.700 0.064 0.000 0.914 23 E HN 0.188 nan 8.360 nan 0.000 0.498 24 T N 2.390 116.921 114.554 -0.039 0.000 2.779 24 T HA 0.091 4.440 4.350 -0.001 0.000 0.296 24 T C 0.368 175.036 174.700 -0.054 0.000 0.938 24 T CA -0.158 61.927 62.100 -0.025 0.000 1.119 24 T CB 0.903 69.769 68.868 -0.002 0.000 0.891 24 T HN 0.139 nan 8.240 nan 0.000 0.526 25 T N 1.412 115.963 114.554 -0.005 0.000 2.899 25 T HA 0.315 4.665 4.350 -0.001 0.000 0.284 25 T C 1.386 176.091 174.700 0.008 0.000 1.004 25 T CA -1.022 61.072 62.100 -0.009 0.000 1.043 25 T CB 0.797 69.683 68.868 0.031 0.000 1.013 25 T HN 0.292 nan 8.240 nan 0.000 0.518 26 L N 1.812 123.019 121.223 -0.027 0.000 2.079 26 L HA 0.037 4.376 4.340 -0.001 0.000 0.210 26 L C 2.102 179.025 176.870 0.088 0.000 1.081 26 L CA 1.629 56.468 54.840 -0.001 0.000 0.752 26 L CB -1.231 40.801 42.059 -0.046 0.000 0.896 26 L HN 0.781 nan 8.230 nan 0.000 0.433 27 L N 0.032 121.296 121.223 0.069 0.000 2.017 27 L HA -0.070 4.269 4.340 -0.001 0.000 0.208 27 L C 2.514 179.432 176.870 0.079 0.000 1.073 27 L CA 2.089 56.974 54.840 0.074 0.000 0.745 27 L CB -1.085 41.015 42.059 0.069 0.000 0.894 27 L HN 0.285 nan 8.230 nan 0.000 0.432 28 A N -1.733 121.135 122.820 0.080 0.000 1.972 28 A HA -0.265 4.054 4.320 -0.001 0.000 0.219 28 A C 2.256 179.891 177.584 0.085 0.000 1.169 28 A CA 1.784 53.861 52.037 0.067 0.000 0.635 28 A CB -1.064 17.969 19.000 0.055 0.000 0.810 28 A HN 0.612 nan 8.150 nan 0.000 0.446 29 Y N 0.102 120.404 120.300 0.005 0.000 2.220 29 Y HA -0.031 4.518 4.550 -0.001 0.000 0.291 29 Y C 2.030 177.951 175.900 0.036 0.000 1.129 29 Y CA 1.530 59.645 58.100 0.025 0.000 1.161 29 Y CB -0.136 38.358 38.460 0.057 0.000 0.997 29 Y HN 0.212 nan 8.280 nan 0.000 0.522 30 L N -0.560 120.774 121.223 0.185 0.000 2.046 30 L HA -0.239 4.100 4.340 -0.001 0.000 0.208 30 L C 2.472 179.349 176.870 0.010 0.000 1.077 30 L CA 1.604 56.507 54.840 0.105 0.000 0.747 30 L CB -0.411 41.710 42.059 0.103 0.000 0.896 30 L HN 0.131 nan 8.230 nan 0.000 0.432 31 R N -0.430 120.073 120.500 0.006 0.000 2.057 31 R HA -0.003 4.337 4.340 -0.001 0.000 0.224 31 R C 2.267 178.536 176.300 -0.051 0.000 1.136 31 R CA 0.896 56.987 56.100 -0.015 0.000 0.968 31 R CB -0.104 30.201 30.300 0.008 0.000 0.863 31 R HN 0.276 nan 8.270 nan 0.000 0.433 32 R N -0.064 120.394 120.500 -0.069 0.000 2.276 32 R HA 0.051 4.391 4.340 -0.001 0.000 0.196 32 R C 1.605 177.804 176.300 -0.168 0.000 0.961 32 R CA 0.580 56.622 56.100 -0.096 0.000 1.024 32 R CB 0.262 30.519 30.300 -0.071 0.000 0.940 32 R HN -0.072 nan 8.270 nan 0.000 0.480 33 K N 0.467 120.703 120.400 -0.274 0.000 2.325 33 K HA 0.199 4.519 4.320 -0.001 0.000 0.203 33 K C 1.418 177.827 176.600 -0.317 0.000 1.128 33 K CA 0.489 56.527 56.287 -0.415 0.000 0.931 33 K CB 0.406 32.325 32.500 -0.968 0.000 1.125 33 K HN -0.044 nan 8.250 nan 0.000 0.487 34 L N 0.010 121.075 121.223 -0.264 0.000 2.558 34 L HA 0.283 4.623 4.340 -0.001 0.000 0.225 34 L C 0.680 177.495 176.870 -0.092 0.000 1.128 34 L CA 0.391 55.148 54.840 -0.140 0.000 0.868 34 L CB -0.040 41.986 42.059 -0.055 0.000 1.006 34 L HN 0.490 nan 8.230 nan 0.000 0.454 35 G N 1.514 110.257 108.800 -0.094 0.000 2.273 35 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.280 35 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.280 35 G C 0.033 174.905 174.900 -0.046 0.000 1.047 35 G CA 0.008 45.066 45.100 -0.070 0.000 0.869 35 G HN 0.291 nan 8.290 nan 0.000 0.502 36 L N 1.277 122.481 121.223 -0.032 0.000 2.297 36 L HA 0.350 4.690 4.340 -0.001 0.000 0.277 36 L C 1.633 178.497 176.870 -0.011 0.000 1.040 36 L CA -0.048 54.782 54.840 -0.017 0.000 0.867 36 L CB 1.332 43.389 42.059 -0.004 0.000 1.244 36 L HN 0.294 nan 8.230 nan 0.000 0.433 37 S N -0.047 115.647 115.700 -0.010 0.000 2.522 37 S HA -0.059 4.411 4.470 -0.001 0.000 0.227 37 S C 1.938 176.535 174.600 -0.005 0.000 0.986 37 S CA 0.410 58.612 58.200 0.003 0.000 0.929 37 S CB 0.012 63.224 63.200 0.020 0.000 0.769 37 S HN 0.733 nan 8.310 nan 0.000 0.529 38 G N 2.128 110.920 108.800 -0.014 0.000 2.513 38 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.219 38 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.219 38 G C 0.641 175.498 174.900 -0.073 0.000 1.160 38 G CA 1.151 46.232 45.100 -0.031 0.000 0.767 38 G HN 0.547 nan 8.290 nan 0.000 0.571 39 T N 2.584 117.106 114.554 -0.053 0.000 2.799 39 T HA 0.408 4.757 4.350 -0.001 0.000 0.296 39 T C 0.023 174.669 174.700 -0.091 0.000 0.947 39 T CA -0.125 61.940 62.100 -0.058 0.000 1.141 39 T CB 1.348 70.210 68.868 -0.010 0.000 0.891 39 T HN 0.032 nan 8.240 nan 0.000 0.533 40 K N 2.167 122.464 120.400 -0.172 0.000 2.123 40 K HA 0.505 4.825 4.320 -0.001 0.000 0.248 40 K C -0.503 176.086 176.600 -0.019 0.000 0.969 40 K CA -1.146 55.002 56.287 -0.231 0.000 0.882 40 K CB 1.842 33.837 32.500 -0.840 0.000 1.080 40 K HN 0.426 nan 8.250 nan 0.000 0.441 41 L N 0.585 121.878 121.223 0.118 0.000 2.262 41 L HA 0.443 4.783 4.340 -0.001 0.000 0.288 41 L C 0.637 177.683 176.870 0.293 0.000 1.035 41 L CA 0.481 55.430 54.840 0.181 0.000 0.820 41 L CB 1.077 43.230 42.059 0.157 0.000 1.204 41 L HN 0.807 nan 8.230 nan 0.000 0.424 42 G N 2.284 111.247 108.800 0.272 0.000 2.759 42 G HA2 0.099 4.058 3.960 -0.001 0.000 0.208 42 G HA3 0.099 4.058 3.960 -0.001 0.000 0.208 42 G C 0.754 175.782 174.900 0.214 0.000 1.076 42 G CA 0.692 45.968 45.100 0.292 0.000 0.789 42 G HN 0.892 nan 8.290 nan 0.000 0.546 43 C N -3.535 115.902 119.300 0.230 0.000 4.717 43 C HA 0.522 4.982 4.460 -0.001 0.000 0.495 43 C C 2.007 177.170 174.990 0.288 0.000 1.530 43 C CA 0.555 59.721 59.018 0.248 0.000 2.309 43 C CB 0.111 28.030 27.740 0.299 0.000 3.351 43 C HN 1.409 nan 8.230 nan 0.000 0.587 44 G N 2.732 111.684 108.800 0.254 0.000 2.180 44 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.263 44 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.263 44 G C 0.281 175.401 174.900 0.366 0.000 0.989 44 G CA 1.311 46.566 45.100 0.259 0.000 0.692 44 G HN 1.180 nan 8.290 nan 0.000 0.526 45 E N -1.782 118.623 120.200 0.342 0.000 2.810 45 E HA 0.445 4.795 4.350 -0.001 0.000 0.214 45 E C 1.420 178.148 176.600 0.213 0.000 0.980 45 E CA 0.257 56.850 56.400 0.322 0.000 1.159 45 E CB 0.223 30.030 29.700 0.179 0.000 1.047 45 E HN 1.444 nan 8.360 nan 0.000 0.484 46 G N 0.616 109.540 108.800 0.206 0.000 2.162 46 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.260 46 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.260 46 G C 0.835 175.836 174.900 0.168 0.000 0.976 46 G CA 0.096 45.303 45.100 0.178 0.000 0.655 46 G HN 0.592 nan 8.290 nan 0.000 0.533 47 G N -0.892 108.016 108.800 0.180 0.000 3.159 47 G HA2 0.313 4.272 3.960 -0.001 0.000 0.232 47 G HA3 0.313 4.272 3.960 -0.001 0.000 0.232 47 G C 1.510 176.531 174.900 0.201 0.000 1.116 47 G CA 1.570 46.773 45.100 0.170 0.000 0.767 47 G HN 1.485 nan 8.290 nan 0.000 0.547 48 C N -2.568 116.876 119.300 0.239 0.000 3.364 48 C HA 0.559 5.018 4.460 -0.001 0.000 0.340 48 C C 2.248 177.388 174.990 0.249 0.000 1.336 48 C CA 0.701 59.882 59.018 0.272 0.000 1.778 48 C CB -0.034 27.919 27.740 0.357 0.000 2.398 48 C HN 1.022 nan 8.230 nan 0.000 0.667 49 G N 1.208 110.136 108.800 0.215 0.000 2.196 49 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.268 49 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.268 49 G C 1.320 176.317 174.900 0.162 0.000 0.975 49 G CA 0.924 46.139 45.100 0.192 0.000 0.648 49 G HN 1.568 nan 8.290 nan 0.000 0.538 50 A N -0.193 122.724 122.820 0.162 0.000 2.131 50 A HA 0.081 4.400 4.320 -0.001 0.000 0.220 50 A C 2.489 180.090 177.584 0.029 0.000 1.158 50 A CA 2.384 54.472 52.037 0.085 0.000 0.665 50 A CB -0.866 18.200 19.000 0.110 0.000 0.795 50 A HN 1.848 nan 8.150 nan 0.000 0.460 51 C N -1.968 117.376 119.300 0.073 0.000 2.780 51 C HA 0.361 4.821 4.460 -0.001 0.000 0.287 51 C C 0.778 175.805 174.990 0.061 0.000 1.288 51 C CA -0.392 58.659 59.018 0.055 0.000 1.713 51 C CB -2.090 25.699 27.740 0.082 0.000 1.955 51 C HN 0.322 nan 8.230 nan 0.000 0.613 52 T N 2.971 117.570 114.554 0.074 0.000 2.867 52 T HA 0.400 4.750 4.350 -0.001 0.000 0.297 52 T C 0.318 175.047 174.700 0.047 0.000 0.989 52 T CA 0.802 62.949 62.100 0.078 0.000 1.159 52 T CB 0.522 69.454 68.868 0.105 0.000 0.928 52 T HN 0.924 nan 8.240 nan 0.000 0.538 53 V N 1.365 121.301 119.914 0.037 0.000 3.141 53 V HA 0.761 4.880 4.120 -0.001 0.000 0.312 53 V C -0.570 175.520 176.094 -0.006 0.000 1.157 53 V CA -1.555 60.752 62.300 0.012 0.000 1.041 53 V CB 2.334 34.164 31.823 0.013 0.000 1.071 53 V HN 0.853 nan 8.190 nan 0.000 0.441 54 M N 2.424 122.013 119.600 -0.017 0.000 2.238 54 M HA 0.636 5.115 4.480 -0.001 0.000 0.350 54 M C -1.673 174.550 176.300 -0.128 0.000 1.138 54 M CA -0.586 54.682 55.300 -0.052 0.000 1.040 54 M CB 1.237 33.867 32.600 0.049 0.000 1.639 54 M HN 0.742 nan 8.290 nan 0.000 0.451 55 L N 3.489 124.476 121.223 -0.392 0.000 2.317 55 L HA 0.594 4.933 4.340 -0.001 0.000 0.281 55 L C -0.492 176.122 176.870 -0.427 0.000 1.024 55 L CA -0.546 54.010 54.840 -0.474 0.000 0.810 55 L CB 2.064 43.632 42.059 -0.817 0.000 1.240 55 L HN 0.711 nan 8.230 nan 0.000 0.427 56 S N 2.280 117.962 115.700 -0.029 0.000 2.536 56 S HA 0.722 5.191 4.470 -0.001 0.000 0.287 56 S C -1.065 173.707 174.600 0.287 0.000 1.101 56 S CA -0.855 57.438 58.200 0.155 0.000 0.950 56 S CB 2.365 65.836 63.200 0.451 0.000 1.056 56 S HN 0.663 nan 8.310 nan 0.000 0.481 57 K N 0.728 121.223 120.400 0.158 0.000 2.579 57 K HA 0.433 4.752 4.320 -0.001 0.000 0.284 57 K C -2.009 174.600 176.600 0.015 0.000 0.990 57 K CA -0.967 55.477 56.287 0.261 0.000 0.880 57 K CB 1.023 33.689 32.500 0.277 0.000 1.488 57 K HN 0.507 nan 8.250 nan 0.000 0.425 58 Y N 1.808 122.121 120.300 0.023 0.000 2.341 58 Y HA 0.239 4.788 4.550 -0.001 0.000 0.340 58 Y C -0.780 175.087 175.900 -0.056 0.000 0.997 58 Y CA -0.565 57.476 58.100 -0.098 0.000 1.149 58 Y CB 1.191 39.655 38.460 0.007 0.000 1.171 58 Y HN 0.687 nan 8.280 nan 0.000 0.494 59 D N 5.669 125.640 120.400 -0.716 0.000 2.380 59 D HA 0.083 4.723 4.640 -0.001 0.000 0.230 59 D C 0.922 176.710 176.300 -0.854 0.000 1.154 59 D CA -0.220 53.441 54.000 -0.564 0.000 0.859 59 D CB 0.859 41.444 40.800 -0.359 0.000 1.045 59 D HN 0.711 nan 8.370 nan 0.000 0.495 60 R N 3.842 124.012 120.500 -0.550 0.000 2.237 60 R HA -0.002 4.337 4.340 -0.001 0.000 0.219 60 R C 1.595 177.782 176.300 -0.188 0.000 1.080 60 R CA 0.843 56.763 56.100 -0.300 0.000 0.995 60 R CB -0.541 29.742 30.300 -0.029 0.000 0.875 60 R HN 0.567 nan 8.270 nan 0.000 0.462 61 L N -0.669 120.439 121.223 -0.192 0.000 2.102 61 L HA 0.013 4.352 4.340 -0.001 0.000 0.202 61 L C 1.702 178.491 176.870 -0.136 0.000 1.076 61 L CA 1.242 56.007 54.840 -0.125 0.000 0.761 61 L CB -0.012 41.986 42.059 -0.101 0.000 0.921 61 L HN 0.155 nan 8.230 nan 0.000 0.444 62 Q N -0.073 119.617 119.800 -0.183 0.000 2.398 62 Q HA -0.034 4.305 4.340 -0.001 0.000 0.204 62 Q C 0.246 176.148 176.000 -0.164 0.000 0.932 62 Q CA 0.603 56.312 55.803 -0.156 0.000 0.916 62 Q CB 0.287 28.930 28.738 -0.158 0.000 1.024 62 Q HN 0.507 nan 8.270 nan 0.000 0.504 63 N N 0.282 118.825 118.700 -0.261 0.000 2.780 63 N HA -0.186 4.553 4.740 -0.001 0.000 0.247 63 N C -1.523 173.918 175.510 -0.115 0.000 1.076 63 N CA 0.572 53.515 53.050 -0.179 0.000 0.688 63 N CB -0.598 37.886 38.487 -0.005 0.000 0.957 63 N HN 0.292 nan 8.380 nan 0.000 0.551 64 K N -0.541 119.685 120.400 -0.289 0.000 2.548 64 K HA 0.488 4.807 4.320 -0.001 0.000 0.282 64 K C -0.693 175.762 176.600 -0.242 0.000 1.006 64 K CA -1.111 55.085 56.287 -0.153 0.000 0.892 64 K CB 0.959 33.378 32.500 -0.136 0.000 1.499 64 K HN -0.078 nan 8.250 nan 0.000 0.433 65 I N 2.143 122.564 120.570 -0.248 0.000 2.371 65 I HA 0.236 4.405 4.170 -0.001 0.000 0.290 65 I C -0.000 175.792 176.117 -0.542 0.000 1.028 65 I CA -0.697 60.297 61.300 -0.509 0.000 1.345 65 I CB 0.969 38.576 38.000 -0.655 0.000 1.407 65 I HN 0.396 nan 8.210 nan 0.000 0.501 66 V N 6.740 126.330 119.914 -0.540 0.000 2.769 66 V HA 0.482 4.602 4.120 -0.001 0.000 0.312 66 V C -0.325 175.471 176.094 -0.496 0.000 1.058 66 V CA -0.647 61.424 62.300 -0.382 0.000 0.952 66 V CB 2.244 34.000 31.823 -0.111 0.000 1.019 66 V HN 0.639 nan 8.190 nan 0.000 0.445 67 H N 4.083 123.222 119.070 0.115 0.000 2.679 67 H HA 0.675 5.230 4.556 -0.001 0.000 0.360 67 H C -1.065 174.396 175.328 0.222 0.000 1.105 67 H CA -0.416 55.681 56.048 0.081 0.000 1.196 67 H CB 1.955 31.707 29.762 -0.018 0.000 1.636 67 H HN 0.617 nan 8.280 nan 0.000 0.531 68 F N -0.796 119.218 119.950 0.106 0.000 2.719 68 F HA 0.481 5.008 4.527 -0.001 0.000 0.309 68 F C -0.598 175.238 175.800 0.061 0.000 1.138 68 F CA -1.191 56.838 58.000 0.049 0.000 0.943 68 F CB 0.762 39.772 39.000 0.017 0.000 1.304 68 F HN 0.371 nan 8.300 nan 0.000 0.445 69 S N 1.375 117.180 115.700 0.175 0.000 2.652 69 S HA 0.976 5.446 4.470 -0.001 0.000 0.270 69 S C -0.457 174.249 174.600 0.178 0.000 1.243 69 S CA 0.072 58.328 58.200 0.093 0.000 0.999 69 S CB 1.473 64.726 63.200 0.088 0.000 0.973 69 S HN 2.030 nan 8.310 nan 0.000 0.544 70 A N 1.117 124.007 122.820 0.116 0.000 2.586 70 A HA 0.588 4.907 4.320 -0.001 0.000 0.291 70 A C -1.446 176.206 177.584 0.113 0.000 1.062 70 A CA -1.048 51.079 52.037 0.151 0.000 0.666 70 A CB 0.713 19.820 19.000 0.179 0.000 1.281 70 A HN 0.763 nan 8.150 nan 0.000 0.421 71 N N 1.351 120.126 118.700 0.125 0.000 2.437 71 N HA 0.355 5.094 4.740 -0.001 0.000 0.243 71 N C 1.127 176.696 175.510 0.098 0.000 1.041 71 N CA 0.553 53.673 53.050 0.117 0.000 0.940 71 N CB 1.669 40.238 38.487 0.136 0.000 1.133 71 N HN 0.813 nan 8.380 nan 0.000 0.506 72 A N 1.659 124.527 122.820 0.080 0.000 2.084 72 A HA -0.198 4.122 4.320 -0.001 0.000 0.221 72 A C 2.211 179.839 177.584 0.072 0.000 1.161 72 A CA 1.284 53.359 52.037 0.063 0.000 0.653 72 A CB -0.611 18.422 19.000 0.056 0.000 0.802 72 A HN 0.868 nan 8.150 nan 0.000 0.457 73 C N -2.521 116.836 119.300 0.096 0.000 2.481 73 C HA 0.384 4.843 4.460 -0.001 0.000 0.275 73 C C 1.755 176.812 174.990 0.112 0.000 1.419 73 C CA 0.523 59.605 59.018 0.107 0.000 1.773 73 C CB -1.316 26.505 27.740 0.135 0.000 1.862 73 C HN 0.441 nan 8.230 nan 0.000 0.530 74 L N 0.574 121.866 121.223 0.115 0.000 2.858 74 L HA 0.396 4.735 4.340 -0.001 0.000 0.251 74 L C 1.223 178.156 176.870 0.105 0.000 1.149 74 L CA 0.132 55.047 54.840 0.125 0.000 0.955 74 L CB -0.150 41.999 42.059 0.151 0.000 1.289 74 L HN 0.202 nan 8.230 nan 0.000 0.542 75 A N 1.516 124.380 122.820 0.073 0.000 2.310 75 A HA 0.567 4.886 4.320 -0.001 0.000 0.300 75 A C -2.467 175.094 177.584 -0.039 0.000 1.269 75 A CA -1.186 50.874 52.037 0.039 0.000 0.909 75 A CB -0.205 18.811 19.000 0.027 0.000 1.144 75 A HN -0.107 nan 8.150 nan 0.000 0.540 76 P HA 0.172 nan 4.420 nan 0.000 0.280 76 P C 1.134 178.196 177.300 -0.396 0.000 1.244 76 P CA -0.413 62.549 63.100 -0.231 0.000 0.784 76 P CB 0.698 32.215 31.700 -0.306 0.000 0.913 77 I N -0.131 120.163 120.570 -0.460 0.000 2.361 77 I HA -0.219 3.950 4.170 -0.001 0.000 0.251 77 I C 1.298 176.974 176.117 -0.735 0.000 1.133 77 I CA 1.425 62.337 61.300 -0.647 0.000 1.413 77 I CB -1.052 36.520 38.000 -0.715 0.000 1.073 77 I HN 0.184 nan 8.210 nan 0.000 0.424 78 C N 1.686 120.455 119.300 -0.885 0.000 2.419 78 C HA -0.092 4.368 4.460 -0.001 0.000 0.283 78 C C 3.127 177.625 174.990 -0.820 0.000 1.373 78 C CA 1.416 59.748 59.018 -1.144 0.000 1.781 78 C CB -1.543 25.237 27.740 -1.600 0.000 1.886 78 C HN 0.797 nan 8.230 nan 0.000 0.520 79 S N -0.283 115.035 115.700 -0.636 0.000 2.575 79 S HA 0.194 4.663 4.470 -0.001 0.000 0.215 79 S C 0.911 175.525 174.600 0.023 0.000 0.966 79 S CA 0.414 58.567 58.200 -0.078 0.000 0.911 79 S CB -0.416 62.866 63.200 0.138 0.000 0.780 79 S HN 0.658 nan 8.310 nan 0.000 0.514 80 L N 1.668 122.808 121.223 -0.138 0.000 2.848 80 L HA 0.381 4.721 4.340 -0.001 0.000 0.240 80 L C 0.404 177.329 176.870 0.091 0.000 1.232 80 L CA -0.558 54.234 54.840 -0.080 0.000 1.031 80 L CB -0.718 41.094 42.059 -0.411 0.000 1.338 80 L HN 0.290 nan 8.230 nan 0.000 0.509 81 H N 0.899 120.083 119.070 0.191 0.000 3.004 81 H HA -0.009 4.546 4.556 -0.001 0.000 0.316 81 H C 0.512 176.105 175.328 0.442 0.000 1.014 81 H CA 0.796 57.042 56.048 0.330 0.000 1.454 81 H CB -0.102 29.932 29.762 0.453 0.000 1.472 81 H HN 0.247 nan 8.280 nan 0.000 0.571 82 H N 1.112 120.179 119.070 -0.005 0.000 2.936 82 H HA -0.160 4.395 4.556 -0.001 0.000 0.276 82 H C -0.692 174.769 175.328 0.221 0.000 1.216 82 H CA 0.183 56.276 56.048 0.075 0.000 1.132 82 H CB -1.357 28.396 29.762 -0.016 0.000 1.303 82 H HN 0.192 nan 8.280 nan 0.000 0.370 83 V N 0.296 120.442 119.914 0.387 0.000 2.630 83 V HA 0.657 4.776 4.120 -0.001 0.000 0.305 83 V C 0.335 176.633 176.094 0.340 0.000 1.046 83 V CA -0.113 62.380 62.300 0.321 0.000 0.934 83 V CB 1.879 33.844 31.823 0.236 0.000 1.003 83 V HN 0.369 nan 8.190 nan 0.000 0.451 84 A N 4.213 127.197 122.820 0.273 0.000 2.273 84 A HA 0.705 5.025 4.320 -0.001 0.000 0.320 84 A C -0.489 177.212 177.584 0.195 0.000 1.358 84 A CA -0.412 51.763 52.037 0.230 0.000 0.910 84 A CB 0.507 19.536 19.000 0.048 0.000 1.159 84 A HN 0.628 nan 8.150 nan 0.000 0.526 85 V N 2.278 122.323 119.914 0.218 0.000 2.649 85 V HA 0.441 4.561 4.120 -0.001 0.000 0.292 85 V C 0.521 176.677 176.094 0.104 0.000 1.055 85 V CA 0.096 62.479 62.300 0.139 0.000 1.023 85 V CB 1.461 33.388 31.823 0.174 0.000 0.992 85 V HN 0.833 nan 8.190 nan 0.000 0.480 86 T N 2.990 117.575 114.554 0.052 0.000 2.906 86 T HA 0.465 4.814 4.350 -0.001 0.000 0.302 86 T C 0.045 174.728 174.700 -0.028 0.000 1.002 86 T CA -0.496 61.612 62.100 0.013 0.000 0.988 86 T CB 1.238 70.113 68.868 0.012 0.000 0.972 86 T HN 0.973 nan 8.240 nan 0.000 0.447 87 T N -0.252 114.281 114.554 -0.035 0.000 2.912 87 T HA 0.446 4.795 4.350 -0.001 0.000 0.280 87 T C 1.659 176.298 174.700 -0.102 0.000 0.989 87 T CA -0.647 61.426 62.100 -0.046 0.000 0.995 87 T CB 1.312 70.171 68.868 -0.015 0.000 1.077 87 T HN 0.191 nan 8.240 nan 0.000 0.531 88 V N 1.527 121.385 119.914 -0.093 0.000 2.317 88 V HA -0.214 3.905 4.120 -0.001 0.000 0.251 88 V C 2.609 178.637 176.094 -0.110 0.000 1.065 88 V CA 2.676 64.907 62.300 -0.115 0.000 1.049 88 V CB -1.013 30.770 31.823 -0.066 0.000 0.651 88 V HN 1.010 nan 8.190 nan 0.000 0.450 89 E N -0.046 120.112 120.200 -0.070 0.000 2.472 89 E HA -0.059 4.290 4.350 -0.001 0.000 0.200 89 E C 1.994 178.557 176.600 -0.062 0.000 1.046 89 E CA 1.156 57.524 56.400 -0.053 0.000 0.871 89 E CB -0.601 29.080 29.700 -0.032 0.000 0.806 89 E HN 0.661 nan 8.360 nan 0.000 0.533 90 G N 2.138 110.883 108.800 -0.091 0.000 2.683 90 G HA2 0.015 3.975 3.960 -0.001 0.000 0.213 90 G HA3 0.015 3.975 3.960 -0.001 0.000 0.213 90 G C 1.654 176.479 174.900 -0.126 0.000 1.142 90 G CA 0.421 45.469 45.100 -0.086 0.000 0.793 90 G HN 0.434 nan 8.290 nan 0.000 0.534 91 I N -3.153 117.286 120.570 -0.218 0.000 3.854 91 I HA 0.559 4.729 4.170 -0.001 0.000 0.312 91 I C 0.771 176.858 176.117 -0.050 0.000 1.273 91 I CA 0.296 61.445 61.300 -0.252 0.000 1.298 91 I CB 0.632 38.191 38.000 -0.735 0.000 1.071 91 I HN 0.076 nan 8.210 nan 0.000 0.428 92 G N 0.697 109.474 108.800 -0.038 0.000 2.316 92 G HA2 0.468 4.427 3.960 -0.001 0.000 0.296 92 G HA3 0.468 4.427 3.960 -0.001 0.000 0.296 92 G C -1.302 173.602 174.900 0.007 0.000 1.399 92 G CA 0.043 45.156 45.100 0.021 0.000 0.833 92 G HN 0.585 nan 8.290 nan 0.000 0.565 93 S N -2.459 113.253 115.700 0.020 0.000 2.627 93 S HA 0.593 5.062 4.470 -0.001 0.000 0.268 93 S C 0.878 175.490 174.600 0.020 0.000 1.130 93 S CA 0.917 59.126 58.200 0.014 0.000 0.819 93 S CB 0.972 64.174 63.200 0.003 0.000 1.100 93 S HN 2.194 nan 8.310 nan 0.000 0.465 94 T N -1.166 113.400 114.554 0.020 0.000 3.072 94 T HA 0.132 4.482 4.350 -0.001 0.000 0.266 94 T C 1.064 175.772 174.700 0.014 0.000 1.127 94 T CA 0.821 62.934 62.100 0.021 0.000 1.107 94 T CB -0.533 68.351 68.868 0.026 0.000 0.910 94 T HN 0.634 nan 8.240 nan 0.000 0.513 95 K N 1.020 121.425 120.400 0.008 0.000 2.487 95 K HA 0.081 4.400 4.320 -0.001 0.000 0.192 95 K C 1.749 178.352 176.600 0.004 0.000 1.027 95 K CA 1.120 57.409 56.287 0.002 0.000 1.054 95 K CB 0.196 32.694 32.500 -0.003 0.000 0.824 95 K HN 0.732 nan 8.250 nan 0.000 0.510 96 T N -3.375 111.185 114.554 0.010 0.000 3.471 96 T HA 0.151 4.500 4.350 -0.001 0.000 0.165 96 T C -0.410 174.301 174.700 0.018 0.000 0.879 96 T CA -0.660 61.447 62.100 0.012 0.000 0.931 96 T CB 0.375 69.250 68.868 0.012 0.000 1.172 96 T HN 0.018 nan 8.240 nan 0.000 0.290 97 R N 0.482 120.996 120.500 0.024 0.000 2.515 97 R HA 0.604 4.943 4.340 -0.001 0.000 0.278 97 R C -1.713 174.611 176.300 0.041 0.000 1.107 97 R CA -0.702 55.415 56.100 0.029 0.000 0.945 97 R CB 1.504 31.820 30.300 0.027 0.000 1.219 97 R HN 0.443 nan 8.270 nan 0.000 0.434 98 L N 4.000 125.251 121.223 0.045 0.000 2.426 98 L HA 0.235 4.574 4.340 -0.001 0.000 0.271 98 L C 0.820 177.745 176.870 0.092 0.000 1.169 98 L CA -0.392 54.487 54.840 0.066 0.000 0.836 98 L CB 0.624 42.717 42.059 0.058 0.000 1.112 98 L HN 0.550 nan 8.230 nan 0.000 0.465 99 H N 4.723 123.814 119.070 0.036 0.000 2.690 99 H HA 0.086 4.641 4.556 -0.001 0.000 0.365 99 H C -1.918 173.473 175.328 0.105 0.000 1.142 99 H CA -1.521 54.569 56.048 0.070 0.000 1.417 99 H CB 1.745 31.542 29.762 0.060 0.000 1.446 99 H HN 0.338 nan 8.280 nan 0.000 0.599 100 P HA -0.198 nan 4.420 nan 0.000 0.217 100 P C 1.660 179.205 177.300 0.408 0.000 1.151 100 P CA 1.129 64.289 63.100 0.101 0.000 0.849 100 P CB 0.281 32.030 31.700 0.082 0.000 0.787 101 V N -0.698 119.638 119.914 0.704 0.000 2.358 101 V HA -0.266 3.854 4.120 -0.001 0.000 0.246 101 V C 2.391 178.727 176.094 0.403 0.000 1.047 101 V CA 1.847 64.472 62.300 0.542 0.000 1.035 101 V CB -1.185 30.789 31.823 0.252 0.000 0.658 101 V HN 0.191 nan 8.190 nan 0.000 0.452 102 Q N -0.357 119.612 119.800 0.282 0.000 2.119 102 Q HA -0.216 4.124 4.340 -0.001 0.000 0.201 102 Q C 2.331 178.379 176.000 0.080 0.000 0.972 102 Q CA 1.690 57.586 55.803 0.156 0.000 0.847 102 Q CB -0.172 28.633 28.738 0.111 0.000 0.903 102 Q HN 0.735 nan 8.270 nan 0.000 0.433 103 E N 1.318 121.553 120.200 0.059 0.000 2.031 103 E HA -0.223 4.126 4.350 -0.001 0.000 0.193 103 E C 1.987 178.460 176.600 -0.211 0.000 0.994 103 E CA 1.014 57.388 56.400 -0.044 0.000 0.800 103 E CB 0.106 29.782 29.700 -0.039 0.000 0.752 103 E HN 0.248 nan 8.360 nan 0.000 0.447 104 R N 0.321 120.599 120.500 -0.369 0.000 2.081 104 R HA -0.075 4.264 4.340 -0.001 0.000 0.235 104 R C 2.625 178.653 176.300 -0.455 0.000 1.131 104 R CA 1.357 56.988 56.100 -0.782 0.000 0.960 104 R CB -0.503 29.295 30.300 -0.837 0.000 0.856 104 R HN 0.347 nan 8.270 nan 0.000 0.436 105 I N 0.606 121.040 120.570 -0.227 0.000 2.756 105 I HA -0.174 3.996 4.170 -0.001 0.000 0.262 105 I C 1.966 177.942 176.117 -0.235 0.000 1.225 105 I CA 0.702 61.806 61.300 -0.326 0.000 1.472 105 I CB 0.030 37.905 38.000 -0.208 0.000 1.094 105 I HN 0.158 nan 8.210 nan 0.000 0.454 106 A N 0.611 123.326 122.820 -0.175 0.000 1.871 106 A HA -0.080 4.240 4.320 -0.001 0.000 0.211 106 A C 2.238 179.707 177.584 -0.192 0.000 1.207 106 A CA 0.852 52.814 52.037 -0.125 0.000 0.620 106 A CB -0.322 18.646 19.000 -0.053 0.000 0.860 106 A HN 0.302 nan 8.150 nan 0.000 0.450 107 K N 0.512 120.786 120.400 -0.210 0.000 2.283 107 K HA 0.011 4.331 4.320 -0.001 0.000 0.202 107 K C 1.664 177.925 176.600 -0.565 0.000 1.048 107 K CA 1.146 57.296 56.287 -0.228 0.000 0.948 107 K CB -0.054 32.492 32.500 0.078 0.000 0.742 107 K HN 0.356 nan 8.250 nan 0.000 0.458 108 S N -0.022 115.271 115.700 -0.678 0.000 2.561 108 S HA -0.026 4.443 4.470 -0.001 0.000 0.225 108 S C -0.261 174.026 174.600 -0.522 0.000 0.977 108 S CA 0.127 57.676 58.200 -1.085 0.000 0.926 108 S CB -0.165 62.493 63.200 -0.904 0.000 0.769 108 S HN 0.322 nan 8.310 nan 0.000 0.533 109 H N -1.366 117.601 119.070 -0.171 0.000 2.941 109 H HA -0.133 4.422 4.556 -0.001 0.000 0.279 109 H C 1.067 176.341 175.328 -0.090 0.000 1.247 109 H CA 0.651 56.659 56.048 -0.067 0.000 1.129 109 H CB -1.785 27.973 29.762 -0.008 0.000 1.313 109 H HN 0.488 nan 8.280 nan 0.000 0.384 110 G N -0.273 108.466 108.800 -0.103 0.000 3.141 110 G HA2 0.199 4.158 3.960 -0.001 0.000 0.218 110 G HA3 0.199 4.158 3.960 -0.001 0.000 0.218 110 G C 0.431 175.278 174.900 -0.088 0.000 1.170 110 G CA 0.757 45.786 45.100 -0.119 0.000 0.769 110 G HN 0.352 nan 8.290 nan 0.000 0.546 111 S N -0.714 114.951 115.700 -0.060 0.000 2.756 111 S HA 0.451 4.920 4.470 -0.001 0.000 0.303 111 S C 0.426 174.975 174.600 -0.084 0.000 1.135 111 S CA -0.619 57.544 58.200 -0.061 0.000 1.066 111 S CB 1.619 64.780 63.200 -0.064 0.000 1.008 111 S HN 0.317 nan 8.310 nan 0.000 0.482 112 Q N 1.792 121.554 119.800 -0.064 0.000 2.339 112 Q HA 0.068 4.407 4.340 -0.001 0.000 0.193 112 Q C 2.268 178.188 176.000 -0.135 0.000 0.998 112 Q CA 1.127 56.889 55.803 -0.068 0.000 0.847 112 Q CB -0.383 28.369 28.738 0.024 0.000 0.988 112 Q HN 0.976 nan 8.270 nan 0.000 0.558 113 C N -0.596 118.701 119.300 -0.005 0.000 2.468 113 C HA 0.370 4.829 4.460 -0.001 0.000 0.277 113 C C 1.712 176.795 174.990 0.154 0.000 1.400 113 C CA 0.286 59.341 59.018 0.061 0.000 1.770 113 C CB -0.996 26.792 27.740 0.081 0.000 1.905 113 C HN 0.844 nan 8.230 nan 0.000 0.519 114 G N -0.330 108.526 108.800 0.094 0.000 2.168 114 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.263 114 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.263 114 G C 0.350 175.342 174.900 0.155 0.000 0.977 114 G CA 0.536 45.712 45.100 0.126 0.000 0.659 114 G HN 0.606 nan 8.290 nan 0.000 0.533 115 F N 0.893 120.802 119.950 -0.069 0.000 2.325 115 F HA 0.036 4.562 4.527 -0.001 0.000 0.299 115 F C 2.737 178.477 175.800 -0.100 0.000 1.090 115 F CA 2.102 59.931 58.000 -0.285 0.000 1.392 115 F CB -0.144 38.636 39.000 -0.367 0.000 1.053 115 F HN 0.567 nan 8.300 nan 0.000 0.521 116 C N -2.165 117.179 119.300 0.074 0.000 2.590 116 C HA 0.099 4.559 4.460 -0.001 0.000 0.272 116 C C 2.499 177.512 174.990 0.037 0.000 1.338 116 C CA 0.653 59.714 59.018 0.071 0.000 1.746 116 C CB -1.234 26.594 27.740 0.147 0.000 2.020 116 C HN 0.350 nan 8.230 nan 0.000 0.531 117 T N 3.189 117.759 114.554 0.028 0.000 2.649 117 T HA -0.147 4.202 4.350 -0.001 0.000 0.268 117 T C -0.346 174.377 174.700 0.038 0.000 1.036 117 T CA 2.799 64.921 62.100 0.037 0.000 1.157 117 T CB -1.613 67.272 68.868 0.028 0.000 0.861 117 T HN 0.455 nan 8.240 nan 0.000 0.445 118 P HA -0.056 nan 4.420 nan 0.000 0.216 118 P C 1.733 179.042 177.300 0.015 0.000 1.150 118 P CA 1.337 64.428 63.100 -0.015 0.000 0.837 118 P CB -0.482 31.175 31.700 -0.071 0.000 0.786 119 G N -0.434 108.382 108.800 0.026 0.000 2.394 119 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.215 119 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.215 119 G C 1.435 176.423 174.900 0.146 0.000 1.165 119 G CA 0.339 45.486 45.100 0.078 0.000 0.784 119 G HN 0.128 nan 8.290 nan 0.000 0.535 120 I N 1.009 121.673 120.570 0.157 0.000 2.226 120 I HA -0.114 4.055 4.170 -0.001 0.000 0.245 120 I C 2.947 179.232 176.117 0.280 0.000 1.100 120 I CA 0.722 62.138 61.300 0.193 0.000 1.374 120 I CB -1.142 36.924 38.000 0.110 0.000 1.057 120 I HN 0.015 nan 8.210 nan 0.000 0.413 121 V N 0.746 120.787 119.914 0.212 0.000 2.282 121 V HA -0.312 3.807 4.120 -0.001 0.000 0.249 121 V C 2.666 178.833 176.094 0.123 0.000 1.057 121 V CA 1.653 64.068 62.300 0.192 0.000 1.032 121 V CB -0.518 31.369 31.823 0.106 0.000 0.645 121 V HN 0.321 nan 8.190 nan 0.000 0.447 122 M N -0.692 118.962 119.600 0.090 0.000 2.229 122 M HA -0.087 4.393 4.480 -0.001 0.000 0.264 122 M C 2.347 178.716 176.300 0.115 0.000 1.063 122 M CA 1.433 56.777 55.300 0.072 0.000 1.114 122 M CB -1.462 31.160 32.600 0.037 0.000 1.387 122 M HN 0.324 nan 8.290 nan 0.000 0.420 123 S N 0.287 116.088 115.700 0.169 0.000 2.387 123 S HA -0.076 4.393 4.470 -0.001 0.000 0.226 123 S C 1.809 176.414 174.600 0.007 0.000 1.026 123 S CA 1.032 59.315 58.200 0.139 0.000 0.972 123 S CB -0.133 63.248 63.200 0.302 0.000 0.814 123 S HN 0.416 nan 8.310 nan 0.000 0.477 124 M N 0.331 119.980 119.600 0.081 0.000 2.156 124 M HA 0.011 4.491 4.480 -0.001 0.000 0.264 124 M C 1.723 177.849 176.300 -0.290 0.000 1.067 124 M CA 1.416 56.581 55.300 -0.226 0.000 1.131 124 M CB -0.686 31.631 32.600 -0.470 0.000 1.368 124 M HN 0.350 nan 8.290 nan 0.000 0.416 125 Y N 0.415 120.540 120.300 -0.292 0.000 2.165 125 Y HA -0.239 4.311 4.550 -0.001 0.000 0.286 125 Y C 2.021 177.759 175.900 -0.270 0.000 1.155 125 Y CA 2.528 60.426 58.100 -0.336 0.000 1.164 125 Y CB -0.786 37.481 38.460 -0.322 0.000 0.978 125 Y HN 0.297 nan 8.280 nan 0.000 0.513 126 T N 1.180 115.656 114.554 -0.129 0.000 2.737 126 T HA -0.186 4.164 4.350 -0.001 0.000 0.265 126 T C 1.781 176.347 174.700 -0.223 0.000 1.038 126 T CA 1.343 63.347 62.100 -0.160 0.000 1.144 126 T CB -0.715 68.137 68.868 -0.026 0.000 0.866 126 T HN 0.328 nan 8.240 nan 0.000 0.434 127 L N 1.513 122.594 121.223 -0.236 0.000 1.956 127 L HA -0.061 4.278 4.340 -0.001 0.000 0.216 127 L C 2.192 178.896 176.870 -0.276 0.000 1.073 127 L CA 1.747 56.437 54.840 -0.250 0.000 0.762 127 L CB -1.041 40.829 42.059 -0.314 0.000 0.889 127 L HN 0.245 nan 8.230 nan 0.000 0.433 128 L N -0.836 120.164 121.223 -0.371 0.000 2.197 128 L HA -0.265 4.074 4.340 -0.001 0.000 0.215 128 L C 2.715 179.381 176.870 -0.341 0.000 1.095 128 L CA 1.279 55.891 54.840 -0.381 0.000 0.764 128 L CB -0.503 41.243 42.059 -0.521 0.000 0.897 128 L HN 0.313 nan 8.230 nan 0.000 0.436 129 R N 0.152 120.409 120.500 -0.404 0.000 2.115 129 R HA -0.050 4.290 4.340 -0.001 0.000 0.226 129 R C 1.881 178.072 176.300 -0.181 0.000 1.100 129 R CA 1.153 57.035 56.100 -0.363 0.000 0.980 129 R CB -0.167 29.843 30.300 -0.485 0.000 0.875 129 R HN 0.395 nan 8.270 nan 0.000 0.445 130 N N -0.709 117.911 118.700 -0.133 0.000 2.388 130 N HA -0.036 4.703 4.740 -0.001 0.000 0.176 130 N C -0.319 175.144 175.510 -0.079 0.000 1.062 130 N CA 0.302 53.313 53.050 -0.065 0.000 0.895 130 N CB 0.516 38.979 38.487 -0.040 0.000 1.018 130 N HN 0.059 nan 8.380 nan 0.000 0.456 131 Q N 1.160 120.893 119.800 -0.112 0.000 2.695 131 Q HA 0.287 4.627 4.340 -0.001 0.000 0.246 131 Q C -2.296 173.641 176.000 -0.105 0.000 0.961 131 Q CA -1.733 54.014 55.803 -0.094 0.000 0.708 131 Q CB 1.846 30.527 28.738 -0.095 0.000 1.282 131 Q HN -0.096 nan 8.270 nan 0.000 0.482 132 P HA -0.162 nan 4.420 nan 0.000 0.221 132 P C -0.349 176.937 177.300 -0.023 0.000 1.145 132 P CA 1.059 64.120 63.100 -0.065 0.000 0.795 132 P CB 0.480 32.157 31.700 -0.038 0.000 0.775 133 E N -0.032 120.162 120.200 -0.011 0.000 3.352 133 E HA 0.243 4.592 4.350 -0.001 0.000 0.254 133 E C -2.552 174.057 176.600 0.016 0.000 1.229 133 E CA -2.315 54.103 56.400 0.030 0.000 0.949 133 E CB 1.189 30.914 29.700 0.042 0.000 1.373 133 E HN 0.092 nan 8.360 nan 0.000 0.392 134 P HA 0.020 nan 4.420 nan 0.000 0.273 134 P C 0.027 177.339 177.300 0.020 0.000 1.250 134 P CA -0.128 62.962 63.100 -0.017 0.000 0.793 134 P CB 0.919 32.580 31.700 -0.065 0.000 1.011 135 T N -2.353 112.206 114.554 0.008 0.000 2.899 135 T HA 0.285 4.635 4.350 -0.001 0.000 0.284 135 T C 1.733 176.459 174.700 0.045 0.000 1.004 135 T CA -0.717 61.402 62.100 0.031 0.000 1.043 135 T CB 0.251 69.131 68.868 0.019 0.000 1.013 135 T HN 0.270 nan 8.240 nan 0.000 0.518 136 M N 0.264 119.910 119.600 0.077 0.000 2.106 136 M HA -0.143 4.336 4.480 -0.001 0.000 0.259 136 M C 2.442 178.789 176.300 0.078 0.000 1.068 136 M CA 2.226 57.591 55.300 0.107 0.000 1.100 136 M CB -0.645 32.031 32.600 0.126 0.000 1.351 136 M HN 0.952 nan 8.290 nan 0.000 0.404 137 E N 0.930 121.162 120.200 0.054 0.000 2.058 137 E HA -0.233 4.117 4.350 -0.001 0.000 0.194 137 E C 1.702 178.289 176.600 -0.022 0.000 0.997 137 E CA 1.706 58.126 56.400 0.033 0.000 0.801 137 E CB 0.015 29.732 29.700 0.027 0.000 0.746 137 E HN 0.536 nan 8.360 nan 0.000 0.450 138 E N 0.209 120.382 120.200 -0.045 0.000 2.110 138 E HA -0.175 4.175 4.350 -0.001 0.000 0.193 138 E C 2.214 178.709 176.600 -0.175 0.000 0.988 138 E CA 1.239 57.577 56.400 -0.104 0.000 0.804 138 E CB -0.116 29.528 29.700 -0.094 0.000 0.745 138 E HN 0.421 nan 8.360 nan 0.000 0.458 139 I N 1.065 121.560 120.570 -0.126 0.000 2.226 139 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 139 I C 2.617 178.545 176.117 -0.314 0.000 1.100 139 I CA 1.224 62.408 61.300 -0.194 0.000 1.374 139 I CB -0.199 37.827 38.000 0.042 0.000 1.057 139 I HN 0.148 nan 8.210 nan 0.000 0.413 140 E N 0.945 121.087 120.200 -0.098 0.000 2.150 140 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 140 E C 1.814 178.305 176.600 -0.182 0.000 0.985 140 E CA 0.820 57.191 56.400 -0.047 0.000 0.814 140 E CB 0.111 29.868 29.700 0.096 0.000 0.752 140 E HN 0.435 nan 8.360 nan 0.000 0.466 141 N N 0.303 118.883 118.700 -0.201 0.000 2.396 141 N HA -0.084 4.656 4.740 -0.001 0.000 0.180 141 N C 1.427 176.770 175.510 -0.278 0.000 1.028 141 N CA 0.924 53.859 53.050 -0.192 0.000 0.893 141 N CB 0.008 38.396 38.487 -0.166 0.000 0.967 141 N HN 0.164 nan 8.380 nan 0.000 0.440 142 A N -0.332 122.186 122.820 -0.505 0.000 2.209 142 A HA 0.005 4.324 4.320 -0.001 0.000 0.212 142 A C 0.767 178.021 177.584 -0.551 0.000 1.158 142 A CA 0.642 52.335 52.037 -0.573 0.000 0.742 142 A CB -0.372 18.164 19.000 -0.774 0.000 0.790 142 A HN 0.134 nan 8.150 nan 0.000 0.472 143 F N -0.697 119.124 119.950 -0.215 0.000 2.661 143 F HA 0.196 4.723 4.527 -0.001 0.000 0.306 143 F C 1.837 177.583 175.800 -0.091 0.000 1.094 143 F CA -0.610 57.226 58.000 -0.272 0.000 1.254 143 F CB -0.526 37.906 39.000 -0.947 0.000 1.040 143 F HN 0.225 nan 8.300 nan 0.000 0.562 144 Q N 0.430 120.272 119.800 0.070 0.000 2.197 144 Q HA -0.132 4.207 4.340 -0.001 0.000 0.207 144 Q C 2.015 178.108 176.000 0.156 0.000 0.984 144 Q CA 1.501 57.370 55.803 0.110 0.000 0.869 144 Q CB -0.378 28.398 28.738 0.062 0.000 0.906 144 Q HN 0.483 nan 8.270 nan 0.000 0.426 145 G N -0.141 108.757 108.800 0.162 0.000 3.609 145 G HA2 0.140 4.099 3.960 -0.001 0.000 0.280 145 G HA3 0.140 4.099 3.960 -0.001 0.000 0.280 145 G C -0.575 174.465 174.900 0.234 0.000 1.155 145 G CA -0.345 44.863 45.100 0.180 0.000 0.876 145 G HN 0.109 nan 8.290 nan 0.000 0.535 146 N N -0.191 118.697 118.700 0.313 0.000 2.258 146 N HA 0.654 5.393 4.740 -0.001 0.000 0.299 146 N C -0.974 174.814 175.510 0.464 0.000 1.047 146 N CA -0.460 52.819 53.050 0.382 0.000 0.814 146 N CB 2.517 41.267 38.487 0.439 0.000 1.413 146 N HN -0.056 nan 8.380 nan 0.000 0.478 147 L N 0.931 122.380 121.223 0.377 0.000 2.362 147 L HA 0.711 5.050 4.340 -0.001 0.000 0.271 147 L C -0.881 176.158 176.870 0.281 0.000 1.002 147 L CA -0.970 54.082 54.840 0.354 0.000 0.818 147 L CB 1.886 44.081 42.059 0.226 0.000 1.298 147 L HN 0.532 nan 8.230 nan 0.000 0.420 148 C N 2.172 121.552 119.300 0.134 0.000 2.535 148 C HA 0.543 5.002 4.460 -0.001 0.000 0.319 148 C C 0.750 175.596 174.990 -0.239 0.000 1.171 148 C CA -0.499 58.448 59.018 -0.119 0.000 1.394 148 C CB 1.809 29.316 27.740 -0.389 0.000 1.990 148 C HN 0.984 nan 8.230 nan 0.000 0.466 149 R N 2.431 122.907 120.500 -0.040 0.000 2.365 149 R HA 0.319 4.659 4.340 -0.001 0.000 0.223 149 R C 1.184 177.476 176.300 -0.014 0.000 0.899 149 R CA 1.230 57.301 56.100 -0.048 0.000 1.059 149 R CB -0.612 29.738 30.300 0.082 0.000 1.086 149 R HN 0.873 nan 8.270 nan 0.000 0.522 150 C N -1.570 117.767 119.300 0.060 0.000 2.543 150 C HA 0.137 4.596 4.460 -0.001 0.000 0.289 150 C C 2.403 177.393 174.990 0.000 0.000 1.368 150 C CA 0.781 59.881 59.018 0.136 0.000 1.778 150 C CB -0.217 27.619 27.740 0.159 0.000 2.155 150 C HN 0.619 nan 8.230 nan 0.000 0.529 151 T N -1.326 113.159 114.554 -0.116 0.000 2.951 151 T HA 0.217 4.567 4.350 -0.001 0.000 0.268 151 T C 1.649 176.284 174.700 -0.107 0.000 1.073 151 T CA 1.767 63.798 62.100 -0.115 0.000 1.134 151 T CB -0.537 68.244 68.868 -0.145 0.000 0.884 151 T HN 1.160 nan 8.240 nan 0.000 0.479 152 G N 0.322 108.972 108.800 -0.249 0.000 2.143 152 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.249 152 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.249 152 G C 0.582 175.500 174.900 0.030 0.000 0.981 152 G CA 0.374 45.444 45.100 -0.049 0.000 0.665 152 G HN 0.607 nan 8.290 nan 0.000 0.528 153 Y N -2.211 118.015 120.300 -0.124 0.000 3.062 153 Y HA -0.394 4.156 4.550 -0.001 0.000 0.481 153 Y C 2.297 178.216 175.900 0.032 0.000 1.129 153 Y CA 2.734 60.693 58.100 -0.235 0.000 2.748 153 Y CB -1.578 36.597 38.460 -0.474 0.000 0.834 153 Y HN 0.531 nan 8.280 nan 0.000 0.534 154 R N 1.285 121.956 120.500 0.286 0.000 2.136 154 R HA -0.204 4.135 4.340 -0.001 0.000 0.242 154 R C -0.816 175.619 176.300 0.224 0.000 1.131 154 R CA 2.777 59.057 56.100 0.301 0.000 0.937 154 R CB -1.498 29.016 30.300 0.357 0.000 0.863 154 R HN 0.403 nan 8.270 nan 0.000 0.435 155 P HA -0.169 nan 4.420 nan 0.000 0.216 155 P C 1.691 178.994 177.300 0.004 0.000 1.150 155 P CA 1.581 64.745 63.100 0.108 0.000 0.843 155 P CB -0.259 31.486 31.700 0.074 0.000 0.787 156 I N -0.730 119.835 120.570 -0.008 0.000 2.179 156 I HA -0.210 3.959 4.170 -0.001 0.000 0.242 156 I C 2.725 178.812 176.117 -0.050 0.000 1.088 156 I CA 1.266 62.474 61.300 -0.154 0.000 1.357 156 I CB -0.692 37.314 38.000 0.009 0.000 1.051 156 I HN -0.141 nan 8.210 nan 0.000 0.409 157 L N 0.086 121.464 121.223 0.258 0.000 2.141 157 L HA -0.211 4.128 4.340 -0.001 0.000 0.209 157 L C 2.663 179.722 176.870 0.316 0.000 1.094 157 L CA 1.198 56.266 54.840 0.380 0.000 0.763 157 L CB -0.502 41.816 42.059 0.431 0.000 0.908 157 L HN 0.327 nan 8.230 nan 0.000 0.437 158 Q N 0.174 120.133 119.800 0.265 0.000 2.079 158 Q HA -0.137 4.202 4.340 -0.001 0.000 0.200 158 Q C 2.157 178.364 176.000 0.344 0.000 0.974 158 Q CA 1.772 57.763 55.803 0.313 0.000 0.840 158 Q CB -0.196 28.756 28.738 0.357 0.000 0.898 158 Q HN 0.431 nan 8.270 nan 0.000 0.430 159 G N -0.641 108.257 108.800 0.163 0.000 2.422 159 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.218 159 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.218 159 G C 0.862 175.899 174.900 0.227 0.000 1.140 159 G CA 0.316 45.456 45.100 0.066 0.000 0.775 159 G HN 0.336 nan 8.290 nan 0.000 0.545 160 F N 0.596 120.683 119.950 0.228 0.000 2.558 160 F HA 0.241 4.767 4.527 -0.001 0.000 0.298 160 F C 2.434 178.416 175.800 0.302 0.000 1.119 160 F CA -0.228 57.973 58.000 0.335 0.000 1.451 160 F CB -0.347 38.901 39.000 0.413 0.000 1.091 160 F HN 0.093 nan 8.300 nan 0.000 0.563 161 R N 0.578 121.334 120.500 0.428 0.000 2.159 161 R HA -0.176 4.163 4.340 -0.001 0.000 0.237 161 R C 2.150 178.597 176.300 0.246 0.000 1.131 161 R CA 1.877 58.164 56.100 0.312 0.000 0.982 161 R CB -0.368 30.090 30.300 0.265 0.000 0.868 161 R HN 0.373 nan 8.270 nan 0.000 0.453 162 T N -2.239 112.443 114.554 0.214 0.000 2.881 162 T HA -0.126 4.224 4.350 -0.001 0.000 0.270 162 T C 1.457 176.163 174.700 0.009 0.000 1.068 162 T CA 1.031 63.186 62.100 0.091 0.000 1.131 162 T CB -0.305 68.609 68.868 0.077 0.000 0.871 162 T HN 0.155 nan 8.240 nan 0.000 0.479 163 F N 2.386 122.452 119.950 0.194 0.000 2.416 163 F HA 0.524 5.050 4.527 -0.001 0.000 0.296 163 F C 1.927 177.775 175.800 0.080 0.000 1.099 163 F CA -0.674 57.393 58.000 0.112 0.000 1.427 163 F CB -0.871 38.164 39.000 0.057 0.000 1.079 163 F HN 0.234 nan 8.300 nan 0.000 0.536 164 A N 0.802 123.784 122.820 0.270 0.000 2.531 164 A HA 0.018 4.337 4.320 -0.001 0.000 0.236 164 A C 1.750 179.410 177.584 0.126 0.000 1.062 164 A CA -0.263 51.878 52.037 0.173 0.000 0.760 164 A CB -0.021 19.076 19.000 0.163 0.000 0.995 164 A HN 0.399 nan 8.150 nan 0.000 0.501 165 R N 1.094 121.649 120.500 0.092 0.000 2.323 165 R HA -0.065 4.274 4.340 -0.001 0.000 0.198 165 R C -0.270 176.069 176.300 0.066 0.000 0.988 165 R CA 0.855 56.996 56.100 0.068 0.000 1.041 165 R CB -0.174 30.154 30.300 0.047 0.000 0.926 165 R HN 0.867 nan 8.270 nan 0.000 0.476 166 D N -0.125 120.324 120.400 0.081 0.000 2.737 166 D HA -0.129 4.511 4.640 -0.001 0.000 0.238 166 D C -0.570 175.767 176.300 0.063 0.000 1.157 166 D CA 1.204 55.253 54.000 0.081 0.000 0.694 166 D CB -1.049 39.798 40.800 0.078 0.000 1.021 166 D HN 0.543 nan 8.370 nan 0.000 0.420 193 P HA 0.547 nan 4.420 nan 0.000 0.275 193 P C -0.466 176.628 177.300 -0.343 0.000 1.266 193 P CA -0.261 62.569 63.100 -0.451 0.000 0.793 193 P CB 0.770 32.223 31.700 -0.412 0.000 1.074 194 S N -0.379 115.326 115.700 0.007 0.000 2.549 194 S HA 0.284 4.753 4.470 -0.001 0.000 0.297 194 S C 1.483 176.292 174.600 0.348 0.000 1.115 194 S CA -0.720 57.569 58.200 0.148 0.000 1.059 194 S CB 1.116 64.279 63.200 -0.062 0.000 1.046 194 S HN 0.349 nan 8.310 nan 0.000 0.506 195 L N 1.131 122.514 121.223 0.266 0.000 2.141 195 L HA 0.059 4.399 4.340 -0.001 0.000 0.209 195 L C 0.293 177.453 176.870 0.483 0.000 1.094 195 L CA 1.301 56.305 54.840 0.272 0.000 0.763 195 L CB -0.252 41.982 42.059 0.292 0.000 0.908 195 L HN 0.702 nan 8.230 nan 0.000 0.437 196 F N -2.682 117.374 119.950 0.176 0.000 2.869 196 F HA 0.578 5.104 4.527 -0.001 0.000 0.325 196 F C -1.090 174.695 175.800 -0.024 0.000 1.184 196 F CA -1.672 56.373 58.000 0.075 0.000 0.951 196 F CB 1.210 40.227 39.000 0.029 0.000 1.421 196 F HN -0.408 nan 8.300 nan 0.000 0.501 197 K N 0.728 121.181 120.400 0.088 0.000 2.664 197 K HA 0.327 4.647 4.320 -0.001 0.000 0.234 197 K C -2.681 173.667 176.600 -0.421 0.000 0.980 197 K CA -1.500 54.694 56.287 -0.155 0.000 0.996 197 K CB 2.039 34.483 32.500 -0.094 0.000 1.190 197 K HN 0.214 nan 8.250 nan 0.000 0.479 198 P HA -0.209 nan 4.420 nan 0.000 0.218 198 P C 0.288 177.249 177.300 -0.565 0.000 1.148 198 P CA 1.201 63.746 63.100 -0.925 0.000 0.822 198 P CB 0.305 31.848 31.700 -0.261 0.000 0.784 199 E N 0.102 120.125 120.200 -0.295 0.000 2.209 199 E HA -0.203 4.146 4.350 -0.001 0.000 0.196 199 E C 1.584 178.111 176.600 -0.120 0.000 0.993 199 E CA 1.059 57.369 56.400 -0.150 0.000 0.819 199 E CB -0.745 28.893 29.700 -0.104 0.000 0.745 199 E HN 0.470 nan 8.360 nan 0.000 0.477 200 E N -0.040 120.051 120.200 -0.181 0.000 2.442 200 E HA 0.016 4.365 4.350 -0.001 0.000 0.195 200 E C -0.284 176.362 176.600 0.078 0.000 1.030 200 E CA -0.302 56.064 56.400 -0.056 0.000 0.869 200 E CB 0.120 29.799 29.700 -0.035 0.000 0.857 200 E HN 0.134 nan 8.360 nan 0.000 0.505 201 F N 2.149 122.115 119.950 0.026 0.000 2.563 201 F HA -0.029 4.498 4.527 -0.001 0.000 0.363 201 F C 1.472 177.273 175.800 0.003 0.000 1.123 201 F CA -0.611 57.394 58.000 0.008 0.000 1.307 201 F CB 0.041 39.026 39.000 -0.025 0.000 1.115 201 F HN -0.217 nan 8.300 nan 0.000 0.592 202 T N 2.510 117.188 114.554 0.206 0.000 2.884 202 T HA 0.394 4.743 4.350 -0.001 0.000 0.298 202 T C -2.380 172.376 174.700 0.093 0.000 0.998 202 T CA -1.613 60.553 62.100 0.111 0.000 1.124 202 T CB 0.679 69.588 68.868 0.069 0.000 0.931 202 T HN 0.228 nan 8.240 nan 0.000 0.531 203 P HA 0.209 nan 4.420 nan 0.000 0.269 203 P C -0.783 176.555 177.300 0.063 0.000 1.217 203 P CA -0.630 62.511 63.100 0.069 0.000 0.783 203 P CB 0.270 32.002 31.700 0.054 0.000 0.898 204 L N 2.262 123.541 121.223 0.093 0.000 2.282 204 L HA 0.476 4.815 4.340 -0.001 0.000 0.288 204 L C -0.602 176.301 176.870 0.056 0.000 1.033 204 L CA -0.118 54.774 54.840 0.086 0.000 0.807 204 L CB 0.939 43.125 42.059 0.212 0.000 1.209 204 L HN 0.153 nan 8.230 nan 0.000 0.423 205 D N 6.725 127.140 120.400 0.024 0.000 2.432 205 D HA 0.397 5.037 4.640 -0.001 0.000 0.265 205 D C -1.798 174.517 176.300 0.025 0.000 1.160 205 D CA -2.057 51.958 54.000 0.025 0.000 0.911 205 D CB 1.423 42.235 40.800 0.021 0.000 1.052 205 D HN 0.361 nan 8.370 nan 0.000 0.508 206 P HA -0.219 nan 4.420 nan 0.000 0.218 206 P C 1.257 178.568 177.300 0.019 0.000 1.146 206 P CA 1.263 64.372 63.100 0.014 0.000 0.820 206 P CB -0.231 31.459 31.700 -0.017 0.000 0.778 207 T N -3.676 110.890 114.554 0.019 0.000 3.025 207 T HA -0.119 4.230 4.350 -0.001 0.000 0.270 207 T C 1.572 176.291 174.700 0.033 0.000 1.126 207 T CA 0.915 63.028 62.100 0.022 0.000 1.105 207 T CB -0.609 68.271 68.868 0.019 0.000 0.884 207 T HN 0.047 nan 8.240 nan 0.000 0.522 208 Q N 0.298 120.122 119.800 0.041 0.000 2.319 208 Q HA 0.339 4.678 4.340 -0.001 0.000 0.202 208 Q C 0.304 176.354 176.000 0.083 0.000 0.896 208 Q CA 0.124 55.958 55.803 0.052 0.000 0.942 208 Q CB 0.160 28.924 28.738 0.042 0.000 1.083 208 Q HN 0.559 nan 8.270 nan 0.000 0.510 209 E N 1.689 121.946 120.200 0.095 0.000 2.404 209 E HA 0.137 4.486 4.350 -0.001 0.000 0.261 209 E C -2.201 174.460 176.600 0.103 0.000 1.074 209 E CA -1.782 54.701 56.400 0.138 0.000 0.917 209 E CB 0.146 29.901 29.700 0.091 0.000 0.965 209 E HN -0.040 nan 8.360 nan 0.000 0.433 210 P HA 0.039 nan 4.420 nan 0.000 0.265 210 P C -0.119 177.230 177.300 0.082 0.000 1.193 210 P CA 0.104 63.251 63.100 0.078 0.000 0.765 210 P CB 0.364 32.104 31.700 0.067 0.000 0.823 211 I N 3.263 123.871 120.570 0.063 0.000 2.813 211 I HA 0.038 4.207 4.170 -0.001 0.000 0.287 211 I C 0.129 176.308 176.117 0.103 0.000 1.196 211 I CA -0.344 61.002 61.300 0.077 0.000 1.421 211 I CB 0.222 38.242 38.000 0.034 0.000 1.365 211 I HN 0.166 nan 8.210 nan 0.000 0.591 212 F N 9.176 129.126 119.950 0.000 0.000 2.504 212 F HA 0.370 4.896 4.527 -0.001 0.000 0.369 212 F C -1.979 173.752 175.800 -0.115 0.000 1.082 212 F CA -2.594 55.395 58.000 -0.019 0.000 1.216 212 F CB -0.061 38.950 39.000 0.019 0.000 1.108 212 F HN 0.306 nan 8.300 nan 0.000 0.554 213 P HA -0.040 nan 4.420 nan 0.000 0.253 213 P C -2.187 174.707 177.300 -0.677 0.000 1.159 213 P CA -0.359 62.255 63.100 -0.809 0.000 0.779 213 P CB 0.235 31.115 31.700 -1.366 0.000 0.745 214 P HA -0.177 nan 4.420 nan 0.000 0.218 214 P C 1.402 178.559 177.300 -0.239 0.000 1.148 214 P CA 1.196 64.169 63.100 -0.213 0.000 0.822 214 P CB 0.113 31.742 31.700 -0.119 0.000 0.784 215 E N -0.500 119.532 120.200 -0.281 0.000 2.077 215 E HA -0.154 4.195 4.350 -0.001 0.000 0.193 215 E C 1.851 178.291 176.600 -0.267 0.000 0.989 215 E CA 0.828 57.120 56.400 -0.181 0.000 0.800 215 E CB -0.551 29.162 29.700 0.022 0.000 0.746 215 E HN 0.179 nan 8.360 nan 0.000 0.452 216 L N 0.329 121.243 121.223 -0.516 0.000 2.191 216 L HA -0.177 4.162 4.340 -0.001 0.000 0.212 216 L C 2.262 178.972 176.870 -0.267 0.000 1.103 216 L CA 0.267 54.833 54.840 -0.457 0.000 0.769 216 L CB -0.061 41.594 42.059 -0.673 0.000 0.908 216 L HN 0.224 nan 8.230 nan 0.000 0.438 217 L N -0.701 120.386 121.223 -0.227 0.000 2.341 217 L HA -0.048 4.291 4.340 -0.001 0.000 0.214 217 L C 2.455 179.199 176.870 -0.210 0.000 1.115 217 L CA 1.363 56.096 54.840 -0.178 0.000 0.820 217 L CB -0.345 41.663 42.059 -0.084 0.000 0.944 217 L HN 0.075 nan 8.230 nan 0.000 0.452 218 R N -1.481 118.915 120.500 -0.173 0.000 2.210 218 R HA 0.128 4.467 4.340 -0.001 0.000 0.203 218 R C 1.774 178.000 176.300 -0.124 0.000 1.010 218 R CA 0.494 56.517 56.100 -0.129 0.000 1.008 218 R CB -0.003 30.241 30.300 -0.092 0.000 0.923 218 R HN 0.313 nan 8.270 nan 0.000 0.469 219 L N 1.393 122.517 121.223 -0.164 0.000 2.492 219 L HA -0.020 4.319 4.340 -0.001 0.000 0.223 219 L C 2.190 178.987 176.870 -0.120 0.000 1.132 219 L CA 0.615 55.363 54.840 -0.154 0.000 0.850 219 L CB -0.158 41.703 42.059 -0.329 0.000 0.966 219 L HN 0.163 nan 8.230 nan 0.000 0.454 220 K N -0.416 119.883 120.400 -0.168 0.000 2.147 220 K HA -0.179 4.140 4.320 -0.001 0.000 0.205 220 K C 1.035 177.599 176.600 -0.061 0.000 1.049 220 K CA 1.640 57.841 56.287 -0.143 0.000 0.936 220 K CB -0.166 32.041 32.500 -0.489 0.000 0.722 220 K HN 0.226 nan 8.250 nan 0.000 0.446 221 D N 1.577 121.932 120.400 -0.074 0.000 2.194 221 D HA -0.080 4.560 4.640 -0.001 0.000 0.204 221 D C 0.427 176.728 176.300 0.001 0.000 0.964 221 D CA 1.322 55.303 54.000 -0.031 0.000 0.846 221 D CB -0.272 40.502 40.800 -0.042 0.000 0.962 221 D HN 0.457 nan 8.370 nan 0.000 0.490 222 T N 1.228 115.789 114.554 0.011 0.000 2.761 222 T HA 0.261 4.610 4.350 -0.001 0.000 0.287 222 T C -2.491 172.242 174.700 0.055 0.000 0.931 222 T CA -1.552 60.573 62.100 0.042 0.000 1.164 222 T CB 0.662 69.572 68.868 0.069 0.000 0.876 222 T HN -0.220 nan 8.240 nan 0.000 0.534 223 P HA 0.078 nan 4.420 nan 0.000 0.264 223 P C 0.298 177.628 177.300 0.051 0.000 1.179 223 P CA -0.167 62.958 63.100 0.042 0.000 0.763 223 P CB 0.439 32.163 31.700 0.039 0.000 0.806 224 R N 2.688 123.203 120.500 0.026 0.000 2.438 224 R HA 0.278 4.618 4.340 -0.001 0.000 0.287 224 R C 0.602 176.963 176.300 0.101 0.000 1.077 224 R CA -0.132 55.981 56.100 0.021 0.000 1.034 224 R CB 0.537 30.794 30.300 -0.071 0.000 0.993 224 R HN 0.541 nan 8.270 nan 0.000 0.459 225 K N 0.997 121.488 120.400 0.153 0.000 2.443 225 K HA 0.201 4.521 4.320 -0.001 0.000 0.251 225 K C -0.945 175.762 176.600 0.179 0.000 0.972 225 K CA -1.004 55.365 56.287 0.135 0.000 0.833 225 K CB 1.755 34.305 32.500 0.084 0.000 1.317 225 K HN 0.385 nan 8.250 nan 0.000 0.441 226 Q N 2.044 121.906 119.800 0.104 0.000 2.349 226 Q HA 0.115 4.454 4.340 -0.001 0.000 0.287 226 Q C -1.132 174.844 176.000 -0.040 0.000 1.044 226 Q CA 0.047 55.876 55.803 0.042 0.000 0.918 226 Q CB 0.481 29.220 28.738 0.001 0.000 1.242 226 Q HN 0.556 nan 8.270 nan 0.000 0.405 227 L N 3.701 124.834 121.223 -0.149 0.000 2.354 227 L HA 0.645 4.985 4.340 -0.001 0.000 0.269 227 L C -0.364 176.221 176.870 -0.475 0.000 1.005 227 L CA -0.880 53.747 54.840 -0.355 0.000 0.819 227 L CB 2.107 43.864 42.059 -0.505 0.000 1.311 227 L HN 0.652 nan 8.230 nan 0.000 0.423 228 R N 1.779 121.932 120.500 -0.580 0.000 2.561 228 R HA 0.651 4.990 4.340 -0.001 0.000 0.297 228 R C -2.002 173.974 176.300 -0.540 0.000 0.969 228 R CA -0.477 55.370 56.100 -0.422 0.000 0.879 228 R CB 1.510 31.702 30.300 -0.180 0.000 1.178 228 R HN 0.361 nan 8.270 nan 0.000 0.445 229 F N 1.826 121.816 119.950 0.067 0.000 2.529 229 F HA 0.394 4.920 4.527 -0.001 0.000 0.320 229 F C -0.305 175.532 175.800 0.061 0.000 1.118 229 F CA -0.807 57.214 58.000 0.035 0.000 0.915 229 F CB 2.312 41.296 39.000 -0.027 0.000 1.161 229 F HN 0.392 nan 8.300 nan 0.000 0.445 230 E N 1.466 121.802 120.200 0.228 0.000 2.155 230 E HA 0.585 4.934 4.350 -0.001 0.000 0.264 230 E C 0.016 176.692 176.600 0.126 0.000 0.886 230 E CA -0.624 55.865 56.400 0.149 0.000 0.752 230 E CB 2.069 31.828 29.700 0.099 0.000 1.133 230 E HN 0.806 nan 8.360 nan 0.000 0.414 231 G N 1.591 110.461 108.800 0.117 0.000 2.753 231 G HA2 0.085 4.044 3.960 -0.001 0.000 0.285 231 G HA3 0.085 4.044 3.960 -0.001 0.000 0.285 231 G C 0.478 175.430 174.900 0.087 0.000 1.344 231 G CA -0.399 44.758 45.100 0.093 0.000 1.050 231 G HN 0.534 nan 8.290 nan 0.000 0.532 232 E N -0.670 119.583 120.200 0.089 0.000 2.160 232 E HA -0.135 4.215 4.350 -0.001 0.000 0.195 232 E C 2.125 178.767 176.600 0.071 0.000 0.991 232 E CA 1.112 57.564 56.400 0.087 0.000 0.810 232 E CB 0.087 29.858 29.700 0.118 0.000 0.742 232 E HN 0.402 nan 8.360 nan 0.000 0.466 233 R N -0.997 119.549 120.500 0.076 0.000 2.561 233 R HA 0.192 4.532 4.340 -0.001 0.000 0.213 233 R C 0.018 176.362 176.300 0.074 0.000 0.885 233 R CA -0.023 56.115 56.100 0.063 0.000 1.002 233 R CB 1.144 31.477 30.300 0.056 0.000 1.432 233 R HN -0.129 nan 8.270 nan 0.000 0.651 234 V N 1.513 121.488 119.914 0.101 0.000 2.713 234 V HA 0.396 4.516 4.120 -0.001 0.000 0.307 234 V C -0.032 176.152 176.094 0.149 0.000 1.052 234 V CA -0.432 61.948 62.300 0.132 0.000 0.967 234 V CB 1.995 33.926 31.823 0.179 0.000 1.019 234 V HN 0.035 nan 8.190 nan 0.000 0.459 235 T N 3.763 118.405 114.554 0.148 0.000 2.812 235 T HA 0.367 4.717 4.350 -0.001 0.000 0.282 235 T C -1.215 173.616 174.700 0.217 0.000 0.990 235 T CA -0.232 61.959 62.100 0.153 0.000 0.960 235 T CB 0.874 69.781 68.868 0.065 0.000 0.948 235 T HN 0.688 nan 8.240 nan 0.000 0.438 236 W N 6.015 127.351 121.300 0.059 0.000 2.532 236 W HA 0.635 5.295 4.660 -0.001 0.000 0.321 236 W C -2.004 174.496 176.519 -0.032 0.000 1.037 236 W CA -1.429 55.946 57.345 0.051 0.000 1.220 236 W CB 0.633 30.180 29.460 0.145 0.000 1.361 236 W HN 0.512 nan 8.180 nan 0.000 0.468 237 I N 5.466 125.976 120.570 -0.100 0.000 2.410 237 I HA 0.030 4.199 4.170 -0.001 0.000 0.286 237 I C -0.121 175.853 176.117 -0.239 0.000 1.009 237 I CA -0.737 60.488 61.300 -0.126 0.000 1.111 237 I CB 1.929 39.847 38.000 -0.137 0.000 1.262 237 I HN 0.257 nan 8.210 nan 0.000 0.443 238 Q N 5.642 125.350 119.800 -0.152 0.000 2.472 238 Q HA 0.440 4.779 4.340 -0.001 0.000 0.227 238 Q C -0.148 175.680 176.000 -0.287 0.000 1.156 238 Q CA -0.297 55.324 55.803 -0.304 0.000 0.924 238 Q CB 0.885 29.347 28.738 -0.460 0.000 1.354 238 Q HN 0.718 nan 8.270 nan 0.000 0.525 239 A N 2.438 125.127 122.820 -0.219 0.000 2.520 239 A HA 0.245 4.565 4.320 -0.001 0.000 0.245 239 A C 0.980 178.587 177.584 0.038 0.000 1.072 239 A CA 0.530 52.516 52.037 -0.086 0.000 0.761 239 A CB 0.233 19.183 19.000 -0.084 0.000 1.004 239 A HN 0.910 nan 8.150 nan 0.000 0.499 240 S N 0.946 116.729 115.700 0.138 0.000 2.497 240 S HA 0.203 4.672 4.470 -0.001 0.000 0.218 240 S C 0.684 175.387 174.600 0.173 0.000 1.023 240 S CA 0.768 59.136 58.200 0.281 0.000 0.913 240 S CB -0.271 63.096 63.200 0.278 0.000 0.800 240 S HN 1.496 nan 8.310 nan 0.000 0.505 241 T N -1.295 113.317 114.554 0.095 0.000 2.903 241 T HA 0.604 4.954 4.350 -0.001 0.000 0.299 241 T C 0.454 175.173 174.700 0.031 0.000 1.093 241 T CA -0.682 61.454 62.100 0.061 0.000 1.002 241 T CB 1.381 70.276 68.868 0.046 0.000 1.127 241 T HN -0.003 nan 8.240 nan 0.000 0.488 242 L N 1.667 122.902 121.223 0.020 0.000 2.043 242 L HA 0.054 4.393 4.340 -0.001 0.000 0.212 242 L C 2.545 179.412 176.870 -0.006 0.000 1.075 242 L CA 2.121 56.962 54.840 0.001 0.000 0.752 242 L CB -0.836 41.221 42.059 -0.004 0.000 0.891 242 L HN 0.931 nan 8.230 nan 0.000 0.432 243 K N -0.649 119.750 120.400 -0.001 0.000 2.103 243 K HA -0.236 4.084 4.320 -0.001 0.000 0.207 243 K C 2.054 178.650 176.600 -0.007 0.000 1.048 243 K CA 1.863 58.147 56.287 -0.005 0.000 0.930 243 K CB -0.132 32.367 32.500 -0.001 0.000 0.716 243 K HN 0.503 nan 8.250 nan 0.000 0.444 244 E N 0.204 120.404 120.200 -0.001 0.000 2.072 244 E HA -0.189 4.160 4.350 -0.001 0.000 0.191 244 E C 1.923 178.511 176.600 -0.019 0.000 0.985 244 E CA 1.027 57.424 56.400 -0.005 0.000 0.801 244 E CB -0.037 29.666 29.700 0.006 0.000 0.750 244 E HN 0.204 nan 8.360 nan 0.000 0.452 245 L N 0.825 122.034 121.223 -0.024 0.000 2.027 245 L HA -0.150 4.189 4.340 -0.001 0.000 0.206 245 L C 1.920 178.768 176.870 -0.036 0.000 1.074 245 L CA 1.592 56.408 54.840 -0.041 0.000 0.745 245 L CB -0.400 41.632 42.059 -0.045 0.000 0.898 245 L HN 0.133 nan 8.230 nan 0.000 0.433 246 L N -0.640 120.565 121.223 -0.029 0.000 2.017 246 L HA -0.212 4.128 4.340 -0.001 0.000 0.208 246 L C 2.248 179.099 176.870 -0.030 0.000 1.073 246 L CA 1.609 56.431 54.840 -0.029 0.000 0.745 246 L CB -0.966 41.078 42.059 -0.026 0.000 0.894 246 L HN 0.252 nan 8.230 nan 0.000 0.432 247 D N 0.097 120.481 120.400 -0.027 0.000 2.149 247 D HA -0.193 4.446 4.640 -0.001 0.000 0.198 247 D C 1.981 178.260 176.300 -0.035 0.000 0.990 247 D CA 0.962 54.944 54.000 -0.031 0.000 0.839 247 D CB -0.072 40.714 40.800 -0.023 0.000 0.948 247 D HN 0.105 nan 8.370 nan 0.000 0.460 248 L N 0.507 121.718 121.223 -0.020 0.000 2.072 248 L HA -0.068 4.271 4.340 -0.001 0.000 0.205 248 L C 1.666 178.539 176.870 0.004 0.000 1.079 248 L CA 1.641 56.484 54.840 0.006 0.000 0.752 248 L CB -0.173 41.891 42.059 0.007 0.000 0.906 248 L HN -0.209 nan 8.230 nan 0.000 0.436 249 K N -0.016 120.374 120.400 -0.017 0.000 2.211 249 K HA 0.062 4.381 4.320 -0.001 0.000 0.203 249 K C 2.038 178.620 176.600 -0.031 0.000 1.050 249 K CA 1.092 57.369 56.287 -0.018 0.000 0.945 249 K CB -0.512 31.969 32.500 -0.031 0.000 0.732 249 K HN 0.474 nan 8.250 nan 0.000 0.451 250 A N 1.105 123.896 122.820 -0.049 0.000 1.897 250 A HA -0.138 4.181 4.320 -0.001 0.000 0.215 250 A C 2.025 179.546 177.584 -0.105 0.000 1.181 250 A CA 1.105 53.104 52.037 -0.063 0.000 0.620 250 A CB -0.222 18.744 19.000 -0.057 0.000 0.821 250 A HN 0.334 nan 8.150 nan 0.000 0.443 251 Q N -1.375 118.322 119.800 -0.171 0.000 2.354 251 Q HA 0.024 4.363 4.340 -0.001 0.000 0.203 251 Q C -0.344 175.317 176.000 -0.565 0.000 0.933 251 Q CA 0.587 56.172 55.803 -0.364 0.000 0.901 251 Q CB 0.304 28.773 28.738 -0.448 0.000 1.007 251 Q HN 0.709 nan 8.270 nan 0.000 0.495 252 H N -1.142 117.915 119.070 -0.021 0.000 2.538 252 H HA 0.192 4.747 4.556 -0.001 0.000 0.239 252 H C -2.159 173.155 175.328 -0.024 0.000 1.401 252 H CA -1.907 54.130 56.048 -0.018 0.000 1.499 252 H CB 1.209 30.959 29.762 -0.020 0.000 1.624 252 H HN 0.030 nan 8.280 nan 0.000 0.524 253 P HA -0.135 nan 4.420 nan 0.000 0.221 253 P C 1.380 178.701 177.300 0.035 0.000 1.145 253 P CA 1.113 64.230 63.100 0.028 0.000 0.795 253 P CB 0.499 32.206 31.700 0.012 0.000 0.775 254 D N -0.061 120.380 120.400 0.068 0.000 2.182 254 D HA -0.095 4.545 4.640 -0.001 0.000 0.201 254 D C 0.554 176.875 176.300 0.035 0.000 0.986 254 D CA 0.379 54.416 54.000 0.061 0.000 0.847 254 D CB -0.593 40.251 40.800 0.073 0.000 0.942 254 D HN 0.007 nan 8.370 nan 0.000 0.467 255 A N 0.789 123.621 122.820 0.021 0.000 2.561 255 A HA 0.034 4.353 4.320 -0.001 0.000 0.251 255 A C 0.353 177.882 177.584 -0.091 0.000 1.062 255 A CA 0.237 52.253 52.037 -0.035 0.000 0.761 255 A CB 0.186 19.167 19.000 -0.031 0.000 0.986 255 A HN -0.005 nan 8.150 nan 0.000 0.510 256 K N 3.370 123.682 120.400 -0.146 0.000 2.262 256 K HA 0.312 4.632 4.320 -0.001 0.000 0.282 256 K C -0.170 176.257 176.600 -0.288 0.000 1.066 256 K CA -0.022 56.102 56.287 -0.272 0.000 0.901 256 K CB 0.648 32.858 32.500 -0.484 0.000 1.089 256 K HN 0.697 nan 8.250 nan 0.000 0.476 257 L N 3.144 124.217 121.223 -0.250 0.000 2.439 257 L HA 0.269 4.608 4.340 -0.001 0.000 0.269 257 L C 0.095 176.802 176.870 -0.273 0.000 1.179 257 L CA -0.496 54.196 54.840 -0.248 0.000 0.828 257 L CB 0.712 42.669 42.059 -0.172 0.000 1.106 257 L HN 0.146 nan 8.230 nan 0.000 0.467 258 V N 3.723 123.451 119.914 -0.311 0.000 2.655 258 V HA 0.247 4.366 4.120 -0.001 0.000 0.301 258 V C 0.318 176.308 176.094 -0.174 0.000 1.082 258 V CA -0.408 61.743 62.300 -0.248 0.000 0.899 258 V CB 1.994 33.618 31.823 -0.332 0.000 1.014 258 V HN 0.638 nan 8.190 nan 0.000 0.429 259 V N 3.433 123.308 119.914 -0.065 0.000 3.405 259 V HA 0.282 4.401 4.120 -0.001 0.000 0.211 259 V C 2.142 178.270 176.094 0.057 0.000 1.151 259 V CA 1.318 63.610 62.300 -0.013 0.000 1.323 259 V CB -0.383 31.429 31.823 -0.019 0.000 1.357 259 V HN 0.834 nan 8.190 nan 0.000 0.506 260 G N -0.519 108.313 108.800 0.054 0.000 2.464 260 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.217 260 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.217 260 G C 0.848 175.819 174.900 0.118 0.000 1.138 260 G CA 1.017 46.169 45.100 0.087 0.000 0.793 260 G HN 0.683 nan 8.290 nan 0.000 0.539 261 N N -0.862 117.900 118.700 0.105 0.000 2.878 261 N HA -0.223 4.516 4.740 -0.001 0.000 0.247 261 N C 1.342 176.934 175.510 0.136 0.000 1.021 261 N CA 1.893 55.019 53.050 0.127 0.000 0.873 261 N CB -1.843 36.753 38.487 0.182 0.000 1.128 261 N HN 0.410 nan 8.380 nan 0.000 0.571 262 T N -3.757 110.874 114.554 0.128 0.000 3.160 262 T HA 0.100 4.449 4.350 -0.001 0.000 0.257 262 T C 1.204 175.988 174.700 0.140 0.000 1.147 262 T CA 1.337 63.523 62.100 0.143 0.000 1.064 262 T CB 0.283 69.240 68.868 0.148 0.000 0.949 262 T HN 0.422 nan 8.240 nan 0.000 0.526 263 E N 0.458 120.732 120.200 0.124 0.000 2.419 263 E HA 0.237 4.587 4.350 -0.001 0.000 0.197 263 E C 1.814 178.499 176.600 0.142 0.000 0.920 263 E CA -0.150 56.320 56.400 0.118 0.000 1.085 263 E CB -0.329 29.420 29.700 0.081 0.000 1.084 263 E HN 0.249 nan 8.360 nan 0.000 0.490 264 I N 1.617 122.255 120.570 0.113 0.000 2.286 264 I HA -0.092 4.077 4.170 -0.001 0.000 0.248 264 I C 2.305 178.555 176.117 0.222 0.000 1.115 264 I CA 1.746 63.134 61.300 0.147 0.000 1.392 264 I CB -1.606 36.415 38.000 0.035 0.000 1.065 264 I HN 0.339 nan 8.210 nan 0.000 0.418 265 G N 1.216 110.133 108.800 0.195 0.000 2.450 265 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.220 265 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.220 265 G C 1.634 176.673 174.900 0.232 0.000 1.130 265 G CA 0.312 45.532 45.100 0.201 0.000 0.760 265 G HN 0.215 nan 8.290 nan 0.000 0.557 266 I N 0.781 121.514 120.570 0.272 0.000 2.286 266 I HA -0.036 4.133 4.170 -0.001 0.000 0.245 266 I C 2.548 178.890 176.117 0.375 0.000 1.104 266 I CA 0.912 62.450 61.300 0.396 0.000 1.397 266 I CB -1.157 37.024 38.000 0.302 0.000 1.072 266 I HN 0.309 nan 8.210 nan 0.000 0.417 267 E N 0.542 120.915 120.200 0.290 0.000 2.038 267 E HA -0.226 4.123 4.350 -0.001 0.000 0.195 267 E C 2.342 179.074 176.600 0.220 0.000 1.000 267 E CA 1.437 58.002 56.400 0.276 0.000 0.803 267 E CB -0.133 29.768 29.700 0.335 0.000 0.750 267 E HN 0.379 nan 8.360 nan 0.000 0.448 268 M N 0.341 120.075 119.600 0.223 0.000 2.108 268 M HA -0.197 4.283 4.480 -0.001 0.000 0.261 268 M C 2.315 178.637 176.300 0.037 0.000 1.066 268 M CA 1.370 56.742 55.300 0.121 0.000 1.107 268 M CB -0.091 32.608 32.600 0.165 0.000 1.356 268 M HN -0.113 nan 8.290 nan 0.000 0.406 269 K N 0.125 120.523 120.400 -0.004 0.000 2.137 269 K HA 0.006 4.325 4.320 -0.001 0.000 0.202 269 K C 1.240 177.607 176.600 -0.389 0.000 1.052 269 K CA 1.490 57.632 56.287 -0.241 0.000 0.961 269 K CB -0.021 32.238 32.500 -0.401 0.000 0.741 269 K HN 0.173 nan 8.250 nan 0.000 0.452 270 F N 0.433 120.447 119.950 0.107 0.000 2.453 270 F HA 0.218 4.745 4.527 -0.001 0.000 0.284 270 F C 1.306 177.166 175.800 0.100 0.000 1.065 270 F CA 0.326 58.389 58.000 0.106 0.000 1.411 270 F CB 0.180 39.250 39.000 0.116 0.000 1.131 270 F HN -0.213 nan 8.300 nan 0.000 0.582 271 K N 0.734 121.296 120.400 0.270 0.000 2.504 271 K HA 0.042 4.361 4.320 -0.001 0.000 0.199 271 K C -0.185 176.480 176.600 0.109 0.000 1.028 271 K CA -0.061 56.339 56.287 0.189 0.000 1.164 271 K CB -1.267 31.347 32.500 0.191 0.000 0.877 271 K HN 0.175 nan 8.250 nan 0.000 0.508 272 N N 1.424 120.169 118.700 0.076 0.000 2.686 272 N HA -0.187 4.552 4.740 -0.001 0.000 0.261 272 N C -0.987 174.502 175.510 -0.036 0.000 1.001 272 N CA 0.509 53.571 53.050 0.019 0.000 0.764 272 N CB -0.530 37.974 38.487 0.029 0.000 0.898 272 N HN 0.120 nan 8.380 nan 0.000 0.544 273 M N 0.854 120.407 119.600 -0.079 0.000 2.364 273 M HA 0.470 4.950 4.480 -0.001 0.000 0.334 273 M C -0.433 175.609 176.300 -0.430 0.000 1.107 273 M CA -0.931 54.198 55.300 -0.284 0.000 0.988 273 M CB 1.487 33.924 32.600 -0.272 0.000 1.673 273 M HN 0.230 nan 8.290 nan 0.000 0.441 274 L N 4.014 124.887 121.223 -0.582 0.000 2.376 274 L HA 0.630 4.969 4.340 -0.001 0.000 0.275 274 L C -1.986 174.554 176.870 -0.550 0.000 0.987 274 L CA -0.091 54.503 54.840 -0.410 0.000 0.828 274 L CB 1.192 43.148 42.059 -0.172 0.000 1.249 274 L HN 0.469 nan 8.230 nan 0.000 0.409 275 F N 7.138 127.112 119.950 0.040 0.000 2.366 275 F HA 0.487 5.013 4.527 -0.001 0.000 0.366 275 F C -1.313 174.502 175.800 0.024 0.000 1.096 275 F CA -1.665 56.349 58.000 0.025 0.000 1.060 275 F CB 0.904 39.914 39.000 0.017 0.000 1.282 275 F HN 0.452 nan 8.300 nan 0.000 0.450 276 P HA -0.214 nan 4.420 nan 0.000 0.216 276 P C 0.306 177.651 177.300 0.075 0.000 1.150 276 P CA 1.423 64.571 63.100 0.081 0.000 0.843 276 P CB 0.657 32.381 31.700 0.039 0.000 0.787 277 M N -0.301 119.338 119.600 0.065 0.000 2.197 277 M HA 0.438 4.917 4.480 -0.001 0.000 0.301 277 M C -1.279 175.007 176.300 -0.023 0.000 0.987 277 M CA -0.818 54.485 55.300 0.005 0.000 0.921 277 M CB 1.587 34.145 32.600 -0.070 0.000 1.569 277 M HN -0.300 nan 8.290 nan 0.000 0.431 278 I N 4.174 124.701 120.570 -0.073 0.000 2.603 278 I HA 0.637 4.807 4.170 -0.001 0.000 0.300 278 I C -1.163 174.704 176.117 -0.416 0.000 1.017 278 I CA -1.061 60.090 61.300 -0.248 0.000 1.098 278 I CB 2.305 40.140 38.000 -0.275 0.000 1.279 278 I HN 0.484 nan 8.210 nan 0.000 0.437 279 V N 5.986 125.606 119.914 -0.489 0.000 2.569 279 V HA 0.367 4.486 4.120 -0.001 0.000 0.301 279 V C -1.176 174.586 176.094 -0.554 0.000 1.044 279 V CA -0.411 61.603 62.300 -0.476 0.000 0.874 279 V CB 1.591 33.258 31.823 -0.261 0.000 1.002 279 V HN 0.915 nan 8.190 nan 0.000 0.424 280 C N 10.000 128.907 119.300 -0.654 0.000 2.239 280 C HA 0.668 5.128 4.460 -0.001 0.000 0.325 280 C C -1.001 173.808 174.990 -0.301 0.000 1.231 280 C CA -1.220 57.505 59.018 -0.490 0.000 1.652 280 C CB 1.237 28.709 27.740 -0.447 0.000 2.284 280 C HN 0.861 nan 8.230 nan 0.000 0.499 281 P HA 0.096 nan 4.420 nan 0.000 0.255 281 P C 1.236 178.513 177.300 -0.039 0.000 1.248 281 P CA 0.719 63.754 63.100 -0.108 0.000 0.807 281 P CB 0.135 31.782 31.700 -0.089 0.000 1.150 282 A N 0.531 123.321 122.820 -0.051 0.000 1.929 282 A HA -0.198 4.121 4.320 -0.001 0.000 0.221 282 A C 1.911 179.627 177.584 0.220 0.000 1.211 282 A CA 1.797 53.868 52.037 0.056 0.000 0.657 282 A CB -1.969 17.071 19.000 0.067 0.000 0.827 282 A HN 0.210 nan 8.150 nan 0.000 0.462 283 W N -0.187 121.142 121.300 0.049 0.000 2.519 283 W HA 0.188 4.848 4.660 -0.001 0.000 0.266 283 W C 0.676 177.208 176.519 0.022 0.000 1.253 283 W CA -0.626 56.748 57.345 0.050 0.000 1.274 283 W CB -1.014 28.490 29.460 0.074 0.000 1.114 283 W HN 0.163 nan 8.180 nan 0.000 0.596 284 I N 4.816 125.517 120.570 0.219 0.000 2.769 284 I HA -0.129 4.041 4.170 -0.001 0.000 0.285 284 I C -0.537 175.624 176.117 0.073 0.000 1.173 284 I CA -0.716 60.655 61.300 0.118 0.000 1.389 284 I CB 0.422 38.457 38.000 0.058 0.000 1.404 284 I HN -0.298 nan 8.210 nan 0.000 0.544 285 P HA -0.206 nan 4.420 nan 0.000 0.216 285 P C 1.071 178.368 177.300 -0.004 0.000 1.150 285 P CA 1.467 64.578 63.100 0.018 0.000 0.843 285 P CB 0.328 32.034 31.700 0.009 0.000 0.787 286 E N 0.276 120.473 120.200 -0.005 0.000 2.085 286 E HA -0.114 4.235 4.350 -0.001 0.000 0.194 286 E C 1.972 178.556 176.600 -0.027 0.000 0.994 286 E CA 0.957 57.343 56.400 -0.023 0.000 0.801 286 E CB -1.117 28.570 29.700 -0.021 0.000 0.743 286 E HN 0.306 nan 8.360 nan 0.000 0.453 287 L N 0.741 121.956 121.223 -0.013 0.000 2.650 287 L HA 0.052 4.391 4.340 -0.001 0.000 0.235 287 L C 1.079 177.942 176.870 -0.012 0.000 1.149 287 L CA 0.291 55.122 54.840 -0.015 0.000 0.887 287 L CB -0.105 41.948 42.059 -0.009 0.000 1.021 287 L HN 0.120 nan 8.230 nan 0.000 0.441 288 N N -1.126 117.565 118.700 -0.016 0.000 2.143 288 N HA 0.041 4.781 4.740 -0.001 0.000 0.222 288 N C 0.449 175.934 175.510 -0.042 0.000 1.264 288 N CA 0.094 53.132 53.050 -0.020 0.000 0.897 288 N CB 0.900 39.380 38.487 -0.012 0.000 1.092 288 N HN 0.200 nan 8.380 nan 0.000 0.516 289 S N 0.518 116.181 115.700 -0.061 0.000 2.576 289 S HA 0.425 4.894 4.470 -0.001 0.000 0.276 289 S C 0.183 174.689 174.600 -0.157 0.000 1.339 289 S CA -0.306 57.834 58.200 -0.101 0.000 1.039 289 S CB 1.784 64.923 63.200 -0.101 0.000 0.902 289 S HN -0.116 nan 8.310 nan 0.000 0.516 290 V N 3.361 123.137 119.914 -0.229 0.000 2.483 290 V HA 0.541 4.660 4.120 -0.001 0.000 0.297 290 V C -0.359 175.442 176.094 -0.488 0.000 1.027 290 V CA -0.598 61.446 62.300 -0.426 0.000 0.855 290 V CB 1.245 32.837 31.823 -0.385 0.000 0.995 290 V HN 1.074 nan 8.190 nan 0.000 0.424 291 E N 3.890 123.737 120.200 -0.589 0.000 2.314 291 E HA 0.540 4.889 4.350 -0.001 0.000 0.272 291 E C -1.437 174.817 176.600 -0.577 0.000 0.884 291 E CA -0.972 55.132 56.400 -0.494 0.000 0.753 291 E CB 2.101 31.640 29.700 -0.268 0.000 1.213 291 E HN 0.665 nan 8.360 nan 0.000 0.432 292 H N 2.200 121.179 119.070 -0.152 0.000 2.690 292 H HA 0.350 4.905 4.556 -0.001 0.000 0.289 292 H C 0.145 175.457 175.328 -0.026 0.000 1.089 292 H CA -0.319 55.677 56.048 -0.086 0.000 1.299 292 H CB 1.451 31.203 29.762 -0.017 0.000 1.405 292 H HN 0.741 nan 8.280 nan 0.000 0.463 293 G N 2.729 111.562 108.800 0.056 0.000 2.642 293 G HA2 0.191 4.151 3.960 -0.001 0.000 0.291 293 G HA3 0.191 4.151 3.960 -0.001 0.000 0.291 293 G C -1.364 173.647 174.900 0.185 0.000 1.345 293 G CA -1.193 43.945 45.100 0.064 0.000 1.043 293 G HN 0.313 nan 8.290 nan 0.000 0.528 294 P HA 0.090 nan 4.420 nan 0.000 0.231 294 P C 0.048 177.510 177.300 0.271 0.000 1.168 294 P CA 0.776 63.980 63.100 0.173 0.000 0.779 294 P CB 0.608 32.351 31.700 0.071 0.000 0.844 295 D N -0.558 119.959 120.400 0.195 0.000 2.392 295 D HA 0.240 4.880 4.640 -0.001 0.000 0.206 295 D C 1.394 177.676 176.300 -0.029 0.000 1.046 295 D CA 0.742 54.837 54.000 0.157 0.000 0.865 295 D CB 1.164 41.982 40.800 0.030 0.000 0.969 295 D HN 0.226 nan 8.370 nan 0.000 0.509 296 G N -0.018 108.566 108.800 -0.360 0.000 2.335 296 G HA2 0.354 4.313 3.960 -0.001 0.000 0.291 296 G HA3 0.354 4.313 3.960 -0.001 0.000 0.291 296 G C -1.764 172.839 174.900 -0.495 0.000 1.261 296 G CA -0.872 43.706 45.100 -0.871 0.000 0.871 296 G HN -0.002 nan 8.290 nan 0.000 0.491 297 I N 1.206 121.582 120.570 -0.322 0.000 2.404 297 I HA 0.539 4.709 4.170 -0.001 0.000 0.293 297 I C 0.170 175.981 176.117 -0.511 0.000 0.992 297 I CA -0.725 60.327 61.300 -0.414 0.000 1.149 297 I CB 1.932 39.645 38.000 -0.479 0.000 1.315 297 I HN 0.407 nan 8.210 nan 0.000 0.446 298 S N 5.833 121.167 115.700 -0.611 0.000 2.489 298 S HA 0.715 5.184 4.470 -0.001 0.000 0.291 298 S C -0.984 173.182 174.600 -0.724 0.000 1.151 298 S CA -0.326 57.583 58.200 -0.484 0.000 1.082 298 S CB 0.488 63.503 63.200 -0.308 0.000 1.019 298 S HN 0.327 nan 8.310 nan 0.000 0.492 299 F N 1.742 121.564 119.950 -0.214 0.000 2.540 299 F HA 0.544 5.070 4.527 -0.001 0.000 0.317 299 F C 1.014 176.717 175.800 -0.163 0.000 1.104 299 F CA -0.788 57.096 58.000 -0.192 0.000 0.913 299 F CB 1.656 40.542 39.000 -0.190 0.000 1.170 299 F HN 0.710 nan 8.300 nan 0.000 0.450 300 G N 0.707 109.526 108.800 0.032 0.000 2.441 300 G HA2 0.370 4.329 3.960 -0.001 0.000 0.243 300 G HA3 0.370 4.329 3.960 -0.001 0.000 0.243 300 G C 0.822 175.720 174.900 -0.002 0.000 1.281 300 G CA -0.001 45.092 45.100 -0.011 0.000 0.854 300 G HN 0.985 nan 8.290 nan 0.000 0.560 301 A N 2.199 125.003 122.820 -0.026 0.000 1.986 301 A HA 0.033 4.352 4.320 -0.001 0.000 0.220 301 A C 2.634 180.200 177.584 -0.030 0.000 1.171 301 A CA 2.467 54.484 52.037 -0.032 0.000 0.640 301 A CB -0.394 18.585 19.000 -0.035 0.000 0.811 301 A HN 1.301 nan 8.150 nan 0.000 0.451 302 A N -1.424 121.381 122.820 -0.024 0.000 2.067 302 A HA 0.108 4.427 4.320 -0.001 0.000 0.217 302 A C 1.168 178.730 177.584 -0.036 0.000 1.156 302 A CA 0.454 52.477 52.037 -0.023 0.000 0.683 302 A CB -1.052 17.944 19.000 -0.007 0.000 0.808 302 A HN 0.500 nan 8.150 nan 0.000 0.455 303 C N 2.909 122.189 119.300 -0.033 0.000 2.255 303 C HA 0.134 4.594 4.460 -0.001 0.000 0.401 303 C C -1.811 173.114 174.990 -0.109 0.000 1.529 303 C CA -0.784 58.204 59.018 -0.050 0.000 1.418 303 C CB -0.834 26.912 27.740 0.009 0.000 2.522 303 C HN 0.433 nan 8.230 nan 0.000 0.616 304 P HA 0.045 nan 4.420 nan 0.000 0.269 304 P C 0.822 177.990 177.300 -0.219 0.000 1.209 304 P CA 0.188 63.187 63.100 -0.169 0.000 0.776 304 P CB 0.591 32.169 31.700 -0.204 0.000 0.876 305 L N 1.957 123.029 121.223 -0.252 0.000 2.137 305 L HA -0.264 4.076 4.340 -0.001 0.000 0.213 305 L C 2.637 179.327 176.870 -0.301 0.000 1.085 305 L CA 2.381 57.018 54.840 -0.337 0.000 0.760 305 L CB -1.144 40.634 42.059 -0.468 0.000 0.893 305 L HN 0.472 nan 8.230 nan 0.000 0.434 306 S N 0.788 116.342 115.700 -0.242 0.000 2.399 306 S HA -0.193 4.276 4.470 -0.001 0.000 0.231 306 S C 1.849 176.336 174.600 -0.188 0.000 1.022 306 S CA 1.352 59.431 58.200 -0.202 0.000 0.983 306 S CB -0.762 62.333 63.200 -0.174 0.000 0.803 306 S HN 0.576 nan 8.310 nan 0.000 0.480 307 I N -0.362 120.094 120.570 -0.189 0.000 2.876 307 I HA 0.154 4.324 4.170 -0.001 0.000 0.264 307 I C 1.981 178.015 176.117 -0.137 0.000 1.204 307 I CA 0.418 61.638 61.300 -0.134 0.000 1.485 307 I CB -0.518 37.423 38.000 -0.098 0.000 1.103 307 I HN 0.092 nan 8.210 nan 0.000 0.446 308 V N 1.267 120.999 119.914 -0.303 0.000 2.379 308 V HA -0.217 3.903 4.120 -0.001 0.000 0.245 308 V C 2.685 178.572 176.094 -0.345 0.000 1.044 308 V CA 2.223 64.173 62.300 -0.584 0.000 1.036 308 V CB -0.823 30.507 31.823 -0.820 0.000 0.664 308 V HN 0.587 nan 8.190 nan 0.000 0.453 309 E N 0.018 120.055 120.200 -0.271 0.000 2.077 309 E HA -0.248 4.101 4.350 -0.001 0.000 0.193 309 E C 2.353 178.873 176.600 -0.133 0.000 0.989 309 E CA 1.038 57.318 56.400 -0.200 0.000 0.800 309 E CB -0.028 29.555 29.700 -0.196 0.000 0.746 309 E HN 0.266 nan 8.360 nan 0.000 0.452 310 K N 0.189 120.521 120.400 -0.114 0.000 2.002 310 K HA -0.107 4.212 4.320 -0.001 0.000 0.209 310 K C 2.141 178.718 176.600 -0.038 0.000 1.048 310 K CA 1.856 58.099 56.287 -0.073 0.000 0.930 310 K CB -0.686 31.772 32.500 -0.069 0.000 0.714 310 K HN 0.157 nan 8.250 nan 0.000 0.438 311 T N 2.010 116.563 114.554 -0.002 0.000 2.708 311 T HA -0.134 4.215 4.350 -0.001 0.000 0.266 311 T C 1.840 176.546 174.700 0.011 0.000 1.037 311 T CA 1.073 63.209 62.100 0.060 0.000 1.146 311 T CB -0.142 68.856 68.868 0.218 0.000 0.865 311 T HN 0.011 nan 8.240 nan 0.000 0.435 312 L N 0.833 122.023 121.223 -0.055 0.000 2.093 312 L HA -0.006 4.333 4.340 -0.001 0.000 0.208 312 L C 2.598 179.442 176.870 -0.043 0.000 1.085 312 L CA 1.067 55.817 54.840 -0.150 0.000 0.755 312 L CB -1.074 40.855 42.059 -0.217 0.000 0.904 312 L HN 0.124 nan 8.230 nan 0.000 0.435 313 V N -0.391 119.500 119.914 -0.038 0.000 2.343 313 V HA -0.300 3.820 4.120 -0.001 0.000 0.247 313 V C 2.219 178.316 176.094 0.004 0.000 1.051 313 V CA 1.811 64.102 62.300 -0.016 0.000 1.036 313 V CB -0.496 31.305 31.823 -0.037 0.000 0.654 313 V HN 0.420 nan 8.190 nan 0.000 0.451 314 D N 0.262 120.661 120.400 -0.002 0.000 2.097 314 D HA -0.126 4.514 4.640 -0.001 0.000 0.195 314 D C 2.261 178.575 176.300 0.023 0.000 0.989 314 D CA 1.675 55.677 54.000 0.003 0.000 0.827 314 D CB -0.370 40.429 40.800 -0.003 0.000 0.966 314 D HN 0.426 nan 8.370 nan 0.000 0.456 315 A N 0.754 123.599 122.820 0.042 0.000 1.883 315 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 315 A C 2.489 180.173 177.584 0.165 0.000 1.186 315 A CA 1.370 53.472 52.037 0.109 0.000 0.624 315 A CB -0.852 18.234 19.000 0.143 0.000 0.822 315 A HN 0.169 nan 8.150 nan 0.000 0.444 316 V N -0.545 119.468 119.914 0.165 0.000 2.867 316 V HA -0.168 3.951 4.120 -0.001 0.000 0.260 316 V C 2.734 178.877 176.094 0.081 0.000 1.099 316 V CA 1.644 64.036 62.300 0.154 0.000 1.122 316 V CB -0.808 31.098 31.823 0.137 0.000 0.708 316 V HN 0.646 nan 8.190 nan 0.000 0.490 317 A N -0.563 122.288 122.820 0.053 0.000 1.943 317 A HA 0.028 4.348 4.320 -0.001 0.000 0.213 317 A C 1.924 179.518 177.584 0.017 0.000 1.181 317 A CA 0.726 52.779 52.037 0.027 0.000 0.653 317 A CB -0.105 18.902 19.000 0.012 0.000 0.833 317 A HN 0.394 nan 8.150 nan 0.000 0.451 318 K N -0.330 120.079 120.400 0.015 0.000 2.493 318 K HA 0.504 4.823 4.320 -0.001 0.000 0.207 318 K C -0.670 175.928 176.600 -0.004 0.000 1.033 318 K CA 0.188 56.474 56.287 -0.003 0.000 1.161 318 K CB 0.144 32.632 32.500 -0.020 0.000 0.873 318 K HN 0.384 nan 8.250 nan 0.000 0.491 319 L N 0.398 121.631 121.223 0.017 0.000 2.371 319 L HA 0.502 4.841 4.340 -0.001 0.000 0.262 319 L C -2.349 174.517 176.870 -0.007 0.000 1.006 319 L CA -2.543 52.298 54.840 0.002 0.000 0.818 319 L CB 1.964 44.052 42.059 0.048 0.000 1.354 319 L HN -0.154 nan 8.230 nan 0.000 0.415 320 P HA 0.050 nan 4.420 nan 0.000 0.263 320 P C 0.349 177.635 177.300 -0.024 0.000 1.195 320 P CA 0.043 63.121 63.100 -0.037 0.000 0.762 320 P CB 1.046 32.708 31.700 -0.064 0.000 0.799 321 A N 3.740 126.559 122.820 -0.003 0.000 1.971 321 A HA -0.306 4.013 4.320 -0.001 0.000 0.222 321 A C 2.114 179.702 177.584 0.007 0.000 1.182 321 A CA 1.967 54.013 52.037 0.014 0.000 0.649 321 A CB -1.049 17.965 19.000 0.024 0.000 0.818 321 A HN 0.536 nan 8.150 nan 0.000 0.458 322 Q N -0.198 119.599 119.800 -0.004 0.000 2.291 322 Q HA -0.056 4.284 4.340 -0.001 0.000 0.206 322 Q C 1.614 177.573 176.000 -0.068 0.000 0.976 322 Q CA 1.757 57.551 55.803 -0.014 0.000 0.875 322 Q CB -0.223 28.503 28.738 -0.019 0.000 0.927 322 Q HN 0.689 nan 8.270 nan 0.000 0.450 323 K N -1.056 119.287 120.400 -0.094 0.000 2.404 323 K HA 0.073 4.392 4.320 -0.001 0.000 0.194 323 K C 0.596 177.075 176.600 -0.202 0.000 1.023 323 K CA 0.979 57.179 56.287 -0.144 0.000 1.094 323 K CB 0.643 33.013 32.500 -0.216 0.000 0.841 323 K HN 0.256 nan 8.250 nan 0.000 0.523 324 T N -2.551 111.903 114.554 -0.167 0.000 3.252 324 T HA 0.199 4.549 4.350 -0.001 0.000 0.286 324 T C 0.898 175.519 174.700 -0.132 0.000 1.013 324 T CA -0.426 61.528 62.100 -0.242 0.000 0.914 324 T CB 0.408 69.289 68.868 0.021 0.000 1.131 324 T HN -0.096 nan 8.240 nan 0.000 0.529 325 E N 1.320 121.461 120.200 -0.097 0.000 2.085 325 E HA -0.086 4.264 4.350 -0.001 0.000 0.194 325 E C 2.124 178.717 176.600 -0.011 0.000 0.994 325 E CA 1.058 57.478 56.400 0.033 0.000 0.801 325 E CB -0.223 29.544 29.700 0.111 0.000 0.743 325 E HN 0.442 nan 8.360 nan 0.000 0.453 326 V N 1.229 120.983 119.914 -0.266 0.000 2.358 326 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 326 V C 2.207 178.217 176.094 -0.140 0.000 1.047 326 V CA 1.419 63.387 62.300 -0.553 0.000 1.035 326 V CB -0.586 30.876 31.823 -0.602 0.000 0.658 326 V HN 0.092 nan 8.190 nan 0.000 0.452 327 F N 0.809 120.688 119.950 -0.118 0.000 2.069 327 F HA -0.168 4.358 4.527 -0.001 0.000 0.298 327 F C 2.597 178.376 175.800 -0.035 0.000 1.113 327 F CA 1.659 59.628 58.000 -0.052 0.000 1.214 327 F CB -1.264 37.742 39.000 0.009 0.000 0.978 327 F HN 0.051 nan 8.300 nan 0.000 0.474 328 R N 0.089 120.707 120.500 0.198 0.000 2.139 328 R HA -0.122 4.217 4.340 -0.001 0.000 0.243 328 R C 2.480 178.837 176.300 0.095 0.000 1.145 328 R CA 1.280 57.452 56.100 0.120 0.000 0.976 328 R CB -0.982 29.380 30.300 0.104 0.000 0.866 328 R HN 0.379 nan 8.270 nan 0.000 0.449 329 G N -1.085 107.796 108.800 0.135 0.000 2.394 329 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.215 329 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.215 329 G C 1.361 176.308 174.900 0.079 0.000 1.165 329 G CA 0.597 45.808 45.100 0.185 0.000 0.784 329 G HN 0.185 nan 8.290 nan 0.000 0.535 330 V N 1.155 121.088 119.914 0.033 0.000 2.295 330 V HA -0.136 3.983 4.120 -0.001 0.000 0.246 330 V C 2.926 178.982 176.094 -0.065 0.000 1.049 330 V CA 1.406 63.676 62.300 -0.050 0.000 1.024 330 V CB -0.463 31.331 31.823 -0.049 0.000 0.648 330 V HN 0.332 nan 8.190 nan 0.000 0.447 331 L N -0.496 120.702 121.223 -0.041 0.000 2.042 331 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 331 L C 2.751 179.569 176.870 -0.087 0.000 1.076 331 L CA 1.472 56.269 54.840 -0.072 0.000 0.749 331 L CB -0.674 41.362 42.059 -0.038 0.000 0.893 331 L HN 0.335 nan 8.230 nan 0.000 0.432 332 E N -0.143 120.031 120.200 -0.044 0.000 2.110 332 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 332 E C 2.267 178.861 176.600 -0.010 0.000 0.988 332 E CA 1.033 57.415 56.400 -0.030 0.000 0.804 332 E CB 0.006 29.705 29.700 -0.002 0.000 0.745 332 E HN 0.466 nan 8.360 nan 0.000 0.458 333 Q N -0.096 119.702 119.800 -0.003 0.000 2.123 333 Q HA 0.009 4.348 4.340 -0.001 0.000 0.199 333 Q C 2.459 178.505 176.000 0.076 0.000 0.966 333 Q CA 0.514 56.353 55.803 0.060 0.000 0.845 333 Q CB -0.223 28.525 28.738 0.016 0.000 0.907 333 Q HN 0.333 nan 8.270 nan 0.000 0.439 334 L N 0.345 121.546 121.223 -0.037 0.000 2.362 334 L HA -0.069 4.270 4.340 -0.001 0.000 0.219 334 L C 2.540 179.328 176.870 -0.136 0.000 1.134 334 L CA 0.509 55.300 54.840 -0.081 0.000 0.807 334 L CB -0.260 41.681 42.059 -0.196 0.000 0.927 334 L HN 0.152 nan 8.230 nan 0.000 0.447 335 R N 0.077 120.404 120.500 -0.288 0.000 2.092 335 R HA -0.165 4.174 4.340 -0.001 0.000 0.231 335 R C 0.780 176.628 176.300 -0.753 0.000 1.119 335 R CA 1.524 57.245 56.100 -0.631 0.000 0.970 335 R CB 0.002 29.747 30.300 -0.925 0.000 0.864 335 R HN 0.377 nan 8.270 nan 0.000 0.440 336 W N -0.780 120.539 121.300 0.032 0.000 2.570 336 W HA 0.253 4.913 4.660 -0.001 0.000 0.410 336 W C -0.704 175.848 176.519 0.056 0.000 0.889 336 W CA -1.069 56.283 57.345 0.011 0.000 2.386 336 W CB 0.262 29.699 29.460 -0.037 0.000 1.228 336 W HN -0.118 nan 8.180 nan 0.000 0.692 337 F N 1.955 121.927 119.950 0.037 0.000 2.334 337 F HA 0.672 5.198 4.527 -0.001 0.000 0.367 337 F C 1.073 176.884 175.800 0.018 0.000 1.115 337 F CA -0.736 57.277 58.000 0.021 0.000 1.116 337 F CB -0.089 38.892 39.000 -0.032 0.000 1.230 337 F HN 0.133 nan 8.300 nan 0.000 0.484 338 A N 3.739 126.658 122.820 0.166 0.000 5.476 338 A HA 0.036 4.355 4.320 -0.001 0.000 0.327 338 A C 0.709 178.394 177.584 0.169 0.000 1.778 338 A CA 1.253 53.394 52.037 0.175 0.000 0.721 338 A CB -1.927 17.236 19.000 0.272 0.000 1.388 338 A HN 1.731 nan 8.150 nan 0.000 0.397 339 G N -3.707 105.188 108.800 0.159 0.000 2.788 339 G HA2 0.536 4.495 3.960 -0.001 0.000 0.293 339 G HA3 0.536 4.495 3.960 -0.001 0.000 0.293 339 G C 0.223 175.169 174.900 0.078 0.000 1.392 339 G CA 0.445 45.607 45.100 0.104 0.000 0.810 339 G HN 0.631 nan 8.290 nan 0.000 0.508 340 K N -0.409 120.013 120.400 0.038 0.000 2.074 340 K HA -0.153 4.166 4.320 -0.001 0.000 0.209 340 K C 2.552 179.194 176.600 0.071 0.000 1.048 340 K CA 1.689 57.989 56.287 0.022 0.000 0.926 340 K CB -0.268 32.223 32.500 -0.014 0.000 0.713 340 K HN 0.500 nan 8.250 nan 0.000 0.444 341 Q N 0.229 120.091 119.800 0.103 0.000 2.050 341 Q HA -0.099 4.241 4.340 -0.001 0.000 0.202 341 Q C 2.260 178.343 176.000 0.139 0.000 0.980 341 Q CA 1.283 57.167 55.803 0.136 0.000 0.840 341 Q CB -0.375 28.446 28.738 0.138 0.000 0.898 341 Q HN 0.037 nan 8.270 nan 0.000 0.424 342 V N 0.711 120.705 119.914 0.134 0.000 2.323 342 V HA -0.197 3.923 4.120 -0.001 0.000 0.244 342 V C 1.884 178.037 176.094 0.098 0.000 1.041 342 V CA 1.607 63.993 62.300 0.144 0.000 1.025 342 V CB -0.383 31.553 31.823 0.187 0.000 0.656 342 V HN 0.302 nan 8.190 nan 0.000 0.451 343 K N 0.030 120.466 120.400 0.060 0.000 2.280 343 K HA -0.106 4.213 4.320 -0.001 0.000 0.202 343 K C 2.250 178.796 176.600 -0.091 0.000 1.047 343 K CA 1.397 57.645 56.287 -0.064 0.000 0.942 343 K CB -0.186 32.253 32.500 -0.101 0.000 0.739 343 K HN 0.344 nan 8.250 nan 0.000 0.457 344 S N 0.311 115.996 115.700 -0.027 0.000 2.461 344 S HA -0.059 4.410 4.470 -0.001 0.000 0.228 344 S C 1.858 176.373 174.600 -0.141 0.000 1.005 344 S CA 1.066 59.216 58.200 -0.082 0.000 0.942 344 S CB 0.240 63.499 63.200 0.098 0.000 0.776 344 S HN 0.297 nan 8.310 nan 0.000 0.514 345 V N -2.051 117.854 119.914 -0.013 0.000 3.484 345 V HA 0.571 4.690 4.120 -0.001 0.000 0.252 345 V C 0.757 176.851 176.094 0.001 0.000 1.282 345 V CA 0.024 62.330 62.300 0.010 0.000 1.104 345 V CB -0.734 31.163 31.823 0.122 0.000 0.868 345 V HN 0.261 nan 8.190 nan 0.000 0.457 346 A N 2.627 125.452 122.820 0.008 0.000 2.524 346 A HA 0.560 4.880 4.320 -0.001 0.000 0.250 346 A C 0.698 178.249 177.584 -0.056 0.000 1.078 346 A CA 0.730 52.774 52.037 0.011 0.000 0.761 346 A CB -0.325 18.712 19.000 0.061 0.000 1.012 346 A HN 1.012 nan 8.150 nan 0.000 0.500 347 S N 2.273 117.954 115.700 -0.033 0.000 2.585 347 S HA 0.334 4.804 4.470 -0.001 0.000 0.277 347 S C 0.973 175.541 174.600 -0.052 0.000 1.241 347 S CA -0.129 58.036 58.200 -0.059 0.000 1.041 347 S CB 1.495 64.673 63.200 -0.036 0.000 0.987 347 S HN 1.186 nan 8.310 nan 0.000 0.512 348 V N 3.328 123.190 119.914 -0.087 0.000 2.392 348 V HA -0.059 4.060 4.120 -0.001 0.000 0.249 348 V C 2.241 178.347 176.094 0.019 0.000 1.059 348 V CA 2.743 65.013 62.300 -0.051 0.000 1.051 348 V CB -1.357 30.391 31.823 -0.124 0.000 0.658 348 V HN 1.096 nan 8.190 nan 0.000 0.455 349 G N -0.695 108.100 108.800 -0.009 0.000 2.421 349 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.216 349 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.216 349 G C 1.621 176.551 174.900 0.049 0.000 1.171 349 G CA 0.779 45.886 45.100 0.011 0.000 0.775 349 G HN 0.681 nan 8.290 nan 0.000 0.543 350 G N 0.738 109.558 108.800 0.035 0.000 2.475 350 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.220 350 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.220 350 G C 1.665 176.622 174.900 0.095 0.000 1.125 350 G CA 1.334 46.464 45.100 0.048 0.000 0.755 350 G HN 0.552 nan 8.290 nan 0.000 0.565 351 N N -0.054 118.724 118.700 0.131 0.000 2.300 351 N HA 0.060 4.800 4.740 -0.001 0.000 0.179 351 N C 2.147 177.785 175.510 0.213 0.000 1.016 351 N CA 0.558 53.720 53.050 0.186 0.000 0.876 351 N CB -0.124 38.510 38.487 0.245 0.000 0.979 351 N HN 0.384 nan 8.380 nan 0.000 0.432 352 I N 0.150 120.863 120.570 0.240 0.000 2.233 352 I HA -0.180 3.990 4.170 -0.001 0.000 0.243 352 I C 1.422 177.749 176.117 0.349 0.000 1.093 352 I CA 0.658 62.158 61.300 0.333 0.000 1.380 352 I CB -0.155 37.993 38.000 0.247 0.000 1.067 352 I HN 0.176 nan 8.210 nan 0.000 0.413 353 I N 0.392 121.090 120.570 0.214 0.000 2.546 353 I HA -0.163 4.007 4.170 -0.001 0.000 0.255 353 I C 2.530 178.716 176.117 0.115 0.000 1.163 353 I CA 1.378 62.773 61.300 0.159 0.000 1.457 353 I CB -1.698 36.345 38.000 0.073 0.000 1.092 353 I HN 0.206 nan 8.210 nan 0.000 0.434 354 T N 1.432 116.043 114.554 0.096 0.000 2.803 354 T HA -0.081 4.268 4.350 -0.001 0.000 0.269 354 T C 1.312 176.027 174.700 0.025 0.000 1.052 354 T CA 1.240 63.366 62.100 0.043 0.000 1.136 354 T CB -0.326 68.569 68.868 0.046 0.000 0.864 354 T HN 0.548 nan 8.240 nan 0.000 0.467 355 A N 1.493 124.368 122.820 0.091 0.000 2.640 355 A HA -0.147 4.173 4.320 -0.001 0.000 0.300 355 A C 0.885 178.380 177.584 -0.148 0.000 1.499 355 A CA 0.705 52.754 52.037 0.020 0.000 0.759 355 A CB -2.110 16.997 19.000 0.178 0.000 1.048 355 A HN 0.505 nan 8.150 nan 0.000 0.450 356 S N -0.343 115.286 115.700 -0.119 0.000 2.548 356 S HA 0.504 4.974 4.470 -0.001 0.000 0.277 356 S C -0.547 173.969 174.600 -0.140 0.000 1.315 356 S CA -0.832 57.292 58.200 -0.127 0.000 1.050 356 S CB 0.685 63.843 63.200 -0.070 0.000 0.918 356 S HN 0.293 nan 8.310 nan 0.000 0.497 357 P HA -0.076 nan 4.420 nan 0.000 0.220 357 P C 0.546 177.805 177.300 -0.069 0.000 1.144 357 P CA 0.904 63.968 63.100 -0.060 0.000 0.800 357 P CB -0.126 31.595 31.700 0.034 0.000 0.772 358 I N -5.362 115.167 120.570 -0.068 0.000 3.877 358 I HA 0.268 4.437 4.170 -0.001 0.000 0.332 358 I C 0.421 176.488 176.117 -0.082 0.000 1.525 358 I CA -1.296 59.964 61.300 -0.068 0.000 1.146 358 I CB -0.989 36.970 38.000 -0.068 0.000 1.137 358 I HN -0.288 nan 8.210 nan 0.000 0.424 359 S N 1.108 116.758 115.700 -0.085 0.000 2.558 359 S HA 0.008 4.478 4.470 -0.001 0.000 0.288 359 S C 0.914 175.478 174.600 -0.059 0.000 1.318 359 S CA 0.212 58.374 58.200 -0.062 0.000 1.056 359 S CB 0.325 63.502 63.200 -0.038 0.000 0.853 359 S HN 0.456 nan 8.310 nan 0.000 0.505 360 D N 3.404 123.776 120.400 -0.048 0.000 2.327 360 D HA 0.089 4.728 4.640 -0.001 0.000 0.205 360 D C 1.624 177.891 176.300 -0.055 0.000 0.989 360 D CA 0.634 54.614 54.000 -0.034 0.000 0.873 360 D CB 0.146 40.939 40.800 -0.013 0.000 0.955 360 D HN 0.521 nan 8.370 nan 0.000 0.515 361 L N 0.580 121.767 121.223 -0.060 0.000 2.249 361 L HA 0.026 4.366 4.340 -0.001 0.000 0.207 361 L C 2.009 178.606 176.870 -0.455 0.000 1.090 361 L CA 0.295 54.913 54.840 -0.371 0.000 0.802 361 L CB -0.165 41.682 42.059 -0.354 0.000 0.947 361 L HN -0.141 nan 8.230 nan 0.000 0.453 362 N N 0.435 119.092 118.700 -0.071 0.000 2.149 362 N HA -0.136 4.603 4.740 -0.001 0.000 0.188 362 N C -0.837 174.739 175.510 0.109 0.000 1.019 362 N CA 1.449 54.580 53.050 0.134 0.000 0.857 362 N CB -1.152 37.382 38.487 0.079 0.000 0.997 362 N HN 0.245 nan 8.380 nan 0.000 0.426 363 P HA -0.010 nan 4.420 nan 0.000 0.217 363 P C 1.769 179.100 177.300 0.053 0.000 1.151 363 P CA 0.511 63.625 63.100 0.023 0.000 0.828 363 P CB 0.212 31.884 31.700 -0.046 0.000 0.788 364 V N -1.089 118.821 119.914 -0.007 0.000 2.343 364 V HA -0.224 3.895 4.120 -0.001 0.000 0.247 364 V C 2.060 178.279 176.094 0.208 0.000 1.051 364 V CA 1.767 64.159 62.300 0.153 0.000 1.036 364 V CB -1.284 30.518 31.823 -0.035 0.000 0.654 364 V HN -0.015 nan 8.190 nan 0.000 0.451 365 F N -1.013 119.005 119.950 0.113 0.000 2.234 365 F HA -0.101 4.426 4.527 -0.001 0.000 0.299 365 F C 2.256 178.098 175.800 0.070 0.000 1.087 365 F CA 1.359 59.391 58.000 0.053 0.000 1.340 365 F CB -0.785 38.236 39.000 0.035 0.000 1.031 365 F HN 0.108 nan 8.300 nan 0.000 0.500 366 M N -0.230 119.556 119.600 0.310 0.000 2.098 366 M HA -0.099 4.380 4.480 -0.001 0.000 0.262 366 M C 2.449 178.869 176.300 0.200 0.000 1.072 366 M CA 1.837 57.282 55.300 0.243 0.000 1.133 366 M CB -0.286 32.476 32.600 0.270 0.000 1.344 366 M HN 0.078 nan 8.290 nan 0.000 0.414 367 A N 0.171 123.117 122.820 0.210 0.000 1.908 367 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 367 A C 2.146 179.895 177.584 0.276 0.000 1.181 367 A CA 2.443 54.610 52.037 0.217 0.000 0.627 367 A CB -1.186 17.922 19.000 0.180 0.000 0.818 367 A HN 0.727 nan 8.150 nan 0.000 0.445 368 S N -1.527 114.351 115.700 0.297 0.000 2.522 368 S HA 0.332 4.801 4.470 -0.001 0.000 0.227 368 S C 1.346 175.984 174.600 0.063 0.000 0.986 368 S CA 0.989 59.260 58.200 0.120 0.000 0.929 368 S CB -0.698 62.440 63.200 -0.104 0.000 0.769 368 S HN 2.047 nan 8.310 nan 0.000 0.529 369 G N 1.435 110.284 108.800 0.082 0.000 2.298 369 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.287 369 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.287 369 G C 0.154 175.036 174.900 -0.030 0.000 1.075 369 G CA -0.094 45.020 45.100 0.024 0.000 0.960 369 G HN 1.253 nan 8.290 nan 0.000 0.502 370 A N 0.091 122.888 122.820 -0.038 0.000 2.511 370 A HA 0.523 4.842 4.320 -0.001 0.000 0.242 370 A C 0.852 178.321 177.584 -0.192 0.000 1.069 370 A CA 0.411 52.374 52.037 -0.124 0.000 0.763 370 A CB 0.382 19.255 19.000 -0.212 0.000 1.001 370 A HN 0.518 nan 8.150 nan 0.000 0.498 371 K N 2.067 122.360 120.400 -0.178 0.000 2.297 371 K HA 0.427 4.746 4.320 -0.001 0.000 0.286 371 K C -0.878 175.591 176.600 -0.219 0.000 1.053 371 K CA 0.123 56.304 56.287 -0.178 0.000 0.940 371 K CB 0.642 33.065 32.500 -0.129 0.000 1.019 371 K HN 0.597 nan 8.250 nan 0.000 0.475 372 L N 2.441 123.519 121.223 -0.241 0.000 2.317 372 L HA 0.379 4.718 4.340 -0.001 0.000 0.281 372 L C -0.055 176.725 176.870 -0.150 0.000 1.024 372 L CA -0.794 53.905 54.840 -0.236 0.000 0.810 372 L CB 1.920 43.776 42.059 -0.339 0.000 1.240 372 L HN 0.541 nan 8.230 nan 0.000 0.427 373 T N 4.273 118.756 114.554 -0.117 0.000 2.788 373 T HA 0.552 4.902 4.350 -0.001 0.000 0.296 373 T C -0.137 174.529 174.700 -0.058 0.000 1.009 373 T CA -0.414 61.638 62.100 -0.081 0.000 0.949 373 T CB 0.748 69.568 68.868 -0.079 0.000 0.946 373 T HN 0.273 nan 8.240 nan 0.000 0.453 374 L N 3.960 125.160 121.223 -0.038 0.000 2.322 374 L HA 0.897 5.236 4.340 -0.001 0.000 0.279 374 L C 0.017 176.872 176.870 -0.024 0.000 1.036 374 L CA -1.248 53.580 54.840 -0.020 0.000 0.807 374 L CB 1.399 43.461 42.059 0.004 0.000 1.226 374 L HN 0.420 nan 8.230 nan 0.000 0.433 375 V N -0.472 119.427 119.914 -0.025 0.000 3.049 375 V HA 0.922 5.041 4.120 -0.001 0.000 0.309 375 V C -0.420 175.659 176.094 -0.026 0.000 1.148 375 V CA -0.414 61.870 62.300 -0.026 0.000 0.990 375 V CB 1.822 33.628 31.823 -0.029 0.000 1.039 375 V HN 0.906 nan 8.190 nan 0.000 0.430 376 S N 2.060 117.745 115.700 -0.025 0.000 2.720 376 S HA 0.654 5.123 4.470 -0.001 0.000 0.287 376 S C -0.462 174.123 174.600 -0.026 0.000 1.168 376 S CA -1.032 57.152 58.200 -0.026 0.000 0.832 376 S CB 1.825 65.010 63.200 -0.026 0.000 1.166 376 S HN 1.198 nan 8.310 nan 0.000 0.493 377 R N 0.229 120.713 120.500 -0.027 0.000 2.402 377 R HA 0.424 4.764 4.340 -0.001 0.000 0.331 377 R C 1.300 177.586 176.300 -0.024 0.000 1.040 377 R CA 1.415 57.500 56.100 -0.026 0.000 0.980 377 R CB -0.849 29.434 30.300 -0.029 0.000 0.967 377 R HN 1.324 nan 8.270 nan 0.000 0.440 378 G N 2.385 111.172 108.800 -0.022 0.000 2.349 378 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.213 378 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.213 378 G C 0.203 175.091 174.900 -0.020 0.000 1.044 378 G CA 0.128 45.215 45.100 -0.020 0.000 0.633 378 G HN 0.768 nan 8.290 nan 0.000 0.506 379 T N -1.851 112.691 114.554 -0.021 0.000 2.897 379 T HA 0.746 5.095 4.350 -0.001 0.000 0.278 379 T C -0.142 174.544 174.700 -0.022 0.000 0.981 379 T CA 0.302 62.390 62.100 -0.021 0.000 0.973 379 T CB 2.432 71.288 68.868 -0.020 0.000 1.092 379 T HN 1.001 nan 8.240 nan 0.000 0.543 380 R N 0.689 121.175 120.500 -0.023 0.000 2.937 380 R HA 0.344 4.683 4.340 -0.001 0.000 0.273 380 R C -1.419 174.865 176.300 -0.026 0.000 1.176 380 R CA -0.635 55.450 56.100 -0.026 0.000 1.132 380 R CB 1.044 31.327 30.300 -0.027 0.000 1.270 380 R HN 1.090 nan 8.270 nan 0.000 0.425 381 R N 0.879 121.362 120.500 -0.028 0.000 2.799 381 R HA 0.631 4.970 4.340 -0.001 0.000 0.270 381 R C -1.487 174.791 176.300 -0.037 0.000 1.010 381 R CA -0.926 55.157 56.100 -0.028 0.000 0.916 381 R CB 2.283 32.570 30.300 -0.021 0.000 1.228 381 R HN 0.266 nan 8.270 nan 0.000 0.469 382 T N 1.566 116.095 114.554 -0.042 0.000 2.890 382 T HA 0.422 4.771 4.350 -0.001 0.000 0.295 382 T C -0.823 173.841 174.700 -0.061 0.000 0.993 382 T CA -0.693 61.372 62.100 -0.059 0.000 0.979 382 T CB 1.396 70.227 68.868 -0.061 0.000 0.967 382 T HN 0.541 nan 8.240 nan 0.000 0.441 383 V N 2.220 122.085 119.914 -0.082 0.000 2.715 383 V HA 0.717 4.836 4.120 -0.001 0.000 0.310 383 V C -0.496 175.512 176.094 -0.143 0.000 1.054 383 V CA -1.140 61.108 62.300 -0.086 0.000 0.928 383 V CB 1.895 33.688 31.823 -0.049 0.000 1.007 383 V HN 0.813 nan 8.190 nan 0.000 0.437 384 Q N 3.703 123.435 119.800 -0.113 0.000 2.296 384 Q HA 0.491 4.830 4.340 -0.001 0.000 0.257 384 Q C -0.150 175.760 176.000 -0.150 0.000 0.942 384 Q CA -0.464 55.266 55.803 -0.122 0.000 0.939 384 Q CB 1.427 30.126 28.738 -0.066 0.000 1.198 384 Q HN 0.951 nan 8.270 nan 0.000 0.429 385 M N 4.348 123.810 119.600 -0.231 0.000 2.252 385 M HA 0.072 4.551 4.480 -0.001 0.000 0.348 385 M C -1.115 175.156 176.300 -0.049 0.000 1.334 385 M CA 0.665 55.807 55.300 -0.262 0.000 1.071 385 M CB 0.164 32.560 32.600 -0.340 0.000 1.763 385 M HN 0.847 nan 8.290 nan 0.000 0.452 386 D N 1.990 122.396 120.400 0.010 0.000 2.867 386 D HA 0.156 4.796 4.640 -0.001 0.000 0.308 386 D C 0.766 177.151 176.300 0.142 0.000 1.202 386 D CA -0.329 53.727 54.000 0.093 0.000 1.035 386 D CB 0.039 40.876 40.800 0.062 0.000 1.427 386 D HN 0.676 nan 8.370 nan 0.000 0.570 387 H N -1.278 117.891 119.070 0.166 0.000 2.456 387 H HA -0.102 4.454 4.556 -0.001 0.000 0.296 387 H C 1.287 176.731 175.328 0.192 0.000 1.079 387 H CA 2.089 58.257 56.048 0.200 0.000 1.322 387 H CB -0.724 29.127 29.762 0.148 0.000 1.388 387 H HN 0.511 nan 8.280 nan 0.000 0.538 388 T N -2.217 112.003 114.554 -0.557 0.000 3.023 388 T HA -0.124 4.225 4.350 -0.001 0.000 0.266 388 T C 1.851 176.478 174.700 -0.122 0.000 1.093 388 T CA 0.333 62.240 62.100 -0.321 0.000 1.129 388 T CB -0.956 67.702 68.868 -0.351 0.000 0.899 388 T HN 0.241 nan 8.240 nan 0.000 0.491 389 F N 1.976 121.765 119.950 -0.269 0.000 2.192 389 F HA 0.145 4.672 4.527 -0.001 0.000 0.301 389 F C -0.070 175.394 175.800 -0.561 0.000 1.079 389 F CA 0.169 57.905 58.000 -0.440 0.000 1.303 389 F CB -0.353 38.283 39.000 -0.606 0.000 1.024 389 F HN 0.156 nan 8.300 nan 0.000 0.494 390 F N 1.188 121.119 119.950 -0.031 0.000 2.291 390 F HA 0.347 4.873 4.527 -0.001 0.000 0.368 390 F C -1.581 174.198 175.800 -0.036 0.000 1.085 390 F CA -2.750 55.205 58.000 -0.074 0.000 1.165 390 F CB 0.310 39.341 39.000 0.051 0.000 1.429 390 F HN -0.204 nan 8.300 nan 0.000 0.503 391 P HA 0.032 nan 4.420 nan 0.000 0.216 391 P C 0.791 178.145 177.300 0.089 0.000 1.153 391 P CA 1.055 64.177 63.100 0.037 0.000 0.848 391 P CB 0.453 32.139 31.700 -0.023 0.000 0.787 392 G N -3.201 105.663 108.800 0.107 0.000 2.664 392 G HA2 0.235 4.194 3.960 -0.001 0.000 0.303 392 G HA3 0.235 4.194 3.960 -0.001 0.000 0.303 392 G C -1.693 173.308 174.900 0.169 0.000 1.243 392 G CA -0.529 44.651 45.100 0.134 0.000 0.826 392 G HN -0.138 nan 8.290 nan 0.000 0.498 393 Y N 2.620 122.946 120.300 0.043 0.000 2.745 393 Y HA 0.240 4.789 4.550 -0.001 0.000 0.335 393 Y C 1.619 177.547 175.900 0.045 0.000 1.212 393 Y CA 0.504 58.625 58.100 0.036 0.000 1.535 393 Y CB 0.159 38.637 38.460 0.030 0.000 1.220 393 Y HN 0.554 nan 8.280 nan 0.000 0.531 394 R N 2.292 122.575 120.500 -0.362 0.000 3.847 394 R HA -0.266 4.073 4.340 -0.001 0.000 0.304 394 R C -0.499 175.756 176.300 -0.076 0.000 1.203 394 R CA 1.016 56.945 56.100 -0.286 0.000 0.835 394 R CB -1.770 28.273 30.300 -0.428 0.000 1.253 394 R HN 0.673 nan 8.270 nan 0.000 0.516 395 K N 0.308 120.709 120.400 0.002 0.000 2.211 395 K HA 0.585 4.904 4.320 -0.001 0.000 0.237 395 K C 0.623 177.198 176.600 -0.041 0.000 1.002 395 K CA -0.159 56.122 56.287 -0.010 0.000 0.885 395 K CB 1.770 34.268 32.500 -0.003 0.000 1.136 395 K HN 0.207 nan 8.250 nan 0.000 0.448 396 T N -2.978 111.451 114.554 -0.209 0.000 2.762 396 T HA 0.280 4.630 4.350 -0.001 0.000 0.301 396 T C 0.814 175.185 174.700 -0.549 0.000 1.299 396 T CA -0.914 60.837 62.100 -0.581 0.000 1.005 396 T CB 0.413 68.891 68.868 -0.651 0.000 1.377 396 T HN 0.385 nan 8.240 nan 0.000 0.504 397 L N 0.078 120.800 121.223 -0.836 0.000 2.275 397 L HA 0.100 4.439 4.340 -0.001 0.000 0.215 397 L C 0.844 177.587 176.870 -0.212 0.000 1.119 397 L CA 0.376 54.974 54.840 -0.403 0.000 0.790 397 L CB -0.407 41.495 42.059 -0.261 0.000 0.919 397 L HN 0.463 nan 8.230 nan 0.000 0.443 398 L N 0.493 121.592 121.223 -0.207 0.000 2.529 398 L HA -0.050 4.289 4.340 -0.001 0.000 0.287 398 L C 0.937 177.760 176.870 -0.078 0.000 1.241 398 L CA 0.807 55.594 54.840 -0.087 0.000 0.857 398 L CB 0.228 42.250 42.059 -0.062 0.000 1.113 398 L HN 0.248 nan 8.230 nan 0.000 0.504 399 S N 3.099 118.770 115.700 -0.049 0.000 2.687 399 S HA 0.468 4.937 4.470 -0.001 0.000 0.283 399 S C -1.529 173.050 174.600 -0.035 0.000 1.170 399 S CA -1.174 57.001 58.200 -0.041 0.000 1.008 399 S CB 1.495 64.676 63.200 -0.032 0.000 1.026 399 S HN 0.554 nan 8.310 nan 0.000 0.541 400 P HA -0.113 nan 4.420 nan 0.000 0.218 400 P C 0.519 177.805 177.300 -0.023 0.000 1.146 400 P CA 1.341 64.428 63.100 -0.022 0.000 0.813 400 P CB 0.025 31.718 31.700 -0.012 0.000 0.778 401 E N -0.303 119.883 120.200 -0.025 0.000 2.318 401 E HA 0.022 4.372 4.350 -0.001 0.000 0.193 401 E C 0.753 177.335 176.600 -0.029 0.000 0.998 401 E CA 0.387 56.771 56.400 -0.027 0.000 0.859 401 E CB -0.326 29.358 29.700 -0.027 0.000 0.812 401 E HN 0.499 nan 8.360 nan 0.000 0.492 402 E N 0.455 120.638 120.200 -0.028 0.000 2.349 402 E HA 0.370 4.720 4.350 -0.001 0.000 0.265 402 E C -0.189 176.394 176.600 -0.028 0.000 1.064 402 E CA -0.424 55.960 56.400 -0.026 0.000 0.886 402 E CB 1.025 30.712 29.700 -0.022 0.000 1.036 402 E HN 0.054 nan 8.360 nan 0.000 0.413 403 I N -1.378 119.176 120.570 -0.026 0.000 2.934 403 I HA 0.352 4.521 4.170 -0.001 0.000 0.306 403 I C -1.168 174.938 176.117 -0.019 0.000 1.110 403 I CA -1.331 59.952 61.300 -0.028 0.000 1.019 403 I CB 0.951 38.927 38.000 -0.040 0.000 1.227 403 I HN 0.271 nan 8.210 nan 0.000 0.434 404 L N 3.652 124.868 121.223 -0.013 0.000 2.360 404 L HA 0.354 4.693 4.340 -0.001 0.000 0.276 404 L C 0.381 177.231 176.870 -0.032 0.000 1.121 404 L CA 0.168 55.001 54.840 -0.013 0.000 0.845 404 L CB 1.035 43.095 42.059 0.002 0.000 1.143 404 L HN 0.885 nan 8.230 nan 0.000 0.452 405 L N 3.860 125.058 121.223 -0.042 0.000 2.200 405 L HA 0.375 4.714 4.340 -0.001 0.000 0.200 405 L C 0.469 177.304 176.870 -0.057 0.000 1.072 405 L CA 1.219 56.031 54.840 -0.047 0.000 0.787 405 L CB 0.087 42.117 42.059 -0.048 0.000 0.957 405 L HN 0.866 nan 8.230 nan 0.000 0.459 406 S N -1.639 114.015 115.700 -0.076 0.000 2.567 406 S HA 0.609 5.079 4.470 -0.001 0.000 0.270 406 S C -1.086 173.438 174.600 -0.127 0.000 1.152 406 S CA -0.891 57.257 58.200 -0.087 0.000 0.835 406 S CB 1.067 64.212 63.200 -0.091 0.000 1.115 406 S HN -0.039 nan 8.310 nan 0.000 0.459 407 I N 1.197 121.689 120.570 -0.130 0.000 2.509 407 I HA 0.562 4.731 4.170 -0.001 0.000 0.293 407 I C -0.207 175.823 176.117 -0.145 0.000 1.020 407 I CA -0.364 60.811 61.300 -0.210 0.000 1.088 407 I CB 1.892 39.673 38.000 -0.365 0.000 1.267 407 I HN 0.879 nan 8.210 nan 0.000 0.430 408 E N 6.440 126.535 120.200 -0.175 0.000 2.114 408 E HA 0.469 4.819 4.350 -0.001 0.000 0.266 408 E C -1.095 175.443 176.600 -0.104 0.000 0.896 408 E CA -0.511 55.805 56.400 -0.140 0.000 0.750 408 E CB 0.877 30.490 29.700 -0.145 0.000 1.121 408 E HN 0.537 nan 8.360 nan 0.000 0.413 409 I N 6.762 127.329 120.570 -0.006 0.000 2.396 409 I HA 0.188 4.357 4.170 -0.001 0.000 0.289 409 I C -2.037 174.148 176.117 0.114 0.000 1.056 409 I CA -2.162 59.203 61.300 0.109 0.000 1.365 409 I CB 0.651 38.808 38.000 0.262 0.000 1.407 409 I HN 0.360 nan 8.210 nan 0.000 0.509 410 P HA 0.021 nan 4.420 nan 0.000 0.268 410 P C -0.763 176.384 177.300 -0.256 0.000 1.205 410 P CA 0.116 63.147 63.100 -0.115 0.000 0.771 410 P CB 0.309 31.951 31.700 -0.097 0.000 0.858 411 Y N 0.272 120.458 120.300 -0.190 0.000 2.258 411 Y HA 0.260 4.810 4.550 -0.001 0.000 0.345 411 Y C 1.526 177.226 175.900 -0.334 0.000 1.303 411 Y CA 0.183 58.055 58.100 -0.379 0.000 1.537 411 Y CB 0.274 38.614 38.460 -0.200 0.000 1.383 411 Y HN 0.213 nan 8.280 nan 0.000 0.606 412 S N 0.773 116.396 115.700 -0.129 0.000 2.451 412 S HA 0.534 5.003 4.470 -0.001 0.000 0.301 412 S C -0.426 174.112 174.600 -0.104 0.000 1.116 412 S CA -0.817 57.300 58.200 -0.139 0.000 1.093 412 S CB 0.329 63.433 63.200 -0.160 0.000 1.017 412 S HN 0.585 nan 8.310 nan 0.000 0.482 413 R N 2.051 122.490 120.500 -0.103 0.000 2.543 413 R HA 0.321 4.661 4.340 -0.001 0.000 0.268 413 R C -0.139 176.079 176.300 -0.137 0.000 1.067 413 R CA -0.822 55.218 56.100 -0.101 0.000 1.142 413 R CB 0.367 30.618 30.300 -0.081 0.000 1.110 413 R HN 0.603 nan 8.270 nan 0.000 0.549 414 E N 0.629 120.763 120.200 -0.110 0.000 2.376 414 E HA 0.059 4.408 4.350 -0.001 0.000 0.266 414 E C 0.802 177.314 176.600 -0.148 0.000 1.009 414 E CA 0.684 57.017 56.400 -0.111 0.000 0.902 414 E CB 0.842 30.503 29.700 -0.065 0.000 0.972 414 E HN 0.866 nan 8.360 nan 0.000 0.439 415 G N 3.203 111.861 108.800 -0.236 0.000 2.147 415 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.244 415 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.244 415 G C 0.143 174.765 174.900 -0.464 0.000 1.005 415 G CA 0.570 45.520 45.100 -0.250 0.000 0.713 415 G HN 0.485 nan 8.290 nan 0.000 0.515 416 E N -0.213 119.581 120.200 -0.676 0.000 2.191 416 E HA 0.672 5.022 4.350 -0.001 0.000 0.263 416 E C -0.817 175.397 176.600 -0.642 0.000 0.881 416 E CA -1.013 55.074 56.400 -0.521 0.000 0.757 416 E CB 0.991 30.551 29.700 -0.234 0.000 1.147 416 E HN 0.214 nan 8.360 nan 0.000 0.414 417 Y N 2.752 123.069 120.300 0.029 0.000 2.524 417 Y HA 0.609 5.159 4.550 -0.001 0.000 0.344 417 Y C -0.848 175.217 175.900 0.276 0.000 1.012 417 Y CA -1.083 57.066 58.100 0.081 0.000 1.068 417 Y CB 1.536 39.966 38.460 -0.050 0.000 1.249 417 Y HN 0.484 nan 8.280 nan 0.000 0.468 418 F N 0.432 120.555 119.950 0.289 0.000 2.581 418 F HA 0.710 5.236 4.527 -0.001 0.000 0.311 418 F C -0.783 175.135 175.800 0.197 0.000 1.113 418 F CA -0.338 57.805 58.000 0.238 0.000 0.935 418 F CB 1.792 40.837 39.000 0.075 0.000 1.232 418 F HN 0.422 nan 8.300 nan 0.000 0.445 419 S N 2.679 118.216 115.700 -0.272 0.000 2.570 419 S HA 0.943 5.413 4.470 -0.001 0.000 0.286 419 S C -1.282 172.824 174.600 -0.823 0.000 1.099 419 S CA -0.582 57.408 58.200 -0.350 0.000 0.913 419 S CB 1.878 65.064 63.200 -0.024 0.000 1.085 419 S HN 0.869 nan 8.310 nan 0.000 0.480 420 A N 1.686 123.970 122.820 -0.893 0.000 2.401 420 A HA 0.939 5.258 4.320 -0.001 0.000 0.310 420 A C -1.671 175.193 177.584 -1.200 0.000 1.075 420 A CA -0.490 51.089 52.037 -0.763 0.000 0.746 420 A CB 0.707 19.544 19.000 -0.272 0.000 1.277 420 A HN 0.579 nan 8.150 nan 0.000 0.425 421 F N 0.186 119.873 119.950 -0.439 0.000 2.599 421 F HA 0.767 5.293 4.527 -0.001 0.000 0.311 421 F C 0.005 175.478 175.800 -0.545 0.000 1.076 421 F CA -0.530 57.048 58.000 -0.703 0.000 0.937 421 F CB 2.671 40.706 39.000 -1.609 0.000 1.282 421 F HN 0.588 nan 8.300 nan 0.000 0.460 422 K N 1.976 122.253 120.400 -0.205 0.000 2.575 422 K HA 0.503 4.823 4.320 -0.001 0.000 0.255 422 K C -2.074 174.577 176.600 0.085 0.000 0.953 422 K CA -0.631 55.647 56.287 -0.015 0.000 0.840 422 K CB 1.947 34.449 32.500 0.003 0.000 1.303 422 K HN 0.608 nan 8.250 nan 0.000 0.438 423 Q N 2.973 122.889 119.800 0.193 0.000 2.274 423 Q HA 0.716 5.055 4.340 -0.001 0.000 0.268 423 Q C -1.841 174.202 176.000 0.071 0.000 1.015 423 Q CA -0.265 55.620 55.803 0.137 0.000 0.775 423 Q CB 2.147 31.009 28.738 0.207 0.000 1.256 423 Q HN 0.747 nan 8.270 nan 0.000 0.442 424 A N 1.918 124.758 122.820 0.034 0.000 3.884 424 A HA 0.735 5.055 4.320 -0.001 0.000 0.170 424 A C 0.211 177.835 177.584 0.066 0.000 0.825 424 A CA 0.315 52.375 52.037 0.040 0.000 0.978 424 A CB 0.288 19.282 19.000 -0.010 0.000 1.566 424 A HN 0.637 nan 8.150 nan 0.000 0.770 425 S N -0.996 114.719 115.700 0.025 0.000 2.502 425 S HA 0.236 4.705 4.470 -0.001 0.000 0.228 425 S C 0.912 175.491 174.600 -0.036 0.000 1.061 425 S CA 0.239 58.449 58.200 0.016 0.000 0.935 425 S CB 0.084 63.292 63.200 0.013 0.000 0.809 425 S HN 0.561 nan 8.310 nan 0.000 0.510 426 R N 0.651 121.110 120.500 -0.068 0.000 2.807 426 R HA 0.461 4.801 4.340 -0.001 0.000 0.276 426 R C 0.662 176.868 176.300 -0.156 0.000 0.979 426 R CA -0.678 55.357 56.100 -0.109 0.000 0.928 426 R CB 1.061 31.304 30.300 -0.096 0.000 1.191 426 R HN -0.023 nan 8.270 nan 0.000 0.471 427 R N 0.872 121.221 120.500 -0.251 0.000 2.073 427 R HA -0.084 4.255 4.340 -0.001 0.000 0.234 427 R C -0.180 176.054 176.300 -0.110 0.000 1.134 427 R CA 1.463 57.307 56.100 -0.427 0.000 0.952 427 R CB -0.023 29.837 30.300 -0.732 0.000 0.850 427 R HN 0.554 nan 8.270 nan 0.000 0.433 428 E N 0.967 121.178 120.200 0.018 0.000 2.313 428 E HA 0.010 4.359 4.350 -0.001 0.000 0.276 428 E C -0.677 175.978 176.600 0.092 0.000 1.031 428 E CA -0.093 56.395 56.400 0.147 0.000 0.857 428 E CB 0.715 30.489 29.700 0.123 0.000 1.040 428 E HN 0.051 nan 8.360 nan 0.000 0.408 429 D N 1.988 122.461 120.400 0.122 0.000 2.980 429 D HA -0.226 4.414 4.640 -0.001 0.000 0.218 429 D C -1.194 175.125 176.300 0.031 0.000 1.225 429 D CA 0.933 54.981 54.000 0.079 0.000 0.804 429 D CB -0.477 40.379 40.800 0.093 0.000 0.906 429 D HN 0.347 nan 8.370 nan 0.000 0.396 430 D N 0.529 120.933 120.400 0.006 0.000 2.559 430 D HA 0.480 5.120 4.640 -0.001 0.000 0.250 430 D C -0.170 176.099 176.300 -0.052 0.000 1.135 430 D CA -0.688 53.299 54.000 -0.021 0.000 0.955 430 D CB 1.171 41.956 40.800 -0.025 0.000 1.442 430 D HN 0.192 nan 8.370 nan 0.000 0.471 431 I N 1.344 121.886 120.570 -0.047 0.000 2.395 431 I HA 0.423 4.592 4.170 -0.001 0.000 0.289 431 I C 0.751 176.837 176.117 -0.052 0.000 1.023 431 I CA -0.855 60.404 61.300 -0.068 0.000 1.350 431 I CB 1.400 39.369 38.000 -0.051 0.000 1.409 431 I HN 0.369 nan 8.210 nan 0.000 0.507 432 A N 6.372 129.154 122.820 -0.064 0.000 2.511 432 A HA 0.081 4.401 4.320 -0.001 0.000 0.242 432 A C 1.155 178.721 177.584 -0.031 0.000 1.069 432 A CA 0.018 52.036 52.037 -0.033 0.000 0.763 432 A CB 0.371 19.353 19.000 -0.029 0.000 1.001 432 A HN 0.759 nan 8.150 nan 0.000 0.498 433 K N 0.817 121.209 120.400 -0.014 0.000 2.166 433 K HA 0.231 4.551 4.320 -0.001 0.000 0.201 433 K C -0.355 176.198 176.600 -0.078 0.000 1.052 433 K CA 1.055 57.315 56.287 -0.045 0.000 0.969 433 K CB 0.275 32.773 32.500 -0.003 0.000 0.761 433 K HN 0.532 nan 8.250 nan 0.000 0.459 434 V N 0.496 120.397 119.914 -0.020 0.000 2.697 434 V HA 0.184 4.303 4.120 -0.001 0.000 0.300 434 V C -0.780 175.463 176.094 0.247 0.000 1.115 434 V CA -0.834 61.504 62.300 0.064 0.000 0.912 434 V CB 1.899 33.691 31.823 -0.051 0.000 1.024 434 V HN 0.097 nan 8.190 nan 0.000 0.431 435 T N 2.778 117.448 114.554 0.192 0.000 2.907 435 T HA 0.850 5.200 4.350 -0.001 0.000 0.292 435 T C -0.883 173.866 174.700 0.081 0.000 1.043 435 T CA -0.053 62.112 62.100 0.109 0.000 1.003 435 T CB 1.856 70.733 68.868 0.016 0.000 1.084 435 T HN 1.022 nan 8.240 nan 0.000 0.483 436 S N 1.361 117.016 115.700 -0.076 0.000 2.567 436 S HA 0.760 5.229 4.470 -0.001 0.000 0.270 436 S C -1.008 173.423 174.600 -0.281 0.000 1.152 436 S CA -0.222 57.847 58.200 -0.217 0.000 0.835 436 S CB 1.335 64.302 63.200 -0.388 0.000 1.115 436 S HN 1.208 nan 8.310 nan 0.000 0.459 437 G N 2.134 110.719 108.800 -0.358 0.000 2.666 437 G HA2 0.653 4.613 3.960 -0.001 0.000 0.303 437 G HA3 0.653 4.613 3.960 -0.001 0.000 0.303 437 G C -1.232 173.274 174.900 -0.657 0.000 1.412 437 G CA -0.596 44.219 45.100 -0.475 0.000 0.979 437 G HN 0.650 nan 8.290 nan 0.000 0.507 438 M N 1.787 120.766 119.600 -1.035 0.000 2.395 438 M HA 0.583 5.062 4.480 -0.001 0.000 0.307 438 M C -0.251 175.383 176.300 -1.109 0.000 1.091 438 M CA -0.762 53.867 55.300 -1.119 0.000 0.919 438 M CB 3.303 34.898 32.600 -1.674 0.000 1.662 438 M HN 0.474 nan 8.290 nan 0.000 0.440 439 R N 1.446 121.695 120.500 -0.419 0.000 2.673 439 R HA 0.858 5.197 4.340 -0.001 0.000 0.281 439 R C -2.186 174.276 176.300 0.271 0.000 0.991 439 R CA -0.699 55.473 56.100 0.119 0.000 0.896 439 R CB 2.654 33.120 30.300 0.276 0.000 1.201 439 R HN 0.622 nan 8.270 nan 0.000 0.457 440 V N 5.286 125.340 119.914 0.233 0.000 2.808 440 V HA 0.540 4.659 4.120 -0.001 0.000 0.308 440 V C -1.833 174.064 176.094 -0.329 0.000 1.099 440 V CA -0.828 61.415 62.300 -0.096 0.000 0.920 440 V CB 1.966 33.540 31.823 -0.416 0.000 1.014 440 V HN 0.670 nan 8.190 nan 0.000 0.425 441 L N 7.131 128.139 121.223 -0.359 0.000 2.343 441 L HA 0.719 5.058 4.340 -0.001 0.000 0.278 441 L C -1.165 175.489 176.870 -0.360 0.000 0.996 441 L CA 0.058 54.716 54.840 -0.303 0.000 0.831 441 L CB 1.271 43.255 42.059 -0.125 0.000 1.232 441 L HN 0.539 nan 8.230 nan 0.000 0.413 442 F N 3.431 123.331 119.950 -0.083 0.000 2.378 442 F HA 0.483 5.010 4.527 -0.001 0.000 0.325 442 F C 0.836 176.625 175.800 -0.019 0.000 1.097 442 F CA -0.577 57.401 58.000 -0.036 0.000 1.079 442 F CB 0.659 39.630 39.000 -0.047 0.000 1.240 442 F HN 0.276 nan 8.300 nan 0.000 0.519 443 K N 2.750 123.293 120.400 0.237 0.000 2.412 443 K HA 0.165 4.484 4.320 -0.001 0.000 0.281 443 K C -2.455 174.210 176.600 0.109 0.000 1.027 443 K CA -1.604 54.761 56.287 0.131 0.000 0.989 443 K CB 0.559 33.130 32.500 0.119 0.000 0.935 443 K HN 0.200 nan 8.250 nan 0.000 0.475 444 P HA -0.138 nan 4.420 nan 0.000 0.261 444 P C 0.578 177.896 177.300 0.030 0.000 1.158 444 P CA 1.160 64.283 63.100 0.038 0.000 0.758 444 P CB 0.304 32.017 31.700 0.021 0.000 0.763 445 G N 1.715 110.524 108.800 0.015 0.000 2.228 445 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.270 445 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.270 445 G C 0.500 175.394 174.900 -0.010 0.000 0.976 445 G CA 0.940 46.040 45.100 -0.000 0.000 0.636 445 G HN 0.842 nan 8.290 nan 0.000 0.542 446 T N -3.685 110.871 114.554 0.003 0.000 2.844 446 T HA 0.677 5.026 4.350 -0.001 0.000 0.274 446 T C 0.979 175.628 174.700 -0.086 0.000 0.991 446 T CA 0.926 63.021 62.100 -0.008 0.000 0.983 446 T CB 1.727 70.623 68.868 0.046 0.000 1.310 446 T HN 0.917 nan 8.240 nan 0.000 0.596 447 T N -1.955 112.553 114.554 -0.077 0.000 3.252 447 T HA 0.314 4.664 4.350 -0.001 0.000 0.286 447 T C 0.052 174.847 174.700 0.158 0.000 1.013 447 T CA -0.542 61.413 62.100 -0.242 0.000 0.914 447 T CB -0.665 68.088 68.868 -0.192 0.000 1.131 447 T HN 0.889 nan 8.240 nan 0.000 0.529 448 E N 1.267 121.637 120.200 0.284 0.000 2.156 448 E HA 0.529 4.878 4.350 -0.001 0.000 0.279 448 E C -0.615 176.252 176.600 0.445 0.000 0.965 448 E CA -0.964 55.648 56.400 0.354 0.000 0.789 448 E CB 1.540 31.366 29.700 0.210 0.000 1.098 448 E HN 0.007 nan 8.360 nan 0.000 0.397 449 V N 4.001 124.177 119.914 0.436 0.000 2.644 449 V HA -0.147 3.973 4.120 -0.001 0.000 0.305 449 V C 1.225 177.397 176.094 0.131 0.000 1.053 449 V CA 0.841 63.271 62.300 0.217 0.000 1.186 449 V CB 0.708 32.696 31.823 0.275 0.000 0.895 449 V HN 0.942 nan 8.190 nan 0.000 0.490 450 Q N 3.165 122.988 119.800 0.039 0.000 2.442 450 Q HA 0.216 4.556 4.340 -0.001 0.000 0.228 450 Q C 0.206 176.222 176.000 0.027 0.000 0.902 450 Q CA 0.460 56.289 55.803 0.044 0.000 0.933 450 Q CB 0.718 29.475 28.738 0.033 0.000 1.071 450 Q HN 0.880 nan 8.270 nan 0.000 0.562 451 E N 0.168 120.362 120.200 -0.010 0.000 2.356 451 E HA 0.482 4.831 4.350 -0.001 0.000 0.275 451 E C -1.947 174.669 176.600 0.026 0.000 0.904 451 E CA -0.721 55.688 56.400 0.016 0.000 0.757 451 E CB 2.523 32.228 29.700 0.008 0.000 1.232 451 E HN -0.007 nan 8.360 nan 0.000 0.442 452 L N 1.404 122.679 121.223 0.087 0.000 2.505 452 L HA 0.710 5.049 4.340 -0.001 0.000 0.266 452 L C -1.973 174.976 176.870 0.132 0.000 0.954 452 L CA -0.259 54.674 54.840 0.155 0.000 0.852 452 L CB 1.941 44.145 42.059 0.241 0.000 1.282 452 L HN 0.680 nan 8.230 nan 0.000 0.403 453 A N 6.112 129.004 122.820 0.119 0.000 2.385 453 A HA 0.788 5.107 4.320 -0.001 0.000 0.290 453 A C -1.693 175.887 177.584 -0.008 0.000 1.094 453 A CA -0.341 51.739 52.037 0.071 0.000 0.729 453 A CB 0.856 19.903 19.000 0.078 0.000 1.194 453 A HN 0.612 nan 8.150 nan 0.000 0.442 454 L N 2.410 123.639 121.223 0.010 0.000 2.318 454 L HA 0.447 4.787 4.340 -0.001 0.000 0.277 454 L C -0.862 175.962 176.870 -0.075 0.000 1.008 454 L CA -0.449 54.343 54.840 -0.082 0.000 0.846 454 L CB 1.372 43.485 42.059 0.090 0.000 1.220 454 L HN 0.668 nan 8.230 nan 0.000 0.423 455 C N 2.370 121.524 119.300 -0.243 0.000 2.456 455 C HA 0.731 5.191 4.460 -0.001 0.000 0.325 455 C C -0.393 174.423 174.990 -0.290 0.000 1.217 455 C CA -0.802 58.156 59.018 -0.101 0.000 1.687 455 C CB 0.949 28.688 27.740 -0.003 0.000 2.270 455 C HN 0.535 nan 8.230 nan 0.000 0.499 456 Y N 0.257 120.572 120.300 0.025 0.000 2.576 456 Y HA 0.715 5.264 4.550 -0.001 0.000 0.346 456 Y C 0.577 176.474 175.900 -0.005 0.000 1.018 456 Y CA -0.405 57.706 58.100 0.018 0.000 1.050 456 Y CB 1.812 40.283 38.460 0.018 0.000 1.280 456 Y HN 0.837 nan 8.280 nan 0.000 0.474 457 G N -0.903 107.997 108.800 0.167 0.000 2.481 457 G HA2 0.479 4.438 3.960 -0.001 0.000 0.315 457 G HA3 0.479 4.438 3.960 -0.001 0.000 0.315 457 G C 0.400 175.328 174.900 0.046 0.000 1.231 457 G CA -0.541 44.592 45.100 0.054 0.000 0.968 457 G HN 1.307 nan 8.290 nan 0.000 0.482 458 G N 0.317 109.110 108.800 -0.010 0.000 2.179 458 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.260 458 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.260 458 G C 0.968 175.823 174.900 -0.075 0.000 0.977 458 G CA 0.845 45.916 45.100 -0.049 0.000 0.641 458 G HN 0.548 nan 8.290 nan 0.000 0.533 459 M N -0.065 119.505 119.600 -0.050 0.000 2.333 459 M HA 0.671 5.150 4.480 -0.001 0.000 0.257 459 M C 0.939 177.195 176.300 -0.072 0.000 1.078 459 M CA 0.739 55.983 55.300 -0.094 0.000 1.005 459 M CB -0.141 32.383 32.600 -0.126 0.000 1.444 459 M HN 1.226 nan 8.290 nan 0.000 0.496 460 A N -0.193 122.601 122.820 -0.043 0.000 2.775 460 A HA 0.357 4.676 4.320 -0.001 0.000 0.305 460 A C 0.445 178.033 177.584 0.008 0.000 1.082 460 A CA -0.216 51.807 52.037 -0.023 0.000 0.591 460 A CB -0.150 18.850 19.000 0.000 0.000 1.472 460 A HN 0.111 nan 8.150 nan 0.000 0.636 461 N N -0.449 118.273 118.700 0.036 0.000 2.192 461 N HA -0.124 4.615 4.740 -0.001 0.000 0.188 461 N C 0.555 176.154 175.510 0.149 0.000 1.013 461 N CA 2.468 55.581 53.050 0.106 0.000 0.863 461 N CB -0.187 38.363 38.487 0.106 0.000 0.990 461 N HN 0.654 nan 8.380 nan 0.000 0.430 462 R N -3.823 116.715 120.500 0.062 0.000 3.034 462 R HA 0.360 4.700 4.340 -0.001 0.000 0.264 462 R C -1.050 175.216 176.300 -0.057 0.000 1.030 462 R CA -0.734 55.349 56.100 -0.028 0.000 0.903 462 R CB -0.515 29.760 30.300 -0.042 0.000 1.414 462 R HN -0.308 nan 8.270 nan 0.000 0.429 463 T N 2.078 116.512 114.554 -0.200 0.000 2.784 463 T HA 0.411 4.760 4.350 -0.001 0.000 0.291 463 T C 0.455 175.202 174.700 0.078 0.000 0.942 463 T CA -0.023 62.012 62.100 -0.107 0.000 1.161 463 T CB -0.739 67.970 68.868 -0.264 0.000 0.885 463 T HN 0.424 nan 8.240 nan 0.000 0.534 464 I N -0.372 120.272 120.570 0.124 0.000 3.133 464 I HA 0.869 5.038 4.170 -0.001 0.000 0.311 464 I C -0.131 176.101 176.117 0.192 0.000 1.072 464 I CA -1.099 60.305 61.300 0.172 0.000 1.015 464 I CB 2.284 40.359 38.000 0.125 0.000 1.233 464 I HN 0.408 nan 8.210 nan 0.000 0.473 465 S N 1.345 117.149 115.700 0.174 0.000 2.500 465 S HA 0.706 5.176 4.470 -0.001 0.000 0.301 465 S C -0.088 174.571 174.600 0.099 0.000 1.092 465 S CA -0.543 57.746 58.200 0.148 0.000 1.030 465 S CB 1.583 64.871 63.200 0.146 0.000 1.031 465 S HN 0.900 nan 8.310 nan 0.000 0.483 466 A N 5.813 128.710 122.820 0.128 0.000 3.051 466 A HA 0.323 4.642 4.320 -0.001 0.000 0.257 466 A C 1.223 178.824 177.584 0.029 0.000 1.785 466 A CA -0.213 51.871 52.037 0.078 0.000 1.420 466 A CB -1.009 18.064 19.000 0.122 0.000 1.063 466 A HN 0.921 nan 8.150 nan 0.000 0.630 467 L N -0.647 120.571 121.223 -0.008 0.000 2.012 467 L HA -0.210 4.129 4.340 -0.001 0.000 0.210 467 L C 2.343 179.197 176.870 -0.025 0.000 1.073 467 L CA 1.391 56.211 54.840 -0.034 0.000 0.748 467 L CB -0.345 41.641 42.059 -0.122 0.000 0.891 467 L HN 0.336 nan 8.230 nan 0.000 0.431 468 K N -0.431 119.950 120.400 -0.032 0.000 2.147 468 K HA -0.106 4.214 4.320 -0.001 0.000 0.205 468 K C 2.064 178.651 176.600 -0.022 0.000 1.049 468 K CA 1.508 57.779 56.287 -0.026 0.000 0.936 468 K CB -0.603 31.880 32.500 -0.029 0.000 0.722 468 K HN 0.239 nan 8.250 nan 0.000 0.446 469 T N -0.420 114.118 114.554 -0.026 0.000 2.939 469 T HA -0.064 4.285 4.350 -0.001 0.000 0.254 469 T C 1.782 176.469 174.700 -0.022 0.000 1.041 469 T CA 1.515 63.591 62.100 -0.039 0.000 1.142 469 T CB -0.267 68.560 68.868 -0.068 0.000 0.874 469 T HN 0.470 nan 8.240 nan 0.000 0.452 470 T N 0.687 115.245 114.554 0.006 0.000 2.962 470 T HA -0.058 4.292 4.350 -0.001 0.000 0.270 470 T C 1.923 176.654 174.700 0.052 0.000 1.088 470 T CA 0.575 62.702 62.100 0.046 0.000 1.127 470 T CB -0.204 68.708 68.868 0.074 0.000 0.883 470 T HN 0.090 nan 8.240 nan 0.000 0.493 471 Q N 1.564 121.382 119.800 0.031 0.000 2.020 471 Q HA 0.018 4.358 4.340 -0.001 0.000 0.202 471 Q C 2.561 178.583 176.000 0.037 0.000 0.982 471 Q CA 1.387 57.209 55.803 0.033 0.000 0.838 471 Q CB -0.394 28.354 28.738 0.017 0.000 0.899 471 Q HN 0.596 nan 8.270 nan 0.000 0.423 472 R N 0.480 120.993 120.500 0.022 0.000 2.249 472 R HA -0.123 4.216 4.340 -0.001 0.000 0.230 472 R C 1.747 178.073 176.300 0.042 0.000 1.121 472 R CA 0.824 56.938 56.100 0.022 0.000 0.997 472 R CB 0.120 30.420 30.300 0.000 0.000 0.867 472 R HN 0.314 nan 8.270 nan 0.000 0.465 473 Q N 0.173 120.011 119.800 0.064 0.000 2.392 473 Q HA 0.128 4.468 4.340 -0.001 0.000 0.203 473 Q C 0.443 176.530 176.000 0.145 0.000 0.917 473 Q CA 0.216 56.084 55.803 0.110 0.000 0.939 473 Q CB 0.324 29.148 28.738 0.143 0.000 1.063 473 Q HN 0.328 nan 8.270 nan 0.000 0.516 474 L N 2.211 123.502 121.223 0.113 0.000 2.513 474 L HA -0.029 4.311 4.340 -0.001 0.000 0.272 474 L C 1.020 177.957 176.870 0.112 0.000 1.187 474 L CA 0.710 55.617 54.840 0.112 0.000 0.895 474 L CB 0.129 42.238 42.059 0.082 0.000 1.147 474 L HN 0.365 nan 8.230 nan 0.000 0.483 475 S N 0.705 116.485 115.700 0.133 0.000 2.488 475 S HA -0.184 4.286 4.470 -0.001 0.000 0.258 475 S C 0.259 174.949 174.600 0.151 0.000 1.281 475 S CA 0.788 59.065 58.200 0.128 0.000 1.334 475 S CB -0.967 62.289 63.200 0.093 0.000 1.647 475 S HN 0.632 nan 8.310 nan 0.000 0.635 476 K N 1.314 121.820 120.400 0.176 0.000 2.168 476 K HA 0.753 5.072 4.320 -0.001 0.000 0.258 476 K C -0.019 176.744 176.600 0.272 0.000 1.010 476 K CA -0.477 55.923 56.287 0.187 0.000 0.929 476 K CB 0.261 32.861 32.500 0.168 0.000 0.998 476 K HN 0.297 nan 8.250 nan 0.000 0.479 477 L N 1.318 122.690 121.223 0.249 0.000 2.399 477 L HA 0.268 4.607 4.340 -0.001 0.000 0.265 477 L C -0.282 176.842 176.870 0.424 0.000 1.089 477 L CA -0.055 54.971 54.840 0.310 0.000 0.802 477 L CB 0.722 42.903 42.059 0.202 0.000 1.180 477 L HN 0.595 nan 8.230 nan 0.000 0.454 478 W N 5.219 126.679 121.300 0.266 0.000 1.836 478 W HA 0.200 4.859 4.660 -0.001 0.000 0.449 478 W C -0.436 176.268 176.519 0.307 0.000 0.787 478 W CA -0.272 57.279 57.345 0.342 0.000 1.729 478 W CB 0.105 29.756 29.460 0.317 0.000 1.802 478 W HN 0.523 nan 8.180 nan 0.000 0.257 479 K N 0.922 121.477 120.400 0.259 0.000 2.439 479 K HA 0.062 4.382 4.320 -0.001 0.000 0.260 479 K C 0.783 177.467 176.600 0.141 0.000 1.032 479 K CA -0.762 55.663 56.287 0.230 0.000 0.882 479 K CB 1.690 34.285 32.500 0.157 0.000 1.420 479 K HN -0.083 nan 8.250 nan 0.000 0.455 480 E N 1.650 121.934 120.200 0.140 0.000 2.114 480 E HA -0.257 4.093 4.350 -0.001 0.000 0.199 480 E C 0.944 177.509 176.600 -0.058 0.000 1.008 480 E CA 2.111 58.519 56.400 0.013 0.000 0.810 480 E CB 0.056 29.797 29.700 0.067 0.000 0.739 480 E HN 0.582 nan 8.360 nan 0.000 0.456 481 E N 0.015 120.210 120.200 -0.009 0.000 2.114 481 E HA -0.226 4.123 4.350 -0.001 0.000 0.199 481 E C 2.283 178.853 176.600 -0.050 0.000 1.008 481 E CA 1.442 57.831 56.400 -0.018 0.000 0.810 481 E CB -0.364 29.346 29.700 0.015 0.000 0.739 481 E HN 0.393 nan 8.360 nan 0.000 0.456 482 L N 0.701 121.887 121.223 -0.061 0.000 2.131 482 L HA -0.079 4.261 4.340 -0.001 0.000 0.206 482 L C 2.306 179.066 176.870 -0.184 0.000 1.087 482 L CA 0.471 55.255 54.840 -0.093 0.000 0.767 482 L CB -0.036 41.989 42.059 -0.056 0.000 0.917 482 L HN 0.142 nan 8.230 nan 0.000 0.441 483 L N 0.208 121.248 121.223 -0.306 0.000 1.989 483 L HA -0.291 4.048 4.340 -0.001 0.000 0.211 483 L C 2.474 179.246 176.870 -0.163 0.000 1.071 483 L CA 1.998 56.638 54.840 -0.333 0.000 0.749 483 L CB -0.750 40.908 42.059 -0.668 0.000 0.890 483 L HN 0.370 nan 8.230 nan 0.000 0.431 484 Q N -0.789 118.920 119.800 -0.152 0.000 2.077 484 Q HA -0.274 4.066 4.340 -0.001 0.000 0.206 484 Q C 2.115 178.047 176.000 -0.113 0.000 0.989 484 Q CA 1.989 57.721 55.803 -0.119 0.000 0.853 484 Q CB -0.476 28.201 28.738 -0.102 0.000 0.907 484 Q HN 0.646 nan 8.270 nan 0.000 0.418 485 D N -0.088 120.245 120.400 -0.112 0.000 2.123 485 D HA -0.147 4.493 4.640 -0.001 0.000 0.196 485 D C 1.868 178.078 176.300 -0.150 0.000 0.992 485 D CA 1.113 55.049 54.000 -0.106 0.000 0.833 485 D CB 0.190 40.942 40.800 -0.081 0.000 0.954 485 D HN 0.064 nan 8.370 nan 0.000 0.455 486 V N 0.627 120.401 119.914 -0.233 0.000 2.295 486 V HA -0.286 3.833 4.120 -0.001 0.000 0.246 486 V C 2.974 178.884 176.094 -0.306 0.000 1.049 486 V CA 1.552 63.612 62.300 -0.398 0.000 1.024 486 V CB -0.710 30.551 31.823 -0.936 0.000 0.648 486 V HN 0.369 nan 8.190 nan 0.000 0.447 487 C N 0.266 119.452 119.300 -0.190 0.000 2.413 487 C HA -0.111 4.349 4.460 -0.001 0.000 0.276 487 C C 3.119 178.065 174.990 -0.074 0.000 1.236 487 C CA 0.881 59.861 59.018 -0.064 0.000 1.735 487 C CB -1.365 26.409 27.740 0.056 0.000 2.031 487 C HN 0.642 nan 8.230 nan 0.000 0.474 488 A N 0.612 123.380 122.820 -0.086 0.000 1.902 488 A HA 0.073 4.392 4.320 -0.001 0.000 0.217 488 A C 2.394 179.932 177.584 -0.077 0.000 1.181 488 A CA 2.064 54.057 52.037 -0.074 0.000 0.623 488 A CB -1.197 17.759 19.000 -0.074 0.000 0.818 488 A HN 0.557 nan 8.150 nan 0.000 0.443 489 G N -0.097 108.645 108.800 -0.098 0.000 2.418 489 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.217 489 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.217 489 G C 1.558 176.402 174.900 -0.092 0.000 1.158 489 G CA 1.045 46.089 45.100 -0.092 0.000 0.771 489 G HN 0.431 nan 8.290 nan 0.000 0.545 490 L N 0.697 121.850 121.223 -0.117 0.000 2.027 490 L HA -0.037 4.302 4.340 -0.001 0.000 0.206 490 L C 3.421 180.223 176.870 -0.114 0.000 1.074 490 L CA 1.014 55.777 54.840 -0.129 0.000 0.745 490 L CB -0.532 41.436 42.059 -0.151 0.000 0.898 490 L HN 0.293 nan 8.230 nan 0.000 0.433 491 A N -0.355 122.415 122.820 -0.084 0.000 1.978 491 A HA -0.266 4.053 4.320 -0.001 0.000 0.220 491 A C 2.314 179.899 177.584 0.001 0.000 1.170 491 A CA 2.123 54.133 52.037 -0.045 0.000 0.636 491 A CB -0.446 18.539 19.000 -0.026 0.000 0.810 491 A HN 0.544 nan 8.150 nan 0.000 0.448 492 E N -0.676 119.509 120.200 -0.025 0.000 2.075 492 E HA -0.132 4.218 4.350 -0.001 0.000 0.190 492 E C 2.000 178.590 176.600 -0.017 0.000 0.969 492 E CA 0.835 57.222 56.400 -0.023 0.000 0.815 492 E CB -0.190 29.481 29.700 -0.047 0.000 0.776 492 E HN 0.726 nan 8.360 nan 0.000 0.457 493 E N 0.267 120.444 120.200 -0.038 0.000 2.208 493 E HA -0.100 4.249 4.350 -0.001 0.000 0.193 493 E C 1.527 178.102 176.600 -0.041 0.000 0.988 493 E CA 0.618 56.995 56.400 -0.038 0.000 0.828 493 E CB 0.195 29.867 29.700 -0.047 0.000 0.763 493 E HN 0.306 nan 8.360 nan 0.000 0.478 494 L N 0.689 121.872 121.223 -0.065 0.000 2.959 494 L HA 0.184 4.524 4.340 -0.001 0.000 0.259 494 L C 0.782 177.604 176.870 -0.080 0.000 1.185 494 L CA -0.558 54.220 54.840 -0.103 0.000 0.998 494 L CB 0.102 42.026 42.059 -0.226 0.000 1.337 494 L HN 0.202 nan 8.230 nan 0.000 0.555 495 H N 2.296 121.302 119.070 -0.107 0.000 3.038 495 H HA 0.126 4.681 4.556 -0.001 0.000 0.338 495 H C -0.782 174.497 175.328 -0.081 0.000 1.041 495 H CA 0.728 56.721 56.048 -0.091 0.000 1.394 495 H CB 0.763 30.483 29.762 -0.070 0.000 1.357 495 H HN 0.117 nan 8.280 nan 0.000 0.600 496 L N 7.937 128.871 121.223 -0.482 0.000 2.322 496 L HA 0.329 4.668 4.340 -0.001 0.000 0.281 496 L C -1.959 174.780 176.870 -0.218 0.000 1.014 496 L CA -2.069 52.621 54.840 -0.251 0.000 0.815 496 L CB 2.108 44.027 42.059 -0.234 0.000 1.247 496 L HN 0.565 nan 8.230 nan 0.000 0.421 497 P HA 0.147 nan 4.420 nan 0.000 0.271 497 P C -2.364 174.935 177.300 -0.001 0.000 1.218 497 P CA -1.379 61.750 63.100 0.048 0.000 0.780 497 P CB 0.550 32.278 31.700 0.047 0.000 0.901 498 P HA -0.202 nan 4.420 nan 0.000 0.217 498 P C 0.689 178.007 177.300 0.029 0.000 1.148 498 P CA 1.712 64.824 63.100 0.021 0.000 0.834 498 P CB -0.245 31.478 31.700 0.037 0.000 0.783 499 D N -1.483 118.937 120.400 0.033 0.000 2.340 499 D HA 0.148 4.787 4.640 -0.001 0.000 0.220 499 D C 0.507 176.833 176.300 0.043 0.000 1.039 499 D CA -0.252 53.779 54.000 0.051 0.000 0.866 499 D CB -0.940 39.888 40.800 0.047 0.000 0.913 499 D HN 0.064 nan 8.370 nan 0.000 0.523 500 A N 1.112 123.931 122.820 -0.001 0.000 2.561 500 A HA 0.293 4.612 4.320 -0.001 0.000 0.234 500 A C -2.167 175.369 177.584 -0.080 0.000 1.055 500 A CA -0.738 51.269 52.037 -0.050 0.000 0.756 500 A CB -0.253 18.691 19.000 -0.093 0.000 0.986 500 A HN 0.087 nan 8.150 nan 0.000 0.505 501 P HA 0.371 nan 4.420 nan 0.000 0.271 501 P C 1.036 177.917 177.300 -0.699 0.000 1.220 501 P CA 1.466 64.359 63.100 -0.344 0.000 0.768 501 P CB 1.002 32.558 31.700 -0.240 0.000 0.848 502 G N 2.022 109.893 108.800 -1.549 0.000 2.279 502 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.223 502 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.223 502 G C 0.645 175.078 174.900 -0.778 0.000 1.015 502 G CA 0.244 44.430 45.100 -1.523 0.000 0.621 502 G HN 0.981 nan 8.290 nan 0.000 0.506 503 G N -0.060 108.549 108.800 -0.319 0.000 2.601 503 G HA2 0.037 3.997 3.960 -0.001 0.000 0.252 503 G HA3 0.037 3.997 3.960 -0.001 0.000 0.252 503 G C 0.725 175.575 174.900 -0.083 0.000 1.294 503 G CA 0.811 45.878 45.100 -0.055 0.000 0.912 503 G HN 1.826 nan 8.290 nan 0.000 0.574 504 M N -1.239 118.359 119.600 -0.004 0.000 2.302 504 M HA -0.269 4.211 4.480 -0.001 0.000 0.200 504 M C 1.703 178.015 176.300 0.021 0.000 0.366 504 M CA 0.986 56.315 55.300 0.049 0.000 0.440 504 M CB -2.127 30.543 32.600 0.117 0.000 1.475 504 M HN 1.797 nan 8.290 nan 0.000 0.905 505 V N -2.755 117.136 119.914 -0.037 0.000 2.295 505 V HA -0.204 3.916 4.120 -0.001 0.000 0.246 505 V C 1.783 177.815 176.094 -0.104 0.000 1.049 505 V CA 2.218 64.454 62.300 -0.108 0.000 1.024 505 V CB -0.376 31.358 31.823 -0.148 0.000 0.648 505 V HN 0.447 nan 8.190 nan 0.000 0.447 506 D N 0.194 120.568 120.400 -0.044 0.000 2.116 506 D HA -0.175 4.464 4.640 -0.001 0.000 0.193 506 D C 1.829 178.144 176.300 0.025 0.000 0.998 506 D CA 1.871 55.859 54.000 -0.020 0.000 0.836 506 D CB -0.516 40.297 40.800 0.022 0.000 0.951 506 D HN 0.542 nan 8.370 nan 0.000 0.449 507 F N 1.806 121.697 119.950 -0.100 0.000 2.102 507 F HA -0.114 4.413 4.527 -0.001 0.000 0.298 507 F C 2.220 177.926 175.800 -0.156 0.000 1.105 507 F CA 1.398 59.333 58.000 -0.108 0.000 1.239 507 F CB -0.214 38.738 39.000 -0.081 0.000 0.991 507 F HN -0.175 nan 8.300 nan 0.000 0.474 508 R N -0.761 119.564 120.500 -0.292 0.000 2.081 508 R HA -0.181 4.159 4.340 -0.001 0.000 0.235 508 R C 2.328 178.389 176.300 -0.399 0.000 1.131 508 R CA 1.746 57.587 56.100 -0.432 0.000 0.960 508 R CB -1.125 29.006 30.300 -0.282 0.000 0.856 508 R HN 0.359 nan 8.270 nan 0.000 0.436 509 C N -0.380 118.741 119.300 -0.299 0.000 2.466 509 C HA -0.035 4.424 4.460 -0.001 0.000 0.278 509 C C 2.698 177.521 174.990 -0.279 0.000 1.288 509 C CA 0.844 59.692 59.018 -0.284 0.000 1.722 509 C CB -0.810 26.796 27.740 -0.223 0.000 2.017 509 C HN 0.529 nan 8.230 nan 0.000 0.488 510 T N 1.986 116.403 114.554 -0.229 0.000 2.665 510 T HA -0.191 4.158 4.350 -0.001 0.000 0.268 510 T C 1.689 176.166 174.700 -0.370 0.000 1.035 510 T CA 1.443 63.425 62.100 -0.197 0.000 1.151 510 T CB -0.427 68.392 68.868 -0.081 0.000 0.862 510 T HN 0.472 nan 8.240 nan 0.000 0.438 511 L N 1.214 122.103 121.223 -0.557 0.000 2.079 511 L HA -0.146 4.193 4.340 -0.001 0.000 0.210 511 L C 3.072 179.437 176.870 -0.841 0.000 1.081 511 L CA 1.664 55.972 54.840 -0.886 0.000 0.752 511 L CB -1.145 40.260 42.059 -1.090 0.000 0.896 511 L HN 0.498 nan 8.230 nan 0.000 0.433 512 T N -2.281 111.971 114.554 -0.503 0.000 2.867 512 T HA -0.128 4.221 4.350 -0.001 0.000 0.268 512 T C 1.751 176.384 174.700 -0.111 0.000 1.057 512 T CA 0.941 62.869 62.100 -0.286 0.000 1.136 512 T CB -0.369 68.115 68.868 -0.640 0.000 0.874 512 T HN 0.263 nan 8.240 nan 0.000 0.466 513 L N 0.642 121.741 121.223 -0.207 0.000 2.162 513 L HA 0.095 4.434 4.340 -0.001 0.000 0.205 513 L C 3.048 179.717 176.870 -0.335 0.000 1.086 513 L CA 0.881 55.648 54.840 -0.120 0.000 0.778 513 L CB -0.813 41.225 42.059 -0.035 0.000 0.928 513 L HN 0.265 nan 8.230 nan 0.000 0.446 514 S N 0.118 115.474 115.700 -0.573 0.000 2.399 514 S HA -0.086 4.384 4.470 -0.001 0.000 0.231 514 S C 1.833 176.190 174.600 -0.406 0.000 1.022 514 S CA 1.182 58.942 58.200 -0.733 0.000 0.983 514 S CB -0.225 62.593 63.200 -0.636 0.000 0.803 514 S HN 0.203 nan 8.310 nan 0.000 0.480 515 F N 0.746 120.450 119.950 -0.410 0.000 2.128 515 F HA 0.093 4.620 4.527 -0.001 0.000 0.295 515 F C 1.944 177.403 175.800 -0.568 0.000 1.100 515 F CA -0.305 57.262 58.000 -0.721 0.000 1.260 515 F CB -1.288 37.330 39.000 -0.636 0.000 1.009 515 F HN 0.194 nan 8.300 nan 0.000 0.476 516 F N -0.037 119.884 119.950 -0.050 0.000 2.095 516 F HA -0.280 4.246 4.527 -0.001 0.000 0.298 516 F C 2.457 178.364 175.800 0.178 0.000 1.104 516 F CA 1.264 59.334 58.000 0.116 0.000 1.232 516 F CB -0.887 38.206 39.000 0.155 0.000 0.987 516 F HN -0.032 nan 8.300 nan 0.000 0.475 517 F N 1.628 121.475 119.950 -0.172 0.000 2.120 517 F HA -0.249 4.278 4.527 -0.001 0.000 0.300 517 F C 2.236 177.928 175.800 -0.180 0.000 1.095 517 F CA 2.069 59.934 58.000 -0.224 0.000 1.249 517 F CB -0.771 37.891 39.000 -0.563 0.000 0.995 517 F HN -0.051 nan 8.300 nan 0.000 0.480 518 K N -1.183 119.012 120.400 -0.342 0.000 2.097 518 K HA -0.183 4.136 4.320 -0.001 0.000 0.205 518 K C 2.120 178.690 176.600 -0.051 0.000 1.050 518 K CA 1.458 57.575 56.287 -0.283 0.000 0.938 518 K CB -0.660 31.752 32.500 -0.146 0.000 0.718 518 K HN 0.294 nan 8.250 nan 0.000 0.442 519 F N 1.093 120.944 119.950 -0.165 0.000 2.134 519 F HA -0.258 4.268 4.527 -0.001 0.000 0.299 519 F C 2.210 177.986 175.800 -0.040 0.000 1.097 519 F CA 1.169 59.161 58.000 -0.014 0.000 1.264 519 F CB -0.627 38.339 39.000 -0.057 0.000 1.001 519 F HN 0.027 nan 8.300 nan 0.000 0.479 520 Y N 0.823 120.901 120.300 -0.371 0.000 2.049 520 Y HA -0.271 4.279 4.550 -0.001 0.000 0.277 520 Y C 2.218 178.092 175.900 -0.044 0.000 1.143 520 Y CA 2.323 60.291 58.100 -0.220 0.000 1.115 520 Y CB -0.908 37.319 38.460 -0.389 0.000 0.975 520 Y HN 0.097 nan 8.280 nan 0.000 0.487 521 L N -0.841 120.194 121.223 -0.314 0.000 2.042 521 L HA -0.280 4.060 4.340 -0.001 0.000 0.210 521 L C 2.357 179.077 176.870 -0.251 0.000 1.076 521 L CA 1.931 56.571 54.840 -0.334 0.000 0.749 521 L CB -1.094 40.759 42.059 -0.343 0.000 0.893 521 L HN 0.260 nan 8.230 nan 0.000 0.432 522 T N -0.562 113.868 114.554 -0.207 0.000 2.720 522 T HA -0.160 4.190 4.350 -0.001 0.000 0.268 522 T C 1.986 176.502 174.700 -0.307 0.000 1.037 522 T CA 1.363 63.352 62.100 -0.185 0.000 1.144 522 T CB -0.191 68.625 68.868 -0.086 0.000 0.864 522 T HN 0.072 nan 8.240 nan 0.000 0.444 523 V N 1.400 121.075 119.914 -0.398 0.000 2.515 523 V HA -0.078 4.041 4.120 -0.001 0.000 0.250 523 V C 2.428 178.258 176.094 -0.439 0.000 1.058 523 V CA 1.226 63.198 62.300 -0.547 0.000 1.064 523 V CB -0.631 30.759 31.823 -0.721 0.000 0.675 523 V HN 0.456 nan 8.190 nan 0.000 0.461 524 L N -0.584 120.472 121.223 -0.279 0.000 2.042 524 L HA -0.268 4.072 4.340 -0.001 0.000 0.210 524 L C 2.675 179.411 176.870 -0.223 0.000 1.076 524 L CA 1.780 56.490 54.840 -0.217 0.000 0.749 524 L CB -0.599 41.323 42.059 -0.229 0.000 0.893 524 L HN 0.386 nan 8.230 nan 0.000 0.432 525 Q N -0.081 119.585 119.800 -0.224 0.000 2.079 525 Q HA -0.207 4.133 4.340 -0.001 0.000 0.200 525 Q C 2.226 178.087 176.000 -0.232 0.000 0.974 525 Q CA 1.347 57.040 55.803 -0.184 0.000 0.840 525 Q CB -0.035 28.617 28.738 -0.144 0.000 0.898 525 Q HN 0.435 nan 8.270 nan 0.000 0.430 526 K N 0.506 120.686 120.400 -0.367 0.000 2.147 526 K HA -0.092 4.227 4.320 -0.001 0.000 0.205 526 K C 1.952 178.313 176.600 -0.398 0.000 1.049 526 K CA 0.834 56.836 56.287 -0.474 0.000 0.936 526 K CB -0.012 31.912 32.500 -0.960 0.000 0.722 526 K HN 0.164 nan 8.250 nan 0.000 0.446 527 L N -0.215 120.771 121.223 -0.396 0.000 2.217 527 L HA -0.069 4.270 4.340 -0.001 0.000 0.211 527 L C 2.398 179.167 176.870 -0.169 0.000 1.107 527 L CA 0.911 55.592 54.840 -0.265 0.000 0.783 527 L CB -0.524 41.341 42.059 -0.322 0.000 0.919 527 L HN 0.325 nan 8.230 nan 0.000 0.442 528 G N -0.853 107.852 108.800 -0.159 0.000 2.408 528 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.217 528 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.217 528 G C 1.479 176.330 174.900 -0.082 0.000 1.150 528 G CA 0.243 45.279 45.100 -0.106 0.000 0.776 528 G HN 0.258 nan 8.290 nan 0.000 0.542 529 Q N 0.261 120.009 119.800 -0.086 0.000 2.291 529 Q HA 0.027 4.366 4.340 -0.001 0.000 0.205 529 Q C 1.944 177.922 176.000 -0.037 0.000 0.970 529 Q CA 0.705 56.475 55.803 -0.054 0.000 0.876 529 Q CB 0.122 28.831 28.738 -0.049 0.000 0.935 529 Q HN 0.401 nan 8.270 nan 0.000 0.455 530 E N 0.218 120.392 120.200 -0.042 0.000 2.465 530 E HA 0.048 4.397 4.350 -0.001 0.000 0.191 530 E C -0.308 176.267 176.600 -0.041 0.000 1.053 530 E CA -0.087 56.297 56.400 -0.027 0.000 0.869 530 E CB 0.053 29.745 29.700 -0.013 0.000 0.977 530 E HN 0.269 nan 8.360 nan 0.000 0.483 531 N N 0.540 119.212 118.700 -0.047 0.000 2.721 531 N HA -0.205 4.535 4.740 -0.001 0.000 0.249 531 N C -0.149 175.331 175.510 -0.050 0.000 1.072 531 N CA 0.404 53.428 53.050 -0.044 0.000 0.710 531 N CB -1.175 37.293 38.487 -0.032 0.000 0.993 531 N HN 0.137 nan 8.380 nan 0.000 0.547 532 L N 0.694 121.875 121.223 -0.071 0.000 3.110 532 L HA 0.122 4.461 4.340 -0.001 0.000 0.266 532 L C 1.954 178.772 176.870 -0.086 0.000 1.257 532 L CA 0.089 54.879 54.840 -0.083 0.000 1.038 532 L CB 0.270 42.256 42.059 -0.123 0.000 1.395 532 L HN 0.187 nan 8.230 nan 0.000 0.566 533 E N -1.016 119.142 120.200 -0.070 0.000 2.204 533 E HA -0.220 4.129 4.350 -0.001 0.000 0.194 533 E C 0.270 176.847 176.600 -0.038 0.000 0.989 533 E CA 1.724 58.087 56.400 -0.062 0.000 0.824 533 E CB 0.053 29.720 29.700 -0.055 0.000 0.756 533 E HN 0.473 nan 8.360 nan 0.000 0.477 534 D N 0.341 120.723 120.400 -0.030 0.000 2.333 534 D HA 0.013 4.652 4.640 -0.001 0.000 0.208 534 D C 1.664 177.960 176.300 -0.007 0.000 0.984 534 D CA 0.316 54.307 54.000 -0.015 0.000 0.873 534 D CB 0.173 40.965 40.800 -0.013 0.000 0.935 534 D HN -0.047 nan 8.370 nan 0.000 0.521 535 K N 0.353 120.742 120.400 -0.019 0.000 2.365 535 K HA 0.061 4.381 4.320 -0.001 0.000 0.197 535 K C 0.669 177.273 176.600 0.008 0.000 1.042 535 K CA 0.210 56.490 56.287 -0.011 0.000 0.987 535 K CB 0.004 32.483 32.500 -0.035 0.000 0.779 535 K HN 0.364 nan 8.250 nan 0.000 0.484 536 C N -2.093 117.209 119.300 0.003 0.000 2.803 536 C HA 0.802 5.261 4.460 -0.001 0.000 0.389 536 C C 1.076 176.110 174.990 0.073 0.000 1.433 536 C CA -1.191 57.861 59.018 0.056 0.000 1.714 536 C CB 0.318 28.075 27.740 0.027 0.000 2.106 536 C HN 0.287 nan 8.230 nan 0.000 0.480 537 G N 0.608 109.484 108.800 0.126 0.000 2.554 537 G HA2 0.376 4.335 3.960 -0.001 0.000 0.238 537 G HA3 0.376 4.335 3.960 -0.001 0.000 0.238 537 G C -0.484 174.457 174.900 0.068 0.000 1.259 537 G CA -0.409 44.769 45.100 0.131 0.000 0.843 537 G HN 0.895 nan 8.290 nan 0.000 0.582 538 K N 0.033 120.474 120.400 0.068 0.000 2.298 538 K HA 0.210 4.530 4.320 -0.001 0.000 0.280 538 K C -0.457 176.156 176.600 0.022 0.000 1.032 538 K CA -0.470 55.832 56.287 0.025 0.000 0.958 538 K CB 1.416 33.922 32.500 0.011 0.000 0.978 538 K HN 0.245 nan 8.250 nan 0.000 0.472 539 L N 3.973 125.188 121.223 -0.013 0.000 2.264 539 L HA 0.135 4.475 4.340 -0.001 0.000 0.287 539 L C -0.297 176.535 176.870 -0.064 0.000 1.039 539 L CA -0.200 54.633 54.840 -0.011 0.000 0.829 539 L CB 0.609 42.656 42.059 -0.021 0.000 1.211 539 L HN 0.535 nan 8.230 nan 0.000 0.427 540 D N 6.124 126.418 120.400 -0.177 0.000 2.455 540 D HA 0.045 4.684 4.640 -0.001 0.000 0.241 540 D C -1.795 174.426 176.300 -0.130 0.000 1.138 540 D CA -1.212 52.589 54.000 -0.331 0.000 0.877 540 D CB 1.940 42.134 40.800 -1.010 0.000 1.187 540 D HN 0.387 nan 8.370 nan 0.000 0.451 541 P HA -0.106 nan 4.420 nan 0.000 0.217 541 P C 1.130 178.452 177.300 0.037 0.000 1.150 541 P CA 1.626 64.715 63.100 -0.019 0.000 0.832 541 P CB 0.019 31.698 31.700 -0.035 0.000 0.787 542 T N -5.090 109.491 114.554 0.044 0.000 3.160 542 T HA 0.007 4.357 4.350 -0.001 0.000 0.257 542 T C 1.153 176.084 174.700 0.385 0.000 1.147 542 T CA 0.597 62.774 62.100 0.128 0.000 1.064 542 T CB -0.849 68.072 68.868 0.089 0.000 0.949 542 T HN -0.122 nan 8.240 nan 0.000 0.526 543 F N 1.340 121.358 119.950 0.114 0.000 2.582 543 F HA 0.591 5.117 4.527 -0.001 0.000 0.290 543 F C 2.604 178.511 175.800 0.179 0.000 1.115 543 F CA -1.157 57.006 58.000 0.272 0.000 1.445 543 F CB -1.041 38.152 39.000 0.321 0.000 1.126 543 F HN 0.257 nan 8.300 nan 0.000 0.574 544 A N 0.441 123.426 122.820 0.276 0.000 1.958 544 A HA -0.270 4.049 4.320 -0.001 0.000 0.221 544 A C 2.348 180.003 177.584 0.119 0.000 1.178 544 A CA 2.399 54.520 52.037 0.140 0.000 0.642 544 A CB -1.240 17.806 19.000 0.078 0.000 0.816 544 A HN 0.389 nan 8.150 nan 0.000 0.453 545 S N -0.270 115.511 115.700 0.134 0.000 2.500 545 S HA 0.150 4.619 4.470 -0.001 0.000 0.239 545 S C 1.772 176.465 174.600 0.154 0.000 0.989 545 S CA 1.065 59.340 58.200 0.126 0.000 0.951 545 S CB -0.502 62.762 63.200 0.107 0.000 0.759 545 S HN 0.930 nan 8.310 nan 0.000 0.523 546 A N 1.903 124.825 122.820 0.170 0.000 2.066 546 A HA 0.045 4.364 4.320 -0.001 0.000 0.218 546 A C 2.362 179.982 177.584 0.060 0.000 1.157 546 A CA 1.499 53.611 52.037 0.126 0.000 0.670 546 A CB -1.080 17.946 19.000 0.044 0.000 0.804 546 A HN 0.742 nan 8.150 nan 0.000 0.453 547 T N -2.326 112.257 114.554 0.050 0.000 3.107 547 T HA 0.363 4.712 4.350 -0.001 0.000 0.249 547 T C 0.482 175.232 174.700 0.083 0.000 1.096 547 T CA -0.295 61.835 62.100 0.049 0.000 1.012 547 T CB -0.563 68.305 68.868 -0.000 0.000 0.977 547 T HN 0.207 nan 8.240 nan 0.000 0.527 548 L N 2.068 123.348 121.223 0.096 0.000 2.453 548 L HA 0.332 4.671 4.340 -0.001 0.000 0.272 548 L C 0.246 177.195 176.870 0.132 0.000 1.182 548 L CA -0.500 54.399 54.840 0.098 0.000 0.858 548 L CB 0.505 42.621 42.059 0.095 0.000 1.120 548 L HN 0.210 nan 8.230 nan 0.000 0.474 549 L N 3.188 124.488 121.223 0.128 0.000 2.350 549 L HA 0.246 4.585 4.340 -0.001 0.000 0.275 549 L C 0.101 177.107 176.870 0.227 0.000 1.099 549 L CA -0.474 54.480 54.840 0.188 0.000 0.808 549 L CB 0.613 42.769 42.059 0.161 0.000 1.149 549 L HN 0.368 nan 8.230 nan 0.000 0.442 550 F N 3.361 123.427 119.950 0.194 0.000 2.579 550 F HA -0.064 4.463 4.527 -0.001 0.000 0.397 550 F C 0.404 176.327 175.800 0.205 0.000 1.027 550 F CA 0.626 58.749 58.000 0.205 0.000 1.217 550 F CB 0.137 39.298 39.000 0.268 0.000 0.986 550 F HN 0.489 nan 8.300 nan 0.000 0.551 551 Q N 5.184 124.654 119.800 -0.550 0.000 2.347 551 Q HA 0.386 4.726 4.340 -0.001 0.000 0.271 551 Q C -1.160 174.508 176.000 -0.553 0.000 1.064 551 Q CA -1.071 54.540 55.803 -0.321 0.000 0.800 551 Q CB 1.744 30.403 28.738 -0.130 0.000 1.304 551 Q HN 0.665 nan 8.270 nan 0.000 0.438 552 K N 1.189 121.458 120.400 -0.218 0.000 2.646 552 K HA 0.549 4.869 4.320 -0.001 0.000 0.270 552 K C -1.090 175.481 176.600 -0.049 0.000 1.026 552 K CA -0.425 55.799 56.287 -0.105 0.000 1.043 552 K CB 0.582 33.154 32.500 0.120 0.000 1.383 552 K HN 0.457 nan 8.250 nan 0.000 0.513 553 D N -0.035 120.371 120.400 0.009 0.000 2.753 553 D HA 0.313 4.952 4.640 -0.001 0.000 0.224 553 D C -2.720 173.613 176.300 0.055 0.000 1.213 553 D CA -1.585 52.428 54.000 0.021 0.000 0.833 553 D CB 1.215 42.020 40.800 0.008 0.000 1.607 553 D HN 0.201 nan 8.370 nan 0.000 0.463 554 P HA 0.158 nan 4.420 nan 0.000 0.262 554 P C -2.438 174.915 177.300 0.087 0.000 1.182 554 P CA -0.792 62.354 63.100 0.077 0.000 0.761 554 P CB -0.331 31.410 31.700 0.068 0.000 0.795 555 P HA 0.152 nan 4.420 nan 0.000 0.269 555 P C -0.886 176.485 177.300 0.119 0.000 1.209 555 P CA -0.097 63.080 63.100 0.128 0.000 0.776 555 P CB 0.636 32.434 31.700 0.165 0.000 0.876 556 A N 2.836 125.728 122.820 0.120 0.000 2.363 556 A HA 0.452 4.771 4.320 -0.001 0.000 0.296 556 A C -0.794 176.868 177.584 0.130 0.000 1.237 556 A CA -0.575 51.525 52.037 0.105 0.000 0.773 556 A CB 0.541 19.590 19.000 0.081 0.000 1.153 556 A HN 0.451 nan 8.150 nan 0.000 0.473 557 D N 2.071 122.547 120.400 0.127 0.000 2.502 557 D HA 0.502 5.141 4.640 -0.001 0.000 0.249 557 D C -0.635 175.710 176.300 0.075 0.000 1.092 557 D CA -0.076 54.002 54.000 0.130 0.000 0.839 557 D CB 2.422 43.324 40.800 0.171 0.000 1.264 557 D HN 0.629 nan 8.370 nan 0.000 0.511 558 V N -0.277 119.660 119.914 0.039 0.000 2.808 558 V HA 0.651 4.770 4.120 -0.001 0.000 0.308 558 V C -1.427 174.663 176.094 -0.006 0.000 1.099 558 V CA -0.791 61.519 62.300 0.016 0.000 0.920 558 V CB 2.093 33.923 31.823 0.011 0.000 1.014 558 V HN 0.250 nan 8.190 nan 0.000 0.425 559 Q N 4.475 124.289 119.800 0.024 0.000 2.330 559 Q HA 0.814 5.153 4.340 -0.001 0.000 0.269 559 Q C -1.120 174.959 176.000 0.132 0.000 1.022 559 Q CA -0.285 55.552 55.803 0.056 0.000 0.796 559 Q CB 2.382 31.169 28.738 0.081 0.000 1.271 559 Q HN 0.898 nan 8.270 nan 0.000 0.450 560 L N 4.315 125.612 121.223 0.123 0.000 2.356 560 L HA 0.747 5.086 4.340 -0.001 0.000 0.277 560 L C -0.899 176.092 176.870 0.201 0.000 0.996 560 L CA -0.879 54.013 54.840 0.085 0.000 0.822 560 L CB 0.615 42.672 42.059 -0.004 0.000 1.256 560 L HN 0.629 nan 8.230 nan 0.000 0.413 561 F N -0.042 119.881 119.950 -0.045 0.000 2.824 561 F HA 0.595 5.121 4.527 -0.001 0.000 0.330 561 F C -0.715 175.064 175.800 -0.035 0.000 1.175 561 F CA -1.183 56.792 58.000 -0.041 0.000 0.974 561 F CB 1.365 40.338 39.000 -0.045 0.000 1.430 561 F HN 0.310 nan 8.300 nan 0.000 0.507 562 Q N 0.979 120.840 119.800 0.101 0.000 2.241 562 Q HA 0.325 4.665 4.340 -0.001 0.000 0.254 562 Q C -0.809 175.185 176.000 -0.009 0.000 0.917 562 Q CA -0.770 55.018 55.803 -0.024 0.000 0.919 562 Q CB 1.750 30.502 28.738 0.022 0.000 1.237 562 Q HN 0.658 nan 8.270 nan 0.000 0.434 563 E N 1.316 121.455 120.200 -0.101 0.000 2.371 563 E HA 0.183 4.533 4.350 -0.001 0.000 0.257 563 E C -0.943 175.656 176.600 -0.000 0.000 1.134 563 E CA -0.449 55.919 56.400 -0.053 0.000 0.919 563 E CB 0.874 30.520 29.700 -0.089 0.000 1.025 563 E HN 0.371 nan 8.360 nan 0.000 0.438 564 V N 0.720 120.643 119.914 0.016 0.000 2.953 564 V HA 0.501 4.620 4.120 -0.001 0.000 0.304 564 V C -2.052 174.036 176.094 -0.010 0.000 1.073 564 V CA -1.883 60.420 62.300 0.005 0.000 1.064 564 V CB 0.294 32.119 31.823 0.002 0.000 1.047 564 V HN 0.702 nan 8.190 nan 0.000 0.478 565 P HA 0.036 nan 4.420 nan 0.000 0.264 565 P C 0.474 177.765 177.300 -0.015 0.000 1.179 565 P CA 0.140 63.231 63.100 -0.016 0.000 0.763 565 P CB 0.380 32.071 31.700 -0.016 0.000 0.806 566 K N 2.811 123.202 120.400 -0.015 0.000 2.059 566 K HA -0.162 4.157 4.320 -0.001 0.000 0.212 566 K C 1.979 178.573 176.600 -0.010 0.000 1.050 566 K CA 2.388 58.667 56.287 -0.013 0.000 0.927 566 K CB -1.108 31.384 32.500 -0.013 0.000 0.714 566 K HN 0.647 nan 8.250 nan 0.000 0.447 567 G N -0.272 108.523 108.800 -0.009 0.000 2.712 567 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.212 567 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.212 567 G C 0.096 174.991 174.900 -0.008 0.000 1.142 567 G CA -0.149 44.948 45.100 -0.006 0.000 0.789 567 G HN 0.458 nan 8.290 nan 0.000 0.535 568 Q N 1.497 121.288 119.800 -0.014 0.000 2.308 568 Q HA 0.152 4.492 4.340 -0.001 0.000 0.313 568 Q C 0.765 176.755 176.000 -0.017 0.000 1.075 568 Q CA -0.218 55.573 55.803 -0.021 0.000 0.995 568 Q CB 0.252 28.973 28.738 -0.028 0.000 1.107 568 Q HN 0.216 nan 8.270 nan 0.000 0.380 569 S N 2.465 118.154 115.700 -0.018 0.000 2.550 569 S HA -0.148 4.321 4.470 -0.001 0.000 0.285 569 S C 0.972 175.563 174.600 -0.015 0.000 1.326 569 S CA 0.539 58.731 58.200 -0.013 0.000 1.037 569 S CB 0.757 63.948 63.200 -0.014 0.000 0.838 569 S HN 0.905 nan 8.310 nan 0.000 0.519 570 E N 2.001 122.196 120.200 -0.009 0.000 2.150 570 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 570 E C 1.302 177.896 176.600 -0.011 0.000 0.985 570 E CA 1.172 57.568 56.400 -0.006 0.000 0.814 570 E CB -0.064 29.635 29.700 -0.002 0.000 0.752 570 E HN 0.846 nan 8.360 nan 0.000 0.466 571 E N 0.527 120.716 120.200 -0.017 0.000 2.481 571 E HA -0.063 4.286 4.350 -0.001 0.000 0.195 571 E C -0.172 176.406 176.600 -0.037 0.000 1.047 571 E CA -0.001 56.384 56.400 -0.026 0.000 0.867 571 E CB 0.157 29.837 29.700 -0.032 0.000 0.858 571 E HN 0.117 nan 8.360 nan 0.000 0.513 572 D N 0.584 120.959 120.400 -0.041 0.000 2.347 572 D HA 0.044 4.683 4.640 -0.001 0.000 0.235 572 D C 0.759 177.025 176.300 -0.057 0.000 1.149 572 D CA -0.113 53.850 54.000 -0.063 0.000 0.850 572 D CB 0.821 41.575 40.800 -0.075 0.000 1.061 572 D HN -0.166 nan 8.370 nan 0.000 0.487 573 M N 2.634 122.200 119.600 -0.057 0.000 2.509 573 M HA 0.084 4.564 4.480 -0.001 0.000 0.250 573 M C 0.306 176.572 176.300 -0.057 0.000 1.132 573 M CA 0.048 55.324 55.300 -0.041 0.000 1.080 573 M CB -0.233 32.353 32.600 -0.024 0.000 1.408 573 M HN 0.146 nan 8.290 nan 0.000 0.484 574 V N 2.000 121.852 119.914 -0.104 0.000 2.475 574 V HA 0.234 4.354 4.120 -0.001 0.000 0.292 574 V C 1.502 177.541 176.094 -0.092 0.000 1.003 574 V CA 1.267 63.490 62.300 -0.129 0.000 1.120 574 V CB -0.553 31.098 31.823 -0.287 0.000 0.937 574 V HN 0.860 nan 8.190 nan 0.000 0.476 575 G N 4.627 113.395 108.800 -0.054 0.000 2.213 575 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.226 575 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.226 575 G C 0.270 175.178 174.900 0.012 0.000 0.992 575 G CA -0.074 45.015 45.100 -0.019 0.000 0.632 575 G HN 0.612 nan 8.290 nan 0.000 0.511 576 R N 1.096 121.595 120.500 -0.002 0.000 2.536 576 R HA 0.460 4.799 4.340 -0.001 0.000 0.279 576 R C -2.190 174.100 176.300 -0.017 0.000 1.001 576 R CA -1.577 54.538 56.100 0.026 0.000 1.027 576 R CB 1.344 31.660 30.300 0.027 0.000 1.096 576 R HN 0.046 nan 8.270 nan 0.000 0.502 577 P HA -0.003 nan 4.420 nan 0.000 0.225 577 P C -0.555 176.773 177.300 0.045 0.000 1.768 577 P CA -0.145 62.898 63.100 -0.095 0.000 0.943 577 P CB -0.112 31.503 31.700 -0.141 0.000 1.936 578 L N 3.652 124.897 121.223 0.038 0.000 2.500 578 L HA 0.226 4.566 4.340 -0.001 0.000 0.272 578 L C -1.995 174.960 176.870 0.141 0.000 1.149 578 L CA -1.806 53.087 54.840 0.088 0.000 0.897 578 L CB -0.447 41.635 42.059 0.039 0.000 1.178 578 L HN 0.040 nan 8.230 nan 0.000 0.473 579 P HA -0.100 nan 4.420 nan 0.000 0.269 579 P C -0.500 176.924 177.300 0.206 0.000 1.217 579 P CA -0.086 63.204 63.100 0.318 0.000 0.783 579 P CB 0.235 32.038 31.700 0.171 0.000 0.898 580 H N 2.482 121.629 119.070 0.129 0.000 3.192 580 H HA -0.035 4.520 4.556 -0.001 0.000 0.295 580 H C 1.340 176.707 175.328 0.065 0.000 0.943 580 H CA 0.498 56.591 56.048 0.075 0.000 1.416 580 H CB 0.136 29.938 29.762 0.066 0.000 1.434 580 H HN 0.334 nan 8.280 nan 0.000 0.565 581 L N 4.186 125.423 121.223 0.023 0.000 2.151 581 L HA -0.277 4.062 4.340 -0.001 0.000 0.215 581 L C 2.204 179.196 176.870 0.204 0.000 1.084 581 L CA 1.783 56.675 54.840 0.088 0.000 0.764 581 L CB -0.378 41.678 42.059 -0.006 0.000 0.891 581 L HN 0.652 nan 8.230 nan 0.000 0.435 582 A N -1.271 121.805 122.820 0.426 0.000 2.348 582 A HA 0.391 4.711 4.320 -0.001 0.000 0.224 582 A C 2.297 179.973 177.584 0.153 0.000 1.227 582 A CA 0.648 52.847 52.037 0.271 0.000 0.885 582 A CB -0.157 18.999 19.000 0.259 0.000 0.933 582 A HN 0.298 nan 8.150 nan 0.000 0.506 583 A N 1.043 123.966 122.820 0.170 0.000 1.903 583 A HA -0.270 4.049 4.320 -0.001 0.000 0.219 583 A C 1.715 179.318 177.584 0.033 0.000 1.191 583 A CA 2.213 54.276 52.037 0.042 0.000 0.638 583 A CB -0.559 18.483 19.000 0.070 0.000 0.823 583 A HN 0.438 nan 8.150 nan 0.000 0.451 584 D N -0.423 120.009 120.400 0.054 0.000 2.104 584 D HA -0.153 4.487 4.640 -0.001 0.000 0.194 584 D C 2.028 178.352 176.300 0.040 0.000 0.994 584 D CA 1.669 55.694 54.000 0.042 0.000 0.830 584 D CB -0.407 40.423 40.800 0.050 0.000 0.959 584 D HN 0.546 nan 8.370 nan 0.000 0.452 585 M N 0.051 119.679 119.600 0.048 0.000 2.319 585 M HA -0.094 4.385 4.480 -0.001 0.000 0.265 585 M C 2.037 178.360 176.300 0.038 0.000 1.068 585 M CA 1.045 56.369 55.300 0.040 0.000 1.118 585 M CB -0.135 32.491 32.600 0.044 0.000 1.395 585 M HN 0.002 nan 8.290 nan 0.000 0.435 586 Q N 0.219 120.043 119.800 0.039 0.000 2.137 586 Q HA -0.010 4.329 4.340 -0.001 0.000 0.198 586 Q C 2.305 178.334 176.000 0.047 0.000 0.960 586 Q CA 1.355 57.195 55.803 0.061 0.000 0.847 586 Q CB -0.148 28.611 28.738 0.036 0.000 0.915 586 Q HN 0.572 nan 8.270 nan 0.000 0.448 587 A N 1.016 123.854 122.820 0.030 0.000 2.015 587 A HA -0.133 4.186 4.320 -0.001 0.000 0.219 587 A C 2.127 179.729 177.584 0.030 0.000 1.163 587 A CA 1.609 53.665 52.037 0.032 0.000 0.646 587 A CB -0.279 18.740 19.000 0.030 0.000 0.806 587 A HN 0.395 nan 8.150 nan 0.000 0.448 588 S N -2.479 113.237 115.700 0.026 0.000 2.548 588 S HA 0.397 4.866 4.470 -0.001 0.000 0.215 588 S C 1.381 175.983 174.600 0.004 0.000 0.976 588 S CA 0.989 59.197 58.200 0.013 0.000 0.908 588 S CB -0.049 63.161 63.200 0.017 0.000 0.781 588 S HN 1.844 nan 8.310 nan 0.000 0.519 589 G N 1.288 110.098 108.800 0.017 0.000 2.143 589 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.249 589 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.249 589 G C 0.464 175.378 174.900 0.023 0.000 0.981 589 G CA 0.463 45.574 45.100 0.018 0.000 0.665 589 G HN 0.575 nan 8.290 nan 0.000 0.528 590 E N 0.047 120.259 120.200 0.020 0.000 2.250 590 E HA 0.403 4.752 4.350 -0.001 0.000 0.192 590 E C 1.825 178.426 176.600 0.002 0.000 0.986 590 E CA 0.347 56.753 56.400 0.010 0.000 0.849 590 E CB 0.147 29.852 29.700 0.009 0.000 0.797 590 E HN 0.797 nan 8.360 nan 0.000 0.482 591 A N 1.576 124.398 122.820 0.003 0.000 2.520 591 A HA 0.162 4.481 4.320 -0.001 0.000 0.245 591 A C 0.107 177.612 177.584 -0.132 0.000 1.072 591 A CA -0.048 51.944 52.037 -0.074 0.000 0.761 591 A CB 0.345 19.290 19.000 -0.092 0.000 1.004 591 A HN 0.004 nan 8.150 nan 0.000 0.499 592 V N 3.921 123.715 119.914 -0.199 0.000 2.407 592 V HA 0.338 4.457 4.120 -0.001 0.000 0.278 592 V C -0.526 175.386 176.094 -0.305 0.000 1.037 592 V CA -0.121 62.086 62.300 -0.156 0.000 0.900 592 V CB 0.356 32.127 31.823 -0.086 0.000 0.983 592 V HN 0.769 nan 8.190 nan 0.000 0.459 593 Y N 1.606 121.953 120.300 0.078 0.000 2.534 593 Y HA 0.335 4.884 4.550 -0.001 0.000 0.329 593 Y C 1.554 177.492 175.900 0.063 0.000 1.154 593 Y CA -0.171 57.994 58.100 0.109 0.000 1.192 593 Y CB 0.844 39.457 38.460 0.255 0.000 1.275 593 Y HN 0.668 nan 8.280 nan 0.000 0.491 594 C N 0.905 120.327 119.300 0.203 0.000 2.303 594 C HA -0.322 4.137 4.460 -0.001 0.000 0.273 594 C C 2.561 177.602 174.990 0.085 0.000 1.154 594 C CA 2.592 61.679 59.018 0.115 0.000 1.784 594 C CB -0.761 27.039 27.740 0.100 0.000 1.993 594 C HN 1.108 nan 8.230 nan 0.000 0.430 595 D N -0.428 120.044 120.400 0.119 0.000 2.350 595 D HA -0.080 4.560 4.640 -0.001 0.000 0.216 595 D C 1.505 177.849 176.300 0.073 0.000 0.968 595 D CA 0.967 55.020 54.000 0.089 0.000 0.894 595 D CB -0.352 40.513 40.800 0.108 0.000 0.909 595 D HN 0.556 nan 8.370 nan 0.000 0.520 596 D N -0.308 120.154 120.400 0.104 0.000 2.277 596 D HA -0.013 4.626 4.640 -0.001 0.000 0.208 596 D C 0.655 176.943 176.300 -0.020 0.000 0.962 596 D CA 0.147 54.186 54.000 0.064 0.000 0.865 596 D CB 0.030 40.900 40.800 0.117 0.000 0.939 596 D HN 0.363 nan 8.370 nan 0.000 0.510 597 I N 2.663 123.196 120.570 -0.063 0.000 2.752 597 I HA -0.025 4.144 4.170 -0.001 0.000 0.289 597 I C -1.940 174.078 176.117 -0.165 0.000 1.197 597 I CA -1.319 59.884 61.300 -0.162 0.000 1.432 597 I CB 0.022 37.851 38.000 -0.285 0.000 1.359 597 I HN -0.283 nan 8.210 nan 0.000 0.571 598 P HA 0.012 nan 4.420 nan 0.000 0.267 598 P C -0.759 176.397 177.300 -0.240 0.000 1.200 598 P CA -0.174 62.814 63.100 -0.187 0.000 0.772 598 P CB 0.384 31.963 31.700 -0.201 0.000 0.855 599 R N 3.006 123.408 120.500 -0.163 0.000 2.428 599 R HA 0.311 4.651 4.340 -0.001 0.000 0.294 599 R C -0.680 175.552 176.300 -0.114 0.000 1.000 599 R CA -0.570 55.457 56.100 -0.122 0.000 0.960 599 R CB 0.247 30.530 30.300 -0.029 0.000 1.076 599 R HN 0.303 nan 8.270 nan 0.000 0.475 600 Y N 1.774 122.058 120.300 -0.026 0.000 2.683 600 Y HA -0.132 4.418 4.550 -0.001 0.000 0.340 600 Y C 1.794 177.686 175.900 -0.014 0.000 1.245 600 Y CA 0.742 58.832 58.100 -0.017 0.000 1.485 600 Y CB 0.741 39.199 38.460 -0.003 0.000 1.328 600 Y HN 0.776 nan 8.280 nan 0.000 0.603 601 E N 0.790 121.086 120.200 0.161 0.000 2.331 601 E HA -0.265 4.084 4.350 -0.001 0.000 0.199 601 E C 0.279 176.923 176.600 0.073 0.000 1.008 601 E CA 1.480 57.928 56.400 0.081 0.000 0.843 601 E CB -0.287 29.450 29.700 0.061 0.000 0.761 601 E HN 0.745 nan 8.360 nan 0.000 0.507 602 N N 0.708 119.466 118.700 0.096 0.000 2.351 602 N HA 0.051 4.791 4.740 -0.001 0.000 0.254 602 N C -0.722 174.824 175.510 0.060 0.000 1.241 602 N CA -0.308 52.775 53.050 0.054 0.000 0.883 602 N CB 0.357 38.856 38.487 0.020 0.000 1.202 602 N HN 0.163 nan 8.380 nan 0.000 0.512 603 E N 0.873 121.131 120.200 0.097 0.000 2.331 603 E HA 0.379 4.728 4.350 -0.001 0.000 0.272 603 E C -0.733 175.902 176.600 0.059 0.000 1.036 603 E CA -0.457 56.001 56.400 0.097 0.000 0.864 603 E CB 1.018 30.801 29.700 0.138 0.000 1.035 603 E HN 0.232 nan 8.360 nan 0.000 0.408 604 L N 1.745 122.998 121.223 0.050 0.000 2.313 604 L HA 0.440 4.780 4.340 -0.001 0.000 0.268 604 L C -0.205 176.691 176.870 0.044 0.000 1.010 604 L CA -0.844 54.017 54.840 0.036 0.000 0.814 604 L CB 2.129 44.196 42.059 0.012 0.000 1.304 604 L HN 0.465 nan 8.230 nan 0.000 0.441 605 S N 1.385 117.111 115.700 0.043 0.000 2.608 605 S HA 0.708 5.177 4.470 -0.001 0.000 0.291 605 S C -0.789 173.844 174.600 0.055 0.000 1.146 605 S CA -0.525 57.707 58.200 0.053 0.000 1.043 605 S CB 1.799 65.033 63.200 0.056 0.000 1.037 605 S HN 0.417 nan 8.310 nan 0.000 0.520 606 L N 2.188 123.451 121.223 0.066 0.000 2.401 606 L HA 0.749 5.088 4.340 -0.001 0.000 0.266 606 L C -0.918 176.006 176.870 0.089 0.000 0.991 606 L CA -0.686 54.197 54.840 0.072 0.000 0.818 606 L CB 1.781 43.882 42.059 0.069 0.000 1.321 606 L HN 0.679 nan 8.230 nan 0.000 0.413 607 R N 4.180 124.743 120.500 0.104 0.000 2.574 607 R HA 0.579 4.919 4.340 -0.001 0.000 0.288 607 R C -1.682 174.699 176.300 0.135 0.000 1.004 607 R CA -0.605 55.565 56.100 0.118 0.000 0.895 607 R CB 1.553 31.928 30.300 0.125 0.000 1.191 607 R HN 0.682 nan 8.270 nan 0.000 0.444 608 L N 3.842 125.148 121.223 0.138 0.000 2.397 608 L HA 0.357 4.696 4.340 -0.001 0.000 0.271 608 L C -0.301 176.674 176.870 0.175 0.000 1.148 608 L CA -0.755 54.184 54.840 0.164 0.000 0.825 608 L CB 1.422 43.578 42.059 0.161 0.000 1.117 608 L HN 0.329 nan 8.230 nan 0.000 0.456 609 V N 1.587 121.622 119.914 0.203 0.000 2.370 609 V HA 0.421 4.540 4.120 -0.001 0.000 0.283 609 V C 0.301 176.519 176.094 0.208 0.000 1.023 609 V CA -0.457 61.974 62.300 0.217 0.000 0.857 609 V CB 1.512 33.518 31.823 0.305 0.000 0.985 609 V HN 0.933 nan 8.190 nan 0.000 0.443 610 T N 0.990 115.657 114.554 0.189 0.000 2.924 610 T HA 0.549 4.898 4.350 -0.001 0.000 0.291 610 T C 0.007 174.831 174.700 0.207 0.000 1.045 610 T CA -0.678 61.539 62.100 0.194 0.000 1.015 610 T CB 1.772 70.744 68.868 0.174 0.000 1.103 610 T HN 0.540 nan 8.240 nan 0.000 0.496 611 S N 0.594 116.430 115.700 0.227 0.000 2.549 611 S HA 0.271 4.740 4.470 -0.001 0.000 0.283 611 S C 1.274 175.952 174.600 0.129 0.000 1.320 611 S CA 0.020 58.373 58.200 0.254 0.000 1.058 611 S CB -0.054 63.296 63.200 0.251 0.000 0.882 611 S HN 0.989 nan 8.310 nan 0.000 0.498 612 T N 2.709 117.289 114.554 0.043 0.000 3.145 612 T HA 0.384 4.733 4.350 -0.001 0.000 0.255 612 T C 0.171 174.730 174.700 -0.235 0.000 1.039 612 T CA -0.517 61.548 62.100 -0.058 0.000 0.928 612 T CB -0.045 68.825 68.868 0.004 0.000 1.029 612 T HN 0.397 nan 8.240 nan 0.000 0.554 613 R N 0.300 120.596 120.500 -0.341 0.000 2.686 613 R HA 0.763 5.102 4.340 -0.001 0.000 0.286 613 R C 0.915 177.158 176.300 -0.094 0.000 0.969 613 R CA -0.470 55.436 56.100 -0.322 0.000 0.898 613 R CB 1.268 31.203 30.300 -0.608 0.000 1.183 613 R HN 0.130 nan 8.270 nan 0.000 0.456 614 A N 1.253 124.048 122.820 -0.042 0.000 1.969 614 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 614 A C 0.376 178.028 177.584 0.114 0.000 1.169 614 A CA 1.367 53.417 52.037 0.022 0.000 0.635 614 A CB -0.115 18.887 19.000 0.004 0.000 0.810 614 A HN 0.729 nan 8.150 nan 0.000 0.445 615 H N -2.495 116.563 119.070 -0.020 0.000 3.163 615 H HA 0.503 5.059 4.556 -0.001 0.000 0.322 615 H C -1.092 174.248 175.328 0.019 0.000 1.047 615 H CA -0.263 55.796 56.048 0.018 0.000 1.418 615 H CB 0.959 30.724 29.762 0.005 0.000 2.016 615 H HN 0.539 nan 8.280 nan 0.000 0.454 616 A N 4.055 126.918 122.820 0.072 0.000 2.490 616 A HA 0.380 4.699 4.320 -0.001 0.000 0.292 616 A C -1.662 175.975 177.584 0.089 0.000 1.047 616 A CA -0.992 51.045 52.037 -0.000 0.000 0.632 616 A CB 1.481 20.527 19.000 0.077 0.000 1.323 616 A HN 0.535 nan 8.150 nan 0.000 0.448 617 K N 0.296 120.737 120.400 0.069 0.000 2.118 617 K HA 0.631 4.951 4.320 -0.001 0.000 0.267 617 K C -0.971 175.680 176.600 0.085 0.000 0.991 617 K CA -0.255 56.070 56.287 0.064 0.000 0.916 617 K CB 1.392 33.904 32.500 0.019 0.000 1.041 617 K HN 0.495 nan 8.250 nan 0.000 0.455 618 I N 3.959 124.545 120.570 0.027 0.000 2.291 618 I HA 0.050 4.220 4.170 -0.001 0.000 0.292 618 I C 1.201 177.273 176.117 -0.076 0.000 1.064 618 I CA -0.180 61.074 61.300 -0.077 0.000 1.269 618 I CB 0.756 38.705 38.000 -0.086 0.000 1.418 618 I HN 0.507 nan 8.210 nan 0.000 0.485 619 K N 3.588 123.930 120.400 -0.097 0.000 2.044 619 K HA 0.043 4.362 4.320 -0.001 0.000 0.204 619 K C 0.757 177.307 176.600 -0.084 0.000 1.049 619 K CA 0.865 57.111 56.287 -0.068 0.000 0.945 619 K CB 0.111 32.581 32.500 -0.051 0.000 0.724 619 K HN 0.725 nan 8.250 nan 0.000 0.440 620 S N -0.323 115.300 115.700 -0.127 0.000 2.607 620 S HA 0.616 5.085 4.470 -0.001 0.000 0.273 620 S C -0.896 173.605 174.600 -0.165 0.000 1.148 620 S CA -1.040 57.088 58.200 -0.120 0.000 0.833 620 S CB 1.732 64.874 63.200 -0.097 0.000 1.130 620 S HN 0.088 nan 8.310 nan 0.000 0.470 621 I N 1.477 121.957 120.570 -0.151 0.000 2.534 621 I HA 0.437 4.606 4.170 -0.001 0.000 0.288 621 I C -1.573 174.420 176.117 -0.207 0.000 1.077 621 I CA -0.372 60.808 61.300 -0.200 0.000 1.051 621 I CB 2.075 39.958 38.000 -0.195 0.000 1.234 621 I HN 0.726 nan 8.210 nan 0.000 0.425 622 D N 4.654 124.917 120.400 -0.228 0.000 2.481 622 D HA 0.212 4.852 4.640 -0.001 0.000 0.246 622 D C 0.385 176.528 176.300 -0.263 0.000 1.109 622 D CA -0.224 53.653 54.000 -0.206 0.000 0.845 622 D CB 2.027 42.739 40.800 -0.147 0.000 1.160 622 D HN 0.645 nan 8.370 nan 0.000 0.534 623 T N 0.063 114.449 114.554 -0.279 0.000 3.186 623 T HA 0.115 4.464 4.350 -0.001 0.000 0.257 623 T C 1.423 175.965 174.700 -0.263 0.000 1.029 623 T CA -0.207 61.705 62.100 -0.313 0.000 0.916 623 T CB 0.141 68.816 68.868 -0.321 0.000 1.041 623 T HN 0.116 nan 8.240 nan 0.000 0.562 624 S N 2.218 117.799 115.700 -0.199 0.000 2.359 624 S HA -0.128 4.342 4.470 -0.001 0.000 0.223 624 S C 2.027 176.510 174.600 -0.195 0.000 1.039 624 S CA 1.261 59.360 58.200 -0.169 0.000 1.042 624 S CB -0.220 62.907 63.200 -0.122 0.000 0.915 624 S HN 0.527 nan 8.310 nan 0.000 0.439 625 E N 1.251 121.340 120.200 -0.186 0.000 2.204 625 E HA 0.053 4.402 4.350 -0.001 0.000 0.194 625 E C 2.205 178.656 176.600 -0.248 0.000 0.989 625 E CA 0.879 57.173 56.400 -0.176 0.000 0.824 625 E CB -0.458 29.165 29.700 -0.128 0.000 0.756 625 E HN 0.502 nan 8.360 nan 0.000 0.477 626 A N 1.675 124.282 122.820 -0.356 0.000 1.897 626 A HA -0.134 4.185 4.320 -0.001 0.000 0.215 626 A C 1.975 178.978 177.584 -0.968 0.000 1.181 626 A CA 1.052 52.756 52.037 -0.554 0.000 0.620 626 A CB -0.265 18.400 19.000 -0.559 0.000 0.821 626 A HN 0.087 nan 8.150 nan 0.000 0.443 627 K N 0.092 119.941 120.400 -0.919 0.000 2.360 627 K HA -0.140 4.180 4.320 -0.001 0.000 0.201 627 K C 1.266 177.674 176.600 -0.321 0.000 1.046 627 K CA 1.357 57.216 56.287 -0.713 0.000 0.940 627 K CB -0.138 32.184 32.500 -0.296 0.000 0.748 627 K HN 0.466 nan 8.250 nan 0.000 0.465 628 K N 0.642 120.873 120.400 -0.280 0.000 2.393 628 K HA 0.083 4.403 4.320 -0.001 0.000 0.193 628 K C 0.200 176.722 176.600 -0.131 0.000 1.026 628 K CA -0.001 56.195 56.287 -0.152 0.000 1.064 628 K CB 0.584 33.009 32.500 -0.125 0.000 0.833 628 K HN -0.121 nan 8.250 nan 0.000 0.521 629 V N 3.524 123.337 119.914 -0.168 0.000 2.583 629 V HA 0.103 4.222 4.120 -0.001 0.000 0.287 629 V C -2.245 173.774 176.094 -0.125 0.000 1.051 629 V CA -1.950 60.269 62.300 -0.136 0.000 1.010 629 V CB 0.720 32.481 31.823 -0.102 0.000 0.988 629 V HN 0.016 nan 8.190 nan 0.000 0.478 630 P HA 0.243 nan 4.420 nan 0.000 0.268 630 P C 0.912 178.026 177.300 -0.310 0.000 1.204 630 P CA 1.154 64.091 63.100 -0.272 0.000 0.768 630 P CB 0.643 32.154 31.700 -0.316 0.000 0.842 631 G N 1.947 110.738 108.800 -0.015 0.000 2.184 631 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.264 631 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.264 631 G C 0.103 175.079 174.900 0.127 0.000 0.975 631 G CA -0.366 44.803 45.100 0.115 0.000 0.642 631 G HN 0.543 nan 8.290 nan 0.000 0.536 632 F N 0.981 120.920 119.950 -0.019 0.000 2.572 632 F HA 0.452 4.978 4.527 -0.001 0.000 0.370 632 F C 1.288 177.101 175.800 0.023 0.000 1.103 632 F CA 0.744 58.750 58.000 0.009 0.000 1.286 632 F CB 1.129 40.123 39.000 -0.010 0.000 1.105 632 F HN -0.088 nan 8.300 nan 0.000 0.583 633 V N 4.379 123.832 119.914 -0.769 0.000 2.854 633 V HA 0.109 4.228 4.120 -0.001 0.000 0.236 633 V C 0.408 176.053 176.094 -0.748 0.000 1.157 633 V CA 1.075 63.053 62.300 -0.537 0.000 1.187 633 V CB 0.281 31.924 31.823 -0.300 0.000 0.949 633 V HN 1.055 nan 8.190 nan 0.000 0.488 634 C N -2.024 116.605 119.300 -1.118 0.000 3.167 634 C HA 0.646 5.106 4.460 -0.001 0.000 0.348 634 C C -1.667 173.197 174.990 -0.210 0.000 1.394 634 C CA -1.377 57.309 59.018 -0.553 0.000 1.204 634 C CB 0.865 28.487 27.740 -0.197 0.000 1.467 634 C HN 0.316 nan 8.230 nan 0.000 0.446 635 F N 2.476 122.423 119.950 -0.005 0.000 2.539 635 F HA 0.830 5.357 4.527 -0.001 0.000 0.318 635 F C -0.375 175.393 175.800 -0.054 0.000 1.135 635 F CA -0.993 57.034 58.000 0.045 0.000 0.915 635 F CB 1.187 40.278 39.000 0.151 0.000 1.176 635 F HN 0.869 nan 8.300 nan 0.000 0.440 636 I N 2.778 122.816 120.570 -0.886 0.000 2.750 636 I HA 0.915 5.084 4.170 -0.001 0.000 0.308 636 I C -0.694 174.657 176.117 -1.275 0.000 1.016 636 I CA -0.595 60.255 61.300 -0.750 0.000 1.098 636 I CB 1.975 39.732 38.000 -0.404 0.000 1.279 636 I HN 0.657 nan 8.210 nan 0.000 0.454 637 S N 2.426 117.636 115.700 -0.817 0.000 2.757 637 S HA 0.664 5.133 4.470 -0.001 0.000 0.285 637 S C 0.751 175.175 174.600 -0.293 0.000 1.196 637 S CA -0.285 57.437 58.200 -0.796 0.000 0.856 637 S CB 0.857 63.879 63.200 -0.298 0.000 1.212 637 S HN 1.018 nan 8.310 nan 0.000 0.516 638 A N 1.151 123.949 122.820 -0.037 0.000 1.971 638 A HA -0.190 4.129 4.320 -0.001 0.000 0.222 638 A C 1.567 179.199 177.584 0.080 0.000 1.182 638 A CA 2.325 54.443 52.037 0.135 0.000 0.649 638 A CB -1.469 17.599 19.000 0.115 0.000 0.818 638 A HN 0.830 nan 8.150 nan 0.000 0.458 639 D N -0.047 120.373 120.400 0.033 0.000 2.263 639 D HA -0.117 4.522 4.640 -0.001 0.000 0.208 639 D C 0.823 177.148 176.300 0.043 0.000 0.971 639 D CA 1.265 55.286 54.000 0.036 0.000 0.867 639 D CB -0.327 40.490 40.800 0.030 0.000 0.929 639 D HN 0.519 nan 8.370 nan 0.000 0.492 640 D N 0.879 121.299 120.400 0.034 0.000 2.323 640 D HA -0.035 4.604 4.640 -0.001 0.000 0.209 640 D C 1.077 177.449 176.300 0.119 0.000 0.973 640 D CA 0.115 54.154 54.000 0.064 0.000 0.874 640 D CB 0.636 41.445 40.800 0.015 0.000 0.930 640 D HN 0.134 nan 8.370 nan 0.000 0.521 641 V N 0.939 120.922 119.914 0.115 0.000 2.540 641 V HA 0.073 4.192 4.120 -0.001 0.000 0.297 641 V C -1.234 174.881 176.094 0.036 0.000 1.024 641 V CA -0.850 61.499 62.300 0.082 0.000 1.105 641 V CB 0.977 32.847 31.823 0.078 0.000 0.938 641 V HN -0.090 nan 8.190 nan 0.000 0.482 642 P HA 0.226 nan 4.420 nan 0.000 0.232 642 P C 1.038 178.294 177.300 -0.074 0.000 1.170 642 P CA 1.175 64.243 63.100 -0.054 0.000 0.824 642 P CB 0.580 32.171 31.700 -0.181 0.000 0.896 643 G N 0.223 108.961 108.800 -0.104 0.000 2.964 643 G HA2 0.207 4.167 3.960 -0.001 0.000 0.191 643 G HA3 0.207 4.167 3.960 -0.001 0.000 0.191 643 G C -0.199 174.669 174.900 -0.052 0.000 1.978 643 G CA 0.206 45.257 45.100 -0.081 0.000 0.861 643 G HN 0.348 nan 8.290 nan 0.000 0.584 644 S N -1.047 114.618 115.700 -0.058 0.000 2.568 644 S HA 0.400 4.869 4.470 -0.001 0.000 0.302 644 S C 0.189 174.755 174.600 -0.056 0.000 1.082 644 S CA -0.603 57.567 58.200 -0.050 0.000 1.009 644 S CB 1.803 64.967 63.200 -0.060 0.000 1.069 644 S HN 0.353 nan 8.310 nan 0.000 0.500 645 N N 1.919 120.595 118.700 -0.040 0.000 2.236 645 N HA 0.254 4.993 4.740 -0.001 0.000 0.196 645 N C 0.101 175.572 175.510 -0.064 0.000 1.114 645 N CA -0.115 52.913 53.050 -0.036 0.000 0.859 645 N CB -0.054 38.443 38.487 0.017 0.000 0.982 645 N HN 0.744 nan 8.380 nan 0.000 0.493 646 I N -1.850 118.670 120.570 -0.083 0.000 2.315 646 I HA 0.499 4.668 4.170 -0.001 0.000 0.291 646 I C 0.144 176.139 176.117 -0.203 0.000 1.006 646 I CA -0.420 60.817 61.300 -0.106 0.000 1.265 646 I CB 1.547 39.503 38.000 -0.074 0.000 1.387 646 I HN -0.203 nan 8.210 nan 0.000 0.475 647 T N 3.643 118.035 114.554 -0.269 0.000 2.565 647 T HA 0.848 5.197 4.350 -0.001 0.000 0.266 647 T C -0.107 174.296 174.700 -0.496 0.000 0.905 647 T CA 0.131 61.913 62.100 -0.530 0.000 1.122 647 T CB 1.023 69.565 68.868 -0.544 0.000 1.437 647 T HN 1.634 nan 8.240 nan 0.000 0.506 648 G N 0.639 109.024 108.800 -0.692 0.000 2.712 648 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.686 648 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.686 648 G C 0.301 175.194 174.900 -0.012 0.000 1.321 648 G CA -0.160 44.819 45.100 -0.202 0.000 0.813 648 G HN 0.781 nan 8.290 nan 0.000 0.599 649 I N 0.251 120.967 120.570 0.244 0.000 2.567 649 I HA -0.027 4.142 4.170 -0.001 0.000 0.257 649 I C 2.201 178.394 176.117 0.127 0.000 1.184 649 I CA 1.709 63.174 61.300 0.275 0.000 1.451 649 I CB -0.001 38.117 38.000 0.198 0.000 1.089 649 I HN 0.607 nan 8.210 nan 0.000 0.441 650 C N 0.325 119.653 119.300 0.047 0.000 2.742 650 C HA 0.324 4.783 4.460 -0.001 0.000 0.283 650 C C 0.972 175.959 174.990 -0.006 0.000 1.451 650 C CA -0.647 58.382 59.018 0.019 0.000 1.785 650 C CB -2.255 25.480 27.740 -0.008 0.000 2.664 650 C HN 0.536 nan 8.230 nan 0.000 0.544 651 N N 1.551 120.226 118.700 -0.042 0.000 2.708 651 N HA -0.216 4.523 4.740 -0.001 0.000 0.251 651 N C 0.629 176.114 175.510 -0.042 0.000 1.017 651 N CA 0.610 53.616 53.050 -0.072 0.000 0.742 651 N CB -0.292 38.168 38.487 -0.045 0.000 0.943 651 N HN 0.655 nan 8.380 nan 0.000 0.539 652 D N 0.254 120.630 120.400 -0.040 0.000 2.197 652 D HA -0.037 4.603 4.640 -0.001 0.000 0.212 652 D C 0.912 177.206 176.300 -0.009 0.000 0.963 652 D CA 1.008 55.004 54.000 -0.006 0.000 0.864 652 D CB 0.434 41.224 40.800 -0.016 0.000 1.009 652 D HN 0.648 nan 8.370 nan 0.000 0.479 653 E N 0.050 120.223 120.200 -0.045 0.000 2.281 653 E HA 0.366 4.715 4.350 -0.001 0.000 0.257 653 E C -0.497 176.082 176.600 -0.035 0.000 0.971 653 E CA -0.780 55.600 56.400 -0.033 0.000 0.839 653 E CB 1.306 30.972 29.700 -0.056 0.000 1.238 653 E HN -0.138 nan 8.360 nan 0.000 0.412 654 T N -1.661 112.912 114.554 0.032 0.000 2.928 654 T HA 0.235 4.584 4.350 -0.001 0.000 0.284 654 T C 1.055 175.737 174.700 -0.030 0.000 1.008 654 T CA -0.815 61.304 62.100 0.033 0.000 1.057 654 T CB 1.463 70.409 68.868 0.129 0.000 1.018 654 T HN 0.301 nan 8.240 nan 0.000 0.493 655 V N 0.202 120.046 119.914 -0.116 0.000 2.453 655 V HA 0.164 4.283 4.120 -0.001 0.000 0.247 655 V C -0.022 175.785 176.094 -0.478 0.000 1.048 655 V CA 1.107 63.218 62.300 -0.315 0.000 1.049 655 V CB -0.779 30.833 31.823 -0.351 0.000 0.672 655 V HN 0.786 nan 8.190 nan 0.000 0.457 656 F N -0.734 119.231 119.950 0.024 0.000 2.561 656 F HA 0.732 5.258 4.527 -0.001 0.000 0.313 656 F C 0.363 176.164 175.800 0.002 0.000 1.126 656 F CA -1.334 56.672 58.000 0.011 0.000 0.918 656 F CB 1.041 40.028 39.000 -0.023 0.000 1.199 656 F HN -0.063 nan 8.300 nan 0.000 0.444 657 A N 3.221 126.118 122.820 0.128 0.000 2.587 657 A HA 0.287 4.606 4.320 -0.001 0.000 0.233 657 A C 0.081 177.682 177.584 0.028 0.000 1.049 657 A CA 0.232 52.218 52.037 -0.086 0.000 0.754 657 A CB 0.111 18.855 19.000 -0.427 0.000 0.977 657 A HN 0.495 nan 8.150 nan 0.000 0.509 658 K N 1.692 122.116 120.400 0.039 0.000 2.572 658 K HA 0.255 4.574 4.320 -0.001 0.000 0.244 658 K C -0.430 176.196 176.600 0.043 0.000 0.965 658 K CA -0.165 56.152 56.287 0.050 0.000 0.943 658 K CB 0.709 33.247 32.500 0.063 0.000 1.154 658 K HN 0.813 nan 8.250 nan 0.000 0.447 659 D N 1.105 121.521 120.400 0.028 0.000 2.462 659 D HA -0.231 4.408 4.640 -0.001 0.000 0.172 659 D C -0.343 175.984 176.300 0.044 0.000 1.218 659 D CA 1.533 55.549 54.000 0.027 0.000 1.131 659 D CB -0.113 40.706 40.800 0.031 0.000 1.155 659 D HN 0.500 nan 8.370 nan 0.000 0.443 660 K N 0.016 120.455 120.400 0.065 0.000 2.469 660 K HA 0.577 4.896 4.320 -0.001 0.000 0.254 660 K C -0.493 176.180 176.600 0.121 0.000 0.939 660 K CA -0.801 55.557 56.287 0.118 0.000 0.812 660 K CB 3.512 36.110 32.500 0.163 0.000 1.301 660 K HN -0.027 nan 8.250 nan 0.000 0.433 661 V N -1.120 118.919 119.914 0.207 0.000 2.495 661 V HA 0.508 4.627 4.120 -0.001 0.000 0.298 661 V C 0.325 176.687 176.094 0.446 0.000 1.031 661 V CA -0.528 61.936 62.300 0.273 0.000 0.871 661 V CB 1.212 33.187 31.823 0.252 0.000 0.988 661 V HN 0.953 nan 8.190 nan 0.000 0.432 662 T N -0.270 114.627 114.554 0.573 0.000 3.248 662 T HA 0.480 4.830 4.350 -0.001 0.000 0.271 662 T C 0.113 174.841 174.700 0.047 0.000 1.005 662 T CA 0.225 62.427 62.100 0.170 0.000 0.902 662 T CB -0.810 68.054 68.868 -0.008 0.000 1.102 662 T HN 1.982 nan 8.240 nan 0.000 0.548 663 C N -1.120 118.261 119.300 0.135 0.000 3.038 663 C HA 0.502 4.961 4.460 -0.001 0.000 0.371 663 C C -0.686 174.367 174.990 0.104 0.000 1.115 663 C CA -1.214 57.842 59.018 0.063 0.000 1.091 663 C CB 0.456 28.193 27.740 -0.006 0.000 1.426 663 C HN 0.170 nan 8.230 nan 0.000 0.542 664 V N 3.861 123.811 119.914 0.060 0.000 2.409 664 V HA 0.529 4.649 4.120 -0.001 0.000 0.270 664 V C 1.576 177.724 176.094 0.091 0.000 1.019 664 V CA 2.369 64.704 62.300 0.059 0.000 1.066 664 V CB 0.127 31.965 31.823 0.025 0.000 1.021 664 V HN 2.285 nan 8.190 nan 0.000 0.476 665 G N 3.443 112.320 108.800 0.129 0.000 2.227 665 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.168 665 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.168 665 G C 0.121 175.135 174.900 0.190 0.000 1.006 665 G CA -0.100 45.082 45.100 0.136 0.000 0.684 665 G HN 0.805 nan 8.290 nan 0.000 0.489 666 H N 0.945 120.073 119.070 0.097 0.000 2.975 666 H HA 0.421 4.977 4.556 -0.001 0.000 0.303 666 H C 0.828 176.241 175.328 0.141 0.000 1.023 666 H CA -0.560 55.552 56.048 0.106 0.000 1.473 666 H CB 0.260 30.090 29.762 0.114 0.000 1.498 666 H HN 0.216 nan 8.280 nan 0.000 0.549 667 I N 7.505 128.317 120.570 0.403 0.000 2.581 667 I HA -0.153 4.016 4.170 -0.001 0.000 0.285 667 I C 0.962 177.246 176.117 0.278 0.000 1.129 667 I CA 0.435 61.917 61.300 0.302 0.000 1.397 667 I CB 0.595 38.752 38.000 0.261 0.000 1.399 667 I HN 0.736 nan 8.210 nan 0.000 0.537 668 I N 4.865 125.573 120.570 0.229 0.000 3.081 668 I HA 0.249 4.419 4.170 -0.001 0.000 0.274 668 I C 1.183 177.356 176.117 0.093 0.000 1.178 668 I CA 0.271 61.662 61.300 0.152 0.000 1.460 668 I CB 0.174 38.247 38.000 0.122 0.000 1.137 668 I HN 0.746 nan 8.210 nan 0.000 0.443 669 G N 0.228 109.046 108.800 0.030 0.000 2.428 669 G HA2 0.695 4.654 3.960 -0.001 0.000 0.304 669 G HA3 0.695 4.654 3.960 -0.001 0.000 0.304 669 G C -2.100 172.625 174.900 -0.291 0.000 1.303 669 G CA 0.072 44.770 45.100 -0.671 0.000 0.825 669 G HN 0.152 nan 8.290 nan 0.000 0.484 670 A N -1.269 121.200 122.820 -0.585 0.000 2.454 670 A HA 0.853 5.172 4.320 -0.001 0.000 0.302 670 A C -1.303 176.195 177.584 -0.144 0.000 1.079 670 A CA -0.668 51.281 52.037 -0.147 0.000 0.731 670 A CB 2.120 21.135 19.000 0.026 0.000 1.299 670 A HN 1.685 nan 8.150 nan 0.000 0.413 671 V N 1.696 121.672 119.914 0.104 0.000 2.513 671 V HA 0.588 4.708 4.120 -0.001 0.000 0.299 671 V C -0.852 175.298 176.094 0.092 0.000 1.035 671 V CA -0.330 62.101 62.300 0.219 0.000 0.889 671 V CB 1.798 33.837 31.823 0.360 0.000 0.988 671 V HN 0.725 nan 8.190 nan 0.000 0.440 672 V N 6.166 126.064 119.914 -0.027 0.000 2.378 672 V HA 0.891 5.010 4.120 -0.001 0.000 0.288 672 V C 0.254 176.267 176.094 -0.135 0.000 1.016 672 V CA 0.017 62.269 62.300 -0.081 0.000 0.840 672 V CB 1.041 32.787 31.823 -0.128 0.000 0.994 672 V HN 1.056 nan 8.190 nan 0.000 0.431 673 A N 3.412 126.232 122.820 0.000 0.000 2.475 673 A HA 0.717 5.036 4.320 -0.001 0.000 0.281 673 A C 0.738 178.365 177.584 0.073 0.000 1.263 673 A CA 0.007 52.077 52.037 0.055 0.000 0.776 673 A CB 1.222 20.339 19.000 0.195 0.000 1.347 673 A HN 0.699 nan 8.150 nan 0.000 0.443 674 D N -0.706 119.771 120.400 0.128 0.000 2.249 674 D HA 0.024 4.664 4.640 -0.001 0.000 0.205 674 D C 0.681 177.018 176.300 0.062 0.000 0.962 674 D CA 1.722 55.780 54.000 0.098 0.000 0.860 674 D CB -0.199 40.677 40.800 0.128 0.000 0.955 674 D HN 0.688 nan 8.370 nan 0.000 0.505 675 T N -4.491 110.099 114.554 0.061 0.000 2.864 675 T HA 0.442 4.791 4.350 -0.001 0.000 0.299 675 T C -2.513 172.197 174.700 0.016 0.000 1.166 675 T CA -1.623 60.462 62.100 -0.026 0.000 1.007 675 T CB 2.439 71.191 68.868 -0.194 0.000 1.219 675 T HN -0.401 nan 8.240 nan 0.000 0.506 676 P HA -0.008 nan 4.420 nan 0.000 0.216 676 P C 1.138 178.463 177.300 0.041 0.000 1.153 676 P CA 1.072 64.194 63.100 0.035 0.000 0.848 676 P CB 0.062 31.777 31.700 0.026 0.000 0.787 677 E N -1.580 118.616 120.200 -0.008 0.000 2.118 677 E HA -0.210 4.140 4.350 -0.001 0.000 0.195 677 E C 1.889 178.565 176.600 0.127 0.000 0.992 677 E CA 1.260 57.667 56.400 0.013 0.000 0.804 677 E CB -0.806 28.861 29.700 -0.056 0.000 0.741 677 E HN 0.540 nan 8.360 nan 0.000 0.458 678 H N -1.170 117.936 119.070 0.061 0.000 2.448 678 H HA 0.003 4.558 4.556 -0.001 0.000 0.292 678 H C 2.066 177.457 175.328 0.105 0.000 1.035 678 H CA 1.223 57.319 56.048 0.080 0.000 1.349 678 H CB 0.246 30.060 29.762 0.087 0.000 1.425 678 H HN 0.257 nan 8.280 nan 0.000 0.539 679 T N -1.138 113.547 114.554 0.219 0.000 2.995 679 T HA -0.168 4.181 4.350 -0.001 0.000 0.269 679 T C 1.972 176.764 174.700 0.155 0.000 1.091 679 T CA 1.077 63.288 62.100 0.185 0.000 1.128 679 T CB 0.046 68.999 68.868 0.142 0.000 0.891 679 T HN 0.195 nan 8.240 nan 0.000 0.492 680 Q N 1.499 121.375 119.800 0.126 0.000 2.049 680 Q HA 0.021 4.360 4.340 -0.001 0.000 0.198 680 Q C 2.573 178.626 176.000 0.088 0.000 0.971 680 Q CA 1.307 57.166 55.803 0.092 0.000 0.833 680 Q CB -0.182 28.592 28.738 0.060 0.000 0.896 680 Q HN 0.479 nan 8.270 nan 0.000 0.434 681 R N -0.055 120.505 120.500 0.100 0.000 2.073 681 R HA -0.087 4.252 4.340 -0.001 0.000 0.234 681 R C 2.268 178.597 176.300 0.049 0.000 1.134 681 R CA 1.282 57.423 56.100 0.067 0.000 0.952 681 R CB -0.762 29.583 30.300 0.075 0.000 0.850 681 R HN 0.383 nan 8.270 nan 0.000 0.433 682 A N 1.559 124.435 122.820 0.094 0.000 1.902 682 A HA -0.097 4.222 4.320 -0.001 0.000 0.217 682 A C 2.461 180.097 177.584 0.087 0.000 1.181 682 A CA 1.722 53.811 52.037 0.087 0.000 0.623 682 A CB -0.601 18.582 19.000 0.304 0.000 0.818 682 A HN 0.391 nan 8.150 nan 0.000 0.443 683 A N -0.563 122.334 122.820 0.129 0.000 1.865 683 A HA -0.257 4.063 4.320 -0.001 0.000 0.217 683 A C 2.047 179.671 177.584 0.067 0.000 1.191 683 A CA 1.755 53.867 52.037 0.125 0.000 0.623 683 A CB -0.717 18.362 19.000 0.131 0.000 0.826 683 A HN 0.633 nan 8.150 nan 0.000 0.444 684 Q N -0.828 119.001 119.800 0.049 0.000 2.508 684 Q HA -0.064 4.275 4.340 -0.001 0.000 0.214 684 Q C 1.658 177.651 176.000 -0.011 0.000 0.979 684 Q CA 0.699 56.518 55.803 0.025 0.000 0.911 684 Q CB -0.287 28.465 28.738 0.023 0.000 0.969 684 Q HN 0.694 nan 8.270 nan 0.000 0.504 685 G N -0.534 108.244 108.800 -0.037 0.000 3.042 685 G HA2 0.102 4.061 3.960 -0.001 0.000 0.212 685 G HA3 0.102 4.061 3.960 -0.001 0.000 0.212 685 G C 0.220 175.039 174.900 -0.134 0.000 1.166 685 G CA -0.203 44.840 45.100 -0.095 0.000 0.767 685 G HN 0.068 nan 8.290 nan 0.000 0.546 686 V N 1.556 121.401 119.914 -0.114 0.000 2.339 686 V HA 0.227 4.347 4.120 -0.001 0.000 0.261 686 V C 0.337 176.344 176.094 -0.145 0.000 1.058 686 V CA -0.716 61.467 62.300 -0.196 0.000 0.897 686 V CB 0.789 32.475 31.823 -0.230 0.000 1.052 686 V HN 0.213 nan 8.190 nan 0.000 0.480 687 K N 5.368 125.676 120.400 -0.154 0.000 2.249 687 K HA 0.601 4.920 4.320 -0.001 0.000 0.280 687 K C -0.835 175.675 176.600 -0.150 0.000 1.033 687 K CA -0.281 55.939 56.287 -0.113 0.000 0.946 687 K CB 0.690 33.133 32.500 -0.096 0.000 1.005 687 K HN 0.583 nan 8.250 nan 0.000 0.469 688 I N 2.660 123.148 120.570 -0.137 0.000 2.647 688 I HA 0.248 4.417 4.170 -0.001 0.000 0.295 688 I C -0.494 175.455 176.117 -0.279 0.000 1.078 688 I CA -0.945 60.194 61.300 -0.269 0.000 1.048 688 I CB 2.371 40.155 38.000 -0.361 0.000 1.239 688 I HN 0.666 nan 8.210 nan 0.000 0.421 689 T N 1.220 115.569 114.554 -0.342 0.000 2.824 689 T HA 0.681 5.030 4.350 -0.001 0.000 0.282 689 T C -0.947 173.595 174.700 -0.264 0.000 0.993 689 T CA -0.635 61.357 62.100 -0.181 0.000 0.967 689 T CB 1.035 69.851 68.868 -0.086 0.000 0.960 689 T HN 0.344 nan 8.240 nan 0.000 0.441 690 Y N 0.564 120.860 120.300 -0.007 0.000 2.650 690 Y HA 0.668 5.217 4.550 -0.001 0.000 0.331 690 Y C 0.591 176.483 175.900 -0.013 0.000 1.082 690 Y CA -1.294 56.802 58.100 -0.006 0.000 1.171 690 Y CB 1.704 40.166 38.460 0.003 0.000 1.326 690 Y HN 0.735 nan 8.280 nan 0.000 0.513 691 E N 1.405 121.709 120.200 0.175 0.000 2.402 691 E HA 0.148 4.497 4.350 -0.001 0.000 0.244 691 E C -1.235 175.385 176.600 0.034 0.000 0.945 691 E CA -0.573 55.869 56.400 0.070 0.000 0.774 691 E CB 0.670 30.388 29.700 0.030 0.000 1.296 691 E HN 0.509 nan 8.360 nan 0.000 0.414 692 E N 3.152 123.362 120.200 0.015 0.000 2.608 692 E HA 0.011 4.360 4.350 -0.001 0.000 0.259 692 E C -0.250 176.306 176.600 -0.074 0.000 0.951 692 E CA 0.741 57.123 56.400 -0.030 0.000 0.945 692 E CB 0.654 30.338 29.700 -0.025 0.000 0.916 692 E HN 0.518 nan 8.360 nan 0.000 0.477 693 L N 4.165 125.303 121.223 -0.143 0.000 2.341 693 L HA 0.394 4.733 4.340 -0.001 0.000 0.267 693 L C -2.205 174.591 176.870 -0.124 0.000 1.009 693 L CA -2.374 52.327 54.840 -0.232 0.000 0.819 693 L CB 1.778 43.469 42.059 -0.612 0.000 1.323 693 L HN 0.214 nan 8.230 nan 0.000 0.425 694 P HA 0.122 nan 4.420 nan 0.000 0.265 694 P C -1.129 176.255 177.300 0.141 0.000 1.193 694 P CA 0.051 63.166 63.100 0.025 0.000 0.765 694 P CB 0.717 32.426 31.700 0.015 0.000 0.823 695 A N 3.620 126.496 122.820 0.094 0.000 2.374 695 A HA 0.708 5.027 4.320 -0.001 0.000 0.317 695 A C -0.639 176.946 177.584 0.003 0.000 1.094 695 A CA -0.757 51.336 52.037 0.093 0.000 0.765 695 A CB 0.896 19.939 19.000 0.073 0.000 1.268 695 A HN 0.470 nan 8.150 nan 0.000 0.438 696 I N 3.518 124.061 120.570 -0.044 0.000 2.359 696 I HA 0.218 4.388 4.170 -0.001 0.000 0.284 696 I C -0.001 176.063 176.117 -0.088 0.000 1.018 696 I CA -0.343 60.910 61.300 -0.079 0.000 1.173 696 I CB 1.068 38.998 38.000 -0.116 0.000 1.326 696 I HN 0.581 nan 8.210 nan 0.000 0.462 697 I N 2.865 123.387 120.570 -0.081 0.000 2.900 697 I HA 0.024 4.193 4.170 -0.001 0.000 0.251 697 I C 1.594 177.649 176.117 -0.103 0.000 1.102 697 I CA 0.963 62.204 61.300 -0.098 0.000 1.457 697 I CB -0.632 37.314 38.000 -0.090 0.000 1.285 697 I HN 0.503 nan 8.210 nan 0.000 0.459 698 T N -0.631 113.874 114.554 -0.082 0.000 2.849 698 T HA 0.388 4.737 4.350 -0.001 0.000 0.284 698 T C 1.389 176.064 174.700 -0.042 0.000 1.004 698 T CA -0.377 61.684 62.100 -0.065 0.000 1.021 698 T CB 1.528 70.357 68.868 -0.064 0.000 1.013 698 T HN 0.090 nan 8.240 nan 0.000 0.527 699 I N 0.488 121.056 120.570 -0.004 0.000 2.493 699 I HA -0.101 4.069 4.170 -0.001 0.000 0.254 699 I C 2.412 178.509 176.117 -0.033 0.000 1.160 699 I CA 1.120 62.437 61.300 0.028 0.000 1.445 699 I CB -0.330 37.724 38.000 0.089 0.000 1.086 699 I HN 0.680 nan 8.210 nan 0.000 0.433 700 E N 0.867 121.030 120.200 -0.062 0.000 2.072 700 E HA -0.188 4.161 4.350 -0.001 0.000 0.191 700 E C 1.723 178.276 176.600 -0.078 0.000 0.985 700 E CA 1.118 57.467 56.400 -0.086 0.000 0.801 700 E CB -0.253 29.400 29.700 -0.078 0.000 0.750 700 E HN 0.372 nan 8.360 nan 0.000 0.452 701 D N 0.261 120.616 120.400 -0.075 0.000 2.097 701 D HA -0.138 4.502 4.640 -0.001 0.000 0.195 701 D C 1.816 178.044 176.300 -0.119 0.000 0.989 701 D CA 1.620 55.570 54.000 -0.084 0.000 0.827 701 D CB -0.481 40.272 40.800 -0.078 0.000 0.966 701 D HN 0.201 nan 8.370 nan 0.000 0.456 702 A N 0.986 123.728 122.820 -0.131 0.000 1.845 702 A HA -0.164 4.156 4.320 -0.001 0.000 0.215 702 A C 2.422 179.816 177.584 -0.316 0.000 1.195 702 A CA 1.162 53.057 52.037 -0.237 0.000 0.616 702 A CB -0.924 17.976 19.000 -0.167 0.000 0.832 702 A HN 0.199 nan 8.150 nan 0.000 0.443 703 I N -0.447 120.059 120.570 -0.107 0.000 2.194 703 I HA -0.325 3.845 4.170 -0.001 0.000 0.246 703 I C 2.607 178.703 176.117 -0.034 0.000 1.093 703 I CA 2.086 63.412 61.300 0.043 0.000 1.355 703 I CB -0.302 37.703 38.000 0.007 0.000 1.046 703 I HN 0.408 nan 8.210 nan 0.000 0.413 704 K N 0.720 121.075 120.400 -0.076 0.000 2.148 704 K HA -0.128 4.191 4.320 -0.001 0.000 0.204 704 K C 1.489 178.039 176.600 -0.083 0.000 1.050 704 K CA 1.167 57.417 56.287 -0.062 0.000 0.942 704 K CB 0.047 32.511 32.500 -0.060 0.000 0.724 704 K HN 0.336 nan 8.250 nan 0.000 0.446 705 N N 1.100 119.714 118.700 -0.143 0.000 2.280 705 N HA -0.066 4.673 4.740 -0.001 0.000 0.192 705 N C -0.336 175.047 175.510 -0.213 0.000 1.109 705 N CA 0.231 53.189 53.050 -0.153 0.000 0.855 705 N CB 0.197 38.592 38.487 -0.155 0.000 0.974 705 N HN 0.221 nan 8.380 nan 0.000 0.482 706 N N 0.408 118.931 118.700 -0.295 0.000 2.735 706 N HA -0.192 4.547 4.740 -0.001 0.000 0.248 706 N C -0.975 174.174 175.510 -0.602 0.000 1.083 706 N CA 0.381 53.219 53.050 -0.355 0.000 0.703 706 N CB -1.165 37.280 38.487 -0.070 0.000 1.005 706 N HN -0.009 nan 8.380 nan 0.000 0.550 707 S N 0.921 116.111 115.700 -0.850 0.000 2.642 707 S HA 0.561 5.031 4.470 -0.001 0.000 0.309 707 S C -0.821 173.294 174.600 -0.809 0.000 1.125 707 S CA -0.472 57.340 58.200 -0.646 0.000 1.055 707 S CB -0.326 62.617 63.200 -0.428 0.000 1.157 707 S HN 0.295 nan 8.310 nan 0.000 0.513 708 F N 2.451 122.319 119.950 -0.137 0.000 2.620 708 F HA 0.477 5.004 4.527 -0.001 0.000 0.320 708 F C -0.754 174.935 175.800 -0.186 0.000 1.069 708 F CA -1.348 56.579 58.000 -0.122 0.000 0.953 708 F CB 0.954 39.940 39.000 -0.024 0.000 1.322 708 F HN 0.266 nan 8.300 nan 0.000 0.479 709 Y N 1.289 121.711 120.300 0.203 0.000 2.404 709 Y HA 0.520 5.069 4.550 -0.001 0.000 0.344 709 Y C 0.759 176.695 175.900 0.062 0.000 0.970 709 Y CA -0.127 58.028 58.100 0.091 0.000 1.180 709 Y CB 0.824 39.318 38.460 0.056 0.000 1.138 709 Y HN 0.851 nan 8.280 nan 0.000 0.510 710 G N 4.627 113.537 108.800 0.183 0.000 2.750 710 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.228 710 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.228 710 G C -2.720 172.209 174.900 0.049 0.000 1.367 710 G CA -0.931 44.224 45.100 0.092 0.000 0.871 710 G HN 0.536 nan 8.290 nan 0.000 0.560 711 P HA 0.408 nan 4.420 nan 0.000 0.281 711 P C -0.322 176.908 177.300 -0.116 0.000 1.281 711 P CA -0.584 62.489 63.100 -0.045 0.000 0.811 711 P CB 1.031 32.710 31.700 -0.034 0.000 1.154 712 E N 0.228 120.342 120.200 -0.144 0.000 2.414 712 E HA 0.135 4.485 4.350 -0.001 0.000 0.263 712 E C -0.658 175.850 176.600 -0.154 0.000 1.000 712 E CA -0.181 56.104 56.400 -0.191 0.000 0.914 712 E CB 0.098 29.699 29.700 -0.166 0.000 0.948 712 E HN 0.289 nan 8.360 nan 0.000 0.444 713 L N 4.674 125.787 121.223 -0.183 0.000 2.309 713 L HA 0.519 4.858 4.340 -0.001 0.000 0.282 713 L C 0.013 176.845 176.870 -0.064 0.000 1.036 713 L CA -0.469 54.261 54.840 -0.183 0.000 0.806 713 L CB 1.305 43.198 42.059 -0.277 0.000 1.220 713 L HN 0.513 nan 8.230 nan 0.000 0.429 714 K N 3.388 123.823 120.400 0.058 0.000 2.562 714 K HA 0.659 4.978 4.320 -0.001 0.000 0.267 714 K C -1.911 174.845 176.600 0.260 0.000 0.938 714 K CA -0.558 55.811 56.287 0.136 0.000 0.840 714 K CB 2.252 34.801 32.500 0.082 0.000 1.390 714 K HN 0.549 nan 8.250 nan 0.000 0.428 715 I N 2.314 123.017 120.570 0.223 0.000 2.499 715 I HA 0.356 4.525 4.170 -0.001 0.000 0.288 715 I C -1.152 175.086 176.117 0.202 0.000 1.048 715 I CA -0.624 60.812 61.300 0.227 0.000 1.062 715 I CB 2.193 40.335 38.000 0.237 0.000 1.238 715 I HN 0.675 nan 8.210 nan 0.000 0.426 716 E N 6.558 126.859 120.200 0.168 0.000 2.278 716 E HA 0.447 4.797 4.350 -0.001 0.000 0.272 716 E C -1.588 175.078 176.600 0.110 0.000 0.890 716 E CA -0.798 55.680 56.400 0.130 0.000 0.770 716 E CB 2.349 32.108 29.700 0.099 0.000 1.212 716 E HN 0.533 nan 8.360 nan 0.000 0.415 717 K N 3.376 123.835 120.400 0.099 0.000 2.468 717 K HA 0.684 5.003 4.320 -0.001 0.000 0.252 717 K C -0.168 176.450 176.600 0.031 0.000 0.932 717 K CA 0.191 56.520 56.287 0.072 0.000 0.794 717 K CB 1.653 34.211 32.500 0.098 0.000 1.241 717 K HN 0.753 nan 8.250 nan 0.000 0.428 718 G N 2.296 111.104 108.800 0.014 0.000 2.508 718 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.220 718 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.220 718 G C -1.407 173.483 174.900 -0.016 0.000 1.287 718 G CA -0.099 44.994 45.100 -0.012 0.000 0.916 718 G HN 0.654 nan 8.290 nan 0.000 0.574 719 D N 0.595 120.971 120.400 -0.039 0.000 2.389 719 D HA 0.470 5.109 4.640 -0.001 0.000 0.256 719 D C 1.743 178.004 176.300 -0.066 0.000 1.239 719 D CA -0.461 53.519 54.000 -0.033 0.000 0.925 719 D CB 0.800 41.584 40.800 -0.026 0.000 1.145 719 D HN 0.350 nan 8.370 nan 0.000 0.542 720 L N 2.478 123.671 121.223 -0.051 0.000 2.042 720 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 720 L C 2.438 179.312 176.870 0.008 0.000 1.076 720 L CA 1.047 55.835 54.840 -0.087 0.000 0.749 720 L CB -0.049 42.041 42.059 0.051 0.000 0.893 720 L HN 0.290 nan 8.230 nan 0.000 0.432 721 K N -0.223 120.219 120.400 0.071 0.000 2.032 721 K HA -0.221 4.098 4.320 -0.001 0.000 0.209 721 K C 2.279 178.913 176.600 0.057 0.000 1.048 721 K CA 1.168 57.516 56.287 0.101 0.000 0.927 721 K CB -0.100 32.438 32.500 0.064 0.000 0.712 721 K HN 0.077 nan 8.250 nan 0.000 0.441 722 K N 0.781 121.183 120.400 0.004 0.000 2.002 722 K HA -0.134 4.186 4.320 -0.001 0.000 0.209 722 K C 2.120 178.691 176.600 -0.048 0.000 1.048 722 K CA 1.906 58.183 56.287 -0.017 0.000 0.930 722 K CB -0.778 31.704 32.500 -0.029 0.000 0.714 722 K HN 0.235 nan 8.250 nan 0.000 0.438 723 G N 0.653 109.378 108.800 -0.125 0.000 2.529 723 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.219 723 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.219 723 G C 1.488 176.255 174.900 -0.223 0.000 1.177 723 G CA 1.105 46.064 45.100 -0.235 0.000 0.773 723 G HN 0.294 nan 8.290 nan 0.000 0.573 724 F N 1.937 121.861 119.950 -0.044 0.000 2.259 724 F HA -0.019 4.507 4.527 -0.001 0.000 0.298 724 F C 3.137 178.903 175.800 -0.056 0.000 1.088 724 F CA 1.305 59.273 58.000 -0.054 0.000 1.358 724 F CB -0.435 38.538 39.000 -0.045 0.000 1.040 724 F HN 0.285 nan 8.300 nan 0.000 0.505 725 S N -0.903 114.873 115.700 0.126 0.000 2.453 725 S HA -0.152 4.317 4.470 -0.001 0.000 0.231 725 S C 1.839 176.449 174.600 0.017 0.000 1.005 725 S CA 1.059 59.294 58.200 0.057 0.000 0.949 725 S CB -0.485 62.738 63.200 0.039 0.000 0.774 725 S HN 0.519 nan 8.310 nan 0.000 0.510 726 E N 1.263 121.463 120.200 -0.001 0.000 2.230 726 E HA 0.281 4.631 4.350 -0.001 0.000 0.192 726 E C 0.752 177.330 176.600 -0.037 0.000 0.987 726 E CA 0.280 56.665 56.400 -0.025 0.000 0.841 726 E CB 0.004 29.679 29.700 -0.042 0.000 0.783 726 E HN 0.697 nan 8.360 nan 0.000 0.481 727 A N 1.219 124.018 122.820 -0.034 0.000 2.425 727 A HA 0.011 4.330 4.320 -0.001 0.000 0.249 727 A C 0.340 177.863 177.584 -0.101 0.000 1.084 727 A CA -0.229 51.767 52.037 -0.069 0.000 0.781 727 A CB 0.378 19.352 19.000 -0.044 0.000 1.019 727 A HN 0.139 nan 8.150 nan 0.000 0.490 728 D N 0.627 120.934 120.400 -0.154 0.000 2.234 728 D HA 0.001 4.640 4.640 -0.001 0.000 0.205 728 D C -0.058 176.096 176.300 -0.243 0.000 0.962 728 D CA 1.194 55.099 54.000 -0.158 0.000 0.855 728 D CB 0.162 40.886 40.800 -0.127 0.000 0.951 728 D HN 0.521 nan 8.370 nan 0.000 0.500 729 N N -0.439 117.989 118.700 -0.454 0.000 2.277 729 N HA 0.336 5.076 4.740 -0.001 0.000 0.286 729 N C -1.351 173.830 175.510 -0.548 0.000 1.140 729 N CA -0.408 52.297 53.050 -0.575 0.000 0.799 729 N CB 3.301 41.245 38.487 -0.905 0.000 1.596 729 N HN -0.290 nan 8.380 nan 0.000 0.473 730 V N 1.258 121.033 119.914 -0.230 0.000 2.709 730 V HA 0.560 4.679 4.120 -0.001 0.000 0.308 730 V C -0.604 175.541 176.094 0.085 0.000 1.062 730 V CA -0.676 61.607 62.300 -0.028 0.000 0.901 730 V CB 2.312 34.095 31.823 -0.067 0.000 1.003 730 V HN 0.362 nan 8.190 nan 0.000 0.425 731 V N 3.115 123.163 119.914 0.224 0.000 2.577 731 V HA 0.570 4.689 4.120 -0.001 0.000 0.303 731 V C -0.222 175.967 176.094 0.157 0.000 1.042 731 V CA -0.294 62.144 62.300 0.231 0.000 0.872 731 V CB 2.433 34.488 31.823 0.387 0.000 0.998 731 V HN 0.897 nan 8.190 nan 0.000 0.423 732 S N 2.381 118.101 115.700 0.033 0.000 2.501 732 S HA 0.947 5.416 4.470 -0.001 0.000 0.301 732 S C 0.213 174.652 174.600 -0.269 0.000 1.096 732 S CA -0.248 57.883 58.200 -0.115 0.000 1.063 732 S CB 1.915 65.041 63.200 -0.123 0.000 1.042 732 S HN 1.195 nan 8.310 nan 0.000 0.494 733 G N 0.718 109.048 108.800 -0.783 0.000 2.645 733 G HA2 0.645 4.604 3.960 -0.001 0.000 0.292 733 G HA3 0.645 4.604 3.960 -0.001 0.000 0.292 733 G C -2.010 172.348 174.900 -0.903 0.000 1.415 733 G CA -0.545 44.008 45.100 -0.913 0.000 0.785 733 G HN 0.582 nan 8.290 nan 0.000 0.483 734 E N -1.160 118.842 120.200 -0.330 0.000 2.366 734 E HA 0.587 4.936 4.350 -0.001 0.000 0.278 734 E C -1.682 175.031 176.600 0.188 0.000 0.923 734 E CA -0.755 55.627 56.400 -0.031 0.000 0.761 734 E CB 2.427 32.118 29.700 -0.016 0.000 1.231 734 E HN 0.644 nan 8.360 nan 0.000 0.443 735 I N 0.094 120.825 120.570 0.270 0.000 2.775 735 I HA 0.416 4.586 4.170 -0.001 0.000 0.295 735 I C -1.604 174.693 176.117 0.299 0.000 1.287 735 I CA -0.923 60.547 61.300 0.282 0.000 1.029 735 I CB 1.006 39.178 38.000 0.286 0.000 1.282 735 I HN 0.468 nan 8.210 nan 0.000 0.426 736 Y N 5.395 125.788 120.300 0.155 0.000 2.377 736 Y HA 0.841 5.390 4.550 -0.001 0.000 0.339 736 Y C -1.028 174.959 175.900 0.145 0.000 1.011 736 Y CA -1.126 57.068 58.100 0.157 0.000 1.093 736 Y CB 1.559 40.096 38.460 0.128 0.000 1.201 736 Y HN 0.581 nan 8.280 nan 0.000 0.455 737 I N 6.315 126.594 120.570 -0.486 0.000 2.411 737 I HA 0.392 4.562 4.170 -0.001 0.000 0.284 737 I C 0.627 176.422 176.117 -0.538 0.000 1.012 737 I CA -0.912 60.196 61.300 -0.321 0.000 1.119 737 I CB 1.329 39.246 38.000 -0.138 0.000 1.261 737 I HN 0.858 nan 8.210 nan 0.000 0.448 738 G N 3.972 112.614 108.800 -0.262 0.000 2.594 738 G HA2 0.400 4.359 3.960 -0.001 0.000 0.243 738 G HA3 0.400 4.359 3.960 -0.001 0.000 0.243 738 G C 0.537 175.408 174.900 -0.048 0.000 1.229 738 G CA -0.102 44.959 45.100 -0.064 0.000 0.843 738 G HN 0.723 nan 8.290 nan 0.000 0.578 739 G N -1.051 107.766 108.800 0.029 0.000 2.525 739 G HA2 0.479 4.439 3.960 -0.001 0.000 0.276 739 G HA3 0.479 4.439 3.960 -0.001 0.000 0.276 739 G C -0.157 174.719 174.900 -0.040 0.000 1.388 739 G CA -0.124 44.978 45.100 0.003 0.000 1.050 739 G HN 0.784 nan 8.290 nan 0.000 0.520 740 Q N -1.476 118.275 119.800 -0.081 0.000 2.403 740 Q HA 0.230 4.569 4.340 -0.001 0.000 0.267 740 Q C -1.771 174.248 176.000 0.032 0.000 0.991 740 Q CA -0.667 55.087 55.803 -0.082 0.000 0.906 740 Q CB 2.091 30.553 28.738 -0.459 0.000 1.422 740 Q HN 0.441 nan 8.270 nan 0.000 0.400 741 E N 1.995 122.225 120.200 0.049 0.000 2.200 741 E HA 0.128 4.478 4.350 -0.001 0.000 0.283 741 E C 0.050 176.758 176.600 0.181 0.000 1.015 741 E CA 0.143 56.518 56.400 -0.042 0.000 0.819 741 E CB 0.675 30.113 29.700 -0.437 0.000 1.081 741 E HN 0.754 nan 8.360 nan 0.000 0.397 742 H N 4.020 123.144 119.070 0.091 0.000 2.321 742 H HA -0.182 4.373 4.556 -0.001 0.000 0.295 742 H C 0.528 175.728 175.328 -0.214 0.000 1.102 742 H CA 1.459 57.308 56.048 -0.331 0.000 1.266 742 H CB -0.358 29.033 29.762 -0.619 0.000 1.363 742 H HN 0.637 nan 8.280 nan 0.000 0.492 743 F N 0.093 119.807 119.950 -0.393 0.000 3.027 743 F HA -0.253 4.274 4.527 -0.001 0.000 0.276 743 F C -0.841 174.874 175.800 -0.141 0.000 0.967 743 F CA -0.512 57.342 58.000 -0.244 0.000 0.929 743 F CB -1.900 37.124 39.000 0.040 0.000 0.873 743 F HN 0.151 nan 8.300 nan 0.000 0.787 744 Y N 0.216 120.648 120.300 0.219 0.000 2.511 744 Y HA 0.233 4.782 4.550 -0.001 0.000 0.332 744 Y C 1.185 177.103 175.900 0.030 0.000 1.177 744 Y CA -1.347 56.917 58.100 0.273 0.000 1.422 744 Y CB 0.050 38.548 38.460 0.064 0.000 1.271 744 Y HN 0.138 nan 8.280 nan 0.000 0.550 745 L N 1.232 122.615 121.223 0.267 0.000 2.079 745 L HA -0.147 4.192 4.340 -0.001 0.000 0.210 745 L C 1.080 177.819 176.870 -0.219 0.000 1.081 745 L CA 1.663 56.609 54.840 0.177 0.000 0.752 745 L CB -0.562 41.715 42.059 0.364 0.000 0.896 745 L HN 0.882 nan 8.230 nan 0.000 0.433 746 E N 0.621 120.403 120.200 -0.697 0.000 2.081 746 E HA 0.163 4.512 4.350 -0.001 0.000 0.281 746 E C 0.038 176.339 176.600 -0.499 0.000 0.986 746 E CA -0.308 55.392 56.400 -1.168 0.000 0.796 746 E CB 0.922 29.661 29.700 -1.601 0.000 1.085 746 E HN 0.268 nan 8.360 nan 0.000 0.398 747 T N 1.603 115.986 114.554 -0.284 0.000 2.652 747 T HA 0.063 4.412 4.350 -0.001 0.000 0.319 747 T C 0.659 175.158 174.700 -0.336 0.000 1.029 747 T CA -0.456 61.551 62.100 -0.154 0.000 0.990 747 T CB 0.263 69.147 68.868 0.026 0.000 1.098 747 T HN 0.456 nan 8.240 nan 0.000 0.520 748 H N -0.861 118.072 119.070 -0.228 0.000 2.848 748 H HA 0.357 4.912 4.556 -0.001 0.000 0.341 748 H C -0.093 175.172 175.328 -0.104 0.000 1.060 748 H CA 0.085 56.011 56.048 -0.204 0.000 1.444 748 H CB 0.539 30.224 29.762 -0.128 0.000 1.446 748 H HN 0.697 nan 8.280 nan 0.000 0.583 749 C N 3.308 122.608 119.300 0.001 0.000 2.891 749 C HA 0.419 4.878 4.460 -0.001 0.000 0.342 749 C C -0.685 174.336 174.990 0.052 0.000 1.126 749 C CA -0.214 58.823 59.018 0.032 0.000 1.322 749 C CB 1.193 28.941 27.740 0.013 0.000 1.763 749 C HN 0.877 nan 8.230 nan 0.000 0.491 750 T N 5.925 120.525 114.554 0.076 0.000 2.952 750 T HA 0.589 4.938 4.350 -0.001 0.000 0.305 750 T C -1.067 173.704 174.700 0.118 0.000 1.064 750 T CA -0.215 61.940 62.100 0.092 0.000 1.008 750 T CB 1.129 70.042 68.868 0.074 0.000 1.078 750 T HN 0.581 nan 8.240 nan 0.000 0.459 751 I N 2.445 123.119 120.570 0.174 0.000 2.418 751 I HA 0.669 4.838 4.170 -0.001 0.000 0.287 751 I C -0.146 176.116 176.117 0.241 0.000 1.008 751 I CA -0.994 60.433 61.300 0.211 0.000 1.104 751 I CB 1.613 39.769 38.000 0.261 0.000 1.264 751 I HN 0.686 nan 8.210 nan 0.000 0.438 752 A N 6.639 129.565 122.820 0.177 0.000 2.304 752 A HA 0.717 5.036 4.320 -0.001 0.000 0.314 752 A C -0.554 177.116 177.584 0.142 0.000 1.187 752 A CA -0.569 51.551 52.037 0.138 0.000 0.810 752 A CB 1.257 20.311 19.000 0.090 0.000 1.183 752 A HN 0.572 nan 8.150 nan 0.000 0.487 753 V N 1.348 121.350 119.914 0.148 0.000 2.334 753 V HA 0.693 4.812 4.120 -0.001 0.000 0.281 753 V C -2.756 173.360 176.094 0.038 0.000 1.016 753 V CA -2.319 60.041 62.300 0.100 0.000 0.832 753 V CB 1.270 33.197 31.823 0.173 0.000 0.999 753 V HN 0.680 nan 8.190 nan 0.000 0.439 754 P HA 0.343 nan 4.420 nan 0.000 0.282 754 P C -0.060 177.230 177.300 -0.017 0.000 1.262 754 P CA -0.318 62.790 63.100 0.013 0.000 0.773 754 P CB 1.673 33.386 31.700 0.021 0.000 0.879 755 K N 2.511 122.907 120.400 -0.005 0.000 2.296 755 K HA 0.057 4.376 4.320 -0.001 0.000 0.200 755 K C 1.636 178.226 176.600 -0.017 0.000 1.048 755 K CA 1.052 57.329 56.287 -0.017 0.000 0.966 755 K CB -0.837 31.660 32.500 -0.005 0.000 0.754 755 K HN 0.826 nan 8.250 nan 0.000 0.466 756 G N 1.276 110.073 108.800 -0.005 0.000 2.225 756 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.254 756 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.254 756 G C -0.132 174.769 174.900 0.002 0.000 0.988 756 G CA 0.199 45.294 45.100 -0.007 0.000 0.625 756 G HN 0.397 nan 8.290 nan 0.000 0.527 757 E N -0.478 119.725 120.200 0.006 0.000 2.195 757 E HA 0.604 4.953 4.350 -0.001 0.000 0.271 757 E C 1.003 177.611 176.600 0.015 0.000 0.923 757 E CA -0.485 55.919 56.400 0.008 0.000 0.790 757 E CB 1.497 31.199 29.700 0.003 0.000 1.155 757 E HN 1.333 nan 8.360 nan 0.000 0.402 758 A N 2.698 125.528 122.820 0.016 0.000 2.711 758 A HA -0.286 4.033 4.320 -0.001 0.000 0.304 758 A C 1.360 178.958 177.584 0.024 0.000 1.495 758 A CA 1.433 53.480 52.037 0.017 0.000 0.971 758 A CB -2.191 16.815 19.000 0.009 0.000 0.935 758 A HN 1.329 nan 8.150 nan 0.000 0.526 759 G N -2.225 106.599 108.800 0.040 0.000 2.143 759 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.248 759 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.248 759 G C -0.165 174.755 174.900 0.034 0.000 0.991 759 G CA 0.706 45.839 45.100 0.054 0.000 0.689 759 G HN 1.077 nan 8.290 nan 0.000 0.522 760 E N -0.605 119.608 120.200 0.022 0.000 2.398 760 E HA 0.549 4.898 4.350 -0.001 0.000 0.263 760 E C 0.376 176.984 176.600 0.013 0.000 1.046 760 E CA 0.257 56.663 56.400 0.010 0.000 0.908 760 E CB 0.802 30.504 29.700 0.003 0.000 0.963 760 E HN 0.430 nan 8.360 nan 0.000 0.431 761 M N 2.253 121.853 119.600 0.000 0.000 2.322 761 M HA 0.192 4.671 4.480 -0.001 0.000 0.285 761 M C -1.736 174.545 176.300 -0.031 0.000 1.119 761 M CA -0.407 54.893 55.300 0.001 0.000 0.953 761 M CB 2.026 34.635 32.600 0.016 0.000 1.701 761 M HN 0.456 nan 8.290 nan 0.000 0.479 762 E N 4.059 124.236 120.200 -0.038 0.000 2.151 762 E HA 0.601 4.951 4.350 -0.001 0.000 0.275 762 E C -2.011 174.486 176.600 -0.171 0.000 0.936 762 E CA -0.613 55.708 56.400 -0.131 0.000 0.777 762 E CB 1.292 30.928 29.700 -0.105 0.000 1.108 762 E HN 0.628 nan 8.360 nan 0.000 0.401 763 L N 5.091 126.147 121.223 -0.278 0.000 2.349 763 L HA 0.421 4.761 4.340 -0.001 0.000 0.278 763 L C -1.164 175.502 176.870 -0.339 0.000 0.996 763 L CA -0.327 54.395 54.840 -0.196 0.000 0.825 763 L CB 1.143 43.159 42.059 -0.073 0.000 1.243 763 L HN 0.548 nan 8.230 nan 0.000 0.412 764 F N 3.381 123.350 119.950 0.031 0.000 2.391 764 F HA 0.660 5.187 4.527 -0.001 0.000 0.359 764 F C 0.098 175.906 175.800 0.012 0.000 1.122 764 F CA -0.735 57.278 58.000 0.021 0.000 1.120 764 F CB 1.247 40.266 39.000 0.031 0.000 1.142 764 F HN 0.043 nan 8.300 nan 0.000 0.483 765 V N 1.554 121.531 119.914 0.104 0.000 2.841 765 V HA 0.324 4.443 4.120 -0.001 0.000 0.310 765 V C -0.303 175.795 176.094 0.006 0.000 1.090 765 V CA -1.088 61.241 62.300 0.049 0.000 0.930 765 V CB 2.128 33.955 31.823 0.007 0.000 1.014 765 V HN 0.646 nan 8.190 nan 0.000 0.425 766 S N 2.649 118.328 115.700 -0.036 0.000 3.036 766 S HA 0.455 4.925 4.470 -0.001 0.000 0.301 766 S C -0.136 174.359 174.600 -0.175 0.000 1.205 766 S CA 0.041 58.169 58.200 -0.120 0.000 0.999 766 S CB -0.424 62.653 63.200 -0.205 0.000 1.337 766 S HN 0.996 nan 8.310 nan 0.000 0.515 767 T N 2.902 117.380 114.554 -0.126 0.000 2.900 767 T HA 0.375 4.724 4.350 -0.001 0.000 0.303 767 T C 0.248 174.883 174.700 -0.109 0.000 1.142 767 T CA -0.572 61.453 62.100 -0.124 0.000 1.007 767 T CB 1.670 70.493 68.868 -0.076 0.000 1.156 767 T HN 0.546 nan 8.240 nan 0.000 0.490 768 Q N 1.468 121.206 119.800 -0.103 0.000 2.356 768 Q HA 0.266 4.606 4.340 -0.001 0.000 0.205 768 Q C 0.124 176.092 176.000 -0.053 0.000 0.901 768 Q CA -0.091 55.666 55.803 -0.076 0.000 0.938 768 Q CB 0.358 29.055 28.738 -0.069 0.000 1.081 768 Q HN 0.292 nan 8.270 nan 0.000 0.517 769 N N 1.055 119.714 118.700 -0.068 0.000 2.851 769 N HA 0.043 4.782 4.740 -0.001 0.000 0.248 769 N C 0.426 175.877 175.510 -0.099 0.000 1.221 769 N CA 0.078 53.079 53.050 -0.082 0.000 0.847 769 N CB 1.094 39.518 38.487 -0.106 0.000 1.150 769 N HN 0.164 nan 8.380 nan 0.000 0.507 770 T N -0.201 114.306 114.554 -0.078 0.000 2.821 770 T HA -0.151 4.198 4.350 -0.001 0.000 0.267 770 T C 1.870 176.514 174.700 -0.092 0.000 1.046 770 T CA 0.714 62.767 62.100 -0.079 0.000 1.139 770 T CB -0.009 68.823 68.868 -0.061 0.000 0.871 770 T HN 0.396 nan 8.240 nan 0.000 0.454 771 M N 0.396 119.942 119.600 -0.091 0.000 2.086 771 M HA -0.074 4.405 4.480 -0.001 0.000 0.261 771 M C 2.117 178.326 176.300 -0.151 0.000 1.067 771 M CA 1.636 56.879 55.300 -0.095 0.000 1.116 771 M CB -0.144 32.412 32.600 -0.074 0.000 1.348 771 M HN 0.022 nan 8.290 nan 0.000 0.407 772 K N -0.355 119.903 120.400 -0.237 0.000 2.217 772 K HA -0.035 4.285 4.320 -0.001 0.000 0.202 772 K C 1.832 178.141 176.600 -0.484 0.000 1.051 772 K CA 1.543 57.548 56.287 -0.471 0.000 0.952 772 K CB -0.586 31.537 32.500 -0.629 0.000 0.736 772 K HN 0.438 nan 8.250 nan 0.000 0.453 773 T N 1.447 115.842 114.554 -0.265 0.000 2.737 773 T HA -0.169 4.180 4.350 -0.001 0.000 0.265 773 T C 1.907 176.560 174.700 -0.079 0.000 1.038 773 T CA 1.297 63.308 62.100 -0.149 0.000 1.144 773 T CB -0.032 68.778 68.868 -0.097 0.000 0.866 773 T HN 0.357 nan 8.240 nan 0.000 0.434 774 Q N 0.655 120.404 119.800 -0.084 0.000 2.050 774 Q HA -0.126 4.214 4.340 -0.001 0.000 0.202 774 Q C 2.385 178.378 176.000 -0.011 0.000 0.980 774 Q CA 1.675 57.449 55.803 -0.048 0.000 0.840 774 Q CB -0.135 28.570 28.738 -0.055 0.000 0.898 774 Q HN 0.404 nan 8.270 nan 0.000 0.424 775 S N 0.151 115.844 115.700 -0.012 0.000 2.345 775 S HA -0.074 4.395 4.470 -0.001 0.000 0.220 775 S C 1.570 176.306 174.600 0.228 0.000 1.031 775 S CA 0.947 59.194 58.200 0.079 0.000 0.996 775 S CB -0.328 62.922 63.200 0.084 0.000 0.882 775 S HN 0.361 nan 8.310 nan 0.000 0.445 776 F N 1.600 121.526 119.950 -0.039 0.000 2.161 776 F HA -0.052 4.475 4.527 -0.001 0.000 0.300 776 F C 2.401 178.166 175.800 -0.058 0.000 1.089 776 F CA -0.067 57.905 58.000 -0.047 0.000 1.282 776 F CB -1.352 37.620 39.000 -0.047 0.000 1.010 776 F HN 0.017 nan 8.300 nan 0.000 0.485 777 V N -0.218 119.782 119.914 0.143 0.000 2.358 777 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 777 V C 2.593 178.691 176.094 0.007 0.000 1.047 777 V CA 1.548 63.875 62.300 0.045 0.000 1.035 777 V CB -1.254 30.581 31.823 0.020 0.000 0.658 777 V HN 0.313 nan 8.190 nan 0.000 0.452 778 A N -0.320 122.509 122.820 0.017 0.000 1.898 778 A HA -0.245 4.074 4.320 -0.001 0.000 0.216 778 A C 2.341 179.912 177.584 -0.022 0.000 1.181 778 A CA 2.074 54.105 52.037 -0.010 0.000 0.620 778 A CB -0.456 18.543 19.000 -0.001 0.000 0.819 778 A HN 0.492 nan 8.150 nan 0.000 0.442 779 K N -1.089 119.313 120.400 0.003 0.000 2.148 779 K HA -0.107 4.212 4.320 -0.001 0.000 0.204 779 K C 2.070 178.634 176.600 -0.060 0.000 1.050 779 K CA 1.406 57.678 56.287 -0.025 0.000 0.942 779 K CB -0.184 32.304 32.500 -0.020 0.000 0.724 779 K HN 0.450 nan 8.250 nan 0.000 0.446 780 M N 0.929 120.491 119.600 -0.063 0.000 2.156 780 M HA -0.092 4.388 4.480 -0.001 0.000 0.264 780 M C 1.626 177.854 176.300 -0.120 0.000 1.067 780 M CA 1.489 56.736 55.300 -0.088 0.000 1.131 780 M CB -0.275 32.275 32.600 -0.083 0.000 1.368 780 M HN 0.188 nan 8.290 nan 0.000 0.416 781 L N -0.084 121.055 121.223 -0.140 0.000 2.341 781 L HA 0.103 4.443 4.340 -0.001 0.000 0.214 781 L C 1.206 177.951 176.870 -0.209 0.000 1.115 781 L CA 0.587 55.279 54.840 -0.246 0.000 0.820 781 L CB -0.590 41.336 42.059 -0.221 0.000 0.944 781 L HN 0.615 nan 8.230 nan 0.000 0.452 782 G N 1.171 109.898 108.800 -0.122 0.000 2.256 782 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.272 782 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.272 782 G C -0.043 174.813 174.900 -0.073 0.000 1.076 782 G CA 0.301 45.349 45.100 -0.087 0.000 0.882 782 G HN 0.310 nan 8.290 nan 0.000 0.497 783 V N -3.460 116.416 119.914 -0.064 0.000 2.876 783 V HA 0.924 5.043 4.120 -0.001 0.000 0.312 783 V C -2.066 174.010 176.094 -0.030 0.000 1.085 783 V CA -2.927 59.347 62.300 -0.044 0.000 0.945 783 V CB 2.070 33.866 31.823 -0.045 0.000 1.017 783 V HN 0.071 nan 8.190 nan 0.000 0.428 784 P HA 0.232 nan 4.420 nan 0.000 0.266 784 P C 0.831 178.120 177.300 -0.018 0.000 1.193 784 P CA 0.545 63.634 63.100 -0.018 0.000 0.770 784 P CB 0.799 32.490 31.700 -0.016 0.000 0.836 785 A N 3.029 125.839 122.820 -0.016 0.000 2.125 785 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 785 A C 1.543 179.115 177.584 -0.020 0.000 1.156 785 A CA 1.647 53.674 52.037 -0.017 0.000 0.671 785 A CB -1.226 17.765 19.000 -0.016 0.000 0.794 785 A HN 0.720 nan 8.150 nan 0.000 0.459 786 N N -0.906 117.783 118.700 -0.018 0.000 2.521 786 N HA -0.071 4.669 4.740 -0.001 0.000 0.188 786 N C 1.125 176.626 175.510 -0.016 0.000 1.146 786 N CA 0.491 53.530 53.050 -0.017 0.000 0.893 786 N CB -0.219 38.259 38.487 -0.014 0.000 0.975 786 N HN 0.326 nan 8.380 nan 0.000 0.451 787 R N -0.153 120.337 120.500 -0.016 0.000 2.265 787 R HA 0.264 4.603 4.340 -0.001 0.000 0.194 787 R C -0.055 176.234 176.300 -0.019 0.000 0.931 787 R CA 0.017 56.108 56.100 -0.014 0.000 1.032 787 R CB 0.435 30.729 30.300 -0.010 0.000 0.980 787 R HN 0.241 nan 8.270 nan 0.000 0.497 788 I N 1.600 122.154 120.570 -0.026 0.000 2.354 788 I HA 0.230 4.399 4.170 -0.001 0.000 0.292 788 I C -0.098 175.989 176.117 -0.049 0.000 0.989 788 I CA -1.164 60.115 61.300 -0.035 0.000 1.188 788 I CB 1.620 39.601 38.000 -0.032 0.000 1.342 788 I HN -0.329 nan 8.210 nan 0.000 0.457 789 V N 8.111 127.982 119.914 -0.071 0.000 2.487 789 V HA 0.600 4.719 4.120 -0.001 0.000 0.298 789 V C -0.751 175.258 176.094 -0.142 0.000 1.028 789 V CA -0.360 61.885 62.300 -0.092 0.000 0.860 789 V CB 2.103 33.872 31.823 -0.089 0.000 0.991 789 V HN 0.416 nan 8.190 nan 0.000 0.427 790 V N 7.872 127.708 119.914 -0.129 0.000 2.417 790 V HA 0.650 4.770 4.120 -0.001 0.000 0.291 790 V C 0.059 176.058 176.094 -0.159 0.000 1.024 790 V CA -0.629 61.579 62.300 -0.153 0.000 0.861 790 V CB 1.743 33.504 31.823 -0.102 0.000 0.985 790 V HN 0.960 nan 8.190 nan 0.000 0.436 791 R N 3.197 123.564 120.500 -0.222 0.000 2.670 791 R HA 0.833 5.172 4.340 -0.001 0.000 0.289 791 R C -1.584 174.692 176.300 -0.040 0.000 0.965 791 R CA -0.740 55.273 56.100 -0.145 0.000 0.899 791 R CB 2.540 32.712 30.300 -0.212 0.000 1.173 791 R HN 0.471 nan 8.270 nan 0.000 0.456 792 V N 3.160 123.073 119.914 -0.001 0.000 2.462 792 V HA 0.152 4.272 4.120 -0.001 0.000 0.288 792 V C 0.568 176.685 176.094 0.037 0.000 1.020 792 V CA -0.582 61.733 62.300 0.025 0.000 0.857 792 V CB 1.490 33.306 31.823 -0.011 0.000 1.013 792 V HN 0.810 nan 8.190 nan 0.000 0.431 793 K N 4.334 124.768 120.400 0.056 0.000 2.067 793 K HA 0.168 4.488 4.320 -0.001 0.000 0.203 793 K C 0.731 177.348 176.600 0.029 0.000 1.048 793 K CA 0.964 57.271 56.287 0.034 0.000 0.954 793 K CB 0.402 32.913 32.500 0.017 0.000 0.737 793 K HN 0.788 nan 8.250 nan 0.000 0.444 794 R N -1.348 119.152 120.500 0.000 0.000 2.741 794 R HA 0.352 4.691 4.340 -0.001 0.000 0.276 794 R C -1.571 174.743 176.300 0.023 0.000 1.028 794 R CA -0.890 55.207 56.100 -0.005 0.000 0.865 794 R CB 0.717 30.984 30.300 -0.054 0.000 1.268 794 R HN -0.101 nan 8.270 nan 0.000 0.475 795 M N 0.420 120.045 119.600 0.041 0.000 2.457 795 M HA 0.414 4.893 4.480 -0.001 0.000 0.300 795 M C 0.021 176.372 176.300 0.086 0.000 1.141 795 M CA -0.796 54.514 55.300 0.017 0.000 0.901 795 M CB 2.657 35.171 32.600 -0.144 0.000 1.687 795 M HN 0.919 nan 8.290 nan 0.000 0.449 796 G N 1.634 110.431 108.800 -0.005 0.000 3.343 796 G HA2 0.510 4.469 3.960 -0.001 0.000 0.264 796 G HA3 0.510 4.469 3.960 -0.001 0.000 0.264 796 G C 0.400 175.209 174.900 -0.151 0.000 0.884 796 G CA 0.280 45.319 45.100 -0.102 0.000 1.916 796 G HN 1.123 nan 8.290 nan 0.000 0.618 797 G N -0.916 107.782 108.800 -0.170 0.000 2.721 797 G HA2 0.335 4.294 3.960 -0.001 0.000 0.686 797 G HA3 0.335 4.294 3.960 -0.001 0.000 0.686 797 G C 0.593 175.249 174.900 -0.405 0.000 1.236 797 G CA -0.315 44.556 45.100 -0.381 0.000 0.786 797 G HN 1.298 nan 8.290 nan 0.000 0.616 798 G N -0.441 107.963 108.800 -0.661 0.000 2.570 798 G HA2 0.526 4.486 3.960 -0.001 0.000 0.213 798 G HA3 0.526 4.486 3.960 -0.001 0.000 0.213 798 G C 0.828 175.658 174.900 -0.117 0.000 1.391 798 G CA 0.846 45.741 45.100 -0.342 0.000 0.533 798 G HN 1.737 nan 8.290 nan 0.000 1.072 799 F N 0.860 120.809 119.950 -0.002 0.000 3.093 799 F HA -0.177 4.349 4.527 -0.001 0.000 0.283 799 F C 1.979 177.756 175.800 -0.037 0.000 0.848 799 F CA 1.265 59.248 58.000 -0.030 0.000 1.059 799 F CB -1.582 37.357 39.000 -0.102 0.000 1.191 799 F HN 1.232 nan 8.300 nan 0.000 0.514 800 G N -1.421 107.423 108.800 0.074 0.000 2.279 800 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.223 800 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.223 800 G C 1.231 176.150 174.900 0.031 0.000 1.015 800 G CA 0.177 45.351 45.100 0.123 0.000 0.621 800 G HN 1.230 nan 8.290 nan 0.000 0.506 801 G N 0.159 108.777 108.800 -0.304 0.000 2.559 801 G HA2 0.166 4.126 3.960 -0.001 0.000 0.216 801 G HA3 0.166 4.126 3.960 -0.001 0.000 0.216 801 G C 1.098 175.906 174.900 -0.153 0.000 1.126 801 G CA 1.296 45.978 45.100 -0.698 0.000 0.778 801 G HN 0.507 nan 8.290 nan 0.000 0.543 802 K N 0.279 120.584 120.400 -0.158 0.000 2.699 802 K HA 0.328 4.647 4.320 -0.001 0.000 0.210 802 K C 1.006 177.572 176.600 -0.056 0.000 1.076 802 K CA -0.293 55.914 56.287 -0.132 0.000 1.109 802 K CB 1.286 33.564 32.500 -0.370 0.000 0.862 802 K HN 0.126 nan 8.250 nan 0.000 0.470 803 V N 0.171 120.087 119.914 0.004 0.000 2.992 803 V HA -0.090 4.029 4.120 -0.001 0.000 0.250 803 V C 1.805 177.909 176.094 0.018 0.000 1.090 803 V CA 1.901 64.216 62.300 0.026 0.000 1.101 803 V CB 0.513 32.394 31.823 0.096 0.000 0.743 803 V HN 0.575 nan 8.190 nan 0.000 0.468 804 T N -4.364 110.218 114.554 0.047 0.000 3.211 804 T HA 0.065 4.415 4.350 -0.001 0.000 0.261 804 T C 1.681 176.421 174.700 0.066 0.000 0.880 804 T CA -0.369 61.755 62.100 0.040 0.000 0.903 804 T CB -0.006 68.918 68.868 0.093 0.000 1.264 804 T HN 0.138 nan 8.240 nan 0.000 0.532 805 R N 2.673 123.216 120.500 0.072 0.000 2.189 805 R HA 0.145 4.485 4.340 -0.001 0.000 0.218 805 R C 2.683 178.946 176.300 -0.062 0.000 1.074 805 R CA 1.349 57.457 56.100 0.013 0.000 0.991 805 R CB -1.188 29.109 30.300 -0.006 0.000 0.883 805 R HN 0.749 nan 8.270 nan 0.000 0.457 806 S N 0.349 116.098 115.700 0.083 0.000 2.419 806 S HA -0.161 4.309 4.470 -0.001 0.000 0.233 806 S C 1.967 176.591 174.600 0.040 0.000 1.016 806 S CA 1.610 59.898 58.200 0.147 0.000 0.974 806 S CB -0.691 62.611 63.200 0.170 0.000 0.786 806 S HN 0.485 nan 8.310 nan 0.000 0.492 807 T N -0.552 114.024 114.554 0.036 0.000 2.915 807 T HA 0.034 4.383 4.350 -0.001 0.000 0.269 807 T C 1.669 176.397 174.700 0.047 0.000 1.071 807 T CA 0.853 62.996 62.100 0.072 0.000 1.132 807 T CB -0.857 68.136 68.868 0.207 0.000 0.878 807 T HN 0.235 nan 8.240 nan 0.000 0.479 808 V N 0.867 120.781 119.914 0.000 0.000 2.594 808 V HA -0.094 4.026 4.120 -0.001 0.000 0.253 808 V C 2.495 178.549 176.094 -0.066 0.000 1.069 808 V CA 1.599 63.869 62.300 -0.052 0.000 1.082 808 V CB -0.382 31.403 31.823 -0.064 0.000 0.680 808 V HN 0.526 nan 8.190 nan 0.000 0.469 809 V N -0.878 119.009 119.914 -0.045 0.000 2.500 809 V HA -0.094 4.025 4.120 -0.001 0.000 0.243 809 V C 2.560 178.661 176.094 0.012 0.000 1.039 809 V CA 1.844 64.138 62.300 -0.009 0.000 1.053 809 V CB -0.246 31.583 31.823 0.010 0.000 0.695 809 V HN 0.554 nan 8.190 nan 0.000 0.463 810 S N 0.998 116.709 115.700 0.018 0.000 2.370 810 S HA -0.237 4.233 4.470 -0.001 0.000 0.226 810 S C 2.205 176.814 174.600 0.014 0.000 1.033 810 S CA 2.153 60.369 58.200 0.026 0.000 1.011 810 S CB -0.538 62.677 63.200 0.025 0.000 0.852 810 S HN 0.865 nan 8.310 nan 0.000 0.457 811 T N 1.150 115.696 114.554 -0.013 0.000 2.746 811 T HA 0.020 4.369 4.350 -0.001 0.000 0.267 811 T C 1.958 176.623 174.700 -0.058 0.000 1.039 811 T CA 1.141 63.210 62.100 -0.052 0.000 1.142 811 T CB -0.634 68.161 68.868 -0.122 0.000 0.866 811 T HN 0.363 nan 8.240 nan 0.000 0.444 812 A N 1.321 124.098 122.820 -0.072 0.000 1.877 812 A HA 0.063 4.382 4.320 -0.001 0.000 0.216 812 A C 2.656 180.310 177.584 0.116 0.000 1.186 812 A CA 1.638 53.711 52.037 0.059 0.000 0.620 812 A CB -1.137 17.934 19.000 0.118 0.000 0.822 812 A HN 0.410 nan 8.150 nan 0.000 0.443 813 V N -0.081 119.881 119.914 0.079 0.000 2.490 813 V HA -0.228 3.891 4.120 -0.001 0.000 0.250 813 V C 2.985 179.128 176.094 0.082 0.000 1.061 813 V CA 1.825 64.174 62.300 0.082 0.000 1.064 813 V CB -1.268 30.601 31.823 0.077 0.000 0.670 813 V HN 0.617 nan 8.190 nan 0.000 0.461 814 A N 0.045 122.907 122.820 0.070 0.000 1.873 814 A HA -0.163 4.156 4.320 -0.001 0.000 0.215 814 A C 2.148 179.799 177.584 0.111 0.000 1.186 814 A CA 1.907 53.987 52.037 0.072 0.000 0.616 814 A CB -0.573 18.451 19.000 0.039 0.000 0.823 814 A HN 0.439 nan 8.150 nan 0.000 0.442 815 L N -0.122 121.171 121.223 0.118 0.000 2.083 815 L HA -0.055 4.285 4.340 -0.001 0.000 0.209 815 L C 2.585 179.567 176.870 0.186 0.000 1.083 815 L CA 2.096 57.046 54.840 0.183 0.000 0.752 815 L CB -0.803 41.378 42.059 0.204 0.000 0.899 815 L HN 0.345 nan 8.230 nan 0.000 0.433 816 A N -0.664 122.230 122.820 0.124 0.000 1.930 816 A HA -0.039 4.280 4.320 -0.001 0.000 0.217 816 A C 2.433 180.051 177.584 0.056 0.000 1.175 816 A CA 1.595 53.672 52.037 0.067 0.000 0.627 816 A CB -0.987 18.043 19.000 0.050 0.000 0.815 816 A HN 0.552 nan 8.150 nan 0.000 0.443 817 A N -1.416 121.454 122.820 0.084 0.000 1.897 817 A HA -0.038 4.281 4.320 -0.001 0.000 0.215 817 A C 2.129 179.760 177.584 0.077 0.000 1.181 817 A CA 1.541 53.619 52.037 0.069 0.000 0.620 817 A CB -0.759 18.289 19.000 0.080 0.000 0.821 817 A HN 0.767 nan 8.150 nan 0.000 0.443 818 Y N 0.444 120.747 120.300 0.004 0.000 2.200 818 Y HA -0.121 4.429 4.550 -0.001 0.000 0.290 818 Y C 2.164 178.061 175.900 -0.005 0.000 1.137 818 Y CA 2.272 60.372 58.100 0.000 0.000 1.163 818 Y CB -0.186 38.278 38.460 0.007 0.000 0.988 818 Y HN 0.174 nan 8.280 nan 0.000 0.518 819 K N -0.113 120.201 120.400 -0.143 0.000 2.103 819 K HA -0.072 4.248 4.320 -0.001 0.000 0.204 819 K C 2.179 178.667 176.600 -0.186 0.000 1.052 819 K CA 1.929 58.080 56.287 -0.228 0.000 0.945 819 K CB -0.631 31.841 32.500 -0.046 0.000 0.722 819 K HN 0.564 nan 8.250 nan 0.000 0.443 820 T N -4.401 110.085 114.554 -0.112 0.000 3.051 820 T HA 0.176 4.525 4.350 -0.001 0.000 0.255 820 T C 1.474 176.120 174.700 -0.091 0.000 1.085 820 T CA 0.605 62.649 62.100 -0.093 0.000 1.109 820 T CB 0.108 68.938 68.868 -0.064 0.000 0.921 820 T HN 0.263 nan 8.240 nan 0.000 0.488 821 G N 1.698 110.442 108.800 -0.094 0.000 2.162 821 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.260 821 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.260 821 G C 0.114 174.980 174.900 -0.056 0.000 0.976 821 G CA 0.191 45.244 45.100 -0.079 0.000 0.655 821 G HN 0.724 nan 8.290 nan 0.000 0.533 822 R N 0.668 121.142 120.500 -0.043 0.000 2.711 822 R HA 0.536 4.876 4.340 -0.001 0.000 0.284 822 R C -2.501 173.792 176.300 -0.012 0.000 0.968 822 R CA -2.085 53.993 56.100 -0.036 0.000 0.924 822 R CB 1.999 32.283 30.300 -0.027 0.000 1.162 822 R HN 0.071 nan 8.270 nan 0.000 0.465 823 P HA 0.048 nan 4.420 nan 0.000 0.269 823 P C -0.714 176.630 177.300 0.073 0.000 1.209 823 P CA -0.006 63.120 63.100 0.043 0.000 0.776 823 P CB 0.892 32.631 31.700 0.065 0.000 0.876 824 V N 3.413 123.381 119.914 0.089 0.000 3.007 824 V HA 0.642 4.762 4.120 -0.001 0.000 0.311 824 V C 0.279 176.431 176.094 0.097 0.000 1.120 824 V CA -0.760 61.588 62.300 0.080 0.000 0.980 824 V CB 2.357 34.217 31.823 0.061 0.000 1.033 824 V HN 0.735 nan 8.190 nan 0.000 0.429 825 R N 1.263 121.814 120.500 0.085 0.000 2.799 825 R HA 0.932 5.271 4.340 -0.001 0.000 0.270 825 R C -1.575 174.771 176.300 0.077 0.000 1.010 825 R CA -0.657 55.495 56.100 0.087 0.000 0.916 825 R CB 1.831 32.181 30.300 0.083 0.000 1.228 825 R HN 0.765 nan 8.270 nan 0.000 0.469 826 C N 2.403 121.750 119.300 0.078 0.000 2.947 826 C HA 0.558 5.017 4.460 -0.001 0.000 0.401 826 C C -1.272 173.763 174.990 0.074 0.000 1.019 826 C CA -0.554 58.510 59.018 0.076 0.000 1.230 826 C CB 1.304 29.092 27.740 0.080 0.000 1.644 826 C HN 0.992 nan 8.230 nan 0.000 0.523 827 M N 7.201 126.845 119.600 0.072 0.000 2.134 827 M HA 0.559 5.039 4.480 -0.001 0.000 0.310 827 M C -1.109 175.237 176.300 0.077 0.000 0.966 827 M CA -0.507 54.834 55.300 0.068 0.000 0.922 827 M CB 0.972 33.610 32.600 0.064 0.000 1.537 827 M HN 0.700 nan 8.290 nan 0.000 0.424 828 L N 4.058 125.333 121.223 0.087 0.000 2.456 828 L HA 0.156 4.495 4.340 -0.001 0.000 0.272 828 L C 0.079 177.007 176.870 0.096 0.000 1.189 828 L CA -0.182 54.717 54.840 0.097 0.000 0.846 828 L CB 0.162 42.290 42.059 0.114 0.000 1.111 828 L HN 0.646 nan 8.230 nan 0.000 0.475 829 D N 1.351 121.813 120.400 0.103 0.000 2.313 829 D HA 0.083 4.723 4.640 -0.001 0.000 0.247 829 D C 0.911 177.284 176.300 0.121 0.000 1.094 829 D CA -0.422 53.648 54.000 0.117 0.000 0.925 829 D CB 1.075 41.951 40.800 0.127 0.000 1.188 829 D HN 0.330 nan 8.370 nan 0.000 0.430 830 R N 1.140 121.710 120.500 0.117 0.000 2.112 830 R HA -0.237 4.102 4.340 -0.001 0.000 0.242 830 R C 1.452 177.815 176.300 0.105 0.000 1.137 830 R CA 2.090 58.226 56.100 0.061 0.000 0.944 830 R CB -0.505 29.837 30.300 0.070 0.000 0.857 830 R HN 0.557 nan 8.270 nan 0.000 0.435 831 D N -0.196 120.316 120.400 0.188 0.000 2.230 831 D HA -0.246 4.393 4.640 -0.001 0.000 0.189 831 D C 1.449 177.839 176.300 0.150 0.000 1.006 831 D CA 2.419 56.550 54.000 0.218 0.000 0.853 831 D CB -0.188 40.820 40.800 0.346 0.000 0.959 831 D HN 0.552 nan 8.370 nan 0.000 0.449 832 E N -0.325 119.958 120.200 0.137 0.000 2.107 832 E HA -0.129 4.220 4.350 -0.001 0.000 0.191 832 E C 1.907 178.566 176.600 0.098 0.000 0.982 832 E CA 0.883 57.351 56.400 0.114 0.000 0.809 832 E CB -0.174 29.591 29.700 0.110 0.000 0.756 832 E HN 0.451 nan 8.360 nan 0.000 0.459 833 D N 1.001 121.466 120.400 0.107 0.000 2.097 833 D HA -0.157 4.483 4.640 -0.001 0.000 0.195 833 D C 1.923 178.287 176.300 0.107 0.000 0.989 833 D CA 1.076 55.155 54.000 0.131 0.000 0.827 833 D CB 0.063 40.973 40.800 0.183 0.000 0.966 833 D HN 0.168 nan 8.370 nan 0.000 0.456 834 M N -0.113 119.522 119.600 0.058 0.000 2.394 834 M HA -0.109 4.370 4.480 -0.001 0.000 0.264 834 M C 2.104 178.420 176.300 0.027 0.000 1.073 834 M CA 0.419 55.727 55.300 0.012 0.000 1.111 834 M CB 0.139 32.718 32.600 -0.036 0.000 1.401 834 M HN 0.080 nan 8.290 nan 0.000 0.448 835 L N 0.363 121.617 121.223 0.052 0.000 2.071 835 L HA 0.008 4.347 4.340 -0.001 0.000 0.201 835 L C 1.960 178.873 176.870 0.072 0.000 1.076 835 L CA 1.675 56.551 54.840 0.060 0.000 0.755 835 L CB -0.278 41.825 42.059 0.072 0.000 0.915 835 L HN 0.138 nan 8.230 nan 0.000 0.445 836 I N -0.362 120.249 120.570 0.067 0.000 2.233 836 I HA -0.212 3.958 4.170 -0.001 0.000 0.243 836 I C 2.291 178.424 176.117 0.026 0.000 1.093 836 I CA 1.584 62.914 61.300 0.049 0.000 1.380 836 I CB -0.798 37.225 38.000 0.038 0.000 1.067 836 I HN 0.453 nan 8.210 nan 0.000 0.413 837 T N -1.024 113.543 114.554 0.022 0.000 3.007 837 T HA 0.224 4.573 4.350 -0.001 0.000 0.270 837 T C 1.184 175.951 174.700 0.113 0.000 1.107 837 T CA 0.426 62.538 62.100 0.019 0.000 1.118 837 T CB -0.664 68.222 68.868 0.029 0.000 0.889 837 T HN 0.612 nan 8.240 nan 0.000 0.506 838 G N -0.283 108.590 108.800 0.122 0.000 2.796 838 G HA2 0.327 4.287 3.960 -0.001 0.000 0.226 838 G HA3 0.327 4.287 3.960 -0.001 0.000 0.226 838 G C 0.009 175.049 174.900 0.234 0.000 1.381 838 G CA -0.565 44.616 45.100 0.134 0.000 0.867 838 G HN 1.322 nan 8.290 nan 0.000 0.552 839 G N -1.370 107.536 108.800 0.176 0.000 2.793 839 G HA2 0.706 4.666 3.960 -0.001 0.000 0.248 839 G HA3 0.706 4.666 3.960 -0.001 0.000 0.248 839 G C -0.099 174.902 174.900 0.167 0.000 1.198 839 G CA 0.256 45.454 45.100 0.163 0.000 0.865 839 G HN 0.910 nan 8.290 nan 0.000 0.534 840 R N 0.043 120.652 120.500 0.182 0.000 2.643 840 R HA 0.232 4.571 4.340 -0.001 0.000 0.270 840 R C -0.610 175.747 176.300 0.095 0.000 1.061 840 R CA -0.267 55.925 56.100 0.153 0.000 1.107 840 R CB 0.003 30.164 30.300 -0.231 0.000 0.999 840 R HN 0.577 nan 8.270 nan 0.000 0.460 841 H N 4.186 123.317 119.070 0.101 0.000 2.848 841 H HA 0.168 4.724 4.556 -0.001 0.000 0.317 841 H C -2.016 173.436 175.328 0.208 0.000 1.046 841 H CA -1.191 54.948 56.048 0.152 0.000 1.470 841 H CB 0.747 30.637 29.762 0.215 0.000 1.483 841 H HN 0.430 nan 8.280 nan 0.000 0.548 842 P HA 0.107 nan 4.420 nan 0.000 0.275 842 P C -0.881 176.549 177.300 0.218 0.000 1.228 842 P CA 0.007 63.171 63.100 0.106 0.000 0.786 842 P CB 0.635 32.391 31.700 0.093 0.000 0.927 843 F N 1.921 121.759 119.950 -0.187 0.000 2.551 843 F HA 0.553 5.079 4.527 -0.001 0.000 0.316 843 F C -0.507 175.280 175.800 -0.021 0.000 1.089 843 F CA -0.780 57.206 58.000 -0.023 0.000 0.915 843 F CB 1.686 40.702 39.000 0.026 0.000 1.186 843 F HN 0.049 nan 8.300 nan 0.000 0.456 844 L N 3.276 124.698 121.223 0.331 0.000 2.381 844 L HA 0.923 5.262 4.340 -0.001 0.000 0.274 844 L C -1.277 175.830 176.870 0.395 0.000 0.988 844 L CA -0.432 54.631 54.840 0.373 0.000 0.824 844 L CB 1.294 43.545 42.059 0.320 0.000 1.263 844 L HN 0.634 nan 8.230 nan 0.000 0.410 845 A N 5.001 128.023 122.820 0.337 0.000 2.449 845 A HA 0.913 5.232 4.320 -0.001 0.000 0.302 845 A C -0.982 176.742 177.584 0.234 0.000 1.048 845 A CA -0.750 51.462 52.037 0.292 0.000 0.708 845 A CB 1.376 20.527 19.000 0.252 0.000 1.274 845 A HN 0.707 nan 8.150 nan 0.000 0.410 846 R N 0.942 121.550 120.500 0.180 0.000 2.439 846 R HA 0.581 4.921 4.340 -0.001 0.000 0.310 846 R C -1.421 174.931 176.300 0.088 0.000 0.955 846 R CA -0.387 55.751 56.100 0.064 0.000 0.853 846 R CB 1.521 31.859 30.300 0.065 0.000 1.171 846 R HN 0.792 nan 8.270 nan 0.000 0.449 847 Y N -0.702 119.641 120.300 0.073 0.000 2.598 847 Y HA 0.672 5.221 4.550 -0.001 0.000 0.340 847 Y C -0.719 175.190 175.900 0.015 0.000 1.038 847 Y CA -1.396 56.731 58.100 0.045 0.000 1.100 847 Y CB 1.804 40.330 38.460 0.111 0.000 1.281 847 Y HN 0.286 nan 8.280 nan 0.000 0.488 848 K N 2.447 122.954 120.400 0.179 0.000 2.716 848 K HA 0.540 4.859 4.320 -0.001 0.000 0.249 848 K C -2.461 174.250 176.600 0.186 0.000 1.004 848 K CA -0.598 55.747 56.287 0.096 0.000 0.968 848 K CB 2.057 34.520 32.500 -0.062 0.000 1.214 848 K HN 0.799 nan 8.250 nan 0.000 0.476 849 V N 2.937 122.960 119.914 0.181 0.000 2.513 849 V HA 0.819 4.938 4.120 -0.001 0.000 0.299 849 V C -0.376 175.946 176.094 0.381 0.000 1.035 849 V CA -0.209 62.144 62.300 0.088 0.000 0.889 849 V CB 1.565 33.212 31.823 -0.292 0.000 0.988 849 V HN 0.796 nan 8.190 nan 0.000 0.440 850 G N 6.105 115.103 108.800 0.329 0.000 2.417 850 G HA2 0.722 4.681 3.960 -0.001 0.000 0.320 850 G HA3 0.722 4.681 3.960 -0.001 0.000 0.320 850 G C -1.223 173.783 174.900 0.176 0.000 1.204 850 G CA -0.474 44.775 45.100 0.249 0.000 0.923 850 G HN 0.935 nan 8.290 nan 0.000 0.466 851 F N 0.587 120.538 119.950 0.002 0.000 2.664 851 F HA 0.787 5.314 4.527 -0.001 0.000 0.317 851 F C -0.538 175.259 175.800 -0.005 0.000 1.108 851 F CA -2.179 55.808 58.000 -0.021 0.000 0.957 851 F CB 1.210 40.203 39.000 -0.012 0.000 1.365 851 F HN 0.216 nan 8.300 nan 0.000 0.475 852 M N 0.974 120.631 119.600 0.094 0.000 2.471 852 M HA 0.372 4.851 4.480 -0.001 0.000 0.309 852 M C 0.853 177.214 176.300 0.102 0.000 1.186 852 M CA -0.736 54.576 55.300 0.019 0.000 1.008 852 M CB 1.381 33.996 32.600 0.026 0.000 1.551 852 M HN 0.832 nan 8.290 nan 0.000 0.477 853 K N 0.634 121.061 120.400 0.044 0.000 2.442 853 K HA -0.098 4.222 4.320 -0.001 0.000 0.199 853 K C 1.546 178.205 176.600 0.099 0.000 1.044 853 K CA 1.328 57.663 56.287 0.081 0.000 0.941 853 K CB -0.276 32.247 32.500 0.038 0.000 0.759 853 K HN 0.890 nan 8.250 nan 0.000 0.472 854 T N -4.874 109.731 114.554 0.086 0.000 3.100 854 T HA 0.202 4.551 4.350 -0.001 0.000 0.253 854 T C 1.432 176.177 174.700 0.075 0.000 1.118 854 T CA 0.472 62.613 62.100 0.068 0.000 1.058 854 T CB 0.455 69.349 68.868 0.042 0.000 0.953 854 T HN 0.246 nan 8.240 nan 0.000 0.515 855 G N 0.896 109.772 108.800 0.127 0.000 2.213 855 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.226 855 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.226 855 G C 0.235 175.170 174.900 0.059 0.000 0.992 855 G CA -0.056 45.094 45.100 0.084 0.000 0.632 855 G HN 0.692 nan 8.290 nan 0.000 0.511 856 T N 2.330 116.924 114.554 0.067 0.000 2.817 856 T HA 0.459 4.808 4.350 -0.001 0.000 0.295 856 T C 0.838 175.582 174.700 0.073 0.000 0.958 856 T CA 0.402 62.522 62.100 0.033 0.000 1.157 856 T CB 1.640 70.516 68.868 0.014 0.000 0.898 856 T HN 1.431 nan 8.240 nan 0.000 0.536 857 V N 2.890 122.824 119.914 0.033 0.000 2.649 857 V HA 0.553 4.673 4.120 -0.001 0.000 0.292 857 V C 0.852 176.923 176.094 -0.040 0.000 1.055 857 V CA -0.366 61.954 62.300 0.033 0.000 1.023 857 V CB 1.145 32.948 31.823 -0.034 0.000 0.992 857 V HN 0.750 nan 8.190 nan 0.000 0.480 858 V N 0.370 120.239 119.914 -0.075 0.000 3.497 858 V HA 0.835 4.954 4.120 -0.001 0.000 0.272 858 V C 0.610 176.557 176.094 -0.246 0.000 1.474 858 V CA 0.501 62.722 62.300 -0.132 0.000 1.025 858 V CB -0.156 31.602 31.823 -0.107 0.000 0.820 858 V HN 1.747 nan 8.190 nan 0.000 0.437 859 A N 1.014 123.628 122.820 -0.343 0.000 2.488 859 A HA 0.845 5.164 4.320 -0.001 0.000 0.295 859 A C -1.751 175.530 177.584 -0.505 0.000 1.045 859 A CA -0.390 51.272 52.037 -0.625 0.000 0.703 859 A CB 2.187 20.380 19.000 -1.346 0.000 1.271 859 A HN 0.743 nan 8.150 nan 0.000 0.400 860 L N 0.905 121.904 121.223 -0.373 0.000 2.431 860 L HA 0.785 5.125 4.340 -0.001 0.000 0.266 860 L C -0.730 176.114 176.870 -0.044 0.000 0.978 860 L CA 0.032 54.721 54.840 -0.252 0.000 0.822 860 L CB 1.994 43.816 42.059 -0.396 0.000 1.310 860 L HN 0.744 nan 8.230 nan 0.000 0.409 861 E N 3.743 123.986 120.200 0.072 0.000 2.283 861 E HA 0.583 4.933 4.350 -0.001 0.000 0.258 861 E C -1.781 174.878 176.600 0.099 0.000 0.893 861 E CA -0.457 56.021 56.400 0.130 0.000 0.798 861 E CB 2.148 31.985 29.700 0.229 0.000 1.242 861 E HN 0.462 nan 8.360 nan 0.000 0.414 862 V N 3.182 123.150 119.914 0.090 0.000 2.656 862 V HA 0.381 4.500 4.120 -0.001 0.000 0.307 862 V C -0.664 175.419 176.094 -0.017 0.000 1.051 862 V CA -0.924 61.402 62.300 0.044 0.000 0.893 862 V CB 2.103 33.938 31.823 0.021 0.000 0.999 862 V HN 0.584 nan 8.190 nan 0.000 0.426 863 D N 2.410 122.779 120.400 -0.051 0.000 2.425 863 D HA 0.452 5.092 4.640 -0.001 0.000 0.240 863 D C -0.764 175.498 176.300 -0.062 0.000 1.080 863 D CA -0.350 53.641 54.000 -0.016 0.000 0.836 863 D CB 1.537 42.402 40.800 0.109 0.000 1.125 863 D HN 0.623 nan 8.370 nan 0.000 0.525 864 H N 0.961 119.995 119.070 -0.060 0.000 2.479 864 H HA 0.554 5.110 4.556 -0.001 0.000 0.335 864 H C -0.616 174.457 175.328 -0.424 0.000 1.142 864 H CA -0.320 55.726 56.048 -0.002 0.000 1.234 864 H CB 0.986 30.830 29.762 0.137 0.000 1.503 864 H HN 0.215 nan 8.280 nan 0.000 0.510 865 F N 0.565 120.505 119.950 -0.017 0.000 2.561 865 F HA 0.446 4.973 4.527 -0.001 0.000 0.313 865 F C -0.359 175.224 175.800 -0.363 0.000 1.126 865 F CA -0.789 57.140 58.000 -0.119 0.000 0.918 865 F CB 2.089 41.098 39.000 0.014 0.000 1.199 865 F HN 0.571 nan 8.300 nan 0.000 0.444 866 S N 1.920 117.476 115.700 -0.241 0.000 2.526 866 S HA 0.477 4.946 4.470 -0.001 0.000 0.293 866 S C -1.218 173.393 174.600 0.018 0.000 1.092 866 S CA -0.919 57.071 58.200 -0.350 0.000 0.980 866 S CB 1.866 64.681 63.200 -0.641 0.000 1.048 866 S HN 0.558 nan 8.310 nan 0.000 0.483 867 N N 2.399 121.140 118.700 0.068 0.000 2.439 867 N HA 0.130 4.870 4.740 -0.001 0.000 0.243 867 N C 0.726 176.277 175.510 0.067 0.000 1.088 867 N CA -0.199 52.899 53.050 0.079 0.000 0.940 867 N CB 1.443 39.953 38.487 0.040 0.000 1.180 867 N HN 0.743 nan 8.380 nan 0.000 0.505 868 V N 2.136 122.139 119.914 0.149 0.000 3.608 868 V HA 0.381 4.501 4.120 -0.001 0.000 0.269 868 V C 0.919 177.040 176.094 0.044 0.000 1.245 868 V CA 1.130 63.507 62.300 0.129 0.000 1.138 868 V CB -0.942 31.048 31.823 0.278 0.000 0.841 868 V HN 0.761 nan 8.190 nan 0.000 0.451 869 G N 1.939 110.781 108.800 0.070 0.000 2.627 869 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.214 869 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.214 869 G C 0.148 175.120 174.900 0.120 0.000 1.331 869 G CA 0.147 45.267 45.100 0.034 0.000 0.891 869 G HN 1.021 nan 8.290 nan 0.000 0.539 870 N N -0.037 118.685 118.700 0.037 0.000 2.521 870 N HA 0.147 4.887 4.740 -0.001 0.000 0.188 870 N C 0.876 176.449 175.510 0.107 0.000 1.146 870 N CA 1.765 54.839 53.050 0.040 0.000 0.893 870 N CB -0.074 38.358 38.487 -0.091 0.000 0.975 870 N HN 1.604 nan 8.380 nan 0.000 0.451 871 T N -4.884 109.709 114.554 0.065 0.000 2.916 871 T HA 0.223 4.572 4.350 -0.001 0.000 0.305 871 T C 0.434 174.942 174.700 -0.321 0.000 1.119 871 T CA -0.817 61.260 62.100 -0.037 0.000 1.008 871 T CB 2.374 71.208 68.868 -0.057 0.000 1.129 871 T HN -0.022 nan 8.240 nan 0.000 0.480 872 Q N 0.816 120.252 119.800 -0.606 0.000 2.119 872 Q HA -0.030 4.309 4.340 -0.001 0.000 0.201 872 Q C 0.894 176.715 176.000 -0.297 0.000 0.972 872 Q CA 1.897 57.208 55.803 -0.819 0.000 0.847 872 Q CB -0.275 28.057 28.738 -0.677 0.000 0.903 872 Q HN 0.995 nan 8.270 nan 0.000 0.433 873 D N -1.142 119.177 120.400 -0.135 0.000 3.417 873 D HA -0.305 4.334 4.640 -0.001 0.000 0.163 873 D C 0.113 176.426 176.300 0.021 0.000 1.070 873 D CA 2.316 56.315 54.000 -0.003 0.000 1.047 873 D CB -1.032 39.793 40.800 0.042 0.000 0.514 873 D HN 0.252 nan 8.370 nan 0.000 0.532 874 L N 0.376 121.646 121.223 0.078 0.000 2.685 874 L HA 0.259 4.598 4.340 -0.001 0.000 0.233 874 L C 2.002 178.851 176.870 -0.036 0.000 1.173 874 L CA 0.111 55.011 54.840 0.099 0.000 0.961 874 L CB -0.017 42.195 42.059 0.255 0.000 1.217 874 L HN 0.159 nan 8.230 nan 0.000 0.478 875 S N 0.337 115.987 115.700 -0.082 0.000 2.380 875 S HA -0.320 4.149 4.470 -0.001 0.000 0.229 875 S C 1.877 176.359 174.600 -0.195 0.000 1.043 875 S CA 1.834 59.914 58.200 -0.199 0.000 1.038 875 S CB -0.107 63.040 63.200 -0.088 0.000 0.872 875 S HN 0.514 nan 8.310 nan 0.000 0.456 876 Q N 1.236 120.969 119.800 -0.111 0.000 2.002 876 Q HA -0.116 4.223 4.340 -0.001 0.000 0.204 876 Q C 2.208 178.166 176.000 -0.069 0.000 0.988 876 Q CA 2.117 57.861 55.803 -0.099 0.000 0.843 876 Q CB -0.386 28.313 28.738 -0.065 0.000 0.908 876 Q HN 0.446 nan 8.270 nan 0.000 0.420 877 S N 0.054 115.779 115.700 0.040 0.000 2.383 877 S HA -0.127 4.342 4.470 -0.001 0.000 0.229 877 S C 1.839 176.555 174.600 0.193 0.000 1.030 877 S CA 1.313 59.647 58.200 0.223 0.000 1.002 877 S CB -0.312 63.164 63.200 0.459 0.000 0.829 877 S HN 0.379 nan 8.310 nan 0.000 0.467 878 I N 0.631 121.057 120.570 -0.239 0.000 2.315 878 I HA -0.179 3.990 4.170 -0.001 0.000 0.248 878 I C 2.434 178.427 176.117 -0.207 0.000 1.117 878 I CA 1.054 62.006 61.300 -0.581 0.000 1.404 878 I CB -0.226 37.240 38.000 -0.889 0.000 1.071 878 I HN 0.302 nan 8.210 nan 0.000 0.419 879 M N 0.940 120.442 119.600 -0.163 0.000 2.175 879 M HA -0.159 4.320 4.480 -0.001 0.000 0.264 879 M C 1.983 178.226 176.300 -0.095 0.000 1.063 879 M CA 1.815 57.062 55.300 -0.087 0.000 1.119 879 M CB -0.432 32.070 32.600 -0.163 0.000 1.377 879 M HN 0.085 nan 8.290 nan 0.000 0.415 880 E N -0.686 119.460 120.200 -0.090 0.000 2.077 880 E HA -0.242 4.107 4.350 -0.001 0.000 0.193 880 E C 2.165 178.732 176.600 -0.055 0.000 0.989 880 E CA 1.334 57.667 56.400 -0.110 0.000 0.800 880 E CB -0.309 29.400 29.700 0.016 0.000 0.746 880 E HN 0.525 nan 8.360 nan 0.000 0.452 881 R N 0.730 121.356 120.500 0.210 0.000 2.115 881 R HA -0.085 4.255 4.340 -0.001 0.000 0.230 881 R C 2.188 178.630 176.300 0.237 0.000 1.111 881 R CA 1.110 57.445 56.100 0.392 0.000 0.976 881 R CB -0.118 30.397 30.300 0.358 0.000 0.870 881 R HN 0.132 nan 8.270 nan 0.000 0.445 882 A N 1.161 124.006 122.820 0.043 0.000 1.877 882 A HA -0.133 4.186 4.320 -0.001 0.000 0.216 882 A C 2.145 179.713 177.584 -0.026 0.000 1.186 882 A CA 1.238 53.243 52.037 -0.053 0.000 0.620 882 A CB -0.565 18.381 19.000 -0.089 0.000 0.822 882 A HN 0.357 nan 8.150 nan 0.000 0.443 883 L N -1.943 119.222 121.223 -0.097 0.000 2.141 883 L HA -0.121 4.219 4.340 -0.001 0.000 0.209 883 L C 2.087 179.064 176.870 0.180 0.000 1.094 883 L CA 0.776 55.588 54.840 -0.046 0.000 0.763 883 L CB -0.424 41.567 42.059 -0.114 0.000 0.908 883 L HN 0.334 nan 8.230 nan 0.000 0.437 884 F N -0.829 119.190 119.950 0.115 0.000 2.641 884 F HA -0.115 4.412 4.527 -0.001 0.000 0.298 884 F C 1.465 177.274 175.800 0.016 0.000 1.146 884 F CA 0.925 58.848 58.000 -0.127 0.000 1.464 884 F CB -0.502 38.300 39.000 -0.330 0.000 1.101 884 F HN 0.179 nan 8.300 nan 0.000 0.585 885 H N -1.870 117.374 119.070 0.291 0.000 2.767 885 H HA 0.180 4.736 4.556 -0.001 0.000 0.260 885 H C 1.751 177.132 175.328 0.089 0.000 1.172 885 H CA 0.009 56.155 56.048 0.164 0.000 1.048 885 H CB -0.294 29.434 29.762 -0.056 0.000 1.697 885 H HN 0.191 nan 8.280 nan 0.000 0.606 886 M N -0.215 119.505 119.600 0.200 0.000 2.686 886 M HA 0.001 4.481 4.480 -0.001 0.000 0.246 886 M C 0.481 176.858 176.300 0.128 0.000 1.096 886 M CA 1.259 56.658 55.300 0.164 0.000 1.076 886 M CB 0.176 32.907 32.600 0.218 0.000 1.504 886 M HN 0.064 nan 8.290 nan 0.000 0.524 887 D N -0.772 119.662 120.400 0.057 0.000 2.355 887 D HA 0.023 4.662 4.640 -0.001 0.000 0.206 887 D C 0.839 177.199 176.300 0.100 0.000 1.010 887 D CA 0.391 54.451 54.000 0.100 0.000 0.875 887 D CB -0.379 40.479 40.800 0.097 0.000 0.966 887 D HN 0.511 nan 8.370 nan 0.000 0.512 888 N N -0.100 118.635 118.700 0.058 0.000 1.629 888 N HA -0.298 4.441 4.740 -0.001 0.000 0.153 888 N C -0.266 175.201 175.510 -0.071 0.000 0.652 888 N CA 2.833 55.844 53.050 -0.065 0.000 1.156 888 N CB -1.326 37.042 38.487 -0.198 0.000 1.324 888 N HN 0.341 nan 8.380 nan 0.000 0.449 889 C N -0.644 118.366 119.300 -0.484 0.000 2.863 889 C HA 0.460 4.919 4.460 -0.001 0.000 0.284 889 C C -0.943 173.719 174.990 -0.546 0.000 1.426 889 C CA -0.609 58.246 59.018 -0.272 0.000 1.782 889 C CB -1.853 25.744 27.740 -0.238 0.000 2.554 889 C HN 0.367 nan 8.230 nan 0.000 0.566 890 Y N 0.662 120.820 120.300 -0.237 0.000 2.409 890 Y HA 0.435 4.985 4.550 -0.001 0.000 0.339 890 Y C 0.295 175.604 175.900 -0.985 0.000 1.033 890 Y CA -1.291 56.511 58.100 -0.498 0.000 1.094 890 Y CB 0.675 39.022 38.460 -0.189 0.000 1.210 890 Y HN -0.037 nan 8.280 nan 0.000 0.456 891 K N 3.735 123.657 120.400 -0.796 0.000 2.276 891 K HA 0.541 4.860 4.320 -0.001 0.000 0.285 891 K C -1.324 175.132 176.600 -0.241 0.000 1.062 891 K CA -0.094 55.789 56.287 -0.673 0.000 0.918 891 K CB 0.166 32.423 32.500 -0.405 0.000 1.055 891 K HN 0.727 nan 8.250 nan 0.000 0.477 892 I N 7.653 128.138 120.570 -0.142 0.000 2.466 892 I HA 0.197 4.366 4.170 -0.001 0.000 0.279 892 I C -1.826 174.253 176.117 -0.063 0.000 1.033 892 I CA -2.308 58.940 61.300 -0.087 0.000 1.123 892 I CB 1.763 39.721 38.000 -0.071 0.000 1.237 892 I HN 0.527 nan 8.210 nan 0.000 0.460 893 P HA -0.136 nan 4.420 nan 0.000 0.216 893 P C -0.286 176.977 177.300 -0.063 0.000 1.157 893 P CA 1.500 64.565 63.100 -0.059 0.000 0.880 893 P CB 0.139 31.796 31.700 -0.072 0.000 0.791 894 N N -0.044 118.590 118.700 -0.111 0.000 2.442 894 N HA 0.439 5.179 4.740 -0.001 0.000 0.274 894 N C -0.707 174.715 175.510 -0.147 0.000 1.002 894 N CA -0.322 52.650 53.050 -0.130 0.000 0.910 894 N CB 2.161 40.527 38.487 -0.201 0.000 1.244 894 N HN 0.062 nan 8.380 nan 0.000 0.492 895 I N 0.455 120.988 120.570 -0.063 0.000 2.841 895 I HA 0.447 4.617 4.170 -0.001 0.000 0.298 895 I C -1.607 174.535 176.117 0.041 0.000 1.304 895 I CA -0.718 60.562 61.300 -0.034 0.000 1.019 895 I CB 2.732 40.721 38.000 -0.019 0.000 1.282 895 I HN 0.349 nan 8.210 nan 0.000 0.432 896 R N 4.643 125.179 120.500 0.061 0.000 2.510 896 R HA 0.639 4.978 4.340 -0.001 0.000 0.287 896 R C -1.489 174.887 176.300 0.127 0.000 1.084 896 R CA -0.578 55.583 56.100 0.102 0.000 0.934 896 R CB 2.041 32.396 30.300 0.093 0.000 1.201 896 R HN 0.859 nan 8.270 nan 0.000 0.431 897 G N 1.551 110.450 108.800 0.165 0.000 2.542 897 G HA2 0.537 4.496 3.960 -0.001 0.000 0.311 897 G HA3 0.537 4.496 3.960 -0.001 0.000 0.311 897 G C -0.779 174.228 174.900 0.178 0.000 1.298 897 G CA -0.431 44.800 45.100 0.218 0.000 0.973 897 G HN 0.539 nan 8.290 nan 0.000 0.487 898 T N -1.365 113.295 114.554 0.178 0.000 2.916 898 T HA 0.847 5.197 4.350 -0.001 0.000 0.292 898 T C -0.042 174.676 174.700 0.029 0.000 1.055 898 T CA -0.553 61.576 62.100 0.049 0.000 1.009 898 T CB 2.297 71.138 68.868 -0.045 0.000 1.118 898 T HN 1.254 nan 8.240 nan 0.000 0.497 899 G N 0.935 109.649 108.800 -0.143 0.000 2.620 899 G HA2 0.665 4.624 3.960 -0.001 0.000 0.301 899 G HA3 0.665 4.624 3.960 -0.001 0.000 0.301 899 G C -1.416 173.252 174.900 -0.387 0.000 1.347 899 G CA -0.889 44.069 45.100 -0.237 0.000 0.971 899 G HN 0.628 nan 8.290 nan 0.000 0.488 900 R N 1.193 121.399 120.500 -0.490 0.000 2.532 900 R HA 0.332 4.672 4.340 -0.001 0.000 0.297 900 R C -0.810 175.373 176.300 -0.195 0.000 0.984 900 R CA -0.803 55.005 56.100 -0.487 0.000 0.884 900 R CB 1.835 31.633 30.300 -0.837 0.000 1.182 900 R HN 0.485 nan 8.270 nan 0.000 0.442 901 L N 3.435 124.635 121.223 -0.037 0.000 2.270 901 L HA 0.380 4.719 4.340 -0.001 0.000 0.286 901 L C -0.009 177.092 176.870 0.384 0.000 1.059 901 L CA -0.724 54.213 54.840 0.161 0.000 0.839 901 L CB 0.777 42.951 42.059 0.192 0.000 1.221 901 L HN 0.403 nan 8.230 nan 0.000 0.431 902 C N 3.083 122.600 119.300 0.361 0.000 2.627 902 C HA 0.078 4.537 4.460 -0.001 0.000 0.404 902 C C 1.045 176.124 174.990 0.149 0.000 1.340 902 C CA -0.581 58.628 59.018 0.319 0.000 1.758 902 C CB -0.277 27.613 27.740 0.250 0.000 2.501 902 C HN 0.642 nan 8.230 nan 0.000 0.588 903 K N 3.402 123.726 120.400 -0.128 0.000 2.284 903 K HA 0.343 4.662 4.320 -0.001 0.000 0.287 903 K C 0.293 176.777 176.600 -0.192 0.000 1.081 903 K CA 0.231 56.298 56.287 -0.367 0.000 0.910 903 K CB 0.416 32.428 32.500 -0.813 0.000 1.088 903 K HN 0.915 nan 8.250 nan 0.000 0.478 904 T N 0.464 114.971 114.554 -0.077 0.000 2.906 904 T HA 0.283 4.633 4.350 -0.001 0.000 0.295 904 T C -0.147 174.493 174.700 -0.100 0.000 1.075 904 T CA -1.061 60.980 62.100 -0.097 0.000 1.005 904 T CB 1.041 69.864 68.868 -0.075 0.000 1.136 904 T HN 0.485 nan 8.240 nan 0.000 0.498 905 N N 1.024 119.651 118.700 -0.121 0.000 3.178 905 N HA 0.465 5.204 4.740 -0.001 0.000 0.300 905 N C -0.870 174.590 175.510 -0.082 0.000 1.242 905 N CA -0.148 52.833 53.050 -0.115 0.000 1.192 905 N CB -0.303 38.118 38.487 -0.110 0.000 1.463 905 N HN 0.391 nan 8.380 nan 0.000 0.539 906 L N 0.377 121.553 121.223 -0.079 0.000 2.376 906 L HA 0.606 4.945 4.340 -0.001 0.000 0.258 906 L C -2.297 174.548 176.870 -0.043 0.000 1.013 906 L CA -2.538 52.255 54.840 -0.077 0.000 0.822 906 L CB 2.623 44.587 42.059 -0.158 0.000 1.388 906 L HN 0.065 nan 8.230 nan 0.000 0.413 907 P HA -0.038 nan 4.420 nan 0.000 0.266 907 P C -0.437 176.854 177.300 -0.016 0.000 1.195 907 P CA 0.056 63.158 63.100 0.003 0.000 0.768 907 P CB 0.799 32.531 31.700 0.053 0.000 0.838 908 S N 3.120 118.805 115.700 -0.025 0.000 2.525 908 S HA 0.035 4.504 4.470 -0.001 0.000 0.285 908 S C 0.384 174.965 174.600 -0.032 0.000 1.283 908 S CA -0.273 57.910 58.200 -0.028 0.000 1.072 908 S CB -0.845 62.340 63.200 -0.025 0.000 0.867 908 S HN 0.264 nan 8.310 nan 0.000 0.492 909 N N 2.794 121.419 118.700 -0.125 0.000 2.493 909 N HA 0.431 5.170 4.740 -0.001 0.000 0.275 909 N C 0.230 175.709 175.510 -0.051 0.000 1.186 909 N CA -0.185 52.730 53.050 -0.226 0.000 0.978 909 N CB 1.631 39.685 38.487 -0.722 0.000 1.184 909 N HN 0.718 nan 8.380 nan 0.000 0.487 910 T N -1.289 113.352 114.554 0.145 0.000 2.572 910 T HA 0.646 4.995 4.350 -0.001 0.000 0.274 910 T C -1.182 173.760 174.700 0.403 0.000 0.949 910 T CA -0.459 61.832 62.100 0.318 0.000 1.126 910 T CB 0.301 69.321 68.868 0.253 0.000 1.478 910 T HN 0.461 nan 8.240 nan 0.000 0.492 911 A N 0.847 123.898 122.820 0.384 0.000 2.425 911 A HA 0.623 4.942 4.320 -0.001 0.000 0.249 911 A C -1.030 176.884 177.584 0.550 0.000 1.084 911 A CA 0.027 52.333 52.037 0.448 0.000 0.781 911 A CB -0.459 18.906 19.000 0.608 0.000 1.019 911 A HN 0.596 nan 8.150 nan 0.000 0.490 912 F N 0.976 121.144 119.950 0.363 0.000 2.608 912 F HA 0.433 4.959 4.527 -0.001 0.000 0.309 912 F C 0.373 176.331 175.800 0.264 0.000 1.103 912 F CA -0.945 57.238 58.000 0.306 0.000 0.954 912 F CB 1.609 40.662 39.000 0.088 0.000 1.267 912 F HN 0.736 nan 8.300 nan 0.000 0.444 913 R N 2.872 123.757 120.500 0.642 0.000 2.730 913 R HA 0.262 4.602 4.340 -0.001 0.000 0.327 913 R C 0.871 177.377 176.300 0.344 0.000 0.825 913 R CA 1.980 58.338 56.100 0.430 0.000 1.130 913 R CB -0.619 29.924 30.300 0.404 0.000 0.883 913 R HN 1.121 nan 8.270 nan 0.000 0.407 914 G N 3.740 112.710 108.800 0.282 0.000 2.481 914 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.200 914 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.200 914 G C 0.220 175.385 174.900 0.441 0.000 1.012 914 G CA -0.132 45.145 45.100 0.296 0.000 0.676 914 G HN 0.706 nan 8.290 nan 0.000 0.488 915 F N 0.989 121.061 119.950 0.204 0.000 3.004 915 F HA 0.025 4.551 4.527 -0.001 0.000 0.264 915 F C 1.865 177.703 175.800 0.062 0.000 0.979 915 F CA 2.731 60.825 58.000 0.156 0.000 0.896 915 F CB -0.959 38.135 39.000 0.157 0.000 0.813 915 F HN 1.982 nan 8.300 nan 0.000 0.804 916 G N -0.862 107.916 108.800 -0.036 0.000 2.317 916 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.227 916 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.227 916 G C 1.515 176.294 174.900 -0.202 0.000 1.042 916 G CA 0.610 45.618 45.100 -0.155 0.000 0.623 916 G HN 1.461 nan 8.290 nan 0.000 0.509 917 G N 1.822 110.525 108.800 -0.163 0.000 2.469 917 G HA2 0.025 3.984 3.960 -0.001 0.000 0.219 917 G HA3 0.025 3.984 3.960 -0.001 0.000 0.219 917 G C 0.115 174.878 174.900 -0.227 0.000 1.150 917 G CA 2.091 46.985 45.100 -0.344 0.000 0.763 917 G HN 0.561 nan 8.290 nan 0.000 0.561 918 P HA -0.076 nan 4.420 nan 0.000 0.215 918 P C 1.782 179.040 177.300 -0.070 0.000 1.153 918 P CA 1.310 64.430 63.100 0.034 0.000 0.853 918 P CB 0.018 31.774 31.700 0.094 0.000 0.788 919 Q N -0.819 118.820 119.800 -0.269 0.000 2.046 919 Q HA -0.034 4.306 4.340 -0.001 0.000 0.200 919 Q C 2.433 178.214 176.000 -0.365 0.000 0.975 919 Q CA 1.883 57.418 55.803 -0.447 0.000 0.836 919 Q CB -1.642 26.407 28.738 -1.148 0.000 0.896 919 Q HN 0.215 nan 8.270 nan 0.000 0.428 920 G N 0.391 108.977 108.800 -0.356 0.000 2.446 920 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.217 920 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.217 920 G C 1.376 176.194 174.900 -0.136 0.000 1.168 920 G CA 1.086 46.099 45.100 -0.145 0.000 0.771 920 G HN 0.240 nan 8.290 nan 0.000 0.551 921 M N -0.456 118.932 119.600 -0.353 0.000 2.254 921 M HA 0.118 4.597 4.480 -0.001 0.000 0.265 921 M C 2.403 178.446 176.300 -0.427 0.000 1.066 921 M CA 0.626 55.558 55.300 -0.613 0.000 1.123 921 M CB -0.189 31.549 32.600 -1.438 0.000 1.388 921 M HN 0.246 nan 8.290 nan 0.000 0.425 922 L N 0.827 121.952 121.223 -0.165 0.000 2.093 922 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 922 L C 2.071 178.928 176.870 -0.021 0.000 1.085 922 L CA 1.681 56.585 54.840 0.107 0.000 0.755 922 L CB -0.328 41.676 42.059 -0.091 0.000 0.904 922 L HN 0.198 nan 8.230 nan 0.000 0.435 923 I N -0.545 119.991 120.570 -0.055 0.000 2.226 923 I HA -0.312 3.857 4.170 -0.001 0.000 0.245 923 I C 2.604 178.578 176.117 -0.238 0.000 1.100 923 I CA 1.160 62.446 61.300 -0.024 0.000 1.374 923 I CB -0.682 37.394 38.000 0.127 0.000 1.057 923 I HN 0.359 nan 8.210 nan 0.000 0.413 924 A N 0.435 123.096 122.820 -0.264 0.000 1.865 924 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 924 A C 2.191 179.045 177.584 -1.217 0.000 1.191 924 A CA 1.639 53.268 52.037 -0.680 0.000 0.623 924 A CB -0.499 18.359 19.000 -0.237 0.000 0.826 924 A HN 0.322 nan 8.150 nan 0.000 0.444 925 E N -0.689 119.172 120.200 -0.566 0.000 2.338 925 E HA -0.130 4.219 4.350 -0.001 0.000 0.197 925 E C 1.971 178.141 176.600 -0.716 0.000 1.007 925 E CA 0.775 56.818 56.400 -0.595 0.000 0.849 925 E CB -0.862 28.661 29.700 -0.295 0.000 0.774 925 E HN 0.643 nan 8.360 nan 0.000 0.506 926 C N 1.124 120.183 119.300 -0.402 0.000 2.473 926 C HA -0.078 4.381 4.460 -0.001 0.000 0.279 926 C C 2.606 177.396 174.990 -0.333 0.000 1.250 926 C CA 0.881 59.819 59.018 -0.133 0.000 1.713 926 C CB -1.311 26.415 27.740 -0.025 0.000 2.066 926 C HN 0.730 nan 8.230 nan 0.000 0.474 927 W N 0.344 121.333 121.300 -0.519 0.000 2.519 927 W HA -0.024 4.636 4.660 -0.001 0.000 0.266 927 W C 2.020 178.325 176.519 -0.357 0.000 1.253 927 W CA 0.819 57.848 57.345 -0.526 0.000 1.274 927 W CB -1.219 27.802 29.460 -0.733 0.000 1.114 927 W HN 0.306 nan 8.180 nan 0.000 0.596 928 M N 3.443 122.633 119.600 -0.684 0.000 2.099 928 M HA -0.179 4.300 4.480 -0.001 0.000 0.262 928 M C 2.538 178.597 176.300 -0.401 0.000 1.067 928 M CA 2.931 57.866 55.300 -0.609 0.000 1.124 928 M CB -0.989 31.021 32.600 -0.983 0.000 1.353 928 M HN 0.048 nan 8.290 nan 0.000 0.410 929 S N -0.680 114.764 115.700 -0.428 0.000 2.399 929 S HA -0.138 4.331 4.470 -0.001 0.000 0.231 929 S C 1.762 176.261 174.600 -0.168 0.000 1.022 929 S CA 1.420 59.442 58.200 -0.297 0.000 0.983 929 S CB -0.920 62.088 63.200 -0.321 0.000 0.803 929 S HN 0.691 nan 8.310 nan 0.000 0.480 930 E N 0.707 120.831 120.200 -0.127 0.000 2.208 930 E HA -0.017 4.332 4.350 -0.001 0.000 0.193 930 E C 2.026 178.541 176.600 -0.142 0.000 0.988 930 E CA 0.915 57.281 56.400 -0.056 0.000 0.828 930 E CB -0.239 29.497 29.700 0.059 0.000 0.763 930 E HN 0.426 nan 8.360 nan 0.000 0.478 931 V N 1.429 121.168 119.914 -0.292 0.000 2.323 931 V HA -0.232 3.888 4.120 -0.001 0.000 0.244 931 V C 2.379 178.259 176.094 -0.356 0.000 1.041 931 V CA 1.784 63.692 62.300 -0.654 0.000 1.025 931 V CB -0.599 30.777 31.823 -0.744 0.000 0.656 931 V HN 0.281 nan 8.190 nan 0.000 0.451 932 A N -0.163 122.525 122.820 -0.220 0.000 1.908 932 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 932 A C 2.392 179.949 177.584 -0.045 0.000 1.181 932 A CA 2.203 54.174 52.037 -0.111 0.000 0.627 932 A CB -0.729 18.214 19.000 -0.094 0.000 0.818 932 A HN 0.336 nan 8.150 nan 0.000 0.445 933 V N -0.312 119.578 119.914 -0.040 0.000 2.295 933 V HA -0.233 3.886 4.120 -0.001 0.000 0.246 933 V C 2.749 178.872 176.094 0.048 0.000 1.049 933 V CA 2.503 64.811 62.300 0.015 0.000 1.024 933 V CB -1.250 30.588 31.823 0.026 0.000 0.648 933 V HN 0.622 nan 8.190 nan 0.000 0.447 934 T N -1.212 113.377 114.554 0.057 0.000 2.821 934 T HA -0.190 4.159 4.350 -0.001 0.000 0.267 934 T C 1.666 176.468 174.700 0.170 0.000 1.046 934 T CA 1.821 64.012 62.100 0.151 0.000 1.139 934 T CB -0.444 68.601 68.868 0.295 0.000 0.871 934 T HN 0.547 nan 8.240 nan 0.000 0.454 935 C N 1.383 120.773 119.300 0.151 0.000 2.576 935 C HA 0.434 4.894 4.460 -0.001 0.000 0.267 935 C C 2.127 177.170 174.990 0.087 0.000 1.364 935 C CA -0.573 58.532 59.018 0.145 0.000 1.723 935 C CB -1.655 26.170 27.740 0.141 0.000 1.778 935 C HN 0.798 nan 8.230 nan 0.000 0.572 936 G N 1.110 109.953 108.800 0.071 0.000 2.296 936 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.282 936 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.282 936 G C -0.123 174.807 174.900 0.051 0.000 1.014 936 G CA 0.559 45.693 45.100 0.057 0.000 0.812 936 G HN 0.578 nan 8.290 nan 0.000 0.508 937 M N -0.572 119.055 119.600 0.045 0.000 2.644 937 M HA 0.460 4.939 4.480 -0.001 0.000 0.316 937 M C -2.362 173.965 176.300 0.044 0.000 1.200 937 M CA -2.290 53.038 55.300 0.046 0.000 0.944 937 M CB 1.546 34.172 32.600 0.044 0.000 1.691 937 M HN -0.171 nan 8.290 nan 0.000 0.471 938 P HA 0.094 nan 4.420 nan 0.000 0.267 938 P C -0.244 177.099 177.300 0.072 0.000 1.205 938 P CA 0.110 63.258 63.100 0.079 0.000 0.765 938 P CB 0.666 32.435 31.700 0.114 0.000 0.828 939 A N 4.824 127.681 122.820 0.062 0.000 1.948 939 A HA -0.240 4.080 4.320 -0.001 0.000 0.220 939 A C 1.954 179.581 177.584 0.072 0.000 1.177 939 A CA 1.734 53.788 52.037 0.030 0.000 0.636 939 A CB -0.931 18.078 19.000 0.015 0.000 0.815 939 A HN 0.676 nan 8.150 nan 0.000 0.449 940 E N 0.275 120.552 120.200 0.129 0.000 2.118 940 E HA -0.281 4.068 4.350 -0.001 0.000 0.195 940 E C 1.816 178.557 176.600 0.236 0.000 0.992 940 E CA 1.604 58.120 56.400 0.193 0.000 0.804 940 E CB -0.591 29.136 29.700 0.046 0.000 0.741 940 E HN 0.803 nan 8.360 nan 0.000 0.458 941 E N 0.820 121.118 120.200 0.163 0.000 2.028 941 E HA -0.120 4.230 4.350 -0.001 0.000 0.191 941 E C 2.346 178.976 176.600 0.050 0.000 0.988 941 E CA 1.275 57.751 56.400 0.126 0.000 0.799 941 E CB 0.174 29.942 29.700 0.114 0.000 0.755 941 E HN 0.151 nan 8.360 nan 0.000 0.447 942 V N 1.445 121.366 119.914 0.012 0.000 2.392 942 V HA -0.275 3.844 4.120 -0.001 0.000 0.249 942 V C 2.446 178.463 176.094 -0.128 0.000 1.059 942 V CA 1.927 64.191 62.300 -0.059 0.000 1.051 942 V CB -0.537 31.230 31.823 -0.094 0.000 0.658 942 V HN 0.255 nan 8.190 nan 0.000 0.455 943 R N -0.455 119.983 120.500 -0.104 0.000 2.062 943 R HA -0.082 4.258 4.340 -0.001 0.000 0.229 943 R C 2.556 178.760 176.300 -0.161 0.000 1.128 943 R CA 1.333 57.342 56.100 -0.152 0.000 0.960 943 R CB -0.382 29.917 30.300 -0.001 0.000 0.855 943 R HN 0.413 nan 8.270 nan 0.000 0.432 944 R N 2.166 122.576 120.500 -0.151 0.000 2.091 944 R HA -0.177 4.162 4.340 -0.001 0.000 0.238 944 R C 2.062 178.282 176.300 -0.133 0.000 1.136 944 R CA 2.129 58.084 56.100 -0.241 0.000 0.959 944 R CB -0.055 30.238 30.300 -0.012 0.000 0.856 944 R HN 0.196 nan 8.270 nan 0.000 0.437 945 K N -1.048 119.312 120.400 -0.067 0.000 2.366 945 K HA 0.000 4.320 4.320 -0.001 0.000 0.198 945 K C 1.018 177.584 176.600 -0.057 0.000 1.044 945 K CA 1.180 57.439 56.287 -0.046 0.000 0.973 945 K CB 0.089 32.576 32.500 -0.022 0.000 0.767 945 K HN 0.120 nan 8.250 nan 0.000 0.475 946 N N 0.626 119.285 118.700 -0.069 0.000 2.280 946 N HA 0.058 4.797 4.740 -0.001 0.000 0.192 946 N C -0.376 175.151 175.510 0.030 0.000 1.109 946 N CA -0.105 52.916 53.050 -0.050 0.000 0.855 946 N CB 0.190 38.590 38.487 -0.146 0.000 0.974 946 N HN 0.103 nan 8.380 nan 0.000 0.482 947 L N 1.585 122.815 121.223 0.011 0.000 2.456 947 L HA 0.039 4.378 4.340 -0.001 0.000 0.272 947 L C 0.264 177.104 176.870 -0.051 0.000 1.189 947 L CA 0.076 54.904 54.840 -0.020 0.000 0.846 947 L CB -0.021 41.971 42.059 -0.111 0.000 1.111 947 L HN 0.065 nan 8.230 nan 0.000 0.475 948 Y N 3.029 123.265 120.300 -0.107 0.000 2.394 948 Y HA 0.224 4.773 4.550 -0.001 0.000 0.351 948 Y C 0.549 176.194 175.900 -0.425 0.000 1.272 948 Y CA 0.164 58.062 58.100 -0.337 0.000 1.508 948 Y CB 0.377 38.469 38.460 -0.613 0.000 1.369 948 Y HN 0.536 nan 8.280 nan 0.000 0.639 949 K N -0.118 120.087 120.400 -0.325 0.000 2.469 949 K HA 0.460 4.780 4.320 -0.001 0.000 0.254 949 K C -1.249 175.113 176.600 -0.397 0.000 0.939 949 K CA -1.247 54.878 56.287 -0.269 0.000 0.812 949 K CB 1.706 34.151 32.500 -0.092 0.000 1.301 949 K HN 0.389 nan 8.250 nan 0.000 0.433 950 E N 0.895 120.978 120.200 -0.196 0.000 2.765 950 E HA 0.050 4.400 4.350 -0.001 0.000 0.256 950 E C 0.949 177.458 176.600 -0.150 0.000 0.935 950 E CA 2.561 58.885 56.400 -0.128 0.000 0.954 950 E CB -0.257 29.451 29.700 0.013 0.000 0.908 950 E HN 0.840 nan 8.360 nan 0.000 0.500 951 G N 3.764 112.461 108.800 -0.171 0.000 2.258 951 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.233 951 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.233 951 G C 0.078 174.878 174.900 -0.167 0.000 1.006 951 G CA -0.006 45.014 45.100 -0.133 0.000 0.620 951 G HN 0.644 nan 8.290 nan 0.000 0.511 952 D N 0.608 120.872 120.400 -0.228 0.000 2.364 952 D HA 0.507 5.146 4.640 -0.001 0.000 0.236 952 D C 1.006 177.147 176.300 -0.266 0.000 1.221 952 D CA 0.348 54.232 54.000 -0.192 0.000 0.891 952 D CB 0.485 41.211 40.800 -0.124 0.000 1.190 952 D HN 0.394 nan 8.370 nan 0.000 0.449 953 L N 0.413 121.520 121.223 -0.194 0.000 2.342 953 L HA 0.389 4.728 4.340 -0.001 0.000 0.271 953 L C 0.991 177.700 176.870 -0.268 0.000 1.008 953 L CA -0.864 53.822 54.840 -0.256 0.000 0.818 953 L CB 1.822 43.787 42.059 -0.156 0.000 1.296 953 L HN 0.443 nan 8.230 nan 0.000 0.427 954 T N -3.554 110.692 114.554 -0.512 0.000 2.771 954 T HA 0.092 4.441 4.350 -0.001 0.000 0.290 954 T C 1.309 175.862 174.700 -0.245 0.000 1.005 954 T CA -0.314 61.512 62.100 -0.458 0.000 0.944 954 T CB 0.419 68.604 68.868 -1.138 0.000 1.147 954 T HN 0.737 nan 8.240 nan 0.000 0.534 955 H N 0.142 119.137 119.070 -0.125 0.000 2.491 955 H HA 0.001 4.557 4.556 -0.001 0.000 0.290 955 H C 1.310 176.706 175.328 0.113 0.000 1.050 955 H CA 0.965 57.041 56.048 0.046 0.000 1.309 955 H CB -0.831 29.028 29.762 0.161 0.000 1.392 955 H HN 0.731 nan 8.280 nan 0.000 0.554 956 F N 0.384 120.108 119.950 -0.376 0.000 2.692 956 F HA 0.374 4.901 4.527 -0.001 0.000 0.303 956 F C 0.203 176.006 175.800 0.005 0.000 1.114 956 F CA -0.789 57.116 58.000 -0.158 0.000 1.361 956 F CB -0.229 38.592 39.000 -0.298 0.000 1.063 956 F HN -0.105 nan 8.300 nan 0.000 0.550 957 N N 0.845 119.414 118.700 -0.219 0.000 2.782 957 N HA -0.258 4.481 4.740 -0.001 0.000 0.251 957 N C 0.025 175.440 175.510 -0.158 0.000 1.101 957 N CA 1.013 53.976 53.050 -0.145 0.000 0.764 957 N CB -1.114 37.371 38.487 -0.004 0.000 1.122 957 N HN 0.727 nan 8.380 nan 0.000 0.561 958 Q N 1.054 120.663 119.800 -0.318 0.000 2.259 958 Q HA 0.252 4.591 4.340 -0.001 0.000 0.246 958 Q C 0.111 175.995 176.000 -0.193 0.000 0.920 958 Q CA -0.347 55.386 55.803 -0.117 0.000 0.895 958 Q CB 1.001 29.812 28.738 0.121 0.000 1.220 958 Q HN 0.128 nan 8.270 nan 0.000 0.439 959 K N 4.029 124.382 120.400 -0.078 0.000 2.276 959 K HA 0.202 4.521 4.320 -0.001 0.000 0.283 959 K C -0.965 175.570 176.600 -0.108 0.000 1.044 959 K CA -0.283 55.936 56.287 -0.113 0.000 0.944 959 K CB 0.464 32.934 32.500 -0.050 0.000 1.012 959 K HN 0.640 nan 8.250 nan 0.000 0.472 960 L N 5.445 126.518 121.223 -0.250 0.000 2.302 960 L HA 0.221 4.560 4.340 -0.001 0.000 0.285 960 L C -0.027 176.795 176.870 -0.079 0.000 1.090 960 L CA -0.165 54.521 54.840 -0.256 0.000 0.866 960 L CB 0.566 42.268 42.059 -0.595 0.000 1.244 960 L HN 0.636 nan 8.230 nan 0.000 0.435 961 E N 1.574 121.816 120.200 0.071 0.000 2.227 961 E HA 0.440 4.789 4.350 -0.001 0.000 0.268 961 E C 0.662 177.367 176.600 0.175 0.000 0.990 961 E CA -0.554 55.900 56.400 0.090 0.000 0.856 961 E CB 1.645 31.390 29.700 0.075 0.000 1.159 961 E HN 0.635 nan 8.360 nan 0.000 0.401 962 G N 1.774 110.652 108.800 0.129 0.000 2.305 962 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.287 962 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.287 962 G C -0.291 174.708 174.900 0.166 0.000 1.036 962 G CA 0.124 45.306 45.100 0.135 0.000 0.887 962 G HN 0.416 nan 8.290 nan 0.000 0.505 963 F N 2.558 122.443 119.950 -0.109 0.000 2.600 963 F HA 0.405 4.931 4.527 -0.001 0.000 0.345 963 F C 1.842 177.400 175.800 -0.404 0.000 1.271 963 F CA 0.198 57.961 58.000 -0.394 0.000 1.138 963 F CB 0.152 38.958 39.000 -0.322 0.000 1.449 963 F HN 0.190 nan 8.300 nan 0.000 0.645 964 T N 1.972 116.107 114.554 -0.698 0.000 3.129 964 T HA -0.043 4.307 4.350 -0.001 0.000 0.251 964 T C 1.888 176.251 174.700 -0.562 0.000 1.117 964 T CA 0.239 62.078 62.100 -0.435 0.000 1.034 964 T CB -0.264 68.532 68.868 -0.120 0.000 0.968 964 T HN 0.509 nan 8.240 nan 0.000 0.526 965 L N 2.258 122.787 121.223 -1.157 0.000 2.012 965 L HA 0.122 4.461 4.340 -0.001 0.000 0.210 965 L C -0.823 175.834 176.870 -0.355 0.000 1.073 965 L CA 1.841 56.220 54.840 -0.768 0.000 0.748 965 L CB -1.119 40.247 42.059 -1.155 0.000 0.891 965 L HN 0.119 nan 8.230 nan 0.000 0.431 966 P HA -0.189 nan 4.420 nan 0.000 0.216 966 P C 1.440 178.755 177.300 0.024 0.000 1.150 966 P CA 1.678 64.731 63.100 -0.078 0.000 0.843 966 P CB -0.066 31.608 31.700 -0.043 0.000 0.787 967 R N -1.318 119.156 120.500 -0.043 0.000 2.066 967 R HA -0.090 4.249 4.340 -0.001 0.000 0.232 967 R C 2.350 178.668 176.300 0.030 0.000 1.131 967 R CA 1.591 57.690 56.100 -0.002 0.000 0.955 967 R CB -1.289 28.993 30.300 -0.029 0.000 0.851 967 R HN 0.240 nan 8.270 nan 0.000 0.432 968 C N -0.229 119.083 119.300 0.020 0.000 2.413 968 C HA -0.165 4.295 4.460 -0.001 0.000 0.276 968 C C 2.394 177.446 174.990 0.104 0.000 1.248 968 C CA 0.239 59.290 59.018 0.055 0.000 1.742 968 C CB -1.081 26.699 27.740 0.067 0.000 2.017 968 C HN 0.667 nan 8.230 nan 0.000 0.481 969 W N 1.593 122.858 121.300 -0.059 0.000 2.355 969 W HA -0.115 4.544 4.660 -0.001 0.000 0.309 969 W C 2.205 178.707 176.519 -0.028 0.000 1.206 969 W CA 1.539 58.858 57.345 -0.043 0.000 1.284 969 W CB -0.341 29.093 29.460 -0.044 0.000 1.145 969 W HN 0.370 nan 8.180 nan 0.000 0.502 970 E N 0.497 120.792 120.200 0.158 0.000 2.028 970 E HA -0.206 4.143 4.350 -0.001 0.000 0.191 970 E C 1.880 178.474 176.600 -0.010 0.000 0.988 970 E CA 1.437 57.875 56.400 0.063 0.000 0.799 970 E CB -0.823 28.930 29.700 0.088 0.000 0.755 970 E HN 0.458 nan 8.360 nan 0.000 0.447 971 E N 0.077 120.278 120.200 0.001 0.000 2.097 971 E HA -0.213 4.137 4.350 -0.001 0.000 0.196 971 E C 2.217 178.792 176.600 -0.041 0.000 1.000 971 E CA 1.202 57.594 56.400 -0.013 0.000 0.804 971 E CB -0.205 29.492 29.700 -0.004 0.000 0.740 971 E HN 0.217 nan 8.360 nan 0.000 0.454 972 C N 0.434 119.687 119.300 -0.078 0.000 2.446 972 C HA -0.085 4.374 4.460 -0.001 0.000 0.277 972 C C 2.587 177.489 174.990 -0.147 0.000 1.275 972 C CA 0.455 59.400 59.018 -0.121 0.000 1.727 972 C CB -0.985 26.648 27.740 -0.178 0.000 2.010 972 C HN 0.363 nan 8.230 nan 0.000 0.486 973 L N 1.016 122.109 121.223 -0.215 0.000 2.017 973 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 973 L C 2.989 179.860 176.870 0.001 0.000 1.073 973 L CA 1.804 56.559 54.840 -0.141 0.000 0.745 973 L CB -0.886 41.080 42.059 -0.155 0.000 0.894 973 L HN 0.427 nan 8.230 nan 0.000 0.432 974 A N 0.348 123.164 122.820 -0.006 0.000 1.851 974 A HA -0.241 4.078 4.320 -0.001 0.000 0.216 974 A C 2.510 180.103 177.584 0.014 0.000 1.195 974 A CA 2.334 54.380 52.037 0.016 0.000 0.622 974 A CB -0.915 18.089 19.000 0.006 0.000 0.831 974 A HN 0.527 nan 8.150 nan 0.000 0.444 975 S N 0.194 115.894 115.700 -0.001 0.000 2.423 975 S HA -0.121 4.348 4.470 -0.001 0.000 0.231 975 S C 1.877 176.483 174.600 0.010 0.000 1.014 975 S CA 1.571 59.771 58.200 0.001 0.000 0.965 975 S CB -0.700 62.495 63.200 -0.009 0.000 0.785 975 S HN 0.931 nan 8.310 nan 0.000 0.495 976 S N 0.606 116.313 115.700 0.012 0.000 2.558 976 S HA 0.126 4.595 4.470 -0.001 0.000 0.217 976 S C 0.591 175.223 174.600 0.053 0.000 0.975 976 S CA 0.086 58.304 58.200 0.030 0.000 0.912 976 S CB -0.738 62.479 63.200 0.029 0.000 0.776 976 S HN 0.559 nan 8.310 nan 0.000 0.526 977 Q N -0.362 119.475 119.800 0.062 0.000 2.451 977 Q HA -0.287 4.052 4.340 -0.001 0.000 0.305 977 Q C 0.256 176.311 176.000 0.091 0.000 1.345 977 Q CA 0.677 56.524 55.803 0.074 0.000 0.854 977 Q CB -2.360 26.402 28.738 0.040 0.000 1.162 977 Q HN 0.780 nan 8.270 nan 0.000 0.440 978 Y N 0.120 120.413 120.300 -0.012 0.000 2.040 978 Y HA -0.353 4.197 4.550 -0.001 0.000 0.275 978 Y C 2.006 177.860 175.900 -0.076 0.000 1.171 978 Y CA 2.771 60.828 58.100 -0.071 0.000 1.123 978 Y CB -0.224 38.147 38.460 -0.148 0.000 0.963 978 Y HN 0.460 nan 8.280 nan 0.000 0.493 979 H N -0.620 118.450 119.070 0.000 0.000 2.387 979 H HA -0.078 4.478 4.556 -0.001 0.000 0.299 979 H C 2.298 177.559 175.328 -0.112 0.000 1.090 979 H CA 1.474 57.469 56.048 -0.087 0.000 1.332 979 H CB -0.593 29.199 29.762 0.050 0.000 1.386 979 H HN 0.488 nan 8.280 nan 0.000 0.516 980 A N 1.020 123.873 122.820 0.054 0.000 1.877 980 A HA -0.183 4.136 4.320 -0.001 0.000 0.216 980 A C 2.207 179.764 177.584 -0.044 0.000 1.186 980 A CA 1.605 53.650 52.037 0.013 0.000 0.620 980 A CB -0.301 18.714 19.000 0.024 0.000 0.822 980 A HN 0.335 nan 8.150 nan 0.000 0.443 981 R N -0.749 119.697 120.500 -0.089 0.000 2.235 981 R HA -0.044 4.296 4.340 -0.001 0.000 0.213 981 R C 2.095 178.290 176.300 -0.175 0.000 1.059 981 R CA 1.148 57.181 56.100 -0.113 0.000 0.997 981 R CB -0.195 30.043 30.300 -0.105 0.000 0.884 981 R HN 0.553 nan 8.270 nan 0.000 0.462 982 K N 0.548 120.780 120.400 -0.281 0.000 2.103 982 K HA -0.099 4.220 4.320 -0.001 0.000 0.207 982 K C 1.919 178.441 176.600 -0.129 0.000 1.048 982 K CA 1.607 57.718 56.287 -0.292 0.000 0.930 982 K CB 0.137 32.403 32.500 -0.389 0.000 0.716 982 K HN 0.001 nan 8.250 nan 0.000 0.444 983 S N 0.612 116.264 115.700 -0.081 0.000 2.368 983 S HA -0.164 4.305 4.470 -0.001 0.000 0.224 983 S C 1.723 176.318 174.600 -0.008 0.000 1.029 983 S CA 1.170 59.353 58.200 -0.028 0.000 0.988 983 S CB -0.241 62.953 63.200 -0.009 0.000 0.838 983 S HN 0.421 nan 8.310 nan 0.000 0.462 984 E N 1.266 121.457 120.200 -0.016 0.000 2.049 984 E HA -0.183 4.166 4.350 -0.001 0.000 0.198 984 E C 2.002 178.625 176.600 0.038 0.000 1.007 984 E CA 1.643 58.050 56.400 0.012 0.000 0.809 984 E CB -0.189 29.505 29.700 -0.010 0.000 0.749 984 E HN 0.305 nan 8.360 nan 0.000 0.450 985 V N 1.706 121.616 119.914 -0.007 0.000 2.332 985 V HA -0.262 3.857 4.120 -0.001 0.000 0.248 985 V C 1.960 178.100 176.094 0.076 0.000 1.055 985 V CA 2.274 64.582 62.300 0.013 0.000 1.038 985 V CB -0.656 31.141 31.823 -0.044 0.000 0.651 985 V HN 0.258 nan 8.190 nan 0.000 0.450 986 D N -0.241 120.181 120.400 0.036 0.000 2.117 986 D HA -0.179 4.460 4.640 -0.001 0.000 0.197 986 D C 2.190 178.530 176.300 0.066 0.000 0.987 986 D CA 1.440 55.465 54.000 0.042 0.000 0.829 986 D CB -0.241 40.567 40.800 0.014 0.000 0.961 986 D HN 0.419 nan 8.370 nan 0.000 0.460 987 K N -0.493 119.950 120.400 0.072 0.000 2.097 987 K HA -0.148 4.171 4.320 -0.001 0.000 0.206 987 K C 2.062 178.721 176.600 0.099 0.000 1.049 987 K CA 0.728 57.057 56.287 0.069 0.000 0.933 987 K CB -0.274 32.263 32.500 0.062 0.000 0.717 987 K HN 0.107 nan 8.250 nan 0.000 0.442 988 F N 2.190 122.142 119.950 0.002 0.000 2.134 988 F HA -0.159 4.367 4.527 -0.001 0.000 0.299 988 F C 1.620 177.428 175.800 0.014 0.000 1.097 988 F CA 1.471 59.478 58.000 0.012 0.000 1.264 988 F CB -0.249 38.759 39.000 0.013 0.000 1.001 988 F HN 0.117 nan 8.300 nan 0.000 0.479 989 N N 0.830 119.665 118.700 0.225 0.000 2.289 989 N HA -0.148 4.591 4.740 -0.001 0.000 0.184 989 N C 1.633 177.126 175.510 -0.029 0.000 1.016 989 N CA 1.235 54.347 53.050 0.103 0.000 0.872 989 N CB -0.322 38.233 38.487 0.114 0.000 0.973 989 N HN 0.433 nan 8.380 nan 0.000 0.433 990 K N 0.812 121.196 120.400 -0.027 0.000 2.155 990 K HA -0.001 4.319 4.320 -0.001 0.000 0.203 990 K C 1.314 177.868 176.600 -0.077 0.000 1.052 990 K CA 0.811 57.074 56.287 -0.040 0.000 0.948 990 K CB 0.087 32.576 32.500 -0.018 0.000 0.728 990 K HN 0.368 nan 8.250 nan 0.000 0.448 991 E N 0.457 120.576 120.200 -0.135 0.000 2.442 991 E HA 0.039 4.389 4.350 -0.001 0.000 0.195 991 E C -0.026 176.440 176.600 -0.223 0.000 1.030 991 E CA 0.222 56.525 56.400 -0.161 0.000 0.869 991 E CB 0.174 29.777 29.700 -0.161 0.000 0.857 991 E HN 0.245 nan 8.360 nan 0.000 0.505 992 N N 0.167 118.677 118.700 -0.317 0.000 2.258 992 N HA 0.119 4.858 4.740 -0.001 0.000 0.299 992 N C -0.553 174.876 175.510 -0.135 0.000 1.047 992 N CA -0.297 52.591 53.050 -0.271 0.000 0.814 992 N CB 2.140 40.272 38.487 -0.591 0.000 1.413 992 N HN -0.034 nan 8.380 nan 0.000 0.478 993 C N 1.050 120.293 119.300 -0.095 0.000 2.689 993 C HA 0.293 4.752 4.460 -0.001 0.000 0.336 993 C C 0.799 175.529 174.990 -0.433 0.000 1.304 993 C CA -0.356 58.494 59.018 -0.279 0.000 1.860 993 C CB -0.622 26.898 27.740 -0.365 0.000 2.405 993 C HN 0.879 nan 8.230 nan 0.000 0.557 994 W N 1.893 123.272 121.300 0.132 0.000 3.123 994 W HA 0.438 5.098 4.660 -0.001 0.000 0.383 994 W C 0.475 177.099 176.519 0.175 0.000 1.102 994 W CA -0.347 57.087 57.345 0.148 0.000 1.865 994 W CB 0.229 29.737 29.460 0.080 0.000 1.111 994 W HN 0.057 nan 8.180 nan 0.000 0.621 995 K N 1.154 121.737 120.400 0.305 0.000 2.501 995 K HA 0.384 4.704 4.320 -0.001 0.000 0.252 995 K C -0.398 176.424 176.600 0.370 0.000 0.934 995 K CA -0.867 55.625 56.287 0.341 0.000 0.797 995 K CB 2.413 35.153 32.500 0.399 0.000 1.270 995 K HN -0.400 nan 8.250 nan 0.000 0.431 996 K N 2.115 122.720 120.400 0.342 0.000 2.482 996 K HA 0.527 4.846 4.320 -0.001 0.000 0.257 996 K C -0.714 175.994 176.600 0.181 0.000 0.969 996 K CA -0.852 55.615 56.287 0.300 0.000 0.842 996 K CB 2.372 34.950 32.500 0.130 0.000 1.359 996 K HN 0.540 nan 8.250 nan 0.000 0.441 997 R N -0.393 120.174 120.500 0.113 0.000 2.803 997 R HA 0.732 5.071 4.340 -0.001 0.000 0.276 997 R C -0.246 176.053 176.300 -0.002 0.000 0.978 997 R CA -1.040 55.035 56.100 -0.042 0.000 0.939 997 R CB 2.143 32.309 30.300 -0.223 0.000 1.179 997 R HN 0.757 nan 8.270 nan 0.000 0.472 998 G N 1.343 110.133 108.800 -0.017 0.000 2.682 998 G HA2 0.554 4.514 3.960 -0.001 0.000 0.300 998 G HA3 0.554 4.514 3.960 -0.001 0.000 0.300 998 G C -2.048 172.854 174.900 0.004 0.000 1.391 998 G CA -0.420 44.682 45.100 0.003 0.000 0.990 998 G HN 0.326 nan 8.290 nan 0.000 0.501 999 L N 1.133 122.366 121.223 0.016 0.000 2.354 999 L HA 0.920 5.259 4.340 -0.001 0.000 0.269 999 L C -0.802 176.143 176.870 0.125 0.000 1.005 999 L CA -0.676 54.189 54.840 0.042 0.000 0.819 999 L CB 2.125 44.155 42.059 -0.047 0.000 1.311 999 L HN 0.772 nan 8.230 nan 0.000 0.423 1000 C N 5.355 124.760 119.300 0.174 0.000 3.046 1000 C HA 0.561 5.020 4.460 -0.001 0.000 0.388 1000 C C -1.228 173.825 174.990 0.105 0.000 1.041 1000 C CA -0.902 58.220 59.018 0.173 0.000 1.241 1000 C CB 0.480 28.314 27.740 0.157 0.000 1.638 1000 C HN 0.908 nan 8.230 nan 0.000 0.539 1001 I N 7.140 127.700 120.570 -0.017 0.000 2.378 1001 I HA 0.730 4.900 4.170 -0.001 0.000 0.291 1001 I C -1.122 174.987 176.117 -0.013 0.000 0.992 1001 I CA -0.495 60.697 61.300 -0.180 0.000 1.154 1001 I CB 0.814 38.405 38.000 -0.681 0.000 1.315 1001 I HN 0.551 nan 8.210 nan 0.000 0.448 1002 I N 8.912 129.530 120.570 0.080 0.000 2.689 1002 I HA 0.606 4.775 4.170 -0.001 0.000 0.299 1002 I C -2.616 173.704 176.117 0.339 0.000 1.059 1002 I CA -2.038 59.400 61.300 0.229 0.000 1.055 1002 I CB 1.997 40.057 38.000 0.100 0.000 1.243 1002 I HN 0.389 nan 8.210 nan 0.000 0.425 1003 P HA 0.541 nan 4.420 nan 0.000 0.290 1003 P C -0.987 176.511 177.300 0.329 0.000 1.302 1003 P CA -0.548 62.776 63.100 0.374 0.000 0.893 1003 P CB 3.244 35.113 31.700 0.281 0.000 1.272 1004 T N -1.163 113.575 114.554 0.307 0.000 2.957 1004 T HA 0.429 4.778 4.350 -0.001 0.000 0.336 1004 T C -1.812 173.072 174.700 0.307 0.000 1.462 1004 T CA -0.654 61.649 62.100 0.339 0.000 1.073 1004 T CB 1.064 70.217 68.868 0.476 0.000 1.319 1004 T HN 0.587 nan 8.240 nan 0.000 0.485 1005 K N 3.400 123.964 120.400 0.273 0.000 2.397 1005 K HA 0.703 5.023 4.320 -0.001 0.000 0.253 1005 K C -1.976 174.784 176.600 0.267 0.000 0.932 1005 K CA -0.771 55.645 56.287 0.214 0.000 0.795 1005 K CB 1.464 34.109 32.500 0.242 0.000 1.159 1005 K HN 0.478 nan 8.250 nan 0.000 0.424 1006 F N 2.439 122.401 119.950 0.021 0.000 2.539 1006 F HA 0.438 4.965 4.527 -0.001 0.000 0.328 1006 F C 0.062 175.762 175.800 -0.168 0.000 1.148 1006 F CA -0.435 57.586 58.000 0.035 0.000 0.940 1006 F CB 1.785 40.744 39.000 -0.069 0.000 1.194 1006 F HN 0.714 nan 8.300 nan 0.000 0.438 1007 G N 6.865 115.245 108.800 -0.699 0.000 2.334 1007 G HA2 0.361 4.320 3.960 -0.001 0.000 0.261 1007 G HA3 0.361 4.320 3.960 -0.001 0.000 0.261 1007 G C -0.539 173.695 174.900 -1.110 0.000 1.257 1007 G CA -0.382 43.650 45.100 -1.780 0.000 0.935 1007 G HN 0.479 nan 8.290 nan 0.000 0.480 1008 I N 1.572 121.708 120.570 -0.724 0.000 2.331 1008 I HA 0.531 4.701 4.170 -0.001 0.000 0.292 1008 I C 0.456 176.406 176.117 -0.279 0.000 0.998 1008 I CA 0.029 61.059 61.300 -0.450 0.000 1.267 1008 I CB 0.382 37.901 38.000 -0.801 0.000 1.386 1008 I HN 0.526 nan 8.210 nan 0.000 0.476 1009 S N 4.379 119.975 115.700 -0.173 0.000 2.779 1009 S HA 0.068 4.537 4.470 -0.001 0.000 0.257 1009 S C -0.767 173.743 174.600 -0.150 0.000 0.634 1009 S CA -0.909 57.199 58.200 -0.154 0.000 1.183 1009 S CB -0.121 63.018 63.200 -0.102 0.000 1.457 1009 S HN 0.298 nan 8.310 nan 0.000 0.535 1010 F N 2.486 122.348 119.950 -0.147 0.000 2.538 1010 F HA 0.177 4.704 4.527 -0.001 0.000 0.371 1010 F C 2.272 177.944 175.800 -0.214 0.000 1.087 1010 F CA 0.809 58.691 58.000 -0.196 0.000 1.250 1010 F CB 0.753 39.612 39.000 -0.235 0.000 1.110 1010 F HN 0.773 nan 8.300 nan 0.000 0.570 1011 T N -1.053 113.508 114.554 0.011 0.000 2.962 1011 T HA -0.032 4.318 4.350 -0.001 0.000 0.270 1011 T C 0.628 175.304 174.700 -0.039 0.000 1.088 1011 T CA 0.383 62.453 62.100 -0.049 0.000 1.127 1011 T CB -0.468 68.472 68.868 0.121 0.000 0.883 1011 T HN 0.183 nan 8.240 nan 0.000 0.493 1012 V N 4.037 123.900 119.914 -0.084 0.000 2.322 1012 V HA 0.193 4.312 4.120 -0.001 0.000 0.258 1012 V C -1.242 174.624 176.094 -0.380 0.000 1.074 1012 V CA -1.671 60.464 62.300 -0.275 0.000 0.909 1012 V CB 0.759 32.294 31.823 -0.481 0.000 1.090 1012 V HN 0.182 nan 8.190 nan 0.000 0.486 1013 P HA -0.264 nan 4.420 nan 0.000 0.221 1013 P C 1.604 178.815 177.300 -0.149 0.000 1.160 1013 P CA 1.878 64.892 63.100 -0.142 0.000 0.933 1013 P CB -0.084 31.596 31.700 -0.033 0.000 0.793 1014 F N -1.637 118.276 119.950 -0.062 0.000 2.408 1014 F HA -0.029 4.497 4.527 -0.001 0.000 0.300 1014 F C 1.587 177.309 175.800 -0.130 0.000 1.090 1014 F CA 0.824 58.778 58.000 -0.076 0.000 1.427 1014 F CB -1.769 37.198 39.000 -0.056 0.000 1.070 1014 F HN -0.147 nan 8.300 nan 0.000 0.549 1015 L N 0.629 121.548 121.223 -0.506 0.000 2.552 1015 L HA -0.002 4.337 4.340 -0.001 0.000 0.227 1015 L C 0.566 177.213 176.870 -0.372 0.000 1.146 1015 L CA 0.305 54.813 54.840 -0.553 0.000 0.858 1015 L CB -0.738 40.623 42.059 -1.163 0.000 0.969 1015 L HN 0.141 nan 8.230 nan 0.000 0.451 1016 N N 2.617 121.234 118.700 -0.139 0.000 3.124 1016 N HA 0.090 4.829 4.740 -0.001 0.000 0.284 1016 N C -0.463 174.974 175.510 -0.121 0.000 1.209 1016 N CA 0.159 53.203 53.050 -0.010 0.000 1.149 1016 N CB 0.388 38.861 38.487 -0.024 0.000 1.434 1016 N HN 0.506 nan 8.380 nan 0.000 0.529 1017 Q N -0.813 118.915 119.800 -0.119 0.000 2.482 1017 Q HA 0.830 5.169 4.340 -0.001 0.000 0.286 1017 Q C -1.925 173.969 176.000 -0.176 0.000 1.007 1017 Q CA -1.267 54.381 55.803 -0.257 0.000 0.801 1017 Q CB 1.929 30.596 28.738 -0.118 0.000 1.455 1017 Q HN 0.106 nan 8.270 nan 0.000 0.398 1018 A N 0.337 122.964 122.820 -0.322 0.000 2.594 1018 A HA 0.930 5.250 4.320 -0.001 0.000 0.295 1018 A C -0.997 176.567 177.584 -0.033 0.000 1.071 1018 A CA -0.173 51.811 52.037 -0.088 0.000 0.685 1018 A CB 1.908 20.903 19.000 -0.009 0.000 1.285 1018 A HN 0.995 nan 8.150 nan 0.000 0.405 1019 G N -0.737 108.138 108.800 0.126 0.000 2.533 1019 G HA2 0.896 4.855 3.960 -0.001 0.000 0.304 1019 G HA3 0.896 4.855 3.960 -0.001 0.000 0.304 1019 G C -0.596 174.396 174.900 0.153 0.000 1.263 1019 G CA 0.013 45.233 45.100 0.201 0.000 0.964 1019 G HN 1.971 nan 8.290 nan 0.000 0.479 1020 A N -0.136 122.765 122.820 0.136 0.000 2.587 1020 A HA 0.817 5.136 4.320 -0.001 0.000 0.293 1020 A C -1.928 175.686 177.584 0.049 0.000 1.087 1020 A CA -0.611 51.490 52.037 0.107 0.000 0.692 1020 A CB 2.148 21.207 19.000 0.098 0.000 1.291 1020 A HN 1.520 nan 8.150 nan 0.000 0.407 1021 L N 0.979 122.194 121.223 -0.014 0.000 2.438 1021 L HA 0.778 5.117 4.340 -0.001 0.000 0.270 1021 L C -1.654 175.079 176.870 -0.227 0.000 0.972 1021 L CA -0.370 54.401 54.840 -0.115 0.000 0.831 1021 L CB 1.584 43.560 42.059 -0.138 0.000 1.273 1021 L HN 0.759 nan 8.230 nan 0.000 0.405 1022 L N 4.919 125.998 121.223 -0.241 0.000 2.381 1022 L HA 0.638 4.977 4.340 -0.001 0.000 0.274 1022 L C -1.342 175.388 176.870 -0.234 0.000 0.988 1022 L CA -0.492 54.221 54.840 -0.212 0.000 0.824 1022 L CB 1.112 43.142 42.059 -0.049 0.000 1.263 1022 L HN 0.655 nan 8.230 nan 0.000 0.410 1023 H N 4.043 123.068 119.070 -0.074 0.000 2.495 1023 H HA 0.511 5.067 4.556 -0.001 0.000 0.348 1023 H C -0.963 174.197 175.328 -0.281 0.000 1.113 1023 H CA -0.655 55.249 56.048 -0.239 0.000 1.195 1023 H CB 2.403 31.916 29.762 -0.415 0.000 1.521 1023 H HN 0.270 nan 8.280 nan 0.000 0.509 1024 V N 4.551 124.363 119.914 -0.170 0.000 2.376 1024 V HA 0.163 4.282 4.120 -0.001 0.000 0.287 1024 V C -0.637 175.307 176.094 -0.250 0.000 1.015 1024 V CA -0.822 61.423 62.300 -0.091 0.000 0.834 1024 V CB 0.256 32.102 31.823 0.039 0.000 1.001 1024 V HN 0.553 nan 8.190 nan 0.000 0.428 1025 Y N 2.154 122.481 120.300 0.044 0.000 2.301 1025 Y HA 0.206 4.756 4.550 -0.001 0.000 0.328 1025 Y C 2.170 178.008 175.900 -0.104 0.000 1.242 1025 Y CA 0.167 58.237 58.100 -0.050 0.000 1.323 1025 Y CB 0.930 39.370 38.460 -0.033 0.000 1.266 1025 Y HN 0.793 nan 8.280 nan 0.000 0.527 1026 T N -2.937 111.584 114.554 -0.054 0.000 2.918 1026 T HA -0.234 4.116 4.350 -0.001 0.000 0.271 1026 T C 1.031 175.691 174.700 -0.066 0.000 1.104 1026 T CA 1.549 63.551 62.100 -0.163 0.000 1.114 1026 T CB -0.299 68.353 68.868 -0.360 0.000 0.855 1026 T HN 0.796 nan 8.240 nan 0.000 0.518 1027 D N 0.785 121.192 120.400 0.010 0.000 2.349 1027 D HA 0.169 4.808 4.640 -0.001 0.000 0.224 1027 D C 1.763 178.108 176.300 0.075 0.000 1.029 1027 D CA 0.788 54.802 54.000 0.024 0.000 0.879 1027 D CB -0.549 40.262 40.800 0.019 0.000 0.906 1027 D HN 0.608 nan 8.370 nan 0.000 0.528 1028 G N 0.693 109.556 108.800 0.105 0.000 2.284 1028 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.230 1028 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.230 1028 G C 0.467 175.606 174.900 0.398 0.000 1.021 1028 G CA 0.442 45.684 45.100 0.237 0.000 0.619 1028 G HN 0.847 nan 8.290 nan 0.000 0.510 1029 S N 0.075 115.939 115.700 0.273 0.000 2.568 1029 S HA 0.556 5.026 4.470 -0.001 0.000 0.282 1029 S C 0.205 175.001 174.600 0.327 0.000 1.338 1029 S CA 0.202 58.557 58.200 0.260 0.000 1.045 1029 S CB 2.040 65.349 63.200 0.181 0.000 0.873 1029 S HN 1.244 nan 8.310 nan 0.000 0.516 1030 V N 3.106 123.182 119.914 0.271 0.000 2.581 1030 V HA 0.578 4.697 4.120 -0.001 0.000 0.303 1030 V C -0.429 175.811 176.094 0.245 0.000 1.041 1030 V CA -0.929 61.513 62.300 0.237 0.000 0.907 1030 V CB 1.373 33.304 31.823 0.181 0.000 0.994 1030 V HN 0.881 nan 8.190 nan 0.000 0.442 1031 L N 5.330 126.689 121.223 0.226 0.000 2.316 1031 L HA 0.600 4.940 4.340 -0.001 0.000 0.280 1031 L C -0.951 175.967 176.870 0.079 0.000 1.006 1031 L CA 0.050 55.034 54.840 0.240 0.000 0.836 1031 L CB 1.075 43.384 42.059 0.417 0.000 1.221 1031 L HN 0.628 nan 8.230 nan 0.000 0.418 1032 L N 4.683 125.930 121.223 0.040 0.000 2.334 1032 L HA 0.766 5.106 4.340 -0.001 0.000 0.276 1032 L C -0.761 176.075 176.870 -0.057 0.000 1.014 1032 L CA -0.176 54.655 54.840 -0.015 0.000 0.815 1032 L CB 2.057 44.129 42.059 0.022 0.000 1.268 1032 L HN 0.734 nan 8.230 nan 0.000 0.428 1033 T N 1.042 115.562 114.554 -0.056 0.000 2.900 1033 T HA 0.680 5.029 4.350 -0.001 0.000 0.303 1033 T C -1.408 173.293 174.700 0.002 0.000 1.142 1033 T CA -0.714 61.320 62.100 -0.110 0.000 1.007 1033 T CB 1.877 70.682 68.868 -0.106 0.000 1.156 1033 T HN 0.819 nan 8.240 nan 0.000 0.490 1034 H N -2.325 116.742 119.070 -0.005 0.000 3.003 1034 H HA 0.615 5.170 4.556 -0.001 0.000 0.327 1034 H C 1.034 176.389 175.328 0.045 0.000 1.353 1034 H CA -0.663 55.401 56.048 0.026 0.000 1.142 1034 H CB 0.510 30.295 29.762 0.038 0.000 1.864 1034 H HN 0.676 nan 8.280 nan 0.000 0.529 1035 G N 0.416 109.328 108.800 0.186 0.000 2.501 1035 G HA2 0.034 3.993 3.960 -0.001 0.000 0.220 1035 G HA3 0.034 3.993 3.960 -0.001 0.000 0.220 1035 G C 0.776 175.763 174.900 0.145 0.000 1.114 1035 G CA 0.325 45.496 45.100 0.118 0.000 0.757 1035 G HN 0.911 nan 8.290 nan 0.000 0.559 1036 G N 0.096 109.128 108.800 0.387 0.000 2.442 1036 G HA2 0.435 4.394 3.960 -0.001 0.000 0.249 1036 G HA3 0.435 4.394 3.960 -0.001 0.000 0.249 1036 G C 0.154 175.122 174.900 0.113 0.000 1.263 1036 G CA 0.452 45.725 45.100 0.287 0.000 0.846 1036 G HN 0.419 nan 8.290 nan 0.000 0.555 1037 T N -0.750 113.811 114.554 0.011 0.000 2.855 1037 T HA 0.522 4.871 4.350 -0.001 0.000 0.281 1037 T C -0.297 174.298 174.700 -0.174 0.000 1.007 1037 T CA -0.851 61.213 62.100 -0.059 0.000 1.009 1037 T CB 2.248 71.086 68.868 -0.050 0.000 0.983 1037 T HN 0.449 nan 8.240 nan 0.000 0.455 1038 E N 2.950 122.996 120.200 -0.257 0.000 2.223 1038 E HA 0.358 4.708 4.350 -0.001 0.000 0.282 1038 E C 0.416 176.950 176.600 -0.111 0.000 1.046 1038 E CA -0.550 55.686 56.400 -0.273 0.000 0.857 1038 E CB 0.553 30.085 29.700 -0.279 0.000 1.055 1038 E HN 0.783 nan 8.360 nan 0.000 0.409 1039 M N 2.498 122.031 119.600 -0.112 0.000 2.504 1039 M HA 0.483 4.962 4.480 -0.001 0.000 0.370 1039 M C 0.785 177.020 176.300 -0.108 0.000 1.110 1039 M CA 0.064 55.285 55.300 -0.131 0.000 0.938 1039 M CB 0.736 33.197 32.600 -0.232 0.000 1.460 1039 M HN 0.568 nan 8.290 nan 0.000 0.535 1040 G N 1.736 110.536 108.800 0.000 0.000 2.192 1040 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.193 1040 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.193 1040 G C 0.718 175.669 174.900 0.086 0.000 0.999 1040 G CA 0.357 45.486 45.100 0.048 0.000 0.659 1040 G HN 0.629 nan 8.290 nan 0.000 0.503 1041 Q N 1.360 121.174 119.800 0.024 0.000 2.403 1041 Q HA 0.346 4.686 4.340 -0.001 0.000 0.203 1041 Q C 1.486 177.489 176.000 0.006 0.000 0.932 1041 Q CA 1.133 56.942 55.803 0.010 0.000 0.945 1041 Q CB -0.271 28.441 28.738 -0.043 0.000 1.045 1041 Q HN 1.859 nan 8.270 nan 0.000 0.511 1042 G N 2.242 111.054 108.800 0.020 0.000 2.273 1042 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.280 1042 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.280 1042 G C 0.351 175.148 174.900 -0.172 0.000 1.047 1042 G CA 0.490 45.481 45.100 -0.182 0.000 0.869 1042 G HN 0.433 nan 8.290 nan 0.000 0.502 1043 L N -0.383 120.735 121.223 -0.175 0.000 2.093 1043 L HA 0.088 4.427 4.340 -0.001 0.000 0.208 1043 L C 2.462 179.288 176.870 -0.074 0.000 1.085 1043 L CA 2.577 57.329 54.840 -0.147 0.000 0.755 1043 L CB -0.422 41.537 42.059 -0.166 0.000 0.904 1043 L HN 0.417 nan 8.230 nan 0.000 0.435 1044 H N -0.902 118.152 119.070 -0.026 0.000 2.357 1044 H HA -0.040 4.516 4.556 -0.001 0.000 0.301 1044 H C 2.115 177.395 175.328 -0.081 0.000 1.082 1044 H CA 1.709 57.760 56.048 0.004 0.000 1.342 1044 H CB -0.868 28.864 29.762 -0.050 0.000 1.389 1044 H HN 0.332 nan 8.280 nan 0.000 0.511 1045 T N 1.434 115.956 114.554 -0.053 0.000 2.635 1045 T HA -0.159 4.190 4.350 -0.001 0.000 0.267 1045 T C 2.019 176.692 174.700 -0.046 0.000 1.040 1045 T CA 1.644 63.689 62.100 -0.093 0.000 1.156 1045 T CB -0.011 68.745 68.868 -0.187 0.000 0.863 1045 T HN 0.377 nan 8.240 nan 0.000 0.430 1046 K N 0.428 120.796 120.400 -0.053 0.000 2.057 1046 K HA -0.007 4.312 4.320 -0.001 0.000 0.207 1046 K C 2.437 179.027 176.600 -0.016 0.000 1.049 1046 K CA 1.139 57.404 56.287 -0.037 0.000 0.931 1046 K CB -0.204 32.265 32.500 -0.051 0.000 0.714 1046 K HN 0.228 nan 8.250 nan 0.000 0.440 1047 M N 0.569 120.156 119.600 -0.022 0.000 2.149 1047 M HA -0.134 4.345 4.480 -0.001 0.000 0.261 1047 M C 2.283 178.594 176.300 0.017 0.000 1.064 1047 M CA 1.346 56.630 55.300 -0.026 0.000 1.102 1047 M CB -0.811 31.755 32.600 -0.057 0.000 1.369 1047 M HN -0.046 nan 8.290 nan 0.000 0.408 1048 V N 0.035 119.961 119.914 0.020 0.000 2.427 1048 V HA -0.246 3.873 4.120 -0.001 0.000 0.248 1048 V C 2.406 178.505 176.094 0.009 0.000 1.051 1048 V CA 1.458 63.765 62.300 0.013 0.000 1.048 1048 V CB -0.638 31.186 31.823 0.003 0.000 0.666 1048 V HN 0.509 nan 8.190 nan 0.000 0.456 1049 Q N -0.713 119.089 119.800 0.004 0.000 2.046 1049 Q HA -0.160 4.179 4.340 -0.001 0.000 0.200 1049 Q C 2.378 178.388 176.000 0.015 0.000 0.975 1049 Q CA 1.785 57.584 55.803 -0.006 0.000 0.836 1049 Q CB -0.266 28.461 28.738 -0.017 0.000 0.896 1049 Q HN 0.507 nan 8.270 nan 0.000 0.428 1050 V N 0.860 120.820 119.914 0.075 0.000 2.261 1050 V HA -0.312 3.807 4.120 -0.001 0.000 0.246 1050 V C 2.253 178.460 176.094 0.189 0.000 1.047 1050 V CA 1.939 64.372 62.300 0.222 0.000 1.015 1050 V CB -0.978 30.980 31.823 0.224 0.000 0.642 1050 V HN 0.439 nan 8.190 nan 0.000 0.446 1051 A N -0.707 122.173 122.820 0.099 0.000 1.883 1051 A HA -0.271 4.049 4.320 -0.001 0.000 0.217 1051 A C 2.570 180.164 177.584 0.016 0.000 1.186 1051 A CA 2.419 54.493 52.037 0.062 0.000 0.624 1051 A CB -0.921 18.099 19.000 0.034 0.000 0.822 1051 A HN 0.519 nan 8.150 nan 0.000 0.444 1052 S N -0.779 114.915 115.700 -0.010 0.000 2.399 1052 S HA -0.218 4.251 4.470 -0.001 0.000 0.231 1052 S C 2.176 176.743 174.600 -0.054 0.000 1.022 1052 S CA 1.748 59.913 58.200 -0.058 0.000 0.983 1052 S CB -0.335 62.834 63.200 -0.053 0.000 0.803 1052 S HN 0.649 nan 8.310 nan 0.000 0.480 1053 R N 0.631 121.117 120.500 -0.024 0.000 2.057 1053 R HA 0.172 4.512 4.340 -0.001 0.000 0.229 1053 R C 2.439 178.766 176.300 0.045 0.000 1.136 1053 R CA 1.417 57.492 56.100 -0.042 0.000 0.952 1053 R CB -0.929 29.265 30.300 -0.177 0.000 0.848 1053 R HN 0.369 nan 8.270 nan 0.000 0.430 1054 A N 1.085 123.994 122.820 0.148 0.000 1.865 1054 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 1054 A C 2.198 179.806 177.584 0.040 0.000 1.191 1054 A CA 1.665 53.795 52.037 0.155 0.000 0.623 1054 A CB -0.770 18.318 19.000 0.146 0.000 0.826 1054 A HN 0.388 nan 8.150 nan 0.000 0.444 1055 L N -1.932 119.284 121.223 -0.011 0.000 2.291 1055 L HA -0.018 4.321 4.340 -0.001 0.000 0.214 1055 L C 0.441 177.247 176.870 -0.107 0.000 1.120 1055 L CA 0.775 55.572 54.840 -0.072 0.000 0.799 1055 L CB -0.304 41.634 42.059 -0.202 0.000 0.925 1055 L HN 0.381 nan 8.230 nan 0.000 0.446 1056 K N 1.179 121.530 120.400 -0.083 0.000 3.181 1056 K HA -0.161 4.158 4.320 -0.001 0.000 0.269 1056 K C -0.590 175.922 176.600 -0.145 0.000 1.097 1056 K CA 0.566 56.817 56.287 -0.060 0.000 0.783 1056 K CB -1.677 30.843 32.500 0.033 0.000 1.267 1056 K HN 0.505 nan 8.250 nan 0.000 0.484 1057 I N -4.509 115.918 120.570 -0.238 0.000 2.894 1057 I HA 0.581 4.750 4.170 -0.001 0.000 0.302 1057 I C -2.827 173.171 176.117 -0.197 0.000 1.188 1057 I CA -3.151 57.961 61.300 -0.314 0.000 1.014 1057 I CB 2.371 39.971 38.000 -0.667 0.000 1.242 1057 I HN -0.280 nan 8.210 nan 0.000 0.430 1058 P HA 0.065 nan 4.420 nan 0.000 0.266 1058 P C 0.924 178.181 177.300 -0.073 0.000 1.195 1058 P CA -0.009 63.040 63.100 -0.085 0.000 0.768 1058 P CB 0.614 32.278 31.700 -0.060 0.000 0.838 1059 T N -1.437 113.093 114.554 -0.040 0.000 2.897 1059 T HA -0.181 4.168 4.350 -0.001 0.000 0.271 1059 T C 1.620 176.325 174.700 0.009 0.000 1.084 1059 T CA 1.547 63.637 62.100 -0.017 0.000 1.123 1059 T CB -1.116 67.751 68.868 -0.002 0.000 0.865 1059 T HN 0.439 nan 8.240 nan 0.000 0.496 1060 S N 1.873 117.577 115.700 0.006 0.000 2.419 1060 S HA -0.045 4.425 4.470 -0.001 0.000 0.233 1060 S C 1.783 176.404 174.600 0.034 0.000 1.016 1060 S CA 0.585 58.801 58.200 0.026 0.000 0.974 1060 S CB -0.464 62.745 63.200 0.015 0.000 0.786 1060 S HN 0.633 nan 8.310 nan 0.000 0.492 1061 K N 0.487 120.891 120.400 0.006 0.000 2.444 1061 K HA 0.358 4.677 4.320 -0.001 0.000 0.193 1061 K C -0.213 176.428 176.600 0.069 0.000 1.024 1061 K CA 0.149 56.452 56.287 0.027 0.000 1.077 1061 K CB -0.008 32.474 32.500 -0.030 0.000 0.833 1061 K HN 0.461 nan 8.250 nan 0.000 0.517 1062 I N 0.193 120.807 120.570 0.074 0.000 2.530 1062 I HA 0.267 4.436 4.170 -0.001 0.000 0.297 1062 I C -1.094 175.136 176.117 0.188 0.000 1.011 1062 I CA -1.254 60.110 61.300 0.107 0.000 1.107 1062 I CB 1.379 39.405 38.000 0.044 0.000 1.285 1062 I HN -0.122 nan 8.210 nan 0.000 0.436 1063 Y N 6.124 126.445 120.300 0.034 0.000 2.470 1063 Y HA 0.611 5.160 4.550 -0.001 0.000 0.341 1063 Y C -1.251 174.643 175.900 -0.010 0.000 1.021 1063 Y CA -0.833 57.277 58.100 0.016 0.000 1.025 1063 Y CB 1.739 40.217 38.460 0.030 0.000 1.266 1063 Y HN 0.340 nan 8.280 nan 0.000 0.448 1064 I N 5.020 125.206 120.570 -0.640 0.000 2.437 1064 I HA 0.186 4.356 4.170 -0.001 0.000 0.279 1064 I C 0.562 176.223 176.117 -0.760 0.000 1.028 1064 I CA -0.208 60.758 61.300 -0.556 0.000 1.142 1064 I CB 1.774 39.439 38.000 -0.559 0.000 1.266 1064 I HN 0.730 nan 8.210 nan 0.000 0.461 1065 S N 5.409 120.865 115.700 -0.407 0.000 2.362 1065 S HA 0.023 4.492 4.470 -0.001 0.000 0.221 1065 S C 0.544 175.040 174.600 -0.174 0.000 1.032 1065 S CA 1.066 59.154 58.200 -0.187 0.000 0.973 1065 S CB 0.238 63.506 63.200 0.113 0.000 0.849 1065 S HN 0.811 nan 8.310 nan 0.000 0.465 1066 E N -1.347 118.745 120.200 -0.180 0.000 2.432 1066 E HA 0.329 4.678 4.350 -0.001 0.000 0.279 1066 E C -1.742 174.771 176.600 -0.146 0.000 1.099 1066 E CA -0.947 55.379 56.400 -0.123 0.000 0.859 1066 E CB 0.720 30.409 29.700 -0.018 0.000 1.402 1066 E HN -0.001 nan 8.360 nan 0.000 0.451 1067 T N 1.095 115.600 114.554 -0.082 0.000 2.758 1067 T HA 0.527 4.876 4.350 -0.001 0.000 0.285 1067 T C -0.890 173.775 174.700 -0.059 0.000 0.981 1067 T CA -0.561 61.485 62.100 -0.090 0.000 0.965 1067 T CB 1.173 70.008 68.868 -0.055 0.000 0.927 1067 T HN 0.405 nan 8.240 nan 0.000 0.448 1068 S N 1.357 117.023 115.700 -0.057 0.000 2.547 1068 S HA 0.399 4.869 4.470 -0.001 0.000 0.281 1068 S C 1.431 176.007 174.600 -0.040 0.000 1.118 1068 S CA -0.548 57.622 58.200 -0.050 0.000 0.947 1068 S CB 1.268 64.445 63.200 -0.039 0.000 1.053 1068 S HN 0.824 nan 8.310 nan 0.000 0.482 1069 T N 1.488 116.013 114.554 -0.048 0.000 2.897 1069 T HA -0.139 4.210 4.350 -0.001 0.000 0.271 1069 T C 1.194 175.879 174.700 -0.025 0.000 1.084 1069 T CA 1.630 63.708 62.100 -0.038 0.000 1.123 1069 T CB -0.597 68.241 68.868 -0.049 0.000 0.865 1069 T HN 0.680 nan 8.240 nan 0.000 0.496 1070 N N 1.337 120.023 118.700 -0.023 0.000 2.270 1070 N HA 0.018 4.757 4.740 -0.001 0.000 0.198 1070 N C 1.231 176.748 175.510 0.012 0.000 1.117 1070 N CA 0.763 53.809 53.050 -0.008 0.000 0.845 1070 N CB -0.256 38.224 38.487 -0.011 0.000 0.980 1070 N HN 0.663 nan 8.380 nan 0.000 0.486 1071 T N -3.327 111.233 114.554 0.010 0.000 3.056 1071 T HA 0.282 4.632 4.350 -0.001 0.000 0.243 1071 T C 0.382 175.092 174.700 0.018 0.000 0.995 1071 T CA 0.037 62.151 62.100 0.024 0.000 1.091 1071 T CB 0.070 68.947 68.868 0.015 0.000 0.990 1071 T HN -0.089 nan 8.240 nan 0.000 0.464 1072 V N 4.478 124.399 119.914 0.011 0.000 2.462 1072 V HA 0.496 4.616 4.120 -0.001 0.000 0.288 1072 V C -2.639 173.469 176.094 0.024 0.000 1.020 1072 V CA -1.976 60.342 62.300 0.029 0.000 0.857 1072 V CB 2.042 33.892 31.823 0.044 0.000 1.013 1072 V HN 0.294 nan 8.190 nan 0.000 0.431 1073 P HA 0.327 nan 4.420 nan 0.000 0.280 1073 P C -0.269 177.046 177.300 0.025 0.000 1.272 1073 P CA -0.315 62.792 63.100 0.012 0.000 0.819 1073 P CB 0.636 32.337 31.700 0.001 0.000 1.122 1074 N N -1.571 117.133 118.700 0.007 0.000 2.707 1074 N HA -0.128 4.612 4.740 -0.001 0.000 0.253 1074 N C 0.074 175.604 175.510 0.033 0.000 0.998 1074 N CA 1.185 54.241 53.050 0.010 0.000 0.751 1074 N CB -2.259 36.234 38.487 0.011 0.000 0.920 1074 N HN 0.652 nan 8.380 nan 0.000 0.539 1075 T N -3.220 111.345 114.554 0.018 0.000 2.913 1075 T HA 0.522 4.872 4.350 -0.001 0.000 0.287 1075 T C 0.675 175.363 174.700 -0.020 0.000 1.008 1075 T CA -0.659 61.454 62.100 0.022 0.000 1.067 1075 T CB 1.831 70.717 68.868 0.030 0.000 0.996 1075 T HN 0.108 nan 8.240 nan 0.000 0.513 1076 S N 3.305 118.980 115.700 -0.041 0.000 2.617 1076 S HA 0.436 4.906 4.470 -0.001 0.000 0.269 1076 S C -2.081 172.483 174.600 -0.061 0.000 1.292 1076 S CA -0.998 57.118 58.200 -0.140 0.000 1.010 1076 S CB 0.247 63.262 63.200 -0.309 0.000 0.944 1076 S HN 0.749 nan 8.310 nan 0.000 0.536 1077 P HA 0.063 nan 4.420 nan 0.000 0.269 1077 P C -0.722 176.651 177.300 0.122 0.000 1.209 1077 P CA -0.184 62.926 63.100 0.018 0.000 0.776 1077 P CB 0.051 31.762 31.700 0.018 0.000 0.876 1078 T N 1.972 116.566 114.554 0.067 0.000 2.978 1078 T HA 0.459 4.808 4.350 -0.001 0.000 0.278 1078 T C 0.310 175.042 174.700 0.053 0.000 0.945 1078 T CA 0.352 62.489 62.100 0.063 0.000 1.070 1078 T CB -0.677 68.193 68.868 0.002 0.000 0.948 1078 T HN 0.613 nan 8.240 nan 0.000 0.617 1079 A N 2.032 124.910 122.820 0.097 0.000 2.557 1079 A HA 0.862 5.182 4.320 -0.001 0.000 0.292 1079 A C 0.528 177.921 177.584 -0.320 0.000 1.139 1079 A CA -0.325 51.699 52.037 -0.022 0.000 0.665 1079 A CB 0.223 19.266 19.000 0.072 0.000 1.285 1079 A HN 1.467 nan 8.150 nan 0.000 0.433 1080 A N -0.858 121.731 122.820 -0.385 0.000 2.847 1080 A HA 0.060 4.379 4.320 -0.001 0.000 0.263 1080 A C 1.194 178.558 177.584 -0.367 0.000 1.391 1080 A CA 1.727 53.441 52.037 -0.539 0.000 0.866 1080 A CB -2.527 15.715 19.000 -1.263 0.000 1.057 1080 A HN 2.493 nan 8.150 nan 0.000 0.673 1081 S N -4.381 111.178 115.700 -0.235 0.000 3.143 1081 S HA -0.359 4.110 4.470 -0.001 0.000 0.291 1081 S C 1.085 175.594 174.600 -0.151 0.000 1.294 1081 S CA 2.094 60.192 58.200 -0.169 0.000 1.115 1081 S CB -2.387 60.710 63.200 -0.173 0.000 1.318 1081 S HN 2.299 nan 8.310 nan 0.000 0.685 1082 V N -2.367 117.424 119.914 -0.206 0.000 3.542 1082 V HA 0.347 4.466 4.120 -0.001 0.000 0.296 1082 V C 1.537 177.606 176.094 -0.041 0.000 1.364 1082 V CA 0.686 62.913 62.300 -0.122 0.000 1.118 1082 V CB 0.484 32.207 31.823 -0.167 0.000 0.972 1082 V HN 0.341 nan 8.190 nan 0.000 0.430 1083 S N 1.831 117.507 115.700 -0.041 0.000 2.399 1083 S HA -0.007 4.462 4.470 -0.001 0.000 0.231 1083 S C 2.181 176.753 174.600 -0.047 0.000 1.022 1083 S CA 1.725 59.921 58.200 -0.007 0.000 0.983 1083 S CB -0.189 63.009 63.200 -0.002 0.000 0.803 1083 S HN 0.880 nan 8.310 nan 0.000 0.480 1084 A N 1.512 124.295 122.820 -0.062 0.000 1.970 1084 A HA -0.037 4.283 4.320 -0.001 0.000 0.216 1084 A C 1.728 179.261 177.584 -0.085 0.000 1.170 1084 A CA 1.289 53.275 52.037 -0.086 0.000 0.645 1084 A CB -0.506 18.453 19.000 -0.068 0.000 0.816 1084 A HN 0.331 nan 8.150 nan 0.000 0.447 1085 D N 0.100 120.473 120.400 -0.045 0.000 2.097 1085 D HA -0.103 4.536 4.640 -0.001 0.000 0.195 1085 D C 1.924 178.174 176.300 -0.084 0.000 0.989 1085 D CA 1.165 55.144 54.000 -0.035 0.000 0.827 1085 D CB -0.133 40.707 40.800 0.067 0.000 0.966 1085 D HN 0.436 nan 8.370 nan 0.000 0.456 1086 L N 0.031 121.248 121.223 -0.010 0.000 2.022 1086 L HA -0.057 4.282 4.340 -0.001 0.000 0.204 1086 L C 1.889 178.742 176.870 -0.029 0.000 1.076 1086 L CA 1.075 55.947 54.840 0.052 0.000 0.749 1086 L CB -0.497 41.619 42.059 0.095 0.000 0.903 1086 L HN -0.046 nan 8.230 nan 0.000 0.439 1087 N N 0.253 118.916 118.700 -0.061 0.000 2.289 1087 N HA -0.130 4.609 4.740 -0.001 0.000 0.184 1087 N C 1.817 177.229 175.510 -0.165 0.000 1.016 1087 N CA 1.128 54.110 53.050 -0.114 0.000 0.872 1087 N CB -0.344 38.002 38.487 -0.235 0.000 0.973 1087 N HN 0.359 nan 8.380 nan 0.000 0.433 1088 G N 0.615 109.306 108.800 -0.182 0.000 2.459 1088 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.217 1088 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.217 1088 G C 1.566 176.345 174.900 -0.202 0.000 1.183 1088 G CA 0.722 45.714 45.100 -0.180 0.000 0.776 1088 G HN 0.222 nan 8.290 nan 0.000 0.552 1089 Q N 0.239 119.843 119.800 -0.328 0.000 2.167 1089 Q HA 0.175 4.514 4.340 -0.001 0.000 0.202 1089 Q C 2.681 178.605 176.000 -0.126 0.000 0.970 1089 Q CA 1.530 57.074 55.803 -0.432 0.000 0.855 1089 Q CB -0.397 27.641 28.738 -1.167 0.000 0.911 1089 Q HN 0.436 nan 8.270 nan 0.000 0.438 1090 A N -1.026 121.760 122.820 -0.056 0.000 1.897 1090 A HA -0.082 4.237 4.320 -0.001 0.000 0.215 1090 A C 2.193 179.809 177.584 0.053 0.000 1.181 1090 A CA 1.282 53.344 52.037 0.042 0.000 0.620 1090 A CB -0.636 18.390 19.000 0.043 0.000 0.821 1090 A HN 0.240 nan 8.150 nan 0.000 0.443 1091 V N -1.278 118.649 119.914 0.022 0.000 2.343 1091 V HA -0.289 3.830 4.120 -0.001 0.000 0.247 1091 V C 2.337 178.469 176.094 0.062 0.000 1.051 1091 V CA 2.186 64.507 62.300 0.035 0.000 1.036 1091 V CB -0.968 30.861 31.823 0.010 0.000 0.654 1091 V HN 0.716 nan 8.190 nan 0.000 0.451 1092 Y N 1.324 121.582 120.300 -0.070 0.000 2.128 1092 Y HA -0.268 4.282 4.550 -0.001 0.000 0.284 1092 Y C 2.385 178.270 175.900 -0.025 0.000 1.154 1092 Y CA 1.747 59.806 58.100 -0.068 0.000 1.149 1092 Y CB -0.566 37.787 38.460 -0.177 0.000 0.976 1092 Y HN 0.163 nan 8.280 nan 0.000 0.505 1093 A N 0.326 123.199 122.820 0.089 0.000 1.933 1093 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 1093 A C 2.401 179.977 177.584 -0.014 0.000 1.175 1093 A CA 1.966 54.027 52.037 0.040 0.000 0.628 1093 A CB -1.480 17.599 19.000 0.131 0.000 0.814 1093 A HN 0.614 nan 8.150 nan 0.000 0.444 1094 A N -1.116 121.710 122.820 0.010 0.000 1.930 1094 A HA -0.127 4.193 4.320 -0.001 0.000 0.217 1094 A C 2.287 179.862 177.584 -0.015 0.000 1.175 1094 A CA 1.579 53.622 52.037 0.010 0.000 0.627 1094 A CB -1.197 17.816 19.000 0.022 0.000 0.815 1094 A HN 0.598 nan 8.150 nan 0.000 0.443 1095 C N -0.720 118.550 119.300 -0.051 0.000 2.429 1095 C HA -0.094 4.365 4.460 -0.001 0.000 0.277 1095 C C 2.875 177.813 174.990 -0.087 0.000 1.262 1095 C CA 1.082 60.070 59.018 -0.051 0.000 1.733 1095 C CB -1.030 26.665 27.740 -0.076 0.000 2.010 1095 C HN 0.592 nan 8.230 nan 0.000 0.483 1096 Q N 0.491 120.166 119.800 -0.210 0.000 2.084 1096 Q HA -0.130 4.209 4.340 -0.001 0.000 0.202 1096 Q C 2.231 178.192 176.000 -0.065 0.000 0.978 1096 Q CA 1.899 57.589 55.803 -0.189 0.000 0.844 1096 Q CB -1.194 27.374 28.738 -0.283 0.000 0.898 1096 Q HN 0.650 nan 8.270 nan 0.000 0.426 1097 T N 2.080 116.612 114.554 -0.037 0.000 2.684 1097 T HA -0.123 4.226 4.350 -0.001 0.000 0.267 1097 T C 1.899 176.613 174.700 0.022 0.000 1.036 1097 T CA 1.073 63.174 62.100 0.002 0.000 1.148 1097 T CB -0.124 68.753 68.868 0.015 0.000 0.863 1097 T HN 0.119 nan 8.240 nan 0.000 0.436 1098 I N 1.075 121.669 120.570 0.040 0.000 2.208 1098 I HA -0.093 4.076 4.170 -0.001 0.000 0.245 1098 I C 2.373 178.546 176.117 0.092 0.000 1.097 1098 I CA 1.265 62.610 61.300 0.076 0.000 1.363 1098 I CB -1.361 36.718 38.000 0.131 0.000 1.051 1098 I HN 0.277 nan 8.210 nan 0.000 0.413 1099 L N 0.289 121.568 121.223 0.093 0.000 2.046 1099 L HA -0.233 4.107 4.340 -0.001 0.000 0.208 1099 L C 2.580 179.473 176.870 0.040 0.000 1.077 1099 L CA 1.279 56.175 54.840 0.093 0.000 0.747 1099 L CB -0.651 41.444 42.059 0.061 0.000 0.896 1099 L HN 0.138 nan 8.230 nan 0.000 0.432 1100 K N 0.662 121.074 120.400 0.020 0.000 2.103 1100 K HA -0.165 4.155 4.320 -0.001 0.000 0.207 1100 K C 2.141 178.755 176.600 0.023 0.000 1.048 1100 K CA 1.539 57.831 56.287 0.009 0.000 0.930 1100 K CB -0.073 32.430 32.500 0.005 0.000 0.716 1100 K HN 0.154 nan 8.250 nan 0.000 0.444 1101 R N -0.362 120.164 120.500 0.043 0.000 2.148 1101 R HA 0.061 4.400 4.340 -0.001 0.000 0.223 1101 R C 2.078 178.456 176.300 0.131 0.000 1.088 1101 R CA 1.012 57.156 56.100 0.073 0.000 0.985 1101 R CB -0.139 30.195 30.300 0.056 0.000 0.880 1101 R HN 0.191 nan 8.270 nan 0.000 0.451 1102 L N 0.498 121.776 121.223 0.091 0.000 2.418 1102 L HA -0.021 4.319 4.340 -0.001 0.000 0.218 1102 L C 2.095 179.000 176.870 0.058 0.000 1.125 1102 L CA 0.303 55.214 54.840 0.118 0.000 0.835 1102 L CB -0.157 41.927 42.059 0.041 0.000 0.953 1102 L HN 0.081 nan 8.230 nan 0.000 0.454 1103 E N 0.699 120.884 120.200 -0.024 0.000 2.065 1103 E HA -0.230 4.119 4.350 -0.001 0.000 0.201 1103 E C -0.250 176.236 176.600 -0.190 0.000 1.016 1103 E CA 1.785 58.112 56.400 -0.123 0.000 0.818 1103 E CB -1.424 28.224 29.700 -0.086 0.000 0.749 1103 E HN 0.351 nan 8.360 nan 0.000 0.453 1104 P HA -0.172 nan 4.420 nan 0.000 0.216 1104 P C 1.227 178.200 177.300 -0.545 0.000 1.157 1104 P CA 1.515 64.352 63.100 -0.437 0.000 0.880 1104 P CB -0.274 31.042 31.700 -0.640 0.000 0.791 1105 Y N -0.419 119.799 120.300 -0.136 0.000 2.314 1105 Y HA -0.061 4.488 4.550 -0.001 0.000 0.293 1105 Y C 2.462 178.187 175.900 -0.291 0.000 1.129 1105 Y CA 0.994 59.025 58.100 -0.116 0.000 1.201 1105 Y CB -0.921 37.523 38.460 -0.028 0.000 0.999 1105 Y HN -0.094 nan 8.280 nan 0.000 0.541 1106 K N 0.998 121.095 120.400 -0.505 0.000 2.147 1106 K HA -0.186 4.133 4.320 -0.001 0.000 0.205 1106 K C 1.806 178.137 176.600 -0.447 0.000 1.049 1106 K CA 1.298 56.941 56.287 -1.073 0.000 0.936 1106 K CB -0.015 31.817 32.500 -1.112 0.000 0.722 1106 K HN 0.280 nan 8.250 nan 0.000 0.446 1107 K N 0.567 120.797 120.400 -0.282 0.000 2.005 1107 K HA -0.050 4.269 4.320 -0.001 0.000 0.206 1107 K C 1.922 178.469 176.600 -0.089 0.000 1.044 1107 K CA 1.207 57.398 56.287 -0.161 0.000 0.942 1107 K CB 0.044 32.450 32.500 -0.157 0.000 0.727 1107 K HN 0.040 nan 8.250 nan 0.000 0.439 1108 K N 0.541 120.881 120.400 -0.099 0.000 2.362 1108 K HA -0.155 4.165 4.320 -0.001 0.000 0.202 1108 K C 0.425 177.051 176.600 0.042 0.000 1.045 1108 K CA 0.829 57.094 56.287 -0.036 0.000 0.936 1108 K CB -0.120 32.350 32.500 -0.050 0.000 0.747 1108 K HN 0.045 nan 8.250 nan 0.000 0.467 1109 N N -0.856 117.896 118.700 0.087 0.000 2.824 1109 N HA 0.135 4.875 4.740 -0.001 0.000 0.224 1109 N C -2.638 173.057 175.510 0.308 0.000 1.418 1109 N CA -1.398 51.770 53.050 0.197 0.000 0.743 1109 N CB 1.239 39.889 38.487 0.273 0.000 1.395 1109 N HN -0.288 nan 8.380 nan 0.000 0.548 1110 P HA -0.037 nan 4.420 nan 0.000 0.217 1110 P C 0.878 178.370 177.300 0.319 0.000 1.150 1110 P CA 1.006 64.240 63.100 0.223 0.000 0.832 1110 P CB 0.367 32.134 31.700 0.111 0.000 0.787 1111 S N -0.848 114.986 115.700 0.224 0.000 2.474 1111 S HA 0.042 4.512 4.470 -0.001 0.000 0.235 1111 S C 1.424 176.119 174.600 0.160 0.000 0.997 1111 S CA 0.654 58.954 58.200 0.167 0.000 0.949 1111 S CB -1.129 62.134 63.200 0.105 0.000 0.766 1111 S HN 0.255 nan 8.310 nan 0.000 0.517 1112 G N 1.884 110.839 108.800 0.259 0.000 2.690 1112 G HA2 0.329 4.289 3.960 -0.001 0.000 0.239 1112 G HA3 0.329 4.289 3.960 -0.001 0.000 0.239 1112 G C 0.131 174.784 174.900 -0.410 0.000 1.233 1112 G CA -0.179 44.951 45.100 0.051 0.000 0.847 1112 G HN 0.434 nan 8.290 nan 0.000 0.588 1113 S N 0.361 115.686 115.700 -0.624 0.000 2.713 1113 S HA 0.232 4.701 4.470 -0.001 0.000 0.283 1113 S C 1.111 175.034 174.600 -1.128 0.000 1.161 1113 S CA -0.567 57.212 58.200 -0.701 0.000 0.999 1113 S CB 1.203 64.224 63.200 -0.299 0.000 1.039 1113 S HN 0.814 nan 8.310 nan 0.000 0.548 1114 W N 1.409 122.182 121.300 -0.878 0.000 2.318 1114 W HA -0.209 4.450 4.660 -0.001 0.000 0.313 1114 W C 1.264 177.628 176.519 -0.258 0.000 1.221 1114 W CA 2.332 59.384 57.345 -0.488 0.000 1.266 1114 W CB -0.561 28.801 29.460 -0.164 0.000 1.150 1114 W HN 0.837 nan 8.180 nan 0.000 0.496 1115 E N 0.938 121.063 120.200 -0.124 0.000 2.085 1115 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 1115 E C 1.647 178.121 176.600 -0.211 0.000 0.994 1115 E CA 2.092 58.397 56.400 -0.158 0.000 0.801 1115 E CB -0.856 28.817 29.700 -0.046 0.000 0.743 1115 E HN 0.217 nan 8.360 nan 0.000 0.453 1116 D N -0.441 119.809 120.400 -0.251 0.000 2.106 1116 D HA -0.181 4.459 4.640 -0.001 0.000 0.191 1116 D C 1.755 178.024 176.300 -0.052 0.000 0.997 1116 D CA 1.019 54.916 54.000 -0.171 0.000 0.834 1116 D CB -0.340 40.327 40.800 -0.221 0.000 0.956 1116 D HN 0.298 nan 8.370 nan 0.000 0.448 1117 W N 1.053 122.300 121.300 -0.088 0.000 2.363 1117 W HA -0.067 4.592 4.660 -0.001 0.000 0.296 1117 W C 2.403 178.746 176.519 -0.294 0.000 1.212 1117 W CA 0.072 57.346 57.345 -0.118 0.000 1.260 1117 W CB -1.409 28.002 29.460 -0.081 0.000 1.131 1117 W HN -0.119 nan 8.180 nan 0.000 0.530 1118 V N 0.978 120.753 119.914 -0.233 0.000 2.295 1118 V HA -0.313 3.807 4.120 -0.001 0.000 0.246 1118 V C 2.689 178.673 176.094 -0.183 0.000 1.049 1118 V CA 2.942 65.035 62.300 -0.345 0.000 1.024 1118 V CB -1.436 30.077 31.823 -0.517 0.000 0.648 1118 V HN 0.337 nan 8.190 nan 0.000 0.447 1119 T N -1.111 113.375 114.554 -0.113 0.000 2.867 1119 T HA -0.078 4.271 4.350 -0.001 0.000 0.268 1119 T C 1.858 176.549 174.700 -0.016 0.000 1.057 1119 T CA 1.515 63.610 62.100 -0.009 0.000 1.136 1119 T CB -0.287 68.584 68.868 0.005 0.000 0.874 1119 T HN 0.434 nan 8.240 nan 0.000 0.466 1120 A N 1.632 124.411 122.820 -0.069 0.000 1.898 1120 A HA 0.377 4.696 4.320 -0.001 0.000 0.216 1120 A C 2.837 180.158 177.584 -0.438 0.000 1.181 1120 A CA 1.803 53.783 52.037 -0.095 0.000 0.620 1120 A CB -1.397 17.657 19.000 0.091 0.000 0.819 1120 A HN 0.800 nan 8.150 nan 0.000 0.442 1121 A N -1.563 120.830 122.820 -0.712 0.000 1.930 1121 A HA -0.083 4.237 4.320 -0.001 0.000 0.217 1121 A C 2.142 179.502 177.584 -0.374 0.000 1.175 1121 A CA 1.661 53.120 52.037 -0.963 0.000 0.627 1121 A CB -0.725 17.881 19.000 -0.657 0.000 0.815 1121 A HN 0.744 nan 8.150 nan 0.000 0.443 1122 Y N -0.027 120.099 120.300 -0.290 0.000 2.220 1122 Y HA -0.099 4.450 4.550 -0.001 0.000 0.291 1122 Y C 2.174 178.004 175.900 -0.116 0.000 1.129 1122 Y CA 1.714 59.715 58.100 -0.165 0.000 1.161 1122 Y CB -0.193 38.192 38.460 -0.124 0.000 0.997 1122 Y HN 0.194 nan 8.280 nan 0.000 0.522 1123 M N -0.248 119.191 119.600 -0.269 0.000 2.374 1123 M HA -0.122 4.357 4.480 -0.001 0.000 0.264 1123 M C 0.649 176.818 176.300 -0.219 0.000 1.067 1123 M CA 1.390 56.523 55.300 -0.279 0.000 1.103 1123 M CB -0.749 31.798 32.600 -0.089 0.000 1.402 1123 M HN 0.294 nan 8.290 nan 0.000 0.444 1124 D N 0.933 121.227 120.400 -0.177 0.000 2.491 1124 D HA 0.039 4.678 4.640 -0.001 0.000 0.228 1124 D C -0.248 176.001 176.300 -0.085 0.000 1.183 1124 D CA 0.246 54.208 54.000 -0.063 0.000 0.827 1124 D CB -0.109 40.762 40.800 0.118 0.000 0.989 1124 D HN 0.348 nan 8.370 nan 0.000 0.494 1125 T N -1.907 112.535 114.554 -0.187 0.000 3.219 1125 T HA -0.205 4.144 4.350 -0.001 0.000 0.433 1125 T C -0.024 174.637 174.700 -0.066 0.000 0.771 1125 T CA 0.090 62.100 62.100 -0.150 0.000 2.178 1125 T CB -2.317 66.486 68.868 -0.109 0.000 1.666 1125 T HN -0.003 nan 8.240 nan 0.000 0.607 1126 V N 2.041 121.915 119.914 -0.066 0.000 2.444 1126 V HA 0.604 4.724 4.120 -0.001 0.000 0.294 1126 V C 0.786 176.878 176.094 -0.004 0.000 1.022 1126 V CA -0.468 61.819 62.300 -0.022 0.000 0.850 1126 V CB 1.924 33.727 31.823 -0.034 0.000 0.992 1126 V HN 0.908 nan 8.190 nan 0.000 0.426 1127 S N 5.225 120.933 115.700 0.013 0.000 2.575 1127 S HA 0.151 4.620 4.470 -0.001 0.000 0.295 1127 S C 0.402 175.010 174.600 0.014 0.000 1.267 1127 S CA 0.012 58.225 58.200 0.022 0.000 1.074 1127 S CB -0.069 63.145 63.200 0.023 0.000 0.829 1127 S HN 0.593 nan 8.310 nan 0.000 0.497 1128 L N 4.567 125.795 121.223 0.008 0.000 2.984 1128 L HA 0.330 4.669 4.340 -0.001 0.000 0.246 1128 L C 0.445 177.318 176.870 0.006 0.000 1.268 1128 L CA -0.225 54.606 54.840 -0.015 0.000 1.054 1128 L CB 0.296 42.322 42.059 -0.056 0.000 1.393 1128 L HN 0.565 nan 8.230 nan 0.000 0.532 1129 S N 0.495 116.221 115.700 0.044 0.000 2.571 1129 S HA 0.865 5.334 4.470 -0.001 0.000 0.284 1129 S C -0.903 173.745 174.600 0.080 0.000 1.128 1129 S CA -0.326 57.945 58.200 0.119 0.000 0.970 1129 S CB 1.685 64.991 63.200 0.176 0.000 1.039 1129 S HN 0.206 nan 8.310 nan 0.000 0.485 1130 A N 2.787 125.642 122.820 0.057 0.000 2.549 1130 A HA 0.815 5.134 4.320 -0.001 0.000 0.297 1130 A C -0.095 177.500 177.584 0.019 0.000 1.061 1130 A CA -0.650 51.409 52.037 0.038 0.000 0.690 1130 A CB 1.321 20.341 19.000 0.033 0.000 1.287 1130 A HN 0.980 nan 8.150 nan 0.000 0.402 1131 T N -0.760 113.814 114.554 0.034 0.000 2.912 1131 T HA 0.798 5.148 4.350 -0.001 0.000 0.280 1131 T C 0.303 175.047 174.700 0.072 0.000 0.989 1131 T CA -0.136 61.990 62.100 0.044 0.000 0.995 1131 T CB 1.745 70.644 68.868 0.052 0.000 1.077 1131 T HN 1.752 nan 8.240 nan 0.000 0.531 1132 G N -0.029 108.835 108.800 0.107 0.000 2.662 1132 G HA2 0.622 4.582 3.960 -0.001 0.000 0.302 1132 G HA3 0.622 4.582 3.960 -0.001 0.000 0.302 1132 G C -2.067 172.981 174.900 0.246 0.000 1.389 1132 G CA -0.768 44.418 45.100 0.143 0.000 0.998 1132 G HN 0.719 nan 8.290 nan 0.000 0.502 1133 F N 1.995 121.995 119.950 0.083 0.000 2.591 1133 F HA 0.773 5.300 4.527 -0.001 0.000 0.309 1133 F C -1.697 174.201 175.800 0.165 0.000 1.098 1133 F CA -1.137 56.920 58.000 0.096 0.000 0.937 1133 F CB 2.306 41.337 39.000 0.051 0.000 1.250 1133 F HN 0.611 nan 8.300 nan 0.000 0.447 1134 Y N 4.403 124.231 120.300 -0.787 0.000 2.581 1134 Y HA 0.731 5.281 4.550 -0.001 0.000 0.337 1134 Y C -1.851 173.598 175.900 -0.751 0.000 1.108 1134 Y CA -1.029 56.754 58.100 -0.527 0.000 1.033 1134 Y CB 1.470 39.777 38.460 -0.256 0.000 1.318 1134 Y HN 0.695 nan 8.280 nan 0.000 0.459 1135 R N 1.217 120.842 120.500 -1.459 0.000 2.535 1135 R HA 0.482 4.821 4.340 -0.001 0.000 0.274 1135 R C -1.676 173.965 176.300 -1.099 0.000 1.090 1135 R CA -0.745 54.750 56.100 -1.009 0.000 0.930 1135 R CB 0.655 30.674 30.300 -0.469 0.000 1.223 1135 R HN 0.523 nan 8.270 nan 0.000 0.441 1136 T N 5.331 119.450 114.554 -0.725 0.000 2.908 1136 T HA 0.221 4.570 4.350 -0.001 0.000 0.301 1136 T C -1.889 172.594 174.700 -0.361 0.000 1.019 1136 T CA -0.199 61.588 62.100 -0.521 0.000 1.152 1136 T CB 0.293 68.923 68.868 -0.395 0.000 0.966 1136 T HN 0.550 nan 8.240 nan 0.000 0.540 1137 P HA 0.343 nan 4.420 nan 0.000 0.287 1137 P C -0.353 176.925 177.300 -0.036 0.000 1.279 1137 P CA -0.678 62.353 63.100 -0.114 0.000 0.867 1137 P CB 0.718 32.391 31.700 -0.046 0.000 1.127 1138 N N -0.825 117.868 118.700 -0.013 0.000 2.747 1138 N HA -0.142 4.598 4.740 -0.001 0.000 0.249 1138 N C -0.492 175.019 175.510 0.003 0.000 1.107 1138 N CA 0.748 53.806 53.050 0.013 0.000 0.707 1138 N CB -1.946 36.572 38.487 0.050 0.000 1.054 1138 N HN 0.484 nan 8.380 nan 0.000 0.555 1139 L N 0.099 121.303 121.223 -0.031 0.000 2.325 1139 L HA 0.706 5.046 4.340 -0.001 0.000 0.279 1139 L C 1.011 177.855 176.870 -0.042 0.000 1.054 1139 L CA -0.345 54.461 54.840 -0.056 0.000 0.804 1139 L CB 1.805 43.808 42.059 -0.094 0.000 1.200 1139 L HN 0.264 nan 8.230 nan 0.000 0.436 1140 G N 1.816 110.587 108.800 -0.047 0.000 2.141 1140 G HA2 0.041 4.000 3.960 -0.001 0.000 0.177 1140 G HA3 0.041 4.000 3.960 -0.001 0.000 0.177 1140 G C -1.869 173.049 174.900 0.031 0.000 1.510 1140 G CA -0.740 44.356 45.100 -0.006 0.000 1.082 1140 G HN 0.366 nan 8.290 nan 0.000 0.622 1141 Y N 2.186 122.432 120.300 -0.092 0.000 2.419 1141 Y HA 0.803 5.353 4.550 -0.001 0.000 0.328 1141 Y C 0.173 176.076 175.900 0.004 0.000 1.162 1141 Y CA -0.734 57.318 58.100 -0.081 0.000 1.174 1141 Y CB 2.419 40.793 38.460 -0.144 0.000 1.228 1141 Y HN 0.667 nan 8.280 nan 0.000 0.473 1142 S N 5.094 120.289 115.700 -0.841 0.000 2.659 1142 S HA 0.332 4.801 4.470 -0.001 0.000 0.312 1142 S C -0.023 174.090 174.600 -0.812 0.000 1.114 1142 S CA -0.601 57.290 58.200 -0.516 0.000 1.063 1142 S CB -0.021 63.006 63.200 -0.288 0.000 0.996 1142 S HN 0.692 nan 8.310 nan 0.000 0.478 1143 F N 2.509 122.244 119.950 -0.359 0.000 2.365 1143 F HA 0.061 4.587 4.527 -0.001 0.000 0.300 1143 F C 2.251 177.990 175.800 -0.101 0.000 1.090 1143 F CA 0.731 58.659 58.000 -0.120 0.000 1.408 1143 F CB 0.195 39.230 39.000 0.058 0.000 1.060 1143 F HN 0.555 nan 8.300 nan 0.000 0.534 1144 E N -0.634 119.588 120.200 0.036 0.000 2.107 1144 E HA -0.106 4.243 4.350 -0.001 0.000 0.191 1144 E C 1.981 178.563 176.600 -0.029 0.000 0.982 1144 E CA 1.754 58.165 56.400 0.018 0.000 0.809 1144 E CB -1.006 28.699 29.700 0.008 0.000 0.756 1144 E HN 0.385 nan 8.360 nan 0.000 0.459 1145 T N -2.168 112.325 114.554 -0.102 0.000 3.174 1145 T HA 0.131 4.480 4.350 -0.001 0.000 0.269 1145 T C 0.415 175.041 174.700 -0.123 0.000 1.017 1145 T CA -0.091 61.954 62.100 -0.092 0.000 0.899 1145 T CB -0.728 68.088 68.868 -0.087 0.000 1.077 1145 T HN 0.187 nan 8.240 nan 0.000 0.552 1146 N N 1.722 120.311 118.700 -0.185 0.000 2.700 1146 N HA -0.227 4.512 4.740 -0.001 0.000 0.265 1146 N C -0.509 174.967 175.510 -0.057 0.000 0.975 1146 N CA 0.499 53.486 53.050 -0.105 0.000 0.800 1146 N CB -0.804 37.724 38.487 0.069 0.000 0.908 1146 N HN 0.825 nan 8.380 nan 0.000 0.551 1147 S N -0.490 115.054 115.700 -0.260 0.000 2.625 1147 S HA 0.883 5.352 4.470 -0.001 0.000 0.271 1147 S C 0.034 174.583 174.600 -0.085 0.000 1.161 1147 S CA -0.194 57.960 58.200 -0.077 0.000 0.820 1147 S CB 2.085 65.242 63.200 -0.072 0.000 1.137 1147 S HN 0.999 nan 8.310 nan 0.000 0.470 1148 G N 1.050 109.874 108.800 0.040 0.000 2.662 1148 G HA2 0.009 3.969 3.960 -0.001 0.000 0.686 1148 G HA3 0.009 3.969 3.960 -0.001 0.000 0.686 1148 G C -1.686 173.295 174.900 0.134 0.000 1.271 1148 G CA -1.049 44.083 45.100 0.054 0.000 0.816 1148 G HN 0.857 nan 8.290 nan 0.000 0.608 1149 N N 1.791 120.519 118.700 0.047 0.000 2.457 1149 N HA 0.424 5.164 4.740 -0.001 0.000 0.250 1149 N C -1.700 173.685 175.510 -0.208 0.000 0.982 1149 N CA -1.306 51.733 53.050 -0.017 0.000 0.941 1149 N CB 2.089 40.582 38.487 0.009 0.000 1.120 1149 N HN 0.153 nan 8.380 nan 0.000 0.505 1150 P HA 0.017 nan 4.420 nan 0.000 0.214 1150 P C -0.244 176.429 177.300 -1.045 0.000 1.162 1150 P CA 1.170 63.624 63.100 -1.077 0.000 0.874 1150 P CB 0.236 30.537 31.700 -2.331 0.000 0.784 1151 F N -3.014 116.663 119.950 -0.456 0.000 2.408 1151 F HA 0.348 4.874 4.527 -0.001 0.000 0.325 1151 F C 1.910 177.505 175.800 -0.342 0.000 1.082 1151 F CA -0.544 57.154 58.000 -0.505 0.000 1.032 1151 F CB -0.194 38.288 39.000 -0.863 0.000 1.259 1151 F HN -0.104 nan 8.300 nan 0.000 0.503 1152 H N -0.148 118.769 119.070 -0.254 0.000 2.497 1152 H HA 0.125 4.680 4.556 -0.001 0.000 0.282 1152 H C -1.074 174.250 175.328 -0.006 0.000 1.003 1152 H CA 0.892 56.870 56.048 -0.116 0.000 1.307 1152 H CB 0.173 29.905 29.762 -0.048 0.000 1.437 1152 H HN 0.508 nan 8.280 nan 0.000 0.544 1153 Y N -3.981 116.168 120.300 -0.252 0.000 2.774 1153 Y HA 0.406 4.955 4.550 -0.001 0.000 0.346 1153 Y C -2.059 173.597 175.900 -0.407 0.000 1.222 1153 Y CA -2.217 55.749 58.100 -0.223 0.000 1.088 1153 Y CB 0.138 38.512 38.460 -0.143 0.000 1.354 1153 Y HN -0.201 nan 8.280 nan 0.000 0.455 1154 F N 0.740 120.743 119.950 0.088 0.000 2.556 1154 F HA 0.744 5.271 4.527 -0.001 0.000 0.327 1154 F C 0.410 176.003 175.800 -0.345 0.000 1.059 1154 F CA -1.062 56.790 58.000 -0.246 0.000 0.953 1154 F CB 2.183 40.940 39.000 -0.405 0.000 1.227 1154 F HN 0.588 nan 8.300 nan 0.000 0.478 1155 S N 0.743 116.324 115.700 -0.198 0.000 2.525 1155 S HA 0.682 5.152 4.470 -0.001 0.000 0.290 1155 S C -1.500 172.858 174.600 -0.403 0.000 1.152 1155 S CA -0.280 57.826 58.200 -0.156 0.000 1.072 1155 S CB 0.269 63.482 63.200 0.021 0.000 1.027 1155 S HN 0.396 nan 8.310 nan 0.000 0.500 1156 Y N 1.105 121.491 120.300 0.143 0.000 2.536 1156 Y HA 0.758 5.307 4.550 -0.001 0.000 0.347 1156 Y C 0.728 176.676 175.900 0.079 0.000 1.000 1156 Y CA -0.608 57.542 58.100 0.083 0.000 1.051 1156 Y CB 2.449 40.887 38.460 -0.036 0.000 1.259 1156 Y HN 0.912 nan 8.280 nan 0.000 0.468 1157 G N 0.261 109.221 108.800 0.267 0.000 2.632 1157 G HA2 0.581 4.541 3.960 -0.001 0.000 0.292 1157 G HA3 0.581 4.541 3.960 -0.001 0.000 0.292 1157 G C -2.413 172.618 174.900 0.218 0.000 1.465 1157 G CA -0.705 44.515 45.100 0.199 0.000 0.824 1157 G HN 0.491 nan 8.290 nan 0.000 0.509 1158 V N -0.186 119.832 119.914 0.175 0.000 2.841 1158 V HA 0.904 5.023 4.120 -0.001 0.000 0.310 1158 V C -0.084 176.065 176.094 0.092 0.000 1.090 1158 V CA -0.277 62.130 62.300 0.178 0.000 0.930 1158 V CB 1.758 33.694 31.823 0.187 0.000 1.014 1158 V HN 1.716 nan 8.190 nan 0.000 0.425 1159 A N 2.457 125.326 122.820 0.082 0.000 2.455 1159 A HA 0.775 5.095 4.320 -0.001 0.000 0.300 1159 A C -1.052 176.547 177.584 0.025 0.000 1.040 1159 A CA -0.452 51.626 52.037 0.069 0.000 0.697 1159 A CB 1.733 20.848 19.000 0.192 0.000 1.265 1159 A HN 1.102 nan 8.150 nan 0.000 0.407 1160 C N 1.865 121.171 119.300 0.009 0.000 2.345 1160 C HA 0.865 5.324 4.460 -0.001 0.000 0.323 1160 C C -0.120 174.921 174.990 0.085 0.000 1.276 1160 C CA -0.046 58.982 59.018 0.018 0.000 1.543 1160 C CB 0.170 27.901 27.740 -0.015 0.000 2.211 1160 C HN 0.846 nan 8.230 nan 0.000 0.493 1161 S N 3.702 119.473 115.700 0.118 0.000 2.536 1161 S HA 0.557 5.026 4.470 -0.001 0.000 0.287 1161 S C -1.282 173.376 174.600 0.098 0.000 1.101 1161 S CA -0.449 57.828 58.200 0.129 0.000 0.950 1161 S CB 1.665 64.984 63.200 0.198 0.000 1.056 1161 S HN 0.878 nan 8.310 nan 0.000 0.481 1162 E N 1.968 122.210 120.200 0.069 0.000 2.222 1162 E HA 0.662 5.011 4.350 -0.001 0.000 0.267 1162 E C -1.064 175.555 176.600 0.031 0.000 0.884 1162 E CA -0.775 55.644 56.400 0.032 0.000 0.764 1162 E CB 1.387 31.085 29.700 -0.004 0.000 1.169 1162 E HN 0.508 nan 8.360 nan 0.000 0.413 1163 V N 0.501 120.427 119.914 0.019 0.000 3.126 1163 V HA 0.686 4.805 4.120 -0.001 0.000 0.314 1163 V C -0.881 175.211 176.094 -0.004 0.000 1.138 1163 V CA -0.819 61.510 62.300 0.049 0.000 1.034 1163 V CB 1.898 33.775 31.823 0.090 0.000 1.075 1163 V HN 0.809 nan 8.190 nan 0.000 0.442 1164 E N 1.599 121.822 120.200 0.038 0.000 2.265 1164 E HA 0.565 4.914 4.350 -0.001 0.000 0.262 1164 E C -1.163 175.512 176.600 0.126 0.000 0.889 1164 E CA -0.769 55.632 56.400 0.002 0.000 0.789 1164 E CB 1.988 31.626 29.700 -0.104 0.000 1.221 1164 E HN 0.942 nan 8.360 nan 0.000 0.414 1165 I N 0.509 121.161 120.570 0.138 0.000 2.676 1165 I HA 0.554 4.723 4.170 -0.001 0.000 0.309 1165 I C -0.325 175.916 176.117 0.207 0.000 0.990 1165 I CA -0.773 60.635 61.300 0.180 0.000 1.168 1165 I CB 1.718 39.788 38.000 0.115 0.000 1.343 1165 I HN 0.350 nan 8.210 nan 0.000 0.482 1166 D N 4.142 124.668 120.400 0.211 0.000 2.443 1166 D HA 0.257 4.897 4.640 -0.001 0.000 0.221 1166 D C 0.627 177.062 176.300 0.224 0.000 1.097 1166 D CA -0.445 53.692 54.000 0.228 0.000 0.865 1166 D CB 1.444 42.368 40.800 0.208 0.000 1.034 1166 D HN 0.755 nan 8.370 nan 0.000 0.511 1167 C N 3.234 122.705 119.300 0.284 0.000 2.419 1167 C HA -0.060 4.400 4.460 -0.001 0.000 0.283 1167 C C 2.544 177.700 174.990 0.277 0.000 1.373 1167 C CA 0.118 59.324 59.018 0.314 0.000 1.781 1167 C CB -0.852 27.181 27.740 0.488 0.000 1.886 1167 C HN 0.660 nan 8.230 nan 0.000 0.520 1168 L N 0.811 122.162 121.223 0.212 0.000 2.375 1168 L HA -0.001 4.338 4.340 -0.001 0.000 0.215 1168 L C 2.597 179.460 176.870 -0.011 0.000 1.108 1168 L CA 1.694 56.552 54.840 0.030 0.000 0.830 1168 L CB -0.408 41.607 42.059 -0.073 0.000 0.959 1168 L HN 0.558 nan 8.230 nan 0.000 0.457 1169 T N -5.934 108.673 114.554 0.088 0.000 2.989 1169 T HA 0.318 4.667 4.350 -0.001 0.000 0.250 1169 T C 1.426 176.254 174.700 0.214 0.000 0.981 1169 T CA 0.643 62.804 62.100 0.101 0.000 0.980 1169 T CB 1.101 70.064 68.868 0.157 0.000 1.133 1169 T HN 0.249 nan 8.240 nan 0.000 0.489 1170 G N 1.366 110.275 108.800 0.181 0.000 2.201 1170 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.212 1170 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.212 1170 G C -0.212 174.777 174.900 0.148 0.000 0.994 1170 G CA 0.077 45.266 45.100 0.148 0.000 0.644 1170 G HN 0.823 nan 8.290 nan 0.000 0.508 1171 D N 1.204 121.695 120.400 0.152 0.000 2.360 1171 D HA 0.539 5.179 4.640 -0.001 0.000 0.242 1171 D C 0.544 176.966 176.300 0.203 0.000 1.184 1171 D CA 0.636 54.708 54.000 0.120 0.000 0.930 1171 D CB 0.301 41.129 40.800 0.047 0.000 1.161 1171 D HN 0.632 nan 8.370 nan 0.000 0.447 1172 H N -1.595 117.509 119.070 0.056 0.000 3.037 1172 H HA 0.362 4.918 4.556 -0.001 0.000 0.336 1172 H C -1.534 173.851 175.328 0.094 0.000 1.323 1172 H CA -1.002 55.089 56.048 0.073 0.000 1.159 1172 H CB 0.706 30.487 29.762 0.033 0.000 1.882 1172 H HN 0.477 nan 8.280 nan 0.000 0.535 1173 K N 1.733 122.143 120.400 0.017 0.000 2.316 1173 K HA 0.411 4.730 4.320 -0.001 0.000 0.251 1173 K C -1.051 175.585 176.600 0.060 0.000 0.934 1173 K CA -1.033 55.244 56.287 -0.017 0.000 0.802 1173 K CB 1.951 34.525 32.500 0.123 0.000 1.171 1173 K HN 0.382 nan 8.250 nan 0.000 0.426 1174 N N 3.739 122.457 118.700 0.030 0.000 2.482 1174 N HA 0.101 4.841 4.740 -0.001 0.000 0.242 1174 N C 0.768 176.299 175.510 0.035 0.000 1.100 1174 N CA -0.080 53.015 53.050 0.074 0.000 0.946 1174 N CB 0.694 39.217 38.487 0.059 0.000 1.227 1174 N HN 0.606 nan 8.380 nan 0.000 0.508 1175 L N 0.964 122.206 121.223 0.031 0.000 2.017 1175 L HA -0.026 4.313 4.340 -0.001 0.000 0.208 1175 L C 1.154 178.033 176.870 0.015 0.000 1.073 1175 L CA 1.188 56.032 54.840 0.006 0.000 0.745 1175 L CB -0.019 42.022 42.059 -0.030 0.000 0.894 1175 L HN 0.433 nan 8.230 nan 0.000 0.432 1176 R N -1.310 119.205 120.500 0.026 0.000 2.629 1176 R HA 0.385 4.724 4.340 -0.001 0.000 0.266 1176 R C -1.683 174.652 176.300 0.058 0.000 1.051 1176 R CA -0.357 55.767 56.100 0.041 0.000 0.895 1176 R CB 2.090 32.413 30.300 0.037 0.000 1.246 1176 R HN -0.214 nan 8.270 nan 0.000 0.459 1177 T N 2.066 116.667 114.554 0.079 0.000 2.916 1177 T HA 0.397 4.746 4.350 -0.001 0.000 0.298 1177 T C -1.764 172.988 174.700 0.085 0.000 1.031 1177 T CA -0.742 61.406 62.100 0.080 0.000 0.993 1177 T CB 1.454 70.329 68.868 0.012 0.000 1.045 1177 T HN 0.466 nan 8.240 nan 0.000 0.454 1178 D N 2.961 123.380 120.400 0.031 0.000 2.549 1178 D HA 0.441 5.080 4.640 -0.001 0.000 0.251 1178 D C -0.584 175.696 176.300 -0.034 0.000 1.153 1178 D CA -0.261 53.737 54.000 -0.002 0.000 0.861 1178 D CB 2.036 42.836 40.800 0.000 0.000 1.207 1178 D HN 0.363 nan 8.370 nan 0.000 0.543 1179 I N 1.300 121.827 120.570 -0.071 0.000 2.493 1179 I HA 0.387 4.557 4.170 -0.001 0.000 0.298 1179 I C -0.305 175.789 176.117 -0.038 0.000 0.998 1179 I CA -1.048 60.217 61.300 -0.058 0.000 1.137 1179 I CB 2.466 40.397 38.000 -0.114 0.000 1.310 1179 I HN -0.044 nan 8.210 nan 0.000 0.445 1180 V N 6.162 126.076 119.914 -0.001 0.000 2.419 1180 V HA 0.391 4.510 4.120 -0.001 0.000 0.287 1180 V C -0.473 175.646 176.094 0.042 0.000 1.017 1180 V CA -0.383 61.923 62.300 0.010 0.000 0.844 1180 V CB 1.587 33.416 31.823 0.010 0.000 1.011 1180 V HN 0.622 nan 8.190 nan 0.000 0.429 1181 M N 4.016 123.637 119.600 0.036 0.000 2.364 1181 M HA 0.558 5.037 4.480 -0.001 0.000 0.334 1181 M C -0.812 175.524 176.300 0.060 0.000 1.107 1181 M CA -0.425 54.910 55.300 0.058 0.000 0.988 1181 M CB 1.680 34.304 32.600 0.039 0.000 1.673 1181 M HN 0.648 nan 8.290 nan 0.000 0.441 1182 D N 3.135 123.590 120.400 0.090 0.000 2.412 1182 D HA 0.394 5.033 4.640 -0.001 0.000 0.224 1182 D C -0.173 176.173 176.300 0.077 0.000 1.093 1182 D CA -0.402 53.653 54.000 0.092 0.000 0.850 1182 D CB 0.766 41.656 40.800 0.149 0.000 1.046 1182 D HN 0.407 nan 8.370 nan 0.000 0.507 1183 V N 2.052 121.994 119.914 0.046 0.000 2.988 1183 V HA 0.628 4.747 4.120 -0.001 0.000 0.356 1183 V C 1.139 177.238 176.094 0.007 0.000 1.380 1183 V CA 0.155 62.472 62.300 0.028 0.000 1.184 1183 V CB -0.325 31.504 31.823 0.010 0.000 1.204 1183 V HN 0.711 nan 8.190 nan 0.000 0.530 1184 G N 1.511 110.315 108.800 0.006 0.000 2.578 1184 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.284 1184 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.284 1184 G C 0.126 175.021 174.900 -0.008 0.000 1.283 1184 G CA 0.139 45.227 45.100 -0.020 0.000 0.944 1184 G HN 1.002 nan 8.290 nan 0.000 0.558 1185 S N 0.464 116.154 115.700 -0.016 0.000 2.701 1185 S HA 0.464 4.934 4.470 -0.001 0.000 0.317 1185 S C 0.696 175.296 174.600 -0.000 0.000 1.149 1185 S CA 0.675 58.874 58.200 -0.001 0.000 1.052 1185 S CB 0.805 64.005 63.200 -0.001 0.000 1.257 1185 S HN 1.256 nan 8.310 nan 0.000 0.532 1186 S N 3.349 119.050 115.700 0.002 0.000 2.626 1186 S HA 0.037 4.507 4.470 -0.001 0.000 0.303 1186 S C 1.309 175.899 174.600 -0.017 0.000 1.256 1186 S CA -0.393 57.800 58.200 -0.011 0.000 1.069 1186 S CB 0.004 63.192 63.200 -0.020 0.000 0.807 1186 S HN 0.647 nan 8.310 nan 0.000 0.500 1187 L N 3.694 124.906 121.223 -0.019 0.000 2.217 1187 L HA 0.103 4.443 4.340 -0.001 0.000 0.211 1187 L C 1.248 178.092 176.870 -0.045 0.000 1.107 1187 L CA 0.565 55.395 54.840 -0.017 0.000 0.783 1187 L CB -0.203 41.855 42.059 -0.001 0.000 0.919 1187 L HN 0.657 nan 8.230 nan 0.000 0.442 1188 N N -0.911 117.748 118.700 -0.069 0.000 2.932 1188 N HA 0.080 4.819 4.740 -0.001 0.000 0.242 1188 N C -2.268 173.137 175.510 -0.175 0.000 1.351 1188 N CA -0.887 52.098 53.050 -0.109 0.000 0.785 1188 N CB 1.295 39.723 38.487 -0.098 0.000 1.501 1188 N HN -0.245 nan 8.380 nan 0.000 0.584 1189 P HA -0.125 nan 4.420 nan 0.000 0.220 1189 P C 1.055 178.062 177.300 -0.489 0.000 1.144 1189 P CA 0.951 63.831 63.100 -0.366 0.000 0.800 1189 P CB 0.440 31.826 31.700 -0.522 0.000 0.772 1190 A N 0.406 122.918 122.820 -0.514 0.000 1.872 1190 A HA -0.117 4.203 4.320 -0.001 0.000 0.214 1190 A C 2.277 179.615 177.584 -0.410 0.000 1.187 1190 A CA 1.312 52.974 52.037 -0.624 0.000 0.614 1190 A CB -1.215 17.236 19.000 -0.915 0.000 0.826 1190 A HN 0.016 nan 8.150 nan 0.000 0.442 1191 I N 0.778 121.187 120.570 -0.269 0.000 2.226 1191 I HA -0.191 3.978 4.170 -0.001 0.000 0.245 1191 I C 1.709 177.756 176.117 -0.117 0.000 1.100 1191 I CA 1.576 62.792 61.300 -0.141 0.000 1.374 1191 I CB -1.647 36.296 38.000 -0.094 0.000 1.057 1191 I HN 0.274 nan 8.210 nan 0.000 0.413 1192 D N 0.907 121.227 120.400 -0.134 0.000 2.117 1192 D HA -0.098 4.542 4.640 -0.001 0.000 0.198 1192 D C 2.363 178.603 176.300 -0.101 0.000 0.982 1192 D CA 1.027 54.968 54.000 -0.099 0.000 0.828 1192 D CB -0.136 40.610 40.800 -0.090 0.000 0.967 1192 D HN 0.316 nan 8.370 nan 0.000 0.464 1193 I N 0.783 121.263 120.570 -0.149 0.000 2.493 1193 I HA -0.119 4.050 4.170 -0.001 0.000 0.254 1193 I C 2.310 178.360 176.117 -0.111 0.000 1.160 1193 I CA 1.007 62.223 61.300 -0.140 0.000 1.445 1193 I CB -0.229 37.663 38.000 -0.179 0.000 1.086 1193 I HN 0.012 nan 8.210 nan 0.000 0.433 1194 G N -0.320 108.421 108.800 -0.098 0.000 2.484 1194 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.218 1194 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.218 1194 G C 1.578 176.473 174.900 -0.009 0.000 1.130 1194 G CA 0.122 45.195 45.100 -0.044 0.000 0.784 1194 G HN 0.261 nan 8.290 nan 0.000 0.543 1195 Q N 0.152 119.942 119.800 -0.017 0.000 2.163 1195 Q HA 0.053 4.392 4.340 -0.001 0.000 0.198 1195 Q C 2.930 178.948 176.000 0.031 0.000 0.954 1195 Q CA 0.579 56.390 55.803 0.013 0.000 0.851 1195 Q CB -0.408 28.326 28.738 -0.008 0.000 0.928 1195 Q HN 0.392 nan 8.270 nan 0.000 0.459 1196 V N 1.726 121.644 119.914 0.006 0.000 2.295 1196 V HA -0.255 3.864 4.120 -0.001 0.000 0.246 1196 V C 2.123 178.270 176.094 0.088 0.000 1.049 1196 V CA 1.971 64.289 62.300 0.031 0.000 1.024 1196 V CB -0.517 31.287 31.823 -0.032 0.000 0.648 1196 V HN 0.382 nan 8.190 nan 0.000 0.447 1197 E N 0.378 120.591 120.200 0.022 0.000 2.051 1197 E HA -0.149 4.201 4.350 -0.001 0.000 0.192 1197 E C 2.341 179.077 176.600 0.227 0.000 0.991 1197 E CA 1.288 57.757 56.400 0.115 0.000 0.799 1197 E CB -0.547 29.160 29.700 0.012 0.000 0.748 1197 E HN 0.640 nan 8.360 nan 0.000 0.449 1198 G N 1.302 110.177 108.800 0.125 0.000 2.421 1198 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.216 1198 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.216 1198 G C 1.719 176.688 174.900 0.115 0.000 1.171 1198 G CA 0.944 46.105 45.100 0.102 0.000 0.775 1198 G HN 0.347 nan 8.290 nan 0.000 0.543 1199 A N 0.344 123.243 122.820 0.130 0.000 1.873 1199 A HA 0.087 4.406 4.320 -0.001 0.000 0.215 1199 A C 2.198 179.851 177.584 0.115 0.000 1.186 1199 A CA 1.531 53.631 52.037 0.105 0.000 0.616 1199 A CB -0.610 18.442 19.000 0.086 0.000 0.823 1199 A HN 0.404 nan 8.150 nan 0.000 0.442 1200 F N 0.655 120.644 119.950 0.063 0.000 2.161 1200 F HA -0.170 4.356 4.527 -0.001 0.000 0.300 1200 F C 2.113 177.951 175.800 0.063 0.000 1.089 1200 F CA 1.957 60.012 58.000 0.092 0.000 1.282 1200 F CB -0.036 39.078 39.000 0.190 0.000 1.010 1200 F HN 0.034 nan 8.300 nan 0.000 0.485 1201 V N 0.130 120.206 119.914 0.270 0.000 2.667 1201 V HA -0.255 3.864 4.120 -0.001 0.000 0.252 1201 V C 2.172 178.225 176.094 -0.068 0.000 1.065 1201 V CA 1.867 64.238 62.300 0.118 0.000 1.083 1201 V CB -0.606 31.305 31.823 0.146 0.000 0.692 1201 V HN 0.405 nan 8.190 nan 0.000 0.468 1202 Q N 0.025 119.769 119.800 -0.094 0.000 2.083 1202 Q HA -0.093 4.247 4.340 -0.001 0.000 0.198 1202 Q C 2.413 178.233 176.000 -0.300 0.000 0.969 1202 Q CA 1.526 57.227 55.803 -0.169 0.000 0.838 1202 Q CB -0.455 28.211 28.738 -0.120 0.000 0.900 1202 Q HN 0.702 nan 8.270 nan 0.000 0.436 1203 G N 1.313 109.906 108.800 -0.346 0.000 2.422 1203 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.218 1203 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.218 1203 G C 1.385 175.911 174.900 -0.623 0.000 1.146 1203 G CA 0.596 45.339 45.100 -0.594 0.000 0.769 1203 G HN 0.257 nan 8.290 nan 0.000 0.547 1204 L N 1.735 122.698 121.223 -0.433 0.000 2.079 1204 L HA 0.101 4.440 4.340 -0.001 0.000 0.210 1204 L C 2.635 179.396 176.870 -0.182 0.000 1.081 1204 L CA 2.335 57.017 54.840 -0.264 0.000 0.752 1204 L CB -1.003 40.950 42.059 -0.177 0.000 0.896 1204 L HN 0.153 nan 8.230 nan 0.000 0.433 1205 G N -0.824 107.839 108.800 -0.229 0.000 2.408 1205 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.215 1205 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.215 1205 G C 1.552 176.297 174.900 -0.259 0.000 1.156 1205 G CA 0.674 45.647 45.100 -0.211 0.000 0.793 1205 G HN 0.433 nan 8.290 nan 0.000 0.535 1206 L N -0.467 120.504 121.223 -0.421 0.000 2.131 1206 L HA 0.143 4.482 4.340 -0.001 0.000 0.210 1206 L C 1.862 178.528 176.870 -0.340 0.000 1.092 1206 L CA 1.631 56.167 54.840 -0.507 0.000 0.759 1206 L CB -0.319 41.231 42.059 -0.848 0.000 0.903 1206 L HN 0.159 nan 8.230 nan 0.000 0.435 1207 F N -1.350 118.522 119.950 -0.129 0.000 2.749 1207 F HA 0.216 4.743 4.527 -0.001 0.000 0.300 1207 F C 1.930 177.765 175.800 0.058 0.000 1.103 1207 F CA 0.649 58.619 58.000 -0.050 0.000 1.342 1207 F CB -0.782 38.178 39.000 -0.066 0.000 1.098 1207 F HN 0.291 nan 8.300 nan 0.000 0.586 1208 T N -5.241 109.394 114.554 0.135 0.000 3.028 1208 T HA 0.237 4.587 4.350 -0.001 0.000 0.262 1208 T C 1.018 175.743 174.700 0.042 0.000 0.916 1208 T CA 0.233 62.392 62.100 0.097 0.000 0.873 1208 T CB -0.117 68.824 68.868 0.121 0.000 1.232 1208 T HN 0.009 nan 8.240 nan 0.000 0.529 1209 L N 0.489 121.694 121.223 -0.030 0.000 2.806 1209 L HA 0.521 4.861 4.340 -0.001 0.000 0.242 1209 L C 0.252 177.016 176.870 -0.176 0.000 1.068 1209 L CA 0.283 55.071 54.840 -0.087 0.000 0.923 1209 L CB 0.196 42.185 42.059 -0.117 0.000 1.364 1209 L HN 0.223 nan 8.230 nan 0.000 0.511 1210 E N 1.473 121.537 120.200 -0.226 0.000 2.180 1210 E HA 0.325 4.675 4.350 -0.001 0.000 0.283 1210 E C -0.314 176.230 176.600 -0.093 0.000 1.061 1210 E CA 0.066 56.263 56.400 -0.339 0.000 0.861 1210 E CB 0.905 30.398 29.700 -0.345 0.000 1.056 1210 E HN 0.090 nan 8.360 nan 0.000 0.407 1211 E N 3.834 124.010 120.200 -0.041 0.000 2.321 1211 E HA 0.333 4.682 4.350 -0.001 0.000 0.278 1211 E C -1.590 174.992 176.600 -0.030 0.000 0.902 1211 E CA -0.589 55.812 56.400 0.001 0.000 0.758 1211 E CB 1.187 30.857 29.700 -0.050 0.000 1.213 1211 E HN 0.351 nan 8.360 nan 0.000 0.426 1212 L N 3.764 124.945 121.223 -0.069 0.000 2.322 1212 L HA 0.521 4.860 4.340 -0.001 0.000 0.281 1212 L C -0.773 175.936 176.870 -0.269 0.000 1.014 1212 L CA -0.759 53.991 54.840 -0.150 0.000 0.815 1212 L CB 1.571 43.610 42.059 -0.033 0.000 1.247 1212 L HN 0.609 nan 8.230 nan 0.000 0.421 1213 H N 1.888 120.945 119.070 -0.023 0.000 2.469 1213 H HA 0.548 5.104 4.556 -0.001 0.000 0.342 1213 H C -1.392 173.793 175.328 -0.239 0.000 1.115 1213 H CA -0.474 55.589 56.048 0.025 0.000 1.204 1213 H CB 1.573 31.428 29.762 0.155 0.000 1.492 1213 H HN 0.329 nan 8.280 nan 0.000 0.499 1214 Y N 0.366 120.705 120.300 0.065 0.000 2.485 1214 Y HA 0.285 4.834 4.550 -0.001 0.000 0.345 1214 Y C 0.368 176.135 175.900 -0.220 0.000 0.998 1214 Y CA -1.107 56.899 58.100 -0.157 0.000 1.059 1214 Y CB 1.812 40.211 38.460 -0.103 0.000 1.234 1214 Y HN 0.665 nan 8.280 nan 0.000 0.461 1215 S N 1.415 116.930 115.700 -0.308 0.000 2.608 1215 S HA 0.223 4.693 4.470 -0.001 0.000 0.261 1215 S C -2.108 172.450 174.600 -0.069 0.000 1.314 1215 S CA -0.970 57.119 58.200 -0.185 0.000 0.992 1215 S CB 1.209 64.249 63.200 -0.266 0.000 0.935 1215 S HN 0.453 nan 8.310 nan 0.000 0.564 1216 P HA -0.141 nan 4.420 nan 0.000 0.216 1216 P C 0.977 178.257 177.300 -0.033 0.000 1.150 1216 P CA 1.241 64.327 63.100 -0.024 0.000 0.843 1216 P CB -0.080 31.614 31.700 -0.010 0.000 0.787 1217 E N -0.898 119.277 120.200 -0.041 0.000 2.416 1217 E HA 0.106 4.455 4.350 -0.001 0.000 0.189 1217 E C 1.267 177.840 176.600 -0.045 0.000 1.091 1217 E CA 0.700 57.075 56.400 -0.041 0.000 0.889 1217 E CB -1.231 28.445 29.700 -0.041 0.000 1.015 1217 E HN 0.270 nan 8.360 nan 0.000 0.479 1218 G N 0.871 109.645 108.800 -0.042 0.000 2.159 1218 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.256 1218 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.256 1218 G C 0.218 175.136 174.900 0.030 0.000 0.977 1218 G CA 0.460 45.546 45.100 -0.023 0.000 0.652 1218 G HN 0.428 nan 8.290 nan 0.000 0.531 1219 S N -0.041 115.631 115.700 -0.047 0.000 2.475 1219 S HA 0.602 5.071 4.470 -0.001 0.000 0.281 1219 S C 0.412 174.881 174.600 -0.218 0.000 1.198 1219 S CA -0.568 57.575 58.200 -0.095 0.000 1.063 1219 S CB 0.797 63.903 63.200 -0.157 0.000 0.972 1219 S HN 1.254 nan 8.310 nan 0.000 0.486 1220 L N 6.777 127.921 121.223 -0.133 0.000 2.455 1220 L HA 0.273 4.613 4.340 -0.001 0.000 0.272 1220 L C 1.019 177.669 176.870 -0.367 0.000 1.174 1220 L CA 0.781 55.362 54.840 -0.431 0.000 0.869 1220 L CB 0.239 42.105 42.059 -0.321 0.000 1.130 1220 L HN 0.803 nan 8.230 nan 0.000 0.474 1221 H N 1.911 120.817 119.070 -0.272 0.000 2.418 1221 H HA 0.121 4.677 4.556 -0.001 0.000 0.300 1221 H C 0.079 175.411 175.328 0.006 0.000 1.041 1221 H CA 0.956 56.949 56.048 -0.091 0.000 1.364 1221 H CB -0.007 29.689 29.762 -0.111 0.000 1.439 1221 H HN 0.607 nan 8.280 nan 0.000 0.540 1222 T N 3.176 117.781 114.554 0.084 0.000 2.840 1222 T HA 0.203 4.552 4.350 -0.001 0.000 0.276 1222 T C 1.052 175.768 174.700 0.027 0.000 0.912 1222 T CA 0.032 62.191 62.100 0.098 0.000 1.116 1222 T CB 0.235 69.152 68.868 0.082 0.000 0.895 1222 T HN 0.290 nan 8.240 nan 0.000 0.570 1223 R N 1.555 122.102 120.500 0.078 0.000 2.600 1223 R HA 0.400 4.739 4.340 -0.001 0.000 0.392 1223 R C 0.773 177.136 176.300 0.105 0.000 1.032 1223 R CA -0.526 55.615 56.100 0.069 0.000 1.139 1223 R CB 1.311 31.660 30.300 0.082 0.000 1.400 1223 R HN 0.661 nan 8.270 nan 0.000 0.566 1224 G N 0.478 109.365 108.800 0.144 0.000 2.660 1224 G HA2 0.229 4.189 3.960 -0.001 0.000 0.290 1224 G HA3 0.229 4.189 3.960 -0.001 0.000 0.290 1224 G C -2.567 172.504 174.900 0.286 0.000 1.432 1224 G CA -0.908 44.299 45.100 0.178 0.000 0.807 1224 G HN -0.299 nan 8.290 nan 0.000 0.485 1225 P HA -0.093 nan 4.420 nan 0.000 0.228 1225 P C 1.759 179.136 177.300 0.128 0.000 1.151 1225 P CA 1.631 64.894 63.100 0.271 0.000 0.770 1225 P CB 0.258 32.144 31.700 0.310 0.000 0.786 1226 S N 0.021 115.781 115.700 0.100 0.000 2.368 1226 S HA -0.112 4.357 4.470 -0.001 0.000 0.224 1226 S C 1.990 176.626 174.600 0.061 0.000 1.029 1226 S CA 1.957 60.187 58.200 0.049 0.000 0.988 1226 S CB -1.852 61.350 63.200 0.004 0.000 0.838 1226 S HN 0.341 nan 8.310 nan 0.000 0.462 1227 T N -3.213 111.405 114.554 0.107 0.000 3.040 1227 T HA 0.210 4.559 4.350 -0.001 0.000 0.252 1227 T C 0.264 175.077 174.700 0.188 0.000 1.064 1227 T CA -0.185 62.003 62.100 0.147 0.000 1.110 1227 T CB -0.513 68.468 68.868 0.189 0.000 0.921 1227 T HN 0.359 nan 8.240 nan 0.000 0.480 1228 Y N 3.321 123.656 120.300 0.058 0.000 2.404 1228 Y HA 0.483 5.032 4.550 -0.001 0.000 0.344 1228 Y C -0.683 175.189 175.900 -0.047 0.000 0.970 1228 Y CA -1.798 56.318 58.100 0.026 0.000 1.180 1228 Y CB 0.637 39.149 38.460 0.087 0.000 1.138 1228 Y HN -0.113 nan 8.280 nan 0.000 0.510 1229 K N 8.974 129.122 120.400 -0.421 0.000 2.299 1229 K HA 0.291 4.610 4.320 -0.001 0.000 0.268 1229 K C -0.171 176.142 176.600 -0.478 0.000 1.075 1229 K CA -0.331 55.745 56.287 -0.352 0.000 0.936 1229 K CB 0.439 32.822 32.500 -0.195 0.000 1.228 1229 K HN 0.791 nan 8.250 nan 0.000 0.454 1230 I N -0.635 119.655 120.570 -0.466 0.000 3.021 1230 I HA 0.410 4.580 4.170 -0.001 0.000 0.303 1230 I C -2.166 173.836 176.117 -0.192 0.000 1.044 1230 I CA -2.729 58.347 61.300 -0.372 0.000 1.266 1230 I CB 0.196 37.968 38.000 -0.380 0.000 1.447 1230 I HN 0.138 nan 8.210 nan 0.000 0.593 1231 P HA 0.136 nan 4.420 nan 0.000 0.265 1231 P C -0.756 176.596 177.300 0.087 0.000 1.193 1231 P CA 0.150 63.248 63.100 -0.003 0.000 0.765 1231 P CB 0.771 32.498 31.700 0.046 0.000 0.823 1232 A N 2.520 125.302 122.820 -0.063 0.000 2.326 1232 A HA 0.475 4.794 4.320 -0.001 0.000 0.303 1232 A C 0.759 177.875 177.584 -0.780 0.000 1.164 1232 A CA -0.401 51.478 52.037 -0.264 0.000 0.929 1232 A CB -0.214 18.739 19.000 -0.078 0.000 1.363 1232 A HN 0.416 nan 8.150 nan 0.000 0.498 1233 F N 0.237 119.578 119.950 -1.015 0.000 2.126 1233 F HA -0.060 4.467 4.527 -0.001 0.000 0.299 1233 F C 2.481 178.121 175.800 -0.267 0.000 1.096 1233 F CA 2.388 59.890 58.000 -0.830 0.000 1.255 1233 F CB -0.348 38.472 39.000 -0.301 0.000 0.997 1233 F HN 0.594 nan 8.300 nan 0.000 0.479 1234 G N -1.909 106.928 108.800 0.061 0.000 3.124 1234 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.212 1234 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.212 1234 G C 1.286 176.204 174.900 0.030 0.000 1.181 1234 G CA 0.519 45.677 45.100 0.098 0.000 0.803 1234 G HN 0.298 nan 8.290 nan 0.000 0.529 1235 S N -0.053 115.626 115.700 -0.035 0.000 2.517 1235 S HA 0.204 4.674 4.470 -0.001 0.000 0.214 1235 S C 1.138 175.723 174.600 -0.024 0.000 0.991 1235 S CA -0.465 57.706 58.200 -0.048 0.000 0.906 1235 S CB 0.026 63.191 63.200 -0.058 0.000 0.789 1235 S HN 0.608 nan 8.310 nan 0.000 0.513 1236 I N 0.728 121.293 120.570 -0.008 0.000 2.945 1236 I HA 0.384 4.553 4.170 -0.001 0.000 0.292 1236 I C -2.609 173.428 176.117 -0.134 0.000 1.093 1236 I CA -2.486 58.767 61.300 -0.079 0.000 1.336 1236 I CB 0.061 38.033 38.000 -0.046 0.000 1.435 1236 I HN -0.174 nan 8.210 nan 0.000 0.593 1237 P HA 0.053 nan 4.420 nan 0.000 0.267 1237 P C 0.862 178.102 177.300 -0.101 0.000 1.209 1237 P CA -0.143 62.826 63.100 -0.219 0.000 0.763 1237 P CB 0.837 32.330 31.700 -0.345 0.000 0.816 1238 I N 1.897 122.468 120.570 0.002 0.000 2.091 1238 I HA -0.179 3.990 4.170 -0.001 0.000 0.239 1238 I C 1.145 177.315 176.117 0.089 0.000 1.061 1238 I CA 1.675 63.011 61.300 0.059 0.000 1.317 1238 I CB -1.353 36.678 38.000 0.052 0.000 1.031 1238 I HN 0.445 nan 8.210 nan 0.000 0.401 1239 E N 0.905 121.153 120.200 0.080 0.000 2.081 1239 E HA 0.182 4.532 4.350 -0.001 0.000 0.281 1239 E C -1.097 175.616 176.600 0.189 0.000 0.986 1239 E CA -0.338 56.132 56.400 0.116 0.000 0.796 1239 E CB 1.046 30.794 29.700 0.079 0.000 1.085 1239 E HN -0.030 nan 8.360 nan 0.000 0.398 1240 F N 4.024 123.986 119.950 0.019 0.000 2.366 1240 F HA 0.346 4.873 4.527 -0.001 0.000 0.366 1240 F C -0.410 175.376 175.800 -0.022 0.000 1.096 1240 F CA -1.250 56.741 58.000 -0.016 0.000 1.060 1240 F CB 0.610 39.615 39.000 0.008 0.000 1.282 1240 F HN 0.250 nan 8.300 nan 0.000 0.450 1241 R N 4.455 125.017 120.500 0.104 0.000 2.288 1241 R HA 0.622 4.961 4.340 -0.001 0.000 0.326 1241 R C -1.326 174.885 176.300 -0.149 0.000 0.959 1241 R CA -0.672 55.406 56.100 -0.037 0.000 0.834 1241 R CB 2.142 32.446 30.300 0.007 0.000 1.157 1241 R HN 0.284 nan 8.270 nan 0.000 0.470 1242 V N 2.488 122.276 119.914 -0.211 0.000 2.448 1242 V HA 0.446 4.566 4.120 -0.001 0.000 0.295 1242 V C -0.389 175.648 176.094 -0.094 0.000 1.025 1242 V CA -0.617 61.554 62.300 -0.214 0.000 0.859 1242 V CB 1.797 33.414 31.823 -0.342 0.000 0.988 1242 V HN 0.900 nan 8.190 nan 0.000 0.431 1243 S N 5.505 121.172 115.700 -0.056 0.000 2.571 1243 S HA 0.741 5.210 4.470 -0.001 0.000 0.284 1243 S C -1.096 173.510 174.600 0.010 0.000 1.128 1243 S CA -0.797 57.400 58.200 -0.005 0.000 0.970 1243 S CB 1.401 64.597 63.200 -0.006 0.000 1.039 1243 S HN 0.488 nan 8.310 nan 0.000 0.485 1244 L N 3.288 124.538 121.223 0.045 0.000 2.290 1244 L HA 0.419 4.759 4.340 -0.001 0.000 0.284 1244 L C 0.071 176.966 176.870 0.043 0.000 1.078 1244 L CA -1.056 53.812 54.840 0.047 0.000 0.815 1244 L CB 0.941 43.044 42.059 0.074 0.000 1.162 1244 L HN 0.665 nan 8.230 nan 0.000 0.435 1245 L N 4.748 125.990 121.223 0.033 0.000 2.578 1245 L HA 0.022 4.361 4.340 -0.001 0.000 0.279 1245 L C 0.471 177.354 176.870 0.022 0.000 1.227 1245 L CA 0.804 55.658 54.840 0.025 0.000 0.900 1245 L CB 0.076 42.151 42.059 0.028 0.000 1.144 1245 L HN 0.511 nan 8.230 nan 0.000 0.496 1246 R N 3.773 124.279 120.500 0.010 0.000 2.528 1246 R HA 0.233 4.573 4.340 -0.001 0.000 0.271 1246 R C -0.434 175.866 176.300 0.001 0.000 1.056 1246 R CA -0.703 55.399 56.100 0.004 0.000 1.117 1246 R CB 0.416 30.711 30.300 -0.010 0.000 1.085 1246 R HN 0.717 nan 8.270 nan 0.000 0.530 1247 D N 0.843 121.242 120.400 -0.001 0.000 3.003 1247 D HA -0.153 4.486 4.640 -0.001 0.000 0.223 1247 D C -0.351 175.948 176.300 -0.002 0.000 1.204 1247 D CA 0.990 54.988 54.000 -0.003 0.000 0.828 1247 D CB -0.811 39.985 40.800 -0.006 0.000 0.918 1247 D HN 0.751 nan 8.370 nan 0.000 0.401 1248 C N -0.795 118.505 119.300 -0.000 0.000 3.104 1248 C HA 0.316 4.775 4.460 -0.001 0.000 0.206 1248 C C -2.426 172.559 174.990 -0.009 0.000 1.429 1248 C CA -1.592 57.426 59.018 0.000 0.000 1.105 1248 C CB 0.502 28.248 27.740 0.011 0.000 1.904 1248 C HN 0.187 nan 8.230 nan 0.000 0.626 1249 P HA 0.129 nan 4.420 nan 0.000 0.268 1249 P C -0.564 176.701 177.300 -0.058 0.000 1.204 1249 P CA 0.704 63.785 63.100 -0.032 0.000 0.768 1249 P CB 0.815 32.502 31.700 -0.022 0.000 0.842 1250 N N 2.766 121.405 118.700 -0.103 0.000 2.485 1250 N HA 0.060 4.799 4.740 -0.001 0.000 0.243 1250 N C 1.131 176.533 175.510 -0.181 0.000 0.987 1250 N CA -0.581 52.360 53.050 -0.183 0.000 0.940 1250 N CB 0.628 38.915 38.487 -0.333 0.000 1.122 1250 N HN 0.280 nan 8.380 nan 0.000 0.509 1251 K N 2.071 122.392 120.400 -0.133 0.000 2.555 1251 K HA 0.044 4.364 4.320 -0.001 0.000 0.193 1251 K C 0.367 176.900 176.600 -0.112 0.000 1.032 1251 K CA 0.692 56.919 56.287 -0.101 0.000 1.004 1251 K CB 0.200 32.665 32.500 -0.058 0.000 0.804 1251 K HN 0.196 nan 8.250 nan 0.000 0.496 1252 K N 0.560 120.844 120.400 -0.193 0.000 2.404 1252 K HA 0.228 4.548 4.320 -0.001 0.000 0.194 1252 K C 0.132 176.731 176.600 -0.001 0.000 1.023 1252 K CA 0.237 56.439 56.287 -0.140 0.000 1.094 1252 K CB 0.995 33.279 32.500 -0.360 0.000 0.841 1252 K HN 0.323 nan 8.250 nan 0.000 0.523 1253 A N 0.698 123.429 122.820 -0.147 0.000 2.566 1253 A HA 0.474 4.794 4.320 -0.001 0.000 0.292 1253 A C -0.789 176.675 177.584 -0.200 0.000 1.112 1253 A CA -0.903 51.068 52.037 -0.110 0.000 0.707 1253 A CB 0.919 19.859 19.000 -0.101 0.000 1.302 1253 A HN 0.123 nan 8.150 nan 0.000 0.409 1254 I N 0.999 121.406 120.570 -0.272 0.000 2.996 1254 I HA 0.080 4.250 4.170 -0.001 0.000 0.310 1254 I C -0.228 175.729 176.117 -0.266 0.000 1.225 1254 I CA 1.143 62.186 61.300 -0.428 0.000 1.442 1254 I CB -0.866 36.877 38.000 -0.428 0.000 1.334 1254 I HN 0.623 nan 8.210 nan 0.000 0.550 1255 Y N 5.451 125.630 120.300 -0.201 0.000 3.054 1255 Y HA -0.225 4.324 4.550 -0.001 0.000 0.210 1255 Y C 1.401 177.232 175.900 -0.115 0.000 1.212 1255 Y CA 0.799 58.815 58.100 -0.141 0.000 1.118 1255 Y CB -2.268 36.128 38.460 -0.107 0.000 1.292 1255 Y HN 0.966 nan 8.280 nan 0.000 0.533 1256 A N -1.286 121.522 122.820 -0.021 0.000 2.774 1256 A HA -0.224 4.095 4.320 -0.001 0.000 0.290 1256 A C 1.168 178.711 177.584 -0.068 0.000 1.484 1256 A CA 1.258 53.259 52.037 -0.059 0.000 0.863 1256 A CB -1.773 17.210 19.000 -0.028 0.000 0.989 1256 A HN 1.416 nan 8.150 nan 0.000 0.554 1257 S N -1.400 114.262 115.700 -0.063 0.000 2.671 1257 S HA 0.784 5.253 4.470 -0.001 0.000 0.272 1257 S C -0.055 174.476 174.600 -0.114 0.000 1.174 1257 S CA -0.146 58.021 58.200 -0.056 0.000 1.004 1257 S CB 1.512 64.702 63.200 -0.018 0.000 1.077 1257 S HN 0.568 nan 8.310 nan 0.000 0.553 1258 K N -0.636 119.732 120.400 -0.052 0.000 2.502 1258 K HA 0.635 4.954 4.320 -0.001 0.000 0.257 1258 K C -0.718 175.943 176.600 0.101 0.000 0.938 1258 K CA -0.809 55.479 56.287 0.002 0.000 0.819 1258 K CB 2.230 34.737 32.500 0.012 0.000 1.333 1258 K HN 0.863 nan 8.250 nan 0.000 0.434 1259 A N 1.078 124.032 122.820 0.223 0.000 2.466 1259 A HA 0.193 4.512 4.320 -0.001 0.000 0.238 1259 A C 0.513 178.112 177.584 0.026 0.000 1.074 1259 A CA 0.050 52.139 52.037 0.086 0.000 0.774 1259 A CB 0.703 19.728 19.000 0.043 0.000 1.015 1259 A HN 0.531 nan 8.150 nan 0.000 0.498 1260 V N 1.454 121.350 119.914 -0.031 0.000 3.309 1260 V HA 0.227 4.346 4.120 -0.001 0.000 0.268 1260 V C 1.696 177.740 176.094 -0.084 0.000 1.631 1260 V CA 1.398 63.669 62.300 -0.049 0.000 1.018 1260 V CB -0.341 31.464 31.823 -0.030 0.000 0.841 1260 V HN 1.190 nan 8.190 nan 0.000 0.418 1261 G N 0.559 109.303 108.800 -0.092 0.000 2.513 1261 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.219 1261 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.219 1261 G C 1.176 176.005 174.900 -0.118 0.000 1.160 1261 G CA 1.713 46.763 45.100 -0.084 0.000 0.767 1261 G HN 0.634 nan 8.290 nan 0.000 0.571 1262 E N 0.120 120.152 120.200 -0.279 0.000 2.244 1262 E HA 0.042 4.391 4.350 -0.001 0.000 0.196 1262 E C -0.256 175.993 176.600 -0.585 0.000 0.939 1262 E CA -0.116 56.031 56.400 -0.422 0.000 0.884 1262 E CB -0.027 29.310 29.700 -0.605 0.000 0.850 1262 E HN 0.259 nan 8.360 nan 0.000 0.481 1263 P HA -0.189 nan 4.420 nan 0.000 0.219 1263 P C -1.639 175.621 177.300 -0.067 0.000 1.158 1263 P CA 2.111 64.955 63.100 -0.426 0.000 0.895 1263 P CB -0.924 30.655 31.700 -0.202 0.000 0.792 1264 P HA -0.158 nan 4.420 nan 0.000 0.216 1264 P C 1.672 179.071 177.300 0.164 0.000 1.150 1264 P CA 0.953 64.121 63.100 0.113 0.000 0.837 1264 P CB -0.490 31.272 31.700 0.104 0.000 0.786 1265 L N -1.590 119.682 121.223 0.083 0.000 2.021 1265 L HA -0.240 4.099 4.340 -0.001 0.000 0.215 1265 L C 2.283 179.209 176.870 0.094 0.000 1.074 1265 L CA 1.809 56.678 54.840 0.048 0.000 0.760 1265 L CB -0.804 41.257 42.059 0.004 0.000 0.889 1265 L HN -0.097 nan 8.230 nan 0.000 0.433 1266 F N 0.024 120.028 119.950 0.090 0.000 2.171 1266 F HA -0.218 4.309 4.527 -0.001 0.000 0.300 1266 F C 2.014 177.954 175.800 0.233 0.000 1.090 1266 F CA 1.456 59.579 58.000 0.205 0.000 1.293 1266 F CB -0.402 38.709 39.000 0.185 0.000 1.013 1266 F HN 0.003 nan 8.300 nan 0.000 0.486 1267 L N 0.169 121.418 121.223 0.043 0.000 2.357 1267 L HA -0.263 4.076 4.340 -0.001 0.000 0.220 1267 L C 2.511 179.386 176.870 0.008 0.000 1.123 1267 L CA 0.951 55.819 54.840 0.046 0.000 0.782 1267 L CB -1.178 41.069 42.059 0.314 0.000 0.910 1267 L HN 0.288 nan 8.230 nan 0.000 0.442 1268 A N -0.195 122.472 122.820 -0.255 0.000 2.216 1268 A HA 0.023 4.342 4.320 -0.001 0.000 0.214 1268 A C 2.457 179.971 177.584 -0.118 0.000 1.160 1268 A CA 1.136 52.817 52.037 -0.593 0.000 0.725 1268 A CB -0.402 18.117 19.000 -0.802 0.000 0.784 1268 A HN 0.403 nan 8.150 nan 0.000 0.472 1269 A N 0.575 123.234 122.820 -0.269 0.000 2.019 1269 A HA -0.078 4.241 4.320 -0.001 0.000 0.219 1269 A C 2.437 180.010 177.584 -0.019 0.000 1.164 1269 A CA 1.909 53.678 52.037 -0.447 0.000 0.644 1269 A CB -0.861 17.577 19.000 -0.938 0.000 0.805 1269 A HN 0.976 nan 8.150 nan 0.000 0.449 1270 S N 0.285 116.003 115.700 0.030 0.000 2.383 1270 S HA -0.174 4.296 4.470 -0.001 0.000 0.229 1270 S C 1.833 176.523 174.600 0.151 0.000 1.030 1270 S CA 1.531 59.818 58.200 0.144 0.000 1.002 1270 S CB -0.738 62.561 63.200 0.164 0.000 0.829 1270 S HN 0.521 nan 8.310 nan 0.000 0.467 1271 I N 0.302 120.948 120.570 0.127 0.000 2.233 1271 I HA -0.053 4.116 4.170 -0.001 0.000 0.243 1271 I C 2.358 178.471 176.117 -0.007 0.000 1.093 1271 I CA 1.482 62.837 61.300 0.091 0.000 1.380 1271 I CB -0.486 37.583 38.000 0.115 0.000 1.067 1271 I HN 0.258 nan 8.210 nan 0.000 0.413 1272 F N 1.734 121.563 119.950 -0.202 0.000 2.087 1272 F HA -0.321 4.205 4.527 -0.001 0.000 0.299 1272 F C 2.044 177.571 175.800 -0.455 0.000 1.100 1272 F CA 1.960 59.713 58.000 -0.411 0.000 1.226 1272 F CB -0.382 38.163 39.000 -0.758 0.000 0.983 1272 F HN -0.091 nan 8.300 nan 0.000 0.479 1273 F N -0.001 119.940 119.950 -0.016 0.000 2.456 1273 F HA 0.134 4.661 4.527 -0.001 0.000 0.298 1273 F C 2.390 178.135 175.800 -0.093 0.000 1.104 1273 F CA 0.729 58.686 58.000 -0.072 0.000 1.435 1273 F CB -1.153 37.861 39.000 0.023 0.000 1.078 1273 F HN 0.058 nan 8.300 nan 0.000 0.546 1274 A N -0.006 122.854 122.820 0.068 0.000 2.014 1274 A HA -0.056 4.264 4.320 -0.001 0.000 0.218 1274 A C 2.212 179.771 177.584 -0.041 0.000 1.163 1274 A CA 1.112 53.173 52.037 0.041 0.000 0.652 1274 A CB -0.803 18.227 19.000 0.051 0.000 0.808 1274 A HN 0.386 nan 8.150 nan 0.000 0.449 1275 I N -0.775 119.700 120.570 -0.159 0.000 2.277 1275 I HA -0.192 3.977 4.170 -0.001 0.000 0.243 1275 I C 2.482 178.500 176.117 -0.165 0.000 1.094 1275 I CA 1.578 62.742 61.300 -0.227 0.000 1.393 1275 I CB -0.197 37.551 38.000 -0.420 0.000 1.078 1275 I HN 0.343 nan 8.210 nan 0.000 0.417 1276 K N 0.962 121.227 120.400 -0.225 0.000 2.152 1276 K HA -0.280 4.039 4.320 -0.001 0.000 0.206 1276 K C 1.684 178.359 176.600 0.125 0.000 1.048 1276 K CA 2.104 58.363 56.287 -0.047 0.000 0.933 1276 K CB -0.095 32.309 32.500 -0.160 0.000 0.721 1276 K HN 0.185 nan 8.250 nan 0.000 0.447 1277 D N -0.166 120.273 120.400 0.066 0.000 2.084 1277 D HA -0.129 4.511 4.640 -0.001 0.000 0.194 1277 D C 1.722 178.062 176.300 0.067 0.000 0.990 1277 D CA 1.654 55.704 54.000 0.084 0.000 0.826 1277 D CB -0.069 40.770 40.800 0.066 0.000 0.971 1277 D HN 0.335 nan 8.370 nan 0.000 0.453 1278 A N 0.163 123.001 122.820 0.031 0.000 1.877 1278 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 1278 A C 2.409 180.000 177.584 0.012 0.000 1.186 1278 A CA 1.242 53.292 52.037 0.023 0.000 0.620 1278 A CB -0.871 18.136 19.000 0.012 0.000 0.822 1278 A HN 0.377 nan 8.150 nan 0.000 0.443 1279 I N -1.012 119.567 120.570 0.015 0.000 2.264 1279 I HA -0.283 3.886 4.170 -0.001 0.000 0.248 1279 I C 2.706 178.757 176.117 -0.111 0.000 1.111 1279 I CA 1.678 62.956 61.300 -0.037 0.000 1.382 1279 I CB -0.364 37.640 38.000 0.007 0.000 1.060 1279 I HN 0.372 nan 8.210 nan 0.000 0.418 1280 R N 1.166 121.693 120.500 0.045 0.000 2.073 1280 R HA -0.193 4.147 4.340 -0.001 0.000 0.234 1280 R C 2.431 178.701 176.300 -0.050 0.000 1.134 1280 R CA 1.706 57.836 56.100 0.050 0.000 0.952 1280 R CB -0.277 30.159 30.300 0.227 0.000 0.850 1280 R HN 0.367 nan 8.270 nan 0.000 0.433 1281 A N 0.465 123.265 122.820 -0.033 0.000 1.940 1281 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 1281 A C 2.271 179.751 177.584 -0.173 0.000 1.176 1281 A CA 1.758 53.757 52.037 -0.064 0.000 0.631 1281 A CB -0.632 18.358 19.000 -0.017 0.000 0.814 1281 A HN 0.553 nan 8.150 nan 0.000 0.446 1282 A N -0.168 122.524 122.820 -0.214 0.000 1.854 1282 A HA -0.097 4.223 4.320 -0.001 0.000 0.214 1282 A C 2.217 179.494 177.584 -0.513 0.000 1.192 1282 A CA 1.377 53.160 52.037 -0.423 0.000 0.611 1282 A CB -0.475 18.392 19.000 -0.221 0.000 0.832 1282 A HN 0.523 nan 8.150 nan 0.000 0.442 1283 R N -0.283 120.025 120.500 -0.321 0.000 2.096 1283 R HA -0.159 4.180 4.340 -0.001 0.000 0.240 1283 R C 2.486 178.664 176.300 -0.203 0.000 1.139 1283 R CA 1.418 57.360 56.100 -0.264 0.000 0.952 1283 R CB -0.620 29.473 30.300 -0.344 0.000 0.854 1283 R HN 0.514 nan 8.270 nan 0.000 0.436 1284 A N 1.018 123.732 122.820 -0.176 0.000 1.892 1284 A HA -0.316 4.004 4.320 -0.001 0.000 0.218 1284 A C 2.142 179.657 177.584 -0.115 0.000 1.188 1284 A CA 1.898 53.869 52.037 -0.109 0.000 0.631 1284 A CB -0.651 18.305 19.000 -0.074 0.000 0.822 1284 A HN 0.471 nan 8.150 nan 0.000 0.447 1285 Q N -1.135 118.546 119.800 -0.197 0.000 2.123 1285 Q HA -0.152 4.187 4.340 -0.001 0.000 0.199 1285 Q C 1.276 177.265 176.000 -0.018 0.000 0.966 1285 Q CA 1.471 57.189 55.803 -0.142 0.000 0.845 1285 Q CB -0.163 28.454 28.738 -0.201 0.000 0.907 1285 Q HN 0.909 nan 8.270 nan 0.000 0.439 1286 H N -0.710 118.295 119.070 -0.107 0.000 2.524 1286 H HA 0.234 4.789 4.556 -0.001 0.000 0.280 1286 H C -0.294 175.000 175.328 -0.057 0.000 1.018 1286 H CA -0.069 55.924 56.048 -0.091 0.000 1.165 1286 H CB 0.548 30.266 29.762 -0.073 0.000 1.411 1286 H HN 0.104 nan 8.280 nan 0.000 0.569 1287 T N -1.395 113.179 114.554 0.033 0.000 2.637 1287 T HA 0.253 4.603 4.350 -0.001 0.000 0.303 1287 T C 0.369 175.066 174.700 -0.005 0.000 1.288 1287 T CA -0.576 61.529 62.100 0.008 0.000 1.040 1287 T CB 0.610 69.474 68.868 -0.006 0.000 1.644 1287 T HN 0.217 nan 8.240 nan 0.000 0.480 1288 G N 2.020 110.817 108.800 -0.005 0.000 2.272 1288 G HA2 0.150 4.109 3.960 -0.001 0.000 0.274 1288 G HA3 0.150 4.109 3.960 -0.001 0.000 0.274 1288 G C 0.100 174.998 174.900 -0.003 0.000 1.136 1288 G CA -0.139 44.960 45.100 -0.002 0.000 1.098 1288 G HN 0.521 nan 8.290 nan 0.000 0.425 1289 N N 1.949 120.647 118.700 -0.004 0.000 2.396 1289 N HA -0.065 4.674 4.740 -0.001 0.000 0.287 1289 N C 0.004 175.520 175.510 0.010 0.000 1.316 1289 N CA 0.358 53.407 53.050 -0.003 0.000 0.972 1289 N CB 0.449 38.934 38.487 -0.003 0.000 1.341 1289 N HN 0.482 nan 8.380 nan 0.000 0.487 1290 N N 2.872 121.583 118.700 0.018 0.000 3.012 1290 N HA 0.037 4.777 4.740 -0.001 0.000 0.270 1290 N C 1.061 176.600 175.510 0.048 0.000 1.469 1290 N CA -0.394 52.677 53.050 0.034 0.000 0.928 1290 N CB 0.234 38.745 38.487 0.040 0.000 1.219 1290 N HN 0.118 nan 8.380 nan 0.000 0.492 1291 V N 2.267 122.206 119.914 0.041 0.000 2.357 1291 V HA -0.248 3.872 4.120 -0.001 0.000 0.257 1291 V C 1.215 177.349 176.094 0.068 0.000 1.082 1291 V CA 1.938 64.267 62.300 0.049 0.000 1.078 1291 V CB -0.101 31.746 31.823 0.040 0.000 0.663 1291 V HN 0.549 nan 8.190 nan 0.000 0.455 1292 K N 0.306 120.748 120.400 0.069 0.000 2.577 1292 K HA 0.166 4.485 4.320 -0.001 0.000 0.210 1292 K C 0.499 177.157 176.600 0.097 0.000 1.048 1292 K CA -0.170 56.166 56.287 0.081 0.000 1.188 1292 K CB 0.172 32.718 32.500 0.076 0.000 0.910 1292 K HN 0.646 nan 8.250 nan 0.000 0.483 1293 E N 1.432 121.699 120.200 0.112 0.000 2.373 1293 E HA 0.105 4.455 4.350 -0.001 0.000 0.263 1293 E C -0.852 175.854 176.600 0.178 0.000 1.073 1293 E CA -0.184 56.300 56.400 0.139 0.000 0.894 1293 E CB 0.674 30.463 29.700 0.148 0.000 1.008 1293 E HN 0.136 nan 8.360 nan 0.000 0.420 1294 L N 5.840 127.164 121.223 0.169 0.000 2.366 1294 L HA 0.338 4.677 4.340 -0.001 0.000 0.266 1294 L C -0.601 176.369 176.870 0.166 0.000 1.010 1294 L CA -0.926 53.992 54.840 0.129 0.000 0.879 1294 L CB 0.169 42.291 42.059 0.105 0.000 1.228 1294 L HN 0.454 nan 8.230 nan 0.000 0.439 1295 F N 0.590 120.584 119.950 0.074 0.000 2.403 1295 F HA 0.684 5.210 4.527 -0.001 0.000 0.326 1295 F C 0.180 176.033 175.800 0.088 0.000 1.081 1295 F CA -1.185 56.854 58.000 0.066 0.000 1.041 1295 F CB 0.702 39.727 39.000 0.042 0.000 1.234 1295 F HN 0.287 nan 8.300 nan 0.000 0.503 1296 R N 2.456 123.063 120.500 0.179 0.000 2.349 1296 R HA 0.665 5.004 4.340 -0.001 0.000 0.299 1296 R C -1.918 174.476 176.300 0.156 0.000 1.027 1296 R CA -0.833 55.330 56.100 0.105 0.000 0.958 1296 R CB 1.185 31.564 30.300 0.132 0.000 1.047 1296 R HN 0.883 nan 8.270 nan 0.000 0.468 1297 L N 4.454 125.733 121.223 0.094 0.000 2.491 1297 L HA 0.399 4.739 4.340 -0.001 0.000 0.267 1297 L C -1.506 175.494 176.870 0.216 0.000 0.971 1297 L CA -0.406 54.506 54.840 0.120 0.000 0.857 1297 L CB 1.709 43.759 42.059 -0.014 0.000 1.226 1297 L HN 0.682 nan 8.230 nan 0.000 0.408 1298 D N 1.867 122.400 120.400 0.222 0.000 2.348 1298 D HA 0.295 4.935 4.640 -0.001 0.000 0.249 1298 D C -0.531 175.956 176.300 0.313 0.000 1.110 1298 D CA -0.110 54.051 54.000 0.269 0.000 0.967 1298 D CB 1.999 42.967 40.800 0.280 0.000 1.139 1298 D HN 0.459 nan 8.370 nan 0.000 0.466 1299 S N 0.458 116.299 115.700 0.236 0.000 2.541 1299 S HA 0.459 4.928 4.470 -0.001 0.000 0.283 1299 S C -2.539 172.176 174.600 0.193 0.000 1.196 1299 S CA -1.426 56.903 58.200 0.215 0.000 1.062 1299 S CB 1.111 64.298 63.200 -0.022 0.000 1.009 1299 S HN 0.191 nan 8.310 nan 0.000 0.502 1300 P HA 0.254 nan 4.420 nan 0.000 0.282 1300 P C -1.268 176.145 177.300 0.189 0.000 1.249 1300 P CA -0.528 62.689 63.100 0.196 0.000 0.806 1300 P CB 0.896 32.656 31.700 0.100 0.000 0.984 1301 A N 2.716 125.660 122.820 0.207 0.000 2.981 1301 A HA 0.317 4.636 4.320 -0.001 0.000 0.280 1301 A C 1.042 178.609 177.584 -0.028 0.000 1.743 1301 A CA -0.128 51.918 52.037 0.014 0.000 1.430 1301 A CB -1.481 17.378 19.000 -0.234 0.000 1.085 1301 A HN 0.612 nan 8.150 nan 0.000 0.597 1302 T N -0.887 113.659 114.554 -0.013 0.000 2.788 1302 T HA 0.361 4.710 4.350 -0.001 0.000 0.287 1302 T C -1.447 173.187 174.700 -0.110 0.000 1.007 1302 T CA -1.321 60.757 62.100 -0.036 0.000 1.005 1302 T CB 0.619 69.471 68.868 -0.026 0.000 1.012 1302 T HN 0.242 nan 8.240 nan 0.000 0.530 1303 P HA -0.125 nan 4.420 nan 0.000 0.219 1303 P C 1.346 178.285 177.300 -0.602 0.000 1.146 1303 P CA 1.157 64.168 63.100 -0.148 0.000 0.808 1303 P CB 0.077 31.804 31.700 0.044 0.000 0.779 1304 E N 1.084 120.718 120.200 -0.943 0.000 2.051 1304 E HA -0.196 4.154 4.350 -0.001 0.000 0.192 1304 E C 1.857 178.050 176.600 -0.679 0.000 0.991 1304 E CA 1.260 56.711 56.400 -1.581 0.000 0.799 1304 E CB -0.169 29.029 29.700 -0.837 0.000 0.748 1304 E HN 0.151 nan 8.360 nan 0.000 0.449 1305 K N 0.261 120.459 120.400 -0.336 0.000 2.057 1305 K HA -0.091 4.229 4.320 -0.001 0.000 0.206 1305 K C 2.344 178.871 176.600 -0.121 0.000 1.050 1305 K CA 1.409 57.606 56.287 -0.151 0.000 0.935 1305 K CB -0.167 32.299 32.500 -0.057 0.000 0.715 1305 K HN 0.282 nan 8.250 nan 0.000 0.439 1306 I N 0.726 121.212 120.570 -0.139 0.000 2.226 1306 I HA -0.256 3.913 4.170 -0.001 0.000 0.245 1306 I C 2.628 178.720 176.117 -0.041 0.000 1.100 1306 I CA 0.990 62.239 61.300 -0.084 0.000 1.374 1306 I CB -0.215 37.739 38.000 -0.077 0.000 1.057 1306 I HN 0.072 nan 8.210 nan 0.000 0.413 1307 R N 1.683 122.150 120.500 -0.054 0.000 2.066 1307 R HA -0.116 4.224 4.340 -0.001 0.000 0.232 1307 R C 1.982 178.317 176.300 0.059 0.000 1.131 1307 R CA 1.665 57.803 56.100 0.064 0.000 0.955 1307 R CB -0.469 29.981 30.300 0.251 0.000 0.851 1307 R HN 0.280 nan 8.270 nan 0.000 0.432 1308 N N 0.317 119.018 118.700 0.002 0.000 2.223 1308 N HA -0.101 4.639 4.740 -0.001 0.000 0.185 1308 N C 1.379 176.895 175.510 0.009 0.000 1.016 1308 N CA 1.420 54.485 53.050 0.025 0.000 0.863 1308 N CB -0.308 38.180 38.487 0.003 0.000 0.983 1308 N HN 0.368 nan 8.380 nan 0.000 0.429 1309 A N 0.182 122.993 122.820 -0.014 0.000 1.968 1309 A HA -0.043 4.276 4.320 -0.001 0.000 0.217 1309 A C 1.278 178.797 177.584 -0.109 0.000 1.169 1309 A CA 0.469 52.472 52.037 -0.056 0.000 0.638 1309 A CB -0.430 18.551 19.000 -0.031 0.000 0.812 1309 A HN 0.357 nan 8.150 nan 0.000 0.446 1310 C N 2.069 121.350 119.300 -0.031 0.000 2.896 1310 C HA 0.386 4.846 4.460 -0.001 0.000 0.499 1310 C C 0.628 175.674 174.990 0.094 0.000 1.022 1310 C CA -1.050 57.982 59.018 0.023 0.000 1.127 1310 C CB -2.410 25.399 27.740 0.115 0.000 1.452 1310 C HN 0.307 nan 8.230 nan 0.000 0.580 1311 V N 4.414 124.346 119.914 0.030 0.000 2.585 1311 V HA 0.292 4.411 4.120 -0.001 0.000 0.296 1311 V C 0.211 176.379 176.094 0.123 0.000 1.035 1311 V CA 0.700 63.034 62.300 0.056 0.000 1.084 1311 V CB 0.602 32.425 31.823 0.001 0.000 0.953 1311 V HN 0.887 nan 8.190 nan 0.000 0.483 1312 D N 2.247 122.711 120.400 0.106 0.000 2.779 1312 D HA 0.219 4.859 4.640 -0.001 0.000 0.331 1312 D C 0.479 176.722 176.300 -0.096 0.000 1.331 1312 D CA -0.612 53.428 54.000 0.067 0.000 0.866 1312 D CB 0.737 41.656 40.800 0.198 0.000 1.409 1312 D HN 0.360 nan 8.370 nan 0.000 0.486 1313 K N -0.542 119.675 120.400 -0.305 0.000 2.362 1313 K HA -0.097 4.223 4.320 -0.001 0.000 0.202 1313 K C 0.957 177.267 176.600 -0.483 0.000 1.045 1313 K CA 1.344 57.361 56.287 -0.450 0.000 0.936 1313 K CB -0.545 31.582 32.500 -0.621 0.000 0.747 1313 K HN 0.232 nan 8.250 nan 0.000 0.467 1314 F N 2.207 122.068 119.950 -0.149 0.000 2.220 1314 F HA -0.041 4.485 4.527 -0.001 0.000 0.290 1314 F C 2.938 178.676 175.800 -0.103 0.000 1.080 1314 F CA 1.282 59.185 58.000 -0.160 0.000 1.318 1314 F CB -1.118 37.749 39.000 -0.222 0.000 1.063 1314 F HN 0.136 nan 8.300 nan 0.000 0.498 1315 T N -3.334 111.292 114.554 0.121 0.000 2.867 1315 T HA -0.142 4.208 4.350 -0.001 0.000 0.268 1315 T C 1.829 176.544 174.700 0.026 0.000 1.057 1315 T CA 1.799 63.938 62.100 0.065 0.000 1.136 1315 T CB -1.081 67.830 68.868 0.071 0.000 0.874 1315 T HN 0.159 nan 8.240 nan 0.000 0.466 1316 T N 1.899 116.452 114.554 -0.001 0.000 3.007 1316 T HA 0.179 4.528 4.350 -0.001 0.000 0.270 1316 T C 1.421 176.109 174.700 -0.019 0.000 1.107 1316 T CA 0.525 62.614 62.100 -0.018 0.000 1.118 1316 T CB -0.226 68.615 68.868 -0.045 0.000 0.889 1316 T HN 0.263 nan 8.240 nan 0.000 0.506 1317 L N 0.128 121.340 121.223 -0.018 0.000 2.592 1317 L HA 0.207 4.547 4.340 -0.001 0.000 0.227 1317 L C 0.476 177.352 176.870 0.009 0.000 1.127 1317 L CA 0.581 55.412 54.840 -0.014 0.000 0.884 1317 L CB -0.138 41.907 42.059 -0.025 0.000 1.065 1317 L HN 0.331 nan 8.230 nan 0.000 0.457 1318 C N 0.415 119.722 119.300 0.012 0.000 2.887 1318 C HA 0.255 4.714 4.460 -0.001 0.000 0.240 1318 C C 0.827 175.827 174.990 0.017 0.000 1.872 1318 C CA -1.003 58.022 59.018 0.011 0.000 1.626 1318 C CB -0.044 27.678 27.740 -0.030 0.000 3.115 1318 C HN 0.157 nan 8.230 nan 0.000 0.488 1319 V N -0.270 119.665 119.914 0.034 0.000 2.432 1319 V HA 0.448 4.568 4.120 -0.001 0.000 0.271 1319 V C 1.089 177.217 176.094 0.057 0.000 1.046 1319 V CA 0.597 62.917 62.300 0.034 0.000 0.945 1319 V CB 0.736 32.574 31.823 0.026 0.000 0.992 1319 V HN 0.513 nan 8.190 nan 0.000 0.471 1320 T N 4.243 118.821 114.554 0.040 0.000 2.575 1320 T HA 0.053 4.403 4.350 -0.001 0.000 0.145 1320 T C 1.072 175.823 174.700 0.085 0.000 1.886 1320 T CA 2.678 64.808 62.100 0.050 0.000 1.191 1320 T CB -1.032 67.851 68.868 0.025 0.000 0.870 1320 T HN 2.819 nan 8.240 nan 0.000 0.357 1321 G N -0.427 108.406 108.800 0.055 0.000 2.730 1321 G HA2 0.177 4.136 3.960 -0.001 0.000 0.644 1321 G HA3 0.177 4.136 3.960 -0.001 0.000 0.644 1321 G C -0.926 173.999 174.900 0.042 0.000 1.168 1321 G CA -0.278 44.849 45.100 0.047 0.000 1.240 1321 G HN 0.843 nan 8.290 nan 0.000 0.551 1322 V N 3.909 123.840 119.914 0.029 0.000 2.294 1322 V HA 0.433 4.553 4.120 -0.001 0.000 0.272 1322 V C -1.078 175.028 176.094 0.019 0.000 1.027 1322 V CA -1.306 61.009 62.300 0.026 0.000 0.823 1322 V CB 1.055 32.892 31.823 0.023 0.000 1.030 1322 V HN 0.619 nan 8.190 nan 0.000 0.457 1323 P HA 0.142 nan 4.420 nan 0.000 0.269 1323 P C 0.953 178.260 177.300 0.011 0.000 1.215 1323 P CA -0.281 62.826 63.100 0.013 0.000 0.780 1323 P CB 0.992 32.700 31.700 0.013 0.000 0.898 1324 E N 2.377 122.580 120.200 0.006 0.000 2.058 1324 E HA -0.261 4.088 4.350 -0.001 0.000 0.194 1324 E C 1.167 177.770 176.600 0.005 0.000 0.997 1324 E CA 2.183 58.586 56.400 0.004 0.000 0.801 1324 E CB -0.650 29.051 29.700 0.001 0.000 0.746 1324 E HN 0.570 nan 8.360 nan 0.000 0.450 1325 N N -0.504 118.200 118.700 0.007 0.000 2.571 1325 N HA -0.079 4.661 4.740 -0.001 0.000 0.189 1325 N C -0.047 175.470 175.510 0.012 0.000 1.154 1325 N CA 0.459 53.514 53.050 0.008 0.000 0.907 1325 N CB -0.682 37.809 38.487 0.007 0.000 0.977 1325 N HN 0.153 nan 8.380 nan 0.000 0.449 1326 C N 1.459 120.768 119.300 0.015 0.000 2.648 1326 C HA 0.188 4.648 4.460 -0.001 0.000 0.419 1326 C C 0.360 175.365 174.990 0.025 0.000 1.352 1326 C CA -0.657 58.375 59.018 0.022 0.000 1.816 1326 C CB -0.530 27.226 27.740 0.025 0.000 2.598 1326 C HN 0.345 nan 8.230 nan 0.000 0.598 1327 K N 8.552 128.971 120.400 0.032 0.000 2.414 1327 K HA 0.404 4.723 4.320 -0.001 0.000 0.251 1327 K C -2.266 174.370 176.600 0.059 0.000 1.037 1327 K CA -1.372 54.937 56.287 0.037 0.000 0.980 1327 K CB 1.164 33.684 32.500 0.034 0.000 1.280 1327 K HN 0.649 nan 8.250 nan 0.000 0.451 1328 P HA 0.008 nan 4.420 nan 0.000 0.274 1328 P C 0.598 177.986 177.300 0.145 0.000 1.231 1328 P CA -0.417 62.744 63.100 0.102 0.000 0.790 1328 P CB 0.653 32.403 31.700 0.083 0.000 0.951 1329 W N 3.135 124.439 121.300 0.007 0.000 2.350 1329 W HA -0.112 4.548 4.660 -0.001 0.000 0.289 1329 W C 0.349 176.925 176.519 0.096 0.000 1.215 1329 W CA 1.831 59.179 57.345 0.006 0.000 1.236 1329 W CB -0.062 29.348 29.460 -0.085 0.000 1.130 1329 W HN 0.532 nan 8.180 nan 0.000 0.541 1330 S N -1.271 114.460 115.700 0.050 0.000 2.607 1330 S HA 0.604 5.074 4.470 -0.001 0.000 0.273 1330 S C -1.325 173.314 174.600 0.065 0.000 1.148 1330 S CA -0.834 57.346 58.200 -0.034 0.000 0.833 1330 S CB 1.943 65.105 63.200 -0.063 0.000 1.130 1330 S HN 0.163 nan 8.310 nan 0.000 0.470 1331 V N 0.847 120.802 119.914 0.067 0.000 2.914 1331 V HA 0.778 4.898 4.120 -0.001 0.000 0.314 1331 V C -0.599 175.528 176.094 0.055 0.000 1.084 1331 V CA -1.051 61.277 62.300 0.046 0.000 0.963 1331 V CB 2.074 33.902 31.823 0.008 0.000 1.025 1331 V HN 1.127 nan 8.190 nan 0.000 0.432 1332 R N 3.759 124.250 120.500 -0.015 0.000 2.404 1332 R HA 0.393 4.733 4.340 -0.001 0.000 0.315 1332 R C -0.553 175.685 176.300 -0.104 0.000 1.032 1332 R CA 0.364 56.400 56.100 -0.107 0.000 0.992 1332 R CB 0.058 30.196 30.300 -0.270 0.000 0.959 1332 R HN 0.601 nan 8.270 nan 0.000 0.428 1333 V N 0.000 119.903 119.914 -0.018 0.000 2.409 1333 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 1333 V CA 0.000 62.284 62.300 -0.027 0.000 1.235 1333 V CB 0.000 31.750 31.823 -0.121 0.000 1.184 1333 V HN 0.000 nan 8.190 nan 0.000 0.556