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 1qha_1_A DATA FIRST_RESID 12 DATA SEQUENCE TELKDDQVKK IDKYLYAMRL SDETLIDIMT RFRKEMKNGL SRDFNPTATV DATA SEQUENCE KMLPTFVRSI PDGSEKGDFI ALDLGGSSFR ILRVQVNHEK NQNVHMESEV DATA SEQUENCE YDTPENIVHG SGSQLFDHVA ECLGDFMEKR KIKDKKLPVG FTFSFPCQQS DATA SEQUENCE KIDEAILITW TKRFKASGVE GADVVKLLNK AIKKRGDYDA NIVAVVNDTV DATA SEQUENCE GTMMTCGYDD QHCEVGLIIG TGTNACYMEE LRHIDLVEGD EGRMCINTEW DATA SEQUENCE GAFGDDGSLE DIRTEFDREI DRGSLNPGKQ LFEKMVSGMY LGELVRLILV DATA SEQUENCE KMAKEGLLFE GRITPELLTR GKFNTSDVSA IEKNKEGLHN AKEILTRLGV DATA SEQUENCE EPSDDDCVSV QHVCTIVSFR SANLVAATLG AILNRLRDNK GTPRLRTTVG DATA SEQUENCE VDGSLYKTHP QYSRRFHKTL RRLVPDSDVR FLLSESGSGK GAAMVTAVAY DATA SEQUENCE RLAEQHRQIE ETLAHFHLTK DMLLEVKKRM RAEMELGLRK QTHNNAVVKM DATA SEQUENCE LPSFVRRTPD GTENGDFLAL DLGGTNFRVL LVKIRSGKKR TVEMHNKIYA DATA SEQUENCE IPIEIMQGTG EELFDHIVSC ISDFLDYMGI KGPRMPLGFT FSFPCQQTSL DATA SEQUENCE DAGILITWTK GFKATDCVGH DVVTLLRDAI KRREEFDLDV VAVVNDTVGT DATA SEQUENCE MMTCAYEEPT CEVGLIVGTG SNACYMEEMK NVEMVEGDQG QMCINMEWGA DATA SEQUENCE FGDNGCLDDI RTHYDRLVNE YSLNAGKQRY EKMISGMYLG EIVRNILIDF DATA SEQUENCE TKKGFLFRGQ ISETLKTRGI FETKFLSQIE SDRLALLQVR AILQQLGLNS DATA SEQUENCE TCDDSILVKT VCGVVSRRAA QLCGAGMAAV VDKIRENRGL DRLNVTVGVD DATA SEQUENCE GTLYKLHPHF SRIMHQTVKE LSPKCNVSFL LSEDGSGKGA ALITAVGVRL DATA SEQUENCE RTE 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 12 T HA 0.000 nan 4.350 nan 0.000 0.228 12 T C 0.000 174.699 174.700 -0.002 0.000 1.109 12 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 12 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 13 E N 1.609 121.807 120.200 -0.003 0.000 2.121 13 E HA 0.542 4.905 4.350 0.022 0.000 0.255 13 E C -1.285 175.313 176.600 -0.004 0.000 0.906 13 E CA -0.623 55.775 56.400 -0.003 0.000 0.745 13 E CB -0.128 29.570 29.700 -0.004 0.000 1.155 13 E HN 0.310 nan 8.360 nan 0.000 0.424 14 L N 4.127 125.348 121.223 -0.004 0.000 2.462 14 L HA 0.198 4.551 4.340 0.022 0.000 0.272 14 L C 0.320 177.187 176.870 -0.005 0.000 1.166 14 L CA 0.550 55.388 54.840 -0.004 0.000 0.880 14 L CB 0.230 42.287 42.059 -0.004 0.000 1.142 14 L HN 0.480 nan 8.230 nan 0.000 0.473 15 K N 2.425 122.822 120.400 -0.006 0.000 2.159 15 K HA 0.264 4.597 4.320 0.022 0.000 0.266 15 K C -0.767 175.829 176.600 -0.007 0.000 0.975 15 K CA -0.928 55.355 56.287 -0.006 0.000 0.865 15 K CB 1.246 33.742 32.500 -0.006 0.000 1.087 15 K HN 0.460 nan 8.250 nan 0.000 0.446 16 D N 1.951 122.348 120.400 -0.006 0.000 2.488 16 D HA -0.014 4.639 4.640 0.022 0.000 0.238 16 D C 0.328 176.621 176.300 -0.011 0.000 1.138 16 D CA 0.234 54.231 54.000 -0.006 0.000 0.873 16 D CB 0.454 41.255 40.800 0.000 0.000 1.183 16 D HN 0.413 nan 8.370 nan 0.000 0.458 17 D N 0.464 120.854 120.400 -0.018 0.000 2.569 17 D HA 0.074 4.727 4.640 0.022 0.000 0.266 17 D C 0.984 177.266 176.300 -0.030 0.000 1.164 17 D CA -0.579 53.406 54.000 -0.025 0.000 1.071 17 D CB 0.570 41.351 40.800 -0.032 0.000 1.183 17 D HN 0.012 nan 8.370 nan 0.000 0.613 18 Q N -0.338 119.439 119.800 -0.038 0.000 2.062 18 Q HA -0.112 4.241 4.340 0.022 0.000 0.209 18 Q C 2.221 178.200 176.000 -0.036 0.000 0.996 18 Q CA 1.358 57.138 55.803 -0.039 0.000 0.859 18 Q CB -0.905 27.807 28.738 -0.043 0.000 0.920 18 Q HN 0.469 nan 8.270 nan 0.000 0.415 19 V N 1.503 121.360 119.914 -0.095 0.000 2.250 19 V HA -0.323 3.810 4.120 0.022 0.000 0.250 19 V C 2.318 178.362 176.094 -0.084 0.000 1.060 19 V CA 2.372 64.541 62.300 -0.218 0.000 1.030 19 V CB -0.509 31.098 31.823 -0.359 0.000 0.643 19 V HN 0.407 nan 8.190 nan 0.000 0.445 20 K N -0.333 120.042 120.400 -0.042 0.000 2.097 20 K HA -0.203 4.130 4.320 0.022 0.000 0.206 20 K C 2.247 178.879 176.600 0.053 0.000 1.049 20 K CA 1.472 57.767 56.287 0.014 0.000 0.933 20 K CB -0.240 32.263 32.500 0.004 0.000 0.717 20 K HN 0.341 nan 8.250 nan 0.000 0.442 21 K N 0.925 121.350 120.400 0.042 0.000 2.057 21 K HA -0.035 4.298 4.320 0.022 0.000 0.207 21 K C 1.990 178.659 176.600 0.115 0.000 1.049 21 K CA 1.137 57.461 56.287 0.062 0.000 0.931 21 K CB -0.007 32.510 32.500 0.028 0.000 0.714 21 K HN 0.075 nan 8.250 nan 0.000 0.440 22 I N 1.303 121.942 120.570 0.114 0.000 2.286 22 I HA -0.281 3.902 4.170 0.022 0.000 0.248 22 I C 1.384 177.627 176.117 0.210 0.000 1.115 22 I CA 1.172 62.568 61.300 0.161 0.000 1.392 22 I CB -0.398 37.716 38.000 0.190 0.000 1.065 22 I HN 0.216 nan 8.210 nan 0.000 0.418 23 D N 1.036 121.577 120.400 0.235 0.000 2.182 23 D HA -0.186 4.467 4.640 0.022 0.000 0.201 23 D C 2.100 178.523 176.300 0.204 0.000 0.986 23 D CA 1.286 55.409 54.000 0.206 0.000 0.847 23 D CB -0.068 40.852 40.800 0.200 0.000 0.942 23 D HN 0.238 nan 8.370 nan 0.000 0.467 24 K N -0.359 120.146 120.400 0.176 0.000 2.007 24 K HA -0.113 4.220 4.320 0.022 0.000 0.206 24 K C 2.101 178.803 176.600 0.170 0.000 1.047 24 K CA 0.540 56.911 56.287 0.139 0.000 0.937 24 K CB -0.444 32.103 32.500 0.079 0.000 0.718 24 K HN 0.055 nan 8.250 nan 0.000 0.438 25 Y N 0.700 121.042 120.300 0.070 0.000 2.102 25 Y HA -0.174 4.389 4.550 0.021 0.000 0.280 25 Y C 0.980 176.950 175.900 0.116 0.000 1.178 25 Y CA 1.651 59.796 58.100 0.074 0.000 1.146 25 Y CB 0.148 38.636 38.460 0.048 0.000 0.968 25 Y HN -0.021 nan 8.280 nan 0.000 0.504 26 L N -0.076 121.303 121.223 0.259 0.000 2.848 26 L HA 0.017 4.370 4.340 0.022 0.000 0.240 26 L C 1.159 178.113 176.870 0.140 0.000 1.232 26 L CA -0.234 54.714 54.840 0.179 0.000 1.031 26 L CB -0.558 41.567 42.059 0.109 0.000 1.338 26 L HN 0.273 nan 8.230 nan 0.000 0.509 27 Y N 2.044 122.358 120.300 0.023 0.000 2.102 27 Y HA -0.394 4.169 4.550 0.022 0.000 0.280 27 Y C 2.377 178.271 175.900 -0.010 0.000 1.178 27 Y CA 1.792 59.892 58.100 0.000 0.000 1.146 27 Y CB 0.019 38.472 38.460 -0.010 0.000 0.968 27 Y HN 0.294 nan 8.280 nan 0.000 0.504 28 A N -0.261 122.568 122.820 0.014 0.000 2.125 28 A HA -0.156 4.177 4.320 0.022 0.000 0.219 28 A C 2.077 179.599 177.584 -0.103 0.000 1.156 28 A CA 1.756 53.751 52.037 -0.070 0.000 0.671 28 A CB -0.755 18.263 19.000 0.029 0.000 0.794 28 A HN 0.627 nan 8.150 nan 0.000 0.459 29 M N -1.132 118.423 119.600 -0.075 0.000 2.441 29 M HA 0.112 4.605 4.480 0.022 0.000 0.244 29 M C 0.148 176.366 176.300 -0.137 0.000 1.122 29 M CA 0.222 55.476 55.300 -0.076 0.000 1.041 29 M CB 0.320 32.902 32.600 -0.030 0.000 1.438 29 M HN 0.132 nan 8.290 nan 0.000 0.484 30 R N 2.110 122.486 120.500 -0.207 0.000 2.296 30 R HA 0.451 4.804 4.340 0.022 0.000 0.327 30 R C -1.029 175.104 176.300 -0.278 0.000 1.137 30 R CA -0.119 55.839 56.100 -0.237 0.000 1.020 30 R CB 0.384 30.562 30.300 -0.205 0.000 1.110 30 R HN 0.245 nan 8.270 nan 0.000 0.499 31 L N 2.813 123.905 121.223 -0.218 0.000 2.257 31 L HA 0.273 4.626 4.340 0.022 0.000 0.290 31 L C 0.804 177.581 176.870 -0.155 0.000 1.044 31 L CA -0.561 54.173 54.840 -0.176 0.000 0.810 31 L CB 1.372 43.362 42.059 -0.115 0.000 1.193 31 L HN 0.587 nan 8.230 nan 0.000 0.425 32 S N 0.309 115.928 115.700 -0.134 0.000 2.624 32 S HA 0.124 4.607 4.470 0.022 0.000 0.263 32 S C 0.623 175.187 174.600 -0.059 0.000 1.287 32 S CA -0.701 57.442 58.200 -0.096 0.000 0.990 32 S CB 1.352 64.507 63.200 -0.075 0.000 0.950 32 S HN 0.583 nan 8.310 nan 0.000 0.561 33 D N 1.339 121.714 120.400 -0.041 0.000 2.133 33 D HA -0.141 4.512 4.640 0.022 0.000 0.195 33 D C 2.071 178.363 176.300 -0.013 0.000 0.997 33 D CA 1.753 55.741 54.000 -0.020 0.000 0.840 33 D CB -0.250 40.543 40.800 -0.011 0.000 0.947 33 D HN 0.775 nan 8.370 nan 0.000 0.452 34 E N 0.097 120.287 120.200 -0.016 0.000 2.118 34 E HA -0.181 4.181 4.350 0.022 0.000 0.195 34 E C 2.099 178.692 176.600 -0.011 0.000 0.992 34 E CA 1.509 57.903 56.400 -0.010 0.000 0.804 34 E CB -1.204 28.491 29.700 -0.008 0.000 0.741 34 E HN 0.416 nan 8.360 nan 0.000 0.458 35 T N -0.197 114.343 114.554 -0.024 0.000 2.985 35 T HA 0.039 4.402 4.350 0.022 0.000 0.266 35 T C 2.027 176.724 174.700 -0.005 0.000 1.076 35 T CA 0.347 62.434 62.100 -0.022 0.000 1.135 35 T CB -0.149 68.694 68.868 -0.041 0.000 0.890 35 T HN 0.115 nan 8.240 nan 0.000 0.480 36 L N -0.204 121.017 121.223 -0.003 0.000 2.209 36 L HA 0.246 4.599 4.340 0.022 0.000 0.207 36 L C 2.559 179.446 176.870 0.028 0.000 1.094 36 L CA 0.645 55.496 54.840 0.017 0.000 0.790 36 L CB -0.344 41.724 42.059 0.015 0.000 0.932 36 L HN 0.241 nan 8.230 nan 0.000 0.447 37 I N 0.387 120.969 120.570 0.019 0.000 2.286 37 I HA -0.307 3.876 4.170 0.022 0.000 0.248 37 I C 2.266 178.399 176.117 0.027 0.000 1.115 37 I CA 1.412 62.725 61.300 0.021 0.000 1.392 37 I CB -0.230 37.777 38.000 0.013 0.000 1.065 37 I HN 0.314 nan 8.210 nan 0.000 0.418 38 D N 1.237 121.653 120.400 0.025 0.000 2.117 38 D HA -0.176 4.477 4.640 0.022 0.000 0.197 38 D C 2.134 178.471 176.300 0.061 0.000 0.987 38 D CA 1.588 55.607 54.000 0.031 0.000 0.829 38 D CB -0.099 40.712 40.800 0.018 0.000 0.961 38 D HN 0.330 nan 8.370 nan 0.000 0.460 39 I N 0.104 120.721 120.570 0.078 0.000 2.179 39 I HA -0.243 3.940 4.170 0.022 0.000 0.242 39 I C 2.715 178.937 176.117 0.174 0.000 1.088 39 I CA 0.943 62.331 61.300 0.147 0.000 1.357 39 I CB -0.332 37.743 38.000 0.124 0.000 1.051 39 I HN 0.150 nan 8.210 nan 0.000 0.409 40 M N 0.272 119.931 119.600 0.098 0.000 2.082 40 M HA -0.266 4.227 4.480 0.022 0.000 0.258 40 M C 2.320 178.666 176.300 0.077 0.000 1.069 40 M CA 2.232 57.580 55.300 0.081 0.000 1.102 40 M CB -0.276 32.355 32.600 0.051 0.000 1.336 40 M HN 0.208 nan 8.290 nan 0.000 0.404 41 T N 0.204 114.789 114.554 0.052 0.000 2.777 41 T HA -0.116 4.247 4.350 0.022 0.000 0.266 41 T C 1.695 176.404 174.700 0.016 0.000 1.040 41 T CA 1.426 63.537 62.100 0.019 0.000 1.141 41 T CB -0.269 68.607 68.868 0.014 0.000 0.868 41 T HN 0.463 nan 8.240 nan 0.000 0.444 42 R N 0.042 120.588 120.500 0.075 0.000 2.091 42 R HA -0.048 4.305 4.340 0.022 0.000 0.238 42 R C 2.177 178.487 176.300 0.018 0.000 1.136 42 R CA 1.456 57.622 56.100 0.109 0.000 0.959 42 R CB -0.522 29.937 30.300 0.264 0.000 0.856 42 R HN 0.354 nan 8.270 nan 0.000 0.437 43 F N 1.660 121.489 119.950 -0.203 0.000 2.186 43 F HA -0.136 4.403 4.527 0.021 0.000 0.299 43 F C 2.432 178.032 175.800 -0.333 0.000 1.090 43 F CA 1.293 58.935 58.000 -0.597 0.000 1.307 43 F CB -0.047 38.483 39.000 -0.782 0.000 1.019 43 F HN -0.219 nan 8.300 nan 0.000 0.489 44 R N 1.054 121.416 120.500 -0.230 0.000 2.105 44 R HA -0.190 4.163 4.340 0.022 0.000 0.239 44 R C 2.099 178.240 176.300 -0.264 0.000 1.135 44 R CA 1.749 57.712 56.100 -0.227 0.000 0.967 44 R CB -0.525 29.717 30.300 -0.097 0.000 0.861 44 R HN 0.149 nan 8.270 nan 0.000 0.442 45 K N 0.446 120.712 120.400 -0.224 0.000 2.243 45 K HA 0.014 4.347 4.320 0.022 0.000 0.201 45 K C 1.478 177.932 176.600 -0.243 0.000 1.051 45 K CA 1.287 57.456 56.287 -0.198 0.000 0.970 45 K CB 0.082 32.497 32.500 -0.142 0.000 0.755 45 K HN 0.174 nan 8.250 nan 0.000 0.465 46 E N 0.158 120.167 120.200 -0.318 0.000 2.106 46 E HA -0.115 4.248 4.350 0.022 0.000 0.192 46 E C 1.980 178.354 176.600 -0.377 0.000 0.984 46 E CA 1.059 57.261 56.400 -0.330 0.000 0.806 46 E CB -0.136 29.321 29.700 -0.406 0.000 0.750 46 E HN 0.394 nan 8.360 nan 0.000 0.458 47 M N 0.566 119.840 119.600 -0.543 0.000 2.086 47 M HA -0.165 4.328 4.480 0.022 0.000 0.261 47 M C 2.462 178.656 176.300 -0.177 0.000 1.067 47 M CA 1.392 56.461 55.300 -0.385 0.000 1.116 47 M CB -0.213 32.134 32.600 -0.421 0.000 1.348 47 M HN -0.063 nan 8.290 nan 0.000 0.407 48 K N 0.347 120.640 120.400 -0.178 0.000 2.026 48 K HA -0.195 4.138 4.320 0.022 0.000 0.208 48 K C 1.671 178.245 176.600 -0.042 0.000 1.048 48 K CA 1.645 57.873 56.287 -0.100 0.000 0.929 48 K CB -0.079 32.348 32.500 -0.121 0.000 0.713 48 K HN 0.190 nan 8.250 nan 0.000 0.439 49 N N 0.388 119.031 118.700 -0.095 0.000 2.037 49 N HA -0.164 4.589 4.740 0.022 0.000 0.196 49 N C 1.770 177.306 175.510 0.044 0.000 1.034 49 N CA 1.758 54.785 53.050 -0.038 0.000 0.861 49 N CB -0.866 37.542 38.487 -0.131 0.000 1.039 49 N HN 0.445 nan 8.380 nan 0.000 0.427 50 G N -0.009 108.781 108.800 -0.018 0.000 2.443 50 G HA2 -0.107 3.866 3.960 0.022 0.000 0.219 50 G HA3 -0.107 3.866 3.960 0.022 0.000 0.219 50 G C 1.555 176.473 174.900 0.030 0.000 1.131 50 G CA 0.329 45.436 45.100 0.012 0.000 0.775 50 G HN 0.271 nan 8.290 nan 0.000 0.547 51 L N 1.267 122.506 121.223 0.027 0.000 2.341 51 L HA 0.146 4.499 4.340 0.022 0.000 0.214 51 L C 1.703 178.601 176.870 0.047 0.000 1.115 51 L CA 0.331 55.192 54.840 0.034 0.000 0.820 51 L CB -0.101 41.981 42.059 0.040 0.000 0.944 51 L HN 0.245 nan 8.230 nan 0.000 0.452 52 S N 0.351 116.096 115.700 0.075 0.000 2.562 52 S HA 0.132 4.615 4.470 0.022 0.000 0.275 52 S C 1.277 175.892 174.600 0.025 0.000 1.281 52 S CA -0.833 57.407 58.200 0.067 0.000 1.045 52 S CB 1.216 64.494 63.200 0.130 0.000 0.962 52 S HN 0.337 nan 8.310 nan 0.000 0.503 53 R N 1.373 121.861 120.500 -0.019 0.000 2.237 53 R HA -0.084 4.269 4.340 0.022 0.000 0.219 53 R C -0.271 175.953 176.300 -0.126 0.000 1.080 53 R CA 1.356 57.427 56.100 -0.048 0.000 0.995 53 R CB -0.579 29.695 30.300 -0.043 0.000 0.875 53 R HN 0.625 nan 8.270 nan 0.000 0.462 54 D N -0.077 120.167 120.400 -0.260 0.000 2.347 54 D HA -0.013 4.640 4.640 0.022 0.000 0.213 54 D C 0.257 176.130 176.300 -0.713 0.000 0.985 54 D CA 0.788 54.455 54.000 -0.555 0.000 0.879 54 D CB 0.119 40.372 40.800 -0.912 0.000 0.919 54 D HN 0.336 nan 8.370 nan 0.000 0.526 55 F N -0.921 119.025 119.950 -0.006 0.000 2.880 55 F HA 0.203 4.742 4.527 0.021 0.000 0.328 55 F C 1.452 177.250 175.800 -0.003 0.000 1.146 55 F CA -0.637 57.360 58.000 -0.005 0.000 1.135 55 F CB -0.390 38.603 39.000 -0.012 0.000 1.151 55 F HN -0.237 nan 8.300 nan 0.000 0.523 56 N N 1.909 120.681 118.700 0.120 0.000 2.250 56 N HA -0.015 4.738 4.740 0.022 0.000 0.181 56 N C -0.951 174.601 175.510 0.070 0.000 1.017 56 N CA 0.970 54.072 53.050 0.086 0.000 0.866 56 N CB -0.529 37.989 38.487 0.051 0.000 0.985 56 N HN -0.018 nan 8.380 nan 0.000 0.429 57 P HA -0.039 nan 4.420 nan 0.000 0.222 57 P C 0.519 177.853 177.300 0.057 0.000 1.147 57 P CA 1.314 64.442 63.100 0.045 0.000 0.790 57 P CB -0.021 31.696 31.700 0.029 0.000 0.780 58 T N -5.341 109.259 114.554 0.076 0.000 3.044 58 T HA 0.486 4.849 4.350 0.022 0.000 0.260 58 T C 0.833 175.580 174.700 0.079 0.000 1.019 58 T CA -0.265 61.881 62.100 0.076 0.000 0.921 58 T CB -0.389 68.528 68.868 0.082 0.000 1.053 58 T HN 0.017 nan 8.240 nan 0.000 0.533 59 A N 2.106 124.976 122.820 0.084 0.000 2.520 59 A HA 0.443 4.776 4.320 0.022 0.000 0.235 59 A C 1.678 179.307 177.584 0.076 0.000 1.065 59 A CA 0.417 52.496 52.037 0.071 0.000 0.764 59 A CB 0.117 19.157 19.000 0.066 0.000 1.002 59 A HN 0.553 nan 8.150 nan 0.000 0.502 60 T N -0.892 113.716 114.554 0.089 0.000 3.051 60 T HA 0.139 4.502 4.350 0.022 0.000 0.255 60 T C 0.323 175.110 174.700 0.143 0.000 1.085 60 T CA 0.718 62.892 62.100 0.123 0.000 1.109 60 T CB -0.214 68.744 68.868 0.150 0.000 0.921 60 T HN 0.340 nan 8.240 nan 0.000 0.488 61 V N 2.898 122.879 119.914 0.111 0.000 2.284 61 V HA 0.294 4.427 4.120 0.022 0.000 0.260 61 V C 1.059 177.192 176.094 0.065 0.000 1.084 61 V CA -0.704 61.658 62.300 0.105 0.000 0.894 61 V CB 0.531 32.355 31.823 0.002 0.000 1.119 61 V HN 0.385 nan 8.190 nan 0.000 0.484 62 K N 3.392 123.842 120.400 0.084 0.000 2.360 62 K HA 0.012 4.344 4.320 0.022 0.000 0.201 62 K C 0.650 177.276 176.600 0.043 0.000 1.046 62 K CA 0.401 56.725 56.287 0.061 0.000 0.945 62 K CB -0.091 32.447 32.500 0.063 0.000 0.750 62 K HN 0.566 nan 8.250 nan 0.000 0.464 63 M N 0.716 120.345 119.600 0.047 0.000 2.460 63 M HA -0.202 4.291 4.480 0.022 0.000 0.182 63 M C -0.922 175.380 176.300 0.005 0.000 0.903 63 M CA 0.940 56.260 55.300 0.034 0.000 0.555 63 M CB -2.178 30.436 32.600 0.024 0.000 1.106 63 M HN 0.080 nan 8.290 nan 0.000 0.867 64 L N 1.638 122.860 121.223 -0.002 0.000 2.312 64 L HA 0.475 4.828 4.340 0.022 0.000 0.281 64 L C -1.727 175.114 176.870 -0.048 0.000 1.070 64 L CA -1.848 52.986 54.840 -0.009 0.000 0.805 64 L CB 0.843 42.909 42.059 0.012 0.000 1.174 64 L HN 0.125 nan 8.230 nan 0.000 0.434 65 P HA 0.093 nan 4.420 nan 0.000 0.271 65 P C 0.204 177.457 177.300 -0.078 0.000 1.216 65 P CA -0.151 62.863 63.100 -0.143 0.000 0.771 65 P CB 0.862 32.473 31.700 -0.149 0.000 0.864 66 T N -1.267 113.199 114.554 -0.147 0.000 3.003 66 T HA 0.224 4.587 4.350 0.022 0.000 0.261 66 T C 0.551 175.320 174.700 0.115 0.000 1.003 66 T CA -0.158 61.948 62.100 0.010 0.000 0.917 66 T CB -0.674 68.165 68.868 -0.048 0.000 1.084 66 T HN 0.207 nan 8.240 nan 0.000 0.522 67 F N 0.336 120.263 119.950 -0.040 0.000 2.914 67 F HA -0.180 4.357 4.527 0.017 0.000 0.304 67 F C 0.014 175.795 175.800 -0.031 0.000 0.712 67 F CA 0.011 57.993 58.000 -0.031 0.000 1.211 67 F CB -2.072 36.916 39.000 -0.019 0.000 1.515 67 F HN 0.131 nan 8.300 nan 0.000 0.350 68 V N 1.216 121.111 119.914 -0.032 0.000 2.348 68 V HA 0.245 4.378 4.120 0.022 0.000 0.270 68 V C 1.217 177.275 176.094 -0.060 0.000 1.037 68 V CA -0.267 62.021 62.300 -0.020 0.000 0.872 68 V CB 1.475 33.281 31.823 -0.029 0.000 1.002 68 V HN 0.195 nan 8.190 nan 0.000 0.464 69 R N 2.589 123.067 120.500 -0.036 0.000 2.280 69 R HA 0.226 4.579 4.340 0.022 0.000 0.195 69 R C 0.589 176.860 176.300 -0.047 0.000 0.935 69 R CA 0.612 56.679 56.100 -0.055 0.000 1.033 69 R CB 0.520 30.797 30.300 -0.037 0.000 0.964 69 R HN 0.774 nan 8.270 nan 0.000 0.489 70 S N -1.118 114.563 115.700 -0.032 0.000 2.627 70 S HA 0.247 4.730 4.470 0.022 0.000 0.268 70 S C -0.824 173.768 174.600 -0.014 0.000 1.130 70 S CA -1.070 57.113 58.200 -0.028 0.000 0.819 70 S CB 0.853 64.038 63.200 -0.024 0.000 1.100 70 S HN -0.076 nan 8.310 nan 0.000 0.465 71 I N 2.125 122.687 120.570 -0.013 0.000 2.696 71 I HA 0.298 4.481 4.170 0.022 0.000 0.284 71 I C -1.982 174.142 176.117 0.012 0.000 1.129 71 I CA -1.613 59.690 61.300 0.004 0.000 1.410 71 I CB 0.465 38.462 38.000 -0.006 0.000 1.399 71 I HN 0.567 nan 8.210 nan 0.000 0.579 72 P HA -0.064 nan 4.420 nan 0.000 0.264 72 P C -0.410 176.890 177.300 0.000 0.000 1.179 72 P CA 0.314 63.450 63.100 0.060 0.000 0.763 72 P CB 0.349 32.153 31.700 0.174 0.000 0.806 73 D N 0.742 121.144 120.400 0.003 0.000 2.433 73 D HA 0.191 4.844 4.640 0.022 0.000 0.211 73 D C 1.241 177.526 176.300 -0.025 0.000 1.114 73 D CA 0.155 54.141 54.000 -0.024 0.000 0.837 73 D CB -0.295 40.500 40.800 -0.008 0.000 0.984 73 D HN 0.538 nan 8.370 nan 0.000 0.505 74 G N 0.354 109.152 108.800 -0.004 0.000 2.176 74 G HA2 -0.330 3.643 3.960 0.022 0.000 0.232 74 G HA3 -0.330 3.643 3.960 0.022 0.000 0.232 74 G C 1.124 176.098 174.900 0.123 0.000 0.986 74 G CA 0.477 45.601 45.100 0.041 0.000 0.643 74 G HN 0.586 nan 8.290 nan 0.000 0.522 75 S N -0.293 115.464 115.700 0.095 0.000 2.558 75 S HA 0.320 4.803 4.470 0.022 0.000 0.217 75 S C 0.572 175.244 174.600 0.120 0.000 0.975 75 S CA 0.662 58.923 58.200 0.102 0.000 0.912 75 S CB 0.379 63.625 63.200 0.078 0.000 0.776 75 S HN 0.528 nan 8.310 nan 0.000 0.526 76 E N 2.785 123.069 120.200 0.140 0.000 2.415 76 E HA 0.373 4.736 4.350 0.022 0.000 0.263 76 E C -0.104 176.589 176.600 0.155 0.000 0.995 76 E CA 0.308 56.805 56.400 0.161 0.000 0.915 76 E CB 0.297 30.095 29.700 0.162 0.000 0.951 76 E HN 0.674 nan 8.360 nan 0.000 0.449 77 K N 0.745 121.257 120.400 0.185 0.000 2.542 77 K HA 0.763 5.096 4.320 0.022 0.000 0.259 77 K C -0.236 176.431 176.600 0.113 0.000 0.932 77 K CA -0.482 55.879 56.287 0.122 0.000 0.820 77 K CB 1.856 34.395 32.500 0.064 0.000 1.345 77 K HN 0.604 nan 8.250 nan 0.000 0.432 78 G N 1.252 110.043 108.800 -0.015 0.000 2.293 78 G HA2 0.193 4.166 3.960 0.022 0.000 0.282 78 G HA3 0.193 4.166 3.960 0.022 0.000 0.282 78 G C -2.043 172.546 174.900 -0.518 0.000 1.299 78 G CA -0.181 44.720 45.100 -0.332 0.000 1.018 78 G HN 1.057 nan 8.290 nan 0.000 0.478 79 D N -1.116 118.643 120.400 -1.069 0.000 2.970 79 D HA 0.734 5.386 4.640 0.022 0.000 0.230 79 D C -0.930 174.919 176.300 -0.751 0.000 1.276 79 D CA -0.570 53.048 54.000 -0.637 0.000 0.910 79 D CB 1.313 41.952 40.800 -0.268 0.000 1.590 79 D HN 0.678 nan 8.370 nan 0.000 0.551 80 F N 2.225 122.142 119.950 -0.054 0.000 2.678 80 F HA 0.456 4.994 4.527 0.017 0.000 0.308 80 F C 0.033 175.820 175.800 -0.022 0.000 1.118 80 F CA -1.246 56.720 58.000 -0.057 0.000 0.959 80 F CB 0.273 39.233 39.000 -0.067 0.000 1.305 80 F HN 0.138 nan 8.300 nan 0.000 0.443 81 I N 1.239 121.918 120.570 0.182 0.000 3.062 81 I HA 0.675 4.858 4.170 0.022 0.000 0.173 81 I C 0.282 176.424 176.117 0.042 0.000 1.464 81 I CA -0.563 60.783 61.300 0.077 0.000 0.609 81 I CB 0.076 38.080 38.000 0.007 0.000 1.899 81 I HN 0.817 nan 8.210 nan 0.000 1.013 82 A N 1.078 123.882 122.820 -0.027 0.000 1.164 82 A HA 0.381 4.714 4.320 0.022 0.000 0.207 82 A C -1.211 176.370 177.584 -0.005 0.000 0.935 82 A CA -0.644 51.393 52.037 0.001 0.000 0.636 82 A CB -0.834 18.163 19.000 -0.005 0.000 0.522 82 A HN 0.412 nan 8.150 nan 0.000 0.322 83 L N 1.998 123.268 121.223 0.078 0.000 2.307 83 L HA 0.662 5.015 4.340 0.022 0.000 0.282 83 L C -0.134 176.935 176.870 0.332 0.000 1.051 83 L CA -0.652 54.276 54.840 0.148 0.000 0.804 83 L CB 1.587 43.653 42.059 0.011 0.000 1.197 83 L HN 0.670 nan 8.230 nan 0.000 0.431 84 D N 3.529 124.154 120.400 0.374 0.000 2.438 84 D HA 0.390 5.043 4.640 0.022 0.000 0.257 84 D C -1.482 175.082 176.300 0.440 0.000 1.148 84 D CA -0.293 53.915 54.000 0.345 0.000 0.902 84 D CB 1.250 42.176 40.800 0.210 0.000 1.062 84 D HN 0.151 nan 8.370 nan 0.000 0.518 85 L N 2.618 124.086 121.223 0.408 0.000 2.356 85 L HA 0.736 5.088 4.340 0.022 0.000 0.277 85 L C 0.938 177.870 176.870 0.103 0.000 0.996 85 L CA 0.288 55.314 54.840 0.310 0.000 0.822 85 L CB 1.742 44.035 42.059 0.390 0.000 1.256 85 L HN 0.524 nan 8.230 nan 0.000 0.413 86 G N 2.408 111.219 108.800 0.019 0.000 2.205 86 G HA2 -0.108 3.865 3.960 0.022 0.000 0.180 86 G HA3 -0.108 3.865 3.960 0.022 0.000 0.180 86 G C 0.306 175.085 174.900 -0.202 0.000 1.004 86 G CA -0.123 44.787 45.100 -0.317 0.000 0.670 86 G HN 1.128 nan 8.290 nan 0.000 0.496 87 G N 0.287 109.064 108.800 -0.038 0.000 2.574 87 G HA2 0.577 4.550 3.960 0.022 0.000 0.248 87 G HA3 0.577 4.550 3.960 0.022 0.000 0.248 87 G C 1.486 176.440 174.900 0.090 0.000 1.422 87 G CA 1.074 46.169 45.100 -0.008 0.000 1.051 87 G HN 1.081 nan 8.290 nan 0.000 0.560 88 S N -1.380 114.357 115.700 0.062 0.000 2.428 88 S HA 0.113 4.596 4.470 0.022 0.000 0.230 88 S C 0.885 175.548 174.600 0.106 0.000 1.014 88 S CA 0.724 58.966 58.200 0.070 0.000 0.957 88 S CB -0.002 63.217 63.200 0.031 0.000 0.784 88 S HN 0.327 nan 8.310 nan 0.000 0.499 89 S N 1.606 117.384 115.700 0.129 0.000 2.557 89 S HA 0.527 5.010 4.470 0.022 0.000 0.291 89 S C -1.138 173.636 174.600 0.289 0.000 1.116 89 S CA -0.684 57.620 58.200 0.173 0.000 0.992 89 S CB 1.201 64.463 63.200 0.104 0.000 1.028 89 S HN 0.331 nan 8.310 nan 0.000 0.484 90 F N 4.984 125.029 119.950 0.158 0.000 2.462 90 F HA 0.407 4.946 4.527 0.021 0.000 0.360 90 F C 0.374 176.281 175.800 0.177 0.000 1.134 90 F CA -0.993 57.124 58.000 0.194 0.000 1.148 90 F CB -0.227 38.921 39.000 0.245 0.000 1.147 90 F HN 0.590 nan 8.300 nan 0.000 0.550 91 R N 5.790 126.429 120.500 0.231 0.000 2.720 91 R HA 0.790 5.143 4.340 0.022 0.000 0.272 91 R C -1.635 174.600 176.300 -0.108 0.000 0.991 91 R CA -0.668 55.431 56.100 -0.001 0.000 1.010 91 R CB 1.241 31.568 30.300 0.045 0.000 1.141 91 R HN 0.666 nan 8.270 nan 0.000 0.494 92 I N 4.854 125.318 120.570 -0.177 0.000 2.478 92 I HA 0.296 4.479 4.170 0.022 0.000 0.287 92 I C -0.703 175.189 176.117 -0.375 0.000 1.042 92 I CA -0.702 60.353 61.300 -0.408 0.000 1.067 92 I CB 1.737 39.239 38.000 -0.829 0.000 1.233 92 I HN 0.362 nan 8.210 nan 0.000 0.431 93 L N 4.977 126.055 121.223 -0.242 0.000 2.331 93 L HA 0.660 5.013 4.340 0.022 0.000 0.268 93 L C -0.203 176.731 176.870 0.106 0.000 1.015 93 L CA -0.950 53.884 54.840 -0.010 0.000 0.807 93 L CB 1.623 43.681 42.059 -0.003 0.000 1.293 93 L HN 0.607 nan 8.230 nan 0.000 0.451 94 R N 0.151 120.764 120.500 0.188 0.000 2.532 94 R HA 0.657 5.010 4.340 0.022 0.000 0.297 94 R C -1.771 174.582 176.300 0.089 0.000 0.984 94 R CA -0.401 55.803 56.100 0.174 0.000 0.884 94 R CB 2.107 32.535 30.300 0.214 0.000 1.182 94 R HN 0.435 nan 8.270 nan 0.000 0.442 95 V N 4.197 124.182 119.914 0.119 0.000 2.444 95 V HA 0.383 4.516 4.120 0.022 0.000 0.294 95 V C -0.401 175.789 176.094 0.160 0.000 1.022 95 V CA -0.797 61.564 62.300 0.101 0.000 0.850 95 V CB 1.663 33.529 31.823 0.071 0.000 0.992 95 V HN 0.677 nan 8.190 nan 0.000 0.426 96 Q N 3.105 122.972 119.800 0.112 0.000 2.337 96 Q HA 0.809 5.162 4.340 0.022 0.000 0.266 96 Q C -1.267 174.780 176.000 0.077 0.000 1.023 96 Q CA -0.432 55.432 55.803 0.102 0.000 0.829 96 Q CB 2.612 31.404 28.738 0.090 0.000 1.306 96 Q HN 0.782 nan 8.270 nan 0.000 0.449 97 V N 0.416 120.365 119.914 0.057 0.000 2.969 97 V HA 0.675 4.808 4.120 0.022 0.000 0.304 97 V C -0.871 175.200 176.094 -0.039 0.000 1.192 97 V CA -0.948 61.341 62.300 -0.018 0.000 0.962 97 V CB 2.182 33.974 31.823 -0.050 0.000 1.045 97 V HN 0.829 nan 8.190 nan 0.000 0.428 98 N N 0.832 119.469 118.700 -0.105 0.000 3.506 98 N HA 0.202 4.955 4.740 0.022 0.000 0.174 98 N C 0.203 175.703 175.510 -0.016 0.000 1.488 98 N CA -0.274 52.744 53.050 -0.053 0.000 0.834 98 N CB 0.235 38.717 38.487 -0.009 0.000 1.677 98 N HN 0.828 nan 8.380 nan 0.000 0.654 99 H N 0.713 119.833 119.070 0.083 0.000 2.389 99 H HA 0.072 4.638 4.556 0.017 0.000 0.299 99 H C 0.094 175.451 175.328 0.047 0.000 1.081 99 H CA 0.805 56.893 56.048 0.066 0.000 1.345 99 H CB 0.337 30.138 29.762 0.065 0.000 1.393 99 H HN 0.563 nan 8.280 nan 0.000 0.520 100 E N 1.061 121.379 120.200 0.196 0.000 2.629 100 E HA -0.128 4.235 4.350 0.022 0.000 0.213 100 E C 0.469 177.115 176.600 0.076 0.000 1.371 100 E CA 0.304 56.771 56.400 0.111 0.000 1.170 100 E CB 0.199 29.958 29.700 0.098 0.000 1.173 100 E HN 0.239 nan 8.360 nan 0.000 0.474 101 K N -1.703 118.749 120.400 0.086 0.000 2.163 101 K HA 0.107 4.440 4.320 0.022 0.000 0.139 101 K C 0.573 177.208 176.600 0.058 0.000 2.374 101 K CA 0.291 56.612 56.287 0.058 0.000 1.245 101 K CB -0.077 32.449 32.500 0.043 0.000 2.645 101 K HN 0.100 nan 8.250 nan 0.000 0.442 102 N N -0.283 118.458 118.700 0.069 0.000 2.559 102 N HA -0.047 4.706 4.740 0.022 0.000 0.311 102 N C -1.154 174.421 175.510 0.109 0.000 1.372 102 N CA -0.298 52.801 53.050 0.081 0.000 1.638 102 N CB 0.550 39.065 38.487 0.047 0.000 0.745 102 N HN -0.038 nan 8.380 nan 0.000 1.379 103 Q N 2.581 122.421 119.800 0.067 0.000 3.331 103 Q HA -0.145 4.208 4.340 0.022 0.000 0.252 103 Q C -0.842 175.206 176.000 0.080 0.000 1.497 103 Q CA 0.638 56.473 55.803 0.054 0.000 0.728 103 Q CB -0.503 28.242 28.738 0.013 0.000 0.927 103 Q HN 0.242 nan 8.270 nan 0.000 0.443 104 N N 0.759 119.543 118.700 0.141 0.000 2.326 104 N HA 0.054 4.807 4.740 0.022 0.000 0.239 104 N C -0.228 175.345 175.510 0.105 0.000 1.301 104 N CA 0.024 53.189 53.050 0.191 0.000 0.909 104 N CB 0.490 39.128 38.487 0.250 0.000 1.156 104 N HN 0.494 nan 8.380 nan 0.000 0.462 105 V N 1.280 121.250 119.914 0.094 0.000 2.694 105 V HA -0.071 4.062 4.120 0.022 0.000 0.306 105 V C 0.004 176.167 176.094 0.114 0.000 1.054 105 V CA 0.493 62.812 62.300 0.031 0.000 1.161 105 V CB -0.214 31.535 31.823 -0.123 0.000 0.916 105 V HN 0.643 nan 8.190 nan 0.000 0.490 106 H N 6.443 125.509 119.070 -0.007 0.000 2.782 106 H HA 0.462 5.030 4.556 0.021 0.000 0.347 106 H C -1.126 174.207 175.328 0.009 0.000 1.038 106 H CA -0.967 55.085 56.048 0.006 0.000 1.255 106 H CB 1.766 31.535 29.762 0.012 0.000 1.623 106 H HN 0.766 nan 8.280 nan 0.000 0.525 107 M N 4.978 124.334 119.600 -0.407 0.000 2.167 107 M HA 0.184 4.677 4.480 0.022 0.000 0.333 107 M C -0.929 175.192 176.300 -0.298 0.000 1.030 107 M CA -0.372 54.772 55.300 -0.259 0.000 0.963 107 M CB 1.175 33.693 32.600 -0.136 0.000 1.589 107 M HN 0.665 nan 8.290 nan 0.000 0.431 108 E N 3.804 123.908 120.200 -0.160 0.000 2.222 108 E HA 0.755 5.118 4.350 0.022 0.000 0.267 108 E C -1.526 175.114 176.600 0.066 0.000 0.884 108 E CA -0.660 55.695 56.400 -0.075 0.000 0.764 108 E CB 1.643 31.300 29.700 -0.072 0.000 1.169 108 E HN 0.659 nan 8.360 nan 0.000 0.413 109 S N 2.543 118.285 115.700 0.070 0.000 2.720 109 S HA 0.565 5.048 4.470 0.022 0.000 0.287 109 S C -0.327 174.354 174.600 0.134 0.000 1.168 109 S CA -0.823 57.470 58.200 0.154 0.000 0.832 109 S CB 2.177 65.412 63.200 0.058 0.000 1.166 109 S HN 0.646 nan 8.310 nan 0.000 0.493 110 E N -0.726 119.557 120.200 0.138 0.000 3.530 110 E HA 0.742 5.105 4.350 0.022 0.000 0.175 110 E C -1.342 175.159 176.600 -0.166 0.000 0.861 110 E CA -0.693 55.689 56.400 -0.030 0.000 1.136 110 E CB 1.471 31.221 29.700 0.083 0.000 1.859 110 E HN 0.668 nan 8.360 nan 0.000 0.369 111 V N 1.175 120.852 119.914 -0.396 0.000 2.925 111 V HA 0.059 4.192 4.120 0.022 0.000 0.244 111 V C -2.020 173.793 176.094 -0.468 0.000 1.801 111 V CA -0.592 61.538 62.300 -0.283 0.000 0.828 111 V CB 0.307 32.048 31.823 -0.137 0.000 1.220 111 V HN 0.481 nan 8.190 nan 0.000 0.506 112 Y N 1.856 122.054 120.300 -0.170 0.000 2.331 112 Y HA 0.516 5.078 4.550 0.021 0.000 0.338 112 Y C 0.447 176.428 175.900 0.136 0.000 0.992 112 Y CA -0.599 57.459 58.100 -0.071 0.000 1.121 112 Y CB 1.551 39.833 38.460 -0.297 0.000 1.184 112 Y HN 0.784 nan 8.280 nan 0.000 0.469 113 D N 2.229 122.766 120.400 0.229 0.000 2.382 113 D HA 0.107 4.760 4.640 0.022 0.000 0.259 113 D C -0.727 175.717 176.300 0.240 0.000 1.224 113 D CA 0.420 54.530 54.000 0.183 0.000 0.894 113 D CB 0.554 41.413 40.800 0.098 0.000 1.127 113 D HN 0.431 nan 8.370 nan 0.000 0.487 114 T N 5.779 120.445 114.554 0.186 0.000 2.772 114 T HA 0.430 4.793 4.350 0.022 0.000 0.288 114 T C -2.289 172.338 174.700 -0.121 0.000 0.994 114 T CA -1.281 60.832 62.100 0.023 0.000 0.951 114 T CB 1.504 70.439 68.868 0.113 0.000 0.933 114 T HN 0.310 nan 8.240 nan 0.000 0.447 115 P HA 0.369 nan 4.420 nan 0.000 0.276 115 P C 0.951 178.123 177.300 -0.214 0.000 1.244 115 P CA -0.591 62.414 63.100 -0.159 0.000 0.801 115 P CB 0.971 32.598 31.700 -0.121 0.000 1.006 116 E N 1.631 121.744 120.200 -0.145 0.000 2.114 116 E HA -0.314 4.049 4.350 0.022 0.000 0.199 116 E C 1.511 178.052 176.600 -0.099 0.000 1.008 116 E CA 2.396 58.730 56.400 -0.109 0.000 0.810 116 E CB -0.514 29.207 29.700 0.035 0.000 0.739 116 E HN 0.650 nan 8.360 nan 0.000 0.456 117 N N -0.568 118.082 118.700 -0.083 0.000 2.309 117 N HA -0.122 4.631 4.740 0.022 0.000 0.182 117 N C 1.587 177.018 175.510 -0.131 0.000 1.018 117 N CA 1.289 54.302 53.050 -0.062 0.000 0.876 117 N CB -0.072 38.384 38.487 -0.052 0.000 0.972 117 N HN 0.166 nan 8.380 nan 0.000 0.434 118 I N 0.099 120.535 120.570 -0.225 0.000 2.333 118 I HA -0.075 4.108 4.170 0.022 0.000 0.246 118 I C 1.880 177.744 176.117 -0.420 0.000 1.106 118 I CA 0.698 61.825 61.300 -0.289 0.000 1.411 118 I CB -0.661 37.109 38.000 -0.383 0.000 1.082 118 I HN 0.125 nan 8.210 nan 0.000 0.420 119 V N 0.531 120.070 119.914 -0.625 0.000 2.759 119 V HA -0.225 3.908 4.120 0.022 0.000 0.256 119 V C 1.825 177.339 176.094 -0.967 0.000 1.080 119 V CA 1.753 63.414 62.300 -1.066 0.000 1.101 119 V CB -0.933 30.140 31.823 -1.251 0.000 0.698 119 V HN 0.477 nan 8.190 nan 0.000 0.477 120 H N -1.752 117.095 119.070 -0.372 0.000 2.827 120 H HA 0.346 4.915 4.556 0.022 0.000 0.269 120 H C 1.571 176.787 175.328 -0.186 0.000 1.031 120 H CA 0.259 56.145 56.048 -0.268 0.000 1.202 120 H CB 0.443 30.091 29.762 -0.190 0.000 1.511 120 H HN 0.467 nan 8.280 nan 0.000 0.517 121 G N 0.564 109.312 108.800 -0.086 0.000 2.803 121 G HA2 0.115 4.088 3.960 0.022 0.000 0.177 121 G HA3 0.115 4.088 3.960 0.022 0.000 0.177 121 G C 0.208 175.099 174.900 -0.014 0.000 1.629 121 G CA -0.076 45.002 45.100 -0.038 0.000 1.077 121 G HN 0.348 nan 8.290 nan 0.000 0.556 122 S N -1.094 114.616 115.700 0.017 0.000 2.652 122 S HA 0.474 4.957 4.470 0.022 0.000 0.270 122 S C 1.482 176.144 174.600 0.104 0.000 1.243 122 S CA 0.062 58.301 58.200 0.066 0.000 0.999 122 S CB 1.327 64.570 63.200 0.072 0.000 0.973 122 S HN 0.860 nan 8.310 nan 0.000 0.544 123 G N 0.577 109.493 108.800 0.194 0.000 2.422 123 G HA2 -0.129 3.844 3.960 0.022 0.000 0.218 123 G HA3 -0.129 3.844 3.960 0.022 0.000 0.218 123 G C 1.401 176.509 174.900 0.346 0.000 1.140 123 G CA 0.710 46.011 45.100 0.334 0.000 0.775 123 G HN 0.634 nan 8.290 nan 0.000 0.545 124 S N -0.225 115.606 115.700 0.219 0.000 2.356 124 S HA -0.126 4.357 4.470 0.022 0.000 0.223 124 S C 2.323 177.016 174.600 0.155 0.000 1.032 124 S CA 1.215 59.523 58.200 0.179 0.000 1.005 124 S CB -0.254 63.011 63.200 0.108 0.000 0.867 124 S HN 0.448 nan 8.310 nan 0.000 0.449 125 Q N 0.054 119.916 119.800 0.103 0.000 2.096 125 Q HA -0.165 4.188 4.340 0.022 0.000 0.204 125 Q C 2.254 178.296 176.000 0.070 0.000 0.982 125 Q CA 1.301 57.145 55.803 0.067 0.000 0.850 125 Q CB -0.313 28.434 28.738 0.016 0.000 0.901 125 Q HN 0.408 nan 8.270 nan 0.000 0.422 126 L N -0.145 121.102 121.223 0.039 0.000 1.994 126 L HA -0.155 4.198 4.340 0.022 0.000 0.208 126 L C 1.897 178.729 176.870 -0.063 0.000 1.071 126 L CA 1.861 56.663 54.840 -0.063 0.000 0.745 126 L CB -0.850 41.117 42.059 -0.153 0.000 0.892 126 L HN 0.125 nan 8.230 nan 0.000 0.431 127 F N -0.043 119.972 119.950 0.109 0.000 2.325 127 F HA -0.102 4.438 4.527 0.021 0.000 0.299 127 F C 2.203 178.039 175.800 0.059 0.000 1.090 127 F CA 1.073 59.118 58.000 0.075 0.000 1.392 127 F CB -0.572 38.464 39.000 0.059 0.000 1.053 127 F HN 0.180 nan 8.300 nan 0.000 0.521 128 D N -1.200 119.334 120.400 0.222 0.000 2.144 128 D HA -0.200 4.453 4.640 0.022 0.000 0.200 128 D C 2.010 178.402 176.300 0.152 0.000 0.978 128 D CA 1.416 55.509 54.000 0.154 0.000 0.833 128 D CB -0.472 40.402 40.800 0.124 0.000 0.961 128 D HN 0.352 nan 8.370 nan 0.000 0.470 129 H N 0.274 119.377 119.070 0.056 0.000 2.357 129 H HA -0.019 4.550 4.556 0.022 0.000 0.301 129 H C 1.846 177.227 175.328 0.088 0.000 1.082 129 H CA 1.283 57.364 56.048 0.055 0.000 1.342 129 H CB -0.167 29.613 29.762 0.029 0.000 1.389 129 H HN -0.097 nan 8.280 nan 0.000 0.511 130 V N 0.765 120.674 119.914 -0.008 0.000 2.427 130 V HA -0.220 3.913 4.120 0.022 0.000 0.248 130 V C 2.717 178.813 176.094 0.003 0.000 1.051 130 V CA 1.542 63.829 62.300 -0.022 0.000 1.048 130 V CB -1.186 30.584 31.823 -0.088 0.000 0.666 130 V HN 0.711 nan 8.190 nan 0.000 0.456 131 A N -0.537 122.319 122.820 0.060 0.000 1.873 131 A HA -0.250 4.083 4.320 0.022 0.000 0.215 131 A C 2.253 179.895 177.584 0.097 0.000 1.186 131 A CA 1.899 54.004 52.037 0.113 0.000 0.616 131 A CB -0.492 18.578 19.000 0.116 0.000 0.823 131 A HN 0.593 nan 8.150 nan 0.000 0.442 132 E N -0.413 119.808 120.200 0.034 0.000 2.021 132 E HA -0.252 4.111 4.350 0.022 0.000 0.200 132 E C 2.091 178.612 176.600 -0.132 0.000 1.015 132 E CA 1.952 58.351 56.400 -0.001 0.000 0.824 132 E CB -0.354 29.353 29.700 0.012 0.000 0.762 132 E HN 0.622 nan 8.360 nan 0.000 0.454 133 C N 0.533 119.636 119.300 -0.328 0.000 2.391 133 C HA -0.202 4.271 4.460 0.022 0.000 0.276 133 C C 2.678 177.320 174.990 -0.581 0.000 1.217 133 C CA 0.782 59.381 59.018 -0.698 0.000 1.766 133 C CB -1.187 25.875 27.740 -1.131 0.000 2.046 133 C HN 0.540 nan 8.230 nan 0.000 0.475 134 L N 1.875 122.882 121.223 -0.360 0.000 2.017 134 L HA 0.032 4.385 4.340 0.022 0.000 0.208 134 L C 2.453 179.092 176.870 -0.384 0.000 1.073 134 L CA 2.426 57.074 54.840 -0.319 0.000 0.745 134 L CB -1.425 40.519 42.059 -0.192 0.000 0.894 134 L HN 0.339 nan 8.230 nan 0.000 0.432 135 G N -0.745 107.808 108.800 -0.412 0.000 2.514 135 G HA2 -0.392 3.581 3.960 0.022 0.000 0.217 135 G HA3 -0.392 3.581 3.960 0.022 0.000 0.217 135 G C 1.406 176.188 174.900 -0.197 0.000 1.198 135 G CA 0.916 45.750 45.100 -0.444 0.000 0.780 135 G HN 0.566 nan 8.290 nan 0.000 0.565 136 D N 0.025 120.372 120.400 -0.089 0.000 2.104 136 D HA -0.200 4.453 4.640 0.022 0.000 0.194 136 D C 2.202 178.523 176.300 0.035 0.000 0.994 136 D CA 1.161 55.156 54.000 -0.008 0.000 0.830 136 D CB -0.343 40.484 40.800 0.044 0.000 0.959 136 D HN 0.250 nan 8.370 nan 0.000 0.452 137 F N 1.239 121.129 119.950 -0.101 0.000 2.202 137 F HA -0.135 4.404 4.527 0.021 0.000 0.301 137 F C 2.385 178.123 175.800 -0.104 0.000 1.082 137 F CA 1.349 59.327 58.000 -0.037 0.000 1.313 137 F CB -0.305 38.672 39.000 -0.039 0.000 1.024 137 F HN -0.044 nan 8.300 nan 0.000 0.495 138 M N -0.758 118.871 119.600 0.048 0.000 2.349 138 M HA -0.091 4.402 4.480 0.022 0.000 0.266 138 M C 2.021 178.257 176.300 -0.107 0.000 1.076 138 M CA 1.328 56.594 55.300 -0.057 0.000 1.126 138 M CB -0.501 31.990 32.600 -0.181 0.000 1.392 138 M HN 0.184 nan 8.290 nan 0.000 0.440 139 E N 1.044 121.188 120.200 -0.095 0.000 2.021 139 E HA -0.101 4.262 4.350 0.022 0.000 0.189 139 E C 1.904 178.448 176.600 -0.095 0.000 0.980 139 E CA 0.828 57.185 56.400 -0.072 0.000 0.803 139 E CB 0.261 29.937 29.700 -0.040 0.000 0.766 139 E HN 0.217 nan 8.360 nan 0.000 0.449 140 K N 0.220 120.555 120.400 -0.108 0.000 2.207 140 K HA -0.252 4.081 4.320 0.022 0.000 0.208 140 K C 2.068 178.566 176.600 -0.169 0.000 1.046 140 K CA 1.437 57.645 56.287 -0.131 0.000 0.929 140 K CB -0.222 32.192 32.500 -0.143 0.000 0.720 140 K HN 0.012 nan 8.250 nan 0.000 0.463 141 R N 0.257 120.621 120.500 -0.227 0.000 2.265 141 R HA 0.113 4.466 4.340 0.022 0.000 0.194 141 R C -0.021 176.204 176.300 -0.124 0.000 0.931 141 R CA 0.027 56.001 56.100 -0.210 0.000 1.032 141 R CB 0.338 30.450 30.300 -0.312 0.000 0.980 141 R HN 0.025 nan 8.270 nan 0.000 0.497 142 K N 0.565 120.905 120.400 -0.099 0.000 3.239 142 K HA -0.140 4.193 4.320 0.022 0.000 0.270 142 K C -0.245 176.325 176.600 -0.050 0.000 1.083 142 K CA 0.862 57.112 56.287 -0.062 0.000 0.782 142 K CB -1.516 30.955 32.500 -0.048 0.000 1.290 142 K HN 0.296 nan 8.250 nan 0.000 0.474 143 I N -3.746 116.794 120.570 -0.051 0.000 4.147 143 I HA 0.169 4.352 4.170 0.022 0.000 0.329 143 I C 1.342 177.451 176.117 -0.014 0.000 1.424 143 I CA -0.351 60.931 61.300 -0.030 0.000 1.127 143 I CB 0.443 38.430 38.000 -0.022 0.000 1.128 143 I HN -0.232 nan 8.210 nan 0.000 0.417 144 K N 2.373 122.764 120.400 -0.014 0.000 2.173 144 K HA -0.189 4.144 4.320 0.022 0.000 0.207 144 K C 1.421 178.046 176.600 0.042 0.000 1.046 144 K CA 2.057 58.357 56.287 0.022 0.000 0.929 144 K CB -0.586 31.940 32.500 0.044 0.000 0.720 144 K HN 0.765 nan 8.250 nan 0.000 0.453 145 D N -0.458 119.953 120.400 0.020 0.000 2.346 145 D HA -0.049 4.604 4.640 0.022 0.000 0.206 145 D C 0.279 176.582 176.300 0.006 0.000 1.001 145 D CA 0.076 54.086 54.000 0.017 0.000 0.871 145 D CB 0.199 41.004 40.800 0.007 0.000 0.943 145 D HN 0.099 nan 8.370 nan 0.000 0.518 146 K N 1.108 121.506 120.400 -0.004 0.000 2.233 146 K HA 0.197 4.530 4.320 0.022 0.000 0.239 146 K C 0.696 177.288 176.600 -0.014 0.000 1.064 146 K CA -0.240 56.036 56.287 -0.020 0.000 0.884 146 K CB 0.505 32.986 32.500 -0.033 0.000 1.166 146 K HN -0.020 nan 8.250 nan 0.000 0.512 147 K N 1.273 121.653 120.400 -0.034 0.000 3.202 147 K HA 0.257 4.590 4.320 0.022 0.000 0.206 147 K C -0.406 176.166 176.600 -0.047 0.000 1.142 147 K CA -0.230 56.048 56.287 -0.015 0.000 0.979 147 K CB -0.187 32.315 32.500 0.003 0.000 0.863 147 K HN 0.340 nan 8.250 nan 0.000 0.479 148 L N 2.302 123.491 121.223 -0.056 0.000 2.559 148 L HA 0.104 4.457 4.340 0.022 0.000 0.274 148 L C -2.098 174.748 176.870 -0.041 0.000 1.205 148 L CA -1.616 53.168 54.840 -0.094 0.000 0.907 148 L CB -0.617 41.414 42.059 -0.048 0.000 1.153 148 L HN -0.067 nan 8.230 nan 0.000 0.490 149 P HA 0.067 nan 4.420 nan 0.000 0.268 149 P C -0.708 176.689 177.300 0.161 0.000 1.204 149 P CA -0.079 63.051 63.100 0.050 0.000 0.768 149 P CB 0.782 32.512 31.700 0.049 0.000 0.842 150 V N 3.173 123.163 119.914 0.126 0.000 2.459 150 V HA 0.696 4.829 4.120 0.022 0.000 0.295 150 V C 0.763 176.914 176.094 0.096 0.000 1.029 150 V CA -0.484 61.873 62.300 0.096 0.000 0.874 150 V CB 1.688 33.547 31.823 0.059 0.000 0.985 150 V HN 0.699 nan 8.190 nan 0.000 0.438 151 G N 2.826 111.673 108.800 0.079 0.000 2.416 151 G HA2 0.628 4.601 3.960 0.022 0.000 0.329 151 G HA3 0.628 4.601 3.960 0.022 0.000 0.329 151 G C -1.411 173.604 174.900 0.191 0.000 1.173 151 G CA -0.291 44.867 45.100 0.096 0.000 0.929 151 G HN 0.459 nan 8.290 nan 0.000 0.475 152 F N 2.798 122.775 119.950 0.045 0.000 2.552 152 F HA 0.426 4.965 4.527 0.020 0.000 0.369 152 F C 0.197 176.067 175.800 0.116 0.000 1.112 152 F CA -1.413 56.638 58.000 0.085 0.000 1.129 152 F CB 0.933 39.977 39.000 0.072 0.000 1.360 152 F HN 0.268 nan 8.300 nan 0.000 0.473 153 T N 6.118 120.883 114.554 0.351 0.000 2.752 153 T HA 0.244 4.607 4.350 0.022 0.000 0.295 153 T C -0.897 173.926 174.700 0.205 0.000 0.923 153 T CA 0.264 62.463 62.100 0.165 0.000 1.112 153 T CB 0.046 68.985 68.868 0.117 0.000 0.884 153 T HN 0.374 nan 8.240 nan 0.000 0.525 154 F N 3.833 123.637 119.950 -0.245 0.000 2.610 154 F HA 0.355 4.894 4.527 0.021 0.000 0.355 154 F C 0.412 176.076 175.800 -0.227 0.000 1.140 154 F CA -1.429 56.386 58.000 -0.308 0.000 1.037 154 F CB 1.109 39.636 39.000 -0.789 0.000 1.287 154 F HN 0.481 nan 8.300 nan 0.000 0.457 155 S N 4.895 120.196 115.700 -0.666 0.000 4.069 155 S HA 0.463 4.946 4.470 0.022 0.000 0.192 155 S C -0.787 172.958 174.600 -1.425 0.000 1.441 155 S CA -0.165 57.521 58.200 -0.855 0.000 0.994 155 S CB -1.178 61.580 63.200 -0.735 0.000 1.456 155 S HN 0.363 nan 8.310 nan 0.000 0.458 156 F N 0.581 120.229 119.950 -0.503 0.000 2.631 156 F HA 0.522 5.062 4.527 0.021 0.000 0.308 156 F C -2.653 173.024 175.800 -0.204 0.000 1.097 156 F CA -2.490 55.274 58.000 -0.393 0.000 0.952 156 F CB 1.454 40.033 39.000 -0.701 0.000 1.307 156 F HN -0.018 nan 8.300 nan 0.000 0.450 157 P HA 0.195 nan 4.420 nan 0.000 0.271 157 P C -0.894 176.433 177.300 0.045 0.000 1.226 157 P CA 0.128 63.253 63.100 0.042 0.000 0.765 157 P CB 0.703 32.437 31.700 0.058 0.000 0.835 158 C N 3.307 122.634 119.300 0.044 0.000 2.783 158 C HA 0.344 4.817 4.460 0.022 0.000 0.312 158 C C -0.081 174.928 174.990 0.031 0.000 1.182 158 C CA -0.437 58.607 59.018 0.043 0.000 1.432 158 C CB 2.356 30.141 27.740 0.075 0.000 1.933 158 C HN 0.555 nan 8.230 nan 0.000 0.473 159 Q N 2.957 122.767 119.800 0.018 0.000 2.278 159 Q HA 0.420 4.773 4.340 0.022 0.000 0.257 159 Q C -1.150 174.864 176.000 0.024 0.000 0.928 159 Q CA 0.265 56.084 55.803 0.026 0.000 0.932 159 Q CB 1.034 29.783 28.738 0.018 0.000 1.221 159 Q HN 0.805 nan 8.270 nan 0.000 0.434 160 Q N 1.868 121.705 119.800 0.061 0.000 2.340 160 Q HA 0.273 4.626 4.340 0.022 0.000 0.268 160 Q C 0.104 176.141 176.000 0.062 0.000 1.031 160 Q CA -0.369 55.463 55.803 0.050 0.000 0.804 160 Q CB 2.054 30.855 28.738 0.105 0.000 1.286 160 Q HN 0.837 nan 8.270 nan 0.000 0.448 161 S N 1.412 117.053 115.700 -0.099 0.000 2.523 161 S HA 0.185 4.668 4.470 0.022 0.000 0.217 161 S C 0.026 174.250 174.600 -0.626 0.000 0.996 161 S CA -0.191 57.898 58.200 -0.185 0.000 0.921 161 S CB 0.157 63.287 63.200 -0.117 0.000 0.829 161 S HN 0.606 nan 8.310 nan 0.000 0.495 162 K N -0.883 119.146 120.400 -0.618 0.000 2.615 162 K HA 0.484 4.817 4.320 0.022 0.000 0.291 162 K C -0.271 176.108 176.600 -0.369 0.000 1.017 162 K CA -0.940 54.876 56.287 -0.786 0.000 0.882 162 K CB 0.100 32.343 32.500 -0.428 0.000 1.522 162 K HN -0.115 nan 8.250 nan 0.000 0.412 163 I N 1.578 122.015 120.570 -0.222 0.000 2.614 163 I HA -0.168 4.015 4.170 0.022 0.000 0.258 163 I C 0.557 176.661 176.117 -0.022 0.000 1.189 163 I CA 1.570 62.855 61.300 -0.025 0.000 1.462 163 I CB -0.264 37.761 38.000 0.042 0.000 1.092 163 I HN 0.777 nan 8.210 nan 0.000 0.442 164 D N -0.550 119.819 120.400 -0.052 0.000 2.463 164 D HA 0.057 4.710 4.640 0.022 0.000 0.224 164 D C 0.399 176.675 176.300 -0.041 0.000 1.174 164 D CA -0.137 53.850 54.000 -0.022 0.000 0.829 164 D CB -0.309 40.485 40.800 -0.009 0.000 0.993 164 D HN 0.463 nan 8.370 nan 0.000 0.497 165 E N 0.252 120.414 120.200 -0.064 0.000 2.238 165 E HA 0.614 4.976 4.350 0.022 0.000 0.267 165 E C -1.628 174.936 176.600 -0.059 0.000 0.887 165 E CA -1.120 55.238 56.400 -0.070 0.000 0.769 165 E CB 1.817 31.461 29.700 -0.093 0.000 1.187 165 E HN 0.056 nan 8.360 nan 0.000 0.416 166 A N 6.134 128.910 122.820 -0.073 0.000 2.679 166 A HA 0.339 4.672 4.320 0.022 0.000 0.288 166 A C -1.054 176.482 177.584 -0.080 0.000 1.160 166 A CA -0.656 51.341 52.037 -0.068 0.000 0.763 166 A CB 0.436 19.381 19.000 -0.092 0.000 1.270 166 A HN 0.545 nan 8.150 nan 0.000 0.417 167 I N 3.208 123.747 120.570 -0.052 0.000 2.337 167 I HA 0.137 4.320 4.170 0.022 0.000 0.291 167 I C 0.100 176.188 176.117 -0.048 0.000 1.046 167 I CA -0.444 60.820 61.300 -0.059 0.000 1.324 167 I CB 1.089 39.062 38.000 -0.045 0.000 1.409 167 I HN 0.630 nan 8.210 nan 0.000 0.494 168 L N 8.128 129.304 121.223 -0.079 0.000 2.500 168 L HA 0.148 4.501 4.340 0.022 0.000 0.272 168 L C 0.899 177.699 176.870 -0.118 0.000 1.149 168 L CA 0.703 55.475 54.840 -0.113 0.000 0.897 168 L CB 0.244 42.142 42.059 -0.269 0.000 1.178 168 L HN 0.489 nan 8.230 nan 0.000 0.473 169 I N 2.500 123.026 120.570 -0.073 0.000 2.235 169 I HA -0.010 4.173 4.170 0.022 0.000 0.241 169 I C 0.894 176.974 176.117 -0.061 0.000 1.085 169 I CA 1.067 62.342 61.300 -0.042 0.000 1.378 169 I CB -0.249 37.752 38.000 0.002 0.000 1.076 169 I HN 0.741 nan 8.210 nan 0.000 0.415 170 T N -1.406 113.096 114.554 -0.086 0.000 2.957 170 T HA 0.270 4.633 4.350 0.022 0.000 0.336 170 T C -2.123 172.539 174.700 -0.064 0.000 1.462 170 T CA -0.646 61.418 62.100 -0.061 0.000 1.073 170 T CB 0.593 69.494 68.868 0.054 0.000 1.319 170 T HN 0.127 nan 8.240 nan 0.000 0.485 171 W N 2.727 124.051 121.300 0.040 0.000 2.202 171 W HA 0.513 5.186 4.660 0.022 0.000 0.332 171 W C 1.061 177.664 176.519 0.141 0.000 1.263 171 W CA -0.032 57.311 57.345 -0.003 0.000 1.223 171 W CB 1.178 30.632 29.460 -0.010 0.000 1.128 171 W HN 0.879 nan 8.180 nan 0.000 0.573 172 T N -0.764 114.129 114.554 0.565 0.000 2.812 172 T HA 0.619 4.982 4.350 0.022 0.000 0.294 172 T C -0.134 174.833 174.700 0.444 0.000 1.159 172 T CA -0.925 61.435 62.100 0.432 0.000 1.008 172 T CB 2.332 71.401 68.868 0.336 0.000 1.289 172 T HN 0.612 nan 8.240 nan 0.000 0.514 173 K N -0.253 120.355 120.400 0.347 0.000 2.443 173 K HA -0.239 4.094 4.320 0.022 0.000 0.175 173 K C 1.404 178.161 176.600 0.263 0.000 1.379 173 K CA 1.278 57.725 56.287 0.268 0.000 0.413 173 K CB -1.020 31.597 32.500 0.195 0.000 0.695 173 K HN 0.704 nan 8.250 nan 0.000 0.754 174 R N 0.093 120.762 120.500 0.282 0.000 2.280 174 R HA 0.175 4.528 4.340 0.022 0.000 0.195 174 R C 0.211 176.603 176.300 0.152 0.000 0.935 174 R CA 0.204 56.432 56.100 0.212 0.000 1.033 174 R CB 0.077 30.442 30.300 0.108 0.000 0.964 174 R HN 0.058 nan 8.270 nan 0.000 0.489 175 F N 0.892 120.767 119.950 -0.124 0.000 2.397 175 F HA 0.337 4.878 4.527 0.023 0.000 0.331 175 F C 0.529 175.932 175.800 -0.662 0.000 1.090 175 F CA -0.675 56.995 58.000 -0.550 0.000 1.065 175 F CB 1.316 39.810 39.000 -0.842 0.000 1.184 175 F HN -0.342 nan 8.300 nan 0.000 0.499 176 K N 2.236 122.244 120.400 -0.653 0.000 3.098 176 K HA 0.574 4.907 4.320 0.022 0.000 0.204 176 K C -1.639 174.694 176.600 -0.446 0.000 1.210 176 K CA -0.140 55.812 56.287 -0.559 0.000 0.899 176 K CB 0.518 33.001 32.500 -0.028 0.000 1.176 176 K HN 0.685 nan 8.250 nan 0.000 0.585 177 A N 1.590 123.978 122.820 -0.719 0.000 2.290 177 A HA 0.534 4.867 4.320 0.022 0.000 0.310 177 A C 0.178 177.911 177.584 0.248 0.000 1.202 177 A CA -0.449 51.506 52.037 -0.136 0.000 0.837 177 A CB 0.813 19.755 19.000 -0.096 0.000 1.139 177 A HN 0.596 nan 8.150 nan 0.000 0.509 178 S N 1.594 117.397 115.700 0.172 0.000 2.632 178 S HA 0.540 5.023 4.470 0.022 0.000 0.267 178 S C 1.018 175.747 174.600 0.215 0.000 1.276 178 S CA 0.226 58.546 58.200 0.200 0.000 0.998 178 S CB 0.900 64.172 63.200 0.120 0.000 0.953 178 S HN 2.532 nan 8.310 nan 0.000 0.547 179 G N -0.019 108.888 108.800 0.179 0.000 2.198 179 G HA2 -0.203 3.770 3.960 0.022 0.000 0.260 179 G HA3 -0.203 3.770 3.960 0.022 0.000 0.260 179 G C 0.305 175.302 174.900 0.163 0.000 1.025 179 G CA 0.249 45.434 45.100 0.141 0.000 0.769 179 G HN 1.071 nan 8.290 nan 0.000 0.507 180 V N -0.895 119.146 119.914 0.212 0.000 3.090 180 V HA 0.192 4.324 4.120 0.022 0.000 0.237 180 V C 1.343 177.429 176.094 -0.013 0.000 1.209 180 V CA 0.910 63.310 62.300 0.166 0.000 1.209 180 V CB 0.021 32.086 31.823 0.404 0.000 0.971 180 V HN 0.472 nan 8.190 nan 0.000 0.477 181 E N 1.097 121.264 120.200 -0.056 0.000 2.502 181 E HA 0.294 4.657 4.350 0.022 0.000 0.261 181 E C 1.312 177.880 176.600 -0.053 0.000 0.974 181 E CA 0.950 57.275 56.400 -0.125 0.000 0.936 181 E CB 0.231 29.881 29.700 -0.083 0.000 0.926 181 E HN 0.514 nan 8.360 nan 0.000 0.459 182 G N 1.820 110.580 108.800 -0.065 0.000 2.267 182 G HA2 -0.341 3.632 3.960 0.022 0.000 0.257 182 G HA3 -0.341 3.632 3.960 0.022 0.000 0.257 182 G C 0.295 175.167 174.900 -0.047 0.000 0.998 182 G CA 0.139 45.216 45.100 -0.040 0.000 0.620 182 G HN 0.821 nan 8.290 nan 0.000 0.529 183 A N -0.171 122.613 122.820 -0.059 0.000 2.294 183 A HA 0.625 4.958 4.320 0.022 0.000 0.330 183 A C -0.265 177.257 177.584 -0.104 0.000 1.133 183 A CA 0.295 52.290 52.037 -0.071 0.000 0.836 183 A CB 1.026 19.990 19.000 -0.060 0.000 1.190 183 A HN 0.387 nan 8.150 nan 0.000 0.492 184 D N 1.638 121.967 120.400 -0.117 0.000 2.339 184 D HA 0.180 4.833 4.640 0.022 0.000 0.241 184 D C 1.391 177.568 176.300 -0.204 0.000 1.183 184 D CA 0.097 54.016 54.000 -0.136 0.000 0.859 184 D CB 1.179 41.913 40.800 -0.109 0.000 1.067 184 D HN 0.434 nan 8.370 nan 0.000 0.484 185 V N 2.869 122.634 119.914 -0.247 0.000 2.688 185 V HA -0.179 3.954 4.120 0.022 0.000 0.256 185 V C 1.716 177.645 176.094 -0.275 0.000 1.084 185 V CA 1.241 63.323 62.300 -0.365 0.000 1.103 185 V CB -0.614 30.952 31.823 -0.429 0.000 0.688 185 V HN 0.411 nan 8.190 nan 0.000 0.480 186 V N -0.152 119.673 119.914 -0.148 0.000 2.379 186 V HA -0.179 3.954 4.120 0.022 0.000 0.245 186 V C 2.765 178.773 176.094 -0.142 0.000 1.044 186 V CA 2.361 64.615 62.300 -0.077 0.000 1.036 186 V CB -0.785 31.017 31.823 -0.034 0.000 0.664 186 V HN 0.531 nan 8.190 nan 0.000 0.453 187 K N -0.390 119.912 120.400 -0.164 0.000 1.991 187 K HA -0.212 4.121 4.320 0.022 0.000 0.212 187 K C 2.148 178.620 176.600 -0.214 0.000 1.049 187 K CA 1.578 57.770 56.287 -0.158 0.000 0.932 187 K CB -0.398 32.018 32.500 -0.141 0.000 0.717 187 K HN 0.197 nan 8.250 nan 0.000 0.441 188 L N 1.443 122.465 121.223 -0.336 0.000 2.043 188 L HA -0.210 4.143 4.340 0.022 0.000 0.212 188 L C 2.246 178.806 176.870 -0.517 0.000 1.075 188 L CA 1.427 55.971 54.840 -0.493 0.000 0.752 188 L CB -0.820 40.736 42.059 -0.840 0.000 0.891 188 L HN 0.288 nan 8.230 nan 0.000 0.432 189 L N -1.028 119.892 121.223 -0.504 0.000 2.023 189 L HA -0.202 4.151 4.340 0.022 0.000 0.205 189 L C 2.280 179.083 176.870 -0.111 0.000 1.073 189 L CA 1.229 55.944 54.840 -0.208 0.000 0.745 189 L CB -0.349 41.647 42.059 -0.105 0.000 0.900 189 L HN 0.349 nan 8.230 nan 0.000 0.435 190 N N 0.554 119.182 118.700 -0.120 0.000 2.094 190 N HA -0.271 4.482 4.740 0.022 0.000 0.191 190 N C 1.737 177.188 175.510 -0.097 0.000 1.023 190 N CA 1.355 54.348 53.050 -0.095 0.000 0.857 190 N CB -0.364 38.070 38.487 -0.089 0.000 1.013 190 N HN 0.302 nan 8.380 nan 0.000 0.426 191 K N 1.070 121.404 120.400 -0.110 0.000 2.097 191 K HA 0.005 4.338 4.320 0.022 0.000 0.205 191 K C 1.766 178.330 176.600 -0.060 0.000 1.050 191 K CA 1.137 57.373 56.287 -0.085 0.000 0.938 191 K CB -0.082 32.367 32.500 -0.085 0.000 0.718 191 K HN 0.090 nan 8.250 nan 0.000 0.442 192 A N 1.847 124.641 122.820 -0.044 0.000 1.855 192 A HA -0.103 4.230 4.320 0.022 0.000 0.215 192 A C 2.252 179.816 177.584 -0.033 0.000 1.191 192 A CA 1.417 53.456 52.037 0.004 0.000 0.613 192 A CB -0.610 18.441 19.000 0.085 0.000 0.829 192 A HN 0.316 nan 8.150 nan 0.000 0.442 193 I N -0.306 120.225 120.570 -0.065 0.000 2.087 193 I HA -0.375 3.807 4.170 0.022 0.000 0.240 193 I C 2.572 178.563 176.117 -0.209 0.000 1.054 193 I CA 2.210 63.407 61.300 -0.172 0.000 1.311 193 I CB -0.357 37.522 38.000 -0.202 0.000 1.024 193 I HN 0.397 nan 8.210 nan 0.000 0.402 194 K N 1.204 121.515 120.400 -0.149 0.000 2.034 194 K HA -0.293 4.040 4.320 0.022 0.000 0.214 194 K C 2.259 178.801 176.600 -0.097 0.000 1.051 194 K CA 1.925 58.138 56.287 -0.122 0.000 0.931 194 K CB -0.194 32.254 32.500 -0.087 0.000 0.715 194 K HN 0.107 nan 8.250 nan 0.000 0.446 195 K N 0.873 121.232 120.400 -0.069 0.000 2.281 195 K HA -0.212 4.121 4.320 0.022 0.000 0.203 195 K C 2.088 178.663 176.600 -0.042 0.000 1.046 195 K CA 1.675 57.936 56.287 -0.043 0.000 0.938 195 K CB 0.024 32.512 32.500 -0.021 0.000 0.737 195 K HN 0.307 nan 8.250 nan 0.000 0.458 196 R N -1.852 118.607 120.500 -0.068 0.000 2.055 196 R HA 0.053 4.406 4.340 0.022 0.000 0.221 196 R C 1.663 177.927 176.300 -0.059 0.000 1.154 196 R CA 1.524 57.595 56.100 -0.049 0.000 0.975 196 R CB -0.369 29.922 30.300 -0.015 0.000 0.869 196 R HN 0.115 nan 8.270 nan 0.000 0.437 197 G N 0.081 108.811 108.800 -0.116 0.000 2.376 197 G HA2 -0.278 3.695 3.960 0.022 0.000 0.208 197 G HA3 -0.278 3.695 3.960 0.022 0.000 0.208 197 G C 0.526 175.387 174.900 -0.065 0.000 1.032 197 G CA 0.270 45.319 45.100 -0.084 0.000 0.641 197 G HN 0.348 nan 8.290 nan 0.000 0.503 198 D N 0.133 120.531 120.400 -0.003 0.000 2.191 198 D HA 0.014 4.667 4.640 0.022 0.000 0.190 198 D C 1.099 177.515 176.300 0.194 0.000 1.007 198 D CA 2.445 56.534 54.000 0.149 0.000 0.865 198 D CB -0.163 40.872 40.800 0.391 0.000 0.929 198 D HN 0.911 nan 8.370 nan 0.000 0.447 199 Y N -2.770 117.529 120.300 -0.001 0.000 2.764 199 Y HA 0.588 5.151 4.550 0.021 0.000 0.331 199 Y C -1.623 174.275 175.900 -0.004 0.000 1.280 199 Y CA -1.598 56.501 58.100 -0.001 0.000 1.065 199 Y CB 0.777 39.239 38.460 0.003 0.000 1.319 199 Y HN -0.390 nan 8.280 nan 0.000 0.453 200 D N 0.766 121.220 120.400 0.090 0.000 2.248 200 D HA 0.694 5.347 4.640 0.022 0.000 0.246 200 D C -1.156 175.242 176.300 0.165 0.000 1.027 200 D CA -0.242 53.771 54.000 0.022 0.000 0.853 200 D CB 1.913 42.731 40.800 0.030 0.000 1.243 200 D HN 0.910 nan 8.370 nan 0.000 0.462 201 A N 2.256 125.128 122.820 0.087 0.000 2.319 201 A HA 0.421 4.754 4.320 0.022 0.000 0.310 201 A C -0.490 177.134 177.584 0.065 0.000 1.152 201 A CA -0.761 51.351 52.037 0.124 0.000 0.783 201 A CB 0.571 19.651 19.000 0.132 0.000 1.184 201 A HN 0.361 nan 8.150 nan 0.000 0.474 202 N N 3.171 121.916 118.700 0.075 0.000 2.645 202 N HA 0.247 5.000 4.740 0.022 0.000 0.233 202 N C -0.848 174.712 175.510 0.084 0.000 1.058 202 N CA -0.249 52.847 53.050 0.076 0.000 0.942 202 N CB -0.065 38.484 38.487 0.103 0.000 1.210 202 N HN 0.597 nan 8.380 nan 0.000 0.512 203 I N 3.390 123.998 120.570 0.064 0.000 2.421 203 I HA -0.021 4.162 4.170 0.022 0.000 0.291 203 I C 1.469 177.638 176.117 0.086 0.000 1.089 203 I CA -0.321 61.023 61.300 0.073 0.000 1.354 203 I CB 0.906 38.939 38.000 0.054 0.000 1.413 203 I HN 0.357 nan 8.210 nan 0.000 0.513 204 V N 3.313 123.292 119.914 0.108 0.000 3.643 204 V HA 0.613 4.746 4.120 0.022 0.000 0.280 204 V C 0.550 176.690 176.094 0.077 0.000 1.351 204 V CA 0.255 62.616 62.300 0.102 0.000 1.073 204 V CB 0.046 31.969 31.823 0.167 0.000 0.863 204 V HN 0.688 nan 8.190 nan 0.000 0.436 205 A N -0.306 122.568 122.820 0.089 0.000 2.577 205 A HA 0.756 5.089 4.320 0.022 0.000 0.297 205 A C -1.231 176.416 177.584 0.106 0.000 1.060 205 A CA -0.355 51.726 52.037 0.074 0.000 0.697 205 A CB 1.883 20.915 19.000 0.054 0.000 1.281 205 A HN 0.468 nan 8.150 nan 0.000 0.402 206 V N 2.285 122.239 119.914 0.068 0.000 2.417 206 V HA 0.689 4.822 4.120 0.022 0.000 0.291 206 V C 0.289 176.396 176.094 0.022 0.000 1.024 206 V CA -0.323 61.999 62.300 0.036 0.000 0.861 206 V CB 1.034 32.831 31.823 -0.042 0.000 0.985 206 V HN 1.381 nan 8.190 nan 0.000 0.436 207 V N 1.965 121.890 119.914 0.018 0.000 3.155 207 V HA 0.722 4.855 4.120 0.022 0.000 0.313 207 V C -0.450 175.633 176.094 -0.017 0.000 1.162 207 V CA -1.075 61.228 62.300 0.005 0.000 1.048 207 V CB 2.156 33.982 31.823 0.005 0.000 1.092 207 V HN 0.727 nan 8.190 nan 0.000 0.447 208 N N 0.656 119.333 118.700 -0.039 0.000 2.508 208 N HA 0.300 5.053 4.740 0.022 0.000 0.285 208 N C 0.663 176.122 175.510 -0.085 0.000 1.144 208 N CA 0.081 53.082 53.050 -0.082 0.000 0.978 208 N CB 1.365 39.797 38.487 -0.091 0.000 1.180 208 N HN 0.920 nan 8.380 nan 0.000 0.484 209 D N 0.146 120.474 120.400 -0.120 0.000 2.312 209 D HA -0.153 4.500 4.640 0.022 0.000 0.211 209 D C 1.322 177.569 176.300 -0.089 0.000 0.964 209 D CA 1.298 55.242 54.000 -0.094 0.000 0.877 209 D CB -0.846 39.882 40.800 -0.120 0.000 0.924 209 D HN 0.688 nan 8.370 nan 0.000 0.515 210 T N -1.432 113.056 114.554 -0.110 0.000 2.777 210 T HA -0.092 4.271 4.350 0.022 0.000 0.266 210 T C 2.178 176.834 174.700 -0.074 0.000 1.040 210 T CA 1.093 63.129 62.100 -0.106 0.000 1.141 210 T CB -0.810 67.971 68.868 -0.144 0.000 0.868 210 T HN 0.057 nan 8.240 nan 0.000 0.444 211 V N 1.822 121.697 119.914 -0.065 0.000 2.453 211 V HA 0.098 4.231 4.120 0.022 0.000 0.247 211 V C 3.073 179.148 176.094 -0.031 0.000 1.048 211 V CA 1.656 63.927 62.300 -0.048 0.000 1.049 211 V CB -1.316 30.479 31.823 -0.046 0.000 0.672 211 V HN 0.678 nan 8.190 nan 0.000 0.457 212 G N -0.498 108.284 108.800 -0.031 0.000 2.422 212 G HA2 -0.221 3.752 3.960 0.022 0.000 0.218 212 G HA3 -0.221 3.752 3.960 0.022 0.000 0.218 212 G C 1.697 176.587 174.900 -0.016 0.000 1.146 212 G CA 1.507 46.594 45.100 -0.021 0.000 0.769 212 G HN 0.455 nan 8.290 nan 0.000 0.547 213 T N 0.846 115.386 114.554 -0.022 0.000 2.708 213 T HA -0.111 4.252 4.350 0.022 0.000 0.266 213 T C 2.281 176.982 174.700 0.003 0.000 1.037 213 T CA 1.288 63.381 62.100 -0.012 0.000 1.146 213 T CB -0.213 68.638 68.868 -0.027 0.000 0.865 213 T HN 0.193 nan 8.240 nan 0.000 0.435 214 M N 0.294 119.891 119.600 -0.005 0.000 2.108 214 M HA -0.085 4.408 4.480 0.022 0.000 0.261 214 M C 1.902 178.216 176.300 0.022 0.000 1.066 214 M CA 1.554 56.859 55.300 0.008 0.000 1.107 214 M CB -0.169 32.428 32.600 -0.004 0.000 1.356 214 M HN 0.178 nan 8.290 nan 0.000 0.406 215 M N -1.180 118.430 119.600 0.017 0.000 2.349 215 M HA -0.074 4.419 4.480 0.022 0.000 0.266 215 M C 1.932 178.272 176.300 0.068 0.000 1.076 215 M CA 1.275 56.598 55.300 0.037 0.000 1.126 215 M CB -1.316 31.295 32.600 0.019 0.000 1.392 215 M HN 0.238 nan 8.290 nan 0.000 0.440 216 T N 0.233 114.813 114.554 0.043 0.000 2.777 216 T HA -0.113 4.250 4.350 0.022 0.000 0.266 216 T C 1.937 176.696 174.700 0.097 0.000 1.040 216 T CA 1.265 63.391 62.100 0.044 0.000 1.141 216 T CB -0.153 68.724 68.868 0.014 0.000 0.868 216 T HN 0.423 nan 8.240 nan 0.000 0.444 217 C N 1.140 120.489 119.300 0.082 0.000 2.464 217 C HA 0.207 4.680 4.460 0.022 0.000 0.278 217 C C 2.985 178.036 174.990 0.103 0.000 1.375 217 C CA 0.001 59.074 59.018 0.091 0.000 1.761 217 C CB -1.345 26.437 27.740 0.070 0.000 1.944 217 C HN 0.696 nan 8.230 nan 0.000 0.509 218 G N -1.088 107.769 108.800 0.096 0.000 2.421 218 G HA2 -0.234 3.739 3.960 0.022 0.000 0.217 218 G HA3 -0.234 3.739 3.960 0.022 0.000 0.217 218 G C 1.331 176.289 174.900 0.098 0.000 1.143 218 G CA 0.494 45.640 45.100 0.076 0.000 0.784 218 G HN 0.573 nan 8.290 nan 0.000 0.541 219 Y N 1.459 121.774 120.300 0.025 0.000 2.315 219 Y HA -0.131 4.433 4.550 0.024 0.000 0.288 219 Y C 1.905 177.833 175.900 0.047 0.000 1.154 219 Y CA 1.993 60.114 58.100 0.037 0.000 1.229 219 Y CB 0.258 38.742 38.460 0.039 0.000 0.980 219 Y HN 0.182 nan 8.280 nan 0.000 0.540 220 D N -1.097 119.418 120.400 0.192 0.000 2.338 220 D HA 0.018 4.671 4.640 0.022 0.000 0.208 220 D C -0.283 176.054 176.300 0.062 0.000 0.997 220 D CA 0.784 54.860 54.000 0.125 0.000 0.880 220 D CB 0.214 41.109 40.800 0.160 0.000 0.980 220 D HN 0.235 nan 8.370 nan 0.000 0.509 221 D N 0.627 121.066 120.400 0.065 0.000 2.476 221 D HA 0.083 4.736 4.640 0.022 0.000 0.251 221 D C 0.340 176.671 176.300 0.052 0.000 1.291 221 D CA -0.268 53.779 54.000 0.078 0.000 0.939 221 D CB 1.133 41.989 40.800 0.094 0.000 1.221 221 D HN -0.286 nan 8.370 nan 0.000 0.567 222 Q N 1.803 121.603 119.800 0.001 0.000 2.515 222 Q HA -0.055 4.298 4.340 0.022 0.000 0.214 222 Q C 0.259 176.125 176.000 -0.224 0.000 0.971 222 Q CA 0.600 56.336 55.803 -0.112 0.000 0.952 222 Q CB -0.009 28.636 28.738 -0.155 0.000 0.999 222 Q HN 0.610 nan 8.270 nan 0.000 0.524 223 H N -1.721 117.341 119.070 -0.013 0.000 2.551 223 H HA 0.093 4.665 4.556 0.028 0.000 0.271 223 H C 0.277 175.595 175.328 -0.016 0.000 0.984 223 H CA -0.297 55.740 56.048 -0.017 0.000 1.164 223 H CB 0.433 30.180 29.762 -0.024 0.000 1.437 223 H HN 0.103 nan 8.280 nan 0.000 0.550 224 C N 1.960 121.299 119.300 0.065 0.000 2.657 224 C HA 0.042 4.515 4.460 0.022 0.000 0.404 224 C C 1.115 176.123 174.990 0.030 0.000 1.369 224 C CA 0.337 59.382 59.018 0.044 0.000 1.665 224 C CB -0.698 27.068 27.740 0.043 0.000 2.453 224 C HN 0.628 nan 8.230 nan 0.000 0.599 225 E N 2.960 123.182 120.200 0.036 0.000 2.641 225 E HA 0.206 4.569 4.350 0.022 0.000 0.224 225 E C -0.629 176.018 176.600 0.078 0.000 0.951 225 E CA 0.097 56.526 56.400 0.050 0.000 1.102 225 E CB 1.075 30.814 29.700 0.065 0.000 1.091 225 E HN 0.545 nan 8.360 nan 0.000 0.507 226 V N 0.417 120.366 119.914 0.059 0.000 2.841 226 V HA 0.613 4.746 4.120 0.022 0.000 0.310 226 V C -0.089 176.025 176.094 0.035 0.000 1.090 226 V CA -1.022 61.322 62.300 0.073 0.000 0.930 226 V CB 2.024 33.892 31.823 0.075 0.000 1.014 226 V HN 0.145 nan 8.190 nan 0.000 0.425 227 G N 2.904 111.708 108.800 0.007 0.000 2.544 227 G HA2 0.674 4.647 3.960 0.022 0.000 0.313 227 G HA3 0.674 4.647 3.960 0.022 0.000 0.313 227 G C -1.719 173.138 174.900 -0.071 0.000 1.316 227 G CA -0.481 44.604 45.100 -0.025 0.000 0.944 227 G HN 0.609 nan 8.290 nan 0.000 0.489 228 L N 3.430 124.621 121.223 -0.053 0.000 2.385 228 L HA 0.726 5.079 4.340 0.022 0.000 0.273 228 L C -1.197 175.612 176.870 -0.102 0.000 0.990 228 L CA -0.976 53.823 54.840 -0.069 0.000 0.821 228 L CB 1.646 43.741 42.059 0.061 0.000 1.279 228 L HN 0.347 nan 8.230 nan 0.000 0.412 229 I N 6.994 127.499 120.570 -0.107 0.000 2.447 229 I HA 0.380 4.563 4.170 0.022 0.000 0.287 229 I C -0.640 175.453 176.117 -0.040 0.000 1.023 229 I CA -0.207 61.037 61.300 -0.093 0.000 1.083 229 I CB 1.875 39.817 38.000 -0.097 0.000 1.245 229 I HN 0.619 nan 8.210 nan 0.000 0.434 230 I N 5.806 126.327 120.570 -0.081 0.000 2.782 230 I HA 0.392 4.575 4.170 0.022 0.000 0.279 230 I C 0.623 176.682 176.117 -0.097 0.000 1.247 230 I CA -0.044 61.211 61.300 -0.075 0.000 1.062 230 I CB 1.304 39.222 38.000 -0.138 0.000 1.421 230 I HN 0.689 nan 8.210 nan 0.000 0.558 231 G N 1.363 110.122 108.800 -0.068 0.000 3.392 231 G HA2 0.178 4.151 3.960 0.022 0.000 0.185 231 G HA3 0.178 4.151 3.960 0.022 0.000 0.185 231 G C 0.771 175.632 174.900 -0.066 0.000 1.206 231 G CA 0.263 45.322 45.100 -0.069 0.000 0.776 231 G HN 0.214 nan 8.290 nan 0.000 0.697 232 T N 0.584 115.101 114.554 -0.062 0.000 2.635 232 T HA 0.072 4.435 4.350 0.022 0.000 0.267 232 T C 1.279 175.948 174.700 -0.052 0.000 1.040 232 T CA 1.649 63.704 62.100 -0.075 0.000 1.156 232 T CB -0.558 68.276 68.868 -0.056 0.000 0.863 232 T HN 0.686 nan 8.240 nan 0.000 0.430 233 G N -0.743 108.045 108.800 -0.020 0.000 2.932 233 G HA2 0.559 4.532 3.960 0.022 0.000 0.283 233 G HA3 0.559 4.532 3.960 0.022 0.000 0.283 233 G C -1.200 173.736 174.900 0.059 0.000 1.336 233 G CA -0.408 44.725 45.100 0.054 0.000 1.056 233 G HN 0.209 nan 8.290 nan 0.000 0.522 234 T N -0.839 113.801 114.554 0.145 0.000 2.916 234 T HA 0.609 4.972 4.350 0.022 0.000 0.298 234 T C -0.894 173.973 174.700 0.278 0.000 1.031 234 T CA -0.726 61.514 62.100 0.233 0.000 0.993 234 T CB 1.082 70.164 68.868 0.358 0.000 1.045 234 T HN 0.735 nan 8.240 nan 0.000 0.454 235 N N 1.590 120.309 118.700 0.032 0.000 3.046 235 N HA 0.665 5.418 4.740 0.022 0.000 0.243 235 N C -1.985 173.026 175.510 -0.832 0.000 1.452 235 N CA -0.701 52.069 53.050 -0.466 0.000 0.882 235 N CB 1.853 40.195 38.487 -0.242 0.000 1.425 235 N HN 0.821 nan 8.380 nan 0.000 0.517 236 A N 0.191 122.328 122.820 -1.138 0.000 2.515 236 A HA 0.807 5.140 4.320 0.022 0.000 0.296 236 A C -0.956 176.405 177.584 -0.373 0.000 1.094 236 A CA -0.512 51.044 52.037 -0.802 0.000 0.718 236 A CB 0.725 19.055 19.000 -1.117 0.000 1.307 236 A HN 0.914 nan 8.150 nan 0.000 0.408 237 C N -0.485 118.718 119.300 -0.161 0.000 3.090 237 C HA 1.020 5.493 4.460 0.022 0.000 0.305 237 C C -1.208 173.842 174.990 0.101 0.000 1.292 237 C CA -0.813 58.188 59.018 -0.029 0.000 1.482 237 C CB 0.597 28.287 27.740 -0.084 0.000 1.897 237 C HN 1.889 nan 8.230 nan 0.000 0.469 238 Y N 0.625 120.889 120.300 -0.060 0.000 2.656 238 Y HA 0.768 5.332 4.550 0.023 0.000 0.334 238 Y C -1.103 174.779 175.900 -0.031 0.000 1.179 238 Y CA -1.745 56.336 58.100 -0.032 0.000 1.050 238 Y CB 0.975 39.433 38.460 -0.005 0.000 1.308 238 Y HN 0.671 nan 8.280 nan 0.000 0.456 239 M N 3.030 122.571 119.600 -0.099 0.000 2.108 239 M HA 0.309 4.802 4.480 0.022 0.000 0.347 239 M C -0.585 175.627 176.300 -0.147 0.000 1.326 239 M CA -0.104 55.098 55.300 -0.164 0.000 1.126 239 M CB 0.369 32.939 32.600 -0.050 0.000 1.606 239 M HN 0.836 nan 8.290 nan 0.000 0.462 240 E N 2.497 122.514 120.200 -0.305 0.000 2.222 240 E HA 0.298 4.661 4.350 0.022 0.000 0.272 240 E C -0.767 175.786 176.600 -0.079 0.000 0.982 240 E CA -0.384 55.929 56.400 -0.145 0.000 0.842 240 E CB 1.049 30.605 29.700 -0.239 0.000 1.144 240 E HN 0.319 nan 8.360 nan 0.000 0.397 241 E N 3.579 123.765 120.200 -0.023 0.000 2.217 241 E HA 0.015 4.378 4.350 0.022 0.000 0.279 241 E C 0.711 177.216 176.600 -0.158 0.000 1.068 241 E CA -0.223 56.103 56.400 -0.123 0.000 0.882 241 E CB 0.767 30.326 29.700 -0.235 0.000 1.039 241 E HN 0.512 nan 8.360 nan 0.000 0.418 242 L N 4.724 125.863 121.223 -0.139 0.000 2.270 242 L HA -0.242 4.111 4.340 0.022 0.000 0.217 242 L C 2.345 179.136 176.870 -0.132 0.000 1.107 242 L CA 1.794 56.559 54.840 -0.125 0.000 0.772 242 L CB -0.561 41.434 42.059 -0.107 0.000 0.902 242 L HN 0.555 nan 8.230 nan 0.000 0.439 243 R N -1.397 118.973 120.500 -0.216 0.000 2.127 243 R HA -0.188 4.165 4.340 0.022 0.000 0.238 243 R C 1.382 177.587 176.300 -0.158 0.000 1.134 243 R CA 2.148 58.107 56.100 -0.235 0.000 0.975 243 R CB -0.802 29.308 30.300 -0.316 0.000 0.865 243 R HN 0.544 nan 8.270 nan 0.000 0.447 244 H N -0.321 118.739 119.070 -0.016 0.000 2.551 244 H HA 0.299 4.870 4.556 0.024 0.000 0.271 244 H C -0.039 175.278 175.328 -0.018 0.000 0.984 244 H CA -0.492 55.551 56.048 -0.008 0.000 1.164 244 H CB 0.464 30.230 29.762 0.007 0.000 1.437 244 H HN 0.112 nan 8.280 nan 0.000 0.550 245 I N 1.967 122.567 120.570 0.050 0.000 2.276 245 I HA -0.001 4.182 4.170 0.022 0.000 0.290 245 I C 0.145 176.263 176.117 0.002 0.000 1.109 245 I CA -0.304 60.999 61.300 0.004 0.000 1.229 245 I CB 1.029 38.992 38.000 -0.062 0.000 1.452 245 I HN 0.160 nan 8.210 nan 0.000 0.497 246 D N 4.196 124.608 120.400 0.020 0.000 2.218 246 D HA -0.117 4.536 4.640 0.022 0.000 0.204 246 D C 1.964 178.267 176.300 0.005 0.000 0.976 246 D CA 1.401 55.409 54.000 0.014 0.000 0.853 246 D CB 0.266 41.075 40.800 0.014 0.000 0.939 246 D HN 0.505 nan 8.370 nan 0.000 0.481 247 L N 0.264 121.489 121.223 0.004 0.000 2.599 247 L HA 0.075 4.428 4.340 0.022 0.000 0.230 247 L C 0.252 177.134 176.870 0.019 0.000 1.141 247 L CA 0.193 55.041 54.840 0.012 0.000 0.877 247 L CB 0.167 42.237 42.059 0.018 0.000 1.009 247 L HN -0.179 nan 8.230 nan 0.000 0.447 248 V N -0.052 119.860 119.914 -0.004 0.000 2.459 248 V HA 0.180 4.313 4.120 0.022 0.000 0.295 248 V C 0.136 176.232 176.094 0.004 0.000 1.029 248 V CA -0.791 61.510 62.300 0.003 0.000 0.874 248 V CB 2.153 33.931 31.823 -0.075 0.000 0.985 248 V HN 0.107 nan 8.190 nan 0.000 0.438 249 E N 2.963 123.179 120.200 0.027 0.000 2.104 249 E HA 0.530 4.893 4.350 0.022 0.000 0.278 249 E C 0.270 176.877 176.600 0.012 0.000 1.127 249 E CA 0.362 56.773 56.400 0.018 0.000 0.897 249 E CB 0.474 30.188 29.700 0.024 0.000 1.043 249 E HN 0.982 nan 8.360 nan 0.000 0.410 250 G N 3.172 111.970 108.800 -0.003 0.000 2.347 250 G HA2 0.101 4.074 3.960 0.022 0.000 0.303 250 G HA3 0.101 4.074 3.960 0.022 0.000 0.303 250 G C -1.059 173.824 174.900 -0.027 0.000 1.481 250 G CA -0.349 44.746 45.100 -0.009 0.000 0.914 250 G HN 0.507 nan 8.290 nan 0.000 0.638 251 D N -1.208 119.173 120.400 -0.031 0.000 2.651 251 D HA 0.131 4.784 4.640 0.022 0.000 0.280 251 D C 0.241 176.508 176.300 -0.056 0.000 1.496 251 D CA 0.042 54.013 54.000 -0.050 0.000 0.792 251 D CB 0.188 40.965 40.800 -0.037 0.000 1.144 251 D HN 0.712 nan 8.370 nan 0.000 0.470 252 E N 0.635 120.808 120.200 -0.046 0.000 2.227 252 E HA 0.507 4.870 4.350 0.022 0.000 0.268 252 E C 0.658 177.229 176.600 -0.050 0.000 0.907 252 E CA -0.448 55.927 56.400 -0.042 0.000 0.786 252 E CB 1.938 31.626 29.700 -0.020 0.000 1.191 252 E HN 0.124 nan 8.360 nan 0.000 0.411 253 G N 2.343 111.114 108.800 -0.049 0.000 2.641 253 G HA2 -0.286 3.687 3.960 0.022 0.000 0.254 253 G HA3 -0.286 3.687 3.960 0.022 0.000 0.254 253 G C -0.692 174.166 174.900 -0.071 0.000 1.315 253 G CA 0.255 45.325 45.100 -0.050 0.000 0.907 253 G HN 0.803 nan 8.290 nan 0.000 0.572 254 R N -1.297 119.160 120.500 -0.072 0.000 2.888 254 R HA 0.803 5.156 4.340 0.022 0.000 0.266 254 R C 0.099 176.329 176.300 -0.117 0.000 1.020 254 R CA -0.561 55.483 56.100 -0.093 0.000 0.963 254 R CB 1.784 32.037 30.300 -0.078 0.000 1.197 254 R HN 1.103 nan 8.270 nan 0.000 0.481 255 M N 0.129 119.634 119.600 -0.159 0.000 2.271 255 M HA 0.390 4.883 4.480 0.022 0.000 0.285 255 M C -1.084 175.071 176.300 -0.242 0.000 1.059 255 M CA -0.749 54.430 55.300 -0.203 0.000 0.940 255 M CB 2.149 34.589 32.600 -0.267 0.000 1.636 255 M HN 0.749 nan 8.290 nan 0.000 0.460 256 C N 5.564 124.735 119.300 -0.215 0.000 2.642 256 C HA 0.436 4.909 4.460 0.022 0.000 0.420 256 C C -0.015 174.802 174.990 -0.288 0.000 1.349 256 C CA -0.065 58.809 59.018 -0.240 0.000 1.821 256 C CB -0.685 26.964 27.740 -0.152 0.000 2.637 256 C HN 0.786 nan 8.230 nan 0.000 0.605 257 I N 6.114 126.441 120.570 -0.404 0.000 2.433 257 I HA 0.292 4.475 4.170 0.022 0.000 0.292 257 I C -0.073 175.927 176.117 -0.196 0.000 1.001 257 I CA -0.167 60.939 61.300 -0.323 0.000 1.119 257 I CB 1.482 39.227 38.000 -0.425 0.000 1.289 257 I HN 0.736 nan 8.210 nan 0.000 0.438 258 N N 3.693 122.329 118.700 -0.107 0.000 2.589 258 N HA 0.104 4.857 4.740 0.022 0.000 0.232 258 N C 1.008 176.507 175.510 -0.018 0.000 1.015 258 N CA -0.240 52.770 53.050 -0.067 0.000 0.931 258 N CB 0.880 39.329 38.487 -0.064 0.000 1.150 258 N HN 0.697 nan 8.380 nan 0.000 0.512 259 T N -0.262 114.304 114.554 0.019 0.000 2.867 259 T HA -0.067 4.296 4.350 0.022 0.000 0.268 259 T C 0.178 174.949 174.700 0.119 0.000 1.057 259 T CA 0.548 62.714 62.100 0.110 0.000 1.136 259 T CB -0.290 68.731 68.868 0.255 0.000 0.874 259 T HN 0.510 nan 8.240 nan 0.000 0.466 260 E N 0.551 120.784 120.200 0.056 0.000 2.320 260 E HA -0.149 4.214 4.350 0.022 0.000 0.234 260 E C 0.161 176.946 176.600 0.309 0.000 1.183 260 E CA 0.755 57.232 56.400 0.127 0.000 0.713 260 E CB -1.874 27.897 29.700 0.117 0.000 1.226 260 E HN 0.969 nan 8.360 nan 0.000 0.382 261 W N -0.680 120.735 121.300 0.193 0.000 2.721 261 W HA 0.183 4.857 4.660 0.024 0.000 0.245 261 W C 1.504 178.200 176.519 0.295 0.000 1.276 261 W CA 0.710 58.182 57.345 0.212 0.000 1.342 261 W CB -1.250 28.209 29.460 -0.003 0.000 1.135 261 W HN 0.136 nan 8.180 nan 0.000 0.654 262 G N 1.308 110.566 108.800 0.763 0.000 2.450 262 G HA2 -0.134 3.839 3.960 0.022 0.000 0.220 262 G HA3 -0.134 3.839 3.960 0.022 0.000 0.220 262 G C 1.672 176.837 174.900 0.440 0.000 1.130 262 G CA 1.574 47.024 45.100 0.584 0.000 0.760 262 G HN 0.479 nan 8.290 nan 0.000 0.557 263 A N -0.162 122.882 122.820 0.373 0.000 2.238 263 A HA 0.419 4.752 4.320 0.022 0.000 0.208 263 A C 0.705 178.492 177.584 0.337 0.000 1.177 263 A CA -0.662 51.549 52.037 0.289 0.000 0.804 263 A CB -0.382 18.750 19.000 0.220 0.000 0.823 263 A HN 0.234 nan 8.150 nan 0.000 0.482 264 F N 1.303 121.376 119.950 0.204 0.000 2.623 264 F HA 0.325 4.866 4.527 0.023 0.000 0.386 264 F C 1.376 177.244 175.800 0.113 0.000 1.068 264 F CA 1.035 59.103 58.000 0.113 0.000 1.265 264 F CB -0.294 38.635 39.000 -0.119 0.000 1.026 264 F HN 0.442 nan 8.300 nan 0.000 0.568 265 G N 4.154 112.993 108.800 0.066 0.000 2.179 265 G HA2 -0.335 3.638 3.960 0.022 0.000 0.260 265 G HA3 -0.335 3.638 3.960 0.022 0.000 0.260 265 G C 0.910 175.806 174.900 -0.007 0.000 0.977 265 G CA 0.437 45.454 45.100 -0.137 0.000 0.641 265 G HN 0.622 nan 8.290 nan 0.000 0.533 266 D N 1.622 122.065 120.400 0.072 0.000 2.137 266 D HA -0.033 4.620 4.640 0.022 0.000 0.193 266 D C 1.432 177.755 176.300 0.037 0.000 0.993 266 D CA 1.589 55.626 54.000 0.062 0.000 0.846 266 D CB -0.532 40.323 40.800 0.092 0.000 0.990 266 D HN 0.739 nan 8.370 nan 0.000 0.448 267 D N 0.184 120.613 120.400 0.048 0.000 2.648 267 D HA 0.008 4.661 4.640 0.022 0.000 0.229 267 D C 0.825 177.132 176.300 0.013 0.000 1.119 267 D CA 0.499 54.519 54.000 0.034 0.000 0.850 267 D CB 0.252 41.082 40.800 0.049 0.000 1.169 267 D HN 0.150 nan 8.370 nan 0.000 0.489 268 G N 1.868 110.668 108.800 0.000 0.000 3.211 268 G HA2 0.050 4.023 3.960 0.022 0.000 0.235 268 G HA3 0.050 4.023 3.960 0.022 0.000 0.235 268 G C 1.052 175.933 174.900 -0.032 0.000 1.032 268 G CA 0.185 45.274 45.100 -0.019 0.000 1.819 268 G HN 0.572 nan 8.290 nan 0.000 0.590 269 S N -0.585 115.092 115.700 -0.038 0.000 2.603 269 S HA 0.191 4.674 4.470 0.022 0.000 0.220 269 S C 1.352 175.884 174.600 -0.113 0.000 0.967 269 S CA -0.140 58.033 58.200 -0.046 0.000 0.920 269 S CB 0.070 63.274 63.200 0.008 0.000 0.773 269 S HN 0.323 nan 8.310 nan 0.000 0.529 270 L N 0.701 121.830 121.223 -0.156 0.000 3.014 270 L HA 0.362 4.714 4.340 0.022 0.000 0.263 270 L C 1.373 178.180 176.870 -0.106 0.000 1.207 270 L CA -0.066 54.665 54.840 -0.182 0.000 1.017 270 L CB 0.259 42.141 42.059 -0.295 0.000 1.360 270 L HN 0.140 nan 8.230 nan 0.000 0.560 271 E N 1.102 121.256 120.200 -0.077 0.000 2.265 271 E HA -0.214 4.149 4.350 0.022 0.000 0.196 271 E C 1.347 177.916 176.600 -0.052 0.000 0.996 271 E CA 1.373 57.739 56.400 -0.057 0.000 0.832 271 E CB 0.073 29.747 29.700 -0.044 0.000 0.756 271 E HN 0.642 nan 8.360 nan 0.000 0.491 272 D N 0.305 120.675 120.400 -0.050 0.000 2.234 272 D HA -0.120 4.533 4.640 0.022 0.000 0.205 272 D C 2.030 178.302 176.300 -0.046 0.000 0.962 272 D CA 0.508 54.484 54.000 -0.041 0.000 0.855 272 D CB -0.504 40.277 40.800 -0.032 0.000 0.951 272 D HN 0.427 nan 8.370 nan 0.000 0.500 273 I N -2.175 118.361 120.570 -0.058 0.000 3.265 273 I HA 0.216 4.399 4.170 0.022 0.000 0.282 273 I C 0.822 176.908 176.117 -0.053 0.000 1.207 273 I CA -0.410 60.857 61.300 -0.056 0.000 1.449 273 I CB -0.029 37.938 38.000 -0.055 0.000 1.121 273 I HN -0.332 nan 8.210 nan 0.000 0.442 274 R N 2.307 122.771 120.500 -0.059 0.000 2.640 274 R HA 0.230 4.583 4.340 0.022 0.000 0.270 274 R C 0.328 176.600 176.300 -0.046 0.000 1.024 274 R CA 0.939 57.008 56.100 -0.053 0.000 1.085 274 R CB 0.291 30.555 30.300 -0.061 0.000 0.963 274 R HN 0.555 nan 8.270 nan 0.000 0.426 275 T N -2.515 112.019 114.554 -0.033 0.000 2.905 275 T HA 0.120 4.483 4.350 0.022 0.000 0.283 275 T C 1.256 175.876 174.700 -0.133 0.000 1.031 275 T CA -0.826 61.234 62.100 -0.067 0.000 1.002 275 T CB 1.351 70.219 68.868 -0.001 0.000 1.200 275 T HN 0.703 nan 8.240 nan 0.000 0.560 276 E N 0.150 120.181 120.200 -0.280 0.000 2.147 276 E HA -0.221 4.142 4.350 0.022 0.000 0.199 276 E C 1.354 177.743 176.600 -0.350 0.000 1.005 276 E CA 1.505 57.683 56.400 -0.369 0.000 0.810 276 E CB -0.747 28.625 29.700 -0.547 0.000 0.736 276 E HN 0.611 nan 8.360 nan 0.000 0.460 277 F N 2.275 122.213 119.950 -0.020 0.000 2.186 277 F HA -0.092 4.448 4.527 0.021 0.000 0.299 277 F C 2.082 177.870 175.800 -0.020 0.000 1.090 277 F CA 1.347 59.340 58.000 -0.012 0.000 1.307 277 F CB -0.343 38.653 39.000 -0.006 0.000 1.019 277 F HN -0.014 nan 8.300 nan 0.000 0.489 278 D N -0.232 120.224 120.400 0.094 0.000 2.234 278 D HA -0.052 4.601 4.640 0.022 0.000 0.205 278 D C 2.211 178.501 176.300 -0.016 0.000 0.962 278 D CA 0.662 54.674 54.000 0.020 0.000 0.855 278 D CB -0.225 40.568 40.800 -0.013 0.000 0.951 278 D HN 0.306 nan 8.370 nan 0.000 0.500 279 R N 0.643 121.123 120.500 -0.032 0.000 2.153 279 R HA -0.019 4.334 4.340 0.022 0.000 0.218 279 R C 2.131 178.419 176.300 -0.020 0.000 1.072 279 R CA 0.561 56.638 56.100 -0.038 0.000 0.990 279 R CB 0.113 30.378 30.300 -0.057 0.000 0.889 279 R HN 0.213 nan 8.270 nan 0.000 0.452 280 E N 1.030 121.227 120.200 -0.005 0.000 2.122 280 E HA -0.098 4.265 4.350 0.022 0.000 0.190 280 E C 1.902 178.526 176.600 0.040 0.000 0.977 280 E CA 0.441 56.852 56.400 0.019 0.000 0.820 280 E CB 0.092 29.813 29.700 0.034 0.000 0.770 280 E HN 0.245 nan 8.360 nan 0.000 0.462 281 I N 1.327 121.929 120.570 0.052 0.000 2.208 281 I HA -0.290 3.893 4.170 0.022 0.000 0.245 281 I C 2.022 178.158 176.117 0.032 0.000 1.097 281 I CA 1.929 63.264 61.300 0.058 0.000 1.363 281 I CB -0.093 37.950 38.000 0.071 0.000 1.051 281 I HN 0.207 nan 8.210 nan 0.000 0.413 282 D N 0.596 120.993 120.400 -0.004 0.000 2.149 282 D HA -0.247 4.406 4.640 0.022 0.000 0.198 282 D C 2.251 178.561 176.300 0.018 0.000 0.990 282 D CA 1.460 55.454 54.000 -0.009 0.000 0.839 282 D CB -0.021 40.763 40.800 -0.026 0.000 0.948 282 D HN 0.233 nan 8.370 nan 0.000 0.460 283 R N -1.066 119.446 120.500 0.019 0.000 2.193 283 R HA 0.027 4.380 4.340 0.022 0.000 0.229 283 R C 1.977 178.297 176.300 0.033 0.000 1.110 283 R CA 1.199 57.313 56.100 0.023 0.000 0.988 283 R CB -0.069 30.241 30.300 0.016 0.000 0.871 283 R HN 0.217 nan 8.270 nan 0.000 0.458 284 G N -0.341 108.487 108.800 0.046 0.000 3.192 284 G HA2 0.003 3.975 3.960 0.022 0.000 0.239 284 G HA3 0.003 3.975 3.960 0.022 0.000 0.239 284 G C 0.159 175.100 174.900 0.069 0.000 1.084 284 G CA -0.129 45.002 45.100 0.051 0.000 0.784 284 G HN 0.277 nan 8.290 nan 0.000 0.540 285 S N -0.582 115.169 115.700 0.085 0.000 2.681 285 S HA 0.432 4.915 4.470 0.022 0.000 0.270 285 S C 1.220 175.883 174.600 0.104 0.000 1.209 285 S CA -0.668 57.608 58.200 0.126 0.000 0.988 285 S CB 1.420 64.710 63.200 0.151 0.000 1.006 285 S HN -0.035 nan 8.310 nan 0.000 0.558 286 L N 0.699 122.000 121.223 0.130 0.000 2.395 286 L HA 0.075 4.428 4.340 0.022 0.000 0.218 286 L C 0.570 177.515 176.870 0.125 0.000 1.130 286 L CA 0.851 55.759 54.840 0.113 0.000 0.826 286 L CB -0.541 41.609 42.059 0.152 0.000 0.941 286 L HN 0.897 nan 8.230 nan 0.000 0.451 287 N N -0.766 118.016 118.700 0.138 0.000 2.752 287 N HA 0.257 5.010 4.740 0.022 0.000 0.260 287 N C -2.878 172.689 175.510 0.096 0.000 1.562 287 N CA -1.411 51.717 53.050 0.130 0.000 0.788 287 N CB 0.935 39.524 38.487 0.171 0.000 1.192 287 N HN -0.140 nan 8.380 nan 0.000 0.503 288 P HA 0.174 nan 4.420 nan 0.000 0.276 288 P C 1.014 178.341 177.300 0.044 0.000 1.230 288 P CA 0.892 64.020 63.100 0.048 0.000 0.776 288 P CB 1.315 33.039 31.700 0.040 0.000 0.888 289 G N 2.032 110.850 108.800 0.030 0.000 2.175 289 G HA2 -0.223 3.750 3.960 0.022 0.000 0.244 289 G HA3 -0.223 3.750 3.960 0.022 0.000 0.244 289 G C 0.002 174.930 174.900 0.047 0.000 0.982 289 G CA 0.087 45.206 45.100 0.032 0.000 0.641 289 G HN 0.574 nan 8.290 nan 0.000 0.527 290 K N -0.280 120.154 120.400 0.057 0.000 2.385 290 K HA 0.653 4.986 4.320 0.022 0.000 0.248 290 K C 0.423 177.070 176.600 0.077 0.000 0.955 290 K CA -0.801 55.535 56.287 0.082 0.000 0.816 290 K CB 1.124 33.687 32.500 0.105 0.000 1.250 290 K HN 0.049 nan 8.250 nan 0.000 0.434 291 Q N 1.536 121.403 119.800 0.110 0.000 2.451 291 Q HA -0.231 4.122 4.340 0.022 0.000 0.305 291 Q C 0.447 176.481 176.000 0.056 0.000 1.345 291 Q CA 0.534 56.412 55.803 0.126 0.000 0.854 291 Q CB -2.115 26.710 28.738 0.145 0.000 1.162 291 Q HN 0.706 nan 8.270 nan 0.000 0.440 292 L N -1.704 119.550 121.223 0.051 0.000 2.083 292 L HA -0.139 4.214 4.340 0.022 0.000 0.209 292 L C 2.068 178.937 176.870 -0.002 0.000 1.083 292 L CA 1.593 56.427 54.840 -0.009 0.000 0.752 292 L CB -0.479 41.572 42.059 -0.013 0.000 0.899 292 L HN 0.287 nan 8.230 nan 0.000 0.433 293 F N 1.280 121.194 119.950 -0.060 0.000 2.206 293 F HA -0.179 4.361 4.527 0.021 0.000 0.298 293 F C 2.560 178.337 175.800 -0.038 0.000 1.090 293 F CA 1.667 59.620 58.000 -0.078 0.000 1.323 293 F CB -0.151 38.850 39.000 0.001 0.000 1.028 293 F HN 0.128 nan 8.300 nan 0.000 0.492 294 E N 0.492 120.692 120.200 -0.001 0.000 2.153 294 E HA -0.237 4.126 4.350 0.022 0.000 0.194 294 E C 1.890 178.420 176.600 -0.116 0.000 0.988 294 E CA 1.382 57.774 56.400 -0.013 0.000 0.811 294 E CB -0.223 29.592 29.700 0.192 0.000 0.746 294 E HN 0.426 nan 8.360 nan 0.000 0.466 295 K N -0.358 119.855 120.400 -0.312 0.000 2.442 295 K HA -0.015 4.318 4.320 0.022 0.000 0.198 295 K C 1.779 178.214 176.600 -0.275 0.000 1.042 295 K CA 0.901 56.831 56.287 -0.595 0.000 0.958 295 K CB 0.060 32.175 32.500 -0.642 0.000 0.766 295 K HN 0.296 nan 8.250 nan 0.000 0.474 296 M N -0.558 118.891 119.600 -0.252 0.000 2.492 296 M HA -0.020 4.473 4.480 0.022 0.000 0.255 296 M C 1.338 177.523 176.300 -0.191 0.000 1.139 296 M CA 0.573 55.748 55.300 -0.207 0.000 1.096 296 M CB 0.829 33.276 32.600 -0.255 0.000 1.360 296 M HN -0.067 nan 8.290 nan 0.000 0.480 297 V N -1.486 118.297 119.914 -0.219 0.000 2.911 297 V HA 0.068 4.201 4.120 0.022 0.000 0.237 297 V C 1.085 177.168 176.094 -0.018 0.000 1.156 297 V CA 0.537 62.743 62.300 -0.157 0.000 1.180 297 V CB 0.701 32.324 31.823 -0.334 0.000 0.932 297 V HN 0.417 nan 8.190 nan 0.000 0.483 298 S N 0.652 116.388 115.700 0.060 0.000 2.632 298 S HA 0.385 4.868 4.470 0.022 0.000 0.267 298 S C 1.461 176.077 174.600 0.026 0.000 1.276 298 S CA 0.265 58.502 58.200 0.062 0.000 0.998 298 S CB 1.293 64.570 63.200 0.128 0.000 0.953 298 S HN 0.421 nan 8.310 nan 0.000 0.547 299 G N 0.967 109.731 108.800 -0.061 0.000 2.450 299 G HA2 -0.224 3.749 3.960 0.022 0.000 0.220 299 G HA3 -0.224 3.749 3.960 0.022 0.000 0.220 299 G C 1.265 176.094 174.900 -0.118 0.000 1.130 299 G CA 1.023 46.071 45.100 -0.088 0.000 0.760 299 G HN 0.839 nan 8.290 nan 0.000 0.557 300 M N -0.894 118.562 119.600 -0.240 0.000 2.476 300 M HA 0.125 4.618 4.480 0.022 0.000 0.262 300 M C 1.465 177.476 176.300 -0.481 0.000 1.079 300 M CA 1.132 56.178 55.300 -0.424 0.000 1.104 300 M CB 0.112 32.322 32.600 -0.649 0.000 1.409 300 M HN 0.294 nan 8.290 nan 0.000 0.467 301 Y N -1.389 118.921 120.300 0.017 0.000 2.483 301 Y HA 0.170 4.733 4.550 0.021 0.000 0.258 301 Y C 1.566 177.481 175.900 0.024 0.000 1.083 301 Y CA -0.229 57.884 58.100 0.023 0.000 1.283 301 Y CB -0.197 38.270 38.460 0.013 0.000 1.178 301 Y HN 0.071 nan 8.280 nan 0.000 0.515 302 L N 0.240 121.542 121.223 0.132 0.000 2.141 302 L HA -0.037 4.316 4.340 0.022 0.000 0.209 302 L C 2.365 179.309 176.870 0.123 0.000 1.094 302 L CA 1.869 56.771 54.840 0.103 0.000 0.763 302 L CB -1.205 40.891 42.059 0.061 0.000 0.908 302 L HN 0.315 nan 8.230 nan 0.000 0.437 303 G N -1.772 107.108 108.800 0.133 0.000 2.403 303 G HA2 -0.191 3.782 3.960 0.022 0.000 0.216 303 G HA3 -0.191 3.782 3.960 0.022 0.000 0.216 303 G C 1.567 176.594 174.900 0.213 0.000 1.154 303 G CA 0.140 45.370 45.100 0.218 0.000 0.784 303 G HN 0.251 nan 8.290 nan 0.000 0.538 304 E N 0.065 120.353 120.200 0.148 0.000 2.106 304 E HA -0.025 4.338 4.350 0.022 0.000 0.192 304 E C 2.566 179.215 176.600 0.082 0.000 0.984 304 E CA 0.255 56.728 56.400 0.122 0.000 0.806 304 E CB -0.260 29.524 29.700 0.140 0.000 0.750 304 E HN 0.247 nan 8.360 nan 0.000 0.458 305 L N 0.308 121.581 121.223 0.084 0.000 2.012 305 L HA -0.162 4.191 4.340 0.022 0.000 0.210 305 L C 2.478 179.304 176.870 -0.074 0.000 1.073 305 L CA 1.180 56.041 54.840 0.034 0.000 0.748 305 L CB -1.036 41.053 42.059 0.051 0.000 0.891 305 L HN -0.024 nan 8.230 nan 0.000 0.431 306 V N -0.544 119.322 119.914 -0.080 0.000 2.343 306 V HA -0.283 3.850 4.120 0.022 0.000 0.247 306 V C 2.780 178.667 176.094 -0.344 0.000 1.051 306 V CA 1.835 64.001 62.300 -0.223 0.000 1.036 306 V CB -0.566 31.142 31.823 -0.192 0.000 0.654 306 V HN 0.470 nan 8.190 nan 0.000 0.451 307 R N -0.259 120.074 120.500 -0.278 0.000 2.083 307 R HA -0.158 4.195 4.340 0.022 0.000 0.237 307 R C 2.327 178.558 176.300 -0.115 0.000 1.137 307 R CA 1.758 57.723 56.100 -0.225 0.000 0.951 307 R CB -0.378 29.898 30.300 -0.041 0.000 0.851 307 R HN 0.448 nan 8.270 nan 0.000 0.434 308 L N 0.490 121.685 121.223 -0.047 0.000 2.043 308 L HA -0.239 4.114 4.340 0.022 0.000 0.212 308 L C 2.478 179.330 176.870 -0.029 0.000 1.075 308 L CA 1.423 56.285 54.840 0.036 0.000 0.752 308 L CB -0.386 41.761 42.059 0.147 0.000 0.891 308 L HN 0.280 nan 8.230 nan 0.000 0.432 309 I N -0.550 119.842 120.570 -0.298 0.000 2.252 309 I HA -0.284 3.899 4.170 0.022 0.000 0.245 309 I C 2.384 178.358 176.117 -0.240 0.000 1.102 309 I CA 1.106 62.109 61.300 -0.496 0.000 1.385 309 I CB -0.215 37.386 38.000 -0.665 0.000 1.064 309 I HN 0.214 nan 8.210 nan 0.000 0.414 310 L N -0.142 120.943 121.223 -0.230 0.000 2.046 310 L HA -0.178 4.175 4.340 0.022 0.000 0.208 310 L C 2.630 179.455 176.870 -0.075 0.000 1.077 310 L CA 0.993 55.722 54.840 -0.185 0.000 0.747 310 L CB -0.772 41.181 42.059 -0.177 0.000 0.896 310 L HN 0.099 nan 8.230 nan 0.000 0.432 311 V N 0.352 120.258 119.914 -0.013 0.000 2.343 311 V HA -0.302 3.831 4.120 0.022 0.000 0.247 311 V C 2.613 178.738 176.094 0.052 0.000 1.051 311 V CA 2.069 64.397 62.300 0.046 0.000 1.036 311 V CB -0.486 31.374 31.823 0.061 0.000 0.654 311 V HN 0.441 nan 8.190 nan 0.000 0.451 312 K N -0.440 120.015 120.400 0.090 0.000 2.057 312 K HA -0.119 4.214 4.320 0.022 0.000 0.206 312 K C 2.189 178.833 176.600 0.073 0.000 1.050 312 K CA 1.527 57.903 56.287 0.148 0.000 0.935 312 K CB -0.183 32.507 32.500 0.316 0.000 0.715 312 K HN 0.335 nan 8.250 nan 0.000 0.439 313 M N 0.141 119.709 119.600 -0.053 0.000 2.213 313 M HA -0.136 4.357 4.480 0.022 0.000 0.263 313 M C 2.232 178.407 176.300 -0.208 0.000 1.062 313 M CA 1.568 56.725 55.300 -0.238 0.000 1.105 313 M CB -0.171 32.181 32.600 -0.413 0.000 1.385 313 M HN 0.331 nan 8.290 nan 0.000 0.417 314 A N 0.474 123.198 122.820 -0.160 0.000 1.872 314 A HA -0.147 4.186 4.320 0.022 0.000 0.214 314 A C 2.034 179.609 177.584 -0.016 0.000 1.187 314 A CA 1.530 53.508 52.037 -0.097 0.000 0.614 314 A CB -0.459 18.587 19.000 0.077 0.000 0.826 314 A HN 0.389 nan 8.150 nan 0.000 0.442 315 K N -0.230 120.180 120.400 0.017 0.000 2.211 315 K HA -0.149 4.184 4.320 0.022 0.000 0.204 315 K C 1.449 178.063 176.600 0.023 0.000 1.047 315 K CA 1.590 57.897 56.287 0.033 0.000 0.935 315 K CB -0.092 32.437 32.500 0.049 0.000 0.728 315 K HN 0.603 nan 8.250 nan 0.000 0.452 316 E N -1.001 119.205 120.200 0.010 0.000 2.474 316 E HA 0.052 4.415 4.350 0.022 0.000 0.195 316 E C 0.594 177.185 176.600 -0.015 0.000 1.039 316 E CA 0.232 56.642 56.400 0.017 0.000 0.881 316 E CB 0.754 30.489 29.700 0.059 0.000 0.970 316 E HN 0.429 nan 8.360 nan 0.000 0.486 317 G N 0.968 109.743 108.800 -0.041 0.000 2.141 317 G HA2 -0.281 3.692 3.960 0.022 0.000 0.242 317 G HA3 -0.281 3.692 3.960 0.022 0.000 0.242 317 G C 0.762 175.604 174.900 -0.096 0.000 0.982 317 G CA 0.252 45.323 45.100 -0.048 0.000 0.662 317 G HN 0.269 nan 8.290 nan 0.000 0.527 318 L N -0.924 120.201 121.223 -0.163 0.000 2.375 318 L HA 0.415 4.768 4.340 0.022 0.000 0.215 318 L C 1.259 177.959 176.870 -0.283 0.000 1.108 318 L CA 0.624 55.337 54.840 -0.212 0.000 0.830 318 L CB 0.001 41.877 42.059 -0.305 0.000 0.959 318 L HN 0.210 nan 8.230 nan 0.000 0.457 319 L N -1.003 119.978 121.223 -0.402 0.000 2.370 319 L HA 0.349 4.702 4.340 0.022 0.000 0.266 319 L C -0.369 176.167 176.870 -0.556 0.000 1.002 319 L CA -1.007 53.388 54.840 -0.743 0.000 0.818 319 L CB 1.943 43.186 42.059 -1.360 0.000 1.325 319 L HN -0.060 nan 8.230 nan 0.000 0.418 320 F N -0.040 119.892 119.950 -0.032 0.000 3.069 320 F HA -0.264 4.276 4.527 0.021 0.000 0.285 320 F C 1.072 176.863 175.800 -0.016 0.000 0.827 320 F CA 0.811 58.799 58.000 -0.020 0.000 1.108 320 F CB -2.749 36.240 39.000 -0.019 0.000 1.252 320 F HN 0.786 nan 8.300 nan 0.000 0.483 321 E N -1.725 118.524 120.200 0.082 0.000 2.660 321 E HA -0.166 4.197 4.350 0.022 0.000 0.260 321 E C 1.506 178.137 176.600 0.051 0.000 1.122 321 E CA 0.945 57.372 56.400 0.046 0.000 0.755 321 E CB -1.540 28.190 29.700 0.051 0.000 1.345 321 E HN 1.456 nan 8.360 nan 0.000 0.421 322 G N -0.165 108.668 108.800 0.055 0.000 2.175 322 G HA2 -0.362 3.611 3.960 0.022 0.000 0.244 322 G HA3 -0.362 3.611 3.960 0.022 0.000 0.244 322 G C 0.263 175.224 174.900 0.101 0.000 0.982 322 G CA 0.230 45.363 45.100 0.056 0.000 0.641 322 G HN 0.255 nan 8.290 nan 0.000 0.527 323 R N -0.380 120.213 120.500 0.155 0.000 2.594 323 R HA 0.646 4.999 4.340 0.022 0.000 0.272 323 R C -0.087 176.311 176.300 0.163 0.000 1.074 323 R CA 0.208 56.383 56.100 0.125 0.000 1.105 323 R CB 0.645 30.996 30.300 0.085 0.000 1.008 323 R HN 0.306 nan 8.270 nan 0.000 0.472 324 I N 0.896 121.521 120.570 0.092 0.000 2.607 324 I HA 0.178 4.361 4.170 0.022 0.000 0.290 324 I C 0.062 176.197 176.117 0.030 0.000 1.129 324 I CA -0.415 60.939 61.300 0.090 0.000 1.042 324 I CB 2.464 40.512 38.000 0.080 0.000 1.242 324 I HN 0.707 nan 8.210 nan 0.000 0.421 325 T N 2.128 116.684 114.554 0.003 0.000 2.949 325 T HA 0.503 4.866 4.350 0.022 0.000 0.287 325 T C -2.037 172.665 174.700 0.003 0.000 1.034 325 T CA -1.901 60.191 62.100 -0.012 0.000 1.018 325 T CB 1.848 70.687 68.868 -0.048 0.000 1.135 325 T HN 0.312 nan 8.240 nan 0.000 0.532 326 P HA -0.053 nan 4.420 nan 0.000 0.218 326 P C 0.893 178.199 177.300 0.010 0.000 1.149 326 P CA 1.106 64.211 63.100 0.008 0.000 0.817 326 P CB 0.184 31.886 31.700 0.004 0.000 0.785 327 E N 0.185 120.386 120.200 0.002 0.000 2.051 327 E HA -0.140 4.223 4.350 0.022 0.000 0.192 327 E C 2.011 178.627 176.600 0.026 0.000 0.991 327 E CA 0.692 57.097 56.400 0.009 0.000 0.799 327 E CB -1.282 28.417 29.700 -0.002 0.000 0.748 327 E HN 0.099 nan 8.360 nan 0.000 0.449 328 L N 0.231 121.466 121.223 0.019 0.000 2.187 328 L HA -0.095 4.258 4.340 0.022 0.000 0.213 328 L C 1.561 178.460 176.870 0.050 0.000 1.100 328 L CA 1.479 56.344 54.840 0.042 0.000 0.765 328 L CB -0.057 42.028 42.059 0.044 0.000 0.904 328 L HN 0.142 nan 8.230 nan 0.000 0.437 329 L N -1.327 119.921 121.223 0.041 0.000 2.558 329 L HA 0.072 4.425 4.340 0.022 0.000 0.225 329 L C 0.339 177.233 176.870 0.040 0.000 1.128 329 L CA -0.076 54.789 54.840 0.042 0.000 0.868 329 L CB -0.447 41.634 42.059 0.036 0.000 1.006 329 L HN 0.074 nan 8.230 nan 0.000 0.454 330 T N 1.070 115.648 114.554 0.040 0.000 2.743 330 T HA 0.173 4.536 4.350 0.022 0.000 0.293 330 T C 0.352 175.080 174.700 0.047 0.000 0.945 330 T CA -0.509 61.613 62.100 0.037 0.000 1.030 330 T CB 1.097 69.983 68.868 0.029 0.000 0.912 330 T HN 0.125 nan 8.240 nan 0.000 0.483 331 R N 2.011 122.537 120.500 0.043 0.000 2.500 331 R HA 0.096 4.449 4.340 0.022 0.000 0.281 331 R C 1.419 177.750 176.300 0.051 0.000 0.953 331 R CA 1.733 57.862 56.100 0.050 0.000 1.108 331 R CB -0.402 29.922 30.300 0.040 0.000 0.901 331 R HN 1.069 nan 8.270 nan 0.000 0.410 332 G N 3.522 112.362 108.800 0.066 0.000 2.176 332 G HA2 -0.262 3.711 3.960 0.022 0.000 0.253 332 G HA3 -0.262 3.711 3.960 0.022 0.000 0.253 332 G C 0.767 175.708 174.900 0.068 0.000 0.979 332 G CA 0.334 45.469 45.100 0.059 0.000 0.641 332 G HN 0.603 nan 8.290 nan 0.000 0.530 333 K N -0.687 119.767 120.400 0.090 0.000 2.418 333 K HA 0.235 4.568 4.320 0.022 0.000 0.195 333 K C 0.164 176.849 176.600 0.141 0.000 1.035 333 K CA 0.031 56.370 56.287 0.087 0.000 1.003 333 K CB 0.103 32.651 32.500 0.079 0.000 0.793 333 K HN 0.448 nan 8.250 nan 0.000 0.494 334 F N 2.986 122.939 119.950 0.005 0.000 2.359 334 F HA 0.191 4.730 4.527 0.021 0.000 0.369 334 F C 0.155 175.957 175.800 0.004 0.000 1.084 334 F CA -1.182 56.822 58.000 0.005 0.000 1.096 334 F CB 0.362 39.371 39.000 0.015 0.000 1.335 334 F HN 0.013 nan 8.300 nan 0.000 0.457 335 N N 1.267 119.901 118.700 -0.110 0.000 2.478 335 N HA 0.161 4.914 4.740 0.022 0.000 0.275 335 N C 0.872 176.351 175.510 -0.051 0.000 1.221 335 N CA -0.028 53.004 53.050 -0.031 0.000 0.979 335 N CB 1.347 39.813 38.487 -0.035 0.000 1.202 335 N HN 0.446 nan 8.380 nan 0.000 0.564 336 T N -2.272 112.280 114.554 -0.004 0.000 2.929 336 T HA -0.169 4.194 4.350 0.022 0.000 0.271 336 T C 1.831 176.521 174.700 -0.016 0.000 1.085 336 T CA 1.658 63.767 62.100 0.015 0.000 1.125 336 T CB -0.731 68.148 68.868 0.018 0.000 0.874 336 T HN 0.629 nan 8.240 nan 0.000 0.494 337 S N 0.527 116.190 115.700 -0.062 0.000 2.527 337 S HA -0.005 4.478 4.470 0.022 0.000 0.222 337 S C 1.468 175.991 174.600 -0.128 0.000 0.985 337 S CA 0.464 58.619 58.200 -0.075 0.000 0.921 337 S CB -0.211 62.945 63.200 -0.073 0.000 0.772 337 S HN 0.492 nan 8.310 nan 0.000 0.529 338 D N 1.801 122.071 120.400 -0.218 0.000 2.162 338 D HA 0.030 4.683 4.640 0.022 0.000 0.203 338 D C 2.055 178.206 176.300 -0.248 0.000 0.967 338 D CA 0.759 54.532 54.000 -0.377 0.000 0.840 338 D CB -0.286 40.007 40.800 -0.844 0.000 0.972 338 D HN 0.342 nan 8.370 nan 0.000 0.482 339 V N 0.917 120.787 119.914 -0.074 0.000 2.427 339 V HA -0.185 3.948 4.120 0.022 0.000 0.248 339 V C 2.498 178.638 176.094 0.077 0.000 1.051 339 V CA 1.404 63.777 62.300 0.122 0.000 1.048 339 V CB -0.466 31.491 31.823 0.224 0.000 0.666 339 V HN 0.118 nan 8.190 nan 0.000 0.456 340 S N 0.555 116.269 115.700 0.023 0.000 2.348 340 S HA -0.190 4.293 4.470 0.022 0.000 0.221 340 S C 2.244 176.738 174.600 -0.176 0.000 1.033 340 S CA 1.576 59.691 58.200 -0.141 0.000 1.010 340 S CB -0.569 62.586 63.200 -0.074 0.000 0.891 340 S HN 0.647 nan 8.310 nan 0.000 0.442 341 A N 1.018 123.768 122.820 -0.117 0.000 1.972 341 A HA 0.001 4.334 4.320 0.022 0.000 0.219 341 A C 2.020 179.556 177.584 -0.079 0.000 1.169 341 A CA 1.063 53.039 52.037 -0.102 0.000 0.635 341 A CB -0.644 18.296 19.000 -0.100 0.000 0.810 341 A HN 0.513 nan 8.150 nan 0.000 0.446 342 I N -0.796 119.739 120.570 -0.057 0.000 2.617 342 I HA -0.139 4.044 4.170 0.022 0.000 0.256 342 I C 1.880 177.995 176.117 -0.004 0.000 1.167 342 I CA 0.964 62.261 61.300 -0.005 0.000 1.469 342 I CB -0.249 37.789 38.000 0.063 0.000 1.098 342 I HN 0.390 nan 8.210 nan 0.000 0.436 343 E N 0.765 120.933 120.200 -0.053 0.000 2.502 343 E HA -0.034 4.329 4.350 0.022 0.000 0.194 343 E C 0.411 176.949 176.600 -0.104 0.000 1.062 343 E CA -0.065 56.294 56.400 -0.069 0.000 0.867 343 E CB 0.218 29.843 29.700 -0.126 0.000 0.888 343 E HN 0.200 nan 8.360 nan 0.000 0.510 344 K N 1.142 121.482 120.400 -0.099 0.000 2.489 344 K HA -0.050 4.283 4.320 0.022 0.000 0.278 344 K C 0.635 177.214 176.600 -0.035 0.000 1.000 344 K CA 0.072 56.314 56.287 -0.075 0.000 1.012 344 K CB 0.428 32.893 32.500 -0.057 0.000 0.903 344 K HN 0.026 nan 8.250 nan 0.000 0.485 345 N N 2.518 121.199 118.700 -0.032 0.000 2.043 345 N HA -0.185 4.568 4.740 0.022 0.000 0.193 345 N C 0.809 176.318 175.510 -0.002 0.000 1.037 345 N CA 1.406 54.449 53.050 -0.012 0.000 0.851 345 N CB 0.055 38.533 38.487 -0.015 0.000 1.027 345 N HN 0.384 nan 8.380 nan 0.000 0.422 346 K N 0.658 121.055 120.400 -0.004 0.000 2.017 346 K HA 0.090 4.423 4.320 0.022 0.000 0.207 346 K C 1.580 178.190 176.600 0.017 0.000 1.035 346 K CA 0.888 57.176 56.287 0.003 0.000 0.947 346 K CB -0.483 32.015 32.500 -0.004 0.000 0.749 346 K HN 0.096 nan 8.250 nan 0.000 0.443 347 E N 0.868 121.081 120.200 0.022 0.000 2.516 347 E HA 0.003 4.366 4.350 0.022 0.000 0.199 347 E C 1.711 178.350 176.600 0.066 0.000 1.069 347 E CA 0.280 56.714 56.400 0.057 0.000 0.876 347 E CB -0.453 29.276 29.700 0.049 0.000 0.843 347 E HN 0.424 nan 8.360 nan 0.000 0.530 348 G N 1.514 110.334 108.800 0.033 0.000 2.587 348 G HA2 -0.274 3.699 3.960 0.022 0.000 0.217 348 G HA3 -0.274 3.699 3.960 0.022 0.000 0.217 348 G C 1.596 176.519 174.900 0.038 0.000 1.240 348 G CA 0.717 45.831 45.100 0.023 0.000 0.794 348 G HN 0.287 nan 8.290 nan 0.000 0.580 349 L N -0.049 121.207 121.223 0.055 0.000 2.089 349 L HA -0.211 4.142 4.340 0.022 0.000 0.213 349 L C 2.671 179.579 176.870 0.063 0.000 1.079 349 L CA 1.839 56.715 54.840 0.060 0.000 0.758 349 L CB -0.554 41.544 42.059 0.064 0.000 0.891 349 L HN 0.447 nan 8.230 nan 0.000 0.433 350 H N -0.103 118.972 119.070 0.008 0.000 2.428 350 H HA -0.069 4.500 4.556 0.022 0.000 0.296 350 H C 2.109 177.435 175.328 -0.003 0.000 1.062 350 H CA 1.315 57.364 56.048 0.003 0.000 1.350 350 H CB 0.153 29.913 29.762 -0.003 0.000 1.403 350 H HN 0.196 nan 8.280 nan 0.000 0.533 351 N N 0.432 119.040 118.700 -0.154 0.000 2.188 351 N HA -0.087 4.666 4.740 0.022 0.000 0.184 351 N C 1.976 177.398 175.510 -0.147 0.000 1.018 351 N CA 1.234 54.181 53.050 -0.171 0.000 0.858 351 N CB -0.594 37.852 38.487 -0.067 0.000 0.989 351 N HN 0.524 nan 8.380 nan 0.000 0.426 352 A N 1.028 123.806 122.820 -0.071 0.000 1.908 352 A HA -0.182 4.151 4.320 0.022 0.000 0.218 352 A C 2.230 179.794 177.584 -0.035 0.000 1.181 352 A CA 1.715 53.748 52.037 -0.007 0.000 0.627 352 A CB -0.467 18.563 19.000 0.051 0.000 0.818 352 A HN 0.219 nan 8.150 nan 0.000 0.445 353 K N -0.061 120.283 120.400 -0.092 0.000 2.009 353 K HA -0.159 4.174 4.320 0.022 0.000 0.210 353 K C 2.068 178.589 176.600 -0.131 0.000 1.049 353 K CA 1.857 58.087 56.287 -0.095 0.000 0.929 353 K CB -0.174 32.261 32.500 -0.109 0.000 0.714 353 K HN 0.549 nan 8.250 nan 0.000 0.440 354 E N 0.099 120.167 120.200 -0.220 0.000 2.051 354 E HA -0.189 4.174 4.350 0.022 0.000 0.192 354 E C 2.194 178.727 176.600 -0.111 0.000 0.991 354 E CA 1.472 57.768 56.400 -0.173 0.000 0.799 354 E CB -0.169 29.411 29.700 -0.200 0.000 0.748 354 E HN 0.371 nan 8.360 nan 0.000 0.449 355 I N 0.994 121.499 120.570 -0.108 0.000 2.179 355 I HA -0.287 3.896 4.170 0.022 0.000 0.242 355 I C 2.465 178.560 176.117 -0.036 0.000 1.088 355 I CA 0.994 62.239 61.300 -0.091 0.000 1.357 355 I CB -0.145 37.776 38.000 -0.131 0.000 1.051 355 I HN 0.070 nan 8.210 nan 0.000 0.409 356 L N -0.164 121.052 121.223 -0.011 0.000 2.109 356 L HA -0.167 4.186 4.340 0.022 0.000 0.207 356 L C 2.773 179.585 176.870 -0.096 0.000 1.086 356 L CA 1.657 56.484 54.840 -0.022 0.000 0.760 356 L CB -0.791 41.276 42.059 0.014 0.000 0.910 356 L HN 0.374 nan 8.230 nan 0.000 0.437 357 T N -0.994 113.512 114.554 -0.080 0.000 2.788 357 T HA -0.210 4.153 4.350 0.022 0.000 0.268 357 T C 1.986 176.642 174.700 -0.072 0.000 1.044 357 T CA 1.135 63.187 62.100 -0.080 0.000 1.139 357 T CB -0.140 68.692 68.868 -0.061 0.000 0.867 357 T HN 0.266 nan 8.240 nan 0.000 0.454 358 R N 0.280 120.743 120.500 -0.063 0.000 2.189 358 R HA 0.178 4.531 4.340 0.022 0.000 0.223 358 R C 2.217 178.487 176.300 -0.049 0.000 1.092 358 R CA 0.854 56.923 56.100 -0.052 0.000 0.989 358 R CB -0.383 29.887 30.300 -0.050 0.000 0.876 358 R HN 0.450 nan 8.270 nan 0.000 0.457 359 L N -0.481 120.708 121.223 -0.057 0.000 2.599 359 L HA 0.126 4.479 4.340 0.022 0.000 0.230 359 L C 1.317 178.127 176.870 -0.101 0.000 1.141 359 L CA 0.536 55.340 54.840 -0.061 0.000 0.877 359 L CB -0.050 41.986 42.059 -0.038 0.000 1.009 359 L HN 0.415 nan 8.230 nan 0.000 0.447 360 G N 0.241 108.977 108.800 -0.107 0.000 2.176 360 G HA2 -0.316 3.657 3.960 0.022 0.000 0.253 360 G HA3 -0.316 3.657 3.960 0.022 0.000 0.253 360 G C 0.864 175.673 174.900 -0.152 0.000 0.979 360 G CA 0.527 45.566 45.100 -0.102 0.000 0.641 360 G HN 0.324 nan 8.290 nan 0.000 0.530 361 V N -1.323 118.435 119.914 -0.260 0.000 3.573 361 V HA 0.442 4.575 4.120 0.022 0.000 0.270 361 V C 0.902 176.830 176.094 -0.277 0.000 1.221 361 V CA 1.430 63.492 62.300 -0.397 0.000 1.163 361 V CB -0.739 30.485 31.823 -0.998 0.000 0.847 361 V HN 0.660 nan 8.190 nan 0.000 0.468 362 E N 0.571 120.675 120.200 -0.160 0.000 2.210 362 E HA -0.138 4.225 4.350 0.022 0.000 0.201 362 E C -2.029 174.545 176.600 -0.044 0.000 1.339 362 E CA 0.440 56.793 56.400 -0.078 0.000 0.699 362 E CB -1.321 28.352 29.700 -0.044 0.000 1.126 362 E HN 0.713 nan 8.360 nan 0.000 0.355 363 P HA -0.002 nan 4.420 nan 0.000 0.271 363 P C 0.023 177.358 177.300 0.059 0.000 1.216 363 P CA 0.048 63.169 63.100 0.036 0.000 0.771 363 P CB 1.307 33.021 31.700 0.023 0.000 0.864 364 S N 1.500 117.256 115.700 0.093 0.000 2.707 364 S HA 0.221 4.704 4.470 0.022 0.000 0.276 364 S C 0.873 175.511 174.600 0.063 0.000 1.179 364 S CA -0.462 57.777 58.200 0.065 0.000 0.992 364 S CB 0.640 63.878 63.200 0.064 0.000 1.030 364 S HN 0.301 nan 8.310 nan 0.000 0.554 365 D N 0.734 121.162 120.400 0.047 0.000 2.144 365 D HA -0.079 4.574 4.640 0.022 0.000 0.199 365 D C 1.233 177.557 176.300 0.040 0.000 0.984 365 D CA 1.176 55.203 54.000 0.044 0.000 0.834 365 D CB -0.482 40.340 40.800 0.035 0.000 0.955 365 D HN 0.579 nan 8.370 nan 0.000 0.465 366 D N 0.929 121.348 120.400 0.032 0.000 2.133 366 D HA -0.141 4.512 4.640 0.022 0.000 0.195 366 D C 1.530 177.846 176.300 0.026 0.000 0.997 366 D CA 0.905 54.917 54.000 0.019 0.000 0.840 366 D CB -0.207 40.598 40.800 0.008 0.000 0.947 366 D HN 0.169 nan 8.370 nan 0.000 0.452 367 D N -0.395 120.041 120.400 0.059 0.000 2.144 367 D HA -0.100 4.553 4.640 0.022 0.000 0.199 367 D C 2.223 178.586 176.300 0.104 0.000 0.984 367 D CA 0.546 54.600 54.000 0.091 0.000 0.834 367 D CB -0.416 40.534 40.800 0.250 0.000 0.955 367 D HN 0.258 nan 8.370 nan 0.000 0.465 368 C N 0.148 119.506 119.300 0.098 0.000 2.422 368 C HA -0.038 4.435 4.460 0.022 0.000 0.279 368 C C 2.905 177.939 174.990 0.074 0.000 1.305 368 C CA 0.031 59.103 59.018 0.090 0.000 1.757 368 C CB -0.822 26.959 27.740 0.069 0.000 1.962 368 C HN 0.156 nan 8.230 nan 0.000 0.499 369 V N 0.695 120.641 119.914 0.053 0.000 2.488 369 V HA -0.140 3.993 4.120 0.022 0.000 0.246 369 V C 2.501 178.629 176.094 0.056 0.000 1.046 369 V CA 2.113 64.440 62.300 0.046 0.000 1.053 369 V CB -0.580 31.255 31.823 0.019 0.000 0.679 369 V HN 0.549 nan 8.190 nan 0.000 0.458 370 S N 0.014 115.732 115.700 0.030 0.000 2.359 370 S HA -0.182 4.301 4.470 0.022 0.000 0.224 370 S C 2.017 176.633 174.600 0.027 0.000 1.035 370 S CA 1.643 59.852 58.200 0.015 0.000 1.018 370 S CB -0.233 62.929 63.200 -0.063 0.000 0.876 370 S HN 0.379 nan 8.310 nan 0.000 0.448 371 V N 1.794 121.725 119.914 0.029 0.000 2.295 371 V HA -0.223 3.910 4.120 0.022 0.000 0.246 371 V C 2.570 178.715 176.094 0.085 0.000 1.049 371 V CA 1.977 64.301 62.300 0.039 0.000 1.024 371 V CB -0.740 31.149 31.823 0.110 0.000 0.648 371 V HN 0.495 nan 8.190 nan 0.000 0.447 372 Q N -0.683 119.185 119.800 0.113 0.000 2.112 372 Q HA -0.293 4.060 4.340 0.022 0.000 0.206 372 Q C 2.354 178.440 176.000 0.144 0.000 0.987 372 Q CA 2.158 58.037 55.803 0.127 0.000 0.858 372 Q CB -0.290 28.516 28.738 0.113 0.000 0.905 372 Q HN 0.794 nan 8.270 nan 0.000 0.420 373 H N -0.918 118.172 119.070 0.034 0.000 2.357 373 H HA -0.087 4.482 4.556 0.022 0.000 0.301 373 H C 1.961 177.304 175.328 0.025 0.000 1.082 373 H CA 1.438 57.505 56.048 0.032 0.000 1.342 373 H CB 0.361 30.133 29.762 0.016 0.000 1.389 373 H HN 0.190 nan 8.280 nan 0.000 0.511 374 V N 0.171 120.046 119.914 -0.065 0.000 2.407 374 V HA -0.286 3.847 4.120 0.022 0.000 0.248 374 V C 2.847 178.892 176.094 -0.082 0.000 1.055 374 V CA 1.429 63.647 62.300 -0.137 0.000 1.049 374 V CB -0.599 31.136 31.823 -0.147 0.000 0.662 374 V HN 0.607 nan 8.190 nan 0.000 0.455 375 C N -0.223 119.081 119.300 0.007 0.000 2.429 375 C HA -0.163 4.310 4.460 0.022 0.000 0.277 375 C C 3.220 178.263 174.990 0.087 0.000 1.262 375 C CA 1.786 60.855 59.018 0.085 0.000 1.733 375 C CB -1.200 26.645 27.740 0.175 0.000 2.010 375 C HN 0.728 nan 8.230 nan 0.000 0.483 376 T N 0.889 115.488 114.554 0.075 0.000 2.746 376 T HA -0.204 4.159 4.350 0.022 0.000 0.267 376 T C 1.698 176.439 174.700 0.069 0.000 1.039 376 T CA 1.911 64.075 62.100 0.107 0.000 1.142 376 T CB -0.555 68.406 68.868 0.156 0.000 0.866 376 T HN 0.617 nan 8.240 nan 0.000 0.444 377 I N 0.470 120.983 120.570 -0.094 0.000 2.226 377 I HA -0.056 4.127 4.170 0.022 0.000 0.245 377 I C 2.307 178.419 176.117 -0.008 0.000 1.100 377 I CA 1.360 62.611 61.300 -0.082 0.000 1.374 377 I CB -0.457 37.431 38.000 -0.187 0.000 1.057 377 I HN 0.152 nan 8.210 nan 0.000 0.413 378 V N 1.670 121.574 119.914 -0.016 0.000 2.295 378 V HA -0.266 3.867 4.120 0.022 0.000 0.246 378 V C 2.923 179.036 176.094 0.031 0.000 1.049 378 V CA 2.298 64.596 62.300 -0.003 0.000 1.024 378 V CB -0.962 30.854 31.823 -0.012 0.000 0.648 378 V HN 0.783 nan 8.190 nan 0.000 0.447 379 S N -0.909 114.819 115.700 0.046 0.000 2.428 379 S HA -0.121 4.362 4.470 0.022 0.000 0.230 379 S C 1.952 176.544 174.600 -0.014 0.000 1.014 379 S CA 0.999 59.209 58.200 0.017 0.000 0.957 379 S CB -0.496 62.647 63.200 -0.094 0.000 0.784 379 S HN 0.429 nan 8.310 nan 0.000 0.499 380 F N 2.855 122.738 119.950 -0.112 0.000 2.234 380 F HA 0.317 4.857 4.527 0.022 0.000 0.296 380 F C 2.555 178.267 175.800 -0.146 0.000 1.089 380 F CA 0.364 58.275 58.000 -0.149 0.000 1.343 380 F CB -0.636 38.308 39.000 -0.092 0.000 1.040 380 F HN 0.172 nan 8.300 nan 0.000 0.498 381 R N -0.507 120.072 120.500 0.131 0.000 2.105 381 R HA -0.178 4.175 4.340 0.022 0.000 0.239 381 R C 2.556 178.852 176.300 -0.006 0.000 1.135 381 R CA 1.659 57.774 56.100 0.025 0.000 0.967 381 R CB -0.585 29.703 30.300 -0.021 0.000 0.861 381 R HN 0.313 nan 8.270 nan 0.000 0.442 382 S N -0.259 115.433 115.700 -0.013 0.000 2.348 382 S HA -0.129 4.354 4.470 0.022 0.000 0.221 382 S C 2.017 176.574 174.600 -0.073 0.000 1.033 382 S CA 1.298 59.486 58.200 -0.019 0.000 1.010 382 S CB -0.263 63.011 63.200 0.123 0.000 0.891 382 S HN 0.528 nan 8.310 nan 0.000 0.442 383 A N 1.412 124.032 122.820 -0.333 0.000 1.902 383 A HA -0.112 4.221 4.320 0.022 0.000 0.217 383 A C 1.969 179.536 177.584 -0.028 0.000 1.181 383 A CA 1.825 53.542 52.037 -0.534 0.000 0.623 383 A CB -1.190 17.178 19.000 -1.054 0.000 0.818 383 A HN 0.781 nan 8.150 nan 0.000 0.443 384 N N -0.132 118.606 118.700 0.064 0.000 2.043 384 N HA -0.129 4.623 4.740 0.022 0.000 0.193 384 N C 1.668 177.232 175.510 0.090 0.000 1.037 384 N CA 1.400 54.515 53.050 0.109 0.000 0.851 384 N CB -0.346 38.189 38.487 0.081 0.000 1.027 384 N HN 0.429 nan 8.380 nan 0.000 0.422 385 L N 0.862 122.118 121.223 0.055 0.000 1.997 385 L HA -0.222 4.131 4.340 0.022 0.000 0.216 385 L C 2.443 179.391 176.870 0.129 0.000 1.074 385 L CA 1.348 56.245 54.840 0.096 0.000 0.763 385 L CB -0.912 41.134 42.059 -0.020 0.000 0.890 385 L HN 0.213 nan 8.230 nan 0.000 0.434 386 V N -2.921 117.043 119.914 0.084 0.000 2.594 386 V HA -0.161 3.972 4.120 0.022 0.000 0.253 386 V C 2.505 178.785 176.094 0.311 0.000 1.069 386 V CA 1.448 63.797 62.300 0.081 0.000 1.082 386 V CB -1.322 30.543 31.823 0.069 0.000 0.680 386 V HN 0.371 nan 8.190 nan 0.000 0.469 387 A N 0.849 123.901 122.820 0.386 0.000 1.898 387 A HA 0.144 4.477 4.320 0.022 0.000 0.216 387 A C 2.499 180.163 177.584 0.132 0.000 1.181 387 A CA 2.044 54.253 52.037 0.287 0.000 0.620 387 A CB -0.990 18.111 19.000 0.169 0.000 0.819 387 A HN 0.831 nan 8.150 nan 0.000 0.442 388 A N -0.108 122.757 122.820 0.076 0.000 1.877 388 A HA -0.129 4.204 4.320 0.022 0.000 0.216 388 A C 2.457 180.005 177.584 -0.060 0.000 1.186 388 A CA 2.682 54.734 52.037 0.025 0.000 0.620 388 A CB -1.392 17.631 19.000 0.039 0.000 0.822 388 A HN 0.732 nan 8.150 nan 0.000 0.443 389 T N -2.078 112.315 114.554 -0.268 0.000 2.857 389 T HA 0.010 4.373 4.350 0.022 0.000 0.266 389 T C 1.878 176.495 174.700 -0.139 0.000 1.048 389 T CA 1.066 62.789 62.100 -0.629 0.000 1.139 389 T CB -0.410 67.425 68.868 -1.722 0.000 0.874 389 T HN 0.232 nan 8.240 nan 0.000 0.455 390 L N 1.422 122.716 121.223 0.119 0.000 2.046 390 L HA 0.048 4.401 4.340 0.022 0.000 0.208 390 L C 2.795 179.773 176.870 0.181 0.000 1.077 390 L CA 2.071 57.119 54.840 0.345 0.000 0.747 390 L CB -1.379 40.961 42.059 0.468 0.000 0.896 390 L HN 0.502 nan 8.230 nan 0.000 0.432 391 G N -0.590 108.283 108.800 0.122 0.000 2.469 391 G HA2 -0.340 3.633 3.960 0.022 0.000 0.220 391 G HA3 -0.340 3.633 3.960 0.022 0.000 0.220 391 G C 1.626 176.566 174.900 0.067 0.000 1.136 391 G CA 0.961 46.107 45.100 0.077 0.000 0.759 391 G HN 0.587 nan 8.290 nan 0.000 0.562 392 A N 0.512 123.392 122.820 0.100 0.000 1.897 392 A HA 0.183 4.516 4.320 0.022 0.000 0.215 392 A C 2.380 179.992 177.584 0.047 0.000 1.181 392 A CA 1.023 53.125 52.037 0.109 0.000 0.620 392 A CB -0.251 18.902 19.000 0.255 0.000 0.821 392 A HN 0.361 nan 8.150 nan 0.000 0.443 393 I N -0.252 120.361 120.570 0.072 0.000 2.394 393 I HA -0.233 3.950 4.170 0.022 0.000 0.251 393 I C 2.245 178.277 176.117 -0.143 0.000 1.136 393 I CA 0.947 62.160 61.300 -0.146 0.000 1.425 393 I CB -0.251 37.687 38.000 -0.104 0.000 1.079 393 I HN 0.299 nan 8.210 nan 0.000 0.425 394 L N 0.219 121.425 121.223 -0.029 0.000 2.072 394 L HA -0.162 4.191 4.340 0.022 0.000 0.205 394 L C 2.238 179.095 176.870 -0.022 0.000 1.079 394 L CA 1.037 55.865 54.840 -0.019 0.000 0.752 394 L CB -0.693 41.369 42.059 0.005 0.000 0.906 394 L HN 0.277 nan 8.230 nan 0.000 0.436 395 N N 0.375 119.066 118.700 -0.016 0.000 2.223 395 N HA -0.206 4.547 4.740 0.022 0.000 0.185 395 N C 1.896 177.391 175.510 -0.025 0.000 1.016 395 N CA 1.174 54.216 53.050 -0.014 0.000 0.863 395 N CB -0.288 38.193 38.487 -0.009 0.000 0.983 395 N HN 0.280 nan 8.380 nan 0.000 0.429 396 R N 1.342 121.808 120.500 -0.055 0.000 2.066 396 R HA 0.066 4.419 4.340 0.022 0.000 0.232 396 R C 2.155 178.453 176.300 -0.003 0.000 1.131 396 R CA 0.998 57.066 56.100 -0.055 0.000 0.955 396 R CB -0.884 29.341 30.300 -0.125 0.000 0.851 396 R HN 0.140 nan 8.270 nan 0.000 0.432 397 L N 0.482 121.699 121.223 -0.011 0.000 2.013 397 L HA -0.195 4.158 4.340 0.022 0.000 0.212 397 L C 2.963 179.854 176.870 0.036 0.000 1.073 397 L CA 2.113 56.978 54.840 0.042 0.000 0.753 397 L CB -0.494 41.584 42.059 0.032 0.000 0.890 397 L HN 0.369 nan 8.230 nan 0.000 0.432 398 R N 0.103 120.613 120.500 0.016 0.000 2.081 398 R HA -0.175 4.178 4.340 0.022 0.000 0.235 398 R C 1.779 178.092 176.300 0.022 0.000 1.131 398 R CA 1.882 57.992 56.100 0.016 0.000 0.960 398 R CB -0.174 30.130 30.300 0.007 0.000 0.856 398 R HN 0.432 nan 8.270 nan 0.000 0.436 399 D N -0.204 120.207 120.400 0.019 0.000 2.269 399 D HA -0.105 4.548 4.640 0.022 0.000 0.208 399 D C 1.113 177.442 176.300 0.049 0.000 0.963 399 D CA 1.048 55.062 54.000 0.023 0.000 0.864 399 D CB -0.160 40.644 40.800 0.006 0.000 0.936 399 D HN 0.505 nan 8.370 nan 0.000 0.505 400 N N 0.732 119.476 118.700 0.072 0.000 2.300 400 N HA -0.068 4.685 4.740 0.022 0.000 0.179 400 N C 1.688 177.238 175.510 0.066 0.000 1.016 400 N CA 0.453 53.566 53.050 0.104 0.000 0.876 400 N CB 0.267 38.840 38.487 0.144 0.000 0.979 400 N HN 0.080 nan 8.380 nan 0.000 0.432 401 K N 0.263 120.692 120.400 0.049 0.000 2.155 401 K HA 0.031 4.364 4.320 0.022 0.000 0.203 401 K C 1.369 177.986 176.600 0.029 0.000 1.052 401 K CA 1.094 57.402 56.287 0.035 0.000 0.948 401 K CB -0.211 32.307 32.500 0.030 0.000 0.728 401 K HN 0.287 nan 8.250 nan 0.000 0.448 402 G N 2.316 111.133 108.800 0.029 0.000 2.143 402 G HA2 -0.285 3.688 3.960 0.022 0.000 0.249 402 G HA3 -0.285 3.688 3.960 0.022 0.000 0.249 402 G C 0.386 175.296 174.900 0.016 0.000 0.981 402 G CA 0.829 45.942 45.100 0.022 0.000 0.665 402 G HN 0.541 nan 8.290 nan 0.000 0.528 403 T N -2.507 112.056 114.554 0.015 0.000 2.862 403 T HA 0.711 5.073 4.350 0.022 0.000 0.276 403 T C -0.702 174.004 174.700 0.009 0.000 0.974 403 T CA -0.675 61.432 62.100 0.012 0.000 0.966 403 T CB 2.198 71.073 68.868 0.012 0.000 1.072 403 T HN -0.061 nan 8.240 nan 0.000 0.538 404 P HA 0.231 nan 4.420 nan 0.000 0.226 404 P C 0.408 177.710 177.300 0.003 0.000 1.161 404 P CA 0.432 63.534 63.100 0.004 0.000 0.804 404 P CB 0.385 32.087 31.700 0.004 0.000 0.829 405 R N -0.404 120.098 120.500 0.003 0.000 2.888 405 R HA 0.671 5.024 4.340 0.022 0.000 0.266 405 R C -0.938 175.363 176.300 0.001 0.000 1.020 405 R CA -0.967 55.133 56.100 -0.001 0.000 0.963 405 R CB 2.008 32.306 30.300 -0.003 0.000 1.197 405 R HN -0.021 nan 8.270 nan 0.000 0.481 406 L N 0.125 121.346 121.223 -0.004 0.000 2.354 406 L HA 0.609 4.962 4.340 0.022 0.000 0.264 406 L C -0.932 175.930 176.870 -0.014 0.000 1.008 406 L CA -0.582 54.258 54.840 -0.001 0.000 0.819 406 L CB 2.044 44.102 42.059 -0.001 0.000 1.339 406 L HN 0.594 nan 8.230 nan 0.000 0.420 407 R N 2.479 122.974 120.500 -0.009 0.000 2.439 407 R HA 0.736 5.089 4.340 0.022 0.000 0.310 407 R C -1.521 174.773 176.300 -0.010 0.000 0.955 407 R CA -0.188 55.893 56.100 -0.032 0.000 0.853 407 R CB 1.635 31.911 30.300 -0.041 0.000 1.171 407 R HN 0.853 nan 8.270 nan 0.000 0.449 408 T N 1.781 116.303 114.554 -0.054 0.000 2.889 408 T HA 0.340 4.703 4.350 0.022 0.000 0.315 408 T C -1.256 173.387 174.700 -0.096 0.000 1.291 408 T CA -0.344 61.736 62.100 -0.032 0.000 1.028 408 T CB 1.848 70.701 68.868 -0.026 0.000 1.235 408 T HN 0.558 nan 8.240 nan 0.000 0.491 409 T N 2.705 117.231 114.554 -0.047 0.000 2.795 409 T HA 0.584 4.947 4.350 0.022 0.000 0.282 409 T C -0.384 174.263 174.700 -0.088 0.000 0.980 409 T CA -0.440 61.608 62.100 -0.088 0.000 1.012 409 T CB 1.095 69.962 68.868 -0.001 0.000 0.936 409 T HN 0.442 nan 8.240 nan 0.000 0.457 410 V N 3.022 122.841 119.914 -0.158 0.000 2.370 410 V HA 0.592 4.725 4.120 0.022 0.000 0.279 410 V C 0.896 177.013 176.094 0.039 0.000 1.029 410 V CA -0.857 61.414 62.300 -0.048 0.000 0.870 410 V CB 1.414 33.206 31.823 -0.051 0.000 0.984 410 V HN 1.024 nan 8.190 nan 0.000 0.451 411 G N 3.750 112.580 108.800 0.050 0.000 2.370 411 G HA2 0.541 4.514 3.960 0.022 0.000 0.272 411 G HA3 0.541 4.514 3.960 0.022 0.000 0.272 411 G C -0.834 174.092 174.900 0.044 0.000 1.208 411 G CA -0.198 44.937 45.100 0.059 0.000 0.856 411 G HN 0.564 nan 8.290 nan 0.000 0.500 412 V N 2.682 122.615 119.914 0.032 0.000 2.709 412 V HA 0.568 4.701 4.120 0.022 0.000 0.308 412 V C -0.889 175.151 176.094 -0.090 0.000 1.062 412 V CA -0.711 61.535 62.300 -0.090 0.000 0.901 412 V CB 2.111 33.768 31.823 -0.278 0.000 1.003 412 V HN 0.835 nan 8.190 nan 0.000 0.425 413 D N 1.323 121.646 120.400 -0.128 0.000 2.626 413 D HA 0.792 5.445 4.640 0.022 0.000 0.278 413 D C -0.383 175.878 176.300 -0.066 0.000 1.211 413 D CA 0.649 54.616 54.000 -0.055 0.000 0.903 413 D CB 2.456 43.246 40.800 -0.017 0.000 1.408 413 D HN 1.092 nan 8.370 nan 0.000 0.454 414 G N -0.038 108.754 108.800 -0.013 0.000 3.101 414 G HA2 0.034 4.007 3.960 0.022 0.000 0.672 414 G HA3 0.034 4.007 3.960 0.022 0.000 0.672 414 G C 0.609 175.515 174.900 0.010 0.000 1.331 414 G CA 0.224 45.312 45.100 -0.020 0.000 0.925 414 G HN 0.307 nan 8.290 nan 0.000 0.596 415 S N 0.846 116.538 115.700 -0.013 0.000 2.372 415 S HA -0.226 4.257 4.470 0.022 0.000 0.227 415 S C 2.559 177.134 174.600 -0.042 0.000 1.044 415 S CA 2.027 60.217 58.200 -0.017 0.000 1.050 415 S CB -0.243 62.940 63.200 -0.028 0.000 0.901 415 S HN 1.288 nan 8.310 nan 0.000 0.447 416 L N 0.720 121.884 121.223 -0.099 0.000 2.017 416 L HA -0.097 4.256 4.340 0.022 0.000 0.208 416 L C 2.064 178.796 176.870 -0.229 0.000 1.073 416 L CA 1.839 56.564 54.840 -0.192 0.000 0.745 416 L CB -1.010 40.855 42.059 -0.324 0.000 0.894 416 L HN 0.353 nan 8.230 nan 0.000 0.432 417 Y N 0.396 120.485 120.300 -0.352 0.000 2.165 417 Y HA -0.267 4.296 4.550 0.023 0.000 0.286 417 Y C 2.408 178.253 175.900 -0.091 0.000 1.155 417 Y CA 2.200 60.146 58.100 -0.257 0.000 1.164 417 Y CB -0.102 38.257 38.460 -0.168 0.000 0.978 417 Y HN 0.206 nan 8.280 nan 0.000 0.513 418 K N -1.013 119.423 120.400 0.060 0.000 2.031 418 K HA -0.103 4.230 4.320 0.022 0.000 0.205 418 K C 2.041 178.618 176.600 -0.038 0.000 1.049 418 K CA 1.897 58.199 56.287 0.024 0.000 0.939 418 K CB -0.353 32.191 32.500 0.072 0.000 0.717 418 K HN 0.496 nan 8.250 nan 0.000 0.438 419 T N -2.494 112.040 114.554 -0.032 0.000 3.051 419 T HA -0.039 4.324 4.350 0.022 0.000 0.255 419 T C 0.712 175.396 174.700 -0.026 0.000 1.085 419 T CA -0.028 62.053 62.100 -0.032 0.000 1.109 419 T CB -0.279 68.572 68.868 -0.028 0.000 0.921 419 T HN 0.173 nan 8.240 nan 0.000 0.488 420 H N 3.450 122.448 119.070 -0.120 0.000 2.764 420 H HA 0.264 4.833 4.556 0.022 0.000 0.341 420 H C -1.278 174.002 175.328 -0.080 0.000 1.072 420 H CA -1.544 54.452 56.048 -0.087 0.000 1.444 420 H CB 1.297 31.010 29.762 -0.081 0.000 1.458 420 H HN -0.085 nan 8.280 nan 0.000 0.572 421 P HA -0.133 nan 4.420 nan 0.000 0.221 421 P C 0.337 177.584 177.300 -0.089 0.000 1.150 421 P CA 1.071 64.063 63.100 -0.180 0.000 0.800 421 P CB 0.585 32.152 31.700 -0.223 0.000 0.787 422 Q N -2.605 117.205 119.800 0.017 0.000 2.322 422 Q HA 0.065 4.418 4.340 0.022 0.000 0.250 422 Q C 1.981 178.014 176.000 0.055 0.000 0.853 422 Q CA 0.048 55.879 55.803 0.046 0.000 0.951 422 Q CB -0.738 28.029 28.738 0.048 0.000 1.114 422 Q HN 0.237 nan 8.270 nan 0.000 0.523 423 Y N 3.190 123.541 120.300 0.085 0.000 2.036 423 Y HA -0.329 4.234 4.550 0.021 0.000 0.273 423 Y C 2.667 178.398 175.900 -0.283 0.000 1.135 423 Y CA 2.737 60.711 58.100 -0.211 0.000 1.106 423 Y CB -0.351 37.924 38.460 -0.309 0.000 0.976 423 Y HN 0.213 nan 8.280 nan 0.000 0.483 424 S N 0.425 116.053 115.700 -0.121 0.000 2.392 424 S HA -0.364 4.119 4.470 0.022 0.000 0.232 424 S C 2.160 176.372 174.600 -0.647 0.000 1.041 424 S CA 1.685 59.571 58.200 -0.524 0.000 1.026 424 S CB -0.852 61.754 63.200 -0.989 0.000 0.845 424 S HN 0.612 nan 8.310 nan 0.000 0.465 425 R N 1.747 122.036 120.500 -0.352 0.000 2.070 425 R HA -0.053 4.300 4.340 0.022 0.000 0.233 425 R C 2.633 178.805 176.300 -0.213 0.000 1.137 425 R CA 1.556 57.522 56.100 -0.223 0.000 0.945 425 R CB -0.216 30.010 30.300 -0.122 0.000 0.845 425 R HN 0.526 nan 8.270 nan 0.000 0.430 426 R N -0.531 119.797 120.500 -0.288 0.000 2.115 426 R HA -0.099 4.254 4.340 0.022 0.000 0.226 426 R C 2.269 178.454 176.300 -0.191 0.000 1.100 426 R CA 1.188 57.095 56.100 -0.322 0.000 0.980 426 R CB -0.619 29.193 30.300 -0.812 0.000 0.875 426 R HN 0.225 nan 8.270 nan 0.000 0.445 427 F N 2.047 121.752 119.950 -0.409 0.000 2.046 427 F HA -0.237 4.302 4.527 0.021 0.000 0.297 427 F C 1.974 177.710 175.800 -0.105 0.000 1.123 427 F CA 1.691 59.526 58.000 -0.276 0.000 1.199 427 F CB -0.643 38.181 39.000 -0.294 0.000 0.972 427 F HN 0.037 nan 8.300 nan 0.000 0.474 428 H N -0.874 117.910 119.070 -0.477 0.000 2.421 428 H HA -0.139 4.430 4.556 0.022 0.000 0.298 428 H C 2.200 177.372 175.328 -0.259 0.000 1.087 428 H CA 1.192 56.870 56.048 -0.616 0.000 1.330 428 H CB -0.014 29.469 29.762 -0.465 0.000 1.388 428 H HN 0.287 nan 8.280 nan 0.000 0.526 429 K N 0.363 120.739 120.400 -0.041 0.000 2.021 429 K HA -0.073 4.260 4.320 0.022 0.000 0.205 429 K C 2.075 178.678 176.600 0.005 0.000 1.047 429 K CA 1.527 57.816 56.287 0.003 0.000 0.943 429 K CB 0.192 32.700 32.500 0.013 0.000 0.725 429 K HN 0.058 nan 8.250 nan 0.000 0.439 430 T N 2.029 116.588 114.554 0.009 0.000 2.833 430 T HA -0.148 4.215 4.350 0.022 0.000 0.269 430 T C 1.654 176.354 174.700 0.002 0.000 1.054 430 T CA 1.212 63.334 62.100 0.038 0.000 1.135 430 T CB -0.201 68.723 68.868 0.092 0.000 0.869 430 T HN 0.153 nan 8.240 nan 0.000 0.466 431 L N 1.417 122.597 121.223 -0.072 0.000 1.989 431 L HA -0.069 4.284 4.340 0.022 0.000 0.211 431 L C 2.495 179.369 176.870 0.007 0.000 1.071 431 L CA 1.780 56.585 54.840 -0.060 0.000 0.749 431 L CB -0.388 41.564 42.059 -0.180 0.000 0.890 431 L HN 0.034 nan 8.230 nan 0.000 0.431 432 R N -0.841 119.671 120.500 0.020 0.000 2.127 432 R HA -0.180 4.172 4.340 0.022 0.000 0.238 432 R C 2.439 178.754 176.300 0.024 0.000 1.134 432 R CA 1.630 57.751 56.100 0.035 0.000 0.975 432 R CB -0.462 29.868 30.300 0.050 0.000 0.865 432 R HN 0.421 nan 8.270 nan 0.000 0.447 433 R N 0.305 120.818 120.500 0.022 0.000 2.193 433 R HA -0.048 4.305 4.340 0.022 0.000 0.213 433 R C 1.403 177.714 176.300 0.019 0.000 1.055 433 R CA 0.725 56.837 56.100 0.021 0.000 0.995 433 R CB 0.147 30.461 30.300 0.024 0.000 0.893 433 R HN 0.089 nan 8.270 nan 0.000 0.459 434 L N 0.301 121.537 121.223 0.020 0.000 2.270 434 L HA 0.104 4.457 4.340 0.022 0.000 0.210 434 L C 0.458 177.339 176.870 0.019 0.000 1.104 434 L CA 1.027 55.880 54.840 0.021 0.000 0.804 434 L CB 0.560 42.635 42.059 0.028 0.000 0.937 434 L HN -0.046 nan 8.230 nan 0.000 0.450 435 V N 1.713 121.638 119.914 0.019 0.000 2.361 435 V HA 0.210 4.343 4.120 0.022 0.000 0.252 435 V C -1.486 174.615 176.094 0.010 0.000 0.986 435 V CA -0.632 61.677 62.300 0.015 0.000 1.033 435 V CB 0.962 32.796 31.823 0.018 0.000 1.282 435 V HN 0.098 nan 8.190 nan 0.000 0.514 436 P HA -0.093 nan 4.420 nan 0.000 0.225 436 P C 0.518 177.820 177.300 0.003 0.000 1.148 436 P CA 1.049 64.154 63.100 0.007 0.000 0.779 436 P CB 0.189 31.893 31.700 0.008 0.000 0.780 437 D N -2.026 118.375 120.400 0.001 0.000 2.342 437 D HA 0.105 4.758 4.640 0.022 0.000 0.221 437 D C 0.223 176.520 176.300 -0.006 0.000 1.101 437 D CA -0.104 53.895 54.000 -0.001 0.000 0.837 437 D CB -0.236 40.564 40.800 0.000 0.000 0.938 437 D HN -0.080 nan 8.370 nan 0.000 0.508 438 S N 0.336 116.031 115.700 -0.009 0.000 2.472 438 S HA 0.291 4.774 4.470 0.022 0.000 0.303 438 S C -1.058 173.524 174.600 -0.031 0.000 1.099 438 S CA -0.844 57.344 58.200 -0.020 0.000 1.077 438 S CB 1.177 64.364 63.200 -0.021 0.000 1.031 438 S HN 0.047 nan 8.310 nan 0.000 0.487 439 D N 2.987 123.360 120.400 -0.046 0.000 2.460 439 D HA 0.333 4.986 4.640 0.022 0.000 0.232 439 D C -0.676 175.562 176.300 -0.105 0.000 1.079 439 D CA -0.136 53.828 54.000 -0.061 0.000 0.864 439 D CB 1.454 42.221 40.800 -0.056 0.000 1.048 439 D HN 0.164 nan 8.370 nan 0.000 0.523 440 V N 2.135 121.966 119.914 -0.139 0.000 2.547 440 V HA 0.442 4.575 4.120 0.022 0.000 0.299 440 V C 0.427 176.327 176.094 -0.323 0.000 1.040 440 V CA -0.946 61.183 62.300 -0.285 0.000 0.913 440 V CB 2.408 33.975 31.823 -0.426 0.000 0.992 440 V HN 0.363 nan 8.190 nan 0.000 0.449 441 R N 2.718 122.998 120.500 -0.367 0.000 2.460 441 R HA 0.584 4.937 4.340 0.022 0.000 0.303 441 R C -1.723 174.299 176.300 -0.463 0.000 0.968 441 R CA -0.533 55.397 56.100 -0.284 0.000 0.889 441 R CB 1.090 31.307 30.300 -0.138 0.000 1.123 441 R HN 0.553 nan 8.270 nan 0.000 0.455 442 F N 4.938 124.838 119.950 -0.083 0.000 2.385 442 F HA 0.321 4.862 4.527 0.023 0.000 0.360 442 F C -0.304 175.535 175.800 0.065 0.000 1.122 442 F CA -0.910 57.080 58.000 -0.016 0.000 1.090 442 F CB 1.451 40.393 39.000 -0.097 0.000 1.150 442 F HN 0.247 nan 8.300 nan 0.000 0.472 443 L N 5.814 127.157 121.223 0.201 0.000 2.298 443 L HA 0.453 4.806 4.340 0.022 0.000 0.284 443 L C -1.033 175.953 176.870 0.193 0.000 1.013 443 L CA -0.872 54.070 54.840 0.169 0.000 0.824 443 L CB 1.063 43.184 42.059 0.103 0.000 1.221 443 L HN 0.459 nan 8.230 nan 0.000 0.418 444 L N 4.647 126.002 121.223 0.219 0.000 2.369 444 L HA 0.192 4.545 4.340 0.022 0.000 0.279 444 L C 0.549 177.502 176.870 0.138 0.000 1.108 444 L CA 0.434 55.404 54.840 0.217 0.000 0.852 444 L CB 0.889 43.104 42.059 0.261 0.000 1.169 444 L HN 0.886 nan 8.230 nan 0.000 0.452 445 S N 4.756 120.516 115.700 0.101 0.000 3.570 445 S HA -0.001 4.482 4.470 0.022 0.000 0.259 445 S C 1.358 175.999 174.600 0.068 0.000 1.150 445 S CA -0.353 57.889 58.200 0.070 0.000 1.139 445 S CB -0.329 62.897 63.200 0.043 0.000 1.624 445 S HN 0.668 nan 8.310 nan 0.000 0.525 446 E N 1.990 122.235 120.200 0.075 0.000 2.136 446 E HA -0.167 4.196 4.350 0.022 0.000 0.202 446 E C 1.321 177.948 176.600 0.045 0.000 1.019 446 E CA 1.623 58.062 56.400 0.065 0.000 0.819 446 E CB -0.340 29.398 29.700 0.062 0.000 0.739 446 E HN 0.781 nan 8.360 nan 0.000 0.458 447 S N -0.489 115.231 115.700 0.033 0.000 2.457 447 S HA 0.510 4.993 4.470 0.022 0.000 0.237 447 S C 0.428 175.035 174.600 0.011 0.000 1.213 447 S CA 0.104 58.315 58.200 0.018 0.000 1.218 447 S CB 0.605 63.810 63.200 0.008 0.000 0.922 447 S HN 0.420 nan 8.310 nan 0.000 0.488 448 G N 1.608 110.417 108.800 0.016 0.000 2.685 448 G HA2 -0.157 3.816 3.960 0.022 0.000 0.387 448 G HA3 -0.157 3.816 3.960 0.022 0.000 0.387 448 G C 0.327 175.229 174.900 0.003 0.000 1.324 448 G CA -0.211 44.895 45.100 0.011 0.000 0.878 448 G HN 1.440 nan 8.290 nan 0.000 0.527 449 S N -0.808 114.893 115.700 0.002 0.000 2.540 449 S HA 0.392 4.875 4.470 0.022 0.000 0.218 449 S C 2.142 176.734 174.600 -0.012 0.000 0.977 449 S CA 1.051 59.247 58.200 -0.006 0.000 0.918 449 S CB 0.787 63.983 63.200 -0.006 0.000 0.806 449 S HN 1.994 nan 8.310 nan 0.000 0.496 450 G N 2.290 111.082 108.800 -0.013 0.000 2.403 450 G HA2 -0.118 3.855 3.960 0.022 0.000 0.216 450 G HA3 -0.118 3.855 3.960 0.022 0.000 0.216 450 G C 1.369 176.233 174.900 -0.060 0.000 1.154 450 G CA 0.627 45.712 45.100 -0.024 0.000 0.784 450 G HN 0.525 nan 8.290 nan 0.000 0.538 451 K N 0.077 120.430 120.400 -0.078 0.000 2.020 451 K HA -0.084 4.249 4.320 0.022 0.000 0.212 451 K C 2.663 179.183 176.600 -0.133 0.000 1.050 451 K CA 1.536 57.739 56.287 -0.140 0.000 0.929 451 K CB -0.556 31.840 32.500 -0.174 0.000 0.714 451 K HN 0.240 nan 8.250 nan 0.000 0.443 452 G N 0.167 108.922 108.800 -0.075 0.000 2.433 452 G HA2 -0.271 3.702 3.960 0.022 0.000 0.216 452 G HA3 -0.271 3.702 3.960 0.022 0.000 0.216 452 G C 1.563 176.427 174.900 -0.060 0.000 1.186 452 G CA 1.015 46.088 45.100 -0.045 0.000 0.779 452 G HN 0.448 nan 8.290 nan 0.000 0.543 453 A N 1.403 124.191 122.820 -0.053 0.000 1.892 453 A HA 0.080 4.413 4.320 0.022 0.000 0.218 453 A C 2.853 180.360 177.584 -0.128 0.000 1.188 453 A CA 2.779 54.784 52.037 -0.054 0.000 0.631 453 A CB -1.041 17.952 19.000 -0.013 0.000 0.822 453 A HN 1.000 nan 8.150 nan 0.000 0.447 454 A N -1.328 121.387 122.820 -0.176 0.000 1.948 454 A HA -0.181 4.152 4.320 0.022 0.000 0.220 454 A C 2.138 179.442 177.584 -0.466 0.000 1.177 454 A CA 2.173 53.992 52.037 -0.364 0.000 0.636 454 A CB -0.479 18.349 19.000 -0.288 0.000 0.815 454 A HN 0.456 nan 8.150 nan 0.000 0.449 455 M N -0.694 118.761 119.600 -0.242 0.000 2.175 455 M HA -0.058 4.435 4.480 0.022 0.000 0.264 455 M C 2.202 178.431 176.300 -0.118 0.000 1.063 455 M CA 1.090 56.305 55.300 -0.140 0.000 1.119 455 M CB -1.411 31.189 32.600 -0.001 0.000 1.377 455 M HN 0.236 nan 8.290 nan 0.000 0.415 456 V N 0.121 119.975 119.914 -0.101 0.000 2.295 456 V HA -0.250 3.883 4.120 0.022 0.000 0.246 456 V C 2.336 178.379 176.094 -0.085 0.000 1.049 456 V CA 2.162 64.425 62.300 -0.061 0.000 1.024 456 V CB -1.299 30.505 31.823 -0.032 0.000 0.648 456 V HN 0.440 nan 8.190 nan 0.000 0.447 457 T N 0.294 114.744 114.554 -0.172 0.000 2.849 457 T HA -0.172 4.191 4.350 0.022 0.000 0.270 457 T C 1.916 176.534 174.700 -0.137 0.000 1.066 457 T CA 1.557 63.559 62.100 -0.163 0.000 1.130 457 T CB -0.332 68.366 68.868 -0.284 0.000 0.864 457 T HN 0.584 nan 8.240 nan 0.000 0.481 458 A N 0.734 123.375 122.820 -0.299 0.000 1.903 458 A HA 0.096 4.429 4.320 0.022 0.000 0.213 458 A C 2.564 180.233 177.584 0.140 0.000 1.185 458 A CA 1.135 53.155 52.037 -0.028 0.000 0.628 458 A CB -0.892 18.060 19.000 -0.079 0.000 0.830 458 A HN 0.381 nan 8.150 nan 0.000 0.446 459 V N -0.270 119.675 119.914 0.052 0.000 2.358 459 V HA -0.084 4.049 4.120 0.022 0.000 0.246 459 V C 2.502 178.621 176.094 0.041 0.000 1.047 459 V CA 2.343 64.676 62.300 0.056 0.000 1.035 459 V CB -0.812 31.032 31.823 0.035 0.000 0.658 459 V HN 0.533 nan 8.190 nan 0.000 0.452 460 A N -1.109 121.734 122.820 0.038 0.000 1.972 460 A HA -0.191 4.142 4.320 0.022 0.000 0.219 460 A C 2.142 179.744 177.584 0.030 0.000 1.169 460 A CA 1.958 54.005 52.037 0.016 0.000 0.635 460 A CB -0.930 18.090 19.000 0.034 0.000 0.810 460 A HN 0.851 nan 8.150 nan 0.000 0.446 461 Y N 0.392 120.703 120.300 0.019 0.000 2.163 461 Y HA -0.173 4.389 4.550 0.019 0.000 0.288 461 Y C 2.492 178.395 175.900 0.005 0.000 1.136 461 Y CA 2.081 60.208 58.100 0.046 0.000 1.147 461 Y CB -0.378 38.182 38.460 0.166 0.000 0.987 461 Y HN 0.322 nan 8.280 nan 0.000 0.509 462 R N -0.417 120.044 120.500 -0.065 0.000 2.081 462 R HA -0.160 4.193 4.340 0.022 0.000 0.235 462 R C 1.858 178.030 176.300 -0.212 0.000 1.131 462 R CA 1.739 57.770 56.100 -0.115 0.000 0.960 462 R CB -0.422 29.906 30.300 0.047 0.000 0.856 462 R HN 0.355 nan 8.270 nan 0.000 0.436 463 L N 0.494 121.580 121.223 -0.228 0.000 2.141 463 L HA -0.018 4.335 4.340 0.022 0.000 0.209 463 L C 2.398 178.844 176.870 -0.707 0.000 1.094 463 L CA 1.964 56.566 54.840 -0.397 0.000 0.763 463 L CB -0.877 40.978 42.059 -0.340 0.000 0.908 463 L HN 0.319 nan 8.230 nan 0.000 0.437 464 A N -1.544 120.965 122.820 -0.519 0.000 2.016 464 A HA -0.086 4.247 4.320 0.022 0.000 0.217 464 A C 2.221 179.596 177.584 -0.349 0.000 1.162 464 A CA 0.825 52.609 52.037 -0.422 0.000 0.662 464 A CB -0.234 18.611 19.000 -0.258 0.000 0.812 464 A HN 0.272 nan 8.150 nan 0.000 0.450 465 E N -0.177 119.774 120.200 -0.415 0.000 2.106 465 E HA -0.197 4.166 4.350 0.022 0.000 0.192 465 E C 2.118 178.584 176.600 -0.223 0.000 0.984 465 E CA 1.333 57.547 56.400 -0.311 0.000 0.806 465 E CB -0.313 29.186 29.700 -0.335 0.000 0.750 465 E HN 0.841 nan 8.360 nan 0.000 0.458 466 Q N -0.277 119.370 119.800 -0.255 0.000 2.050 466 Q HA -0.195 4.158 4.340 0.022 0.000 0.202 466 Q C 1.850 177.604 176.000 -0.411 0.000 0.980 466 Q CA 1.369 56.964 55.803 -0.346 0.000 0.840 466 Q CB -0.088 28.498 28.738 -0.253 0.000 0.898 466 Q HN 0.305 nan 8.270 nan 0.000 0.424 467 H N 0.163 119.014 119.070 -0.364 0.000 2.353 467 H HA -0.082 4.486 4.556 0.021 0.000 0.300 467 H C 2.014 177.171 175.328 -0.285 0.000 1.090 467 H CA 1.696 57.546 56.048 -0.329 0.000 1.327 467 H CB -0.291 29.333 29.762 -0.229 0.000 1.383 467 H HN 0.304 nan 8.280 nan 0.000 0.508 468 R N 0.880 121.318 120.500 -0.104 0.000 2.096 468 R HA -0.138 4.215 4.340 0.022 0.000 0.235 468 R C 1.860 178.098 176.300 -0.103 0.000 1.127 468 R CA 1.495 57.538 56.100 -0.096 0.000 0.968 468 R CB 0.073 30.319 30.300 -0.090 0.000 0.861 468 R HN 0.389 nan 8.270 nan 0.000 0.440 469 Q N 0.018 119.727 119.800 -0.151 0.000 2.123 469 Q HA -0.050 4.302 4.340 0.022 0.000 0.199 469 Q C 2.130 178.050 176.000 -0.132 0.000 0.966 469 Q CA 1.314 57.062 55.803 -0.091 0.000 0.845 469 Q CB 0.041 28.764 28.738 -0.025 0.000 0.907 469 Q HN 0.370 nan 8.270 nan 0.000 0.439 470 I N 0.791 121.109 120.570 -0.420 0.000 2.226 470 I HA -0.269 3.914 4.170 0.022 0.000 0.245 470 I C 2.241 178.321 176.117 -0.063 0.000 1.100 470 I CA 1.024 62.082 61.300 -0.403 0.000 1.374 470 I CB -0.102 37.483 38.000 -0.691 0.000 1.057 470 I HN 0.154 nan 8.210 nan 0.000 0.413 471 E N 0.532 120.679 120.200 -0.090 0.000 2.110 471 E HA -0.238 4.125 4.350 0.022 0.000 0.193 471 E C 2.079 178.690 176.600 0.019 0.000 0.988 471 E CA 1.159 57.539 56.400 -0.034 0.000 0.804 471 E CB -0.138 29.521 29.700 -0.069 0.000 0.745 471 E HN 0.535 nan 8.360 nan 0.000 0.458 472 E N -0.254 119.963 120.200 0.028 0.000 2.077 472 E HA -0.126 4.237 4.350 0.022 0.000 0.193 472 E C 2.008 178.712 176.600 0.173 0.000 0.989 472 E CA 1.512 57.943 56.400 0.051 0.000 0.800 472 E CB 0.066 29.809 29.700 0.072 0.000 0.746 472 E HN 0.127 nan 8.360 nan 0.000 0.452 473 T N 1.012 115.750 114.554 0.306 0.000 2.737 473 T HA -0.100 4.263 4.350 0.022 0.000 0.265 473 T C 1.867 176.858 174.700 0.485 0.000 1.038 473 T CA 0.813 63.208 62.100 0.492 0.000 1.144 473 T CB -0.146 69.076 68.868 0.590 0.000 0.866 473 T HN 0.091 nan 8.240 nan 0.000 0.434 474 L N 0.882 122.319 121.223 0.356 0.000 2.131 474 L HA -0.033 4.319 4.340 0.022 0.000 0.210 474 L C 2.965 180.015 176.870 0.301 0.000 1.092 474 L CA 0.967 56.003 54.840 0.327 0.000 0.759 474 L CB -0.667 41.492 42.059 0.165 0.000 0.903 474 L HN 0.223 nan 8.230 nan 0.000 0.435 475 A N -0.645 122.251 122.820 0.125 0.000 2.131 475 A HA -0.243 4.090 4.320 0.022 0.000 0.220 475 A C 1.826 179.413 177.584 0.004 0.000 1.158 475 A CA 1.427 53.475 52.037 0.020 0.000 0.665 475 A CB -0.889 18.034 19.000 -0.129 0.000 0.795 475 A HN 0.483 nan 8.150 nan 0.000 0.460 476 H N -2.576 116.590 119.070 0.160 0.000 2.521 476 H HA -0.013 4.555 4.556 0.021 0.000 0.286 476 H C 0.929 176.198 175.328 -0.098 0.000 1.034 476 H CA 1.517 57.569 56.048 0.008 0.000 1.278 476 H CB -0.109 29.611 29.762 -0.069 0.000 1.386 476 H HN 0.612 nan 8.280 nan 0.000 0.567 477 F N -1.039 119.011 119.950 0.166 0.000 2.749 477 F HA 0.019 4.559 4.527 0.021 0.000 0.300 477 F C 1.202 177.045 175.800 0.072 0.000 1.103 477 F CA 0.021 58.083 58.000 0.102 0.000 1.342 477 F CB 0.249 39.287 39.000 0.063 0.000 1.098 477 F HN 0.253 nan 8.300 nan 0.000 0.586 478 H N 2.455 121.605 119.070 0.132 0.000 2.800 478 H HA 0.293 4.861 4.556 0.021 0.000 0.291 478 H C -0.720 174.624 175.328 0.026 0.000 1.076 478 H CA 0.134 56.218 56.048 0.060 0.000 1.452 478 H CB 0.371 30.147 29.762 0.023 0.000 1.461 478 H HN 0.059 nan 8.280 nan 0.000 0.488 479 L N 5.794 126.790 121.223 -0.378 0.000 2.294 479 L HA 0.134 4.487 4.340 0.022 0.000 0.283 479 L C 0.873 177.593 176.870 -0.250 0.000 1.015 479 L CA -0.600 54.132 54.840 -0.179 0.000 0.831 479 L CB 1.590 43.584 42.059 -0.109 0.000 1.217 479 L HN 0.607 nan 8.230 nan 0.000 0.420 480 T N 1.896 116.429 114.554 -0.035 0.000 2.906 480 T HA -0.077 4.286 4.350 0.022 0.000 0.320 480 T C 1.268 175.963 174.700 -0.007 0.000 1.088 480 T CA 0.238 62.362 62.100 0.039 0.000 1.120 480 T CB 0.805 69.722 68.868 0.082 0.000 1.000 480 T HN 0.582 nan 8.240 nan 0.000 0.550 481 K N 1.234 121.635 120.400 0.002 0.000 2.360 481 K HA -0.151 4.182 4.320 0.022 0.000 0.201 481 K C 1.246 177.848 176.600 0.003 0.000 1.046 481 K CA 1.353 57.638 56.287 -0.002 0.000 0.940 481 K CB 0.147 32.649 32.500 0.004 0.000 0.748 481 K HN 0.441 nan 8.250 nan 0.000 0.465 482 D N -0.453 119.952 120.400 0.009 0.000 2.355 482 D HA -0.025 4.628 4.640 0.022 0.000 0.206 482 D C 1.561 177.865 176.300 0.006 0.000 1.010 482 D CA 0.290 54.295 54.000 0.008 0.000 0.875 482 D CB 0.269 41.074 40.800 0.009 0.000 0.966 482 D HN 0.115 nan 8.370 nan 0.000 0.512 483 M N 0.357 119.961 119.600 0.007 0.000 2.159 483 M HA -0.026 4.467 4.480 0.022 0.000 0.263 483 M C 1.820 178.121 176.300 0.002 0.000 1.063 483 M CA 1.144 56.446 55.300 0.004 0.000 1.110 483 M CB -0.320 32.283 32.600 0.005 0.000 1.374 483 M HN -0.041 nan 8.290 nan 0.000 0.411 484 L N -1.132 120.090 121.223 -0.001 0.000 2.072 484 L HA -0.174 4.179 4.340 0.022 0.000 0.205 484 L C 2.231 179.108 176.870 0.012 0.000 1.079 484 L CA 0.949 55.790 54.840 0.002 0.000 0.752 484 L CB -0.484 41.568 42.059 -0.012 0.000 0.906 484 L HN 0.325 nan 8.230 nan 0.000 0.436 485 L N -0.207 121.021 121.223 0.008 0.000 2.079 485 L HA -0.247 4.106 4.340 0.022 0.000 0.210 485 L C 2.516 179.392 176.870 0.009 0.000 1.081 485 L CA 1.397 56.242 54.840 0.008 0.000 0.752 485 L CB -0.339 41.723 42.059 0.006 0.000 0.896 485 L HN 0.288 nan 8.230 nan 0.000 0.433 486 E N -0.391 119.815 120.200 0.010 0.000 2.216 486 E HA -0.132 4.231 4.350 0.022 0.000 0.192 486 E C 2.025 178.640 176.600 0.026 0.000 0.988 486 E CA 0.812 57.219 56.400 0.012 0.000 0.834 486 E CB -0.005 29.698 29.700 0.005 0.000 0.772 486 E HN 0.166 nan 8.360 nan 0.000 0.479 487 V N 1.046 120.981 119.914 0.034 0.000 2.379 487 V HA -0.195 3.938 4.120 0.022 0.000 0.245 487 V C 2.448 178.590 176.094 0.081 0.000 1.044 487 V CA 2.018 64.366 62.300 0.081 0.000 1.036 487 V CB -0.466 31.403 31.823 0.077 0.000 0.664 487 V HN 0.388 nan 8.190 nan 0.000 0.453 488 K N 0.922 121.337 120.400 0.025 0.000 2.009 488 K HA -0.308 4.025 4.320 0.022 0.000 0.210 488 K C 2.231 178.812 176.600 -0.032 0.000 1.049 488 K CA 2.468 58.743 56.287 -0.019 0.000 0.929 488 K CB -0.320 32.176 32.500 -0.007 0.000 0.714 488 K HN 0.447 nan 8.250 nan 0.000 0.440 489 K N 0.553 120.949 120.400 -0.007 0.000 2.097 489 K HA -0.159 4.174 4.320 0.022 0.000 0.206 489 K C 2.146 178.744 176.600 -0.003 0.000 1.049 489 K CA 1.396 57.677 56.287 -0.010 0.000 0.933 489 K CB -0.050 32.450 32.500 -0.001 0.000 0.717 489 K HN 0.143 nan 8.250 nan 0.000 0.442 490 R N -0.057 120.467 120.500 0.039 0.000 2.081 490 R HA -0.120 4.233 4.340 0.022 0.000 0.235 490 R C 2.431 178.757 176.300 0.044 0.000 1.131 490 R CA 1.847 58.008 56.100 0.102 0.000 0.960 490 R CB -0.360 30.050 30.300 0.183 0.000 0.856 490 R HN 0.281 nan 8.270 nan 0.000 0.436 491 M N 0.744 120.258 119.600 -0.143 0.000 2.080 491 M HA -0.173 4.320 4.480 0.022 0.000 0.260 491 M C 2.082 178.178 176.300 -0.340 0.000 1.068 491 M CA 1.732 56.630 55.300 -0.669 0.000 1.109 491 M CB -0.174 31.969 32.600 -0.762 0.000 1.342 491 M HN -0.174 nan 8.290 nan 0.000 0.405 492 R N 0.543 120.932 120.500 -0.185 0.000 2.105 492 R HA -0.023 4.330 4.340 0.022 0.000 0.239 492 R C 1.868 178.121 176.300 -0.079 0.000 1.135 492 R CA 2.091 58.121 56.100 -0.117 0.000 0.967 492 R CB -1.205 29.052 30.300 -0.073 0.000 0.861 492 R HN 0.534 nan 8.270 nan 0.000 0.442 493 A N 0.269 123.057 122.820 -0.054 0.000 2.067 493 A HA 0.008 4.341 4.320 0.022 0.000 0.217 493 A C 1.696 179.267 177.584 -0.021 0.000 1.156 493 A CA 1.027 53.050 52.037 -0.023 0.000 0.683 493 A CB -0.225 18.774 19.000 -0.002 0.000 0.808 493 A HN 0.339 nan 8.150 nan 0.000 0.455 494 E N -0.155 120.018 120.200 -0.045 0.000 2.158 494 E HA -0.093 4.269 4.350 0.022 0.000 0.191 494 E C 1.951 178.525 176.600 -0.044 0.000 0.982 494 E CA 0.791 57.168 56.400 -0.037 0.000 0.823 494 E CB -0.409 29.254 29.700 -0.062 0.000 0.766 494 E HN 0.701 nan 8.360 nan 0.000 0.468 495 M N 0.975 120.534 119.600 -0.069 0.000 2.126 495 M HA -0.196 4.297 4.480 0.022 0.000 0.259 495 M C 2.103 178.413 176.300 0.017 0.000 1.073 495 M CA 1.525 56.811 55.300 -0.023 0.000 1.103 495 M CB -0.421 32.149 32.600 -0.050 0.000 1.284 495 M HN -0.070 nan 8.290 nan 0.000 0.420 496 E N 0.782 120.988 120.200 0.009 0.000 2.113 496 E HA -0.252 4.111 4.350 0.022 0.000 0.210 496 E C 2.038 178.658 176.600 0.034 0.000 1.040 496 E CA 1.646 58.060 56.400 0.023 0.000 0.847 496 E CB -1.007 28.700 29.700 0.011 0.000 0.755 496 E HN 0.554 nan 8.360 nan 0.000 0.459 497 L N 0.125 121.363 121.223 0.025 0.000 2.043 497 L HA -0.159 4.194 4.340 0.022 0.000 0.212 497 L C 2.514 179.420 176.870 0.060 0.000 1.075 497 L CA 1.532 56.392 54.840 0.034 0.000 0.752 497 L CB -0.638 41.432 42.059 0.017 0.000 0.891 497 L HN 0.225 nan 8.230 nan 0.000 0.432 498 G N -0.780 108.046 108.800 0.043 0.000 2.464 498 G HA2 -0.069 3.904 3.960 0.022 0.000 0.217 498 G HA3 -0.069 3.904 3.960 0.022 0.000 0.217 498 G C 1.591 176.620 174.900 0.216 0.000 1.138 498 G CA 0.092 45.218 45.100 0.044 0.000 0.793 498 G HN 0.216 nan 8.290 nan 0.000 0.539 499 L N -0.122 121.181 121.223 0.133 0.000 2.109 499 L HA 0.137 4.490 4.340 0.022 0.000 0.207 499 L C 1.427 178.346 176.870 0.082 0.000 1.086 499 L CA 0.218 55.121 54.840 0.105 0.000 0.760 499 L CB -0.188 41.911 42.059 0.066 0.000 0.910 499 L HN 0.028 nan 8.230 nan 0.000 0.437 500 R N 1.371 121.922 120.500 0.085 0.000 2.484 500 R HA -0.062 4.291 4.340 0.022 0.000 0.293 500 R C 1.203 177.536 176.300 0.055 0.000 1.023 500 R CA 0.087 56.221 56.100 0.055 0.000 1.037 500 R CB 0.604 30.934 30.300 0.050 0.000 0.951 500 R HN 0.129 nan 8.270 nan 0.000 0.418 501 K N 2.291 122.691 120.400 0.000 0.000 2.113 501 K HA -0.209 4.124 4.320 0.022 0.000 0.208 501 K C 0.888 177.485 176.600 -0.006 0.000 1.047 501 K CA 1.484 57.747 56.287 -0.040 0.000 0.928 501 K CB 0.342 32.819 32.500 -0.038 0.000 0.716 501 K HN 0.449 nan 8.250 nan 0.000 0.446 502 Q N -0.415 119.397 119.800 0.021 0.000 2.320 502 Q HA 0.019 4.372 4.340 0.022 0.000 0.201 502 Q C 0.822 176.854 176.000 0.054 0.000 0.910 502 Q CA 0.855 56.677 55.803 0.031 0.000 0.946 502 Q CB 1.300 30.049 28.738 0.019 0.000 1.062 502 Q HN 0.484 nan 8.270 nan 0.000 0.503 503 T N -5.263 109.343 114.554 0.087 0.000 3.043 503 T HA 0.095 4.458 4.350 0.022 0.000 0.272 503 T C 0.696 175.470 174.700 0.123 0.000 0.990 503 T CA -0.362 61.790 62.100 0.087 0.000 0.897 503 T CB -0.240 68.664 68.868 0.060 0.000 1.111 503 T HN 0.244 nan 8.240 nan 0.000 0.529 504 H N 2.725 121.803 119.070 0.013 0.000 5.294 504 H HA 0.043 4.612 4.556 0.022 0.000 0.149 504 H C 0.564 175.903 175.328 0.018 0.000 0.769 504 H CA 0.390 56.448 56.048 0.017 0.000 1.353 504 H CB -0.120 29.651 29.762 0.015 0.000 1.530 504 H HN 0.421 nan 8.280 nan 0.000 0.974 505 N N 1.215 119.923 118.700 0.014 0.000 2.512 505 N HA -0.149 4.604 4.740 0.022 0.000 0.184 505 N C 0.714 176.218 175.510 -0.011 0.000 1.823 505 N CA 0.231 53.287 53.050 0.011 0.000 1.376 505 N CB -0.450 38.055 38.487 0.029 0.000 1.534 505 N HN 0.486 nan 8.380 nan 0.000 0.698 506 N N 0.764 119.464 118.700 0.000 0.000 2.826 506 N HA -0.095 4.658 4.740 0.022 0.000 0.207 506 N C -0.072 175.434 175.510 -0.007 0.000 1.285 506 N CA 0.878 53.928 53.050 -0.001 0.000 0.984 506 N CB -0.242 38.249 38.487 0.005 0.000 1.052 506 N HN 0.416 nan 8.380 nan 0.000 0.451 507 A N 0.521 123.322 122.820 -0.033 0.000 3.015 507 A HA 0.330 4.663 4.320 0.022 0.000 0.293 507 A C 1.386 178.920 177.584 -0.082 0.000 1.572 507 A CA -0.619 51.372 52.037 -0.076 0.000 1.274 507 A CB -0.219 18.687 19.000 -0.157 0.000 1.156 507 A HN 0.355 nan 8.150 nan 0.000 0.562 508 V N 0.327 120.229 119.914 -0.019 0.000 2.626 508 V HA -0.051 4.081 4.120 0.022 0.000 0.252 508 V C 0.919 177.025 176.094 0.021 0.000 1.067 508 V CA 0.958 63.264 62.300 0.009 0.000 1.081 508 V CB -1.055 30.794 31.823 0.043 0.000 0.686 508 V HN 0.334 nan 8.190 nan 0.000 0.468 509 V N 2.500 122.424 119.914 0.015 0.000 2.339 509 V HA 0.281 4.414 4.120 0.022 0.000 0.261 509 V C 1.347 177.420 176.094 -0.035 0.000 1.058 509 V CA -0.380 61.933 62.300 0.022 0.000 0.897 509 V CB 0.701 32.528 31.823 0.006 0.000 1.052 509 V HN 0.353 nan 8.190 nan 0.000 0.480 510 K N 3.568 123.944 120.400 -0.040 0.000 2.288 510 K HA 0.094 4.427 4.320 0.022 0.000 0.201 510 K C 0.842 177.457 176.600 0.026 0.000 1.048 510 K CA 0.183 56.409 56.287 -0.101 0.000 0.956 510 K CB -0.122 32.359 32.500 -0.032 0.000 0.746 510 K HN 0.631 nan 8.250 nan 0.000 0.461 511 M N 0.698 120.337 119.600 0.065 0.000 2.516 511 M HA -0.206 4.287 4.480 0.022 0.000 0.183 511 M C -0.710 175.640 176.300 0.085 0.000 0.928 511 M CA 0.641 55.996 55.300 0.092 0.000 0.573 511 M CB -2.492 30.176 32.600 0.113 0.000 1.126 511 M HN 0.008 nan 8.290 nan 0.000 0.859 512 L N 1.967 123.227 121.223 0.062 0.000 2.331 512 L HA 0.345 4.698 4.340 0.022 0.000 0.278 512 L C -1.685 175.170 176.870 -0.025 0.000 1.106 512 L CA -1.730 53.136 54.840 0.043 0.000 0.824 512 L CB 0.488 42.582 42.059 0.059 0.000 1.142 512 L HN 0.150 nan 8.230 nan 0.000 0.443 513 P HA 0.082 nan 4.420 nan 0.000 0.276 513 P C 0.135 177.363 177.300 -0.121 0.000 1.235 513 P CA -0.238 62.733 63.100 -0.216 0.000 0.772 513 P CB 1.155 32.591 31.700 -0.440 0.000 0.871 514 S N 2.524 118.166 115.700 -0.098 0.000 2.503 514 S HA 0.063 4.546 4.470 0.022 0.000 0.217 514 S C 0.727 175.436 174.600 0.182 0.000 0.999 514 S CA -0.009 58.212 58.200 0.036 0.000 0.914 514 S CB -0.868 62.327 63.200 -0.008 0.000 0.782 514 S HN 0.350 nan 8.310 nan 0.000 0.520 515 F N 0.376 120.304 119.950 -0.037 0.000 2.926 515 F HA -0.172 4.367 4.527 0.022 0.000 0.288 515 F C 0.343 176.123 175.800 -0.033 0.000 0.756 515 F CA 0.629 58.610 58.000 -0.032 0.000 1.292 515 F CB -1.943 37.045 39.000 -0.021 0.000 1.482 515 F HN 0.327 nan 8.300 nan 0.000 0.400 516 V N -0.123 119.828 119.914 0.061 0.000 2.364 516 V HA 0.519 4.652 4.120 0.022 0.000 0.272 516 V C 1.019 177.105 176.094 -0.013 0.000 1.036 516 V CA -0.301 62.016 62.300 0.027 0.000 0.880 516 V CB 1.656 33.485 31.823 0.010 0.000 0.991 516 V HN 0.292 nan 8.190 nan 0.000 0.460 517 R N 4.308 124.808 120.500 0.000 0.000 2.312 517 R HA 0.357 4.710 4.340 0.022 0.000 0.205 517 R C 0.435 176.719 176.300 -0.027 0.000 0.904 517 R CA 0.365 56.454 56.100 -0.019 0.000 1.052 517 R CB 0.284 30.584 30.300 -0.000 0.000 1.014 517 R HN 0.919 nan 8.270 nan 0.000 0.503 518 R N -2.745 117.742 120.500 -0.022 0.000 2.741 518 R HA 0.275 4.628 4.340 0.022 0.000 0.276 518 R C -0.911 175.378 176.300 -0.018 0.000 1.028 518 R CA -0.811 55.276 56.100 -0.022 0.000 0.865 518 R CB 0.699 30.991 30.300 -0.013 0.000 1.268 518 R HN -0.190 nan 8.270 nan 0.000 0.475 519 T N 0.432 114.976 114.554 -0.018 0.000 2.770 519 T HA 0.476 4.839 4.350 0.022 0.000 0.281 519 T C -2.132 172.569 174.700 0.002 0.000 0.981 519 T CA -1.783 60.312 62.100 -0.010 0.000 0.955 519 T CB 0.527 69.386 68.868 -0.015 0.000 1.060 519 T HN 0.481 nan 8.240 nan 0.000 0.531 520 P HA 0.306 nan 4.420 nan 0.000 0.270 520 P C -0.980 176.326 177.300 0.011 0.000 1.223 520 P CA 0.056 63.178 63.100 0.038 0.000 0.785 520 P CB 0.286 32.050 31.700 0.107 0.000 0.923 521 D N 0.313 120.723 120.400 0.017 0.000 2.849 521 D HA 0.213 4.866 4.640 0.022 0.000 0.314 521 D C 1.218 177.523 176.300 0.008 0.000 1.210 521 D CA -0.072 53.929 54.000 0.001 0.000 0.756 521 D CB -0.635 40.170 40.800 0.009 0.000 1.222 521 D HN 0.495 nan 8.370 nan 0.000 0.521 522 G N 1.087 109.884 108.800 -0.004 0.000 2.357 522 G HA2 -0.416 3.557 3.960 0.022 0.000 0.312 522 G HA3 -0.416 3.557 3.960 0.022 0.000 0.312 522 G C 1.209 176.134 174.900 0.040 0.000 0.999 522 G CA 2.018 47.121 45.100 0.005 0.000 0.715 522 G HN 0.515 nan 8.290 nan 0.000 0.526 523 T N -3.021 111.562 114.554 0.049 0.000 3.001 523 T HA 0.353 4.716 4.350 0.022 0.000 0.251 523 T C 0.612 175.359 174.700 0.078 0.000 1.040 523 T CA 0.511 62.644 62.100 0.056 0.000 0.985 523 T CB 0.480 69.373 68.868 0.040 0.000 1.011 523 T HN 0.313 nan 8.240 nan 0.000 0.509 524 E N 2.459 122.715 120.200 0.093 0.000 2.415 524 E HA 0.455 4.818 4.350 0.022 0.000 0.263 524 E C -0.440 176.254 176.600 0.156 0.000 0.995 524 E CA 0.216 56.682 56.400 0.111 0.000 0.915 524 E CB 0.324 30.067 29.700 0.073 0.000 0.951 524 E HN 0.548 nan 8.360 nan 0.000 0.449 525 N N 1.226 120.049 118.700 0.205 0.000 2.369 525 N HA 0.657 5.410 4.740 0.022 0.000 0.287 525 N C -0.985 174.665 175.510 0.234 0.000 1.067 525 N CA -0.003 53.164 53.050 0.195 0.000 0.888 525 N CB 1.509 40.065 38.487 0.116 0.000 1.616 525 N HN 0.545 nan 8.380 nan 0.000 0.482 526 G N 1.374 110.277 108.800 0.172 0.000 2.369 526 G HA2 0.067 4.040 3.960 0.022 0.000 0.295 526 G HA3 0.067 4.040 3.960 0.022 0.000 0.295 526 G C -2.179 172.553 174.900 -0.280 0.000 1.298 526 G CA -0.872 44.156 45.100 -0.120 0.000 0.940 526 G HN 0.473 nan 8.290 nan 0.000 0.536 527 D N 0.497 120.519 120.400 -0.630 0.000 2.441 527 D HA 0.665 5.318 4.640 0.022 0.000 0.231 527 D C -0.764 175.133 176.300 -0.671 0.000 1.073 527 D CA 0.206 53.939 54.000 -0.445 0.000 0.850 527 D CB 0.841 41.507 40.800 -0.224 0.000 1.062 527 D HN 0.242 nan 8.370 nan 0.000 0.524 528 F N 0.856 120.839 119.950 0.055 0.000 2.546 528 F HA 0.482 5.022 4.527 0.022 0.000 0.320 528 F C 0.289 176.136 175.800 0.078 0.000 1.076 528 F CA -1.026 57.009 58.000 0.058 0.000 0.928 528 F CB 1.389 40.417 39.000 0.047 0.000 1.189 528 F HN -0.047 nan 8.300 nan 0.000 0.465 529 L N 2.247 123.619 121.223 0.248 0.000 2.343 529 L HA 0.855 5.207 4.340 0.022 0.000 0.275 529 L C -0.135 176.830 176.870 0.159 0.000 1.056 529 L CA -0.659 54.294 54.840 0.189 0.000 0.804 529 L CB 1.524 43.671 42.059 0.146 0.000 1.203 529 L HN 0.816 nan 8.230 nan 0.000 0.440 530 A N 2.656 125.525 122.820 0.081 0.000 2.566 530 A HA 0.861 5.194 4.320 0.022 0.000 0.292 530 A C -1.759 175.828 177.584 0.005 0.000 1.112 530 A CA -0.466 51.611 52.037 0.067 0.000 0.707 530 A CB 1.873 20.913 19.000 0.068 0.000 1.302 530 A HN 0.432 nan 8.150 nan 0.000 0.409 531 L N 0.717 121.990 121.223 0.083 0.000 2.401 531 L HA 0.654 5.006 4.340 0.022 0.000 0.266 531 L C -1.403 175.623 176.870 0.260 0.000 0.991 531 L CA -0.084 54.826 54.840 0.117 0.000 0.818 531 L CB 2.140 44.235 42.059 0.060 0.000 1.321 531 L HN 0.714 nan 8.230 nan 0.000 0.413 532 D N 3.220 123.779 120.400 0.265 0.000 2.420 532 D HA 0.398 5.050 4.640 0.022 0.000 0.255 532 D C -1.663 174.905 176.300 0.446 0.000 1.185 532 D CA -0.157 54.011 54.000 0.279 0.000 0.904 532 D CB 0.980 41.853 40.800 0.121 0.000 1.102 532 D HN 0.262 nan 8.370 nan 0.000 0.534 533 L N 2.955 124.463 121.223 0.475 0.000 2.333 533 L HA 0.788 5.141 4.340 0.022 0.000 0.280 533 L C 0.939 177.912 176.870 0.171 0.000 1.004 533 L CA 0.269 55.361 54.840 0.420 0.000 0.820 533 L CB 1.607 43.981 42.059 0.525 0.000 1.247 533 L HN 0.559 nan 8.230 nan 0.000 0.416 534 G N 2.571 111.406 108.800 0.059 0.000 3.211 534 G HA2 -0.043 3.930 3.960 0.022 0.000 0.202 534 G HA3 -0.043 3.930 3.960 0.022 0.000 0.202 534 G C 0.389 175.231 174.900 -0.097 0.000 1.035 534 G CA -0.029 44.931 45.100 -0.235 0.000 0.846 534 G HN 1.063 nan 8.290 nan 0.000 0.464 535 G N -0.022 108.771 108.800 -0.012 0.000 2.509 535 G HA2 0.473 4.446 3.960 0.022 0.000 0.269 535 G HA3 0.473 4.446 3.960 0.022 0.000 0.269 535 G C 1.540 176.494 174.900 0.090 0.000 1.416 535 G CA 1.457 46.566 45.100 0.016 0.000 1.052 535 G HN 1.047 nan 8.290 nan 0.000 0.542 536 T N -1.702 112.884 114.554 0.054 0.000 2.759 536 T HA -0.062 4.301 4.350 0.022 0.000 0.269 536 T C 0.778 175.532 174.700 0.090 0.000 1.042 536 T CA 1.096 63.229 62.100 0.055 0.000 1.140 536 T CB -0.273 68.603 68.868 0.012 0.000 0.864 536 T HN 0.341 nan 8.240 nan 0.000 0.455 537 N N 0.684 119.445 118.700 0.102 0.000 2.272 537 N HA 0.384 5.137 4.740 0.022 0.000 0.305 537 N C -1.790 173.858 175.510 0.229 0.000 1.103 537 N CA -0.672 52.461 53.050 0.137 0.000 0.791 537 N CB 1.719 40.247 38.487 0.069 0.000 1.356 537 N HN 0.226 nan 8.380 nan 0.000 0.486 538 F N 3.415 123.442 119.950 0.129 0.000 2.413 538 F HA 0.288 4.828 4.527 0.021 0.000 0.359 538 F C 0.370 176.244 175.800 0.122 0.000 1.122 538 F CA -1.011 57.076 58.000 0.145 0.000 1.160 538 F CB 0.148 39.255 39.000 0.180 0.000 1.146 538 F HN 0.405 nan 8.300 nan 0.000 0.514 539 R N 5.214 125.504 120.500 -0.349 0.000 2.740 539 R HA 0.818 5.171 4.340 0.022 0.000 0.282 539 R C -2.156 173.753 176.300 -0.651 0.000 0.969 539 R CA -0.955 54.849 56.100 -0.493 0.000 0.918 539 R CB 1.707 31.886 30.300 -0.201 0.000 1.175 539 R HN 0.373 nan 8.270 nan 0.000 0.464 540 V N 3.909 123.413 119.914 -0.683 0.000 2.459 540 V HA 0.453 4.586 4.120 0.022 0.000 0.295 540 V C -0.588 174.836 176.094 -1.116 0.000 1.029 540 V CA -0.771 61.034 62.300 -0.824 0.000 0.874 540 V CB 1.314 32.569 31.823 -0.947 0.000 0.985 540 V HN 0.587 nan 8.190 nan 0.000 0.438 541 L N 5.047 125.808 121.223 -0.770 0.000 2.354 541 L HA 0.665 5.018 4.340 0.022 0.000 0.264 541 L C -0.838 176.062 176.870 0.050 0.000 1.008 541 L CA -0.562 54.071 54.840 -0.344 0.000 0.819 541 L CB 2.002 43.998 42.059 -0.104 0.000 1.339 541 L HN 0.524 nan 8.230 nan 0.000 0.420 542 L N 2.838 124.310 121.223 0.415 0.000 2.319 542 L HA 0.748 5.101 4.340 0.022 0.000 0.281 542 L C -1.246 175.797 176.870 0.288 0.000 1.005 542 L CA -0.343 54.745 54.840 0.414 0.000 0.828 542 L CB 1.655 43.976 42.059 0.438 0.000 1.227 542 L HN 0.293 nan 8.230 nan 0.000 0.415 543 V N 5.228 125.283 119.914 0.235 0.000 2.349 543 V HA 0.454 4.587 4.120 0.022 0.000 0.284 543 V C -0.169 176.060 176.094 0.226 0.000 1.014 543 V CA -0.741 61.673 62.300 0.190 0.000 0.826 543 V CB 1.238 33.145 31.823 0.139 0.000 1.009 543 V HN 0.649 nan 8.190 nan 0.000 0.431 544 K N 5.611 126.104 120.400 0.155 0.000 2.253 544 K HA 0.654 4.987 4.320 0.022 0.000 0.277 544 K C -0.851 175.816 176.600 0.112 0.000 1.053 544 K CA -0.248 56.113 56.287 0.124 0.000 0.892 544 K CB 1.478 34.032 32.500 0.089 0.000 1.102 544 K HN 0.576 nan 8.250 nan 0.000 0.469 545 I N 3.734 124.399 120.570 0.158 0.000 2.378 545 I HA 0.405 4.588 4.170 0.022 0.000 0.291 545 I C -0.012 176.180 176.117 0.125 0.000 0.992 545 I CA -1.043 60.334 61.300 0.130 0.000 1.154 545 I CB 1.317 39.422 38.000 0.175 0.000 1.315 545 I HN 0.336 nan 8.210 nan 0.000 0.448 546 R N 3.141 123.702 120.500 0.103 0.000 2.637 546 R HA 0.355 4.708 4.340 0.022 0.000 0.291 546 R C 0.614 176.976 176.300 0.103 0.000 0.963 546 R CA -0.494 55.660 56.100 0.090 0.000 0.901 546 R CB 2.054 32.393 30.300 0.065 0.000 1.160 546 R HN 0.742 nan 8.270 nan 0.000 0.457 547 S N -0.278 115.477 115.700 0.091 0.000 2.548 547 S HA 0.051 4.534 4.470 0.022 0.000 0.215 547 S C 1.335 175.971 174.600 0.060 0.000 0.976 547 S CA 0.001 58.252 58.200 0.085 0.000 0.908 547 S CB 0.063 63.309 63.200 0.077 0.000 0.781 547 S HN 0.764 nan 8.310 nan 0.000 0.519 548 G N 2.153 110.984 108.800 0.051 0.000 1.967 548 G HA2 -0.155 3.818 3.960 0.022 0.000 1.010 548 G HA3 -0.155 3.818 3.960 0.022 0.000 1.010 548 G C 0.631 175.549 174.900 0.030 0.000 1.140 548 G CA 0.567 45.689 45.100 0.037 0.000 1.465 548 G HN 0.387 nan 8.290 nan 0.000 0.792 549 K N -0.548 119.866 120.400 0.024 0.000 2.374 549 K HA 0.193 4.526 4.320 0.022 0.000 0.196 549 K C 1.353 177.965 176.600 0.020 0.000 1.023 549 K CA 0.373 56.671 56.287 0.017 0.000 1.103 549 K CB 0.326 32.833 32.500 0.013 0.000 0.848 549 K HN 0.274 nan 8.250 nan 0.000 0.528 550 K N 0.857 121.274 120.400 0.028 0.000 2.514 550 K HA 0.182 4.515 4.320 0.022 0.000 0.207 550 K C -0.619 176.010 176.600 0.049 0.000 1.035 550 K CA -0.357 55.950 56.287 0.033 0.000 1.113 550 K CB 0.574 33.092 32.500 0.030 0.000 0.846 550 K HN -0.005 nan 8.250 nan 0.000 0.491 551 R N 2.538 123.073 120.500 0.058 0.000 4.048 551 R HA -0.165 4.188 4.340 0.022 0.000 0.110 551 R C 0.132 176.505 176.300 0.121 0.000 0.432 551 R CA 1.355 57.513 56.100 0.096 0.000 0.770 551 R CB -0.640 29.706 30.300 0.076 0.000 1.125 551 R HN 0.436 nan 8.270 nan 0.000 0.220 552 T N -1.375 113.257 114.554 0.129 0.000 2.843 552 T HA 0.643 5.006 4.350 0.022 0.000 0.302 552 T C -0.627 174.119 174.700 0.077 0.000 1.232 552 T CA -0.972 61.188 62.100 0.101 0.000 1.009 552 T CB 2.345 71.251 68.868 0.063 0.000 1.254 552 T HN 0.142 nan 8.240 nan 0.000 0.504 553 V N 1.195 121.125 119.914 0.026 0.000 2.567 553 V HA 0.541 4.674 4.120 0.022 0.000 0.298 553 V C -0.662 175.412 176.094 -0.032 0.000 1.047 553 V CA -0.670 61.605 62.300 -0.041 0.000 0.880 553 V CB 1.611 33.329 31.823 -0.176 0.000 1.009 553 V HN 1.035 nan 8.190 nan 0.000 0.429 554 E N 5.137 125.326 120.200 -0.018 0.000 2.145 554 E HA 0.644 5.007 4.350 0.022 0.000 0.270 554 E C -1.258 175.287 176.600 -0.092 0.000 0.906 554 E CA -0.552 55.821 56.400 -0.045 0.000 0.761 554 E CB 1.522 31.241 29.700 0.032 0.000 1.116 554 E HN 0.632 nan 8.360 nan 0.000 0.408 555 M N 2.722 122.187 119.600 -0.224 0.000 2.456 555 M HA 0.382 4.875 4.480 0.022 0.000 0.324 555 M C -1.076 174.922 176.300 -0.503 0.000 1.124 555 M CA -0.663 54.513 55.300 -0.207 0.000 0.959 555 M CB 1.938 34.477 32.600 -0.102 0.000 1.692 555 M HN 0.477 nan 8.290 nan 0.000 0.444 556 H N 0.986 120.138 119.070 0.136 0.000 2.679 556 H HA 0.575 5.144 4.556 0.022 0.000 0.360 556 H C -1.293 174.201 175.328 0.277 0.000 1.105 556 H CA -0.799 55.376 56.048 0.213 0.000 1.196 556 H CB 1.513 31.413 29.762 0.230 0.000 1.636 556 H HN 0.729 nan 8.280 nan 0.000 0.531 557 N N 0.633 119.545 118.700 0.354 0.000 2.732 557 N HA 0.489 5.242 4.740 0.022 0.000 0.259 557 N C -1.682 173.993 175.510 0.275 0.000 1.402 557 N CA -1.277 51.895 53.050 0.204 0.000 0.829 557 N CB 2.485 40.969 38.487 -0.005 0.000 1.495 557 N HN 0.423 nan 8.380 nan 0.000 0.511 558 K N 0.848 121.291 120.400 0.073 0.000 2.581 558 K HA 0.426 4.758 4.320 0.022 0.000 0.249 558 K C -1.588 174.959 176.600 -0.088 0.000 0.966 558 K CA -0.560 55.738 56.287 0.019 0.000 0.811 558 K CB 1.345 33.935 32.500 0.150 0.000 1.223 558 K HN 0.604 nan 8.250 nan 0.000 0.438 559 I N 4.452 124.927 120.570 -0.159 0.000 2.588 559 I HA 0.094 4.277 4.170 0.022 0.000 0.283 559 I C -0.697 175.257 176.117 -0.272 0.000 1.119 559 I CA 0.049 61.269 61.300 -0.133 0.000 1.419 559 I CB 0.285 38.231 38.000 -0.090 0.000 1.394 559 I HN 0.514 nan 8.210 nan 0.000 0.562 560 Y N 4.445 124.663 120.300 -0.135 0.000 2.391 560 Y HA 0.577 5.140 4.550 0.022 0.000 0.341 560 Y C 0.439 176.447 175.900 0.180 0.000 0.965 560 Y CA -0.930 57.172 58.100 0.003 0.000 1.067 560 Y CB 1.640 40.092 38.460 -0.014 0.000 1.199 560 Y HN 0.601 nan 8.280 nan 0.000 0.450 561 A N 4.065 127.047 122.820 0.270 0.000 2.406 561 A HA 0.597 4.930 4.320 0.022 0.000 0.243 561 A C -0.258 177.541 177.584 0.357 0.000 1.082 561 A CA -0.281 51.899 52.037 0.239 0.000 0.786 561 A CB 0.068 19.149 19.000 0.134 0.000 1.029 561 A HN 0.638 nan 8.150 nan 0.000 0.495 562 I N 0.181 120.882 120.570 0.219 0.000 2.466 562 I HA 0.418 4.601 4.170 0.022 0.000 0.279 562 I C -2.797 173.290 176.117 -0.050 0.000 1.033 562 I CA -2.973 58.394 61.300 0.111 0.000 1.123 562 I CB 0.727 38.788 38.000 0.102 0.000 1.237 562 I HN 0.278 nan 8.210 nan 0.000 0.460 563 P HA 0.097 nan 4.420 nan 0.000 0.270 563 P C 1.158 178.373 177.300 -0.142 0.000 1.242 563 P CA -0.265 62.770 63.100 -0.109 0.000 0.768 563 P CB 0.841 32.473 31.700 -0.112 0.000 0.820 564 I N 1.906 122.395 120.570 -0.136 0.000 2.874 564 I HA -0.234 3.949 4.170 0.022 0.000 0.271 564 I C 1.163 177.191 176.117 -0.149 0.000 1.263 564 I CA 1.141 62.340 61.300 -0.168 0.000 1.443 564 I CB -1.549 36.346 38.000 -0.176 0.000 1.100 564 I HN 0.338 nan 8.210 nan 0.000 0.480 565 E N 0.754 120.879 120.200 -0.124 0.000 2.438 565 E HA 0.011 4.374 4.350 0.022 0.000 0.192 565 E C 1.337 177.863 176.600 -0.124 0.000 1.110 565 E CA 0.536 56.872 56.400 -0.107 0.000 0.893 565 E CB -0.399 29.252 29.700 -0.082 0.000 0.990 565 E HN 0.691 nan 8.360 nan 0.000 0.490 566 I N -0.695 119.778 120.570 -0.162 0.000 4.922 566 I HA 0.000 4.183 4.170 0.022 0.000 0.331 566 I C 2.017 178.035 176.117 -0.166 0.000 1.260 566 I CA -0.160 61.042 61.300 -0.163 0.000 1.366 566 I CB 0.173 38.025 38.000 -0.247 0.000 1.386 566 I HN -0.047 nan 8.210 nan 0.000 0.483 567 M N 0.478 119.938 119.600 -0.233 0.000 2.159 567 M HA -0.077 4.416 4.480 0.022 0.000 0.263 567 M C 0.468 176.559 176.300 -0.348 0.000 1.063 567 M CA 1.835 56.911 55.300 -0.374 0.000 1.110 567 M CB -0.551 31.764 32.600 -0.476 0.000 1.374 567 M HN 0.202 nan 8.290 nan 0.000 0.411 568 Q N -0.197 119.460 119.800 -0.237 0.000 3.300 568 Q HA 0.472 4.825 4.340 0.022 0.000 0.271 568 Q C -0.150 175.793 176.000 -0.095 0.000 0.926 568 Q CA -0.460 55.244 55.803 -0.165 0.000 0.788 568 Q CB 1.309 29.947 28.738 -0.167 0.000 1.385 568 Q HN 0.368 nan 8.270 nan 0.000 0.424 569 G N -0.154 108.609 108.800 -0.063 0.000 3.003 569 G HA2 0.436 4.409 3.960 0.022 0.000 0.243 569 G HA3 0.436 4.409 3.960 0.022 0.000 0.243 569 G C -0.505 174.403 174.900 0.013 0.000 1.176 569 G CA -0.276 44.807 45.100 -0.030 0.000 0.812 569 G HN 0.161 nan 8.290 nan 0.000 0.584 570 T N -0.410 114.160 114.554 0.027 0.000 2.824 570 T HA 0.464 4.827 4.350 0.022 0.000 0.277 570 T C 1.614 176.372 174.700 0.096 0.000 0.975 570 T CA 0.541 62.675 62.100 0.058 0.000 0.966 570 T CB 1.265 70.161 68.868 0.046 0.000 1.054 570 T HN 0.713 nan 8.240 nan 0.000 0.533 571 G N -0.325 108.550 108.800 0.124 0.000 2.396 571 G HA2 -0.091 3.882 3.960 0.022 0.000 0.214 571 G HA3 -0.091 3.882 3.960 0.022 0.000 0.214 571 G C 1.259 176.330 174.900 0.285 0.000 1.166 571 G CA 0.520 45.754 45.100 0.222 0.000 0.793 571 G HN 0.819 nan 8.290 nan 0.000 0.533 572 E N 0.791 121.079 120.200 0.148 0.000 2.106 572 E HA -0.129 4.234 4.350 0.022 0.000 0.192 572 E C 2.069 178.754 176.600 0.141 0.000 0.984 572 E CA 1.121 57.601 56.400 0.134 0.000 0.806 572 E CB -0.148 29.590 29.700 0.064 0.000 0.750 572 E HN 0.558 nan 8.360 nan 0.000 0.458 573 E N 0.154 120.415 120.200 0.102 0.000 2.347 573 E HA -0.132 4.231 4.350 0.022 0.000 0.196 573 E C 1.848 178.489 176.600 0.068 0.000 1.008 573 E CA 0.452 56.896 56.400 0.073 0.000 0.852 573 E CB 0.088 29.809 29.700 0.036 0.000 0.783 573 E HN 0.247 nan 8.360 nan 0.000 0.505 574 L N -0.765 120.503 121.223 0.075 0.000 2.145 574 L HA 0.089 4.442 4.340 0.022 0.000 0.201 574 L C 1.548 178.336 176.870 -0.137 0.000 1.075 574 L CA 1.451 56.268 54.840 -0.038 0.000 0.773 574 L CB -0.218 41.798 42.059 -0.072 0.000 0.936 574 L HN -0.045 nan 8.230 nan 0.000 0.451 575 F N 0.176 120.160 119.950 0.057 0.000 2.407 575 F HA -0.067 4.473 4.527 0.022 0.000 0.299 575 F C 2.045 177.860 175.800 0.026 0.000 1.097 575 F CA 0.901 58.913 58.000 0.020 0.000 1.422 575 F CB -0.417 38.581 39.000 -0.003 0.000 1.067 575 F HN 0.160 nan 8.300 nan 0.000 0.539 576 D N -1.283 119.228 120.400 0.185 0.000 2.183 576 D HA -0.158 4.495 4.640 0.022 0.000 0.203 576 D C 1.994 178.376 176.300 0.136 0.000 0.969 576 D CA 1.145 55.228 54.000 0.138 0.000 0.842 576 D CB -0.307 40.560 40.800 0.113 0.000 0.957 576 D HN 0.270 nan 8.370 nan 0.000 0.484 577 H N 0.748 119.834 119.070 0.027 0.000 2.270 577 H HA 0.006 4.575 4.556 0.022 0.000 0.299 577 H C 2.165 177.500 175.328 0.010 0.000 1.077 577 H CA 1.356 57.413 56.048 0.015 0.000 1.294 577 H CB -0.493 29.257 29.762 -0.020 0.000 1.371 577 H HN 0.010 nan 8.280 nan 0.000 0.491 578 I N -0.157 120.339 120.570 -0.124 0.000 2.181 578 I HA -0.322 3.861 4.170 0.022 0.000 0.247 578 I C 2.596 178.698 176.117 -0.026 0.000 1.081 578 I CA 1.867 63.075 61.300 -0.152 0.000 1.340 578 I CB -0.396 37.472 38.000 -0.219 0.000 1.036 578 I HN 0.338 nan 8.210 nan 0.000 0.417 579 V N -0.603 119.332 119.914 0.034 0.000 2.871 579 V HA -0.129 4.004 4.120 0.022 0.000 0.256 579 V C 2.317 178.484 176.094 0.122 0.000 1.082 579 V CA 1.889 64.261 62.300 0.120 0.000 1.105 579 V CB -0.071 31.846 31.823 0.158 0.000 0.713 579 V HN 0.484 nan 8.190 nan 0.000 0.473 580 S N 0.199 115.922 115.700 0.037 0.000 2.368 580 S HA -0.222 4.261 4.470 0.022 0.000 0.224 580 S C 2.020 176.588 174.600 -0.054 0.000 1.029 580 S CA 1.599 59.823 58.200 0.039 0.000 0.988 580 S CB -1.237 61.999 63.200 0.060 0.000 0.838 580 S HN 0.764 nan 8.310 nan 0.000 0.462 581 C N 1.892 121.063 119.300 -0.215 0.000 2.411 581 C HA 0.077 4.550 4.460 0.022 0.000 0.279 581 C C 2.509 177.228 174.990 -0.452 0.000 1.288 581 C CA 0.074 58.783 59.018 -0.515 0.000 1.764 581 C CB -1.522 25.707 27.740 -0.852 0.000 1.974 581 C HN 0.537 nan 8.230 nan 0.000 0.498 582 I N 0.694 121.145 120.570 -0.198 0.000 2.353 582 I HA -0.149 4.034 4.170 0.022 0.000 0.248 582 I C 2.751 178.745 176.117 -0.206 0.000 1.119 582 I CA 1.334 62.558 61.300 -0.127 0.000 1.417 582 I CB -0.534 37.475 38.000 0.016 0.000 1.078 582 I HN 0.283 nan 8.210 nan 0.000 0.421 583 S N 0.779 116.347 115.700 -0.220 0.000 2.359 583 S HA -0.293 4.190 4.470 0.022 0.000 0.224 583 S C 1.774 176.285 174.600 -0.150 0.000 1.035 583 S CA 2.310 60.312 58.200 -0.331 0.000 1.018 583 S CB -0.312 62.897 63.200 0.014 0.000 0.876 583 S HN 0.500 nan 8.310 nan 0.000 0.448 584 D N -0.411 119.970 120.400 -0.032 0.000 2.123 584 D HA -0.144 4.509 4.640 0.022 0.000 0.196 584 D C 1.693 178.069 176.300 0.127 0.000 0.992 584 D CA 1.268 55.308 54.000 0.067 0.000 0.833 584 D CB -0.372 40.524 40.800 0.160 0.000 0.954 584 D HN 0.480 nan 8.370 nan 0.000 0.455 585 F N 0.313 120.254 119.950 -0.015 0.000 2.293 585 F HA -0.004 4.536 4.527 0.022 0.000 0.300 585 F C 1.617 177.441 175.800 0.040 0.000 1.086 585 F CA 0.950 58.989 58.000 0.065 0.000 1.375 585 F CB 0.026 39.025 39.000 -0.001 0.000 1.045 585 F HN 0.013 nan 8.300 nan 0.000 0.516 586 L N -0.489 120.662 121.223 -0.121 0.000 2.095 586 L HA -0.119 4.234 4.340 0.022 0.000 0.204 586 L C 2.091 178.847 176.870 -0.190 0.000 1.080 586 L CA 0.993 55.702 54.840 -0.218 0.000 0.759 586 L CB -1.026 40.891 42.059 -0.237 0.000 0.914 586 L HN -0.074 nan 8.230 nan 0.000 0.439 587 D N -0.283 120.047 120.400 -0.117 0.000 2.104 587 D HA -0.261 4.392 4.640 0.022 0.000 0.194 587 D C 2.016 178.277 176.300 -0.065 0.000 0.994 587 D CA 1.520 55.478 54.000 -0.070 0.000 0.830 587 D CB -0.444 40.348 40.800 -0.013 0.000 0.959 587 D HN 0.284 nan 8.370 nan 0.000 0.452 588 Y N 0.708 120.890 120.300 -0.197 0.000 2.165 588 Y HA -0.176 4.387 4.550 0.022 0.000 0.286 588 Y C 2.056 177.772 175.900 -0.307 0.000 1.155 588 Y CA 1.388 59.360 58.100 -0.213 0.000 1.164 588 Y CB -0.122 38.220 38.460 -0.196 0.000 0.978 588 Y HN -0.112 nan 8.280 nan 0.000 0.513 589 M N -0.699 118.640 119.600 -0.435 0.000 2.561 589 M HA 0.200 4.693 4.480 0.022 0.000 0.238 589 M C 1.565 177.651 176.300 -0.356 0.000 1.131 589 M CA 1.039 56.020 55.300 -0.532 0.000 1.046 589 M CB -1.090 31.128 32.600 -0.635 0.000 1.532 589 M HN 0.500 nan 8.290 nan 0.000 0.497 590 G N 2.382 111.024 108.800 -0.264 0.000 2.160 590 G HA2 -0.220 3.753 3.960 0.022 0.000 0.251 590 G HA3 -0.220 3.753 3.960 0.022 0.000 0.251 590 G C 0.538 175.344 174.900 -0.157 0.000 1.008 590 G CA 0.565 45.553 45.100 -0.186 0.000 0.724 590 G HN 0.651 nan 8.290 nan 0.000 0.514 591 I N -2.350 118.121 120.570 -0.165 0.000 3.856 591 I HA 0.514 4.697 4.170 0.022 0.000 0.330 591 I C 0.482 176.538 176.117 -0.103 0.000 1.546 591 I CA -0.623 60.602 61.300 -0.126 0.000 1.132 591 I CB 0.132 38.058 38.000 -0.124 0.000 1.157 591 I HN 0.068 nan 8.210 nan 0.000 0.440 592 K N 1.837 122.174 120.400 -0.105 0.000 2.326 592 K HA 0.524 4.857 4.320 0.022 0.000 0.275 592 K C 0.912 177.489 176.600 -0.038 0.000 1.018 592 K CA 1.289 57.522 56.287 -0.090 0.000 0.962 592 K CB 0.804 33.243 32.500 -0.102 0.000 0.953 592 K HN 0.484 nan 8.250 nan 0.000 0.475 593 G N 3.471 112.270 108.800 -0.001 0.000 2.475 593 G HA2 -0.167 3.806 3.960 0.022 0.000 0.198 593 G HA3 -0.167 3.806 3.960 0.022 0.000 0.198 593 G C -2.009 172.905 174.900 0.025 0.000 2.226 593 G CA -0.452 44.658 45.100 0.018 0.000 1.626 593 G HN 0.650 nan 8.290 nan 0.000 0.534 594 P HA 0.328 nan 4.420 nan 0.000 0.258 594 P C 0.157 177.471 177.300 0.024 0.000 1.172 594 P CA 0.150 63.251 63.100 0.002 0.000 0.762 594 P CB 0.370 32.057 31.700 -0.021 0.000 0.764 595 R N 3.583 124.100 120.500 0.028 0.000 2.484 595 R HA 0.262 4.615 4.340 0.022 0.000 0.293 595 R C -0.109 176.208 176.300 0.029 0.000 1.023 595 R CA 0.373 56.499 56.100 0.044 0.000 1.037 595 R CB 0.114 30.433 30.300 0.033 0.000 0.951 595 R HN 0.518 nan 8.270 nan 0.000 0.418 596 M N 6.133 125.761 119.600 0.048 0.000 2.457 596 M HA 0.417 4.910 4.480 0.022 0.000 0.300 596 M C -2.265 174.073 176.300 0.063 0.000 1.141 596 M CA -2.194 53.123 55.300 0.028 0.000 0.901 596 M CB 2.860 35.476 32.600 0.026 0.000 1.687 596 M HN 0.446 nan 8.290 nan 0.000 0.449 597 P HA 0.273 nan 4.420 nan 0.000 0.279 597 P C -1.628 175.795 177.300 0.205 0.000 1.239 597 P CA -0.494 62.693 63.100 0.145 0.000 0.789 597 P CB 1.235 33.059 31.700 0.206 0.000 0.933 598 L N 2.657 123.990 121.223 0.183 0.000 2.408 598 L HA 0.718 5.071 4.340 0.022 0.000 0.268 598 L C -0.442 176.523 176.870 0.157 0.000 0.986 598 L CA -0.614 54.324 54.840 0.164 0.000 0.820 598 L CB 1.551 43.675 42.059 0.107 0.000 1.303 598 L HN 0.537 nan 8.230 nan 0.000 0.411 599 G N 3.686 112.576 108.800 0.150 0.000 2.370 599 G HA2 0.430 4.403 3.960 0.022 0.000 0.317 599 G HA3 0.430 4.403 3.960 0.022 0.000 0.317 599 G C -1.399 173.640 174.900 0.231 0.000 1.162 599 G CA -0.244 44.941 45.100 0.142 0.000 0.922 599 G HN 0.412 nan 8.290 nan 0.000 0.454 600 F N 3.492 123.491 119.950 0.082 0.000 2.303 600 F HA 0.435 4.975 4.527 0.021 0.000 0.368 600 F C 0.309 176.198 175.800 0.149 0.000 1.105 600 F CA -1.281 56.790 58.000 0.119 0.000 1.153 600 F CB 0.957 40.019 39.000 0.103 0.000 1.362 600 F HN 0.206 nan 8.300 nan 0.000 0.511 601 T N 7.624 122.463 114.554 0.475 0.000 2.739 601 T HA 0.184 4.547 4.350 0.022 0.000 0.298 601 T C -0.854 174.006 174.700 0.266 0.000 0.929 601 T CA 0.162 62.411 62.100 0.247 0.000 1.014 601 T CB -0.469 68.501 68.868 0.169 0.000 0.914 601 T HN 0.368 nan 8.240 nan 0.000 0.509 602 F N 3.195 123.056 119.950 -0.147 0.000 2.430 602 F HA 0.390 4.930 4.527 0.022 0.000 0.362 602 F C 0.555 176.311 175.800 -0.074 0.000 1.103 602 F CA -0.907 56.987 58.000 -0.177 0.000 1.045 602 F CB 1.246 39.826 39.000 -0.701 0.000 1.276 602 F HN 0.331 nan 8.300 nan 0.000 0.444 603 S N 6.365 121.786 115.700 -0.465 0.000 3.544 603 S HA 0.293 4.776 4.470 0.022 0.000 0.227 603 S C -0.857 172.977 174.600 -1.277 0.000 1.387 603 S CA 0.217 57.985 58.200 -0.720 0.000 1.182 603 S CB -1.119 61.670 63.200 -0.685 0.000 1.243 603 S HN 0.427 nan 8.310 nan 0.000 0.467 604 F N 1.165 120.859 119.950 -0.427 0.000 2.626 604 F HA 0.450 4.990 4.527 0.021 0.000 0.311 604 F C -2.403 173.313 175.800 -0.141 0.000 1.088 604 F CA -2.571 55.257 58.000 -0.287 0.000 0.949 604 F CB 1.084 39.808 39.000 -0.459 0.000 1.322 604 F HN -0.081 nan 8.300 nan 0.000 0.461 605 P HA 0.178 nan 4.420 nan 0.000 0.271 605 P C -0.978 176.383 177.300 0.101 0.000 1.220 605 P CA 0.061 63.220 63.100 0.097 0.000 0.768 605 P CB 0.726 32.486 31.700 0.102 0.000 0.848 606 C N 2.923 122.280 119.300 0.095 0.000 2.609 606 C HA 0.349 4.822 4.460 0.022 0.000 0.313 606 C C 0.049 175.088 174.990 0.080 0.000 1.175 606 C CA -0.305 58.767 59.018 0.091 0.000 1.434 606 C CB 1.650 29.458 27.740 0.114 0.000 2.005 606 C HN 0.513 nan 8.230 nan 0.000 0.471 607 Q N 2.055 121.896 119.800 0.068 0.000 2.314 607 Q HA 0.349 4.702 4.340 0.022 0.000 0.257 607 Q C -0.595 175.457 176.000 0.087 0.000 0.975 607 Q CA 0.794 56.644 55.803 0.079 0.000 0.933 607 Q CB 0.482 29.261 28.738 0.068 0.000 1.195 607 Q HN 0.700 nan 8.270 nan 0.000 0.426 608 Q N 1.620 121.504 119.800 0.140 0.000 2.307 608 Q HA 0.281 4.634 4.340 0.022 0.000 0.262 608 Q C 0.093 176.266 176.000 0.289 0.000 0.961 608 Q CA -0.168 55.745 55.803 0.184 0.000 0.882 608 Q CB 1.494 30.394 28.738 0.271 0.000 1.264 608 Q HN 0.842 nan 8.270 nan 0.000 0.446 609 T N -2.118 112.475 114.554 0.066 0.000 3.086 609 T HA 0.196 4.559 4.350 0.022 0.000 0.250 609 T C 0.331 174.663 174.700 -0.614 0.000 1.074 609 T CA 0.244 62.331 62.100 -0.021 0.000 0.988 609 T CB 0.042 68.887 68.868 -0.038 0.000 0.988 609 T HN 0.552 nan 8.240 nan 0.000 0.530 610 S N -0.592 114.558 115.700 -0.917 0.000 2.701 610 S HA 0.298 4.781 4.470 0.022 0.000 0.267 610 S C 0.087 174.324 174.600 -0.605 0.000 1.034 610 S CA -0.671 56.662 58.200 -1.446 0.000 0.867 610 S CB 0.501 63.277 63.200 -0.707 0.000 1.123 610 S HN -0.019 nan 8.310 nan 0.000 0.470 611 L N 1.655 122.644 121.223 -0.390 0.000 2.089 611 L HA -0.025 4.328 4.340 0.022 0.000 0.213 611 L C 1.573 178.405 176.870 -0.063 0.000 1.079 611 L CA 2.932 57.720 54.840 -0.086 0.000 0.758 611 L CB -0.859 41.184 42.059 -0.026 0.000 0.891 611 L HN 0.949 nan 8.230 nan 0.000 0.433 612 D N -1.953 118.388 120.400 -0.099 0.000 2.463 612 D HA 0.307 4.960 4.640 0.022 0.000 0.224 612 D C 0.208 176.480 176.300 -0.047 0.000 1.174 612 D CA 0.409 54.384 54.000 -0.042 0.000 0.829 612 D CB 0.210 40.993 40.800 -0.029 0.000 0.993 612 D HN 0.249 nan 8.370 nan 0.000 0.497 613 A N -0.478 122.299 122.820 -0.072 0.000 2.515 613 A HA 0.786 5.119 4.320 0.022 0.000 0.298 613 A C -0.424 177.136 177.584 -0.040 0.000 1.059 613 A CA -0.382 51.619 52.037 -0.060 0.000 0.698 613 A CB 2.070 21.024 19.000 -0.077 0.000 1.289 613 A HN 0.254 nan 8.150 nan 0.000 0.404 614 G N 1.422 110.201 108.800 -0.036 0.000 2.505 614 G HA2 0.545 4.517 3.960 0.022 0.000 0.292 614 G HA3 0.545 4.517 3.960 0.022 0.000 0.292 614 G C -0.666 174.220 174.900 -0.024 0.000 1.332 614 G CA -0.492 44.603 45.100 -0.009 0.000 1.286 614 G HN 1.160 nan 8.290 nan 0.000 0.606 615 I N 1.307 121.874 120.570 -0.006 0.000 2.371 615 I HA 0.481 4.664 4.170 0.022 0.000 0.290 615 I C 0.113 176.229 176.117 -0.003 0.000 1.028 615 I CA -0.861 60.429 61.300 -0.016 0.000 1.345 615 I CB 1.576 39.566 38.000 -0.017 0.000 1.407 615 I HN 0.338 nan 8.210 nan 0.000 0.501 616 L N 7.078 128.283 121.223 -0.029 0.000 2.500 616 L HA 0.151 4.504 4.340 0.022 0.000 0.272 616 L C 0.720 177.555 176.870 -0.059 0.000 1.149 616 L CA 0.625 55.434 54.840 -0.052 0.000 0.897 616 L CB 0.247 42.182 42.059 -0.208 0.000 1.178 616 L HN 0.637 nan 8.230 nan 0.000 0.473 617 I N 2.517 123.079 120.570 -0.013 0.000 2.193 617 I HA -0.037 4.146 4.170 0.022 0.000 0.240 617 I C 1.034 177.145 176.117 -0.009 0.000 1.084 617 I CA 1.095 62.398 61.300 0.004 0.000 1.365 617 I CB -0.231 37.794 38.000 0.042 0.000 1.064 617 I HN 0.735 nan 8.210 nan 0.000 0.410 618 T N -1.616 112.936 114.554 -0.003 0.000 2.868 618 T HA 0.302 4.665 4.350 0.022 0.000 0.306 618 T C -2.032 172.694 174.700 0.044 0.000 1.224 618 T CA -0.621 61.492 62.100 0.022 0.000 1.012 618 T CB 0.843 69.775 68.868 0.107 0.000 1.221 618 T HN 0.128 nan 8.240 nan 0.000 0.499 619 W N 2.439 123.783 121.300 0.074 0.000 2.190 619 W HA 0.449 5.122 4.660 0.022 0.000 0.330 619 W C 1.015 177.637 176.519 0.172 0.000 1.299 619 W CA -0.513 56.867 57.345 0.059 0.000 1.215 619 W CB 1.050 30.539 29.460 0.048 0.000 1.147 619 W HN 0.820 nan 8.180 nan 0.000 0.563 620 T N 0.096 115.032 114.554 0.636 0.000 2.864 620 T HA 0.596 4.959 4.350 0.022 0.000 0.289 620 T C -0.037 174.967 174.700 0.506 0.000 1.082 620 T CA -0.844 61.538 62.100 0.470 0.000 1.009 620 T CB 2.217 71.313 68.868 0.380 0.000 1.234 620 T HN 0.609 nan 8.240 nan 0.000 0.526 621 K N -0.652 119.982 120.400 0.389 0.000 1.882 621 K HA -0.217 4.116 4.320 0.022 0.000 0.199 621 K C 1.369 178.128 176.600 0.266 0.000 1.562 621 K CA 1.152 57.638 56.287 0.332 0.000 0.515 621 K CB -1.781 30.887 32.500 0.280 0.000 0.682 621 K HN 0.950 nan 8.250 nan 0.000 0.843 622 G N 0.295 109.212 108.800 0.195 0.000 2.920 622 G HA2 0.144 4.117 3.960 0.022 0.000 0.208 622 G HA3 0.144 4.117 3.960 0.022 0.000 0.208 622 G C 0.039 174.844 174.900 -0.158 0.000 1.159 622 G CA -0.053 45.058 45.100 0.017 0.000 0.784 622 G HN 0.185 nan 8.290 nan 0.000 0.535 623 F N 0.237 120.037 119.950 -0.251 0.000 2.399 623 F HA 0.499 5.039 4.527 0.022 0.000 0.342 623 F C 1.015 176.212 175.800 -1.005 0.000 1.106 623 F CA 0.118 57.646 58.000 -0.786 0.000 1.196 623 F CB 1.552 39.724 39.000 -1.379 0.000 1.163 623 F HN -0.172 nan 8.300 nan 0.000 0.547 624 K N 2.388 122.250 120.400 -0.897 0.000 3.506 624 K HA 0.349 4.682 4.320 0.022 0.000 0.166 624 K C -0.970 175.510 176.600 -0.199 0.000 1.003 624 K CA -0.245 55.717 56.287 -0.542 0.000 0.832 624 K CB 0.804 33.224 32.500 -0.133 0.000 0.733 624 K HN 0.594 nan 8.250 nan 0.000 0.471 625 A N 1.155 123.876 122.820 -0.166 0.000 2.363 625 A HA 0.339 4.672 4.320 0.022 0.000 0.270 625 A C 0.551 178.362 177.584 0.379 0.000 1.121 625 A CA -0.161 51.966 52.037 0.150 0.000 0.800 625 A CB 0.076 19.160 19.000 0.139 0.000 1.052 625 A HN 0.333 nan 8.150 nan 0.000 0.493 626 T N 0.576 115.253 114.554 0.205 0.000 2.919 626 T HA 0.394 4.757 4.350 0.022 0.000 0.302 626 T C -0.132 174.638 174.700 0.116 0.000 1.031 626 T CA 0.251 62.452 62.100 0.169 0.000 1.127 626 T CB 0.549 69.478 68.868 0.103 0.000 0.952 626 T HN 0.735 nan 8.240 nan 0.000 0.540 627 D N 0.226 120.669 120.400 0.072 0.000 3.051 627 D HA -0.153 4.500 4.640 0.022 0.000 0.218 627 D C 0.670 176.767 176.300 -0.339 0.000 1.129 627 D CA 0.553 54.508 54.000 -0.075 0.000 0.868 627 D CB -1.733 39.018 40.800 -0.082 0.000 1.100 627 D HN 0.696 nan 8.370 nan 0.000 0.429 628 C N -0.454 118.805 119.300 -0.067 0.000 2.519 628 C HA 0.120 4.593 4.460 0.022 0.000 0.297 628 C C 1.493 176.438 174.990 -0.076 0.000 1.414 628 C CA -0.091 58.862 59.018 -0.109 0.000 1.893 628 C CB -0.027 27.730 27.740 0.028 0.000 2.134 628 C HN 0.251 nan 8.230 nan 0.000 0.580 629 V N 2.069 121.900 119.914 -0.138 0.000 2.694 629 V HA 0.357 4.490 4.120 0.022 0.000 0.306 629 V C 1.489 177.616 176.094 0.056 0.000 1.054 629 V CA 2.213 64.444 62.300 -0.115 0.000 1.161 629 V CB 0.171 31.934 31.823 -0.100 0.000 0.916 629 V HN 0.919 nan 8.190 nan 0.000 0.490 630 G N 3.119 111.918 108.800 -0.001 0.000 2.267 630 G HA2 -0.230 3.743 3.960 0.022 0.000 0.257 630 G HA3 -0.230 3.743 3.960 0.022 0.000 0.257 630 G C 0.278 175.121 174.900 -0.094 0.000 0.998 630 G CA 0.341 45.418 45.100 -0.037 0.000 0.620 630 G HN 0.777 nan 8.290 nan 0.000 0.529 631 H N 0.804 119.822 119.070 -0.088 0.000 2.505 631 H HA 0.383 4.951 4.556 0.022 0.000 0.355 631 H C -0.644 174.612 175.328 -0.120 0.000 1.179 631 H CA -0.188 55.801 56.048 -0.098 0.000 1.343 631 H CB 1.261 30.959 29.762 -0.107 0.000 1.501 631 H HN 0.205 nan 8.280 nan 0.000 0.569 632 D N 1.727 122.125 120.400 -0.003 0.000 2.277 632 D HA 0.013 4.666 4.640 0.022 0.000 0.249 632 D C 1.305 177.525 176.300 -0.134 0.000 1.134 632 D CA -0.276 53.683 54.000 -0.067 0.000 0.863 632 D CB 1.648 42.406 40.800 -0.070 0.000 1.143 632 D HN 0.383 nan 8.370 nan 0.000 0.458 633 V N 2.546 122.350 119.914 -0.184 0.000 2.548 633 V HA -0.128 4.005 4.120 0.022 0.000 0.249 633 V C 2.012 177.998 176.094 -0.181 0.000 1.055 633 V CA 0.810 62.935 62.300 -0.291 0.000 1.065 633 V CB -0.659 30.838 31.823 -0.544 0.000 0.681 633 V HN 0.424 nan 8.190 nan 0.000 0.462 634 V N 1.388 121.258 119.914 -0.074 0.000 2.626 634 V HA -0.191 3.942 4.120 0.022 0.000 0.252 634 V C 2.711 178.753 176.094 -0.087 0.000 1.067 634 V CA 2.500 64.796 62.300 -0.006 0.000 1.081 634 V CB -1.139 30.698 31.823 0.023 0.000 0.686 634 V HN 0.687 nan 8.190 nan 0.000 0.468 635 T N 0.444 114.922 114.554 -0.126 0.000 2.770 635 T HA -0.032 4.331 4.350 0.022 0.000 0.263 635 T C 1.892 176.459 174.700 -0.220 0.000 1.039 635 T CA 1.247 63.267 62.100 -0.133 0.000 1.142 635 T CB -0.239 68.574 68.868 -0.093 0.000 0.868 635 T HN 0.307 nan 8.240 nan 0.000 0.435 636 L N 0.631 121.624 121.223 -0.383 0.000 2.127 636 L HA -0.071 4.282 4.340 0.022 0.000 0.211 636 L C 2.448 178.928 176.870 -0.650 0.000 1.089 636 L CA 0.662 55.114 54.840 -0.646 0.000 0.757 636 L CB -0.643 40.672 42.059 -1.240 0.000 0.899 636 L HN 0.204 nan 8.230 nan 0.000 0.434 637 L N 0.215 121.124 121.223 -0.523 0.000 1.994 637 L HA -0.190 4.163 4.340 0.022 0.000 0.208 637 L C 2.722 179.516 176.870 -0.126 0.000 1.071 637 L CA 1.738 56.456 54.840 -0.202 0.000 0.745 637 L CB -0.492 41.518 42.059 -0.082 0.000 0.892 637 L HN 0.049 nan 8.230 nan 0.000 0.431 638 R N -0.179 120.249 120.500 -0.119 0.000 2.105 638 R HA -0.178 4.175 4.340 0.022 0.000 0.239 638 R C 1.924 178.166 176.300 -0.098 0.000 1.135 638 R CA 1.668 57.713 56.100 -0.092 0.000 0.967 638 R CB -0.582 29.674 30.300 -0.074 0.000 0.861 638 R HN 0.484 nan 8.270 nan 0.000 0.442 639 D N 0.443 120.777 120.400 -0.110 0.000 2.092 639 D HA -0.156 4.497 4.640 0.022 0.000 0.193 639 D C 1.808 178.065 176.300 -0.072 0.000 0.994 639 D CA 1.736 55.684 54.000 -0.087 0.000 0.828 639 D CB -0.452 40.297 40.800 -0.085 0.000 0.963 639 D HN 0.276 nan 8.370 nan 0.000 0.450 640 A N 0.488 123.275 122.820 -0.056 0.000 2.070 640 A HA -0.108 4.225 4.320 0.022 0.000 0.220 640 A C 2.329 179.874 177.584 -0.065 0.000 1.159 640 A CA 0.724 52.755 52.037 -0.011 0.000 0.656 640 A CB -0.672 18.378 19.000 0.084 0.000 0.800 640 A HN 0.223 nan 8.150 nan 0.000 0.453 641 I N -0.946 119.555 120.570 -0.114 0.000 2.439 641 I HA -0.210 3.973 4.170 0.022 0.000 0.251 641 I C 2.301 178.271 176.117 -0.245 0.000 1.139 641 I CA 1.271 62.425 61.300 -0.243 0.000 1.438 641 I CB -0.193 37.675 38.000 -0.220 0.000 1.085 641 I HN 0.307 nan 8.210 nan 0.000 0.427 642 K N 0.646 120.957 120.400 -0.149 0.000 2.076 642 K HA -0.038 4.295 4.320 0.022 0.000 0.204 642 K C 2.202 178.746 176.600 -0.093 0.000 1.051 642 K CA 0.786 57.002 56.287 -0.117 0.000 0.949 642 K CB -0.101 32.350 32.500 -0.082 0.000 0.726 642 K HN 0.189 nan 8.250 nan 0.000 0.443 643 R N 0.863 121.320 120.500 -0.072 0.000 2.096 643 R HA -0.161 4.192 4.340 0.022 0.000 0.240 643 R C 2.407 178.676 176.300 -0.052 0.000 1.139 643 R CA 1.657 57.730 56.100 -0.044 0.000 0.952 643 R CB -0.293 29.996 30.300 -0.019 0.000 0.854 643 R HN 0.122 nan 8.270 nan 0.000 0.436 644 R N 1.391 121.839 120.500 -0.087 0.000 2.105 644 R HA -0.193 4.160 4.340 0.022 0.000 0.239 644 R C 0.423 176.667 176.300 -0.094 0.000 1.135 644 R CA 1.576 57.622 56.100 -0.089 0.000 0.967 644 R CB -0.139 30.075 30.300 -0.143 0.000 0.861 644 R HN 0.158 nan 8.270 nan 0.000 0.442 645 E N -0.227 119.893 120.200 -0.134 0.000 2.238 645 E HA -0.308 4.055 4.350 0.022 0.000 0.219 645 E C -0.016 176.547 176.600 -0.063 0.000 1.275 645 E CA 1.121 57.464 56.400 -0.094 0.000 0.714 645 E CB -0.670 29.000 29.700 -0.051 0.000 1.154 645 E HN 0.724 nan 8.360 nan 0.000 0.363 646 E N -0.642 119.498 120.200 -0.100 0.000 3.376 646 E HA 0.230 4.593 4.350 0.022 0.000 0.294 646 E C 0.446 177.068 176.600 0.036 0.000 0.882 646 E CA -0.032 56.388 56.400 0.033 0.000 1.130 646 E CB -0.043 29.763 29.700 0.177 0.000 2.830 646 E HN 0.140 nan 8.360 nan 0.000 0.562 647 F N 1.020 120.973 119.950 0.005 0.000 2.284 647 F HA 0.624 5.164 4.527 0.021 0.000 0.297 647 F C -0.253 175.549 175.800 0.002 0.000 1.215 647 F CA -0.921 57.081 58.000 0.003 0.000 1.120 647 F CB 0.137 39.141 39.000 0.006 0.000 1.426 647 F HN 0.179 nan 8.300 nan 0.000 0.514 648 D N -0.301 120.168 120.400 0.115 0.000 2.819 648 D HA 0.641 5.294 4.640 0.022 0.000 0.232 648 D C -1.519 174.885 176.300 0.174 0.000 1.160 648 D CA -0.408 53.610 54.000 0.030 0.000 0.858 648 D CB 1.881 42.699 40.800 0.030 0.000 1.610 648 D HN 0.719 nan 8.370 nan 0.000 0.481 649 L N 0.527 121.820 121.223 0.116 0.000 2.502 649 L HA 0.744 5.097 4.340 0.022 0.000 0.253 649 L C -1.210 175.701 176.870 0.068 0.000 1.070 649 L CA -0.999 53.914 54.840 0.122 0.000 0.871 649 L CB 1.117 43.281 42.059 0.174 0.000 1.487 649 L HN 0.203 nan 8.230 nan 0.000 0.408 650 D N 0.249 120.690 120.400 0.069 0.000 2.464 650 D HA 0.475 5.128 4.640 0.022 0.000 0.243 650 D C -0.988 175.353 176.300 0.069 0.000 1.104 650 D CA -0.256 53.776 54.000 0.055 0.000 0.883 650 D CB 1.222 42.053 40.800 0.051 0.000 1.050 650 D HN 0.516 nan 8.370 nan 0.000 0.524 651 V N 4.187 124.134 119.914 0.055 0.000 2.521 651 V HA 0.073 4.206 4.120 0.022 0.000 0.286 651 V C 1.275 177.410 176.094 0.069 0.000 1.034 651 V CA -0.204 62.138 62.300 0.070 0.000 1.045 651 V CB 1.297 33.157 31.823 0.061 0.000 0.974 651 V HN 0.538 nan 8.190 nan 0.000 0.480 652 V N 3.486 123.453 119.914 0.088 0.000 3.635 652 V HA 0.540 4.673 4.120 0.022 0.000 0.266 652 V C 0.621 176.750 176.094 0.058 0.000 1.316 652 V CA 0.923 63.264 62.300 0.068 0.000 1.060 652 V CB 0.503 32.379 31.823 0.090 0.000 0.820 652 V HN 0.953 nan 8.190 nan 0.000 0.447 653 A N -0.298 122.575 122.820 0.088 0.000 2.577 653 A HA 0.729 5.062 4.320 0.022 0.000 0.297 653 A C -1.507 176.156 177.584 0.133 0.000 1.060 653 A CA -0.331 51.754 52.037 0.080 0.000 0.697 653 A CB 1.856 20.891 19.000 0.058 0.000 1.281 653 A HN -0.045 nan 8.150 nan 0.000 0.402 654 V N 1.751 121.720 119.914 0.091 0.000 2.487 654 V HA 0.716 4.849 4.120 0.022 0.000 0.298 654 V C -0.522 175.599 176.094 0.045 0.000 1.028 654 V CA -0.544 61.792 62.300 0.059 0.000 0.860 654 V CB 1.449 33.244 31.823 -0.047 0.000 0.991 654 V HN 0.826 nan 8.190 nan 0.000 0.427 655 V N 3.700 123.641 119.914 0.045 0.000 2.925 655 V HA 0.456 4.589 4.120 0.022 0.000 0.311 655 V C -0.375 175.732 176.094 0.023 0.000 1.104 655 V CA -0.897 61.427 62.300 0.041 0.000 0.954 655 V CB 2.576 34.427 31.823 0.045 0.000 1.022 655 V HN 0.962 nan 8.190 nan 0.000 0.427 656 N N 2.268 120.968 118.700 -0.000 0.000 2.530 656 N HA 0.117 4.870 4.740 0.022 0.000 0.273 656 N C 1.063 176.541 175.510 -0.053 0.000 1.173 656 N CA -0.001 53.025 53.050 -0.040 0.000 0.967 656 N CB 1.122 39.580 38.487 -0.049 0.000 1.109 656 N HN 0.769 nan 8.380 nan 0.000 0.453 657 D N 1.084 121.434 120.400 -0.084 0.000 2.203 657 D HA -0.205 4.448 4.640 0.022 0.000 0.199 657 D C 1.222 177.475 176.300 -0.078 0.000 0.997 657 D CA 1.539 55.494 54.000 -0.075 0.000 0.863 657 D CB -0.757 39.982 40.800 -0.101 0.000 0.928 657 D HN 0.514 nan 8.370 nan 0.000 0.458 658 T N -0.218 114.278 114.554 -0.097 0.000 2.674 658 T HA -0.083 4.280 4.350 0.022 0.000 0.265 658 T C 2.067 176.717 174.700 -0.084 0.000 1.039 658 T CA 1.635 63.669 62.100 -0.110 0.000 1.150 658 T CB -0.288 68.499 68.868 -0.136 0.000 0.864 658 T HN 0.062 nan 8.240 nan 0.000 0.427 659 V N 0.999 120.874 119.914 -0.066 0.000 2.427 659 V HA -0.016 4.117 4.120 0.022 0.000 0.248 659 V C 2.840 178.910 176.094 -0.039 0.000 1.051 659 V CA 1.807 64.076 62.300 -0.051 0.000 1.048 659 V CB -1.278 30.523 31.823 -0.037 0.000 0.666 659 V HN 0.590 nan 8.190 nan 0.000 0.456 660 G N -0.181 108.600 108.800 -0.032 0.000 2.440 660 G HA2 -0.246 3.727 3.960 0.022 0.000 0.218 660 G HA3 -0.246 3.727 3.960 0.022 0.000 0.218 660 G C 1.690 176.571 174.900 -0.031 0.000 1.154 660 G CA 1.632 46.717 45.100 -0.026 0.000 0.767 660 G HN 0.475 nan 8.290 nan 0.000 0.552 661 T N 0.807 115.336 114.554 -0.041 0.000 2.777 661 T HA -0.083 4.280 4.350 0.022 0.000 0.266 661 T C 2.250 176.929 174.700 -0.036 0.000 1.040 661 T CA 1.243 63.318 62.100 -0.042 0.000 1.141 661 T CB -0.203 68.628 68.868 -0.062 0.000 0.868 661 T HN 0.248 nan 8.240 nan 0.000 0.444 662 M N 0.459 120.032 119.600 -0.045 0.000 2.080 662 M HA -0.134 4.359 4.480 0.022 0.000 0.260 662 M C 2.079 178.368 176.300 -0.018 0.000 1.068 662 M CA 1.731 57.008 55.300 -0.039 0.000 1.109 662 M CB -0.231 32.340 32.600 -0.048 0.000 1.342 662 M HN 0.144 nan 8.290 nan 0.000 0.405 663 M N -0.356 119.235 119.600 -0.015 0.000 2.086 663 M HA -0.147 4.346 4.480 0.022 0.000 0.261 663 M C 2.156 178.474 176.300 0.030 0.000 1.067 663 M CA 1.845 57.147 55.300 0.003 0.000 1.116 663 M CB -1.777 30.817 32.600 -0.011 0.000 1.348 663 M HN 0.320 nan 8.290 nan 0.000 0.407 664 T N 0.810 115.369 114.554 0.009 0.000 2.565 664 T HA -0.248 4.115 4.350 0.022 0.000 0.265 664 T C 1.963 176.707 174.700 0.073 0.000 1.082 664 T CA 2.093 64.203 62.100 0.016 0.000 1.173 664 T CB -0.614 68.250 68.868 -0.007 0.000 0.864 664 T HN 0.440 nan 8.240 nan 0.000 0.425 665 C N 1.233 120.560 119.300 0.044 0.000 2.422 665 C HA 0.151 4.624 4.460 0.022 0.000 0.279 665 C C 3.096 178.117 174.990 0.052 0.000 1.305 665 C CA 0.305 59.350 59.018 0.045 0.000 1.757 665 C CB -1.422 26.326 27.740 0.013 0.000 1.962 665 C HN 0.686 nan 8.230 nan 0.000 0.499 666 A N -1.397 121.451 122.820 0.046 0.000 2.169 666 A HA -0.036 4.297 4.320 0.022 0.000 0.212 666 A C 1.742 179.358 177.584 0.054 0.000 1.153 666 A CA 0.413 52.467 52.037 0.027 0.000 0.756 666 A CB -0.817 18.188 19.000 0.008 0.000 0.813 666 A HN 0.662 nan 8.150 nan 0.000 0.471 667 Y N 0.624 120.913 120.300 -0.019 0.000 2.348 667 Y HA -0.218 4.345 4.550 0.022 0.000 0.285 667 Y C 1.782 177.677 175.900 -0.009 0.000 1.173 667 Y CA 2.314 60.406 58.100 -0.014 0.000 1.263 667 Y CB 0.021 38.474 38.460 -0.012 0.000 0.974 667 Y HN 0.408 nan 8.280 nan 0.000 0.547 668 E N -0.928 119.230 120.200 -0.070 0.000 2.541 668 E HA 0.119 4.482 4.350 0.022 0.000 0.219 668 E C -0.459 176.092 176.600 -0.082 0.000 0.922 668 E CA 0.018 56.328 56.400 -0.149 0.000 1.095 668 E CB 0.573 30.247 29.700 -0.042 0.000 1.112 668 E HN 0.105 nan 8.360 nan 0.000 0.516 669 E N 0.318 120.493 120.200 -0.043 0.000 2.267 669 E HA 0.185 4.548 4.350 0.022 0.000 0.248 669 E C -2.260 174.318 176.600 -0.037 0.000 0.899 669 E CA -2.033 54.346 56.400 -0.035 0.000 0.764 669 E CB 1.672 31.361 29.700 -0.019 0.000 1.227 669 E HN -0.006 nan 8.360 nan 0.000 0.421 670 P HA -0.082 nan 4.420 nan 0.000 0.226 670 P C 1.073 178.353 177.300 -0.033 0.000 1.153 670 P CA 1.041 64.118 63.100 -0.038 0.000 0.777 670 P CB 0.279 31.955 31.700 -0.039 0.000 0.794 671 T N -3.878 110.655 114.554 -0.035 0.000 3.055 671 T HA -0.067 4.296 4.350 0.022 0.000 0.265 671 T C 1.059 175.731 174.700 -0.046 0.000 1.111 671 T CA 0.110 62.187 62.100 -0.039 0.000 1.118 671 T CB -1.333 67.510 68.868 -0.042 0.000 0.909 671 T HN 0.127 nan 8.240 nan 0.000 0.501 672 C N 3.708 122.981 119.300 -0.045 0.000 2.459 672 C HA 0.274 4.747 4.460 0.022 0.000 0.358 672 C C 1.157 176.121 174.990 -0.043 0.000 1.162 672 C CA -0.627 58.359 59.018 -0.053 0.000 1.559 672 C CB -1.512 26.203 27.740 -0.041 0.000 2.132 672 C HN 0.480 nan 8.230 nan 0.000 0.536 673 E N 3.283 123.458 120.200 -0.041 0.000 2.538 673 E HA 0.187 4.549 4.350 0.022 0.000 0.207 673 E C -0.256 176.344 176.600 0.001 0.000 1.002 673 E CA 0.085 56.473 56.400 -0.020 0.000 0.952 673 E CB 0.842 30.541 29.700 -0.001 0.000 1.031 673 E HN 0.590 nan 8.360 nan 0.000 0.476 674 V N 0.239 120.138 119.914 -0.025 0.000 2.876 674 V HA 0.676 4.809 4.120 0.022 0.000 0.312 674 V C 0.078 176.136 176.094 -0.060 0.000 1.085 674 V CA -1.049 61.240 62.300 -0.018 0.000 0.945 674 V CB 2.081 33.873 31.823 -0.052 0.000 1.017 674 V HN 0.145 nan 8.190 nan 0.000 0.428 675 G N 2.234 110.989 108.800 -0.074 0.000 2.643 675 G HA2 0.667 4.640 3.960 0.022 0.000 0.305 675 G HA3 0.667 4.640 3.960 0.022 0.000 0.305 675 G C -2.023 172.783 174.900 -0.157 0.000 1.387 675 G CA -0.512 44.527 45.100 -0.102 0.000 0.982 675 G HN 0.520 nan 8.290 nan 0.000 0.501 676 L N 3.114 124.247 121.223 -0.150 0.000 2.356 676 L HA 0.662 5.015 4.340 0.022 0.000 0.277 676 L C -0.947 175.817 176.870 -0.177 0.000 0.996 676 L CA -1.180 53.550 54.840 -0.183 0.000 0.822 676 L CB 1.610 43.630 42.059 -0.065 0.000 1.256 676 L HN 0.353 nan 8.230 nan 0.000 0.413 677 I N 6.304 126.764 120.570 -0.184 0.000 2.362 677 I HA 0.395 4.578 4.170 0.022 0.000 0.289 677 I C -0.572 175.512 176.117 -0.056 0.000 0.994 677 I CA -0.579 60.645 61.300 -0.128 0.000 1.158 677 I CB 1.752 39.678 38.000 -0.123 0.000 1.315 677 I HN 0.265 nan 8.210 nan 0.000 0.451 678 V N 6.242 126.123 119.914 -0.056 0.000 2.320 678 V HA 0.689 4.822 4.120 0.022 0.000 0.268 678 V C 0.507 176.548 176.094 -0.088 0.000 1.021 678 V CA -0.190 62.078 62.300 -0.053 0.000 0.813 678 V CB 0.813 32.564 31.823 -0.120 0.000 1.054 678 V HN 1.021 nan 8.190 nan 0.000 0.444 679 G N 2.030 110.791 108.800 -0.065 0.000 3.354 679 G HA2 0.246 4.219 3.960 0.022 0.000 0.174 679 G HA3 0.246 4.219 3.960 0.022 0.000 0.174 679 G C 0.840 175.703 174.900 -0.062 0.000 1.140 679 G CA 0.711 45.771 45.100 -0.067 0.000 0.897 679 G HN 0.262 nan 8.290 nan 0.000 0.685 680 T N 0.637 115.158 114.554 -0.056 0.000 2.684 680 T HA 0.149 4.512 4.350 0.022 0.000 0.267 680 T C 1.213 175.895 174.700 -0.031 0.000 1.036 680 T CA 1.731 63.792 62.100 -0.065 0.000 1.148 680 T CB -0.476 68.364 68.868 -0.046 0.000 0.863 680 T HN 0.700 nan 8.240 nan 0.000 0.436 681 G N -0.392 108.411 108.800 0.005 0.000 2.932 681 G HA2 0.574 4.547 3.960 0.022 0.000 0.283 681 G HA3 0.574 4.547 3.960 0.022 0.000 0.283 681 G C -1.301 173.649 174.900 0.083 0.000 1.336 681 G CA -0.465 44.688 45.100 0.088 0.000 1.056 681 G HN 0.226 nan 8.290 nan 0.000 0.522 682 S N -0.589 115.208 115.700 0.162 0.000 2.538 682 S HA 0.692 5.175 4.470 0.022 0.000 0.288 682 S C -0.978 173.772 174.600 0.251 0.000 1.108 682 S CA -0.731 57.600 58.200 0.219 0.000 0.971 682 S CB 1.679 65.072 63.200 0.321 0.000 1.041 682 S HN 0.844 nan 8.310 nan 0.000 0.483 683 N N 1.373 120.026 118.700 -0.079 0.000 3.046 683 N HA 0.767 5.520 4.740 0.022 0.000 0.243 683 N C -1.827 173.152 175.510 -0.885 0.000 1.452 683 N CA 0.023 52.782 53.050 -0.485 0.000 0.882 683 N CB 1.671 40.061 38.487 -0.163 0.000 1.425 683 N HN 0.937 nan 8.380 nan 0.000 0.517 684 A N -0.161 122.086 122.820 -0.956 0.000 2.587 684 A HA 0.786 5.119 4.320 0.022 0.000 0.293 684 A C -0.981 176.413 177.584 -0.316 0.000 1.087 684 A CA -0.355 51.237 52.037 -0.743 0.000 0.692 684 A CB 0.212 18.483 19.000 -1.214 0.000 1.291 684 A HN 1.386 nan 8.150 nan 0.000 0.407 685 C N -0.627 118.577 119.300 -0.160 0.000 2.994 685 C HA 1.022 5.495 4.460 0.022 0.000 0.305 685 C C -1.238 173.810 174.990 0.096 0.000 1.251 685 C CA -0.829 58.176 59.018 -0.022 0.000 1.478 685 C CB 0.647 28.341 27.740 -0.078 0.000 1.922 685 C HN 1.919 nan 8.230 nan 0.000 0.472 686 Y N 0.374 120.618 120.300 -0.093 0.000 2.638 686 Y HA 0.765 5.328 4.550 0.022 0.000 0.335 686 Y C -0.955 174.907 175.900 -0.062 0.000 1.155 686 Y CA -2.116 55.938 58.100 -0.076 0.000 1.046 686 Y CB 0.786 39.208 38.460 -0.064 0.000 1.303 686 Y HN 0.658 nan 8.280 nan 0.000 0.460 687 M N 3.071 122.537 119.600 -0.223 0.000 2.220 687 M HA 0.229 4.722 4.480 0.022 0.000 0.343 687 M C -0.420 175.655 176.300 -0.374 0.000 1.470 687 M CA 0.213 55.350 55.300 -0.271 0.000 1.161 687 M CB -0.057 32.482 32.600 -0.102 0.000 1.737 687 M HN 0.825 nan 8.290 nan 0.000 0.464 688 E N 2.918 122.811 120.200 -0.512 0.000 2.214 688 E HA 0.304 4.667 4.350 0.022 0.000 0.274 688 E C -0.724 175.785 176.600 -0.152 0.000 0.977 688 E CA -0.415 55.782 56.400 -0.339 0.000 0.827 688 E CB 1.012 30.448 29.700 -0.441 0.000 1.130 688 E HN 0.328 nan 8.360 nan 0.000 0.394 689 E N 4.147 124.311 120.200 -0.060 0.000 2.360 689 E HA 0.019 4.382 4.350 0.022 0.000 0.269 689 E C 0.807 177.373 176.600 -0.057 0.000 1.022 689 E CA -0.046 56.327 56.400 -0.045 0.000 0.887 689 E CB 0.574 30.266 29.700 -0.014 0.000 0.990 689 E HN 0.673 nan 8.360 nan 0.000 0.426 690 M N 2.265 121.829 119.600 -0.060 0.000 2.229 690 M HA -0.154 4.338 4.480 0.022 0.000 0.264 690 M C 1.783 178.055 176.300 -0.046 0.000 1.063 690 M CA 1.226 56.486 55.300 -0.066 0.000 1.114 690 M CB -0.519 32.042 32.600 -0.065 0.000 1.387 690 M HN 0.451 nan 8.290 nan 0.000 0.420 691 K N -0.406 119.976 120.400 -0.031 0.000 2.362 691 K HA -0.184 4.149 4.320 0.022 0.000 0.202 691 K C 0.928 177.517 176.600 -0.018 0.000 1.045 691 K CA 1.377 57.651 56.287 -0.021 0.000 0.936 691 K CB -0.447 32.045 32.500 -0.013 0.000 0.747 691 K HN 0.332 nan 8.250 nan 0.000 0.467 692 N N 0.828 119.517 118.700 -0.018 0.000 2.409 692 N HA 0.011 4.764 4.740 0.022 0.000 0.174 692 N C 0.063 175.564 175.510 -0.016 0.000 1.037 692 N CA 0.404 53.450 53.050 -0.006 0.000 0.898 692 N CB 0.433 38.928 38.487 0.013 0.000 1.010 692 N HN -0.026 nan 8.380 nan 0.000 0.445 693 V N 3.126 123.013 119.914 -0.045 0.000 2.149 693 V HA 0.058 4.191 4.120 0.022 0.000 0.245 693 V C 1.248 177.303 176.094 -0.065 0.000 1.349 693 V CA 0.042 62.302 62.300 -0.065 0.000 1.289 693 V CB -0.533 31.220 31.823 -0.117 0.000 1.401 693 V HN 0.155 nan 8.190 nan 0.000 0.501 694 E N 2.457 122.631 120.200 -0.045 0.000 2.273 694 E HA -0.195 4.168 4.350 0.022 0.000 0.198 694 E C 1.572 178.130 176.600 -0.070 0.000 1.002 694 E CA 1.059 57.431 56.400 -0.047 0.000 0.828 694 E CB 0.026 29.708 29.700 -0.031 0.000 0.747 694 E HN 0.622 nan 8.360 nan 0.000 0.491 695 M N 0.480 120.021 119.600 -0.099 0.000 2.495 695 M HA 0.086 4.578 4.480 0.022 0.000 0.237 695 M C 0.001 176.246 176.300 -0.092 0.000 1.131 695 M CA 0.396 55.625 55.300 -0.119 0.000 1.032 695 M CB 0.667 33.152 32.600 -0.192 0.000 1.513 695 M HN -0.206 nan 8.290 nan 0.000 0.488 696 V N 1.332 121.189 119.914 -0.095 0.000 2.409 696 V HA 0.226 4.359 4.120 0.022 0.000 0.290 696 V C 0.238 176.301 176.094 -0.052 0.000 1.017 696 V CA -1.108 61.139 62.300 -0.087 0.000 0.841 696 V CB 1.857 33.561 31.823 -0.198 0.000 1.003 696 V HN 0.183 nan 8.190 nan 0.000 0.426 697 E N 3.104 123.294 120.200 -0.016 0.000 2.465 697 E HA 0.415 4.778 4.350 0.022 0.000 0.260 697 E C 0.617 177.212 176.600 -0.008 0.000 0.980 697 E CA 0.904 57.299 56.400 -0.009 0.000 0.927 697 E CB 1.098 30.801 29.700 0.005 0.000 0.934 697 E HN 1.087 nan 8.360 nan 0.000 0.459 698 G N 2.998 111.790 108.800 -0.013 0.000 3.101 698 G HA2 -0.043 3.930 3.960 0.022 0.000 0.672 698 G HA3 -0.043 3.930 3.960 0.022 0.000 0.672 698 G C -0.434 174.453 174.900 -0.023 0.000 1.331 698 G CA -0.269 44.824 45.100 -0.012 0.000 0.925 698 G HN 0.633 nan 8.290 nan 0.000 0.596 699 D N -0.409 119.981 120.400 -0.018 0.000 2.535 699 D HA 0.189 4.842 4.640 0.022 0.000 0.229 699 D C 0.689 176.978 176.300 -0.019 0.000 1.238 699 D CA 0.178 54.166 54.000 -0.020 0.000 0.824 699 D CB 0.202 40.993 40.800 -0.015 0.000 1.045 699 D HN 0.791 nan 8.370 nan 0.000 0.500 700 Q N 0.146 119.935 119.800 -0.018 0.000 2.333 700 Q HA 0.562 4.915 4.340 0.022 0.000 0.265 700 Q C 0.496 176.484 176.000 -0.021 0.000 0.989 700 Q CA -0.725 55.068 55.803 -0.016 0.000 0.842 700 Q CB 2.038 30.771 28.738 -0.009 0.000 1.262 700 Q HN 0.124 nan 8.270 nan 0.000 0.451 701 G N 2.311 111.098 108.800 -0.022 0.000 2.709 701 G HA2 -0.209 3.764 3.960 0.022 0.000 0.228 701 G HA3 -0.209 3.764 3.960 0.022 0.000 0.228 701 G C -0.814 174.062 174.900 -0.040 0.000 1.215 701 G CA -0.111 44.973 45.100 -0.027 0.000 1.003 701 G HN 0.724 nan 8.290 nan 0.000 0.584 702 Q N -1.226 118.543 119.800 -0.052 0.000 2.648 702 Q HA 0.730 5.083 4.340 0.022 0.000 0.300 702 Q C -0.812 175.128 176.000 -0.101 0.000 0.954 702 Q CA -0.636 55.121 55.803 -0.076 0.000 0.757 702 Q CB 2.424 31.121 28.738 -0.068 0.000 1.482 702 Q HN 1.304 nan 8.270 nan 0.000 0.437 703 M N 0.306 119.820 119.600 -0.143 0.000 2.389 703 M HA 0.380 4.873 4.480 0.022 0.000 0.291 703 M C -2.172 173.995 176.300 -0.223 0.000 1.128 703 M CA -0.355 54.842 55.300 -0.173 0.000 0.942 703 M CB 1.787 34.261 32.600 -0.209 0.000 1.783 703 M HN 0.778 nan 8.290 nan 0.000 0.501 704 C N 5.634 124.821 119.300 -0.188 0.000 2.585 704 C HA 0.636 5.109 4.460 0.022 0.000 0.406 704 C C -0.326 174.530 174.990 -0.223 0.000 1.312 704 C CA -0.422 58.471 59.018 -0.209 0.000 1.924 704 C CB -0.659 27.005 27.740 -0.126 0.000 2.578 704 C HN 0.687 nan 8.230 nan 0.000 0.580 705 I N 6.373 126.768 120.570 -0.292 0.000 2.330 705 I HA 0.212 4.395 4.170 0.022 0.000 0.289 705 I C 0.125 176.184 176.117 -0.097 0.000 1.001 705 I CA -0.010 61.168 61.300 -0.203 0.000 1.193 705 I CB 1.085 38.911 38.000 -0.289 0.000 1.345 705 I HN 0.697 nan 8.210 nan 0.000 0.461 706 N N 6.460 125.129 118.700 -0.051 0.000 2.402 706 N HA 0.171 4.924 4.740 0.022 0.000 0.252 706 N C 0.711 176.231 175.510 0.017 0.000 1.118 706 N CA 0.070 53.104 53.050 -0.026 0.000 0.945 706 N CB 0.858 39.336 38.487 -0.016 0.000 1.147 706 N HN 0.536 nan 8.380 nan 0.000 0.495 707 M N 1.581 121.201 119.600 0.034 0.000 2.213 707 M HA -0.044 4.449 4.480 0.022 0.000 0.263 707 M C 0.053 176.424 176.300 0.119 0.000 1.062 707 M CA 0.948 56.308 55.300 0.100 0.000 1.105 707 M CB -0.033 32.656 32.600 0.149 0.000 1.385 707 M HN 0.466 nan 8.290 nan 0.000 0.417 708 E N -0.202 120.060 120.200 0.103 0.000 2.252 708 E HA -0.245 4.118 4.350 0.022 0.000 0.218 708 E C 0.165 176.924 176.600 0.266 0.000 1.253 708 E CA 0.754 57.242 56.400 0.147 0.000 0.705 708 E CB -1.770 27.994 29.700 0.107 0.000 1.172 708 E HN 0.809 nan 8.360 nan 0.000 0.369 709 W N -0.413 120.946 121.300 0.099 0.000 2.525 709 W HA 0.142 4.815 4.660 0.022 0.000 0.259 709 W C 1.504 178.199 176.519 0.294 0.000 1.253 709 W CA 1.006 58.433 57.345 0.137 0.000 1.262 709 W CB -1.226 28.315 29.460 0.135 0.000 1.122 709 W HN 0.150 nan 8.180 nan 0.000 0.607 710 G N 1.035 110.207 108.800 0.621 0.000 2.471 710 G HA2 -0.053 3.920 3.960 0.022 0.000 0.219 710 G HA3 -0.053 3.920 3.960 0.022 0.000 0.219 710 G C 1.678 176.775 174.900 0.328 0.000 1.125 710 G CA 1.172 46.552 45.100 0.466 0.000 0.775 710 G HN 0.433 nan 8.290 nan 0.000 0.548 711 A N 0.018 123.000 122.820 0.271 0.000 2.235 711 A HA 0.373 4.705 4.320 0.022 0.000 0.208 711 A C 0.753 178.449 177.584 0.187 0.000 1.172 711 A CA -0.547 51.598 52.037 0.181 0.000 0.786 711 A CB -0.387 18.695 19.000 0.136 0.000 0.804 711 A HN 0.267 nan 8.150 nan 0.000 0.479 712 F N 1.156 121.115 119.950 0.015 0.000 2.608 712 F HA 0.369 4.909 4.527 0.022 0.000 0.380 712 F C 1.346 177.098 175.800 -0.079 0.000 1.083 712 F CA 0.783 58.709 58.000 -0.124 0.000 1.266 712 F CB 0.017 38.763 39.000 -0.424 0.000 1.076 712 F HN 0.383 nan 8.300 nan 0.000 0.574 713 G N 4.195 112.821 108.800 -0.290 0.000 2.157 713 G HA2 -0.303 3.670 3.960 0.022 0.000 0.248 713 G HA3 -0.303 3.670 3.960 0.022 0.000 0.248 713 G C 0.692 175.518 174.900 -0.123 0.000 0.979 713 G CA 0.341 45.253 45.100 -0.313 0.000 0.650 713 G HN 0.621 nan 8.290 nan 0.000 0.529 714 D N 0.223 120.597 120.400 -0.042 0.000 2.347 714 D HA 0.040 4.693 4.640 0.022 0.000 0.215 714 D C 2.156 178.441 176.300 -0.025 0.000 0.976 714 D CA 1.128 55.116 54.000 -0.019 0.000 0.884 714 D CB -0.277 40.532 40.800 0.016 0.000 0.915 714 D HN 0.857 nan 8.370 nan 0.000 0.526 715 N N -1.306 117.375 118.700 -0.032 0.000 2.356 715 N HA 0.114 4.867 4.740 0.022 0.000 0.178 715 N C 1.376 176.859 175.510 -0.045 0.000 1.075 715 N CA 0.555 53.588 53.050 -0.028 0.000 0.889 715 N CB 1.023 39.501 38.487 -0.015 0.000 0.999 715 N HN 0.114 nan 8.380 nan 0.000 0.464 716 G N 0.207 108.963 108.800 -0.073 0.000 2.624 716 G HA2 -0.217 3.756 3.960 0.022 0.000 0.190 716 G HA3 -0.217 3.756 3.960 0.022 0.000 0.190 716 G C 0.703 175.535 174.900 -0.114 0.000 1.008 716 G CA -0.140 44.910 45.100 -0.083 0.000 0.731 716 G HN 0.341 nan 8.290 nan 0.000 0.478 717 C N 1.423 120.644 119.300 -0.131 0.000 2.479 717 C HA 0.348 4.821 4.460 0.022 0.000 0.292 717 C C 2.102 176.940 174.990 -0.253 0.000 1.497 717 C CA 1.332 60.259 59.018 -0.151 0.000 1.714 717 C CB -1.549 26.132 27.740 -0.098 0.000 1.610 717 C HN 0.474 nan 8.230 nan 0.000 0.589 718 L N -1.152 119.902 121.223 -0.281 0.000 2.858 718 L HA 0.172 4.525 4.340 0.022 0.000 0.251 718 L C 1.618 178.390 176.870 -0.164 0.000 1.149 718 L CA 0.101 54.780 54.840 -0.269 0.000 0.955 718 L CB -0.290 41.543 42.059 -0.377 0.000 1.289 718 L HN 0.036 nan 8.230 nan 0.000 0.542 719 D N 1.021 121.341 120.400 -0.133 0.000 2.220 719 D HA -0.264 4.389 4.640 0.022 0.000 0.198 719 D C 1.576 177.823 176.300 -0.088 0.000 1.001 719 D CA 1.462 55.402 54.000 -0.100 0.000 0.875 719 D CB 0.081 40.831 40.800 -0.082 0.000 0.921 719 D HN 0.255 nan 8.370 nan 0.000 0.454 720 D N -0.024 120.327 120.400 -0.083 0.000 2.149 720 D HA -0.161 4.492 4.640 0.022 0.000 0.194 720 D C 2.005 178.268 176.300 -0.060 0.000 1.001 720 D CA 0.984 54.945 54.000 -0.065 0.000 0.849 720 D CB -0.063 40.696 40.800 -0.068 0.000 0.939 720 D HN 0.508 nan 8.370 nan 0.000 0.449 721 I N -3.328 117.195 120.570 -0.079 0.000 4.139 721 I HA 0.253 4.436 4.170 0.022 0.000 0.335 721 I C 0.109 176.161 176.117 -0.109 0.000 1.327 721 I CA -0.410 60.844 61.300 -0.077 0.000 1.112 721 I CB 0.365 38.326 38.000 -0.065 0.000 1.058 721 I HN -0.312 nan 8.210 nan 0.000 0.396 722 R N 2.752 123.186 120.500 -0.110 0.000 2.438 722 R HA 0.299 4.652 4.340 0.022 0.000 0.287 722 R C 0.388 176.604 176.300 -0.139 0.000 1.077 722 R CA 0.354 56.386 56.100 -0.114 0.000 1.034 722 R CB 0.996 31.238 30.300 -0.096 0.000 0.993 722 R HN 0.405 nan 8.270 nan 0.000 0.459 723 T N -2.455 112.006 114.554 -0.155 0.000 2.937 723 T HA 0.077 4.440 4.350 0.022 0.000 0.283 723 T C 1.331 175.968 174.700 -0.106 0.000 1.012 723 T CA -0.727 61.272 62.100 -0.168 0.000 0.997 723 T CB 1.386 70.125 68.868 -0.215 0.000 1.136 723 T HN 0.729 nan 8.240 nan 0.000 0.551 724 H N 0.065 118.945 119.070 -0.317 0.000 2.321 724 H HA -0.209 4.360 4.556 0.021 0.000 0.295 724 H C 1.452 176.560 175.328 -0.366 0.000 1.102 724 H CA 2.551 58.344 56.048 -0.425 0.000 1.266 724 H CB -0.204 29.106 29.762 -0.754 0.000 1.363 724 H HN 0.792 nan 8.280 nan 0.000 0.492 725 Y N 1.085 121.389 120.300 0.007 0.000 2.224 725 Y HA -0.167 4.395 4.550 0.020 0.000 0.289 725 Y C 2.582 178.485 175.900 0.005 0.000 1.146 725 Y CA 1.020 59.118 58.100 -0.004 0.000 1.182 725 Y CB -0.289 38.277 38.460 0.177 0.000 0.983 725 Y HN 0.279 nan 8.280 nan 0.000 0.524 726 D N 0.117 120.599 120.400 0.137 0.000 2.117 726 D HA -0.113 4.540 4.640 0.022 0.000 0.198 726 D C 2.085 178.376 176.300 -0.014 0.000 0.982 726 D CA 1.033 55.071 54.000 0.064 0.000 0.828 726 D CB -0.260 40.553 40.800 0.022 0.000 0.967 726 D HN 0.384 nan 8.370 nan 0.000 0.464 727 R N 0.298 120.757 120.500 -0.069 0.000 2.092 727 R HA 0.021 4.374 4.340 0.022 0.000 0.231 727 R C 2.606 178.845 176.300 -0.101 0.000 1.119 727 R CA 0.412 56.457 56.100 -0.093 0.000 0.970 727 R CB -0.225 30.012 30.300 -0.105 0.000 0.864 727 R HN 0.202 nan 8.270 nan 0.000 0.440 728 L N 0.117 121.259 121.223 -0.135 0.000 2.046 728 L HA -0.167 4.186 4.340 0.022 0.000 0.208 728 L C 2.378 179.300 176.870 0.087 0.000 1.077 728 L CA 1.016 55.823 54.840 -0.055 0.000 0.747 728 L CB -0.478 41.531 42.059 -0.083 0.000 0.896 728 L HN 0.022 nan 8.230 nan 0.000 0.432 729 V N 0.299 120.265 119.914 0.086 0.000 2.343 729 V HA -0.284 3.849 4.120 0.022 0.000 0.247 729 V C 2.291 178.448 176.094 0.104 0.000 1.051 729 V CA 2.133 64.517 62.300 0.140 0.000 1.036 729 V CB -0.698 31.211 31.823 0.143 0.000 0.654 729 V HN 0.516 nan 8.190 nan 0.000 0.451 730 N N 0.389 119.098 118.700 0.016 0.000 2.084 730 N HA -0.200 4.553 4.740 0.022 0.000 0.190 730 N C 1.796 177.290 175.510 -0.027 0.000 1.030 730 N CA 1.636 54.669 53.050 -0.028 0.000 0.849 730 N CB -0.216 38.234 38.487 -0.062 0.000 1.012 730 N HN 0.356 nan 8.380 nan 0.000 0.423 731 E N -0.858 119.293 120.200 -0.081 0.000 2.153 731 E HA -0.095 4.267 4.350 0.022 0.000 0.194 731 E C 0.625 177.097 176.600 -0.213 0.000 0.988 731 E CA 0.979 57.265 56.400 -0.190 0.000 0.811 731 E CB -0.307 29.191 29.700 -0.337 0.000 0.746 731 E HN 0.518 nan 8.360 nan 0.000 0.466 732 Y N -0.129 120.180 120.300 0.015 0.000 2.470 732 Y HA 0.214 4.777 4.550 0.022 0.000 0.284 732 Y C 0.638 176.567 175.900 0.050 0.000 1.188 732 Y CA -0.033 58.085 58.100 0.029 0.000 1.269 732 Y CB -0.204 38.274 38.460 0.030 0.000 1.094 732 Y HN -0.076 nan 8.280 nan 0.000 0.518 733 S N -1.572 114.223 115.700 0.158 0.000 2.713 733 S HA 0.284 4.767 4.470 0.022 0.000 0.283 733 S C 1.067 175.741 174.600 0.124 0.000 1.161 733 S CA -0.683 57.613 58.200 0.159 0.000 0.999 733 S CB 1.088 64.382 63.200 0.157 0.000 1.039 733 S HN 0.270 nan 8.310 nan 0.000 0.548 734 L N 0.860 122.163 121.223 0.133 0.000 2.191 734 L HA -0.053 4.300 4.340 0.022 0.000 0.212 734 L C 0.931 177.868 176.870 0.111 0.000 1.103 734 L CA 1.272 56.177 54.840 0.108 0.000 0.769 734 L CB -0.813 41.306 42.059 0.100 0.000 0.908 734 L HN 0.865 nan 8.230 nan 0.000 0.438 735 N N -0.487 118.283 118.700 0.118 0.000 2.723 735 N HA 0.440 5.193 4.740 0.022 0.000 0.290 735 N C -0.180 175.365 175.510 0.060 0.000 1.882 735 N CA -0.441 52.670 53.050 0.102 0.000 0.851 735 N CB 0.845 39.416 38.487 0.139 0.000 1.234 735 N HN -0.011 nan 8.380 nan 0.000 0.491 736 A N 0.576 123.419 122.820 0.038 0.000 2.598 736 A HA 0.373 4.706 4.320 0.022 0.000 0.239 736 A C 1.656 179.241 177.584 0.001 0.000 1.032 736 A CA 1.114 53.153 52.037 0.004 0.000 0.760 736 A CB -0.616 18.375 19.000 -0.015 0.000 0.946 736 A HN 1.142 nan 8.150 nan 0.000 0.512 737 G N 1.705 110.495 108.800 -0.017 0.000 2.241 737 G HA2 -0.231 3.741 3.960 0.022 0.000 0.244 737 G HA3 -0.231 3.741 3.960 0.022 0.000 0.244 737 G C 0.363 175.260 174.900 -0.005 0.000 0.998 737 G CA 0.924 46.015 45.100 -0.015 0.000 0.621 737 G HN 0.914 nan 8.290 nan 0.000 0.519 738 K N -0.372 120.033 120.400 0.008 0.000 2.280 738 K HA 0.661 4.994 4.320 0.022 0.000 0.234 738 K C 0.658 177.267 176.600 0.015 0.000 1.028 738 K CA -0.538 55.766 56.287 0.028 0.000 0.882 738 K CB 0.626 33.164 32.500 0.063 0.000 1.194 738 K HN 0.059 nan 8.250 nan 0.000 0.458 739 Q N 0.564 120.397 119.800 0.054 0.000 2.435 739 Q HA -0.312 4.040 4.340 0.022 0.000 0.286 739 Q C 0.425 176.423 176.000 -0.004 0.000 1.229 739 Q CA 0.754 56.597 55.803 0.067 0.000 0.884 739 Q CB -1.445 27.337 28.738 0.074 0.000 1.245 739 Q HN 0.617 nan 8.270 nan 0.000 0.488 740 R N -0.549 119.953 120.500 0.003 0.000 2.083 740 R HA -0.173 4.180 4.340 0.022 0.000 0.237 740 R C 1.873 178.181 176.300 0.014 0.000 1.137 740 R CA 1.811 57.890 56.100 -0.034 0.000 0.951 740 R CB -0.310 29.961 30.300 -0.048 0.000 0.851 740 R HN 0.420 nan 8.270 nan 0.000 0.434 741 Y N 1.970 122.226 120.300 -0.073 0.000 2.181 741 Y HA -0.232 4.331 4.550 0.022 0.000 0.288 741 Y C 2.329 178.227 175.900 -0.004 0.000 1.146 741 Y CA 1.871 59.936 58.100 -0.058 0.000 1.164 741 Y CB -0.332 38.132 38.460 0.008 0.000 0.982 741 Y HN 0.137 nan 8.280 nan 0.000 0.515 742 E N 0.366 120.604 120.200 0.064 0.000 2.118 742 E HA -0.241 4.122 4.350 0.022 0.000 0.195 742 E C 1.806 178.398 176.600 -0.012 0.000 0.992 742 E CA 1.613 58.038 56.400 0.042 0.000 0.804 742 E CB -0.167 29.631 29.700 0.164 0.000 0.741 742 E HN 0.512 nan 8.360 nan 0.000 0.458 743 K N -0.243 120.051 120.400 -0.178 0.000 2.362 743 K HA -0.048 4.285 4.320 0.022 0.000 0.200 743 K C 1.680 178.250 176.600 -0.050 0.000 1.046 743 K CA 1.140 57.236 56.287 -0.318 0.000 0.952 743 K CB 0.006 32.186 32.500 -0.533 0.000 0.753 743 K HN 0.328 nan 8.250 nan 0.000 0.466 744 M N -0.195 119.390 119.600 -0.026 0.000 2.428 744 M HA 0.153 4.646 4.480 0.022 0.000 0.239 744 M C 1.254 177.568 176.300 0.025 0.000 1.121 744 M CA 0.565 55.880 55.300 0.026 0.000 1.019 744 M CB 0.305 32.913 32.600 0.013 0.000 1.485 744 M HN 0.086 nan 8.290 nan 0.000 0.484 745 I N -1.733 118.847 120.570 0.016 0.000 3.518 745 I HA 0.101 4.284 4.170 0.022 0.000 0.260 745 I C 1.008 177.184 176.117 0.098 0.000 1.148 745 I CA 0.062 61.397 61.300 0.058 0.000 1.440 745 I CB 0.200 38.184 38.000 -0.027 0.000 1.485 745 I HN -0.035 nan 8.210 nan 0.000 0.456 746 S N 0.996 116.773 115.700 0.127 0.000 2.596 746 S HA 0.137 4.620 4.470 0.022 0.000 0.260 746 S C 1.164 175.784 174.600 0.034 0.000 1.336 746 S CA 0.268 58.518 58.200 0.084 0.000 0.993 746 S CB 1.003 64.318 63.200 0.192 0.000 0.923 746 S HN 0.488 nan 8.310 nan 0.000 0.567 747 G N 0.110 108.880 108.800 -0.050 0.000 2.623 747 G HA2 -0.075 3.898 3.960 0.022 0.000 0.214 747 G HA3 -0.075 3.898 3.960 0.022 0.000 0.214 747 G C 1.151 175.971 174.900 -0.133 0.000 1.138 747 G CA 0.060 45.112 45.100 -0.080 0.000 0.794 747 G HN 0.619 nan 8.290 nan 0.000 0.535 748 M N -0.777 118.666 119.600 -0.262 0.000 2.319 748 M HA 0.102 4.595 4.480 0.022 0.000 0.265 748 M C 1.555 177.529 176.300 -0.544 0.000 1.068 748 M CA 1.272 56.279 55.300 -0.487 0.000 1.118 748 M CB 0.167 32.279 32.600 -0.814 0.000 1.395 748 M HN 0.317 nan 8.290 nan 0.000 0.435 749 Y N -1.242 119.083 120.300 0.042 0.000 2.535 749 Y HA 0.192 4.755 4.550 0.021 0.000 0.264 749 Y C 1.752 177.683 175.900 0.052 0.000 1.087 749 Y CA -0.085 58.047 58.100 0.054 0.000 1.285 749 Y CB -0.362 38.130 38.460 0.055 0.000 1.200 749 Y HN 0.017 nan 8.280 nan 0.000 0.514 750 L N -0.310 121.004 121.223 0.153 0.000 1.997 750 L HA -0.246 4.107 4.340 0.022 0.000 0.216 750 L C 2.452 179.361 176.870 0.065 0.000 1.074 750 L CA 1.992 56.888 54.840 0.094 0.000 0.763 750 L CB -1.096 40.990 42.059 0.045 0.000 0.890 750 L HN 0.411 nan 8.230 nan 0.000 0.434 751 G N -1.235 107.615 108.800 0.083 0.000 2.484 751 G HA2 -0.160 3.812 3.960 0.022 0.000 0.218 751 G HA3 -0.160 3.812 3.960 0.022 0.000 0.218 751 G C 1.447 176.446 174.900 0.165 0.000 1.130 751 G CA 0.074 45.246 45.100 0.120 0.000 0.784 751 G HN 0.285 nan 8.290 nan 0.000 0.543 752 E N 0.516 120.810 120.200 0.156 0.000 2.152 752 E HA -0.020 4.343 4.350 0.022 0.000 0.192 752 E C 2.546 179.230 176.600 0.141 0.000 0.983 752 E CA 0.300 56.799 56.400 0.165 0.000 0.818 752 E CB -0.080 29.731 29.700 0.185 0.000 0.758 752 E HN 0.522 nan 8.360 nan 0.000 0.467 753 I N 0.514 121.157 120.570 0.121 0.000 2.179 753 I HA -0.239 3.944 4.170 0.022 0.000 0.242 753 I C 2.447 178.547 176.117 -0.028 0.000 1.088 753 I CA 0.765 62.126 61.300 0.101 0.000 1.357 753 I CB -0.365 37.705 38.000 0.116 0.000 1.051 753 I HN -0.079 nan 8.210 nan 0.000 0.409 754 V N 0.743 120.586 119.914 -0.119 0.000 2.343 754 V HA -0.293 3.840 4.120 0.022 0.000 0.247 754 V C 2.657 178.644 176.094 -0.178 0.000 1.051 754 V CA 1.869 64.005 62.300 -0.273 0.000 1.036 754 V CB -0.749 30.813 31.823 -0.436 0.000 0.654 754 V HN 0.380 nan 8.190 nan 0.000 0.451 755 R N 0.039 120.546 120.500 0.011 0.000 2.091 755 R HA -0.178 4.175 4.340 0.022 0.000 0.238 755 R C 2.260 178.633 176.300 0.122 0.000 1.136 755 R CA 1.864 58.087 56.100 0.205 0.000 0.959 755 R CB -0.291 30.198 30.300 0.314 0.000 0.856 755 R HN 0.593 nan 8.270 nan 0.000 0.437 756 N N 0.372 119.132 118.700 0.098 0.000 2.188 756 N HA -0.131 4.622 4.740 0.022 0.000 0.184 756 N C 1.949 177.523 175.510 0.106 0.000 1.018 756 N CA 1.290 54.434 53.050 0.156 0.000 0.858 756 N CB -0.078 38.550 38.487 0.236 0.000 0.989 756 N HN 0.259 nan 8.380 nan 0.000 0.426 757 I N 1.601 122.044 120.570 -0.211 0.000 2.163 757 I HA -0.280 3.903 4.170 0.022 0.000 0.243 757 I C 2.196 178.047 176.117 -0.443 0.000 1.085 757 I CA 1.103 62.011 61.300 -0.653 0.000 1.347 757 I CB -0.310 37.156 38.000 -0.889 0.000 1.044 757 I HN 0.083 nan 8.210 nan 0.000 0.408 758 L N -0.145 120.977 121.223 -0.168 0.000 2.056 758 L HA -0.204 4.149 4.340 0.022 0.000 0.207 758 L C 2.601 179.556 176.870 0.141 0.000 1.078 758 L CA 0.828 55.687 54.840 0.031 0.000 0.749 758 L CB -0.556 41.607 42.059 0.173 0.000 0.901 758 L HN 0.199 nan 8.230 nan 0.000 0.433 759 I N 0.537 121.195 120.570 0.147 0.000 2.091 759 I HA -0.346 3.837 4.170 0.022 0.000 0.239 759 I C 2.290 178.499 176.117 0.152 0.000 1.061 759 I CA 1.595 62.991 61.300 0.160 0.000 1.317 759 I CB -1.072 37.011 38.000 0.139 0.000 1.031 759 I HN 0.271 nan 8.210 nan 0.000 0.401 760 D N 0.232 120.724 120.400 0.153 0.000 2.103 760 D HA -0.236 4.417 4.640 0.022 0.000 0.190 760 D C 2.169 178.602 176.300 0.222 0.000 0.997 760 D CA 1.438 55.548 54.000 0.183 0.000 0.833 760 D CB -0.185 40.763 40.800 0.246 0.000 0.961 760 D HN 0.169 nan 8.370 nan 0.000 0.447 761 F N 0.314 120.339 119.950 0.124 0.000 2.202 761 F HA -0.105 4.436 4.527 0.024 0.000 0.301 761 F C 2.740 178.509 175.800 -0.051 0.000 1.082 761 F CA 1.393 59.460 58.000 0.111 0.000 1.313 761 F CB -1.504 37.621 39.000 0.208 0.000 1.024 761 F HN 0.088 nan 8.300 nan 0.000 0.495 762 T N -1.003 113.669 114.554 0.197 0.000 2.904 762 T HA -0.137 4.226 4.350 0.022 0.000 0.267 762 T C 2.067 176.797 174.700 0.050 0.000 1.059 762 T CA 1.250 63.425 62.100 0.126 0.000 1.137 762 T CB -0.071 68.936 68.868 0.232 0.000 0.879 762 T HN 0.211 nan 8.240 nan 0.000 0.467 763 K N 0.426 120.850 120.400 0.040 0.000 2.057 763 K HA 0.043 4.376 4.320 0.022 0.000 0.206 763 K C 2.290 178.832 176.600 -0.097 0.000 1.050 763 K CA 1.118 57.407 56.287 0.003 0.000 0.935 763 K CB -0.016 32.501 32.500 0.027 0.000 0.715 763 K HN 0.344 nan 8.250 nan 0.000 0.439 764 K N -0.312 119.958 120.400 -0.217 0.000 2.555 764 K HA -0.010 4.323 4.320 0.022 0.000 0.193 764 K C 0.803 177.025 176.600 -0.630 0.000 1.032 764 K CA 0.596 56.578 56.287 -0.510 0.000 1.004 764 K CB 0.258 32.198 32.500 -0.934 0.000 0.804 764 K HN 0.389 nan 8.250 nan 0.000 0.496 765 G N 1.082 109.679 108.800 -0.339 0.000 2.148 765 G HA2 -0.246 3.727 3.960 0.022 0.000 0.254 765 G HA3 -0.246 3.727 3.960 0.022 0.000 0.254 765 G C 0.365 175.211 174.900 -0.090 0.000 0.981 765 G CA 0.004 44.998 45.100 -0.177 0.000 0.670 765 G HN 0.288 nan 8.290 nan 0.000 0.528 766 F N -0.540 119.406 119.950 -0.007 0.000 2.765 766 F HA 0.605 5.140 4.527 0.014 0.000 0.302 766 F C 1.048 176.783 175.800 -0.108 0.000 1.111 766 F CA -0.288 57.660 58.000 -0.087 0.000 1.359 766 F CB 0.424 39.288 39.000 -0.226 0.000 1.097 766 F HN 0.265 nan 8.300 nan 0.000 0.577 767 L N -0.826 120.428 121.223 0.051 0.000 2.731 767 L HA 0.232 4.585 4.340 0.022 0.000 0.256 767 L C -1.182 175.648 176.870 -0.067 0.000 0.947 767 L CA -0.510 54.248 54.840 -0.138 0.000 0.914 767 L CB 0.884 42.822 42.059 -0.202 0.000 1.470 767 L HN 0.035 nan 8.230 nan 0.000 0.421 768 F N 2.981 122.983 119.950 0.086 0.000 3.039 768 F HA -0.232 4.303 4.527 0.015 0.000 0.287 768 F C 1.447 177.275 175.800 0.047 0.000 0.956 768 F CA 1.172 59.209 58.000 0.063 0.000 0.971 768 F CB -1.915 37.126 39.000 0.068 0.000 0.943 768 F HN 0.846 nan 8.300 nan 0.000 0.766 769 R N -0.958 119.655 120.500 0.187 0.000 3.984 769 R HA -0.198 4.155 4.340 0.022 0.000 0.323 769 R C 1.593 177.952 176.300 0.097 0.000 1.258 769 R CA 1.932 58.102 56.100 0.116 0.000 0.998 769 R CB -1.469 28.889 30.300 0.098 0.000 1.389 769 R HN 1.647 nan 8.270 nan 0.000 0.565 770 G N -1.900 106.970 108.800 0.117 0.000 2.175 770 G HA2 -0.286 3.687 3.960 0.022 0.000 0.244 770 G HA3 -0.286 3.687 3.960 0.022 0.000 0.244 770 G C -0.352 174.601 174.900 0.089 0.000 0.982 770 G CA 0.217 45.366 45.100 0.082 0.000 0.641 770 G HN 0.261 nan 8.290 nan 0.000 0.527 771 Q N 0.328 120.193 119.800 0.109 0.000 2.274 771 Q HA 0.582 4.935 4.340 0.022 0.000 0.256 771 Q C 0.412 176.473 176.000 0.101 0.000 0.927 771 Q CA -0.275 55.577 55.803 0.081 0.000 0.939 771 Q CB 1.507 30.278 28.738 0.056 0.000 1.201 771 Q HN 0.526 nan 8.270 nan 0.000 0.426 772 I N 2.067 122.682 120.570 0.076 0.000 2.297 772 I HA 0.112 4.295 4.170 0.022 0.000 0.291 772 I C 0.831 176.962 176.117 0.023 0.000 1.033 772 I CA -0.316 61.029 61.300 0.076 0.000 1.253 772 I CB 0.842 38.886 38.000 0.074 0.000 1.396 772 I HN 0.544 nan 8.210 nan 0.000 0.476 773 S N 4.884 120.576 115.700 -0.013 0.000 2.713 773 S HA 0.309 4.792 4.470 0.022 0.000 0.277 773 S C 0.902 175.470 174.600 -0.053 0.000 1.168 773 S CA -0.592 57.577 58.200 -0.051 0.000 0.994 773 S CB 1.624 64.760 63.200 -0.106 0.000 1.054 773 S HN 0.538 nan 8.310 nan 0.000 0.555 774 E N 0.587 120.750 120.200 -0.061 0.000 2.274 774 E HA -0.030 4.333 4.350 0.022 0.000 0.194 774 E C 1.808 178.363 176.600 -0.075 0.000 0.996 774 E CA 1.032 57.397 56.400 -0.057 0.000 0.840 774 E CB -0.686 28.983 29.700 -0.052 0.000 0.772 774 E HN 0.742 nan 8.360 nan 0.000 0.491 775 T N 1.668 116.160 114.554 -0.104 0.000 2.732 775 T HA -0.098 4.265 4.350 0.022 0.000 0.261 775 T C 1.867 176.493 174.700 -0.124 0.000 1.040 775 T CA 0.576 62.596 62.100 -0.134 0.000 1.145 775 T CB -0.273 68.487 68.868 -0.180 0.000 0.866 775 T HN 0.046 nan 8.240 nan 0.000 0.427 776 L N 2.125 123.283 121.223 -0.108 0.000 2.187 776 L HA -0.062 4.291 4.340 0.022 0.000 0.213 776 L C 1.844 178.723 176.870 0.015 0.000 1.100 776 L CA 1.651 56.481 54.840 -0.016 0.000 0.765 776 L CB -0.511 41.576 42.059 0.046 0.000 0.904 776 L HN 0.266 nan 8.230 nan 0.000 0.437 777 K N -1.765 118.626 120.400 -0.015 0.000 2.469 777 K HA 0.158 4.491 4.320 0.022 0.000 0.201 777 K C -0.192 176.384 176.600 -0.039 0.000 1.028 777 K CA 0.056 56.332 56.287 -0.019 0.000 1.170 777 K CB -0.590 31.897 32.500 -0.023 0.000 0.874 777 K HN 0.162 nan 8.250 nan 0.000 0.507 778 T N 2.472 116.998 114.554 -0.046 0.000 2.743 778 T HA 0.245 4.608 4.350 0.022 0.000 0.292 778 T C -0.190 174.490 174.700 -0.034 0.000 0.972 778 T CA -0.731 61.338 62.100 -0.051 0.000 0.967 778 T CB 1.056 69.883 68.868 -0.069 0.000 0.926 778 T HN 0.198 nan 8.240 nan 0.000 0.459 779 R N 1.683 122.167 120.500 -0.026 0.000 2.585 779 R HA 0.359 4.712 4.340 0.022 0.000 0.275 779 R C 1.517 177.818 176.300 0.001 0.000 1.018 779 R CA 0.899 56.998 56.100 -0.002 0.000 1.072 779 R CB -0.044 30.254 30.300 -0.004 0.000 0.953 779 R HN 1.034 nan 8.270 nan 0.000 0.419 780 G N 2.019 110.837 108.800 0.030 0.000 2.213 780 G HA2 -0.293 3.680 3.960 0.022 0.000 0.236 780 G HA3 -0.293 3.680 3.960 0.022 0.000 0.236 780 G C 0.774 175.693 174.900 0.033 0.000 0.991 780 G CA 0.119 45.234 45.100 0.025 0.000 0.629 780 G HN 0.547 nan 8.290 nan 0.000 0.517 781 I N 0.465 121.018 120.570 -0.028 0.000 2.185 781 I HA -0.033 4.150 4.170 0.022 0.000 0.246 781 I C 1.252 177.309 176.117 -0.100 0.000 1.088 781 I CA 1.470 62.673 61.300 -0.161 0.000 1.347 781 I CB -0.235 37.555 38.000 -0.349 0.000 1.041 781 I HN 0.218 nan 8.210 nan 0.000 0.415 782 F N 1.477 121.512 119.950 0.142 0.000 2.509 782 F HA 0.266 4.804 4.527 0.019 0.000 0.344 782 F C 0.964 176.825 175.800 0.100 0.000 1.197 782 F CA -0.626 57.478 58.000 0.175 0.000 1.294 782 F CB -0.793 38.276 39.000 0.115 0.000 1.643 782 F HN -0.012 nan 8.300 nan 0.000 0.596 783 E N 0.118 120.442 120.200 0.207 0.000 2.422 783 E HA -0.001 4.362 4.350 0.022 0.000 0.260 783 E C 1.109 177.646 176.600 -0.105 0.000 1.108 783 E CA 0.090 56.456 56.400 -0.057 0.000 0.943 783 E CB 0.897 30.379 29.700 -0.364 0.000 0.961 783 E HN 0.406 nan 8.360 nan 0.000 0.443 784 T N 2.164 116.639 114.554 -0.131 0.000 2.803 784 T HA -0.186 4.177 4.350 0.022 0.000 0.269 784 T C 1.590 176.199 174.700 -0.153 0.000 1.052 784 T CA 1.459 63.501 62.100 -0.097 0.000 1.136 784 T CB -0.035 68.776 68.868 -0.095 0.000 0.864 784 T HN 0.465 nan 8.240 nan 0.000 0.467 785 K N 0.718 120.907 120.400 -0.352 0.000 2.062 785 K HA -0.035 4.298 4.320 0.022 0.000 0.205 785 K C 1.671 178.092 176.600 -0.299 0.000 1.051 785 K CA 1.295 57.346 56.287 -0.393 0.000 0.941 785 K CB -0.613 31.622 32.500 -0.442 0.000 0.719 785 K HN 0.344 nan 8.250 nan 0.000 0.440 786 F N 1.902 121.884 119.950 0.052 0.000 2.367 786 F HA 0.145 4.686 4.527 0.023 0.000 0.298 786 F C 2.201 178.059 175.800 0.097 0.000 1.094 786 F CA 0.132 58.178 58.000 0.075 0.000 1.409 786 F CB -0.844 38.218 39.000 0.103 0.000 1.064 786 F HN -0.166 nan 8.300 nan 0.000 0.528 787 L N -0.966 120.392 121.223 0.225 0.000 2.093 787 L HA -0.168 4.185 4.340 0.022 0.000 0.208 787 L C 2.497 179.417 176.870 0.084 0.000 1.085 787 L CA 1.075 56.018 54.840 0.171 0.000 0.755 787 L CB -0.865 41.292 42.059 0.163 0.000 0.904 787 L HN 0.044 nan 8.230 nan 0.000 0.435 788 S N -0.590 115.127 115.700 0.030 0.000 2.356 788 S HA -0.212 4.271 4.470 0.022 0.000 0.223 788 S C 1.983 176.514 174.600 -0.115 0.000 1.032 788 S CA 1.260 59.388 58.200 -0.121 0.000 1.005 788 S CB -0.171 62.978 63.200 -0.085 0.000 0.867 788 S HN 0.453 nan 8.310 nan 0.000 0.449 789 Q N 0.257 120.054 119.800 -0.004 0.000 2.084 789 Q HA -0.046 4.307 4.340 0.022 0.000 0.202 789 Q C 2.164 178.175 176.000 0.017 0.000 0.978 789 Q CA 1.243 57.057 55.803 0.018 0.000 0.844 789 Q CB -0.360 28.440 28.738 0.104 0.000 0.898 789 Q HN 0.487 nan 8.270 nan 0.000 0.426 790 I N 0.990 121.598 120.570 0.063 0.000 2.226 790 I HA -0.254 3.929 4.170 0.022 0.000 0.245 790 I C 1.716 177.845 176.117 0.020 0.000 1.100 790 I CA 1.329 62.668 61.300 0.064 0.000 1.374 790 I CB -0.048 38.016 38.000 0.107 0.000 1.057 790 I HN 0.185 nan 8.210 nan 0.000 0.413 791 E N 0.287 120.473 120.200 -0.022 0.000 2.489 791 E HA -0.002 4.361 4.350 0.022 0.000 0.193 791 E C 0.796 177.341 176.600 -0.092 0.000 1.057 791 E CA -0.022 56.361 56.400 -0.029 0.000 0.866 791 E CB 0.073 29.744 29.700 -0.048 0.000 0.916 791 E HN 0.439 nan 8.360 nan 0.000 0.500 792 S N 0.980 116.602 115.700 -0.130 0.000 2.572 792 S HA -0.021 4.462 4.470 0.022 0.000 0.279 792 S C 0.694 175.272 174.600 -0.037 0.000 1.341 792 S CA -0.530 57.583 58.200 -0.145 0.000 1.043 792 S CB 0.931 64.065 63.200 -0.111 0.000 0.887 792 S HN -0.004 nan 8.310 nan 0.000 0.516 793 D N 1.691 122.082 120.400 -0.015 0.000 2.347 793 D HA -0.015 4.638 4.640 0.022 0.000 0.215 793 D C 1.225 177.532 176.300 0.011 0.000 0.976 793 D CA 0.524 54.548 54.000 0.040 0.000 0.884 793 D CB -0.055 40.797 40.800 0.086 0.000 0.915 793 D HN 0.557 nan 8.370 nan 0.000 0.526 794 R N 0.458 120.953 120.500 -0.007 0.000 2.426 794 R HA 0.160 4.513 4.340 0.022 0.000 0.263 794 R C 0.002 176.300 176.300 -0.004 0.000 0.961 794 R CA -0.198 55.899 56.100 -0.006 0.000 1.086 794 R CB 0.418 30.711 30.300 -0.012 0.000 1.186 794 R HN 0.046 nan 8.270 nan 0.000 0.537 795 L N 1.634 122.856 121.223 -0.001 0.000 2.260 795 L HA 0.304 4.657 4.340 0.022 0.000 0.289 795 L C 0.501 177.374 176.870 0.005 0.000 1.057 795 L CA -0.143 54.699 54.840 0.002 0.000 0.811 795 L CB 1.069 43.131 42.059 0.004 0.000 1.184 795 L HN 0.058 nan 8.230 nan 0.000 0.429 796 A N 3.277 126.099 122.820 0.004 0.000 2.425 796 A HA 0.123 4.456 4.320 0.022 0.000 0.242 796 A C 0.978 178.567 177.584 0.008 0.000 1.077 796 A CA -0.314 51.726 52.037 0.005 0.000 0.781 796 A CB 0.422 19.424 19.000 0.003 0.000 1.020 796 A HN 0.751 nan 8.150 nan 0.000 0.494 797 L N 2.512 123.740 121.223 0.009 0.000 2.141 797 L HA -0.106 4.247 4.340 0.022 0.000 0.209 797 L C 1.863 178.742 176.870 0.015 0.000 1.094 797 L CA 1.506 56.354 54.840 0.013 0.000 0.763 797 L CB -0.509 41.557 42.059 0.012 0.000 0.908 797 L HN 0.749 nan 8.230 nan 0.000 0.437 798 L N -0.171 121.058 121.223 0.010 0.000 2.081 798 L HA -0.273 4.080 4.340 0.022 0.000 0.212 798 L C 2.443 179.319 176.870 0.010 0.000 1.080 798 L CA 2.428 57.273 54.840 0.009 0.000 0.754 798 L CB -0.695 41.367 42.059 0.004 0.000 0.893 798 L HN 0.615 nan 8.230 nan 0.000 0.433 799 Q N -1.071 118.735 119.800 0.009 0.000 2.172 799 Q HA -0.119 4.234 4.340 0.022 0.000 0.200 799 Q C 2.094 178.104 176.000 0.017 0.000 0.964 799 Q CA 1.368 57.177 55.803 0.010 0.000 0.855 799 Q CB 0.058 28.801 28.738 0.007 0.000 0.918 799 Q HN 0.367 nan 8.270 nan 0.000 0.444 800 V N 1.069 120.997 119.914 0.024 0.000 2.407 800 V HA -0.256 3.877 4.120 0.022 0.000 0.248 800 V C 2.544 178.665 176.094 0.044 0.000 1.055 800 V CA 2.104 64.427 62.300 0.038 0.000 1.049 800 V CB -0.700 31.146 31.823 0.039 0.000 0.662 800 V HN 0.416 nan 8.190 nan 0.000 0.455 801 R N 0.217 120.739 120.500 0.037 0.000 2.075 801 R HA -0.125 4.228 4.340 0.022 0.000 0.232 801 R C 2.318 178.630 176.300 0.020 0.000 1.126 801 R CA 1.674 57.798 56.100 0.040 0.000 0.963 801 R CB -0.464 29.856 30.300 0.034 0.000 0.858 801 R HN 0.479 nan 8.270 nan 0.000 0.435 802 A N 1.432 124.255 122.820 0.005 0.000 1.883 802 A HA -0.163 4.170 4.320 0.022 0.000 0.217 802 A C 2.289 179.852 177.584 -0.035 0.000 1.186 802 A CA 1.441 53.469 52.037 -0.014 0.000 0.624 802 A CB -0.566 18.427 19.000 -0.011 0.000 0.822 802 A HN 0.336 nan 8.150 nan 0.000 0.444 803 I N -0.982 119.571 120.570 -0.028 0.000 2.099 803 I HA -0.261 3.922 4.170 0.022 0.000 0.239 803 I C 2.359 178.416 176.117 -0.100 0.000 1.066 803 I CA 1.151 62.411 61.300 -0.066 0.000 1.324 803 I CB -0.329 37.662 38.000 -0.015 0.000 1.037 803 I HN 0.243 nan 8.210 nan 0.000 0.401 804 L N 0.376 121.583 121.223 -0.027 0.000 2.043 804 L HA -0.274 4.078 4.340 0.022 0.000 0.212 804 L C 2.575 179.399 176.870 -0.076 0.000 1.075 804 L CA 1.858 56.691 54.840 -0.011 0.000 0.752 804 L CB -1.007 41.111 42.059 0.099 0.000 0.891 804 L HN 0.327 nan 8.230 nan 0.000 0.432 805 Q N -1.592 118.173 119.800 -0.059 0.000 2.167 805 Q HA -0.209 4.144 4.340 0.022 0.000 0.202 805 Q C 2.144 178.077 176.000 -0.111 0.000 0.970 805 Q CA 0.795 56.551 55.803 -0.079 0.000 0.855 805 Q CB -0.106 28.604 28.738 -0.047 0.000 0.911 805 Q HN 0.477 nan 8.270 nan 0.000 0.438 806 Q N 1.075 120.800 119.800 -0.126 0.000 2.050 806 Q HA -0.085 4.268 4.340 0.022 0.000 0.202 806 Q C 2.154 178.027 176.000 -0.211 0.000 0.980 806 Q CA 1.250 56.960 55.803 -0.156 0.000 0.840 806 Q CB -0.410 28.224 28.738 -0.172 0.000 0.898 806 Q HN 0.401 nan 8.270 nan 0.000 0.424 807 L N -1.431 119.627 121.223 -0.276 0.000 2.187 807 L HA -0.122 4.231 4.340 0.022 0.000 0.213 807 L C 1.422 178.145 176.870 -0.245 0.000 1.100 807 L CA 1.106 55.750 54.840 -0.327 0.000 0.765 807 L CB -0.317 41.496 42.059 -0.410 0.000 0.904 807 L HN 0.492 nan 8.230 nan 0.000 0.437 808 G N -0.701 107.978 108.800 -0.201 0.000 2.159 808 G HA2 -0.172 3.801 3.960 0.022 0.000 0.170 808 G HA3 -0.172 3.801 3.960 0.022 0.000 0.170 808 G C -0.081 174.693 174.900 -0.210 0.000 1.007 808 G CA -0.640 44.352 45.100 -0.179 0.000 0.672 808 G HN 0.115 nan 8.290 nan 0.000 0.507 809 L N 1.320 122.405 121.223 -0.231 0.000 2.289 809 L HA 0.413 4.766 4.340 0.022 0.000 0.285 809 L C 0.700 177.426 176.870 -0.241 0.000 1.049 809 L CA -0.787 53.850 54.840 -0.338 0.000 0.804 809 L CB 1.462 43.304 42.059 -0.361 0.000 1.195 809 L HN 0.224 nan 8.230 nan 0.000 0.428 810 N N 2.437 120.975 118.700 -0.271 0.000 3.050 810 N HA -0.009 4.744 4.740 0.022 0.000 0.289 810 N C -0.629 174.900 175.510 0.031 0.000 1.209 810 N CA -0.060 52.930 53.050 -0.099 0.000 1.154 810 N CB 0.562 39.005 38.487 -0.073 0.000 1.444 810 N HN 0.466 nan 8.380 nan 0.000 0.529 811 S N 1.033 116.789 115.700 0.093 0.000 2.537 811 S HA 0.268 4.751 4.470 0.022 0.000 0.275 811 S C 0.426 175.115 174.600 0.148 0.000 1.272 811 S CA -0.578 57.777 58.200 0.258 0.000 1.050 811 S CB 0.864 64.226 63.200 0.270 0.000 0.961 811 S HN 0.584 nan 8.310 nan 0.000 0.496 812 T N 1.421 116.064 114.554 0.149 0.000 2.897 812 T HA 0.295 4.658 4.350 0.022 0.000 0.278 812 T C 1.700 176.441 174.700 0.069 0.000 0.981 812 T CA -0.666 61.485 62.100 0.085 0.000 0.973 812 T CB 0.224 69.136 68.868 0.073 0.000 1.092 812 T HN 0.651 nan 8.240 nan 0.000 0.543 813 C N 0.723 120.049 119.300 0.044 0.000 2.367 813 C HA -0.117 4.356 4.460 0.022 0.000 0.276 813 C C 2.607 177.615 174.990 0.030 0.000 1.195 813 C CA 1.286 60.324 59.018 0.034 0.000 1.756 813 C CB -1.371 26.383 27.740 0.023 0.000 2.046 813 C HN 0.926 nan 8.230 nan 0.000 0.453 814 D N 0.471 120.887 120.400 0.027 0.000 2.144 814 D HA -0.090 4.563 4.640 0.022 0.000 0.199 814 D C 1.736 178.032 176.300 -0.008 0.000 0.984 814 D CA 1.117 55.124 54.000 0.011 0.000 0.834 814 D CB -0.650 40.162 40.800 0.021 0.000 0.955 814 D HN 0.490 nan 8.370 nan 0.000 0.465 815 D N -0.125 120.278 120.400 0.005 0.000 2.149 815 D HA -0.084 4.569 4.640 0.022 0.000 0.198 815 D C 1.985 178.280 176.300 -0.009 0.000 0.990 815 D CA 0.771 54.747 54.000 -0.041 0.000 0.839 815 D CB -0.189 40.628 40.800 0.027 0.000 0.948 815 D HN 0.050 nan 8.370 nan 0.000 0.460 816 S N 0.108 115.835 115.700 0.045 0.000 2.402 816 S HA -0.029 4.454 4.470 0.022 0.000 0.229 816 S C 2.153 176.766 174.600 0.022 0.000 1.021 816 S CA 0.250 58.487 58.200 0.061 0.000 0.974 816 S CB 0.033 63.272 63.200 0.066 0.000 0.800 816 S HN 0.262 nan 8.310 nan 0.000 0.484 817 I N 1.427 121.994 120.570 -0.004 0.000 2.252 817 I HA -0.115 4.068 4.170 0.022 0.000 0.245 817 I C 2.240 178.325 176.117 -0.054 0.000 1.102 817 I CA 0.874 62.157 61.300 -0.030 0.000 1.385 817 I CB -0.151 37.821 38.000 -0.046 0.000 1.064 817 I HN 0.294 nan 8.210 nan 0.000 0.414 818 L N 0.254 121.435 121.223 -0.069 0.000 2.270 818 L HA -0.012 4.341 4.340 0.022 0.000 0.210 818 L C 2.359 179.201 176.870 -0.048 0.000 1.104 818 L CA 1.402 56.192 54.840 -0.084 0.000 0.804 818 L CB -0.404 41.577 42.059 -0.131 0.000 0.937 818 L HN 0.030 nan 8.230 nan 0.000 0.450 819 V N 1.162 121.054 119.914 -0.036 0.000 2.343 819 V HA -0.284 3.849 4.120 0.022 0.000 0.247 819 V C 2.732 178.802 176.094 -0.039 0.000 1.051 819 V CA 2.165 64.453 62.300 -0.021 0.000 1.036 819 V CB -0.673 31.192 31.823 0.071 0.000 0.654 819 V HN 0.495 nan 8.190 nan 0.000 0.451 820 K N 0.008 120.400 120.400 -0.013 0.000 2.057 820 K HA -0.225 4.108 4.320 0.022 0.000 0.207 820 K C 2.314 178.895 176.600 -0.032 0.000 1.049 820 K CA 1.997 58.277 56.287 -0.011 0.000 0.931 820 K CB -0.425 32.080 32.500 0.007 0.000 0.714 820 K HN 0.508 nan 8.250 nan 0.000 0.440 821 T N -0.447 114.078 114.554 -0.047 0.000 2.788 821 T HA -0.091 4.272 4.350 0.022 0.000 0.268 821 T C 1.855 176.509 174.700 -0.077 0.000 1.044 821 T CA 1.534 63.598 62.100 -0.060 0.000 1.139 821 T CB -0.231 68.593 68.868 -0.073 0.000 0.867 821 T HN 0.080 nan 8.240 nan 0.000 0.454 822 V N 1.161 121.022 119.914 -0.087 0.000 2.295 822 V HA -0.179 3.954 4.120 0.022 0.000 0.246 822 V C 3.100 179.068 176.094 -0.210 0.000 1.049 822 V CA 1.955 64.160 62.300 -0.159 0.000 1.024 822 V CB -0.975 30.756 31.823 -0.153 0.000 0.648 822 V HN 0.706 nan 8.190 nan 0.000 0.447 823 C N 0.750 119.953 119.300 -0.162 0.000 2.413 823 C HA -0.102 4.371 4.460 0.022 0.000 0.276 823 C C 2.877 177.840 174.990 -0.045 0.000 1.248 823 C CA 0.823 59.768 59.018 -0.122 0.000 1.742 823 C CB -1.771 25.928 27.740 -0.069 0.000 2.017 823 C HN 0.682 nan 8.230 nan 0.000 0.481 824 G N 0.132 108.921 108.800 -0.018 0.000 2.403 824 G HA2 -0.075 3.897 3.960 0.022 0.000 0.216 824 G HA3 -0.075 3.897 3.960 0.022 0.000 0.216 824 G C 1.661 176.541 174.900 -0.033 0.000 1.154 824 G CA 1.039 46.155 45.100 0.027 0.000 0.784 824 G HN 0.402 nan 8.290 nan 0.000 0.538 825 V N 0.584 120.441 119.914 -0.094 0.000 2.343 825 V HA -0.173 3.960 4.120 0.022 0.000 0.247 825 V C 2.995 179.002 176.094 -0.145 0.000 1.051 825 V CA 1.513 63.746 62.300 -0.113 0.000 1.036 825 V CB -0.323 31.403 31.823 -0.161 0.000 0.654 825 V HN 0.246 nan 8.190 nan 0.000 0.451 826 V N 0.713 120.483 119.914 -0.241 0.000 2.307 826 V HA -0.202 3.931 4.120 0.022 0.000 0.245 826 V C 2.724 178.785 176.094 -0.055 0.000 1.045 826 V CA 2.250 64.434 62.300 -0.193 0.000 1.024 826 V CB -0.688 30.987 31.823 -0.247 0.000 0.651 826 V HN 0.761 nan 8.190 nan 0.000 0.449 827 S N 0.705 116.372 115.700 -0.055 0.000 2.402 827 S HA -0.263 4.220 4.470 0.022 0.000 0.229 827 S C 2.082 176.635 174.600 -0.078 0.000 1.021 827 S CA 1.654 59.813 58.200 -0.069 0.000 0.974 827 S CB -0.501 62.623 63.200 -0.126 0.000 0.800 827 S HN 0.589 nan 8.310 nan 0.000 0.484 828 R N 1.368 121.836 120.500 -0.052 0.000 2.075 828 R HA 0.065 4.418 4.340 0.022 0.000 0.232 828 R C 2.719 178.960 176.300 -0.099 0.000 1.126 828 R CA 1.203 57.251 56.100 -0.087 0.000 0.963 828 R CB -0.347 29.916 30.300 -0.063 0.000 0.858 828 R HN 0.474 nan 8.270 nan 0.000 0.435 829 R N 0.058 120.539 120.500 -0.031 0.000 2.096 829 R HA -0.086 4.267 4.340 0.022 0.000 0.235 829 R C 2.059 178.344 176.300 -0.025 0.000 1.127 829 R CA 1.401 57.501 56.100 0.001 0.000 0.968 829 R CB -0.296 30.080 30.300 0.127 0.000 0.861 829 R HN 0.346 nan 8.270 nan 0.000 0.440 830 A N 0.795 123.612 122.820 -0.006 0.000 1.883 830 A HA -0.134 4.199 4.320 0.022 0.000 0.217 830 A C 2.322 179.855 177.584 -0.085 0.000 1.186 830 A CA 1.814 53.872 52.037 0.036 0.000 0.624 830 A CB -0.727 18.374 19.000 0.168 0.000 0.822 830 A HN 0.521 nan 8.150 nan 0.000 0.444 831 A N -1.182 121.373 122.820 -0.441 0.000 1.968 831 A HA -0.125 4.208 4.320 0.022 0.000 0.217 831 A C 2.092 179.403 177.584 -0.456 0.000 1.169 831 A CA 1.488 52.906 52.037 -1.031 0.000 0.638 831 A CB -0.419 17.849 19.000 -1.220 0.000 0.812 831 A HN 0.656 nan 8.150 nan 0.000 0.446 832 Q N -0.598 119.047 119.800 -0.258 0.000 2.123 832 Q HA 0.020 4.373 4.340 0.022 0.000 0.199 832 Q C 1.992 177.957 176.000 -0.059 0.000 0.966 832 Q CA 1.054 56.772 55.803 -0.142 0.000 0.845 832 Q CB -0.202 28.465 28.738 -0.119 0.000 0.907 832 Q HN 0.660 nan 8.270 nan 0.000 0.439 833 L N -0.374 120.826 121.223 -0.039 0.000 2.056 833 L HA -0.221 4.132 4.340 0.022 0.000 0.207 833 L C 2.634 179.544 176.870 0.067 0.000 1.078 833 L CA 0.618 55.486 54.840 0.047 0.000 0.749 833 L CB -0.407 41.672 42.059 0.032 0.000 0.901 833 L HN 0.423 nan 8.230 nan 0.000 0.433 834 C N 0.208 119.506 119.300 -0.002 0.000 2.432 834 C HA -0.127 4.346 4.460 0.022 0.000 0.277 834 C C 2.882 177.988 174.990 0.193 0.000 1.249 834 C CA 1.181 60.269 59.018 0.117 0.000 1.725 834 C CB -1.200 26.714 27.740 0.290 0.000 2.028 834 C HN 0.671 nan 8.230 nan 0.000 0.477 835 G N -0.450 108.414 108.800 0.106 0.000 2.422 835 G HA2 0.014 3.987 3.960 0.022 0.000 0.218 835 G HA3 0.014 3.987 3.960 0.022 0.000 0.218 835 G C 1.908 176.879 174.900 0.118 0.000 1.140 835 G CA 0.980 46.160 45.100 0.133 0.000 0.775 835 G HN 0.735 nan 8.290 nan 0.000 0.545 836 A N 0.833 123.700 122.820 0.078 0.000 1.933 836 A HA 0.178 4.511 4.320 0.022 0.000 0.218 836 A C 2.635 180.243 177.584 0.040 0.000 1.175 836 A CA 2.015 54.087 52.037 0.058 0.000 0.628 836 A CB -0.842 18.191 19.000 0.056 0.000 0.814 836 A HN 0.457 nan 8.150 nan 0.000 0.444 837 G N -0.929 107.891 108.800 0.034 0.000 2.394 837 G HA2 -0.146 3.827 3.960 0.022 0.000 0.214 837 G HA3 -0.146 3.827 3.960 0.022 0.000 0.214 837 G C 1.491 176.531 174.900 0.234 0.000 1.176 837 G CA 1.358 46.392 45.100 -0.109 0.000 0.786 837 G HN 0.401 nan 8.290 nan 0.000 0.533 838 M N 1.674 121.523 119.600 0.415 0.000 2.229 838 M HA 0.236 4.729 4.480 0.022 0.000 0.264 838 M C 2.598 179.013 176.300 0.192 0.000 1.063 838 M CA 1.164 56.695 55.300 0.385 0.000 1.114 838 M CB -0.501 32.364 32.600 0.442 0.000 1.387 838 M HN 0.234 nan 8.290 nan 0.000 0.420 839 A N -0.503 122.405 122.820 0.146 0.000 1.972 839 A HA 0.035 4.368 4.320 0.022 0.000 0.219 839 A C 2.317 179.916 177.584 0.025 0.000 1.169 839 A CA 1.925 54.010 52.037 0.079 0.000 0.635 839 A CB -1.202 17.834 19.000 0.061 0.000 0.810 839 A HN 0.597 nan 8.150 nan 0.000 0.446 840 A N -0.613 122.210 122.820 0.005 0.000 1.854 840 A HA 0.090 4.423 4.320 0.022 0.000 0.214 840 A C 2.203 179.728 177.584 -0.099 0.000 1.192 840 A CA 1.485 53.489 52.037 -0.055 0.000 0.611 840 A CB -1.015 17.924 19.000 -0.100 0.000 0.832 840 A HN 0.339 nan 8.150 nan 0.000 0.442 841 V N 0.537 120.393 119.914 -0.097 0.000 2.231 841 V HA -0.309 3.824 4.120 0.022 0.000 0.250 841 V C 2.775 178.740 176.094 -0.214 0.000 1.058 841 V CA 2.408 64.551 62.300 -0.261 0.000 1.022 841 V CB -1.134 30.582 31.823 -0.178 0.000 0.640 841 V HN 0.650 nan 8.190 nan 0.000 0.445 842 V N -1.698 118.161 119.914 -0.092 0.000 2.759 842 V HA -0.186 3.947 4.120 0.022 0.000 0.256 842 V C 1.945 178.007 176.094 -0.053 0.000 1.080 842 V CA 2.514 64.775 62.300 -0.065 0.000 1.101 842 V CB -0.732 31.068 31.823 -0.037 0.000 0.698 842 V HN 0.511 nan 8.190 nan 0.000 0.477 843 D N 0.299 120.668 120.400 -0.051 0.000 2.249 843 D HA -0.025 4.628 4.640 0.022 0.000 0.205 843 D C 2.085 178.357 176.300 -0.048 0.000 0.962 843 D CA 1.109 55.086 54.000 -0.037 0.000 0.860 843 D CB 0.021 40.806 40.800 -0.025 0.000 0.955 843 D HN 0.577 nan 8.370 nan 0.000 0.505 844 K N 0.496 120.845 120.400 -0.086 0.000 2.057 844 K HA -0.077 4.256 4.320 0.022 0.000 0.206 844 K C 2.071 178.648 176.600 -0.039 0.000 1.050 844 K CA 0.744 56.982 56.287 -0.082 0.000 0.935 844 K CB -0.133 32.274 32.500 -0.155 0.000 0.715 844 K HN 0.083 nan 8.250 nan 0.000 0.439 845 I N 1.324 121.864 120.570 -0.050 0.000 2.226 845 I HA -0.272 3.911 4.170 0.022 0.000 0.245 845 I C 2.130 178.258 176.117 0.018 0.000 1.100 845 I CA 1.646 62.965 61.300 0.033 0.000 1.374 845 I CB -0.692 37.367 38.000 0.099 0.000 1.057 845 I HN 0.295 nan 8.210 nan 0.000 0.413 846 R N 0.838 121.335 120.500 -0.004 0.000 2.082 846 R HA -0.216 4.137 4.340 0.022 0.000 0.234 846 R C 2.295 178.595 176.300 0.001 0.000 1.136 846 R CA 2.174 58.272 56.100 -0.003 0.000 0.935 846 R CB -0.364 29.931 30.300 -0.009 0.000 0.842 846 R HN 0.475 nan 8.270 nan 0.000 0.430 847 E N 0.099 120.297 120.200 -0.003 0.000 2.021 847 E HA -0.242 4.121 4.350 0.022 0.000 0.200 847 E C 1.887 178.491 176.600 0.007 0.000 1.015 847 E CA 1.733 58.132 56.400 -0.001 0.000 0.824 847 E CB -0.218 29.478 29.700 -0.006 0.000 0.762 847 E HN 0.378 nan 8.360 nan 0.000 0.454 848 N N 0.541 119.251 118.700 0.016 0.000 2.139 848 N HA -0.222 4.531 4.740 0.022 0.000 0.199 848 N C 1.278 176.799 175.510 0.017 0.000 1.003 848 N CA 1.446 54.512 53.050 0.026 0.000 0.892 848 N CB -0.267 38.252 38.487 0.052 0.000 1.039 848 N HN 0.160 nan 8.380 nan 0.000 0.461 849 R N -0.324 120.185 120.500 0.015 0.000 2.356 849 R HA 0.227 4.580 4.340 0.022 0.000 0.234 849 R C 0.865 177.168 176.300 0.004 0.000 0.929 849 R CA 0.378 56.483 56.100 0.009 0.000 1.084 849 R CB 0.002 30.307 30.300 0.009 0.000 1.105 849 R HN 0.176 nan 8.270 nan 0.000 0.515 850 G N 1.921 110.723 108.800 0.004 0.000 2.361 850 G HA2 -0.295 3.678 3.960 0.022 0.000 0.294 850 G HA3 -0.295 3.678 3.960 0.022 0.000 0.294 850 G C 0.097 174.997 174.900 0.001 0.000 1.004 850 G CA 0.329 45.430 45.100 0.002 0.000 0.870 850 G HN 0.233 nan 8.290 nan 0.000 0.510 851 L N -0.874 120.349 121.223 0.000 0.000 2.399 851 L HA 0.404 4.757 4.340 0.022 0.000 0.266 851 L C 1.179 178.048 176.870 -0.001 0.000 1.114 851 L CA -0.821 54.018 54.840 -0.001 0.000 0.804 851 L CB 0.855 42.913 42.059 -0.002 0.000 1.146 851 L HN -0.050 nan 8.230 nan 0.000 0.451 852 D N 0.306 120.705 120.400 -0.001 0.000 2.301 852 D HA 0.052 4.705 4.640 0.022 0.000 0.206 852 D C 0.397 176.696 176.300 -0.001 0.000 0.979 852 D CA 0.730 54.730 54.000 -0.001 0.000 0.874 852 D CB 0.459 41.259 40.800 -0.000 0.000 0.968 852 D HN 0.343 nan 8.370 nan 0.000 0.510 853 R N 0.164 120.663 120.500 -0.002 0.000 2.584 853 R HA 0.446 4.799 4.340 0.022 0.000 0.276 853 R C -2.149 174.148 176.300 -0.005 0.000 1.046 853 R CA -0.747 55.352 56.100 -0.002 0.000 0.906 853 R CB 1.163 31.462 30.300 -0.001 0.000 1.215 853 R HN -0.075 nan 8.270 nan 0.000 0.449 854 L N 3.552 124.771 121.223 -0.007 0.000 2.356 854 L HA 0.565 4.918 4.340 0.022 0.000 0.277 854 L C -1.516 175.343 176.870 -0.018 0.000 0.996 854 L CA -0.431 54.402 54.840 -0.012 0.000 0.822 854 L CB 2.002 44.053 42.059 -0.014 0.000 1.256 854 L HN 0.656 nan 8.230 nan 0.000 0.413 855 N N 4.540 123.228 118.700 -0.021 0.000 2.437 855 N HA 0.511 5.264 4.740 0.022 0.000 0.259 855 N C -1.277 174.207 175.510 -0.044 0.000 0.983 855 N CA -0.155 52.877 53.050 -0.030 0.000 0.937 855 N CB 2.379 40.852 38.487 -0.023 0.000 1.122 855 N HN 0.468 nan 8.380 nan 0.000 0.499 856 V N 1.303 121.176 119.914 -0.068 0.000 3.049 856 V HA 0.607 4.740 4.120 0.022 0.000 0.309 856 V C -0.726 175.281 176.094 -0.146 0.000 1.148 856 V CA -0.534 61.713 62.300 -0.089 0.000 0.990 856 V CB 2.426 34.202 31.823 -0.077 0.000 1.039 856 V HN 0.733 nan 8.190 nan 0.000 0.430 857 T N 3.534 118.000 114.554 -0.146 0.000 2.824 857 T HA 0.720 5.083 4.350 0.022 0.000 0.282 857 T C -1.148 173.422 174.700 -0.217 0.000 0.993 857 T CA -0.471 61.513 62.100 -0.193 0.000 0.967 857 T CB 1.374 70.171 68.868 -0.119 0.000 0.960 857 T HN 0.633 nan 8.240 nan 0.000 0.441 858 V N 4.071 123.777 119.914 -0.346 0.000 2.394 858 V HA 0.702 4.835 4.120 0.022 0.000 0.282 858 V C 1.140 177.157 176.094 -0.128 0.000 1.031 858 V CA -0.674 61.466 62.300 -0.267 0.000 0.881 858 V CB 1.417 32.970 31.823 -0.450 0.000 0.982 858 V HN 1.138 nan 8.190 nan 0.000 0.451 859 G N 3.864 112.617 108.800 -0.079 0.000 2.339 859 G HA2 0.571 4.544 3.960 0.022 0.000 0.287 859 G HA3 0.571 4.544 3.960 0.022 0.000 0.287 859 G C -0.745 174.116 174.900 -0.066 0.000 1.163 859 G CA -0.213 44.860 45.100 -0.044 0.000 0.872 859 G HN 0.623 nan 8.290 nan 0.000 0.464 860 V N 2.022 121.885 119.914 -0.084 0.000 2.876 860 V HA 0.655 4.788 4.120 0.022 0.000 0.312 860 V C -0.790 175.181 176.094 -0.206 0.000 1.085 860 V CA -0.976 61.191 62.300 -0.222 0.000 0.945 860 V CB 2.172 33.680 31.823 -0.525 0.000 1.017 860 V HN 0.722 nan 8.190 nan 0.000 0.428 861 D N 0.188 120.466 120.400 -0.202 0.000 2.652 861 D HA 0.796 5.449 4.640 0.022 0.000 0.285 861 D C -0.362 175.891 176.300 -0.078 0.000 1.173 861 D CA 0.629 54.570 54.000 -0.098 0.000 0.981 861 D CB 2.498 43.262 40.800 -0.059 0.000 1.440 861 D HN 1.193 nan 8.370 nan 0.000 0.485 862 G N -0.556 108.237 108.800 -0.012 0.000 2.521 862 G HA2 -0.003 3.970 3.960 0.022 0.000 0.589 862 G HA3 -0.003 3.970 3.960 0.022 0.000 0.589 862 G C 0.497 175.407 174.900 0.017 0.000 1.501 862 G CA 0.116 45.208 45.100 -0.012 0.000 0.887 862 G HN 0.326 nan 8.290 nan 0.000 0.654 863 T N 1.666 116.210 114.554 -0.017 0.000 2.833 863 T HA -0.141 4.222 4.350 0.022 0.000 0.269 863 T C 2.549 177.225 174.700 -0.040 0.000 1.054 863 T CA 1.896 63.981 62.100 -0.025 0.000 1.135 863 T CB -0.109 68.733 68.868 -0.045 0.000 0.869 863 T HN 0.628 nan 8.240 nan 0.000 0.466 864 L N 0.012 121.188 121.223 -0.077 0.000 2.072 864 L HA 0.090 4.443 4.340 0.022 0.000 0.205 864 L C 2.118 178.882 176.870 -0.176 0.000 1.079 864 L CA 1.525 56.280 54.840 -0.142 0.000 0.752 864 L CB -0.764 41.157 42.059 -0.231 0.000 0.906 864 L HN 0.248 nan 8.230 nan 0.000 0.436 865 Y N 0.770 120.897 120.300 -0.289 0.000 2.181 865 Y HA -0.265 4.298 4.550 0.022 0.000 0.288 865 Y C 2.324 178.185 175.900 -0.065 0.000 1.146 865 Y CA 2.317 60.287 58.100 -0.217 0.000 1.164 865 Y CB -0.098 38.276 38.460 -0.143 0.000 0.982 865 Y HN 0.275 nan 8.280 nan 0.000 0.515 866 K N -0.320 120.140 120.400 0.099 0.000 2.025 866 K HA -0.101 4.232 4.320 0.022 0.000 0.207 866 K C 1.930 178.513 176.600 -0.028 0.000 1.049 866 K CA 1.860 58.177 56.287 0.050 0.000 0.933 866 K CB -0.502 32.042 32.500 0.073 0.000 0.714 866 K HN 0.340 nan 8.250 nan 0.000 0.438 867 L N 0.448 121.649 121.223 -0.036 0.000 2.249 867 L HA 0.035 4.388 4.340 0.022 0.000 0.207 867 L C 1.535 178.367 176.870 -0.063 0.000 1.090 867 L CA 0.070 54.879 54.840 -0.051 0.000 0.802 867 L CB -0.370 41.657 42.059 -0.053 0.000 0.947 867 L HN 0.314 nan 8.230 nan 0.000 0.453 868 H N 2.969 121.961 119.070 -0.130 0.000 2.848 868 H HA 0.033 4.602 4.556 0.021 0.000 0.317 868 H C -1.477 173.751 175.328 -0.167 0.000 1.046 868 H CA -1.286 54.689 56.048 -0.121 0.000 1.470 868 H CB 1.567 31.294 29.762 -0.059 0.000 1.483 868 H HN -0.044 nan 8.280 nan 0.000 0.548 869 P HA -0.180 nan 4.420 nan 0.000 0.216 869 P C 0.280 177.309 177.300 -0.451 0.000 1.150 869 P CA 1.708 64.467 63.100 -0.568 0.000 0.843 869 P CB 0.384 31.493 31.700 -0.984 0.000 0.787 870 H N -4.015 115.126 119.070 0.120 0.000 2.927 870 H HA 0.163 4.732 4.556 0.021 0.000 0.255 870 H C 1.729 177.138 175.328 0.136 0.000 0.974 870 H CA -0.380 55.748 56.048 0.133 0.000 1.199 870 H CB -0.403 29.436 29.762 0.128 0.000 1.447 870 H HN -0.067 nan 8.280 nan 0.000 0.467 871 F N 2.669 122.772 119.950 0.255 0.000 2.027 871 F HA -0.337 4.203 4.527 0.021 0.000 0.297 871 F C 2.607 178.247 175.800 -0.267 0.000 1.129 871 F CA 2.049 59.977 58.000 -0.120 0.000 1.195 871 F CB -0.502 38.348 39.000 -0.250 0.000 0.960 871 F HN 0.161 nan 8.300 nan 0.000 0.485 872 S N 0.417 116.064 115.700 -0.087 0.000 2.383 872 S HA -0.248 4.235 4.470 0.022 0.000 0.229 872 S C 2.034 176.134 174.600 -0.833 0.000 1.030 872 S CA 1.359 59.188 58.200 -0.619 0.000 1.002 872 S CB -0.821 61.809 63.200 -0.950 0.000 0.829 872 S HN 0.554 nan 8.310 nan 0.000 0.467 873 R N 0.832 121.099 120.500 -0.389 0.000 2.092 873 R HA 0.095 4.448 4.340 0.022 0.000 0.231 873 R C 2.433 178.600 176.300 -0.222 0.000 1.119 873 R CA 1.417 57.378 56.100 -0.232 0.000 0.970 873 R CB -0.733 29.531 30.300 -0.059 0.000 0.864 873 R HN 0.631 nan 8.270 nan 0.000 0.440 874 I N -0.558 119.865 120.570 -0.245 0.000 2.617 874 I HA -0.088 4.095 4.170 0.022 0.000 0.256 874 I C 1.889 177.841 176.117 -0.276 0.000 1.167 874 I CA 1.258 62.421 61.300 -0.229 0.000 1.469 874 I CB -0.194 37.690 38.000 -0.192 0.000 1.098 874 I HN 0.081 nan 8.210 nan 0.000 0.436 875 M N 0.873 120.213 119.600 -0.432 0.000 2.077 875 M HA -0.225 4.268 4.480 0.022 0.000 0.261 875 M C 2.330 178.569 176.300 -0.102 0.000 1.070 875 M CA 2.163 57.273 55.300 -0.317 0.000 1.125 875 M CB -1.089 31.290 32.600 -0.368 0.000 1.339 875 M HN 0.467 nan 8.290 nan 0.000 0.409 876 H N -0.607 118.324 119.070 -0.233 0.000 2.353 876 H HA -0.232 4.337 4.556 0.022 0.000 0.298 876 H C 2.177 177.494 175.328 -0.018 0.000 1.103 876 H CA 1.761 57.710 56.048 -0.165 0.000 1.293 876 H CB -0.183 29.463 29.762 -0.193 0.000 1.372 876 H HN 0.540 nan 8.280 nan 0.000 0.501 877 Q N -0.000 119.841 119.800 0.068 0.000 2.096 877 Q HA -0.139 4.214 4.340 0.022 0.000 0.204 877 Q C 2.304 178.324 176.000 0.034 0.000 0.982 877 Q CA 2.086 57.912 55.803 0.039 0.000 0.850 877 Q CB 0.146 28.876 28.738 -0.013 0.000 0.901 877 Q HN 0.428 nan 8.270 nan 0.000 0.422 878 T N -0.281 114.278 114.554 0.009 0.000 2.746 878 T HA -0.105 4.258 4.350 0.022 0.000 0.267 878 T C 1.835 176.570 174.700 0.058 0.000 1.039 878 T CA 1.308 63.414 62.100 0.009 0.000 1.142 878 T CB -0.144 68.709 68.868 -0.025 0.000 0.866 878 T HN 0.068 nan 8.240 nan 0.000 0.444 879 V N 1.752 121.734 119.914 0.113 0.000 2.453 879 V HA -0.104 4.029 4.120 0.022 0.000 0.247 879 V C 2.485 178.654 176.094 0.126 0.000 1.048 879 V CA 1.485 63.880 62.300 0.159 0.000 1.049 879 V CB -0.524 31.480 31.823 0.301 0.000 0.672 879 V HN 0.471 nan 8.190 nan 0.000 0.457 880 K N 0.928 121.402 120.400 0.124 0.000 2.103 880 K HA -0.185 4.148 4.320 0.022 0.000 0.204 880 K C 2.034 178.669 176.600 0.059 0.000 1.052 880 K CA 1.628 57.969 56.287 0.091 0.000 0.945 880 K CB -0.116 32.441 32.500 0.095 0.000 0.722 880 K HN 0.668 nan 8.250 nan 0.000 0.443 881 E N 0.699 120.928 120.200 0.047 0.000 2.347 881 E HA -0.133 4.230 4.350 0.022 0.000 0.196 881 E C 1.844 178.461 176.600 0.028 0.000 1.008 881 E CA 0.712 57.130 56.400 0.030 0.000 0.852 881 E CB -0.010 29.700 29.700 0.018 0.000 0.783 881 E HN 0.407 nan 8.360 nan 0.000 0.505 882 L N 0.225 121.469 121.223 0.035 0.000 2.537 882 L HA 0.170 4.523 4.340 0.022 0.000 0.224 882 L C 0.809 177.696 176.870 0.027 0.000 1.065 882 L CA 0.071 54.928 54.840 0.027 0.000 0.860 882 L CB 0.476 42.552 42.059 0.027 0.000 1.086 882 L HN -0.139 nan 8.230 nan 0.000 0.482 883 S N 1.329 117.051 115.700 0.037 0.000 2.217 883 S HA 0.263 4.746 4.470 0.022 0.000 0.168 883 S C -1.843 172.773 174.600 0.027 0.000 1.526 883 S CA -0.792 57.425 58.200 0.027 0.000 1.150 883 S CB 0.776 63.992 63.200 0.027 0.000 1.158 883 S HN 0.049 nan 8.310 nan 0.000 0.473 884 P HA 0.030 nan 4.420 nan 0.000 0.237 884 P C 0.388 177.698 177.300 0.016 0.000 1.178 884 P CA 0.615 63.728 63.100 0.021 0.000 0.766 884 P CB 0.117 31.827 31.700 0.017 0.000 0.876 885 K N -1.435 118.972 120.400 0.012 0.000 2.374 885 K HA 0.158 4.491 4.320 0.022 0.000 0.196 885 K C 0.283 176.886 176.600 0.005 0.000 1.023 885 K CA -0.050 56.241 56.287 0.007 0.000 1.103 885 K CB 0.143 32.645 32.500 0.003 0.000 0.848 885 K HN 0.130 nan 8.250 nan 0.000 0.528 886 C N 0.558 119.863 119.300 0.008 0.000 2.529 886 C HA 0.357 4.829 4.460 0.022 0.000 0.329 886 C C -0.247 174.747 174.990 0.006 0.000 1.194 886 C CA -1.133 57.885 59.018 0.001 0.000 1.779 886 C CB 0.908 28.646 27.740 -0.003 0.000 2.322 886 C HN 0.424 nan 8.230 nan 0.000 0.500 887 N N 0.881 119.577 118.700 -0.006 0.000 2.623 887 N HA 0.424 5.177 4.740 0.022 0.000 0.256 887 N C -1.528 173.964 175.510 -0.030 0.000 1.045 887 N CA -0.003 53.046 53.050 -0.002 0.000 0.863 887 N CB 1.316 39.802 38.487 -0.002 0.000 1.182 887 N HN 0.586 nan 8.380 nan 0.000 0.523 888 V N 2.557 122.453 119.914 -0.029 0.000 2.370 888 V HA 0.542 4.675 4.120 0.022 0.000 0.283 888 V C -0.434 175.582 176.094 -0.129 0.000 1.023 888 V CA -0.088 62.131 62.300 -0.136 0.000 0.857 888 V CB 1.386 33.075 31.823 -0.224 0.000 0.985 888 V HN 0.497 nan 8.190 nan 0.000 0.443 889 S N 6.344 121.923 115.700 -0.202 0.000 2.565 889 S HA 0.763 5.246 4.470 0.022 0.000 0.290 889 S C -0.914 173.501 174.600 -0.308 0.000 1.150 889 S CA -0.184 57.944 58.200 -0.119 0.000 1.058 889 S CB 1.177 64.335 63.200 -0.070 0.000 1.032 889 S HN 0.657 nan 8.310 nan 0.000 0.510 890 F N 2.465 122.342 119.950 -0.122 0.000 2.482 890 F HA 0.518 5.058 4.527 0.022 0.000 0.331 890 F C -0.547 175.256 175.800 0.005 0.000 1.115 890 F CA -0.958 57.002 58.000 -0.067 0.000 0.955 890 F CB 1.266 40.196 39.000 -0.117 0.000 1.136 890 F HN 0.129 nan 8.300 nan 0.000 0.452 891 L N 4.924 126.236 121.223 0.148 0.000 2.333 891 L HA 0.382 4.735 4.340 0.022 0.000 0.280 891 L C -0.356 176.589 176.870 0.125 0.000 1.004 891 L CA -0.721 54.190 54.840 0.119 0.000 0.820 891 L CB 1.446 43.536 42.059 0.051 0.000 1.247 891 L HN 0.492 nan 8.230 nan 0.000 0.416 892 L N 2.526 123.843 121.223 0.157 0.000 2.416 892 L HA 0.146 4.499 4.340 0.022 0.000 0.272 892 L C 0.687 177.603 176.870 0.077 0.000 1.161 892 L CA 0.496 55.421 54.840 0.142 0.000 0.845 892 L CB 1.589 43.761 42.059 0.189 0.000 1.119 892 L HN 0.789 nan 8.230 nan 0.000 0.464 893 S N 3.920 119.647 115.700 0.044 0.000 2.400 893 S HA 0.140 4.623 4.470 0.022 0.000 0.295 893 S C 1.006 175.626 174.600 0.034 0.000 1.113 893 S CA -0.413 57.803 58.200 0.027 0.000 1.064 893 S CB 0.155 63.356 63.200 0.001 0.000 0.990 893 S HN 0.713 nan 8.310 nan 0.000 0.502 894 E N 2.662 122.884 120.200 0.036 0.000 2.285 894 E HA -0.056 4.307 4.350 0.022 0.000 0.194 894 E C 0.585 177.196 176.600 0.018 0.000 0.997 894 E CA 0.542 56.962 56.400 0.033 0.000 0.845 894 E CB 0.193 29.914 29.700 0.035 0.000 0.782 894 E HN 0.769 nan 8.360 nan 0.000 0.491 895 D N -0.096 120.309 120.400 0.008 0.000 2.788 895 D HA 0.133 4.786 4.640 0.022 0.000 0.289 895 D C 0.280 176.575 176.300 -0.009 0.000 1.340 895 D CA 0.134 54.132 54.000 -0.003 0.000 0.831 895 D CB 0.100 40.893 40.800 -0.012 0.000 1.103 895 D HN 0.114 nan 8.370 nan 0.000 0.476 896 G N 0.570 109.367 108.800 -0.005 0.000 2.787 896 G HA2 -0.231 3.742 3.960 0.022 0.000 0.685 896 G HA3 -0.231 3.742 3.960 0.022 0.000 0.685 896 G C 0.459 175.350 174.900 -0.015 0.000 1.437 896 G CA -0.070 45.025 45.100 -0.009 0.000 0.872 896 G HN 0.568 nan 8.290 nan 0.000 0.566 897 S N -0.126 115.566 115.700 -0.014 0.000 2.679 897 S HA 0.406 4.888 4.470 0.022 0.000 0.233 897 S C 2.036 176.625 174.600 -0.018 0.000 0.951 897 S CA 0.943 59.132 58.200 -0.019 0.000 0.973 897 S CB 0.784 63.973 63.200 -0.018 0.000 0.778 897 S HN 1.923 nan 8.310 nan 0.000 0.477 898 G N 2.480 111.269 108.800 -0.018 0.000 2.403 898 G HA2 -0.137 3.836 3.960 0.022 0.000 0.216 898 G HA3 -0.137 3.836 3.960 0.022 0.000 0.216 898 G C 1.376 176.252 174.900 -0.040 0.000 1.154 898 G CA 0.465 45.555 45.100 -0.016 0.000 0.784 898 G HN 0.501 nan 8.290 nan 0.000 0.538 899 K N 0.545 120.906 120.400 -0.065 0.000 2.009 899 K HA -0.075 4.258 4.320 0.022 0.000 0.210 899 K C 2.663 179.189 176.600 -0.123 0.000 1.049 899 K CA 1.538 57.752 56.287 -0.120 0.000 0.929 899 K CB -0.739 31.664 32.500 -0.162 0.000 0.714 899 K HN 0.227 nan 8.250 nan 0.000 0.440 900 G N 0.361 109.111 108.800 -0.083 0.000 2.442 900 G HA2 -0.257 3.716 3.960 0.022 0.000 0.219 900 G HA3 -0.257 3.716 3.960 0.022 0.000 0.219 900 G C 1.554 176.414 174.900 -0.067 0.000 1.141 900 G CA 1.087 46.151 45.100 -0.060 0.000 0.763 900 G HN 0.465 nan 8.290 nan 0.000 0.554 901 A N 0.957 123.744 122.820 -0.054 0.000 1.929 901 A HA 0.417 4.750 4.320 0.022 0.000 0.216 901 A C 2.791 180.307 177.584 -0.114 0.000 1.176 901 A CA 1.873 53.885 52.037 -0.042 0.000 0.628 901 A CB -0.646 18.361 19.000 0.012 0.000 0.816 901 A HN 0.708 nan 8.150 nan 0.000 0.444 902 A N -0.029 122.697 122.820 -0.157 0.000 1.902 902 A HA -0.083 4.250 4.320 0.022 0.000 0.217 902 A C 2.144 179.397 177.584 -0.552 0.000 1.181 902 A CA 1.513 53.342 52.037 -0.346 0.000 0.623 902 A CB -0.639 18.252 19.000 -0.181 0.000 0.818 902 A HN 0.464 nan 8.150 nan 0.000 0.443 903 L N -0.903 120.140 121.223 -0.299 0.000 2.083 903 L HA -0.179 4.173 4.340 0.022 0.000 0.209 903 L C 2.421 179.169 176.870 -0.203 0.000 1.083 903 L CA 1.202 55.911 54.840 -0.219 0.000 0.752 903 L CB -0.372 41.635 42.059 -0.086 0.000 0.899 903 L HN 0.401 nan 8.230 nan 0.000 0.433 904 I N -1.045 119.423 120.570 -0.169 0.000 2.406 904 I HA -0.212 3.971 4.170 0.022 0.000 0.249 904 I C 2.373 178.408 176.117 -0.136 0.000 1.122 904 I CA 1.124 62.361 61.300 -0.106 0.000 1.431 904 I CB -0.289 37.681 38.000 -0.051 0.000 1.087 904 I HN 0.180 nan 8.210 nan 0.000 0.424 905 T N 0.891 115.307 114.554 -0.230 0.000 2.803 905 T HA -0.185 4.178 4.350 0.022 0.000 0.269 905 T C 2.047 176.590 174.700 -0.261 0.000 1.052 905 T CA 1.328 63.296 62.100 -0.221 0.000 1.136 905 T CB -0.347 68.343 68.868 -0.297 0.000 0.864 905 T HN 0.460 nan 8.240 nan 0.000 0.467 906 A N 1.022 123.551 122.820 -0.486 0.000 1.877 906 A HA -0.040 4.293 4.320 0.022 0.000 0.216 906 A C 2.611 180.202 177.584 0.013 0.000 1.186 906 A CA 1.311 53.258 52.037 -0.150 0.000 0.620 906 A CB -1.071 17.854 19.000 -0.124 0.000 0.822 906 A HN 0.347 nan 8.150 nan 0.000 0.443 907 V N 0.005 119.903 119.914 -0.027 0.000 2.295 907 V HA -0.195 3.938 4.120 0.022 0.000 0.246 907 V C 2.744 178.851 176.094 0.021 0.000 1.049 907 V CA 1.875 64.178 62.300 0.006 0.000 1.024 907 V CB -1.566 30.254 31.823 -0.006 0.000 0.648 907 V HN 0.656 nan 8.190 nan 0.000 0.447 908 G N 0.145 108.952 108.800 0.011 0.000 2.838 908 G HA2 -0.313 3.660 3.960 0.022 0.000 0.215 908 G HA3 -0.313 3.660 3.960 0.022 0.000 0.215 908 G C 1.637 176.568 174.900 0.051 0.000 1.327 908 G CA 1.688 46.806 45.100 0.029 0.000 0.802 908 G HN 0.315 nan 8.290 nan 0.000 0.658 909 V N 0.973 120.942 119.914 0.092 0.000 2.311 909 V HA -0.332 3.801 4.120 0.022 0.000 0.259 909 V C 2.834 178.972 176.094 0.074 0.000 1.086 909 V CA 2.769 65.131 62.300 0.103 0.000 1.078 909 V CB -0.640 31.284 31.823 0.169 0.000 0.668 909 V HN 0.428 nan 8.190 nan 0.000 0.452 910 R N -0.354 120.188 120.500 0.071 0.000 2.234 910 R HA -0.015 4.338 4.340 0.022 0.000 0.209 910 R C 0.914 177.236 176.300 0.036 0.000 1.077 910 R CA 0.917 57.048 56.100 0.051 0.000 0.866 910 R CB -0.602 29.727 30.300 0.047 0.000 0.764 910 R HN 0.403 nan 8.270 nan 0.000 0.459 911 L N 2.173 123.414 121.223 0.030 0.000 3.022 911 L HA -0.168 4.185 4.340 0.022 0.000 0.303 911 L C 1.173 178.052 176.870 0.015 0.000 1.081 911 L CA 0.740 55.593 54.840 0.020 0.000 1.164 911 L CB -0.700 41.371 42.059 0.020 0.000 1.559 911 L HN 0.494 nan 8.230 nan 0.000 0.422 912 R N 0.662 121.170 120.500 0.014 0.000 3.912 912 R HA 0.033 4.386 4.340 0.022 0.000 0.091 912 R C 0.020 176.325 176.300 0.009 0.000 0.508 912 R CA -0.365 55.741 56.100 0.010 0.000 0.423 912 R CB 0.305 30.618 30.300 0.021 0.000 0.532 912 R HN 0.199 nan 8.270 nan 0.000 0.334 913 T N 3.556 118.123 114.554 0.021 0.000 4.475 913 T HA 0.112 4.475 4.350 0.022 0.000 0.254 913 T C -0.526 174.186 174.700 0.021 0.000 1.160 913 T CA 0.201 62.312 62.100 0.019 0.000 1.091 913 T CB -0.454 68.427 68.868 0.022 0.000 1.377 913 T HN 0.194 nan 8.240 nan 0.000 1.057 914 E N 0.000 120.210 120.200 0.016 0.000 2.725 914 E HA 0.000 4.363 4.350 0.022 0.000 0.291 914 E CA 0.000 56.410 56.400 0.016 0.000 0.976 914 E CB 0.000 29.707 29.700 0.012 0.000 0.812 914 E HN 0.000 nan 8.360 nan 0.000 0.440