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 2ckj_1_A 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 FARXXXXXXX XXXXXXXXXX XXXXXXXXXX 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 QASXXXXDIA KVTSGMRVLF KPGTTEVQEL DATA SEQUENCE ALCYGGMANR TISALKTTQR QLSKLWKEEL LQDVCAGLAE ELHLPPDAPG DATA SEQUENCE GMVDFRcTLT LSFFFKFYLT VLQKLGQENL EXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXVQLFQ 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 ETRSTVVSTA 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 KFTTLcVTXX XXXXXXW 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 0.000 177.601 177.584 0.028 0.000 1.274 3 A CA 0.000 52.045 52.037 0.013 0.000 0.836 3 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 4 D N 0.700 121.163 120.400 0.105 0.000 2.559 4 D HA 0.104 4.744 4.640 0.000 0.000 0.296 4 D C -0.043 176.390 176.300 0.222 0.000 1.118 4 D CA 0.707 54.820 54.000 0.188 0.000 0.967 4 D CB 0.421 41.290 40.800 0.116 0.000 1.607 4 D HN 0.665 nan 8.370 nan 0.000 0.493 5 K N 2.383 122.857 120.400 0.125 0.000 2.379 5 K HA 0.254 4.574 4.320 0.000 0.000 0.284 5 K C 0.509 177.140 176.600 0.052 0.000 1.044 5 K CA -0.105 56.225 56.287 0.072 0.000 0.974 5 K CB 1.581 34.118 32.500 0.062 0.000 0.962 5 K HN 0.158 nan 8.250 nan 0.000 0.474 6 L N 1.462 122.650 121.223 -0.060 0.000 2.379 6 L HA 0.557 4.897 4.340 0.000 0.000 0.269 6 L C -0.904 176.035 176.870 0.114 0.000 1.084 6 L CA -0.843 53.942 54.840 -0.092 0.000 0.802 6 L CB 1.241 43.097 42.059 -0.338 0.000 1.175 6 L HN 0.323 nan 8.230 nan 0.000 0.448 7 V N 4.889 125.044 119.914 0.402 0.000 2.567 7 V HA 0.520 4.641 4.120 0.000 0.000 0.298 7 V C -0.586 175.785 176.094 0.462 0.000 1.047 7 V CA -0.311 62.179 62.300 0.317 0.000 0.880 7 V CB 1.187 33.251 31.823 0.401 0.000 1.009 7 V HN 0.839 nan 8.190 nan 0.000 0.429 8 F N 2.208 122.190 119.950 0.053 0.000 2.692 8 F HA 0.889 5.416 4.527 0.000 0.000 0.320 8 F C -1.537 174.293 175.800 0.050 0.000 1.123 8 F CA -1.381 56.712 58.000 0.156 0.000 0.961 8 F CB 1.488 40.560 39.000 0.120 0.000 1.383 8 F HN 0.233 nan 8.300 nan 0.000 0.483 9 F N 0.870 120.917 119.950 0.161 0.000 2.508 9 F HA 0.724 5.251 4.527 0.000 0.000 0.325 9 F C -0.605 175.241 175.800 0.076 0.000 1.090 9 F CA -1.082 56.914 58.000 -0.007 0.000 0.945 9 F CB 2.319 41.292 39.000 -0.045 0.000 1.156 9 F HN 0.296 nan 8.300 nan 0.000 0.463 10 V N 3.388 123.393 119.914 0.152 0.000 2.407 10 V HA 0.272 4.392 4.120 0.000 0.000 0.291 10 V C -0.379 175.773 176.094 0.096 0.000 1.018 10 V CA -1.184 61.203 62.300 0.144 0.000 0.842 10 V CB 1.319 33.215 31.823 0.122 0.000 0.996 10 V HN 0.833 nan 8.190 nan 0.000 0.426 11 N N 4.146 122.895 118.700 0.081 0.000 2.708 11 N HA -0.233 4.507 4.740 0.000 0.000 0.249 11 N C 1.094 176.635 175.510 0.053 0.000 1.097 11 N CA 1.912 54.987 53.050 0.042 0.000 0.710 11 N CB -1.013 37.483 38.487 0.014 0.000 1.032 11 N HN 1.431 nan 8.380 nan 0.000 0.551 12 G N -1.783 107.076 108.800 0.097 0.000 2.376 12 G HA2 -0.273 3.687 3.960 0.000 0.000 0.208 12 G HA3 -0.273 3.687 3.960 0.000 0.000 0.208 12 G C 0.146 175.165 174.900 0.199 0.000 1.032 12 G CA 0.105 45.256 45.100 0.085 0.000 0.641 12 G HN 0.463 nan 8.290 nan 0.000 0.503 13 R N 1.106 121.695 120.500 0.148 0.000 2.457 13 R HA 0.549 4.889 4.340 0.000 0.000 0.284 13 R C 0.320 176.548 176.300 -0.120 0.000 1.024 13 R CA -0.521 55.616 56.100 0.062 0.000 1.025 13 R CB 1.179 31.467 30.300 -0.020 0.000 1.063 13 R HN 0.253 nan 8.270 nan 0.000 0.493 14 K N 1.464 121.606 120.400 -0.430 0.000 2.126 14 K HA 0.300 4.620 4.320 0.000 0.000 0.257 14 K C -1.127 175.093 176.600 -0.634 0.000 1.007 14 K CA -0.324 55.331 56.287 -1.053 0.000 0.928 14 K CB 1.069 33.048 32.500 -0.868 0.000 1.013 14 K HN 0.219 nan 8.250 nan 0.000 0.473 15 V N 3.496 122.990 119.914 -0.700 0.000 2.668 15 V HA 0.289 4.409 4.120 0.000 0.000 0.304 15 V C -1.249 174.575 176.094 -0.450 0.000 1.071 15 V CA -0.861 61.116 62.300 -0.539 0.000 0.894 15 V CB 2.034 33.399 31.823 -0.763 0.000 1.008 15 V HN 0.547 nan 8.190 nan 0.000 0.425 16 V N 4.339 124.093 119.914 -0.266 0.000 2.419 16 V HA 0.518 4.638 4.120 0.000 0.000 0.287 16 V C -0.712 175.319 176.094 -0.105 0.000 1.017 16 V CA -0.458 61.743 62.300 -0.164 0.000 0.844 16 V CB 1.928 33.684 31.823 -0.113 0.000 1.011 16 V HN 0.924 nan 8.190 nan 0.000 0.429 17 E N 4.095 124.239 120.200 -0.094 0.000 2.102 17 E HA 0.381 4.731 4.350 0.000 0.000 0.263 17 E C 0.644 177.213 176.600 -0.052 0.000 0.894 17 E CA -0.372 55.997 56.400 -0.052 0.000 0.746 17 E CB 1.567 31.228 29.700 -0.065 0.000 1.129 17 E HN 0.449 nan 8.360 nan 0.000 0.416 18 K N 2.760 123.146 120.400 -0.023 0.000 2.360 18 K HA 0.022 4.342 4.320 0.000 0.000 0.201 18 K C 0.336 176.932 176.600 -0.006 0.000 1.046 18 K CA 0.916 57.198 56.287 -0.008 0.000 0.945 18 K CB 0.186 32.688 32.500 0.003 0.000 0.750 18 K HN 0.343 nan 8.250 nan 0.000 0.464 19 N N -0.953 117.728 118.700 -0.031 0.000 2.361 19 N HA 0.113 4.853 4.740 0.000 0.000 0.253 19 N C -1.441 174.036 175.510 -0.054 0.000 1.413 19 N CA -0.031 53.009 53.050 -0.017 0.000 0.821 19 N CB 1.066 39.557 38.487 0.007 0.000 1.380 19 N HN 0.025 nan 8.380 nan 0.000 0.493 20 A N 0.455 123.178 122.820 -0.162 0.000 2.540 20 A HA 0.051 4.371 4.320 0.000 0.000 0.239 20 A C 0.219 177.710 177.584 -0.154 0.000 1.061 20 A CA 0.513 52.419 52.037 -0.219 0.000 0.758 20 A CB 0.267 18.971 19.000 -0.493 0.000 0.991 20 A HN 0.156 nan 8.150 nan 0.000 0.502 21 D N 2.897 123.239 120.400 -0.097 0.000 2.317 21 D HA 0.305 4.945 4.640 0.000 0.000 0.234 21 D C -1.689 174.560 176.300 -0.086 0.000 1.112 21 D CA -1.554 52.418 54.000 -0.046 0.000 0.840 21 D CB 1.427 42.223 40.800 -0.006 0.000 1.078 21 D HN 0.161 nan 8.370 nan 0.000 0.486 22 P HA -0.153 nan 4.420 nan 0.000 0.219 22 P C 0.549 177.805 177.300 -0.073 0.000 1.144 22 P CA 1.135 64.167 63.100 -0.113 0.000 0.806 22 P CB 0.348 32.107 31.700 0.098 0.000 0.771 23 E N -1.384 118.815 120.200 -0.002 0.000 2.427 23 E HA -0.035 4.315 4.350 0.000 0.000 0.196 23 E C 0.395 176.992 176.600 -0.006 0.000 1.028 23 E CA 0.493 56.905 56.400 0.020 0.000 0.864 23 E CB -0.368 29.366 29.700 0.057 0.000 0.813 23 E HN 0.344 nan 8.360 nan 0.000 0.514 24 T N 0.224 114.757 114.554 -0.034 0.000 2.727 24 T HA 0.115 4.465 4.350 0.000 0.000 0.295 24 T C 0.278 174.952 174.700 -0.044 0.000 0.915 24 T CA -0.700 61.390 62.100 -0.016 0.000 1.066 24 T CB 1.151 70.030 68.868 0.018 0.000 0.891 24 T HN -0.095 nan 8.240 nan 0.000 0.516 25 T N 3.520 118.066 114.554 -0.012 0.000 2.926 25 T HA 0.106 4.456 4.350 0.000 0.000 0.307 25 T C 1.247 175.949 174.700 0.003 0.000 1.059 25 T CA -0.709 61.384 62.100 -0.011 0.000 1.122 25 T CB 0.363 69.249 68.868 0.030 0.000 0.972 25 T HN 0.619 nan 8.240 nan 0.000 0.545 26 L N 5.439 126.646 121.223 -0.027 0.000 1.970 26 L HA 0.144 4.484 4.340 0.000 0.000 0.212 26 L C 1.135 178.049 176.870 0.073 0.000 1.071 26 L CA 1.603 56.434 54.840 -0.014 0.000 0.751 26 L CB -1.007 41.014 42.059 -0.063 0.000 0.889 26 L HN 0.785 nan 8.230 nan 0.000 0.432 27 L N 0.554 121.808 121.223 0.051 0.000 2.667 27 L HA 0.309 4.649 4.340 0.000 0.000 0.278 27 L C 0.641 177.549 176.870 0.064 0.000 1.217 27 L CA 0.861 55.734 54.840 0.054 0.000 0.935 27 L CB -0.261 41.823 42.059 0.042 0.000 1.193 27 L HN 0.633 nan 8.230 nan 0.000 0.493 28 A N 3.977 126.834 122.820 0.061 0.000 2.229 28 A HA -0.280 4.040 4.320 0.000 0.000 0.202 28 A C 1.233 178.850 177.584 0.055 0.000 0.622 28 A CA 0.655 52.719 52.037 0.044 0.000 1.547 28 A CB -2.038 16.991 19.000 0.047 0.000 1.254 28 A HN 0.866 nan 8.150 nan 0.000 0.679 29 Y N 1.133 121.432 120.300 -0.001 0.000 2.224 29 Y HA 0.048 4.598 4.550 0.000 0.000 0.289 29 Y C 2.178 178.093 175.900 0.025 0.000 1.146 29 Y CA 2.494 60.605 58.100 0.019 0.000 1.182 29 Y CB -0.115 38.375 38.460 0.051 0.000 0.983 29 Y HN 0.466 nan 8.280 nan 0.000 0.524 30 L N -0.625 120.688 121.223 0.150 0.000 2.044 30 L HA -0.158 4.182 4.340 0.000 0.000 0.205 30 L C 2.761 179.630 176.870 -0.002 0.000 1.075 30 L CA 1.211 56.111 54.840 0.101 0.000 0.747 30 L CB -0.377 41.739 42.059 0.096 0.000 0.903 30 L HN 0.122 nan 8.230 nan 0.000 0.435 31 R N 0.672 121.170 120.500 -0.004 0.000 2.080 31 R HA -0.087 4.253 4.340 0.000 0.000 0.222 31 R C 2.012 178.282 176.300 -0.051 0.000 1.107 31 R CA 1.356 57.445 56.100 -0.019 0.000 0.980 31 R CB 0.141 30.442 30.300 0.001 0.000 0.879 31 R HN 0.373 nan 8.270 nan 0.000 0.439 32 R N -0.789 119.667 120.500 -0.073 0.000 2.535 32 R HA 0.143 4.483 4.340 0.000 0.000 0.323 32 R C 1.142 177.349 176.300 -0.155 0.000 0.979 32 R CA -0.024 56.021 56.100 -0.093 0.000 1.120 32 R CB 0.345 30.609 30.300 -0.060 0.000 1.306 32 R HN -0.161 nan 8.270 nan 0.000 0.540 33 K N 0.763 121.005 120.400 -0.264 0.000 2.329 33 K HA 0.258 4.578 4.320 0.000 0.000 0.198 33 K C 0.813 177.206 176.600 -0.345 0.000 1.085 33 K CA 0.669 56.717 56.287 -0.399 0.000 0.961 33 K CB 0.464 32.502 32.500 -0.771 0.000 0.971 33 K HN 0.265 nan 8.250 nan 0.000 0.502 34 L N 0.181 121.232 121.223 -0.287 0.000 3.062 34 L HA 0.484 4.824 4.340 0.000 0.000 0.255 34 L C 0.587 177.395 176.870 -0.102 0.000 1.274 34 L CA -0.288 54.452 54.840 -0.165 0.000 1.047 34 L CB 0.507 42.505 42.059 -0.101 0.000 1.402 34 L HN 0.145 nan 8.230 nan 0.000 0.550 35 G N 1.855 110.592 108.800 -0.106 0.000 2.263 35 G HA2 -0.254 3.706 3.960 0.000 0.000 0.266 35 G HA3 -0.254 3.706 3.960 0.000 0.000 0.266 35 G C -0.006 174.862 174.900 -0.053 0.000 0.817 35 G CA 0.439 45.493 45.100 -0.076 0.000 1.111 35 G HN 0.418 nan 8.290 nan 0.000 0.445 36 L N 1.585 122.784 121.223 -0.041 0.000 2.301 36 L HA 0.410 4.750 4.340 0.000 0.000 0.278 36 L C 1.086 177.944 176.870 -0.021 0.000 1.022 36 L CA -0.538 54.286 54.840 -0.027 0.000 0.854 36 L CB 1.205 43.254 42.059 -0.016 0.000 1.226 36 L HN 0.387 nan 8.230 nan 0.000 0.429 37 S N 1.690 117.379 115.700 -0.018 0.000 2.634 37 S HA 0.522 4.992 4.470 0.000 0.000 0.254 37 S C 1.300 175.891 174.600 -0.014 0.000 1.299 37 S CA 0.319 58.514 58.200 -0.008 0.000 0.974 37 S CB 1.053 64.260 63.200 0.011 0.000 1.001 37 S HN 1.046 nan 8.310 nan 0.000 0.584 38 G N -0.743 108.046 108.800 -0.018 0.000 2.179 38 G HA2 -0.213 3.747 3.960 0.000 0.000 0.260 38 G HA3 -0.213 3.747 3.960 0.000 0.000 0.260 38 G C 0.212 175.057 174.900 -0.092 0.000 0.977 38 G CA 0.388 45.461 45.100 -0.045 0.000 0.641 38 G HN 1.110 nan 8.290 nan 0.000 0.533 39 T N 3.309 117.817 114.554 -0.077 0.000 3.016 39 T HA 0.463 4.813 4.350 0.000 0.000 0.335 39 T C 0.356 174.990 174.700 -0.109 0.000 1.176 39 T CA -0.422 61.628 62.100 -0.083 0.000 0.987 39 T CB 0.829 69.673 68.868 -0.039 0.000 1.073 39 T HN 0.231 nan 8.240 nan 0.000 0.547 40 K N 2.302 122.568 120.400 -0.223 0.000 2.154 40 K HA 0.382 4.702 4.320 0.000 0.000 0.264 40 K C 0.009 176.537 176.600 -0.120 0.000 1.008 40 K CA -0.767 55.335 56.287 -0.309 0.000 0.937 40 K CB 1.387 33.305 32.500 -0.970 0.000 1.002 40 K HN 0.464 nan 8.250 nan 0.000 0.469 41 L N -0.357 120.879 121.223 0.022 0.000 2.282 41 L HA 0.472 4.812 4.340 0.000 0.000 0.288 41 L C 0.611 177.597 176.870 0.194 0.000 1.033 41 L CA 0.331 55.231 54.840 0.099 0.000 0.807 41 L CB 1.486 43.603 42.059 0.098 0.000 1.209 41 L HN 0.726 nan 8.230 nan 0.000 0.423 42 G N 2.173 111.085 108.800 0.187 0.000 2.826 42 G HA2 0.037 3.997 3.960 0.000 0.000 0.197 42 G HA3 0.037 3.997 3.960 0.000 0.000 0.197 42 G C 0.878 175.922 174.900 0.240 0.000 1.072 42 G CA 0.783 46.036 45.100 0.256 0.000 0.733 42 G HN 0.858 nan 8.290 nan 0.000 0.674 43 C N -2.634 116.803 119.300 0.229 0.000 2.709 43 C HA 0.612 5.072 4.460 0.000 0.000 0.504 43 C C 2.165 177.304 174.990 0.248 0.000 1.338 43 C CA 0.808 59.970 59.018 0.240 0.000 2.606 43 C CB 0.532 28.444 27.740 0.287 0.000 3.196 43 C HN 1.438 nan 8.230 nan 0.000 0.538 44 G N 1.462 110.396 108.800 0.223 0.000 2.176 44 G HA2 -0.296 3.664 3.960 0.000 0.000 0.253 44 G HA3 -0.296 3.664 3.960 0.000 0.000 0.253 44 G C 0.478 175.534 174.900 0.261 0.000 0.979 44 G CA 0.822 46.066 45.100 0.241 0.000 0.641 44 G HN 0.809 nan 8.290 nan 0.000 0.530 45 E N -0.544 119.777 120.200 0.202 0.000 2.526 45 E HA 0.422 4.772 4.350 0.000 0.000 0.208 45 E C 1.914 178.541 176.600 0.044 0.000 0.997 45 E CA 0.783 57.221 56.400 0.064 0.000 0.961 45 E CB -0.106 29.677 29.700 0.138 0.000 1.030 45 E HN 1.366 nan 8.360 nan 0.000 0.483 46 G N 0.268 109.122 108.800 0.091 0.000 2.358 46 G HA2 -0.275 3.685 3.960 0.000 0.000 0.224 46 G HA3 -0.275 3.685 3.960 0.000 0.000 0.224 46 G C 0.786 175.746 174.900 0.101 0.000 1.073 46 G CA -0.121 45.028 45.100 0.082 0.000 0.635 46 G HN 0.451 nan 8.290 nan 0.000 0.509 47 G N -0.175 108.695 108.800 0.117 0.000 4.098 47 G HA2 0.448 4.408 3.960 0.000 0.000 0.300 47 G HA3 0.448 4.408 3.960 0.000 0.000 0.300 47 G C 1.044 176.038 174.900 0.156 0.000 1.187 47 G CA 1.280 46.456 45.100 0.125 0.000 0.964 47 G HN 1.605 nan 8.290 nan 0.000 0.559 48 C N -2.356 117.053 119.300 0.181 0.000 3.403 48 C HA 0.514 4.974 4.460 0.000 0.000 0.317 48 C C 2.062 177.161 174.990 0.183 0.000 1.346 48 C CA 0.589 59.731 59.018 0.206 0.000 1.743 48 C CB -0.332 27.576 27.740 0.280 0.000 2.308 48 C HN 1.062 nan 8.230 nan 0.000 0.675 49 G N 1.482 110.375 108.800 0.155 0.000 2.337 49 G HA2 -0.115 3.846 3.960 0.000 0.000 0.290 49 G HA3 -0.115 3.846 3.960 0.000 0.000 0.290 49 G C 0.931 175.895 174.900 0.105 0.000 1.003 49 G CA 0.580 45.761 45.100 0.134 0.000 0.825 49 G HN 1.657 nan 8.290 nan 0.000 0.509 50 A N -0.943 121.927 122.820 0.082 0.000 2.278 50 A HA 0.422 4.742 4.320 0.000 0.000 0.212 50 A C 1.912 179.471 177.584 -0.042 0.000 1.213 50 A CA 1.497 53.532 52.037 -0.003 0.000 0.840 50 A CB -0.501 18.473 19.000 -0.044 0.000 0.866 50 A HN 1.693 nan 8.150 nan 0.000 0.489 51 C N -2.646 116.662 119.300 0.014 0.000 2.976 51 C HA 0.436 4.896 4.460 0.000 0.000 0.274 51 C C 0.482 175.486 174.990 0.023 0.000 1.487 51 C CA -0.472 58.553 59.018 0.012 0.000 1.789 51 C CB -1.570 26.197 27.740 0.045 0.000 2.771 51 C HN 0.214 nan 8.230 nan 0.000 0.551 52 T N 2.460 117.029 114.554 0.026 0.000 2.845 52 T HA 0.593 4.943 4.350 0.000 0.000 0.288 52 T C 0.278 174.989 174.700 0.018 0.000 0.980 52 T CA 0.261 62.386 62.100 0.041 0.000 1.071 52 T CB 1.352 70.260 68.868 0.068 0.000 0.941 52 T HN 0.877 nan 8.240 nan 0.000 0.487 53 V N 1.149 121.073 119.914 0.016 0.000 3.103 53 V HA 0.757 4.877 4.120 0.000 0.000 0.311 53 V C -1.075 175.012 176.094 -0.013 0.000 1.322 53 V CA -1.298 60.998 62.300 -0.007 0.000 1.063 53 V CB 2.412 34.230 31.823 -0.008 0.000 1.090 53 V HN 0.813 nan 8.190 nan 0.000 0.462 54 M N 2.289 121.871 119.600 -0.030 0.000 2.151 54 M HA 0.550 5.030 4.480 0.000 0.000 0.290 54 M C -1.907 174.331 176.300 -0.103 0.000 0.965 54 M CA -0.635 54.634 55.300 -0.052 0.000 0.930 54 M CB 1.563 34.178 32.600 0.024 0.000 1.560 54 M HN 0.766 nan 8.290 nan 0.000 0.438 55 L N 4.628 125.671 121.223 -0.299 0.000 2.315 55 L HA 0.384 4.724 4.340 0.000 0.000 0.283 55 L C -0.175 176.477 176.870 -0.364 0.000 1.089 55 L CA -0.354 54.248 54.840 -0.396 0.000 0.833 55 L CB 0.753 42.401 42.059 -0.685 0.000 1.170 55 L HN 0.689 nan 8.230 nan 0.000 0.442 56 S N 3.792 119.485 115.700 -0.012 0.000 2.454 56 S HA 0.716 5.186 4.470 0.000 0.000 0.306 56 S C -0.548 174.190 174.600 0.230 0.000 1.100 56 S CA -1.016 57.263 58.200 0.131 0.000 1.087 56 S CB 2.070 65.541 63.200 0.452 0.000 1.019 56 S HN 0.681 nan 8.310 nan 0.000 0.480 57 K N 0.735 121.230 120.400 0.158 0.000 2.509 57 K HA 0.504 4.824 4.320 0.000 0.000 0.266 57 K C -1.871 174.799 176.600 0.118 0.000 0.987 57 K CA -1.041 55.403 56.287 0.262 0.000 0.868 57 K CB 1.230 33.874 32.500 0.239 0.000 1.421 57 K HN 0.518 nan 8.250 nan 0.000 0.444 58 Y N 1.966 122.301 120.300 0.059 0.000 2.320 58 Y HA 0.125 4.675 4.550 0.000 0.000 0.334 58 Y C 0.757 176.624 175.900 -0.054 0.000 1.055 58 Y CA -0.467 57.572 58.100 -0.102 0.000 1.143 58 Y CB 1.448 39.891 38.460 -0.028 0.000 1.193 58 Y HN 0.902 nan 8.280 nan 0.000 0.477 59 D N 3.845 123.759 120.400 -0.810 0.000 2.103 59 D HA -0.131 4.509 4.640 0.000 0.000 0.199 59 D C 1.367 177.283 176.300 -0.641 0.000 0.978 59 D CA 1.810 55.474 54.000 -0.561 0.000 0.829 59 D CB 0.174 40.764 40.800 -0.351 0.000 0.981 59 D HN 0.923 nan 8.370 nan 0.000 0.464 60 R N -1.768 118.160 120.500 -0.953 0.000 2.600 60 R HA -0.183 4.157 4.340 0.000 0.000 0.244 60 R C 1.813 177.975 176.300 -0.229 0.000 0.725 60 R CA 1.046 56.852 56.100 -0.490 0.000 1.696 60 R CB -1.541 28.594 30.300 -0.275 0.000 1.218 60 R HN 0.292 nan 8.270 nan 0.000 0.546 61 L N 1.483 122.582 121.223 -0.205 0.000 2.102 61 L HA -0.031 4.309 4.340 0.000 0.000 0.202 61 L C 0.915 177.719 176.870 -0.109 0.000 1.076 61 L CA 2.278 57.043 54.840 -0.125 0.000 0.761 61 L CB -0.305 41.694 42.059 -0.100 0.000 0.921 61 L HN 0.449 nan 8.230 nan 0.000 0.444 62 Q N -0.341 119.377 119.800 -0.136 0.000 2.186 62 Q HA 0.126 4.466 4.340 0.000 0.000 0.241 62 Q C 0.223 176.158 176.000 -0.108 0.000 0.849 62 Q CA -0.194 55.550 55.803 -0.098 0.000 1.053 62 Q CB -0.365 28.326 28.738 -0.078 0.000 1.146 62 Q HN 0.382 nan 8.270 nan 0.000 0.475 63 N N 2.426 121.035 118.700 -0.152 0.000 2.777 63 N HA -0.242 4.498 4.740 0.000 0.000 0.290 63 N C -1.017 174.512 175.510 0.033 0.000 1.040 63 N CA 0.704 53.721 53.050 -0.054 0.000 0.819 63 N CB -0.019 38.517 38.487 0.081 0.000 0.952 63 N HN 0.213 nan 8.380 nan 0.000 0.584 64 K N 2.075 122.441 120.400 -0.057 0.000 2.509 64 K HA 0.500 4.820 4.320 0.000 0.000 0.266 64 K C -0.816 175.736 176.600 -0.080 0.000 0.987 64 K CA -0.698 55.557 56.287 -0.053 0.000 0.868 64 K CB 1.599 34.041 32.500 -0.096 0.000 1.421 64 K HN 0.292 nan 8.250 nan 0.000 0.444 65 I N 2.888 123.372 120.570 -0.144 0.000 2.362 65 I HA 0.240 4.410 4.170 0.000 0.000 0.289 65 I C 0.071 175.962 176.117 -0.376 0.000 0.994 65 I CA -0.995 60.122 61.300 -0.305 0.000 1.158 65 I CB 1.694 39.400 38.000 -0.490 0.000 1.315 65 I HN 0.259 nan 8.210 nan 0.000 0.451 66 V N 3.580 123.288 119.914 -0.343 0.000 2.732 66 V HA 0.558 4.678 4.120 0.000 0.000 0.310 66 V C -0.480 175.345 176.094 -0.448 0.000 1.053 66 V CA -0.570 61.553 62.300 -0.294 0.000 0.957 66 V CB 1.619 33.405 31.823 -0.062 0.000 1.018 66 V HN 0.536 nan 8.190 nan 0.000 0.452 67 H N 4.135 123.275 119.070 0.117 0.000 2.481 67 H HA 0.712 5.268 4.556 0.000 0.000 0.333 67 H C -0.683 174.772 175.328 0.210 0.000 1.066 67 H CA -0.264 55.836 56.048 0.086 0.000 1.209 67 H CB 1.549 31.320 29.762 0.016 0.000 1.445 67 H HN 0.837 nan 8.280 nan 0.000 0.488 68 F N -0.682 119.337 119.950 0.115 0.000 2.715 68 F HA 0.659 5.186 4.527 0.000 0.000 0.318 68 F C -0.457 175.381 175.800 0.062 0.000 1.141 68 F CA -1.256 56.781 58.000 0.061 0.000 0.950 68 F CB 0.932 39.945 39.000 0.022 0.000 1.374 68 F HN 0.306 nan 8.300 nan 0.000 0.477 69 S N 0.556 116.397 115.700 0.235 0.000 2.690 69 S HA 0.983 5.453 4.470 0.000 0.000 0.291 69 S C -0.654 174.046 174.600 0.167 0.000 1.138 69 S CA -0.256 58.012 58.200 0.114 0.000 1.013 69 S CB 1.583 64.841 63.200 0.097 0.000 1.053 69 S HN 1.646 nan 8.310 nan 0.000 0.539 70 A N 1.243 124.125 122.820 0.103 0.000 2.597 70 A HA 0.607 4.927 4.320 0.000 0.000 0.292 70 A C -1.598 176.034 177.584 0.081 0.000 1.057 70 A CA -1.227 50.884 52.037 0.123 0.000 0.674 70 A CB 0.796 19.883 19.000 0.145 0.000 1.278 70 A HN 0.922 nan 8.150 nan 0.000 0.416 71 N N 0.881 119.631 118.700 0.082 0.000 2.372 71 N HA 0.509 5.250 4.740 0.000 0.000 0.291 71 N C 0.302 175.846 175.510 0.057 0.000 1.024 71 N CA -0.158 52.933 53.050 0.069 0.000 0.873 71 N CB 2.275 40.809 38.487 0.079 0.000 1.206 71 N HN 0.740 nan 8.380 nan 0.000 0.486 72 A N 0.690 123.536 122.820 0.045 0.000 2.275 72 A HA 0.017 4.337 4.320 0.000 0.000 0.212 72 A C 1.817 179.423 177.584 0.037 0.000 1.201 72 A CA -0.181 51.874 52.037 0.031 0.000 0.843 72 A CB -0.611 18.402 19.000 0.022 0.000 0.873 72 A HN 0.907 nan 8.150 nan 0.000 0.492 73 C N -2.349 116.984 119.300 0.054 0.000 2.539 73 C HA 0.453 4.913 4.460 0.000 0.000 0.271 73 C C 1.450 176.485 174.990 0.074 0.000 1.412 73 C CA 0.260 59.319 59.018 0.069 0.000 1.729 73 C CB -1.396 26.398 27.740 0.090 0.000 1.739 73 C HN 0.480 nan 8.230 nan 0.000 0.570 74 L N -0.398 120.861 121.223 0.059 0.000 3.227 74 L HA 0.382 4.722 4.340 0.000 0.000 0.287 74 L C 1.147 178.044 176.870 0.044 0.000 1.161 74 L CA 0.398 55.275 54.840 0.062 0.000 1.048 74 L CB 0.155 42.254 42.059 0.066 0.000 1.541 74 L HN 0.277 nan 8.230 nan 0.000 0.590 75 A N 2.705 125.539 122.820 0.023 0.000 2.249 75 A HA 0.573 4.893 4.320 0.000 0.000 0.314 75 A C -2.406 175.142 177.584 -0.059 0.000 1.290 75 A CA -1.326 50.710 52.037 -0.002 0.000 0.893 75 A CB -0.036 18.965 19.000 0.002 0.000 1.165 75 A HN -0.104 nan 8.150 nan 0.000 0.530 76 P HA 0.047 nan 4.420 nan 0.000 0.268 76 P C 1.100 178.209 177.300 -0.319 0.000 1.205 76 P CA -0.161 62.822 63.100 -0.195 0.000 0.771 76 P CB 0.708 32.255 31.700 -0.255 0.000 0.858 77 I N 0.354 120.701 120.570 -0.373 0.000 2.614 77 I HA -0.156 4.015 4.170 0.000 0.000 0.258 77 I C 1.455 177.231 176.117 -0.568 0.000 1.189 77 I CA 1.162 62.158 61.300 -0.506 0.000 1.462 77 I CB -0.931 36.724 38.000 -0.574 0.000 1.092 77 I HN 0.107 nan 8.210 nan 0.000 0.442 78 C N 2.140 121.012 119.300 -0.713 0.000 2.409 78 C HA -0.099 4.361 4.460 0.000 0.000 0.288 78 C C 3.204 177.903 174.990 -0.485 0.000 1.395 78 C CA 1.271 59.801 59.018 -0.813 0.000 1.792 78 C CB -1.740 25.129 27.740 -1.452 0.000 1.847 78 C HN 0.767 nan 8.230 nan 0.000 0.534 79 S N 0.988 116.462 115.700 -0.376 0.000 2.428 79 S HA 0.044 4.514 4.470 0.000 0.000 0.230 79 S C 1.259 175.876 174.600 0.028 0.000 1.014 79 S CA 0.883 59.072 58.200 -0.020 0.000 0.957 79 S CB -0.534 62.698 63.200 0.054 0.000 0.784 79 S HN 0.667 nan 8.310 nan 0.000 0.499 80 L N 1.777 122.938 121.223 -0.105 0.000 2.660 80 L HA 0.219 4.560 4.340 0.000 0.000 0.238 80 L C 0.660 177.599 176.870 0.115 0.000 1.161 80 L CA -0.222 54.566 54.840 -0.087 0.000 0.937 80 L CB -0.921 40.887 42.059 -0.418 0.000 1.122 80 L HN 0.314 nan 8.230 nan 0.000 0.435 81 H N 0.569 119.734 119.070 0.158 0.000 3.107 81 H HA -0.070 4.486 4.556 0.000 0.000 0.301 81 H C 0.490 176.073 175.328 0.425 0.000 0.981 81 H CA 0.563 56.791 56.048 0.300 0.000 1.443 81 H CB -0.001 29.979 29.762 0.364 0.000 1.479 81 H HN 0.176 nan 8.280 nan 0.000 0.564 82 H N 0.629 119.816 119.070 0.196 0.000 3.109 82 H HA -0.169 4.387 4.556 0.000 0.000 0.245 82 H C -0.442 175.003 175.328 0.195 0.000 1.187 82 H CA 0.772 56.875 56.048 0.092 0.000 1.136 82 H CB -1.872 27.812 29.762 -0.130 0.000 1.243 82 H HN 0.276 nan 8.280 nan 0.000 0.328 83 V N -0.452 119.677 119.914 0.358 0.000 2.743 83 V HA 0.781 4.901 4.120 0.000 0.000 0.301 83 V C 0.858 177.115 176.094 0.273 0.000 1.057 83 V CA -0.156 62.309 62.300 0.274 0.000 1.006 83 V CB 1.944 33.886 31.823 0.199 0.000 1.024 83 V HN 0.485 nan 8.190 nan 0.000 0.473 84 A N 3.053 125.991 122.820 0.196 0.000 2.342 84 A HA 0.822 5.142 4.320 0.000 0.000 0.323 84 A C -0.876 176.792 177.584 0.140 0.000 1.125 84 A CA -0.536 51.606 52.037 0.176 0.000 0.785 84 A CB 1.504 20.499 19.000 -0.007 0.000 1.221 84 A HN 0.704 nan 8.150 nan 0.000 0.463 85 V N 1.900 121.914 119.914 0.168 0.000 2.398 85 V HA 0.574 4.694 4.120 0.000 0.000 0.286 85 V C 0.164 176.299 176.094 0.069 0.000 1.026 85 V CA -0.443 61.919 62.300 0.103 0.000 0.868 85 V CB 1.234 33.136 31.823 0.132 0.000 0.982 85 V HN 0.882 nan 8.190 nan 0.000 0.443 86 T N 3.053 117.620 114.554 0.021 0.000 2.859 86 T HA 0.578 4.928 4.350 0.000 0.000 0.281 86 T C 0.021 174.684 174.700 -0.062 0.000 1.005 86 T CA -0.275 61.807 62.100 -0.029 0.000 1.025 86 T CB 1.942 70.773 68.868 -0.062 0.000 0.977 86 T HN 0.777 nan 8.240 nan 0.000 0.458 87 T N 0.544 115.044 114.554 -0.090 0.000 2.883 87 T HA 0.404 4.754 4.350 0.000 0.000 0.284 87 T C 1.353 175.972 174.700 -0.136 0.000 1.041 87 T CA -0.514 61.538 62.100 -0.079 0.000 1.007 87 T CB 1.614 70.455 68.868 -0.044 0.000 1.220 87 T HN 0.304 nan 8.240 nan 0.000 0.552 88 V N 1.441 121.288 119.914 -0.111 0.000 2.295 88 V HA -0.068 4.052 4.120 0.000 0.000 0.246 88 V C 2.130 178.148 176.094 -0.128 0.000 1.049 88 V CA 2.427 64.648 62.300 -0.130 0.000 1.024 88 V CB -0.488 31.286 31.823 -0.083 0.000 0.648 88 V HN 0.926 nan 8.190 nan 0.000 0.447 89 E N -0.043 120.106 120.200 -0.085 0.000 2.438 89 E HA 0.023 4.373 4.350 0.000 0.000 0.192 89 E C 1.679 178.231 176.600 -0.079 0.000 1.110 89 E CA 0.785 57.144 56.400 -0.069 0.000 0.893 89 E CB -0.216 29.459 29.700 -0.042 0.000 0.990 89 E HN 0.615 nan 8.360 nan 0.000 0.490 90 G N 1.960 110.688 108.800 -0.119 0.000 2.603 90 G HA2 -0.021 3.939 3.960 0.000 0.000 0.214 90 G HA3 -0.021 3.939 3.960 0.000 0.000 0.214 90 G C 1.594 176.400 174.900 -0.157 0.000 1.140 90 G CA 0.320 45.345 45.100 -0.124 0.000 0.800 90 G HN 0.444 nan 8.290 nan 0.000 0.533 91 I N -2.961 117.467 120.570 -0.235 0.000 3.968 91 I HA 0.551 4.721 4.170 0.000 0.000 0.328 91 I C 0.652 176.736 176.117 -0.054 0.000 1.290 91 I CA 0.189 61.335 61.300 -0.257 0.000 1.163 91 I CB 0.643 38.228 38.000 -0.693 0.000 1.024 91 I HN 0.057 nan 8.210 nan 0.000 0.413 92 G N 0.879 109.653 108.800 -0.043 0.000 2.402 92 G HA2 0.413 4.373 3.960 0.000 0.000 0.301 92 G HA3 0.413 4.373 3.960 0.000 0.000 0.301 92 G C -1.340 173.562 174.900 0.003 0.000 1.615 92 G CA 0.108 45.221 45.100 0.021 0.000 0.889 92 G HN 0.441 nan 8.290 nan 0.000 0.647 93 S N -1.029 114.681 115.700 0.016 0.000 2.567 93 S HA 0.665 5.135 4.470 0.000 0.000 0.270 93 S C 1.142 175.752 174.600 0.015 0.000 1.152 93 S CA 0.823 59.029 58.200 0.009 0.000 0.835 93 S CB 1.228 64.427 63.200 -0.001 0.000 1.115 93 S HN 1.956 nan 8.310 nan 0.000 0.459 94 T N 0.082 114.645 114.554 0.014 0.000 3.007 94 T HA 0.054 4.405 4.350 0.000 0.000 0.270 94 T C 1.039 175.747 174.700 0.013 0.000 1.107 94 T CA 1.025 63.135 62.100 0.016 0.000 1.118 94 T CB -0.528 68.351 68.868 0.018 0.000 0.889 94 T HN 0.623 nan 8.240 nan 0.000 0.506 95 K N 1.342 121.747 120.400 0.008 0.000 2.458 95 K HA 0.185 4.505 4.320 0.000 0.000 0.194 95 K C 1.654 178.257 176.600 0.005 0.000 1.024 95 K CA 0.696 56.985 56.287 0.004 0.000 1.108 95 K CB 0.332 32.831 32.500 -0.001 0.000 0.846 95 K HN 0.726 nan 8.250 nan 0.000 0.518 96 T N -3.459 111.101 114.554 0.010 0.000 3.414 96 T HA 0.307 4.657 4.350 0.000 0.000 0.143 96 T C -0.229 174.482 174.700 0.018 0.000 0.856 96 T CA -0.736 61.371 62.100 0.013 0.000 0.849 96 T CB 0.586 69.460 68.868 0.011 0.000 1.227 96 T HN -0.238 nan 8.240 nan 0.000 0.278 97 R N 0.878 121.393 120.500 0.025 0.000 2.621 97 R HA 0.606 4.946 4.340 0.000 0.000 0.284 97 R C -1.074 175.251 176.300 0.042 0.000 0.998 97 R CA -0.625 55.493 56.100 0.030 0.000 0.895 97 R CB 2.259 32.576 30.300 0.029 0.000 1.195 97 R HN 0.467 nan 8.270 nan 0.000 0.450 98 L N 2.713 123.961 121.223 0.043 0.000 2.439 98 L HA 0.179 4.519 4.340 0.000 0.000 0.269 98 L C 0.997 177.933 176.870 0.110 0.000 1.179 98 L CA -0.176 54.703 54.840 0.065 0.000 0.828 98 L CB 0.225 42.314 42.059 0.050 0.000 1.106 98 L HN 0.374 nan 8.230 nan 0.000 0.467 99 H N 4.922 124.008 119.070 0.026 0.000 2.548 99 H HA 0.135 4.691 4.556 0.000 0.000 0.331 99 H C -1.836 173.532 175.328 0.068 0.000 1.093 99 H CA -1.859 54.221 56.048 0.053 0.000 1.367 99 H CB 1.877 31.678 29.762 0.065 0.000 1.455 99 H HN 0.348 nan 8.280 nan 0.000 0.519 100 P HA -0.220 nan 4.420 nan 0.000 0.218 100 P C 1.632 179.136 177.300 0.340 0.000 1.150 100 P CA 1.024 64.168 63.100 0.075 0.000 0.841 100 P CB 0.173 31.889 31.700 0.025 0.000 0.784 101 V N -0.158 120.123 119.914 0.612 0.000 2.568 101 V HA -0.241 3.879 4.120 0.000 0.000 0.253 101 V C 2.782 179.073 176.094 0.329 0.000 1.072 101 V CA 1.839 64.377 62.300 0.398 0.000 1.084 101 V CB -1.364 30.575 31.823 0.192 0.000 0.676 101 V HN 0.166 nan 8.190 nan 0.000 0.469 102 Q N 0.128 120.087 119.800 0.265 0.000 2.062 102 Q HA -0.199 4.141 4.340 0.000 0.000 0.196 102 Q C 2.360 178.409 176.000 0.081 0.000 0.967 102 Q CA 1.716 57.606 55.803 0.146 0.000 0.832 102 Q CB -0.093 28.708 28.738 0.105 0.000 0.899 102 Q HN 0.911 nan 8.270 nan 0.000 0.442 103 E N 0.196 120.420 120.200 0.040 0.000 2.216 103 E HA -0.134 4.216 4.350 0.000 0.000 0.192 103 E C 1.806 178.298 176.600 -0.180 0.000 0.988 103 E CA 0.635 57.001 56.400 -0.057 0.000 0.834 103 E CB -0.022 29.639 29.700 -0.066 0.000 0.772 103 E HN 0.134 nan 8.360 nan 0.000 0.479 104 R N 0.330 120.688 120.500 -0.237 0.000 2.119 104 R HA 0.135 4.475 4.340 0.000 0.000 0.222 104 R C 2.437 178.616 176.300 -0.202 0.000 1.088 104 R CA 1.095 56.917 56.100 -0.464 0.000 0.984 104 R CB -0.258 29.743 30.300 -0.499 0.000 0.884 104 R HN 0.277 nan 8.270 nan 0.000 0.447 105 I N 0.535 121.098 120.570 -0.012 0.000 2.546 105 I HA -0.169 4.001 4.170 0.000 0.000 0.255 105 I C 1.911 177.945 176.117 -0.139 0.000 1.163 105 I CA 0.891 62.136 61.300 -0.092 0.000 1.457 105 I CB -0.084 37.948 38.000 0.053 0.000 1.092 105 I HN 0.170 nan 8.210 nan 0.000 0.434 106 A N 0.536 123.291 122.820 -0.108 0.000 1.872 106 A HA -0.177 4.143 4.320 0.000 0.000 0.214 106 A C 2.233 179.696 177.584 -0.202 0.000 1.187 106 A CA 1.198 53.162 52.037 -0.122 0.000 0.614 106 A CB -0.345 18.613 19.000 -0.069 0.000 0.826 106 A HN 0.312 nan 8.150 nan 0.000 0.442 107 K N 0.402 120.675 120.400 -0.211 0.000 2.459 107 K HA 0.001 4.321 4.320 0.000 0.000 0.193 107 K C 1.218 177.536 176.600 -0.471 0.000 1.030 107 K CA 0.876 57.030 56.287 -0.221 0.000 1.026 107 K CB 0.067 32.569 32.500 0.003 0.000 0.809 107 K HN 0.602 nan 8.250 nan 0.000 0.504 108 S N -0.485 114.859 115.700 -0.594 0.000 2.575 108 S HA 0.055 4.525 4.470 0.000 0.000 0.237 108 S C -0.274 173.937 174.600 -0.648 0.000 0.975 108 S CA -0.536 57.033 58.200 -1.051 0.000 0.960 108 S CB -0.148 62.319 63.200 -1.221 0.000 0.822 108 S HN 0.286 nan 8.310 nan 0.000 0.472 109 H N -0.407 118.519 119.070 -0.240 0.000 2.931 109 H HA -0.129 4.427 4.556 0.000 0.000 0.290 109 H C 0.842 176.087 175.328 -0.138 0.000 1.264 109 H CA 0.587 56.554 56.048 -0.136 0.000 1.140 109 H CB -1.783 27.927 29.762 -0.087 0.000 1.343 109 H HN 0.633 nan 8.280 nan 0.000 0.403 110 G N -0.214 108.513 108.800 -0.122 0.000 3.434 110 G HA2 0.283 4.243 3.960 0.000 0.000 0.258 110 G HA3 0.283 4.243 3.960 0.000 0.000 0.258 110 G C 0.203 175.053 174.900 -0.084 0.000 1.128 110 G CA 0.703 45.733 45.100 -0.117 0.000 0.792 110 G HN 0.311 nan 8.290 nan 0.000 0.539 111 S N -0.574 115.086 115.700 -0.068 0.000 2.511 111 S HA 0.357 4.827 4.470 0.000 0.000 0.233 111 S C 0.432 174.981 174.600 -0.085 0.000 1.104 111 S CA -0.567 57.594 58.200 -0.065 0.000 1.129 111 S CB 1.024 64.179 63.200 -0.075 0.000 1.159 111 S HN 0.332 nan 8.310 nan 0.000 0.451 112 Q N 1.352 121.120 119.800 -0.053 0.000 1.865 112 Q HA 0.041 4.381 4.340 0.000 0.000 0.268 112 Q C 2.509 178.464 176.000 -0.075 0.000 0.961 112 Q CA 1.533 57.312 55.803 -0.041 0.000 0.870 112 Q CB -0.497 28.244 28.738 0.007 0.000 0.929 112 Q HN 0.948 nan 8.270 nan 0.000 0.450 113 C N -0.621 118.687 119.300 0.013 0.000 2.425 113 C HA 0.171 4.631 4.460 0.000 0.000 0.277 113 C C 1.801 176.898 174.990 0.178 0.000 1.280 113 C CA 0.739 59.801 59.018 0.074 0.000 1.744 113 C CB -1.277 26.520 27.740 0.095 0.000 1.989 113 C HN 0.870 nan 8.230 nan 0.000 0.491 114 G N -1.373 107.529 108.800 0.170 0.000 2.192 114 G HA2 -0.242 3.718 3.960 0.000 0.000 0.193 114 G HA3 -0.242 3.718 3.960 0.000 0.000 0.193 114 G C 0.384 175.443 174.900 0.264 0.000 0.999 114 G CA 0.439 45.664 45.100 0.210 0.000 0.659 114 G HN 0.557 nan 8.290 nan 0.000 0.503 115 F N 1.658 121.621 119.950 0.022 0.000 2.270 115 F HA 0.124 4.651 4.527 0.000 0.000 0.295 115 F C 2.727 178.488 175.800 -0.065 0.000 1.087 115 F CA 1.919 59.811 58.000 -0.179 0.000 1.365 115 F CB -0.165 38.666 39.000 -0.283 0.000 1.056 115 F HN 0.530 nan 8.300 nan 0.000 0.506 116 C N -1.294 118.057 119.300 0.085 0.000 2.576 116 C HA 0.131 4.591 4.460 0.000 0.000 0.267 116 C C 2.342 177.347 174.990 0.025 0.000 1.364 116 C CA 0.539 59.587 59.018 0.049 0.000 1.723 116 C CB -1.859 25.957 27.740 0.127 0.000 1.778 116 C HN 0.371 nan 8.230 nan 0.000 0.572 117 T N 3.037 117.600 114.554 0.014 0.000 2.643 117 T HA -0.055 4.295 4.350 0.000 0.000 0.264 117 T C -0.233 174.482 174.700 0.025 0.000 1.045 117 T CA 2.506 64.623 62.100 0.029 0.000 1.155 117 T CB -1.207 67.682 68.868 0.035 0.000 0.863 117 T HN 0.398 nan 8.240 nan 0.000 0.420 118 P HA -0.117 nan 4.420 nan 0.000 0.216 118 P C 1.700 179.002 177.300 0.004 0.000 1.157 118 P CA 1.441 64.527 63.100 -0.023 0.000 0.880 118 P CB -0.565 31.091 31.700 -0.074 0.000 0.791 119 G N -0.013 108.783 108.800 -0.008 0.000 2.574 119 G HA2 -0.300 3.660 3.960 0.000 0.000 0.220 119 G HA3 -0.300 3.660 3.960 0.000 0.000 0.220 119 G C 1.527 176.504 174.900 0.128 0.000 1.173 119 G CA 1.097 46.227 45.100 0.050 0.000 0.772 119 G HN 0.253 nan 8.290 nan 0.000 0.585 120 I N 0.410 121.067 120.570 0.145 0.000 2.315 120 I HA -0.148 4.022 4.170 0.000 0.000 0.248 120 I C 2.798 179.084 176.117 0.281 0.000 1.117 120 I CA 0.473 61.895 61.300 0.204 0.000 1.404 120 I CB -0.398 37.655 38.000 0.088 0.000 1.071 120 I HN 0.045 nan 8.210 nan 0.000 0.419 121 V N 0.742 120.777 119.914 0.201 0.000 2.332 121 V HA -0.306 3.814 4.120 0.000 0.000 0.248 121 V C 2.539 178.712 176.094 0.132 0.000 1.055 121 V CA 1.664 64.072 62.300 0.180 0.000 1.038 121 V CB -0.551 31.331 31.823 0.098 0.000 0.651 121 V HN 0.395 nan 8.190 nan 0.000 0.450 122 M N -0.731 118.927 119.600 0.096 0.000 2.254 122 M HA -0.054 4.426 4.480 0.000 0.000 0.265 122 M C 2.409 178.786 176.300 0.128 0.000 1.066 122 M CA 1.236 56.587 55.300 0.085 0.000 1.123 122 M CB -1.437 31.183 32.600 0.035 0.000 1.388 122 M HN 0.337 nan 8.290 nan 0.000 0.425 123 S N 0.861 116.663 115.700 0.170 0.000 2.353 123 S HA -0.176 4.295 4.470 0.000 0.000 0.222 123 S C 1.892 176.517 174.600 0.042 0.000 1.035 123 S CA 1.617 59.910 58.200 0.154 0.000 1.025 123 S CB -0.227 63.161 63.200 0.314 0.000 0.902 123 S HN 0.362 nan 8.310 nan 0.000 0.440 124 M N 0.665 120.352 119.600 0.146 0.000 2.115 124 M HA -0.155 4.325 4.480 0.000 0.000 0.258 124 M C 1.749 177.942 176.300 -0.178 0.000 1.071 124 M CA 1.743 56.990 55.300 -0.088 0.000 1.100 124 M CB -1.183 31.316 32.600 -0.170 0.000 1.292 124 M HN 0.427 nan 8.290 nan 0.000 0.415 125 Y N 0.402 120.575 120.300 -0.211 0.000 2.133 125 Y HA -0.350 4.200 4.550 0.000 0.000 0.279 125 Y C 2.001 177.776 175.900 -0.210 0.000 1.209 125 Y CA 2.724 60.676 58.100 -0.247 0.000 1.152 125 Y CB -0.879 37.432 38.460 -0.248 0.000 0.961 125 Y HN 0.412 nan 8.280 nan 0.000 0.512 126 T N 0.480 114.977 114.554 -0.095 0.000 2.857 126 T HA -0.144 4.207 4.350 0.000 0.000 0.266 126 T C 1.760 176.338 174.700 -0.204 0.000 1.048 126 T CA 1.008 63.029 62.100 -0.132 0.000 1.139 126 T CB -0.582 68.283 68.868 -0.005 0.000 0.874 126 T HN 0.287 nan 8.240 nan 0.000 0.455 127 L N 1.050 122.143 121.223 -0.216 0.000 2.043 127 L HA 0.010 4.350 4.340 0.000 0.000 0.212 127 L C 1.989 178.706 176.870 -0.255 0.000 1.075 127 L CA 1.649 56.352 54.840 -0.228 0.000 0.752 127 L CB -0.709 41.186 42.059 -0.273 0.000 0.891 127 L HN 0.252 nan 8.230 nan 0.000 0.432 128 L N -1.401 119.612 121.223 -0.350 0.000 2.341 128 L HA -0.050 4.290 4.340 0.000 0.000 0.214 128 L C 2.414 179.085 176.870 -0.333 0.000 1.115 128 L CA 0.433 55.054 54.840 -0.365 0.000 0.820 128 L CB -0.192 41.569 42.059 -0.497 0.000 0.944 128 L HN 0.190 nan 8.230 nan 0.000 0.452 129 R N -0.313 119.956 120.500 -0.386 0.000 2.275 129 R HA 0.012 4.352 4.340 0.000 0.000 0.199 129 R C 1.661 177.853 176.300 -0.179 0.000 0.989 129 R CA 0.600 56.492 56.100 -0.347 0.000 1.016 129 R CB 0.019 30.017 30.300 -0.503 0.000 0.918 129 R HN 0.206 nan 8.270 nan 0.000 0.473 130 N N -0.742 117.878 118.700 -0.133 0.000 2.356 130 N HA 0.032 4.772 4.740 0.000 0.000 0.178 130 N C -0.706 174.763 175.510 -0.068 0.000 1.075 130 N CA 0.392 53.410 53.050 -0.054 0.000 0.889 130 N CB 0.787 39.253 38.487 -0.035 0.000 0.999 130 N HN -0.006 nan 8.380 nan 0.000 0.464 131 Q N -0.595 119.144 119.800 -0.101 0.000 3.088 131 Q HA 0.237 4.577 4.340 0.000 0.000 0.205 131 Q C -2.494 173.440 176.000 -0.110 0.000 0.782 131 Q CA -0.972 54.778 55.803 -0.087 0.000 0.897 131 Q CB 1.630 30.316 28.738 -0.087 0.000 1.495 131 Q HN 0.026 nan 8.270 nan 0.000 0.459 132 P HA 0.117 nan 4.420 nan 0.000 0.251 132 P C -0.353 176.903 177.300 -0.074 0.000 1.223 132 P CA 0.378 63.416 63.100 -0.104 0.000 0.796 132 P CB 0.642 32.296 31.700 -0.077 0.000 1.068 133 E N 1.018 121.191 120.200 -0.045 0.000 2.761 133 E HA 0.262 4.612 4.350 0.000 0.000 0.266 133 E C -2.488 174.106 176.600 -0.009 0.000 1.097 133 E CA -1.862 54.534 56.400 -0.006 0.000 0.773 133 E CB 1.449 31.154 29.700 0.009 0.000 1.453 133 E HN 0.053 nan 8.360 nan 0.000 0.388 134 P HA 0.197 nan 4.420 nan 0.000 0.293 134 P C -0.379 176.926 177.300 0.010 0.000 1.304 134 P CA -0.409 62.676 63.100 -0.024 0.000 0.767 134 P CB 1.084 32.751 31.700 -0.055 0.000 1.247 135 T N -3.065 111.489 114.554 0.001 0.000 2.895 135 T HA 0.278 4.628 4.350 0.000 0.000 0.283 135 T C 1.527 176.244 174.700 0.029 0.000 1.014 135 T CA -0.823 61.288 62.100 0.018 0.000 1.037 135 T CB 0.583 69.454 68.868 0.005 0.000 1.006 135 T HN 0.177 nan 8.240 nan 0.000 0.468 136 M N 0.901 120.534 119.600 0.054 0.000 2.202 136 M HA -0.112 4.369 4.480 0.000 0.000 0.262 136 M C 2.214 178.545 176.300 0.052 0.000 1.063 136 M CA 1.757 57.102 55.300 0.076 0.000 1.097 136 M CB -0.840 31.817 32.600 0.094 0.000 1.382 136 M HN 0.997 nan 8.290 nan 0.000 0.413 137 E N 0.661 120.879 120.200 0.031 0.000 2.070 137 E HA -0.254 4.096 4.350 0.000 0.000 0.197 137 E C 1.554 178.129 176.600 -0.042 0.000 1.004 137 E CA 1.807 58.209 56.400 0.003 0.000 0.805 137 E CB 0.015 29.716 29.700 0.002 0.000 0.744 137 E HN 0.571 nan 8.360 nan 0.000 0.451 138 E N -0.065 120.103 120.200 -0.055 0.000 2.153 138 E HA -0.150 4.200 4.350 0.000 0.000 0.194 138 E C 2.062 178.567 176.600 -0.159 0.000 0.988 138 E CA 1.106 57.444 56.400 -0.103 0.000 0.811 138 E CB -0.023 29.619 29.700 -0.095 0.000 0.746 138 E HN 0.429 nan 8.360 nan 0.000 0.466 139 I N 0.629 121.128 120.570 -0.118 0.000 2.617 139 I HA -0.127 4.043 4.170 0.000 0.000 0.256 139 I C 1.966 177.952 176.117 -0.219 0.000 1.167 139 I CA 0.462 61.657 61.300 -0.175 0.000 1.469 139 I CB 0.094 38.111 38.000 0.028 0.000 1.098 139 I HN -0.046 nan 8.210 nan 0.000 0.436 140 E N 1.084 121.227 120.200 -0.094 0.000 2.501 140 E HA -0.203 4.147 4.350 0.000 0.000 0.203 140 E C 1.264 177.791 176.600 -0.122 0.000 1.072 140 E CA 0.892 57.270 56.400 -0.038 0.000 0.885 140 E CB -0.109 29.590 29.700 -0.001 0.000 0.813 140 E HN 0.419 nan 8.360 nan 0.000 0.556 141 N N -2.805 115.725 118.700 -0.282 0.000 1.890 141 N HA 0.051 4.791 4.740 0.000 0.000 0.250 141 N C 0.889 176.207 175.510 -0.320 0.000 1.380 141 N CA 0.730 53.636 53.050 -0.241 0.000 0.755 141 N CB -0.254 38.113 38.487 -0.199 0.000 1.203 141 N HN 0.113 nan 8.380 nan 0.000 0.539 142 A N 0.079 122.567 122.820 -0.555 0.000 2.172 142 A HA 0.087 4.408 4.320 0.000 0.000 0.216 142 A C 0.634 177.942 177.584 -0.459 0.000 1.154 142 A CA 0.892 52.557 52.037 -0.621 0.000 0.701 142 A CB -0.550 17.830 19.000 -1.033 0.000 0.789 142 A HN 0.223 nan 8.150 nan 0.000 0.465 143 F N -0.373 119.418 119.950 -0.264 0.000 2.639 143 F HA 0.189 4.716 4.527 0.000 0.000 0.302 143 F C 1.855 177.555 175.800 -0.168 0.000 1.097 143 F CA -0.529 57.248 58.000 -0.371 0.000 1.294 143 F CB -0.384 37.946 39.000 -1.117 0.000 1.027 143 F HN 0.274 nan 8.300 nan 0.000 0.550 144 Q N 0.142 119.962 119.800 0.035 0.000 2.170 144 Q HA -0.100 4.240 4.340 0.000 0.000 0.203 144 Q C 2.410 178.489 176.000 0.130 0.000 0.976 144 Q CA 1.375 57.226 55.803 0.080 0.000 0.858 144 Q CB -0.422 28.333 28.738 0.028 0.000 0.907 144 Q HN 0.514 nan 8.270 nan 0.000 0.433 145 G N 0.251 109.127 108.800 0.127 0.000 2.679 145 G HA2 -0.090 3.870 3.960 0.000 0.000 0.212 145 G HA3 -0.090 3.870 3.960 0.000 0.000 0.212 145 G C 0.020 175.036 174.900 0.194 0.000 1.137 145 G CA 0.094 45.282 45.100 0.146 0.000 0.787 145 G HN 0.201 nan 8.290 nan 0.000 0.534 146 N N -0.904 117.954 118.700 0.262 0.000 2.295 146 N HA 0.616 5.356 4.740 0.000 0.000 0.293 146 N C -1.219 174.524 175.510 0.389 0.000 1.040 146 N CA -0.500 52.737 53.050 0.312 0.000 0.840 146 N CB 2.521 41.234 38.487 0.376 0.000 1.468 146 N HN -0.089 nan 8.380 nan 0.000 0.478 147 L N 1.020 122.430 121.223 0.311 0.000 2.346 147 L HA 0.695 5.035 4.340 0.000 0.000 0.276 147 L C -0.752 176.285 176.870 0.278 0.000 1.006 147 L CA -0.987 54.037 54.840 0.307 0.000 0.817 147 L CB 1.766 43.927 42.059 0.170 0.000 1.272 147 L HN 0.540 nan 8.230 nan 0.000 0.421 148 C N 2.204 121.658 119.300 0.258 0.000 2.507 148 C HA 0.546 5.007 4.460 0.000 0.000 0.319 148 C C 1.154 176.023 174.990 -0.202 0.000 1.208 148 C CA -0.491 58.518 59.018 -0.014 0.000 1.619 148 C CB 1.931 29.599 27.740 -0.120 0.000 2.230 148 C HN 1.005 nan 8.230 nan 0.000 0.492 149 R N 1.976 122.449 120.500 -0.046 0.000 2.206 149 R HA 0.235 4.575 4.340 0.000 0.000 0.198 149 R C 1.580 177.902 176.300 0.038 0.000 0.986 149 R CA 1.539 57.632 56.100 -0.013 0.000 1.029 149 R CB -0.531 29.832 30.300 0.104 0.000 0.966 149 R HN 0.874 nan 8.270 nan 0.000 0.487 150 C N -0.974 118.351 119.300 0.042 0.000 2.590 150 C HA 0.193 4.653 4.460 0.000 0.000 0.272 150 C C 2.096 177.065 174.990 -0.035 0.000 1.338 150 C CA 0.830 59.899 59.018 0.085 0.000 1.746 150 C CB -0.004 27.780 27.740 0.074 0.000 2.020 150 C HN 0.680 nan 8.230 nan 0.000 0.531 151 T N -3.077 111.373 114.554 -0.173 0.000 2.985 151 T HA 0.297 4.647 4.350 0.000 0.000 0.254 151 T C 1.553 176.134 174.700 -0.199 0.000 1.021 151 T CA 1.152 63.149 62.100 -0.172 0.000 0.957 151 T CB -0.086 68.674 68.868 -0.179 0.000 1.047 151 T HN 0.719 nan 8.240 nan 0.000 0.511 152 G N 1.006 109.599 108.800 -0.346 0.000 2.296 152 G HA2 -0.369 3.591 3.960 0.000 0.000 0.282 152 G HA3 -0.369 3.591 3.960 0.000 0.000 0.282 152 G C 0.572 175.418 174.900 -0.089 0.000 1.014 152 G CA 0.904 45.863 45.100 -0.235 0.000 0.812 152 G HN 0.762 nan 8.290 nan 0.000 0.508 153 Y N -3.203 117.007 120.300 -0.150 0.000 2.845 153 Y HA -0.407 4.143 4.550 0.000 0.000 0.477 153 Y C 2.371 178.257 175.900 -0.023 0.000 1.293 153 Y CA 2.199 60.153 58.100 -0.244 0.000 2.510 153 Y CB -1.500 36.729 38.460 -0.386 0.000 0.938 153 Y HN 0.460 nan 8.280 nan 0.000 0.515 154 R N 1.550 122.154 120.500 0.173 0.000 2.115 154 R HA -0.181 4.159 4.340 0.000 0.000 0.239 154 R C -1.128 175.229 176.300 0.095 0.000 1.133 154 R CA 2.612 58.796 56.100 0.141 0.000 0.935 154 R CB -1.361 28.952 30.300 0.022 0.000 0.853 154 R HN 0.343 nan 8.270 nan 0.000 0.433 155 P HA -0.156 nan 4.420 nan 0.000 0.217 155 P C 1.681 178.946 177.300 -0.058 0.000 1.148 155 P CA 1.359 64.459 63.100 0.000 0.000 0.828 155 P CB -0.257 31.419 31.700 -0.040 0.000 0.783 156 I N -0.694 119.850 120.570 -0.043 0.000 2.090 156 I HA -0.231 3.939 4.170 0.000 0.000 0.236 156 I C 2.621 178.632 176.117 -0.177 0.000 1.064 156 I CA 1.466 62.669 61.300 -0.162 0.000 1.324 156 I CB -0.865 37.149 38.000 0.022 0.000 1.044 156 I HN -0.126 nan 8.210 nan 0.000 0.399 157 L N 0.065 121.364 121.223 0.126 0.000 2.131 157 L HA -0.248 4.092 4.340 0.000 0.000 0.210 157 L C 2.648 179.634 176.870 0.193 0.000 1.092 157 L CA 1.357 56.334 54.840 0.228 0.000 0.759 157 L CB -0.494 41.748 42.059 0.306 0.000 0.903 157 L HN 0.425 nan 8.230 nan 0.000 0.435 158 Q N -0.386 119.504 119.800 0.149 0.000 2.212 158 Q HA -0.085 4.255 4.340 0.000 0.000 0.199 158 Q C 2.141 178.283 176.000 0.236 0.000 0.950 158 Q CA 1.060 56.988 55.803 0.208 0.000 0.863 158 Q CB 0.052 28.927 28.738 0.228 0.000 0.944 158 Q HN 0.501 nan 8.270 nan 0.000 0.465 159 G N 0.376 109.214 108.800 0.063 0.000 2.433 159 G HA2 -0.236 3.724 3.960 0.000 0.000 0.216 159 G HA3 -0.236 3.724 3.960 0.000 0.000 0.216 159 G C 0.886 175.901 174.900 0.191 0.000 1.186 159 G CA 0.576 45.683 45.100 0.011 0.000 0.779 159 G HN 0.320 nan 8.290 nan 0.000 0.543 160 F N 1.735 121.807 119.950 0.204 0.000 2.558 160 F HA 0.128 4.655 4.527 0.000 0.000 0.298 160 F C 2.563 178.516 175.800 0.255 0.000 1.119 160 F CA 0.202 58.369 58.000 0.278 0.000 1.451 160 F CB -0.561 38.687 39.000 0.412 0.000 1.091 160 F HN 0.227 nan 8.300 nan 0.000 0.563 161 R N 0.377 121.101 120.500 0.372 0.000 2.134 161 R HA -0.267 4.073 4.340 0.000 0.000 0.248 161 R C 2.117 178.556 176.300 0.232 0.000 1.143 161 R CA 2.194 58.460 56.100 0.277 0.000 0.957 161 R CB -1.720 28.711 30.300 0.218 0.000 0.867 161 R HN 0.192 nan 8.270 nan 0.000 0.441 162 T N -0.592 114.078 114.554 0.193 0.000 2.812 162 T HA -0.255 4.095 4.350 0.000 0.000 0.261 162 T C 1.018 175.737 174.700 0.032 0.000 1.031 162 T CA 1.971 64.126 62.100 0.092 0.000 1.158 162 T CB -0.453 68.475 68.868 0.100 0.000 0.836 162 T HN 0.482 nan 8.240 nan 0.000 0.488 163 F N 1.036 121.092 119.950 0.178 0.000 2.731 163 F HA 0.519 5.046 4.527 0.000 0.000 0.304 163 F C 0.977 176.817 175.800 0.066 0.000 1.133 163 F CA -0.232 57.829 58.000 0.101 0.000 1.380 163 F CB 0.216 39.245 39.000 0.049 0.000 1.079 163 F HN 0.220 nan 8.300 nan 0.000 0.550 164 A N 0.823 123.775 122.820 0.221 0.000 2.385 164 A HA 0.844 5.164 4.320 0.000 0.000 0.290 164 A C -0.286 177.361 177.584 0.105 0.000 1.094 164 A CA -0.445 51.685 52.037 0.154 0.000 0.729 164 A CB 1.100 20.189 19.000 0.148 0.000 1.194 164 A HN 0.308 nan 8.150 nan 0.000 0.442 194 S N 0.297 115.959 115.700 -0.063 0.000 2.580 194 S HA 0.296 4.766 4.470 0.000 0.000 0.266 194 S C 1.332 176.092 174.600 0.267 0.000 1.354 194 S CA -0.252 58.013 58.200 0.109 0.000 1.008 194 S CB 0.585 63.765 63.200 -0.033 0.000 0.898 194 S HN 0.261 nan 8.310 nan 0.000 0.555 195 L N 1.359 122.694 121.223 0.187 0.000 2.307 195 L HA 0.294 4.634 4.340 0.000 0.000 0.211 195 L C -0.254 176.815 176.870 0.332 0.000 1.099 195 L CA 0.347 55.284 54.840 0.163 0.000 0.816 195 L CB -0.018 42.113 42.059 0.119 0.000 0.952 195 L HN 0.755 nan 8.230 nan 0.000 0.455 196 F N -2.449 117.564 119.950 0.104 0.000 2.688 196 F HA 0.409 4.936 4.527 0.000 0.000 0.308 196 F C -1.292 174.476 175.800 -0.053 0.000 1.117 196 F CA -1.508 56.528 58.000 0.060 0.000 0.976 196 F CB 0.826 39.871 39.000 0.075 0.000 1.291 196 F HN -0.340 nan 8.300 nan 0.000 0.439 197 K N 2.806 123.239 120.400 0.053 0.000 2.299 197 K HA 0.324 4.644 4.320 0.000 0.000 0.268 197 K C -2.634 173.761 176.600 -0.342 0.000 1.075 197 K CA -1.515 54.683 56.287 -0.149 0.000 0.936 197 K CB 1.708 34.164 32.500 -0.073 0.000 1.228 197 K HN 0.338 nan 8.250 nan 0.000 0.454 198 P HA -0.089 nan 4.420 nan 0.000 0.249 198 P C 0.534 177.458 177.300 -0.626 0.000 1.229 198 P CA 0.546 63.101 63.100 -0.908 0.000 0.788 198 P CB 0.272 31.711 31.700 -0.434 0.000 1.072 199 E N 0.415 120.427 120.200 -0.313 0.000 2.489 199 E HA -0.082 4.268 4.350 0.000 0.000 0.193 199 E C 1.237 177.783 176.600 -0.090 0.000 1.057 199 E CA 0.437 56.746 56.400 -0.152 0.000 0.866 199 E CB -0.303 29.337 29.700 -0.099 0.000 0.916 199 E HN 0.412 nan 8.360 nan 0.000 0.500 200 E N 1.058 121.193 120.200 -0.109 0.000 2.489 200 E HA 0.045 4.395 4.350 0.000 0.000 0.204 200 E C 0.036 176.741 176.600 0.174 0.000 1.006 200 E CA -0.518 55.898 56.400 0.026 0.000 0.936 200 E CB -0.214 29.506 29.700 0.032 0.000 1.002 200 E HN 0.147 nan 8.360 nan 0.000 0.488 201 F N 3.225 123.194 119.950 0.032 0.000 2.629 201 F HA -0.054 4.473 4.527 0.000 0.000 0.369 201 F C 1.211 177.017 175.800 0.009 0.000 1.125 201 F CA 0.420 58.431 58.000 0.018 0.000 1.330 201 F CB 0.618 39.617 39.000 -0.002 0.000 1.071 201 F HN -0.042 nan 8.300 nan 0.000 0.595 202 T N 1.161 115.808 114.554 0.155 0.000 2.869 202 T HA 0.231 4.581 4.350 0.000 0.000 0.295 202 T C -1.982 172.749 174.700 0.051 0.000 0.987 202 T CA -1.617 60.529 62.100 0.076 0.000 1.109 202 T CB 1.655 70.549 68.868 0.042 0.000 0.932 202 T HN 0.290 nan 8.240 nan 0.000 0.518 203 P HA 0.259 nan 4.420 nan 0.000 0.217 203 P C 0.112 177.444 177.300 0.053 0.000 1.153 203 P CA -0.091 63.043 63.100 0.057 0.000 0.843 203 P CB -0.032 31.696 31.700 0.047 0.000 0.794 204 L N -0.373 120.859 121.223 0.016 0.000 1.581 204 L HA -0.051 4.289 4.340 0.000 0.000 0.585 204 L C -1.732 175.139 176.870 0.002 0.000 0.999 204 L CA -0.162 54.676 54.840 -0.003 0.000 1.246 204 L CB -1.156 40.945 42.059 0.069 0.000 2.080 204 L HN -0.052 nan 8.230 nan 0.000 1.066 205 D N 7.200 127.586 120.400 -0.024 0.000 2.469 205 D HA 0.638 5.278 4.640 0.000 0.000 0.251 205 D C -2.232 174.057 176.300 -0.018 0.000 1.173 205 D CA -1.786 52.207 54.000 -0.012 0.000 0.882 205 D CB 1.800 42.596 40.800 -0.006 0.000 1.129 205 D HN 0.304 nan 8.370 nan 0.000 0.549 206 P HA 0.102 nan 4.420 nan 0.000 0.257 206 P C 0.989 178.282 177.300 -0.012 0.000 1.281 206 P CA 0.259 63.344 63.100 -0.025 0.000 0.826 206 P CB 0.267 31.939 31.700 -0.046 0.000 1.237 207 T N -4.366 110.186 114.554 -0.004 0.000 3.160 207 T HA -0.018 4.332 4.350 0.000 0.000 0.257 207 T C 1.469 176.177 174.700 0.013 0.000 1.147 207 T CA 0.737 62.840 62.100 0.004 0.000 1.064 207 T CB -0.399 68.472 68.868 0.005 0.000 0.949 207 T HN -0.131 nan 8.240 nan 0.000 0.526 208 Q N 0.552 120.363 119.800 0.018 0.000 2.179 208 Q HA 0.301 4.641 4.340 0.000 0.000 0.213 208 Q C 0.080 176.115 176.000 0.059 0.000 0.833 208 Q CA -0.129 55.692 55.803 0.030 0.000 0.990 208 Q CB 0.330 29.079 28.738 0.019 0.000 1.132 208 Q HN 0.539 nan 8.270 nan 0.000 0.493 209 E N 1.049 121.291 120.200 0.071 0.000 2.369 209 E HA 0.264 4.614 4.350 0.000 0.000 0.255 209 E C -1.971 174.678 176.600 0.081 0.000 1.172 209 E CA -1.644 54.825 56.400 0.116 0.000 0.932 209 E CB -0.157 29.610 29.700 0.111 0.000 1.040 209 E HN 0.136 nan 8.360 nan 0.000 0.454 210 P HA 0.254 nan 4.420 nan 0.000 0.282 210 P C -0.185 177.151 177.300 0.060 0.000 1.249 210 P CA -0.493 62.641 63.100 0.055 0.000 0.806 210 P CB 1.040 32.764 31.700 0.039 0.000 0.984 211 I N 3.175 123.772 120.570 0.046 0.000 2.581 211 I HA 0.205 4.375 4.170 0.000 0.000 0.288 211 I C -0.549 175.617 176.117 0.082 0.000 1.047 211 I CA -0.828 60.511 61.300 0.065 0.000 1.374 211 I CB 0.422 38.442 38.000 0.034 0.000 1.423 211 I HN 0.241 nan 8.210 nan 0.000 0.549 212 F N 9.403 129.344 119.950 -0.015 0.000 2.533 212 F HA 0.339 4.866 4.527 0.000 0.000 0.378 212 F C -1.901 173.825 175.800 -0.122 0.000 1.070 212 F CA -1.720 56.253 58.000 -0.046 0.000 1.172 212 F CB 0.019 39.011 39.000 -0.013 0.000 1.085 212 F HN 0.344 nan 8.300 nan 0.000 0.552 213 P HA 0.029 nan 4.420 nan 0.000 0.264 213 P C -2.177 174.825 177.300 -0.497 0.000 1.193 213 P CA -0.881 61.828 63.100 -0.653 0.000 0.763 213 P CB 0.225 31.264 31.700 -1.101 0.000 0.810 214 P HA -0.067 nan 4.420 nan 0.000 0.236 214 P C 1.142 178.332 177.300 -0.185 0.000 1.177 214 P CA 0.815 63.820 63.100 -0.159 0.000 0.773 214 P CB 0.211 31.862 31.700 -0.081 0.000 0.878 215 E N 0.265 120.319 120.200 -0.243 0.000 2.107 215 E HA -0.053 4.297 4.350 0.000 0.000 0.191 215 E C 0.778 177.254 176.600 -0.208 0.000 0.982 215 E CA 0.271 56.574 56.400 -0.162 0.000 0.809 215 E CB -0.341 29.351 29.700 -0.014 0.000 0.756 215 E HN 0.172 nan 8.360 nan 0.000 0.459 216 L N 0.722 121.711 121.223 -0.389 0.000 2.474 216 L HA -0.000 4.340 4.340 0.000 0.000 0.259 216 L C 1.351 178.099 176.870 -0.204 0.000 1.232 216 L CA 0.100 54.753 54.840 -0.312 0.000 0.821 216 L CB 0.308 42.138 42.059 -0.382 0.000 1.108 216 L HN 0.371 nan 8.230 nan 0.000 0.495 217 L N -1.929 119.204 121.223 -0.150 0.000 2.365 217 L HA -0.298 4.042 4.340 0.000 0.000 0.460 217 L C 2.137 178.917 176.870 -0.150 0.000 0.704 217 L CA 0.994 55.727 54.840 -0.178 0.000 3.226 217 L CB -0.846 41.152 42.059 -0.101 0.000 0.636 217 L HN 0.679 nan 8.230 nan 0.000 0.771 218 R N -0.021 120.412 120.500 -0.113 0.000 2.148 218 R HA 0.001 4.341 4.340 0.000 0.000 0.223 218 R C 1.697 177.958 176.300 -0.065 0.000 1.088 218 R CA 0.905 56.959 56.100 -0.075 0.000 0.985 218 R CB 0.146 30.415 30.300 -0.053 0.000 0.880 218 R HN 0.210 nan 8.270 nan 0.000 0.451 219 L N 1.104 122.274 121.223 -0.089 0.000 1.883 219 L HA -0.159 4.181 4.340 0.000 0.000 0.221 219 L C 1.678 178.530 176.870 -0.030 0.000 1.122 219 L CA 1.951 56.756 54.840 -0.058 0.000 1.006 219 L CB -1.170 40.804 42.059 -0.142 0.000 0.960 219 L HN 0.191 nan 8.230 nan 0.000 0.533 220 K N -1.230 119.166 120.400 -0.007 0.000 3.288 220 K HA -0.308 4.012 4.320 0.000 0.000 0.301 220 K C 0.705 177.327 176.600 0.037 0.000 1.161 220 K CA 2.125 58.429 56.287 0.029 0.000 0.958 220 K CB -1.066 31.341 32.500 -0.155 0.000 1.298 220 K HN 0.505 nan 8.250 nan 0.000 0.408 221 D N -0.071 120.336 120.400 0.011 0.000 3.094 221 D HA 0.028 4.668 4.640 0.000 0.000 0.267 221 D C -0.175 176.136 176.300 0.019 0.000 1.542 221 D CA 1.003 55.011 54.000 0.012 0.000 1.157 221 D CB -0.469 40.329 40.800 -0.004 0.000 1.098 221 D HN 0.203 nan 8.370 nan 0.000 0.340 222 T N 5.017 119.583 114.554 0.020 0.000 2.409 222 T HA -0.003 4.347 4.350 0.000 0.000 0.211 222 T C -2.019 172.703 174.700 0.036 0.000 1.195 222 T CA -0.286 61.833 62.100 0.031 0.000 3.342 222 T CB -0.767 68.126 68.868 0.041 0.000 0.851 222 T HN 0.143 nan 8.240 nan 0.000 0.302 223 P HA 0.265 nan 4.420 nan 0.000 0.276 223 P C 0.114 177.405 177.300 -0.016 0.000 1.252 223 P CA -0.891 62.208 63.100 -0.002 0.000 0.802 223 P CB 0.804 32.502 31.700 -0.004 0.000 1.035 224 R N 0.924 121.383 120.500 -0.069 0.000 2.594 224 R HA 0.441 4.781 4.340 0.000 0.000 0.272 224 R C 0.288 176.583 176.300 -0.008 0.000 1.074 224 R CA -0.542 55.499 56.100 -0.098 0.000 1.105 224 R CB -0.011 30.113 30.300 -0.294 0.000 1.008 224 R HN 0.490 nan 8.270 nan 0.000 0.472 225 K N -0.052 120.379 120.400 0.050 0.000 2.400 225 K HA 0.182 4.502 4.320 0.000 0.000 0.246 225 K C -0.891 175.791 176.600 0.137 0.000 0.995 225 K CA -1.169 55.162 56.287 0.073 0.000 0.840 225 K CB 1.205 33.738 32.500 0.056 0.000 1.293 225 K HN 0.646 nan 8.250 nan 0.000 0.445 226 Q N 1.456 121.323 119.800 0.111 0.000 2.394 226 Q HA 0.289 4.629 4.340 0.000 0.000 0.248 226 Q C -1.030 174.993 176.000 0.037 0.000 0.992 226 Q CA -0.476 55.394 55.803 0.110 0.000 0.888 226 Q CB 0.637 29.400 28.738 0.042 0.000 1.257 226 Q HN 0.589 nan 8.270 nan 0.000 0.462 227 L N 2.057 123.253 121.223 -0.044 0.000 2.362 227 L HA 0.631 4.971 4.340 0.000 0.000 0.271 227 L C -0.305 176.334 176.870 -0.385 0.000 1.002 227 L CA -0.938 53.769 54.840 -0.222 0.000 0.818 227 L CB 2.152 44.002 42.059 -0.348 0.000 1.298 227 L HN 0.759 nan 8.230 nan 0.000 0.420 228 R N 2.585 122.850 120.500 -0.392 0.000 2.513 228 R HA 0.570 4.910 4.340 0.000 0.000 0.301 228 R C -1.963 174.168 176.300 -0.282 0.000 0.968 228 R CA -0.377 55.532 56.100 -0.318 0.000 0.872 228 R CB 1.429 31.652 30.300 -0.127 0.000 1.177 228 R HN 0.470 nan 8.270 nan 0.000 0.444 229 F N 1.918 121.919 119.950 0.085 0.000 2.480 229 F HA 0.397 4.924 4.527 0.000 0.000 0.329 229 F C 0.204 176.038 175.800 0.056 0.000 1.091 229 F CA -0.987 57.038 58.000 0.042 0.000 0.972 229 F CB 2.409 41.414 39.000 0.007 0.000 1.150 229 F HN 0.388 nan 8.300 nan 0.000 0.467 230 E N 0.774 121.115 120.200 0.234 0.000 2.187 230 E HA 0.501 4.851 4.350 0.000 0.000 0.268 230 E C -0.086 176.579 176.600 0.109 0.000 0.896 230 E CA -0.453 56.035 56.400 0.147 0.000 0.766 230 E CB 2.104 31.864 29.700 0.100 0.000 1.142 230 E HN 0.756 nan 8.360 nan 0.000 0.408 231 G N 1.361 110.223 108.800 0.102 0.000 2.890 231 G HA2 0.121 4.081 3.960 0.000 0.000 0.189 231 G HA3 0.121 4.081 3.960 0.000 0.000 0.189 231 G C 0.189 175.134 174.900 0.075 0.000 1.342 231 G CA -0.239 44.909 45.100 0.079 0.000 1.026 231 G HN 0.580 nan 8.290 nan 0.000 0.579 232 E N -1.653 118.594 120.200 0.078 0.000 2.447 232 E HA 0.229 4.579 4.350 0.000 0.000 0.204 232 E C 1.805 178.450 176.600 0.076 0.000 0.977 232 E CA -0.040 56.408 56.400 0.080 0.000 0.950 232 E CB 0.307 30.070 29.700 0.105 0.000 0.975 232 E HN 0.359 nan 8.360 nan 0.000 0.496 233 R N -1.112 119.436 120.500 0.081 0.000 2.729 233 R HA 0.206 4.546 4.340 0.000 0.000 0.215 233 R C -0.511 175.841 176.300 0.087 0.000 0.970 233 R CA 0.145 56.292 56.100 0.077 0.000 1.196 233 R CB 1.724 32.074 30.300 0.083 0.000 1.670 233 R HN -0.126 nan 8.270 nan 0.000 0.575 234 V N 1.305 121.282 119.914 0.105 0.000 2.864 234 V HA 0.483 4.603 4.120 0.000 0.000 0.314 234 V C -0.241 175.937 176.094 0.139 0.000 1.073 234 V CA -0.550 61.827 62.300 0.128 0.000 0.956 234 V CB 2.197 34.117 31.823 0.162 0.000 1.023 234 V HN 0.014 nan 8.190 nan 0.000 0.435 235 T N 3.130 117.767 114.554 0.138 0.000 2.824 235 T HA 0.402 4.752 4.350 0.000 0.000 0.282 235 T C -1.257 173.553 174.700 0.183 0.000 0.993 235 T CA -0.254 61.931 62.100 0.142 0.000 0.967 235 T CB 1.249 70.157 68.868 0.066 0.000 0.960 235 T HN 0.714 nan 8.240 nan 0.000 0.441 236 W N 5.467 126.778 121.300 0.019 0.000 2.538 236 W HA 0.629 5.289 4.660 0.000 0.000 0.322 236 W C -2.096 174.352 176.519 -0.119 0.000 1.028 236 W CA -1.087 56.252 57.345 -0.011 0.000 1.228 236 W CB 0.665 30.188 29.460 0.104 0.000 1.356 236 W HN 0.518 nan 8.180 nan 0.000 0.452 237 I N 5.191 125.573 120.570 -0.313 0.000 2.382 237 I HA 0.047 4.217 4.170 0.000 0.000 0.286 237 I C -0.036 175.791 176.117 -0.484 0.000 1.002 237 I CA -0.530 60.581 61.300 -0.315 0.000 1.135 237 I CB 1.924 39.775 38.000 -0.248 0.000 1.288 237 I HN 0.275 nan 8.210 nan 0.000 0.448 238 Q N 5.795 125.377 119.800 -0.364 0.000 2.349 238 Q HA 0.625 4.965 4.340 0.000 0.000 0.254 238 Q C -0.613 175.235 176.000 -0.253 0.000 0.980 238 Q CA -0.300 55.258 55.803 -0.409 0.000 0.924 238 Q CB 1.331 29.850 28.738 -0.366 0.000 1.209 238 Q HN 0.719 nan 8.270 nan 0.000 0.445 239 A N 2.767 125.465 122.820 -0.203 0.000 2.279 239 A HA 0.555 4.875 4.320 0.000 0.000 0.303 239 A C 0.567 178.242 177.584 0.151 0.000 1.108 239 A CA 0.159 52.176 52.037 -0.032 0.000 0.830 239 A CB 0.877 19.838 19.000 -0.065 0.000 1.106 239 A HN 0.960 nan 8.150 nan 0.000 0.493 240 S N -0.445 115.356 115.700 0.169 0.000 2.727 240 S HA 0.159 4.629 4.470 0.000 0.000 0.249 240 S C 0.863 175.538 174.600 0.124 0.000 1.079 240 S CA 0.891 59.236 58.200 0.241 0.000 0.912 240 S CB -0.486 62.851 63.200 0.229 0.000 0.861 240 S HN 1.402 nan 8.310 nan 0.000 0.484 241 T N 0.064 114.660 114.554 0.071 0.000 2.937 241 T HA 0.604 4.954 4.350 0.000 0.000 0.283 241 T C 0.879 175.595 174.700 0.027 0.000 1.012 241 T CA -0.437 61.687 62.100 0.039 0.000 0.997 241 T CB 1.305 70.185 68.868 0.021 0.000 1.136 241 T HN 0.123 nan 8.240 nan 0.000 0.551 242 L N 1.414 122.645 121.223 0.013 0.000 2.072 242 L HA 0.274 4.614 4.340 0.000 0.000 0.205 242 L C 2.663 179.531 176.870 -0.004 0.000 1.079 242 L CA 1.876 56.717 54.840 0.001 0.000 0.752 242 L CB -1.024 41.032 42.059 -0.005 0.000 0.906 242 L HN 0.902 nan 8.230 nan 0.000 0.436 243 K N 0.219 120.618 120.400 -0.002 0.000 2.032 243 K HA -0.289 4.031 4.320 0.000 0.000 0.218 243 K C 1.800 178.397 176.600 -0.004 0.000 1.054 243 K CA 2.499 58.784 56.287 -0.004 0.000 0.941 243 K CB -0.322 32.177 32.500 -0.002 0.000 0.720 243 K HN 0.693 nan 8.250 nan 0.000 0.449 244 E N 0.503 120.703 120.200 -0.001 0.000 2.333 244 E HA -0.202 4.148 4.350 0.000 0.000 0.198 244 E C 2.062 178.651 176.600 -0.020 0.000 1.007 244 E CA 0.811 57.208 56.400 -0.006 0.000 0.845 244 E CB -0.222 29.477 29.700 -0.001 0.000 0.766 244 E HN 0.272 nan 8.360 nan 0.000 0.507 245 L N 1.023 122.233 121.223 -0.022 0.000 2.034 245 L HA -0.034 4.306 4.340 0.000 0.000 0.203 245 L C 2.179 179.030 176.870 -0.031 0.000 1.074 245 L CA 1.426 56.243 54.840 -0.038 0.000 0.748 245 L CB -0.451 41.584 42.059 -0.040 0.000 0.905 245 L HN 0.098 nan 8.230 nan 0.000 0.439 246 L N -0.176 121.033 121.223 -0.023 0.000 2.127 246 L HA -0.216 4.124 4.340 0.000 0.000 0.211 246 L C 2.142 179.005 176.870 -0.012 0.000 1.089 246 L CA 1.269 56.097 54.840 -0.020 0.000 0.757 246 L CB -0.624 41.424 42.059 -0.018 0.000 0.899 246 L HN 0.364 nan 8.230 nan 0.000 0.434 247 D N -0.729 119.667 120.400 -0.007 0.000 2.137 247 D HA -0.127 4.513 4.640 0.000 0.000 0.202 247 D C 1.986 178.295 176.300 0.015 0.000 0.970 247 D CA 0.673 54.674 54.000 0.002 0.000 0.837 247 D CB -0.051 40.751 40.800 0.004 0.000 0.981 247 D HN 0.084 nan 8.370 nan 0.000 0.475 248 L N 1.680 122.907 121.223 0.006 0.000 1.970 248 L HA -0.142 4.198 4.340 0.000 0.000 0.212 248 L C 1.799 178.699 176.870 0.050 0.000 1.071 248 L CA 1.919 56.771 54.840 0.019 0.000 0.751 248 L CB -0.977 41.062 42.059 -0.034 0.000 0.889 248 L HN -0.176 nan 8.230 nan 0.000 0.432 249 K N -0.119 120.286 120.400 0.009 0.000 2.160 249 K HA -0.108 4.212 4.320 0.000 0.000 0.206 249 K C 1.982 178.592 176.600 0.017 0.000 1.047 249 K CA 1.403 57.697 56.287 0.010 0.000 0.930 249 K CB -0.379 32.109 32.500 -0.020 0.000 0.720 249 K HN 0.561 nan 8.250 nan 0.000 0.450 250 A N 1.268 124.093 122.820 0.008 0.000 1.929 250 A HA -0.163 4.157 4.320 0.000 0.000 0.216 250 A C 1.895 179.468 177.584 -0.017 0.000 1.176 250 A CA 1.394 53.426 52.037 -0.007 0.000 0.628 250 A CB -0.289 18.705 19.000 -0.010 0.000 0.816 250 A HN 0.523 nan 8.150 nan 0.000 0.444 251 Q N -1.650 118.150 119.800 0.001 0.000 2.360 251 Q HA 0.054 4.394 4.340 0.000 0.000 0.202 251 Q C -0.488 175.360 176.000 -0.253 0.000 0.915 251 Q CA 0.358 56.115 55.803 -0.077 0.000 0.943 251 Q CB 0.056 28.774 28.738 -0.033 0.000 1.064 251 Q HN 0.699 nan 8.270 nan 0.000 0.511 252 H N -0.114 118.944 119.070 -0.021 0.000 2.696 252 H HA 0.190 4.746 4.556 0.000 0.000 0.221 252 H C -2.393 172.923 175.328 -0.020 0.000 1.399 252 H CA -1.321 54.717 56.048 -0.018 0.000 1.408 252 H CB 1.738 31.487 29.762 -0.020 0.000 1.853 252 H HN 0.202 nan 8.280 nan 0.000 0.546 253 P HA -0.106 nan 4.420 nan 0.000 0.226 253 P C 1.187 178.502 177.300 0.026 0.000 1.153 253 P CA 0.947 64.060 63.100 0.021 0.000 0.777 253 P CB 0.293 31.989 31.700 -0.007 0.000 0.794 254 D N -0.909 119.520 120.400 0.048 0.000 2.340 254 D HA 0.056 4.696 4.640 0.000 0.000 0.220 254 D C 0.588 176.930 176.300 0.069 0.000 1.039 254 D CA -0.118 53.918 54.000 0.059 0.000 0.866 254 D CB -0.614 40.225 40.800 0.065 0.000 0.913 254 D HN 0.011 nan 8.370 nan 0.000 0.523 255 A N 0.523 123.372 122.820 0.049 0.000 2.477 255 A HA 0.317 4.637 4.320 0.000 0.000 0.246 255 A C 0.207 177.767 177.584 -0.039 0.000 1.078 255 A CA -0.272 51.768 52.037 0.005 0.000 0.770 255 A CB 0.424 19.413 19.000 -0.018 0.000 1.011 255 A HN 0.079 nan 8.150 nan 0.000 0.494 256 K N 2.543 122.895 120.400 -0.081 0.000 2.235 256 K HA 0.514 4.834 4.320 0.000 0.000 0.266 256 K C -0.853 175.621 176.600 -0.209 0.000 0.980 256 K CA -0.295 55.900 56.287 -0.154 0.000 0.849 256 K CB 0.734 33.074 32.500 -0.266 0.000 1.098 256 K HN 0.601 nan 8.250 nan 0.000 0.445 257 L N 4.875 125.981 121.223 -0.195 0.000 2.418 257 L HA 0.263 4.603 4.340 0.000 0.000 0.274 257 L C -0.484 176.252 176.870 -0.224 0.000 1.135 257 L CA -0.692 54.023 54.840 -0.209 0.000 0.870 257 L CB 0.750 42.718 42.059 -0.151 0.000 1.154 257 L HN 0.365 nan 8.230 nan 0.000 0.462 258 V N 5.125 124.878 119.914 -0.267 0.000 2.513 258 V HA 0.346 4.466 4.120 0.000 0.000 0.299 258 V C 0.555 176.563 176.094 -0.143 0.000 1.035 258 V CA -0.386 61.802 62.300 -0.187 0.000 0.889 258 V CB 2.148 33.882 31.823 -0.149 0.000 0.988 258 V HN 0.631 nan 8.190 nan 0.000 0.440 259 V N 3.206 123.080 119.914 -0.067 0.000 3.671 259 V HA 0.267 4.387 4.120 0.000 0.000 0.202 259 V C 2.023 178.127 176.094 0.016 0.000 1.188 259 V CA 1.237 63.515 62.300 -0.036 0.000 1.325 259 V CB -0.326 31.469 31.823 -0.046 0.000 1.470 259 V HN 0.868 nan 8.190 nan 0.000 0.520 260 G N -0.504 108.303 108.800 0.012 0.000 2.494 260 G HA2 -0.113 3.847 3.960 0.000 0.000 0.216 260 G HA3 -0.113 3.847 3.960 0.000 0.000 0.216 260 G C 0.827 175.756 174.900 0.049 0.000 1.140 260 G CA 0.979 46.097 45.100 0.031 0.000 0.801 260 G HN 0.653 nan 8.290 nan 0.000 0.536 261 N N -0.641 118.085 118.700 0.042 0.000 2.909 261 N HA -0.234 4.506 4.740 0.000 0.000 0.242 261 N C 1.373 176.910 175.510 0.044 0.000 0.975 261 N CA 2.078 55.160 53.050 0.053 0.000 0.921 261 N CB -1.899 36.643 38.487 0.092 0.000 1.112 261 N HN 0.387 nan 8.380 nan 0.000 0.581 262 T N -3.867 110.711 114.554 0.039 0.000 3.163 262 T HA 0.087 4.437 4.350 0.000 0.000 0.260 262 T C 1.221 175.933 174.700 0.020 0.000 1.156 262 T CA 1.325 63.448 62.100 0.037 0.000 1.072 262 T CB 0.296 69.195 68.868 0.052 0.000 0.937 262 T HN 0.341 nan 8.240 nan 0.000 0.528 263 E N 0.882 121.091 120.200 0.015 0.000 2.538 263 E HA 0.252 4.602 4.350 0.000 0.000 0.188 263 E C 1.986 178.595 176.600 0.014 0.000 1.014 263 E CA -0.217 56.187 56.400 0.006 0.000 1.140 263 E CB -0.336 29.363 29.700 -0.001 0.000 1.262 263 E HN 0.231 nan 8.360 nan 0.000 0.488 264 I N 1.585 122.155 120.570 0.000 0.000 2.145 264 I HA -0.241 3.929 4.170 0.000 0.000 0.244 264 I C 2.332 178.500 176.117 0.085 0.000 1.075 264 I CA 1.912 63.221 61.300 0.014 0.000 1.332 264 I CB -1.830 36.126 38.000 -0.073 0.000 1.033 264 I HN 0.307 nan 8.210 nan 0.000 0.410 265 G N 1.740 110.583 108.800 0.071 0.000 2.513 265 G HA2 -0.256 3.704 3.960 0.000 0.000 0.219 265 G HA3 -0.256 3.704 3.960 0.000 0.000 0.219 265 G C 1.618 176.572 174.900 0.089 0.000 1.160 265 G CA 0.743 45.897 45.100 0.090 0.000 0.767 265 G HN 0.237 nan 8.290 nan 0.000 0.571 266 I N 1.155 121.736 120.570 0.018 0.000 2.202 266 I HA -0.072 4.098 4.170 0.000 0.000 0.242 266 I C 2.658 178.808 176.117 0.054 0.000 1.091 266 I CA 1.010 62.258 61.300 -0.087 0.000 1.368 266 I CB -1.353 36.540 38.000 -0.178 0.000 1.058 266 I HN 0.372 nan 8.210 nan 0.000 0.410 267 E N 0.304 120.568 120.200 0.107 0.000 2.051 267 E HA -0.199 4.151 4.350 0.000 0.000 0.192 267 E C 2.295 179.031 176.600 0.226 0.000 0.991 267 E CA 1.191 57.696 56.400 0.175 0.000 0.799 267 E CB -0.161 29.668 29.700 0.215 0.000 0.748 267 E HN 0.430 nan 8.360 nan 0.000 0.449 268 M N 0.465 120.213 119.600 0.246 0.000 2.229 268 M HA -0.122 4.358 4.480 0.000 0.000 0.264 268 M C 2.348 178.780 176.300 0.221 0.000 1.063 268 M CA 1.155 56.596 55.300 0.236 0.000 1.114 268 M CB -0.121 32.623 32.600 0.241 0.000 1.387 268 M HN -0.061 nan 8.290 nan 0.000 0.420 269 K N -0.058 120.516 120.400 0.290 0.000 2.137 269 K HA -0.049 4.271 4.320 0.000 0.000 0.202 269 K C 1.067 177.902 176.600 0.391 0.000 1.052 269 K CA 1.258 57.758 56.287 0.354 0.000 0.961 269 K CB 0.300 33.093 32.500 0.487 0.000 0.741 269 K HN 0.109 nan 8.250 nan 0.000 0.452 270 F N 0.220 120.221 119.950 0.085 0.000 2.752 270 F HA 0.300 4.827 4.527 0.000 0.000 0.310 270 F C 0.093 175.940 175.800 0.078 0.000 1.097 270 F CA -0.056 57.992 58.000 0.080 0.000 1.238 270 F CB 0.765 39.814 39.000 0.082 0.000 1.061 270 F HN -0.255 nan 8.300 nan 0.000 0.591 271 K N 1.097 121.664 120.400 0.279 0.000 3.122 271 K HA 0.175 4.495 4.320 0.000 0.000 0.193 271 K C -0.045 176.633 176.600 0.130 0.000 1.141 271 K CA -0.244 56.153 56.287 0.182 0.000 0.975 271 K CB -0.176 32.423 32.500 0.165 0.000 1.173 271 K HN 0.011 nan 8.250 nan 0.000 0.546 272 N N 2.281 121.051 118.700 0.116 0.000 2.695 272 N HA -0.202 4.538 4.740 0.000 0.000 0.271 272 N C -0.103 175.433 175.510 0.043 0.000 1.084 272 N CA 0.999 54.097 53.050 0.081 0.000 0.891 272 N CB -0.240 38.282 38.487 0.058 0.000 1.006 272 N HN 0.440 nan 8.380 nan 0.000 0.617 273 M N 0.538 120.158 119.600 0.033 0.000 2.240 273 M HA 0.188 4.668 4.480 0.000 0.000 0.333 273 M C 0.180 176.395 176.300 -0.142 0.000 1.110 273 M CA -0.002 55.239 55.300 -0.097 0.000 1.173 273 M CB 0.995 33.501 32.600 -0.155 0.000 1.458 273 M HN -0.002 nan 8.290 nan 0.000 0.458 274 L N 3.017 124.054 121.223 -0.310 0.000 2.491 274 L HA 0.552 4.892 4.340 0.000 0.000 0.267 274 L C -2.124 174.600 176.870 -0.244 0.000 0.971 274 L CA -0.007 54.739 54.840 -0.157 0.000 0.857 274 L CB 0.968 43.001 42.059 -0.045 0.000 1.226 274 L HN 0.466 nan 8.230 nan 0.000 0.408 275 F N 6.043 126.026 119.950 0.054 0.000 2.427 275 F HA 0.651 5.178 4.527 0.000 0.000 0.346 275 F C -1.537 174.291 175.800 0.047 0.000 1.120 275 F CA -1.391 56.635 58.000 0.042 0.000 1.033 275 F CB 1.366 40.388 39.000 0.036 0.000 1.126 275 F HN 0.425 nan 8.300 nan 0.000 0.462 276 P HA 0.112 nan 4.420 nan 0.000 0.259 276 P C -0.151 177.213 177.300 0.107 0.000 1.233 276 P CA 0.557 63.730 63.100 0.122 0.000 0.827 276 P CB 0.882 32.628 31.700 0.076 0.000 1.154 277 M N 0.799 120.459 119.600 0.100 0.000 2.106 277 M HA 0.384 4.864 4.480 0.000 0.000 0.288 277 M C -1.618 174.675 176.300 -0.012 0.000 0.941 277 M CA -0.661 54.659 55.300 0.034 0.000 0.934 277 M CB 1.566 34.157 32.600 -0.014 0.000 1.551 277 M HN -0.272 nan 8.290 nan 0.000 0.437 278 I N 4.030 124.568 120.570 -0.053 0.000 2.530 278 I HA 0.575 4.745 4.170 0.000 0.000 0.297 278 I C -0.776 175.111 176.117 -0.383 0.000 1.011 278 I CA -1.076 60.106 61.300 -0.197 0.000 1.107 278 I CB 2.126 40.003 38.000 -0.206 0.000 1.285 278 I HN 0.353 nan 8.210 nan 0.000 0.436 279 V N 5.957 125.617 119.914 -0.424 0.000 2.604 279 V HA 0.476 4.596 4.120 0.000 0.000 0.305 279 V C -1.019 174.734 176.094 -0.569 0.000 1.043 279 V CA -0.402 61.600 62.300 -0.496 0.000 0.888 279 V CB 1.819 33.457 31.823 -0.308 0.000 0.995 279 V HN 0.963 nan 8.190 nan 0.000 0.429 280 C N 9.552 128.427 119.300 -0.708 0.000 2.301 280 C HA 0.792 5.252 4.460 0.000 0.000 0.323 280 C C -1.862 172.911 174.990 -0.360 0.000 1.265 280 C CA -1.494 57.183 59.018 -0.568 0.000 1.503 280 C CB 1.302 28.562 27.740 -0.799 0.000 2.195 280 C HN 0.856 nan 8.230 nan 0.000 0.477 281 P HA 0.310 nan 4.420 nan 0.000 0.251 281 P C 0.948 178.198 177.300 -0.082 0.000 1.289 281 P CA 2.676 65.702 63.100 -0.124 0.000 0.676 281 P CB 0.135 31.781 31.700 -0.089 0.000 1.294 282 A N -3.570 119.242 122.820 -0.014 0.000 3.995 282 A HA -0.187 4.133 4.320 0.000 0.000 0.247 282 A C 1.438 179.136 177.584 0.191 0.000 0.802 282 A CA 1.567 53.620 52.037 0.026 0.000 1.413 282 A CB -3.007 15.961 19.000 -0.053 0.000 1.038 282 A HN 0.376 nan 8.150 nan 0.000 0.728 283 W N 0.669 121.969 121.300 -0.000 0.000 3.211 283 W HA 0.399 5.059 4.660 0.000 0.000 0.292 283 W C 0.508 177.022 176.519 -0.008 0.000 1.268 283 W CA -0.129 57.222 57.345 0.010 0.000 1.702 283 W CB 0.128 29.603 29.460 0.025 0.000 1.092 283 W HN 0.328 nan 8.180 nan 0.000 0.643 284 I N 3.644 124.325 120.570 0.184 0.000 2.363 284 I HA 0.055 4.225 4.170 0.000 0.000 0.292 284 I C -1.052 175.093 176.117 0.046 0.000 1.075 284 I CA -1.655 59.702 61.300 0.095 0.000 1.333 284 I CB 0.262 38.294 38.000 0.054 0.000 1.415 284 I HN -0.338 nan 8.210 nan 0.000 0.502 285 P HA -0.205 nan 4.420 nan 0.000 0.218 285 P C 1.214 178.509 177.300 -0.008 0.000 1.154 285 P CA 1.499 64.599 63.100 -0.001 0.000 0.872 285 P CB 0.362 32.055 31.700 -0.012 0.000 0.790 286 E N -1.008 119.188 120.200 -0.007 0.000 2.265 286 E HA -0.097 4.253 4.350 0.000 0.000 0.196 286 E C 1.516 178.105 176.600 -0.019 0.000 0.996 286 E CA 0.745 57.135 56.400 -0.017 0.000 0.832 286 E CB -0.692 28.997 29.700 -0.017 0.000 0.756 286 E HN 0.266 nan 8.360 nan 0.000 0.491 287 L N 0.465 121.682 121.223 -0.010 0.000 2.653 287 L HA 0.176 4.516 4.340 0.000 0.000 0.231 287 L C 0.899 177.763 176.870 -0.010 0.000 1.153 287 L CA 0.026 54.857 54.840 -0.014 0.000 0.933 287 L CB 0.284 42.335 42.059 -0.013 0.000 1.175 287 L HN 0.065 nan 8.230 nan 0.000 0.473 288 N N -1.069 117.626 118.700 -0.008 0.000 2.143 288 N HA 0.061 4.801 4.740 0.000 0.000 0.229 288 N C 0.210 175.714 175.510 -0.009 0.000 1.294 288 N CA 0.068 53.114 53.050 -0.008 0.000 0.883 288 N CB 1.085 39.568 38.487 -0.006 0.000 1.148 288 N HN 0.149 nan 8.380 nan 0.000 0.511 289 S N 0.703 116.392 115.700 -0.018 0.000 2.562 289 S HA 0.448 4.918 4.470 0.000 0.000 0.275 289 S C 0.384 174.956 174.600 -0.048 0.000 1.281 289 S CA -0.562 57.616 58.200 -0.037 0.000 1.045 289 S CB 1.677 64.846 63.200 -0.053 0.000 0.962 289 S HN 0.013 nan 8.310 nan 0.000 0.503 290 V N 0.380 120.243 119.914 -0.084 0.000 2.612 290 V HA 0.780 4.900 4.120 0.000 0.000 0.301 290 V C -0.482 175.416 176.094 -0.326 0.000 1.046 290 V CA -0.541 61.613 62.300 -0.244 0.000 0.946 290 V CB 1.189 32.875 31.823 -0.227 0.000 1.003 290 V HN 1.079 nan 8.190 nan 0.000 0.459 291 E N 1.789 121.686 120.200 -0.504 0.000 2.321 291 E HA 0.402 4.752 4.350 0.000 0.000 0.281 291 E C -1.556 174.722 176.600 -0.536 0.000 0.910 291 E CA -0.735 55.430 56.400 -0.392 0.000 0.770 291 E CB 1.503 31.068 29.700 -0.225 0.000 1.225 291 E HN 0.944 nan 8.360 nan 0.000 0.417 292 H N 2.474 121.474 119.070 -0.116 0.000 2.818 292 H HA 0.235 4.791 4.556 0.000 0.000 0.269 292 H C 0.437 175.752 175.328 -0.022 0.000 1.277 292 H CA -0.066 55.945 56.048 -0.061 0.000 1.290 292 H CB 0.578 30.331 29.762 -0.016 0.000 1.479 292 H HN 0.620 nan 8.280 nan 0.000 0.507 293 G N 2.423 111.235 108.800 0.019 0.000 2.611 293 G HA2 0.076 4.036 3.960 0.000 0.000 0.273 293 G HA3 0.076 4.036 3.960 0.000 0.000 0.273 293 G C -1.326 173.668 174.900 0.157 0.000 1.305 293 G CA -0.982 44.147 45.100 0.047 0.000 1.010 293 G HN 0.326 nan 8.290 nan 0.000 0.509 294 P HA 0.209 nan 4.420 nan 0.000 0.249 294 P C -0.092 177.352 177.300 0.240 0.000 1.229 294 P CA 0.785 63.964 63.100 0.132 0.000 0.788 294 P CB 0.713 32.450 31.700 0.062 0.000 1.072 295 D N -2.364 118.276 120.400 0.400 0.000 2.059 295 D HA 0.248 4.888 4.640 0.000 0.000 0.398 295 D C 0.535 176.972 176.300 0.229 0.000 1.003 295 D CA 0.720 54.916 54.000 0.328 0.000 0.916 295 D CB 0.847 41.721 40.800 0.125 0.000 1.647 295 D HN 0.084 nan 8.370 nan 0.000 0.529 296 G N -0.079 108.660 108.800 -0.102 0.000 2.368 296 G HA2 0.411 4.371 3.960 0.000 0.000 0.293 296 G HA3 0.411 4.371 3.960 0.000 0.000 0.293 296 G C -1.534 173.135 174.900 -0.385 0.000 1.467 296 G CA -0.814 43.990 45.100 -0.492 0.000 0.804 296 G HN 0.006 nan 8.290 nan 0.000 0.535 297 I N 0.671 121.020 120.570 -0.368 0.000 2.499 297 I HA 0.527 4.697 4.170 0.000 0.000 0.296 297 I C 0.398 176.181 176.117 -0.557 0.000 0.992 297 I CA -0.419 60.614 61.300 -0.445 0.000 1.297 297 I CB 1.835 39.583 38.000 -0.420 0.000 1.410 297 I HN 0.337 nan 8.210 nan 0.000 0.507 298 S N 5.440 120.741 115.700 -0.665 0.000 2.561 298 S HA 0.654 5.124 4.470 0.000 0.000 0.303 298 S C -1.009 173.246 174.600 -0.575 0.000 1.110 298 S CA -0.440 57.478 58.200 -0.471 0.000 1.034 298 S CB 0.475 63.503 63.200 -0.287 0.000 1.010 298 S HN 0.316 nan 8.310 nan 0.000 0.482 299 F N 1.896 121.739 119.950 -0.180 0.000 2.529 299 F HA 0.511 5.038 4.527 0.000 0.000 0.320 299 F C 1.060 176.774 175.800 -0.143 0.000 1.118 299 F CA -0.849 57.054 58.000 -0.162 0.000 0.915 299 F CB 1.675 40.576 39.000 -0.164 0.000 1.161 299 F HN 0.663 nan 8.300 nan 0.000 0.445 300 G N 1.175 110.028 108.800 0.088 0.000 2.340 300 G HA2 0.305 4.266 3.960 0.000 0.000 0.245 300 G HA3 0.305 4.266 3.960 0.000 0.000 0.245 300 G C 0.906 175.802 174.900 -0.006 0.000 1.294 300 G CA 0.074 45.181 45.100 0.012 0.000 0.896 300 G HN 1.020 nan 8.290 nan 0.000 0.522 301 A N 2.492 125.291 122.820 -0.034 0.000 2.104 301 A HA -0.018 4.302 4.320 0.000 0.000 0.223 301 A C 2.559 180.109 177.584 -0.056 0.000 1.164 301 A CA 2.509 54.514 52.037 -0.054 0.000 0.659 301 A CB -0.217 18.750 19.000 -0.055 0.000 0.808 301 A HN 1.345 nan 8.150 nan 0.000 0.465 302 A N -1.592 121.201 122.820 -0.044 0.000 2.132 302 A HA 0.233 4.554 4.320 0.000 0.000 0.213 302 A C 1.087 178.635 177.584 -0.061 0.000 1.154 302 A CA 0.437 52.448 52.037 -0.044 0.000 0.753 302 A CB -0.742 18.244 19.000 -0.024 0.000 0.826 302 A HN 0.512 nan 8.150 nan 0.000 0.469 303 C N 1.666 120.926 119.300 -0.068 0.000 2.657 303 C HA 0.340 4.800 4.460 0.000 0.000 0.420 303 C C -2.253 172.651 174.990 -0.143 0.000 1.323 303 C CA -0.809 58.151 59.018 -0.096 0.000 1.894 303 C CB -0.177 27.505 27.740 -0.096 0.000 2.681 303 C HN 0.372 nan 8.230 nan 0.000 0.613 304 P HA 0.195 nan 4.420 nan 0.000 0.280 304 P C 0.846 178.001 177.300 -0.242 0.000 1.244 304 P CA -0.221 62.766 63.100 -0.189 0.000 0.784 304 P CB 0.384 31.964 31.700 -0.201 0.000 0.913 305 L N 1.825 122.892 121.223 -0.261 0.000 2.095 305 L HA -0.375 3.965 4.340 0.000 0.000 0.229 305 L C 2.444 179.135 176.870 -0.299 0.000 1.097 305 L CA 2.772 57.416 54.840 -0.327 0.000 0.813 305 L CB -1.465 40.370 42.059 -0.374 0.000 0.907 305 L HN 0.503 nan 8.230 nan 0.000 0.445 306 S N -0.120 115.435 115.700 -0.241 0.000 2.420 306 S HA -0.228 4.242 4.470 0.000 0.000 0.237 306 S C 1.793 176.273 174.600 -0.199 0.000 1.023 306 S CA 1.698 59.775 58.200 -0.205 0.000 0.991 306 S CB -0.686 62.412 63.200 -0.170 0.000 0.792 306 S HN 0.649 nan 8.310 nan 0.000 0.488 307 I N -1.039 119.401 120.570 -0.217 0.000 3.462 307 I HA 0.158 4.328 4.170 0.000 0.000 0.290 307 I C 1.921 177.909 176.117 -0.215 0.000 1.236 307 I CA 0.301 61.497 61.300 -0.174 0.000 1.418 307 I CB -0.290 37.637 38.000 -0.121 0.000 1.102 307 I HN 0.164 nan 8.210 nan 0.000 0.441 308 V N 2.339 122.004 119.914 -0.415 0.000 2.250 308 V HA -0.345 3.775 4.120 0.000 0.000 0.250 308 V C 2.619 178.497 176.094 -0.361 0.000 1.060 308 V CA 2.743 64.617 62.300 -0.709 0.000 1.030 308 V CB -0.749 30.599 31.823 -0.792 0.000 0.643 308 V HN 0.591 nan 8.190 nan 0.000 0.445 309 E N 0.171 120.202 120.200 -0.282 0.000 2.026 309 E HA -0.360 3.990 4.350 0.000 0.000 0.206 309 E C 2.314 178.857 176.600 -0.095 0.000 1.028 309 E CA 2.327 58.615 56.400 -0.187 0.000 0.845 309 E CB -0.341 29.244 29.700 -0.191 0.000 0.772 309 E HN 0.582 nan 8.360 nan 0.000 0.462 310 K N -0.479 119.871 120.400 -0.084 0.000 2.144 310 K HA -0.224 4.096 4.320 0.000 0.000 0.209 310 K C 1.928 178.539 176.600 0.019 0.000 1.047 310 K CA 2.104 58.367 56.287 -0.039 0.000 0.927 310 K CB -0.227 32.243 32.500 -0.050 0.000 0.716 310 K HN 0.147 nan 8.250 nan 0.000 0.454 311 T N 1.348 115.939 114.554 0.061 0.000 2.643 311 T HA -0.079 4.271 4.350 0.000 0.000 0.256 311 T C 1.747 176.559 174.700 0.188 0.000 1.061 311 T CA 1.251 63.454 62.100 0.173 0.000 1.163 311 T CB -0.265 68.819 68.868 0.360 0.000 0.865 311 T HN 0.049 nan 8.240 nan 0.000 0.407 312 L N 1.512 122.860 121.223 0.208 0.000 2.011 312 L HA -0.200 4.140 4.340 0.000 0.000 0.225 312 L C 2.750 179.701 176.870 0.135 0.000 1.084 312 L CA 1.592 56.562 54.840 0.217 0.000 0.791 312 L CB -1.643 40.486 42.059 0.117 0.000 0.898 312 L HN 0.170 nan 8.230 nan 0.000 0.440 313 V N 0.333 120.280 119.914 0.054 0.000 2.311 313 V HA -0.362 3.758 4.120 0.000 0.000 0.256 313 V C 2.125 178.239 176.094 0.035 0.000 1.077 313 V CA 2.285 64.599 62.300 0.022 0.000 1.067 313 V CB -1.262 30.553 31.823 -0.013 0.000 0.659 313 V HN 0.731 nan 8.190 nan 0.000 0.451 314 D N 0.661 121.089 120.400 0.047 0.000 2.323 314 D HA 0.125 4.765 4.640 0.000 0.000 0.218 314 D C 1.893 178.216 176.300 0.039 0.000 0.973 314 D CA 0.973 54.992 54.000 0.032 0.000 0.890 314 D CB -0.397 40.415 40.800 0.019 0.000 1.011 314 D HN 0.377 nan 8.370 nan 0.000 0.499 315 A N 0.575 123.442 122.820 0.079 0.000 2.125 315 A HA -0.001 4.319 4.320 0.000 0.000 0.219 315 A C 2.286 179.895 177.584 0.042 0.000 1.156 315 A CA 1.087 53.170 52.037 0.077 0.000 0.671 315 A CB -0.818 18.284 19.000 0.170 0.000 0.794 315 A HN 0.221 nan 8.150 nan 0.000 0.459 316 V N -0.720 119.232 119.914 0.062 0.000 2.548 316 V HA -0.090 4.030 4.120 0.000 0.000 0.249 316 V C 2.615 178.704 176.094 -0.009 0.000 1.055 316 V CA 1.911 64.218 62.300 0.011 0.000 1.065 316 V CB -0.259 31.589 31.823 0.041 0.000 0.681 316 V HN 0.580 nan 8.190 nan 0.000 0.462 317 A N -1.535 121.285 122.820 0.000 0.000 2.132 317 A HA 0.073 4.393 4.320 0.000 0.000 0.213 317 A C 1.796 179.369 177.584 -0.018 0.000 1.154 317 A CA 0.518 52.550 52.037 -0.007 0.000 0.753 317 A CB -0.135 18.864 19.000 -0.003 0.000 0.826 317 A HN 0.282 nan 8.150 nan 0.000 0.469 318 K N -0.082 120.305 120.400 -0.022 0.000 2.684 318 K HA 0.520 4.840 4.320 0.000 0.000 0.215 318 K C -1.199 175.370 176.600 -0.051 0.000 1.073 318 K CA 0.101 56.366 56.287 -0.035 0.000 1.197 318 K CB -0.657 31.820 32.500 -0.039 0.000 0.955 318 K HN 0.431 nan 8.250 nan 0.000 0.473 319 L N 0.758 121.948 121.223 -0.056 0.000 2.641 319 L HA 0.268 4.608 4.340 0.000 0.000 0.261 319 L C -2.501 174.321 176.870 -0.080 0.000 0.926 319 L CA -1.534 53.258 54.840 -0.080 0.000 0.917 319 L CB 2.199 44.199 42.059 -0.099 0.000 1.361 319 L HN -0.045 nan 8.230 nan 0.000 0.417 320 P HA -0.115 nan 4.420 nan 0.000 0.252 320 P C 0.113 177.374 177.300 -0.065 0.000 1.126 320 P CA 0.428 63.483 63.100 -0.074 0.000 0.777 320 P CB 0.411 32.054 31.700 -0.094 0.000 0.711 321 A N 3.178 125.976 122.820 -0.036 0.000 2.150 321 A HA -0.099 4.221 4.320 0.000 0.000 0.220 321 A C 1.643 179.230 177.584 0.005 0.000 1.356 321 A CA 0.775 52.802 52.037 -0.017 0.000 1.145 321 A CB -0.633 18.366 19.000 -0.001 0.000 0.826 321 A HN 0.482 nan 8.150 nan 0.000 0.524 322 Q N -0.724 119.067 119.800 -0.017 0.000 2.254 322 Q HA 0.203 4.543 4.340 0.000 0.000 0.259 322 Q C 1.468 177.451 176.000 -0.028 0.000 0.815 322 Q CA 0.894 56.696 55.803 -0.002 0.000 0.961 322 Q CB 0.039 28.777 28.738 -0.000 0.000 1.140 322 Q HN 0.527 nan 8.270 nan 0.000 0.502 323 K N -0.162 120.198 120.400 -0.067 0.000 2.148 323 K HA -0.009 4.311 4.320 0.000 0.000 0.204 323 K C 0.703 177.266 176.600 -0.063 0.000 1.050 323 K CA 1.548 57.798 56.287 -0.062 0.000 0.942 323 K CB 0.108 32.500 32.500 -0.180 0.000 0.724 323 K HN 0.325 nan 8.250 nan 0.000 0.446 324 T N -0.601 113.876 114.554 -0.128 0.000 3.500 324 T HA 0.149 4.499 4.350 0.000 0.000 0.244 324 T C 0.860 175.569 174.700 0.014 0.000 0.962 324 T CA -0.116 61.867 62.100 -0.196 0.000 0.932 324 T CB 0.217 68.986 68.868 -0.166 0.000 1.096 324 T HN 0.019 nan 8.240 nan 0.000 0.617 325 E N 0.631 120.889 120.200 0.096 0.000 2.250 325 E HA 0.017 4.367 4.350 0.000 0.000 0.192 325 E C 1.951 178.617 176.600 0.110 0.000 0.986 325 E CA 0.570 57.056 56.400 0.143 0.000 0.849 325 E CB 0.332 30.144 29.700 0.187 0.000 0.797 325 E HN 0.540 nan 8.360 nan 0.000 0.482 326 V N 0.440 120.452 119.914 0.163 0.000 2.725 326 V HA -0.118 4.002 4.120 0.000 0.000 0.247 326 V C 1.991 178.023 176.094 -0.104 0.000 1.058 326 V CA 0.847 63.077 62.300 -0.117 0.000 1.080 326 V CB -0.646 31.220 31.823 0.071 0.000 0.713 326 V HN 0.050 nan 8.190 nan 0.000 0.465 327 F N 1.219 121.077 119.950 -0.153 0.000 2.126 327 F HA -0.151 4.377 4.527 0.000 0.000 0.299 327 F C 2.611 178.304 175.800 -0.178 0.000 1.096 327 F CA 1.650 59.573 58.000 -0.128 0.000 1.255 327 F CB -0.789 38.186 39.000 -0.042 0.000 0.997 327 F HN 0.014 nan 8.300 nan 0.000 0.479 328 R N -0.017 120.507 120.500 0.041 0.000 2.152 328 R HA -0.051 4.289 4.340 0.000 0.000 0.232 328 R C 2.498 178.714 176.300 -0.139 0.000 1.117 328 R CA 1.093 57.177 56.100 -0.028 0.000 0.981 328 R CB -0.974 29.328 30.300 0.003 0.000 0.870 328 R HN 0.369 nan 8.270 nan 0.000 0.451 329 G N -0.686 107.934 108.800 -0.299 0.000 2.394 329 G HA2 -0.175 3.785 3.960 0.000 0.000 0.214 329 G HA3 -0.175 3.785 3.960 0.000 0.000 0.214 329 G C 1.387 176.047 174.900 -0.400 0.000 1.176 329 G CA 0.642 45.478 45.100 -0.440 0.000 0.786 329 G HN 0.152 nan 8.290 nan 0.000 0.533 330 V N 1.253 120.905 119.914 -0.437 0.000 2.231 330 V HA -0.238 3.882 4.120 0.000 0.000 0.250 330 V C 2.977 178.909 176.094 -0.269 0.000 1.058 330 V CA 2.020 64.084 62.300 -0.394 0.000 1.022 330 V CB -0.620 30.966 31.823 -0.395 0.000 0.640 330 V HN 0.333 nan 8.190 nan 0.000 0.445 331 L N -0.454 120.650 121.223 -0.198 0.000 2.079 331 L HA -0.178 4.162 4.340 0.000 0.000 0.210 331 L C 2.553 179.356 176.870 -0.111 0.000 1.081 331 L CA 1.627 56.381 54.840 -0.144 0.000 0.752 331 L CB -0.785 41.221 42.059 -0.089 0.000 0.896 331 L HN 0.272 nan 8.230 nan 0.000 0.433 332 E N -0.158 119.987 120.200 -0.092 0.000 2.267 332 E HA -0.199 4.151 4.350 0.000 0.000 0.197 332 E C 2.113 178.744 176.600 0.052 0.000 0.998 332 E CA 0.957 57.349 56.400 -0.012 0.000 0.830 332 E CB 0.064 29.741 29.700 -0.039 0.000 0.751 332 E HN 0.573 nan 8.360 nan 0.000 0.491 333 Q N -0.722 119.058 119.800 -0.033 0.000 2.349 333 Q HA 0.114 4.454 4.340 0.000 0.000 0.209 333 Q C 2.271 178.315 176.000 0.073 0.000 0.920 333 Q CA 0.114 55.944 55.803 0.046 0.000 0.901 333 Q CB 0.248 28.960 28.738 -0.044 0.000 1.021 333 Q HN 0.313 nan 8.270 nan 0.000 0.519 334 L N 1.647 122.830 121.223 -0.066 0.000 2.551 334 L HA -0.061 4.279 4.340 0.000 0.000 0.228 334 L C 2.360 179.149 176.870 -0.134 0.000 1.153 334 L CA 0.575 55.346 54.840 -0.115 0.000 0.851 334 L CB -0.319 41.591 42.059 -0.249 0.000 0.959 334 L HN 0.227 nan 8.230 nan 0.000 0.451 335 R N -0.368 119.992 120.500 -0.233 0.000 2.073 335 R HA -0.145 4.195 4.340 0.000 0.000 0.229 335 R C 1.421 177.307 176.300 -0.689 0.000 1.120 335 R CA 1.243 57.001 56.100 -0.569 0.000 0.967 335 R CB -0.693 29.077 30.300 -0.884 0.000 0.862 335 R HN 0.352 nan 8.270 nan 0.000 0.436 336 W N 0.344 121.679 121.300 0.058 0.000 3.256 336 W HA 0.227 4.887 4.660 0.000 0.000 0.269 336 W C 0.099 176.676 176.519 0.096 0.000 1.310 336 W CA -1.051 56.333 57.345 0.065 0.000 1.673 336 W CB -0.010 29.478 29.460 0.046 0.000 1.115 336 W HN -0.127 nan 8.180 nan 0.000 0.686 337 F N 1.790 121.784 119.950 0.074 0.000 2.541 337 F HA 0.426 4.954 4.527 0.000 0.000 0.347 337 F C 1.143 176.944 175.800 0.002 0.000 1.242 337 F CA 0.315 58.333 58.000 0.030 0.000 1.123 337 F CB -0.160 38.824 39.000 -0.027 0.000 1.354 337 F HN 0.090 nan 8.300 nan 0.000 0.621 338 A N 2.856 125.768 122.820 0.153 0.000 2.125 338 A HA 0.032 4.352 4.320 0.000 0.000 0.226 338 A C 1.334 178.992 177.584 0.123 0.000 0.600 338 A CA 0.746 52.861 52.037 0.130 0.000 1.189 338 A CB -2.359 16.771 19.000 0.217 0.000 1.399 338 A HN 2.355 nan 8.150 nan 0.000 0.704 339 G N -2.014 106.848 108.800 0.104 0.000 2.617 339 G HA2 0.241 4.201 3.960 0.000 0.000 0.686 339 G HA3 0.241 4.201 3.960 0.000 0.000 0.686 339 G C -0.052 174.871 174.900 0.040 0.000 1.214 339 G CA 0.633 45.760 45.100 0.045 0.000 0.796 339 G HN 0.933 nan 8.290 nan 0.000 0.654 340 K N 0.217 120.620 120.400 0.005 0.000 2.211 340 K HA -0.138 4.182 4.320 0.000 0.000 0.204 340 K C 2.346 178.968 176.600 0.037 0.000 1.047 340 K CA 1.858 58.144 56.287 -0.003 0.000 0.935 340 K CB 0.029 32.507 32.500 -0.036 0.000 0.728 340 K HN 0.537 nan 8.250 nan 0.000 0.452 341 Q N -0.141 119.699 119.800 0.065 0.000 2.488 341 Q HA -0.025 4.315 4.340 0.000 0.000 0.211 341 Q C 1.468 177.524 176.000 0.094 0.000 0.967 341 Q CA 0.518 56.376 55.803 0.092 0.000 0.926 341 Q CB 0.457 29.252 28.738 0.094 0.000 0.992 341 Q HN 0.035 nan 8.270 nan 0.000 0.506 342 V N -1.212 118.749 119.914 0.078 0.000 3.251 342 V HA -0.011 4.110 4.120 0.000 0.000 0.239 342 V C 1.342 177.471 176.094 0.060 0.000 1.332 342 V CA 0.357 62.708 62.300 0.086 0.000 1.224 342 V CB 0.272 32.162 31.823 0.113 0.000 1.004 342 V HN 0.131 nan 8.190 nan 0.000 0.464 343 K N 0.614 121.032 120.400 0.031 0.000 2.211 343 K HA -0.048 4.272 4.320 0.000 0.000 0.203 343 K C 2.001 178.546 176.600 -0.091 0.000 1.050 343 K CA 1.522 57.777 56.287 -0.053 0.000 0.945 343 K CB -0.111 32.333 32.500 -0.093 0.000 0.732 343 K HN 0.337 nan 8.250 nan 0.000 0.451 344 S N 0.704 116.374 115.700 -0.050 0.000 2.496 344 S HA -0.042 4.428 4.470 0.000 0.000 0.224 344 S C 1.950 176.477 174.600 -0.121 0.000 0.996 344 S CA 0.817 58.951 58.200 -0.111 0.000 0.927 344 S CB 0.211 63.401 63.200 -0.018 0.000 0.774 344 S HN 0.266 nan 8.310 nan 0.000 0.524 345 V N -1.560 118.344 119.914 -0.016 0.000 3.431 345 V HA 0.545 4.665 4.120 0.000 0.000 0.253 345 V C 0.767 176.850 176.094 -0.019 0.000 1.184 345 V CA 0.080 62.376 62.300 -0.006 0.000 1.104 345 V CB -0.726 31.137 31.823 0.066 0.000 0.799 345 V HN 0.310 nan 8.190 nan 0.000 0.462 346 A N 1.731 124.539 122.820 -0.020 0.000 2.316 346 A HA 0.729 5.049 4.320 0.000 0.000 0.284 346 A C 0.496 178.042 177.584 -0.064 0.000 1.115 346 A CA 0.311 52.340 52.037 -0.013 0.000 0.812 346 A CB 0.522 19.540 19.000 0.030 0.000 1.064 346 A HN 0.755 nan 8.150 nan 0.000 0.489 347 S N 1.113 116.780 115.700 -0.055 0.000 2.585 347 S HA 0.407 4.877 4.470 0.000 0.000 0.277 347 S C 1.249 175.796 174.600 -0.088 0.000 1.241 347 S CA -0.240 57.909 58.200 -0.084 0.000 1.041 347 S CB 1.058 64.221 63.200 -0.063 0.000 0.987 347 S HN 1.224 nan 8.310 nan 0.000 0.512 348 V N 1.596 121.433 119.914 -0.128 0.000 2.250 348 V HA -0.123 3.997 4.120 0.000 0.000 0.250 348 V C 2.645 178.702 176.094 -0.060 0.000 1.060 348 V CA 2.157 64.400 62.300 -0.095 0.000 1.030 348 V CB -2.363 29.375 31.823 -0.142 0.000 0.643 348 V HN 1.010 nan 8.190 nan 0.000 0.445 349 G N 1.124 109.879 108.800 -0.075 0.000 2.732 349 G HA2 -0.321 3.639 3.960 0.000 0.000 0.222 349 G HA3 -0.321 3.639 3.960 0.000 0.000 0.222 349 G C 1.650 176.538 174.900 -0.020 0.000 1.203 349 G CA 1.972 47.039 45.100 -0.055 0.000 0.780 349 G HN 0.856 nan 8.290 nan 0.000 0.621 350 G N 0.872 109.662 108.800 -0.016 0.000 2.556 350 G HA2 -0.390 3.570 3.960 0.000 0.000 0.220 350 G HA3 -0.390 3.570 3.960 0.000 0.000 0.220 350 G C 1.748 176.674 174.900 0.043 0.000 1.156 350 G CA 1.618 46.721 45.100 0.005 0.000 0.766 350 G HN 0.592 nan 8.290 nan 0.000 0.583 351 N N -0.079 118.660 118.700 0.064 0.000 2.250 351 N HA 0.058 4.798 4.740 0.000 0.000 0.181 351 N C 2.160 177.751 175.510 0.136 0.000 1.017 351 N CA 0.679 53.799 53.050 0.117 0.000 0.866 351 N CB -0.144 38.437 38.487 0.157 0.000 0.985 351 N HN 0.385 nan 8.380 nan 0.000 0.429 352 I N 0.106 120.750 120.570 0.124 0.000 2.163 352 I HA -0.143 4.027 4.170 0.000 0.000 0.240 352 I C 1.608 177.874 176.117 0.249 0.000 1.081 352 I CA 0.989 62.392 61.300 0.172 0.000 1.353 352 I CB -0.065 37.960 38.000 0.041 0.000 1.054 352 I HN 0.149 nan 8.210 nan 0.000 0.407 353 I N -0.386 120.284 120.570 0.166 0.000 3.291 353 I HA -0.148 4.022 4.170 0.000 0.000 0.279 353 I C 1.877 178.067 176.117 0.121 0.000 1.294 353 I CA 0.582 61.980 61.300 0.165 0.000 1.428 353 I CB -0.250 37.799 38.000 0.081 0.000 1.070 353 I HN 0.135 nan 8.210 nan 0.000 0.478 354 T N 1.164 115.779 114.554 0.100 0.000 3.163 354 T HA 0.130 4.480 4.350 0.000 0.000 0.260 354 T C 1.053 175.770 174.700 0.028 0.000 1.156 354 T CA 0.107 62.235 62.100 0.046 0.000 1.072 354 T CB -0.337 68.555 68.868 0.040 0.000 0.937 354 T HN 0.354 nan 8.240 nan 0.000 0.528 355 A N 1.806 124.673 122.820 0.079 0.000 2.618 355 A HA 0.371 4.691 4.320 0.000 0.000 0.293 355 A C 0.867 178.437 177.584 -0.022 0.000 1.413 355 A CA -0.063 52.024 52.037 0.084 0.000 1.074 355 A CB -0.433 18.725 19.000 0.262 0.000 1.087 355 A HN 0.362 nan 8.150 nan 0.000 0.553 356 S N 3.114 118.798 115.700 -0.027 0.000 2.579 356 S HA 0.287 4.757 4.470 0.000 0.000 0.275 356 S C -1.059 173.516 174.600 -0.042 0.000 1.345 356 S CA -0.993 57.191 58.200 -0.028 0.000 1.031 356 S CB 0.476 63.671 63.200 -0.008 0.000 0.892 356 S HN 0.459 nan 8.310 nan 0.000 0.529 357 P HA -0.122 nan 4.420 nan 0.000 0.217 357 P C 0.770 178.050 177.300 -0.033 0.000 1.151 357 P CA 1.194 64.291 63.100 -0.005 0.000 0.849 357 P CB -0.168 31.558 31.700 0.044 0.000 0.787 358 I N -4.538 116.018 120.570 -0.023 0.000 3.858 358 I HA 0.224 4.394 4.170 0.000 0.000 0.325 358 I C 0.512 176.609 176.117 -0.034 0.000 1.403 358 I CA -1.140 60.143 61.300 -0.029 0.000 1.169 358 I CB -1.331 36.652 38.000 -0.029 0.000 1.077 358 I HN -0.252 nan 8.210 nan 0.000 0.403 359 S N 0.900 116.581 115.700 -0.032 0.000 2.568 359 S HA 0.073 4.543 4.470 0.000 0.000 0.282 359 S C 0.793 175.392 174.600 -0.000 0.000 1.338 359 S CA 0.043 58.244 58.200 0.002 0.000 1.045 359 S CB 0.409 63.621 63.200 0.020 0.000 0.873 359 S HN 0.487 nan 8.310 nan 0.000 0.516 360 D N 3.135 123.556 120.400 0.035 0.000 2.367 360 D HA 0.096 4.736 4.640 0.000 0.000 0.207 360 D C 1.582 177.864 176.300 -0.030 0.000 1.034 360 D CA 0.308 54.316 54.000 0.014 0.000 0.861 360 D CB 0.171 41.009 40.800 0.063 0.000 0.943 360 D HN 0.477 nan 8.370 nan 0.000 0.515 361 L N 0.730 121.953 121.223 -0.001 0.000 2.209 361 L HA -0.011 4.329 4.340 0.000 0.000 0.207 361 L C 2.032 178.811 176.870 -0.151 0.000 1.094 361 L CA 0.531 55.261 54.840 -0.183 0.000 0.790 361 L CB -0.161 41.875 42.059 -0.039 0.000 0.932 361 L HN -0.093 nan 8.230 nan 0.000 0.447 362 N N 0.320 119.066 118.700 0.075 0.000 2.106 362 N HA -0.102 4.638 4.740 0.000 0.000 0.188 362 N C -0.783 174.796 175.510 0.114 0.000 1.029 362 N CA 1.160 54.322 53.050 0.187 0.000 0.848 362 N CB -1.382 37.150 38.487 0.074 0.000 1.007 362 N HN 0.116 nan 8.380 nan 0.000 0.423 363 P HA -0.147 nan 4.420 nan 0.000 0.218 363 P C 1.645 178.947 177.300 0.003 0.000 1.154 363 P CA 1.060 64.154 63.100 -0.009 0.000 0.872 363 P CB 0.073 31.732 31.700 -0.068 0.000 0.790 364 V N -2.306 117.564 119.914 -0.073 0.000 2.407 364 V HA -0.155 3.965 4.120 0.000 0.000 0.245 364 V C 2.157 178.279 176.094 0.046 0.000 1.041 364 V CA 1.449 63.719 62.300 -0.049 0.000 1.040 364 V CB -1.258 30.372 31.823 -0.322 0.000 0.671 364 V HN 0.033 nan 8.190 nan 0.000 0.455 365 F N -0.510 119.450 119.950 0.016 0.000 2.102 365 F HA -0.258 4.269 4.527 0.000 0.000 0.298 365 F C 2.544 178.356 175.800 0.020 0.000 1.105 365 F CA 2.082 60.079 58.000 -0.005 0.000 1.239 365 F CB -0.280 38.699 39.000 -0.035 0.000 0.991 365 F HN 0.082 nan 8.300 nan 0.000 0.474 366 M N 0.566 120.316 119.600 0.249 0.000 2.065 366 M HA -0.252 4.228 4.480 0.000 0.000 0.259 366 M C 2.472 178.837 176.300 0.109 0.000 1.071 366 M CA 2.248 57.649 55.300 0.167 0.000 1.109 366 M CB -0.387 32.334 32.600 0.203 0.000 1.313 366 M HN 0.145 nan 8.290 nan 0.000 0.408 367 A N -0.670 122.193 122.820 0.071 0.000 1.948 367 A HA -0.221 4.099 4.320 0.000 0.000 0.220 367 A C 2.208 179.787 177.584 -0.010 0.000 1.177 367 A CA 2.341 54.361 52.037 -0.029 0.000 0.636 367 A CB -1.307 17.603 19.000 -0.151 0.000 0.815 367 A HN 0.671 nan 8.150 nan 0.000 0.449 368 S N -0.864 114.942 115.700 0.176 0.000 2.419 368 S HA 0.124 4.594 4.470 0.000 0.000 0.235 368 S C 1.276 175.953 174.600 0.127 0.000 1.019 368 S CA 1.464 59.825 58.200 0.268 0.000 0.982 368 S CB -0.925 62.461 63.200 0.310 0.000 0.789 368 S HN 2.040 nan 8.310 nan 0.000 0.490 369 G N 1.167 110.016 108.800 0.082 0.000 2.342 369 G HA2 0.006 3.966 3.960 0.000 0.000 0.267 369 G HA3 0.006 3.966 3.960 0.000 0.000 0.267 369 G C 0.068 174.985 174.900 0.028 0.000 0.922 369 G CA 0.215 45.339 45.100 0.041 0.000 1.342 369 G HN 0.907 nan 8.290 nan 0.000 0.430 370 A N 1.498 124.324 122.820 0.011 0.000 2.275 370 A HA 0.892 5.212 4.320 0.000 0.000 0.282 370 A C 0.856 178.375 177.584 -0.110 0.000 1.275 370 A CA 0.472 52.487 52.037 -0.036 0.000 0.842 370 A CB 0.747 19.707 19.000 -0.067 0.000 1.280 370 A HN 1.382 nan 8.150 nan 0.000 0.508 371 K N 0.619 120.927 120.400 -0.152 0.000 2.705 371 K HA 0.422 4.742 4.320 0.000 0.000 0.238 371 K C -1.483 175.020 176.600 -0.162 0.000 0.996 371 K CA -0.343 55.863 56.287 -0.136 0.000 1.007 371 K CB 0.359 32.807 32.500 -0.087 0.000 1.206 371 K HN 0.584 nan 8.250 nan 0.000 0.488 372 L N 2.614 123.727 121.223 -0.183 0.000 2.375 372 L HA 0.419 4.759 4.340 0.000 0.000 0.271 372 L C -0.049 176.763 176.870 -0.096 0.000 1.107 372 L CA -0.572 54.168 54.840 -0.167 0.000 0.806 372 L CB 1.425 43.365 42.059 -0.197 0.000 1.146 372 L HN 0.592 nan 8.230 nan 0.000 0.447 373 T N 4.294 118.800 114.554 -0.080 0.000 2.864 373 T HA 0.519 4.869 4.350 0.000 0.000 0.310 373 T C -0.035 174.640 174.700 -0.042 0.000 1.040 373 T CA -0.441 61.625 62.100 -0.057 0.000 0.977 373 T CB 0.801 69.633 68.868 -0.061 0.000 0.976 373 T HN 0.276 nan 8.240 nan 0.000 0.459 374 L N 3.662 124.868 121.223 -0.028 0.000 2.334 374 L HA 0.936 5.276 4.340 0.000 0.000 0.275 374 L C 0.134 176.989 176.870 -0.025 0.000 1.036 374 L CA -1.295 53.532 54.840 -0.021 0.000 0.807 374 L CB 1.344 43.398 42.059 -0.007 0.000 1.231 374 L HN 0.401 nan 8.230 nan 0.000 0.438 375 V N -1.110 118.788 119.914 -0.027 0.000 3.114 375 V HA 0.879 4.999 4.120 0.000 0.000 0.308 375 V C -0.613 175.464 176.094 -0.027 0.000 1.168 375 V CA -0.345 61.939 62.300 -0.027 0.000 1.015 375 V CB 1.936 33.743 31.823 -0.027 0.000 1.050 375 V HN 0.926 nan 8.190 nan 0.000 0.433 376 S N 1.695 117.380 115.700 -0.025 0.000 2.840 376 S HA 0.685 5.155 4.470 0.000 0.000 0.307 376 S C -0.566 174.022 174.600 -0.021 0.000 1.180 376 S CA -0.539 57.646 58.200 -0.024 0.000 0.846 376 S CB 1.919 65.103 63.200 -0.025 0.000 1.233 376 S HN 1.518 nan 8.310 nan 0.000 0.548 377 R N 0.684 121.172 120.500 -0.019 0.000 2.242 377 R HA 0.562 4.902 4.340 0.000 0.000 0.334 377 R C 0.766 177.056 176.300 -0.016 0.000 1.071 377 R CA 0.607 56.697 56.100 -0.017 0.000 0.922 377 R CB -0.271 30.021 30.300 -0.014 0.000 1.023 377 R HN 1.392 nan 8.270 nan 0.000 0.458 378 G N 2.584 111.374 108.800 -0.016 0.000 2.246 378 G HA2 -0.246 3.714 3.960 0.000 0.000 0.273 378 G HA3 -0.246 3.714 3.960 0.000 0.000 0.273 378 G C -0.476 174.414 174.900 -0.018 0.000 1.055 378 G CA 0.377 45.467 45.100 -0.016 0.000 0.851 378 G HN 0.823 nan 8.290 nan 0.000 0.500 379 T N -1.999 112.544 114.554 -0.019 0.000 3.032 379 T HA 0.685 5.035 4.350 0.000 0.000 0.312 379 T C -0.291 174.396 174.700 -0.021 0.000 1.078 379 T CA -0.864 61.224 62.100 -0.021 0.000 1.028 379 T CB 2.323 71.177 68.868 -0.023 0.000 1.091 379 T HN 0.382 nan 8.240 nan 0.000 0.457 380 R N 1.399 121.887 120.500 -0.021 0.000 2.593 380 R HA 0.259 4.599 4.340 0.000 0.000 0.258 380 R C -0.153 176.134 176.300 -0.022 0.000 1.410 380 R CA -0.486 55.601 56.100 -0.022 0.000 1.537 380 R CB 0.050 30.338 30.300 -0.021 0.000 1.362 380 R HN 0.435 nan 8.270 nan 0.000 0.734 381 R N 0.065 120.552 120.500 -0.021 0.000 2.756 381 R HA 0.113 4.453 4.340 0.000 0.000 0.264 381 R C -0.524 175.763 176.300 -0.021 0.000 1.026 381 R CA 0.682 56.770 56.100 -0.020 0.000 1.121 381 R CB 0.882 31.172 30.300 -0.018 0.000 0.999 381 R HN 0.173 nan 8.270 nan 0.000 0.449 382 T N 2.183 116.725 114.554 -0.021 0.000 3.135 382 T HA 0.141 4.491 4.350 0.000 0.000 0.357 382 T C -0.961 173.723 174.700 -0.027 0.000 1.112 382 T CA -0.356 61.727 62.100 -0.028 0.000 1.290 382 T CB 0.723 69.571 68.868 -0.033 0.000 1.018 382 T HN 0.345 nan 8.240 nan 0.000 0.527 383 V N 3.880 123.779 119.914 -0.025 0.000 2.539 383 V HA 0.594 4.714 4.120 0.000 0.000 0.292 383 V C -0.034 176.020 176.094 -0.066 0.000 1.045 383 V CA -0.541 61.745 62.300 -0.023 0.000 0.945 383 V CB 1.727 33.570 31.823 0.033 0.000 0.993 383 V HN 0.815 nan 8.190 nan 0.000 0.464 384 Q N 4.876 124.641 119.800 -0.058 0.000 2.267 384 Q HA 0.402 4.742 4.340 0.000 0.000 0.255 384 Q C -0.116 175.824 176.000 -0.100 0.000 0.923 384 Q CA -0.349 55.410 55.803 -0.073 0.000 0.925 384 Q CB 1.265 29.981 28.738 -0.036 0.000 1.195 384 Q HN 0.902 nan 8.270 nan 0.000 0.417 385 M N 4.552 124.054 119.600 -0.163 0.000 2.239 385 M HA 0.103 4.583 4.480 0.000 0.000 0.348 385 M C -1.176 175.090 176.300 -0.056 0.000 1.239 385 M CA 0.784 55.951 55.300 -0.221 0.000 1.114 385 M CB 0.370 32.803 32.600 -0.279 0.000 1.641 385 M HN 0.820 nan 8.290 nan 0.000 0.453 386 D N 2.121 122.517 120.400 -0.006 0.000 2.738 386 D HA 0.024 4.665 4.640 0.000 0.000 0.308 386 D C 0.330 176.703 176.300 0.120 0.000 1.311 386 D CA -0.427 53.624 54.000 0.084 0.000 0.799 386 D CB -0.181 40.650 40.800 0.051 0.000 1.332 386 D HN 0.813 nan 8.370 nan 0.000 0.441 387 H N -1.476 117.672 119.070 0.130 0.000 2.539 387 H HA -0.064 4.492 4.556 0.000 0.000 0.292 387 H C 0.952 176.389 175.328 0.182 0.000 1.069 387 H CA 1.733 57.883 56.048 0.170 0.000 1.244 387 H CB -0.746 29.090 29.762 0.123 0.000 1.365 387 H HN 0.377 nan 8.280 nan 0.000 0.575 388 T N 0.035 114.453 114.554 -0.226 0.000 3.067 388 T HA -0.009 4.341 4.350 0.000 0.000 0.261 388 T C 1.309 175.980 174.700 -0.048 0.000 1.110 388 T CA 0.124 62.098 62.100 -0.211 0.000 1.113 388 T CB -0.455 68.219 68.868 -0.324 0.000 0.917 388 T HN 0.320 nan 8.240 nan 0.000 0.499 389 F N 1.130 120.944 119.950 -0.227 0.000 2.206 389 F HA 0.242 4.769 4.527 0.000 0.000 0.298 389 F C -0.182 175.259 175.800 -0.598 0.000 1.090 389 F CA 0.485 58.215 58.000 -0.450 0.000 1.323 389 F CB 0.138 38.750 39.000 -0.647 0.000 1.028 389 F HN 0.065 nan 8.300 nan 0.000 0.492 390 F N 2.072 122.126 119.950 0.174 0.000 2.303 390 F HA 0.348 4.875 4.527 0.000 0.000 0.368 390 F C -1.548 174.279 175.800 0.044 0.000 1.105 390 F CA -2.972 55.070 58.000 0.069 0.000 1.153 390 F CB -0.264 38.814 39.000 0.131 0.000 1.362 390 F HN -0.166 nan 8.300 nan 0.000 0.511 391 P HA 0.094 nan 4.420 nan 0.000 0.215 391 P C 0.647 178.019 177.300 0.120 0.000 1.157 391 P CA 1.007 64.158 63.100 0.086 0.000 0.859 391 P CB 0.550 32.259 31.700 0.015 0.000 0.786 392 G N -2.096 106.781 108.800 0.128 0.000 2.827 392 G HA2 0.311 4.271 3.960 0.000 0.000 0.296 392 G HA3 0.311 4.271 3.960 0.000 0.000 0.296 392 G C -1.722 173.291 174.900 0.189 0.000 1.362 392 G CA -0.604 44.584 45.100 0.148 0.000 0.809 392 G HN -0.038 nan 8.290 nan 0.000 0.522 393 Y N 1.532 121.870 120.300 0.063 0.000 2.802 393 Y HA 0.207 4.757 4.550 0.000 0.000 0.351 393 Y C 1.536 177.477 175.900 0.069 0.000 1.237 393 Y CA 0.446 58.582 58.100 0.060 0.000 1.599 393 Y CB -0.340 38.150 38.460 0.049 0.000 1.214 393 Y HN 0.636 nan 8.280 nan 0.000 0.520 394 R N 2.944 123.320 120.500 -0.206 0.000 3.416 394 R HA -0.249 4.091 4.340 0.000 0.000 0.263 394 R C -0.688 175.575 176.300 -0.063 0.000 1.053 394 R CA 1.091 57.064 56.100 -0.213 0.000 0.705 394 R CB -0.948 29.076 30.300 -0.461 0.000 1.124 394 R HN 0.632 nan 8.270 nan 0.000 0.444 395 K N -0.489 119.935 120.400 0.039 0.000 2.267 395 K HA 0.493 4.813 4.320 0.000 0.000 0.246 395 K C 0.508 177.108 176.600 -0.001 0.000 0.954 395 K CA -0.366 55.929 56.287 0.014 0.000 0.824 395 K CB 2.055 34.559 32.500 0.006 0.000 1.167 395 K HN 0.176 nan 8.250 nan 0.000 0.431 396 T N -2.472 111.990 114.554 -0.153 0.000 2.633 396 T HA 0.354 4.704 4.350 0.000 0.000 0.262 396 T C 1.055 175.426 174.700 -0.548 0.000 0.920 396 T CA -0.895 60.919 62.100 -0.477 0.000 1.062 396 T CB 0.193 68.643 68.868 -0.696 0.000 1.390 396 T HN 0.378 nan 8.240 nan 0.000 0.549 397 L N 0.145 120.839 121.223 -0.882 0.000 2.492 397 L HA 0.260 4.600 4.340 0.000 0.000 0.223 397 L C 0.652 177.325 176.870 -0.328 0.000 1.132 397 L CA -0.049 54.475 54.840 -0.527 0.000 0.850 397 L CB -0.338 41.402 42.059 -0.531 0.000 0.966 397 L HN 0.414 nan 8.230 nan 0.000 0.454 398 L N 1.171 122.201 121.223 -0.321 0.000 2.593 398 L HA -0.065 4.276 4.340 0.000 0.000 0.287 398 L C 1.011 177.808 176.870 -0.122 0.000 1.243 398 L CA 0.685 55.422 54.840 -0.171 0.000 0.890 398 L CB 0.472 42.452 42.059 -0.133 0.000 1.134 398 L HN 0.264 nan 8.230 nan 0.000 0.502 399 S N 4.301 119.950 115.700 -0.086 0.000 2.632 399 S HA 0.347 4.817 4.470 0.000 0.000 0.271 399 S C -1.661 172.909 174.600 -0.051 0.000 1.260 399 S CA -1.250 56.912 58.200 -0.064 0.000 1.010 399 S CB 1.645 64.814 63.200 -0.051 0.000 0.965 399 S HN 0.429 nan 8.310 nan 0.000 0.534 400 P HA -0.085 nan 4.420 nan 0.000 0.217 400 P C 0.345 177.628 177.300 -0.028 0.000 1.148 400 P CA 1.280 64.362 63.100 -0.029 0.000 0.828 400 P CB -0.101 31.588 31.700 -0.019 0.000 0.783 401 E N -1.104 119.078 120.200 -0.029 0.000 2.465 401 E HA 0.081 4.431 4.350 0.000 0.000 0.191 401 E C 0.273 176.855 176.600 -0.030 0.000 1.053 401 E CA 0.100 56.484 56.400 -0.026 0.000 0.869 401 E CB -0.484 29.201 29.700 -0.024 0.000 0.977 401 E HN 0.357 nan 8.360 nan 0.000 0.483 402 E N 1.024 121.202 120.200 -0.036 0.000 2.249 402 E HA 0.383 4.733 4.350 0.000 0.000 0.280 402 E C -0.348 176.229 176.600 -0.038 0.000 1.016 402 E CA -0.637 55.741 56.400 -0.037 0.000 0.830 402 E CB 0.940 30.614 29.700 -0.042 0.000 1.081 402 E HN 0.224 nan 8.360 nan 0.000 0.395 403 I N 0.429 120.977 120.570 -0.036 0.000 2.603 403 I HA 0.359 4.529 4.170 0.000 0.000 0.300 403 I C -0.784 175.315 176.117 -0.031 0.000 1.017 403 I CA -1.333 59.944 61.300 -0.037 0.000 1.098 403 I CB 1.045 39.020 38.000 -0.042 0.000 1.279 403 I HN 0.289 nan 8.210 nan 0.000 0.437 404 L N 4.887 126.094 121.223 -0.028 0.000 2.433 404 L HA 0.229 4.569 4.340 0.000 0.000 0.275 404 L C 0.363 177.209 176.870 -0.039 0.000 1.128 404 L CA 0.354 55.178 54.840 -0.026 0.000 0.875 404 L CB 0.670 42.717 42.059 -0.021 0.000 1.171 404 L HN 0.890 nan 8.230 nan 0.000 0.463 405 L N 4.050 125.248 121.223 -0.041 0.000 2.013 405 L HA 0.183 4.523 4.340 0.000 0.000 0.204 405 L C 0.672 177.510 176.870 -0.053 0.000 1.081 405 L CA 1.363 56.177 54.840 -0.044 0.000 0.751 405 L CB 0.048 42.083 42.059 -0.041 0.000 0.901 405 L HN 0.898 nan 8.230 nan 0.000 0.440 406 S N -1.716 113.945 115.700 -0.066 0.000 2.541 406 S HA 0.479 4.949 4.470 0.000 0.000 0.271 406 S C -0.882 173.652 174.600 -0.111 0.000 1.133 406 S CA -0.856 57.298 58.200 -0.076 0.000 0.876 406 S CB 1.564 64.722 63.200 -0.071 0.000 1.105 406 S HN 0.029 nan 8.310 nan 0.000 0.470 407 I N 1.513 122.006 120.570 -0.128 0.000 2.488 407 I HA 0.563 4.733 4.170 0.000 0.000 0.299 407 I C -0.065 175.969 176.117 -0.138 0.000 0.984 407 I CA -0.448 60.735 61.300 -0.195 0.000 1.250 407 I CB 1.409 39.215 38.000 -0.323 0.000 1.389 407 I HN 0.946 nan 8.210 nan 0.000 0.488 408 E N 7.118 127.221 120.200 -0.161 0.000 2.244 408 E HA 0.409 4.759 4.350 0.000 0.000 0.260 408 E C -1.512 175.014 176.600 -0.124 0.000 0.884 408 E CA -0.551 55.763 56.400 -0.143 0.000 0.777 408 E CB 1.117 30.731 29.700 -0.144 0.000 1.197 408 E HN 0.527 nan 8.360 nan 0.000 0.416 409 I N 6.625 127.120 120.570 -0.124 0.000 2.342 409 I HA 0.299 4.469 4.170 0.000 0.000 0.291 409 I C -2.084 173.933 176.117 -0.167 0.000 1.010 409 I CA -2.043 59.179 61.300 -0.130 0.000 1.308 409 I CB 1.375 39.225 38.000 -0.249 0.000 1.400 409 I HN 0.441 nan 8.210 nan 0.000 0.488 410 P HA 0.249 nan 4.420 nan 0.000 0.290 410 P C -1.253 176.197 177.300 0.249 0.000 1.275 410 P CA -0.481 62.655 63.100 0.059 0.000 0.841 410 P CB 0.549 32.299 31.700 0.084 0.000 1.042 411 Y N -0.342 120.111 120.300 0.255 0.000 2.385 411 Y HA 0.207 4.757 4.550 0.000 0.000 0.346 411 Y C 1.775 177.742 175.900 0.112 0.000 1.270 411 Y CA 0.348 58.552 58.100 0.173 0.000 1.472 411 Y CB 0.325 38.792 38.460 0.011 0.000 1.354 411 Y HN 0.261 nan 8.280 nan 0.000 0.611 412 S N 1.650 117.490 115.700 0.233 0.000 2.480 412 S HA 0.432 4.902 4.470 0.000 0.000 0.286 412 S C -0.239 174.384 174.600 0.039 0.000 1.180 412 S CA -0.952 57.322 58.200 0.123 0.000 1.075 412 S CB 0.310 63.572 63.200 0.103 0.000 0.996 412 S HN 0.615 nan 8.310 nan 0.000 0.487 413 R N 2.119 122.620 120.500 0.001 0.000 2.707 413 R HA 0.219 4.559 4.340 0.000 0.000 0.270 413 R C -0.070 176.169 176.300 -0.102 0.000 1.083 413 R CA -0.594 55.480 56.100 -0.043 0.000 1.182 413 R CB 0.257 30.534 30.300 -0.039 0.000 1.084 413 R HN 0.603 nan 8.270 nan 0.000 0.528 414 E N 1.016 121.161 120.200 -0.093 0.000 2.265 414 E HA 0.073 4.423 4.350 0.000 0.000 0.272 414 E C 0.626 177.138 176.600 -0.147 0.000 1.067 414 E CA 0.567 56.903 56.400 -0.106 0.000 0.900 414 E CB 0.777 30.441 29.700 -0.060 0.000 1.017 414 E HN 0.833 nan 8.360 nan 0.000 0.431 415 G N 3.723 112.359 108.800 -0.273 0.000 2.212 415 G HA2 -0.300 3.660 3.960 0.000 0.000 0.255 415 G HA3 -0.300 3.660 3.960 0.000 0.000 0.255 415 G C 0.082 174.625 174.900 -0.595 0.000 1.062 415 G CA 0.355 45.216 45.100 -0.397 0.000 0.815 415 G HN 0.470 nan 8.290 nan 0.000 0.497 416 E N -0.297 119.451 120.200 -0.753 0.000 2.165 416 E HA 0.653 5.003 4.350 0.000 0.000 0.266 416 E C -0.678 175.544 176.600 -0.631 0.000 0.889 416 E CA -0.944 55.124 56.400 -0.554 0.000 0.756 416 E CB 0.995 30.546 29.700 -0.249 0.000 1.131 416 E HN 0.331 nan 8.360 nan 0.000 0.411 417 Y N 3.170 123.416 120.300 -0.090 0.000 2.446 417 Y HA 0.496 5.046 4.550 0.000 0.000 0.345 417 Y C -0.734 175.236 175.900 0.116 0.000 0.984 417 Y CA -1.019 57.076 58.100 -0.009 0.000 1.058 417 Y CB 1.750 40.141 38.460 -0.114 0.000 1.220 417 Y HN 0.456 nan 8.280 nan 0.000 0.455 418 F N 1.944 122.041 119.950 0.245 0.000 2.573 418 F HA 0.582 5.109 4.527 0.000 0.000 0.316 418 F C -0.726 175.096 175.800 0.035 0.000 1.148 418 F CA -0.418 57.643 58.000 0.101 0.000 0.940 418 F CB 1.354 40.359 39.000 0.009 0.000 1.214 418 F HN 0.523 nan 8.300 nan 0.000 0.448 419 S N 2.932 118.822 115.700 0.317 0.000 2.745 419 S HA 0.975 5.445 4.470 0.000 0.000 0.306 419 S C -1.064 173.345 174.600 -0.318 0.000 1.137 419 S CA -0.906 57.267 58.200 -0.043 0.000 0.900 419 S CB 1.883 64.959 63.200 -0.206 0.000 1.176 419 S HN 0.793 nan 8.310 nan 0.000 0.520 420 A N 0.551 122.945 122.820 -0.710 0.000 2.515 420 A HA 0.866 5.186 4.320 0.000 0.000 0.298 420 A C -1.681 175.304 177.584 -0.999 0.000 1.059 420 A CA -0.666 50.970 52.037 -0.668 0.000 0.698 420 A CB 0.820 19.597 19.000 -0.371 0.000 1.289 420 A HN 0.638 nan 8.150 nan 0.000 0.404 421 F N 0.531 120.258 119.950 -0.372 0.000 2.578 421 F HA 0.666 5.193 4.527 0.000 0.000 0.311 421 F C 0.064 175.564 175.800 -0.501 0.000 1.094 421 F CA -0.644 56.991 58.000 -0.607 0.000 0.923 421 F CB 2.671 40.815 39.000 -1.428 0.000 1.230 421 F HN 0.577 nan 8.300 nan 0.000 0.450 422 K N 2.599 122.945 120.400 -0.089 0.000 2.507 422 K HA 0.537 4.857 4.320 0.000 0.000 0.251 422 K C -1.725 174.950 176.600 0.125 0.000 0.943 422 K CA -0.640 55.655 56.287 0.013 0.000 0.794 422 K CB 2.180 34.702 32.500 0.036 0.000 1.188 422 K HN 0.669 nan 8.250 nan 0.000 0.428 423 Q N 3.288 123.233 119.800 0.243 0.000 2.359 423 Q HA 0.669 5.009 4.340 0.000 0.000 0.274 423 Q C -1.651 174.417 176.000 0.115 0.000 1.074 423 Q CA -0.439 55.475 55.803 0.185 0.000 0.810 423 Q CB 2.205 31.104 28.738 0.268 0.000 1.342 423 Q HN 0.698 nan 8.270 nan 0.000 0.427 424 A N 2.178 125.053 122.820 0.091 0.000 3.658 424 A HA 0.943 5.263 4.320 0.000 0.000 0.188 424 A C -0.510 177.134 177.584 0.098 0.000 1.601 424 A CA 0.413 52.491 52.037 0.068 0.000 1.765 424 A CB 0.095 19.107 19.000 0.020 0.000 1.546 424 A HN 0.944 nan 8.150 nan 0.000 0.555 431 I N 0.643 121.167 120.570 -0.077 0.000 3.100 431 I HA 1.039 5.209 4.170 0.000 0.000 0.312 431 I C 0.772 176.775 176.117 -0.190 0.000 1.063 431 I CA -1.096 60.109 61.300 -0.158 0.000 1.031 431 I CB 0.676 38.503 38.000 -0.289 0.000 1.243 431 I HN 0.520 nan 8.210 nan 0.000 0.483 432 A N 1.237 123.943 122.820 -0.190 0.000 3.682 432 A HA 0.169 4.489 4.320 0.000 0.000 0.628 432 A C 0.390 177.915 177.584 -0.098 0.000 0.718 432 A CA 0.667 52.607 52.037 -0.161 0.000 0.282 432 A CB -1.654 17.233 19.000 -0.189 0.000 3.621 432 A HN 1.967 nan 8.150 nan 0.000 0.523 433 K N -2.936 117.409 120.400 -0.090 0.000 1.662 433 K HA 0.057 4.378 4.320 0.000 0.000 0.637 433 K C 0.097 176.660 176.600 -0.061 0.000 1.779 433 K CA 1.861 58.102 56.287 -0.077 0.000 1.097 433 K CB -1.558 30.937 32.500 -0.008 0.000 1.876 433 K HN 2.694 nan 8.250 nan 0.000 0.629 434 V N -3.548 116.386 119.914 0.033 0.000 3.236 434 V HA 0.776 4.896 4.120 0.000 0.000 0.287 434 V C -1.275 174.954 176.094 0.225 0.000 1.491 434 V CA 0.300 62.675 62.300 0.125 0.000 1.037 434 V CB 1.956 33.869 31.823 0.150 0.000 1.160 434 V HN 1.391 nan 8.190 nan 0.000 0.453 435 T N 1.686 116.344 114.554 0.173 0.000 2.923 435 T HA 0.791 5.141 4.350 0.000 0.000 0.311 435 T C -1.213 173.490 174.700 0.006 0.000 1.183 435 T CA 0.382 62.519 62.100 0.062 0.000 1.020 435 T CB 1.718 70.596 68.868 0.016 0.000 1.165 435 T HN 2.057 nan 8.240 nan 0.000 0.482 436 S N 1.657 117.272 115.700 -0.142 0.000 2.541 436 S HA 0.796 5.266 4.470 0.000 0.000 0.271 436 S C -0.478 173.944 174.600 -0.295 0.000 1.133 436 S CA -0.204 57.828 58.200 -0.280 0.000 0.876 436 S CB 1.455 64.419 63.200 -0.393 0.000 1.105 436 S HN 1.221 nan 8.310 nan 0.000 0.470 437 G N 3.049 111.686 108.800 -0.271 0.000 2.461 437 G HA2 0.673 4.633 3.960 0.000 0.000 0.323 437 G HA3 0.673 4.633 3.960 0.000 0.000 0.323 437 G C -1.007 173.668 174.900 -0.375 0.000 1.229 437 G CA -0.659 44.335 45.100 -0.177 0.000 0.941 437 G HN 0.652 nan 8.290 nan 0.000 0.477 438 M N 1.972 121.219 119.600 -0.589 0.000 2.327 438 M HA 0.526 5.006 4.480 0.000 0.000 0.298 438 M C -0.533 175.063 176.300 -1.174 0.000 1.065 438 M CA -0.752 54.008 55.300 -0.900 0.000 0.916 438 M CB 3.322 35.139 32.600 -1.305 0.000 1.630 438 M HN 0.458 nan 8.290 nan 0.000 0.442 439 R N 1.794 121.819 120.500 -0.791 0.000 2.628 439 R HA 0.855 5.195 4.340 0.000 0.000 0.288 439 R C -2.149 174.068 176.300 -0.137 0.000 0.980 439 R CA -0.624 55.144 56.100 -0.553 0.000 0.891 439 R CB 2.531 32.461 30.300 -0.618 0.000 1.188 439 R HN 0.658 nan 8.270 nan 0.000 0.450 440 V N 5.393 125.272 119.914 -0.057 0.000 2.888 440 V HA 0.576 4.696 4.120 0.000 0.000 0.309 440 V C -1.688 174.170 176.094 -0.394 0.000 1.114 440 V CA -0.823 61.373 62.300 -0.174 0.000 0.940 440 V CB 2.160 33.854 31.823 -0.214 0.000 1.021 440 V HN 0.681 nan 8.190 nan 0.000 0.426 441 L N 6.058 127.016 121.223 -0.443 0.000 2.410 441 L HA 0.762 5.102 4.340 0.000 0.000 0.270 441 L C -1.464 175.166 176.870 -0.399 0.000 0.983 441 L CA 0.043 54.645 54.840 -0.396 0.000 0.822 441 L CB 1.817 43.765 42.059 -0.185 0.000 1.285 441 L HN 0.527 nan 8.230 nan 0.000 0.409 442 F N 2.325 122.240 119.950 -0.058 0.000 2.483 442 F HA 0.502 5.029 4.527 0.000 0.000 0.329 442 F C 0.455 176.246 175.800 -0.016 0.000 1.064 442 F CA -0.904 57.085 58.000 -0.018 0.000 0.986 442 F CB 1.258 40.248 39.000 -0.016 0.000 1.218 442 F HN 0.350 nan 8.300 nan 0.000 0.484 443 K N 4.073 124.611 120.400 0.230 0.000 2.419 443 K HA 0.106 4.426 4.320 0.000 0.000 0.282 443 K C -2.335 174.323 176.600 0.096 0.000 1.056 443 K CA -1.489 54.870 56.287 0.120 0.000 1.035 443 K CB 0.291 32.852 32.500 0.102 0.000 0.921 443 K HN 0.193 nan 8.250 nan 0.000 0.472 444 P HA -0.044 nan 4.420 nan 0.000 0.267 444 P C 0.352 177.668 177.300 0.027 0.000 1.200 444 P CA 0.469 63.594 63.100 0.043 0.000 0.772 444 P CB 0.479 32.191 31.700 0.020 0.000 0.855 445 G N 0.870 109.681 108.800 0.019 0.000 2.187 445 G HA2 -0.198 3.762 3.960 0.000 0.000 0.261 445 G HA3 -0.198 3.762 3.960 0.000 0.000 0.261 445 G C 0.161 175.051 174.900 -0.016 0.000 1.000 445 G CA 0.740 45.841 45.100 0.002 0.000 0.718 445 G HN 1.003 nan 8.290 nan 0.000 0.519 446 T N -3.910 110.627 114.554 -0.028 0.000 2.821 446 T HA 0.629 4.979 4.350 0.000 0.000 0.306 446 T C -0.162 174.421 174.700 -0.196 0.000 1.313 446 T CA 0.287 62.339 62.100 -0.080 0.000 1.012 446 T CB 1.822 70.664 68.868 -0.043 0.000 1.298 446 T HN 1.199 nan 8.240 nan 0.000 0.502 447 T N 0.006 114.359 114.554 -0.336 0.000 2.916 447 T HA 0.380 4.730 4.350 0.000 0.000 0.303 447 T C 0.452 175.014 174.700 -0.230 0.000 1.025 447 T CA 0.713 62.437 62.100 -0.626 0.000 1.142 447 T CB 0.466 69.042 68.868 -0.486 0.000 0.947 447 T HN 0.949 nan 8.240 nan 0.000 0.544 448 E N 2.427 122.613 120.200 -0.025 0.000 2.932 448 E HA 0.271 4.621 4.350 0.000 0.000 0.275 448 E C -0.996 175.854 176.600 0.417 0.000 1.151 448 E CA 0.050 56.570 56.400 0.201 0.000 1.978 448 E CB 0.679 30.464 29.700 0.140 0.000 2.499 448 E HN 0.546 nan 8.360 nan 0.000 1.028 449 V N 2.545 122.785 119.914 0.543 0.000 2.839 449 V HA -0.125 3.995 4.120 0.000 0.000 0.400 449 V C 0.298 176.500 176.094 0.180 0.000 0.679 449 V CA 0.212 62.714 62.300 0.337 0.000 1.917 449 V CB 0.150 32.169 31.823 0.327 0.000 2.429 449 V HN 0.371 nan 8.190 nan 0.000 0.479 450 Q N 1.597 121.467 119.800 0.117 0.000 1.994 450 Q HA 0.069 4.409 4.340 0.000 0.000 0.198 450 Q C 0.739 176.757 176.000 0.030 0.000 0.976 450 Q CA 1.644 57.484 55.803 0.061 0.000 0.828 450 Q CB 0.382 29.146 28.738 0.043 0.000 0.894 450 Q HN 0.861 nan 8.270 nan 0.000 0.432 451 E N -0.397 119.797 120.200 -0.009 0.000 2.256 451 E HA 0.558 4.908 4.350 0.000 0.000 0.267 451 E C -1.423 175.165 176.600 -0.021 0.000 0.892 451 E CA -0.436 55.955 56.400 -0.015 0.000 0.775 451 E CB 2.185 31.866 29.700 -0.033 0.000 1.207 451 E HN 0.015 nan 8.360 nan 0.000 0.420 452 L N 1.687 122.919 121.223 0.015 0.000 2.526 452 L HA 0.812 5.152 4.340 0.000 0.000 0.263 452 L C -2.035 174.848 176.870 0.022 0.000 0.943 452 L CA -0.286 54.582 54.840 0.045 0.000 0.859 452 L CB 1.904 44.041 42.059 0.128 0.000 1.313 452 L HN 0.632 nan 8.230 nan 0.000 0.406 453 A N 5.579 128.394 122.820 -0.009 0.000 2.465 453 A HA 0.723 5.043 4.320 0.000 0.000 0.292 453 A C -1.877 175.653 177.584 -0.090 0.000 1.041 453 A CA -0.385 51.630 52.037 -0.037 0.000 0.718 453 A CB 1.248 20.223 19.000 -0.042 0.000 1.266 453 A HN 0.614 nan 8.150 nan 0.000 0.403 454 L N 2.161 123.362 121.223 -0.037 0.000 2.318 454 L HA 0.400 4.740 4.340 0.000 0.000 0.277 454 L C -0.912 175.934 176.870 -0.039 0.000 1.008 454 L CA -0.427 54.376 54.840 -0.063 0.000 0.846 454 L CB 1.201 43.319 42.059 0.099 0.000 1.220 454 L HN 0.694 nan 8.230 nan 0.000 0.423 455 C N 2.811 122.005 119.300 -0.177 0.000 2.322 455 C HA 0.552 5.012 4.460 0.000 0.000 0.324 455 C C -0.352 174.532 174.990 -0.176 0.000 1.284 455 C CA -0.662 58.317 59.018 -0.065 0.000 1.606 455 C CB 0.500 28.225 27.740 -0.025 0.000 2.251 455 C HN 0.500 nan 8.230 nan 0.000 0.502 456 Y N 1.339 121.651 120.300 0.020 0.000 2.326 456 Y HA 0.517 5.067 4.550 0.000 0.000 0.331 456 Y C 0.858 176.759 175.900 0.002 0.000 0.962 456 Y CA -0.032 58.083 58.100 0.025 0.000 1.167 456 Y CB 1.419 39.900 38.460 0.035 0.000 1.148 456 Y HN 0.853 nan 8.280 nan 0.000 0.463 457 G N 0.709 109.590 108.800 0.134 0.000 2.432 457 G HA2 0.430 4.391 3.960 0.000 0.000 0.257 457 G HA3 0.430 4.391 3.960 0.000 0.000 0.257 457 G C 0.779 175.722 174.900 0.072 0.000 1.238 457 G CA 0.109 45.246 45.100 0.061 0.000 0.838 457 G HN 1.201 nan 8.290 nan 0.000 0.547 458 G N 1.325 110.137 108.800 0.019 0.000 2.157 458 G HA2 -0.240 3.720 3.960 0.000 0.000 0.239 458 G HA3 -0.240 3.720 3.960 0.000 0.000 0.239 458 G C 1.011 175.887 174.900 -0.039 0.000 0.982 458 G CA 0.569 45.660 45.100 -0.015 0.000 0.650 458 G HN 0.520 nan 8.290 nan 0.000 0.527 459 M N -0.274 119.314 119.600 -0.021 0.000 2.367 459 M HA 0.543 5.023 4.480 0.000 0.000 0.256 459 M C 1.243 177.505 176.300 -0.064 0.000 1.091 459 M CA 1.194 56.456 55.300 -0.065 0.000 1.049 459 M CB 0.441 32.987 32.600 -0.089 0.000 1.406 459 M HN 0.683 nan 8.290 nan 0.000 0.498 460 A N -0.057 122.743 122.820 -0.034 0.000 2.686 460 A HA 0.514 4.834 4.320 0.000 0.000 0.263 460 A C 0.793 178.368 177.584 -0.015 0.000 1.264 460 A CA -0.374 51.648 52.037 -0.024 0.000 0.799 460 A CB 0.258 19.261 19.000 0.004 0.000 1.363 460 A HN 0.130 nan 8.150 nan 0.000 0.507 461 N N -0.025 118.680 118.700 0.008 0.000 2.091 461 N HA -0.137 4.603 4.740 0.000 0.000 0.193 461 N C 0.400 175.974 175.510 0.107 0.000 1.021 461 N CA 1.866 54.952 53.050 0.060 0.000 0.862 461 N CB -0.388 38.147 38.487 0.081 0.000 1.018 461 N HN 0.605 nan 8.380 nan 0.000 0.429 462 R N -3.019 117.515 120.500 0.058 0.000 2.781 462 R HA 0.407 4.747 4.340 0.000 0.000 0.268 462 R C -0.914 175.359 176.300 -0.045 0.000 1.047 462 R CA -0.749 55.351 56.100 0.001 0.000 0.925 462 R CB 0.150 30.494 30.300 0.072 0.000 1.246 462 R HN -0.305 nan 8.270 nan 0.000 0.456 463 T N 3.102 117.540 114.554 -0.193 0.000 2.754 463 T HA 0.211 4.561 4.350 0.000 0.000 0.282 463 T C 0.545 175.273 174.700 0.048 0.000 0.923 463 T CA -0.196 61.825 62.100 -0.132 0.000 1.164 463 T CB -0.522 68.128 68.868 -0.363 0.000 0.873 463 T HN 0.395 nan 8.240 nan 0.000 0.537 464 I N 0.084 120.712 120.570 0.097 0.000 2.676 464 I HA 0.728 4.898 4.170 0.000 0.000 0.309 464 I C 0.030 176.246 176.117 0.164 0.000 0.990 464 I CA -0.846 60.539 61.300 0.142 0.000 1.168 464 I CB 1.913 39.979 38.000 0.111 0.000 1.343 464 I HN 0.389 nan 8.210 nan 0.000 0.482 465 S N 3.042 118.828 115.700 0.143 0.000 2.489 465 S HA 0.554 5.025 4.470 0.000 0.000 0.291 465 S C 1.158 175.799 174.600 0.069 0.000 1.151 465 S CA 0.162 58.426 58.200 0.107 0.000 1.082 465 S CB 1.381 64.630 63.200 0.082 0.000 1.019 465 S HN 1.052 nan 8.310 nan 0.000 0.492 466 A N 4.179 127.057 122.820 0.096 0.000 1.813 466 A HA -0.313 4.007 4.320 0.000 0.000 0.282 466 A C 1.946 179.530 177.584 -0.000 0.000 2.939 466 A CA 2.911 54.984 52.037 0.061 0.000 0.824 466 A CB -1.919 17.103 19.000 0.037 0.000 0.815 466 A HN 1.395 nan 8.150 nan 0.000 0.565 467 L N -2.481 118.718 121.223 -0.040 0.000 2.127 467 L HA -0.079 4.261 4.340 0.000 0.000 0.211 467 L C 2.009 178.850 176.870 -0.048 0.000 1.089 467 L CA 2.433 57.234 54.840 -0.065 0.000 0.757 467 L CB -1.019 40.952 42.059 -0.146 0.000 0.899 467 L HN 0.350 nan 8.230 nan 0.000 0.434 468 K N 0.222 120.596 120.400 -0.043 0.000 2.020 468 K HA -0.180 4.140 4.320 0.000 0.000 0.212 468 K C 2.051 178.635 176.600 -0.027 0.000 1.050 468 K CA 2.474 58.743 56.287 -0.031 0.000 0.929 468 K CB -0.624 31.861 32.500 -0.026 0.000 0.714 468 K HN 0.552 nan 8.250 nan 0.000 0.443 469 T N 0.358 114.892 114.554 -0.033 0.000 2.684 469 T HA -0.161 4.189 4.350 0.000 0.000 0.267 469 T C 1.990 176.668 174.700 -0.036 0.000 1.036 469 T CA 1.857 63.931 62.100 -0.043 0.000 1.148 469 T CB -0.576 68.254 68.868 -0.064 0.000 0.863 469 T HN 0.278 nan 8.240 nan 0.000 0.436 470 T N 1.411 115.950 114.554 -0.024 0.000 2.597 470 T HA -0.236 4.114 4.350 0.000 0.000 0.267 470 T C 2.036 176.741 174.700 0.008 0.000 1.053 470 T CA 1.976 64.076 62.100 -0.001 0.000 1.165 470 T CB -0.452 68.418 68.868 0.004 0.000 0.863 470 T HN 0.344 nan 8.240 nan 0.000 0.427 471 Q N 1.007 120.807 119.800 -0.001 0.000 1.861 471 Q HA -0.218 4.122 4.340 0.000 0.000 0.242 471 Q C 2.240 178.250 176.000 0.016 0.000 1.025 471 Q CA 2.525 58.332 55.803 0.007 0.000 0.886 471 Q CB -0.459 28.278 28.738 -0.001 0.000 0.969 471 Q HN 0.504 nan 8.270 nan 0.000 0.418 472 R N -0.697 119.808 120.500 0.009 0.000 2.178 472 R HA -0.271 4.069 4.340 0.000 0.000 0.257 472 R C 1.750 178.064 176.300 0.023 0.000 1.163 472 R CA 1.993 58.101 56.100 0.012 0.000 0.981 472 R CB -0.243 30.058 30.300 0.002 0.000 0.878 472 R HN 0.371 nan 8.270 nan 0.000 0.454 473 Q N 0.358 120.173 119.800 0.025 0.000 2.436 473 Q HA 0.034 4.374 4.340 0.000 0.000 0.209 473 Q C 0.488 176.536 176.000 0.081 0.000 0.965 473 Q CA 0.379 56.210 55.803 0.046 0.000 0.910 473 Q CB -0.193 28.569 28.738 0.040 0.000 0.980 473 Q HN 0.374 nan 8.270 nan 0.000 0.491 474 L N 2.075 123.339 121.223 0.069 0.000 2.455 474 L HA -0.035 4.305 4.340 0.000 0.000 0.272 474 L C 0.127 177.046 176.870 0.082 0.000 1.174 474 L CA 0.199 55.086 54.840 0.079 0.000 0.869 474 L CB 0.334 42.427 42.059 0.057 0.000 1.130 474 L HN 0.316 nan 8.230 nan 0.000 0.474 475 S N 1.691 117.454 115.700 0.105 0.000 3.336 475 S HA -0.243 4.227 4.470 0.000 0.000 0.362 475 S C 0.060 174.722 174.600 0.103 0.000 0.941 475 S CA 1.118 59.386 58.200 0.112 0.000 1.297 475 S CB -1.478 61.776 63.200 0.089 0.000 0.915 475 S HN 0.765 nan 8.310 nan 0.000 0.527 476 K N 0.356 120.833 120.400 0.129 0.000 2.385 476 K HA 0.828 5.148 4.320 0.000 0.000 0.274 476 K C -0.040 176.647 176.600 0.144 0.000 0.981 476 K CA -0.830 55.527 56.287 0.116 0.000 1.400 476 K CB 0.284 32.842 32.500 0.097 0.000 2.019 476 K HN 0.301 nan 8.250 nan 0.000 0.855 477 L N -0.087 121.216 121.223 0.134 0.000 2.409 477 L HA 0.285 4.625 4.340 0.000 0.000 0.262 477 L C -1.102 175.876 176.870 0.180 0.000 0.992 477 L CA -0.523 54.407 54.840 0.150 0.000 0.817 477 L CB 1.784 43.892 42.059 0.082 0.000 1.350 477 L HN 0.506 nan 8.230 nan 0.000 0.411 478 W N 4.637 125.933 121.300 -0.006 0.000 2.518 478 W HA 0.201 4.861 4.660 0.000 0.000 0.439 478 W C -0.305 176.162 176.519 -0.088 0.000 1.075 478 W CA 0.374 57.671 57.345 -0.080 0.000 1.646 478 W CB 0.230 29.600 29.460 -0.150 0.000 1.721 478 W HN 0.511 nan 8.180 nan 0.000 0.386 479 K N 1.711 122.094 120.400 -0.029 0.000 2.579 479 K HA -0.029 4.291 4.320 0.000 0.000 0.284 479 K C 0.712 177.423 176.600 0.184 0.000 0.990 479 K CA -0.735 55.618 56.287 0.110 0.000 0.880 479 K CB 2.017 34.571 32.500 0.090 0.000 1.488 479 K HN 0.019 nan 8.250 nan 0.000 0.425 480 E N 1.313 121.629 120.200 0.194 0.000 2.132 480 E HA -0.275 4.075 4.350 0.000 0.000 0.218 480 E C 0.546 177.205 176.600 0.099 0.000 1.058 480 E CA 2.348 58.830 56.400 0.136 0.000 0.882 480 E CB 0.095 29.852 29.700 0.095 0.000 0.774 480 E HN 0.521 nan 8.360 nan 0.000 0.467 481 E N -0.752 119.495 120.200 0.079 0.000 2.516 481 E HA -0.030 4.320 4.350 0.000 0.000 0.199 481 E C 1.646 178.277 176.600 0.053 0.000 1.069 481 E CA 0.458 56.894 56.400 0.059 0.000 0.876 481 E CB -0.032 29.696 29.700 0.047 0.000 0.843 481 E HN 0.341 nan 8.360 nan 0.000 0.530 482 L N -0.059 121.200 121.223 0.061 0.000 2.127 482 L HA 0.029 4.369 4.340 0.000 0.000 0.203 482 L C 1.835 178.749 176.870 0.073 0.000 1.080 482 L CA 0.941 55.800 54.840 0.030 0.000 0.768 482 L CB -0.264 41.769 42.059 -0.043 0.000 0.924 482 L HN 0.160 nan 8.230 nan 0.000 0.444 483 L N -0.029 121.300 121.223 0.175 0.000 2.079 483 L HA -0.203 4.137 4.340 0.000 0.000 0.210 483 L C 2.454 179.402 176.870 0.130 0.000 1.081 483 L CA 1.817 56.776 54.840 0.199 0.000 0.752 483 L CB -0.954 41.028 42.059 -0.128 0.000 0.896 483 L HN 0.451 nan 8.230 nan 0.000 0.433 484 Q N -0.800 119.050 119.800 0.084 0.000 2.016 484 Q HA -0.206 4.134 4.340 0.000 0.000 0.200 484 Q C 2.028 178.048 176.000 0.035 0.000 0.978 484 Q CA 1.699 57.542 55.803 0.067 0.000 0.833 484 Q CB -0.615 28.155 28.738 0.054 0.000 0.895 484 Q HN 0.544 nan 8.270 nan 0.000 0.427 485 D N 0.485 120.895 120.400 0.017 0.000 2.144 485 D HA -0.105 4.535 4.640 0.000 0.000 0.199 485 D C 1.985 178.257 176.300 -0.048 0.000 0.984 485 D CA 0.524 54.519 54.000 -0.009 0.000 0.834 485 D CB 0.188 40.985 40.800 -0.004 0.000 0.955 485 D HN -0.016 nan 8.370 nan 0.000 0.465 486 V N 0.214 120.074 119.914 -0.089 0.000 2.237 486 V HA -0.308 3.812 4.120 0.000 0.000 0.245 486 V C 2.842 178.828 176.094 -0.180 0.000 1.046 486 V CA 1.744 63.909 62.300 -0.224 0.000 1.007 486 V CB -0.707 30.821 31.823 -0.492 0.000 0.638 486 V HN 0.341 nan 8.190 nan 0.000 0.445 487 C N 0.398 119.644 119.300 -0.089 0.000 2.422 487 C HA -0.028 4.432 4.460 0.000 0.000 0.279 487 C C 3.080 178.054 174.990 -0.026 0.000 1.305 487 C CA 0.388 59.382 59.018 -0.040 0.000 1.757 487 C CB -1.559 26.200 27.740 0.032 0.000 1.962 487 C HN 0.637 nan 8.230 nan 0.000 0.499 488 A N 1.205 124.015 122.820 -0.016 0.000 1.883 488 A HA 0.011 4.331 4.320 0.000 0.000 0.217 488 A C 2.420 179.984 177.584 -0.033 0.000 1.186 488 A CA 2.199 54.227 52.037 -0.015 0.000 0.624 488 A CB -1.251 17.743 19.000 -0.009 0.000 0.822 488 A HN 0.551 nan 8.150 nan 0.000 0.444 489 G N -1.000 107.770 108.800 -0.050 0.000 2.511 489 G HA2 0.045 4.005 3.960 0.000 0.000 0.217 489 G HA3 0.045 4.005 3.960 0.000 0.000 0.217 489 G C 1.428 176.288 174.900 -0.066 0.000 1.133 489 G CA 0.632 45.699 45.100 -0.055 0.000 0.792 489 G HN 0.415 nan 8.290 nan 0.000 0.539 490 L N 0.272 121.445 121.223 -0.082 0.000 2.313 490 L HA 0.089 4.429 4.340 0.000 0.000 0.214 490 L C 3.110 179.930 176.870 -0.083 0.000 1.119 490 L CA 0.761 55.541 54.840 -0.099 0.000 0.809 490 L CB -0.070 41.922 42.059 -0.112 0.000 0.933 490 L HN 0.318 nan 8.230 nan 0.000 0.449 491 A N -0.542 122.248 122.820 -0.051 0.000 2.021 491 A HA -0.141 4.179 4.320 0.000 0.000 0.216 491 A C 2.157 179.740 177.584 -0.001 0.000 1.163 491 A CA 0.953 52.976 52.037 -0.022 0.000 0.676 491 A CB -0.078 18.918 19.000 -0.008 0.000 0.818 491 A HN 0.415 nan 8.150 nan 0.000 0.453 492 E N 0.057 120.243 120.200 -0.025 0.000 2.024 492 E HA -0.162 4.188 4.350 0.000 0.000 0.190 492 E C 1.915 178.514 176.600 -0.002 0.000 0.974 492 E CA 0.951 57.332 56.400 -0.031 0.000 0.810 492 E CB -0.267 29.408 29.700 -0.042 0.000 0.775 492 E HN 0.604 nan 8.360 nan 0.000 0.453 493 E N -0.046 120.143 120.200 -0.019 0.000 2.035 493 E HA -0.209 4.141 4.350 0.000 0.000 0.204 493 E C 0.697 177.294 176.600 -0.005 0.000 1.025 493 E CA 1.552 57.942 56.400 -0.016 0.000 0.835 493 E CB -0.060 29.619 29.700 -0.034 0.000 0.764 493 E HN 0.224 nan 8.360 nan 0.000 0.457 494 L N 1.541 122.743 121.223 -0.035 0.000 2.990 494 L HA 0.163 4.503 4.340 0.000 0.000 0.231 494 L C 0.421 177.278 176.870 -0.022 0.000 1.341 494 L CA -0.008 54.796 54.840 -0.060 0.000 1.208 494 L CB -0.017 41.949 42.059 -0.154 0.000 1.571 494 L HN 0.203 nan 8.230 nan 0.000 0.453 495 H N 1.248 120.278 119.070 -0.068 0.000 2.652 495 H HA 0.325 4.881 4.556 0.000 0.000 0.349 495 H C -0.732 174.566 175.328 -0.050 0.000 1.099 495 H CA -0.500 55.515 56.048 -0.055 0.000 1.417 495 H CB 1.099 30.838 29.762 -0.039 0.000 1.457 495 H HN 0.193 nan 8.280 nan 0.000 0.568 496 L N 7.439 128.311 121.223 -0.585 0.000 2.272 496 L HA 0.278 4.619 4.340 0.000 0.000 0.289 496 L C -1.874 174.626 176.870 -0.618 0.000 1.032 496 L CA -2.012 52.529 54.840 -0.498 0.000 0.810 496 L CB 1.724 43.623 42.059 -0.266 0.000 1.205 496 L HN 0.592 nan 8.230 nan 0.000 0.422 497 P HA 0.181 nan 4.420 nan 0.000 0.272 497 P C -2.377 174.855 177.300 -0.114 0.000 1.223 497 P CA -1.390 61.608 63.100 -0.170 0.000 0.784 497 P CB 0.336 31.992 31.700 -0.073 0.000 0.923 498 P HA -0.119 nan 4.420 nan 0.000 0.225 498 P C 0.849 178.156 177.300 0.013 0.000 1.156 498 P CA 1.151 64.244 63.100 -0.012 0.000 0.787 498 P CB -0.204 31.506 31.700 0.016 0.000 0.802 499 D N -0.240 120.170 120.400 0.017 0.000 2.310 499 D HA -0.013 4.627 4.640 0.000 0.000 0.212 499 D C 0.729 177.046 176.300 0.029 0.000 0.965 499 D CA 0.028 54.053 54.000 0.042 0.000 0.879 499 D CB -0.714 40.114 40.800 0.048 0.000 0.921 499 D HN 0.050 nan 8.370 nan 0.000 0.510 500 A N 1.576 124.381 122.820 -0.025 0.000 2.603 500 A HA 0.191 4.511 4.320 0.000 0.000 0.235 500 A C -1.728 175.797 177.584 -0.098 0.000 1.035 500 A CA -0.631 51.366 52.037 -0.066 0.000 0.755 500 A CB -0.236 18.700 19.000 -0.107 0.000 0.954 500 A HN 0.301 nan 8.150 nan 0.000 0.511 501 P HA 0.469 nan 4.420 nan 0.000 0.276 501 P C 0.906 177.748 177.300 -0.763 0.000 1.252 501 P CA 0.841 63.741 63.100 -0.333 0.000 0.802 501 P CB 1.217 32.840 31.700 -0.127 0.000 1.035 502 G N -0.568 107.201 108.800 -1.719 0.000 2.358 502 G HA2 -0.007 3.953 3.960 0.000 0.000 0.224 502 G HA3 -0.007 3.953 3.960 0.000 0.000 0.224 502 G C 0.607 175.081 174.900 -0.711 0.000 1.073 502 G CA 0.312 44.581 45.100 -1.386 0.000 0.635 502 G HN 1.072 nan 8.290 nan 0.000 0.509 503 G N -1.033 107.567 108.800 -0.332 0.000 2.645 503 G HA2 0.098 4.058 3.960 0.000 0.000 0.239 503 G HA3 0.098 4.058 3.960 0.000 0.000 0.239 503 G C 0.689 175.589 174.900 0.002 0.000 1.331 503 G CA 1.004 46.092 45.100 -0.021 0.000 0.890 503 G HN 1.861 nan 8.290 nan 0.000 0.572 504 M N -1.720 117.936 119.600 0.093 0.000 2.976 504 M HA -0.280 4.201 4.480 0.000 0.000 0.209 504 M C 1.674 178.033 176.300 0.098 0.000 0.579 504 M CA 1.241 56.615 55.300 0.124 0.000 0.783 504 M CB -2.070 30.619 32.600 0.148 0.000 2.807 504 M HN 1.462 nan 8.290 nan 0.000 0.362 505 V N -0.938 119.005 119.914 0.048 0.000 2.233 505 V HA -0.266 3.854 4.120 0.000 0.000 0.247 505 V C 1.627 177.730 176.094 0.014 0.000 1.050 505 V CA 2.498 64.799 62.300 0.002 0.000 1.010 505 V CB -0.877 30.924 31.823 -0.036 0.000 0.637 505 V HN 0.576 nan 8.190 nan 0.000 0.444 506 D N -0.004 120.421 120.400 0.042 0.000 2.351 506 D HA -0.156 4.484 4.640 0.000 0.000 0.216 506 D C 1.634 177.998 176.300 0.108 0.000 0.968 506 D CA 0.867 54.899 54.000 0.053 0.000 0.899 506 D CB -0.516 40.316 40.800 0.055 0.000 0.907 506 D HN 0.466 nan 8.370 nan 0.000 0.514 507 F N 1.922 121.855 119.950 -0.029 0.000 2.053 507 F HA 0.041 4.569 4.527 0.000 0.000 0.292 507 F C 2.047 177.808 175.800 -0.065 0.000 1.125 507 F CA 0.980 58.956 58.000 -0.040 0.000 1.193 507 F CB -0.318 38.671 39.000 -0.020 0.000 0.996 507 F HN -0.236 nan 8.300 nan 0.000 0.470 508 R N -0.300 120.130 120.500 -0.116 0.000 2.133 508 R HA -0.264 4.076 4.340 0.000 0.000 0.247 508 R C 2.446 178.620 176.300 -0.211 0.000 1.151 508 R CA 1.554 57.499 56.100 -0.258 0.000 0.971 508 R CB -1.524 28.680 30.300 -0.160 0.000 0.866 508 R HN 0.494 nan 8.270 nan 0.000 0.447 509 c N 0.028 118.558 118.600 -0.117 0.000 2.667 509 c HA -0.095 4.475 4.570 0.000 0.000 0.287 509 c C 2.609 176.621 174.090 -0.130 0.000 1.256 509 c CA 1.456 57.719 56.329 -0.109 0.000 1.738 509 c CB -0.949 41.532 42.510 -0.048 0.000 2.113 509 c HN 0.479 nan 8.230 nan 0.000 0.470 510 T N 1.596 116.107 114.554 -0.072 0.000 2.736 510 T HA -0.270 4.080 4.350 0.000 0.000 0.265 510 T C 1.537 176.129 174.700 -0.181 0.000 1.031 510 T CA 2.365 64.426 62.100 -0.065 0.000 1.155 510 T CB -0.550 68.326 68.868 0.013 0.000 0.849 510 T HN 0.591 nan 8.240 nan 0.000 0.471 511 L N 0.875 121.928 121.223 -0.284 0.000 2.042 511 L HA -0.168 4.173 4.340 0.000 0.000 0.210 511 L C 3.027 179.631 176.870 -0.443 0.000 1.076 511 L CA 1.857 56.376 54.840 -0.536 0.000 0.749 511 L CB -1.184 40.455 42.059 -0.700 0.000 0.893 511 L HN 0.481 nan 8.230 nan 0.000 0.432 512 T N -1.526 112.911 114.554 -0.194 0.000 2.653 512 T HA -0.266 4.084 4.350 0.000 0.000 0.268 512 T C 1.752 176.484 174.700 0.052 0.000 1.035 512 T CA 1.822 63.903 62.100 -0.032 0.000 1.154 512 T CB -0.720 67.961 68.868 -0.313 0.000 0.862 512 T HN 0.295 nan 8.240 nan 0.000 0.441 513 L N 1.023 122.178 121.223 -0.114 0.000 2.068 513 L HA 0.017 4.357 4.340 0.000 0.000 0.204 513 L C 3.205 179.937 176.870 -0.231 0.000 1.076 513 L CA 1.460 56.206 54.840 -0.156 0.000 0.753 513 L CB -0.926 40.934 42.059 -0.332 0.000 0.910 513 L HN 0.353 nan 8.230 nan 0.000 0.439 514 S N 0.026 115.500 115.700 -0.377 0.000 2.402 514 S HA -0.092 4.378 4.470 0.000 0.000 0.229 514 S C 1.881 176.379 174.600 -0.169 0.000 1.021 514 S CA 1.166 59.124 58.200 -0.404 0.000 0.974 514 S CB -0.511 62.497 63.200 -0.320 0.000 0.800 514 S HN 0.278 nan 8.310 nan 0.000 0.484 515 F N 0.570 120.431 119.950 -0.148 0.000 2.146 515 F HA -0.057 4.471 4.527 0.000 0.000 0.298 515 F C 2.214 178.020 175.800 0.010 0.000 1.096 515 F CA 0.837 58.687 58.000 -0.251 0.000 1.275 515 F CB -0.314 38.679 39.000 -0.012 0.000 1.008 515 F HN 0.183 nan 8.300 nan 0.000 0.480 516 F N 0.364 120.483 119.950 0.283 0.000 2.134 516 F HA -0.256 4.271 4.527 0.000 0.000 0.299 516 F C 2.146 178.133 175.800 0.311 0.000 1.097 516 F CA 1.236 59.446 58.000 0.350 0.000 1.264 516 F CB -0.837 38.325 39.000 0.270 0.000 1.001 516 F HN -0.016 nan 8.300 nan 0.000 0.479 517 F N 1.192 121.023 119.950 -0.197 0.000 2.075 517 F HA -0.146 4.381 4.527 0.000 0.000 0.297 517 F C 2.430 178.081 175.800 -0.250 0.000 1.113 517 F CA 1.934 59.730 58.000 -0.340 0.000 1.218 517 F CB -0.591 38.108 39.000 -0.501 0.000 0.984 517 F HN -0.203 nan 8.300 nan 0.000 0.472 518 K N -0.473 119.840 120.400 -0.145 0.000 2.107 518 K HA -0.278 4.042 4.320 0.000 0.000 0.211 518 K C 2.074 178.640 176.600 -0.056 0.000 1.049 518 K CA 2.134 58.304 56.287 -0.194 0.000 0.927 518 K CB -0.679 31.672 32.500 -0.248 0.000 0.714 518 K HN 0.395 nan 8.250 nan 0.000 0.452 519 F N 0.340 120.241 119.950 -0.082 0.000 2.128 519 F HA -0.183 4.344 4.527 0.000 0.000 0.295 519 F C 2.133 177.928 175.800 -0.009 0.000 1.100 519 F CA 1.050 59.102 58.000 0.087 0.000 1.260 519 F CB -0.843 38.271 39.000 0.190 0.000 1.009 519 F HN 0.076 nan 8.300 nan 0.000 0.476 520 Y N 0.297 120.257 120.300 -0.567 0.000 2.151 520 Y HA -0.273 4.277 4.550 0.000 0.000 0.284 520 Y C 2.107 177.912 175.900 -0.159 0.000 1.166 520 Y CA 1.959 59.825 58.100 -0.390 0.000 1.163 520 Y CB -0.380 37.715 38.460 -0.609 0.000 0.974 520 Y HN 0.171 nan 8.280 nan 0.000 0.511 521 L N -0.164 121.077 121.223 0.029 0.000 2.005 521 L HA -0.216 4.124 4.340 0.000 0.000 0.207 521 L C 2.659 179.493 176.870 -0.060 0.000 1.072 521 L CA 2.160 56.997 54.840 -0.006 0.000 0.744 521 L CB -0.743 41.150 42.059 -0.277 0.000 0.895 521 L HN 0.386 nan 8.230 nan 0.000 0.433 522 T N -3.715 110.783 114.554 -0.093 0.000 3.098 522 T HA -0.097 4.253 4.350 0.000 0.000 0.266 522 T C 1.725 176.297 174.700 -0.213 0.000 1.145 522 T CA 0.686 62.734 62.100 -0.086 0.000 1.092 522 T CB -0.484 68.401 68.868 0.028 0.000 0.908 522 T HN 0.071 nan 8.240 nan 0.000 0.526 523 V N 1.320 121.018 119.914 -0.359 0.000 2.229 523 V HA -0.065 4.055 4.120 0.000 0.000 0.243 523 V C 2.640 178.457 176.094 -0.461 0.000 1.042 523 V CA 1.519 63.470 62.300 -0.581 0.000 1.000 523 V CB -0.653 30.591 31.823 -0.964 0.000 0.637 523 V HN 0.440 nan 8.190 nan 0.000 0.446 524 L N -0.185 120.862 121.223 -0.293 0.000 2.021 524 L HA -0.343 3.997 4.340 0.000 0.000 0.215 524 L C 2.684 179.457 176.870 -0.161 0.000 1.074 524 L CA 2.400 57.139 54.840 -0.169 0.000 0.760 524 L CB -0.578 41.480 42.059 -0.001 0.000 0.889 524 L HN 0.508 nan 8.230 nan 0.000 0.433 525 Q N -0.028 119.688 119.800 -0.140 0.000 2.308 525 Q HA -0.239 4.101 4.340 0.000 0.000 0.209 525 Q C 1.738 177.647 176.000 -0.152 0.000 0.985 525 Q CA 1.508 57.245 55.803 -0.109 0.000 0.881 525 Q CB 0.032 28.720 28.738 -0.082 0.000 0.917 525 Q HN 0.067 nan 8.270 nan 0.000 0.443 526 K N -0.213 120.028 120.400 -0.266 0.000 2.437 526 K HA 0.177 4.497 4.320 0.000 0.000 0.205 526 K C -0.508 175.926 176.600 -0.278 0.000 1.026 526 K CA 0.029 56.122 56.287 -0.323 0.000 1.153 526 K CB 0.236 32.415 32.500 -0.534 0.000 0.863 526 K HN 0.178 nan 8.250 nan 0.000 0.502 527 L N -2.154 118.950 121.223 -0.198 0.000 2.961 527 L HA 0.476 4.816 4.340 0.000 0.000 0.229 527 L C 0.894 177.715 176.870 -0.081 0.000 2.040 527 L CA -0.876 53.889 54.840 -0.124 0.000 2.399 527 L CB -0.828 41.139 42.059 -0.154 0.000 2.432 527 L HN -0.141 nan 8.230 nan 0.000 0.587 528 G N 0.664 109.422 108.800 -0.069 0.000 2.354 528 G HA2 0.467 4.427 3.960 0.000 0.000 0.266 528 G HA3 0.467 4.427 3.960 0.000 0.000 0.266 528 G C -0.244 174.630 174.900 -0.043 0.000 1.242 528 G CA 0.064 45.136 45.100 -0.046 0.000 0.923 528 G HN 0.479 nan 8.290 nan 0.000 0.476 529 Q N 2.566 122.352 119.800 -0.023 0.000 2.248 529 Q HA 0.059 4.399 4.340 0.000 0.000 0.324 529 Q C -0.454 175.551 176.000 0.008 0.000 0.867 529 Q CA -0.571 55.218 55.803 -0.023 0.000 1.101 529 Q CB 0.017 28.735 28.738 -0.033 0.000 1.328 529 Q HN 0.457 nan 8.270 nan 0.000 0.408 530 E N 1.517 121.736 120.200 0.032 0.000 1.976 530 E HA -0.198 4.152 4.350 0.000 0.000 0.297 530 E C -0.667 175.957 176.600 0.040 0.000 0.595 530 E CA 0.738 57.165 56.400 0.045 0.000 1.082 530 E CB -1.272 28.470 29.700 0.070 0.000 0.708 530 E HN 0.475 nan 8.360 nan 0.000 0.384 531 N N 1.568 120.285 118.700 0.028 0.000 2.497 531 N HA 0.114 4.854 4.740 0.000 0.000 0.271 531 N C 1.013 176.540 175.510 0.028 0.000 1.142 531 N CA -0.476 52.590 53.050 0.026 0.000 0.965 531 N CB 0.659 39.157 38.487 0.018 0.000 1.077 531 N HN 0.201 nan 8.380 nan 0.000 0.462 532 L N 2.248 123.488 121.223 0.028 0.000 1.947 532 L HA 0.098 4.438 4.340 0.000 0.000 0.211 532 L C 0.973 177.853 176.870 0.017 0.000 1.098 532 L CA 0.950 55.803 54.840 0.022 0.000 0.767 532 L CB -0.514 41.558 42.059 0.021 0.000 0.891 532 L HN 0.736 nan 8.230 nan 0.000 0.436 559 Q N 3.516 123.325 119.800 0.015 0.000 2.313 559 Q HA 0.774 5.114 4.340 0.000 0.000 0.255 559 Q C -1.416 174.642 176.000 0.096 0.000 0.944 559 Q CA -0.581 55.233 55.803 0.018 0.000 0.881 559 Q CB 2.288 31.011 28.738 -0.026 0.000 1.375 559 Q HN 0.666 nan 8.270 nan 0.000 0.422 560 L N -0.478 120.818 121.223 0.121 0.000 2.327 560 L HA 0.979 5.319 4.340 0.000 0.000 0.258 560 L C -0.621 176.436 176.870 0.311 0.000 1.024 560 L CA -1.004 53.968 54.840 0.220 0.000 0.825 560 L CB 1.062 43.154 42.059 0.054 0.000 1.386 560 L HN 0.654 nan 8.230 nan 0.000 0.417 561 F N -2.252 117.674 119.950 -0.040 0.000 3.052 561 F HA 0.677 5.204 4.527 0.000 0.000 0.323 561 F C -1.133 174.648 175.800 -0.033 0.000 1.178 561 F CA -0.970 57.008 58.000 -0.037 0.000 0.892 561 F CB 1.565 40.539 39.000 -0.043 0.000 1.416 561 F HN 0.798 nan 8.300 nan 0.000 0.488 562 Q N 1.384 121.093 119.800 -0.152 0.000 2.274 562 Q HA 0.399 4.739 4.340 0.000 0.000 0.260 562 Q C -1.022 174.864 176.000 -0.189 0.000 0.974 562 Q CA -0.700 54.990 55.803 -0.188 0.000 0.876 562 Q CB 2.013 30.726 28.738 -0.041 0.000 1.297 562 Q HN 0.651 nan 8.270 nan 0.000 0.446 563 E N 1.525 121.603 120.200 -0.202 0.000 2.390 563 E HA 0.202 4.552 4.350 0.000 0.000 0.261 563 E C -0.926 175.644 176.600 -0.049 0.000 1.076 563 E CA -0.425 55.893 56.400 -0.135 0.000 0.905 563 E CB 0.957 30.579 29.700 -0.130 0.000 0.984 563 E HN 0.445 nan 8.360 nan 0.000 0.427 564 V N 2.084 121.987 119.914 -0.019 0.000 2.775 564 V HA 0.362 4.482 4.120 0.000 0.000 0.299 564 V C -1.993 174.092 176.094 -0.016 0.000 1.062 564 V CA -1.913 60.382 62.300 -0.008 0.000 1.063 564 V CB 0.226 32.048 31.823 -0.002 0.000 0.994 564 V HN 0.737 nan 8.190 nan 0.000 0.483 565 P HA -0.131 nan 4.420 nan 0.000 0.259 565 P C 0.967 178.261 177.300 -0.011 0.000 1.120 565 P CA 0.587 63.681 63.100 -0.010 0.000 0.759 565 P CB 0.201 31.899 31.700 -0.003 0.000 0.704 566 K N 3.284 123.676 120.400 -0.013 0.000 2.031 566 K HA -0.276 4.044 4.320 0.000 0.000 0.228 566 K C 2.013 178.609 176.600 -0.006 0.000 1.050 566 K CA 2.469 58.749 56.287 -0.011 0.000 0.980 566 K CB -1.474 31.020 32.500 -0.010 0.000 0.738 566 K HN 0.690 nan 8.250 nan 0.000 0.451 567 G N 2.176 110.974 108.800 -0.002 0.000 2.764 567 G HA2 -0.352 3.608 3.960 0.000 0.000 0.219 567 G HA3 -0.352 3.608 3.960 0.000 0.000 0.219 567 G C 0.678 175.579 174.900 0.001 0.000 1.259 567 G CA 1.593 46.694 45.100 0.002 0.000 0.793 567 G HN 0.708 nan 8.290 nan 0.000 0.633 568 Q N 0.439 120.239 119.800 0.000 0.000 2.380 568 Q HA 0.116 4.456 4.340 0.000 0.000 0.338 568 Q C 0.268 176.264 176.000 -0.006 0.000 1.193 568 Q CA 0.567 56.368 55.803 -0.003 0.000 1.023 568 Q CB 0.192 28.924 28.738 -0.010 0.000 1.252 568 Q HN 0.299 nan 8.270 nan 0.000 0.422 569 S N 0.887 116.582 115.700 -0.009 0.000 2.580 569 S HA 0.020 4.490 4.470 0.000 0.000 0.274 569 S C 0.852 175.445 174.600 -0.012 0.000 1.329 569 S CA -0.536 57.659 58.200 -0.008 0.000 1.036 569 S CB 0.854 64.049 63.200 -0.008 0.000 0.919 569 S HN 0.763 nan 8.310 nan 0.000 0.515 570 E N 2.199 122.395 120.200 -0.008 0.000 2.187 570 E HA -0.195 4.155 4.350 0.000 0.000 0.199 570 E C 1.382 177.974 176.600 -0.013 0.000 1.004 570 E CA 1.770 58.166 56.400 -0.007 0.000 0.813 570 E CB -0.070 29.628 29.700 -0.003 0.000 0.736 570 E HN 0.932 nan 8.360 nan 0.000 0.468 571 E N 0.597 120.785 120.200 -0.020 0.000 2.583 571 E HA 0.043 4.393 4.350 0.000 0.000 0.213 571 E C -0.104 176.469 176.600 -0.045 0.000 0.989 571 E CA -0.261 56.121 56.400 -0.031 0.000 0.991 571 E CB 0.164 29.845 29.700 -0.033 0.000 1.040 571 E HN -0.127 nan 8.360 nan 0.000 0.481 572 D N 1.167 121.541 120.400 -0.044 0.000 2.317 572 D HA 0.055 4.695 4.640 0.000 0.000 0.252 572 D C 0.490 176.750 176.300 -0.066 0.000 1.174 572 D CA -0.253 53.708 54.000 -0.065 0.000 0.866 572 D CB 1.192 41.954 40.800 -0.064 0.000 1.127 572 D HN 0.016 nan 8.370 nan 0.000 0.467 573 M N 2.968 122.518 119.600 -0.082 0.000 2.313 573 M HA 0.105 4.585 4.480 0.000 0.000 0.273 573 M C -0.123 176.129 176.300 -0.080 0.000 1.049 573 M CA -0.208 55.053 55.300 -0.065 0.000 1.004 573 M CB 0.627 33.193 32.600 -0.057 0.000 1.461 573 M HN 0.186 nan 8.290 nan 0.000 0.514 574 V N 1.440 121.276 119.914 -0.130 0.000 2.485 574 V HA 0.310 4.430 4.120 0.000 0.000 0.287 574 V C 1.438 177.469 176.094 -0.106 0.000 1.022 574 V CA 1.257 63.459 62.300 -0.162 0.000 1.067 574 V CB 0.132 31.763 31.823 -0.321 0.000 0.967 574 V HN 0.855 nan 8.190 nan 0.000 0.479 575 G N 4.691 113.451 108.800 -0.067 0.000 2.234 575 G HA2 -0.196 3.764 3.960 0.000 0.000 0.235 575 G HA3 -0.196 3.764 3.960 0.000 0.000 0.235 575 G C 0.308 175.220 174.900 0.020 0.000 0.997 575 G CA -0.106 44.982 45.100 -0.020 0.000 0.623 575 G HN 0.611 nan 8.290 nan 0.000 0.514 576 R N 1.084 121.588 120.500 0.006 0.000 2.486 576 R HA 0.466 4.806 4.340 0.000 0.000 0.286 576 R C -2.486 173.822 176.300 0.014 0.000 0.999 576 R CA -1.574 54.550 56.100 0.039 0.000 0.993 576 R CB 1.509 31.827 30.300 0.029 0.000 1.084 576 R HN 0.144 nan 8.270 nan 0.000 0.487 577 P HA 0.065 nan 4.420 nan 0.000 0.220 577 P C -0.680 176.649 177.300 0.048 0.000 1.806 577 P CA -0.307 62.766 63.100 -0.045 0.000 0.976 577 P CB -0.065 31.586 31.700 -0.082 0.000 1.952 578 L N 2.686 123.937 121.223 0.048 0.000 2.290 578 L HA 0.555 4.895 4.340 0.000 0.000 0.284 578 L C -2.532 174.421 176.870 0.139 0.000 1.078 578 L CA -2.327 52.566 54.840 0.089 0.000 0.815 578 L CB 0.217 42.299 42.059 0.037 0.000 1.162 578 L HN -0.046 nan 8.230 nan 0.000 0.435 579 P HA -0.085 nan 4.420 nan 0.000 0.264 579 P C -0.360 177.033 177.300 0.154 0.000 1.193 579 P CA 0.059 63.297 63.100 0.230 0.000 0.763 579 P CB 0.227 31.957 31.700 0.050 0.000 0.810 580 H N 4.354 123.466 119.070 0.070 0.000 3.127 580 H HA -0.141 4.415 4.556 0.000 0.000 0.237 580 H C 1.393 176.724 175.328 0.005 0.000 0.761 580 H CA 0.458 56.523 56.048 0.028 0.000 1.454 580 H CB 0.035 29.814 29.762 0.028 0.000 1.382 580 H HN 0.427 nan 8.280 nan 0.000 0.479 581 L N 3.194 124.445 121.223 0.046 0.000 2.466 581 L HA -0.320 4.020 4.340 0.000 0.000 0.219 581 L C 1.613 178.562 176.870 0.132 0.000 1.105 581 L CA 2.106 56.974 54.840 0.047 0.000 0.791 581 L CB -0.567 41.437 42.059 -0.090 0.000 0.890 581 L HN 0.718 nan 8.230 nan 0.000 0.443 582 A N -2.568 120.441 122.820 0.315 0.000 2.569 582 A HA 0.567 4.887 4.320 0.000 0.000 0.284 582 A C 1.673 179.275 177.584 0.030 0.000 0.948 582 A CA 0.452 52.569 52.037 0.133 0.000 1.007 582 A CB 0.124 19.194 19.000 0.117 0.000 1.232 582 A HN 0.176 nan 8.150 nan 0.000 0.530 583 A N 0.370 123.200 122.820 0.016 0.000 1.972 583 A HA -0.091 4.229 4.320 0.000 0.000 0.219 583 A C 1.613 179.180 177.584 -0.027 0.000 1.169 583 A CA 2.011 54.010 52.037 -0.063 0.000 0.635 583 A CB -0.324 18.640 19.000 -0.059 0.000 0.810 583 A HN 0.408 nan 8.150 nan 0.000 0.446 584 D N -0.135 120.265 120.400 -0.000 0.000 2.078 584 D HA -0.164 4.476 4.640 0.000 0.000 0.193 584 D C 1.971 178.278 176.300 0.012 0.000 0.990 584 D CA 1.603 55.607 54.000 0.006 0.000 0.827 584 D CB -0.441 40.368 40.800 0.015 0.000 0.975 584 D HN 0.446 nan 8.370 nan 0.000 0.451 585 M N 0.227 119.837 119.600 0.017 0.000 2.267 585 M HA -0.204 4.276 4.480 0.000 0.000 0.263 585 M C 2.096 178.411 176.300 0.026 0.000 1.063 585 M CA 1.371 56.683 55.300 0.020 0.000 1.090 585 M CB -0.183 32.430 32.600 0.020 0.000 1.392 585 M HN 0.069 nan 8.290 nan 0.000 0.422 586 Q N -0.294 119.517 119.800 0.018 0.000 2.083 586 Q HA -0.037 4.303 4.340 0.000 0.000 0.198 586 Q C 2.220 178.248 176.000 0.047 0.000 0.969 586 Q CA 1.404 57.239 55.803 0.055 0.000 0.838 586 Q CB -0.195 28.559 28.738 0.027 0.000 0.900 586 Q HN 0.591 nan 8.270 nan 0.000 0.436 587 A N 0.977 123.810 122.820 0.021 0.000 2.121 587 A HA -0.103 4.217 4.320 0.000 0.000 0.218 587 A C 2.019 179.616 177.584 0.022 0.000 1.154 587 A CA 1.429 53.481 52.037 0.025 0.000 0.679 587 A CB -0.233 18.781 19.000 0.023 0.000 0.795 587 A HN 0.366 nan 8.150 nan 0.000 0.458 588 S N -2.666 113.045 115.700 0.020 0.000 2.540 588 S HA 0.414 4.884 4.470 0.000 0.000 0.218 588 S C 1.444 176.045 174.600 0.001 0.000 0.977 588 S CA 1.004 59.209 58.200 0.009 0.000 0.918 588 S CB -0.049 63.159 63.200 0.013 0.000 0.806 588 S HN 1.763 nan 8.310 nan 0.000 0.496 589 G N 2.366 111.173 108.800 0.012 0.000 2.347 589 G HA2 -0.370 3.590 3.960 0.000 0.000 0.247 589 G HA3 -0.370 3.590 3.960 0.000 0.000 0.247 589 G C 0.839 175.759 174.900 0.034 0.000 1.037 589 G CA 0.477 45.585 45.100 0.013 0.000 0.622 589 G HN 0.634 nan 8.290 nan 0.000 0.521 590 E N 0.911 121.128 120.200 0.029 0.000 2.216 590 E HA 0.372 4.722 4.350 0.000 0.000 0.192 590 E C 1.620 178.241 176.600 0.034 0.000 0.988 590 E CA 0.529 56.944 56.400 0.025 0.000 0.834 590 E CB -0.018 29.690 29.700 0.013 0.000 0.772 590 E HN 1.014 nan 8.360 nan 0.000 0.479 591 A N 2.211 125.057 122.820 0.043 0.000 2.520 591 A HA 0.228 4.548 4.320 0.000 0.000 0.245 591 A C 0.286 177.909 177.584 0.065 0.000 1.072 591 A CA -0.285 51.755 52.037 0.005 0.000 0.761 591 A CB 0.273 19.251 19.000 -0.038 0.000 1.004 591 A HN 0.049 nan 8.150 nan 0.000 0.499 592 V N 4.230 124.149 119.914 0.008 0.000 2.385 592 V HA 0.247 4.367 4.120 0.000 0.000 0.269 592 V C 0.082 176.196 176.094 0.034 0.000 1.043 592 V CA -0.144 62.192 62.300 0.060 0.000 0.906 592 V CB -0.633 31.185 31.823 -0.009 0.000 0.995 592 V HN 0.894 nan 8.190 nan 0.000 0.467 593 Y N 2.230 122.566 120.300 0.060 0.000 3.164 593 Y HA 0.211 4.761 4.550 0.000 0.000 0.439 593 Y C 1.992 177.899 175.900 0.011 0.000 1.182 593 Y CA 0.791 58.921 58.100 0.050 0.000 1.570 593 Y CB -0.133 38.392 38.460 0.109 0.000 1.411 593 Y HN 0.655 nan 8.280 nan 0.000 0.841 594 C N 0.035 119.458 119.300 0.205 0.000 2.810 594 C HA 0.010 4.470 4.460 0.000 0.000 0.283 594 C C 2.106 177.117 174.990 0.034 0.000 1.408 594 C CA 1.087 60.154 59.018 0.082 0.000 1.727 594 C CB -0.982 26.791 27.740 0.054 0.000 2.089 594 C HN 0.912 nan 8.230 nan 0.000 0.608 595 D N 0.271 120.695 120.400 0.041 0.000 2.408 595 D HA -0.099 4.541 4.640 0.000 0.000 0.248 595 D C 0.996 177.307 176.300 0.017 0.000 1.122 595 D CA 0.834 54.847 54.000 0.022 0.000 0.964 595 D CB -0.328 40.494 40.800 0.036 0.000 0.884 595 D HN 0.459 nan 8.370 nan 0.000 0.524 596 D N -0.597 119.821 120.400 0.030 0.000 2.355 596 D HA 0.070 4.710 4.640 0.000 0.000 0.206 596 D C 0.384 176.670 176.300 -0.024 0.000 1.010 596 D CA -0.115 53.908 54.000 0.038 0.000 0.875 596 D CB 0.335 41.203 40.800 0.113 0.000 0.966 596 D HN 0.230 nan 8.370 nan 0.000 0.512 597 I N 3.245 123.774 120.570 -0.069 0.000 2.556 597 I HA 0.094 4.264 4.170 0.000 0.000 0.284 597 I C -1.830 174.191 176.117 -0.160 0.000 1.114 597 I CA -1.802 59.402 61.300 -0.160 0.000 1.418 597 I CB 0.478 38.324 38.000 -0.258 0.000 1.394 597 I HN -0.173 nan 8.210 nan 0.000 0.552 598 P HA 0.103 nan 4.420 nan 0.000 0.270 598 P C 0.036 177.219 177.300 -0.195 0.000 1.227 598 P CA -0.381 62.614 63.100 -0.174 0.000 0.788 598 P CB 0.442 32.029 31.700 -0.189 0.000 0.926 599 R N 0.602 121.022 120.500 -0.133 0.000 2.726 599 R HA 0.263 4.603 4.340 0.000 0.000 0.272 599 R C 0.232 176.453 176.300 -0.132 0.000 1.097 599 R CA 0.034 56.085 56.100 -0.082 0.000 1.198 599 R CB -0.304 29.982 30.300 -0.023 0.000 1.114 599 R HN 0.505 nan 8.270 nan 0.000 0.550 600 Y N -0.167 120.114 120.300 -0.030 0.000 2.545 600 Y HA 0.046 4.596 4.550 0.000 0.000 0.324 600 Y C 1.769 177.657 175.900 -0.020 0.000 1.220 600 Y CA -0.259 57.827 58.100 -0.023 0.000 1.290 600 Y CB 0.770 39.224 38.460 -0.010 0.000 1.355 600 Y HN 0.644 nan 8.280 nan 0.000 0.516 601 E N 0.100 120.443 120.200 0.238 0.000 2.511 601 E HA -0.111 4.239 4.350 0.000 0.000 0.196 601 E C -0.453 176.195 176.600 0.080 0.000 1.066 601 E CA 0.677 57.142 56.400 0.109 0.000 0.871 601 E CB -0.284 29.458 29.700 0.070 0.000 0.863 601 E HN 0.643 nan 8.360 nan 0.000 0.520 602 N N 0.980 119.730 118.700 0.084 0.000 2.599 602 N HA 0.099 4.839 4.740 0.000 0.000 0.309 602 N C -1.270 174.262 175.510 0.036 0.000 1.743 602 N CA -0.426 52.644 53.050 0.034 0.000 0.918 602 N CB 0.427 38.911 38.487 -0.004 0.000 1.339 602 N HN 0.156 nan 8.380 nan 0.000 0.493 603 E N 1.196 121.435 120.200 0.065 0.000 2.174 603 E HA 0.343 4.693 4.350 0.000 0.000 0.282 603 E C -0.461 176.164 176.600 0.042 0.000 0.992 603 E CA -0.634 55.809 56.400 0.070 0.000 0.803 603 E CB 0.968 30.742 29.700 0.124 0.000 1.090 603 E HN 0.284 nan 8.360 nan 0.000 0.396 604 L N 2.008 123.247 121.223 0.026 0.000 2.454 604 L HA 0.382 4.722 4.340 0.000 0.000 0.256 604 L C 0.318 177.202 176.870 0.023 0.000 1.136 604 L CA -0.790 54.060 54.840 0.017 0.000 0.804 604 L CB 1.248 43.304 42.059 -0.004 0.000 1.181 604 L HN 0.437 nan 8.230 nan 0.000 0.469 605 S N 0.739 116.451 115.700 0.019 0.000 2.617 605 S HA 0.631 5.101 4.470 0.000 0.000 0.283 605 S C -0.332 174.278 174.600 0.017 0.000 1.189 605 S CA -0.624 57.590 58.200 0.023 0.000 1.036 605 S CB 1.932 65.147 63.200 0.026 0.000 1.014 605 S HN 0.453 nan 8.310 nan 0.000 0.522 606 L N 1.843 123.081 121.223 0.024 0.000 2.293 606 L HA 0.853 5.193 4.340 0.000 0.000 0.264 606 L C -0.809 176.082 176.870 0.035 0.000 1.029 606 L CA -0.893 53.962 54.840 0.024 0.000 0.897 606 L CB 1.532 43.610 42.059 0.030 0.000 1.497 606 L HN 0.807 nan 8.230 nan 0.000 0.495 607 R N 1.359 121.885 120.500 0.043 0.000 7.215 607 R HA 0.270 4.610 4.340 0.000 0.000 0.247 607 R C -2.453 173.885 176.300 0.064 0.000 0.862 607 R CA -0.455 55.675 56.100 0.050 0.000 1.807 607 R CB -0.140 30.190 30.300 0.050 0.000 1.149 607 R HN 0.746 nan 8.270 nan 0.000 0.880 608 L N 1.400 122.665 121.223 0.069 0.000 2.370 608 L HA 0.897 5.237 4.340 0.000 0.000 0.266 608 L C -1.023 175.902 176.870 0.093 0.000 1.002 608 L CA -1.142 53.752 54.840 0.089 0.000 0.818 608 L CB 2.359 44.486 42.059 0.115 0.000 1.325 608 L HN 0.237 nan 8.230 nan 0.000 0.418 609 V N 1.341 121.318 119.914 0.106 0.000 2.398 609 V HA 0.673 4.793 4.120 0.000 0.000 0.286 609 V C 0.184 176.342 176.094 0.106 0.000 1.026 609 V CA -0.025 62.343 62.300 0.113 0.000 0.868 609 V CB 1.440 33.360 31.823 0.163 0.000 0.982 609 V HN 0.999 nan 8.190 nan 0.000 0.443 610 T N 0.238 114.852 114.554 0.100 0.000 3.032 610 T HA 0.416 4.766 4.350 0.000 0.000 0.312 610 T C -0.212 174.557 174.700 0.116 0.000 1.078 610 T CA -0.540 61.623 62.100 0.105 0.000 1.028 610 T CB 1.506 70.433 68.868 0.098 0.000 1.091 610 T HN 0.722 nan 8.240 nan 0.000 0.457 611 S N 2.038 117.817 115.700 0.132 0.000 2.702 611 S HA 0.066 4.536 4.470 0.000 0.000 0.314 611 S C 1.391 176.034 174.600 0.073 0.000 1.244 611 S CA 0.614 58.905 58.200 0.151 0.000 1.058 611 S CB 0.021 63.308 63.200 0.146 0.000 0.783 611 S HN 1.238 nan 8.310 nan 0.000 0.503 612 T N 3.887 118.464 114.554 0.038 0.000 3.069 612 T HA 0.324 4.674 4.350 0.000 0.000 0.252 612 T C 0.343 174.949 174.700 -0.156 0.000 1.053 612 T CA -0.475 61.619 62.100 -0.011 0.000 0.964 612 T CB 0.049 68.962 68.868 0.074 0.000 1.005 612 T HN 0.535 nan 8.240 nan 0.000 0.532 613 R N 0.083 120.395 120.500 -0.313 0.000 2.832 613 R HA 0.811 5.151 4.340 0.000 0.000 0.271 613 R C 0.981 177.200 176.300 -0.135 0.000 0.996 613 R CA -0.404 55.521 56.100 -0.292 0.000 0.977 613 R CB 0.841 30.835 30.300 -0.510 0.000 1.168 613 R HN 0.084 nan 8.270 nan 0.000 0.482 614 A N 0.135 122.911 122.820 -0.072 0.000 2.021 614 A HA -0.021 4.299 4.320 0.000 0.000 0.216 614 A C 0.167 177.779 177.584 0.047 0.000 1.163 614 A CA 1.168 53.200 52.037 -0.009 0.000 0.676 614 A CB -0.164 18.836 19.000 -0.001 0.000 0.818 614 A HN 0.719 nan 8.150 nan 0.000 0.453 615 H N -2.024 117.024 119.070 -0.037 0.000 3.083 615 H HA 0.580 5.136 4.556 0.000 0.000 0.339 615 H C -0.919 174.405 175.328 -0.008 0.000 1.020 615 H CA 0.017 56.061 56.048 -0.006 0.000 1.360 615 H CB 1.331 31.089 29.762 -0.007 0.000 1.811 615 H HN 0.431 nan 8.280 nan 0.000 0.493 616 A N 4.262 127.203 122.820 0.202 0.000 2.597 616 A HA 0.366 4.686 4.320 0.000 0.000 0.292 616 A C -1.359 176.343 177.584 0.196 0.000 1.057 616 A CA -0.986 51.171 52.037 0.200 0.000 0.674 616 A CB 1.542 20.617 19.000 0.124 0.000 1.278 616 A HN 0.614 nan 8.150 nan 0.000 0.416 617 K N 0.011 120.519 120.400 0.179 0.000 2.132 617 K HA 0.539 4.859 4.320 0.000 0.000 0.240 617 K C -0.519 176.180 176.600 0.165 0.000 1.036 617 K CA -0.166 56.207 56.287 0.143 0.000 0.888 617 K CB 0.507 33.069 32.500 0.103 0.000 1.071 617 K HN 0.792 nan 8.250 nan 0.000 0.502 618 I N 1.843 122.474 120.570 0.103 0.000 2.542 618 I HA 0.172 4.343 4.170 0.000 0.000 0.278 618 I C 0.254 176.366 176.117 -0.007 0.000 1.069 618 I CA -0.512 60.821 61.300 0.055 0.000 1.100 618 I CB 1.251 39.283 38.000 0.054 0.000 1.204 618 I HN 0.612 nan 8.210 nan 0.000 0.470 619 K N 3.622 124.004 120.400 -0.030 0.000 2.116 619 K HA 0.090 4.410 4.320 0.000 0.000 0.203 619 K C 0.397 176.969 176.600 -0.046 0.000 1.052 619 K CA 1.162 57.434 56.287 -0.024 0.000 0.952 619 K CB 0.181 32.674 32.500 -0.012 0.000 0.729 619 K HN 0.864 nan 8.250 nan 0.000 0.446 620 S N -1.187 114.461 115.700 -0.087 0.000 2.645 620 S HA 0.361 4.831 4.470 0.000 0.000 0.268 620 S C -0.909 173.617 174.600 -0.123 0.000 1.110 620 S CA -1.035 57.115 58.200 -0.084 0.000 0.823 620 S CB 0.946 64.107 63.200 -0.064 0.000 1.091 620 S HN 0.012 nan 8.310 nan 0.000 0.466 621 I N 1.653 122.155 120.570 -0.113 0.000 2.339 621 I HA 0.431 4.601 4.170 0.000 0.000 0.290 621 I C -1.042 174.967 176.117 -0.180 0.000 0.994 621 I CA -0.185 61.022 61.300 -0.154 0.000 1.191 621 I CB 1.514 39.438 38.000 -0.127 0.000 1.343 621 I HN 0.689 nan 8.210 nan 0.000 0.458 622 D N 4.354 124.636 120.400 -0.195 0.000 2.440 622 D HA 0.191 4.831 4.640 0.000 0.000 0.239 622 D C 0.471 176.636 176.300 -0.225 0.000 1.084 622 D CA -0.192 53.698 54.000 -0.183 0.000 0.843 622 D CB 1.771 42.490 40.800 -0.134 0.000 1.097 622 D HN 0.384 nan 8.370 nan 0.000 0.531 623 T N 1.100 115.504 114.554 -0.251 0.000 3.129 623 T HA -0.038 4.312 4.350 0.000 0.000 0.251 623 T C 1.790 176.342 174.700 -0.247 0.000 1.117 623 T CA 1.015 62.935 62.100 -0.299 0.000 1.034 623 T CB 0.135 68.828 68.868 -0.291 0.000 0.968 623 T HN 0.472 nan 8.240 nan 0.000 0.526 624 S N 0.698 116.283 115.700 -0.191 0.000 2.387 624 S HA -0.052 4.418 4.470 0.000 0.000 0.226 624 S C 1.834 176.326 174.600 -0.179 0.000 1.026 624 S CA 0.828 58.926 58.200 -0.170 0.000 0.972 624 S CB -0.252 62.875 63.200 -0.122 0.000 0.814 624 S HN 0.279 nan 8.310 nan 0.000 0.477 625 E N 1.629 121.733 120.200 -0.160 0.000 2.347 625 E HA 0.268 4.618 4.350 0.000 0.000 0.196 625 E C 1.816 178.314 176.600 -0.169 0.000 1.008 625 E CA 0.863 57.182 56.400 -0.135 0.000 0.852 625 E CB -0.463 29.179 29.700 -0.097 0.000 0.783 625 E HN 0.663 nan 8.360 nan 0.000 0.505 626 A N 0.544 123.218 122.820 -0.244 0.000 1.911 626 A HA -0.045 4.275 4.320 0.000 0.000 0.212 626 A C 1.693 178.902 177.584 -0.625 0.000 1.189 626 A CA 0.775 52.624 52.037 -0.313 0.000 0.639 626 A CB -0.177 18.693 19.000 -0.217 0.000 0.839 626 A HN 0.167 nan 8.150 nan 0.000 0.449 627 K N 0.509 120.397 120.400 -0.854 0.000 2.589 627 K HA -0.108 4.212 4.320 0.000 0.000 0.195 627 K C 1.352 177.743 176.600 -0.349 0.000 1.042 627 K CA 1.049 56.862 56.287 -0.790 0.000 0.940 627 K CB -0.082 32.126 32.500 -0.485 0.000 0.776 627 K HN 0.365 nan 8.250 nan 0.000 0.487 628 K N 0.728 120.974 120.400 -0.257 0.000 2.314 628 K HA 0.060 4.380 4.320 0.000 0.000 0.198 628 K C 0.318 176.850 176.600 -0.114 0.000 1.045 628 K CA 0.138 56.338 56.287 -0.144 0.000 0.988 628 K CB 0.411 32.845 32.500 -0.110 0.000 0.783 628 K HN -0.069 nan 8.250 nan 0.000 0.484 629 V N 3.643 123.486 119.914 -0.120 0.000 2.655 629 V HA 0.032 4.152 4.120 0.000 0.000 0.300 629 V C -2.209 173.820 176.094 -0.108 0.000 1.044 629 V CA -1.283 60.961 62.300 -0.093 0.000 1.095 629 V CB 0.620 32.416 31.823 -0.046 0.000 0.952 629 V HN 0.089 nan 8.190 nan 0.000 0.485 630 P HA 0.168 nan 4.420 nan 0.000 0.262 630 P C 0.883 178.005 177.300 -0.295 0.000 1.182 630 P CA 1.525 64.490 63.100 -0.225 0.000 0.761 630 P CB 0.498 32.014 31.700 -0.307 0.000 0.795 631 G N 2.792 111.545 108.800 -0.078 0.000 2.184 631 G HA2 -0.312 3.648 3.960 0.000 0.000 0.264 631 G HA3 -0.312 3.648 3.960 0.000 0.000 0.264 631 G C 0.193 175.134 174.900 0.069 0.000 0.975 631 G CA -0.345 44.765 45.100 0.016 0.000 0.642 631 G HN 0.563 nan 8.290 nan 0.000 0.536 632 F N 0.803 120.721 119.950 -0.053 0.000 2.578 632 F HA 0.411 4.938 4.527 0.000 0.000 0.376 632 F C 1.312 177.115 175.800 0.005 0.000 1.085 632 F CA 0.710 58.701 58.000 -0.015 0.000 1.260 632 F CB 1.022 40.007 39.000 -0.026 0.000 1.095 632 F HN -0.094 nan 8.300 nan 0.000 0.573 633 V N 5.238 124.835 119.914 -0.529 0.000 2.788 633 V HA 0.079 4.199 4.120 0.000 0.000 0.241 633 V C 0.198 176.044 176.094 -0.413 0.000 1.083 633 V CA 1.205 63.304 62.300 -0.335 0.000 1.103 633 V CB 0.503 32.219 31.823 -0.177 0.000 0.800 633 V HN 1.053 nan 8.190 nan 0.000 0.476 634 C N -1.890 116.907 119.300 -0.838 0.000 3.099 634 C HA 0.450 4.910 4.460 0.000 0.000 0.357 634 C C -1.278 173.627 174.990 -0.141 0.000 1.171 634 C CA -1.594 57.271 59.018 -0.255 0.000 1.129 634 C CB 0.064 27.756 27.740 -0.080 0.000 1.420 634 C HN 0.352 nan 8.230 nan 0.000 0.510 635 F N 3.104 123.070 119.950 0.026 0.000 2.388 635 F HA 0.762 5.289 4.527 0.000 0.000 0.358 635 F C -0.215 175.555 175.800 -0.051 0.000 1.122 635 F CA -0.899 57.108 58.000 0.012 0.000 1.056 635 F CB 0.522 39.596 39.000 0.124 0.000 1.155 635 F HN 0.720 nan 8.300 nan 0.000 0.461 636 I N 6.072 126.291 120.570 -0.585 0.000 2.471 636 I HA 0.276 4.446 4.170 0.000 0.000 0.286 636 I C 0.052 175.517 176.117 -1.086 0.000 1.079 636 I CA 0.633 61.582 61.300 -0.586 0.000 1.398 636 I CB 0.617 38.470 38.000 -0.246 0.000 1.403 636 I HN 0.738 nan 8.210 nan 0.000 0.530 637 S N 5.105 120.378 115.700 -0.712 0.000 2.794 637 S HA 0.729 5.199 4.470 0.000 0.000 0.299 637 S C 0.914 175.327 174.600 -0.312 0.000 1.179 637 S CA -0.198 57.554 58.200 -0.747 0.000 0.838 637 S CB 1.003 63.956 63.200 -0.412 0.000 1.206 637 S HN 0.625 nan 8.310 nan 0.000 0.523 638 A N 0.411 123.138 122.820 -0.155 0.000 2.084 638 A HA -0.074 4.247 4.320 0.000 0.000 0.221 638 A C 1.336 178.972 177.584 0.086 0.000 1.161 638 A CA 1.895 54.010 52.037 0.130 0.000 0.653 638 A CB -1.084 17.993 19.000 0.128 0.000 0.802 638 A HN 0.786 nan 8.150 nan 0.000 0.457 639 D N -0.469 119.951 120.400 0.033 0.000 2.336 639 D HA 0.002 4.642 4.640 0.000 0.000 0.229 639 D C 0.418 176.747 176.300 0.049 0.000 1.061 639 D CA 0.429 54.453 54.000 0.039 0.000 0.875 639 D CB 0.101 40.920 40.800 0.032 0.000 0.904 639 D HN 0.419 nan 8.370 nan 0.000 0.525 640 D N -0.343 120.095 120.400 0.063 0.000 2.454 640 D HA -0.012 4.628 4.640 0.000 0.000 0.214 640 D C 0.747 177.117 176.300 0.117 0.000 1.088 640 D CA -0.005 54.046 54.000 0.084 0.000 0.855 640 D CB 1.524 42.361 40.800 0.062 0.000 1.025 640 D HN 0.005 nan 8.370 nan 0.000 0.502 641 V N 3.100 123.073 119.914 0.098 0.000 2.599 641 V HA 0.110 4.230 4.120 0.000 0.000 0.300 641 V C -2.030 174.065 176.094 0.001 0.000 1.034 641 V CA -0.694 61.631 62.300 0.041 0.000 1.115 641 V CB 1.485 33.324 31.823 0.027 0.000 0.934 641 V HN -0.082 nan 8.190 nan 0.000 0.485 642 P HA 0.365 nan 4.420 nan 0.000 0.272 642 P C 0.575 177.821 177.300 -0.090 0.000 1.408 642 P CA 0.504 63.564 63.100 -0.066 0.000 0.996 642 P CB 0.862 32.487 31.700 -0.124 0.000 1.481 643 G N -0.376 108.367 108.800 -0.096 0.000 2.472 643 G HA2 0.357 4.317 3.960 0.000 0.000 0.199 643 G HA3 0.357 4.317 3.960 0.000 0.000 0.199 643 G C -0.473 174.389 174.900 -0.064 0.000 1.547 643 G CA 0.237 45.281 45.100 -0.094 0.000 0.701 643 G HN 0.325 nan 8.290 nan 0.000 0.623 644 S N -0.435 115.228 115.700 -0.062 0.000 2.546 644 S HA 0.174 4.645 4.470 0.000 0.000 0.303 644 S C -0.600 173.965 174.600 -0.058 0.000 1.067 644 S CA -0.230 57.938 58.200 -0.053 0.000 0.944 644 S CB 0.996 64.159 63.200 -0.061 0.000 1.155 644 S HN 0.282 nan 8.310 nan 0.000 0.449 645 N N 3.842 122.520 118.700 -0.037 0.000 2.449 645 N HA 0.178 4.918 4.740 0.000 0.000 0.191 645 N C 0.152 175.634 175.510 -0.047 0.000 1.161 645 N CA 0.242 53.272 53.050 -0.033 0.000 0.863 645 N CB -0.006 38.486 38.487 0.008 0.000 0.980 645 N HN 0.757 nan 8.380 nan 0.000 0.458 646 I N -0.030 120.501 120.570 -0.064 0.000 2.390 646 I HA 0.301 4.471 4.170 0.000 0.000 0.283 646 I C -0.232 175.806 176.117 -0.132 0.000 1.016 646 I CA -0.218 61.038 61.300 -0.072 0.000 1.151 646 I CB 1.058 39.028 38.000 -0.050 0.000 1.293 646 I HN -0.110 nan 8.210 nan 0.000 0.458 647 T N 3.973 118.427 114.554 -0.165 0.000 2.541 647 T HA 0.757 5.107 4.350 0.000 0.000 0.222 647 T C 0.151 174.661 174.700 -0.316 0.000 0.819 647 T CA 0.295 62.202 62.100 -0.321 0.000 1.203 647 T CB 0.621 69.336 68.868 -0.255 0.000 1.640 647 T HN 1.004 nan 8.240 nan 0.000 0.507 648 G N 0.562 109.177 108.800 -0.309 0.000 2.740 648 G HA2 -0.198 3.762 3.960 0.000 0.000 0.250 648 G HA3 -0.198 3.762 3.960 0.000 0.000 0.250 648 G C 0.463 175.212 174.900 -0.252 0.000 1.358 648 G CA 0.364 45.390 45.100 -0.123 0.000 0.897 648 G HN 1.129 nan 8.290 nan 0.000 0.567 649 I N -2.008 118.567 120.570 0.008 0.000 4.288 649 I HA 0.306 4.476 4.170 0.000 0.000 0.331 649 I C 1.287 177.445 176.117 0.068 0.000 1.322 649 I CA 0.621 61.991 61.300 0.116 0.000 1.149 649 I CB 0.390 38.552 38.000 0.271 0.000 1.112 649 I HN 0.671 nan 8.210 nan 0.000 0.403 650 C N 1.769 121.093 119.300 0.039 0.000 2.534 650 C HA 0.449 4.909 4.460 0.000 0.000 0.285 650 C C 0.943 175.937 174.990 0.006 0.000 1.505 650 C CA -0.801 58.236 59.018 0.033 0.000 1.715 650 C CB -2.171 25.604 27.740 0.058 0.000 2.935 650 C HN 0.571 nan 8.230 nan 0.000 0.540 651 N N 1.995 120.667 118.700 -0.047 0.000 2.628 651 N HA -0.217 4.523 4.740 0.000 0.000 0.247 651 N C 0.648 176.144 175.510 -0.024 0.000 1.157 651 N CA 1.332 54.342 53.050 -0.066 0.000 0.729 651 N CB -0.317 38.131 38.487 -0.065 0.000 1.083 651 N HN 0.724 nan 8.380 nan 0.000 0.554 652 D N 0.697 121.106 120.400 0.015 0.000 2.123 652 D HA -0.144 4.496 4.640 0.000 0.000 0.196 652 D C 1.158 177.468 176.300 0.017 0.000 0.992 652 D CA 1.446 55.472 54.000 0.044 0.000 0.833 652 D CB 0.172 41.032 40.800 0.100 0.000 0.954 652 D HN 0.704 nan 8.370 nan 0.000 0.455 653 E N 0.817 121.015 120.200 -0.003 0.000 2.259 653 E HA 0.403 4.753 4.350 0.000 0.000 0.257 653 E C -0.852 175.747 176.600 -0.002 0.000 0.998 653 E CA -0.831 55.569 56.400 -0.001 0.000 0.866 653 E CB 1.204 30.901 29.700 -0.005 0.000 1.220 653 E HN -0.203 nan 8.360 nan 0.000 0.415 654 T N -0.104 114.478 114.554 0.047 0.000 2.771 654 T HA 0.227 4.577 4.350 0.000 0.000 0.281 654 T C 1.224 175.938 174.700 0.022 0.000 0.982 654 T CA -0.828 61.305 62.100 0.055 0.000 0.978 654 T CB 1.490 70.446 68.868 0.147 0.000 0.930 654 T HN 0.365 nan 8.240 nan 0.000 0.447 655 V N 1.585 121.456 119.914 -0.072 0.000 2.324 655 V HA -0.032 4.089 4.120 0.000 0.000 0.250 655 V C 0.398 176.241 176.094 -0.419 0.000 1.060 655 V CA 1.446 63.599 62.300 -0.244 0.000 1.042 655 V CB -0.882 30.751 31.823 -0.316 0.000 0.650 655 V HN 0.850 nan 8.190 nan 0.000 0.450 656 F N -1.604 118.349 119.950 0.006 0.000 2.578 656 F HA 0.709 5.236 4.527 0.000 0.000 0.311 656 F C 0.252 176.022 175.800 -0.050 0.000 1.094 656 F CA -0.870 57.111 58.000 -0.032 0.000 0.923 656 F CB 1.373 40.341 39.000 -0.054 0.000 1.230 656 F HN -0.032 nan 8.300 nan 0.000 0.450 657 A N 2.892 125.742 122.820 0.049 0.000 2.445 657 A HA 0.380 4.700 4.320 0.000 0.000 0.242 657 A C -0.518 177.078 177.584 0.019 0.000 1.075 657 A CA -0.134 51.859 52.037 -0.075 0.000 0.777 657 A CB 0.458 19.244 19.000 -0.357 0.000 1.013 657 A HN 0.731 nan 8.150 nan 0.000 0.493 658 K N 1.476 121.904 120.400 0.046 0.000 2.483 658 K HA 0.428 4.748 4.320 0.000 0.000 0.256 658 K C -0.684 175.943 176.600 0.046 0.000 0.961 658 K CA -0.318 55.998 56.287 0.047 0.000 0.873 658 K CB 0.616 33.147 32.500 0.053 0.000 1.107 658 K HN 0.737 nan 8.250 nan 0.000 0.432 659 D N 1.253 121.676 120.400 0.039 0.000 2.332 659 D HA -0.217 4.423 4.640 0.000 0.000 0.166 659 D C -0.686 175.650 176.300 0.059 0.000 1.574 659 D CA 2.062 56.088 54.000 0.044 0.000 1.598 659 D CB -0.563 40.264 40.800 0.044 0.000 1.354 659 D HN 0.739 nan 8.370 nan 0.000 0.481 660 K N -0.744 119.697 120.400 0.069 0.000 2.568 660 K HA 0.591 4.911 4.320 0.000 0.000 0.273 660 K C -0.678 175.981 176.600 0.099 0.000 0.951 660 K CA -0.934 55.403 56.287 0.084 0.000 0.854 660 K CB 2.741 35.285 32.500 0.073 0.000 1.424 660 K HN 0.032 nan 8.250 nan 0.000 0.427 661 V N -0.954 119.024 119.914 0.108 0.000 2.581 661 V HA 0.607 4.727 4.120 0.000 0.000 0.303 661 V C 0.523 176.644 176.094 0.045 0.000 1.041 661 V CA 0.279 62.702 62.300 0.205 0.000 0.907 661 V CB 1.289 33.225 31.823 0.189 0.000 0.994 661 V HN 1.105 nan 8.190 nan 0.000 0.442 662 T N 0.150 114.730 114.554 0.044 0.000 2.978 662 T HA 0.221 4.571 4.350 0.000 0.000 0.248 662 T C 0.721 175.343 174.700 -0.129 0.000 1.018 662 T CA 0.724 62.691 62.100 -0.220 0.000 1.026 662 T CB 0.019 68.744 68.868 -0.239 0.000 1.032 662 T HN 1.419 nan 8.240 nan 0.000 0.485 663 C N 0.299 119.561 119.300 -0.064 0.000 3.157 663 C HA 0.828 5.288 4.460 0.000 0.000 0.368 663 C C 1.087 176.094 174.990 0.029 0.000 1.623 663 C CA -0.533 58.473 59.018 -0.020 0.000 1.530 663 C CB 0.960 28.679 27.740 -0.036 0.000 2.152 663 C HN 0.170 nan 8.230 nan 0.000 0.456 664 V N 1.884 121.817 119.914 0.032 0.000 3.387 664 V HA 0.493 4.613 4.120 0.000 0.000 0.353 664 V C 1.281 177.415 176.094 0.067 0.000 1.193 664 V CA 1.029 63.353 62.300 0.040 0.000 1.379 664 V CB -1.705 30.138 31.823 0.033 0.000 1.157 664 V HN 1.911 nan 8.190 nan 0.000 0.431 665 G N 0.457 109.317 108.800 0.101 0.000 3.035 665 G HA2 -0.168 3.792 3.960 0.000 0.000 0.214 665 G HA3 -0.168 3.792 3.960 0.000 0.000 0.214 665 G C -0.055 174.952 174.900 0.179 0.000 1.063 665 G CA -0.197 44.996 45.100 0.155 0.000 1.109 665 G HN 0.953 nan 8.290 nan 0.000 0.563 666 H N -0.757 118.340 119.070 0.044 0.000 2.639 666 H HA -0.203 4.353 4.556 0.000 0.000 0.257 666 H C 0.816 176.198 175.328 0.089 0.000 0.689 666 H CA 0.729 56.811 56.048 0.057 0.000 0.853 666 H CB 0.191 29.982 29.762 0.048 0.000 1.368 666 H HN 0.595 nan 8.280 nan 0.000 0.268 667 I N 7.614 128.320 120.570 0.228 0.000 2.416 667 I HA -0.053 4.117 4.170 0.000 0.000 0.288 667 I C 1.496 177.661 176.117 0.080 0.000 1.051 667 I CA -0.057 61.338 61.300 0.159 0.000 1.375 667 I CB 0.850 38.984 38.000 0.225 0.000 1.407 667 I HN 0.542 nan 8.210 nan 0.000 0.516 668 I N 4.294 124.898 120.570 0.057 0.000 2.867 668 I HA 0.190 4.360 4.170 0.000 0.000 0.265 668 I C 1.198 177.250 176.117 -0.108 0.000 1.162 668 I CA 0.447 61.744 61.300 -0.005 0.000 1.471 668 I CB 0.262 38.273 38.000 0.017 0.000 1.123 668 I HN 0.819 nan 8.210 nan 0.000 0.440 669 G N 0.133 108.838 108.800 -0.157 0.000 2.348 669 G HA2 0.670 4.630 3.960 0.000 0.000 0.296 669 G HA3 0.670 4.630 3.960 0.000 0.000 0.296 669 G C -2.070 172.645 174.900 -0.309 0.000 1.258 669 G CA 0.161 44.841 45.100 -0.700 0.000 0.868 669 G HN 0.214 nan 8.290 nan 0.000 0.488 670 A N -1.422 121.128 122.820 -0.450 0.000 2.594 670 A HA 0.909 5.229 4.320 0.000 0.000 0.291 670 A C -0.693 176.857 177.584 -0.056 0.000 1.105 670 A CA -0.032 51.942 52.037 -0.105 0.000 0.694 670 A CB 1.446 20.441 19.000 -0.010 0.000 1.291 670 A HN 2.071 nan 8.150 nan 0.000 0.410 671 V N -1.069 118.891 119.914 0.078 0.000 2.769 671 V HA 0.834 4.954 4.120 0.000 0.000 0.312 671 V C -0.396 175.667 176.094 -0.051 0.000 1.058 671 V CA -0.821 61.529 62.300 0.084 0.000 0.952 671 V CB 1.406 33.345 31.823 0.194 0.000 1.019 671 V HN 0.704 nan 8.190 nan 0.000 0.445 672 V N 2.725 122.516 119.914 -0.206 0.000 2.376 672 V HA 0.880 5.000 4.120 0.000 0.000 0.287 672 V C 0.378 176.347 176.094 -0.208 0.000 1.015 672 V CA 0.449 62.645 62.300 -0.174 0.000 0.834 672 V CB 0.830 32.554 31.823 -0.166 0.000 1.001 672 V HN 1.383 nan 8.190 nan 0.000 0.428 673 A N 3.634 126.408 122.820 -0.076 0.000 2.539 673 A HA 0.684 5.004 4.320 0.000 0.000 0.272 673 A C 0.844 178.449 177.584 0.034 0.000 1.286 673 A CA 0.203 52.226 52.037 -0.022 0.000 0.792 673 A CB 1.139 20.176 19.000 0.062 0.000 1.355 673 A HN 0.664 nan 8.150 nan 0.000 0.472 674 D N -0.862 119.597 120.400 0.098 0.000 2.271 674 D HA 0.030 4.670 4.640 0.000 0.000 0.206 674 D C 0.698 177.038 176.300 0.067 0.000 0.967 674 D CA 1.768 55.823 54.000 0.093 0.000 0.867 674 D CB 0.068 40.936 40.800 0.114 0.000 0.960 674 D HN 0.683 nan 8.370 nan 0.000 0.509 675 T N -2.833 111.761 114.554 0.066 0.000 2.865 675 T HA 0.410 4.760 4.350 0.000 0.000 0.294 675 T C -2.390 172.306 174.700 -0.007 0.000 1.119 675 T CA -1.406 60.672 62.100 -0.035 0.000 1.007 675 T CB 2.522 71.261 68.868 -0.214 0.000 1.225 675 T HN -0.301 nan 8.240 nan 0.000 0.515 676 P HA 0.138 nan 4.420 nan 0.000 0.236 676 P C 0.513 177.821 177.300 0.013 0.000 1.177 676 P CA 0.675 63.780 63.100 0.008 0.000 0.773 676 P CB 0.237 31.940 31.700 0.004 0.000 0.878 677 E N -0.939 119.238 120.200 -0.039 0.000 2.230 677 E HA -0.074 4.277 4.350 0.000 0.000 0.192 677 E C 1.881 178.540 176.600 0.099 0.000 0.987 677 E CA 0.651 57.048 56.400 -0.006 0.000 0.841 677 E CB -0.681 28.994 29.700 -0.041 0.000 0.783 677 E HN 0.528 nan 8.360 nan 0.000 0.481 678 H N -0.425 118.673 119.070 0.047 0.000 2.395 678 H HA -0.018 4.538 4.556 0.000 0.000 0.299 678 H C 1.972 177.340 175.328 0.066 0.000 1.070 678 H CA 1.125 57.209 56.048 0.060 0.000 1.356 678 H CB 0.231 30.029 29.762 0.059 0.000 1.401 678 H HN 0.052 nan 8.280 nan 0.000 0.524 679 T N 0.316 114.977 114.554 0.177 0.000 2.737 679 T HA -0.199 4.151 4.350 0.000 0.000 0.269 679 T C 2.087 176.853 174.700 0.109 0.000 1.040 679 T CA 1.197 63.369 62.100 0.120 0.000 1.142 679 T CB -0.100 68.813 68.868 0.076 0.000 0.861 679 T HN 0.315 nan 8.240 nan 0.000 0.456 680 Q N 0.561 120.418 119.800 0.095 0.000 2.020 680 Q HA -0.062 4.278 4.340 0.000 0.000 0.202 680 Q C 2.596 178.648 176.000 0.087 0.000 0.982 680 Q CA 1.470 57.318 55.803 0.075 0.000 0.838 680 Q CB -0.215 28.560 28.738 0.062 0.000 0.899 680 Q HN 0.556 nan 8.270 nan 0.000 0.423 681 R N -0.055 120.510 120.500 0.110 0.000 2.096 681 R HA -0.098 4.242 4.340 0.000 0.000 0.235 681 R C 2.231 178.585 176.300 0.089 0.000 1.127 681 R CA 1.047 57.204 56.100 0.095 0.000 0.968 681 R CB -0.447 29.918 30.300 0.107 0.000 0.861 681 R HN 0.184 nan 8.270 nan 0.000 0.440 682 A N 2.008 124.907 122.820 0.131 0.000 1.828 682 A HA -0.107 4.213 4.320 0.000 0.000 0.215 682 A C 2.501 180.160 177.584 0.125 0.000 1.203 682 A CA 1.724 53.862 52.037 0.169 0.000 0.614 682 A CB -1.091 18.094 19.000 0.308 0.000 0.844 682 A HN 0.348 nan 8.150 nan 0.000 0.445 683 A N -1.216 121.679 122.820 0.126 0.000 2.067 683 A HA -0.400 3.920 4.320 0.000 0.000 0.226 683 A C 2.068 179.688 177.584 0.060 0.000 1.246 683 A CA 3.022 55.116 52.037 0.096 0.000 0.689 683 A CB -0.633 18.415 19.000 0.079 0.000 0.826 683 A HN 0.698 nan 8.150 nan 0.000 0.497 684 Q N -1.906 117.924 119.800 0.050 0.000 2.084 684 Q HA 0.256 4.596 4.340 0.000 0.000 0.194 684 Q C 1.967 177.972 176.000 0.009 0.000 0.969 684 Q CA 2.035 57.857 55.803 0.032 0.000 0.829 684 Q CB -1.148 27.612 28.738 0.037 0.000 0.904 684 Q HN 0.637 nan 8.270 nan 0.000 0.464 685 G N 0.962 109.758 108.800 -0.007 0.000 3.282 685 G HA2 -0.392 3.568 3.960 0.000 0.000 0.358 685 G HA3 -0.392 3.568 3.960 0.000 0.000 0.358 685 G C 0.579 175.431 174.900 -0.078 0.000 1.920 685 G CA 1.862 46.937 45.100 -0.041 0.000 2.137 685 G HN 0.850 nan 8.290 nan 0.000 0.942 686 V N 0.204 120.071 119.914 -0.078 0.000 2.461 686 V HA 0.687 4.807 4.120 0.000 0.000 0.275 686 V C -0.002 176.023 176.094 -0.115 0.000 1.047 686 V CA -0.164 62.041 62.300 -0.158 0.000 0.955 686 V CB 1.439 33.105 31.823 -0.262 0.000 0.988 686 V HN 0.465 nan 8.190 nan 0.000 0.471 687 K N 7.456 127.777 120.400 -0.131 0.000 2.358 687 K HA 0.541 4.861 4.320 0.000 0.000 0.260 687 K C -0.631 175.884 176.600 -0.143 0.000 0.956 687 K CA -0.918 55.309 56.287 -0.101 0.000 0.834 687 K CB 1.494 33.946 32.500 -0.081 0.000 1.102 687 K HN 0.893 nan 8.250 nan 0.000 0.431 688 I N 1.373 121.841 120.570 -0.171 0.000 2.577 688 I HA 0.487 4.657 4.170 0.000 0.000 0.305 688 I C -0.560 175.298 176.117 -0.432 0.000 0.986 688 I CA -0.352 60.757 61.300 -0.318 0.000 1.189 688 I CB 1.082 38.835 38.000 -0.412 0.000 1.355 688 I HN 0.627 nan 8.210 nan 0.000 0.476 689 T N 3.362 117.666 114.554 -0.417 0.000 2.840 689 T HA 0.698 5.048 4.350 0.000 0.000 0.287 689 T C -1.027 173.544 174.700 -0.216 0.000 0.991 689 T CA -0.442 61.493 62.100 -0.276 0.000 0.964 689 T CB 0.585 69.386 68.868 -0.112 0.000 0.954 689 T HN 0.530 nan 8.240 nan 0.000 0.438 690 Y N 0.235 120.542 120.300 0.011 0.000 2.524 690 Y HA 0.709 5.259 4.550 0.000 0.000 0.344 690 Y C 0.262 176.175 175.900 0.022 0.000 1.012 690 Y CA -1.412 56.700 58.100 0.020 0.000 1.068 690 Y CB 1.691 40.168 38.460 0.028 0.000 1.249 690 Y HN 0.681 nan 8.280 nan 0.000 0.468 691 E N 1.656 121.974 120.200 0.197 0.000 2.210 691 E HA 0.192 4.542 4.350 0.000 0.000 0.266 691 E C -1.466 175.198 176.600 0.108 0.000 0.883 691 E CA -0.669 55.800 56.400 0.116 0.000 0.761 691 E CB 1.600 31.346 29.700 0.076 0.000 1.156 691 E HN 0.833 nan 8.360 nan 0.000 0.412 692 E N 5.663 125.906 120.200 0.071 0.000 2.103 692 E HA 0.175 4.525 4.350 0.000 0.000 0.254 692 E C -0.584 176.031 176.600 0.025 0.000 0.940 692 E CA -0.677 55.754 56.400 0.051 0.000 0.771 692 E CB 0.356 30.072 29.700 0.027 0.000 1.153 692 E HN 0.355 nan 8.360 nan 0.000 0.428 693 L N 4.869 126.110 121.223 0.031 0.000 2.474 693 L HA 0.258 4.598 4.340 0.000 0.000 0.259 693 L C -1.751 175.034 176.870 -0.143 0.000 1.232 693 L CA -1.336 53.462 54.840 -0.071 0.000 0.821 693 L CB -0.539 41.434 42.059 -0.144 0.000 1.108 693 L HN 0.509 nan 8.230 nan 0.000 0.495 694 P HA 0.382 nan 4.420 nan 0.000 0.279 694 P C -1.678 175.497 177.300 -0.209 0.000 1.252 694 P CA -0.634 62.363 63.100 -0.171 0.000 0.811 694 P CB 1.259 32.872 31.700 -0.144 0.000 1.035 695 A N 2.716 125.486 122.820 -0.083 0.000 2.291 695 A HA 0.561 4.881 4.320 0.000 0.000 0.311 695 A C 0.078 177.655 177.584 -0.012 0.000 1.224 695 A CA -0.870 51.162 52.037 -0.010 0.000 0.821 695 A CB 0.103 19.109 19.000 0.010 0.000 1.172 695 A HN 0.445 nan 8.150 nan 0.000 0.494 696 I N 3.697 124.272 120.570 0.010 0.000 2.416 696 I HA 0.209 4.379 4.170 0.000 0.000 0.288 696 I C 0.449 176.562 176.117 -0.006 0.000 1.051 696 I CA 0.249 61.547 61.300 -0.004 0.000 1.375 696 I CB 0.998 38.997 38.000 -0.001 0.000 1.407 696 I HN 0.725 nan 8.210 nan 0.000 0.516 697 I N 2.714 123.268 120.570 -0.026 0.000 3.674 697 I HA 0.000 4.170 4.170 0.000 0.000 0.248 697 I C 1.293 177.370 176.117 -0.067 0.000 1.134 697 I CA 0.336 61.607 61.300 -0.048 0.000 1.519 697 I CB 0.572 38.539 38.000 -0.055 0.000 1.598 697 I HN 0.617 nan 8.210 nan 0.000 0.442 698 T N 1.643 116.156 114.554 -0.068 0.000 2.900 698 T HA 0.086 4.436 4.350 0.000 0.000 0.307 698 T C 1.599 176.252 174.700 -0.079 0.000 1.065 698 T CA -0.337 61.712 62.100 -0.086 0.000 1.105 698 T CB 0.567 69.383 68.868 -0.087 0.000 0.979 698 T HN 0.107 nan 8.240 nan 0.000 0.544 699 I N 1.670 122.175 120.570 -0.108 0.000 2.068 699 I HA -0.128 4.042 4.170 0.000 0.000 0.238 699 I C 1.715 177.783 176.117 -0.081 0.000 1.046 699 I CA 1.497 62.742 61.300 -0.093 0.000 1.306 699 I CB -1.451 36.450 38.000 -0.164 0.000 1.023 699 I HN 0.812 nan 8.210 nan 0.000 0.399 700 E N 2.110 122.231 120.200 -0.131 0.000 2.447 700 E HA -0.067 4.283 4.350 0.000 0.000 0.259 700 E C 0.012 176.576 176.600 -0.059 0.000 1.196 700 E CA 0.142 56.484 56.400 -0.095 0.000 0.995 700 E CB 0.465 30.098 29.700 -0.112 0.000 0.974 700 E HN 0.334 nan 8.360 nan 0.000 0.465 701 D N 0.173 120.546 120.400 -0.045 0.000 4.084 701 D HA -0.363 4.277 4.640 0.000 0.000 0.147 701 D C 1.172 177.459 176.300 -0.022 0.000 0.905 701 D CA 2.655 56.633 54.000 -0.037 0.000 1.071 701 D CB -1.653 39.126 40.800 -0.036 0.000 0.563 701 D HN 0.823 nan 8.370 nan 0.000 0.588 702 A N 0.023 122.841 122.820 -0.003 0.000 1.386 702 A HA -0.421 3.899 4.320 0.000 0.000 0.382 702 A C 2.180 179.778 177.584 0.024 0.000 5.504 702 A CA 4.580 56.650 52.037 0.054 0.000 1.054 702 A CB -2.050 17.042 19.000 0.154 0.000 1.038 702 A HN 0.823 nan 8.150 nan 0.000 0.602 703 I N -1.787 118.843 120.570 0.099 0.000 2.235 703 I HA -0.119 4.051 4.170 0.000 0.000 0.241 703 I C 2.339 178.461 176.117 0.008 0.000 1.085 703 I CA 1.708 63.086 61.300 0.130 0.000 1.378 703 I CB -0.540 37.557 38.000 0.162 0.000 1.076 703 I HN 0.422 nan 8.210 nan 0.000 0.415 704 K N 1.188 121.581 120.400 -0.012 0.000 2.362 704 K HA -0.170 4.150 4.320 0.000 0.000 0.202 704 K C 1.283 177.850 176.600 -0.054 0.000 1.045 704 K CA 1.282 57.552 56.287 -0.028 0.000 0.936 704 K CB -0.115 32.366 32.500 -0.031 0.000 0.747 704 K HN 0.422 nan 8.250 nan 0.000 0.467 705 N N 0.614 119.264 118.700 -0.084 0.000 2.220 705 N HA -0.066 4.674 4.740 0.000 0.000 0.195 705 N C -0.640 174.760 175.510 -0.184 0.000 1.123 705 N CA 0.026 53.008 53.050 -0.113 0.000 0.874 705 N CB 0.123 38.546 38.487 -0.107 0.000 0.995 705 N HN 0.189 nan 8.380 nan 0.000 0.498 706 N N 0.784 119.325 118.700 -0.263 0.000 2.560 706 N HA -0.200 4.540 4.740 0.000 0.000 0.296 706 N C 0.441 175.556 175.510 -0.657 0.000 1.257 706 N CA 0.211 52.938 53.050 -0.538 0.000 0.717 706 N CB -0.158 38.128 38.487 -0.335 0.000 0.951 706 N HN -0.059 nan 8.380 nan 0.000 0.542 707 S N 1.743 116.896 115.700 -0.913 0.000 2.309 707 S HA 0.147 4.618 4.470 0.000 0.000 0.206 707 S C 0.181 174.538 174.600 -0.405 0.000 1.028 707 S CA 0.978 58.876 58.200 -0.503 0.000 0.972 707 S CB -0.021 63.102 63.200 -0.129 0.000 0.961 707 S HN 0.524 nan 8.310 nan 0.000 0.449 708 F N -0.141 119.808 119.950 -0.001 0.000 2.444 708 F HA 0.615 5.142 4.527 0.000 0.000 0.342 708 F C -0.828 174.984 175.800 0.021 0.000 1.121 708 F CA -2.781 55.226 58.000 0.012 0.000 0.997 708 F CB -1.326 37.749 39.000 0.125 0.000 1.130 708 F HN 0.232 nan 8.300 nan 0.000 0.454 709 Y N 1.965 122.403 120.300 0.230 0.000 2.961 709 Y HA 0.037 4.587 4.550 0.000 0.000 0.184 709 Y C 1.339 177.297 175.900 0.097 0.000 1.515 709 Y CA 1.235 59.413 58.100 0.131 0.000 0.883 709 Y CB -1.267 37.245 38.460 0.087 0.000 1.412 709 Y HN 1.399 nan 8.280 nan 0.000 0.362 710 G N 1.114 110.017 108.800 0.173 0.000 2.953 710 G HA2 -0.147 3.813 3.960 0.000 0.000 0.421 710 G HA3 -0.147 3.813 3.960 0.000 0.000 0.421 710 G C -2.367 172.582 174.900 0.083 0.000 1.531 710 G CA -0.745 44.421 45.100 0.110 0.000 0.971 710 G HN 0.602 nan 8.290 nan 0.000 0.558 711 P HA 0.387 nan 4.420 nan 0.000 0.287 711 P C 0.177 177.465 177.300 -0.020 0.000 1.281 711 P CA -0.242 62.876 63.100 0.032 0.000 0.781 711 P CB 1.173 32.889 31.700 0.027 0.000 0.903 712 E N 3.258 123.436 120.200 -0.035 0.000 3.557 712 E HA -0.153 4.197 4.350 0.000 0.000 0.264 712 E C -1.124 175.441 176.600 -0.057 0.000 0.847 712 E CA 0.264 56.618 56.400 -0.076 0.000 0.966 712 E CB -0.321 29.346 29.700 -0.055 0.000 0.905 712 E HN 0.297 nan 8.360 nan 0.000 0.567 713 L N 4.996 126.169 121.223 -0.083 0.000 2.371 713 L HA 0.369 4.709 4.340 0.000 0.000 0.272 713 L C 0.219 177.100 176.870 0.019 0.000 1.124 713 L CA 0.387 55.188 54.840 -0.064 0.000 0.816 713 L CB 0.935 42.916 42.059 -0.130 0.000 1.129 713 L HN 0.702 nan 8.230 nan 0.000 0.448 714 K N 3.417 123.884 120.400 0.112 0.000 2.551 714 K HA 0.630 4.950 4.320 0.000 0.000 0.269 714 K C -1.683 175.043 176.600 0.209 0.000 0.949 714 K CA -0.712 55.660 56.287 0.142 0.000 0.849 714 K CB 1.799 34.354 32.500 0.093 0.000 1.411 714 K HN 0.437 nan 8.250 nan 0.000 0.432 715 I N 1.329 122.000 120.570 0.168 0.000 2.509 715 I HA 0.389 4.559 4.170 0.000 0.000 0.293 715 I C -0.682 175.529 176.117 0.157 0.000 1.020 715 I CA -0.733 60.662 61.300 0.159 0.000 1.088 715 I CB 2.173 40.272 38.000 0.165 0.000 1.267 715 I HN 0.667 nan 8.210 nan 0.000 0.430 716 E N 5.288 125.574 120.200 0.143 0.000 2.314 716 E HA 0.519 4.869 4.350 0.000 0.000 0.272 716 E C -1.313 175.358 176.600 0.119 0.000 0.884 716 E CA -0.974 55.502 56.400 0.127 0.000 0.753 716 E CB 3.305 33.065 29.700 0.100 0.000 1.213 716 E HN 0.393 nan 8.360 nan 0.000 0.432 717 K N 1.654 122.121 120.400 0.112 0.000 2.557 717 K HA 0.490 4.810 4.320 0.000 0.000 0.257 717 K C -0.019 176.622 176.600 0.068 0.000 0.933 717 K CA 0.301 56.644 56.287 0.093 0.000 0.820 717 K CB 1.593 34.163 32.500 0.117 0.000 1.330 717 K HN 0.691 nan 8.250 nan 0.000 0.432 718 G N 3.100 111.927 108.800 0.046 0.000 2.552 718 G HA2 -0.239 3.721 3.960 0.000 0.000 0.267 718 G HA3 -0.239 3.721 3.960 0.000 0.000 0.267 718 G C -0.644 174.278 174.900 0.036 0.000 1.174 718 G CA 0.780 45.898 45.100 0.029 0.000 0.955 718 G HN 1.203 nan 8.290 nan 0.000 0.546 719 D N -2.146 118.277 120.400 0.038 0.000 10.535 719 D HA 0.295 4.935 4.640 0.000 0.000 0.281 719 D C 0.151 176.464 176.300 0.021 0.000 2.991 719 D CA 0.915 54.938 54.000 0.039 0.000 2.873 719 D CB -0.914 39.905 40.800 0.031 0.000 1.509 719 D HN 1.919 nan 8.370 nan 0.000 0.887 720 L N 2.855 124.103 121.223 0.041 0.000 1.264 720 L HA 0.136 4.476 4.340 0.000 0.000 0.095 720 L C 1.171 178.143 176.870 0.170 0.000 1.410 720 L CA 0.388 55.270 54.840 0.070 0.000 1.187 720 L CB -1.437 40.686 42.059 0.106 0.000 2.452 720 L HN 0.473 nan 8.230 nan 0.000 0.464 721 K N 1.689 122.176 120.400 0.146 0.000 2.077 721 K HA -0.199 4.121 4.320 0.000 0.000 0.213 721 K C 1.934 178.601 176.600 0.111 0.000 1.051 721 K CA 2.455 58.822 56.287 0.133 0.000 0.929 721 K CB -0.343 32.202 32.500 0.075 0.000 0.715 721 K HN 0.396 nan 8.250 nan 0.000 0.451 722 K N -0.434 120.001 120.400 0.059 0.000 1.977 722 K HA -0.086 4.234 4.320 0.000 0.000 0.218 722 K C 1.173 177.767 176.600 -0.011 0.000 1.051 722 K CA 1.431 57.730 56.287 0.020 0.000 0.953 722 K CB -0.848 31.652 32.500 0.001 0.000 0.727 722 K HN 0.329 nan 8.250 nan 0.000 0.445 723 G N -0.992 107.762 108.800 -0.076 0.000 2.771 723 G HA2 0.041 4.001 3.960 0.000 0.000 0.242 723 G HA3 0.041 4.001 3.960 0.000 0.000 0.242 723 G C 0.121 174.937 174.900 -0.139 0.000 1.233 723 G CA 0.334 45.307 45.100 -0.211 0.000 0.858 723 G HN 0.523 nan 8.290 nan 0.000 0.591 724 F N -1.162 118.770 119.950 -0.030 0.000 2.555 724 F HA -0.378 4.149 4.527 0.000 0.000 0.693 724 F C 2.793 178.569 175.800 -0.040 0.000 0.487 724 F CA 2.378 60.357 58.000 -0.035 0.000 0.748 724 F CB -1.534 37.451 39.000 -0.025 0.000 1.624 724 F HN 0.628 nan 8.300 nan 0.000 0.266 725 S N -0.155 115.640 115.700 0.159 0.000 2.399 725 S HA -0.170 4.300 4.470 0.000 0.000 0.231 725 S C 1.225 175.835 174.600 0.017 0.000 1.022 725 S CA 1.715 59.954 58.200 0.064 0.000 0.983 725 S CB -0.378 62.850 63.200 0.047 0.000 0.803 725 S HN 0.682 nan 8.310 nan 0.000 0.480 726 E N 1.137 121.334 120.200 -0.006 0.000 2.476 726 E HA 0.437 4.787 4.350 0.000 0.000 0.191 726 E C 0.232 176.796 176.600 -0.061 0.000 1.064 726 E CA 0.077 56.454 56.400 -0.038 0.000 0.866 726 E CB 0.431 30.101 29.700 -0.049 0.000 0.952 726 E HN 0.672 nan 8.360 nan 0.000 0.492 727 A N 0.362 123.145 122.820 -0.061 0.000 2.401 727 A HA 0.270 4.591 4.320 0.000 0.000 0.310 727 A C 0.067 177.576 177.584 -0.124 0.000 1.075 727 A CA -0.731 51.246 52.037 -0.101 0.000 0.746 727 A CB 1.289 20.220 19.000 -0.115 0.000 1.277 727 A HN -0.088 nan 8.150 nan 0.000 0.425 728 D N 0.541 120.824 120.400 -0.194 0.000 2.091 728 D HA -0.024 4.616 4.640 0.000 0.000 0.199 728 D C -0.026 176.086 176.300 -0.314 0.000 0.980 728 D CA 1.344 55.203 54.000 -0.234 0.000 0.831 728 D CB 0.215 40.864 40.800 -0.251 0.000 0.987 728 D HN 0.629 nan 8.370 nan 0.000 0.460 729 N N -0.173 118.188 118.700 -0.565 0.000 2.265 729 N HA 0.332 5.072 4.740 0.000 0.000 0.300 729 N C -1.357 173.935 175.510 -0.364 0.000 1.148 729 N CA -0.447 52.269 53.050 -0.557 0.000 0.772 729 N CB 3.413 41.395 38.487 -0.842 0.000 1.434 729 N HN -0.203 nan 8.380 nan 0.000 0.481 730 V N 2.115 121.982 119.914 -0.079 0.000 2.380 730 V HA 0.310 4.430 4.120 0.000 0.000 0.286 730 V C -0.364 175.809 176.094 0.132 0.000 1.015 730 V CA -0.510 61.857 62.300 0.111 0.000 0.834 730 V CB 1.266 33.159 31.823 0.115 0.000 1.009 730 V HN 0.458 nan 8.190 nan 0.000 0.428 731 V N 3.529 123.584 119.914 0.234 0.000 3.093 731 V HA 0.913 5.034 4.120 0.000 0.000 0.320 731 V C 0.026 176.087 176.094 -0.055 0.000 1.093 731 V CA -0.678 61.667 62.300 0.075 0.000 1.016 731 V CB 1.905 33.769 31.823 0.068 0.000 1.096 731 V HN 0.765 nan 8.190 nan 0.000 0.452 732 S N 0.024 115.606 115.700 -0.197 0.000 2.511 732 S HA 0.710 5.180 4.470 0.000 0.000 0.283 732 S C -0.322 174.048 174.600 -0.384 0.000 1.078 732 S CA 0.187 58.209 58.200 -0.297 0.000 0.994 732 S CB 0.634 63.745 63.200 -0.149 0.000 1.171 732 S HN 1.724 nan 8.310 nan 0.000 0.444 733 G N 2.003 110.372 108.800 -0.717 0.000 2.600 733 G HA2 0.698 4.658 3.960 0.000 0.000 0.293 733 G HA3 0.698 4.658 3.960 0.000 0.000 0.293 733 G C -1.926 172.761 174.900 -0.354 0.000 1.408 733 G CA -0.563 44.213 45.100 -0.540 0.000 0.782 733 G HN 0.635 nan 8.290 nan 0.000 0.482 734 E N -1.300 118.952 120.200 0.087 0.000 2.356 734 E HA 0.677 5.027 4.350 0.000 0.000 0.275 734 E C -1.430 175.370 176.600 0.333 0.000 0.904 734 E CA -0.987 55.571 56.400 0.264 0.000 0.757 734 E CB 2.573 32.353 29.700 0.135 0.000 1.232 734 E HN 0.996 nan 8.360 nan 0.000 0.442 735 I N 0.292 121.061 120.570 0.332 0.000 2.913 735 I HA 0.519 4.689 4.170 0.000 0.000 0.302 735 I C -2.133 174.164 176.117 0.299 0.000 1.246 735 I CA -1.005 60.461 61.300 0.275 0.000 1.010 735 I CB 2.095 40.236 38.000 0.235 0.000 1.259 735 I HN 0.620 nan 8.210 nan 0.000 0.434 736 Y N 6.621 126.994 120.300 0.122 0.000 2.331 736 Y HA 0.686 5.236 4.550 0.000 0.000 0.338 736 Y C -0.891 175.061 175.900 0.087 0.000 0.976 736 Y CA -1.650 56.516 58.100 0.109 0.000 1.137 736 Y CB 1.098 39.608 38.460 0.085 0.000 1.172 736 Y HN 0.473 nan 8.280 nan 0.000 0.478 737 I N 6.347 126.854 120.570 -0.104 0.000 2.321 737 I HA 0.404 4.574 4.170 0.000 0.000 0.291 737 I C 1.032 176.846 176.117 -0.506 0.000 0.998 737 I CA -0.937 60.195 61.300 -0.280 0.000 1.227 737 I CB 0.988 38.953 38.000 -0.058 0.000 1.368 737 I HN 0.803 nan 8.210 nan 0.000 0.466 738 G N 4.126 112.600 108.800 -0.544 0.000 2.630 738 G HA2 0.336 4.296 3.960 0.000 0.000 0.236 738 G HA3 0.336 4.296 3.960 0.000 0.000 0.236 738 G C 0.483 175.300 174.900 -0.138 0.000 1.248 738 G CA -0.139 44.737 45.100 -0.373 0.000 0.844 738 G HN 0.816 nan 8.290 nan 0.000 0.588 739 G N -0.934 107.833 108.800 -0.054 0.000 2.621 739 G HA2 0.524 4.484 3.960 0.000 0.000 0.271 739 G HA3 0.524 4.484 3.960 0.000 0.000 0.271 739 G C -0.246 174.631 174.900 -0.038 0.000 1.236 739 G CA -0.129 44.964 45.100 -0.011 0.000 0.958 739 G HN 0.823 nan 8.290 nan 0.000 0.512 740 Q N -1.160 118.582 119.800 -0.097 0.000 2.472 740 Q HA 0.365 4.705 4.340 0.000 0.000 0.281 740 Q C -1.727 174.206 176.000 -0.112 0.000 0.997 740 Q CA -0.755 54.981 55.803 -0.111 0.000 0.828 740 Q CB 2.112 30.680 28.738 -0.284 0.000 1.443 740 Q HN 0.494 nan 8.270 nan 0.000 0.390 741 E N 0.609 120.798 120.200 -0.017 0.000 2.249 741 E HA 0.210 4.561 4.350 0.000 0.000 0.280 741 E C -0.264 176.393 176.600 0.096 0.000 1.016 741 E CA 0.321 56.651 56.400 -0.117 0.000 0.830 741 E CB 0.839 30.188 29.700 -0.587 0.000 1.081 741 E HN 0.704 nan 8.360 nan 0.000 0.395 742 H N 3.816 122.884 119.070 -0.003 0.000 2.357 742 H HA 0.028 4.584 4.556 0.000 0.000 0.301 742 H C -0.028 175.005 175.328 -0.492 0.000 1.082 742 H CA 1.335 57.100 56.048 -0.470 0.000 1.342 742 H CB -0.227 28.988 29.762 -0.911 0.000 1.389 742 H HN 0.662 nan 8.280 nan 0.000 0.511 743 F N 1.365 121.049 119.950 -0.444 0.000 2.594 743 F HA -0.299 4.228 4.527 0.000 0.000 0.208 743 F C -0.769 174.900 175.800 -0.219 0.000 1.032 743 F CA -0.710 57.133 58.000 -0.261 0.000 0.877 743 F CB -0.911 38.073 39.000 -0.027 0.000 0.814 743 F HN 0.131 nan 8.300 nan 0.000 0.844 744 Y N 1.246 121.636 120.300 0.149 0.000 2.334 744 Y HA 0.408 4.958 4.550 0.000 0.000 0.325 744 Y C 0.937 176.950 175.900 0.187 0.000 1.308 744 Y CA -1.796 56.440 58.100 0.227 0.000 1.389 744 Y CB 0.027 38.600 38.460 0.189 0.000 1.328 744 Y HN 0.106 nan 8.280 nan 0.000 0.532 745 L N -0.216 121.244 121.223 0.395 0.000 2.095 745 L HA 0.034 4.374 4.340 0.000 0.000 0.204 745 L C 0.921 177.806 176.870 0.025 0.000 1.080 745 L CA 0.969 56.009 54.840 0.333 0.000 0.759 745 L CB -0.269 42.098 42.059 0.514 0.000 0.914 745 L HN 0.799 nan 8.230 nan 0.000 0.439 746 E N 0.959 120.816 120.200 -0.571 0.000 2.324 746 E HA 0.049 4.399 4.350 0.000 0.000 0.271 746 E C 0.075 176.335 176.600 -0.567 0.000 1.028 746 E CA -0.161 55.726 56.400 -0.854 0.000 0.890 746 E CB 0.976 30.088 29.700 -0.980 0.000 1.004 746 E HN 0.206 nan 8.360 nan 0.000 0.431 747 T N 1.567 115.888 114.554 -0.388 0.000 2.888 747 T HA 0.203 4.553 4.350 0.000 0.000 0.283 747 T C 0.347 174.822 174.700 -0.374 0.000 1.013 747 T CA -0.587 61.331 62.100 -0.304 0.000 0.938 747 T CB 0.754 69.612 68.868 -0.017 0.000 1.298 747 T HN 0.443 nan 8.240 nan 0.000 0.580 748 H N -0.651 118.277 119.070 -0.237 0.000 2.547 748 H HA 0.531 5.087 4.556 0.000 0.000 0.362 748 H C 0.478 175.730 175.328 -0.127 0.000 1.181 748 H CA 0.238 56.165 56.048 -0.201 0.000 1.376 748 H CB 1.173 30.870 29.762 -0.109 0.000 1.488 748 H HN 1.011 nan 8.280 nan 0.000 0.583 749 C N -0.045 119.263 119.300 0.012 0.000 3.132 749 C HA 0.493 4.953 4.460 0.000 0.000 0.336 749 C C -1.233 173.781 174.990 0.040 0.000 1.387 749 C CA -0.704 58.335 59.018 0.035 0.000 1.202 749 C CB 1.149 28.900 27.740 0.019 0.000 1.451 749 C HN 0.790 nan 8.230 nan 0.000 0.433 750 T N 1.597 116.184 114.554 0.056 0.000 3.798 750 T HA 0.437 4.787 4.350 0.000 0.000 0.339 750 T C -0.996 173.765 174.700 0.101 0.000 0.967 750 T CA -0.052 62.093 62.100 0.077 0.000 1.046 750 T CB 0.482 69.382 68.868 0.054 0.000 1.092 750 T HN 0.724 nan 8.240 nan 0.000 0.465 751 I N 2.738 123.405 120.570 0.161 0.000 2.325 751 I HA 0.652 4.822 4.170 0.000 0.000 0.291 751 I C 0.514 176.786 176.117 0.258 0.000 1.019 751 I CA -0.482 60.942 61.300 0.206 0.000 1.302 751 I CB 1.054 39.174 38.000 0.200 0.000 1.401 751 I HN 0.693 nan 8.210 nan 0.000 0.485 752 A N 6.332 129.256 122.820 0.174 0.000 2.304 752 A HA 0.673 4.993 4.320 0.000 0.000 0.314 752 A C -0.851 176.812 177.584 0.131 0.000 1.187 752 A CA -0.576 51.535 52.037 0.125 0.000 0.810 752 A CB 1.540 20.586 19.000 0.077 0.000 1.183 752 A HN 0.501 nan 8.150 nan 0.000 0.487 753 V N 5.972 125.965 119.914 0.131 0.000 2.326 753 V HA 0.563 4.683 4.120 0.000 0.000 0.281 753 V C -2.485 173.634 176.094 0.040 0.000 1.015 753 V CA -2.048 60.317 62.300 0.108 0.000 0.823 753 V CB 2.056 34.012 31.823 0.222 0.000 1.009 753 V HN 0.790 nan 8.190 nan 0.000 0.436 754 P HA 0.346 nan 4.420 nan 0.000 0.297 754 P C 0.141 177.433 177.300 -0.012 0.000 1.342 754 P CA -0.529 62.578 63.100 0.011 0.000 0.801 754 P CB 1.352 33.064 31.700 0.020 0.000 0.920 755 K N 2.601 122.999 120.400 -0.004 0.000 2.152 755 K HA -0.086 4.234 4.320 0.000 0.000 0.206 755 K C 1.472 178.066 176.600 -0.009 0.000 1.048 755 K CA 1.321 57.603 56.287 -0.009 0.000 0.933 755 K CB -0.645 31.856 32.500 0.001 0.000 0.721 755 K HN 0.753 nan 8.250 nan 0.000 0.447 756 G N 1.939 110.740 108.800 0.002 0.000 2.176 756 G HA2 -0.278 3.682 3.960 0.000 0.000 0.253 756 G HA3 -0.278 3.682 3.960 0.000 0.000 0.253 756 G C -0.421 174.482 174.900 0.006 0.000 0.979 756 G CA 0.459 45.559 45.100 0.001 0.000 0.641 756 G HN 0.529 nan 8.290 nan 0.000 0.530 757 E N -0.867 119.338 120.200 0.008 0.000 2.165 757 E HA 0.666 5.016 4.350 0.000 0.000 0.266 757 E C 0.753 177.362 176.600 0.014 0.000 0.889 757 E CA -0.570 55.836 56.400 0.010 0.000 0.756 757 E CB 1.835 31.538 29.700 0.005 0.000 1.131 757 E HN 1.635 nan 8.360 nan 0.000 0.411 758 A N 3.106 125.937 122.820 0.019 0.000 2.887 758 A HA -0.189 4.131 4.320 0.000 0.000 0.257 758 A C 1.442 179.039 177.584 0.022 0.000 1.372 758 A CA 1.274 53.323 52.037 0.019 0.000 0.879 758 A CB -2.221 16.786 19.000 0.012 0.000 1.082 758 A HN 1.830 nan 8.150 nan 0.000 0.703 759 G N -2.081 106.739 108.800 0.034 0.000 2.194 759 G HA2 -0.194 3.766 3.960 0.000 0.000 0.236 759 G HA3 -0.194 3.766 3.960 0.000 0.000 0.236 759 G C -0.074 174.844 174.900 0.031 0.000 0.987 759 G CA 0.934 46.061 45.100 0.045 0.000 0.635 759 G HN 1.355 nan 8.290 nan 0.000 0.520 760 E N 0.147 120.358 120.200 0.018 0.000 2.568 760 E HA 0.414 4.764 4.350 0.000 0.000 0.262 760 E C 0.462 177.067 176.600 0.008 0.000 0.961 760 E CA 0.809 57.213 56.400 0.006 0.000 0.945 760 E CB 0.271 29.972 29.700 0.003 0.000 0.924 760 E HN 0.474 nan 8.360 nan 0.000 0.467 761 M N 2.638 122.234 119.600 -0.007 0.000 2.470 761 M HA 0.267 4.747 4.480 0.000 0.000 0.285 761 M C -1.797 174.473 176.300 -0.052 0.000 1.213 761 M CA -0.546 54.747 55.300 -0.011 0.000 0.901 761 M CB 2.049 34.652 32.600 0.005 0.000 1.718 761 M HN 0.544 nan 8.290 nan 0.000 0.469 762 E N 3.478 123.632 120.200 -0.077 0.000 2.248 762 E HA 0.666 5.016 4.350 0.000 0.000 0.267 762 E C -2.267 174.146 176.600 -0.310 0.000 0.877 762 E CA -0.637 55.642 56.400 -0.202 0.000 0.759 762 E CB 1.955 31.539 29.700 -0.192 0.000 1.182 762 E HN 0.606 nan 8.360 nan 0.000 0.418 763 L N 4.146 125.113 121.223 -0.425 0.000 2.431 763 L HA 0.486 4.826 4.340 0.000 0.000 0.266 763 L C -1.317 175.293 176.870 -0.434 0.000 0.978 763 L CA -0.328 54.326 54.840 -0.310 0.000 0.822 763 L CB 1.670 43.650 42.059 -0.132 0.000 1.310 763 L HN 0.567 nan 8.230 nan 0.000 0.409 764 F N 3.002 122.956 119.950 0.006 0.000 2.347 764 F HA 0.704 5.231 4.527 0.000 0.000 0.366 764 F C -0.305 175.488 175.800 -0.012 0.000 1.107 764 F CA -0.846 57.154 58.000 -0.001 0.000 1.058 764 F CB 1.523 40.529 39.000 0.011 0.000 1.236 764 F HN 0.011 nan 8.300 nan 0.000 0.456 765 V N 1.631 121.607 119.914 0.104 0.000 2.733 765 V HA 0.278 4.398 4.120 0.000 0.000 0.306 765 V C -0.193 175.893 176.094 -0.013 0.000 1.084 765 V CA -0.994 61.325 62.300 0.033 0.000 0.905 765 V CB 2.100 33.914 31.823 -0.015 0.000 1.010 765 V HN 0.617 nan 8.190 nan 0.000 0.424 766 S N 3.103 118.775 115.700 -0.047 0.000 4.087 766 S HA 0.327 4.797 4.470 0.000 0.000 0.213 766 S C 0.117 174.626 174.600 -0.152 0.000 1.415 766 S CA 0.080 58.212 58.200 -0.113 0.000 0.893 766 S CB -0.476 62.612 63.200 -0.186 0.000 1.529 766 S HN 1.021 nan 8.310 nan 0.000 0.457 767 T N 1.927 116.414 114.554 -0.112 0.000 2.930 767 T HA 0.414 4.764 4.350 0.000 0.000 0.290 767 T C 0.750 175.382 174.700 -0.114 0.000 1.052 767 T CA -0.544 61.486 62.100 -0.116 0.000 1.017 767 T CB 1.691 70.506 68.868 -0.090 0.000 1.137 767 T HN 0.485 nan 8.240 nan 0.000 0.511 768 Q N 0.848 120.582 119.800 -0.109 0.000 2.339 768 Q HA 0.193 4.533 4.340 0.000 0.000 0.205 768 Q C 0.295 176.251 176.000 -0.072 0.000 0.925 768 Q CA 0.175 55.923 55.803 -0.093 0.000 0.898 768 Q CB 0.294 28.979 28.738 -0.089 0.000 1.013 768 Q HN 0.477 nan 8.270 nan 0.000 0.504 769 N N 0.496 119.149 118.700 -0.079 0.000 2.558 769 N HA 0.067 4.807 4.740 0.000 0.000 0.242 769 N C -0.085 175.359 175.510 -0.111 0.000 0.979 769 N CA 0.160 53.159 53.050 -0.084 0.000 0.931 769 N CB 1.492 39.929 38.487 -0.083 0.000 1.122 769 N HN -0.106 nan 8.380 nan 0.000 0.508 770 T N 2.904 117.399 114.554 -0.098 0.000 2.809 770 T HA -0.023 4.327 4.350 0.000 0.000 0.260 770 T C 1.942 176.574 174.700 -0.113 0.000 1.039 770 T CA 0.970 63.008 62.100 -0.102 0.000 1.141 770 T CB 0.038 68.851 68.868 -0.091 0.000 0.869 770 T HN 0.554 nan 8.240 nan 0.000 0.437 771 M N 0.583 120.120 119.600 -0.105 0.000 2.110 771 M HA -0.186 4.294 4.480 0.000 0.000 0.257 771 M C 2.150 178.372 176.300 -0.131 0.000 1.071 771 M CA 1.952 57.191 55.300 -0.101 0.000 1.096 771 M CB -0.064 32.485 32.600 -0.084 0.000 1.300 771 M HN 0.043 nan 8.290 nan 0.000 0.411 772 K N -1.106 119.176 120.400 -0.196 0.000 2.025 772 K HA -0.072 4.248 4.320 0.000 0.000 0.207 772 K C 1.984 178.315 176.600 -0.448 0.000 1.049 772 K CA 1.842 57.900 56.287 -0.383 0.000 0.933 772 K CB -0.976 31.214 32.500 -0.517 0.000 0.714 772 K HN 0.391 nan 8.250 nan 0.000 0.438 773 T N 1.985 116.354 114.554 -0.308 0.000 2.778 773 T HA -0.213 4.137 4.350 0.000 0.000 0.269 773 T C 1.906 176.499 174.700 -0.178 0.000 1.050 773 T CA 1.557 63.506 62.100 -0.252 0.000 1.137 773 T CB -0.032 68.741 68.868 -0.159 0.000 0.860 773 T HN 0.352 nan 8.240 nan 0.000 0.468 774 Q N 0.304 120.021 119.800 -0.139 0.000 2.016 774 Q HA -0.119 4.221 4.340 0.000 0.000 0.200 774 Q C 2.473 178.455 176.000 -0.029 0.000 0.978 774 Q CA 1.939 57.695 55.803 -0.078 0.000 0.833 774 Q CB -0.069 28.628 28.738 -0.069 0.000 0.895 774 Q HN 0.599 nan 8.270 nan 0.000 0.427 775 S N 0.492 116.191 115.700 -0.003 0.000 2.345 775 S HA -0.079 4.391 4.470 0.000 0.000 0.220 775 S C 1.644 176.389 174.600 0.243 0.000 1.031 775 S CA 0.963 59.228 58.200 0.109 0.000 0.996 775 S CB -0.476 62.814 63.200 0.150 0.000 0.882 775 S HN 0.339 nan 8.310 nan 0.000 0.445 776 F N 1.665 121.591 119.950 -0.041 0.000 2.451 776 F HA 0.136 4.663 4.527 0.000 0.000 0.299 776 F C 2.246 178.011 175.800 -0.059 0.000 1.101 776 F CA -0.912 57.060 58.000 -0.047 0.000 1.436 776 F CB -1.404 37.569 39.000 -0.045 0.000 1.074 776 F HN 0.042 nan 8.300 nan 0.000 0.553 777 V N 0.082 120.069 119.914 0.121 0.000 2.283 777 V HA -0.204 3.916 4.120 0.000 0.000 0.243 777 V C 2.662 178.762 176.094 0.009 0.000 1.039 777 V CA 1.587 63.908 62.300 0.035 0.000 1.016 777 V CB -1.189 30.629 31.823 -0.009 0.000 0.650 777 V HN 0.294 nan 8.190 nan 0.000 0.449 778 A N -0.468 122.359 122.820 0.012 0.000 1.948 778 A HA -0.302 4.018 4.320 0.000 0.000 0.220 778 A C 2.338 179.913 177.584 -0.016 0.000 1.177 778 A CA 2.314 54.346 52.037 -0.009 0.000 0.636 778 A CB -0.519 18.479 19.000 -0.004 0.000 0.815 778 A HN 0.488 nan 8.150 nan 0.000 0.449 779 K N -1.007 119.399 120.400 0.010 0.000 2.002 779 K HA -0.135 4.185 4.320 0.000 0.000 0.209 779 K C 2.088 178.655 176.600 -0.055 0.000 1.048 779 K CA 1.578 57.849 56.287 -0.025 0.000 0.930 779 K CB -0.274 32.199 32.500 -0.045 0.000 0.714 779 K HN 0.473 nan 8.250 nan 0.000 0.438 780 M N 1.134 120.704 119.600 -0.050 0.000 2.346 780 M HA -0.141 4.340 4.480 0.000 0.000 0.263 780 M C 1.398 177.627 176.300 -0.118 0.000 1.064 780 M CA 1.364 56.618 55.300 -0.078 0.000 1.083 780 M CB -0.192 32.368 32.600 -0.067 0.000 1.399 780 M HN 0.229 nan 8.290 nan 0.000 0.435 781 L N -0.931 120.215 121.223 -0.128 0.000 2.515 781 L HA 0.193 4.533 4.340 0.000 0.000 0.223 781 L C 1.086 177.831 176.870 -0.208 0.000 1.079 781 L CA 0.785 55.494 54.840 -0.218 0.000 0.857 781 L CB -0.087 41.859 42.059 -0.188 0.000 1.050 781 L HN 0.535 nan 8.230 nan 0.000 0.476 782 G N 1.579 110.304 108.800 -0.125 0.000 2.248 782 G HA2 -0.205 3.755 3.960 0.000 0.000 0.263 782 G HA3 -0.205 3.755 3.960 0.000 0.000 0.263 782 G C -0.132 174.724 174.900 -0.074 0.000 1.082 782 G CA 0.362 45.405 45.100 -0.093 0.000 0.863 782 G HN 0.329 nan 8.290 nan 0.000 0.495 783 V N -3.588 116.288 119.914 -0.063 0.000 3.078 783 V HA 0.956 5.076 4.120 0.000 0.000 0.311 783 V C -2.140 173.937 176.094 -0.029 0.000 1.138 783 V CA -2.490 59.785 62.300 -0.042 0.000 1.007 783 V CB 2.054 33.853 31.823 -0.040 0.000 1.045 783 V HN 0.147 nan 8.190 nan 0.000 0.432 784 P HA 0.076 nan 4.420 nan 0.000 0.263 784 P C 0.866 178.157 177.300 -0.015 0.000 1.175 784 P CA 0.804 63.895 63.100 -0.015 0.000 0.761 784 P CB 0.818 32.511 31.700 -0.011 0.000 0.794 785 A N 3.625 126.438 122.820 -0.013 0.000 2.186 785 A HA -0.208 4.112 4.320 0.000 0.000 0.219 785 A C 1.439 179.013 177.584 -0.018 0.000 1.159 785 A CA 1.624 53.653 52.037 -0.013 0.000 0.680 785 A CB -0.996 17.998 19.000 -0.011 0.000 0.787 785 A HN 0.708 nan 8.150 nan 0.000 0.467 786 N N -1.507 117.185 118.700 -0.015 0.000 2.230 786 N HA 0.018 4.758 4.740 0.000 0.000 0.202 786 N C 0.877 176.379 175.510 -0.013 0.000 1.119 786 N CA -0.027 53.015 53.050 -0.013 0.000 0.851 786 N CB -0.028 38.454 38.487 -0.009 0.000 0.990 786 N HN 0.363 nan 8.380 nan 0.000 0.497 787 R N -0.387 120.104 120.500 -0.015 0.000 2.335 787 R HA 0.272 4.612 4.340 0.000 0.000 0.210 787 R C -0.310 175.976 176.300 -0.023 0.000 0.892 787 R CA -0.293 55.798 56.100 -0.015 0.000 1.048 787 R CB 0.299 30.593 30.300 -0.009 0.000 1.067 787 R HN 0.149 nan 8.270 nan 0.000 0.524 788 I N 1.132 121.685 120.570 -0.029 0.000 2.353 788 I HA 0.186 4.356 4.170 0.000 0.000 0.293 788 I C -0.139 175.944 176.117 -0.056 0.000 0.992 788 I CA -1.399 59.875 61.300 -0.042 0.000 1.268 788 I CB 1.790 39.766 38.000 -0.041 0.000 1.387 788 I HN -0.337 nan 8.210 nan 0.000 0.478 789 V N 7.145 127.011 119.914 -0.081 0.000 2.531 789 V HA 0.508 4.628 4.120 0.000 0.000 0.301 789 V C -0.584 175.418 176.094 -0.153 0.000 1.034 789 V CA -0.724 61.515 62.300 -0.102 0.000 0.865 789 V CB 2.415 34.178 31.823 -0.100 0.000 0.995 789 V HN 0.372 nan 8.190 nan 0.000 0.424 790 V N 6.835 126.665 119.914 -0.139 0.000 2.448 790 V HA 0.659 4.779 4.120 0.000 0.000 0.295 790 V C -0.227 175.773 176.094 -0.156 0.000 1.025 790 V CA -0.665 61.538 62.300 -0.162 0.000 0.859 790 V CB 1.928 33.678 31.823 -0.122 0.000 0.988 790 V HN 0.924 nan 8.190 nan 0.000 0.431 791 R N 4.061 124.442 120.500 -0.198 0.000 2.686 791 R HA 0.843 5.183 4.340 0.000 0.000 0.286 791 R C -1.828 174.462 176.300 -0.017 0.000 0.969 791 R CA -0.791 55.249 56.100 -0.100 0.000 0.898 791 R CB 2.069 32.319 30.300 -0.082 0.000 1.183 791 R HN 0.323 nan 8.270 nan 0.000 0.456 792 V N 2.556 122.468 119.914 -0.002 0.000 2.376 792 V HA 0.269 4.389 4.120 0.000 0.000 0.287 792 V C 0.778 176.883 176.094 0.019 0.000 1.015 792 V CA -0.694 61.611 62.300 0.007 0.000 0.834 792 V CB 1.452 33.256 31.823 -0.031 0.000 1.001 792 V HN 0.889 nan 8.190 nan 0.000 0.428 793 K N 4.013 124.431 120.400 0.031 0.000 2.141 793 K HA 0.247 4.567 4.320 0.000 0.000 0.202 793 K C 0.754 177.338 176.600 -0.025 0.000 1.045 793 K CA 0.572 56.862 56.287 0.005 0.000 0.971 793 K CB 0.577 33.079 32.500 0.003 0.000 0.795 793 K HN 0.833 nan 8.250 nan 0.000 0.459 794 R N -1.135 119.328 120.500 -0.062 0.000 2.781 794 R HA 0.459 4.799 4.340 0.000 0.000 0.268 794 R C -1.207 175.054 176.300 -0.064 0.000 1.047 794 R CA -0.900 55.150 56.100 -0.084 0.000 0.925 794 R CB 1.074 31.259 30.300 -0.193 0.000 1.246 794 R HN -0.125 nan 8.270 nan 0.000 0.456 795 M N -0.193 119.382 119.600 -0.042 0.000 2.572 795 M HA 0.398 4.878 4.480 0.000 0.000 0.299 795 M C 0.289 176.625 176.300 0.060 0.000 1.205 795 M CA -0.808 54.475 55.300 -0.028 0.000 0.876 795 M CB 2.677 35.203 32.600 -0.123 0.000 1.728 795 M HN 0.989 nan 8.290 nan 0.000 0.458 796 G N 0.680 109.442 108.800 -0.063 0.000 3.379 796 G HA2 0.496 4.456 3.960 0.000 0.000 0.253 796 G HA3 0.496 4.456 3.960 0.000 0.000 0.253 796 G C 0.352 175.229 174.900 -0.038 0.000 1.262 796 G CA 0.337 45.364 45.100 -0.120 0.000 0.959 796 G HN 1.088 nan 8.290 nan 0.000 0.524 797 G N -2.241 106.524 108.800 -0.059 0.000 2.674 797 G HA2 0.393 4.353 3.960 0.000 0.000 0.686 797 G HA3 0.393 4.353 3.960 0.000 0.000 0.686 797 G C 0.437 175.315 174.900 -0.037 0.000 1.195 797 G CA -0.338 44.714 45.100 -0.080 0.000 0.776 797 G HN 1.030 nan 8.290 nan 0.000 0.654 798 G N -0.717 107.915 108.800 -0.281 0.000 2.571 798 G HA2 0.509 4.469 3.960 0.000 0.000 0.204 798 G HA3 0.509 4.469 3.960 0.000 0.000 0.204 798 G C 0.793 175.723 174.900 0.051 0.000 1.315 798 G CA 0.868 45.942 45.100 -0.043 0.000 0.593 798 G HN 1.663 nan 8.290 nan 0.000 1.002 799 F N 1.302 121.150 119.950 -0.170 0.000 3.019 799 F HA -0.175 4.352 4.527 0.000 0.000 0.259 799 F C 2.014 177.623 175.800 -0.319 0.000 0.976 799 F CA 0.991 58.843 58.000 -0.246 0.000 0.876 799 F CB -1.546 37.223 39.000 -0.384 0.000 0.784 799 F HN 0.871 nan 8.300 nan 0.000 0.786 800 G N -0.968 107.758 108.800 -0.123 0.000 2.458 800 G HA2 -0.329 3.631 3.960 0.000 0.000 0.237 800 G HA3 -0.329 3.631 3.960 0.000 0.000 0.237 800 G C 1.393 176.162 174.900 -0.218 0.000 1.113 800 G CA 0.342 45.351 45.100 -0.152 0.000 0.655 800 G HN 1.278 nan 8.290 nan 0.000 0.513 801 G N 0.659 109.088 108.800 -0.618 0.000 2.501 801 G HA2 0.044 4.004 3.960 0.000 0.000 0.220 801 G HA3 0.044 4.004 3.960 0.000 0.000 0.220 801 G C 1.252 176.044 174.900 -0.179 0.000 1.114 801 G CA 1.584 46.142 45.100 -0.903 0.000 0.757 801 G HN 0.720 nan 8.290 nan 0.000 0.559 802 K N 0.029 120.341 120.400 -0.146 0.000 2.478 802 K HA 0.256 4.576 4.320 0.000 0.000 0.205 802 K C 1.252 177.812 176.600 -0.067 0.000 1.033 802 K CA 0.023 56.261 56.287 -0.082 0.000 1.091 802 K CB 0.747 33.106 32.500 -0.235 0.000 0.844 802 K HN 0.343 nan 8.250 nan 0.000 0.507 803 E N 1.718 121.882 120.200 -0.060 0.000 2.204 803 E HA -0.163 4.187 4.350 0.000 0.000 0.195 803 E C 0.997 177.584 176.600 -0.022 0.000 0.990 803 E CA 1.977 58.355 56.400 -0.037 0.000 0.821 803 E CB 0.301 29.980 29.700 -0.036 0.000 0.750 803 E HN 0.378 nan 8.360 nan 0.000 0.477 804 T N -3.342 111.211 114.554 -0.002 0.000 3.336 804 T HA 0.218 4.568 4.350 0.000 0.000 0.273 804 T C 1.697 176.404 174.700 0.012 0.000 0.932 804 T CA -0.561 61.540 62.100 0.001 0.000 0.995 804 T CB -0.162 68.737 68.868 0.051 0.000 1.213 804 T HN -0.100 nan 8.240 nan 0.000 0.502 805 R N 2.362 122.895 120.500 0.055 0.000 2.127 805 R HA 0.174 4.514 4.340 0.000 0.000 0.217 805 R C 2.868 179.167 176.300 -0.002 0.000 1.074 805 R CA 1.342 57.468 56.100 0.043 0.000 0.991 805 R CB -1.171 29.161 30.300 0.054 0.000 0.895 805 R HN 0.663 nan 8.270 nan 0.000 0.450 806 S N 0.983 116.770 115.700 0.144 0.000 2.465 806 S HA -0.309 4.161 4.470 0.000 0.000 0.263 806 S C 2.120 176.729 174.600 0.016 0.000 1.135 806 S CA 2.739 61.035 58.200 0.160 0.000 1.118 806 S CB -1.019 62.245 63.200 0.106 0.000 0.994 806 S HN 0.569 nan 8.310 nan 0.000 0.455 807 T N 0.906 115.442 114.554 -0.031 0.000 2.803 807 T HA -0.119 4.231 4.350 0.000 0.000 0.269 807 T C 1.951 176.642 174.700 -0.014 0.000 1.052 807 T CA 1.980 64.052 62.100 -0.048 0.000 1.136 807 T CB -1.458 67.352 68.868 -0.097 0.000 0.864 807 T HN 0.980 nan 8.240 nan 0.000 0.467 808 V N 0.359 120.260 119.914 -0.021 0.000 2.380 808 V HA -0.121 3.999 4.120 0.000 0.000 0.251 808 V C 2.614 178.678 176.094 -0.050 0.000 1.063 808 V CA 1.684 63.962 62.300 -0.036 0.000 1.055 808 V CB -1.545 30.254 31.823 -0.039 0.000 0.657 808 V HN 0.418 nan 8.190 nan 0.000 0.455 809 V N 1.288 121.171 119.914 -0.052 0.000 2.255 809 V HA -0.192 3.928 4.120 0.000 0.000 0.243 809 V C 2.882 178.971 176.094 -0.008 0.000 1.038 809 V CA 2.377 64.663 62.300 -0.023 0.000 1.008 809 V CB -0.869 30.946 31.823 -0.013 0.000 0.645 809 V HN 0.653 nan 8.190 nan 0.000 0.449 810 S N -0.503 115.194 115.700 -0.006 0.000 2.374 810 S HA -0.306 4.164 4.470 0.000 0.000 0.227 810 S C 2.075 176.668 174.600 -0.011 0.000 1.037 810 S CA 2.143 60.340 58.200 -0.004 0.000 1.024 810 S CB -0.725 62.463 63.200 -0.020 0.000 0.861 810 S HN 0.664 nan 8.310 nan 0.000 0.456 811 T N 2.006 116.544 114.554 -0.027 0.000 2.607 811 T HA -0.169 4.181 4.350 0.000 0.000 0.267 811 T C 1.985 176.644 174.700 -0.068 0.000 1.049 811 T CA 1.795 63.867 62.100 -0.047 0.000 1.162 811 T CB -0.703 68.132 68.868 -0.056 0.000 0.863 811 T HN 0.459 nan 8.240 nan 0.000 0.424 812 A N 0.814 123.584 122.820 -0.083 0.000 1.851 812 A HA -0.078 4.243 4.320 0.000 0.000 0.216 812 A C 2.577 180.201 177.584 0.066 0.000 1.195 812 A CA 2.389 54.416 52.037 -0.017 0.000 0.622 812 A CB -1.316 17.714 19.000 0.050 0.000 0.831 812 A HN 0.462 nan 8.150 nan 0.000 0.444 813 V N 0.179 120.124 119.914 0.051 0.000 2.250 813 V HA -0.385 3.735 4.120 0.000 0.000 0.253 813 V C 3.013 179.141 176.094 0.058 0.000 1.065 813 V CA 2.528 64.861 62.300 0.054 0.000 1.039 813 V CB -1.792 30.059 31.823 0.047 0.000 0.647 813 V HN 0.691 nan 8.190 nan 0.000 0.446 814 A N -0.011 122.835 122.820 0.043 0.000 1.884 814 A HA -0.298 4.023 4.320 0.000 0.000 0.219 814 A C 2.238 179.875 177.584 0.088 0.000 1.197 814 A CA 2.630 54.694 52.037 0.046 0.000 0.637 814 A CB -0.758 18.251 19.000 0.015 0.000 0.827 814 A HN 0.521 nan 8.150 nan 0.000 0.450 815 L N -0.610 120.670 121.223 0.094 0.000 2.046 815 L HA -0.067 4.273 4.340 0.000 0.000 0.208 815 L C 2.709 179.692 176.870 0.188 0.000 1.077 815 L CA 2.228 57.164 54.840 0.160 0.000 0.747 815 L CB -0.606 41.538 42.059 0.143 0.000 0.896 815 L HN 0.371 nan 8.230 nan 0.000 0.432 816 A N -0.527 122.361 122.820 0.113 0.000 1.902 816 A HA -0.098 4.222 4.320 0.000 0.000 0.217 816 A C 2.454 180.066 177.584 0.046 0.000 1.181 816 A CA 1.753 53.825 52.037 0.058 0.000 0.623 816 A CB -1.174 17.845 19.000 0.031 0.000 0.818 816 A HN 0.568 nan 8.150 nan 0.000 0.443 817 A N -1.093 121.766 122.820 0.065 0.000 1.877 817 A HA -0.130 4.190 4.320 0.000 0.000 0.216 817 A C 2.150 179.769 177.584 0.060 0.000 1.186 817 A CA 1.774 53.843 52.037 0.052 0.000 0.620 817 A CB -1.012 18.026 19.000 0.063 0.000 0.822 817 A HN 0.846 nan 8.150 nan 0.000 0.443 818 Y N 0.792 121.090 120.300 -0.003 0.000 2.114 818 Y HA -0.299 4.251 4.550 0.000 0.000 0.282 818 Y C 2.286 178.183 175.900 -0.006 0.000 1.165 818 Y CA 2.626 60.724 58.100 -0.004 0.000 1.148 818 Y CB -0.465 37.995 38.460 0.000 0.000 0.972 818 Y HN 0.263 nan 8.280 nan 0.000 0.504 819 K N -0.174 120.129 120.400 -0.162 0.000 1.978 819 K HA -0.149 4.171 4.320 0.000 0.000 0.214 819 K C 2.122 178.580 176.600 -0.237 0.000 1.049 819 K CA 2.651 58.772 56.287 -0.276 0.000 0.939 819 K CB -0.771 31.696 32.500 -0.055 0.000 0.721 819 K HN 0.546 nan 8.250 nan 0.000 0.441 820 T N -3.181 111.297 114.554 -0.127 0.000 3.067 820 T HA 0.168 4.518 4.350 0.000 0.000 0.261 820 T C 1.353 175.996 174.700 -0.096 0.000 1.110 820 T CA 0.519 62.561 62.100 -0.097 0.000 1.113 820 T CB -0.082 68.748 68.868 -0.064 0.000 0.917 820 T HN 0.412 nan 8.240 nan 0.000 0.499 821 G N 2.418 111.156 108.800 -0.104 0.000 2.143 821 G HA2 -0.278 3.683 3.960 0.000 0.000 0.248 821 G HA3 -0.278 3.683 3.960 0.000 0.000 0.248 821 G C 0.028 174.889 174.900 -0.065 0.000 0.991 821 G CA 0.184 45.231 45.100 -0.087 0.000 0.689 821 G HN 1.003 nan 8.290 nan 0.000 0.522 822 R N -1.377 119.091 120.500 -0.054 0.000 2.680 822 R HA 0.704 5.045 4.340 0.000 0.000 0.269 822 R C -3.140 173.138 176.300 -0.036 0.000 1.026 822 R CA -2.078 53.985 56.100 -0.061 0.000 0.889 822 R CB 1.138 31.404 30.300 -0.057 0.000 1.241 822 R HN 0.035 nan 8.270 nan 0.000 0.463 823 P HA 0.019 nan 4.420 nan 0.000 0.266 823 P C -0.665 176.659 177.300 0.040 0.000 1.195 823 P CA -0.217 62.891 63.100 0.012 0.000 0.768 823 P CB 0.751 32.464 31.700 0.021 0.000 0.838 824 V N 3.513 123.464 119.914 0.062 0.000 2.888 824 V HA 0.565 4.685 4.120 0.000 0.000 0.309 824 V C 0.308 176.446 176.094 0.074 0.000 1.114 824 V CA -0.704 61.629 62.300 0.056 0.000 0.940 824 V CB 2.270 34.118 31.823 0.043 0.000 1.021 824 V HN 0.701 nan 8.190 nan 0.000 0.426 825 R N 2.569 123.107 120.500 0.063 0.000 2.867 825 R HA 0.959 5.299 4.340 0.000 0.000 0.268 825 R C -1.298 175.031 176.300 0.048 0.000 1.014 825 R CA -0.485 55.654 56.100 0.064 0.000 0.946 825 R CB 2.005 32.343 30.300 0.063 0.000 1.208 825 R HN 0.843 nan 8.270 nan 0.000 0.477 826 C N 2.910 122.239 119.300 0.048 0.000 3.239 826 C HA 0.730 5.190 4.460 0.000 0.000 0.329 826 C C -1.537 173.477 174.990 0.040 0.000 1.252 826 C CA -0.658 58.384 59.018 0.041 0.000 1.323 826 C CB 1.754 29.519 27.740 0.042 0.000 1.663 826 C HN 1.042 nan 8.230 nan 0.000 0.487 827 M N 5.621 125.242 119.600 0.035 0.000 2.322 827 M HA 0.483 4.963 4.480 0.000 0.000 0.285 827 M C -1.756 174.563 176.300 0.031 0.000 1.119 827 M CA -0.543 54.776 55.300 0.032 0.000 0.953 827 M CB 1.633 34.248 32.600 0.025 0.000 1.701 827 M HN 0.811 nan 8.290 nan 0.000 0.479 828 L N 3.560 124.805 121.223 0.036 0.000 2.439 828 L HA 0.272 4.612 4.340 0.000 0.000 0.269 828 L C 0.197 177.082 176.870 0.025 0.000 1.179 828 L CA -0.324 54.535 54.840 0.031 0.000 0.828 828 L CB 0.304 42.387 42.059 0.039 0.000 1.106 828 L HN 0.637 nan 8.230 nan 0.000 0.467 829 D N 0.745 121.150 120.400 0.008 0.000 2.348 829 D HA 0.094 4.734 4.640 0.000 0.000 0.249 829 D C 0.855 177.158 176.300 0.005 0.000 1.110 829 D CA -0.410 53.592 54.000 0.003 0.000 0.967 829 D CB 1.391 42.159 40.800 -0.053 0.000 1.139 829 D HN 0.398 nan 8.370 nan 0.000 0.466 830 R N 1.057 121.574 120.500 0.030 0.000 2.083 830 R HA -0.174 4.167 4.340 0.000 0.000 0.237 830 R C 1.660 177.959 176.300 -0.002 0.000 1.137 830 R CA 1.982 58.086 56.100 0.008 0.000 0.951 830 R CB -0.127 30.181 30.300 0.014 0.000 0.851 830 R HN 0.585 nan 8.270 nan 0.000 0.434 831 D N -0.037 120.374 120.400 0.018 0.000 2.182 831 D HA -0.232 4.408 4.640 0.000 0.000 0.201 831 D C 1.010 177.299 176.300 -0.019 0.000 0.986 831 D CA 1.629 55.632 54.000 0.005 0.000 0.847 831 D CB -0.093 40.692 40.800 -0.025 0.000 0.942 831 D HN 0.557 nan 8.370 nan 0.000 0.467 832 E N 0.635 120.817 120.200 -0.030 0.000 2.072 832 E HA -0.132 4.218 4.350 0.000 0.000 0.190 832 E C 2.068 178.669 176.600 0.002 0.000 0.982 832 E CA 0.901 57.293 56.400 -0.013 0.000 0.803 832 E CB -0.164 29.530 29.700 -0.010 0.000 0.755 832 E HN 0.392 nan 8.360 nan 0.000 0.453 833 D N 1.082 121.488 120.400 0.010 0.000 2.104 833 D HA -0.188 4.452 4.640 0.000 0.000 0.194 833 D C 1.985 178.301 176.300 0.027 0.000 0.994 833 D CA 1.118 55.141 54.000 0.038 0.000 0.830 833 D CB 0.027 40.886 40.800 0.099 0.000 0.959 833 D HN 0.158 nan 8.370 nan 0.000 0.452 834 M N -0.117 119.476 119.600 -0.011 0.000 2.374 834 M HA -0.135 4.345 4.480 0.000 0.000 0.264 834 M C 2.069 178.362 176.300 -0.012 0.000 1.067 834 M CA 0.410 55.687 55.300 -0.039 0.000 1.103 834 M CB 0.046 32.595 32.600 -0.085 0.000 1.402 834 M HN 0.107 nan 8.290 nan 0.000 0.444 835 L N 0.720 121.946 121.223 0.004 0.000 1.971 835 L HA -0.106 4.234 4.340 0.000 0.000 0.208 835 L C 2.075 178.967 176.870 0.037 0.000 1.083 835 L CA 1.802 56.655 54.840 0.022 0.000 0.753 835 L CB -0.685 41.388 42.059 0.023 0.000 0.893 835 L HN 0.172 nan 8.230 nan 0.000 0.436 836 I N -0.459 120.127 120.570 0.027 0.000 2.127 836 I HA -0.335 3.835 4.170 0.000 0.000 0.241 836 I C 2.517 178.641 176.117 0.012 0.000 1.075 836 I CA 2.192 63.506 61.300 0.023 0.000 1.334 836 I CB -1.223 36.778 38.000 0.001 0.000 1.040 836 I HN 0.542 nan 8.210 nan 0.000 0.405 837 T N -0.618 113.937 114.554 0.001 0.000 2.904 837 T HA 0.145 4.495 4.350 0.000 0.000 0.267 837 T C 1.176 175.924 174.700 0.080 0.000 1.059 837 T CA 0.910 63.018 62.100 0.013 0.000 1.137 837 T CB -0.450 68.411 68.868 -0.011 0.000 0.879 837 T HN 0.668 nan 8.240 nan 0.000 0.467 838 G N -0.117 108.734 108.800 0.086 0.000 2.877 838 G HA2 0.229 4.189 3.960 0.000 0.000 0.279 838 G HA3 0.229 4.189 3.960 0.000 0.000 0.279 838 G C 0.113 175.089 174.900 0.126 0.000 1.431 838 G CA -0.446 44.709 45.100 0.091 0.000 0.883 838 G HN 1.045 nan 8.290 nan 0.000 0.547 839 G N -1.061 107.790 108.800 0.085 0.000 2.613 839 G HA2 0.673 4.633 3.960 0.000 0.000 0.303 839 G HA3 0.673 4.633 3.960 0.000 0.000 0.303 839 G C 0.330 175.289 174.900 0.097 0.000 1.312 839 G CA 0.004 45.133 45.100 0.049 0.000 1.036 839 G HN 0.806 nan 8.290 nan 0.000 0.513 840 R N -0.672 119.857 120.500 0.048 0.000 2.643 840 R HA 0.086 4.426 4.340 0.000 0.000 0.270 840 R C -0.517 175.845 176.300 0.103 0.000 1.061 840 R CA -0.387 55.760 56.100 0.078 0.000 1.107 840 R CB 0.067 30.232 30.300 -0.224 0.000 0.999 840 R HN 0.578 nan 8.270 nan 0.000 0.460 841 H N 4.137 123.205 119.070 -0.003 0.000 2.929 841 H HA 0.132 4.688 4.556 0.000 0.000 0.317 841 H C -1.895 173.425 175.328 -0.013 0.000 1.031 841 H CA -1.225 54.793 56.048 -0.050 0.000 1.466 841 H CB 0.461 30.147 29.762 -0.127 0.000 1.482 841 H HN 0.437 nan 8.280 nan 0.000 0.561 842 P HA 0.254 nan 4.420 nan 0.000 0.278 842 P C -0.918 176.496 177.300 0.190 0.000 1.258 842 P CA -0.399 62.787 63.100 0.144 0.000 0.811 842 P CB 1.059 32.852 31.700 0.156 0.000 1.063 843 F N -0.341 119.744 119.950 0.225 0.000 2.565 843 F HA 0.405 4.932 4.527 0.000 0.000 0.313 843 F C -0.407 175.639 175.800 0.411 0.000 1.091 843 F CA -1.008 57.166 58.000 0.291 0.000 0.915 843 F CB 1.797 40.936 39.000 0.233 0.000 1.208 843 F HN 0.036 nan 8.300 nan 0.000 0.453 844 L N 3.147 124.693 121.223 0.539 0.000 2.272 844 L HA 0.801 5.141 4.340 0.000 0.000 0.289 844 L C -0.541 176.620 176.870 0.485 0.000 1.032 844 L CA -0.563 54.511 54.840 0.391 0.000 0.810 844 L CB 0.567 42.654 42.059 0.046 0.000 1.205 844 L HN 0.648 nan 8.230 nan 0.000 0.422 845 A N 6.136 129.194 122.820 0.396 0.000 2.365 845 A HA 0.885 5.205 4.320 0.000 0.000 0.318 845 A C -0.627 177.149 177.584 0.319 0.000 1.091 845 A CA -0.771 51.473 52.037 0.346 0.000 0.763 845 A CB 1.186 20.325 19.000 0.232 0.000 1.248 845 A HN 0.678 nan 8.150 nan 0.000 0.442 846 R N 0.865 121.544 120.500 0.299 0.000 2.589 846 R HA 0.632 4.972 4.340 0.000 0.000 0.293 846 R C -1.325 175.178 176.300 0.338 0.000 0.963 846 R CA -0.431 55.839 56.100 0.283 0.000 0.905 846 R CB 1.512 31.919 30.300 0.178 0.000 1.144 846 R HN 0.854 nan 8.270 nan 0.000 0.459 847 Y N -1.345 119.015 120.300 0.099 0.000 2.669 847 Y HA 0.681 5.231 4.550 0.000 0.000 0.335 847 Y C -0.992 174.945 175.900 0.063 0.000 1.116 847 Y CA -1.349 56.814 58.100 0.104 0.000 1.081 847 Y CB 2.259 40.842 38.460 0.205 0.000 1.297 847 Y HN 0.370 nan 8.280 nan 0.000 0.484 848 K N 1.814 122.300 120.400 0.143 0.000 2.588 848 K HA 0.607 4.928 4.320 0.000 0.000 0.250 848 K C -2.622 174.082 176.600 0.173 0.000 0.972 848 K CA -0.734 55.582 56.287 0.049 0.000 0.821 848 K CB 2.729 35.216 32.500 -0.022 0.000 1.249 848 K HN 0.760 nan 8.250 nan 0.000 0.442 849 V N 3.266 123.243 119.914 0.105 0.000 2.569 849 V HA 0.683 4.803 4.120 0.000 0.000 0.301 849 V C -0.507 175.662 176.094 0.125 0.000 1.044 849 V CA -0.247 62.027 62.300 -0.044 0.000 0.874 849 V CB 1.589 33.070 31.823 -0.570 0.000 1.002 849 V HN 0.842 nan 8.190 nan 0.000 0.424 850 G N 6.135 114.957 108.800 0.038 0.000 2.348 850 G HA2 0.747 4.707 3.960 0.000 0.000 0.312 850 G HA3 0.747 4.707 3.960 0.000 0.000 0.312 850 G C -1.061 173.911 174.900 0.120 0.000 1.126 850 G CA -0.493 44.648 45.100 0.069 0.000 0.865 850 G HN 1.136 nan 8.290 nan 0.000 0.474 851 F N 0.518 120.373 119.950 -0.159 0.000 2.641 851 F HA 0.652 5.179 4.527 0.000 0.000 0.308 851 F C -0.419 175.318 175.800 -0.106 0.000 1.105 851 F CA -1.908 56.000 58.000 -0.154 0.000 0.964 851 F CB 1.275 40.176 39.000 -0.166 0.000 1.294 851 F HN 0.234 nan 8.300 nan 0.000 0.442 852 M N 2.375 121.951 119.600 -0.040 0.000 2.167 852 M HA 0.197 4.677 4.480 0.000 0.000 0.300 852 M C 1.033 177.298 176.300 -0.058 0.000 1.171 852 M CA -0.186 55.058 55.300 -0.093 0.000 1.171 852 M CB 0.591 33.161 32.600 -0.050 0.000 1.396 852 M HN 0.880 nan 8.290 nan 0.000 0.466 853 K N -0.981 119.375 120.400 -0.072 0.000 2.404 853 K HA 0.081 4.401 4.320 0.000 0.000 0.194 853 K C 1.092 177.699 176.600 0.012 0.000 1.023 853 K CA 0.711 56.979 56.287 -0.031 0.000 1.094 853 K CB -0.574 31.891 32.500 -0.058 0.000 0.841 853 K HN 0.714 nan 8.250 nan 0.000 0.523 854 T N -1.060 113.499 114.554 0.009 0.000 2.867 854 T HA 0.056 4.406 4.350 0.000 0.000 0.268 854 T C 1.695 176.416 174.700 0.035 0.000 1.057 854 T CA 1.043 63.152 62.100 0.015 0.000 1.136 854 T CB -0.172 68.695 68.868 -0.001 0.000 0.874 854 T HN 0.488 nan 8.240 nan 0.000 0.466 855 G N 0.733 109.573 108.800 0.066 0.000 2.229 855 G HA2 -0.177 3.783 3.960 0.000 0.000 0.189 855 G HA3 -0.177 3.783 3.960 0.000 0.000 0.189 855 G C 0.217 175.138 174.900 0.036 0.000 1.000 855 G CA -0.178 44.972 45.100 0.082 0.000 0.663 855 G HN 0.614 nan 8.290 nan 0.000 0.493 856 T N 1.908 116.473 114.554 0.017 0.000 2.765 856 T HA 0.389 4.739 4.350 0.000 0.000 0.284 856 T C 0.736 175.431 174.700 -0.008 0.000 0.946 856 T CA 0.639 62.728 62.100 -0.018 0.000 1.185 856 T CB 1.871 70.721 68.868 -0.031 0.000 0.887 856 T HN 1.215 nan 8.240 nan 0.000 0.532 857 V N 4.562 124.444 119.914 -0.053 0.000 2.775 857 V HA 0.366 4.486 4.120 0.000 0.000 0.299 857 V C 0.509 176.545 176.094 -0.096 0.000 1.062 857 V CA 0.177 62.432 62.300 -0.075 0.000 1.063 857 V CB 1.462 33.176 31.823 -0.181 0.000 0.994 857 V HN 0.725 nan 8.190 nan 0.000 0.483 858 V N 4.679 124.514 119.914 -0.131 0.000 3.294 858 V HA 0.672 4.792 4.120 0.000 0.000 0.255 858 V C 0.457 176.406 176.094 -0.242 0.000 1.528 858 V CA 0.711 62.915 62.300 -0.160 0.000 1.086 858 V CB 0.700 32.434 31.823 -0.148 0.000 0.906 858 V HN 1.254 nan 8.190 nan 0.000 0.433 859 A N 0.561 123.166 122.820 -0.358 0.000 2.574 859 A HA 0.843 5.163 4.320 0.000 0.000 0.297 859 A C -2.048 175.316 177.584 -0.367 0.000 1.062 859 A CA -0.373 51.384 52.037 -0.467 0.000 0.686 859 A CB 2.177 20.648 19.000 -0.881 0.000 1.285 859 A HN 0.536 nan 8.150 nan 0.000 0.403 860 L N 0.134 121.295 121.223 -0.102 0.000 2.513 860 L HA 0.777 5.118 4.340 0.000 0.000 0.261 860 L C -1.067 175.928 176.870 0.207 0.000 0.945 860 L CA 0.002 54.891 54.840 0.081 0.000 0.848 860 L CB 2.074 44.187 42.059 0.090 0.000 1.334 860 L HN 0.817 nan 8.230 nan 0.000 0.407 861 E N 3.914 124.276 120.200 0.271 0.000 2.241 861 E HA 0.708 5.058 4.350 0.000 0.000 0.263 861 E C -1.989 174.725 176.600 0.191 0.000 0.882 861 E CA -0.658 55.875 56.400 0.221 0.000 0.769 861 E CB 2.071 31.898 29.700 0.211 0.000 1.185 861 E HN 0.600 nan 8.360 nan 0.000 0.415 862 V N 3.792 123.784 119.914 0.130 0.000 2.623 862 V HA 0.297 4.417 4.120 0.000 0.000 0.304 862 V C -0.912 175.085 176.094 -0.161 0.000 1.054 862 V CA -1.067 61.254 62.300 0.035 0.000 0.882 862 V CB 2.038 33.864 31.823 0.004 0.000 1.002 862 V HN 0.659 nan 8.190 nan 0.000 0.424 863 D N 3.174 123.480 120.400 -0.156 0.000 2.280 863 D HA 0.421 5.061 4.640 0.000 0.000 0.236 863 D C -0.454 175.691 176.300 -0.258 0.000 1.082 863 D CA -0.198 53.686 54.000 -0.194 0.000 0.834 863 D CB 0.976 41.773 40.800 -0.005 0.000 1.100 863 D HN 0.533 nan 8.370 nan 0.000 0.486 864 H N 2.142 121.154 119.070 -0.097 0.000 2.472 864 H HA 0.414 4.970 4.556 0.000 0.000 0.338 864 H C -0.540 174.634 175.328 -0.257 0.000 1.133 864 H CA -0.504 55.598 56.048 0.089 0.000 1.216 864 H CB 1.239 31.105 29.762 0.173 0.000 1.497 864 H HN 0.234 nan 8.280 nan 0.000 0.500 865 F N -0.917 119.239 119.950 0.343 0.000 2.941 865 F HA 0.140 4.667 4.527 0.000 0.000 0.359 865 F C 0.677 176.508 175.800 0.051 0.000 1.231 865 F CA -1.389 56.697 58.000 0.144 0.000 1.089 865 F CB 0.304 39.332 39.000 0.046 0.000 1.407 865 F HN 0.370 nan 8.300 nan 0.000 0.538 866 S N 3.092 118.675 115.700 -0.196 0.000 4.454 866 S HA -0.249 4.221 4.470 0.000 0.000 0.400 866 S C 0.376 174.906 174.600 -0.117 0.000 0.563 866 S CA 0.392 58.324 58.200 -0.447 0.000 1.318 866 S CB -0.774 62.205 63.200 -0.369 0.000 1.958 866 S HN 0.692 nan 8.310 nan 0.000 0.349 867 N N 4.267 122.896 118.700 -0.118 0.000 2.458 867 N HA 0.168 4.908 4.740 0.000 0.000 0.270 867 N C 0.797 176.170 175.510 -0.229 0.000 1.102 867 N CA -0.244 52.749 53.050 -0.096 0.000 0.967 867 N CB 1.333 39.770 38.487 -0.082 0.000 1.078 867 N HN 0.269 nan 8.380 nan 0.000 0.471 868 V N 2.933 122.743 119.914 -0.173 0.000 2.685 868 V HA 0.276 4.396 4.120 0.000 0.000 0.244 868 V C 1.410 177.327 176.094 -0.295 0.000 1.054 868 V CA 1.301 63.418 62.300 -0.305 0.000 1.076 868 V CB -1.187 30.491 31.823 -0.242 0.000 0.725 868 V HN 1.026 nan 8.190 nan 0.000 0.467 869 G N 1.560 110.274 108.800 -0.143 0.000 2.568 869 G HA2 -0.249 3.711 3.960 0.000 0.000 0.222 869 G HA3 -0.249 3.711 3.960 0.000 0.000 0.222 869 G C 0.112 175.028 174.900 0.027 0.000 1.321 869 G CA 0.132 45.189 45.100 -0.072 0.000 0.893 869 G HN 0.639 nan 8.290 nan 0.000 0.569 870 N N 0.193 118.899 118.700 0.010 0.000 2.273 870 N HA 0.383 5.124 4.740 0.000 0.000 0.231 870 N C 0.297 175.846 175.510 0.065 0.000 1.134 870 N CA 1.132 54.212 53.050 0.050 0.000 0.856 870 N CB 0.791 39.250 38.487 -0.046 0.000 1.068 870 N HN 1.476 nan 8.380 nan 0.000 0.510 871 T N -2.359 112.242 114.554 0.078 0.000 2.957 871 T HA 0.129 4.479 4.350 0.000 0.000 0.336 871 T C 0.357 174.998 174.700 -0.099 0.000 1.462 871 T CA -0.512 61.632 62.100 0.073 0.000 1.073 871 T CB 1.833 70.713 68.868 0.020 0.000 1.319 871 T HN 0.047 nan 8.240 nan 0.000 0.485 872 Q N 2.292 122.047 119.800 -0.075 0.000 1.967 872 Q HA 0.037 4.377 4.340 0.000 0.000 0.202 872 Q C 0.820 176.724 176.000 -0.159 0.000 0.985 872 Q CA 2.354 57.961 55.803 -0.327 0.000 0.839 872 Q CB -0.452 28.249 28.738 -0.061 0.000 0.906 872 Q HN 0.983 nan 8.270 nan 0.000 0.423 873 D N -2.059 118.328 120.400 -0.022 0.000 3.565 873 D HA -0.296 4.344 4.640 0.000 0.000 0.257 873 D C 0.457 176.791 176.300 0.057 0.000 1.938 873 D CA 1.540 55.565 54.000 0.042 0.000 1.130 873 D CB -0.947 39.886 40.800 0.056 0.000 0.859 873 D HN 0.241 nan 8.370 nan 0.000 1.039 874 L N -0.115 121.173 121.223 0.107 0.000 2.671 874 L HA -0.156 4.184 4.340 0.000 0.000 0.236 874 L C 2.208 179.150 176.870 0.121 0.000 1.178 874 L CA 1.242 56.172 54.840 0.150 0.000 0.829 874 L CB -0.694 41.498 42.059 0.222 0.000 0.956 874 L HN 0.254 nan 8.230 nan 0.000 0.455 875 S N -0.733 115.008 115.700 0.068 0.000 2.419 875 S HA -0.248 4.222 4.470 0.000 0.000 0.235 875 S C 1.881 176.473 174.600 -0.014 0.000 1.019 875 S CA 1.108 59.344 58.200 0.060 0.000 0.982 875 S CB -0.124 63.142 63.200 0.112 0.000 0.789 875 S HN 0.528 nan 8.310 nan 0.000 0.490 876 Q N 1.088 120.875 119.800 -0.021 0.000 2.016 876 Q HA -0.077 4.263 4.340 0.000 0.000 0.200 876 Q C 2.097 178.052 176.000 -0.075 0.000 0.978 876 Q CA 1.492 57.261 55.803 -0.057 0.000 0.833 876 Q CB -0.160 28.542 28.738 -0.060 0.000 0.895 876 Q HN 0.519 nan 8.270 nan 0.000 0.427 877 S N 0.911 116.585 115.700 -0.044 0.000 2.419 877 S HA -0.139 4.331 4.470 0.000 0.000 0.235 877 S C 1.887 176.387 174.600 -0.167 0.000 1.019 877 S CA 1.014 59.147 58.200 -0.111 0.000 0.982 877 S CB -0.263 62.876 63.200 -0.102 0.000 0.789 877 S HN 0.356 nan 8.310 nan 0.000 0.490 878 I N 0.675 121.235 120.570 -0.016 0.000 2.163 878 I HA -0.169 4.001 4.170 0.000 0.000 0.240 878 I C 2.537 178.659 176.117 0.008 0.000 1.081 878 I CA 0.952 62.279 61.300 0.044 0.000 1.353 878 I CB -0.392 37.639 38.000 0.051 0.000 1.054 878 I HN 0.275 nan 8.210 nan 0.000 0.407 879 M N 1.062 120.658 119.600 -0.007 0.000 2.106 879 M HA -0.233 4.247 4.480 0.000 0.000 0.259 879 M C 2.161 178.419 176.300 -0.070 0.000 1.068 879 M CA 1.816 57.127 55.300 0.019 0.000 1.100 879 M CB -0.906 31.679 32.600 -0.025 0.000 1.351 879 M HN 0.223 nan 8.290 nan 0.000 0.404 880 E N -1.084 119.039 120.200 -0.127 0.000 2.031 880 E HA -0.259 4.091 4.350 0.000 0.000 0.193 880 E C 2.129 178.626 176.600 -0.171 0.000 0.994 880 E CA 1.480 57.768 56.400 -0.187 0.000 0.800 880 E CB -0.488 29.134 29.700 -0.131 0.000 0.752 880 E HN 0.524 nan 8.360 nan 0.000 0.447 881 R N 1.126 121.608 120.500 -0.030 0.000 2.127 881 R HA -0.151 4.189 4.340 0.000 0.000 0.238 881 R C 2.243 178.606 176.300 0.106 0.000 1.134 881 R CA 1.233 57.411 56.100 0.130 0.000 0.975 881 R CB -0.209 30.048 30.300 -0.072 0.000 0.865 881 R HN 0.157 nan 8.270 nan 0.000 0.447 882 A N 1.283 124.085 122.820 -0.031 0.000 1.883 882 A HA -0.162 4.158 4.320 0.000 0.000 0.217 882 A C 2.179 179.675 177.584 -0.147 0.000 1.186 882 A CA 1.502 53.453 52.037 -0.143 0.000 0.624 882 A CB -0.597 18.259 19.000 -0.239 0.000 0.822 882 A HN 0.362 nan 8.150 nan 0.000 0.444 883 L N -1.924 119.191 121.223 -0.181 0.000 1.994 883 L HA -0.155 4.185 4.340 0.000 0.000 0.208 883 L C 2.409 179.273 176.870 -0.010 0.000 1.071 883 L CA 1.420 56.174 54.840 -0.143 0.000 0.745 883 L CB -0.744 41.214 42.059 -0.169 0.000 0.892 883 L HN 0.424 nan 8.230 nan 0.000 0.431 884 F N -0.706 119.218 119.950 -0.043 0.000 2.354 884 F HA -0.273 4.254 4.527 0.000 0.000 0.300 884 F C 1.731 177.385 175.800 -0.243 0.000 1.052 884 F CA 0.978 58.852 58.000 -0.210 0.000 1.425 884 F CB -0.393 38.354 39.000 -0.422 0.000 1.095 884 F HN 0.269 nan 8.300 nan 0.000 0.560 885 H N -1.501 117.692 119.070 0.204 0.000 3.058 885 H HA 0.132 4.688 4.556 0.000 0.000 0.266 885 H C 1.910 177.227 175.328 -0.017 0.000 1.135 885 H CA 0.034 56.118 56.048 0.061 0.000 1.174 885 H CB 0.034 29.725 29.762 -0.117 0.000 1.581 885 H HN 0.216 nan 8.280 nan 0.000 0.553 886 M N 0.188 119.812 119.600 0.041 0.000 2.358 886 M HA -0.093 4.387 4.480 0.000 0.000 0.264 886 M C 0.836 177.087 176.300 -0.082 0.000 1.064 886 M CA 1.664 56.933 55.300 -0.051 0.000 1.093 886 M CB -0.046 32.550 32.600 -0.008 0.000 1.401 886 M HN 0.125 nan 8.290 nan 0.000 0.440 887 D N -0.340 120.049 120.400 -0.018 0.000 2.317 887 D HA -0.094 4.546 4.640 0.000 0.000 0.211 887 D C 0.933 177.299 176.300 0.110 0.000 0.966 887 D CA 0.578 54.632 54.000 0.091 0.000 0.876 887 D CB -0.549 40.416 40.800 0.275 0.000 0.927 887 D HN 0.491 nan 8.370 nan 0.000 0.519 888 N N 0.166 118.888 118.700 0.036 0.000 1.276 888 N HA -0.290 4.450 4.740 0.000 0.000 0.137 888 N C -0.186 175.279 175.510 -0.074 0.000 0.642 888 N CA 2.700 55.738 53.050 -0.020 0.000 0.986 888 N CB -1.285 37.146 38.487 -0.093 0.000 1.277 888 N HN 0.395 nan 8.380 nan 0.000 0.495 889 C N 0.005 119.056 119.300 -0.415 0.000 2.742 889 C HA 0.466 4.926 4.460 0.000 0.000 0.283 889 C C -0.699 174.188 174.990 -0.172 0.000 1.451 889 C CA -0.674 58.190 59.018 -0.255 0.000 1.785 889 C CB -2.007 25.597 27.740 -0.228 0.000 2.664 889 C HN 0.344 nan 8.230 nan 0.000 0.544 890 Y N 1.490 121.968 120.300 0.296 0.000 2.377 890 Y HA 0.423 4.973 4.550 0.000 0.000 0.339 890 Y C 0.486 176.078 175.900 -0.514 0.000 1.011 890 Y CA -1.010 57.084 58.100 -0.011 0.000 1.093 890 Y CB 1.001 39.480 38.460 0.032 0.000 1.201 890 Y HN 0.054 nan 8.280 nan 0.000 0.455 891 K N 4.330 124.315 120.400 -0.691 0.000 2.218 891 K HA 0.588 4.908 4.320 0.000 0.000 0.276 891 K C -1.007 175.439 176.600 -0.257 0.000 1.022 891 K CA -0.393 55.453 56.287 -0.736 0.000 0.946 891 K CB 1.462 33.525 32.500 -0.728 0.000 1.000 891 K HN 0.972 nan 8.250 nan 0.000 0.468 892 I N 4.655 125.123 120.570 -0.171 0.000 2.552 892 I HA 0.117 4.287 4.170 0.000 0.000 0.253 892 I C -2.470 173.620 176.117 -0.045 0.000 1.386 892 I CA -1.187 60.072 61.300 -0.069 0.000 1.057 892 I CB 1.736 39.741 38.000 0.008 0.000 1.451 892 I HN 0.547 nan 8.210 nan 0.000 0.483 893 P HA 0.164 nan 4.420 nan 0.000 0.249 893 P C -0.888 176.396 177.300 -0.026 0.000 1.229 893 P CA 0.518 63.592 63.100 -0.044 0.000 0.788 893 P CB 0.016 31.681 31.700 -0.058 0.000 1.072 894 N N 0.661 119.340 118.700 -0.035 0.000 2.549 894 N HA 0.408 5.148 4.740 0.000 0.000 0.290 894 N C -1.329 174.180 175.510 -0.003 0.000 1.122 894 N CA -0.405 52.633 53.050 -0.020 0.000 0.885 894 N CB 2.203 40.658 38.487 -0.055 0.000 1.455 894 N HN -0.052 nan 8.380 nan 0.000 0.521 895 I N 1.000 121.601 120.570 0.051 0.000 2.710 895 I HA 0.331 4.502 4.170 0.000 0.000 0.290 895 I C -1.695 174.485 176.117 0.106 0.000 1.318 895 I CA -0.509 60.838 61.300 0.077 0.000 1.045 895 I CB 2.494 40.533 38.000 0.064 0.000 1.307 895 I HN 0.468 nan 8.210 nan 0.000 0.424 896 R N 5.648 126.222 120.500 0.123 0.000 2.473 896 R HA 0.666 5.006 4.340 0.000 0.000 0.303 896 R C -1.254 175.118 176.300 0.120 0.000 1.002 896 R CA -0.509 55.664 56.100 0.122 0.000 0.884 896 R CB 1.859 32.230 30.300 0.119 0.000 1.173 896 R HN 0.794 nan 8.270 nan 0.000 0.464 897 G N 2.159 111.034 108.800 0.125 0.000 2.609 897 G HA2 0.434 4.394 3.960 0.000 0.000 0.308 897 G HA3 0.434 4.394 3.960 0.000 0.000 0.308 897 G C -0.477 174.502 174.900 0.131 0.000 1.369 897 G CA -0.394 44.790 45.100 0.141 0.000 0.958 897 G HN 0.579 nan 8.290 nan 0.000 0.499 898 T N -0.747 113.868 114.554 0.103 0.000 2.927 898 T HA 0.914 5.264 4.350 0.000 0.000 0.286 898 T C 0.163 174.888 174.700 0.042 0.000 1.040 898 T CA -0.472 61.656 62.100 0.046 0.000 1.010 898 T CB 2.337 71.177 68.868 -0.047 0.000 1.177 898 T HN 1.508 nan 8.240 nan 0.000 0.546 899 G N 0.220 108.976 108.800 -0.073 0.000 2.667 899 G HA2 0.586 4.546 3.960 0.000 0.000 0.294 899 G HA3 0.586 4.546 3.960 0.000 0.000 0.294 899 G C -1.640 173.092 174.900 -0.281 0.000 1.467 899 G CA -0.903 44.099 45.100 -0.164 0.000 0.852 899 G HN 0.652 nan 8.290 nan 0.000 0.521 900 R N -0.366 119.876 120.500 -0.431 0.000 2.873 900 R HA 0.660 5.000 4.340 0.000 0.000 0.264 900 R C -0.771 175.378 176.300 -0.250 0.000 1.026 900 R CA -1.051 54.783 56.100 -0.444 0.000 1.002 900 R CB 1.691 31.577 30.300 -0.691 0.000 1.174 900 R HN 0.406 nan 8.270 nan 0.000 0.488 901 L N 1.991 123.058 121.223 -0.260 0.000 2.353 901 L HA 0.391 4.731 4.340 0.000 0.000 0.270 901 L C -0.685 176.281 176.870 0.160 0.000 1.003 901 L CA -0.799 54.030 54.840 -0.019 0.000 0.862 901 L CB 1.343 43.429 42.059 0.045 0.000 1.221 901 L HN 0.522 nan 8.230 nan 0.000 0.430 902 C N 2.039 121.450 119.300 0.185 0.000 2.347 902 C HA 0.280 4.740 4.460 0.000 0.000 0.353 902 C C 0.689 175.894 174.990 0.359 0.000 1.273 902 C CA -1.249 57.984 59.018 0.358 0.000 1.861 902 C CB 0.267 28.189 27.740 0.304 0.000 2.420 902 C HN 0.651 nan 8.230 nan 0.000 0.542 903 K N 2.789 123.440 120.400 0.418 0.000 2.383 903 K HA 0.376 4.696 4.320 0.000 0.000 0.286 903 K C 0.499 177.204 176.600 0.176 0.000 1.051 903 K CA 0.519 57.007 56.287 0.335 0.000 0.974 903 K CB 0.393 32.930 32.500 0.061 0.000 0.968 903 K HN 0.981 nan 8.250 nan 0.000 0.475 904 T N 0.183 114.820 114.554 0.138 0.000 2.883 904 T HA 0.267 4.617 4.350 0.000 0.000 0.296 904 T C -0.087 174.635 174.700 0.037 0.000 1.117 904 T CA -1.139 60.995 62.100 0.056 0.000 1.006 904 T CB 1.045 69.916 68.868 0.004 0.000 1.191 904 T HN 0.524 nan 8.240 nan 0.000 0.508 905 N N 0.536 119.249 118.700 0.023 0.000 2.843 905 N HA 0.352 5.092 4.740 0.000 0.000 0.284 905 N C -0.674 174.826 175.510 -0.016 0.000 1.274 905 N CA -0.201 52.855 53.050 0.010 0.000 1.045 905 N CB -0.200 38.319 38.487 0.054 0.000 1.370 905 N HN 0.333 nan 8.380 nan 0.000 0.525 906 L N 1.028 122.228 121.223 -0.037 0.000 2.346 906 L HA 0.550 4.890 4.340 0.000 0.000 0.274 906 L C -2.099 174.749 176.870 -0.037 0.000 1.007 906 L CA -2.477 52.331 54.840 -0.053 0.000 0.818 906 L CB 2.075 44.058 42.059 -0.127 0.000 1.284 906 L HN -0.013 nan 8.230 nan 0.000 0.424 907 P HA -0.065 nan 4.420 nan 0.000 0.267 907 P C -0.379 176.906 177.300 -0.025 0.000 1.200 907 P CA -0.013 63.085 63.100 -0.004 0.000 0.772 907 P CB 0.805 32.529 31.700 0.040 0.000 0.855 908 S N 2.497 118.180 115.700 -0.029 0.000 2.498 908 S HA 0.070 4.540 4.470 0.000 0.000 0.281 908 S C 0.281 174.866 174.600 -0.025 0.000 1.265 908 S CA -0.395 57.778 58.200 -0.045 0.000 1.071 908 S CB -0.958 62.224 63.200 -0.031 0.000 0.894 908 S HN 0.266 nan 8.310 nan 0.000 0.491 909 N N 3.441 122.083 118.700 -0.097 0.000 2.530 909 N HA 0.366 5.106 4.740 0.000 0.000 0.273 909 N C 0.215 175.816 175.510 0.153 0.000 1.173 909 N CA 0.075 53.091 53.050 -0.058 0.000 0.967 909 N CB 1.309 39.555 38.487 -0.402 0.000 1.109 909 N HN 0.561 nan 8.380 nan 0.000 0.453 910 T N -0.429 114.279 114.554 0.257 0.000 2.604 910 T HA 0.703 5.053 4.350 0.000 0.000 0.267 910 T C -0.912 173.924 174.700 0.227 0.000 0.923 910 T CA -0.547 61.700 62.100 0.246 0.000 1.077 910 T CB 0.748 69.724 68.868 0.180 0.000 1.392 910 T HN 0.478 nan 8.240 nan 0.000 0.531 911 A N 1.092 123.963 122.820 0.086 0.000 2.409 911 A HA 0.648 4.968 4.320 0.000 0.000 0.262 911 A C -1.057 176.594 177.584 0.112 0.000 1.113 911 A CA 0.039 52.010 52.037 -0.111 0.000 0.790 911 A CB -0.619 18.148 19.000 -0.389 0.000 1.046 911 A HN 0.676 nan 8.150 nan 0.000 0.496 912 F N 2.792 122.715 119.950 -0.045 0.000 2.653 912 F HA 0.406 4.933 4.527 0.000 0.000 0.327 912 F C 0.559 176.383 175.800 0.040 0.000 1.195 912 F CA -0.920 57.143 58.000 0.104 0.000 0.993 912 F CB 1.154 40.171 39.000 0.029 0.000 1.259 912 F HN 0.785 nan 8.300 nan 0.000 0.478 913 R N 4.343 125.085 120.500 0.404 0.000 4.180 913 R HA -0.075 4.265 4.340 0.000 0.000 0.125 913 R C 0.822 177.314 176.300 0.321 0.000 0.390 913 R CA 1.929 58.227 56.100 0.330 0.000 0.811 913 R CB -0.683 29.848 30.300 0.384 0.000 1.084 913 R HN 1.177 nan 8.270 nan 0.000 0.234 914 G N 3.438 112.418 108.800 0.301 0.000 3.131 914 G HA2 -0.262 3.698 3.960 0.000 0.000 0.198 914 G HA3 -0.262 3.698 3.960 0.000 0.000 0.198 914 G C 0.114 175.273 174.900 0.430 0.000 1.435 914 G CA -0.074 45.235 45.100 0.349 0.000 1.016 914 G HN 0.665 nan 8.290 nan 0.000 0.499 915 F N 1.168 121.229 119.950 0.185 0.000 3.074 915 F HA 0.004 4.531 4.527 0.000 0.000 0.289 915 F C 1.932 177.761 175.800 0.049 0.000 0.863 915 F CA 2.613 60.680 58.000 0.112 0.000 1.121 915 F CB -1.237 37.828 39.000 0.107 0.000 1.169 915 F HN 2.156 nan 8.300 nan 0.000 0.570 916 G N -1.123 107.840 108.800 0.272 0.000 2.217 916 G HA2 -0.227 3.733 3.960 0.000 0.000 0.246 916 G HA3 -0.227 3.733 3.960 0.000 0.000 0.246 916 G C 1.459 176.348 174.900 -0.018 0.000 0.990 916 G CA 0.859 46.063 45.100 0.172 0.000 0.627 916 G HN 1.447 nan 8.290 nan 0.000 0.522 917 G N 1.531 110.306 108.800 -0.041 0.000 2.404 917 G HA2 0.082 4.042 3.960 0.000 0.000 0.215 917 G HA3 0.082 4.042 3.960 0.000 0.000 0.215 917 G C 0.331 175.074 174.900 -0.262 0.000 1.174 917 G CA 1.846 46.790 45.100 -0.260 0.000 0.780 917 G HN 0.554 nan 8.290 nan 0.000 0.537 918 P HA -0.063 nan 4.420 nan 0.000 0.219 918 P C 0.138 177.348 177.300 -0.150 0.000 1.146 918 P CA 0.709 63.735 63.100 -0.124 0.000 0.808 918 P CB -0.032 31.740 31.700 0.120 0.000 0.779 919 Q N 0.587 120.301 119.800 -0.144 0.000 2.313 919 Q HA 0.406 4.746 4.340 0.000 0.000 0.266 919 Q C 1.058 176.807 176.000 -0.419 0.000 0.989 919 Q CA 0.134 55.764 55.803 -0.289 0.000 0.890 919 Q CB -0.599 27.894 28.738 -0.410 0.000 1.200 919 Q HN 0.041 nan 8.270 nan 0.000 0.396 920 G N 3.889 112.473 108.800 -0.359 0.000 2.829 920 G HA2 -0.218 3.742 3.960 0.000 0.000 0.315 920 G HA3 -0.218 3.742 3.960 0.000 0.000 0.315 920 G C -0.194 174.518 174.900 -0.313 0.000 0.382 920 G CA -0.014 44.892 45.100 -0.324 0.000 1.311 920 G HN 0.627 nan 8.290 nan 0.000 0.251 921 M N 2.573 121.942 119.600 -0.385 0.000 2.922 921 M HA 0.173 4.653 4.480 0.000 0.000 0.294 921 M C 1.108 177.059 176.300 -0.581 0.000 1.556 921 M CA 0.442 55.453 55.300 -0.481 0.000 1.568 921 M CB 0.022 32.121 32.600 -0.835 0.000 1.462 921 M HN 0.645 nan 8.290 nan 0.000 0.489 922 L N 0.558 121.644 121.223 -0.228 0.000 1.270 922 L HA -0.141 4.199 4.340 0.000 0.000 0.127 922 L C 1.145 177.961 176.870 -0.090 0.000 1.395 922 L CA 0.350 55.154 54.840 -0.059 0.000 1.244 922 L CB -0.589 41.351 42.059 -0.198 0.000 2.440 922 L HN 0.409 nan 8.230 nan 0.000 0.465 923 I N 2.551 123.000 120.570 -0.202 0.000 2.040 923 I HA -0.103 4.068 4.170 0.000 0.000 0.224 923 I C 1.721 177.523 176.117 -0.525 0.000 1.038 923 I CA 1.598 62.749 61.300 -0.248 0.000 1.330 923 I CB -1.621 36.284 38.000 -0.158 0.000 1.076 923 I HN 0.373 nan 8.210 nan 0.000 0.388 924 A N 1.374 123.702 122.820 -0.820 0.000 2.561 924 A HA 0.067 4.387 4.320 0.000 0.000 0.251 924 A C 0.739 177.845 177.584 -0.797 0.000 1.062 924 A CA 0.612 51.631 52.037 -1.697 0.000 0.761 924 A CB -0.278 17.800 19.000 -1.536 0.000 0.986 924 A HN 0.591 nan 8.150 nan 0.000 0.510 925 E N 0.477 120.298 120.200 -0.633 0.000 3.970 925 E HA -0.114 4.236 4.350 0.000 0.000 0.390 925 E C -0.325 176.145 176.600 -0.217 0.000 0.714 925 E CA 0.701 56.931 56.400 -0.284 0.000 1.452 925 E CB -1.420 28.250 29.700 -0.051 0.000 1.701 925 E HN 0.890 nan 8.360 nan 0.000 0.351 926 C N -2.176 117.081 119.300 -0.071 0.000 3.325 926 C HA 0.262 4.722 4.460 0.000 0.000 0.136 926 C C 1.734 176.847 174.990 0.205 0.000 2.671 926 C CA 1.090 60.182 59.018 0.123 0.000 0.876 926 C CB -1.144 26.642 27.740 0.077 0.000 1.359 926 C HN 0.750 nan 8.230 nan 0.000 0.680 927 W N 1.844 123.069 121.300 -0.125 0.000 2.200 927 W HA -0.530 4.130 4.660 0.000 0.000 0.356 927 W C 2.001 178.426 176.519 -0.157 0.000 1.724 927 W CA 3.351 60.623 57.345 -0.122 0.000 1.857 927 W CB -1.222 28.006 29.460 -0.387 0.000 0.936 927 W HN 0.548 nan 8.180 nan 0.000 0.467 928 M N 1.880 121.955 119.600 0.793 0.000 2.065 928 M HA -0.191 4.289 4.480 0.000 0.000 0.259 928 M C 2.255 178.558 176.300 0.006 0.000 1.069 928 M CA 3.229 58.756 55.300 0.378 0.000 1.110 928 M CB -0.891 31.767 32.600 0.096 0.000 1.328 928 M HN 0.218 nan 8.290 nan 0.000 0.405 929 S N -1.209 114.463 115.700 -0.046 0.000 2.561 929 S HA 0.000 4.470 4.470 0.000 0.000 0.225 929 S C 1.665 176.238 174.600 -0.045 0.000 0.977 929 S CA 0.750 58.905 58.200 -0.075 0.000 0.926 929 S CB -0.563 62.567 63.200 -0.117 0.000 0.769 929 S HN 0.626 nan 8.310 nan 0.000 0.533 930 E N 0.967 121.151 120.200 -0.027 0.000 2.086 930 E HA 0.013 4.363 4.350 0.000 0.000 0.190 930 E C 1.824 178.329 176.600 -0.157 0.000 0.975 930 E CA 0.479 56.853 56.400 -0.042 0.000 0.813 930 E CB -0.158 29.568 29.700 0.044 0.000 0.768 930 E HN 0.278 nan 8.360 nan 0.000 0.457 931 V N 1.827 121.533 119.914 -0.347 0.000 2.239 931 V HA -0.383 3.737 4.120 0.000 0.000 0.246 931 V C 2.326 178.294 176.094 -0.211 0.000 1.037 931 V CA 2.241 64.180 62.300 -0.601 0.000 1.012 931 V CB -0.936 30.424 31.823 -0.772 0.000 0.650 931 V HN 0.423 nan 8.190 nan 0.000 0.467 932 A N -1.365 121.371 122.820 -0.140 0.000 2.171 932 A HA -0.236 4.084 4.320 0.000 0.000 0.223 932 A C 2.229 179.812 177.584 -0.001 0.000 1.166 932 A CA 2.469 54.480 52.037 -0.043 0.000 0.668 932 A CB -0.667 18.315 19.000 -0.031 0.000 0.807 932 A HN 0.419 nan 8.150 nan 0.000 0.475 933 V N -1.994 117.915 119.914 -0.009 0.000 2.795 933 V HA -0.085 4.035 4.120 0.000 0.000 0.243 933 V C 2.584 178.705 176.094 0.045 0.000 1.069 933 V CA 2.039 64.350 62.300 0.019 0.000 1.089 933 V CB -0.277 31.550 31.823 0.007 0.000 0.756 933 V HN 0.595 nan 8.190 nan 0.000 0.471 934 T N -0.693 113.899 114.554 0.064 0.000 2.708 934 T HA -0.239 4.111 4.350 0.000 0.000 0.266 934 T C 1.964 176.760 174.700 0.160 0.000 1.037 934 T CA 2.024 64.207 62.100 0.139 0.000 1.146 934 T CB -0.466 68.558 68.868 0.260 0.000 0.865 934 T HN 0.553 nan 8.240 nan 0.000 0.435 935 C N 0.641 120.059 119.300 0.197 0.000 2.398 935 C HA 0.267 4.727 4.460 0.000 0.000 0.276 935 C C 1.699 176.733 174.990 0.074 0.000 1.222 935 C CA 0.536 59.632 59.018 0.131 0.000 1.746 935 C CB -1.651 26.164 27.740 0.124 0.000 2.039 935 C HN 0.914 nan 8.230 nan 0.000 0.470 936 G N 0.281 109.118 108.800 0.062 0.000 3.409 936 G HA2 -0.080 3.880 3.960 0.000 0.000 0.686 936 G HA3 -0.080 3.880 3.960 0.000 0.000 0.686 936 G C 0.017 174.946 174.900 0.048 0.000 1.017 936 G CA 0.042 45.171 45.100 0.049 0.000 0.854 936 G HN 0.435 nan 8.290 nan 0.000 0.508 937 M N 2.555 122.185 119.600 0.050 0.000 2.065 937 M HA 0.317 4.797 4.480 0.000 0.000 0.224 937 M C -1.227 175.110 176.300 0.063 0.000 1.263 937 M CA 0.459 55.792 55.300 0.055 0.000 1.088 937 M CB -2.297 30.340 32.600 0.062 0.000 1.054 937 M HN 0.421 nan 8.290 nan 0.000 0.439 938 P HA -0.055 nan 4.420 nan 0.000 0.266 938 P C 0.239 177.604 177.300 0.108 0.000 1.162 938 P CA 0.817 63.984 63.100 0.111 0.000 0.758 938 P CB 0.154 31.947 31.700 0.154 0.000 0.774 939 A N 2.683 125.575 122.820 0.120 0.000 2.015 939 A HA -0.183 4.137 4.320 0.000 0.000 0.219 939 A C 2.142 179.798 177.584 0.119 0.000 1.163 939 A CA 1.339 53.435 52.037 0.097 0.000 0.646 939 A CB -0.684 18.374 19.000 0.096 0.000 0.806 939 A HN 0.668 nan 8.150 nan 0.000 0.448 940 E N 0.275 120.568 120.200 0.155 0.000 2.017 940 E HA -0.242 4.108 4.350 0.000 0.000 0.193 940 E C 1.898 178.597 176.600 0.164 0.000 0.997 940 E CA 1.654 58.150 56.400 0.160 0.000 0.804 940 E CB -0.254 29.493 29.700 0.078 0.000 0.757 940 E HN 0.741 nan 8.360 nan 0.000 0.448 941 E N -0.302 119.975 120.200 0.128 0.000 2.118 941 E HA -0.162 4.189 4.350 0.000 0.000 0.195 941 E C 2.130 178.751 176.600 0.035 0.000 0.992 941 E CA 1.380 57.832 56.400 0.088 0.000 0.804 941 E CB 0.176 29.926 29.700 0.084 0.000 0.741 941 E HN 0.123 nan 8.360 nan 0.000 0.458 942 V N 0.601 120.531 119.914 0.026 0.000 2.358 942 V HA -0.217 3.903 4.120 0.000 0.000 0.246 942 V C 2.237 178.293 176.094 -0.063 0.000 1.047 942 V CA 1.781 64.068 62.300 -0.022 0.000 1.035 942 V CB -0.468 31.334 31.823 -0.034 0.000 0.658 942 V HN 0.214 nan 8.190 nan 0.000 0.452 943 R N 0.305 120.785 120.500 -0.033 0.000 2.062 943 R HA -0.093 4.247 4.340 0.000 0.000 0.226 943 R C 2.520 178.733 176.300 -0.146 0.000 1.125 943 R CA 1.435 57.507 56.100 -0.047 0.000 0.966 943 R CB -0.469 29.888 30.300 0.095 0.000 0.861 943 R HN 0.486 nan 8.270 nan 0.000 0.433 944 R N 1.928 122.290 120.500 -0.230 0.000 2.119 944 R HA -0.210 4.130 4.340 0.000 0.000 0.246 944 R C 2.063 178.250 176.300 -0.187 0.000 1.146 944 R CA 2.114 58.002 56.100 -0.354 0.000 0.962 944 R CB -0.235 29.963 30.300 -0.169 0.000 0.863 944 R HN 0.036 nan 8.270 nan 0.000 0.442 945 K N 0.383 120.724 120.400 -0.098 0.000 2.074 945 K HA -0.168 4.152 4.320 0.000 0.000 0.209 945 K C 0.207 176.767 176.600 -0.067 0.000 1.048 945 K CA 2.006 58.253 56.287 -0.067 0.000 0.926 945 K CB -0.111 32.361 32.500 -0.046 0.000 0.713 945 K HN 0.700 nan 8.250 nan 0.000 0.444 946 N N 0.342 119.009 118.700 -0.054 0.000 2.598 946 N HA 0.162 4.902 4.740 0.000 0.000 0.309 946 N C -0.978 174.579 175.510 0.080 0.000 1.645 946 N CA -0.435 52.599 53.050 -0.028 0.000 0.936 946 N CB 0.414 38.864 38.487 -0.062 0.000 1.323 946 N HN -0.050 nan 8.380 nan 0.000 0.497 947 L N 1.753 122.998 121.223 0.037 0.000 2.410 947 L HA 0.166 4.506 4.340 0.000 0.000 0.273 947 L C 0.304 177.156 176.870 -0.031 0.000 1.152 947 L CA -0.547 54.321 54.840 0.047 0.000 0.855 947 L CB -0.043 42.002 42.059 -0.024 0.000 1.129 947 L HN 0.269 nan 8.230 nan 0.000 0.463 948 Y N 3.172 123.433 120.300 -0.064 0.000 3.053 948 Y HA -0.163 4.387 4.550 0.000 0.000 0.346 948 Y C 0.625 176.256 175.900 -0.448 0.000 1.279 948 Y CA 0.635 58.584 58.100 -0.252 0.000 1.513 948 Y CB 0.213 38.507 38.460 -0.276 0.000 1.295 948 Y HN 0.490 nan 8.280 nan 0.000 0.642 949 K N 0.491 120.659 120.400 -0.386 0.000 2.443 949 K HA 0.474 4.795 4.320 0.000 0.000 0.251 949 K C -1.141 175.133 176.600 -0.543 0.000 0.972 949 K CA -1.454 54.561 56.287 -0.454 0.000 0.833 949 K CB 1.432 33.806 32.500 -0.209 0.000 1.317 949 K HN 0.397 nan 8.250 nan 0.000 0.441 950 E N 0.731 120.682 120.200 -0.414 0.000 2.905 950 E HA 0.033 4.383 4.350 0.000 0.000 0.240 950 E C 0.677 177.158 176.600 -0.199 0.000 0.990 950 E CA 1.790 58.019 56.400 -0.284 0.000 0.954 950 E CB -0.714 28.949 29.700 -0.062 0.000 0.908 950 E HN 0.810 nan 8.360 nan 0.000 0.532 951 G N 3.595 112.281 108.800 -0.190 0.000 2.179 951 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 951 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 951 G C 0.033 174.872 174.900 -0.101 0.000 0.990 951 G CA -0.037 45.002 45.100 -0.102 0.000 0.646 951 G HN 0.622 nan 8.290 nan 0.000 0.517 952 D N 0.018 120.333 120.400 -0.141 0.000 2.356 952 D HA 0.589 5.229 4.640 0.000 0.000 0.258 952 D C 0.810 177.088 176.300 -0.036 0.000 1.279 952 D CA 0.479 54.436 54.000 -0.071 0.000 1.016 952 D CB 0.512 41.291 40.800 -0.034 0.000 1.107 952 D HN 0.520 nan 8.370 nan 0.000 0.544 953 L N -1.695 119.532 121.223 0.007 0.000 2.408 953 L HA 0.434 4.774 4.340 0.000 0.000 0.268 953 L C 0.387 177.289 176.870 0.053 0.000 0.986 953 L CA -1.162 53.670 54.840 -0.014 0.000 0.820 953 L CB 0.832 42.863 42.059 -0.048 0.000 1.303 953 L HN 0.280 nan 8.230 nan 0.000 0.411 954 T N -2.333 112.129 114.554 -0.153 0.000 2.855 954 T HA 0.031 4.381 4.350 0.000 0.000 0.322 954 T C 1.231 175.749 174.700 -0.303 0.000 1.088 954 T CA 0.541 62.456 62.100 -0.309 0.000 1.104 954 T CB 0.123 68.285 68.868 -1.176 0.000 0.996 954 T HN 0.895 nan 8.240 nan 0.000 0.549 955 H N 0.864 119.860 119.070 -0.123 0.000 2.568 955 H HA -0.025 4.531 4.556 0.000 0.000 0.281 955 H C 0.793 176.202 175.328 0.134 0.000 1.028 955 H CA 0.791 56.865 56.048 0.045 0.000 1.199 955 H CB -0.796 29.045 29.762 0.131 0.000 1.352 955 H HN 0.849 nan 8.280 nan 0.000 0.605 956 F N -0.608 119.260 119.950 -0.136 0.000 2.688 956 F HA 0.399 4.926 4.527 0.000 0.000 0.310 956 F C 0.074 175.956 175.800 0.137 0.000 1.098 956 F CA -1.071 56.957 58.000 0.047 0.000 1.228 956 F CB -0.016 38.958 39.000 -0.044 0.000 1.042 956 F HN -0.136 nan 8.300 nan 0.000 0.557 957 N N 1.903 120.542 118.700 -0.100 0.000 2.783 957 N HA -0.239 4.501 4.740 0.000 0.000 0.247 957 N C -0.344 175.173 175.510 0.012 0.000 1.089 957 N CA 0.948 53.986 53.050 -0.019 0.000 0.690 957 N CB -1.089 37.432 38.487 0.055 0.000 0.991 957 N HN 0.791 nan 8.380 nan 0.000 0.552 958 Q N 0.684 120.433 119.800 -0.085 0.000 2.274 958 Q HA 0.353 4.693 4.340 0.000 0.000 0.260 958 Q C -0.316 175.687 176.000 0.006 0.000 0.974 958 Q CA -0.648 55.188 55.803 0.056 0.000 0.876 958 Q CB 1.435 30.322 28.738 0.248 0.000 1.297 958 Q HN 0.147 nan 8.270 nan 0.000 0.446 959 K N 3.584 124.019 120.400 0.059 0.000 2.368 959 K HA 0.178 4.498 4.320 0.000 0.000 0.282 959 K C -0.598 176.033 176.600 0.051 0.000 1.035 959 K CA -0.170 56.134 56.287 0.028 0.000 0.973 959 K CB 0.449 32.969 32.500 0.034 0.000 0.957 959 K HN 0.640 nan 8.250 nan 0.000 0.474 960 L N 5.276 126.479 121.223 -0.033 0.000 2.404 960 L HA 0.116 4.456 4.340 0.000 0.000 0.277 960 L C 0.023 176.936 176.870 0.072 0.000 1.184 960 L CA 0.052 54.890 54.840 -0.003 0.000 1.013 960 L CB -0.080 41.880 42.059 -0.166 0.000 1.318 960 L HN 0.625 nan 8.230 nan 0.000 0.435 961 E N 1.529 121.818 120.200 0.148 0.000 2.319 961 E HA 0.329 4.679 4.350 0.000 0.000 0.268 961 E C 0.634 177.333 176.600 0.166 0.000 1.050 961 E CA -0.453 56.022 56.400 0.124 0.000 0.878 961 E CB 1.125 30.888 29.700 0.104 0.000 1.066 961 E HN 0.591 nan 8.360 nan 0.000 0.406 962 G N 2.603 111.471 108.800 0.114 0.000 2.121 962 G HA2 -0.281 3.680 3.960 0.000 0.000 0.237 962 G HA3 -0.281 3.680 3.960 0.000 0.000 0.237 962 G C -0.655 174.310 174.900 0.108 0.000 0.628 962 G CA 0.439 45.598 45.100 0.098 0.000 1.062 962 G HN 0.375 nan 8.290 nan 0.000 0.350 963 F N 3.469 123.331 119.950 -0.147 0.000 2.361 963 F HA 0.533 5.060 4.527 0.000 0.000 0.364 963 F C 1.488 177.022 175.800 -0.443 0.000 1.117 963 F CA -0.189 57.579 58.000 -0.387 0.000 1.071 963 F CB 1.293 40.132 39.000 -0.269 0.000 1.188 963 F HN 0.270 nan 8.300 nan 0.000 0.464 964 T N 2.736 116.695 114.554 -0.992 0.000 3.051 964 T HA -0.062 4.288 4.350 0.000 0.000 0.255 964 T C 1.936 176.285 174.700 -0.584 0.000 1.085 964 T CA 0.647 62.420 62.100 -0.544 0.000 1.109 964 T CB -0.246 68.430 68.868 -0.320 0.000 0.921 964 T HN 0.595 nan 8.240 nan 0.000 0.488 965 L N 3.217 123.755 121.223 -1.142 0.000 2.030 965 L HA -0.099 4.241 4.340 0.000 0.000 0.222 965 L C -0.435 176.302 176.870 -0.221 0.000 1.082 965 L CA 2.460 56.882 54.840 -0.697 0.000 0.785 965 L CB -1.074 40.423 42.059 -0.937 0.000 0.895 965 L HN 0.203 nan 8.230 nan 0.000 0.439 966 P HA -0.227 nan 4.420 nan 0.000 0.217 966 P C 1.523 178.878 177.300 0.091 0.000 1.150 966 P CA 1.626 64.767 63.100 0.068 0.000 0.832 966 P CB -0.217 31.541 31.700 0.097 0.000 0.787 967 R N -0.160 120.345 120.500 0.009 0.000 2.096 967 R HA -0.108 4.232 4.340 0.000 0.000 0.235 967 R C 2.197 178.516 176.300 0.031 0.000 1.127 967 R CA 1.838 57.950 56.100 0.019 0.000 0.968 967 R CB -0.832 29.463 30.300 -0.008 0.000 0.861 967 R HN 0.137 nan 8.270 nan 0.000 0.440 968 C N -0.458 118.852 119.300 0.016 0.000 2.440 968 C HA -0.092 4.368 4.460 0.000 0.000 0.278 968 C C 2.323 177.354 174.990 0.068 0.000 1.295 968 C CA 0.058 59.096 59.018 0.032 0.000 1.738 968 C CB -1.276 26.484 27.740 0.033 0.000 1.987 968 C HN 0.683 nan 8.230 nan 0.000 0.492 969 W N 1.838 123.106 121.300 -0.054 0.000 2.322 969 W HA -0.170 4.490 4.660 0.000 0.000 0.326 969 W C 2.333 178.829 176.519 -0.037 0.000 1.224 969 W CA 2.035 59.354 57.345 -0.043 0.000 1.257 969 W CB -0.878 28.564 29.460 -0.030 0.000 1.174 969 W HN 0.289 nan 8.180 nan 0.000 0.460 970 E N 0.273 120.613 120.200 0.233 0.000 2.097 970 E HA -0.309 4.041 4.350 0.000 0.000 0.196 970 E C 2.071 178.675 176.600 0.005 0.000 1.000 970 E CA 2.369 58.847 56.400 0.130 0.000 0.804 970 E CB -0.590 29.195 29.700 0.141 0.000 0.740 970 E HN 0.440 nan 8.360 nan 0.000 0.454 971 E N -1.008 119.192 120.200 0.000 0.000 2.358 971 E HA -0.131 4.219 4.350 0.000 0.000 0.195 971 E C 1.823 178.390 176.600 -0.055 0.000 1.010 971 E CA 0.790 57.180 56.400 -0.018 0.000 0.856 971 E CB -0.073 29.625 29.700 -0.005 0.000 0.795 971 E HN 0.376 nan 8.360 nan 0.000 0.504 972 C N -0.117 119.117 119.300 -0.111 0.000 2.543 972 C HA 0.026 4.486 4.460 0.000 0.000 0.281 972 C C 2.296 177.181 174.990 -0.176 0.000 1.276 972 C CA 0.391 59.318 59.018 -0.153 0.000 1.700 972 C CB -0.991 26.615 27.740 -0.223 0.000 2.093 972 C HN 0.498 nan 8.230 nan 0.000 0.488 973 L N 2.218 123.275 121.223 -0.276 0.000 2.447 973 L HA -0.029 4.311 4.340 0.000 0.000 0.225 973 L C 2.576 179.398 176.870 -0.079 0.000 1.148 973 L CA 1.413 56.112 54.840 -0.235 0.000 0.808 973 L CB -1.006 40.856 42.059 -0.327 0.000 0.928 973 L HN 0.492 nan 8.230 nan 0.000 0.448 974 A N 0.417 123.203 122.820 -0.056 0.000 1.822 974 A HA -0.186 4.134 4.320 0.000 0.000 0.214 974 A C 2.519 180.104 177.584 0.001 0.000 1.245 974 A CA 1.888 53.921 52.037 -0.007 0.000 0.608 974 A CB -1.202 17.794 19.000 -0.007 0.000 0.896 974 A HN 0.433 nan 8.150 nan 0.000 0.457 975 S N 0.542 116.235 115.700 -0.011 0.000 2.359 975 S HA -0.252 4.218 4.470 0.000 0.000 0.223 975 S C 2.215 176.813 174.600 -0.002 0.000 1.039 975 S CA 2.320 60.517 58.200 -0.005 0.000 1.042 975 S CB -1.297 61.896 63.200 -0.012 0.000 0.915 975 S HN 1.198 nan 8.310 nan 0.000 0.439 976 S N 2.550 118.240 115.700 -0.016 0.000 2.400 976 S HA -0.236 4.234 4.470 0.000 0.000 0.232 976 S C 0.987 175.594 174.600 0.012 0.000 1.025 976 S CA 1.300 59.496 58.200 -0.007 0.000 0.993 976 S CB -1.282 61.904 63.200 -0.024 0.000 0.808 976 S HN 0.880 nan 8.310 nan 0.000 0.478 977 Q N -0.910 118.903 119.800 0.021 0.000 2.443 977 Q HA -0.289 4.051 4.340 0.000 0.000 0.362 977 Q C 0.131 176.167 176.000 0.060 0.000 1.423 977 Q CA 0.807 56.641 55.803 0.052 0.000 1.037 977 Q CB -2.594 26.174 28.738 0.049 0.000 1.208 977 Q HN 0.696 nan 8.270 nan 0.000 0.334 978 Y N 2.850 123.071 120.300 -0.133 0.000 2.044 978 Y HA -0.202 4.348 4.550 0.000 0.000 0.264 978 Y C 1.309 177.111 175.900 -0.162 0.000 1.111 978 Y CA 2.248 60.223 58.100 -0.207 0.000 1.088 978 Y CB -0.185 38.045 38.460 -0.384 0.000 0.981 978 Y HN 0.798 nan 8.280 nan 0.000 0.478 979 H N 0.049 119.254 119.070 0.225 0.000 3.276 979 H HA 0.420 4.976 4.556 0.000 0.000 0.247 979 H C 0.283 175.638 175.328 0.046 0.000 0.991 979 H CA 0.070 56.161 56.048 0.071 0.000 1.431 979 H CB 0.082 29.916 29.762 0.120 0.000 1.548 979 H HN 0.427 nan 8.280 nan 0.000 0.513 980 A N 3.420 126.296 122.820 0.093 0.000 1.757 980 A HA 0.083 4.403 4.320 0.000 0.000 0.205 980 A C 2.196 179.785 177.584 0.009 0.000 1.791 980 A CA -0.116 51.970 52.037 0.082 0.000 1.282 980 A CB 0.107 19.144 19.000 0.060 0.000 1.297 980 A HN 0.496 nan 8.150 nan 0.000 0.422 981 R N 0.610 121.095 120.500 -0.025 0.000 2.224 981 R HA -0.338 4.002 4.340 0.000 0.000 0.255 981 R C 2.159 178.382 176.300 -0.128 0.000 1.130 981 R CA 2.411 58.465 56.100 -0.076 0.000 0.957 981 R CB -0.394 29.857 30.300 -0.082 0.000 0.907 981 R HN 0.565 nan 8.270 nan 0.000 0.446 982 K N 0.458 120.715 120.400 -0.239 0.000 2.000 982 K HA -0.229 4.091 4.320 0.000 0.000 0.218 982 K C 2.124 178.669 176.600 -0.092 0.000 1.053 982 K CA 2.399 58.534 56.287 -0.253 0.000 0.946 982 K CB -0.545 31.742 32.500 -0.353 0.000 0.723 982 K HN 0.168 nan 8.250 nan 0.000 0.446 983 S N 0.479 116.159 115.700 -0.034 0.000 2.369 983 S HA -0.320 4.150 4.470 0.000 0.000 0.225 983 S C 2.022 176.628 174.600 0.010 0.000 1.043 983 S CA 2.161 60.365 58.200 0.006 0.000 1.074 983 S CB -0.734 62.483 63.200 0.028 0.000 0.962 983 S HN 0.543 nan 8.310 nan 0.000 0.433 984 E N -0.085 120.118 120.200 0.005 0.000 2.233 984 E HA -0.155 4.195 4.350 0.000 0.000 0.199 984 E C 1.914 178.534 176.600 0.035 0.000 1.004 984 E CA 1.627 58.039 56.400 0.020 0.000 0.819 984 E CB -0.193 29.511 29.700 0.007 0.000 0.738 984 E HN 0.551 nan 8.360 nan 0.000 0.478 985 V N 1.895 121.814 119.914 0.008 0.000 2.239 985 V HA -0.180 3.940 4.120 0.000 0.000 0.242 985 V C 0.682 176.833 176.094 0.096 0.000 1.038 985 V CA 1.800 64.116 62.300 0.027 0.000 1.002 985 V CB -0.409 31.398 31.823 -0.027 0.000 0.641 985 V HN 0.308 nan 8.190 nan 0.000 0.449 986 D N 1.264 121.698 120.400 0.056 0.000 2.363 986 D HA 0.252 4.892 4.640 0.000 0.000 0.263 986 D C 0.519 176.856 176.300 0.062 0.000 1.258 986 D CA 0.493 54.529 54.000 0.061 0.000 0.907 986 D CB 1.523 42.343 40.800 0.033 0.000 1.107 986 D HN 0.511 nan 8.370 nan 0.000 0.495 987 K N 1.489 121.934 120.400 0.076 0.000 2.179 987 K HA -0.174 4.146 4.320 0.000 0.000 0.220 987 K C 0.539 177.199 176.600 0.099 0.000 2.434 987 K CA -0.039 56.291 56.287 0.071 0.000 1.317 987 K CB -1.567 30.981 32.500 0.079 0.000 2.670 987 K HN 0.186 nan 8.250 nan 0.000 0.316 988 F N 2.773 122.726 119.950 0.004 0.000 2.113 988 F HA 0.077 4.604 4.527 0.000 0.000 0.297 988 F C 1.645 177.449 175.800 0.006 0.000 1.103 988 F CA 2.196 60.203 58.000 0.012 0.000 1.248 988 F CB -0.305 38.706 39.000 0.018 0.000 0.999 988 F HN 0.256 nan 8.300 nan 0.000 0.475 989 N N 1.026 119.861 118.700 0.224 0.000 2.137 989 N HA -0.250 4.490 4.740 0.000 0.000 0.190 989 N C 1.906 177.375 175.510 -0.069 0.000 1.017 989 N CA 1.515 54.608 53.050 0.070 0.000 0.859 989 N CB -0.538 38.006 38.487 0.096 0.000 1.002 989 N HN 0.421 nan 8.380 nan 0.000 0.428 990 K N 1.311 121.681 120.400 -0.052 0.000 1.984 990 K HA -0.094 4.226 4.320 0.000 0.000 0.209 990 K C 1.470 178.000 176.600 -0.117 0.000 1.046 990 K CA 1.281 57.523 56.287 -0.075 0.000 0.934 990 K CB -0.018 32.458 32.500 -0.040 0.000 0.717 990 K HN 0.170 nan 8.250 nan 0.000 0.438 991 E N 0.351 120.472 120.200 -0.132 0.000 2.338 991 E HA -0.045 4.305 4.350 0.000 0.000 0.197 991 E C -0.067 176.390 176.600 -0.238 0.000 1.007 991 E CA 0.345 56.649 56.400 -0.160 0.000 0.849 991 E CB 0.106 29.728 29.700 -0.129 0.000 0.774 991 E HN 0.282 nan 8.360 nan 0.000 0.506 992 N N -0.561 117.922 118.700 -0.363 0.000 2.362 992 N HA 0.107 4.847 4.740 0.000 0.000 0.298 992 N C -0.492 174.875 175.510 -0.239 0.000 1.048 992 N CA -0.303 52.540 53.050 -0.346 0.000 0.858 992 N CB 1.914 40.017 38.487 -0.642 0.000 1.218 992 N HN -0.012 nan 8.380 nan 0.000 0.488 993 C N 0.820 120.001 119.300 -0.198 0.000 2.611 993 C HA 0.225 4.685 4.460 0.000 0.000 0.282 993 C C 1.211 175.923 174.990 -0.462 0.000 1.321 993 C CA -0.134 58.629 59.018 -0.425 0.000 1.747 993 C CB -0.559 26.837 27.740 -0.574 0.000 2.124 993 C HN 0.853 nan 8.230 nan 0.000 0.531 994 W N 0.274 121.634 121.300 0.100 0.000 2.355 994 W HA 0.311 4.971 4.660 0.000 0.000 0.303 994 W C 0.444 177.038 176.519 0.125 0.000 0.939 994 W CA -0.312 57.115 57.345 0.136 0.000 1.377 994 W CB 0.583 30.141 29.460 0.162 0.000 1.048 994 W HN -0.086 nan 8.180 nan 0.000 0.542 995 K N 1.129 121.708 120.400 0.298 0.000 2.435 995 K HA 0.537 4.857 4.320 0.000 0.000 0.251 995 K C -0.267 176.499 176.600 0.277 0.000 0.954 995 K CA -0.850 55.611 56.287 0.290 0.000 0.820 995 K CB 2.526 35.219 32.500 0.322 0.000 1.292 995 K HN -0.424 nan 8.250 nan 0.000 0.436 996 K N 1.649 122.254 120.400 0.341 0.000 2.495 996 K HA 0.522 4.843 4.320 0.000 0.000 0.268 996 K C -0.838 175.942 176.600 0.299 0.000 1.008 996 K CA -0.923 55.565 56.287 0.335 0.000 0.882 996 K CB 2.508 35.111 32.500 0.171 0.000 1.443 996 K HN 0.524 nan 8.250 nan 0.000 0.447 997 R N -0.593 120.035 120.500 0.214 0.000 2.867 997 R HA 0.704 5.044 4.340 0.000 0.000 0.268 997 R C -0.494 175.827 176.300 0.034 0.000 1.014 997 R CA -1.044 55.080 56.100 0.039 0.000 0.946 997 R CB 2.256 32.479 30.300 -0.129 0.000 1.208 997 R HN 0.783 nan 8.270 nan 0.000 0.477 998 G N 0.716 109.519 108.800 0.005 0.000 2.659 998 G HA2 0.612 4.572 3.960 0.000 0.000 0.296 998 G HA3 0.612 4.572 3.960 0.000 0.000 0.296 998 G C -2.121 172.778 174.900 -0.003 0.000 1.369 998 G CA -0.447 44.659 45.100 0.010 0.000 0.937 998 G HN 0.353 nan 8.290 nan 0.000 0.485 999 L N 0.489 121.711 121.223 -0.003 0.000 2.436 999 L HA 0.853 5.193 4.340 0.000 0.000 0.268 999 L C -0.947 175.962 176.870 0.066 0.000 0.974 999 L CA -0.446 54.386 54.840 -0.013 0.000 0.826 999 L CB 1.785 43.764 42.059 -0.134 0.000 1.291 999 L HN 0.761 nan 8.230 nan 0.000 0.406 1000 C N 4.355 123.728 119.300 0.122 0.000 3.173 1000 C HA 0.785 5.246 4.460 0.000 0.000 0.310 1000 C C -1.242 173.845 174.990 0.161 0.000 1.306 1000 C CA -0.723 58.405 59.018 0.184 0.000 1.426 1000 C CB 1.715 29.563 27.740 0.180 0.000 1.800 1000 C HN 0.887 nan 8.230 nan 0.000 0.470 1001 I N 4.138 124.775 120.570 0.112 0.000 2.497 1001 I HA 0.735 4.905 4.170 0.000 0.000 0.284 1001 I C -1.383 174.740 176.117 0.010 0.000 1.060 1001 I CA 0.029 61.303 61.300 -0.044 0.000 1.071 1001 I CB 0.826 38.658 38.000 -0.280 0.000 1.216 1001 I HN 0.536 nan 8.210 nan 0.000 0.442 1002 I N 9.749 130.335 120.570 0.028 0.000 2.646 1002 I HA 0.702 4.872 4.170 0.000 0.000 0.299 1002 I C -2.380 173.824 176.117 0.146 0.000 1.036 1002 I CA -1.733 59.630 61.300 0.105 0.000 1.074 1002 I CB 2.284 40.296 38.000 0.020 0.000 1.258 1002 I HN 0.406 nan 8.210 nan 0.000 0.430 1003 P HA 0.555 nan 4.420 nan 0.000 0.287 1003 P C -1.091 176.319 177.300 0.184 0.000 1.292 1003 P CA -0.711 62.528 63.100 0.231 0.000 0.879 1003 P CB 2.225 34.062 31.700 0.227 0.000 1.214 1004 T N -0.829 113.842 114.554 0.194 0.000 3.087 1004 T HA 0.558 4.908 4.350 0.000 0.000 0.351 1004 T C -1.967 172.847 174.700 0.189 0.000 1.520 1004 T CA -0.716 61.534 62.100 0.251 0.000 1.111 1004 T CB 0.722 69.811 68.868 0.369 0.000 1.353 1004 T HN 0.691 nan 8.240 nan 0.000 0.481 1005 K N 2.680 123.168 120.400 0.147 0.000 2.468 1005 K HA 0.796 5.116 4.320 0.000 0.000 0.252 1005 K C -1.941 174.753 176.600 0.158 0.000 0.932 1005 K CA -0.913 55.363 56.287 -0.017 0.000 0.794 1005 K CB 1.933 34.346 32.500 -0.144 0.000 1.241 1005 K HN 0.403 nan 8.250 nan 0.000 0.428 1006 F N 1.690 121.624 119.950 -0.027 0.000 2.562 1006 F HA 0.515 5.043 4.527 0.000 0.000 0.319 1006 F C -0.115 175.586 175.800 -0.165 0.000 1.154 1006 F CA -0.363 57.623 58.000 -0.023 0.000 0.931 1006 F CB 2.063 40.998 39.000 -0.108 0.000 1.198 1006 F HN 0.849 nan 8.300 nan 0.000 0.444 1007 G N 5.908 114.364 108.800 -0.574 0.000 2.403 1007 G HA2 0.460 4.420 3.960 0.000 0.000 0.259 1007 G HA3 0.460 4.420 3.960 0.000 0.000 0.259 1007 G C -0.979 173.500 174.900 -0.702 0.000 1.244 1007 G CA -0.371 43.776 45.100 -1.589 0.000 0.849 1007 G HN 0.628 nan 8.290 nan 0.000 0.532 1008 I N 1.654 121.916 120.570 -0.514 0.000 2.330 1008 I HA 0.510 4.680 4.170 0.000 0.000 0.289 1008 I C 0.188 176.226 176.117 -0.131 0.000 1.001 1008 I CA 0.494 61.650 61.300 -0.240 0.000 1.193 1008 I CB 1.465 39.169 38.000 -0.493 0.000 1.345 1008 I HN 0.540 nan 8.210 nan 0.000 0.461 1009 S N 4.126 119.825 115.700 -0.003 0.000 2.754 1009 S HA 0.205 4.675 4.470 0.000 0.000 0.277 1009 S C -0.874 173.678 174.600 -0.080 0.000 0.859 1009 S CA -0.937 57.231 58.200 -0.054 0.000 1.014 1009 S CB 0.166 63.333 63.200 -0.055 0.000 1.276 1009 S HN 0.281 nan 8.310 nan 0.000 0.466 1010 F N 2.274 122.182 119.950 -0.071 0.000 2.518 1010 F HA 0.156 4.683 4.527 0.000 0.000 0.359 1010 F C 2.250 177.920 175.800 -0.216 0.000 1.118 1010 F CA 1.201 59.149 58.000 -0.087 0.000 1.287 1010 F CB 1.057 40.031 39.000 -0.043 0.000 1.132 1010 F HN 0.799 nan 8.300 nan 0.000 0.587 1011 T N -0.708 113.796 114.554 -0.083 0.000 2.809 1011 T HA -0.018 4.332 4.350 0.000 0.000 0.260 1011 T C 0.720 175.311 174.700 -0.181 0.000 1.039 1011 T CA 0.191 62.148 62.100 -0.238 0.000 1.141 1011 T CB -0.548 68.178 68.868 -0.237 0.000 0.869 1011 T HN 0.181 nan 8.240 nan 0.000 0.437 1012 V N 5.590 125.405 119.914 -0.166 0.000 2.475 1012 V HA 0.065 4.186 4.120 0.000 0.000 0.292 1012 V C -0.630 175.287 176.094 -0.294 0.000 1.003 1012 V CA -1.005 61.099 62.300 -0.328 0.000 1.120 1012 V CB 0.552 32.095 31.823 -0.466 0.000 0.937 1012 V HN 0.383 nan 8.190 nan 0.000 0.476 1013 P HA -0.135 nan 4.420 nan 0.000 0.217 1013 P C 1.326 178.592 177.300 -0.057 0.000 1.151 1013 P CA 1.134 64.151 63.100 -0.137 0.000 0.828 1013 P CB -0.020 31.621 31.700 -0.098 0.000 0.788 1014 F N -0.648 119.266 119.950 -0.060 0.000 2.772 1014 F HA 0.122 4.649 4.527 0.000 0.000 0.301 1014 F C 1.284 177.006 175.800 -0.129 0.000 1.250 1014 F CA -0.247 57.709 58.000 -0.074 0.000 1.441 1014 F CB -1.955 37.014 39.000 -0.052 0.000 1.112 1014 F HN -0.196 nan 8.300 nan 0.000 0.563 1015 L N 0.143 121.415 121.223 0.081 0.000 2.585 1015 L HA 0.142 4.482 4.340 0.000 0.000 0.226 1015 L C 0.656 177.366 176.870 -0.267 0.000 1.113 1015 L CA 0.055 54.770 54.840 -0.208 0.000 0.876 1015 L CB -0.414 41.223 42.059 -0.704 0.000 1.072 1015 L HN 0.099 nan 8.230 nan 0.000 0.468 1016 N N 2.867 121.543 118.700 -0.039 0.000 2.968 1016 N HA 0.123 4.863 4.740 0.000 0.000 0.271 1016 N C -0.700 174.805 175.510 -0.008 0.000 1.174 1016 N CA 0.154 53.235 53.050 0.051 0.000 1.096 1016 N CB 0.477 38.994 38.487 0.051 0.000 1.403 1016 N HN 0.453 nan 8.380 nan 0.000 0.522 1017 Q N -0.273 119.513 119.800 -0.024 0.000 2.426 1017 Q HA 0.822 5.162 4.340 0.000 0.000 0.278 1017 Q C -1.613 174.316 176.000 -0.118 0.000 1.007 1017 Q CA -1.118 54.647 55.803 -0.064 0.000 0.850 1017 Q CB 1.904 30.595 28.738 -0.077 0.000 1.427 1017 Q HN 0.216 nan 8.270 nan 0.000 0.391 1018 A N 0.670 123.387 122.820 -0.171 0.000 2.594 1018 A HA 1.039 5.359 4.320 0.000 0.000 0.307 1018 A C -1.119 176.262 177.584 -0.338 0.000 1.203 1018 A CA -0.323 51.567 52.037 -0.244 0.000 0.644 1018 A CB 1.420 20.378 19.000 -0.070 0.000 1.349 1018 A HN 1.305 nan 8.150 nan 0.000 0.510 1019 G N -1.896 106.789 108.800 -0.193 0.000 2.655 1019 G HA2 0.810 4.770 3.960 0.000 0.000 0.296 1019 G HA3 0.810 4.770 3.960 0.000 0.000 0.296 1019 G C -0.830 174.055 174.900 -0.026 0.000 1.485 1019 G CA 0.601 45.599 45.100 -0.169 0.000 0.869 1019 G HN 2.096 nan 8.290 nan 0.000 0.540 1020 A N -0.085 122.748 122.820 0.022 0.000 2.564 1020 A HA 0.973 5.294 4.320 0.000 0.000 0.288 1020 A C -1.967 175.629 177.584 0.020 0.000 1.164 1020 A CA -0.816 51.252 52.037 0.051 0.000 0.712 1020 A CB 2.165 21.207 19.000 0.070 0.000 1.303 1020 A HN 2.092 nan 8.150 nan 0.000 0.418 1021 L N 0.603 121.819 121.223 -0.012 0.000 2.580 1021 L HA 0.691 5.031 4.340 0.000 0.000 0.266 1021 L C -2.112 174.643 176.870 -0.193 0.000 0.955 1021 L CA -0.484 54.295 54.840 -0.103 0.000 0.886 1021 L CB 1.647 43.645 42.059 -0.101 0.000 1.263 1021 L HN 0.878 nan 8.230 nan 0.000 0.406 1022 L N 4.652 125.727 121.223 -0.247 0.000 2.349 1022 L HA 0.644 4.984 4.340 0.000 0.000 0.278 1022 L C -1.388 175.278 176.870 -0.341 0.000 0.996 1022 L CA -0.016 54.694 54.840 -0.218 0.000 0.825 1022 L CB 1.434 43.452 42.059 -0.068 0.000 1.243 1022 L HN 0.755 nan 8.230 nan 0.000 0.412 1023 H N 3.378 122.413 119.070 -0.059 0.000 2.469 1023 H HA 0.718 5.274 4.556 0.000 0.000 0.342 1023 H C -0.899 174.272 175.328 -0.261 0.000 1.115 1023 H CA -1.015 54.910 56.048 -0.205 0.000 1.204 1023 H CB 2.148 31.715 29.762 -0.324 0.000 1.492 1023 H HN 0.464 nan 8.280 nan 0.000 0.499 1024 V N 4.381 124.206 119.914 -0.149 0.000 2.334 1024 V HA 0.138 4.258 4.120 0.000 0.000 0.281 1024 V C -0.508 175.412 176.094 -0.290 0.000 1.016 1024 V CA -0.801 61.420 62.300 -0.131 0.000 0.832 1024 V CB -0.322 31.523 31.823 0.037 0.000 0.999 1024 V HN 0.687 nan 8.190 nan 0.000 0.439 1025 Y N 2.127 122.470 120.300 0.071 0.000 2.357 1025 Y HA 0.103 4.653 4.550 0.000 0.000 0.340 1025 Y C 2.179 178.042 175.900 -0.063 0.000 1.260 1025 Y CA 0.256 58.349 58.100 -0.010 0.000 1.425 1025 Y CB 0.794 39.248 38.460 -0.011 0.000 1.326 1025 Y HN 0.761 nan 8.280 nan 0.000 0.580 1026 T N -2.787 111.791 114.554 0.041 0.000 3.118 1026 T HA -0.174 4.176 4.350 0.000 0.000 0.269 1026 T C 0.709 175.368 174.700 -0.069 0.000 1.166 1026 T CA 1.203 63.226 62.100 -0.129 0.000 1.073 1026 T CB -0.294 68.400 68.868 -0.289 0.000 0.884 1026 T HN 0.776 nan 8.240 nan 0.000 0.550 1027 D N -0.064 120.347 120.400 0.018 0.000 2.431 1027 D HA 0.248 4.888 4.640 0.000 0.000 0.213 1027 D C 1.559 177.905 176.300 0.076 0.000 1.130 1027 D CA 0.417 54.433 54.000 0.027 0.000 0.834 1027 D CB -0.185 40.627 40.800 0.020 0.000 0.985 1027 D HN 0.441 nan 8.370 nan 0.000 0.504 1028 G N 0.769 109.630 108.800 0.102 0.000 2.317 1028 G HA2 -0.286 3.674 3.960 0.000 0.000 0.227 1028 G HA3 -0.286 3.674 3.960 0.000 0.000 0.227 1028 G C 0.417 175.541 174.900 0.374 0.000 1.042 1028 G CA 0.250 45.492 45.100 0.236 0.000 0.623 1028 G HN 0.694 nan 8.290 nan 0.000 0.509 1029 S N 0.339 116.198 115.700 0.266 0.000 2.564 1029 S HA 0.631 5.101 4.470 0.000 0.000 0.278 1029 S C 0.161 174.931 174.600 0.284 0.000 1.333 1029 S CA -0.210 58.144 58.200 0.257 0.000 1.048 1029 S CB 2.589 65.913 63.200 0.206 0.000 0.900 1029 S HN 0.980 nan 8.310 nan 0.000 0.505 1030 V N 2.792 122.839 119.914 0.222 0.000 2.532 1030 V HA 0.392 4.512 4.120 0.000 0.000 0.295 1030 V C -0.394 175.817 176.094 0.196 0.000 1.041 1030 V CA -0.805 61.602 62.300 0.179 0.000 0.926 1030 V CB 1.520 33.418 31.823 0.125 0.000 0.992 1030 V HN 0.807 nan 8.190 nan 0.000 0.457 1031 L N 6.006 127.330 121.223 0.169 0.000 2.335 1031 L HA 0.470 4.810 4.340 0.000 0.000 0.268 1031 L C -0.489 176.455 176.870 0.123 0.000 1.037 1031 L CA 0.351 55.316 54.840 0.208 0.000 0.895 1031 L CB 0.603 42.866 42.059 0.340 0.000 1.266 1031 L HN 0.500 nan 8.230 nan 0.000 0.439 1032 L N 3.046 124.336 121.223 0.111 0.000 2.292 1032 L HA 0.522 4.862 4.340 0.000 0.000 0.284 1032 L C 0.095 177.036 176.870 0.118 0.000 1.065 1032 L CA -0.012 54.872 54.840 0.073 0.000 0.806 1032 L CB 1.641 43.730 42.059 0.051 0.000 1.175 1032 L HN 0.600 nan 8.230 nan 0.000 0.431 1033 T N 3.145 117.769 114.554 0.115 0.000 2.903 1033 T HA 0.623 4.973 4.350 0.000 0.000 0.299 1033 T C -1.007 173.837 174.700 0.239 0.000 1.093 1033 T CA -0.526 61.692 62.100 0.197 0.000 1.002 1033 T CB 1.227 70.153 68.868 0.097 0.000 1.127 1033 T HN 0.811 nan 8.240 nan 0.000 0.488 1034 H N 0.236 119.328 119.070 0.036 0.000 2.966 1034 H HA 0.472 5.028 4.556 0.000 0.000 0.330 1034 H C 1.099 176.426 175.328 -0.001 0.000 1.292 1034 H CA -0.299 55.754 56.048 0.007 0.000 1.127 1034 H CB 1.009 30.774 29.762 0.006 0.000 1.863 1034 H HN 0.774 nan 8.280 nan 0.000 0.543 1035 G N -0.245 108.553 108.800 -0.003 0.000 2.450 1035 G HA2 0.024 3.984 3.960 0.000 0.000 0.220 1035 G HA3 0.024 3.984 3.960 0.000 0.000 0.220 1035 G C 0.698 175.486 174.900 -0.186 0.000 1.130 1035 G CA 0.731 45.771 45.100 -0.101 0.000 0.760 1035 G HN 0.830 nan 8.290 nan 0.000 0.557 1036 G N -1.003 107.651 108.800 -0.244 0.000 2.461 1036 G HA2 0.528 4.488 3.960 0.000 0.000 0.329 1036 G HA3 0.528 4.488 3.960 0.000 0.000 0.329 1036 G C -0.450 174.258 174.900 -0.320 0.000 1.170 1036 G CA 0.227 45.217 45.100 -0.183 0.000 0.935 1036 G HN 0.436 nan 8.290 nan 0.000 0.492 1037 T N -2.006 112.419 114.554 -0.214 0.000 2.887 1037 T HA 0.585 4.935 4.350 0.000 0.000 0.288 1037 T C -0.594 173.998 174.700 -0.180 0.000 1.021 1037 T CA -0.784 61.207 62.100 -0.181 0.000 1.000 1037 T CB 2.360 71.159 68.868 -0.115 0.000 1.034 1037 T HN 0.521 nan 8.240 nan 0.000 0.467 1038 E N 1.872 122.010 120.200 -0.103 0.000 2.115 1038 E HA 0.396 4.746 4.350 0.000 0.000 0.282 1038 E C 0.056 176.629 176.600 -0.045 0.000 0.987 1038 E CA -0.420 55.936 56.400 -0.073 0.000 0.797 1038 E CB 0.728 30.485 29.700 0.095 0.000 1.086 1038 E HN 0.684 nan 8.360 nan 0.000 0.397 1039 M N 3.719 123.267 119.600 -0.086 0.000 2.475 1039 M HA 0.286 4.766 4.480 0.000 0.000 0.261 1039 M C 0.590 176.844 176.300 -0.077 0.000 1.177 1039 M CA 0.404 55.636 55.300 -0.113 0.000 0.979 1039 M CB 0.656 33.127 32.600 -0.216 0.000 1.482 1039 M HN 0.796 nan 8.290 nan 0.000 0.484 1040 G N 2.648 111.462 108.800 0.022 0.000 2.545 1040 G HA2 -0.180 3.780 3.960 0.000 0.000 0.279 1040 G HA3 -0.180 3.780 3.960 0.000 0.000 0.279 1040 G C -0.009 174.928 174.900 0.062 0.000 1.131 1040 G CA 0.311 45.469 45.100 0.096 0.000 1.100 1040 G HN 0.618 nan 8.290 nan 0.000 0.525 1041 Q N -0.515 119.324 119.800 0.064 0.000 1.859 1041 Q HA 0.341 4.681 4.340 0.000 0.000 0.180 1041 Q C 1.126 177.104 176.000 -0.036 0.000 0.765 1041 Q CA 0.866 56.662 55.803 -0.012 0.000 0.888 1041 Q CB 0.155 28.843 28.738 -0.084 0.000 1.230 1041 Q HN 2.171 nan 8.270 nan 0.000 0.402 1042 G N 2.288 111.051 108.800 -0.062 0.000 2.143 1042 G HA2 -0.325 3.635 3.960 0.000 0.000 0.248 1042 G HA3 -0.325 3.635 3.960 0.000 0.000 0.248 1042 G C 0.559 175.354 174.900 -0.174 0.000 0.991 1042 G CA 0.470 45.447 45.100 -0.205 0.000 0.689 1042 G HN 0.318 nan 8.290 nan 0.000 0.522 1043 L N 0.226 121.353 121.223 -0.159 0.000 2.042 1043 L HA 0.013 4.353 4.340 0.000 0.000 0.210 1043 L C 2.393 179.170 176.870 -0.154 0.000 1.076 1043 L CA 3.069 57.809 54.840 -0.167 0.000 0.749 1043 L CB -0.831 41.100 42.059 -0.213 0.000 0.893 1043 L HN 0.561 nan 8.230 nan 0.000 0.432 1044 H N -2.042 116.966 119.070 -0.104 0.000 2.457 1044 H HA -0.083 4.473 4.556 0.000 0.000 0.294 1044 H C 1.766 176.992 175.328 -0.170 0.000 1.064 1044 H CA 1.525 57.512 56.048 -0.102 0.000 1.330 1044 H CB 0.149 29.849 29.762 -0.103 0.000 1.395 1044 H HN 0.393 nan 8.280 nan 0.000 0.541 1045 T N -0.293 114.195 114.554 -0.109 0.000 3.014 1045 T HA -0.020 4.330 4.350 0.000 0.000 0.263 1045 T C 1.670 176.307 174.700 -0.105 0.000 1.078 1045 T CA 0.670 62.687 62.100 -0.138 0.000 1.135 1045 T CB 0.170 68.913 68.868 -0.207 0.000 0.895 1045 T HN 0.270 nan 8.240 nan 0.000 0.480 1046 K N 0.726 121.063 120.400 -0.105 0.000 2.044 1046 K HA 0.138 4.458 4.320 0.000 0.000 0.204 1046 K C 2.322 178.866 176.600 -0.093 0.000 1.049 1046 K CA 0.788 57.021 56.287 -0.090 0.000 0.945 1046 K CB -0.137 32.314 32.500 -0.082 0.000 0.724 1046 K HN 0.114 nan 8.250 nan 0.000 0.440 1047 M N 0.745 120.271 119.600 -0.124 0.000 2.106 1047 M HA -0.173 4.307 4.480 0.000 0.000 0.259 1047 M C 2.254 178.485 176.300 -0.115 0.000 1.068 1047 M CA 1.439 56.634 55.300 -0.174 0.000 1.100 1047 M CB -0.900 31.471 32.600 -0.382 0.000 1.351 1047 M HN -0.029 nan 8.290 nan 0.000 0.404 1048 V N 0.380 120.241 119.914 -0.088 0.000 2.237 1048 V HA -0.317 3.803 4.120 0.000 0.000 0.245 1048 V C 2.463 178.511 176.094 -0.077 0.000 1.046 1048 V CA 1.821 64.074 62.300 -0.078 0.000 1.007 1048 V CB -0.708 31.067 31.823 -0.080 0.000 0.638 1048 V HN 0.515 nan 8.190 nan 0.000 0.445 1049 Q N -0.757 118.995 119.800 -0.080 0.000 2.103 1049 Q HA -0.283 4.057 4.340 0.000 0.000 0.213 1049 Q C 2.244 178.183 176.000 -0.102 0.000 1.008 1049 Q CA 2.608 58.357 55.803 -0.090 0.000 0.879 1049 Q CB -0.601 28.083 28.738 -0.090 0.000 0.946 1049 Q HN 0.557 nan 8.270 nan 0.000 0.413 1050 V N 0.796 120.668 119.914 -0.071 0.000 2.233 1050 V HA -0.330 3.790 4.120 0.000 0.000 0.247 1050 V C 2.279 178.386 176.094 0.022 0.000 1.050 1050 V CA 2.055 64.351 62.300 -0.008 0.000 1.010 1050 V CB -1.107 30.780 31.823 0.106 0.000 0.637 1050 V HN 0.502 nan 8.190 nan 0.000 0.444 1051 A N -0.349 122.469 122.820 -0.004 0.000 2.024 1051 A HA -0.243 4.077 4.320 0.000 0.000 0.220 1051 A C 2.556 180.098 177.584 -0.068 0.000 1.164 1051 A CA 2.281 54.301 52.037 -0.029 0.000 0.643 1051 A CB -0.705 18.271 19.000 -0.040 0.000 0.806 1051 A HN 0.624 nan 8.150 nan 0.000 0.451 1052 S N -0.418 115.232 115.700 -0.083 0.000 2.355 1052 S HA -0.204 4.266 4.470 0.000 0.000 0.222 1052 S C 2.205 176.740 174.600 -0.108 0.000 1.031 1052 S CA 1.381 59.516 58.200 -0.109 0.000 0.993 1052 S CB -0.414 62.725 63.200 -0.102 0.000 0.859 1052 S HN 0.633 nan 8.310 nan 0.000 0.453 1053 R N 0.646 121.085 120.500 -0.101 0.000 2.066 1053 R HA 0.032 4.372 4.340 0.000 0.000 0.232 1053 R C 2.483 178.768 176.300 -0.025 0.000 1.131 1053 R CA 1.365 57.408 56.100 -0.094 0.000 0.955 1053 R CB -0.862 29.314 30.300 -0.206 0.000 0.851 1053 R HN 0.523 nan 8.270 nan 0.000 0.432 1054 A N 0.396 123.225 122.820 0.015 0.000 2.070 1054 A HA -0.106 4.214 4.320 0.000 0.000 0.220 1054 A C 1.843 179.398 177.584 -0.048 0.000 1.159 1054 A CA 1.006 53.045 52.037 0.004 0.000 0.656 1054 A CB -0.129 18.808 19.000 -0.105 0.000 0.800 1054 A HN 0.302 nan 8.150 nan 0.000 0.453 1055 L N -2.110 119.071 121.223 -0.071 0.000 2.463 1055 L HA 0.228 4.568 4.340 0.000 0.000 0.219 1055 L C 0.776 177.593 176.870 -0.089 0.000 1.088 1055 L CA 0.761 55.553 54.840 -0.082 0.000 0.849 1055 L CB 0.023 41.980 42.059 -0.170 0.000 1.012 1055 L HN 0.360 nan 8.230 nan 0.000 0.468 1056 K N 0.761 121.105 120.400 -0.093 0.000 3.218 1056 K HA -0.138 4.182 4.320 0.000 0.000 0.276 1056 K C -0.444 176.083 176.600 -0.122 0.000 1.173 1056 K CA 0.721 56.972 56.287 -0.060 0.000 0.812 1056 K CB -1.608 30.910 32.500 0.029 0.000 1.275 1056 K HN 0.440 nan 8.250 nan 0.000 0.504 1057 I N -3.550 116.877 120.570 -0.240 0.000 2.785 1057 I HA 0.613 4.783 4.170 0.000 0.000 0.302 1057 I C -2.699 173.284 176.117 -0.223 0.000 1.069 1057 I CA -3.027 58.077 61.300 -0.327 0.000 1.045 1057 I CB 2.086 39.690 38.000 -0.660 0.000 1.236 1057 I HN -0.275 nan 8.210 nan 0.000 0.429 1058 P HA 0.066 nan 4.420 nan 0.000 0.271 1058 P C 1.006 178.246 177.300 -0.099 0.000 1.216 1058 P CA -0.031 63.005 63.100 -0.108 0.000 0.776 1058 P CB 0.816 32.469 31.700 -0.078 0.000 0.881 1059 T N 1.152 115.661 114.554 -0.075 0.000 2.649 1059 T HA -0.283 4.067 4.350 0.000 0.000 0.268 1059 T C 1.965 176.642 174.700 -0.040 0.000 1.036 1059 T CA 2.612 64.675 62.100 -0.061 0.000 1.157 1059 T CB -1.076 67.764 68.868 -0.047 0.000 0.861 1059 T HN 0.453 nan 8.240 nan 0.000 0.445 1060 S N 0.535 116.219 115.700 -0.026 0.000 2.428 1060 S HA -0.205 4.266 4.470 0.000 0.000 0.240 1060 S C 2.056 176.664 174.600 0.013 0.000 1.036 1060 S CA 1.804 60.002 58.200 -0.002 0.000 1.009 1060 S CB -0.615 62.584 63.200 -0.003 0.000 0.803 1060 S HN 0.768 nan 8.310 nan 0.000 0.486 1061 K N -0.271 120.120 120.400 -0.014 0.000 2.379 1061 K HA 0.348 4.669 4.320 0.000 0.000 0.194 1061 K C 0.017 176.636 176.600 0.032 0.000 1.031 1061 K CA 0.145 56.432 56.287 0.001 0.000 1.037 1061 K CB 0.173 32.635 32.500 -0.064 0.000 0.824 1061 K HN 0.445 nan 8.250 nan 0.000 0.516 1062 I N 1.055 121.636 120.570 0.018 0.000 2.336 1062 I HA 0.145 4.315 4.170 0.000 0.000 0.292 1062 I C -0.861 175.317 176.117 0.103 0.000 0.991 1062 I CA -0.870 60.459 61.300 0.048 0.000 1.227 1062 I CB 0.878 38.870 38.000 -0.013 0.000 1.366 1062 I HN -0.068 nan 8.210 nan 0.000 0.466 1063 Y N 7.062 127.376 120.300 0.023 0.000 2.409 1063 Y HA 0.660 5.210 4.550 0.000 0.000 0.343 1063 Y C -0.818 175.089 175.900 0.011 0.000 0.973 1063 Y CA -0.707 57.400 58.100 0.013 0.000 1.064 1063 Y CB 1.438 39.912 38.460 0.024 0.000 1.207 1063 Y HN 0.348 nan 8.280 nan 0.000 0.452 1064 I N 4.197 124.561 120.570 -0.344 0.000 2.474 1064 I HA 0.241 4.412 4.170 0.000 0.000 0.294 1064 I C 0.351 176.325 176.117 -0.238 0.000 1.005 1064 I CA -0.248 60.956 61.300 -0.161 0.000 1.113 1064 I CB 2.193 40.051 38.000 -0.236 0.000 1.289 1064 I HN 0.716 nan 8.210 nan 0.000 0.436 1065 S N 4.563 120.298 115.700 0.058 0.000 2.527 1065 S HA 0.231 4.701 4.470 0.000 0.000 0.227 1065 S C 0.160 174.759 174.600 -0.001 0.000 1.059 1065 S CA 0.269 58.556 58.200 0.144 0.000 0.919 1065 S CB 0.275 63.648 63.200 0.289 0.000 0.805 1065 S HN 0.811 nan 8.310 nan 0.000 0.500 1066 E N -1.042 119.145 120.200 -0.022 0.000 2.429 1066 E HA 0.370 4.720 4.350 0.000 0.000 0.277 1066 E C -1.690 174.912 176.600 0.003 0.000 1.130 1066 E CA -1.031 55.363 56.400 -0.009 0.000 0.875 1066 E CB 0.575 30.295 29.700 0.033 0.000 1.443 1066 E HN -0.031 nan 8.360 nan 0.000 0.444 1067 T N 0.842 115.396 114.554 -0.000 0.000 2.829 1067 T HA 0.682 5.032 4.350 0.000 0.000 0.280 1067 T C -0.957 173.722 174.700 -0.036 0.000 0.999 1067 T CA -0.413 61.664 62.100 -0.038 0.000 0.983 1067 T CB 1.374 70.198 68.868 -0.074 0.000 0.968 1067 T HN 0.575 nan 8.240 nan 0.000 0.446 1068 S N 0.897 116.574 115.700 -0.039 0.000 2.588 1068 S HA 0.512 4.982 4.470 0.000 0.000 0.269 1068 S C 0.285 174.861 174.600 -0.040 0.000 1.157 1068 S CA -0.408 57.768 58.200 -0.039 0.000 0.824 1068 S CB 1.498 64.684 63.200 -0.023 0.000 1.126 1068 S HN 0.781 nan 8.310 nan 0.000 0.464 1069 T N 0.281 114.805 114.554 -0.049 0.000 3.284 1069 T HA 0.337 4.687 4.350 0.000 0.000 0.249 1069 T C 0.433 175.113 174.700 -0.032 0.000 0.944 1069 T CA 0.277 62.348 62.100 -0.047 0.000 0.919 1069 T CB -1.788 67.044 68.868 -0.060 0.000 1.089 1069 T HN 0.814 nan 8.240 nan 0.000 0.576 1070 N N -1.384 117.306 118.700 -0.016 0.000 2.036 1070 N HA -0.030 4.710 4.740 0.000 0.000 0.224 1070 N C 1.123 176.646 175.510 0.021 0.000 1.381 1070 N CA 0.129 53.179 53.050 0.001 0.000 0.746 1070 N CB 0.210 38.697 38.487 0.001 0.000 1.213 1070 N HN 0.303 nan 8.380 nan 0.000 0.524 1071 T N -2.216 112.350 114.554 0.020 0.000 3.039 1071 T HA 0.154 4.504 4.350 0.000 0.000 0.250 1071 T C 0.565 175.278 174.700 0.021 0.000 1.052 1071 T CA 0.386 62.509 62.100 0.038 0.000 1.125 1071 T CB 0.507 69.404 68.868 0.049 0.000 0.908 1071 T HN 0.083 nan 8.240 nan 0.000 0.473 1072 V N 3.391 123.305 119.914 0.000 0.000 2.674 1072 V HA 0.502 4.622 4.120 0.000 0.000 0.279 1072 V C -3.041 173.036 176.094 -0.029 0.000 1.051 1072 V CA -1.838 60.456 62.300 -0.010 0.000 0.912 1072 V CB 2.155 33.971 31.823 -0.012 0.000 1.044 1072 V HN 0.228 nan 8.190 nan 0.000 0.464 1073 P HA 0.593 nan 4.420 nan 0.000 0.283 1073 P C -0.525 176.746 177.300 -0.048 0.000 1.278 1073 P CA -0.173 62.908 63.100 -0.032 0.000 0.834 1073 P CB 0.831 32.521 31.700 -0.016 0.000 1.150 1074 N N -2.089 116.577 118.700 -0.057 0.000 2.862 1074 N HA -0.079 4.661 4.740 0.000 0.000 0.246 1074 N C -0.502 174.952 175.510 -0.092 0.000 1.111 1074 N CA 0.984 53.994 53.050 -0.068 0.000 0.688 1074 N CB -2.432 36.022 38.487 -0.054 0.000 1.018 1074 N HN 0.672 nan 8.380 nan 0.000 0.556 1075 T N -2.649 111.850 114.554 -0.091 0.000 2.882 1075 T HA 0.621 4.971 4.350 0.000 0.000 0.287 1075 T C 0.686 175.329 174.700 -0.094 0.000 0.992 1075 T CA -0.595 61.446 62.100 -0.099 0.000 1.076 1075 T CB 1.899 70.714 68.868 -0.089 0.000 0.961 1075 T HN 0.094 nan 8.240 nan 0.000 0.490 1076 S N 3.906 119.543 115.700 -0.104 0.000 2.585 1076 S HA 0.321 4.791 4.470 0.000 0.000 0.273 1076 S C -2.034 172.541 174.600 -0.042 0.000 1.339 1076 S CA -0.794 57.331 58.200 -0.125 0.000 1.028 1076 S CB -0.198 62.841 63.200 -0.268 0.000 0.906 1076 S HN 0.635 nan 8.310 nan 0.000 0.528 1077 P HA 0.016 nan 4.420 nan 0.000 0.267 1077 P C -0.522 176.852 177.300 0.125 0.000 1.195 1077 P CA 0.229 63.370 63.100 0.069 0.000 0.773 1077 P CB 0.113 31.909 31.700 0.160 0.000 0.837 1078 T N 2.089 116.671 114.554 0.047 0.000 2.992 1078 T HA 0.463 4.813 4.350 0.000 0.000 0.299 1078 T C 0.546 175.269 174.700 0.038 0.000 1.027 1078 T CA 0.225 62.341 62.100 0.028 0.000 1.001 1078 T CB -0.097 68.743 68.868 -0.047 0.000 1.005 1078 T HN 0.418 nan 8.240 nan 0.000 0.599 1079 A N 2.735 125.621 122.820 0.110 0.000 2.364 1079 A HA 0.852 5.172 4.320 0.000 0.000 0.193 1079 A C 1.023 178.569 177.584 -0.063 0.000 1.530 1079 A CA -0.037 52.041 52.037 0.069 0.000 1.613 1079 A CB -0.375 18.770 19.000 0.242 0.000 1.767 1079 A HN 0.619 nan 8.150 nan 0.000 0.657 1080 A N -0.172 122.473 122.820 -0.290 0.000 3.033 1080 A HA 0.523 4.843 4.320 0.000 0.000 0.250 1080 A C 0.804 178.290 177.584 -0.163 0.000 1.633 1080 A CA 0.914 52.807 52.037 -0.239 0.000 1.290 1080 A CB -1.337 17.538 19.000 -0.210 0.000 1.048 1080 A HN 1.522 nan 8.150 nan 0.000 0.648 1081 S N -2.611 113.027 115.700 -0.103 0.000 2.205 1081 S HA -0.252 4.218 4.470 0.000 0.000 0.252 1081 S C 1.238 175.815 174.600 -0.038 0.000 1.223 1081 S CA 1.318 59.475 58.200 -0.072 0.000 1.349 1081 S CB -2.257 60.888 63.200 -0.092 0.000 1.671 1081 S HN 1.711 nan 8.310 nan 0.000 0.604 1082 V N 1.226 121.109 119.914 -0.051 0.000 3.235 1082 V HA 0.039 4.159 4.120 0.000 0.000 0.259 1082 V C 2.202 178.340 176.094 0.073 0.000 1.133 1082 V CA 1.664 63.977 62.300 0.022 0.000 1.128 1082 V CB -0.599 31.242 31.823 0.030 0.000 0.757 1082 V HN 0.935 nan 8.190 nan 0.000 0.469 1083 S N 2.299 118.041 115.700 0.069 0.000 2.468 1083 S HA -0.395 4.076 4.470 0.000 0.000 0.261 1083 S C 1.982 176.606 174.600 0.040 0.000 1.127 1083 S CA 2.478 60.715 58.200 0.063 0.000 1.092 1083 S CB -1.359 61.854 63.200 0.022 0.000 0.945 1083 S HN 1.331 nan 8.310 nan 0.000 0.463 1084 A N 2.873 125.706 122.820 0.021 0.000 1.826 1084 A HA -0.050 4.270 4.320 0.000 0.000 0.214 1084 A C 1.985 179.580 177.584 0.020 0.000 1.212 1084 A CA 1.496 53.538 52.037 0.007 0.000 0.605 1084 A CB -1.166 17.838 19.000 0.006 0.000 0.861 1084 A HN 0.544 nan 8.150 nan 0.000 0.447 1085 D N 0.828 121.257 120.400 0.049 0.000 2.126 1085 D HA -0.216 4.424 4.640 0.000 0.000 0.190 1085 D C 1.881 178.200 176.300 0.031 0.000 1.001 1085 D CA 1.740 55.770 54.000 0.051 0.000 0.841 1085 D CB -0.800 40.077 40.800 0.129 0.000 0.949 1085 D HN 0.487 nan 8.370 nan 0.000 0.446 1086 L N 0.340 121.626 121.223 0.105 0.000 2.083 1086 L HA -0.090 4.250 4.340 0.000 0.000 0.209 1086 L C 1.968 178.890 176.870 0.086 0.000 1.083 1086 L CA 1.049 55.984 54.840 0.157 0.000 0.752 1086 L CB -0.519 41.659 42.059 0.198 0.000 0.899 1086 L HN 0.052 nan 8.230 nan 0.000 0.433 1087 N N 0.447 119.180 118.700 0.055 0.000 2.395 1087 N HA -0.045 4.696 4.740 0.000 0.000 0.175 1087 N C 1.997 177.491 175.510 -0.027 0.000 1.029 1087 N CA 1.080 54.153 53.050 0.038 0.000 0.897 1087 N CB -0.106 38.445 38.487 0.106 0.000 0.991 1087 N HN 0.343 nan 8.380 nan 0.000 0.441 1088 G N 1.534 110.309 108.800 -0.040 0.000 2.545 1088 G HA2 -0.336 3.624 3.960 0.000 0.000 0.222 1088 G HA3 -0.336 3.624 3.960 0.000 0.000 0.222 1088 G C 1.615 176.474 174.900 -0.068 0.000 1.126 1088 G CA 1.123 46.196 45.100 -0.046 0.000 0.754 1088 G HN 0.295 nan 8.290 nan 0.000 0.583 1089 Q N -0.153 119.554 119.800 -0.154 0.000 2.089 1089 Q HA 0.353 4.693 4.340 0.000 0.000 0.195 1089 Q C 2.856 178.829 176.000 -0.044 0.000 0.963 1089 Q CA 1.395 57.024 55.803 -0.289 0.000 0.834 1089 Q CB -0.405 27.773 28.738 -0.934 0.000 0.906 1089 Q HN 0.381 nan 8.270 nan 0.000 0.452 1090 A N -0.408 122.430 122.820 0.030 0.000 1.883 1090 A HA -0.171 4.149 4.320 0.000 0.000 0.217 1090 A C 2.224 179.859 177.584 0.084 0.000 1.186 1090 A CA 1.720 53.815 52.037 0.096 0.000 0.624 1090 A CB -1.015 18.027 19.000 0.070 0.000 0.822 1090 A HN 0.264 nan 8.150 nan 0.000 0.444 1091 V N -1.425 118.516 119.914 0.045 0.000 2.282 1091 V HA -0.332 3.788 4.120 0.000 0.000 0.249 1091 V C 2.299 178.443 176.094 0.083 0.000 1.057 1091 V CA 2.297 64.615 62.300 0.031 0.000 1.032 1091 V CB -1.054 30.755 31.823 -0.023 0.000 0.645 1091 V HN 0.711 nan 8.190 nan 0.000 0.447 1092 Y N 1.105 121.389 120.300 -0.026 0.000 2.053 1092 Y HA -0.317 4.233 4.550 0.000 0.000 0.277 1092 Y C 2.463 178.363 175.900 0.001 0.000 1.159 1092 Y CA 2.165 60.254 58.100 -0.019 0.000 1.125 1092 Y CB -0.566 37.844 38.460 -0.083 0.000 0.969 1092 Y HN 0.169 nan 8.280 nan 0.000 0.492 1093 A N 0.445 123.422 122.820 0.261 0.000 1.903 1093 A HA -0.289 4.031 4.320 0.000 0.000 0.219 1093 A C 2.368 180.004 177.584 0.087 0.000 1.191 1093 A CA 2.453 54.609 52.037 0.199 0.000 0.638 1093 A CB -1.639 17.477 19.000 0.193 0.000 0.823 1093 A HN 0.668 nan 8.150 nan 0.000 0.451 1094 A N -1.386 121.476 122.820 0.069 0.000 1.898 1094 A HA -0.117 4.203 4.320 0.000 0.000 0.216 1094 A C 2.325 179.913 177.584 0.008 0.000 1.181 1094 A CA 1.523 53.584 52.037 0.041 0.000 0.620 1094 A CB -1.293 17.728 19.000 0.035 0.000 0.819 1094 A HN 0.605 nan 8.150 nan 0.000 0.442 1095 C N -0.737 118.547 119.300 -0.028 0.000 2.393 1095 C HA -0.164 4.296 4.460 0.000 0.000 0.276 1095 C C 2.943 177.885 174.990 -0.080 0.000 1.215 1095 C CA 1.376 60.352 59.018 -0.070 0.000 1.743 1095 C CB -1.125 26.523 27.740 -0.152 0.000 2.044 1095 C HN 0.612 nan 8.230 nan 0.000 0.464 1096 Q N 0.102 119.819 119.800 -0.139 0.000 2.135 1096 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 1096 Q C 2.139 178.130 176.000 -0.015 0.000 0.981 1096 Q CA 2.288 58.032 55.803 -0.098 0.000 0.856 1096 Q CB -1.025 27.667 28.738 -0.077 0.000 0.902 1096 Q HN 0.774 nan 8.270 nan 0.000 0.425 1097 T N 0.431 114.991 114.554 0.010 0.000 2.951 1097 T HA -0.012 4.338 4.350 0.000 0.000 0.268 1097 T C 1.988 176.706 174.700 0.029 0.000 1.073 1097 T CA 0.524 62.640 62.100 0.027 0.000 1.134 1097 T CB -0.055 68.835 68.868 0.036 0.000 0.884 1097 T HN 0.108 nan 8.240 nan 0.000 0.479 1098 I N 0.512 121.102 120.570 0.033 0.000 2.286 1098 I HA -0.015 4.155 4.170 0.000 0.000 0.245 1098 I C 1.916 178.071 176.117 0.063 0.000 1.104 1098 I CA 0.991 62.324 61.300 0.055 0.000 1.397 1098 I CB -0.104 37.946 38.000 0.083 0.000 1.072 1098 I HN 0.152 nan 8.210 nan 0.000 0.417 1099 L N 0.016 121.274 121.223 0.058 0.000 2.291 1099 L HA -0.143 4.197 4.340 0.000 0.000 0.214 1099 L C 2.288 179.173 176.870 0.025 0.000 1.120 1099 L CA 0.869 55.745 54.840 0.060 0.000 0.799 1099 L CB -0.490 41.595 42.059 0.043 0.000 0.925 1099 L HN 0.074 nan 8.230 nan 0.000 0.446 1100 K N 0.361 120.774 120.400 0.020 0.000 2.211 1100 K HA -0.115 4.205 4.320 0.000 0.000 0.203 1100 K C 2.211 178.828 176.600 0.028 0.000 1.050 1100 K CA 1.193 57.489 56.287 0.015 0.000 0.945 1100 K CB 0.040 32.550 32.500 0.016 0.000 0.732 1100 K HN 0.084 nan 8.250 nan 0.000 0.451 1101 R N -0.571 119.953 120.500 0.040 0.000 2.119 1101 R HA 0.122 4.462 4.340 0.000 0.000 0.222 1101 R C 1.944 178.304 176.300 0.099 0.000 1.088 1101 R CA 0.943 57.078 56.100 0.057 0.000 0.984 1101 R CB -0.005 30.317 30.300 0.036 0.000 0.884 1101 R HN 0.161 nan 8.270 nan 0.000 0.447 1102 L N 0.147 121.409 121.223 0.066 0.000 2.162 1102 L HA -0.062 4.278 4.340 0.000 0.000 0.205 1102 L C 2.145 179.039 176.870 0.040 0.000 1.086 1102 L CA 0.638 55.522 54.840 0.074 0.000 0.778 1102 L CB -0.395 41.665 42.059 0.001 0.000 0.928 1102 L HN 0.144 nan 8.230 nan 0.000 0.446 1103 E N 0.495 120.669 120.200 -0.043 0.000 2.240 1103 E HA -0.295 4.055 4.350 0.000 0.000 0.236 1103 E C -0.197 176.302 176.600 -0.168 0.000 1.085 1103 E CA 2.541 58.867 56.400 -0.123 0.000 0.979 1103 E CB -1.652 27.998 29.700 -0.083 0.000 0.845 1103 E HN 0.353 nan 8.360 nan 0.000 0.483 1104 P HA -0.173 nan 4.420 nan 0.000 0.217 1104 P C 0.959 177.962 177.300 -0.495 0.000 1.151 1104 P CA 1.582 64.449 63.100 -0.388 0.000 0.849 1104 P CB -0.204 31.155 31.700 -0.568 0.000 0.787 1105 Y N -1.509 118.684 120.300 -0.178 0.000 2.490 1105 Y HA 0.103 4.653 4.550 0.000 0.000 0.285 1105 Y C 2.320 178.009 175.900 -0.351 0.000 1.117 1105 Y CA 0.491 58.502 58.100 -0.150 0.000 1.262 1105 Y CB -0.556 37.874 38.460 -0.050 0.000 1.043 1105 Y HN -0.149 nan 8.280 nan 0.000 0.553 1106 K N 1.050 121.110 120.400 -0.567 0.000 2.007 1106 K HA -0.178 4.142 4.320 0.000 0.000 0.206 1106 K C 2.013 178.384 176.600 -0.382 0.000 1.047 1106 K CA 1.146 56.815 56.287 -1.030 0.000 0.937 1106 K CB -0.063 31.794 32.500 -1.073 0.000 0.718 1106 K HN 0.068 nan 8.250 nan 0.000 0.438 1107 K N 1.400 121.637 120.400 -0.271 0.000 2.030 1107 K HA -0.197 4.123 4.320 0.000 0.000 0.222 1107 K C 1.826 178.378 176.600 -0.081 0.000 1.056 1107 K CA 2.119 58.317 56.287 -0.148 0.000 0.957 1107 K CB -0.059 32.350 32.500 -0.151 0.000 0.727 1107 K HN 0.054 nan 8.250 nan 0.000 0.452 1108 K N -0.404 119.942 120.400 -0.090 0.000 2.442 1108 K HA -0.112 4.209 4.320 0.000 0.000 0.198 1108 K C 0.353 176.984 176.600 0.051 0.000 1.044 1108 K CA 0.914 57.182 56.287 -0.030 0.000 0.948 1108 K CB -0.095 32.371 32.500 -0.056 0.000 0.762 1108 K HN 0.154 nan 8.250 nan 0.000 0.472 1109 N N -0.396 118.371 118.700 0.112 0.000 2.666 1109 N HA 0.081 4.821 4.740 0.000 0.000 0.253 1109 N C -2.604 173.105 175.510 0.331 0.000 1.621 1109 N CA -1.389 51.790 53.050 0.216 0.000 0.785 1109 N CB 0.875 39.533 38.487 0.285 0.000 1.332 1109 N HN -0.195 nan 8.380 nan 0.000 0.514 1110 P HA 0.091 nan 4.420 nan 0.000 0.249 1110 P C 0.075 177.565 177.300 0.318 0.000 1.241 1110 P CA 0.504 63.757 63.100 0.254 0.000 0.781 1110 P CB -0.119 31.647 31.700 0.110 0.000 1.088 1111 S N -2.117 113.737 115.700 0.257 0.000 2.651 1111 S HA 0.497 4.967 4.470 0.000 0.000 0.246 1111 S C 0.811 175.478 174.600 0.113 0.000 1.039 1111 S CA -0.546 57.760 58.200 0.177 0.000 1.013 1111 S CB -0.030 63.234 63.200 0.107 0.000 0.861 1111 S HN 0.111 nan 8.310 nan 0.000 0.485 1112 G N 1.404 110.283 108.800 0.131 0.000 2.552 1112 G HA2 0.574 4.534 3.960 0.000 0.000 0.318 1112 G HA3 0.574 4.534 3.960 0.000 0.000 0.318 1112 G C -0.149 174.479 174.900 -0.454 0.000 1.240 1112 G CA -0.639 44.401 45.100 -0.101 0.000 1.002 1112 G HN 0.472 nan 8.290 nan 0.000 0.493 1113 S N -0.430 115.006 115.700 -0.440 0.000 2.589 1113 S HA -0.005 4.465 4.470 0.000 0.000 0.265 1113 S C 1.002 175.093 174.600 -0.847 0.000 1.342 1113 S CA -0.415 57.504 58.200 -0.468 0.000 1.005 1113 S CB 0.990 64.054 63.200 -0.227 0.000 0.909 1113 S HN 0.795 nan 8.310 nan 0.000 0.555 1114 W N 1.700 122.584 121.300 -0.694 0.000 2.374 1114 W HA -0.121 4.540 4.660 0.000 0.000 0.288 1114 W C 0.781 177.179 176.519 -0.202 0.000 1.218 1114 W CA 1.693 58.764 57.345 -0.457 0.000 1.245 1114 W CB -0.582 28.793 29.460 -0.142 0.000 1.126 1114 W HN 0.770 nan 8.180 nan 0.000 0.545 1115 E N 1.038 121.143 120.200 -0.159 0.000 2.110 1115 E HA -0.188 4.162 4.350 0.000 0.000 0.193 1115 E C 1.594 178.071 176.600 -0.204 0.000 0.988 1115 E CA 1.859 58.160 56.400 -0.165 0.000 0.804 1115 E CB -0.795 28.880 29.700 -0.042 0.000 0.745 1115 E HN 0.124 nan 8.360 nan 0.000 0.458 1116 D N -0.393 119.858 120.400 -0.250 0.000 2.092 1116 D HA -0.159 4.481 4.640 0.000 0.000 0.193 1116 D C 1.440 177.703 176.300 -0.062 0.000 0.994 1116 D CA 0.926 54.814 54.000 -0.187 0.000 0.828 1116 D CB -0.228 40.416 40.800 -0.260 0.000 0.963 1116 D HN 0.285 nan 8.370 nan 0.000 0.450 1117 W N 0.724 121.961 121.300 -0.104 0.000 2.421 1117 W HA -0.027 4.633 4.660 0.000 0.000 0.270 1117 W C 2.025 178.376 176.519 -0.280 0.000 1.233 1117 W CA 0.195 57.459 57.345 -0.136 0.000 1.226 1117 W CB -1.201 28.192 29.460 -0.112 0.000 1.121 1117 W HN -0.079 nan 8.180 nan 0.000 0.579 1118 V N 0.656 120.457 119.914 -0.188 0.000 2.283 1118 V HA -0.236 3.884 4.120 0.000 0.000 0.239 1118 V C 2.360 178.378 176.094 -0.126 0.000 1.035 1118 V CA 2.640 64.784 62.300 -0.261 0.000 1.018 1118 V CB -1.483 30.100 31.823 -0.400 0.000 0.658 1118 V HN 0.057 nan 8.190 nan 0.000 0.459 1119 T N 0.991 115.493 114.554 -0.086 0.000 2.714 1119 T HA -0.307 4.043 4.350 0.000 0.000 0.268 1119 T C 1.939 176.653 174.700 0.024 0.000 1.036 1119 T CA 1.795 63.892 62.100 -0.004 0.000 1.148 1119 T CB -0.683 68.184 68.868 -0.001 0.000 0.856 1119 T HN 0.545 nan 8.240 nan 0.000 0.462 1120 A N 2.046 124.856 122.820 -0.016 0.000 1.835 1120 A HA 0.202 4.522 4.320 0.000 0.000 0.215 1120 A C 2.838 180.305 177.584 -0.195 0.000 1.199 1120 A CA 2.088 54.114 52.037 -0.017 0.000 0.615 1120 A CB -1.482 17.558 19.000 0.068 0.000 0.838 1120 A HN 0.617 nan 8.150 nan 0.000 0.444 1121 A N -1.633 120.896 122.820 -0.486 0.000 1.908 1121 A HA -0.146 4.175 4.320 0.000 0.000 0.218 1121 A C 2.124 179.531 177.584 -0.295 0.000 1.181 1121 A CA 1.908 53.490 52.037 -0.758 0.000 0.627 1121 A CB -0.940 17.632 19.000 -0.714 0.000 0.818 1121 A HN 0.777 nan 8.150 nan 0.000 0.445 1122 Y N 0.785 120.945 120.300 -0.233 0.000 2.014 1122 Y HA -0.300 4.250 4.550 0.000 0.000 0.272 1122 Y C 2.394 178.236 175.900 -0.096 0.000 1.164 1122 Y CA 2.492 60.513 58.100 -0.133 0.000 1.114 1122 Y CB -0.407 37.997 38.460 -0.093 0.000 0.961 1122 Y HN 0.309 nan 8.280 nan 0.000 0.489 1123 M N -0.450 119.071 119.600 -0.133 0.000 2.446 1123 M HA -0.142 4.338 4.480 0.000 0.000 0.263 1123 M C 1.194 177.393 176.300 -0.169 0.000 1.066 1123 M CA 1.845 57.019 55.300 -0.211 0.000 1.087 1123 M CB -0.486 32.093 32.600 -0.035 0.000 1.406 1123 M HN 0.311 nan 8.290 nan 0.000 0.459 1124 D N 0.106 120.428 120.400 -0.130 0.000 2.346 1124 D HA -0.012 4.628 4.640 0.000 0.000 0.206 1124 D C -0.026 176.225 176.300 -0.083 0.000 1.001 1124 D CA 0.832 54.806 54.000 -0.043 0.000 0.871 1124 D CB 0.527 41.399 40.800 0.121 0.000 0.943 1124 D HN 0.198 nan 8.370 nan 0.000 0.518 1125 T N -0.510 113.941 114.554 -0.171 0.000 4.645 1125 T HA -0.066 4.284 4.350 0.000 0.000 0.325 1125 T C -0.612 174.041 174.700 -0.077 0.000 0.832 1125 T CA 0.369 62.382 62.100 -0.145 0.000 2.080 1125 T CB -1.554 67.245 68.868 -0.115 0.000 1.909 1125 T HN 0.005 nan 8.240 nan 0.000 1.022 1126 V N 0.012 119.874 119.914 -0.087 0.000 2.881 1126 V HA 0.831 4.951 4.120 0.000 0.000 0.316 1126 V C 0.907 176.991 176.094 -0.016 0.000 1.070 1126 V CA -0.990 61.285 62.300 -0.043 0.000 0.976 1126 V CB 2.007 33.788 31.823 -0.070 0.000 1.038 1126 V HN 0.434 nan 8.190 nan 0.000 0.446 1127 S N 1.097 116.800 115.700 0.005 0.000 2.549 1127 S HA 0.408 4.878 4.470 0.000 0.000 0.279 1127 S C 0.248 174.861 174.600 0.021 0.000 1.321 1127 S CA -0.375 57.839 58.200 0.024 0.000 1.054 1127 S CB 0.005 63.223 63.200 0.031 0.000 0.899 1127 S HN 0.629 nan 8.310 nan 0.000 0.497 1128 L N 4.039 125.281 121.223 0.032 0.000 2.872 1128 L HA 0.332 4.672 4.340 0.000 0.000 0.245 1128 L C 0.357 177.249 176.870 0.037 0.000 1.211 1128 L CA -0.153 54.695 54.840 0.014 0.000 1.013 1128 L CB 0.527 42.577 42.059 -0.014 0.000 1.326 1128 L HN 0.565 nan 8.230 nan 0.000 0.525 1129 S N 0.418 116.163 115.700 0.074 0.000 2.571 1129 S HA 0.871 5.341 4.470 0.000 0.000 0.284 1129 S C -0.889 173.752 174.600 0.068 0.000 1.128 1129 S CA -0.250 58.038 58.200 0.146 0.000 0.970 1129 S CB 1.801 65.159 63.200 0.264 0.000 1.039 1129 S HN 0.165 nan 8.310 nan 0.000 0.485 1130 A N 2.907 125.733 122.820 0.010 0.000 2.589 1130 A HA 0.769 5.089 4.320 0.000 0.000 0.296 1130 A C -0.032 177.546 177.584 -0.010 0.000 1.062 1130 A CA -0.705 51.341 52.037 0.014 0.000 0.686 1130 A CB 0.982 19.997 19.000 0.025 0.000 1.282 1130 A HN 0.992 nan 8.150 nan 0.000 0.404 1131 T N -0.355 114.213 114.554 0.024 0.000 2.754 1131 T HA 0.734 5.084 4.350 0.000 0.000 0.286 1131 T C 0.463 175.205 174.700 0.071 0.000 0.997 1131 T CA -0.051 62.075 62.100 0.044 0.000 0.982 1131 T CB 1.386 70.298 68.868 0.074 0.000 1.027 1131 T HN 2.098 nan 8.240 nan 0.000 0.529 1132 G N -0.358 108.505 108.800 0.105 0.000 2.716 1132 G HA2 0.504 4.464 3.960 0.000 0.000 0.299 1132 G HA3 0.504 4.464 3.960 0.000 0.000 0.299 1132 G C -1.842 173.191 174.900 0.222 0.000 1.450 1132 G CA -0.902 44.290 45.100 0.153 0.000 0.968 1132 G HN 0.729 nan 8.290 nan 0.000 0.566 1133 F N 1.364 121.369 119.950 0.092 0.000 2.654 1133 F HA 0.906 5.433 4.527 0.000 0.000 0.334 1133 F C -1.306 174.615 175.800 0.202 0.000 1.078 1133 F CA -1.263 56.802 58.000 0.109 0.000 0.986 1133 F CB 2.519 41.558 39.000 0.066 0.000 1.362 1133 F HN 0.655 nan 8.300 nan 0.000 0.498 1134 Y N 2.794 123.461 120.300 0.613 0.000 2.522 1134 Y HA 0.347 4.897 4.550 0.000 0.000 0.326 1134 Y C -1.784 174.280 175.900 0.273 0.000 1.198 1134 Y CA -1.136 57.170 58.100 0.342 0.000 1.112 1134 Y CB 1.002 39.541 38.460 0.132 0.000 1.342 1134 Y HN 0.711 nan 8.280 nan 0.000 0.460 1135 R N 3.342 123.310 120.500 -0.886 0.000 2.686 1135 R HA 0.716 5.056 4.340 0.000 0.000 0.286 1135 R C -1.584 174.140 176.300 -0.959 0.000 0.969 1135 R CA -0.759 54.992 56.100 -0.583 0.000 0.898 1135 R CB 2.005 32.184 30.300 -0.202 0.000 1.183 1135 R HN 0.652 nan 8.270 nan 0.000 0.456 1136 T N 5.092 119.337 114.554 -0.514 0.000 2.780 1136 T HA 0.329 4.679 4.350 0.000 0.000 0.294 1136 T C -2.160 172.382 174.700 -0.264 0.000 0.949 1136 T CA -1.031 60.809 62.100 -0.433 0.000 1.074 1136 T CB 1.195 69.861 68.868 -0.336 0.000 0.910 1136 T HN 0.503 nan 8.240 nan 0.000 0.501 1137 P HA 0.396 nan 4.420 nan 0.000 0.286 1137 P C -0.171 177.143 177.300 0.024 0.000 1.261 1137 P CA -0.591 62.478 63.100 -0.052 0.000 0.821 1137 P CB 0.580 32.279 31.700 -0.001 0.000 1.013 1138 N N -0.464 118.247 118.700 0.018 0.000 2.920 1138 N HA -0.113 4.627 4.740 0.000 0.000 0.247 1138 N C -1.043 174.496 175.510 0.049 0.000 1.123 1138 N CA 0.462 53.538 53.050 0.043 0.000 0.711 1138 N CB -1.608 36.922 38.487 0.071 0.000 1.065 1138 N HN 0.349 nan 8.380 nan 0.000 0.554 1139 L N 0.074 121.308 121.223 0.018 0.000 2.330 1139 L HA 0.833 5.173 4.340 0.000 0.000 0.271 1139 L C 0.786 177.645 176.870 -0.017 0.000 1.013 1139 L CA 0.341 55.179 54.840 -0.004 0.000 0.816 1139 L CB 1.941 43.979 42.059 -0.035 0.000 1.287 1139 L HN 0.268 nan 8.230 nan 0.000 0.435 1140 G N 2.056 110.839 108.800 -0.029 0.000 2.372 1140 G HA2 -0.051 3.909 3.960 0.000 0.000 0.207 1140 G HA3 -0.051 3.909 3.960 0.000 0.000 0.207 1140 G C -1.774 173.146 174.900 0.033 0.000 1.473 1140 G CA -0.831 44.263 45.100 -0.010 0.000 1.183 1140 G HN 0.499 nan 8.290 nan 0.000 0.607 1141 Y N 2.884 123.126 120.300 -0.096 0.000 2.326 1141 Y HA 0.736 5.286 4.550 0.000 0.000 0.337 1141 Y C 0.393 176.286 175.900 -0.011 0.000 1.023 1141 Y CA -0.263 57.793 58.100 -0.073 0.000 1.143 1141 Y CB 1.786 40.155 38.460 -0.152 0.000 1.183 1141 Y HN 0.627 nan 8.280 nan 0.000 0.485 1142 S N 5.033 120.436 115.700 -0.496 0.000 2.525 1142 S HA 0.292 4.763 4.470 0.000 0.000 0.290 1142 S C 0.351 174.661 174.600 -0.484 0.000 1.152 1142 S CA -0.566 57.461 58.200 -0.289 0.000 1.072 1142 S CB 0.459 63.580 63.200 -0.132 0.000 1.027 1142 S HN 0.791 nan 8.310 nan 0.000 0.500 1143 F N 1.849 121.709 119.950 -0.150 0.000 2.367 1143 F HA 0.152 4.679 4.527 0.000 0.000 0.298 1143 F C 1.637 177.406 175.800 -0.052 0.000 1.094 1143 F CA 0.683 58.673 58.000 -0.017 0.000 1.409 1143 F CB 0.305 39.346 39.000 0.068 0.000 1.064 1143 F HN 0.667 nan 8.300 nan 0.000 0.528 1144 E N -0.402 119.824 120.200 0.043 0.000 3.406 1144 E HA 0.231 4.581 4.350 0.000 0.000 0.210 1144 E C 0.364 176.951 176.600 -0.021 0.000 1.167 1144 E CA 0.301 56.721 56.400 0.033 0.000 1.132 1144 E CB 0.438 30.174 29.700 0.061 0.000 1.309 1144 E HN 0.193 nan 8.360 nan 0.000 0.424 1145 T N 0.383 114.900 114.554 -0.061 0.000 4.880 1145 T HA -0.128 4.222 4.350 0.000 0.000 0.285 1145 T C 0.155 174.776 174.700 -0.132 0.000 1.378 1145 T CA 0.264 62.312 62.100 -0.086 0.000 1.155 1145 T CB -1.245 67.557 68.868 -0.109 0.000 0.810 1145 T HN 0.355 nan 8.240 nan 0.000 0.608 1146 N N 2.104 120.684 118.700 -0.199 0.000 2.718 1146 N HA -0.162 4.578 4.740 0.000 0.000 0.268 1146 N C -0.271 175.119 175.510 -0.200 0.000 0.965 1146 N CA 1.431 54.345 53.050 -0.226 0.000 0.817 1146 N CB -0.979 37.501 38.487 -0.012 0.000 0.914 1146 N HN 1.017 nan 8.380 nan 0.000 0.558 1147 S N -1.174 114.298 115.700 -0.379 0.000 2.685 1147 S HA 0.877 5.347 4.470 0.000 0.000 0.282 1147 S C 0.262 174.751 174.600 -0.186 0.000 1.159 1147 S CA 0.304 58.399 58.200 -0.176 0.000 0.833 1147 S CB 2.152 65.286 63.200 -0.110 0.000 1.151 1147 S HN 1.003 nan 8.310 nan 0.000 0.485 1148 G N 0.810 109.600 108.800 -0.016 0.000 2.757 1148 G HA2 -0.099 3.861 3.960 0.000 0.000 0.638 1148 G HA3 -0.099 3.861 3.960 0.000 0.000 0.638 1148 G C -0.992 173.989 174.900 0.135 0.000 1.344 1148 G CA -0.452 44.657 45.100 0.015 0.000 0.855 1148 G HN 1.036 nan 8.290 nan 0.000 0.537 1149 N N 1.324 120.088 118.700 0.106 0.000 2.524 1149 N HA 0.554 5.294 4.740 0.000 0.000 0.261 1149 N C -1.407 174.092 175.510 -0.018 0.000 0.998 1149 N CA -1.635 51.474 53.050 0.098 0.000 0.915 1149 N CB 2.567 41.101 38.487 0.078 0.000 1.187 1149 N HN 0.360 nan 8.380 nan 0.000 0.507 1150 P HA 0.094 nan 4.420 nan 0.000 0.226 1150 P C -0.418 176.379 177.300 -0.838 0.000 1.160 1150 P CA 0.663 63.393 63.100 -0.617 0.000 0.837 1150 P CB 0.587 31.544 31.700 -1.238 0.000 0.860 1151 F N -1.717 118.016 119.950 -0.363 0.000 2.629 1151 F HA 0.467 4.994 4.527 0.000 0.000 0.386 1151 F C 2.138 177.815 175.800 -0.206 0.000 1.135 1151 F CA -0.617 57.151 58.000 -0.387 0.000 1.116 1151 F CB 0.066 38.651 39.000 -0.692 0.000 1.426 1151 F HN -0.231 nan 8.300 nan 0.000 0.501 1152 H N -1.884 117.102 119.070 -0.140 0.000 3.091 1152 H HA 0.244 4.800 4.556 0.000 0.000 0.249 1152 H C -1.254 174.103 175.328 0.048 0.000 0.985 1152 H CA 0.069 56.078 56.048 -0.065 0.000 1.177 1152 H CB 0.621 30.352 29.762 -0.053 0.000 1.456 1152 H HN 0.474 nan 8.280 nan 0.000 0.467 1153 Y N -3.535 116.685 120.300 -0.134 0.000 2.895 1153 Y HA 0.457 5.007 4.550 0.000 0.000 0.339 1153 Y C -1.966 173.750 175.900 -0.306 0.000 1.363 1153 Y CA -2.169 55.866 58.100 -0.109 0.000 1.085 1153 Y CB 0.576 39.030 38.460 -0.010 0.000 1.500 1153 Y HN -0.192 nan 8.280 nan 0.000 0.442 1154 F N 0.535 120.601 119.950 0.193 0.000 2.551 1154 F HA 0.671 5.198 4.527 0.000 0.000 0.316 1154 F C 0.303 175.983 175.800 -0.199 0.000 1.089 1154 F CA -0.943 56.943 58.000 -0.189 0.000 0.915 1154 F CB 2.387 41.051 39.000 -0.560 0.000 1.186 1154 F HN 0.575 nan 8.300 nan 0.000 0.456 1155 S N 1.616 117.299 115.700 -0.028 0.000 2.586 1155 S HA 0.647 5.117 4.470 0.000 0.000 0.274 1155 S C -1.274 173.135 174.600 -0.318 0.000 1.281 1155 S CA -0.128 58.046 58.200 -0.042 0.000 1.035 1155 S CB 0.351 63.573 63.200 0.037 0.000 0.962 1155 S HN 0.443 nan 8.310 nan 0.000 0.512 1156 Y N 0.595 120.944 120.300 0.083 0.000 2.605 1156 Y HA 0.753 5.303 4.550 0.000 0.000 0.343 1156 Y C 0.734 176.645 175.900 0.017 0.000 1.036 1156 Y CA -0.328 57.781 58.100 0.015 0.000 1.065 1156 Y CB 2.382 40.776 38.460 -0.109 0.000 1.288 1156 Y HN 0.976 nan 8.280 nan 0.000 0.481 1157 G N -0.340 108.583 108.800 0.205 0.000 2.316 1157 G HA2 0.497 4.457 3.960 0.000 0.000 0.296 1157 G HA3 0.497 4.457 3.960 0.000 0.000 0.296 1157 G C -2.471 172.497 174.900 0.113 0.000 1.399 1157 G CA -0.673 44.501 45.100 0.123 0.000 0.833 1157 G HN 0.623 nan 8.290 nan 0.000 0.565 1158 V N -0.490 119.460 119.914 0.060 0.000 2.882 1158 V HA 0.738 4.858 4.120 0.000 0.000 0.295 1158 V C -0.184 175.880 176.094 -0.050 0.000 1.273 1158 V CA -0.055 62.260 62.300 0.025 0.000 0.949 1158 V CB 1.471 33.306 31.823 0.020 0.000 1.071 1158 V HN 2.136 nan 8.190 nan 0.000 0.432 1159 A N 2.883 125.671 122.820 -0.054 0.000 2.401 1159 A HA 0.906 5.226 4.320 0.000 0.000 0.310 1159 A C -0.968 176.585 177.584 -0.053 0.000 1.075 1159 A CA -0.518 51.482 52.037 -0.061 0.000 0.746 1159 A CB 1.935 20.925 19.000 -0.015 0.000 1.277 1159 A HN 1.306 nan 8.150 nan 0.000 0.425 1160 C N 1.767 121.037 119.300 -0.050 0.000 2.446 1160 C HA 0.805 5.265 4.460 0.000 0.000 0.329 1160 C C -0.516 174.486 174.990 0.020 0.000 1.166 1160 C CA -0.191 58.822 59.018 -0.008 0.000 1.341 1160 C CB 0.215 27.938 27.740 -0.030 0.000 1.970 1160 C HN 0.876 nan 8.230 nan 0.000 0.452 1161 S N 4.028 119.765 115.700 0.062 0.000 2.526 1161 S HA 0.591 5.061 4.470 0.000 0.000 0.293 1161 S C -1.153 173.480 174.600 0.054 0.000 1.092 1161 S CA -0.543 57.700 58.200 0.071 0.000 0.980 1161 S CB 1.854 65.132 63.200 0.130 0.000 1.048 1161 S HN 0.857 nan 8.310 nan 0.000 0.483 1162 E N 1.517 121.737 120.200 0.033 0.000 2.212 1162 E HA 0.679 5.029 4.350 0.000 0.000 0.268 1162 E C -1.172 175.445 176.600 0.028 0.000 0.902 1162 E CA -0.801 55.603 56.400 0.008 0.000 0.779 1162 E CB 1.539 31.222 29.700 -0.027 0.000 1.172 1162 E HN 0.556 nan 8.360 nan 0.000 0.409 1163 V N 0.499 120.428 119.914 0.026 0.000 3.114 1163 V HA 0.668 4.788 4.120 0.000 0.000 0.308 1163 V C -1.191 174.921 176.094 0.029 0.000 1.168 1163 V CA -0.820 61.518 62.300 0.065 0.000 1.015 1163 V CB 1.859 33.748 31.823 0.110 0.000 1.050 1163 V HN 0.813 nan 8.190 nan 0.000 0.433 1164 E N 3.450 123.686 120.200 0.059 0.000 2.246 1164 E HA 0.618 4.968 4.350 0.000 0.000 0.266 1164 E C -1.082 175.600 176.600 0.137 0.000 0.880 1164 E CA -0.908 55.523 56.400 0.052 0.000 0.762 1164 E CB 2.300 31.970 29.700 -0.050 0.000 1.180 1164 E HN 0.979 nan 8.360 nan 0.000 0.416 1165 I N 0.223 120.879 120.570 0.143 0.000 2.918 1165 I HA 0.583 4.753 4.170 0.000 0.000 0.316 1165 I C -0.394 175.829 176.117 0.176 0.000 1.001 1165 I CA -0.886 60.508 61.300 0.157 0.000 1.142 1165 I CB 1.450 39.514 38.000 0.106 0.000 1.356 1165 I HN 0.421 nan 8.210 nan 0.000 0.524 1166 D N 2.557 123.056 120.400 0.164 0.000 2.462 1166 D HA 0.329 4.969 4.640 0.000 0.000 0.245 1166 D C 0.199 176.598 176.300 0.166 0.000 1.122 1166 D CA -0.763 53.343 54.000 0.175 0.000 0.864 1166 D CB 1.278 42.165 40.800 0.144 0.000 1.098 1166 D HN 0.735 nan 8.370 nan 0.000 0.541 1167 C N 2.937 122.361 119.300 0.206 0.000 2.673 1167 C HA 0.328 4.788 4.460 0.000 0.000 0.274 1167 C C 2.276 177.381 174.990 0.192 0.000 1.276 1167 C CA -0.533 58.596 59.018 0.184 0.000 1.701 1167 C CB -1.600 26.255 27.740 0.193 0.000 1.836 1167 C HN 0.590 nan 8.230 nan 0.000 0.596 1168 L N 2.043 123.371 121.223 0.176 0.000 2.068 1168 L HA -0.039 4.301 4.340 0.000 0.000 0.204 1168 L C 3.014 179.904 176.870 0.033 0.000 1.076 1168 L CA 2.147 57.032 54.840 0.075 0.000 0.753 1168 L CB -0.369 41.700 42.059 0.016 0.000 0.910 1168 L HN 0.582 nan 8.230 nan 0.000 0.439 1169 T N -4.725 109.867 114.554 0.064 0.000 3.023 1169 T HA 0.216 4.566 4.350 0.000 0.000 0.249 1169 T C 1.391 176.179 174.700 0.147 0.000 1.050 1169 T CA 0.664 62.809 62.100 0.074 0.000 1.088 1169 T CB 0.883 69.811 68.868 0.099 0.000 0.946 1169 T HN 0.407 nan 8.240 nan 0.000 0.480 1170 G N 1.214 110.082 108.800 0.112 0.000 2.163 1170 G HA2 -0.162 3.798 3.960 0.000 0.000 0.213 1170 G HA3 -0.162 3.798 3.960 0.000 0.000 0.213 1170 G C -0.302 174.658 174.900 0.100 0.000 0.991 1170 G CA 0.034 45.177 45.100 0.072 0.000 0.653 1170 G HN 0.863 nan 8.290 nan 0.000 0.518 1171 D N 0.894 121.368 120.400 0.122 0.000 2.225 1171 D HA 0.581 5.221 4.640 0.000 0.000 0.249 1171 D C 0.571 176.991 176.300 0.201 0.000 1.052 1171 D CA -0.401 53.676 54.000 0.127 0.000 0.909 1171 D CB 0.479 41.305 40.800 0.044 0.000 1.186 1171 D HN 0.435 nan 8.370 nan 0.000 0.431 1172 H N 0.623 119.703 119.070 0.017 0.000 2.865 1172 H HA 0.504 5.060 4.556 0.000 0.000 0.372 1172 H C -0.872 174.469 175.328 0.022 0.000 1.173 1172 H CA -1.007 55.057 56.048 0.026 0.000 1.147 1172 H CB 0.714 30.493 29.762 0.028 0.000 1.805 1172 H HN 0.257 nan 8.280 nan 0.000 0.553 1173 K N 0.538 120.947 120.400 0.015 0.000 2.098 1173 K HA 0.193 4.513 4.320 0.000 0.000 0.257 1173 K C -0.039 176.563 176.600 0.004 0.000 0.999 1173 K CA -0.790 55.469 56.287 -0.047 0.000 0.924 1173 K CB 0.742 33.254 32.500 0.020 0.000 1.028 1173 K HN 0.497 nan 8.250 nan 0.000 0.466 1174 N N 2.937 121.631 118.700 -0.009 0.000 2.914 1174 N HA 0.123 4.863 4.740 0.000 0.000 0.304 1174 N C 1.046 176.581 175.510 0.042 0.000 1.727 1174 N CA 0.028 53.109 53.050 0.051 0.000 0.986 1174 N CB 0.217 38.714 38.487 0.017 0.000 1.297 1174 N HN 0.516 nan 8.380 nan 0.000 0.490 1175 L N -0.077 121.169 121.223 0.038 0.000 1.997 1175 L HA -0.212 4.128 4.340 0.000 0.000 0.227 1175 L C 1.259 178.144 176.870 0.024 0.000 1.087 1175 L CA 1.691 56.543 54.840 0.020 0.000 0.797 1175 L CB -0.114 41.940 42.059 -0.009 0.000 0.902 1175 L HN 0.395 nan 8.230 nan 0.000 0.441 1176 R N -1.649 118.863 120.500 0.019 0.000 2.764 1176 R HA 0.465 4.805 4.340 0.000 0.000 0.270 1176 R C -1.656 174.651 176.300 0.011 0.000 1.014 1176 R CA -0.499 55.614 56.100 0.022 0.000 0.904 1176 R CB 2.312 32.627 30.300 0.026 0.000 1.236 1176 R HN -0.148 nan 8.270 nan 0.000 0.466 1177 T N 1.814 116.368 114.554 0.001 0.000 3.395 1177 T HA 0.262 4.612 4.350 0.000 0.000 0.330 1177 T C -2.095 172.593 174.700 -0.020 0.000 1.076 1177 T CA -0.696 61.379 62.100 -0.042 0.000 1.070 1177 T CB 1.410 70.194 68.868 -0.140 0.000 1.119 1177 T HN 0.631 nan 8.240 nan 0.000 0.462 1178 D N 2.558 122.935 120.400 -0.038 0.000 2.375 1178 D HA 0.673 5.313 4.640 0.000 0.000 0.247 1178 D C -0.256 175.994 176.300 -0.084 0.000 1.061 1178 D CA -0.438 53.543 54.000 -0.033 0.000 0.834 1178 D CB 1.488 42.274 40.800 -0.025 0.000 1.247 1178 D HN 0.374 nan 8.370 nan 0.000 0.489 1179 I N 1.071 121.593 120.570 -0.080 0.000 2.740 1179 I HA 0.575 4.745 4.170 0.000 0.000 0.303 1179 I C -0.770 175.314 176.117 -0.055 0.000 1.044 1179 I CA -1.282 59.962 61.300 -0.094 0.000 1.064 1179 I CB 2.127 40.050 38.000 -0.129 0.000 1.249 1179 I HN 0.031 nan 8.210 nan 0.000 0.433 1180 V N 4.870 124.758 119.914 -0.043 0.000 2.525 1180 V HA 0.469 4.589 4.120 0.000 0.000 0.299 1180 V C -0.632 175.463 176.094 0.002 0.000 1.034 1180 V CA -0.431 61.857 62.300 -0.020 0.000 0.863 1180 V CB 1.813 33.622 31.823 -0.025 0.000 0.999 1180 V HN 0.661 nan 8.190 nan 0.000 0.423 1181 M N 3.954 123.561 119.600 0.011 0.000 2.326 1181 M HA 0.557 5.037 4.480 0.000 0.000 0.306 1181 M C -0.954 175.370 176.300 0.041 0.000 1.054 1181 M CA -0.474 54.843 55.300 0.030 0.000 0.922 1181 M CB 1.742 34.351 32.600 0.016 0.000 1.632 1181 M HN 0.723 nan 8.290 nan 0.000 0.436 1182 D N 3.296 123.738 120.400 0.069 0.000 2.336 1182 D HA 0.276 4.916 4.640 0.000 0.000 0.249 1182 D C 0.543 176.884 176.300 0.068 0.000 1.213 1182 D CA -0.160 53.885 54.000 0.076 0.000 0.870 1182 D CB 0.872 41.744 40.800 0.121 0.000 1.076 1182 D HN 0.468 nan 8.370 nan 0.000 0.483 1183 V N 1.804 121.743 119.914 0.041 0.000 3.528 1183 V HA 0.530 4.650 4.120 0.000 0.000 0.294 1183 V C 1.222 177.323 176.094 0.012 0.000 1.404 1183 V CA 0.666 62.982 62.300 0.027 0.000 1.065 1183 V CB -0.540 31.289 31.823 0.009 0.000 0.904 1183 V HN 0.791 nan 8.190 nan 0.000 0.435 1184 G N 1.360 110.167 108.800 0.012 0.000 2.509 1184 G HA2 -0.243 3.717 3.960 0.000 0.000 0.259 1184 G HA3 -0.243 3.717 3.960 0.000 0.000 0.259 1184 G C 0.048 174.951 174.900 0.005 0.000 1.169 1184 G CA 0.026 45.122 45.100 -0.007 0.000 0.953 1184 G HN 1.003 nan 8.290 nan 0.000 0.563 1185 S N 0.825 116.527 115.700 0.002 0.000 2.835 1185 S HA 0.560 5.030 4.470 0.000 0.000 0.286 1185 S C 0.507 175.116 174.600 0.015 0.000 1.194 1185 S CA 0.695 58.904 58.200 0.015 0.000 1.031 1185 S CB 0.979 64.190 63.200 0.018 0.000 1.216 1185 S HN 1.400 nan 8.310 nan 0.000 0.502 1186 S N 3.212 118.923 115.700 0.018 0.000 2.558 1186 S HA 0.088 4.558 4.470 0.000 0.000 0.293 1186 S C 1.376 175.970 174.600 -0.010 0.000 1.292 1186 S CA -0.477 57.723 58.200 0.001 0.000 1.063 1186 S CB 0.087 63.283 63.200 -0.007 0.000 0.831 1186 S HN 0.681 nan 8.310 nan 0.000 0.499 1187 L N 3.169 124.380 121.223 -0.020 0.000 2.191 1187 L HA 0.016 4.356 4.340 0.000 0.000 0.212 1187 L C 1.050 177.888 176.870 -0.053 0.000 1.103 1187 L CA 0.861 55.679 54.840 -0.037 0.000 0.769 1187 L CB -0.295 41.744 42.059 -0.034 0.000 0.908 1187 L HN 0.703 nan 8.230 nan 0.000 0.438 1188 N N -1.568 117.095 118.700 -0.062 0.000 3.049 1188 N HA 0.115 4.855 4.740 0.000 0.000 0.241 1188 N C -2.386 173.037 175.510 -0.145 0.000 1.323 1188 N CA -0.826 52.171 53.050 -0.089 0.000 0.824 1188 N CB 1.445 39.880 38.487 -0.087 0.000 1.557 1188 N HN -0.280 nan 8.380 nan 0.000 0.612 1189 P HA 0.071 nan 4.420 nan 0.000 0.225 1189 P C 0.993 178.021 177.300 -0.453 0.000 1.156 1189 P CA 0.708 63.616 63.100 -0.320 0.000 0.787 1189 P CB 0.478 31.860 31.700 -0.529 0.000 0.802 1190 A N -0.002 122.541 122.820 -0.462 0.000 1.840 1190 A HA -0.134 4.186 4.320 0.000 0.000 0.214 1190 A C 2.129 179.470 177.584 -0.406 0.000 1.198 1190 A CA 1.337 53.028 52.037 -0.576 0.000 0.608 1190 A CB -1.546 16.950 19.000 -0.841 0.000 0.839 1190 A HN 0.082 nan 8.150 nan 0.000 0.443 1191 I N 0.176 120.592 120.570 -0.257 0.000 2.286 1191 I HA -0.140 4.030 4.170 0.000 0.000 0.248 1191 I C 0.100 176.139 176.117 -0.130 0.000 1.115 1191 I CA 0.492 61.705 61.300 -0.145 0.000 1.392 1191 I CB -0.543 37.402 38.000 -0.091 0.000 1.065 1191 I HN 0.234 nan 8.210 nan 0.000 0.418 1192 D N 0.893 121.209 120.400 -0.140 0.000 2.339 1192 D HA 0.295 4.935 4.640 0.000 0.000 0.245 1192 D C 1.152 177.373 176.300 -0.131 0.000 1.115 1192 D CA 0.194 54.129 54.000 -0.109 0.000 0.917 1192 D CB 2.285 43.031 40.800 -0.090 0.000 1.192 1192 D HN 0.116 nan 8.370 nan 0.000 0.428 1193 I N -0.358 120.151 120.570 -0.101 0.000 4.811 1193 I HA -0.348 3.822 4.170 0.000 0.000 0.040 1193 I C 2.029 178.076 176.117 -0.118 0.000 0.634 1193 I CA 1.149 62.375 61.300 -0.123 0.000 0.558 1193 I CB -1.593 36.293 38.000 -0.189 0.000 0.550 1193 I HN 0.555 nan 8.210 nan 0.000 0.153 1194 G N 0.712 109.431 108.800 -0.134 0.000 2.624 1194 G HA2 -0.384 3.576 3.960 0.000 0.000 0.221 1194 G HA3 -0.384 3.576 3.960 0.000 0.000 0.221 1194 G C 1.130 175.996 174.900 -0.056 0.000 1.169 1194 G CA 2.137 47.181 45.100 -0.093 0.000 0.771 1194 G HN 0.537 nan 8.290 nan 0.000 0.598 1195 Q N -0.058 119.709 119.800 -0.056 0.000 2.050 1195 Q HA -0.028 4.312 4.340 0.000 0.000 0.202 1195 Q C 2.906 178.903 176.000 -0.005 0.000 0.980 1195 Q CA 1.242 57.025 55.803 -0.033 0.000 0.840 1195 Q CB -0.766 27.944 28.738 -0.047 0.000 0.898 1195 Q HN 0.324 nan 8.270 nan 0.000 0.424 1196 V N 0.578 120.482 119.914 -0.017 0.000 2.219 1196 V HA -0.310 3.810 4.120 0.000 0.000 0.248 1196 V C 2.123 178.273 176.094 0.094 0.000 1.053 1196 V CA 2.355 64.668 62.300 0.021 0.000 1.009 1196 V CB -0.561 31.253 31.823 -0.015 0.000 0.636 1196 V HN 0.450 nan 8.190 nan 0.000 0.445 1197 E N -0.206 120.019 120.200 0.042 0.000 2.118 1197 E HA -0.190 4.160 4.350 0.000 0.000 0.195 1197 E C 2.243 178.983 176.600 0.234 0.000 0.992 1197 E CA 1.277 57.761 56.400 0.139 0.000 0.804 1197 E CB -0.552 29.080 29.700 -0.114 0.000 0.741 1197 E HN 0.664 nan 8.360 nan 0.000 0.458 1198 G N 0.868 109.732 108.800 0.107 0.000 2.433 1198 G HA2 -0.292 3.668 3.960 0.000 0.000 0.216 1198 G HA3 -0.292 3.668 3.960 0.000 0.000 0.216 1198 G C 1.663 176.640 174.900 0.129 0.000 1.186 1198 G CA 0.956 46.111 45.100 0.091 0.000 0.779 1198 G HN 0.379 nan 8.290 nan 0.000 0.543 1199 A N 0.339 123.243 122.820 0.140 0.000 1.908 1199 A HA 0.014 4.334 4.320 0.000 0.000 0.218 1199 A C 2.203 179.867 177.584 0.133 0.000 1.181 1199 A CA 1.727 53.843 52.037 0.132 0.000 0.627 1199 A CB -0.626 18.437 19.000 0.105 0.000 0.818 1199 A HN 0.408 nan 8.150 nan 0.000 0.445 1200 F N 0.714 120.707 119.950 0.071 0.000 2.095 1200 F HA -0.169 4.359 4.527 0.000 0.000 0.298 1200 F C 2.263 178.083 175.800 0.035 0.000 1.104 1200 F CA 1.923 59.968 58.000 0.075 0.000 1.232 1200 F CB -0.438 38.662 39.000 0.167 0.000 0.987 1200 F HN 0.025 nan 8.300 nan 0.000 0.475 1201 V N 0.152 120.106 119.914 0.066 0.000 2.469 1201 V HA -0.330 3.790 4.120 0.000 0.000 0.251 1201 V C 2.336 178.321 176.094 -0.183 0.000 1.064 1201 V CA 2.239 64.482 62.300 -0.095 0.000 1.066 1201 V CB -0.673 31.186 31.823 0.061 0.000 0.667 1201 V HN 0.429 nan 8.190 nan 0.000 0.461 1202 Q N -0.548 119.182 119.800 -0.117 0.000 2.230 1202 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 1202 Q C 2.317 178.146 176.000 -0.285 0.000 0.963 1202 Q CA 1.234 56.955 55.803 -0.137 0.000 0.866 1202 Q CB -0.331 28.397 28.738 -0.017 0.000 0.931 1202 Q HN 0.738 nan 8.270 nan 0.000 0.452 1203 G N 1.077 109.652 108.800 -0.375 0.000 2.418 1203 G HA2 -0.250 3.710 3.960 0.000 0.000 0.217 1203 G HA3 -0.250 3.710 3.960 0.000 0.000 0.217 1203 G C 1.318 175.831 174.900 -0.646 0.000 1.158 1203 G CA 0.260 44.979 45.100 -0.634 0.000 0.771 1203 G HN 0.224 nan 8.290 nan 0.000 0.545 1204 L N 1.732 122.636 121.223 -0.530 0.000 2.030 1204 L HA -0.168 4.172 4.340 0.000 0.000 0.222 1204 L C 2.843 179.577 176.870 -0.227 0.000 1.082 1204 L CA 2.625 57.260 54.840 -0.343 0.000 0.785 1204 L CB -1.402 40.470 42.059 -0.311 0.000 0.895 1204 L HN 0.285 nan 8.230 nan 0.000 0.439 1205 G N -0.707 107.951 108.800 -0.237 0.000 2.511 1205 G HA2 -0.324 3.636 3.960 0.000 0.000 0.216 1205 G HA3 -0.324 3.636 3.960 0.000 0.000 0.216 1205 G C 1.623 176.392 174.900 -0.218 0.000 1.218 1205 G CA 0.918 45.902 45.100 -0.194 0.000 0.788 1205 G HN 0.441 nan 8.290 nan 0.000 0.560 1206 L N -0.358 120.660 121.223 -0.342 0.000 2.189 1206 L HA 0.076 4.416 4.340 0.000 0.000 0.214 1206 L C 2.219 178.972 176.870 -0.196 0.000 1.097 1206 L CA 1.648 56.256 54.840 -0.386 0.000 0.764 1206 L CB -0.333 41.361 42.059 -0.609 0.000 0.900 1206 L HN 0.334 nan 8.230 nan 0.000 0.436 1207 F N -1.964 117.867 119.950 -0.199 0.000 2.731 1207 F HA 0.088 4.615 4.527 0.000 0.000 0.298 1207 F C 1.683 177.376 175.800 -0.179 0.000 1.106 1207 F CA 0.360 58.199 58.000 -0.270 0.000 1.329 1207 F CB 0.089 38.902 39.000 -0.311 0.000 1.100 1207 F HN 0.267 nan 8.300 nan 0.000 0.592 1208 T N -4.285 110.304 114.554 0.059 0.000 3.080 1208 T HA 0.182 4.532 4.350 0.000 0.000 0.280 1208 T C 0.765 175.488 174.700 0.039 0.000 0.926 1208 T CA 0.050 62.190 62.100 0.067 0.000 0.883 1208 T CB 0.286 69.222 68.868 0.113 0.000 1.194 1208 T HN 0.065 nan 8.240 nan 0.000 0.541 1209 L N 0.704 121.914 121.223 -0.022 0.000 2.815 1209 L HA 0.574 4.914 4.340 0.000 0.000 0.241 1209 L C -0.222 176.569 176.870 -0.132 0.000 1.047 1209 L CA 0.556 55.362 54.840 -0.056 0.000 0.939 1209 L CB 0.693 42.711 42.059 -0.068 0.000 1.490 1209 L HN 0.259 nan 8.230 nan 0.000 0.510 1210 E N 1.002 121.101 120.200 -0.170 0.000 2.156 1210 E HA 0.407 4.757 4.350 0.000 0.000 0.279 1210 E C -0.745 175.823 176.600 -0.053 0.000 0.965 1210 E CA -0.159 56.074 56.400 -0.278 0.000 0.789 1210 E CB 1.805 31.338 29.700 -0.278 0.000 1.098 1210 E HN 0.056 nan 8.360 nan 0.000 0.397 1211 E N 3.095 123.315 120.200 0.034 0.000 2.275 1211 E HA 0.263 4.613 4.350 0.000 0.000 0.270 1211 E C -1.466 175.334 176.600 0.333 0.000 0.882 1211 E CA -0.789 55.712 56.400 0.168 0.000 0.758 1211 E CB 1.061 30.865 29.700 0.173 0.000 1.195 1211 E HN 0.175 nan 8.360 nan 0.000 0.419 1212 L N 3.590 125.001 121.223 0.314 0.000 2.357 1212 L HA 0.415 4.755 4.340 0.000 0.000 0.273 1212 L C -0.582 176.460 176.870 0.287 0.000 1.080 1212 L CA -0.362 54.665 54.840 0.312 0.000 0.803 1212 L CB 0.841 43.071 42.059 0.285 0.000 1.174 1212 L HN 0.637 nan 8.230 nan 0.000 0.443 1213 H N 2.323 121.454 119.070 0.102 0.000 2.524 1213 H HA 0.606 5.162 4.556 0.000 0.000 0.353 1213 H C -1.222 174.098 175.328 -0.013 0.000 1.136 1213 H CA -0.334 55.828 56.048 0.190 0.000 1.193 1213 H CB 1.255 31.192 29.762 0.292 0.000 1.558 1213 H HN 0.289 nan 8.280 nan 0.000 0.515 1214 Y N 0.023 120.418 120.300 0.159 0.000 2.391 1214 Y HA 0.254 4.804 4.550 0.000 0.000 0.341 1214 Y C 0.296 176.103 175.900 -0.154 0.000 0.965 1214 Y CA -1.253 56.827 58.100 -0.034 0.000 1.067 1214 Y CB 1.598 40.038 38.460 -0.033 0.000 1.199 1214 Y HN 0.719 nan 8.280 nan 0.000 0.450 1215 S N 3.878 119.347 115.700 -0.386 0.000 2.553 1215 S HA -0.039 4.431 4.470 0.000 0.000 0.293 1215 S C -1.533 173.008 174.600 -0.098 0.000 1.296 1215 S CA -0.719 57.246 58.200 -0.393 0.000 1.046 1215 S CB 0.677 63.534 63.200 -0.572 0.000 0.810 1215 S HN 0.584 nan 8.310 nan 0.000 0.505 1216 P HA -0.191 nan 4.420 nan 0.000 0.216 1216 P C 1.141 178.433 177.300 -0.014 0.000 1.150 1216 P CA 1.656 64.760 63.100 0.007 0.000 0.843 1216 P CB -0.165 31.549 31.700 0.025 0.000 0.787 1217 E N -0.378 119.801 120.200 -0.035 0.000 2.476 1217 E HA 0.110 4.460 4.350 0.000 0.000 0.191 1217 E C 0.966 177.545 176.600 -0.036 0.000 1.064 1217 E CA 0.649 57.029 56.400 -0.034 0.000 0.866 1217 E CB -0.877 28.803 29.700 -0.035 0.000 0.952 1217 E HN 0.282 nan 8.360 nan 0.000 0.492 1218 G N 0.943 109.725 108.800 -0.031 0.000 2.135 1218 G HA2 -0.250 3.710 3.960 0.000 0.000 0.183 1218 G HA3 -0.250 3.710 3.960 0.000 0.000 0.183 1218 G C -0.040 174.894 174.900 0.057 0.000 1.004 1218 G CA 0.238 45.345 45.100 0.012 0.000 0.677 1218 G HN 0.436 nan 8.290 nan 0.000 0.512 1219 S N -0.060 115.627 115.700 -0.021 0.000 2.457 1219 S HA 0.654 5.124 4.470 0.000 0.000 0.289 1219 S C 0.495 175.041 174.600 -0.090 0.000 1.163 1219 S CA -0.454 57.719 58.200 -0.045 0.000 1.078 1219 S CB 1.043 64.169 63.200 -0.123 0.000 0.987 1219 S HN 1.520 nan 8.310 nan 0.000 0.482 1220 L N 5.674 126.867 121.223 -0.050 0.000 2.499 1220 L HA 0.279 4.619 4.340 0.000 0.000 0.273 1220 L C 0.881 177.619 176.870 -0.220 0.000 1.195 1220 L CA 0.642 55.249 54.840 -0.387 0.000 0.882 1220 L CB 0.405 42.224 42.059 -0.399 0.000 1.133 1220 L HN 0.844 nan 8.230 nan 0.000 0.483 1221 H N 1.866 120.750 119.070 -0.309 0.000 2.516 1221 H HA 0.132 4.688 4.556 0.000 0.000 0.284 1221 H C 0.194 175.464 175.328 -0.096 0.000 0.999 1221 H CA 0.957 56.880 56.048 -0.207 0.000 1.303 1221 H CB 0.445 30.035 29.762 -0.286 0.000 1.452 1221 H HN 0.691 nan 8.280 nan 0.000 0.530 1222 T N 1.129 115.705 114.554 0.037 0.000 2.832 1222 T HA 0.361 4.711 4.350 0.000 0.000 0.313 1222 T C 0.226 174.971 174.700 0.075 0.000 1.035 1222 T CA -0.629 61.528 62.100 0.094 0.000 0.950 1222 T CB 0.007 68.984 68.868 0.181 0.000 0.984 1222 T HN 0.315 nan 8.240 nan 0.000 0.486 1223 R N 3.181 123.753 120.500 0.120 0.000 2.642 1223 R HA 0.525 4.866 4.340 0.000 0.000 0.435 1223 R C 0.579 176.991 176.300 0.187 0.000 1.046 1223 R CA -0.858 55.312 56.100 0.116 0.000 1.103 1223 R CB 1.160 31.518 30.300 0.097 0.000 1.425 1223 R HN 0.662 nan 8.270 nan 0.000 0.586 1224 G N 0.493 109.443 108.800 0.251 0.000 2.466 1224 G HA2 0.157 4.117 3.960 0.000 0.000 0.291 1224 G HA3 0.157 4.117 3.960 0.000 0.000 0.291 1224 G C -2.583 172.549 174.900 0.387 0.000 1.460 1224 G CA -1.006 44.284 45.100 0.317 0.000 0.791 1224 G HN -0.270 nan 8.290 nan 0.000 0.505 1225 P HA -0.174 nan 4.420 nan 0.000 0.225 1225 P C 1.721 179.141 177.300 0.200 0.000 1.141 1225 P CA 2.021 65.331 63.100 0.350 0.000 0.774 1225 P CB 0.207 32.103 31.700 0.326 0.000 0.760 1226 S N -0.634 115.176 115.700 0.184 0.000 2.387 1226 S HA -0.070 4.400 4.470 0.000 0.000 0.221 1226 S C 1.950 176.611 174.600 0.102 0.000 1.041 1226 S CA 1.590 59.855 58.200 0.107 0.000 0.959 1226 S CB -1.458 61.783 63.200 0.068 0.000 0.843 1226 S HN 0.277 nan 8.310 nan 0.000 0.488 1227 T N -2.600 112.040 114.554 0.144 0.000 3.031 1227 T HA 0.196 4.546 4.350 0.000 0.000 0.254 1227 T C 0.490 175.314 174.700 0.208 0.000 1.060 1227 T CA 0.049 62.238 62.100 0.147 0.000 1.135 1227 T CB -0.670 68.286 68.868 0.147 0.000 0.896 1227 T HN 0.383 nan 8.240 nan 0.000 0.472 1228 Y N 3.242 123.626 120.300 0.141 0.000 2.535 1228 Y HA 0.401 4.951 4.550 0.000 0.000 0.349 1228 Y C -0.318 175.633 175.900 0.084 0.000 0.992 1228 Y CA -1.387 56.800 58.100 0.144 0.000 1.248 1228 Y CB 0.346 38.933 38.460 0.212 0.000 1.124 1228 Y HN -0.145 nan 8.280 nan 0.000 0.520 1229 K N 8.899 129.134 120.400 -0.275 0.000 2.206 1229 K HA 0.173 4.493 4.320 0.000 0.000 0.268 1229 K C 0.263 176.677 176.600 -0.310 0.000 1.111 1229 K CA -0.184 55.983 56.287 -0.200 0.000 0.955 1229 K CB 0.014 32.451 32.500 -0.104 0.000 1.406 1229 K HN 0.774 nan 8.250 nan 0.000 0.427 1230 I N 0.556 120.947 120.570 -0.299 0.000 2.945 1230 I HA 0.340 4.510 4.170 0.000 0.000 0.292 1230 I C -2.044 174.006 176.117 -0.112 0.000 1.093 1230 I CA -1.772 59.381 61.300 -0.245 0.000 1.336 1230 I CB 0.575 38.416 38.000 -0.266 0.000 1.435 1230 I HN 0.183 nan 8.210 nan 0.000 0.593 1231 P HA 0.317 nan 4.420 nan 0.000 0.280 1231 P C -0.825 176.573 177.300 0.163 0.000 1.244 1231 P CA -0.272 62.846 63.100 0.030 0.000 0.784 1231 P CB 1.365 33.078 31.700 0.022 0.000 0.913 1232 A N 2.337 125.219 122.820 0.103 0.000 2.261 1232 A HA 0.495 4.815 4.320 0.000 0.000 0.323 1232 A C 0.968 178.367 177.584 -0.309 0.000 1.107 1232 A CA -0.683 51.365 52.037 0.018 0.000 0.883 1232 A CB -0.166 18.870 19.000 0.060 0.000 1.251 1232 A HN 0.421 nan 8.150 nan 0.000 0.502 1233 F N 0.760 120.118 119.950 -0.987 0.000 2.045 1233 F HA -0.228 4.299 4.527 0.000 0.000 0.297 1233 F C 2.694 178.361 175.800 -0.221 0.000 1.114 1233 F CA 2.624 60.129 58.000 -0.825 0.000 1.207 1233 F CB -0.718 37.999 39.000 -0.472 0.000 0.964 1233 F HN 0.685 nan 8.300 nan 0.000 0.486 1234 G N -1.673 107.225 108.800 0.164 0.000 2.697 1234 G HA2 -0.307 3.653 3.960 0.000 0.000 0.223 1234 G HA3 -0.307 3.653 3.960 0.000 0.000 0.223 1234 G C 1.631 176.601 174.900 0.116 0.000 1.083 1234 G CA 1.570 46.765 45.100 0.159 0.000 0.722 1234 G HN 0.416 nan 8.290 nan 0.000 0.604 1235 S N -0.510 115.240 115.700 0.083 0.000 2.512 1235 S HA 0.243 4.713 4.470 0.000 0.000 0.216 1235 S C 0.815 175.448 174.600 0.055 0.000 1.006 1235 S CA -0.422 57.806 58.200 0.047 0.000 0.915 1235 S CB 0.174 63.394 63.200 0.033 0.000 0.824 1235 S HN 0.486 nan 8.310 nan 0.000 0.497 1236 I N 1.963 122.606 120.570 0.122 0.000 2.754 1236 I HA 0.305 4.475 4.170 0.000 0.000 0.285 1236 I C -2.293 173.867 176.117 0.072 0.000 1.166 1236 I CA -2.236 59.139 61.300 0.125 0.000 1.417 1236 I CB -0.644 37.532 38.000 0.294 0.000 1.382 1236 I HN -0.109 nan 8.210 nan 0.000 0.588 1237 P HA -0.036 nan 4.420 nan 0.000 0.266 1237 P C 0.645 177.989 177.300 0.074 0.000 1.186 1237 P CA 0.031 63.105 63.100 -0.042 0.000 0.767 1237 P CB 0.696 32.242 31.700 -0.256 0.000 0.820 1238 I N 1.196 121.813 120.570 0.080 0.000 2.162 1238 I HA -0.102 4.068 4.170 0.000 0.000 0.238 1238 I C 1.275 177.473 176.117 0.135 0.000 1.076 1238 I CA 1.647 63.012 61.300 0.109 0.000 1.353 1238 I CB -1.132 36.917 38.000 0.083 0.000 1.063 1238 I HN 0.471 nan 8.210 nan 0.000 0.408 1239 E N 0.871 121.140 120.200 0.116 0.000 2.179 1239 E HA 0.384 4.734 4.350 0.000 0.000 0.275 1239 E C -1.116 175.606 176.600 0.203 0.000 0.945 1239 E CA -0.470 56.022 56.400 0.152 0.000 0.792 1239 E CB 2.040 31.806 29.700 0.110 0.000 1.125 1239 E HN 0.154 nan 8.360 nan 0.000 0.397 1240 F N 2.864 122.842 119.950 0.047 0.000 2.552 1240 F HA 0.363 4.890 4.527 0.000 0.000 0.369 1240 F C -0.441 175.359 175.800 -0.001 0.000 1.112 1240 F CA -1.093 56.923 58.000 0.026 0.000 1.129 1240 F CB 0.938 39.977 39.000 0.065 0.000 1.360 1240 F HN 0.373 nan 8.300 nan 0.000 0.473 1241 R N 4.929 125.585 120.500 0.259 0.000 2.215 1241 R HA 0.556 4.896 4.340 0.000 0.000 0.336 1241 R C -1.459 174.865 176.300 0.039 0.000 0.996 1241 R CA -0.367 55.790 56.100 0.094 0.000 0.847 1241 R CB 1.546 31.885 30.300 0.065 0.000 1.127 1241 R HN 0.410 nan 8.270 nan 0.000 0.465 1242 V N 2.975 122.866 119.914 -0.038 0.000 2.581 1242 V HA 0.538 4.658 4.120 0.000 0.000 0.303 1242 V C -0.748 175.329 176.094 -0.028 0.000 1.041 1242 V CA -0.511 61.753 62.300 -0.059 0.000 0.907 1242 V CB 2.173 33.918 31.823 -0.130 0.000 0.994 1242 V HN 0.929 nan 8.190 nan 0.000 0.442 1243 S N 4.667 120.359 115.700 -0.014 0.000 2.603 1243 S HA 0.652 5.122 4.470 0.000 0.000 0.274 1243 S C -1.043 173.567 174.600 0.017 0.000 1.168 1243 S CA -0.770 57.438 58.200 0.014 0.000 0.963 1243 S CB 1.097 64.303 63.200 0.010 0.000 1.078 1243 S HN 0.464 nan 8.310 nan 0.000 0.477 1244 L N 2.484 123.734 121.223 0.045 0.000 2.395 1244 L HA 0.458 4.799 4.340 0.000 0.000 0.269 1244 L C -0.204 176.690 176.870 0.040 0.000 1.133 1244 L CA -0.961 53.906 54.840 0.044 0.000 0.812 1244 L CB 0.614 42.715 42.059 0.070 0.000 1.125 1244 L HN 0.608 nan 8.230 nan 0.000 0.452 1245 L N 3.776 125.016 121.223 0.029 0.000 2.290 1245 L HA 0.323 4.663 4.340 0.000 0.000 0.284 1245 L C 0.153 177.034 176.870 0.018 0.000 1.078 1245 L CA 0.073 54.924 54.840 0.018 0.000 0.815 1245 L CB 0.555 42.623 42.059 0.015 0.000 1.162 1245 L HN 0.516 nan 8.230 nan 0.000 0.435 1246 R N 3.440 123.946 120.500 0.009 0.000 2.500 1246 R HA 0.395 4.735 4.340 0.000 0.000 0.275 1246 R C -0.793 175.506 176.300 -0.001 0.000 1.051 1246 R CA -0.832 55.269 56.100 0.002 0.000 1.088 1246 R CB 0.342 30.636 30.300 -0.010 0.000 1.063 1246 R HN 0.624 nan 8.270 nan 0.000 0.511 1247 D N 0.710 121.109 120.400 -0.002 0.000 3.278 1247 D HA -0.135 4.505 4.640 0.000 0.000 0.233 1247 D C -0.522 175.778 176.300 -0.001 0.000 1.149 1247 D CA 1.125 55.124 54.000 -0.002 0.000 0.957 1247 D CB -0.702 40.095 40.800 -0.005 0.000 0.913 1247 D HN 0.904 nan 8.370 nan 0.000 0.409 1248 C N -0.373 118.928 119.300 0.001 0.000 2.777 1248 C HA 0.343 4.803 4.460 0.000 0.000 0.229 1248 C C -2.603 172.384 174.990 -0.005 0.000 1.210 1248 C CA -1.530 57.487 59.018 -0.001 0.000 0.959 1248 C CB -0.247 27.492 27.740 -0.002 0.000 1.835 1248 C HN 0.113 nan 8.230 nan 0.000 0.690 1249 P HA 0.268 nan 4.420 nan 0.000 0.269 1249 P C -0.452 176.830 177.300 -0.031 0.000 1.215 1249 P CA 0.532 63.625 63.100 -0.012 0.000 0.780 1249 P CB 0.590 32.290 31.700 -0.001 0.000 0.898 1250 N N 1.280 119.944 118.700 -0.060 0.000 2.479 1250 N HA 0.130 4.870 4.740 0.000 0.000 0.261 1250 N C 0.470 175.918 175.510 -0.102 0.000 0.979 1250 N CA -0.681 52.301 53.050 -0.114 0.000 0.930 1250 N CB 0.848 39.196 38.487 -0.232 0.000 1.172 1250 N HN 0.242 nan 8.380 nan 0.000 0.499 1251 K N 2.004 122.362 120.400 -0.070 0.000 2.426 1251 K HA 0.165 4.485 4.320 0.000 0.000 0.193 1251 K C 0.406 176.988 176.600 -0.029 0.000 1.028 1251 K CA 0.529 56.791 56.287 -0.041 0.000 1.047 1251 K CB 0.326 32.813 32.500 -0.020 0.000 0.821 1251 K HN 0.321 nan 8.250 nan 0.000 0.513 1252 K N 0.860 121.234 120.400 -0.044 0.000 2.404 1252 K HA 0.215 4.535 4.320 0.000 0.000 0.194 1252 K C -0.218 176.492 176.600 0.183 0.000 1.023 1252 K CA 0.035 56.352 56.287 0.049 0.000 1.094 1252 K CB 0.797 33.265 32.500 -0.054 0.000 0.841 1252 K HN 0.232 nan 8.250 nan 0.000 0.523 1253 A N 1.235 124.080 122.820 0.041 0.000 2.488 1253 A HA 0.346 4.666 4.320 0.000 0.000 0.298 1253 A C -0.499 177.060 177.584 -0.042 0.000 1.044 1253 A CA -0.912 51.163 52.037 0.063 0.000 0.693 1253 A CB 0.766 19.796 19.000 0.050 0.000 1.272 1253 A HN 0.283 nan 8.150 nan 0.000 0.402 1254 I N 1.986 122.496 120.570 -0.100 0.000 3.383 1254 I HA -0.260 3.910 4.170 0.000 0.000 0.345 1254 I C 0.201 176.338 176.117 0.033 0.000 1.097 1254 I CA 1.335 62.560 61.300 -0.125 0.000 1.828 1254 I CB -0.112 37.835 38.000 -0.088 0.000 1.148 1254 I HN 0.751 nan 8.210 nan 0.000 0.428 1255 Y N 6.074 126.324 120.300 -0.083 0.000 2.915 1255 Y HA -0.228 4.322 4.550 0.000 0.000 0.223 1255 Y C 1.366 177.239 175.900 -0.044 0.000 1.055 1255 Y CA 0.898 58.969 58.100 -0.049 0.000 0.930 1255 Y CB -1.346 37.103 38.460 -0.019 0.000 1.091 1255 Y HN 0.908 nan 8.280 nan 0.000 0.517 1256 A N -0.944 121.909 122.820 0.055 0.000 3.168 1256 A HA -0.189 4.131 4.320 0.000 0.000 0.249 1256 A C 0.836 178.410 177.584 -0.017 0.000 1.280 1256 A CA 0.696 52.740 52.037 0.011 0.000 1.128 1256 A CB -1.900 17.123 19.000 0.039 0.000 1.160 1256 A HN 1.203 nan 8.150 nan 0.000 0.900 1257 S N -0.651 115.040 115.700 -0.015 0.000 2.549 1257 S HA 0.755 5.225 4.470 0.000 0.000 0.297 1257 S C -0.368 174.190 174.600 -0.070 0.000 1.115 1257 S CA -0.628 57.561 58.200 -0.018 0.000 1.059 1257 S CB 1.853 65.064 63.200 0.019 0.000 1.046 1257 S HN 0.453 nan 8.310 nan 0.000 0.506 1258 K N 1.000 121.366 120.400 -0.056 0.000 2.098 1258 K HA 0.622 4.942 4.320 0.000 0.000 0.258 1258 K C 0.304 176.967 176.600 0.106 0.000 0.973 1258 K CA -0.685 55.584 56.287 -0.030 0.000 0.898 1258 K CB 1.561 34.048 32.500 -0.022 0.000 1.057 1258 K HN 0.880 nan 8.250 nan 0.000 0.447 1259 A N 1.305 124.280 122.820 0.259 0.000 2.520 1259 A HA 0.051 4.371 4.320 0.000 0.000 0.235 1259 A C 0.671 178.280 177.584 0.041 0.000 1.065 1259 A CA 0.006 52.130 52.037 0.146 0.000 0.764 1259 A CB 0.508 19.597 19.000 0.148 0.000 1.002 1259 A HN 0.559 nan 8.150 nan 0.000 0.502 1260 V N 2.137 122.040 119.914 -0.018 0.000 3.426 1260 V HA 0.196 4.316 4.120 0.000 0.000 0.271 1260 V C 1.961 177.999 176.094 -0.094 0.000 1.530 1260 V CA 1.335 63.603 62.300 -0.053 0.000 1.021 1260 V CB -0.346 31.454 31.823 -0.038 0.000 0.824 1260 V HN 1.238 nan 8.190 nan 0.000 0.432 1261 G N 1.064 109.801 108.800 -0.104 0.000 2.703 1261 G HA2 -0.313 3.647 3.960 0.000 0.000 0.222 1261 G HA3 -0.313 3.647 3.960 0.000 0.000 0.222 1261 G C 1.132 175.938 174.900 -0.157 0.000 1.183 1261 G CA 1.965 46.994 45.100 -0.119 0.000 0.775 1261 G HN 0.650 nan 8.290 nan 0.000 0.615 1262 E N -0.245 119.759 120.200 -0.325 0.000 2.399 1262 E HA 0.051 4.401 4.350 0.000 0.000 0.206 1262 E C -0.475 175.811 176.600 -0.523 0.000 0.812 1262 E CA -0.219 55.945 56.400 -0.394 0.000 1.138 1262 E CB -0.308 29.080 29.700 -0.520 0.000 1.140 1262 E HN 0.252 nan 8.360 nan 0.000 0.536 1263 P HA -0.180 nan 4.420 nan 0.000 0.217 1263 P C -1.518 175.738 177.300 -0.074 0.000 1.158 1263 P CA 2.257 65.029 63.100 -0.546 0.000 0.887 1263 P CB -0.951 30.560 31.700 -0.314 0.000 0.792 1264 P HA -0.115 nan 4.420 nan 0.000 0.225 1264 P C 1.683 179.088 177.300 0.176 0.000 1.148 1264 P CA 0.991 64.146 63.100 0.092 0.000 0.779 1264 P CB -0.431 31.315 31.700 0.076 0.000 0.780 1265 L N -1.128 120.173 121.223 0.130 0.000 2.083 1265 L HA -0.138 4.202 4.340 0.000 0.000 0.209 1265 L C 2.522 179.504 176.870 0.187 0.000 1.083 1265 L CA 1.453 56.370 54.840 0.129 0.000 0.752 1265 L CB -0.856 41.248 42.059 0.076 0.000 0.899 1265 L HN -0.163 nan 8.230 nan 0.000 0.433 1266 F N 0.441 120.475 119.950 0.140 0.000 2.120 1266 F HA -0.310 4.217 4.527 0.000 0.000 0.300 1266 F C 2.103 178.106 175.800 0.337 0.000 1.095 1266 F CA 1.613 59.767 58.000 0.257 0.000 1.249 1266 F CB -0.098 39.052 39.000 0.251 0.000 0.995 1266 F HN 0.020 nan 8.300 nan 0.000 0.480 1267 L N 0.434 121.694 121.223 0.061 0.000 2.283 1267 L HA -0.337 4.003 4.340 0.000 0.000 0.217 1267 L C 2.774 179.807 176.870 0.271 0.000 1.104 1267 L CA 0.978 55.849 54.840 0.052 0.000 0.772 1267 L CB -1.367 40.810 42.059 0.197 0.000 0.899 1267 L HN 0.356 nan 8.230 nan 0.000 0.439 1268 A N 0.171 123.140 122.820 0.249 0.000 1.940 1268 A HA -0.234 4.086 4.320 0.000 0.000 0.219 1268 A C 2.592 180.356 177.584 0.300 0.000 1.176 1268 A CA 1.820 53.870 52.037 0.021 0.000 0.631 1268 A CB -0.594 18.115 19.000 -0.485 0.000 0.814 1268 A HN 0.459 nan 8.150 nan 0.000 0.446 1269 A N 0.503 123.591 122.820 0.447 0.000 1.853 1269 A HA -0.439 3.881 4.320 0.000 0.000 0.255 1269 A C 2.519 180.301 177.584 0.329 0.000 2.273 1269 A CA 3.982 56.171 52.037 0.252 0.000 0.797 1269 A CB -1.814 17.137 19.000 -0.083 0.000 0.844 1269 A HN 1.481 nan 8.150 nan 0.000 0.520 1270 S N 0.129 115.978 115.700 0.248 0.000 2.389 1270 S HA -0.237 4.233 4.470 0.000 0.000 0.231 1270 S C 1.799 176.545 174.600 0.244 0.000 1.052 1270 S CA 1.892 60.245 58.200 0.255 0.000 1.053 1270 S CB -1.004 62.309 63.200 0.188 0.000 0.886 1270 S HN 0.592 nan 8.310 nan 0.000 0.456 1271 I N 0.193 120.904 120.570 0.235 0.000 2.394 1271 I HA -0.086 4.084 4.170 0.000 0.000 0.251 1271 I C 2.381 178.588 176.117 0.150 0.000 1.136 1271 I CA 1.408 62.814 61.300 0.176 0.000 1.425 1271 I CB -0.568 37.525 38.000 0.155 0.000 1.079 1271 I HN 0.245 nan 8.210 nan 0.000 0.425 1272 F N 1.943 121.875 119.950 -0.030 0.000 2.102 1272 F HA -0.207 4.320 4.527 0.000 0.000 0.298 1272 F C 2.056 177.662 175.800 -0.324 0.000 1.105 1272 F CA 1.622 59.479 58.000 -0.238 0.000 1.239 1272 F CB -0.548 38.181 39.000 -0.450 0.000 0.991 1272 F HN -0.111 nan 8.300 nan 0.000 0.474 1273 F N -0.061 119.867 119.950 -0.037 0.000 2.367 1273 F HA 0.123 4.650 4.527 0.000 0.000 0.298 1273 F C 2.458 178.198 175.800 -0.099 0.000 1.094 1273 F CA 0.792 58.695 58.000 -0.163 0.000 1.409 1273 F CB -1.079 37.895 39.000 -0.043 0.000 1.064 1273 F HN 0.039 nan 8.300 nan 0.000 0.528 1274 A N 0.186 123.058 122.820 0.088 0.000 2.014 1274 A HA -0.057 4.264 4.320 0.000 0.000 0.218 1274 A C 2.167 179.743 177.584 -0.014 0.000 1.163 1274 A CA 1.108 53.179 52.037 0.058 0.000 0.652 1274 A CB -0.870 18.173 19.000 0.071 0.000 0.808 1274 A HN 0.395 nan 8.150 nan 0.000 0.449 1275 I N -0.792 119.722 120.570 -0.092 0.000 2.286 1275 I HA -0.201 3.969 4.170 0.000 0.000 0.245 1275 I C 2.494 178.512 176.117 -0.165 0.000 1.104 1275 I CA 1.247 62.454 61.300 -0.154 0.000 1.397 1275 I CB -0.190 37.675 38.000 -0.224 0.000 1.072 1275 I HN 0.284 nan 8.210 nan 0.000 0.417 1276 K N 0.749 120.982 120.400 -0.279 0.000 2.152 1276 K HA -0.250 4.070 4.320 0.000 0.000 0.206 1276 K C 1.548 178.157 176.600 0.016 0.000 1.048 1276 K CA 1.886 58.068 56.287 -0.176 0.000 0.933 1276 K CB -0.085 32.214 32.500 -0.335 0.000 0.721 1276 K HN 0.226 nan 8.250 nan 0.000 0.447 1277 D N -0.286 120.123 120.400 0.016 0.000 2.084 1277 D HA -0.117 4.523 4.640 0.000 0.000 0.194 1277 D C 1.662 177.999 176.300 0.062 0.000 0.990 1277 D CA 1.537 55.569 54.000 0.054 0.000 0.826 1277 D CB 0.032 40.862 40.800 0.050 0.000 0.971 1277 D HN 0.284 nan 8.370 nan 0.000 0.453 1278 A N 0.325 123.171 122.820 0.042 0.000 1.930 1278 A HA -0.094 4.227 4.320 0.000 0.000 0.217 1278 A C 2.231 179.850 177.584 0.058 0.000 1.175 1278 A CA 0.652 52.722 52.037 0.055 0.000 0.627 1278 A CB -0.614 18.419 19.000 0.055 0.000 0.815 1278 A HN 0.242 nan 8.150 nan 0.000 0.443 1279 I N -0.572 120.030 120.570 0.053 0.000 2.113 1279 I HA -0.340 3.830 4.170 0.000 0.000 0.242 1279 I C 2.685 178.847 176.117 0.075 0.000 1.064 1279 I CA 1.690 63.022 61.300 0.052 0.000 1.320 1279 I CB -0.911 37.143 38.000 0.091 0.000 1.028 1279 I HN 0.375 nan 8.210 nan 0.000 0.406 1280 R N 0.809 121.419 120.500 0.183 0.000 2.196 1280 R HA -0.265 4.075 4.340 0.000 0.000 0.234 1280 R C 2.318 178.661 176.300 0.072 0.000 1.113 1280 R CA 2.184 58.388 56.100 0.172 0.000 0.899 1280 R CB -1.165 29.221 30.300 0.143 0.000 0.863 1280 R HN 0.468 nan 8.270 nan 0.000 0.430 1281 A N 0.616 123.470 122.820 0.056 0.000 2.009 1281 A HA -0.224 4.096 4.320 0.000 0.000 0.222 1281 A C 2.271 179.851 177.584 -0.006 0.000 1.175 1281 A CA 2.416 54.467 52.037 0.024 0.000 0.651 1281 A CB -0.550 18.474 19.000 0.039 0.000 0.815 1281 A HN 0.569 nan 8.150 nan 0.000 0.459 1282 A N -1.363 121.464 122.820 0.012 0.000 2.030 1282 A HA 0.115 4.435 4.320 0.000 0.000 0.215 1282 A C 2.130 179.722 177.584 0.013 0.000 1.164 1282 A CA 0.885 52.934 52.037 0.021 0.000 0.697 1282 A CB -0.251 18.792 19.000 0.072 0.000 0.827 1282 A HN 0.515 nan 8.150 nan 0.000 0.457 1283 R N -0.262 120.220 120.500 -0.029 0.000 2.075 1283 R HA -0.065 4.275 4.340 0.000 0.000 0.232 1283 R C 2.400 178.670 176.300 -0.049 0.000 1.126 1283 R CA 1.308 57.374 56.100 -0.057 0.000 0.963 1283 R CB -0.322 29.912 30.300 -0.109 0.000 0.858 1283 R HN 0.484 nan 8.270 nan 0.000 0.435 1284 A N 0.452 123.244 122.820 -0.046 0.000 1.929 1284 A HA -0.203 4.118 4.320 0.000 0.000 0.216 1284 A C 2.029 179.534 177.584 -0.132 0.000 1.176 1284 A CA 1.101 53.101 52.037 -0.061 0.000 0.628 1284 A CB -0.382 18.600 19.000 -0.031 0.000 0.816 1284 A HN 0.325 nan 8.150 nan 0.000 0.444 1285 Q N -0.368 119.305 119.800 -0.212 0.000 1.956 1285 Q HA -0.233 4.107 4.340 0.000 0.000 0.208 1285 Q C 0.851 176.534 176.000 -0.528 0.000 0.998 1285 Q CA 2.250 57.796 55.803 -0.428 0.000 0.855 1285 Q CB -0.229 28.132 28.738 -0.629 0.000 0.928 1285 Q HN 0.845 nan 8.270 nan 0.000 0.418 1286 H N -1.432 117.528 119.070 -0.183 0.000 2.610 1286 H HA 0.184 4.740 4.556 0.000 0.000 0.302 1286 H C 0.002 175.255 175.328 -0.126 0.000 1.063 1286 H CA 0.461 56.406 56.048 -0.170 0.000 1.159 1286 H CB 0.399 30.042 29.762 -0.199 0.000 1.427 1286 H HN 0.082 nan 8.280 nan 0.000 0.553 1287 T N -0.466 114.063 114.554 -0.042 0.000 3.182 1287 T HA 0.283 4.633 4.350 0.000 0.000 0.277 1287 T C 1.680 176.355 174.700 -0.042 0.000 1.013 1287 T CA 0.513 62.592 62.100 -0.036 0.000 0.900 1287 T CB -0.306 68.540 68.868 -0.036 0.000 1.098 1287 T HN 0.729 nan 8.240 nan 0.000 0.543 1288 G N 2.871 111.636 108.800 -0.058 0.000 4.011 1288 G HA2 -0.483 3.477 3.960 0.000 0.000 0.348 1288 G HA3 -0.483 3.477 3.960 0.000 0.000 0.348 1288 G C 0.871 175.737 174.900 -0.057 0.000 1.310 1288 G CA 1.332 46.396 45.100 -0.059 0.000 1.056 1288 G HN 0.662 nan 8.290 nan 0.000 0.728 1289 N N 1.405 120.083 118.700 -0.037 0.000 2.514 1289 N HA 0.151 4.892 4.740 0.000 0.000 0.232 1289 N C 0.364 175.866 175.510 -0.013 0.000 1.107 1289 N CA 0.796 53.830 53.050 -0.026 0.000 1.174 1289 N CB -0.948 37.528 38.487 -0.019 0.000 1.545 1289 N HN 0.926 nan 8.380 nan 0.000 0.591 1290 N N 0.229 118.928 118.700 -0.001 0.000 2.441 1290 N HA -0.106 4.634 4.740 0.000 0.000 0.292 1290 N C 1.052 176.577 175.510 0.025 0.000 1.378 1290 N CA 0.732 53.791 53.050 0.015 0.000 0.651 1290 N CB -1.633 36.866 38.487 0.021 0.000 0.926 1290 N HN 0.497 nan 8.380 nan 0.000 0.517 1291 V N 0.796 120.723 119.914 0.022 0.000 2.282 1291 V HA -0.307 3.813 4.120 0.000 0.000 0.241 1291 V C 1.061 177.177 176.094 0.036 0.000 1.005 1291 V CA 1.668 63.982 62.300 0.024 0.000 1.033 1291 V CB -0.324 31.511 31.823 0.021 0.000 0.677 1291 V HN 0.652 nan 8.190 nan 0.000 0.494 1292 K N 0.286 120.712 120.400 0.043 0.000 2.682 1292 K HA 0.323 4.643 4.320 0.000 0.000 0.189 1292 K C -0.387 176.252 176.600 0.064 0.000 1.062 1292 K CA -0.377 55.941 56.287 0.053 0.000 0.997 1292 K CB 0.629 33.158 32.500 0.048 0.000 1.405 1292 K HN 0.397 nan 8.250 nan 0.000 0.588 1293 E N 1.684 121.938 120.200 0.090 0.000 3.048 1293 E HA -0.171 4.179 4.350 0.000 0.000 0.280 1293 E C -0.322 176.343 176.600 0.108 0.000 0.905 1293 E CA 0.926 57.410 56.400 0.139 0.000 0.977 1293 E CB 0.509 30.362 29.700 0.256 0.000 0.954 1293 E HN 0.443 nan 8.360 nan 0.000 0.500 1294 L N 5.559 126.851 121.223 0.114 0.000 2.417 1294 L HA 0.283 4.623 4.340 0.000 0.000 0.259 1294 L C -0.577 176.340 176.870 0.078 0.000 1.023 1294 L CA -0.662 54.202 54.840 0.041 0.000 0.901 1294 L CB 0.053 42.133 42.059 0.035 0.000 1.227 1294 L HN 0.330 nan 8.230 nan 0.000 0.454 1295 F N 0.429 120.411 119.950 0.053 0.000 2.480 1295 F HA 0.650 5.177 4.527 0.000 0.000 0.329 1295 F C 0.389 176.227 175.800 0.063 0.000 1.091 1295 F CA -1.586 56.443 58.000 0.048 0.000 0.972 1295 F CB 0.680 39.697 39.000 0.029 0.000 1.150 1295 F HN 0.235 nan 8.300 nan 0.000 0.467 1296 R N 3.226 123.893 120.500 0.277 0.000 2.633 1296 R HA 0.235 4.575 4.340 0.000 0.000 0.357 1296 R C -1.612 174.845 176.300 0.261 0.000 0.923 1296 R CA 0.107 56.337 56.100 0.216 0.000 1.046 1296 R CB -0.852 29.555 30.300 0.178 0.000 0.924 1296 R HN 0.818 nan 8.270 nan 0.000 0.413 1297 L N 4.018 125.356 121.223 0.193 0.000 2.333 1297 L HA 0.481 4.821 4.340 0.000 0.000 0.280 1297 L C -0.942 176.060 176.870 0.219 0.000 1.004 1297 L CA -0.333 54.620 54.840 0.189 0.000 0.820 1297 L CB 1.756 43.890 42.059 0.125 0.000 1.247 1297 L HN 0.578 nan 8.230 nan 0.000 0.416 1298 D N 1.703 122.221 120.400 0.196 0.000 2.198 1298 D HA 0.289 4.929 4.640 0.000 0.000 0.247 1298 D C -0.752 175.593 176.300 0.076 0.000 1.010 1298 D CA -0.056 54.033 54.000 0.148 0.000 0.880 1298 D CB 2.120 43.007 40.800 0.144 0.000 1.209 1298 D HN 0.431 nan 8.370 nan 0.000 0.451 1299 S N 1.993 117.635 115.700 -0.097 0.000 2.411 1299 S HA 0.616 5.086 4.470 0.000 0.000 0.294 1299 S C -2.761 171.741 174.600 -0.162 0.000 1.115 1299 S CA -1.051 57.015 58.200 -0.222 0.000 1.071 1299 S CB 0.687 63.645 63.200 -0.403 0.000 0.967 1299 S HN 0.139 nan 8.310 nan 0.000 0.488 1300 P HA 0.416 nan 4.420 nan 0.000 0.319 1300 P C -1.465 175.847 177.300 0.019 0.000 1.523 1300 P CA -0.708 62.365 63.100 -0.045 0.000 1.207 1300 P CB 1.773 33.455 31.700 -0.029 0.000 1.493 1301 A N 2.341 125.210 122.820 0.082 0.000 2.981 1301 A HA 0.418 4.738 4.320 0.000 0.000 0.280 1301 A C 0.657 178.258 177.584 0.028 0.000 1.743 1301 A CA 0.124 52.219 52.037 0.098 0.000 1.430 1301 A CB -1.405 17.705 19.000 0.183 0.000 1.085 1301 A HN 0.545 nan 8.150 nan 0.000 0.597 1302 T N 0.325 114.884 114.554 0.007 0.000 2.860 1302 T HA 0.291 4.642 4.350 0.000 0.000 0.299 1302 T C -1.558 173.100 174.700 -0.070 0.000 1.045 1302 T CA -1.318 60.777 62.100 -0.008 0.000 1.071 1302 T CB 0.386 69.252 68.868 -0.002 0.000 0.985 1302 T HN 0.228 nan 8.240 nan 0.000 0.537 1303 P HA -0.288 nan 4.420 nan 0.000 0.226 1303 P C 1.418 178.378 177.300 -0.566 0.000 1.154 1303 P CA 1.684 64.710 63.100 -0.124 0.000 0.901 1303 P CB 0.111 31.842 31.700 0.052 0.000 0.788 1304 E N -0.359 119.407 120.200 -0.724 0.000 2.008 1304 E HA -0.186 4.164 4.350 0.000 0.000 0.191 1304 E C 1.883 178.152 176.600 -0.551 0.000 0.986 1304 E CA 1.182 56.897 56.400 -1.142 0.000 0.807 1304 E CB -0.238 29.192 29.700 -0.450 0.000 0.766 1304 E HN 0.110 nan 8.360 nan 0.000 0.450 1305 K N 0.132 120.375 120.400 -0.261 0.000 2.280 1305 K HA -0.069 4.251 4.320 0.000 0.000 0.202 1305 K C 2.081 178.608 176.600 -0.122 0.000 1.047 1305 K CA 0.851 57.059 56.287 -0.132 0.000 0.942 1305 K CB 0.026 32.503 32.500 -0.040 0.000 0.739 1305 K HN 0.274 nan 8.250 nan 0.000 0.457 1306 I N -0.137 120.344 120.570 -0.148 0.000 2.339 1306 I HA -0.179 3.991 4.170 0.000 0.000 0.245 1306 I C 2.419 178.471 176.117 -0.108 0.000 1.096 1306 I CA 0.568 61.806 61.300 -0.102 0.000 1.408 1306 I CB -0.057 37.892 38.000 -0.085 0.000 1.092 1306 I HN 0.038 nan 8.210 nan 0.000 0.423 1307 R N 1.872 122.276 120.500 -0.160 0.000 2.083 1307 R HA -0.171 4.169 4.340 0.000 0.000 0.237 1307 R C 1.941 178.203 176.300 -0.063 0.000 1.137 1307 R CA 1.785 57.834 56.100 -0.085 0.000 0.951 1307 R CB -0.822 29.446 30.300 -0.053 0.000 0.851 1307 R HN 0.243 nan 8.270 nan 0.000 0.434 1308 N N 0.188 118.822 118.700 -0.109 0.000 2.132 1308 N HA -0.170 4.570 4.740 0.000 0.000 0.191 1308 N C 0.976 176.448 175.510 -0.063 0.000 1.015 1308 N CA 1.889 54.903 53.050 -0.059 0.000 0.864 1308 N CB -0.374 38.071 38.487 -0.069 0.000 1.006 1308 N HN 0.409 nan 8.380 nan 0.000 0.430 1309 A N -1.097 121.666 122.820 -0.095 0.000 2.345 1309 A HA 0.176 4.496 4.320 0.000 0.000 0.225 1309 A C 0.522 177.998 177.584 -0.180 0.000 1.243 1309 A CA -0.249 51.694 52.037 -0.155 0.000 0.875 1309 A CB -0.058 18.835 19.000 -0.178 0.000 0.929 1309 A HN 0.283 nan 8.150 nan 0.000 0.502 1310 C N 2.025 121.263 119.300 -0.103 0.000 2.328 1310 C HA 0.436 4.896 4.460 0.000 0.000 0.446 1310 C C 0.631 175.586 174.990 -0.059 0.000 1.090 1310 C CA -0.944 58.031 59.018 -0.072 0.000 1.510 1310 C CB -1.823 25.911 27.740 -0.011 0.000 1.543 1310 C HN 0.394 nan 8.230 nan 0.000 0.533 1311 V N 2.999 122.863 119.914 -0.084 0.000 2.811 1311 V HA 0.550 4.670 4.120 0.000 0.000 0.302 1311 V C 0.033 176.075 176.094 -0.087 0.000 1.063 1311 V CA 0.162 62.415 62.300 -0.079 0.000 1.088 1311 V CB 1.062 32.836 31.823 -0.082 0.000 0.982 1311 V HN 0.904 nan 8.190 nan 0.000 0.485 1312 D N 0.277 120.595 120.400 -0.137 0.000 2.827 1312 D HA 0.206 4.847 4.640 0.000 0.000 0.336 1312 D C 0.439 176.549 176.300 -0.316 0.000 1.374 1312 D CA -0.769 53.080 54.000 -0.252 0.000 0.794 1312 D CB 0.654 41.186 40.800 -0.446 0.000 1.364 1312 D HN 0.195 nan 8.370 nan 0.000 0.464 1313 K N -0.365 119.735 120.400 -0.500 0.000 2.081 1313 K HA -0.255 4.065 4.320 0.000 0.000 0.222 1313 K C 1.690 178.108 176.600 -0.305 0.000 1.055 1313 K CA 2.605 58.583 56.287 -0.515 0.000 0.954 1313 K CB -0.636 31.352 32.500 -0.853 0.000 0.732 1313 K HN 0.452 nan 8.250 nan 0.000 0.458 1314 F N -0.074 119.809 119.950 -0.112 0.000 2.473 1314 F HA -0.079 4.448 4.527 0.000 0.000 0.294 1314 F C 2.919 178.677 175.800 -0.069 0.000 1.103 1314 F CA 0.736 58.675 58.000 -0.102 0.000 1.442 1314 F CB -0.661 38.251 39.000 -0.147 0.000 1.097 1314 F HN 0.170 nan 8.300 nan 0.000 0.547 1315 T N -1.003 113.580 114.554 0.049 0.000 2.777 1315 T HA -0.166 4.184 4.350 0.000 0.000 0.266 1315 T C 1.847 176.560 174.700 0.021 0.000 1.040 1315 T CA 2.060 64.179 62.100 0.031 0.000 1.141 1315 T CB -0.923 67.940 68.868 -0.009 0.000 0.868 1315 T HN 0.232 nan 8.240 nan 0.000 0.444 1316 T N 2.486 117.038 114.554 -0.004 0.000 2.946 1316 T HA 0.098 4.449 4.350 0.000 0.000 0.271 1316 T C 1.737 176.447 174.700 0.017 0.000 1.104 1316 T CA 0.955 63.053 62.100 -0.003 0.000 1.114 1316 T CB -0.378 68.474 68.868 -0.028 0.000 0.867 1316 T HN 0.378 nan 8.240 nan 0.000 0.513 1317 L N 0.023 121.272 121.223 0.043 0.000 2.509 1317 L HA 0.121 4.461 4.340 0.000 0.000 0.222 1317 L C 1.828 178.722 176.870 0.039 0.000 1.123 1317 L CA 0.381 55.247 54.840 0.044 0.000 0.856 1317 L CB -0.396 41.702 42.059 0.065 0.000 0.985 1317 L HN 0.418 nan 8.230 nan 0.000 0.456 1318 c N -2.490 116.135 118.600 0.042 0.000 2.791 1318 c HA 0.140 4.710 4.570 0.000 0.000 0.288 1318 c C 2.264 176.383 174.090 0.049 0.000 1.271 1318 c CA -0.661 55.696 56.329 0.046 0.000 1.726 1318 c CB 0.473 43.007 42.510 0.040 0.000 2.145 1318 c HN 0.328 nan 8.230 nan 0.000 0.572 1319 V N 1.833 121.769 119.914 0.036 0.000 2.283 1319 V HA -0.328 3.792 4.120 0.000 0.000 0.175 1319 V C 0.799 176.911 176.094 0.031 0.000 0.848 1319 V CA 2.748 65.065 62.300 0.029 0.000 1.558 1319 V CB -0.855 30.978 31.823 0.016 0.000 0.831 1319 V HN 0.725 nan 8.190 nan 0.000 0.485 1329 W N 0.000 121.368 121.300 0.114 0.000 2.388 1329 W HA 0.000 4.660 4.660 0.000 0.000 0.303 1329 W CA 0.000 57.453 57.345 0.180 0.000 1.226 1329 W CB 0.000 29.546 29.460 0.144 0.000 1.126 1329 W HN 0.000 nan 8.180 nan 0.000 0.535