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 1muk_1_A DATA FIRST_RESID 2 DATA SEQUENCE SSMILTQFGP FIESISGITD QSNDVFEDAA KAFSMFTRSD VYKALDEIPF DATA SEQUENCE SDDAMLPIPP TIYTKPSHDS YYYIDALNRV RRKTYQGPDD VYVPNCSIVE DATA SEQUENCE LLEPHETLTS YGRLSEAIEN RAKDGDSQAR IATTYGRIAE SQARQIKAPL DATA SEQUENCE EKFVLALLVA EAGGSLYDPV LQKYDEIPDL SHNCPLWCFR EICRHISGPL DATA SEQUENCE PDRAPYLYLS AGVFWLMSPR MTSAIPPLLS DLVNLAILQQ TAGLDPSLVK DATA SEQUENCE LGVQICLHAA ASSSYSWFIL KTKSIFPQNT LHSMYESLEG GYCPNLEWLE DATA SEQUENCE PRSDYKFMYM GVMPLSAKYA RSAPSNDKKA RELGEKYGLS SVVGELRKRT DATA SEQUENCE KTYVKHDFAS VRYIRDAMAC TSGIFLVRTP TETVLQEYTQ SPEIKVPIPQ DATA SEQUENCE KDWTGPIGEI RILKDTTSSI ARYLYRTWYL AAARMAAQPR TWDPLFQAIM DATA SEQUENCE RSQYVTARGG SGAALRESLY AINVSLPDFK GLPVKAATKI FQAAQLANLP DATA SEQUENCE FSHTSVAILA DTSMGLRNQV QRRPRSIMPL NVPQQQVSAP HTLTADYINY DATA SEQUENCE HMNLSPTSGS AVIEKVIPLG VYASSPPNQS INIDISACDA SITWDFFLSV DATA SEQUENCE IMAAIHEGVA SSSIGKPFMG VPASIVNDES VVGVRAARPI SGMQNMIQHL DATA SEQUENCE SKLYKRGFSY RVNDSFSPGN DFTHMTTTFP SGSTATSTEH TANNSTMMET DATA SEQUENCE FLTVWGPEHT DDPDVLRLMK SLTIQRNYVC QGDDGLMIID GTTAGKVNSE DATA SEQUENCE TIQNDLELIS KYGEEFGWKY DIAYDGTAEY LKLYFIFGCR IPNLSRHPIV DATA SEQUENCE GKERANSSAE EPWPAILDQI MGVFFNGVHD GLQWQRWIRY SWALCCAFSR DATA SEQUENCE QRTMIGESVG YLQYPMWSFV YWGLPLVKAF GSDPWIFSWY MPTGDLGMYS DATA SEQUENCE WISLIRPLMT RWMVANGYVT DRCSTVFGNA DYRRCFNELK LYQGYYMAQL DATA SEQUENCE PRNPKXXXXX XXXEVREQFT QALSDYLMQN PELKSRVLRG RSEWEKYGAG DATA SEQUENCE IIHNPPSLFD VPHKWYQGAQ EAAIATREEL AEMDETLMRA RRHSYSSFSK DATA SEQUENCE LLEAYLLVKW RMCEAREPSV DLRLPLCAGI DPLNSDPFLK MVSVGPMLQS DATA SEQUENCE TRKYFAQTLF MAKTVSGLDV NAIDSALLRL RTLGADKKAL TAQLLMVGLQ DATA SEQUENCE ESEADALAGK IMLQDVNTVQ LARVVNLAVP DTWMSLDFDS MFKHHVKLLP DATA SEQUENCE KDGRHLNTDI PPRMGWLRAI LRFLGAGMVM TATGVAVDIY LEDIHGGGRS DATA SEQUENCE LGQRFMTWMR QEGR 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.623 174.600 0.039 0.000 1.055 2 S CA 0.000 58.210 58.200 0.017 0.000 1.107 2 S CB 0.000 63.203 63.200 0.004 0.000 0.593 3 S N 2.302 118.021 115.700 0.031 0.000 4.145 3 S HA -0.442 4.028 4.470 0.001 0.000 0.537 3 S C 1.678 176.313 174.600 0.058 0.000 1.193 3 S CA 2.315 60.536 58.200 0.035 0.000 3.596 3 S CB -1.170 62.047 63.200 0.028 0.000 2.081 3 S HN 0.807 nan 8.310 nan 0.000 0.456 4 M N 0.808 120.454 119.600 0.077 0.000 2.073 4 M HA -0.152 4.328 4.480 0.001 0.000 0.258 4 M C 1.843 178.262 176.300 0.198 0.000 1.070 4 M CA 2.111 57.484 55.300 0.122 0.000 1.103 4 M CB -0.231 32.456 32.600 0.146 0.000 1.321 4 M HN 0.478 nan 8.290 nan 0.000 0.405 5 I N -0.053 120.631 120.570 0.190 0.000 2.233 5 I HA -0.227 3.944 4.170 0.001 0.000 0.243 5 I C 2.358 178.596 176.117 0.202 0.000 1.093 5 I CA 1.061 62.488 61.300 0.212 0.000 1.380 5 I CB -1.542 36.496 38.000 0.064 0.000 1.067 5 I HN 0.350 nan 8.210 nan 0.000 0.413 6 L N 0.777 122.065 121.223 0.108 0.000 2.079 6 L HA -0.191 4.150 4.340 0.001 0.000 0.210 6 L C 2.556 179.465 176.870 0.065 0.000 1.081 6 L CA 1.951 56.839 54.840 0.078 0.000 0.752 6 L CB -1.121 40.962 42.059 0.041 0.000 0.896 6 L HN 0.206 nan 8.230 nan 0.000 0.433 7 T N -1.384 113.200 114.554 0.051 0.000 2.777 7 T HA -0.188 4.162 4.350 0.001 0.000 0.266 7 T C 1.796 176.478 174.700 -0.031 0.000 1.040 7 T CA 1.316 63.423 62.100 0.011 0.000 1.141 7 T CB -0.055 68.817 68.868 0.007 0.000 0.868 7 T HN 0.409 nan 8.240 nan 0.000 0.444 8 Q N -0.914 118.863 119.800 -0.039 0.000 2.331 8 Q HA 0.128 4.468 4.340 0.001 0.000 0.203 8 Q C 0.708 176.394 176.000 -0.523 0.000 0.944 8 Q CA 0.761 56.400 55.803 -0.273 0.000 0.892 8 Q CB 0.218 28.767 28.738 -0.314 0.000 0.983 8 Q HN 0.532 nan 8.270 nan 0.000 0.482 9 F N -1.816 118.079 119.950 -0.092 0.000 2.729 9 F HA 0.271 4.799 4.527 0.001 0.000 0.315 9 F C 1.719 177.522 175.800 0.004 0.000 1.102 9 F CA -0.162 57.791 58.000 -0.078 0.000 1.204 9 F CB 0.236 39.155 39.000 -0.136 0.000 1.052 9 F HN -0.001 nan 8.300 nan 0.000 0.551 10 G N 2.525 111.394 108.800 0.115 0.000 2.766 10 G HA2 -0.307 3.653 3.960 0.001 0.000 0.222 10 G HA3 -0.307 3.653 3.960 0.001 0.000 0.222 10 G C -0.594 174.344 174.900 0.063 0.000 1.225 10 G CA 1.403 46.544 45.100 0.070 0.000 0.784 10 G HN 0.202 nan 8.290 nan 0.000 0.631 11 P HA -0.077 nan 4.420 nan 0.000 0.216 11 P C 1.611 178.957 177.300 0.077 0.000 1.150 11 P CA 0.878 64.007 63.100 0.047 0.000 0.837 11 P CB -0.131 31.592 31.700 0.038 0.000 0.786 12 F N -0.007 119.934 119.950 -0.015 0.000 2.206 12 F HA -0.078 4.449 4.527 0.001 0.000 0.298 12 F C 1.942 177.727 175.800 -0.024 0.000 1.090 12 F CA 1.104 59.095 58.000 -0.016 0.000 1.323 12 F CB -0.770 38.256 39.000 0.043 0.000 1.028 12 F HN -0.234 nan 8.300 nan 0.000 0.492 13 I N 0.376 120.915 120.570 -0.052 0.000 2.208 13 I HA -0.289 3.881 4.170 0.001 0.000 0.245 13 I C 2.137 178.145 176.117 -0.181 0.000 1.097 13 I CA 1.730 62.941 61.300 -0.148 0.000 1.363 13 I CB -0.561 37.434 38.000 -0.007 0.000 1.051 13 I HN 0.208 nan 8.210 nan 0.000 0.413 14 E N 0.440 120.569 120.200 -0.120 0.000 2.208 14 E HA -0.140 4.210 4.350 0.001 0.000 0.193 14 E C 2.223 178.714 176.600 -0.182 0.000 0.988 14 E CA 1.427 57.763 56.400 -0.107 0.000 0.828 14 E CB -0.057 29.608 29.700 -0.059 0.000 0.763 14 E HN 0.538 nan 8.360 nan 0.000 0.478 15 S N 1.250 116.794 115.700 -0.260 0.000 2.461 15 S HA -0.054 4.417 4.470 0.001 0.000 0.228 15 S C 1.959 176.257 174.600 -0.505 0.000 1.005 15 S CA 0.430 58.423 58.200 -0.345 0.000 0.942 15 S CB -0.493 62.523 63.200 -0.307 0.000 0.776 15 S HN 0.418 nan 8.310 nan 0.000 0.514 16 I N -2.138 118.106 120.570 -0.544 0.000 3.976 16 I HA 0.460 4.631 4.170 0.001 0.000 0.337 16 I C 0.978 176.957 176.117 -0.230 0.000 1.359 16 I CA -0.256 60.723 61.300 -0.535 0.000 1.098 16 I CB 0.396 38.014 38.000 -0.638 0.000 1.027 16 I HN 0.051 nan 8.210 nan 0.000 0.394 17 S N 1.034 116.644 115.700 -0.150 0.000 2.539 17 S HA 0.394 4.864 4.470 0.001 0.000 0.221 17 S C 1.440 176.145 174.600 0.176 0.000 0.987 17 S CA 0.516 58.783 58.200 0.111 0.000 0.929 17 S CB 0.601 63.839 63.200 0.062 0.000 0.832 17 S HN 0.819 nan 8.310 nan 0.000 0.492 18 G N 1.393 110.096 108.800 -0.162 0.000 2.141 18 G HA2 -0.211 3.750 3.960 0.001 0.000 0.231 18 G HA3 -0.211 3.750 3.960 0.001 0.000 0.231 18 G C 0.554 175.407 174.900 -0.078 0.000 0.984 18 G CA 0.350 45.317 45.100 -0.222 0.000 0.660 18 G HN 0.519 nan 8.290 nan 0.000 0.525 19 I N -0.072 120.455 120.570 -0.072 0.000 3.526 19 I HA 0.204 4.375 4.170 0.001 0.000 0.294 19 I C 1.124 177.201 176.117 -0.067 0.000 1.229 19 I CA 1.144 62.421 61.300 -0.038 0.000 1.408 19 I CB 0.622 38.614 38.000 -0.014 0.000 1.127 19 I HN 0.162 nan 8.210 nan 0.000 0.439 20 T N -0.200 114.285 114.554 -0.115 0.000 2.906 20 T HA 0.282 4.632 4.350 0.001 0.000 0.295 20 T C -0.911 173.682 174.700 -0.178 0.000 1.075 20 T CA -0.653 61.380 62.100 -0.112 0.000 1.005 20 T CB 2.170 70.981 68.868 -0.094 0.000 1.136 20 T HN -0.170 nan 8.240 nan 0.000 0.498 21 D N 1.870 122.176 120.400 -0.156 0.000 2.357 21 D HA 0.202 4.843 4.640 0.001 0.000 0.242 21 D C 0.364 176.491 176.300 -0.287 0.000 1.153 21 D CA 0.024 53.883 54.000 -0.235 0.000 0.918 21 D CB 0.610 41.276 40.800 -0.222 0.000 1.181 21 D HN 0.362 nan 8.370 nan 0.000 0.435 22 Q N 0.036 119.590 119.800 -0.409 0.000 2.260 22 Q HA 0.537 4.877 4.340 0.001 0.000 0.242 22 Q C -0.516 175.246 176.000 -0.397 0.000 0.932 22 Q CA -0.517 55.014 55.803 -0.455 0.000 0.891 22 Q CB 1.382 29.688 28.738 -0.719 0.000 1.222 22 Q HN 0.479 nan 8.270 nan 0.000 0.453 23 S N -0.131 115.408 115.700 -0.267 0.000 2.543 23 S HA 0.186 4.657 4.470 0.001 0.000 0.271 23 S C -0.026 174.538 174.600 -0.059 0.000 1.148 23 S CA -0.917 57.193 58.200 -0.151 0.000 0.914 23 S CB 1.326 64.503 63.200 -0.038 0.000 1.096 23 S HN 0.725 nan 8.310 nan 0.000 0.471 24 N N 1.515 120.213 118.700 -0.004 0.000 2.149 24 N HA -0.152 4.589 4.740 0.001 0.000 0.188 24 N C 1.011 176.625 175.510 0.173 0.000 1.019 24 N CA 2.141 55.245 53.050 0.090 0.000 0.857 24 N CB -0.242 38.367 38.487 0.204 0.000 0.997 24 N HN 0.684 nan 8.380 nan 0.000 0.426 25 D N -0.675 119.809 120.400 0.140 0.000 2.104 25 D HA -0.123 4.517 4.640 0.001 0.000 0.194 25 D C 1.973 178.325 176.300 0.088 0.000 0.994 25 D CA 0.945 55.013 54.000 0.114 0.000 0.830 25 D CB -0.453 40.409 40.800 0.103 0.000 0.959 25 D HN 0.091 nan 8.370 nan 0.000 0.452 26 V N 0.591 120.559 119.914 0.091 0.000 2.358 26 V HA -0.198 3.922 4.120 0.001 0.000 0.246 26 V C 2.143 178.291 176.094 0.091 0.000 1.047 26 V CA 1.125 63.477 62.300 0.086 0.000 1.035 26 V CB -0.544 31.343 31.823 0.106 0.000 0.658 26 V HN 0.099 nan 8.190 nan 0.000 0.452 27 F N 1.466 121.413 119.950 -0.005 0.000 2.095 27 F HA -0.210 4.317 4.527 0.001 0.000 0.298 27 F C 2.431 178.164 175.800 -0.111 0.000 1.104 27 F CA 2.149 60.108 58.000 -0.068 0.000 1.232 27 F CB -0.149 38.830 39.000 -0.035 0.000 0.987 27 F HN 0.229 nan 8.300 nan 0.000 0.475 28 E N -0.433 119.830 120.200 0.106 0.000 2.208 28 E HA -0.177 4.173 4.350 0.001 0.000 0.193 28 E C 1.731 178.267 176.600 -0.106 0.000 0.988 28 E CA 1.024 57.437 56.400 0.023 0.000 0.828 28 E CB -0.251 29.535 29.700 0.143 0.000 0.763 28 E HN 0.506 nan 8.360 nan 0.000 0.478 29 D N 1.011 121.345 120.400 -0.110 0.000 2.117 29 D HA -0.101 4.540 4.640 0.001 0.000 0.198 29 D C 1.979 178.121 176.300 -0.263 0.000 0.982 29 D CA 1.149 55.056 54.000 -0.155 0.000 0.828 29 D CB -0.106 40.624 40.800 -0.116 0.000 0.967 29 D HN 0.121 nan 8.370 nan 0.000 0.464 30 A N 1.327 123.940 122.820 -0.344 0.000 1.902 30 A HA -0.088 4.232 4.320 0.001 0.000 0.217 30 A C 2.350 179.780 177.584 -0.257 0.000 1.181 30 A CA 2.273 54.045 52.037 -0.442 0.000 0.623 30 A CB -0.699 17.738 19.000 -0.937 0.000 0.818 30 A HN 0.238 nan 8.150 nan 0.000 0.443 31 A N -0.112 122.509 122.820 -0.331 0.000 1.908 31 A HA -0.194 4.126 4.320 0.001 0.000 0.218 31 A C 2.106 179.652 177.584 -0.063 0.000 1.181 31 A CA 1.912 53.853 52.037 -0.158 0.000 0.627 31 A CB -0.471 18.401 19.000 -0.213 0.000 0.818 31 A HN 0.562 nan 8.150 nan 0.000 0.445 32 K N -0.329 119.988 120.400 -0.138 0.000 2.097 32 K HA -0.064 4.257 4.320 0.001 0.000 0.206 32 K C 2.275 178.788 176.600 -0.145 0.000 1.049 32 K CA 1.118 57.310 56.287 -0.158 0.000 0.933 32 K CB -0.326 32.059 32.500 -0.193 0.000 0.717 32 K HN 0.454 nan 8.250 nan 0.000 0.442 33 A N 0.797 123.477 122.820 -0.233 0.000 1.898 33 A HA -0.130 4.191 4.320 0.001 0.000 0.216 33 A C 1.908 179.449 177.584 -0.072 0.000 1.181 33 A CA 1.192 53.027 52.037 -0.337 0.000 0.620 33 A CB -0.624 17.788 19.000 -0.979 0.000 0.819 33 A HN 0.164 nan 8.150 nan 0.000 0.442 34 F N 1.267 121.240 119.950 0.038 0.000 2.102 34 F HA -0.174 4.353 4.527 0.001 0.000 0.298 34 F C 2.981 178.785 175.800 0.007 0.000 1.105 34 F CA 1.830 59.854 58.000 0.041 0.000 1.239 34 F CB -0.425 38.486 39.000 -0.147 0.000 0.991 34 F HN 0.345 nan 8.300 nan 0.000 0.474 35 S N -1.075 114.717 115.700 0.153 0.000 2.481 35 S HA -0.115 4.355 4.470 0.001 0.000 0.231 35 S C 1.737 176.383 174.600 0.076 0.000 0.996 35 S CA 0.795 59.041 58.200 0.077 0.000 0.942 35 S CB -0.269 62.951 63.200 0.032 0.000 0.768 35 S HN 0.204 nan 8.310 nan 0.000 0.520 36 M N 0.074 119.717 119.600 0.072 0.000 2.465 36 M HA 0.413 4.893 4.480 0.001 0.000 0.249 36 M C -0.246 176.096 176.300 0.070 0.000 1.130 36 M CA -0.218 55.104 55.300 0.036 0.000 1.067 36 M CB -0.950 31.628 32.600 -0.036 0.000 1.394 36 M HN 0.267 nan 8.290 nan 0.000 0.483 37 F N 2.935 122.878 119.950 -0.012 0.000 2.533 37 F HA 0.037 4.564 4.527 0.001 0.000 0.378 37 F C 1.440 177.256 175.800 0.027 0.000 1.070 37 F CA -0.090 57.917 58.000 0.012 0.000 1.172 37 F CB 0.403 39.436 39.000 0.056 0.000 1.085 37 F HN 0.093 nan 8.300 nan 0.000 0.552 38 T N 2.512 117.042 114.554 -0.040 0.000 2.900 38 T HA 0.146 4.496 4.350 0.001 0.000 0.307 38 T C 1.525 176.302 174.700 0.128 0.000 1.065 38 T CA -0.617 61.500 62.100 0.028 0.000 1.105 38 T CB 1.030 69.882 68.868 -0.027 0.000 0.979 38 T HN 0.794 nan 8.240 nan 0.000 0.544 39 R N 1.040 121.626 120.500 0.143 0.000 2.080 39 R HA -0.112 4.228 4.340 0.001 0.000 0.236 39 R C 2.591 179.084 176.300 0.321 0.000 1.137 39 R CA 1.943 58.170 56.100 0.211 0.000 0.943 39 R CB -0.714 29.689 30.300 0.173 0.000 0.846 39 R HN 0.763 nan 8.270 nan 0.000 0.431 40 S N 0.648 116.509 115.700 0.267 0.000 2.447 40 S HA -0.098 4.372 4.470 0.001 0.000 0.233 40 S C 1.104 175.866 174.600 0.271 0.000 1.006 40 S CA 0.982 59.373 58.200 0.318 0.000 0.957 40 S CB -0.146 63.145 63.200 0.152 0.000 0.773 40 S HN 0.367 nan 8.310 nan 0.000 0.507 41 D N 1.145 121.634 120.400 0.147 0.000 2.178 41 D HA -0.042 4.598 4.640 0.001 0.000 0.202 41 D C 1.959 178.409 176.300 0.251 0.000 0.974 41 D CA 0.666 54.699 54.000 0.055 0.000 0.841 41 D CB -0.119 40.483 40.800 -0.331 0.000 0.953 41 D HN 0.220 nan 8.370 nan 0.000 0.478 42 V N 0.624 120.733 119.914 0.325 0.000 2.343 42 V HA -0.271 3.850 4.120 0.001 0.000 0.247 42 V C 2.034 178.179 176.094 0.085 0.000 1.051 42 V CA 1.436 63.869 62.300 0.222 0.000 1.036 42 V CB -0.805 31.026 31.823 0.013 0.000 0.654 42 V HN 0.196 nan 8.190 nan 0.000 0.451 43 Y N 0.439 120.869 120.300 0.216 0.000 2.293 43 Y HA -0.127 4.423 4.550 0.001 0.000 0.291 43 Y C 2.498 178.491 175.900 0.156 0.000 1.137 43 Y CA 1.281 59.496 58.100 0.191 0.000 1.202 43 Y CB -0.371 38.174 38.460 0.142 0.000 0.990 43 Y HN 0.157 nan 8.280 nan 0.000 0.537 44 K N -0.232 120.328 120.400 0.266 0.000 2.148 44 K HA -0.103 4.217 4.320 0.001 0.000 0.204 44 K C 2.352 179.051 176.600 0.165 0.000 1.050 44 K CA 0.927 57.321 56.287 0.178 0.000 0.942 44 K CB -0.286 32.284 32.500 0.117 0.000 0.724 44 K HN 0.285 nan 8.250 nan 0.000 0.446 45 A N 1.526 124.460 122.820 0.190 0.000 1.933 45 A HA -0.114 4.206 4.320 0.001 0.000 0.218 45 A C 2.082 179.748 177.584 0.136 0.000 1.175 45 A CA 1.107 53.247 52.037 0.171 0.000 0.628 45 A CB -0.537 18.593 19.000 0.217 0.000 0.814 45 A HN 0.149 nan 8.150 nan 0.000 0.444 46 L N -0.465 120.858 121.223 0.166 0.000 2.083 46 L HA -0.183 4.158 4.340 0.001 0.000 0.209 46 L C 1.920 178.929 176.870 0.232 0.000 1.083 46 L CA 1.328 56.294 54.840 0.210 0.000 0.752 46 L CB -0.732 41.497 42.059 0.283 0.000 0.899 46 L HN 0.327 nan 8.230 nan 0.000 0.433 47 D N 0.303 120.828 120.400 0.208 0.000 2.182 47 D HA -0.186 4.454 4.640 0.001 0.000 0.201 47 D C 1.973 178.354 176.300 0.135 0.000 0.986 47 D CA 1.126 55.237 54.000 0.185 0.000 0.847 47 D CB -0.047 40.841 40.800 0.147 0.000 0.942 47 D HN 0.460 nan 8.370 nan 0.000 0.467 48 E N 0.108 120.365 120.200 0.094 0.000 2.338 48 E HA -0.031 4.319 4.350 0.001 0.000 0.197 48 E C 0.634 177.231 176.600 -0.005 0.000 1.007 48 E CA 0.104 56.533 56.400 0.049 0.000 0.849 48 E CB 0.246 29.973 29.700 0.045 0.000 0.774 48 E HN 0.346 nan 8.360 nan 0.000 0.506 49 I N 4.023 124.561 120.570 -0.054 0.000 2.452 49 I HA 0.025 4.196 4.170 0.001 0.000 0.287 49 I C -1.857 174.109 176.117 -0.252 0.000 1.079 49 I CA -1.614 59.536 61.300 -0.250 0.000 1.387 49 I CB 0.496 38.176 38.000 -0.532 0.000 1.404 49 I HN -0.194 nan 8.210 nan 0.000 0.522 50 P HA 0.100 nan 4.420 nan 0.000 0.237 50 P C -0.395 176.844 177.300 -0.102 0.000 1.788 50 P CA -0.274 62.778 63.100 -0.080 0.000 1.061 50 P CB -0.359 31.301 31.700 -0.066 0.000 1.967 51 F N 1.061 121.043 119.950 0.055 0.000 2.629 51 F HA -0.024 4.504 4.527 0.001 0.000 0.369 51 F C 1.797 177.540 175.800 -0.096 0.000 1.125 51 F CA 0.925 58.934 58.000 0.014 0.000 1.330 51 F CB 0.189 39.301 39.000 0.188 0.000 1.071 51 F HN 0.152 nan 8.300 nan 0.000 0.595 52 S N 1.787 117.496 115.700 0.016 0.000 2.610 52 S HA 0.143 4.614 4.470 0.001 0.000 0.273 52 S C 1.002 175.553 174.600 -0.080 0.000 1.274 52 S CA -0.915 57.239 58.200 -0.076 0.000 1.023 52 S CB 0.826 63.903 63.200 -0.205 0.000 0.962 52 S HN 0.599 nan 8.310 nan 0.000 0.523 53 D N 1.963 122.318 120.400 -0.073 0.000 2.182 53 D HA -0.135 4.505 4.640 0.001 0.000 0.201 53 D C 1.289 177.505 176.300 -0.141 0.000 0.986 53 D CA 1.727 55.650 54.000 -0.128 0.000 0.847 53 D CB -0.429 40.328 40.800 -0.071 0.000 0.942 53 D HN 0.886 nan 8.370 nan 0.000 0.467 54 D N 0.241 120.618 120.400 -0.039 0.000 2.378 54 D HA -0.038 4.602 4.640 0.001 0.000 0.222 54 D C 1.363 177.648 176.300 -0.025 0.000 0.980 54 D CA 0.688 54.685 54.000 -0.005 0.000 0.907 54 D CB -0.231 40.616 40.800 0.080 0.000 0.899 54 D HN 0.117 nan 8.370 nan 0.000 0.527 55 A N -0.559 122.207 122.820 -0.089 0.000 2.345 55 A HA 0.346 4.666 4.320 0.001 0.000 0.225 55 A C 0.680 178.037 177.584 -0.378 0.000 1.243 55 A CA -0.259 51.726 52.037 -0.086 0.000 0.875 55 A CB -0.318 18.735 19.000 0.089 0.000 0.929 55 A HN 0.204 nan 8.150 nan 0.000 0.502 56 M N 0.543 119.797 119.600 -0.577 0.000 2.578 56 M HA 0.695 5.175 4.480 0.001 0.000 0.321 56 M C -0.595 175.490 176.300 -0.358 0.000 1.182 56 M CA -0.627 54.109 55.300 -0.939 0.000 0.965 56 M CB 2.037 33.867 32.600 -1.283 0.000 1.694 56 M HN 0.322 nan 8.290 nan 0.000 0.461 57 L N -0.755 120.369 121.223 -0.164 0.000 2.568 57 L HA 0.798 5.139 4.340 0.001 0.000 0.257 57 L C -2.920 174.027 176.870 0.128 0.000 1.024 57 L CA -2.198 52.654 54.840 0.020 0.000 0.854 57 L CB 1.264 43.368 42.059 0.076 0.000 1.460 57 L HN 0.346 nan 8.230 nan 0.000 0.409 58 P HA 0.320 nan 4.420 nan 0.000 0.263 58 P C -0.848 176.515 177.300 0.106 0.000 1.195 58 P CA 0.447 63.607 63.100 0.101 0.000 0.762 58 P CB 0.418 32.156 31.700 0.062 0.000 0.799 59 I N 6.090 126.724 120.570 0.107 0.000 2.307 59 I HA 0.209 4.380 4.170 0.001 0.000 0.289 59 I C -1.938 174.161 176.117 -0.031 0.000 1.021 59 I CA -2.460 58.866 61.300 0.042 0.000 1.224 59 I CB 1.184 39.217 38.000 0.054 0.000 1.376 59 I HN 0.149 nan 8.210 nan 0.000 0.470 60 P HA 0.007 nan 4.420 nan 0.000 0.255 60 P C -2.044 175.168 177.300 -0.147 0.000 1.173 60 P CA -0.626 62.392 63.100 -0.138 0.000 0.780 60 P CB 0.043 31.613 31.700 -0.217 0.000 0.758 61 P HA -0.171 nan 4.420 nan 0.000 0.219 61 P C 1.351 178.653 177.300 0.003 0.000 1.146 61 P CA 1.432 64.546 63.100 0.023 0.000 0.808 61 P CB -0.322 31.403 31.700 0.042 0.000 0.779 62 T N -3.720 110.799 114.554 -0.058 0.000 3.155 62 T HA -0.047 4.303 4.350 0.001 0.000 0.264 62 T C 1.649 176.285 174.700 -0.108 0.000 1.160 62 T CA 0.563 62.630 62.100 -0.053 0.000 1.075 62 T CB -1.209 67.623 68.868 -0.060 0.000 0.921 62 T HN 0.066 nan 8.240 nan 0.000 0.533 63 I N -0.649 119.768 120.570 -0.254 0.000 2.546 63 I HA -0.020 4.150 4.170 0.001 0.000 0.255 63 I C 1.552 177.488 176.117 -0.302 0.000 1.163 63 I CA 1.015 62.102 61.300 -0.356 0.000 1.457 63 I CB -0.079 37.564 38.000 -0.595 0.000 1.092 63 I HN 0.269 nan 8.210 nan 0.000 0.434 64 Y N -0.066 120.248 120.300 0.022 0.000 2.503 64 Y HA 0.042 4.593 4.550 0.001 0.000 0.277 64 Y C 1.516 177.450 175.900 0.057 0.000 1.102 64 Y CA -0.001 58.138 58.100 0.065 0.000 1.261 64 Y CB -0.368 38.172 38.460 0.133 0.000 1.096 64 Y HN 0.023 nan 8.280 nan 0.000 0.546 65 T N -0.187 114.474 114.554 0.179 0.000 2.910 65 T HA 0.469 4.819 4.350 0.001 0.000 0.323 65 T C -0.447 174.295 174.700 0.070 0.000 1.091 65 T CA -0.818 61.352 62.100 0.116 0.000 0.960 65 T CB 0.787 69.713 68.868 0.097 0.000 1.024 65 T HN -0.214 nan 8.240 nan 0.000 0.509 66 K N 3.506 123.946 120.400 0.066 0.000 2.267 66 K HA 0.608 4.928 4.320 0.001 0.000 0.246 66 K C -2.654 173.974 176.600 0.046 0.000 0.954 66 K CA -2.385 53.931 56.287 0.048 0.000 0.824 66 K CB 1.780 34.307 32.500 0.045 0.000 1.167 66 K HN 0.331 nan 8.250 nan 0.000 0.431 67 P HA 0.044 nan 4.420 nan 0.000 0.273 67 P C -0.262 177.071 177.300 0.054 0.000 1.250 67 P CA -0.305 62.832 63.100 0.061 0.000 0.793 67 P CB 0.487 32.253 31.700 0.110 0.000 1.011 68 S N 0.167 115.884 115.700 0.029 0.000 2.572 68 S HA 0.001 4.472 4.470 0.001 0.000 0.279 68 S C 1.552 176.132 174.600 -0.033 0.000 1.341 68 S CA -0.191 58.000 58.200 -0.014 0.000 1.043 68 S CB -0.025 63.134 63.200 -0.069 0.000 0.887 68 S HN 0.625 nan 8.310 nan 0.000 0.516 69 H N 3.413 122.369 119.070 -0.189 0.000 2.423 69 H HA -0.091 4.465 4.556 0.001 0.000 0.297 69 H C 1.491 176.905 175.328 0.144 0.000 1.075 69 H CA 1.739 57.638 56.048 -0.248 0.000 1.342 69 H CB -1.006 28.131 29.762 -1.042 0.000 1.395 69 H HN 0.820 nan 8.280 nan 0.000 0.530 70 D N 2.261 122.044 120.400 -1.027 0.000 2.170 70 D HA -0.224 4.417 4.640 0.001 0.000 0.193 70 D C 1.822 178.072 176.300 -0.083 0.000 1.004 70 D CA 2.371 56.053 54.000 -0.530 0.000 0.860 70 D CB -0.963 39.575 40.800 -0.437 0.000 0.931 70 D HN 0.528 nan 8.370 nan 0.000 0.448 71 S N -1.644 114.005 115.700 -0.085 0.000 2.607 71 S HA -0.024 4.447 4.470 0.001 0.000 0.224 71 S C 1.249 175.775 174.600 -0.123 0.000 0.969 71 S CA -0.113 58.019 58.200 -0.113 0.000 0.927 71 S CB -0.644 62.410 63.200 -0.243 0.000 0.772 71 S HN 0.314 nan 8.310 nan 0.000 0.533 72 Y N 0.255 120.632 120.300 0.128 0.000 2.457 72 Y HA 0.432 4.982 4.550 0.001 0.000 0.263 72 Y C 0.170 175.932 175.900 -0.230 0.000 1.164 72 Y CA -0.643 57.472 58.100 0.025 0.000 1.274 72 Y CB 0.087 38.511 38.460 -0.061 0.000 1.097 72 Y HN 0.249 nan 8.280 nan 0.000 0.523 73 Y N -1.245 119.175 120.300 0.200 0.000 2.665 73 Y HA 0.512 5.062 4.550 0.001 0.000 0.336 73 Y C -0.662 175.359 175.900 0.202 0.000 1.085 73 Y CA -1.954 56.244 58.100 0.165 0.000 1.096 73 Y CB 1.797 40.345 38.460 0.146 0.000 1.301 73 Y HN -0.109 nan 8.280 nan 0.000 0.493 74 Y N -1.570 118.849 120.300 0.199 0.000 2.750 74 Y HA 0.715 5.265 4.550 0.001 0.000 0.335 74 Y C -2.324 173.629 175.900 0.089 0.000 1.252 74 Y CA -1.791 56.367 58.100 0.096 0.000 1.064 74 Y CB 0.797 39.270 38.460 0.023 0.000 1.321 74 Y HN 0.304 nan 8.280 nan 0.000 0.451 75 I N 3.355 124.038 120.570 0.187 0.000 2.354 75 I HA 0.260 4.430 4.170 0.001 0.000 0.292 75 I C -0.483 175.739 176.117 0.176 0.000 0.989 75 I CA -0.568 60.761 61.300 0.048 0.000 1.188 75 I CB 0.957 39.002 38.000 0.075 0.000 1.342 75 I HN 0.849 nan 8.210 nan 0.000 0.457 76 D N 5.011 125.424 120.400 0.022 0.000 2.478 76 D HA 0.352 4.992 4.640 0.001 0.000 0.274 76 D C 1.141 177.493 176.300 0.087 0.000 1.234 76 D CA -0.475 53.628 54.000 0.173 0.000 1.069 76 D CB 0.618 41.472 40.800 0.091 0.000 1.113 76 D HN 0.462 nan 8.370 nan 0.000 0.571 77 A N -0.719 122.146 122.820 0.075 0.000 1.978 77 A HA -0.082 4.239 4.320 0.001 0.000 0.220 77 A C 2.048 179.638 177.584 0.010 0.000 1.170 77 A CA 1.065 53.125 52.037 0.037 0.000 0.636 77 A CB -0.912 18.106 19.000 0.031 0.000 0.810 77 A HN 0.537 nan 8.150 nan 0.000 0.448 78 L N -1.199 120.013 121.223 -0.019 0.000 2.653 78 L HA 0.127 4.468 4.340 0.001 0.000 0.232 78 L C 0.808 177.654 176.870 -0.039 0.000 1.169 78 L CA 0.286 55.102 54.840 -0.041 0.000 0.951 78 L CB -0.599 41.401 42.059 -0.099 0.000 1.181 78 L HN 0.539 nan 8.230 nan 0.000 0.460 79 N N 1.353 120.042 118.700 -0.018 0.000 2.741 79 N HA -0.205 4.536 4.740 0.001 0.000 0.251 79 N C -0.142 175.352 175.510 -0.027 0.000 1.112 79 N CA 0.637 53.683 53.050 -0.007 0.000 0.750 79 N CB -0.435 38.057 38.487 0.009 0.000 1.119 79 N HN 0.364 nan 8.380 nan 0.000 0.561 80 R N -0.245 120.208 120.500 -0.078 0.000 2.349 80 R HA 0.419 4.759 4.340 0.001 0.000 0.299 80 R C -0.101 176.136 176.300 -0.105 0.000 1.027 80 R CA -0.837 55.207 56.100 -0.093 0.000 0.958 80 R CB 1.260 31.436 30.300 -0.208 0.000 1.047 80 R HN -0.060 nan 8.270 nan 0.000 0.468 81 V N 4.983 124.868 119.914 -0.047 0.000 2.529 81 V HA 0.066 4.186 4.120 0.001 0.000 0.292 81 V C 0.702 176.748 176.094 -0.080 0.000 1.028 81 V CA 0.475 62.747 62.300 -0.045 0.000 1.074 81 V CB 0.154 31.990 31.823 0.021 0.000 0.958 81 V HN 0.605 nan 8.190 nan 0.000 0.481 82 R N 3.056 123.406 120.500 -0.250 0.000 2.912 82 R HA 0.589 4.929 4.340 0.001 0.000 0.262 82 R C -0.554 175.646 176.300 -0.167 0.000 1.057 82 R CA -1.365 54.551 56.100 -0.306 0.000 0.981 82 R CB 1.699 31.586 30.300 -0.689 0.000 1.201 82 R HN 0.561 nan 8.270 nan 0.000 0.484 83 R N 1.254 121.677 120.500 -0.128 0.000 2.357 83 R HA 0.153 4.493 4.340 0.001 0.000 0.296 83 R C -0.494 175.778 176.300 -0.047 0.000 1.052 83 R CA -0.137 55.836 56.100 -0.212 0.000 0.988 83 R CB 0.603 30.796 30.300 -0.178 0.000 1.025 83 R HN 0.148 nan 8.270 nan 0.000 0.469 84 K N 3.005 123.369 120.400 -0.059 0.000 2.262 84 K HA 0.207 4.527 4.320 0.001 0.000 0.282 84 K C -0.912 175.488 176.600 -0.333 0.000 1.066 84 K CA -0.151 56.099 56.287 -0.061 0.000 0.901 84 K CB 1.060 33.492 32.500 -0.113 0.000 1.089 84 K HN 0.714 nan 8.250 nan 0.000 0.476 85 T N 4.368 118.732 114.554 -0.317 0.000 2.901 85 T HA 0.174 4.524 4.350 0.001 0.000 0.301 85 T C 0.298 174.672 174.700 -0.543 0.000 1.012 85 T CA 0.297 62.207 62.100 -0.316 0.000 1.135 85 T CB 0.252 69.028 68.868 -0.155 0.000 0.936 85 T HN 0.451 nan 8.240 nan 0.000 0.539 86 Y N 0.319 120.556 120.300 -0.106 0.000 2.640 86 Y HA 0.219 4.770 4.550 0.001 0.000 0.274 86 Y C 1.997 177.821 175.900 -0.127 0.000 1.164 86 Y CA -0.384 57.648 58.100 -0.113 0.000 1.189 86 Y CB 0.529 38.922 38.460 -0.113 0.000 1.333 86 Y HN 0.392 nan 8.280 nan 0.000 0.494 87 Q N 0.771 120.517 119.800 -0.091 0.000 2.188 87 Q HA 0.479 4.819 4.340 0.001 0.000 0.212 87 Q C 0.426 176.417 176.000 -0.014 0.000 0.846 87 Q CA 0.556 56.263 55.803 -0.160 0.000 0.989 87 Q CB 1.012 29.349 28.738 -0.667 0.000 1.114 87 Q HN 0.505 nan 8.270 nan 0.000 0.488 88 G N 0.753 109.556 108.800 0.006 0.000 2.381 88 G HA2 -0.115 3.846 3.960 0.001 0.000 0.672 88 G HA3 -0.115 3.846 3.960 0.001 0.000 0.672 88 G C -2.519 172.437 174.900 0.094 0.000 1.324 88 G CA -0.934 44.224 45.100 0.098 0.000 0.975 88 G HN -0.122 nan 8.290 nan 0.000 0.593 89 P HA -0.033 nan 4.420 nan 0.000 0.218 89 P C 1.096 178.487 177.300 0.152 0.000 1.146 89 P CA 1.662 64.826 63.100 0.107 0.000 0.820 89 P CB 0.146 31.908 31.700 0.104 0.000 0.778 90 D N -1.375 119.184 120.400 0.266 0.000 2.249 90 D HA -0.085 4.555 4.640 0.001 0.000 0.205 90 D C 0.598 177.174 176.300 0.460 0.000 0.962 90 D CA 0.729 54.973 54.000 0.408 0.000 0.860 90 D CB -0.540 40.590 40.800 0.551 0.000 0.955 90 D HN 0.154 nan 8.370 nan 0.000 0.505 91 D N 0.936 121.438 120.400 0.170 0.000 2.738 91 D HA -0.046 4.594 4.640 0.001 0.000 0.226 91 D C 0.631 176.933 176.300 0.005 0.000 1.070 91 D CA 0.115 54.025 54.000 -0.149 0.000 1.153 91 D CB -0.220 40.295 40.800 -0.475 0.000 1.141 91 D HN -0.149 nan 8.370 nan 0.000 0.459 92 V N 1.687 121.666 119.914 0.107 0.000 3.432 92 V HA 0.118 4.238 4.120 0.001 0.000 0.298 92 V C 0.327 176.342 176.094 -0.132 0.000 1.464 92 V CA -0.186 62.082 62.300 -0.053 0.000 1.046 92 V CB -0.470 31.289 31.823 -0.106 0.000 0.887 92 V HN 0.273 nan 8.190 nan 0.000 0.441 93 Y N -0.367 120.005 120.300 0.119 0.000 2.433 93 Y HA 0.280 4.831 4.550 0.001 0.000 0.411 93 Y C 0.873 176.844 175.900 0.119 0.000 1.383 93 Y CA -0.158 58.022 58.100 0.134 0.000 1.896 93 Y CB 0.031 38.605 38.460 0.189 0.000 1.750 93 Y HN -0.211 nan 8.280 nan 0.000 0.627 94 V N 4.147 124.253 119.914 0.319 0.000 2.508 94 V HA 0.129 4.250 4.120 0.001 0.000 0.281 94 V C -2.034 174.186 176.094 0.210 0.000 1.041 94 V CA -1.564 60.891 62.300 0.258 0.000 1.016 94 V CB 0.357 32.306 31.823 0.210 0.000 0.984 94 V HN 0.447 nan 8.190 nan 0.000 0.478 95 P HA 0.228 nan 4.420 nan 0.000 0.281 95 P C -0.889 176.385 177.300 -0.045 0.000 1.249 95 P CA -0.767 62.244 63.100 -0.148 0.000 0.810 95 P CB 0.851 32.156 31.700 -0.658 0.000 1.008 96 N N 1.538 120.180 118.700 -0.095 0.000 2.508 96 N HA 0.185 4.926 4.740 0.001 0.000 0.253 96 N C -0.356 175.131 175.510 -0.038 0.000 1.145 96 N CA 0.161 53.213 53.050 0.004 0.000 0.973 96 N CB -0.762 37.745 38.487 0.033 0.000 1.305 96 N HN 0.378 nan 8.380 nan 0.000 0.506 97 C N -0.313 119.011 119.300 0.041 0.000 3.108 97 C HA 0.611 5.071 4.460 0.001 0.000 0.321 97 C C 0.805 175.849 174.990 0.091 0.000 1.357 97 C CA -1.015 58.017 59.018 0.023 0.000 1.562 97 C CB 1.063 28.727 27.740 -0.127 0.000 2.003 97 C HN 0.654 nan 8.230 nan 0.000 0.460 98 S N 0.021 115.755 115.700 0.058 0.000 2.606 98 S HA 0.472 4.943 4.470 0.001 0.000 0.257 98 S C -0.036 174.599 174.600 0.058 0.000 1.327 98 S CA 0.132 58.361 58.200 0.049 0.000 0.984 98 S CB 0.497 63.722 63.200 0.041 0.000 0.941 98 S HN 0.869 nan 8.310 nan 0.000 0.576 99 I N -1.045 119.497 120.570 -0.047 0.000 5.285 99 I HA 0.166 4.336 4.170 0.001 0.000 0.351 99 I C 1.411 177.422 176.117 -0.176 0.000 1.206 99 I CA 0.258 61.444 61.300 -0.189 0.000 1.527 99 I CB -0.244 37.349 38.000 -0.678 0.000 1.694 99 I HN 0.530 nan 8.210 nan 0.000 0.585 100 V N 3.093 122.950 119.914 -0.094 0.000 2.282 100 V HA -0.247 3.873 4.120 0.001 0.000 0.249 100 V C 2.497 178.583 176.094 -0.012 0.000 1.057 100 V CA 2.716 64.993 62.300 -0.038 0.000 1.032 100 V CB -0.628 31.192 31.823 -0.005 0.000 0.645 100 V HN 0.682 nan 8.190 nan 0.000 0.447 101 E N -0.421 119.781 120.200 0.004 0.000 2.396 101 E HA -0.219 4.132 4.350 0.001 0.000 0.200 101 E C 1.580 178.196 176.600 0.026 0.000 1.023 101 E CA 1.189 57.602 56.400 0.021 0.000 0.857 101 E CB -0.354 29.367 29.700 0.036 0.000 0.775 101 E HN 0.520 nan 8.360 nan 0.000 0.525 102 L N 0.633 121.860 121.223 0.008 0.000 2.640 102 L HA 0.326 4.666 4.340 0.001 0.000 0.230 102 L C 0.687 177.564 176.870 0.011 0.000 1.123 102 L CA 0.207 55.050 54.840 0.005 0.000 0.900 102 L CB -0.288 41.755 42.059 -0.026 0.000 1.146 102 L HN 0.064 nan 8.230 nan 0.000 0.484 103 L N -0.908 120.330 121.223 0.024 0.000 2.334 103 L HA 0.456 4.796 4.340 0.001 0.000 0.270 103 L C -0.032 176.887 176.870 0.080 0.000 1.018 103 L CA -0.631 54.254 54.840 0.075 0.000 0.811 103 L CB 1.381 43.508 42.059 0.114 0.000 1.271 103 L HN -0.020 nan 8.230 nan 0.000 0.443 104 E N 1.398 121.662 120.200 0.107 0.000 2.158 104 E HA 0.355 4.705 4.350 0.001 0.000 0.271 104 E C -2.443 174.213 176.600 0.093 0.000 0.911 104 E CA -1.993 54.455 56.400 0.080 0.000 0.767 104 E CB 1.593 31.335 29.700 0.071 0.000 1.120 104 E HN 0.302 nan 8.360 nan 0.000 0.405 105 P HA -0.146 nan 4.420 nan 0.000 0.266 105 P C -0.535 176.786 177.300 0.035 0.000 1.193 105 P CA 0.373 63.506 63.100 0.054 0.000 0.770 105 P CB 0.372 32.088 31.700 0.027 0.000 0.836 106 H N 3.084 122.095 119.070 -0.099 0.000 2.690 106 H HA 0.071 4.627 4.556 0.001 0.000 0.365 106 H C 1.046 176.308 175.328 -0.109 0.000 1.142 106 H CA 0.367 56.292 56.048 -0.205 0.000 1.417 106 H CB 0.828 30.275 29.762 -0.525 0.000 1.446 106 H HN 0.513 nan 8.280 nan 0.000 0.599 107 E N 1.823 121.654 120.200 -0.616 0.000 2.012 107 E HA -0.151 4.200 4.350 0.001 0.000 0.197 107 E C 1.533 178.148 176.600 0.025 0.000 1.007 107 E CA 2.221 58.465 56.400 -0.260 0.000 0.816 107 E CB 0.102 29.618 29.700 -0.307 0.000 0.762 107 E HN 0.684 nan 8.360 nan 0.000 0.451 108 T N 1.052 115.760 114.554 0.257 0.000 2.937 108 T HA 0.059 4.410 4.350 0.001 0.000 0.260 108 T C 1.087 175.894 174.700 0.177 0.000 1.051 108 T CA 0.401 62.640 62.100 0.233 0.000 1.141 108 T CB 0.101 69.099 68.868 0.216 0.000 0.879 108 T HN -0.010 nan 8.240 nan 0.000 0.459 109 L N 3.531 124.871 121.223 0.194 0.000 2.466 109 L HA 0.223 4.563 4.340 0.001 0.000 0.248 109 L C 2.006 178.935 176.870 0.099 0.000 1.240 109 L CA -0.405 54.445 54.840 0.017 0.000 1.180 109 L CB -0.261 41.652 42.059 -0.244 0.000 1.413 109 L HN 0.313 nan 8.230 nan 0.000 0.406 110 T N -3.963 110.636 114.554 0.075 0.000 2.802 110 T HA -0.225 4.126 4.350 0.001 0.000 0.269 110 T C 1.624 176.315 174.700 -0.015 0.000 1.062 110 T CA 1.808 63.929 62.100 0.034 0.000 1.133 110 T CB -0.126 68.750 68.868 0.013 0.000 0.852 110 T HN 0.407 nan 8.240 nan 0.000 0.485 111 S N 0.108 115.767 115.700 -0.068 0.000 2.593 111 S HA 0.309 4.779 4.470 0.001 0.000 0.217 111 S C -0.482 173.855 174.600 -0.439 0.000 0.966 111 S CA -0.438 57.617 58.200 -0.242 0.000 0.914 111 S CB -0.202 62.801 63.200 -0.327 0.000 0.776 111 S HN 0.616 nan 8.310 nan 0.000 0.523 112 Y N 0.188 120.481 120.300 -0.011 0.000 2.549 112 Y HA 0.693 5.244 4.550 0.001 0.000 0.339 112 Y C 0.632 176.556 175.900 0.041 0.000 1.053 112 Y CA -0.939 57.176 58.100 0.026 0.000 1.105 112 Y CB 1.643 40.064 38.460 -0.065 0.000 1.258 112 Y HN 0.016 nan 8.280 nan 0.000 0.478 113 G N 1.167 110.186 108.800 0.366 0.000 2.660 113 G HA2 0.679 4.639 3.960 0.001 0.000 0.294 113 G HA3 0.679 4.639 3.960 0.001 0.000 0.294 113 G C -1.991 173.297 174.900 0.646 0.000 1.369 113 G CA -1.015 44.297 45.100 0.353 0.000 0.912 113 G HN 0.560 nan 8.290 nan 0.000 0.479 114 R N 0.082 120.924 120.500 0.570 0.000 2.873 114 R HA 0.641 4.982 4.340 0.001 0.000 0.264 114 R C -0.446 176.032 176.300 0.296 0.000 1.026 114 R CA -0.868 55.562 56.100 0.550 0.000 1.002 114 R CB 1.576 32.255 30.300 0.633 0.000 1.174 114 R HN 0.504 nan 8.270 nan 0.000 0.488 115 L N 2.025 123.375 121.223 0.213 0.000 2.578 115 L HA 0.032 4.372 4.340 0.001 0.000 0.279 115 L C -0.151 176.777 176.870 0.097 0.000 1.227 115 L CA 0.994 55.900 54.840 0.110 0.000 0.900 115 L CB 0.722 42.825 42.059 0.072 0.000 1.144 115 L HN 0.642 nan 8.230 nan 0.000 0.496 116 S N 3.657 119.397 115.700 0.068 0.000 2.596 116 S HA -0.069 4.402 4.470 0.001 0.000 0.298 116 S C 1.219 175.848 174.600 0.048 0.000 1.255 116 S CA 0.593 58.828 58.200 0.058 0.000 1.083 116 S CB -0.045 63.180 63.200 0.042 0.000 0.837 116 S HN 0.936 nan 8.310 nan 0.000 0.499 117 E N 4.179 124.409 120.200 0.049 0.000 2.153 117 E HA -0.159 4.191 4.350 0.001 0.000 0.194 117 E C 1.998 178.614 176.600 0.028 0.000 0.988 117 E CA 1.197 57.620 56.400 0.038 0.000 0.811 117 E CB -0.291 29.430 29.700 0.035 0.000 0.746 117 E HN 0.880 nan 8.360 nan 0.000 0.466 118 A N 1.156 123.992 122.820 0.027 0.000 1.898 118 A HA -0.135 4.185 4.320 0.001 0.000 0.216 118 A C 2.137 179.735 177.584 0.022 0.000 1.181 118 A CA 1.086 53.137 52.037 0.022 0.000 0.620 118 A CB -0.534 18.479 19.000 0.022 0.000 0.819 118 A HN 0.291 nan 8.150 nan 0.000 0.442 119 I N -0.426 120.159 120.570 0.025 0.000 2.286 119 I HA -0.243 3.927 4.170 0.001 0.000 0.248 119 I C 2.481 178.609 176.117 0.019 0.000 1.115 119 I CA 1.432 62.746 61.300 0.023 0.000 1.392 119 I CB -0.454 37.560 38.000 0.022 0.000 1.065 119 I HN 0.432 nan 8.210 nan 0.000 0.418 120 E N 0.868 121.080 120.200 0.019 0.000 2.106 120 E HA -0.179 4.171 4.350 0.001 0.000 0.192 120 E C 1.796 178.404 176.600 0.013 0.000 0.984 120 E CA 1.244 57.653 56.400 0.015 0.000 0.806 120 E CB -0.185 29.525 29.700 0.017 0.000 0.750 120 E HN 0.630 nan 8.360 nan 0.000 0.458 121 N N 0.444 119.152 118.700 0.014 0.000 2.216 121 N HA -0.094 4.646 4.740 0.001 0.000 0.183 121 N C 1.925 177.443 175.510 0.012 0.000 1.017 121 N CA 0.287 53.344 53.050 0.011 0.000 0.861 121 N CB -0.005 38.489 38.487 0.011 0.000 0.986 121 N HN -0.027 nan 8.380 nan 0.000 0.428 122 R N 0.855 121.364 120.500 0.015 0.000 2.120 122 R HA -0.021 4.320 4.340 0.001 0.000 0.234 122 R C 1.943 178.253 176.300 0.017 0.000 1.123 122 R CA 1.164 57.273 56.100 0.016 0.000 0.975 122 R CB -0.039 30.272 30.300 0.020 0.000 0.866 122 R HN 0.196 nan 8.270 nan 0.000 0.446 123 A N 0.766 123.596 122.820 0.016 0.000 1.930 123 A HA -0.074 4.247 4.320 0.001 0.000 0.215 123 A C 1.818 179.409 177.584 0.013 0.000 1.176 123 A CA 0.947 52.993 52.037 0.015 0.000 0.632 123 A CB -0.101 18.907 19.000 0.013 0.000 0.819 123 A HN 0.239 nan 8.150 nan 0.000 0.445 124 K N 0.353 120.759 120.400 0.010 0.000 2.097 124 K HA -0.163 4.158 4.320 0.001 0.000 0.206 124 K C 0.902 177.508 176.600 0.009 0.000 1.049 124 K CA 1.556 57.848 56.287 0.007 0.000 0.933 124 K CB -0.275 32.227 32.500 0.004 0.000 0.717 124 K HN 0.734 nan 8.250 nan 0.000 0.442 125 D N -1.144 119.262 120.400 0.010 0.000 2.319 125 D HA 0.068 4.709 4.640 0.001 0.000 0.230 125 D C 0.851 177.159 176.300 0.013 0.000 1.094 125 D CA 0.488 54.494 54.000 0.010 0.000 0.856 125 D CB 0.448 41.254 40.800 0.010 0.000 0.915 125 D HN 0.250 nan 8.370 nan 0.000 0.517 126 G N 0.263 109.072 108.800 0.015 0.000 2.176 126 G HA2 -0.279 3.681 3.960 0.001 0.000 0.232 126 G HA3 -0.279 3.681 3.960 0.001 0.000 0.232 126 G C -0.186 174.726 174.900 0.020 0.000 0.986 126 G CA -0.167 44.943 45.100 0.018 0.000 0.643 126 G HN 0.579 nan 8.290 nan 0.000 0.522 127 D N 0.249 120.661 120.400 0.020 0.000 2.455 127 D HA 0.497 5.137 4.640 0.001 0.000 0.241 127 D C 1.537 177.854 176.300 0.028 0.000 1.138 127 D CA 0.926 54.940 54.000 0.024 0.000 0.877 127 D CB 0.948 41.762 40.800 0.024 0.000 1.187 127 D HN 0.023 nan 8.370 nan 0.000 0.451 128 S N 2.400 118.119 115.700 0.032 0.000 2.355 128 S HA -0.209 4.261 4.470 0.001 0.000 0.222 128 S C 1.680 176.308 174.600 0.047 0.000 1.031 128 S CA 1.340 59.563 58.200 0.038 0.000 0.993 128 S CB -0.222 63.003 63.200 0.041 0.000 0.859 128 S HN 0.692 nan 8.310 nan 0.000 0.453 129 Q N 0.091 119.919 119.800 0.048 0.000 2.084 129 Q HA -0.058 4.283 4.340 0.001 0.000 0.202 129 Q C 2.151 178.193 176.000 0.071 0.000 0.978 129 Q CA 1.444 57.284 55.803 0.062 0.000 0.844 129 Q CB -0.411 28.358 28.738 0.053 0.000 0.898 129 Q HN 0.644 nan 8.270 nan 0.000 0.426 130 A N 0.862 123.712 122.820 0.050 0.000 1.898 130 A HA -0.155 4.166 4.320 0.001 0.000 0.216 130 A C 2.027 179.625 177.584 0.024 0.000 1.181 130 A CA 1.228 53.288 52.037 0.040 0.000 0.620 130 A CB -0.427 18.591 19.000 0.029 0.000 0.819 130 A HN 0.349 nan 8.150 nan 0.000 0.442 131 R N -0.447 120.067 120.500 0.023 0.000 2.103 131 R HA -0.134 4.207 4.340 0.001 0.000 0.242 131 R C 1.893 178.185 176.300 -0.014 0.000 1.142 131 R CA 1.541 57.647 56.100 0.010 0.000 0.960 131 R CB -0.447 29.864 30.300 0.018 0.000 0.858 131 R HN 0.446 nan 8.270 nan 0.000 0.439 132 I N 0.522 121.093 120.570 0.002 0.000 2.179 132 I HA -0.198 3.973 4.170 0.001 0.000 0.242 132 I C 2.506 178.562 176.117 -0.102 0.000 1.088 132 I CA 1.404 62.678 61.300 -0.044 0.000 1.357 132 I CB -1.441 36.608 38.000 0.082 0.000 1.051 132 I HN 0.151 nan 8.210 nan 0.000 0.409 133 A N 0.206 123.029 122.820 0.005 0.000 1.930 133 A HA -0.165 4.156 4.320 0.001 0.000 0.217 133 A C 2.416 179.906 177.584 -0.157 0.000 1.175 133 A CA 2.201 54.129 52.037 -0.182 0.000 0.627 133 A CB -0.999 17.977 19.000 -0.040 0.000 0.815 133 A HN 0.417 nan 8.150 nan 0.000 0.443 134 T N -0.309 114.201 114.554 -0.073 0.000 2.777 134 T HA -0.097 4.254 4.350 0.001 0.000 0.266 134 T C 2.023 176.696 174.700 -0.046 0.000 1.040 134 T CA 1.844 63.917 62.100 -0.044 0.000 1.141 134 T CB -0.457 68.404 68.868 -0.010 0.000 0.868 134 T HN 0.552 nan 8.240 nan 0.000 0.444 135 T N 1.179 115.688 114.554 -0.074 0.000 2.652 135 T HA -0.132 4.218 4.350 0.001 0.000 0.267 135 T C 1.628 176.280 174.700 -0.080 0.000 1.039 135 T CA 1.428 63.495 62.100 -0.055 0.000 1.153 135 T CB -0.548 68.254 68.868 -0.110 0.000 0.863 135 T HN 0.456 nan 8.240 nan 0.000 0.428 136 Y N 2.062 122.137 120.300 -0.374 0.000 2.097 136 Y HA -0.082 4.469 4.550 0.001 0.000 0.282 136 Y C 2.524 178.338 175.900 -0.144 0.000 1.152 136 Y CA 1.325 59.257 58.100 -0.279 0.000 1.136 136 Y CB -1.030 37.170 38.460 -0.434 0.000 0.975 136 Y HN 0.163 nan 8.280 nan 0.000 0.498 137 G N 0.181 108.798 108.800 -0.306 0.000 2.459 137 G HA2 -0.285 3.675 3.960 0.001 0.000 0.217 137 G HA3 -0.285 3.675 3.960 0.001 0.000 0.217 137 G C 1.815 176.638 174.900 -0.127 0.000 1.183 137 G CA 1.091 46.014 45.100 -0.295 0.000 0.776 137 G HN 0.403 nan 8.290 nan 0.000 0.552 138 R N -0.696 119.792 120.500 -0.020 0.000 2.075 138 R HA 0.018 4.358 4.340 0.001 0.000 0.232 138 R C 2.456 178.795 176.300 0.065 0.000 1.126 138 R CA 1.054 57.226 56.100 0.120 0.000 0.963 138 R CB -0.384 30.065 30.300 0.249 0.000 0.858 138 R HN 0.390 nan 8.270 nan 0.000 0.435 139 I N 0.736 121.275 120.570 -0.052 0.000 2.353 139 I HA -0.118 4.052 4.170 0.001 0.000 0.248 139 I C 2.098 178.125 176.117 -0.150 0.000 1.119 139 I CA 0.991 62.172 61.300 -0.199 0.000 1.417 139 I CB -0.288 37.670 38.000 -0.068 0.000 1.078 139 I HN 0.093 nan 8.210 nan 0.000 0.421 140 A N -0.169 122.555 122.820 -0.161 0.000 1.902 140 A HA -0.266 4.054 4.320 0.001 0.000 0.217 140 A C 2.340 179.987 177.584 0.104 0.000 1.181 140 A CA 1.878 53.872 52.037 -0.071 0.000 0.623 140 A CB -0.832 17.971 19.000 -0.329 0.000 0.818 140 A HN 0.591 nan 8.150 nan 0.000 0.443 141 E N -0.228 120.050 120.200 0.129 0.000 2.023 141 E HA -0.222 4.128 4.350 0.001 0.000 0.196 141 E C 2.189 178.772 176.600 -0.028 0.000 1.003 141 E CA 1.634 58.083 56.400 0.081 0.000 0.809 141 E CB -0.349 29.411 29.700 0.099 0.000 0.755 141 E HN 0.492 nan 8.360 nan 0.000 0.449 142 S N 0.060 115.729 115.700 -0.051 0.000 2.372 142 S HA -0.345 4.126 4.470 0.001 0.000 0.227 142 S C 2.136 176.688 174.600 -0.079 0.000 1.044 142 S CA 2.148 60.288 58.200 -0.100 0.000 1.050 142 S CB -0.451 62.473 63.200 -0.460 0.000 0.901 142 S HN 0.510 nan 8.310 nan 0.000 0.447 143 Q N 0.093 119.843 119.800 -0.082 0.000 2.135 143 Q HA -0.082 4.259 4.340 0.001 0.000 0.204 143 Q C 2.067 178.036 176.000 -0.053 0.000 0.981 143 Q CA 1.581 57.365 55.803 -0.033 0.000 0.856 143 Q CB -0.495 28.242 28.738 -0.001 0.000 0.902 143 Q HN 0.676 nan 8.270 nan 0.000 0.425 144 A N 0.426 123.173 122.820 -0.122 0.000 2.119 144 A HA -0.058 4.263 4.320 0.001 0.000 0.217 144 A C 1.806 179.388 177.584 -0.005 0.000 1.153 144 A CA 0.802 52.694 52.037 -0.241 0.000 0.692 144 A CB -0.180 18.470 19.000 -0.582 0.000 0.799 144 A HN 0.317 nan 8.150 nan 0.000 0.458 145 R N -0.341 120.191 120.500 0.054 0.000 2.310 145 R HA 0.057 4.397 4.340 0.001 0.000 0.202 145 R C 0.228 176.654 176.300 0.210 0.000 0.933 145 R CA 0.035 56.260 56.100 0.207 0.000 1.054 145 R CB 0.161 30.526 30.300 0.108 0.000 0.985 145 R HN 0.389 nan 8.270 nan 0.000 0.489 146 Q N 1.405 121.277 119.800 0.119 0.000 2.336 146 Q HA 0.087 4.427 4.340 0.001 0.000 0.231 146 Q C 0.209 176.280 176.000 0.120 0.000 0.900 146 Q CA 0.546 56.407 55.803 0.097 0.000 0.966 146 Q CB -0.713 28.108 28.738 0.139 0.000 1.219 146 Q HN 0.485 nan 8.270 nan 0.000 0.412 147 I N -4.390 116.232 120.570 0.086 0.000 3.074 147 I HA 0.382 4.553 4.170 0.001 0.000 0.310 147 I C 0.589 176.653 176.117 -0.088 0.000 1.153 147 I CA -1.190 60.108 61.300 -0.005 0.000 0.993 147 I CB 1.777 39.749 38.000 -0.047 0.000 1.237 147 I HN -0.273 nan 8.210 nan 0.000 0.443 148 K N 1.595 121.954 120.400 -0.069 0.000 2.116 148 K HA 0.410 4.731 4.320 0.001 0.000 0.203 148 K C 0.534 177.048 176.600 -0.143 0.000 1.052 148 K CA 1.252 57.514 56.287 -0.042 0.000 0.952 148 K CB 0.126 32.666 32.500 0.066 0.000 0.729 148 K HN 0.767 nan 8.250 nan 0.000 0.446 149 A N 0.546 123.263 122.820 -0.173 0.000 2.536 149 A HA 0.439 4.759 4.320 0.001 0.000 0.293 149 A C -2.920 174.549 177.584 -0.192 0.000 1.119 149 A CA -1.315 50.591 52.037 -0.218 0.000 0.654 149 A CB 0.564 19.700 19.000 0.228 0.000 1.291 149 A HN -0.209 nan 8.150 nan 0.000 0.439 150 P HA 0.212 nan 4.420 nan 0.000 0.264 150 P C 0.878 178.284 177.300 0.177 0.000 1.193 150 P CA 0.024 63.161 63.100 0.062 0.000 0.763 150 P CB 0.297 32.061 31.700 0.106 0.000 0.810 151 L N 2.304 123.622 121.223 0.159 0.000 2.081 151 L HA -0.251 4.089 4.340 0.001 0.000 0.212 151 L C 1.830 178.799 176.870 0.164 0.000 1.080 151 L CA 1.737 56.707 54.840 0.217 0.000 0.754 151 L CB -0.687 41.499 42.059 0.212 0.000 0.893 151 L HN 0.408 nan 8.230 nan 0.000 0.433 152 E N -0.100 120.162 120.200 0.103 0.000 2.209 152 E HA -0.191 4.160 4.350 0.001 0.000 0.196 152 E C 2.129 178.709 176.600 -0.033 0.000 0.993 152 E CA 0.819 57.229 56.400 0.015 0.000 0.819 152 E CB -0.031 29.697 29.700 0.046 0.000 0.745 152 E HN 0.269 nan 8.360 nan 0.000 0.477 153 K N -0.301 120.064 120.400 -0.057 0.000 2.031 153 K HA -0.055 4.266 4.320 0.001 0.000 0.205 153 K C 1.957 178.381 176.600 -0.293 0.000 1.049 153 K CA 1.018 57.122 56.287 -0.305 0.000 0.939 153 K CB -0.425 31.756 32.500 -0.532 0.000 0.717 153 K HN 0.215 nan 8.250 nan 0.000 0.438 154 F N 0.904 120.832 119.950 -0.036 0.000 2.171 154 F HA -0.167 4.361 4.527 0.001 0.000 0.300 154 F C 2.416 178.223 175.800 0.011 0.000 1.090 154 F CA 0.672 58.696 58.000 0.040 0.000 1.293 154 F CB -0.644 38.403 39.000 0.078 0.000 1.013 154 F HN -0.240 nan 8.300 nan 0.000 0.486 155 V N -0.349 119.610 119.914 0.076 0.000 2.323 155 V HA -0.235 3.885 4.120 0.001 0.000 0.244 155 V C 2.289 178.353 176.094 -0.050 0.000 1.041 155 V CA 1.289 63.555 62.300 -0.056 0.000 1.025 155 V CB -0.636 31.048 31.823 -0.231 0.000 0.656 155 V HN 0.233 nan 8.190 nan 0.000 0.451 156 L N 1.026 122.196 121.223 -0.088 0.000 2.012 156 L HA -0.136 4.205 4.340 0.001 0.000 0.210 156 L C 2.484 179.304 176.870 -0.083 0.000 1.073 156 L CA 2.479 57.236 54.840 -0.139 0.000 0.748 156 L CB -1.056 40.915 42.059 -0.147 0.000 0.891 156 L HN 0.245 nan 8.230 nan 0.000 0.431 157 A N -0.824 121.954 122.820 -0.070 0.000 1.908 157 A HA -0.230 4.091 4.320 0.001 0.000 0.218 157 A C 2.252 179.882 177.584 0.076 0.000 1.181 157 A CA 1.973 53.950 52.037 -0.099 0.000 0.627 157 A CB -1.071 17.693 19.000 -0.393 0.000 0.818 157 A HN 0.485 nan 8.150 nan 0.000 0.445 158 L N -0.263 121.110 121.223 0.250 0.000 2.083 158 L HA -0.114 4.226 4.340 0.001 0.000 0.209 158 L C 2.248 179.176 176.870 0.096 0.000 1.083 158 L CA 1.627 56.640 54.840 0.288 0.000 0.752 158 L CB -0.484 41.673 42.059 0.164 0.000 0.899 158 L HN 0.416 nan 8.230 nan 0.000 0.433 159 L N -2.058 119.166 121.223 0.001 0.000 2.056 159 L HA -0.186 4.155 4.340 0.001 0.000 0.207 159 L C 2.412 179.227 176.870 -0.093 0.000 1.078 159 L CA 0.899 55.708 54.840 -0.051 0.000 0.749 159 L CB -0.618 41.385 42.059 -0.094 0.000 0.901 159 L HN 0.091 nan 8.230 nan 0.000 0.433 160 V N 0.021 119.829 119.914 -0.176 0.000 2.307 160 V HA -0.271 3.850 4.120 0.001 0.000 0.245 160 V C 2.736 178.794 176.094 -0.061 0.000 1.045 160 V CA 1.813 63.973 62.300 -0.233 0.000 1.024 160 V CB -0.773 30.765 31.823 -0.474 0.000 0.651 160 V HN 0.471 nan 8.190 nan 0.000 0.449 161 A N -0.494 122.337 122.820 0.019 0.000 1.902 161 A HA -0.184 4.136 4.320 0.001 0.000 0.217 161 A C 2.132 179.750 177.584 0.057 0.000 1.181 161 A CA 1.575 53.650 52.037 0.065 0.000 0.623 161 A CB -0.369 18.746 19.000 0.191 0.000 0.818 161 A HN 0.515 nan 8.150 nan 0.000 0.443 162 E N -0.134 120.099 120.200 0.054 0.000 2.358 162 E HA 0.041 4.391 4.350 0.001 0.000 0.195 162 E C 1.985 178.592 176.600 0.011 0.000 1.010 162 E CA 0.840 57.261 56.400 0.036 0.000 0.856 162 E CB -0.430 29.290 29.700 0.034 0.000 0.795 162 E HN 0.579 nan 8.360 nan 0.000 0.504 163 A N 0.831 123.649 122.820 -0.004 0.000 2.216 163 A HA 0.010 4.331 4.320 0.001 0.000 0.214 163 A C 2.173 179.756 177.584 -0.002 0.000 1.160 163 A CA 1.215 53.247 52.037 -0.008 0.000 0.725 163 A CB -0.548 18.445 19.000 -0.011 0.000 0.784 163 A HN 0.256 nan 8.150 nan 0.000 0.472 164 G N -1.216 107.587 108.800 0.004 0.000 2.813 164 G HA2 0.416 4.376 3.960 0.001 0.000 0.209 164 G HA3 0.416 4.376 3.960 0.001 0.000 0.209 164 G C 1.005 175.921 174.900 0.026 0.000 1.150 164 G CA 0.580 45.687 45.100 0.011 0.000 0.785 164 G HN 1.521 nan 8.290 nan 0.000 0.535 165 G N -0.223 108.587 108.800 0.017 0.000 2.750 165 G HA2 -0.146 3.815 3.960 0.001 0.000 0.228 165 G HA3 -0.146 3.815 3.960 0.001 0.000 0.228 165 G C 0.174 175.096 174.900 0.037 0.000 1.367 165 G CA -0.275 44.832 45.100 0.011 0.000 0.871 165 G HN 0.748 nan 8.290 nan 0.000 0.560 166 S N -0.529 115.191 115.700 0.032 0.000 2.563 166 S HA 0.374 4.844 4.470 0.001 0.000 0.284 166 S C 0.420 175.148 174.600 0.213 0.000 1.331 166 S CA -0.214 58.039 58.200 0.088 0.000 1.047 166 S CB 0.750 64.002 63.200 0.086 0.000 0.859 166 S HN 0.656 nan 8.310 nan 0.000 0.514 167 L N 2.728 124.016 121.223 0.108 0.000 2.309 167 L HA 0.386 4.726 4.340 0.001 0.000 0.282 167 L C -0.372 176.447 176.870 -0.086 0.000 1.036 167 L CA -0.557 54.290 54.840 0.011 0.000 0.806 167 L CB 0.544 42.428 42.059 -0.292 0.000 1.220 167 L HN 0.647 nan 8.230 nan 0.000 0.429 168 Y N 3.286 123.362 120.300 -0.372 0.000 2.436 168 Y HA 0.148 4.698 4.550 0.001 0.000 0.343 168 Y C 0.374 175.986 175.900 -0.481 0.000 1.008 168 Y CA -0.483 57.215 58.100 -0.670 0.000 1.241 168 Y CB 0.385 38.359 38.460 -0.809 0.000 1.153 168 Y HN 0.576 nan 8.280 nan 0.000 0.521 169 D N 8.752 128.680 120.400 -0.787 0.000 2.339 169 D HA 0.108 4.748 4.640 0.001 0.000 0.256 169 D C -1.951 173.951 176.300 -0.663 0.000 1.214 169 D CA -1.762 51.856 54.000 -0.637 0.000 0.877 169 D CB 1.924 42.467 40.800 -0.428 0.000 1.111 169 D HN 0.388 nan 8.370 nan 0.000 0.478 170 P HA -0.134 nan 4.420 nan 0.000 0.218 170 P C 1.448 178.679 177.300 -0.116 0.000 1.148 170 P CA 0.496 63.514 63.100 -0.136 0.000 0.822 170 P CB 0.440 32.210 31.700 0.117 0.000 0.784 171 V N -0.874 118.999 119.914 -0.069 0.000 2.379 171 V HA -0.090 4.030 4.120 0.001 0.000 0.243 171 V C 2.332 178.365 176.094 -0.102 0.000 1.035 171 V CA 1.295 63.564 62.300 -0.052 0.000 1.035 171 V CB -1.050 30.770 31.823 -0.005 0.000 0.673 171 V HN 0.026 nan 8.190 nan 0.000 0.457 172 L N -0.710 120.421 121.223 -0.154 0.000 2.313 172 L HA -0.002 4.338 4.340 0.001 0.000 0.214 172 L C 1.076 177.820 176.870 -0.209 0.000 1.119 172 L CA 0.630 55.374 54.840 -0.160 0.000 0.809 172 L CB -0.499 41.459 42.059 -0.167 0.000 0.933 172 L HN 0.435 nan 8.230 nan 0.000 0.449 173 Q N 0.761 120.333 119.800 -0.380 0.000 2.468 173 Q HA -0.214 4.126 4.340 0.001 0.000 0.289 173 Q C -0.568 175.265 176.000 -0.279 0.000 1.299 173 Q CA 0.791 56.334 55.803 -0.432 0.000 0.838 173 Q CB -1.434 27.258 28.738 -0.077 0.000 1.195 173 Q HN 0.646 nan 8.270 nan 0.000 0.456 174 K N -2.335 117.779 120.400 -0.476 0.000 2.575 174 K HA 0.563 4.883 4.320 0.001 0.000 0.279 174 K C -1.262 175.247 176.600 -0.153 0.000 0.969 174 K CA -1.031 55.202 56.287 -0.089 0.000 0.868 174 K CB 0.788 33.281 32.500 -0.011 0.000 1.457 174 K HN -0.032 nan 8.250 nan 0.000 0.426 175 Y N 1.360 121.730 120.300 0.116 0.000 2.326 175 Y HA 0.098 4.649 4.550 0.001 0.000 0.333 175 Y C 0.487 176.360 175.900 -0.044 0.000 1.240 175 Y CA 0.222 58.355 58.100 0.054 0.000 1.365 175 Y CB 0.720 39.224 38.460 0.074 0.000 1.289 175 Y HN 0.789 nan 8.280 nan 0.000 0.548 176 D N -0.230 120.209 120.400 0.066 0.000 2.360 176 D HA 0.071 4.711 4.640 0.001 0.000 0.242 176 D C -0.499 175.813 176.300 0.019 0.000 1.184 176 D CA -0.390 53.599 54.000 -0.018 0.000 0.930 176 D CB 0.633 41.382 40.800 -0.085 0.000 1.161 176 D HN 0.630 nan 8.370 nan 0.000 0.447 177 E N -0.033 120.159 120.200 -0.013 0.000 2.569 177 E HA 0.207 4.558 4.350 0.001 0.000 0.205 177 E C -0.059 176.524 176.600 -0.029 0.000 1.006 177 E CA -0.397 55.995 56.400 -0.014 0.000 0.985 177 E CB 0.121 29.809 29.700 -0.019 0.000 1.060 177 E HN 0.450 nan 8.360 nan 0.000 0.460 178 I N 3.318 123.871 120.570 -0.029 0.000 2.587 178 I HA 0.038 4.209 4.170 0.001 0.000 0.284 178 I C -1.997 174.112 176.117 -0.015 0.000 1.134 178 I CA -1.715 59.568 61.300 -0.029 0.000 1.410 178 I CB 0.083 38.064 38.000 -0.031 0.000 1.392 178 I HN -0.197 nan 8.210 nan 0.000 0.545 179 P HA -0.049 nan 4.420 nan 0.000 0.265 179 P C -0.899 176.453 177.300 0.087 0.000 1.187 179 P CA -0.157 62.946 63.100 0.004 0.000 0.766 179 P CB 0.277 31.940 31.700 -0.062 0.000 0.820 180 D N 1.746 122.239 120.400 0.155 0.000 2.398 180 D HA 0.012 4.652 4.640 0.001 0.000 0.247 180 D C 1.210 177.576 176.300 0.110 0.000 1.227 180 D CA -0.345 53.718 54.000 0.104 0.000 0.980 180 D CB 0.155 40.992 40.800 0.062 0.000 1.106 180 D HN 0.181 nan 8.370 nan 0.000 0.493 181 L N -0.109 121.135 121.223 0.036 0.000 2.263 181 L HA -0.197 4.144 4.340 0.001 0.000 0.216 181 L C 2.265 179.110 176.870 -0.041 0.000 1.111 181 L CA 1.581 56.435 54.840 0.024 0.000 0.773 181 L CB -0.715 41.331 42.059 -0.023 0.000 0.906 181 L HN 0.575 nan 8.230 nan 0.000 0.439 182 S N -1.734 113.868 115.700 -0.165 0.000 2.547 182 S HA -0.149 4.321 4.470 0.001 0.000 0.235 182 S C 1.420 175.895 174.600 -0.208 0.000 0.980 182 S CA 0.594 58.601 58.200 -0.322 0.000 0.941 182 S CB -0.339 62.629 63.200 -0.387 0.000 0.763 182 S HN 0.518 nan 8.310 nan 0.000 0.532 183 H N 0.517 119.661 119.070 0.124 0.000 2.674 183 H HA 0.331 4.887 4.556 0.001 0.000 0.274 183 H C -0.130 175.295 175.328 0.162 0.000 1.121 183 H CA -0.343 55.782 56.048 0.127 0.000 1.132 183 H CB -0.092 29.705 29.762 0.058 0.000 1.606 183 H HN 0.381 nan 8.280 nan 0.000 0.558 184 N N 1.714 120.615 118.700 0.334 0.000 2.521 184 N HA -0.025 4.716 4.740 0.001 0.000 0.236 184 N C 1.207 176.910 175.510 0.322 0.000 1.067 184 N CA -0.044 53.179 53.050 0.289 0.000 0.939 184 N CB 0.614 39.260 38.487 0.265 0.000 1.201 184 N HN 0.220 nan 8.380 nan 0.000 0.511 185 C N 5.398 124.829 119.300 0.219 0.000 2.429 185 C HA 0.025 4.485 4.460 0.001 0.000 0.277 185 C C -0.595 174.534 174.990 0.231 0.000 1.262 185 C CA 0.640 59.784 59.018 0.209 0.000 1.733 185 C CB -0.865 26.959 27.740 0.140 0.000 2.010 185 C HN 0.600 nan 8.230 nan 0.000 0.483 186 P HA -0.121 nan 4.420 nan 0.000 0.215 186 P C 2.014 179.429 177.300 0.192 0.000 1.157 186 P CA 1.356 64.553 63.100 0.162 0.000 0.868 186 P CB -0.308 31.454 31.700 0.104 0.000 0.788 187 L N -2.112 119.239 121.223 0.212 0.000 2.046 187 L HA -0.168 4.173 4.340 0.001 0.000 0.208 187 L C 2.310 179.294 176.870 0.190 0.000 1.077 187 L CA 1.752 56.748 54.840 0.261 0.000 0.747 187 L CB -0.736 41.545 42.059 0.370 0.000 0.896 187 L HN 0.115 nan 8.230 nan 0.000 0.432 188 W N 0.097 121.237 121.300 -0.267 0.000 2.355 188 W HA -0.257 4.404 4.660 0.001 0.000 0.309 188 W C 2.651 178.991 176.519 -0.297 0.000 1.206 188 W CA 1.767 58.559 57.345 -0.921 0.000 1.284 188 W CB -0.647 28.192 29.460 -1.035 0.000 1.145 188 W HN 0.143 nan 8.180 nan 0.000 0.502 189 C N -0.106 119.129 119.300 -0.109 0.000 2.413 189 C HA -0.214 4.246 4.460 0.001 0.000 0.276 189 C C 2.598 177.508 174.990 -0.132 0.000 1.236 189 C CA 1.255 60.163 59.018 -0.184 0.000 1.735 189 C CB -1.921 25.875 27.740 0.095 0.000 2.031 189 C HN 0.478 nan 8.230 nan 0.000 0.474 190 F N 1.611 121.510 119.950 -0.084 0.000 2.091 190 F HA -0.206 4.322 4.527 0.001 0.000 0.299 190 F C 2.670 178.470 175.800 0.000 0.000 1.103 190 F CA 2.183 60.191 58.000 0.012 0.000 1.228 190 F CB -0.466 38.577 39.000 0.071 0.000 0.984 190 F HN 0.096 nan 8.300 nan 0.000 0.477 191 R N 0.206 120.744 120.500 0.063 0.000 2.073 191 R HA -0.156 4.184 4.340 0.001 0.000 0.234 191 R C 2.267 178.444 176.300 -0.204 0.000 1.134 191 R CA 1.785 57.883 56.100 -0.002 0.000 0.952 191 R CB -0.311 30.015 30.300 0.045 0.000 0.850 191 R HN 0.271 nan 8.270 nan 0.000 0.433 192 E N 0.651 120.564 120.200 -0.478 0.000 2.051 192 E HA -0.191 4.159 4.350 0.001 0.000 0.192 192 E C 2.112 178.601 176.600 -0.186 0.000 0.991 192 E CA 0.935 57.070 56.400 -0.441 0.000 0.799 192 E CB -0.174 29.021 29.700 -0.842 0.000 0.748 192 E HN 0.362 nan 8.360 nan 0.000 0.449 193 I N 1.107 121.590 120.570 -0.146 0.000 2.091 193 I HA -0.311 3.860 4.170 0.001 0.000 0.239 193 I C 2.649 178.786 176.117 0.034 0.000 1.061 193 I CA 1.066 62.401 61.300 0.060 0.000 1.317 193 I CB -1.466 36.537 38.000 0.005 0.000 1.031 193 I HN 0.154 nan 8.210 nan 0.000 0.401 194 C N 0.314 119.535 119.300 -0.132 0.000 2.429 194 C HA -0.159 4.301 4.460 0.001 0.000 0.277 194 C C 3.051 177.950 174.990 -0.152 0.000 1.262 194 C CA 0.778 59.690 59.018 -0.176 0.000 1.733 194 C CB -1.205 26.343 27.740 -0.319 0.000 2.010 194 C HN 0.478 nan 8.230 nan 0.000 0.483 195 R N 0.103 120.531 120.500 -0.119 0.000 2.073 195 R HA -0.195 4.145 4.340 0.001 0.000 0.234 195 R C 2.218 178.448 176.300 -0.118 0.000 1.134 195 R CA 2.095 58.135 56.100 -0.100 0.000 0.952 195 R CB -0.608 29.657 30.300 -0.059 0.000 0.850 195 R HN 0.712 nan 8.270 nan 0.000 0.433 196 H N 0.201 119.149 119.070 -0.202 0.000 2.387 196 H HA -0.049 4.507 4.556 0.001 0.000 0.299 196 H C 1.849 176.976 175.328 -0.334 0.000 1.090 196 H CA 2.179 58.039 56.048 -0.312 0.000 1.332 196 H CB -0.044 29.409 29.762 -0.516 0.000 1.386 196 H HN 0.238 nan 8.280 nan 0.000 0.516 197 I N -0.299 120.132 120.570 -0.233 0.000 2.406 197 I HA -0.188 3.982 4.170 0.001 0.000 0.249 197 I C 2.405 178.407 176.117 -0.191 0.000 1.122 197 I CA 1.168 62.355 61.300 -0.187 0.000 1.431 197 I CB -0.264 37.732 38.000 -0.007 0.000 1.087 197 I HN 0.382 nan 8.210 nan 0.000 0.424 198 S N 0.387 115.977 115.700 -0.183 0.000 2.414 198 S HA 0.091 4.561 4.470 0.001 0.000 0.227 198 S C 1.755 176.250 174.600 -0.175 0.000 1.022 198 S CA 0.435 58.531 58.200 -0.173 0.000 0.958 198 S CB -0.625 62.468 63.200 -0.179 0.000 0.797 198 S HN 0.568 nan 8.310 nan 0.000 0.493 199 G N 3.294 111.973 108.800 -0.202 0.000 2.660 199 G HA2 -0.341 3.619 3.960 0.001 0.000 0.321 199 G HA3 -0.341 3.619 3.960 0.001 0.000 0.321 199 G C -0.882 173.942 174.900 -0.125 0.000 1.246 199 G CA 0.572 45.560 45.100 -0.188 0.000 1.000 199 G HN 0.552 nan 8.290 nan 0.000 0.550 200 P HA 0.203 nan 4.420 nan 0.000 0.231 200 P C 1.065 178.319 177.300 -0.077 0.000 1.168 200 P CA 0.288 63.341 63.100 -0.079 0.000 0.779 200 P CB 0.006 31.664 31.700 -0.070 0.000 0.844 201 L N 1.123 122.288 121.223 -0.096 0.000 2.525 201 L HA 0.022 4.363 4.340 0.001 0.000 0.278 201 L C -0.938 175.884 176.870 -0.081 0.000 1.218 201 L CA -1.133 53.648 54.840 -0.097 0.000 0.878 201 L CB -0.323 41.657 42.059 -0.133 0.000 1.127 201 L HN -0.130 nan 8.230 nan 0.000 0.492 202 P HA -0.074 nan 4.420 nan 0.000 0.219 202 P C -0.247 177.036 177.300 -0.029 0.000 1.150 202 P CA 0.931 64.009 63.100 -0.036 0.000 0.814 202 P CB 0.178 31.865 31.700 -0.023 0.000 0.787 203 D N 0.122 120.496 120.400 -0.043 0.000 2.383 203 D HA 0.045 4.685 4.640 0.001 0.000 0.252 203 D C 1.204 177.454 176.300 -0.083 0.000 1.166 203 D CA 0.101 54.097 54.000 -0.006 0.000 0.879 203 D CB 0.958 41.758 40.800 -0.001 0.000 1.164 203 D HN 0.010 nan 8.370 nan 0.000 0.462 204 R N 1.291 121.716 120.500 -0.125 0.000 2.189 204 R HA 0.118 4.459 4.340 0.001 0.000 0.203 204 R C 0.508 176.375 176.300 -0.721 0.000 1.012 204 R CA -0.022 55.828 56.100 -0.417 0.000 1.015 204 R CB -0.091 29.943 30.300 -0.442 0.000 0.938 204 R HN 0.351 nan 8.270 nan 0.000 0.472 205 A N 2.929 125.532 122.820 -0.363 0.000 2.451 205 A HA 0.298 4.618 4.320 0.001 0.000 0.266 205 A C -1.656 175.980 177.584 0.086 0.000 1.119 205 A CA -1.040 50.909 52.037 -0.147 0.000 0.786 205 A CB 0.474 19.541 19.000 0.112 0.000 1.061 205 A HN -0.063 nan 8.150 nan 0.000 0.503 206 P HA 0.010 nan 4.420 nan 0.000 0.223 206 P C -0.433 177.142 177.300 0.459 0.000 1.151 206 P CA 1.396 64.635 63.100 0.232 0.000 0.787 206 P CB -0.097 31.735 31.700 0.219 0.000 0.788 207 Y N -4.074 116.346 120.300 0.200 0.000 2.641 207 Y HA 0.554 5.104 4.550 0.001 0.000 0.333 207 Y C -1.910 173.998 175.900 0.014 0.000 1.174 207 Y CA -1.688 56.472 58.100 0.099 0.000 1.057 207 Y CB 0.664 39.017 38.460 -0.180 0.000 1.322 207 Y HN -0.411 nan 8.280 nan 0.000 0.457 208 L N 3.731 124.885 121.223 -0.115 0.000 2.305 208 L HA 0.381 4.721 4.340 0.001 0.000 0.284 208 L C -1.112 175.707 176.870 -0.085 0.000 1.013 208 L CA -1.021 53.685 54.840 -0.224 0.000 0.819 208 L CB 1.620 43.506 42.059 -0.289 0.000 1.227 208 L HN 0.783 nan 8.230 nan 0.000 0.417 209 Y N 4.793 124.991 120.300 -0.171 0.000 2.436 209 Y HA 0.521 5.071 4.550 0.001 0.000 0.343 209 Y C -0.758 175.124 175.900 -0.029 0.000 1.008 209 Y CA -0.263 57.816 58.100 -0.035 0.000 1.241 209 Y CB 0.502 38.973 38.460 0.018 0.000 1.153 209 Y HN 0.409 nan 8.280 nan 0.000 0.521 210 L N 4.618 125.443 121.223 -0.663 0.000 2.313 210 L HA 0.376 4.717 4.340 0.001 0.000 0.268 210 L C 1.401 177.888 176.870 -0.639 0.000 1.010 210 L CA -0.484 54.072 54.840 -0.472 0.000 0.814 210 L CB 1.749 43.608 42.059 -0.333 0.000 1.304 210 L HN 0.733 nan 8.230 nan 0.000 0.441 211 S N 0.311 115.850 115.700 -0.268 0.000 2.407 211 S HA -0.241 4.229 4.470 0.001 0.000 0.235 211 S C 1.125 175.627 174.600 -0.163 0.000 1.036 211 S CA 1.372 59.489 58.200 -0.137 0.000 1.013 211 S CB -0.328 62.855 63.200 -0.028 0.000 0.820 211 S HN 0.804 nan 8.310 nan 0.000 0.476 212 A N -0.315 122.379 122.820 -0.210 0.000 2.664 212 A HA 0.715 5.035 4.320 0.001 0.000 0.222 212 A C 0.810 178.282 177.584 -0.187 0.000 1.320 212 A CA 0.246 52.191 52.037 -0.152 0.000 1.029 212 A CB 0.404 19.348 19.000 -0.092 0.000 1.318 212 A HN 0.807 nan 8.150 nan 0.000 0.589 213 G N -1.370 107.254 108.800 -0.293 0.000 2.911 213 G HA2 0.565 4.525 3.960 0.001 0.000 0.299 213 G HA3 0.565 4.525 3.960 0.001 0.000 0.299 213 G C -1.584 173.067 174.900 -0.414 0.000 1.283 213 G CA -0.137 44.779 45.100 -0.307 0.000 0.805 213 G HN 0.549 nan 8.290 nan 0.000 0.548 214 V N -0.578 119.071 119.914 -0.441 0.000 3.147 214 V HA 0.715 4.835 4.120 0.001 0.000 0.306 214 V C -1.670 174.128 176.094 -0.494 0.000 1.209 214 V CA -0.607 61.433 62.300 -0.434 0.000 1.023 214 V CB 2.214 33.790 31.823 -0.411 0.000 1.059 214 V HN 0.569 nan 8.190 nan 0.000 0.435 215 F N 1.086 120.967 119.950 -0.115 0.000 2.551 215 F HA 0.715 5.242 4.527 0.001 0.000 0.316 215 F C -0.807 175.077 175.800 0.140 0.000 1.089 215 F CA -1.015 57.038 58.000 0.089 0.000 0.915 215 F CB 1.796 40.843 39.000 0.080 0.000 1.186 215 F HN 0.390 nan 8.300 nan 0.000 0.456 216 W N 3.679 125.273 121.300 0.491 0.000 2.570 216 W HA 0.633 5.293 4.660 0.001 0.000 0.337 216 W C -0.660 176.087 176.519 0.380 0.000 1.067 216 W CA -1.091 56.498 57.345 0.406 0.000 1.229 216 W CB 0.674 30.268 29.460 0.223 0.000 1.355 216 W HN 0.227 nan 8.180 nan 0.000 0.555 217 L N 4.209 125.711 121.223 0.465 0.000 2.462 217 L HA 0.133 4.473 4.340 0.001 0.000 0.272 217 L C 0.601 177.480 176.870 0.016 0.000 1.166 217 L CA 0.175 54.966 54.840 -0.081 0.000 0.880 217 L CB 0.283 42.303 42.059 -0.066 0.000 1.142 217 L HN 0.373 nan 8.230 nan 0.000 0.473 218 M N 4.438 123.980 119.600 -0.096 0.000 3.760 218 M HA 0.030 4.511 4.480 0.001 0.000 0.176 218 M C 0.351 176.626 176.300 -0.041 0.000 1.614 218 M CA 0.499 55.783 55.300 -0.027 0.000 1.750 218 M CB -1.786 30.784 32.600 -0.050 0.000 1.202 218 M HN 0.706 nan 8.290 nan 0.000 0.518 219 S N 1.794 117.485 115.700 -0.014 0.000 2.472 219 S HA 0.533 5.003 4.470 0.001 0.000 0.303 219 S C -1.440 173.159 174.600 -0.001 0.000 1.099 219 S CA -1.384 56.798 58.200 -0.031 0.000 1.077 219 S CB 1.639 64.811 63.200 -0.047 0.000 1.031 219 S HN 0.287 nan 8.310 nan 0.000 0.487 220 P HA 0.032 nan 4.420 nan 0.000 0.237 220 P C 0.585 177.903 177.300 0.031 0.000 1.178 220 P CA 0.491 63.594 63.100 0.005 0.000 0.766 220 P CB 0.125 31.820 31.700 -0.008 0.000 0.876 221 R N -1.735 118.778 120.500 0.022 0.000 2.300 221 R HA 0.219 4.559 4.340 0.001 0.000 0.199 221 R C 1.005 177.411 176.300 0.177 0.000 0.920 221 R CA -0.292 55.858 56.100 0.083 0.000 1.046 221 R CB -0.232 30.031 30.300 -0.060 0.000 0.984 221 R HN 0.165 nan 8.270 nan 0.000 0.493 222 M N 0.407 120.084 119.600 0.129 0.000 2.241 222 M HA 0.128 4.608 4.480 0.001 0.000 0.335 222 M C -0.449 175.939 176.300 0.147 0.000 1.122 222 M CA 0.779 56.185 55.300 0.177 0.000 1.164 222 M CB 1.364 34.082 32.600 0.197 0.000 1.459 222 M HN -0.175 nan 8.290 nan 0.000 0.461 223 T N 1.503 116.159 114.554 0.171 0.000 2.883 223 T HA 0.351 4.701 4.350 0.001 0.000 0.296 223 T C 0.699 175.492 174.700 0.155 0.000 1.117 223 T CA -0.107 62.062 62.100 0.115 0.000 1.006 223 T CB 1.571 70.500 68.868 0.102 0.000 1.191 223 T HN 0.732 nan 8.240 nan 0.000 0.508 224 S N 0.388 116.145 115.700 0.095 0.000 2.474 224 S HA 0.005 4.476 4.470 0.001 0.000 0.235 224 S C 1.982 176.680 174.600 0.163 0.000 0.997 224 S CA 0.656 58.951 58.200 0.158 0.000 0.949 224 S CB -0.348 62.907 63.200 0.091 0.000 0.766 224 S HN 0.757 nan 8.310 nan 0.000 0.517 225 A N 1.521 124.396 122.820 0.092 0.000 2.123 225 A HA 0.275 4.596 4.320 0.001 0.000 0.214 225 A C 1.982 179.492 177.584 -0.123 0.000 1.152 225 A CA 0.360 52.388 52.037 -0.015 0.000 0.728 225 A CB -0.463 18.574 19.000 0.062 0.000 0.814 225 A HN 0.483 nan 8.150 nan 0.000 0.464 226 I N 0.510 121.076 120.570 -0.006 0.000 2.163 226 I HA -0.147 4.024 4.170 0.001 0.000 0.243 226 I C -0.460 175.601 176.117 -0.093 0.000 1.085 226 I CA 1.343 62.636 61.300 -0.013 0.000 1.347 226 I CB -2.315 35.750 38.000 0.108 0.000 1.044 226 I HN 0.145 nan 8.210 nan 0.000 0.408 227 P HA -0.089 nan 4.420 nan 0.000 0.214 227 P C -1.192 175.988 177.300 -0.199 0.000 1.163 227 P CA 1.999 64.863 63.100 -0.393 0.000 0.883 227 P CB -1.179 30.004 31.700 -0.862 0.000 0.788 228 P HA -0.160 nan 4.420 nan 0.000 0.215 228 P C 1.679 178.752 177.300 -0.379 0.000 1.157 228 P CA 0.914 63.794 63.100 -0.367 0.000 0.868 228 P CB -0.506 30.818 31.700 -0.627 0.000 0.788 229 L N -0.634 120.263 121.223 -0.543 0.000 1.990 229 L HA -0.197 4.143 4.340 0.001 0.000 0.213 229 L C 2.206 179.109 176.870 0.055 0.000 1.072 229 L CA 1.949 56.689 54.840 -0.166 0.000 0.755 229 L CB -1.453 40.568 42.059 -0.064 0.000 0.889 229 L HN -0.122 nan 8.230 nan 0.000 0.432 230 L N -0.566 120.715 121.223 0.097 0.000 2.079 230 L HA -0.213 4.127 4.340 0.001 0.000 0.210 230 L C 2.741 179.775 176.870 0.274 0.000 1.081 230 L CA 1.540 56.558 54.840 0.298 0.000 0.752 230 L CB -0.928 41.367 42.059 0.393 0.000 0.896 230 L HN 0.596 nan 8.230 nan 0.000 0.433 231 S N -1.110 114.684 115.700 0.156 0.000 2.383 231 S HA -0.196 4.275 4.470 0.001 0.000 0.227 231 S C 1.632 176.258 174.600 0.043 0.000 1.026 231 S CA 1.271 59.524 58.200 0.087 0.000 0.981 231 S CB -0.286 62.947 63.200 0.054 0.000 0.818 231 S HN 0.362 nan 8.310 nan 0.000 0.472 232 D N 1.683 122.125 120.400 0.071 0.000 2.117 232 D HA 0.057 4.697 4.640 0.001 0.000 0.198 232 D C 2.034 178.372 176.300 0.063 0.000 0.982 232 D CA 0.954 54.995 54.000 0.069 0.000 0.828 232 D CB -0.346 40.540 40.800 0.144 0.000 0.967 232 D HN 0.394 nan 8.370 nan 0.000 0.464 233 L N 0.337 121.628 121.223 0.114 0.000 2.042 233 L HA -0.156 4.184 4.340 0.001 0.000 0.210 233 L C 2.564 179.460 176.870 0.042 0.000 1.076 233 L CA 0.662 55.574 54.840 0.121 0.000 0.749 233 L CB -0.451 41.745 42.059 0.229 0.000 0.893 233 L HN -0.052 nan 8.230 nan 0.000 0.432 234 V N 0.068 119.975 119.914 -0.011 0.000 2.295 234 V HA -0.262 3.859 4.120 0.001 0.000 0.246 234 V C 2.276 178.315 176.094 -0.092 0.000 1.049 234 V CA 1.780 64.007 62.300 -0.122 0.000 1.024 234 V CB -0.662 31.055 31.823 -0.175 0.000 0.648 234 V HN 0.483 nan 8.190 nan 0.000 0.447 235 N N 0.283 118.932 118.700 -0.084 0.000 2.069 235 N HA -0.127 4.613 4.740 0.001 0.000 0.191 235 N C 1.810 177.274 175.510 -0.077 0.000 1.031 235 N CA 1.460 54.455 53.050 -0.091 0.000 0.852 235 N CB -0.447 37.986 38.487 -0.091 0.000 1.018 235 N HN 0.391 nan 8.380 nan 0.000 0.423 236 L N 0.680 121.872 121.223 -0.052 0.000 2.046 236 L HA -0.111 4.229 4.340 0.001 0.000 0.208 236 L C 2.470 179.317 176.870 -0.038 0.000 1.077 236 L CA 1.073 55.884 54.840 -0.048 0.000 0.747 236 L CB -0.560 41.489 42.059 -0.016 0.000 0.896 236 L HN 0.111 nan 8.230 nan 0.000 0.432 237 A N 0.563 123.370 122.820 -0.021 0.000 1.883 237 A HA -0.215 4.105 4.320 0.001 0.000 0.217 237 A C 2.197 179.753 177.584 -0.046 0.000 1.186 237 A CA 1.793 53.826 52.037 -0.006 0.000 0.624 237 A CB -0.701 18.295 19.000 -0.007 0.000 0.822 237 A HN 0.360 nan 8.150 nan 0.000 0.444 238 I N -0.310 120.203 120.570 -0.094 0.000 2.202 238 I HA -0.236 3.935 4.170 0.001 0.000 0.242 238 I C 2.324 178.358 176.117 -0.139 0.000 1.091 238 I CA 1.052 62.245 61.300 -0.179 0.000 1.368 238 I CB -0.342 37.518 38.000 -0.234 0.000 1.058 238 I HN 0.282 nan 8.210 nan 0.000 0.410 239 L N 0.133 121.288 121.223 -0.113 0.000 2.083 239 L HA -0.236 4.104 4.340 0.001 0.000 0.209 239 L C 2.655 179.466 176.870 -0.099 0.000 1.083 239 L CA 1.348 56.114 54.840 -0.123 0.000 0.752 239 L CB -0.670 41.305 42.059 -0.140 0.000 0.899 239 L HN 0.379 nan 8.230 nan 0.000 0.433 240 Q N -0.306 119.450 119.800 -0.073 0.000 2.124 240 Q HA -0.216 4.124 4.340 0.001 0.000 0.202 240 Q C 2.189 178.168 176.000 -0.035 0.000 0.977 240 Q CA 1.264 57.038 55.803 -0.049 0.000 0.850 240 Q CB 0.210 28.939 28.738 -0.014 0.000 0.901 240 Q HN 0.443 nan 8.270 nan 0.000 0.429 241 Q N -0.755 119.025 119.800 -0.033 0.000 2.269 241 Q HA -0.028 4.313 4.340 0.001 0.000 0.201 241 Q C 1.871 177.865 176.000 -0.010 0.000 0.946 241 Q CA 1.685 57.478 55.803 -0.017 0.000 0.877 241 Q CB 0.388 29.119 28.738 -0.012 0.000 0.963 241 Q HN 0.573 nan 8.270 nan 0.000 0.472 242 T N -3.694 110.850 114.554 -0.017 0.000 3.022 242 T HA 0.425 4.776 4.350 0.001 0.000 0.250 242 T C 1.393 176.075 174.700 -0.030 0.000 1.060 242 T CA 0.454 62.581 62.100 0.045 0.000 1.013 242 T CB 0.369 69.350 68.868 0.189 0.000 0.982 242 T HN 0.110 nan 8.240 nan 0.000 0.508 243 A N 0.649 123.417 122.820 -0.086 0.000 2.431 243 A HA 0.705 5.025 4.320 0.001 0.000 0.239 243 A C 1.770 179.304 177.584 -0.084 0.000 1.230 243 A CA 0.247 52.217 52.037 -0.111 0.000 0.928 243 A CB -0.605 18.299 19.000 -0.159 0.000 1.006 243 A HN 1.159 nan 8.150 nan 0.000 0.520 244 G N 0.375 109.135 108.800 -0.066 0.000 2.283 244 G HA2 -0.250 3.711 3.960 0.001 0.000 0.280 244 G HA3 -0.250 3.711 3.960 0.001 0.000 0.280 244 G C 0.186 175.048 174.900 -0.063 0.000 1.029 244 G CA 0.475 45.541 45.100 -0.058 0.000 0.840 244 G HN 0.527 nan 8.290 nan 0.000 0.505 245 L N 0.105 121.281 121.223 -0.078 0.000 2.543 245 L HA 0.088 4.428 4.340 0.001 0.000 0.285 245 L C 1.070 177.903 176.870 -0.063 0.000 1.236 245 L CA -0.223 54.562 54.840 -0.091 0.000 0.871 245 L CB 0.354 42.342 42.059 -0.119 0.000 1.121 245 L HN 0.226 nan 8.230 nan 0.000 0.501 246 D N 4.521 124.888 120.400 -0.055 0.000 2.451 246 D HA 0.007 4.648 4.640 0.001 0.000 0.254 246 D C -1.587 174.699 176.300 -0.022 0.000 1.204 246 D CA -1.491 52.496 54.000 -0.020 0.000 0.896 246 D CB 1.356 42.166 40.800 0.017 0.000 1.136 246 D HN 0.215 nan 8.370 nan 0.000 0.499 247 P HA -0.179 nan 4.420 nan 0.000 0.217 247 P C 1.367 178.677 177.300 0.015 0.000 1.148 247 P CA 1.439 64.542 63.100 0.006 0.000 0.828 247 P CB 0.090 31.797 31.700 0.012 0.000 0.783 248 S N -1.287 114.424 115.700 0.018 0.000 2.406 248 S HA -0.075 4.395 4.470 0.001 0.000 0.228 248 S C 1.923 176.548 174.600 0.041 0.000 1.020 248 S CA 0.873 59.094 58.200 0.034 0.000 0.965 248 S CB -1.506 61.718 63.200 0.040 0.000 0.798 248 S HN 0.079 nan 8.310 nan 0.000 0.488 249 L N 1.038 122.272 121.223 0.019 0.000 2.072 249 L HA -0.011 4.329 4.340 0.001 0.000 0.205 249 L C 2.703 179.541 176.870 -0.052 0.000 1.079 249 L CA 0.778 55.611 54.840 -0.011 0.000 0.752 249 L CB -0.685 41.314 42.059 -0.100 0.000 0.906 249 L HN 0.222 nan 8.230 nan 0.000 0.436 250 V N 0.275 120.149 119.914 -0.067 0.000 2.252 250 V HA -0.363 3.757 4.120 0.001 0.000 0.249 250 V C 2.438 178.542 176.094 0.017 0.000 1.056 250 V CA 1.964 64.229 62.300 -0.059 0.000 1.022 250 V CB -0.654 31.148 31.823 -0.034 0.000 0.641 250 V HN 0.441 nan 8.190 nan 0.000 0.445 251 K N -0.339 120.089 120.400 0.047 0.000 2.218 251 K HA -0.168 4.152 4.320 0.001 0.000 0.205 251 K C 2.030 178.693 176.600 0.104 0.000 1.046 251 K CA 1.351 57.684 56.287 0.077 0.000 0.933 251 K CB -0.341 32.198 32.500 0.066 0.000 0.728 251 K HN 0.419 nan 8.250 nan 0.000 0.454 252 L N -0.262 121.039 121.223 0.129 0.000 2.027 252 L HA -0.119 4.221 4.340 0.001 0.000 0.206 252 L C 2.602 179.639 176.870 0.279 0.000 1.074 252 L CA 1.475 56.434 54.840 0.198 0.000 0.745 252 L CB -0.996 41.243 42.059 0.301 0.000 0.898 252 L HN 0.336 nan 8.230 nan 0.000 0.433 253 G N -0.280 108.713 108.800 0.323 0.000 2.442 253 G HA2 -0.200 3.761 3.960 0.001 0.000 0.219 253 G HA3 -0.200 3.761 3.960 0.001 0.000 0.219 253 G C 1.602 176.607 174.900 0.174 0.000 1.141 253 G CA 0.922 46.202 45.100 0.299 0.000 0.763 253 G HN 0.194 nan 8.290 nan 0.000 0.554 254 V N 0.252 120.246 119.914 0.133 0.000 2.358 254 V HA -0.237 3.884 4.120 0.001 0.000 0.246 254 V C 2.864 179.041 176.094 0.140 0.000 1.047 254 V CA 2.133 64.512 62.300 0.132 0.000 1.035 254 V CB -0.572 31.331 31.823 0.134 0.000 0.658 254 V HN 0.419 nan 8.190 nan 0.000 0.452 255 Q N -0.452 119.430 119.800 0.137 0.000 2.045 255 Q HA -0.223 4.117 4.340 0.001 0.000 0.206 255 Q C 2.302 178.388 176.000 0.144 0.000 0.991 255 Q CA 2.155 58.048 55.803 0.150 0.000 0.851 255 Q CB -0.300 28.490 28.738 0.087 0.000 0.911 255 Q HN 0.578 nan 8.270 nan 0.000 0.418 256 I N 0.056 120.661 120.570 0.058 0.000 2.194 256 I HA -0.376 3.794 4.170 0.001 0.000 0.246 256 I C 2.409 178.554 176.117 0.046 0.000 1.093 256 I CA 0.881 62.197 61.300 0.026 0.000 1.355 256 I CB -0.338 37.662 38.000 0.001 0.000 1.046 256 I HN 0.375 nan 8.210 nan 0.000 0.413 257 C N 0.443 119.783 119.300 0.068 0.000 2.453 257 C HA -0.112 4.348 4.460 0.001 0.000 0.277 257 C C 2.718 177.752 174.990 0.073 0.000 1.262 257 C CA 0.372 59.426 59.018 0.062 0.000 1.718 257 C CB -0.974 26.881 27.740 0.191 0.000 2.031 257 C HN 0.452 nan 8.230 nan 0.000 0.480 258 L N -0.063 121.218 121.223 0.097 0.000 2.042 258 L HA -0.215 4.125 4.340 0.001 0.000 0.210 258 L C 2.535 179.356 176.870 -0.082 0.000 1.076 258 L CA 1.734 56.596 54.840 0.037 0.000 0.749 258 L CB -0.794 41.300 42.059 0.057 0.000 0.893 258 L HN 0.441 nan 8.230 nan 0.000 0.432 259 H N -0.730 118.211 119.070 -0.216 0.000 2.421 259 H HA -0.075 4.481 4.556 0.001 0.000 0.298 259 H C 2.205 177.012 175.328 -0.868 0.000 1.087 259 H CA 1.245 57.035 56.048 -0.431 0.000 1.330 259 H CB -0.126 29.427 29.762 -0.349 0.000 1.388 259 H HN 0.340 nan 8.280 nan 0.000 0.526 260 A N 0.476 122.876 122.820 -0.701 0.000 1.930 260 A HA -0.045 4.276 4.320 0.001 0.000 0.217 260 A C 2.479 179.899 177.584 -0.273 0.000 1.175 260 A CA 1.461 53.009 52.037 -0.815 0.000 0.627 260 A CB -0.867 17.536 19.000 -0.994 0.000 0.815 260 A HN 0.456 nan 8.150 nan 0.000 0.443 261 A N -0.405 122.424 122.820 0.014 0.000 1.968 261 A HA 0.310 4.630 4.320 0.001 0.000 0.217 261 A C 2.342 179.902 177.584 -0.040 0.000 1.169 261 A CA 1.566 53.700 52.037 0.163 0.000 0.638 261 A CB -0.691 18.384 19.000 0.124 0.000 0.812 261 A HN 0.965 nan 8.150 nan 0.000 0.446 262 A N 0.250 122.970 122.820 -0.166 0.000 2.066 262 A HA 0.202 4.523 4.320 0.001 0.000 0.218 262 A C 1.814 179.318 177.584 -0.133 0.000 1.157 262 A CA 1.121 53.047 52.037 -0.185 0.000 0.670 262 A CB -0.706 18.126 19.000 -0.279 0.000 0.804 262 A HN 0.747 nan 8.150 nan 0.000 0.453 263 S N -0.254 115.353 115.700 -0.155 0.000 2.625 263 S HA 0.242 4.712 4.470 0.001 0.000 0.262 263 S C 1.162 175.800 174.600 0.064 0.000 1.223 263 S CA 0.320 58.512 58.200 -0.014 0.000 0.993 263 S CB 0.523 63.750 63.200 0.044 0.000 1.051 263 S HN 0.731 nan 8.310 nan 0.000 0.562 264 S N -1.057 114.722 115.700 0.133 0.000 2.548 264 S HA 0.295 4.766 4.470 0.001 0.000 0.215 264 S C 0.461 175.094 174.600 0.056 0.000 0.976 264 S CA 0.133 58.375 58.200 0.069 0.000 0.908 264 S CB -0.305 62.952 63.200 0.094 0.000 0.781 264 S HN 0.884 nan 8.310 nan 0.000 0.519 265 S N -0.189 115.637 115.700 0.209 0.000 2.392 265 S HA 0.302 4.772 4.470 0.001 0.000 0.246 265 S C -0.182 174.652 174.600 0.389 0.000 0.999 265 S CA -0.774 57.593 58.200 0.279 0.000 1.059 265 S CB -0.014 63.363 63.200 0.294 0.000 1.194 265 S HN 0.323 nan 8.310 nan 0.000 0.421 266 Y N 3.846 124.248 120.300 0.171 0.000 2.040 266 Y HA -0.180 4.370 4.550 0.001 0.000 0.275 266 Y C 2.582 178.558 175.900 0.127 0.000 1.171 266 Y CA 2.900 61.077 58.100 0.128 0.000 1.123 266 Y CB -0.358 38.144 38.460 0.070 0.000 0.963 266 Y HN 0.689 nan 8.280 nan 0.000 0.493 267 S N -0.685 115.222 115.700 0.344 0.000 2.359 267 S HA -0.290 4.180 4.470 0.001 0.000 0.224 267 S C 1.792 176.297 174.600 -0.157 0.000 1.035 267 S CA 1.673 59.928 58.200 0.092 0.000 1.018 267 S CB -0.928 62.330 63.200 0.095 0.000 0.876 267 S HN 0.710 nan 8.310 nan 0.000 0.448 268 W N 0.985 122.187 121.300 -0.163 0.000 2.355 268 W HA -0.107 4.553 4.660 0.001 0.000 0.309 268 W C 1.849 178.278 176.519 -0.151 0.000 1.206 268 W CA 1.486 58.735 57.345 -0.159 0.000 1.284 268 W CB -0.915 28.603 29.460 0.096 0.000 1.145 268 W HN 0.372 nan 8.180 nan 0.000 0.502 269 F N 0.803 120.599 119.950 -0.256 0.000 2.126 269 F HA -0.256 4.271 4.527 0.001 0.000 0.299 269 F C 2.130 177.540 175.800 -0.651 0.000 1.096 269 F CA 2.020 59.685 58.000 -0.558 0.000 1.255 269 F CB -0.521 38.355 39.000 -0.207 0.000 0.997 269 F HN -0.206 nan 8.300 nan 0.000 0.479 270 I N -0.134 120.245 120.570 -0.318 0.000 2.226 270 I HA -0.243 3.928 4.170 0.001 0.000 0.245 270 I C 2.418 178.272 176.117 -0.438 0.000 1.100 270 I CA 1.083 62.178 61.300 -0.343 0.000 1.374 270 I CB -1.504 36.347 38.000 -0.247 0.000 1.057 270 I HN 0.252 nan 8.210 nan 0.000 0.413 271 L N 1.299 122.230 121.223 -0.488 0.000 2.042 271 L HA -0.184 4.157 4.340 0.001 0.000 0.210 271 L C 2.408 178.944 176.870 -0.557 0.000 1.076 271 L CA 1.921 56.481 54.840 -0.467 0.000 0.749 271 L CB -0.585 41.184 42.059 -0.483 0.000 0.893 271 L HN 0.093 nan 8.230 nan 0.000 0.432 272 K N -1.015 118.858 120.400 -0.877 0.000 2.228 272 K HA 0.025 4.346 4.320 0.001 0.000 0.202 272 K C 1.637 177.673 176.600 -0.940 0.000 1.051 272 K CA 1.442 57.128 56.287 -1.000 0.000 0.960 272 K CB -0.410 31.099 32.500 -1.652 0.000 0.743 272 K HN 0.609 nan 8.250 nan 0.000 0.458 273 T N -1.371 112.627 114.554 -0.927 0.000 3.085 273 T HA 0.108 4.458 4.350 0.001 0.000 0.264 273 T C 1.440 175.887 174.700 -0.422 0.000 1.019 273 T CA -0.353 61.336 62.100 -0.686 0.000 0.910 273 T CB 0.147 68.547 68.868 -0.780 0.000 1.059 273 T HN 0.224 nan 8.240 nan 0.000 0.542 274 K N 2.028 122.214 120.400 -0.357 0.000 2.362 274 K HA -0.128 4.192 4.320 0.001 0.000 0.202 274 K C 2.119 178.614 176.600 -0.175 0.000 1.045 274 K CA 1.761 57.909 56.287 -0.231 0.000 0.936 274 K CB -0.499 31.880 32.500 -0.202 0.000 0.747 274 K HN 0.461 nan 8.250 nan 0.000 0.467 275 S N 0.495 116.085 115.700 -0.184 0.000 2.528 275 S HA 0.017 4.488 4.470 0.001 0.000 0.219 275 S C 1.883 176.390 174.600 -0.154 0.000 0.985 275 S CA -0.121 58.004 58.200 -0.124 0.000 0.914 275 S CB -0.296 62.858 63.200 -0.077 0.000 0.776 275 S HN 0.187 nan 8.310 nan 0.000 0.526 276 I N 1.768 122.192 120.570 -0.243 0.000 2.094 276 I HA -0.237 3.934 4.170 0.001 0.000 0.236 276 I C 2.175 178.103 176.117 -0.316 0.000 1.016 276 I CA 1.767 62.863 61.300 -0.340 0.000 1.294 276 I CB -1.757 35.898 38.000 -0.574 0.000 1.006 276 I HN 0.279 nan 8.210 nan 0.000 0.397 277 F N 0.454 120.296 119.950 -0.180 0.000 2.134 277 F HA -0.104 4.423 4.527 0.001 0.000 0.299 277 F C -0.087 175.548 175.800 -0.275 0.000 1.097 277 F CA 1.481 59.351 58.000 -0.217 0.000 1.264 277 F CB -2.469 36.390 39.000 -0.236 0.000 1.001 277 F HN 0.184 nan 8.300 nan 0.000 0.479 278 P HA -0.177 nan 4.420 nan 0.000 0.215 278 P C 1.589 178.628 177.300 -0.435 0.000 1.157 278 P CA 1.502 64.381 63.100 -0.368 0.000 0.859 278 P CB -0.144 31.318 31.700 -0.398 0.000 0.786 279 Q N -0.177 119.499 119.800 -0.207 0.000 2.096 279 Q HA -0.159 4.181 4.340 0.001 0.000 0.204 279 Q C 1.419 177.397 176.000 -0.037 0.000 0.982 279 Q CA 1.485 57.278 55.803 -0.017 0.000 0.850 279 Q CB -0.405 28.353 28.738 0.034 0.000 0.901 279 Q HN 0.180 nan 8.270 nan 0.000 0.422 280 N N -0.375 118.283 118.700 -0.071 0.000 2.398 280 N HA -0.023 4.717 4.740 0.001 0.000 0.188 280 N C 0.803 176.305 175.510 -0.014 0.000 1.122 280 N CA 1.133 54.161 53.050 -0.036 0.000 0.866 280 N CB 0.741 39.200 38.487 -0.047 0.000 0.970 280 N HN 0.480 nan 8.380 nan 0.000 0.462 281 T N -2.398 112.110 114.554 -0.076 0.000 3.364 281 T HA 0.061 4.411 4.350 0.001 0.000 0.179 281 T C 1.642 176.247 174.700 -0.159 0.000 0.939 281 T CA -0.271 61.779 62.100 -0.083 0.000 1.094 281 T CB -0.308 68.426 68.868 -0.224 0.000 1.532 281 T HN -0.103 nan 8.240 nan 0.000 0.346 282 L N 2.267 123.335 121.223 -0.259 0.000 2.010 282 L HA -0.164 4.176 4.340 0.001 0.000 0.219 282 L C 2.197 179.003 176.870 -0.107 0.000 1.077 282 L CA 2.246 56.936 54.840 -0.249 0.000 0.773 282 L CB -1.251 40.596 42.059 -0.354 0.000 0.892 282 L HN 0.517 nan 8.230 nan 0.000 0.436 283 H N -1.283 117.744 119.070 -0.072 0.000 2.553 283 H HA 0.260 4.816 4.556 0.001 0.000 0.269 283 H C 1.200 176.485 175.328 -0.071 0.000 1.011 283 H CA 0.741 56.758 56.048 -0.053 0.000 1.150 283 H CB -0.121 29.623 29.762 -0.029 0.000 1.339 283 H HN 0.400 nan 8.280 nan 0.000 0.604 284 S N -0.085 115.613 115.700 -0.003 0.000 2.960 284 S HA 0.168 4.639 4.470 0.001 0.000 0.256 284 S C 0.431 174.971 174.600 -0.099 0.000 1.017 284 S CA -0.435 57.747 58.200 -0.029 0.000 1.144 284 S CB 0.916 64.112 63.200 -0.008 0.000 1.109 284 S HN 0.072 nan 8.310 nan 0.000 0.638 285 M N 1.763 121.223 119.600 -0.233 0.000 2.240 285 M HA 0.239 4.719 4.480 0.001 0.000 0.333 285 M C -0.091 175.958 176.300 -0.419 0.000 1.110 285 M CA 0.244 55.225 55.300 -0.531 0.000 1.173 285 M CB -0.951 31.013 32.600 -1.060 0.000 1.458 285 M HN 0.357 nan 8.290 nan 0.000 0.458 286 Y N -1.157 119.125 120.300 -0.031 0.000 3.234 286 Y HA -0.223 4.327 4.550 0.001 0.000 0.207 286 Y C 1.196 177.120 175.900 0.040 0.000 1.316 286 Y CA 0.761 58.860 58.100 -0.002 0.000 1.309 286 Y CB -2.771 35.651 38.460 -0.064 0.000 1.408 286 Y HN 0.754 nan 8.280 nan 0.000 0.544 287 E N -0.156 120.122 120.200 0.131 0.000 2.204 287 E HA -0.045 4.305 4.350 0.001 0.000 0.194 287 E C 0.069 176.733 176.600 0.106 0.000 0.989 287 E CA 1.114 57.569 56.400 0.092 0.000 0.824 287 E CB 0.200 29.929 29.700 0.049 0.000 0.756 287 E HN 0.370 nan 8.360 nan 0.000 0.477 288 S N 0.411 116.187 115.700 0.126 0.000 2.733 288 S HA 0.322 4.793 4.470 0.001 0.000 0.307 288 S C -1.259 173.421 174.600 0.133 0.000 1.127 288 S CA -0.694 57.567 58.200 0.102 0.000 1.097 288 S CB 1.379 64.616 63.200 0.062 0.000 1.003 288 S HN 0.132 nan 8.310 nan 0.000 0.477 289 L N 3.561 124.857 121.223 0.122 0.000 2.272 289 L HA 0.527 4.867 4.340 0.001 0.000 0.289 289 L C 0.711 177.603 176.870 0.037 0.000 1.032 289 L CA 0.313 55.209 54.840 0.093 0.000 0.810 289 L CB 1.022 43.168 42.059 0.145 0.000 1.205 289 L HN 0.793 nan 8.230 nan 0.000 0.422 290 E N 2.918 123.124 120.200 0.009 0.000 2.562 290 E HA 0.431 4.781 4.350 0.001 0.000 0.214 290 E C 0.163 176.737 176.600 -0.043 0.000 0.979 290 E CA 0.378 56.771 56.400 -0.012 0.000 1.002 290 E CB 0.624 30.322 29.700 -0.004 0.000 1.048 290 E HN 0.862 nan 8.360 nan 0.000 0.488 291 G N -0.859 107.902 108.800 -0.065 0.000 2.324 291 G HA2 0.432 4.393 3.960 0.001 0.000 0.293 291 G HA3 0.432 4.393 3.960 0.001 0.000 0.293 291 G C -0.163 174.632 174.900 -0.175 0.000 1.297 291 G CA -0.221 44.801 45.100 -0.130 0.000 0.853 291 G HN 0.508 nan 8.290 nan 0.000 0.535 292 G N -2.087 106.510 108.800 -0.339 0.000 2.434 292 G HA2 0.466 4.426 3.960 0.001 0.000 0.671 292 G HA3 0.466 4.426 3.960 0.001 0.000 0.671 292 G C -1.361 173.161 174.900 -0.629 0.000 1.280 292 G CA -0.118 44.774 45.100 -0.346 0.000 0.975 292 G HN 1.573 nan 8.290 nan 0.000 0.510 293 Y N -0.935 119.409 120.300 0.074 0.000 2.545 293 Y HA 0.731 5.281 4.550 0.001 0.000 0.348 293 Y C 0.952 176.910 175.900 0.096 0.000 1.002 293 Y CA -0.215 57.919 58.100 0.057 0.000 1.039 293 Y CB 2.139 40.621 38.460 0.037 0.000 1.271 293 Y HN 1.332 nan 8.280 nan 0.000 0.467 294 C N 0.321 119.718 119.300 0.162 0.000 3.090 294 C HA 0.812 5.273 4.460 0.001 0.000 0.305 294 C C -2.999 172.031 174.990 0.067 0.000 1.292 294 C CA -2.910 56.148 59.018 0.066 0.000 1.482 294 C CB 2.008 29.648 27.740 -0.167 0.000 1.897 294 C HN 0.541 nan 8.230 nan 0.000 0.469 295 P HA 0.202 nan 4.420 nan 0.000 0.268 295 P C -0.944 176.358 177.300 0.004 0.000 1.208 295 P CA 0.339 63.513 63.100 0.123 0.000 0.777 295 P CB 0.367 32.148 31.700 0.135 0.000 0.875 296 N N 2.256 120.943 118.700 -0.021 0.000 2.623 296 N HA 0.313 5.053 4.740 0.001 0.000 0.256 296 N C -1.738 173.744 175.510 -0.047 0.000 1.045 296 N CA -0.331 52.670 53.050 -0.083 0.000 0.863 296 N CB -0.292 38.120 38.487 -0.126 0.000 1.182 296 N HN 0.064 nan 8.380 nan 0.000 0.523 297 L N 1.422 122.683 121.223 0.063 0.000 2.334 297 L HA 0.550 4.890 4.340 0.001 0.000 0.272 297 L C 0.324 177.395 176.870 0.334 0.000 1.020 297 L CA -0.657 54.307 54.840 0.206 0.000 0.812 297 L CB 1.539 43.764 42.059 0.277 0.000 1.264 297 L HN 0.538 nan 8.230 nan 0.000 0.439 298 E N 1.463 121.846 120.200 0.305 0.000 2.158 298 E HA 0.186 4.536 4.350 0.001 0.000 0.271 298 E C -1.619 175.153 176.600 0.286 0.000 0.911 298 E CA -0.665 55.908 56.400 0.288 0.000 0.767 298 E CB 0.888 30.674 29.700 0.143 0.000 1.120 298 E HN 0.457 nan 8.360 nan 0.000 0.405 299 W N 7.253 128.514 121.300 -0.066 0.000 2.387 299 W HA 0.281 4.941 4.660 0.001 0.000 0.310 299 W C -1.211 175.074 176.519 -0.390 0.000 1.181 299 W CA -1.107 55.940 57.345 -0.497 0.000 1.333 299 W CB 0.133 29.128 29.460 -0.773 0.000 1.286 299 W HN 0.529 nan 8.180 nan 0.000 0.455 300 L N 5.077 126.274 121.223 -0.043 0.000 2.476 300 L HA 0.062 4.402 4.340 0.001 0.000 0.264 300 L C 0.941 177.674 176.870 -0.228 0.000 1.224 300 L CA 0.498 55.272 54.840 -0.110 0.000 0.821 300 L CB 0.279 42.283 42.059 -0.092 0.000 1.101 300 L HN 0.284 nan 8.230 nan 0.000 0.488 301 E N 1.270 121.347 120.200 -0.205 0.000 2.204 301 E HA 0.406 4.756 4.350 0.001 0.000 0.276 301 E C -2.138 174.346 176.600 -0.194 0.000 0.974 301 E CA -1.840 54.412 56.400 -0.248 0.000 0.815 301 E CB 0.585 30.167 29.700 -0.197 0.000 1.119 301 E HN 0.341 nan 8.360 nan 0.000 0.393 302 P HA 0.267 nan 4.420 nan 0.000 0.276 302 P C 0.614 177.670 177.300 -0.406 0.000 1.230 302 P CA -0.320 62.606 63.100 -0.290 0.000 0.776 302 P CB 0.834 32.387 31.700 -0.244 0.000 0.888 303 R N 1.257 121.400 120.500 -0.596 0.000 2.170 303 R HA -0.151 4.189 4.340 0.001 0.000 0.242 303 R C 1.871 177.792 176.300 -0.632 0.000 1.145 303 R CA 1.887 57.433 56.100 -0.924 0.000 0.984 303 R CB -0.418 29.040 30.300 -1.403 0.000 0.869 303 R HN 0.655 nan 8.270 nan 0.000 0.455 304 S N 0.009 115.367 115.700 -0.570 0.000 2.547 304 S HA -0.091 4.379 4.470 0.001 0.000 0.235 304 S C 1.006 175.241 174.600 -0.609 0.000 0.980 304 S CA 1.144 58.958 58.200 -0.643 0.000 0.941 304 S CB 0.109 63.066 63.200 -0.405 0.000 0.763 304 S HN 0.179 nan 8.310 nan 0.000 0.532 305 D N 0.294 120.453 120.400 -0.401 0.000 2.323 305 D HA 0.111 4.751 4.640 0.001 0.000 0.209 305 D C -0.362 175.928 176.300 -0.018 0.000 0.973 305 D CA 0.181 54.083 54.000 -0.165 0.000 0.874 305 D CB -0.406 40.322 40.800 -0.121 0.000 0.930 305 D HN 0.435 nan 8.370 nan 0.000 0.521 306 Y N -0.486 119.858 120.300 0.073 0.000 3.589 306 Y HA -0.291 4.259 4.550 0.001 0.000 0.218 306 Y C 0.454 176.296 175.900 -0.096 0.000 1.234 306 Y CA 0.362 58.486 58.100 0.040 0.000 1.576 306 Y CB -2.046 36.503 38.460 0.149 0.000 1.487 306 Y HN -0.080 nan 8.280 nan 0.000 0.616 307 K N 0.808 121.101 120.400 -0.179 0.000 2.265 307 K HA 0.651 4.971 4.320 0.001 0.000 0.267 307 K C -0.729 175.665 176.600 -0.343 0.000 0.994 307 K CA -0.447 55.777 56.287 -0.104 0.000 0.860 307 K CB 0.703 33.179 32.500 -0.040 0.000 1.099 307 K HN 0.022 nan 8.250 nan 0.000 0.448 308 F N 2.947 122.891 119.950 -0.009 0.000 2.556 308 F HA 0.536 5.063 4.527 0.001 0.000 0.327 308 F C 0.150 175.962 175.800 0.021 0.000 1.059 308 F CA -1.053 56.935 58.000 -0.019 0.000 0.953 308 F CB 1.886 40.828 39.000 -0.096 0.000 1.227 308 F HN 0.161 nan 8.300 nan 0.000 0.478 309 M N 1.881 121.623 119.600 0.238 0.000 2.327 309 M HA 0.243 4.723 4.480 0.001 0.000 0.298 309 M C -1.550 174.865 176.300 0.193 0.000 1.065 309 M CA -0.868 54.535 55.300 0.170 0.000 0.916 309 M CB 2.328 34.987 32.600 0.100 0.000 1.630 309 M HN 0.605 nan 8.290 nan 0.000 0.442 310 Y N 3.984 124.318 120.300 0.057 0.000 2.436 310 Y HA 0.245 4.795 4.550 0.001 0.000 0.336 310 Y C 0.280 176.196 175.900 0.028 0.000 1.049 310 Y CA 0.433 58.555 58.100 0.036 0.000 1.294 310 Y CB 0.656 39.119 38.460 0.005 0.000 1.179 310 Y HN 0.751 nan 8.280 nan 0.000 0.520 311 M N 5.610 124.886 119.600 -0.540 0.000 2.333 311 M HA 0.335 4.816 4.480 0.001 0.000 0.257 311 M C 0.711 176.617 176.300 -0.656 0.000 1.078 311 M CA 0.551 55.574 55.300 -0.462 0.000 1.005 311 M CB 0.431 32.913 32.600 -0.197 0.000 1.444 311 M HN 0.947 nan 8.290 nan 0.000 0.496 312 G N 0.783 108.791 108.800 -1.320 0.000 2.298 312 G HA2 0.035 3.995 3.960 0.001 0.000 0.309 312 G HA3 0.035 3.995 3.960 0.001 0.000 0.309 312 G C -1.241 173.470 174.900 -0.315 0.000 1.279 312 G CA -0.527 44.147 45.100 -0.710 0.000 1.042 312 G HN 0.272 nan 8.290 nan 0.000 0.480 313 V N -2.744 117.129 119.914 -0.068 0.000 2.850 313 V HA 0.919 5.039 4.120 0.001 0.000 0.315 313 V C 0.107 176.239 176.094 0.063 0.000 1.064 313 V CA -0.515 61.818 62.300 0.054 0.000 0.979 313 V CB 1.839 33.703 31.823 0.068 0.000 1.039 313 V HN 1.620 nan 8.190 nan 0.000 0.452 314 M N 4.851 124.506 119.600 0.093 0.000 2.043 314 M HA 0.657 5.137 4.480 0.001 0.000 0.322 314 M C -2.832 173.532 176.300 0.108 0.000 0.962 314 M CA -2.012 53.315 55.300 0.046 0.000 0.927 314 M CB 1.409 33.950 32.600 -0.099 0.000 1.466 314 M HN 0.486 nan 8.290 nan 0.000 0.412 315 P HA 0.123 nan 4.420 nan 0.000 0.267 315 P C -1.132 176.159 177.300 -0.015 0.000 1.209 315 P CA 0.203 63.324 63.100 0.034 0.000 0.763 315 P CB 0.301 32.061 31.700 0.100 0.000 0.816 316 L N 2.676 123.815 121.223 -0.141 0.000 2.379 316 L HA 0.650 4.991 4.340 0.001 0.000 0.269 316 L C 0.866 177.722 176.870 -0.023 0.000 1.084 316 L CA -0.053 54.785 54.840 -0.002 0.000 0.802 316 L CB 1.169 43.195 42.059 -0.055 0.000 1.175 316 L HN 0.499 nan 8.230 nan 0.000 0.448 317 S N -0.054 115.658 115.700 0.020 0.000 2.672 317 S HA 0.507 4.977 4.470 0.001 0.000 0.271 317 S C 0.375 174.941 174.600 -0.057 0.000 1.171 317 S CA -0.211 57.956 58.200 -0.054 0.000 0.817 317 S CB 1.174 64.315 63.200 -0.098 0.000 1.150 317 S HN 0.640 nan 8.310 nan 0.000 0.478 318 A N 1.019 123.804 122.820 -0.059 0.000 2.042 318 A HA -0.150 4.170 4.320 0.001 0.000 0.222 318 A C 1.981 179.514 177.584 -0.084 0.000 1.167 318 A CA 2.212 54.226 52.037 -0.038 0.000 0.649 318 A CB -1.108 17.870 19.000 -0.036 0.000 0.809 318 A HN 0.866 nan 8.150 nan 0.000 0.457 319 K N -1.595 118.676 120.400 -0.215 0.000 2.127 319 K HA -0.210 4.110 4.320 0.001 0.000 0.208 319 K C 0.679 177.051 176.600 -0.380 0.000 1.047 319 K CA 1.884 57.944 56.287 -0.379 0.000 0.927 319 K CB -0.255 31.854 32.500 -0.651 0.000 0.716 319 K HN 0.595 nan 8.250 nan 0.000 0.450 320 Y N -0.100 120.177 120.300 -0.038 0.000 2.524 320 Y HA 0.367 4.917 4.550 0.001 0.000 0.266 320 Y C 0.534 176.485 175.900 0.085 0.000 1.180 320 Y CA -0.497 57.572 58.100 -0.052 0.000 1.244 320 Y CB -0.172 38.156 38.460 -0.219 0.000 1.125 320 Y HN 0.023 nan 8.280 nan 0.000 0.524 321 A N 1.088 124.035 122.820 0.211 0.000 2.492 321 A HA 0.079 4.400 4.320 0.001 0.000 0.236 321 A C 0.784 178.523 177.584 0.258 0.000 1.078 321 A CA -0.504 51.683 52.037 0.250 0.000 0.773 321 A CB 0.034 19.122 19.000 0.146 0.000 1.023 321 A HN 0.491 nan 8.150 nan 0.000 0.504 322 R N 0.510 121.173 120.500 0.271 0.000 2.494 322 R HA 0.020 4.360 4.340 0.001 0.000 0.291 322 R C 0.945 177.309 176.300 0.107 0.000 0.953 322 R CA 0.981 57.195 56.100 0.190 0.000 1.098 322 R CB 0.165 30.536 30.300 0.119 0.000 0.911 322 R HN 0.917 nan 8.270 nan 0.000 0.407 323 S N 2.449 118.195 115.700 0.078 0.000 2.632 323 S HA 0.222 4.692 4.470 0.001 0.000 0.237 323 S C 0.498 175.065 174.600 -0.054 0.000 1.037 323 S CA -0.083 58.145 58.200 0.047 0.000 1.009 323 S CB 0.669 63.932 63.200 0.105 0.000 0.974 323 S HN 0.673 nan 8.310 nan 0.000 0.544 324 A N 2.742 125.427 122.820 -0.225 0.000 2.386 324 A HA 0.615 4.935 4.320 0.001 0.000 0.246 324 A C -2.458 174.933 177.584 -0.322 0.000 1.089 324 A CA -1.198 50.456 52.037 -0.639 0.000 0.790 324 A CB -0.846 17.615 19.000 -0.898 0.000 1.042 324 A HN 0.336 nan 8.150 nan 0.000 0.497 325 P HA 0.048 nan 4.420 nan 0.000 0.265 325 P C 0.046 177.290 177.300 -0.094 0.000 1.187 325 P CA 0.333 63.363 63.100 -0.115 0.000 0.766 325 P CB 0.496 32.160 31.700 -0.061 0.000 0.820 326 S N 2.308 117.980 115.700 -0.047 0.000 2.585 326 S HA 0.109 4.580 4.470 0.001 0.000 0.273 326 S C 1.026 175.611 174.600 -0.025 0.000 1.339 326 S CA -0.308 57.874 58.200 -0.031 0.000 1.028 326 S CB -0.033 63.158 63.200 -0.014 0.000 0.906 326 S HN 0.592 nan 8.310 nan 0.000 0.528 327 N N 2.026 120.716 118.700 -0.017 0.000 2.160 327 N HA 0.030 4.771 4.740 0.001 0.000 0.226 327 N C 0.534 176.040 175.510 -0.007 0.000 1.256 327 N CA 0.108 53.151 53.050 -0.010 0.000 0.890 327 N CB -0.399 38.085 38.487 -0.005 0.000 1.116 327 N HN 0.678 nan 8.380 nan 0.000 0.517 328 D N 1.937 122.333 120.400 -0.007 0.000 2.133 328 D HA -0.248 4.393 4.640 0.001 0.000 0.192 328 D C 1.798 178.092 176.300 -0.010 0.000 1.001 328 D CA 1.734 55.730 54.000 -0.008 0.000 0.844 328 D CB 0.249 41.046 40.800 -0.006 0.000 0.944 328 D HN 0.332 nan 8.370 nan 0.000 0.447 329 K N 0.129 120.524 120.400 -0.008 0.000 1.985 329 K HA -0.196 4.124 4.320 0.001 0.000 0.210 329 K C 2.144 178.736 176.600 -0.012 0.000 1.047 329 K CA 1.363 57.644 56.287 -0.009 0.000 0.932 329 K CB -0.004 32.492 32.500 -0.006 0.000 0.716 329 K HN 0.043 nan 8.250 nan 0.000 0.439 330 K N 0.155 120.549 120.400 -0.010 0.000 2.044 330 K HA -0.182 4.138 4.320 0.001 0.000 0.210 330 K C 2.248 178.838 176.600 -0.017 0.000 1.049 330 K CA 1.448 57.728 56.287 -0.011 0.000 0.927 330 K CB -0.297 32.199 32.500 -0.006 0.000 0.713 330 K HN 0.255 nan 8.250 nan 0.000 0.443 331 A N 1.847 124.657 122.820 -0.017 0.000 1.873 331 A HA -0.225 4.096 4.320 0.001 0.000 0.218 331 A C 2.132 179.695 177.584 -0.035 0.000 1.193 331 A CA 1.700 53.721 52.037 -0.026 0.000 0.629 331 A CB -0.528 18.458 19.000 -0.023 0.000 0.826 331 A HN 0.264 nan 8.150 nan 0.000 0.447 332 R N -0.510 119.973 120.500 -0.029 0.000 2.115 332 R HA -0.094 4.247 4.340 0.001 0.000 0.230 332 R C 2.111 178.390 176.300 -0.035 0.000 1.111 332 R CA 1.387 57.468 56.100 -0.032 0.000 0.976 332 R CB -0.269 30.017 30.300 -0.024 0.000 0.870 332 R HN 0.701 nan 8.270 nan 0.000 0.445 333 E N 0.671 120.851 120.200 -0.033 0.000 2.072 333 E HA -0.199 4.151 4.350 0.001 0.000 0.191 333 E C 1.958 178.523 176.600 -0.058 0.000 0.985 333 E CA 0.875 57.249 56.400 -0.043 0.000 0.801 333 E CB -0.105 29.574 29.700 -0.035 0.000 0.750 333 E HN 0.122 nan 8.360 nan 0.000 0.452 334 L N 0.928 122.129 121.223 -0.038 0.000 2.012 334 L HA -0.127 4.214 4.340 0.001 0.000 0.210 334 L C 2.214 179.084 176.870 0.000 0.000 1.073 334 L CA 2.310 57.145 54.840 -0.009 0.000 0.748 334 L CB -0.838 41.221 42.059 -0.000 0.000 0.891 334 L HN 0.108 nan 8.230 nan 0.000 0.431 335 G N -1.242 107.539 108.800 -0.031 0.000 2.459 335 G HA2 -0.252 3.709 3.960 0.001 0.000 0.217 335 G HA3 -0.252 3.709 3.960 0.001 0.000 0.217 335 G C 1.415 176.298 174.900 -0.029 0.000 1.183 335 G CA 0.704 45.783 45.100 -0.035 0.000 0.776 335 G HN 0.437 nan 8.290 nan 0.000 0.552 336 E N 0.458 120.631 120.200 -0.046 0.000 2.070 336 E HA -0.193 4.157 4.350 0.001 0.000 0.197 336 E C 2.322 178.872 176.600 -0.083 0.000 1.004 336 E CA 1.234 57.607 56.400 -0.046 0.000 0.805 336 E CB -0.287 29.385 29.700 -0.047 0.000 0.744 336 E HN 0.541 nan 8.360 nan 0.000 0.451 337 K N -0.189 120.105 120.400 -0.178 0.000 2.209 337 K HA -0.157 4.163 4.320 0.001 0.000 0.204 337 K C 0.661 176.946 176.600 -0.524 0.000 1.048 337 K CA 1.087 57.148 56.287 -0.376 0.000 0.940 337 K CB 0.026 32.192 32.500 -0.556 0.000 0.729 337 K HN 0.107 nan 8.250 nan 0.000 0.451 338 Y N -0.340 119.944 120.300 -0.027 0.000 2.720 338 Y HA 0.288 4.839 4.550 0.001 0.000 0.268 338 Y C 0.738 176.742 175.900 0.175 0.000 1.142 338 Y CA -0.228 57.882 58.100 0.016 0.000 1.193 338 Y CB 0.944 39.216 38.460 -0.313 0.000 1.176 338 Y HN 0.200 nan 8.280 nan 0.000 0.542 339 G N 1.103 110.020 108.800 0.196 0.000 2.283 339 G HA2 -0.287 3.673 3.960 0.001 0.000 0.280 339 G HA3 -0.287 3.673 3.960 0.001 0.000 0.280 339 G C 0.296 175.259 174.900 0.105 0.000 1.029 339 G CA 0.819 46.038 45.100 0.197 0.000 0.840 339 G HN 0.512 nan 8.290 nan 0.000 0.505 340 L N 0.426 121.664 121.223 0.026 0.000 3.229 340 L HA 0.165 4.505 4.340 0.001 0.000 0.286 340 L C 2.337 179.159 176.870 -0.079 0.000 1.239 340 L CA 0.586 55.370 54.840 -0.093 0.000 1.035 340 L CB 0.254 42.237 42.059 -0.127 0.000 1.408 340 L HN 0.338 nan 8.230 nan 0.000 0.593 341 S N -0.418 115.259 115.700 -0.038 0.000 2.400 341 S HA -0.219 4.251 4.470 0.001 0.000 0.232 341 S C 2.157 176.734 174.600 -0.038 0.000 1.025 341 S CA 1.562 59.740 58.200 -0.037 0.000 0.993 341 S CB -0.441 62.747 63.200 -0.019 0.000 0.808 341 S HN 0.584 nan 8.310 nan 0.000 0.478 342 S N 1.606 117.287 115.700 -0.031 0.000 2.382 342 S HA -0.031 4.439 4.470 0.001 0.000 0.228 342 S C 1.826 176.406 174.600 -0.034 0.000 1.027 342 S CA 0.987 59.174 58.200 -0.021 0.000 0.991 342 S CB -0.993 62.204 63.200 -0.006 0.000 0.823 342 S HN 0.383 nan 8.310 nan 0.000 0.469 343 V N 1.635 121.507 119.914 -0.070 0.000 2.307 343 V HA -0.099 4.022 4.120 0.001 0.000 0.245 343 V C 2.678 178.713 176.094 -0.098 0.000 1.045 343 V CA 1.502 63.746 62.300 -0.092 0.000 1.024 343 V CB -0.714 31.004 31.823 -0.175 0.000 0.651 343 V HN 0.437 nan 8.190 nan 0.000 0.449 344 V N 0.924 120.771 119.914 -0.112 0.000 2.295 344 V HA -0.201 3.920 4.120 0.001 0.000 0.246 344 V C 2.667 178.734 176.094 -0.045 0.000 1.049 344 V CA 2.284 64.526 62.300 -0.096 0.000 1.024 344 V CB -1.481 30.288 31.823 -0.089 0.000 0.648 344 V HN 0.611 nan 8.190 nan 0.000 0.447 345 G N -0.343 108.438 108.800 -0.033 0.000 2.476 345 G HA2 -0.357 3.603 3.960 0.001 0.000 0.218 345 G HA3 -0.357 3.603 3.960 0.001 0.000 0.218 345 G C 1.505 176.405 174.900 0.001 0.000 1.164 345 G CA 1.252 46.343 45.100 -0.014 0.000 0.768 345 G HN 0.541 nan 8.290 nan 0.000 0.560 346 E N 0.485 120.688 120.200 0.006 0.000 2.051 346 E HA -0.046 4.304 4.350 0.001 0.000 0.192 346 E C 2.544 179.178 176.600 0.057 0.000 0.991 346 E CA 0.811 57.228 56.400 0.028 0.000 0.799 346 E CB -0.521 29.199 29.700 0.034 0.000 0.748 346 E HN 0.443 nan 8.360 nan 0.000 0.449 347 L N 0.065 121.325 121.223 0.061 0.000 2.046 347 L HA -0.161 4.179 4.340 0.001 0.000 0.208 347 L C 2.770 179.703 176.870 0.106 0.000 1.077 347 L CA 1.371 56.279 54.840 0.113 0.000 0.747 347 L CB -0.381 41.721 42.059 0.071 0.000 0.896 347 L HN 0.125 nan 8.230 nan 0.000 0.432 348 R N 0.067 120.596 120.500 0.047 0.000 2.081 348 R HA -0.198 4.143 4.340 0.001 0.000 0.235 348 R C 2.287 178.607 176.300 0.033 0.000 1.131 348 R CA 1.373 57.494 56.100 0.035 0.000 0.960 348 R CB -0.323 29.982 30.300 0.009 0.000 0.856 348 R HN 0.340 nan 8.270 nan 0.000 0.436 349 K N 1.120 121.534 120.400 0.023 0.000 2.026 349 K HA -0.159 4.162 4.320 0.001 0.000 0.208 349 K C 2.145 178.741 176.600 -0.007 0.000 1.048 349 K CA 1.390 57.679 56.287 0.004 0.000 0.929 349 K CB 0.013 32.513 32.500 -0.000 0.000 0.713 349 K HN 0.059 nan 8.250 nan 0.000 0.439 350 R N -0.148 120.367 120.500 0.025 0.000 2.081 350 R HA -0.080 4.261 4.340 0.001 0.000 0.235 350 R C 2.383 178.659 176.300 -0.041 0.000 1.131 350 R CA 1.896 57.987 56.100 -0.015 0.000 0.960 350 R CB -0.525 29.831 30.300 0.094 0.000 0.856 350 R HN 0.261 nan 8.270 nan 0.000 0.436 351 T N 1.163 115.770 114.554 0.089 0.000 2.759 351 T HA -0.147 4.203 4.350 0.001 0.000 0.269 351 T C 1.546 176.290 174.700 0.073 0.000 1.042 351 T CA 1.355 63.533 62.100 0.130 0.000 1.140 351 T CB -0.056 68.900 68.868 0.146 0.000 0.864 351 T HN 0.273 nan 8.240 nan 0.000 0.455 352 K N 0.763 121.171 120.400 0.014 0.000 2.283 352 K HA -0.065 4.256 4.320 0.001 0.000 0.202 352 K C 2.549 179.120 176.600 -0.049 0.000 1.048 352 K CA 1.425 57.709 56.287 -0.003 0.000 0.948 352 K CB -0.173 32.320 32.500 -0.011 0.000 0.742 352 K HN 0.516 nan 8.250 nan 0.000 0.458 353 T N -1.793 112.669 114.554 -0.153 0.000 2.995 353 T HA -0.119 4.232 4.350 0.001 0.000 0.269 353 T C 0.518 174.997 174.700 -0.368 0.000 1.091 353 T CA 0.426 62.351 62.100 -0.292 0.000 1.128 353 T CB -0.270 68.327 68.868 -0.452 0.000 0.891 353 T HN -0.004 nan 8.240 nan 0.000 0.492 354 Y N 1.269 121.507 120.300 -0.104 0.000 2.539 354 Y HA 0.463 5.013 4.550 0.001 0.000 0.352 354 Y C 0.909 176.859 175.900 0.082 0.000 1.004 354 Y CA -0.864 57.218 58.100 -0.031 0.000 1.278 354 Y CB 0.996 39.426 38.460 -0.049 0.000 1.136 354 Y HN -0.112 nan 8.280 nan 0.000 0.528 355 V N 2.976 122.977 119.914 0.145 0.000 3.578 355 V HA 0.142 4.262 4.120 0.001 0.000 0.290 355 V C 0.334 176.485 176.094 0.096 0.000 1.376 355 V CA 0.292 62.665 62.300 0.123 0.000 1.083 355 V CB -0.183 31.663 31.823 0.038 0.000 0.911 355 V HN 0.569 nan 8.190 nan 0.000 0.433 356 K N -0.181 120.283 120.400 0.108 0.000 2.375 356 K HA 0.499 4.819 4.320 0.001 0.000 0.249 356 K C -0.979 175.621 176.600 0.001 0.000 0.942 356 K CA -0.861 55.432 56.287 0.010 0.000 0.806 356 K CB 2.187 34.688 32.500 0.003 0.000 1.227 356 K HN 0.211 nan 8.250 nan 0.000 0.430 357 H N 2.123 121.028 119.070 -0.275 0.000 2.640 357 H HA 0.234 4.790 4.556 0.001 0.000 0.297 357 H C -1.298 173.966 175.328 -0.105 0.000 1.073 357 H CA -0.116 55.763 56.048 -0.282 0.000 1.305 357 H CB 0.332 29.814 29.762 -0.468 0.000 1.404 357 H HN 0.658 nan 8.280 nan 0.000 0.459 358 D N 2.567 122.703 120.400 -0.439 0.000 2.768 358 D HA 0.031 4.671 4.640 0.001 0.000 0.327 358 D C 0.270 176.354 176.300 -0.359 0.000 1.302 358 D CA -0.795 52.940 54.000 -0.441 0.000 0.897 358 D CB -0.066 40.610 40.800 -0.206 0.000 1.420 358 D HN 0.303 nan 8.370 nan 0.000 0.494 359 F N 0.602 120.499 119.950 -0.089 0.000 2.063 359 F HA -0.064 4.463 4.527 0.001 0.000 0.298 359 F C 2.823 178.582 175.800 -0.069 0.000 1.109 359 F CA 2.008 59.961 58.000 -0.079 0.000 1.212 359 F CB -1.311 37.636 39.000 -0.088 0.000 0.973 359 F HN 0.551 nan 8.300 nan 0.000 0.480 360 A N 0.266 123.179 122.820 0.155 0.000 1.892 360 A HA -0.278 4.042 4.320 0.001 0.000 0.218 360 A C 2.424 180.028 177.584 0.033 0.000 1.188 360 A CA 2.962 55.071 52.037 0.119 0.000 0.631 360 A CB -1.376 17.723 19.000 0.165 0.000 0.822 360 A HN 0.471 nan 8.150 nan 0.000 0.447 361 S N -0.020 115.657 115.700 -0.037 0.000 2.368 361 S HA -0.137 4.334 4.470 0.001 0.000 0.224 361 S C 1.861 176.345 174.600 -0.193 0.000 1.029 361 S CA 1.654 59.690 58.200 -0.274 0.000 0.988 361 S CB -1.399 61.772 63.200 -0.047 0.000 0.838 361 S HN 1.088 nan 8.310 nan 0.000 0.462 362 V N 0.708 120.557 119.914 -0.109 0.000 2.515 362 V HA 0.032 4.152 4.120 0.001 0.000 0.250 362 V C 2.665 178.711 176.094 -0.081 0.000 1.058 362 V CA 1.721 63.977 62.300 -0.074 0.000 1.064 362 V CB -1.209 30.603 31.823 -0.019 0.000 0.675 362 V HN 0.496 nan 8.190 nan 0.000 0.461 363 R N -0.653 119.821 120.500 -0.044 0.000 2.115 363 R HA -0.182 4.159 4.340 0.001 0.000 0.230 363 R C 2.318 178.562 176.300 -0.095 0.000 1.111 363 R CA 1.797 57.868 56.100 -0.049 0.000 0.976 363 R CB -0.561 29.738 30.300 -0.002 0.000 0.870 363 R HN 0.685 nan 8.270 nan 0.000 0.445 364 Y N 1.116 121.274 120.300 -0.237 0.000 2.145 364 Y HA -0.164 4.386 4.550 0.001 0.000 0.286 364 Y C 1.770 177.509 175.900 -0.268 0.000 1.145 364 Y CA 1.681 59.612 58.100 -0.283 0.000 1.148 364 Y CB -0.275 37.829 38.460 -0.594 0.000 0.981 364 Y HN -0.001 nan 8.280 nan 0.000 0.507 365 I N 0.399 120.673 120.570 -0.493 0.000 2.179 365 I HA -0.320 3.850 4.170 0.001 0.000 0.242 365 I C 2.798 178.651 176.117 -0.440 0.000 1.088 365 I CA 1.621 62.612 61.300 -0.515 0.000 1.357 365 I CB -0.583 37.236 38.000 -0.302 0.000 1.051 365 I HN 0.186 nan 8.210 nan 0.000 0.409 366 R N 1.444 121.755 120.500 -0.315 0.000 2.083 366 R HA -0.226 4.115 4.340 0.001 0.000 0.237 366 R C 1.689 177.797 176.300 -0.319 0.000 1.137 366 R CA 2.411 58.344 56.100 -0.278 0.000 0.951 366 R CB -0.718 29.471 30.300 -0.185 0.000 0.851 366 R HN 0.297 nan 8.270 nan 0.000 0.434 367 D N 0.313 120.526 120.400 -0.311 0.000 2.123 367 D HA -0.122 4.518 4.640 0.001 0.000 0.196 367 D C 1.786 177.825 176.300 -0.434 0.000 0.992 367 D CA 1.901 55.714 54.000 -0.311 0.000 0.833 367 D CB -0.269 40.392 40.800 -0.232 0.000 0.954 367 D HN 0.415 nan 8.370 nan 0.000 0.455 368 A N 0.153 122.645 122.820 -0.548 0.000 1.902 368 A HA -0.117 4.204 4.320 0.001 0.000 0.217 368 A C 2.115 179.269 177.584 -0.717 0.000 1.181 368 A CA 1.143 52.788 52.037 -0.654 0.000 0.623 368 A CB -0.515 18.123 19.000 -0.602 0.000 0.818 368 A HN 0.175 nan 8.150 nan 0.000 0.443 369 M N -0.551 118.743 119.600 -0.510 0.000 2.630 369 M HA 0.009 4.489 4.480 0.001 0.000 0.254 369 M C 1.936 177.987 176.300 -0.415 0.000 1.092 369 M CA 0.745 55.784 55.300 -0.435 0.000 1.087 369 M CB -0.043 32.297 32.600 -0.434 0.000 1.453 369 M HN 0.484 nan 8.290 nan 0.000 0.509 370 A N -1.282 121.280 122.820 -0.429 0.000 2.178 370 A HA -0.023 4.297 4.320 0.001 0.000 0.211 370 A C 1.870 179.240 177.584 -0.356 0.000 1.157 370 A CA 0.434 52.267 52.037 -0.340 0.000 0.780 370 A CB -0.570 18.256 19.000 -0.288 0.000 0.828 370 A HN 0.576 nan 8.150 nan 0.000 0.476 371 C N 0.135 119.102 119.300 -0.556 0.000 2.562 371 C HA 0.115 4.576 4.460 0.001 0.000 0.266 371 C C 1.114 175.946 174.990 -0.262 0.000 1.382 371 C CA -0.034 58.658 59.018 -0.544 0.000 1.742 371 C CB -1.452 25.686 27.740 -1.005 0.000 1.812 371 C HN 0.486 nan 8.230 nan 0.000 0.559 372 T N 1.686 116.135 114.554 -0.175 0.000 2.930 372 T HA 0.121 4.472 4.350 0.001 0.000 0.306 372 T C 0.405 175.083 174.700 -0.037 0.000 1.045 372 T CA 0.362 62.481 62.100 0.032 0.000 1.134 372 T CB 0.721 69.578 68.868 -0.019 0.000 0.961 372 T HN 0.447 nan 8.240 nan 0.000 0.545 373 S N 1.247 116.941 115.700 -0.009 0.000 2.552 373 S HA 0.233 4.704 4.470 0.001 0.000 0.289 373 S C 1.241 175.796 174.600 -0.076 0.000 1.304 373 S CA -0.236 57.957 58.200 -0.011 0.000 1.063 373 S CB 0.026 63.234 63.200 0.014 0.000 0.848 373 S HN 0.923 nan 8.310 nan 0.000 0.499 374 G N 4.215 112.964 108.800 -0.086 0.000 3.690 374 G HA2 0.306 4.266 3.960 0.001 0.000 0.283 374 G HA3 0.306 4.266 3.960 0.001 0.000 0.283 374 G C 0.366 175.130 174.900 -0.227 0.000 1.057 374 G CA -0.435 44.556 45.100 -0.183 0.000 0.821 374 G HN 0.901 nan 8.290 nan 0.000 0.526 375 I N -2.817 117.689 120.570 -0.106 0.000 2.720 375 I HA 0.568 4.739 4.170 0.001 0.000 0.287 375 I C -0.630 175.415 176.117 -0.119 0.000 1.090 375 I CA -0.714 60.556 61.300 -0.049 0.000 1.384 375 I CB 0.751 38.807 38.000 0.093 0.000 1.420 375 I HN -0.150 nan 8.210 nan 0.000 0.575 376 F N 5.245 125.206 119.950 0.018 0.000 2.375 376 F HA 0.376 4.904 4.527 0.001 0.000 0.362 376 F C -0.061 175.763 175.800 0.040 0.000 1.129 376 F CA -0.432 57.580 58.000 0.020 0.000 1.154 376 F CB 0.775 39.788 39.000 0.021 0.000 1.205 376 F HN 0.302 nan 8.300 nan 0.000 0.513 377 L N 4.320 125.652 121.223 0.181 0.000 2.525 377 L HA 0.108 4.449 4.340 0.001 0.000 0.278 377 L C 0.034 177.057 176.870 0.255 0.000 1.218 377 L CA 0.411 55.347 54.840 0.161 0.000 0.878 377 L CB -0.052 42.038 42.059 0.051 0.000 1.127 377 L HN 0.268 nan 8.230 nan 0.000 0.492 378 V N 4.436 124.518 119.914 0.280 0.000 2.656 378 V HA 0.799 4.919 4.120 0.001 0.000 0.307 378 V C -0.144 176.090 176.094 0.234 0.000 1.051 378 V CA -0.709 61.709 62.300 0.197 0.000 0.893 378 V CB 2.051 33.909 31.823 0.058 0.000 0.999 378 V HN 0.947 nan 8.190 nan 0.000 0.426 379 R N 1.129 121.666 120.500 0.061 0.000 2.734 379 R HA 0.647 4.987 4.340 0.001 0.000 0.271 379 R C -0.588 175.679 176.300 -0.055 0.000 1.021 379 R CA -0.723 55.344 56.100 -0.055 0.000 0.893 379 R CB 1.497 31.597 30.300 -0.334 0.000 1.244 379 R HN 0.619 nan 8.270 nan 0.000 0.464 380 T N -1.371 113.177 114.554 -0.011 0.000 2.900 380 T HA 0.190 4.541 4.350 0.001 0.000 0.307 380 T C -1.832 172.934 174.700 0.110 0.000 1.065 380 T CA -1.249 60.904 62.100 0.087 0.000 1.105 380 T CB 1.008 69.968 68.868 0.154 0.000 0.979 380 T HN 0.369 nan 8.240 nan 0.000 0.544 381 P HA -0.071 nan 4.420 nan 0.000 0.216 381 P C 1.718 179.096 177.300 0.131 0.000 1.150 381 P CA 1.118 64.295 63.100 0.129 0.000 0.837 381 P CB -0.224 31.547 31.700 0.117 0.000 0.786 382 T N -0.155 114.510 114.554 0.184 0.000 2.665 382 T HA -0.192 4.158 4.350 0.001 0.000 0.268 382 T C 1.570 176.366 174.700 0.159 0.000 1.035 382 T CA 1.376 63.633 62.100 0.262 0.000 1.151 382 T CB -0.713 68.299 68.868 0.241 0.000 0.862 382 T HN 0.208 nan 8.240 nan 0.000 0.438 383 E N 0.759 121.010 120.200 0.084 0.000 2.077 383 E HA -0.075 4.275 4.350 0.001 0.000 0.193 383 E C 2.555 179.167 176.600 0.021 0.000 0.989 383 E CA 1.197 57.609 56.400 0.019 0.000 0.800 383 E CB -0.795 28.870 29.700 -0.058 0.000 0.746 383 E HN 0.447 nan 8.360 nan 0.000 0.452 384 T N 1.463 116.037 114.554 0.032 0.000 2.746 384 T HA -0.096 4.254 4.350 0.001 0.000 0.267 384 T C 2.180 176.955 174.700 0.125 0.000 1.039 384 T CA 1.282 63.414 62.100 0.053 0.000 1.142 384 T CB -0.241 68.667 68.868 0.066 0.000 0.866 384 T HN -0.040 nan 8.240 nan 0.000 0.444 385 V N 1.722 121.728 119.914 0.153 0.000 2.287 385 V HA -0.123 3.997 4.120 0.001 0.000 0.248 385 V C 2.445 178.631 176.094 0.153 0.000 1.053 385 V CA 1.528 63.949 62.300 0.201 0.000 1.027 385 V CB -0.686 31.180 31.823 0.073 0.000 0.646 385 V HN 0.465 nan 8.190 nan 0.000 0.447 386 L N -0.682 120.598 121.223 0.096 0.000 2.362 386 L HA -0.143 4.198 4.340 0.001 0.000 0.219 386 L C 2.471 179.397 176.870 0.094 0.000 1.134 386 L CA 1.248 56.134 54.840 0.076 0.000 0.807 386 L CB -0.413 41.686 42.059 0.067 0.000 0.927 386 L HN 0.435 nan 8.230 nan 0.000 0.447 387 Q N -0.525 119.320 119.800 0.076 0.000 2.349 387 Q HA -0.047 4.294 4.340 0.001 0.000 0.209 387 Q C 1.300 177.311 176.000 0.018 0.000 0.920 387 Q CA 0.502 56.337 55.803 0.053 0.000 0.901 387 Q CB 0.667 29.426 28.738 0.035 0.000 1.021 387 Q HN 0.391 nan 8.270 nan 0.000 0.519 388 E N -0.596 119.580 120.200 -0.040 0.000 2.474 388 E HA -0.003 4.348 4.350 0.001 0.000 0.195 388 E C -0.142 176.163 176.600 -0.492 0.000 1.039 388 E CA 0.315 56.553 56.400 -0.270 0.000 0.881 388 E CB 0.417 29.871 29.700 -0.410 0.000 0.970 388 E HN 0.369 nan 8.360 nan 0.000 0.486 389 Y N -1.185 119.179 120.300 0.108 0.000 2.768 389 Y HA 0.208 4.759 4.550 0.001 0.000 0.249 389 Y C 1.649 177.728 175.900 0.299 0.000 1.146 389 Y CA -0.089 58.142 58.100 0.219 0.000 1.171 389 Y CB 1.001 39.610 38.460 0.249 0.000 1.249 389 Y HN -0.143 nan 8.280 nan 0.000 0.567 390 T N -0.419 114.311 114.554 0.293 0.000 3.023 390 T HA 0.164 4.515 4.350 0.001 0.000 0.249 390 T C 0.577 175.396 174.700 0.198 0.000 1.050 390 T CA 0.714 62.978 62.100 0.274 0.000 1.088 390 T CB 0.243 69.234 68.868 0.205 0.000 0.946 390 T HN 0.218 nan 8.240 nan 0.000 0.480 391 Q N 0.926 120.820 119.800 0.155 0.000 2.306 391 Q HA 0.602 4.943 4.340 0.001 0.000 0.265 391 Q C -0.940 175.139 176.000 0.132 0.000 1.022 391 Q CA -0.529 55.349 55.803 0.124 0.000 0.853 391 Q CB 2.219 31.010 28.738 0.089 0.000 1.327 391 Q HN 0.133 nan 8.270 nan 0.000 0.449 392 S N 1.889 117.664 115.700 0.125 0.000 2.722 392 S HA 0.582 5.053 4.470 0.001 0.000 0.292 392 S C -2.187 172.482 174.600 0.115 0.000 1.135 392 S CA -1.044 57.240 58.200 0.139 0.000 1.003 392 S CB 0.860 64.145 63.200 0.142 0.000 1.067 392 S HN 0.499 nan 8.310 nan 0.000 0.546 393 P HA 0.225 nan 4.420 nan 0.000 0.276 393 P C -1.136 176.209 177.300 0.074 0.000 1.244 393 P CA -0.390 62.773 63.100 0.105 0.000 0.801 393 P CB 0.601 32.400 31.700 0.163 0.000 1.006 394 E N 1.988 122.205 120.200 0.030 0.000 2.046 394 E HA 0.203 4.554 4.350 0.001 0.000 0.279 394 E C -0.324 176.257 176.600 -0.033 0.000 0.989 394 E CA -0.674 55.732 56.400 0.010 0.000 0.798 394 E CB 0.298 29.997 29.700 -0.002 0.000 1.086 394 E HN 0.255 nan 8.360 nan 0.000 0.399 395 I N 5.793 126.354 120.570 -0.015 0.000 2.311 395 I HA 0.005 4.176 4.170 0.001 0.000 0.297 395 I C 1.268 177.354 176.117 -0.051 0.000 1.131 395 I CA 0.362 61.622 61.300 -0.067 0.000 1.289 395 I CB 0.297 38.297 38.000 0.000 0.000 1.446 395 I HN 0.554 nan 8.210 nan 0.000 0.524 396 K N 3.676 124.020 120.400 -0.093 0.000 2.283 396 K HA 0.011 4.332 4.320 0.001 0.000 0.202 396 K C 0.245 176.840 176.600 -0.008 0.000 1.048 396 K CA 0.913 57.172 56.287 -0.047 0.000 0.948 396 K CB 0.335 32.796 32.500 -0.064 0.000 0.742 396 K HN 0.381 nan 8.250 nan 0.000 0.458 397 V N 2.791 122.697 119.914 -0.014 0.000 2.465 397 V HA 0.169 4.290 4.120 0.001 0.000 0.263 397 V C -2.483 173.656 176.094 0.075 0.000 0.981 397 V CA -1.698 60.630 62.300 0.046 0.000 0.838 397 V CB 0.779 32.652 31.823 0.082 0.000 1.068 397 V HN 0.026 nan 8.190 nan 0.000 0.458 398 P HA 0.178 nan 4.420 nan 0.000 0.270 398 P C -0.044 177.358 177.300 0.171 0.000 1.227 398 P CA -0.036 63.154 63.100 0.151 0.000 0.788 398 P CB 0.794 32.571 31.700 0.129 0.000 0.926 399 I N 2.324 123.022 120.570 0.213 0.000 2.396 399 I HA 0.152 4.322 4.170 0.001 0.000 0.289 399 I C -1.855 174.340 176.117 0.130 0.000 1.056 399 I CA -2.009 59.365 61.300 0.123 0.000 1.365 399 I CB 0.351 38.398 38.000 0.079 0.000 1.407 399 I HN 0.200 nan 8.210 nan 0.000 0.509 400 P HA -0.087 nan 4.420 nan 0.000 0.261 400 P C 0.422 177.795 177.300 0.121 0.000 1.173 400 P CA 0.145 63.280 63.100 0.058 0.000 0.760 400 P CB 0.515 32.214 31.700 -0.002 0.000 0.783 401 Q N 3.916 123.819 119.800 0.172 0.000 2.135 401 Q HA -0.243 4.097 4.340 0.001 0.000 0.204 401 Q C 1.573 177.706 176.000 0.222 0.000 0.981 401 Q CA 1.762 57.715 55.803 0.252 0.000 0.856 401 Q CB -0.053 28.774 28.738 0.148 0.000 0.902 401 Q HN 0.466 nan 8.270 nan 0.000 0.425 402 K N -0.789 119.672 120.400 0.101 0.000 2.442 402 K HA -0.096 4.224 4.320 0.001 0.000 0.198 402 K C 0.458 177.055 176.600 -0.005 0.000 1.042 402 K CA 1.312 57.630 56.287 0.052 0.000 0.958 402 K CB 0.216 32.727 32.500 0.019 0.000 0.766 402 K HN 0.086 nan 8.250 nan 0.000 0.474 403 D N 0.206 120.557 120.400 -0.082 0.000 2.349 403 D HA 0.031 4.672 4.640 0.001 0.000 0.224 403 D C -0.565 175.495 176.300 -0.401 0.000 1.029 403 D CA 0.389 54.223 54.000 -0.277 0.000 0.879 403 D CB 0.048 40.606 40.800 -0.404 0.000 0.906 403 D HN 0.251 nan 8.370 nan 0.000 0.528 404 W N 0.950 122.201 121.300 -0.083 0.000 2.516 404 W HA 0.304 4.964 4.660 0.001 0.000 0.343 404 W C 1.172 177.656 176.519 -0.059 0.000 1.094 404 W CA -0.833 56.462 57.345 -0.083 0.000 1.250 404 W CB 0.653 30.078 29.460 -0.057 0.000 1.308 404 W HN -0.308 nan 8.180 nan 0.000 0.588 405 T N -0.742 113.935 114.554 0.205 0.000 2.833 405 T HA 0.671 5.021 4.350 0.001 0.000 0.292 405 T C 0.644 175.413 174.700 0.115 0.000 1.031 405 T CA -0.481 61.685 62.100 0.109 0.000 0.937 405 T CB 0.327 69.238 68.868 0.071 0.000 1.256 405 T HN 0.569 nan 8.240 nan 0.000 0.551 406 G N 0.585 109.427 108.800 0.070 0.000 2.634 406 G HA2 0.515 4.476 3.960 0.001 0.000 0.255 406 G HA3 0.515 4.476 3.960 0.001 0.000 0.255 406 G C -2.747 172.182 174.900 0.048 0.000 1.205 406 G CA -1.347 43.783 45.100 0.050 0.000 0.884 406 G HN 0.619 nan 8.290 nan 0.000 0.549 407 P HA 0.273 nan 4.420 nan 0.000 0.274 407 P C -0.339 176.964 177.300 0.006 0.000 1.231 407 P CA -0.127 62.978 63.100 0.009 0.000 0.790 407 P CB 0.967 32.660 31.700 -0.012 0.000 0.951 408 I N 1.668 122.229 120.570 -0.015 0.000 2.750 408 I HA 0.347 4.517 4.170 0.001 0.000 0.279 408 I C 1.032 177.105 176.117 -0.073 0.000 1.206 408 I CA -0.096 61.189 61.300 -0.025 0.000 1.101 408 I CB 0.193 38.180 38.000 -0.022 0.000 1.431 408 I HN 0.646 nan 8.210 nan 0.000 0.551 409 G N 3.984 112.758 108.800 -0.043 0.000 2.588 409 G HA2 -0.247 3.714 3.960 0.001 0.000 0.273 409 G HA3 -0.247 3.714 3.960 0.001 0.000 0.273 409 G C 0.711 175.569 174.900 -0.071 0.000 1.211 409 G CA -0.005 45.062 45.100 -0.055 0.000 0.958 409 G HN 0.446 nan 8.290 nan 0.000 0.543 410 E N 0.900 121.048 120.200 -0.085 0.000 2.400 410 E HA 0.195 4.546 4.350 0.001 0.000 0.195 410 E C 1.594 178.189 176.600 -0.008 0.000 1.012 410 E CA 0.902 57.254 56.400 -0.080 0.000 0.875 410 E CB 0.273 29.909 29.700 -0.106 0.000 0.859 410 E HN 0.765 nan 8.360 nan 0.000 0.498 411 I N -2.042 118.518 120.570 -0.016 0.000 2.982 411 I HA 0.531 4.702 4.170 0.001 0.000 0.312 411 I C -0.370 175.762 176.117 0.025 0.000 1.041 411 I CA -1.165 60.167 61.300 0.053 0.000 1.053 411 I CB 1.688 39.697 38.000 0.015 0.000 1.248 411 I HN -0.346 nan 8.210 nan 0.000 0.471 412 R N 2.829 123.370 120.500 0.067 0.000 2.686 412 R HA 0.629 4.969 4.340 0.001 0.000 0.283 412 R C -1.175 175.334 176.300 0.349 0.000 0.978 412 R CA -0.770 55.423 56.100 0.156 0.000 0.897 412 R CB 2.517 32.875 30.300 0.098 0.000 1.192 412 R HN 0.586 nan 8.270 nan 0.000 0.457 413 I N 2.992 123.723 120.570 0.268 0.000 2.428 413 I HA 0.118 4.289 4.170 0.001 0.000 0.289 413 I C 0.060 176.184 176.117 0.013 0.000 1.019 413 I CA -0.511 60.899 61.300 0.183 0.000 1.351 413 I CB 0.956 39.019 38.000 0.105 0.000 1.412 413 I HN 0.293 nan 8.210 nan 0.000 0.513 414 L N 7.300 128.288 121.223 -0.393 0.000 2.283 414 L HA 0.254 4.595 4.340 0.001 0.000 0.287 414 L C 0.029 176.476 176.870 -0.705 0.000 1.073 414 L CA -0.304 54.019 54.840 -0.861 0.000 0.822 414 L CB 0.319 41.665 42.059 -1.187 0.000 1.186 414 L HN 0.637 nan 8.230 nan 0.000 0.436 415 K N 3.625 123.727 120.400 -0.497 0.000 2.485 415 K HA -0.075 4.245 4.320 0.001 0.000 0.277 415 K C 0.732 177.099 176.600 -0.389 0.000 0.990 415 K CA -0.236 55.840 56.287 -0.351 0.000 0.994 415 K CB 0.974 33.327 32.500 -0.245 0.000 0.906 415 K HN 0.508 nan 8.250 nan 0.000 0.488 416 D N 1.301 121.520 120.400 -0.302 0.000 2.219 416 D HA -0.114 4.526 4.640 0.001 0.000 0.205 416 D C 1.608 177.772 176.300 -0.226 0.000 0.970 416 D CA 1.320 55.156 54.000 -0.274 0.000 0.851 416 D CB 0.201 40.882 40.800 -0.200 0.000 0.943 416 D HN 0.722 nan 8.370 nan 0.000 0.488 417 T N -2.186 112.253 114.554 -0.192 0.000 3.051 417 T HA -0.075 4.276 4.350 0.001 0.000 0.269 417 T C 1.226 175.826 174.700 -0.165 0.000 1.127 417 T CA 0.444 62.454 62.100 -0.150 0.000 1.107 417 T CB -0.451 68.347 68.868 -0.117 0.000 0.898 417 T HN -0.121 nan 8.240 nan 0.000 0.517 418 T N 1.924 116.341 114.554 -0.228 0.000 2.937 418 T HA 0.158 4.508 4.350 0.001 0.000 0.316 418 T C 1.366 175.958 174.700 -0.179 0.000 1.079 418 T CA 0.408 62.369 62.100 -0.233 0.000 1.131 418 T CB 0.511 69.172 68.868 -0.344 0.000 1.000 418 T HN 0.540 nan 8.240 nan 0.000 0.549 419 S N 2.393 118.021 115.700 -0.120 0.000 2.503 419 S HA 0.173 4.643 4.470 0.001 0.000 0.215 419 S C 1.186 175.778 174.600 -0.012 0.000 1.003 419 S CA -0.062 58.105 58.200 -0.054 0.000 0.910 419 S CB -0.004 63.185 63.200 -0.018 0.000 0.790 419 S HN 0.685 nan 8.310 nan 0.000 0.514 420 S N 1.048 116.720 115.700 -0.048 0.000 2.569 420 S HA 0.225 4.696 4.470 0.001 0.000 0.274 420 S C 1.284 175.921 174.600 0.062 0.000 1.353 420 S CA -0.478 57.735 58.200 0.020 0.000 1.023 420 S CB -0.116 63.057 63.200 -0.045 0.000 0.876 420 S HN 0.408 nan 8.310 nan 0.000 0.540 421 I N 2.927 123.624 120.570 0.212 0.000 2.614 421 I HA -0.092 4.078 4.170 0.001 0.000 0.258 421 I C 2.554 178.773 176.117 0.170 0.000 1.189 421 I CA 1.007 62.502 61.300 0.325 0.000 1.462 421 I CB -0.880 37.341 38.000 0.369 0.000 1.092 421 I HN 0.744 nan 8.210 nan 0.000 0.442 422 A N 1.546 124.361 122.820 -0.008 0.000 1.986 422 A HA -0.274 4.046 4.320 0.001 0.000 0.220 422 A C 2.479 179.925 177.584 -0.229 0.000 1.171 422 A CA 1.877 53.727 52.037 -0.311 0.000 0.640 422 A CB -0.754 17.892 19.000 -0.590 0.000 0.811 422 A HN 0.438 nan 8.150 nan 0.000 0.451 423 R N -1.459 118.870 120.500 -0.286 0.000 2.134 423 R HA -0.267 4.073 4.340 0.001 0.000 0.248 423 R C 1.855 177.977 176.300 -0.296 0.000 1.143 423 R CA 2.553 58.416 56.100 -0.394 0.000 0.957 423 R CB -0.539 29.406 30.300 -0.591 0.000 0.867 423 R HN 0.597 nan 8.270 nan 0.000 0.441 424 Y N 0.124 120.450 120.300 0.044 0.000 2.263 424 Y HA -0.133 4.417 4.550 0.001 0.000 0.292 424 Y C 2.077 178.054 175.900 0.129 0.000 1.130 424 Y CA 0.939 59.093 58.100 0.089 0.000 1.179 424 Y CB -0.488 38.030 38.460 0.097 0.000 0.998 424 Y HN 0.142 nan 8.280 nan 0.000 0.532 425 L N -1.044 120.313 121.223 0.223 0.000 2.191 425 L HA -0.203 4.138 4.340 0.001 0.000 0.212 425 L C 2.128 179.194 176.870 0.326 0.000 1.103 425 L CA 1.574 56.568 54.840 0.257 0.000 0.769 425 L CB -0.758 41.336 42.059 0.057 0.000 0.908 425 L HN 0.290 nan 8.230 nan 0.000 0.438 426 Y N 0.150 120.483 120.300 0.055 0.000 2.114 426 Y HA -0.182 4.369 4.550 0.001 0.000 0.284 426 Y C 2.735 178.726 175.900 0.152 0.000 1.119 426 Y CA 1.693 59.828 58.100 0.057 0.000 1.108 426 Y CB -0.155 38.236 38.460 -0.115 0.000 0.995 426 Y HN 0.033 nan 8.280 nan 0.000 0.491 427 R N -0.595 120.046 120.500 0.235 0.000 2.113 427 R HA -0.212 4.129 4.340 0.001 0.000 0.244 427 R C 2.140 178.543 176.300 0.171 0.000 1.142 427 R CA 2.310 58.503 56.100 0.155 0.000 0.953 427 R CB -0.851 29.528 30.300 0.132 0.000 0.860 427 R HN 0.350 nan 8.270 nan 0.000 0.438 428 T N -0.484 114.185 114.554 0.192 0.000 2.708 428 T HA -0.171 4.179 4.350 0.001 0.000 0.266 428 T C 1.320 176.076 174.700 0.094 0.000 1.037 428 T CA 1.460 63.642 62.100 0.137 0.000 1.146 428 T CB -0.259 68.682 68.868 0.121 0.000 0.865 428 T HN 0.409 nan 8.240 nan 0.000 0.435 429 W N 0.145 121.488 121.300 0.073 0.000 2.436 429 W HA 0.062 4.722 4.660 0.001 0.000 0.284 429 W C 2.146 178.659 176.519 -0.011 0.000 1.225 429 W CA 0.150 57.525 57.345 0.048 0.000 1.271 429 W CB -0.594 28.885 29.460 0.033 0.000 1.114 429 W HN 0.298 nan 8.180 nan 0.000 0.559 430 Y N -0.003 120.285 120.300 -0.020 0.000 2.114 430 Y HA -0.279 4.271 4.550 0.001 0.000 0.284 430 Y C 2.360 178.226 175.900 -0.057 0.000 1.143 430 Y CA 1.658 59.678 58.100 -0.132 0.000 1.135 430 Y CB -0.747 37.550 38.460 -0.271 0.000 0.980 430 Y HN -0.226 nan 8.280 nan 0.000 0.499 431 L N 0.381 121.727 121.223 0.204 0.000 1.971 431 L HA -0.264 4.076 4.340 0.001 0.000 0.215 431 L C 2.635 179.462 176.870 -0.071 0.000 1.072 431 L CA 2.314 57.209 54.840 0.091 0.000 0.758 431 L CB -1.911 40.220 42.059 0.119 0.000 0.889 431 L HN 0.459 nan 8.230 nan 0.000 0.433 432 A N -0.608 122.184 122.820 -0.046 0.000 1.892 432 A HA -0.223 4.097 4.320 0.001 0.000 0.218 432 A C 2.481 179.880 177.584 -0.309 0.000 1.188 432 A CA 2.349 54.303 52.037 -0.140 0.000 0.631 432 A CB -0.900 18.102 19.000 0.004 0.000 0.822 432 A HN 0.531 nan 8.150 nan 0.000 0.447 433 A N -0.142 122.588 122.820 -0.151 0.000 1.873 433 A HA 0.054 4.374 4.320 0.001 0.000 0.218 433 A C 2.565 179.984 177.584 -0.275 0.000 1.193 433 A CA 2.637 54.578 52.037 -0.160 0.000 0.629 433 A CB -1.234 17.704 19.000 -0.103 0.000 0.826 433 A HN 1.232 nan 8.150 nan 0.000 0.447 434 A N -0.424 122.200 122.820 -0.325 0.000 1.908 434 A HA -0.206 4.114 4.320 0.001 0.000 0.218 434 A C 2.267 179.678 177.584 -0.289 0.000 1.181 434 A CA 1.737 53.594 52.037 -0.300 0.000 0.627 434 A CB -0.467 18.350 19.000 -0.305 0.000 0.818 434 A HN 0.590 nan 8.150 nan 0.000 0.445 435 R N -1.503 118.742 120.500 -0.425 0.000 2.090 435 R HA -0.008 4.332 4.340 0.001 0.000 0.228 435 R C 2.329 178.238 176.300 -0.652 0.000 1.110 435 R CA 1.170 56.955 56.100 -0.525 0.000 0.973 435 R CB -0.373 29.536 30.300 -0.653 0.000 0.869 435 R HN 0.593 nan 8.270 nan 0.000 0.440 436 M N 1.101 120.192 119.600 -0.847 0.000 2.059 436 M HA -0.095 4.385 4.480 0.001 0.000 0.259 436 M C 2.094 178.237 176.300 -0.262 0.000 1.072 436 M CA 2.204 57.206 55.300 -0.497 0.000 1.117 436 M CB -0.584 31.831 32.600 -0.309 0.000 1.320 436 M HN 0.147 nan 8.290 nan 0.000 0.408 437 A N -0.032 122.660 122.820 -0.213 0.000 2.019 437 A HA 0.061 4.381 4.320 0.001 0.000 0.219 437 A C 2.209 179.863 177.584 0.116 0.000 1.164 437 A CA 1.811 53.808 52.037 -0.068 0.000 0.644 437 A CB -1.008 17.990 19.000 -0.004 0.000 0.805 437 A HN 0.704 nan 8.150 nan 0.000 0.449 438 A N -0.874 121.944 122.820 -0.004 0.000 2.167 438 A HA 0.098 4.419 4.320 0.001 0.000 0.214 438 A C 1.043 178.666 177.584 0.065 0.000 1.151 438 A CA -0.005 52.063 52.037 0.052 0.000 0.735 438 A CB -0.201 18.780 19.000 -0.031 0.000 0.802 438 A HN 0.660 nan 8.150 nan 0.000 0.467 439 Q N 0.060 119.856 119.800 -0.007 0.000 2.297 439 Q HA 0.134 4.474 4.340 0.001 0.000 0.267 439 Q C -1.730 174.281 176.000 0.017 0.000 1.006 439 Q CA -1.752 54.033 55.803 -0.029 0.000 0.896 439 Q CB 0.624 29.298 28.738 -0.106 0.000 1.186 439 Q HN 0.171 nan 8.270 nan 0.000 0.392 440 P HA -0.250 nan 4.420 nan 0.000 0.216 440 P C 1.056 178.390 177.300 0.057 0.000 1.150 440 P CA 1.141 64.322 63.100 0.136 0.000 0.843 440 P CB 0.119 31.864 31.700 0.075 0.000 0.787 441 R N -0.315 120.129 120.500 -0.093 0.000 2.105 441 R HA -0.128 4.212 4.340 0.001 0.000 0.239 441 R C 1.640 177.719 176.300 -0.367 0.000 1.135 441 R CA 2.059 58.029 56.100 -0.215 0.000 0.967 441 R CB -1.199 28.897 30.300 -0.339 0.000 0.861 441 R HN 0.113 nan 8.270 nan 0.000 0.442 442 T N -0.175 114.065 114.554 -0.523 0.000 2.778 442 T HA -0.181 4.169 4.350 0.001 0.000 0.269 442 T C 0.675 175.109 174.700 -0.444 0.000 1.050 442 T CA 1.792 63.535 62.100 -0.595 0.000 1.137 442 T CB -0.258 68.089 68.868 -0.868 0.000 0.860 442 T HN 0.543 nan 8.240 nan 0.000 0.468 443 W N 1.291 122.696 121.300 0.174 0.000 3.330 443 W HA 0.319 4.979 4.660 0.001 0.000 0.348 443 W C 0.382 176.991 176.519 0.149 0.000 1.205 443 W CA -1.041 56.420 57.345 0.194 0.000 1.841 443 W CB 0.159 29.683 29.460 0.106 0.000 1.084 443 W HN 0.021 nan 8.180 nan 0.000 0.665 444 D N 0.916 121.449 120.400 0.222 0.000 2.277 444 D HA 0.084 4.724 4.640 0.001 0.000 0.249 444 D C -1.523 174.877 176.300 0.167 0.000 1.134 444 D CA -2.245 51.859 54.000 0.174 0.000 0.863 444 D CB 1.988 42.861 40.800 0.122 0.000 1.143 444 D HN -0.152 nan 8.370 nan 0.000 0.458 445 P HA -0.179 nan 4.420 nan 0.000 0.217 445 P C 1.547 178.861 177.300 0.025 0.000 1.151 445 P CA 0.609 63.742 63.100 0.054 0.000 0.849 445 P CB 0.190 31.914 31.700 0.040 0.000 0.787 446 L N -1.384 119.869 121.223 0.049 0.000 2.017 446 L HA -0.140 4.201 4.340 0.001 0.000 0.208 446 L C 2.201 179.100 176.870 0.049 0.000 1.073 446 L CA 1.792 56.652 54.840 0.033 0.000 0.745 446 L CB -1.563 40.522 42.059 0.044 0.000 0.894 446 L HN -0.124 nan 8.230 nan 0.000 0.432 447 F N 0.367 120.293 119.950 -0.039 0.000 2.161 447 F HA -0.246 4.281 4.527 0.001 0.000 0.300 447 F C 2.415 178.167 175.800 -0.081 0.000 1.089 447 F CA 2.010 59.983 58.000 -0.046 0.000 1.282 447 F CB -0.369 38.607 39.000 -0.040 0.000 1.010 447 F HN 0.289 nan 8.300 nan 0.000 0.485 448 Q N -0.393 119.287 119.800 -0.201 0.000 2.230 448 Q HA -0.039 4.301 4.340 0.001 0.000 0.202 448 Q C 2.410 178.213 176.000 -0.329 0.000 0.963 448 Q CA 0.960 56.527 55.803 -0.394 0.000 0.866 448 Q CB -0.327 28.209 28.738 -0.336 0.000 0.931 448 Q HN 0.519 nan 8.270 nan 0.000 0.452 449 A N 0.980 123.678 122.820 -0.204 0.000 1.929 449 A HA -0.124 4.197 4.320 0.001 0.000 0.216 449 A C 2.002 179.494 177.584 -0.153 0.000 1.176 449 A CA 0.823 52.771 52.037 -0.148 0.000 0.628 449 A CB -0.452 18.501 19.000 -0.078 0.000 0.816 449 A HN 0.260 nan 8.150 nan 0.000 0.444 450 I N -0.612 119.843 120.570 -0.190 0.000 2.179 450 I HA -0.280 3.890 4.170 0.001 0.000 0.242 450 I C 2.557 178.515 176.117 -0.265 0.000 1.088 450 I CA 1.206 62.396 61.300 -0.183 0.000 1.357 450 I CB -0.313 37.588 38.000 -0.165 0.000 1.051 450 I HN 0.268 nan 8.210 nan 0.000 0.409 451 M N 0.022 119.368 119.600 -0.423 0.000 2.213 451 M HA -0.163 4.317 4.480 0.001 0.000 0.263 451 M C 2.302 178.401 176.300 -0.335 0.000 1.062 451 M CA 1.695 56.776 55.300 -0.365 0.000 1.105 451 M CB -1.105 31.224 32.600 -0.451 0.000 1.385 451 M HN 0.195 nan 8.290 nan 0.000 0.417 452 R N -0.282 120.019 120.500 -0.332 0.000 2.193 452 R HA -0.030 4.311 4.340 0.001 0.000 0.213 452 R C 2.221 178.257 176.300 -0.440 0.000 1.055 452 R CA 1.441 57.330 56.100 -0.352 0.000 0.995 452 R CB -0.129 30.025 30.300 -0.242 0.000 0.893 452 R HN 0.447 nan 8.270 nan 0.000 0.459 453 S N -0.408 115.146 115.700 -0.242 0.000 2.524 453 S HA -0.040 4.430 4.470 0.001 0.000 0.216 453 S C 1.828 176.281 174.600 -0.244 0.000 0.987 453 S CA -0.090 58.062 58.200 -0.079 0.000 0.909 453 S CB 0.317 63.669 63.200 0.254 0.000 0.781 453 S HN 0.235 nan 8.310 nan 0.000 0.521 454 Q N 0.858 120.443 119.800 -0.358 0.000 2.096 454 Q HA -0.191 4.149 4.340 0.001 0.000 0.204 454 Q C 1.297 177.207 176.000 -0.150 0.000 0.982 454 Q CA 1.989 57.671 55.803 -0.202 0.000 0.850 454 Q CB -0.222 28.444 28.738 -0.121 0.000 0.901 454 Q HN 1.000 nan 8.270 nan 0.000 0.422 455 Y N -2.679 117.605 120.300 -0.027 0.000 2.485 455 Y HA 0.384 4.934 4.550 0.001 0.000 0.260 455 Y C 0.143 175.949 175.900 -0.157 0.000 1.173 455 Y CA -0.594 57.471 58.100 -0.060 0.000 1.252 455 Y CB -0.064 38.383 38.460 -0.022 0.000 1.123 455 Y HN -0.260 nan 8.280 nan 0.000 0.524 456 V N 3.662 123.399 119.914 -0.293 0.000 2.276 456 V HA 0.270 4.391 4.120 0.001 0.000 0.249 456 V C 0.391 176.173 176.094 -0.520 0.000 1.160 456 V CA 0.470 62.442 62.300 -0.546 0.000 1.042 456 V CB -0.869 30.293 31.823 -1.101 0.000 1.224 456 V HN 0.651 nan 8.190 nan 0.000 0.496 457 T N 1.112 115.492 114.554 -0.290 0.000 2.669 457 T HA 0.691 5.041 4.350 0.001 0.000 0.283 457 T C 0.979 175.605 174.700 -0.123 0.000 1.019 457 T CA 0.013 62.002 62.100 -0.186 0.000 1.039 457 T CB 1.978 70.800 68.868 -0.076 0.000 1.374 457 T HN 0.267 nan 8.240 nan 0.000 0.523 458 A N -0.205 122.578 122.820 -0.061 0.000 2.067 458 A HA 0.250 4.571 4.320 0.001 0.000 0.217 458 A C 1.324 178.889 177.584 -0.031 0.000 1.156 458 A CA 0.110 52.126 52.037 -0.036 0.000 0.683 458 A CB -0.617 18.373 19.000 -0.017 0.000 0.808 458 A HN 0.695 nan 8.150 nan 0.000 0.455 459 R N -0.134 120.348 120.500 -0.029 0.000 2.738 459 R HA 0.325 4.665 4.340 0.001 0.000 0.268 459 R C 0.806 177.094 176.300 -0.021 0.000 1.062 459 R CA 0.214 56.301 56.100 -0.022 0.000 1.158 459 R CB 0.192 30.483 30.300 -0.014 0.000 1.046 459 R HN 0.316 nan 8.270 nan 0.000 0.493 460 G N -0.714 108.074 108.800 -0.021 0.000 2.544 460 G HA2 0.316 4.276 3.960 0.001 0.000 0.242 460 G HA3 0.316 4.276 3.960 0.001 0.000 0.242 460 G C 0.244 175.138 174.900 -0.009 0.000 1.247 460 G CA -0.262 44.828 45.100 -0.017 0.000 0.840 460 G HN 0.661 nan 8.290 nan 0.000 0.578 461 G N -1.250 107.549 108.800 -0.001 0.000 4.552 461 G HA2 0.382 4.343 3.960 0.001 0.000 0.281 461 G HA3 0.382 4.343 3.960 0.001 0.000 0.281 461 G C 0.384 175.289 174.900 0.009 0.000 1.037 461 G CA 0.611 45.712 45.100 0.001 0.000 0.806 461 G HN 1.196 nan 8.290 nan 0.000 0.495 462 S N -0.779 114.925 115.700 0.007 0.000 3.682 462 S HA -0.222 4.248 4.470 0.001 0.000 0.354 462 S C 2.087 176.702 174.600 0.024 0.000 1.034 462 S CA 0.801 59.009 58.200 0.013 0.000 1.084 462 S CB -1.351 61.862 63.200 0.023 0.000 0.903 462 S HN 1.174 nan 8.310 nan 0.000 0.470 463 G N 1.333 110.152 108.800 0.031 0.000 2.505 463 G HA2 -0.127 3.833 3.960 0.001 0.000 0.220 463 G HA3 -0.127 3.833 3.960 0.001 0.000 0.220 463 G C 1.541 176.472 174.900 0.052 0.000 1.145 463 G CA 1.256 46.391 45.100 0.058 0.000 0.761 463 G HN 1.034 nan 8.290 nan 0.000 0.571 464 A N 1.256 124.091 122.820 0.025 0.000 1.851 464 A HA 0.174 4.495 4.320 0.001 0.000 0.216 464 A C 2.880 180.478 177.584 0.023 0.000 1.195 464 A CA 2.758 54.805 52.037 0.016 0.000 0.622 464 A CB -1.046 17.950 19.000 -0.007 0.000 0.831 464 A HN 1.002 nan 8.150 nan 0.000 0.444 465 A N -0.734 122.099 122.820 0.021 0.000 1.972 465 A HA -0.021 4.299 4.320 0.001 0.000 0.219 465 A C 2.210 179.816 177.584 0.038 0.000 1.169 465 A CA 1.606 53.658 52.037 0.026 0.000 0.635 465 A CB -0.621 18.393 19.000 0.025 0.000 0.810 465 A HN 0.742 nan 8.150 nan 0.000 0.446 466 L N -0.505 120.742 121.223 0.041 0.000 2.017 466 L HA -0.138 4.203 4.340 0.001 0.000 0.208 466 L C 2.562 179.467 176.870 0.060 0.000 1.073 466 L CA 2.259 57.126 54.840 0.045 0.000 0.745 466 L CB -0.320 41.767 42.059 0.045 0.000 0.894 466 L HN 0.440 nan 8.230 nan 0.000 0.432 467 R N -0.440 120.102 120.500 0.071 0.000 2.120 467 R HA -0.190 4.151 4.340 0.001 0.000 0.234 467 R C 2.061 178.432 176.300 0.119 0.000 1.123 467 R CA 1.834 57.988 56.100 0.091 0.000 0.975 467 R CB -0.150 30.202 30.300 0.086 0.000 0.866 467 R HN 0.537 nan 8.270 nan 0.000 0.446 468 E N -0.310 119.944 120.200 0.090 0.000 2.046 468 E HA -0.131 4.219 4.350 0.001 0.000 0.190 468 E C 2.017 178.705 176.600 0.148 0.000 0.982 468 E CA 1.470 57.940 56.400 0.116 0.000 0.800 468 E CB 0.062 29.794 29.700 0.053 0.000 0.756 468 E HN 0.444 nan 8.360 nan 0.000 0.449 469 S N 0.670 116.421 115.700 0.085 0.000 2.383 469 S HA -0.126 4.344 4.470 0.001 0.000 0.227 469 S C 1.980 176.608 174.600 0.046 0.000 1.026 469 S CA 0.635 58.868 58.200 0.055 0.000 0.981 469 S CB -0.166 63.050 63.200 0.027 0.000 0.818 469 S HN 0.052 nan 8.310 nan 0.000 0.472 470 L N 0.576 121.835 121.223 0.060 0.000 2.109 470 L HA 0.176 4.516 4.340 0.001 0.000 0.207 470 L C 2.357 179.249 176.870 0.037 0.000 1.086 470 L CA 1.421 56.283 54.840 0.038 0.000 0.760 470 L CB -1.295 40.792 42.059 0.047 0.000 0.910 470 L HN 0.537 nan 8.230 nan 0.000 0.437 471 Y N 0.218 120.519 120.300 0.002 0.000 2.333 471 Y HA -0.173 4.378 4.550 0.001 0.000 0.290 471 Y C 2.153 178.053 175.900 -0.001 0.000 1.144 471 Y CA 1.197 59.297 58.100 0.002 0.000 1.228 471 Y CB -0.311 38.151 38.460 0.003 0.000 0.985 471 Y HN 0.133 nan 8.280 nan 0.000 0.542 472 A N 0.900 123.653 122.820 -0.112 0.000 2.248 472 A HA 0.010 4.331 4.320 0.001 0.000 0.210 472 A C 1.558 179.022 177.584 -0.199 0.000 1.174 472 A CA 1.296 53.241 52.037 -0.153 0.000 0.750 472 A CB -1.364 17.644 19.000 0.012 0.000 0.780 472 A HN 0.748 nan 8.150 nan 0.000 0.478 473 I N -6.392 114.058 120.570 -0.201 0.000 3.658 473 I HA 0.272 4.442 4.170 0.001 0.000 0.328 473 I C -0.409 175.618 176.117 -0.150 0.000 1.567 473 I CA -0.575 60.638 61.300 -0.146 0.000 1.078 473 I CB -0.081 37.865 38.000 -0.088 0.000 1.267 473 I HN 0.035 nan 8.210 nan 0.000 0.495 474 N N 1.045 119.595 118.700 -0.249 0.000 2.735 474 N HA -0.125 4.615 4.740 0.001 0.000 0.248 474 N C -0.447 175.009 175.510 -0.090 0.000 1.083 474 N CA 0.743 53.678 53.050 -0.191 0.000 0.703 474 N CB -1.335 37.073 38.487 -0.131 0.000 1.005 474 N HN 0.374 nan 8.380 nan 0.000 0.550 475 V N 0.656 120.528 119.914 -0.070 0.000 2.284 475 V HA 0.266 4.386 4.120 0.001 0.000 0.274 475 V C 0.388 176.481 176.094 -0.002 0.000 1.023 475 V CA -0.516 61.777 62.300 -0.011 0.000 0.808 475 V CB 1.631 33.469 31.823 0.025 0.000 1.035 475 V HN 0.273 nan 8.190 nan 0.000 0.445 476 S N 5.600 121.299 115.700 -0.001 0.000 2.525 476 S HA 0.721 5.191 4.470 0.001 0.000 0.278 476 S C -0.432 174.162 174.600 -0.010 0.000 1.234 476 S CA -0.472 57.742 58.200 0.024 0.000 1.058 476 S CB 0.561 63.779 63.200 0.030 0.000 0.983 476 S HN 0.546 nan 8.310 nan 0.000 0.495 477 L N 5.128 126.350 121.223 -0.002 0.000 2.322 477 L HA 0.483 4.824 4.340 0.001 0.000 0.279 477 L C -2.103 174.703 176.870 -0.106 0.000 1.036 477 L CA -2.369 52.443 54.840 -0.046 0.000 0.807 477 L CB 1.020 43.072 42.059 -0.012 0.000 1.226 477 L HN 0.485 nan 8.230 nan 0.000 0.433 478 P HA -0.019 nan 4.420 nan 0.000 0.265 478 P C -0.578 176.476 177.300 -0.411 0.000 1.187 478 P CA 0.009 62.848 63.100 -0.435 0.000 0.766 478 P CB 0.470 31.701 31.700 -0.783 0.000 0.820 479 D N 1.236 121.476 120.400 -0.268 0.000 2.367 479 D HA 0.016 4.656 4.640 0.001 0.000 0.207 479 D C -0.068 176.352 176.300 0.200 0.000 1.034 479 D CA -0.165 53.853 54.000 0.029 0.000 0.861 479 D CB -0.601 40.231 40.800 0.053 0.000 0.943 479 D HN 0.166 nan 8.370 nan 0.000 0.515 480 F N 0.557 120.613 119.950 0.176 0.000 2.943 480 F HA -0.248 4.279 4.527 0.001 0.000 0.258 480 F C 0.560 176.437 175.800 0.129 0.000 0.995 480 F CA -0.024 58.082 58.000 0.178 0.000 0.896 480 F CB -2.056 37.106 39.000 0.270 0.000 0.821 480 F HN 0.048 nan 8.300 nan 0.000 0.828 481 K N 1.001 121.509 120.400 0.179 0.000 2.453 481 K HA 0.334 4.654 4.320 0.001 0.000 0.280 481 K C 1.354 178.014 176.600 0.100 0.000 1.045 481 K CA 1.063 57.418 56.287 0.114 0.000 1.059 481 K CB -0.018 32.520 32.500 0.064 0.000 0.901 481 K HN 0.807 nan 8.250 nan 0.000 0.475 482 G N 3.354 112.194 108.800 0.067 0.000 2.179 482 G HA2 -0.218 3.743 3.960 0.001 0.000 0.220 482 G HA3 -0.218 3.743 3.960 0.001 0.000 0.220 482 G C -0.088 174.829 174.900 0.029 0.000 0.990 482 G CA -0.307 44.819 45.100 0.044 0.000 0.646 482 G HN 0.551 nan 8.290 nan 0.000 0.517 483 L N 1.648 122.884 121.223 0.021 0.000 2.281 483 L HA 0.336 4.677 4.340 0.001 0.000 0.285 483 L C -1.441 175.355 176.870 -0.123 0.000 1.074 483 L CA -1.668 53.140 54.840 -0.054 0.000 0.817 483 L CB 1.425 43.383 42.059 -0.167 0.000 1.168 483 L HN -0.119 nan 8.230 nan 0.000 0.434 484 P HA -0.031 nan 4.420 nan 0.000 0.277 484 P C -0.517 176.654 177.300 -0.214 0.000 1.617 484 P CA 0.219 63.245 63.100 -0.123 0.000 0.829 484 P CB -0.380 31.285 31.700 -0.059 0.000 1.774 485 V N -3.508 116.231 119.914 -0.292 0.000 2.815 485 V HA 0.454 4.574 4.120 0.001 0.000 0.314 485 V C 0.123 176.045 176.094 -0.287 0.000 1.064 485 V CA -1.618 60.480 62.300 -0.336 0.000 0.952 485 V CB 2.298 33.837 31.823 -0.474 0.000 1.020 485 V HN -0.156 nan 8.190 nan 0.000 0.439 486 K N 2.446 122.710 120.400 -0.228 0.000 2.336 486 K HA 0.464 4.784 4.320 0.001 0.000 0.290 486 K C 1.230 177.649 176.600 -0.302 0.000 1.067 486 K CA 0.420 56.577 56.287 -0.217 0.000 0.962 486 K CB 0.866 33.283 32.500 -0.138 0.000 1.008 486 K HN 1.006 nan 8.250 nan 0.000 0.467 487 A N 4.318 126.828 122.820 -0.517 0.000 1.978 487 A HA -0.121 4.199 4.320 0.001 0.000 0.220 487 A C 1.486 178.845 177.584 -0.375 0.000 1.170 487 A CA 1.663 53.126 52.037 -0.958 0.000 0.636 487 A CB -0.338 18.038 19.000 -1.041 0.000 0.810 487 A HN 0.775 nan 8.150 nan 0.000 0.448 488 A N 0.844 123.540 122.820 -0.207 0.000 2.900 488 A HA 0.442 4.763 4.320 0.001 0.000 0.246 488 A C 0.703 178.266 177.584 -0.034 0.000 1.725 488 A CA 0.721 52.708 52.037 -0.082 0.000 1.400 488 A CB -1.516 17.435 19.000 -0.082 0.000 0.973 488 A HN 0.713 nan 8.150 nan 0.000 0.635 489 T N -4.076 110.490 114.554 0.019 0.000 2.909 489 T HA 0.433 4.783 4.350 0.001 0.000 0.299 489 T C 0.525 175.262 174.700 0.062 0.000 1.073 489 T CA -0.814 61.303 62.100 0.028 0.000 0.999 489 T CB 1.527 70.407 68.868 0.021 0.000 1.098 489 T HN 0.227 nan 8.240 nan 0.000 0.477 490 K N 1.032 121.428 120.400 -0.007 0.000 2.209 490 K HA 0.025 4.346 4.320 0.001 0.000 0.204 490 K C 1.812 178.329 176.600 -0.138 0.000 1.048 490 K CA 1.059 57.318 56.287 -0.046 0.000 0.940 490 K CB -0.348 32.121 32.500 -0.052 0.000 0.729 490 K HN 0.612 nan 8.250 nan 0.000 0.451 491 I N 0.198 120.677 120.570 -0.152 0.000 2.179 491 I HA -0.296 3.874 4.170 0.001 0.000 0.242 491 I C 2.197 178.260 176.117 -0.089 0.000 1.088 491 I CA 1.251 62.405 61.300 -0.243 0.000 1.357 491 I CB -0.234 37.693 38.000 -0.121 0.000 1.051 491 I HN 0.077 nan 8.210 nan 0.000 0.409 492 F N 1.554 121.502 119.950 -0.003 0.000 2.134 492 F HA -0.257 4.271 4.527 0.001 0.000 0.299 492 F C 2.658 178.495 175.800 0.061 0.000 1.097 492 F CA 1.716 59.812 58.000 0.160 0.000 1.264 492 F CB -0.378 38.726 39.000 0.174 0.000 1.001 492 F HN 0.040 nan 8.300 nan 0.000 0.479 493 Q N -0.180 119.676 119.800 0.093 0.000 2.096 493 Q HA -0.241 4.099 4.340 0.001 0.000 0.204 493 Q C 2.446 178.353 176.000 -0.155 0.000 0.982 493 Q CA 1.632 57.429 55.803 -0.010 0.000 0.850 493 Q CB -0.507 28.239 28.738 0.014 0.000 0.901 493 Q HN 0.545 nan 8.270 nan 0.000 0.422 494 A N 0.863 123.499 122.820 -0.308 0.000 1.902 494 A HA -0.166 4.154 4.320 0.001 0.000 0.217 494 A C 2.277 179.638 177.584 -0.372 0.000 1.181 494 A CA 1.681 53.391 52.037 -0.545 0.000 0.623 494 A CB -0.833 17.566 19.000 -1.001 0.000 0.818 494 A HN 0.442 nan 8.150 nan 0.000 0.443 495 A N -0.734 121.830 122.820 -0.426 0.000 1.908 495 A HA -0.245 4.075 4.320 0.001 0.000 0.218 495 A C 2.128 179.678 177.584 -0.057 0.000 1.181 495 A CA 1.762 53.538 52.037 -0.435 0.000 0.627 495 A CB -0.595 17.734 19.000 -1.118 0.000 0.818 495 A HN 0.670 nan 8.150 nan 0.000 0.445 496 Q N -0.790 118.969 119.800 -0.068 0.000 2.167 496 Q HA -0.009 4.331 4.340 0.001 0.000 0.202 496 Q C 1.914 177.907 176.000 -0.012 0.000 0.970 496 Q CA 1.258 57.048 55.803 -0.022 0.000 0.855 496 Q CB -0.198 28.483 28.738 -0.095 0.000 0.911 496 Q HN 0.695 nan 8.270 nan 0.000 0.438 497 L N -0.389 120.834 121.223 -0.000 0.000 2.307 497 L HA 0.070 4.411 4.340 0.001 0.000 0.211 497 L C 2.409 179.341 176.870 0.103 0.000 1.099 497 L CA 0.311 55.183 54.840 0.053 0.000 0.816 497 L CB -0.537 41.572 42.059 0.084 0.000 0.952 497 L HN 0.127 nan 8.230 nan 0.000 0.455 498 A N 1.122 124.021 122.820 0.132 0.000 1.968 498 A HA -0.293 4.027 4.320 0.001 0.000 0.227 498 A C 1.490 179.139 177.584 0.108 0.000 1.381 498 A CA 2.464 54.610 52.037 0.183 0.000 0.697 498 A CB -0.725 18.351 19.000 0.127 0.000 0.836 498 A HN 0.584 nan 8.150 nan 0.000 0.497 499 N N -0.386 118.347 118.700 0.056 0.000 2.538 499 N HA 0.397 5.138 4.740 0.001 0.000 0.291 499 N C -1.034 174.468 175.510 -0.013 0.000 1.323 499 N CA 0.106 53.169 53.050 0.022 0.000 0.934 499 N CB 0.517 39.007 38.487 0.006 0.000 1.255 499 N HN 0.432 nan 8.380 nan 0.000 0.509 500 L N 0.769 121.997 121.223 0.008 0.000 2.365 500 L HA 0.562 4.903 4.340 0.001 0.000 0.273 500 L C -2.347 174.566 176.870 0.071 0.000 1.000 500 L CA -1.837 52.987 54.840 -0.026 0.000 0.819 500 L CB 2.026 44.069 42.059 -0.027 0.000 1.284 500 L HN -0.227 nan 8.230 nan 0.000 0.418 501 P HA 0.070 nan 4.420 nan 0.000 0.272 501 P C 0.456 177.893 177.300 0.227 0.000 1.223 501 P CA -0.417 62.814 63.100 0.218 0.000 0.784 501 P CB 0.541 32.412 31.700 0.285 0.000 0.923 502 F N 2.365 122.353 119.950 0.063 0.000 2.147 502 F HA -0.289 4.238 4.527 0.001 0.000 0.301 502 F C 2.102 177.898 175.800 -0.007 0.000 1.084 502 F CA 2.455 60.463 58.000 0.012 0.000 1.268 502 F CB -0.846 38.140 39.000 -0.024 0.000 1.009 502 F HN 0.313 nan 8.300 nan 0.000 0.486 503 S N -1.207 114.437 115.700 -0.093 0.000 2.419 503 S HA -0.240 4.230 4.470 0.001 0.000 0.233 503 S C 1.916 176.316 174.600 -0.333 0.000 1.016 503 S CA 1.467 59.513 58.200 -0.257 0.000 0.974 503 S CB -1.062 62.047 63.200 -0.152 0.000 0.786 503 S HN 0.628 nan 8.310 nan 0.000 0.492 504 H N 1.468 120.455 119.070 -0.138 0.000 2.512 504 H HA 0.079 4.636 4.556 0.001 0.000 0.279 504 H C 2.065 177.313 175.328 -0.133 0.000 0.999 504 H CA 1.678 57.663 56.048 -0.106 0.000 1.283 504 H CB -0.015 29.712 29.762 -0.058 0.000 1.421 504 H HN 0.750 nan 8.280 nan 0.000 0.554 505 T N -2.829 111.673 114.554 -0.087 0.000 3.054 505 T HA 0.116 4.467 4.350 0.001 0.000 0.255 505 T C 1.980 176.535 174.700 -0.241 0.000 1.035 505 T CA 0.159 62.192 62.100 -0.112 0.000 0.941 505 T CB 0.148 68.987 68.868 -0.048 0.000 1.026 505 T HN -0.017 nan 8.240 nan 0.000 0.533 506 S N 2.359 117.787 115.700 -0.454 0.000 2.378 506 S HA -0.198 4.273 4.470 0.001 0.000 0.229 506 S C 2.327 176.814 174.600 -0.187 0.000 1.052 506 S CA 1.884 59.768 58.200 -0.526 0.000 1.084 506 S CB -0.910 61.990 63.200 -0.499 0.000 0.950 506 S HN 0.739 nan 8.310 nan 0.000 0.440 507 V N 0.544 120.384 119.914 -0.122 0.000 2.688 507 V HA -0.073 4.047 4.120 0.001 0.000 0.256 507 V C 2.165 178.237 176.094 -0.037 0.000 1.084 507 V CA 1.555 63.821 62.300 -0.058 0.000 1.103 507 V CB -1.486 30.305 31.823 -0.054 0.000 0.688 507 V HN 0.443 nan 8.190 nan 0.000 0.480 508 A N 0.547 123.341 122.820 -0.044 0.000 2.125 508 A HA 0.011 4.332 4.320 0.001 0.000 0.219 508 A C 2.097 179.681 177.584 -0.000 0.000 1.156 508 A CA 1.824 53.853 52.037 -0.015 0.000 0.671 508 A CB -0.770 18.224 19.000 -0.011 0.000 0.794 508 A HN 0.640 nan 8.150 nan 0.000 0.459 509 I N -0.739 119.831 120.570 -0.001 0.000 2.614 509 I HA -0.175 3.995 4.170 0.001 0.000 0.258 509 I C 1.419 177.553 176.117 0.028 0.000 1.189 509 I CA 0.940 62.260 61.300 0.033 0.000 1.462 509 I CB -0.093 37.952 38.000 0.075 0.000 1.092 509 I HN 0.277 nan 8.210 nan 0.000 0.442 510 L N 0.279 121.505 121.223 0.005 0.000 2.667 510 L HA 0.331 4.671 4.340 0.001 0.000 0.232 510 L C 1.165 178.028 176.870 -0.011 0.000 1.138 510 L CA -0.516 54.313 54.840 -0.019 0.000 0.921 510 L CB -0.235 41.798 42.059 -0.043 0.000 1.180 510 L HN 0.054 nan 8.230 nan 0.000 0.487 511 A N -0.001 122.824 122.820 0.008 0.000 2.406 511 A HA 0.147 4.468 4.320 0.001 0.000 0.243 511 A C 0.026 177.626 177.584 0.026 0.000 1.082 511 A CA -0.404 51.642 52.037 0.015 0.000 0.786 511 A CB 0.158 19.171 19.000 0.023 0.000 1.029 511 A HN 0.135 nan 8.150 nan 0.000 0.495 512 D N 0.390 120.803 120.400 0.021 0.000 2.364 512 D HA 0.254 4.894 4.640 0.001 0.000 0.236 512 D C 0.024 176.361 176.300 0.063 0.000 1.221 512 D CA 1.069 55.087 54.000 0.030 0.000 0.891 512 D CB 0.321 41.134 40.800 0.021 0.000 1.190 512 D HN 0.430 nan 8.370 nan 0.000 0.449 513 T N 0.781 115.399 114.554 0.108 0.000 2.812 513 T HA 0.326 4.676 4.350 0.001 0.000 0.282 513 T C -0.164 174.617 174.700 0.134 0.000 0.990 513 T CA -0.671 61.521 62.100 0.153 0.000 0.960 513 T CB 1.114 70.152 68.868 0.283 0.000 0.948 513 T HN 0.062 nan 8.240 nan 0.000 0.438 514 S N 3.614 119.341 115.700 0.045 0.000 2.465 514 S HA 0.321 4.791 4.470 0.001 0.000 0.279 514 S C 0.212 174.774 174.600 -0.064 0.000 1.201 514 S CA -0.661 57.531 58.200 -0.012 0.000 1.053 514 S CB 0.357 63.541 63.200 -0.026 0.000 0.953 514 S HN 0.717 nan 8.310 nan 0.000 0.488 515 M N 4.233 123.762 119.600 -0.118 0.000 2.219 515 M HA 0.408 4.889 4.480 0.001 0.000 0.353 515 M C 0.356 176.586 176.300 -0.117 0.000 1.304 515 M CA 0.037 55.226 55.300 -0.185 0.000 1.115 515 M CB 0.047 32.496 32.600 -0.252 0.000 1.664 515 M HN 0.696 nan 8.290 nan 0.000 0.459 516 G N 4.154 112.894 108.800 -0.100 0.000 2.597 516 G HA2 0.747 4.708 3.960 0.001 0.000 0.317 516 G HA3 0.747 4.708 3.960 0.001 0.000 0.317 516 G C -1.936 172.943 174.900 -0.034 0.000 1.230 516 G CA -0.743 44.322 45.100 -0.057 0.000 0.996 516 G HN 0.667 nan 8.290 nan 0.000 0.490 517 L N -0.882 120.337 121.223 -0.007 0.000 2.465 517 L HA 0.750 5.090 4.340 0.001 0.000 0.257 517 L C -0.401 176.481 176.870 0.020 0.000 0.988 517 L CA -0.664 54.188 54.840 0.019 0.000 0.827 517 L CB 2.663 44.753 42.059 0.051 0.000 1.397 517 L HN 0.654 nan 8.230 nan 0.000 0.410 518 R N 2.164 122.681 120.500 0.028 0.000 2.508 518 R HA 0.474 4.814 4.340 0.001 0.000 0.283 518 R C -1.441 174.887 176.300 0.047 0.000 1.120 518 R CA -0.634 55.477 56.100 0.018 0.000 0.958 518 R CB 1.168 31.474 30.300 0.011 0.000 1.215 518 R HN 0.673 nan 8.270 nan 0.000 0.427 519 N N 2.563 121.284 118.700 0.035 0.000 2.483 519 N HA 0.224 4.964 4.740 0.001 0.000 0.269 519 N C -0.723 174.952 175.510 0.274 0.000 1.209 519 N CA -0.171 52.953 53.050 0.124 0.000 0.969 519 N CB 1.097 39.646 38.487 0.104 0.000 1.173 519 N HN 0.529 nan 8.380 nan 0.000 0.475 520 Q N 0.065 120.082 119.800 0.361 0.000 2.451 520 Q HA 0.443 4.784 4.340 0.001 0.000 0.281 520 Q C -0.774 175.316 176.000 0.150 0.000 1.099 520 Q CA -0.878 55.133 55.803 0.346 0.000 0.806 520 Q CB 2.245 31.070 28.738 0.145 0.000 1.419 520 Q HN 0.217 nan 8.270 nan 0.000 0.427 521 V N 1.879 121.689 119.914 -0.173 0.000 2.649 521 V HA -0.004 4.116 4.120 0.001 0.000 0.292 521 V C 0.616 176.599 176.094 -0.186 0.000 1.055 521 V CA 0.249 62.316 62.300 -0.388 0.000 1.023 521 V CB 0.805 32.285 31.823 -0.572 0.000 0.992 521 V HN 0.824 nan 8.190 nan 0.000 0.480 522 Q N 1.204 120.903 119.800 -0.167 0.000 2.437 522 Q HA -0.253 4.087 4.340 0.001 0.000 0.274 522 Q C 0.237 176.178 176.000 -0.098 0.000 1.165 522 Q CA 1.393 57.114 55.803 -0.137 0.000 0.925 522 Q CB -0.759 27.897 28.738 -0.138 0.000 1.327 522 Q HN 0.734 nan 8.270 nan 0.000 0.505 523 R N -0.283 120.182 120.500 -0.059 0.000 2.692 523 R HA 0.395 4.736 4.340 0.001 0.000 0.269 523 R C -0.940 175.393 176.300 0.055 0.000 1.030 523 R CA -0.914 55.179 56.100 -0.013 0.000 0.882 523 R CB 1.237 31.538 30.300 0.001 0.000 1.250 523 R HN 0.222 nan 8.270 nan 0.000 0.465 524 R N 1.492 122.051 120.500 0.099 0.000 2.774 524 R HA 0.357 4.697 4.340 0.001 0.000 0.269 524 R C -2.344 174.049 176.300 0.154 0.000 1.068 524 R CA -1.336 54.887 56.100 0.205 0.000 1.180 524 R CB -0.102 30.318 30.300 0.199 0.000 1.077 524 R HN 0.254 nan 8.270 nan 0.000 0.513 525 P HA 0.062 nan 4.420 nan 0.000 0.269 525 P C -0.960 176.386 177.300 0.077 0.000 1.209 525 P CA -0.169 63.003 63.100 0.119 0.000 0.776 525 P CB 0.577 32.344 31.700 0.111 0.000 0.876 526 R N 1.951 122.490 120.500 0.065 0.000 2.254 526 R HA 0.382 4.723 4.340 0.001 0.000 0.318 526 R C -0.428 175.894 176.300 0.037 0.000 1.031 526 R CA -0.122 56.002 56.100 0.041 0.000 0.905 526 R CB 0.359 30.681 30.300 0.037 0.000 1.050 526 R HN 0.460 nan 8.270 nan 0.000 0.456 527 S N 4.591 120.315 115.700 0.039 0.000 2.565 527 S HA 0.373 4.843 4.470 0.001 0.000 0.274 527 S C 0.072 174.673 174.600 0.002 0.000 1.309 527 S CA -0.465 57.763 58.200 0.046 0.000 1.043 527 S CB 0.838 64.138 63.200 0.167 0.000 0.939 527 S HN 0.501 nan 8.310 nan 0.000 0.504 528 I N 3.377 123.922 120.570 -0.043 0.000 2.405 528 I HA 0.232 4.402 4.170 0.001 0.000 0.280 528 I C -0.693 175.354 176.117 -0.117 0.000 1.027 528 I CA -0.250 61.015 61.300 -0.059 0.000 1.161 528 I CB 0.827 38.803 38.000 -0.039 0.000 1.300 528 I HN 0.333 nan 8.210 nan 0.000 0.463 529 M N 8.015 127.529 119.600 -0.142 0.000 2.208 529 M HA 0.362 4.842 4.480 0.001 0.000 0.352 529 M C -2.647 173.606 176.300 -0.078 0.000 1.137 529 M CA -2.482 52.710 55.300 -0.180 0.000 1.091 529 M CB 0.056 32.463 32.600 -0.322 0.000 1.309 529 M HN 0.083 nan 8.290 nan 0.000 0.408 530 P HA 0.377 nan 4.420 nan 0.000 0.291 530 P C -0.226 177.070 177.300 -0.007 0.000 1.340 530 P CA -0.352 62.734 63.100 -0.023 0.000 0.799 530 P CB 0.489 32.176 31.700 -0.021 0.000 0.917 531 L N 3.019 124.236 121.223 -0.010 0.000 2.476 531 L HA 0.181 4.521 4.340 0.001 0.000 0.264 531 L C 1.358 178.216 176.870 -0.021 0.000 1.224 531 L CA -0.325 54.515 54.840 -0.001 0.000 0.821 531 L CB -0.031 42.025 42.059 -0.005 0.000 1.101 531 L HN 0.420 nan 8.230 nan 0.000 0.488 532 N N -0.647 118.042 118.700 -0.018 0.000 2.458 532 N HA 0.206 4.946 4.740 0.001 0.000 0.271 532 N C 0.577 176.030 175.510 -0.095 0.000 1.210 532 N CA -0.868 52.164 53.050 -0.030 0.000 0.978 532 N CB 0.667 39.154 38.487 0.000 0.000 1.206 532 N HN 0.261 nan 8.380 nan 0.000 0.536 533 V N -0.039 119.827 119.914 -0.080 0.000 2.252 533 V HA -0.171 3.949 4.120 0.001 0.000 0.249 533 V C -0.875 175.139 176.094 -0.133 0.000 1.056 533 V CA 2.028 64.254 62.300 -0.124 0.000 1.022 533 V CB -1.679 30.153 31.823 0.014 0.000 0.641 533 V HN 0.699 nan 8.190 nan 0.000 0.445 534 P HA -0.157 nan 4.420 nan 0.000 0.216 534 P C 1.798 179.100 177.300 0.004 0.000 1.150 534 P CA 1.371 64.488 63.100 0.028 0.000 0.837 534 P CB -0.060 31.657 31.700 0.028 0.000 0.786 535 Q N -0.821 118.960 119.800 -0.031 0.000 2.046 535 Q HA -0.174 4.166 4.340 0.001 0.000 0.200 535 Q C 2.328 178.288 176.000 -0.068 0.000 0.975 535 Q CA 1.052 56.851 55.803 -0.007 0.000 0.836 535 Q CB -0.494 28.256 28.738 0.021 0.000 0.896 535 Q HN 0.333 nan 8.270 nan 0.000 0.428 536 Q N 0.744 120.394 119.800 -0.251 0.000 2.084 536 Q HA -0.238 4.103 4.340 0.001 0.000 0.202 536 Q C 2.051 177.835 176.000 -0.360 0.000 0.978 536 Q CA 1.522 57.066 55.803 -0.430 0.000 0.844 536 Q CB -0.304 27.822 28.738 -1.020 0.000 0.898 536 Q HN 0.486 nan 8.270 nan 0.000 0.426 537 Q N 0.422 120.001 119.800 -0.368 0.000 2.045 537 Q HA -0.154 4.186 4.340 0.001 0.000 0.206 537 Q C 2.039 178.098 176.000 0.099 0.000 0.991 537 Q CA 1.699 57.519 55.803 0.029 0.000 0.851 537 Q CB -0.070 28.747 28.738 0.131 0.000 0.911 537 Q HN 0.176 nan 8.270 nan 0.000 0.418 538 V N 0.585 120.552 119.914 0.089 0.000 2.913 538 V HA -0.158 3.962 4.120 0.001 0.000 0.260 538 V C 1.827 178.006 176.094 0.140 0.000 1.098 538 V CA 1.788 64.162 62.300 0.123 0.000 1.121 538 V CB -0.097 31.818 31.823 0.153 0.000 0.714 538 V HN 0.386 nan 8.190 nan 0.000 0.487 539 S N -0.101 115.683 115.700 0.141 0.000 2.562 539 S HA 0.075 4.546 4.470 0.001 0.000 0.221 539 S C 2.143 176.911 174.600 0.280 0.000 0.975 539 S CA 0.695 59.029 58.200 0.223 0.000 0.918 539 S CB -0.032 63.299 63.200 0.218 0.000 0.772 539 S HN 0.672 nan 8.310 nan 0.000 0.531 540 A N 2.907 125.882 122.820 0.260 0.000 1.903 540 A HA -0.114 4.207 4.320 0.001 0.000 0.219 540 A C -0.108 177.670 177.584 0.322 0.000 1.191 540 A CA 1.700 53.917 52.037 0.300 0.000 0.638 540 A CB -1.879 17.318 19.000 0.328 0.000 0.823 540 A HN 0.375 nan 8.150 nan 0.000 0.451 541 P HA -0.167 nan 4.420 nan 0.000 0.215 541 P C 1.451 178.958 177.300 0.344 0.000 1.153 541 P CA 1.591 64.832 63.100 0.235 0.000 0.853 541 P CB -0.242 31.554 31.700 0.159 0.000 0.788 542 H N -1.074 118.161 119.070 0.275 0.000 2.293 542 H HA -0.106 4.450 4.556 0.001 0.000 0.300 542 H C 1.553 177.127 175.328 0.411 0.000 1.082 542 H CA 1.786 58.046 56.048 0.354 0.000 1.308 542 H CB -0.104 29.884 29.762 0.376 0.000 1.375 542 H HN -0.012 nan 8.280 nan 0.000 0.495 543 T N 1.214 116.026 114.554 0.431 0.000 2.708 543 T HA -0.154 4.197 4.350 0.001 0.000 0.266 543 T C 2.228 177.118 174.700 0.317 0.000 1.037 543 T CA 1.327 63.611 62.100 0.307 0.000 1.146 543 T CB -0.313 68.702 68.868 0.245 0.000 0.865 543 T HN 0.229 nan 8.240 nan 0.000 0.435 544 L N 0.718 122.131 121.223 0.317 0.000 2.017 544 L HA -0.130 4.210 4.340 0.001 0.000 0.208 544 L C 2.946 179.994 176.870 0.296 0.000 1.073 544 L CA 1.320 56.338 54.840 0.297 0.000 0.745 544 L CB -1.063 41.163 42.059 0.279 0.000 0.894 544 L HN 0.299 nan 8.230 nan 0.000 0.432 545 T N -0.244 114.503 114.554 0.321 0.000 2.788 545 T HA -0.156 4.195 4.350 0.001 0.000 0.268 545 T C 1.987 176.829 174.700 0.237 0.000 1.044 545 T CA 1.193 63.471 62.100 0.297 0.000 1.139 545 T CB -0.248 68.871 68.868 0.418 0.000 0.867 545 T HN 0.446 nan 8.240 nan 0.000 0.454 546 A N 2.147 125.167 122.820 0.335 0.000 1.877 546 A HA -0.155 4.165 4.320 0.001 0.000 0.216 546 A C 2.132 179.813 177.584 0.161 0.000 1.186 546 A CA 1.701 53.852 52.037 0.191 0.000 0.620 546 A CB -0.673 18.556 19.000 0.382 0.000 0.822 546 A HN 0.330 nan 8.150 nan 0.000 0.443 547 D N -1.638 118.894 120.400 0.220 0.000 2.123 547 D HA -0.170 4.470 4.640 0.001 0.000 0.196 547 D C 1.665 178.097 176.300 0.219 0.000 0.992 547 D CA 1.514 55.637 54.000 0.204 0.000 0.833 547 D CB -0.496 40.430 40.800 0.209 0.000 0.954 547 D HN 0.607 nan 8.370 nan 0.000 0.455 548 Y N 1.247 121.645 120.300 0.162 0.000 2.165 548 Y HA -0.194 4.356 4.550 0.001 0.000 0.286 548 Y C 2.263 178.301 175.900 0.231 0.000 1.155 548 Y CA 1.352 59.589 58.100 0.228 0.000 1.164 548 Y CB -0.251 38.275 38.460 0.110 0.000 0.978 548 Y HN -0.076 nan 8.280 nan 0.000 0.513 549 I N 0.187 120.879 120.570 0.204 0.000 2.179 549 I HA -0.353 3.817 4.170 0.001 0.000 0.242 549 I C 1.726 177.870 176.117 0.046 0.000 1.088 549 I CA 1.479 62.821 61.300 0.070 0.000 1.357 549 I CB -0.482 37.432 38.000 -0.143 0.000 1.051 549 I HN 0.300 nan 8.210 nan 0.000 0.409 550 N N -0.195 118.545 118.700 0.067 0.000 2.396 550 N HA -0.190 4.551 4.740 0.001 0.000 0.180 550 N C 1.643 177.172 175.510 0.032 0.000 1.028 550 N CA 1.123 54.215 53.050 0.070 0.000 0.893 550 N CB -0.163 38.388 38.487 0.106 0.000 0.967 550 N HN 0.438 nan 8.380 nan 0.000 0.440 551 Y N 0.422 120.648 120.300 -0.124 0.000 2.389 551 Y HA 0.055 4.605 4.550 0.001 0.000 0.292 551 Y C 2.027 177.642 175.900 -0.476 0.000 1.117 551 Y CA 1.286 59.207 58.100 -0.298 0.000 1.195 551 Y CB 0.179 38.398 38.460 -0.402 0.000 1.076 551 Y HN 0.147 nan 8.280 nan 0.000 0.548 552 H N -2.016 116.944 119.070 -0.184 0.000 2.681 552 H HA 0.219 4.776 4.556 0.001 0.000 0.268 552 H C 1.451 176.704 175.328 -0.125 0.000 0.967 552 H CA 0.844 56.764 56.048 -0.214 0.000 1.233 552 H CB 0.455 30.004 29.762 -0.355 0.000 1.445 552 H HN 0.387 nan 8.280 nan 0.000 0.494 553 M N 0.926 120.548 119.600 0.036 0.000 2.461 553 M HA 0.059 4.539 4.480 0.001 0.000 0.255 553 M C 0.043 176.358 176.300 0.025 0.000 1.137 553 M CA 0.109 55.434 55.300 0.043 0.000 1.086 553 M CB 0.440 33.082 32.600 0.070 0.000 1.356 553 M HN 0.155 nan 8.290 nan 0.000 0.487 554 N N -0.063 118.643 118.700 0.011 0.000 2.831 554 N HA 0.439 5.180 4.740 0.001 0.000 0.276 554 N C -1.471 174.047 175.510 0.013 0.000 1.416 554 N CA -0.902 52.172 53.050 0.040 0.000 0.799 554 N CB 1.038 39.585 38.487 0.101 0.000 1.554 554 N HN -0.086 nan 8.380 nan 0.000 0.541 555 L N 1.188 122.445 121.223 0.056 0.000 2.314 555 L HA 0.625 4.965 4.340 0.001 0.000 0.275 555 L C -0.705 176.259 176.870 0.158 0.000 1.068 555 L CA -0.008 54.876 54.840 0.074 0.000 0.894 555 L CB -0.781 41.316 42.059 0.063 0.000 1.275 555 L HN 0.857 nan 8.230 nan 0.000 0.432 556 S N 5.149 120.963 115.700 0.190 0.000 2.632 556 S HA 0.962 5.433 4.470 0.001 0.000 0.289 556 S C -3.075 171.659 174.600 0.224 0.000 1.115 556 S CA -1.065 57.249 58.200 0.190 0.000 0.889 556 S CB 2.398 65.679 63.200 0.135 0.000 1.116 556 S HN 0.448 nan 8.310 nan 0.000 0.486 557 P HA 0.601 nan 4.420 nan 0.000 0.294 557 P C -1.335 175.998 177.300 0.056 0.000 1.297 557 P CA -0.728 62.407 63.100 0.059 0.000 1.025 557 P CB 2.050 33.725 31.700 -0.041 0.000 1.457 558 T N -0.795 113.781 114.554 0.037 0.000 3.504 558 T HA 0.247 4.597 4.350 0.001 0.000 0.286 558 T C 0.081 174.787 174.700 0.010 0.000 1.530 558 T CA -0.081 62.042 62.100 0.038 0.000 1.652 558 T CB -0.346 68.564 68.868 0.070 0.000 0.895 558 T HN 0.357 nan 8.240 nan 0.000 0.674 559 S N 0.777 116.457 115.700 -0.032 0.000 2.617 559 S HA 0.729 5.199 4.470 0.001 0.000 0.269 559 S C 1.136 175.711 174.600 -0.041 0.000 1.292 559 S CA -0.168 58.000 58.200 -0.053 0.000 1.010 559 S CB 0.825 63.954 63.200 -0.118 0.000 0.944 559 S HN 0.654 nan 8.310 nan 0.000 0.536 560 G N 0.813 109.591 108.800 -0.036 0.000 3.365 560 G HA2 0.306 4.267 3.960 0.001 0.000 0.185 560 G HA3 0.306 4.267 3.960 0.001 0.000 0.185 560 G C 0.627 175.506 174.900 -0.036 0.000 1.565 560 G CA 0.350 45.433 45.100 -0.028 0.000 0.984 560 G HN 0.704 nan 8.290 nan 0.000 0.604 561 S N -1.278 114.407 115.700 -0.026 0.000 2.604 561 S HA 0.524 4.994 4.470 0.001 0.000 0.235 561 S C 0.841 175.432 174.600 -0.015 0.000 1.043 561 S CA 0.658 58.850 58.200 -0.013 0.000 0.997 561 S CB -0.185 63.021 63.200 0.011 0.000 0.956 561 S HN 0.854 nan 8.310 nan 0.000 0.535 562 A N 1.004 123.797 122.820 -0.046 0.000 2.327 562 A HA 0.564 4.885 4.320 0.001 0.000 0.283 562 A C 1.368 178.880 177.584 -0.119 0.000 1.127 562 A CA -0.331 51.649 52.037 -0.095 0.000 0.810 562 A CB 0.552 19.481 19.000 -0.119 0.000 1.066 562 A HN 0.229 nan 8.150 nan 0.000 0.492 563 V N 3.154 122.960 119.914 -0.179 0.000 2.392 563 V HA -0.296 3.825 4.120 0.001 0.000 0.249 563 V C 2.340 178.354 176.094 -0.133 0.000 1.059 563 V CA 2.496 64.707 62.300 -0.150 0.000 1.051 563 V CB -1.307 30.403 31.823 -0.188 0.000 0.658 563 V HN 0.918 nan 8.190 nan 0.000 0.455 564 I N 0.797 121.243 120.570 -0.206 0.000 2.423 564 I HA -0.231 3.939 4.170 0.001 0.000 0.254 564 I C 1.904 178.019 176.117 -0.005 0.000 1.151 564 I CA 2.224 63.467 61.300 -0.094 0.000 1.421 564 I CB -0.548 37.392 38.000 -0.100 0.000 1.079 564 I HN 0.586 nan 8.210 nan 0.000 0.431 565 E N 1.345 121.530 120.200 -0.025 0.000 2.548 565 E HA 0.166 4.516 4.350 0.001 0.000 0.206 565 E C 0.510 177.094 176.600 -0.027 0.000 1.005 565 E CA -0.285 56.118 56.400 0.005 0.000 0.951 565 E CB 0.119 29.822 29.700 0.006 0.000 1.035 565 E HN 0.481 nan 8.360 nan 0.000 0.470 566 K N 1.422 121.799 120.400 -0.039 0.000 2.811 566 K HA 0.165 4.485 4.320 0.001 0.000 0.217 566 K C -0.257 176.320 176.600 -0.039 0.000 1.115 566 K CA -0.223 56.024 56.287 -0.067 0.000 1.179 566 K CB 0.902 33.357 32.500 -0.074 0.000 0.994 566 K HN -0.044 nan 8.250 nan 0.000 0.464 567 V N 1.543 121.433 119.914 -0.040 0.000 5.637 567 V HA -0.317 3.803 4.120 0.001 0.000 0.246 567 V C 1.379 177.447 176.094 -0.043 0.000 0.678 567 V CA 0.639 62.908 62.300 -0.051 0.000 0.578 567 V CB -2.228 29.499 31.823 -0.160 0.000 0.235 567 V HN 0.577 nan 8.190 nan 0.000 0.609 568 I N 0.349 120.932 120.570 0.021 0.000 2.143 568 I HA -0.257 3.913 4.170 0.001 0.000 0.245 568 I C 0.417 176.419 176.117 -0.190 0.000 1.068 568 I CA 2.555 63.904 61.300 0.082 0.000 1.326 568 I CB -1.224 36.856 38.000 0.133 0.000 1.028 568 I HN 0.475 nan 8.210 nan 0.000 0.412 569 P HA -0.213 nan 4.420 nan 0.000 0.216 569 P C 1.813 178.463 177.300 -1.083 0.000 1.153 569 P CA 1.256 64.005 63.100 -0.584 0.000 0.858 569 P CB -0.007 31.459 31.700 -0.391 0.000 0.789 570 L N -0.179 120.564 121.223 -0.800 0.000 1.989 570 L HA -0.092 4.249 4.340 0.001 0.000 0.211 570 L C 2.331 178.797 176.870 -0.673 0.000 1.071 570 L CA 2.530 56.943 54.840 -0.712 0.000 0.749 570 L CB -1.727 40.164 42.059 -0.279 0.000 0.890 570 L HN -0.023 nan 8.230 nan 0.000 0.431 571 G N -1.187 107.100 108.800 -0.855 0.000 2.440 571 G HA2 -0.225 3.735 3.960 0.001 0.000 0.218 571 G HA3 -0.225 3.735 3.960 0.001 0.000 0.218 571 G C 1.548 175.777 174.900 -1.119 0.000 1.154 571 G CA 1.249 45.497 45.100 -1.419 0.000 0.767 571 G HN 0.369 nan 8.290 nan 0.000 0.552 572 V N -0.109 119.269 119.914 -0.894 0.000 2.287 572 V HA -0.258 3.862 4.120 0.001 0.000 0.248 572 V C 2.286 178.200 176.094 -0.300 0.000 1.053 572 V CA 2.007 64.070 62.300 -0.395 0.000 1.027 572 V CB -0.843 30.814 31.823 -0.276 0.000 0.646 572 V HN 0.488 nan 8.190 nan 0.000 0.447 573 Y N 1.418 121.396 120.300 -0.537 0.000 2.114 573 Y HA -0.188 4.363 4.550 0.001 0.000 0.284 573 Y C 2.442 178.202 175.900 -0.233 0.000 1.143 573 Y CA 1.758 59.633 58.100 -0.375 0.000 1.135 573 Y CB -0.568 37.595 38.460 -0.494 0.000 0.980 573 Y HN 0.134 nan 8.280 nan 0.000 0.499 574 A N -0.648 122.098 122.820 -0.124 0.000 2.019 574 A HA -0.153 4.167 4.320 0.001 0.000 0.219 574 A C 2.250 179.761 177.584 -0.121 0.000 1.164 574 A CA 1.884 53.866 52.037 -0.091 0.000 0.644 574 A CB -1.101 17.864 19.000 -0.060 0.000 0.805 574 A HN 0.571 nan 8.150 nan 0.000 0.449 575 S N -1.196 114.427 115.700 -0.129 0.000 2.556 575 S HA 0.192 4.663 4.470 0.001 0.000 0.216 575 S C 0.494 175.047 174.600 -0.079 0.000 0.970 575 S CA 0.196 58.388 58.200 -0.013 0.000 0.912 575 S CB -0.142 63.133 63.200 0.126 0.000 0.790 575 S HN 0.196 nan 8.310 nan 0.000 0.504 576 S N 4.604 120.173 115.700 -0.218 0.000 2.439 576 S HA 0.436 4.907 4.470 0.001 0.000 0.282 576 S C -2.614 171.713 174.600 -0.455 0.000 1.170 576 S CA -0.973 57.035 58.200 -0.319 0.000 1.054 576 S CB 0.842 63.867 63.200 -0.291 0.000 0.956 576 S HN 0.324 nan 8.310 nan 0.000 0.490 577 P HA 0.129 nan 4.420 nan 0.000 0.269 577 P C -1.882 174.941 177.300 -0.795 0.000 1.209 577 P CA -1.290 61.313 63.100 -0.828 0.000 0.776 577 P CB 0.042 30.939 31.700 -1.339 0.000 0.876 578 P HA -0.082 nan 4.420 nan 0.000 0.230 578 P C -0.058 177.130 177.300 -0.187 0.000 1.158 578 P CA 1.024 63.962 63.100 -0.270 0.000 0.769 578 P CB 0.030 31.706 31.700 -0.041 0.000 0.807 579 N N 1.012 119.555 118.700 -0.260 0.000 2.415 579 N HA 0.113 4.854 4.740 0.001 0.000 0.248 579 N C 0.354 175.792 175.510 -0.119 0.000 1.271 579 N CA 0.398 53.328 53.050 -0.199 0.000 0.913 579 N CB 0.470 38.743 38.487 -0.357 0.000 1.129 579 N HN 0.193 nan 8.380 nan 0.000 0.444 580 Q N -0.422 119.356 119.800 -0.038 0.000 2.416 580 Q HA 0.533 4.873 4.340 0.001 0.000 0.281 580 Q C -1.164 174.861 176.000 0.041 0.000 1.067 580 Q CA -0.872 54.950 55.803 0.033 0.000 0.809 580 Q CB 2.180 30.968 28.738 0.084 0.000 1.418 580 Q HN 0.729 nan 8.270 nan 0.000 0.411 581 S N 0.672 116.420 115.700 0.081 0.000 2.541 581 S HA 0.686 5.156 4.470 0.001 0.000 0.280 581 S C -0.810 173.845 174.600 0.092 0.000 1.112 581 S CA -0.783 57.457 58.200 0.067 0.000 0.925 581 S CB 1.179 64.413 63.200 0.057 0.000 1.067 581 S HN 0.445 nan 8.310 nan 0.000 0.479 582 I N 2.909 123.507 120.570 0.047 0.000 2.378 582 I HA 0.383 4.553 4.170 0.001 0.000 0.291 582 I C -0.592 175.566 176.117 0.067 0.000 0.992 582 I CA -0.815 60.514 61.300 0.049 0.000 1.154 582 I CB 1.299 39.274 38.000 -0.042 0.000 1.315 582 I HN 0.690 nan 8.210 nan 0.000 0.448 583 N N 7.578 126.327 118.700 0.081 0.000 2.414 583 N HA 0.492 5.233 4.740 0.001 0.000 0.256 583 N C -0.465 175.093 175.510 0.080 0.000 1.029 583 N CA -0.220 52.878 53.050 0.081 0.000 0.948 583 N CB 2.169 40.704 38.487 0.080 0.000 1.102 583 N HN 0.475 nan 8.380 nan 0.000 0.496 584 I N 1.449 122.082 120.570 0.106 0.000 2.474 584 I HA 0.329 4.500 4.170 0.001 0.000 0.294 584 I C -0.548 175.664 176.117 0.158 0.000 1.005 584 I CA -0.729 60.642 61.300 0.118 0.000 1.113 584 I CB 1.744 39.812 38.000 0.113 0.000 1.289 584 I HN 0.188 nan 8.210 nan 0.000 0.436 585 D N 6.381 126.877 120.400 0.160 0.000 2.732 585 D HA 0.481 5.121 4.640 0.001 0.000 0.229 585 D C -0.566 175.801 176.300 0.112 0.000 1.152 585 D CA -0.262 53.809 54.000 0.119 0.000 0.854 585 D CB 3.005 43.841 40.800 0.060 0.000 1.590 585 D HN 0.273 nan 8.370 nan 0.000 0.468 586 I N 1.720 122.271 120.570 -0.032 0.000 2.291 586 I HA 0.083 4.254 4.170 0.001 0.000 0.290 586 I C 0.882 176.851 176.117 -0.245 0.000 1.050 586 I CA -0.419 60.719 61.300 -0.270 0.000 1.245 586 I CB 0.669 38.278 38.000 -0.651 0.000 1.405 586 I HN 0.215 nan 8.210 nan 0.000 0.478 587 S N 5.021 120.613 115.700 -0.180 0.000 2.576 587 S HA 0.482 4.953 4.470 0.001 0.000 0.276 587 S C 1.014 175.517 174.600 -0.163 0.000 1.339 587 S CA -0.216 57.908 58.200 -0.127 0.000 1.039 587 S CB 1.446 64.603 63.200 -0.072 0.000 0.902 587 S HN 1.070 nan 8.310 nan 0.000 0.516 588 A N 0.881 123.632 122.820 -0.114 0.000 2.511 588 A HA -0.219 4.101 4.320 0.001 0.000 0.297 588 A C 1.566 179.058 177.584 -0.154 0.000 1.476 588 A CA 0.567 52.543 52.037 -0.102 0.000 0.757 588 A CB -2.485 16.477 19.000 -0.063 0.000 1.072 588 A HN 1.396 nan 8.150 nan 0.000 0.413 589 C N -0.429 118.743 119.300 -0.213 0.000 2.413 589 C HA -0.153 4.308 4.460 0.001 0.000 0.277 589 C C 2.245 177.076 174.990 -0.264 0.000 1.228 589 C CA 1.816 60.618 59.018 -0.361 0.000 1.731 589 C CB -0.972 26.561 27.740 -0.345 0.000 2.042 589 C HN 0.781 nan 8.230 nan 0.000 0.468 590 D N 0.268 120.646 120.400 -0.036 0.000 2.149 590 D HA -0.087 4.554 4.640 0.001 0.000 0.198 590 D C 2.186 178.584 176.300 0.164 0.000 0.990 590 D CA 1.693 55.791 54.000 0.162 0.000 0.839 590 D CB -0.455 40.496 40.800 0.251 0.000 0.948 590 D HN 0.629 nan 8.370 nan 0.000 0.460 591 A N -0.001 122.870 122.820 0.085 0.000 2.206 591 A HA 0.027 4.347 4.320 0.001 0.000 0.211 591 A C 2.004 179.677 177.584 0.148 0.000 1.158 591 A CA 0.633 52.749 52.037 0.132 0.000 0.761 591 A CB 0.142 19.183 19.000 0.069 0.000 0.801 591 A HN 0.064 nan 8.150 nan 0.000 0.473 592 S N -0.467 115.293 115.700 0.100 0.000 2.539 592 S HA 0.304 4.774 4.470 0.001 0.000 0.221 592 S C 0.220 175.044 174.600 0.374 0.000 0.987 592 S CA -0.182 58.148 58.200 0.217 0.000 0.929 592 S CB 0.252 63.526 63.200 0.123 0.000 0.832 592 S HN 0.367 nan 8.310 nan 0.000 0.492 593 I N 4.170 124.860 120.570 0.200 0.000 2.377 593 I HA 0.263 4.434 4.170 0.001 0.000 0.282 593 I C 0.665 176.975 176.117 0.322 0.000 1.091 593 I CA 0.134 61.534 61.300 0.167 0.000 1.207 593 I CB -0.410 37.446 38.000 -0.239 0.000 1.429 593 I HN 0.151 nan 8.210 nan 0.000 0.491 594 T N 0.362 115.174 114.554 0.430 0.000 2.841 594 T HA 0.288 4.639 4.350 0.001 0.000 0.276 594 T C 0.976 175.930 174.700 0.423 0.000 1.003 594 T CA -0.561 61.794 62.100 0.424 0.000 0.995 594 T CB 2.101 71.195 68.868 0.377 0.000 1.260 594 T HN 0.525 nan 8.240 nan 0.000 0.581 595 W N 0.679 122.109 121.300 0.216 0.000 2.409 595 W HA -0.069 4.592 4.660 0.001 0.000 0.299 595 W C 1.013 177.610 176.519 0.131 0.000 1.203 595 W CA 1.715 59.152 57.345 0.153 0.000 1.298 595 W CB -0.588 28.926 29.460 0.091 0.000 1.127 595 W HN 0.733 nan 8.180 nan 0.000 0.528 596 D N -0.380 120.180 120.400 0.267 0.000 2.203 596 D HA -0.216 4.425 4.640 0.001 0.000 0.199 596 D C 1.458 177.842 176.300 0.140 0.000 0.997 596 D CA 1.997 56.104 54.000 0.179 0.000 0.863 596 D CB -0.508 40.433 40.800 0.235 0.000 0.928 596 D HN 0.220 nan 8.370 nan 0.000 0.458 597 F N -2.011 117.924 119.950 -0.025 0.000 2.182 597 F HA 0.161 4.688 4.527 0.001 0.000 0.254 597 F C 1.512 177.169 175.800 -0.238 0.000 0.972 597 F CA -0.229 57.686 58.000 -0.142 0.000 1.182 597 F CB -0.400 38.466 39.000 -0.224 0.000 1.382 597 F HN -0.243 nan 8.300 nan 0.000 0.718 598 F N 1.506 121.510 119.950 0.090 0.000 2.022 598 F HA -0.133 4.395 4.527 0.001 0.000 0.293 598 F C 2.287 177.958 175.800 -0.215 0.000 1.142 598 F CA 2.092 60.054 58.000 -0.064 0.000 1.177 598 F CB -1.090 37.977 39.000 0.112 0.000 0.982 598 F HN -0.090 nan 8.300 nan 0.000 0.473 599 L N -0.127 121.148 121.223 0.086 0.000 2.079 599 L HA -0.252 4.089 4.340 0.001 0.000 0.210 599 L C 2.573 179.176 176.870 -0.445 0.000 1.081 599 L CA 1.679 56.505 54.840 -0.023 0.000 0.752 599 L CB -1.139 41.104 42.059 0.307 0.000 0.896 599 L HN 0.284 nan 8.230 nan 0.000 0.433 600 S N -0.920 114.150 115.700 -1.051 0.000 2.383 600 S HA -0.115 4.355 4.470 0.001 0.000 0.227 600 S C 1.911 176.228 174.600 -0.472 0.000 1.026 600 S CA 1.030 58.281 58.200 -1.582 0.000 0.981 600 S CB -0.705 61.386 63.200 -1.848 0.000 0.818 600 S HN 0.171 nan 8.310 nan 0.000 0.472 601 V N 2.317 122.087 119.914 -0.241 0.000 2.244 601 V HA -0.084 4.037 4.120 0.001 0.000 0.244 601 V C 2.486 178.541 176.094 -0.064 0.000 1.042 601 V CA 1.817 64.096 62.300 -0.035 0.000 1.006 601 V CB -0.694 30.986 31.823 -0.238 0.000 0.641 601 V HN 0.474 nan 8.190 nan 0.000 0.446 602 I N -0.647 119.756 120.570 -0.277 0.000 2.163 602 I HA -0.297 3.873 4.170 0.001 0.000 0.243 602 I C 2.591 178.556 176.117 -0.254 0.000 1.085 602 I CA 1.451 62.461 61.300 -0.483 0.000 1.347 602 I CB -0.422 37.029 38.000 -0.915 0.000 1.044 602 I HN 0.267 nan 8.210 nan 0.000 0.408 603 M N 0.425 119.933 119.600 -0.153 0.000 2.149 603 M HA -0.184 4.297 4.480 0.001 0.000 0.261 603 M C 2.549 178.909 176.300 0.099 0.000 1.064 603 M CA 2.038 57.343 55.300 0.007 0.000 1.102 603 M CB -1.469 31.216 32.600 0.141 0.000 1.369 603 M HN 0.334 nan 8.290 nan 0.000 0.408 604 A N -0.152 122.741 122.820 0.121 0.000 1.897 604 A HA 0.098 4.418 4.320 0.001 0.000 0.215 604 A C 2.426 180.172 177.584 0.270 0.000 1.181 604 A CA 1.836 54.032 52.037 0.265 0.000 0.620 604 A CB -0.875 18.369 19.000 0.407 0.000 0.821 604 A HN 0.458 nan 8.150 nan 0.000 0.443 605 A N -0.031 122.818 122.820 0.048 0.000 1.933 605 A HA -0.064 4.256 4.320 0.001 0.000 0.218 605 A C 2.112 179.695 177.584 -0.003 0.000 1.175 605 A CA 1.533 53.403 52.037 -0.279 0.000 0.628 605 A CB -0.561 18.148 19.000 -0.485 0.000 0.814 605 A HN 0.504 nan 8.150 nan 0.000 0.444 606 I N -1.695 118.909 120.570 0.056 0.000 2.193 606 I HA -0.212 3.959 4.170 0.001 0.000 0.240 606 I C 2.570 178.716 176.117 0.048 0.000 1.084 606 I CA 1.416 62.754 61.300 0.063 0.000 1.365 606 I CB -0.637 37.428 38.000 0.109 0.000 1.064 606 I HN 0.500 nan 8.210 nan 0.000 0.410 607 H N 1.456 120.552 119.070 0.044 0.000 2.390 607 H HA -0.186 4.370 4.556 0.001 0.000 0.298 607 H C 1.836 177.196 175.328 0.053 0.000 1.106 607 H CA 1.747 57.830 56.048 0.059 0.000 1.297 607 H CB 0.333 30.152 29.762 0.095 0.000 1.375 607 H HN 0.353 nan 8.280 nan 0.000 0.509 608 E N -0.624 119.684 120.200 0.180 0.000 2.102 608 E HA 0.001 4.352 4.350 0.001 0.000 0.190 608 E C 2.507 179.031 176.600 -0.127 0.000 0.971 608 E CA 0.693 57.194 56.400 0.168 0.000 0.821 608 E CB -0.617 29.358 29.700 0.458 0.000 0.777 608 E HN 0.551 nan 8.360 nan 0.000 0.460 609 G N 1.047 109.570 108.800 -0.462 0.000 2.470 609 G HA2 -0.167 3.793 3.960 0.001 0.000 0.220 609 G HA3 -0.167 3.793 3.960 0.001 0.000 0.220 609 G C 1.622 176.253 174.900 -0.448 0.000 1.121 609 G CA 0.524 45.046 45.100 -0.962 0.000 0.766 609 G HN 0.156 nan 8.290 nan 0.000 0.553 610 V N 0.525 120.281 119.914 -0.263 0.000 3.354 610 V HA 0.167 4.288 4.120 0.001 0.000 0.258 610 V C 2.983 178.995 176.094 -0.137 0.000 1.159 610 V CA 1.020 63.218 62.300 -0.170 0.000 1.125 610 V CB 0.119 31.861 31.823 -0.135 0.000 0.774 610 V HN 0.446 nan 8.190 nan 0.000 0.464 611 A N 1.186 123.914 122.820 -0.154 0.000 1.869 611 A HA -0.292 4.028 4.320 0.001 0.000 0.218 611 A C 2.550 180.079 177.584 -0.092 0.000 1.203 611 A CA 2.844 54.810 52.037 -0.118 0.000 0.638 611 A CB -0.929 18.026 19.000 -0.074 0.000 0.831 611 A HN 0.701 nan 8.150 nan 0.000 0.450 612 S N -1.223 114.429 115.700 -0.081 0.000 2.406 612 S HA -0.059 4.411 4.470 0.001 0.000 0.228 612 S C 1.925 176.468 174.600 -0.095 0.000 1.020 612 S CA 1.506 59.663 58.200 -0.073 0.000 0.965 612 S CB -0.471 62.699 63.200 -0.050 0.000 0.798 612 S HN 0.422 nan 8.310 nan 0.000 0.488 613 S N 1.763 117.413 115.700 -0.082 0.000 2.470 613 S HA 0.078 4.549 4.470 0.001 0.000 0.225 613 S C 1.944 176.423 174.600 -0.202 0.000 1.006 613 S CA 0.804 58.956 58.200 -0.079 0.000 0.934 613 S CB -0.127 63.098 63.200 0.042 0.000 0.778 613 S HN 0.837 nan 8.310 nan 0.000 0.517 614 S N 0.717 116.329 115.700 -0.147 0.000 2.540 614 S HA 0.163 4.634 4.470 0.001 0.000 0.218 614 S C 1.400 175.827 174.600 -0.288 0.000 0.977 614 S CA -0.237 57.786 58.200 -0.296 0.000 0.918 614 S CB -0.402 62.847 63.200 0.083 0.000 0.806 614 S HN 0.217 nan 8.310 nan 0.000 0.496 615 I N 3.591 124.031 120.570 -0.215 0.000 3.256 615 I HA -0.274 3.897 4.170 0.001 0.000 0.193 615 I C 1.507 177.545 176.117 -0.132 0.000 0.822 615 I CA 2.198 63.406 61.300 -0.154 0.000 1.104 615 I CB -0.911 37.004 38.000 -0.141 0.000 0.853 615 I HN 0.497 nan 8.210 nan 0.000 0.331 616 G N 1.517 110.223 108.800 -0.157 0.000 4.912 616 G HA2 0.494 4.454 3.960 0.001 0.000 0.307 616 G HA3 0.494 4.454 3.960 0.001 0.000 0.307 616 G C -0.371 174.464 174.900 -0.109 0.000 1.381 616 G CA -0.426 44.611 45.100 -0.105 0.000 1.057 616 G HN 0.366 nan 8.290 nan 0.000 0.593 617 K N 0.835 121.164 120.400 -0.118 0.000 2.477 617 K HA 0.546 4.867 4.320 0.001 0.000 0.255 617 K C -2.851 173.785 176.600 0.059 0.000 0.952 617 K CA -1.796 54.452 56.287 -0.065 0.000 0.826 617 K CB 3.382 35.762 32.500 -0.201 0.000 1.331 617 K HN 0.042 nan 8.250 nan 0.000 0.437 618 P HA 0.354 nan 4.420 nan 0.000 0.281 618 P C -1.303 176.204 177.300 0.345 0.000 1.281 618 P CA -0.447 62.745 63.100 0.153 0.000 0.811 618 P CB 0.794 32.548 31.700 0.089 0.000 1.154 619 F N 0.937 120.935 119.950 0.081 0.000 2.588 619 F HA 0.364 4.891 4.527 0.001 0.000 0.318 619 F C 0.576 176.384 175.800 0.013 0.000 1.155 619 F CA -0.711 57.357 58.000 0.113 0.000 0.967 619 F CB 1.093 40.183 39.000 0.149 0.000 1.236 619 F HN 0.323 nan 8.300 nan 0.000 0.455 620 M N 4.999 124.262 119.600 -0.561 0.000 2.436 620 M HA -0.266 4.214 4.480 0.001 0.000 0.197 620 M C 1.059 177.230 176.300 -0.215 0.000 0.442 620 M CA 1.578 56.597 55.300 -0.468 0.000 0.473 620 M CB -1.766 30.492 32.600 -0.570 0.000 1.685 620 M HN 1.279 nan 8.290 nan 0.000 0.835 621 G N -1.773 106.948 108.800 -0.132 0.000 2.195 621 G HA2 -0.182 3.778 3.960 0.001 0.000 0.224 621 G HA3 -0.182 3.778 3.960 0.001 0.000 0.224 621 G C -0.111 174.745 174.900 -0.073 0.000 0.990 621 G CA -0.132 44.924 45.100 -0.073 0.000 0.639 621 G HN 0.497 nan 8.290 nan 0.000 0.514 622 V N 3.807 123.626 119.914 -0.158 0.000 2.407 622 V HA 0.526 4.647 4.120 0.001 0.000 0.278 622 V C -1.231 174.760 176.094 -0.172 0.000 1.037 622 V CA -1.353 60.716 62.300 -0.385 0.000 0.900 622 V CB 1.623 33.046 31.823 -0.666 0.000 0.983 622 V HN 0.265 nan 8.190 nan 0.000 0.459 623 P HA 0.319 nan 4.420 nan 0.000 0.276 623 P C -0.388 176.914 177.300 0.003 0.000 1.244 623 P CA -0.233 62.863 63.100 -0.006 0.000 0.801 623 P CB 1.250 32.982 31.700 0.053 0.000 1.006 624 A N 2.027 124.866 122.820 0.031 0.000 2.327 624 A HA 0.530 4.851 4.320 0.001 0.000 0.255 624 A C 0.679 178.299 177.584 0.059 0.000 1.099 624 A CA 0.449 52.509 52.037 0.037 0.000 0.801 624 A CB -0.457 18.558 19.000 0.025 0.000 1.062 624 A HN 0.772 nan 8.150 nan 0.000 0.496 625 S N -0.994 114.748 115.700 0.070 0.000 2.873 625 S HA 0.745 5.216 4.470 0.001 0.000 0.303 625 S C -1.120 173.525 174.600 0.074 0.000 1.222 625 S CA -0.672 57.579 58.200 0.085 0.000 0.923 625 S CB 0.652 63.929 63.200 0.128 0.000 1.286 625 S HN 0.668 nan 8.310 nan 0.000 0.571 626 I N 1.146 121.761 120.570 0.075 0.000 2.545 626 I HA 0.719 4.889 4.170 0.001 0.000 0.292 626 I C -0.870 175.284 176.117 0.062 0.000 1.040 626 I CA -0.791 60.545 61.300 0.061 0.000 1.068 626 I CB 1.490 39.517 38.000 0.045 0.000 1.251 626 I HN 0.596 nan 8.210 nan 0.000 0.424 627 V N 5.219 125.170 119.914 0.062 0.000 3.001 627 V HA 0.398 4.518 4.120 0.001 0.000 0.314 627 V C 0.122 176.237 176.094 0.035 0.000 1.099 627 V CA -0.951 61.379 62.300 0.049 0.000 0.989 627 V CB 2.761 34.625 31.823 0.069 0.000 1.040 627 V HN 0.788 nan 8.190 nan 0.000 0.434 628 N N 2.575 121.285 118.700 0.017 0.000 2.475 628 N HA 0.027 4.768 4.740 0.001 0.000 0.267 628 N C -1.192 174.327 175.510 0.015 0.000 1.169 628 N CA 0.091 53.148 53.050 0.012 0.000 0.947 628 N CB 0.864 39.350 38.487 -0.001 0.000 1.061 628 N HN 0.706 nan 8.380 nan 0.000 0.466 629 D N 3.478 123.891 120.400 0.022 0.000 2.461 629 D HA 0.170 4.810 4.640 0.001 0.000 0.240 629 D C -0.606 175.709 176.300 0.024 0.000 1.094 629 D CA -0.168 53.849 54.000 0.028 0.000 0.868 629 D CB 0.555 41.379 40.800 0.040 0.000 1.062 629 D HN 0.562 nan 8.370 nan 0.000 0.530 630 E N 1.861 122.074 120.200 0.021 0.000 2.609 630 E HA 0.026 4.376 4.350 0.001 0.000 0.208 630 E C 1.227 177.844 176.600 0.028 0.000 1.013 630 E CA -0.169 56.243 56.400 0.020 0.000 1.093 630 E CB 0.835 30.544 29.700 0.014 0.000 1.129 630 E HN 0.278 nan 8.360 nan 0.000 0.450 631 S N 0.194 115.915 115.700 0.035 0.000 2.343 631 S HA -0.078 4.392 4.470 0.001 0.000 0.219 631 S C 1.101 175.721 174.600 0.033 0.000 1.033 631 S CA 0.711 58.936 58.200 0.042 0.000 1.014 631 S CB 0.134 63.366 63.200 0.053 0.000 0.915 631 S HN 0.102 nan 8.310 nan 0.000 0.435 632 V N 3.451 123.382 119.914 0.028 0.000 2.555 632 V HA 0.213 4.333 4.120 0.001 0.000 0.286 632 V C 0.151 176.255 176.094 0.017 0.000 1.044 632 V CA -0.560 61.752 62.300 0.020 0.000 1.026 632 V CB 1.057 32.891 31.823 0.019 0.000 0.981 632 V HN 0.354 nan 8.190 nan 0.000 0.480 633 V N 5.955 125.877 119.914 0.013 0.000 2.644 633 V HA 0.321 4.441 4.120 0.001 0.000 0.305 633 V C 1.625 177.725 176.094 0.010 0.000 1.053 633 V CA 1.494 63.801 62.300 0.012 0.000 1.186 633 V CB -0.420 31.408 31.823 0.008 0.000 0.895 633 V HN 1.289 nan 8.190 nan 0.000 0.490 634 G N 3.577 112.383 108.800 0.010 0.000 4.039 634 G HA2 -0.272 3.689 3.960 0.001 0.000 0.220 634 G HA3 -0.272 3.689 3.960 0.001 0.000 0.220 634 G C 0.332 175.237 174.900 0.009 0.000 1.391 634 G CA 0.104 45.209 45.100 0.008 0.000 0.920 634 G HN 0.968 nan 8.290 nan 0.000 0.599 635 V N 2.063 121.983 119.914 0.010 0.000 2.901 635 V HA 0.428 4.548 4.120 0.001 0.000 0.307 635 V C 0.907 177.009 176.094 0.013 0.000 1.084 635 V CA 1.247 63.554 62.300 0.011 0.000 1.184 635 V CB 1.370 33.201 31.823 0.013 0.000 0.941 635 V HN 0.748 nan 8.190 nan 0.000 0.493 636 R N 2.839 123.346 120.500 0.012 0.000 2.631 636 R HA 0.634 4.974 4.340 0.001 0.000 0.289 636 R C -0.739 175.569 176.300 0.013 0.000 1.303 636 R CA -0.109 55.998 56.100 0.012 0.000 0.989 636 R CB 1.245 31.550 30.300 0.009 0.000 1.208 636 R HN 0.877 nan 8.270 nan 0.000 0.461 637 A N 2.366 125.196 122.820 0.017 0.000 2.389 637 A HA 0.897 5.217 4.320 0.001 0.000 0.293 637 A C -1.119 176.478 177.584 0.021 0.000 1.186 637 A CA -0.569 51.479 52.037 0.018 0.000 0.828 637 A CB 1.688 20.701 19.000 0.020 0.000 1.369 637 A HN 0.689 nan 8.150 nan 0.000 0.446 638 A N 0.559 123.392 122.820 0.022 0.000 2.277 638 A HA 0.607 4.928 4.320 0.001 0.000 0.318 638 A C 0.051 177.654 177.584 0.032 0.000 1.339 638 A CA -0.465 51.588 52.037 0.026 0.000 0.875 638 A CB 0.045 19.058 19.000 0.022 0.000 1.158 638 A HN 0.741 nan 8.150 nan 0.000 0.514 639 R N 3.353 123.878 120.500 0.043 0.000 2.297 639 R HA 0.470 4.810 4.340 0.001 0.000 0.308 639 R C -2.887 173.447 176.300 0.056 0.000 1.029 639 R CA -1.720 54.410 56.100 0.051 0.000 0.929 639 R CB 0.909 31.248 30.300 0.066 0.000 1.046 639 R HN 0.326 nan 8.270 nan 0.000 0.461 640 P HA 0.147 nan 4.420 nan 0.000 0.276 640 P C -0.895 176.430 177.300 0.042 0.000 1.230 640 P CA -0.092 63.032 63.100 0.039 0.000 0.776 640 P CB 0.698 32.411 31.700 0.022 0.000 0.888 641 I N -0.996 119.604 120.570 0.049 0.000 2.892 641 I HA 0.668 4.839 4.170 0.001 0.000 0.306 641 I C 0.123 176.249 176.117 0.014 0.000 1.078 641 I CA -1.153 60.168 61.300 0.035 0.000 1.032 641 I CB 2.280 40.341 38.000 0.101 0.000 1.229 641 I HN 0.226 nan 8.210 nan 0.000 0.435 642 S N 2.356 118.043 115.700 -0.022 0.000 2.641 642 S HA 0.409 4.879 4.470 0.001 0.000 0.261 642 S C 1.187 175.802 174.600 0.024 0.000 1.257 642 S CA -0.053 58.140 58.200 -0.012 0.000 0.983 642 S CB 1.025 64.202 63.200 -0.038 0.000 0.990 642 S HN 1.005 nan 8.310 nan 0.000 0.572 643 G N 0.124 108.958 108.800 0.057 0.000 2.421 643 G HA2 -0.205 3.756 3.960 0.001 0.000 0.216 643 G HA3 -0.205 3.756 3.960 0.001 0.000 0.216 643 G C 1.325 176.275 174.900 0.082 0.000 1.171 643 G CA 0.992 46.132 45.100 0.067 0.000 0.775 643 G HN 0.715 nan 8.290 nan 0.000 0.543 644 M N 0.061 119.726 119.600 0.107 0.000 2.065 644 M HA -0.166 4.315 4.480 0.001 0.000 0.259 644 M C 2.798 179.108 176.300 0.016 0.000 1.069 644 M CA 1.895 57.204 55.300 0.015 0.000 1.110 644 M CB -0.187 32.322 32.600 -0.151 0.000 1.328 644 M HN 0.283 nan 8.290 nan 0.000 0.405 645 Q N -0.315 119.469 119.800 -0.027 0.000 2.124 645 Q HA -0.216 4.124 4.340 0.001 0.000 0.202 645 Q C 1.856 177.935 176.000 0.132 0.000 0.977 645 Q CA 1.635 57.407 55.803 -0.050 0.000 0.850 645 Q CB -0.402 28.176 28.738 -0.266 0.000 0.901 645 Q HN 0.559 nan 8.270 nan 0.000 0.429 646 N N 0.644 119.408 118.700 0.107 0.000 2.149 646 N HA -0.152 4.588 4.740 0.001 0.000 0.188 646 N C 1.552 177.181 175.510 0.198 0.000 1.019 646 N CA 1.402 54.550 53.050 0.163 0.000 0.857 646 N CB -0.032 38.498 38.487 0.071 0.000 0.997 646 N HN 0.216 nan 8.380 nan 0.000 0.426 647 M N -0.282 119.373 119.600 0.091 0.000 2.059 647 M HA -0.144 4.336 4.480 0.001 0.000 0.259 647 M C 1.876 178.282 176.300 0.176 0.000 1.072 647 M CA 1.128 56.492 55.300 0.106 0.000 1.117 647 M CB -0.281 32.379 32.600 0.100 0.000 1.320 647 M HN 0.090 nan 8.290 nan 0.000 0.408 648 I N 0.400 121.069 120.570 0.165 0.000 2.194 648 I HA -0.312 3.858 4.170 0.001 0.000 0.246 648 I C 2.476 178.693 176.117 0.168 0.000 1.093 648 I CA 1.754 63.153 61.300 0.164 0.000 1.355 648 I CB -1.249 36.875 38.000 0.206 0.000 1.046 648 I HN 0.409 nan 8.210 nan 0.000 0.413 649 Q N 0.558 120.488 119.800 0.217 0.000 2.030 649 Q HA -0.239 4.101 4.340 0.001 0.000 0.204 649 Q C 2.266 178.300 176.000 0.056 0.000 0.986 649 Q CA 2.008 57.891 55.803 0.134 0.000 0.843 649 Q CB -0.321 28.517 28.738 0.165 0.000 0.904 649 Q HN 0.552 nan 8.270 nan 0.000 0.420 650 H N -1.149 117.977 119.070 0.094 0.000 2.423 650 H HA -0.042 4.514 4.556 0.001 0.000 0.297 650 H C 1.523 176.851 175.328 0.000 0.000 1.075 650 H CA 1.241 57.337 56.048 0.080 0.000 1.342 650 H CB -0.029 29.858 29.762 0.207 0.000 1.395 650 H HN 0.233 nan 8.280 nan 0.000 0.530 651 L N -0.109 121.165 121.223 0.084 0.000 2.093 651 L HA -0.126 4.214 4.340 0.001 0.000 0.208 651 L C 2.083 178.807 176.870 -0.244 0.000 1.085 651 L CA 1.389 56.151 54.840 -0.130 0.000 0.755 651 L CB -0.511 41.439 42.059 -0.181 0.000 0.904 651 L HN 0.063 nan 8.230 nan 0.000 0.435 652 S N -0.526 115.126 115.700 -0.079 0.000 2.383 652 S HA -0.244 4.227 4.470 0.001 0.000 0.229 652 S C 1.961 176.435 174.600 -0.210 0.000 1.030 652 S CA 1.563 59.775 58.200 0.019 0.000 1.002 652 S CB -0.311 62.974 63.200 0.141 0.000 0.829 652 S HN 0.443 nan 8.310 nan 0.000 0.467 653 K N 0.704 120.987 120.400 -0.196 0.000 2.057 653 K HA -0.086 4.235 4.320 0.001 0.000 0.207 653 K C 2.118 178.565 176.600 -0.254 0.000 1.049 653 K CA 1.077 57.214 56.287 -0.251 0.000 0.931 653 K CB -0.234 32.151 32.500 -0.191 0.000 0.714 653 K HN 0.250 nan 8.250 nan 0.000 0.440 654 L N 0.161 121.276 121.223 -0.179 0.000 2.005 654 L HA -0.150 4.191 4.340 0.001 0.000 0.207 654 L C 1.982 178.716 176.870 -0.226 0.000 1.072 654 L CA 1.692 56.419 54.840 -0.188 0.000 0.744 654 L CB -0.814 41.203 42.059 -0.069 0.000 0.895 654 L HN 0.185 nan 8.230 nan 0.000 0.433 655 Y N 0.691 120.881 120.300 -0.183 0.000 2.165 655 Y HA -0.269 4.281 4.550 0.001 0.000 0.286 655 Y C 2.775 178.543 175.900 -0.220 0.000 1.155 655 Y CA 1.662 59.736 58.100 -0.044 0.000 1.164 655 Y CB -0.920 37.765 38.460 0.376 0.000 0.978 655 Y HN 0.379 nan 8.280 nan 0.000 0.513 656 K N 0.382 120.514 120.400 -0.447 0.000 2.057 656 K HA -0.172 4.149 4.320 0.001 0.000 0.206 656 K C 2.439 178.704 176.600 -0.558 0.000 1.050 656 K CA 1.187 56.866 56.287 -1.013 0.000 0.935 656 K CB -0.046 31.531 32.500 -1.538 0.000 0.715 656 K HN 0.127 nan 8.250 nan 0.000 0.439 657 R N -0.253 119.988 120.500 -0.433 0.000 2.066 657 R HA -0.033 4.307 4.340 0.001 0.000 0.232 657 R C 0.240 176.355 176.300 -0.307 0.000 1.131 657 R CA 1.472 57.374 56.100 -0.329 0.000 0.955 657 R CB -0.080 30.048 30.300 -0.287 0.000 0.851 657 R HN 0.393 nan 8.270 nan 0.000 0.432 658 G N -1.855 106.677 108.800 -0.445 0.000 2.423 658 G HA2 -0.044 3.916 3.960 0.001 0.000 0.684 658 G HA3 -0.044 3.916 3.960 0.001 0.000 0.684 658 G C -1.111 173.362 174.900 -0.711 0.000 1.309 658 G CA -0.622 44.197 45.100 -0.469 0.000 0.950 658 G HN 0.115 nan 8.290 nan 0.000 0.587 659 F N 0.178 120.014 119.950 -0.190 0.000 2.470 659 F HA 0.749 5.277 4.527 0.001 0.000 0.329 659 F C 0.852 176.344 175.800 -0.513 0.000 1.072 659 F CA -0.678 57.095 58.000 -0.378 0.000 0.989 659 F CB 2.598 41.260 39.000 -0.562 0.000 1.193 659 F HN 0.353 nan 8.300 nan 0.000 0.481 660 S N 1.545 117.080 115.700 -0.275 0.000 2.594 660 S HA 0.420 4.890 4.470 0.001 0.000 0.322 660 S C -1.461 173.039 174.600 -0.167 0.000 1.085 660 S CA -0.498 57.573 58.200 -0.215 0.000 1.116 660 S CB -0.068 63.077 63.200 -0.092 0.000 0.979 660 S HN 0.289 nan 8.310 nan 0.000 0.465 661 Y N 2.346 122.654 120.300 0.013 0.000 2.383 661 Y HA 0.351 4.901 4.550 0.001 0.000 0.344 661 Y C 1.021 176.851 175.900 -0.116 0.000 0.986 661 Y CA -1.112 56.938 58.100 -0.084 0.000 1.175 661 Y CB 0.455 38.789 38.460 -0.210 0.000 1.152 661 Y HN 0.372 nan 8.280 nan 0.000 0.511 662 R N 2.821 123.346 120.500 0.042 0.000 2.210 662 R HA 0.404 4.745 4.340 0.001 0.000 0.338 662 R C -1.054 175.134 176.300 -0.186 0.000 1.062 662 R CA -0.527 55.527 56.100 -0.076 0.000 0.902 662 R CB 0.628 30.901 30.300 -0.044 0.000 1.050 662 R HN 0.345 nan 8.270 nan 0.000 0.461 663 V N 4.188 123.863 119.914 -0.398 0.000 2.350 663 V HA 0.147 4.267 4.120 0.001 0.000 0.276 663 V C 0.201 176.069 176.094 -0.377 0.000 1.028 663 V CA -0.631 61.363 62.300 -0.509 0.000 0.860 663 V CB 1.280 32.462 31.823 -1.068 0.000 0.990 663 V HN 0.692 nan 8.190 nan 0.000 0.453 664 N N 3.264 121.841 118.700 -0.206 0.000 2.976 664 N HA 0.141 4.881 4.740 0.001 0.000 0.255 664 N C -0.559 174.898 175.510 -0.088 0.000 1.312 664 N CA -0.335 52.640 53.050 -0.125 0.000 0.897 664 N CB 0.890 39.315 38.487 -0.103 0.000 1.184 664 N HN 0.646 nan 8.380 nan 0.000 0.497 665 D N 0.662 121.040 120.400 -0.037 0.000 2.346 665 D HA -0.011 4.630 4.640 0.001 0.000 0.267 665 D C 1.038 177.314 176.300 -0.040 0.000 1.320 665 D CA 0.452 54.465 54.000 0.022 0.000 0.951 665 D CB 0.726 41.604 40.800 0.131 0.000 1.079 665 D HN 0.174 nan 8.370 nan 0.000 0.509 666 S N 2.785 118.376 115.700 -0.182 0.000 2.423 666 S HA -0.108 4.362 4.470 0.001 0.000 0.231 666 S C 1.461 175.837 174.600 -0.373 0.000 1.014 666 S CA 0.608 58.604 58.200 -0.341 0.000 0.965 666 S CB -0.058 62.811 63.200 -0.552 0.000 0.785 666 S HN 0.462 nan 8.310 nan 0.000 0.495 667 F N 1.223 121.178 119.950 0.009 0.000 2.664 667 F HA 0.327 4.855 4.527 0.001 0.000 0.296 667 F C 0.947 176.754 175.800 0.011 0.000 1.125 667 F CA -0.007 57.999 58.000 0.010 0.000 1.444 667 F CB 0.120 39.133 39.000 0.021 0.000 1.114 667 F HN -0.043 nan 8.300 nan 0.000 0.576 668 S N 1.522 117.318 115.700 0.161 0.000 2.577 668 S HA 0.348 4.819 4.470 0.001 0.000 0.294 668 S C -2.607 172.034 174.600 0.068 0.000 1.161 668 S CA -1.378 56.889 58.200 0.112 0.000 1.143 668 S CB 0.905 64.186 63.200 0.136 0.000 0.991 668 S HN -0.224 nan 8.310 nan 0.000 0.475 669 P HA 0.177 nan 4.420 nan 0.000 0.262 669 P C 1.058 178.380 177.300 0.037 0.000 1.182 669 P CA 0.996 64.111 63.100 0.026 0.000 0.761 669 P CB 0.218 31.928 31.700 0.016 0.000 0.795 670 G N 2.599 111.423 108.800 0.040 0.000 2.179 670 G HA2 -0.268 3.692 3.960 0.001 0.000 0.260 670 G HA3 -0.268 3.692 3.960 0.001 0.000 0.260 670 G C 0.148 175.100 174.900 0.086 0.000 0.977 670 G CA -0.364 44.766 45.100 0.051 0.000 0.641 670 G HN 0.640 nan 8.290 nan 0.000 0.533 671 N N 1.855 120.624 118.700 0.115 0.000 3.234 671 N HA 0.266 5.006 4.740 0.001 0.000 0.272 671 N C -1.390 174.286 175.510 0.276 0.000 1.254 671 N CA -0.293 52.891 53.050 0.222 0.000 1.087 671 N CB 0.451 39.074 38.487 0.226 0.000 1.356 671 N HN 0.240 nan 8.380 nan 0.000 0.511 672 D N 2.352 122.909 120.400 0.261 0.000 2.481 672 D HA 0.324 4.964 4.640 0.001 0.000 0.246 672 D C -0.608 175.853 176.300 0.268 0.000 1.109 672 D CA -0.128 53.957 54.000 0.142 0.000 0.845 672 D CB 1.435 42.272 40.800 0.062 0.000 1.160 672 D HN 0.301 nan 8.370 nan 0.000 0.534 673 F N -1.664 118.307 119.950 0.036 0.000 2.719 673 F HA 0.457 4.985 4.527 0.001 0.000 0.309 673 F C -1.002 174.839 175.800 0.068 0.000 1.138 673 F CA -0.956 57.074 58.000 0.050 0.000 0.943 673 F CB 1.240 40.278 39.000 0.064 0.000 1.304 673 F HN -0.121 nan 8.300 nan 0.000 0.445 674 T N 1.584 116.247 114.554 0.182 0.000 2.829 674 T HA 0.284 4.635 4.350 0.001 0.000 0.282 674 T C -1.440 173.423 174.700 0.270 0.000 0.990 674 T CA -0.285 61.880 62.100 0.107 0.000 1.028 674 T CB 0.466 69.374 68.868 0.066 0.000 0.951 674 T HN 0.727 nan 8.240 nan 0.000 0.460 675 H N 3.264 122.404 119.070 0.116 0.000 2.547 675 H HA 0.510 5.066 4.556 0.001 0.000 0.342 675 H C -1.135 174.221 175.328 0.047 0.000 1.048 675 H CA -0.884 55.269 56.048 0.176 0.000 1.204 675 H CB 1.464 31.388 29.762 0.271 0.000 1.493 675 H HN 0.443 nan 8.280 nan 0.000 0.511 676 M N 4.213 123.639 119.600 -0.291 0.000 2.209 676 M HA 0.295 4.776 4.480 0.001 0.000 0.355 676 M C -0.754 175.425 176.300 -0.202 0.000 1.171 676 M CA 0.103 55.277 55.300 -0.210 0.000 1.069 676 M CB 1.107 33.612 32.600 -0.158 0.000 1.622 676 M HN 0.624 nan 8.290 nan 0.000 0.459 677 T N 1.078 115.621 114.554 -0.019 0.000 2.792 677 T HA 0.496 4.846 4.350 0.001 0.000 0.303 677 T C 0.446 175.284 174.700 0.229 0.000 1.310 677 T CA 0.052 62.261 62.100 0.180 0.000 1.007 677 T CB 1.064 70.228 68.868 0.493 0.000 1.335 677 T HN 0.774 nan 8.240 nan 0.000 0.504 678 T N -0.652 114.076 114.554 0.292 0.000 3.060 678 T HA 0.223 4.573 4.350 0.001 0.000 0.249 678 T C 0.736 175.722 174.700 0.477 0.000 1.079 678 T CA 0.040 62.337 62.100 0.329 0.000 1.013 678 T CB -0.376 68.651 68.868 0.267 0.000 0.975 678 T HN 0.573 nan 8.240 nan 0.000 0.518 679 T N 3.478 118.337 114.554 0.508 0.000 2.867 679 T HA 0.246 4.597 4.350 0.001 0.000 0.297 679 T C -0.291 174.714 174.700 0.508 0.000 0.989 679 T CA -0.399 62.008 62.100 0.512 0.000 1.159 679 T CB -0.200 69.019 68.868 0.586 0.000 0.928 679 T HN 0.307 nan 8.240 nan 0.000 0.538 680 F N 5.598 125.702 119.950 0.258 0.000 2.553 680 F HA 0.252 4.780 4.527 0.001 0.000 0.356 680 F C -1.816 173.942 175.800 -0.070 0.000 1.142 680 F CA -1.847 56.192 58.000 0.066 0.000 1.322 680 F CB 0.389 39.483 39.000 0.157 0.000 1.126 680 F HN 0.376 nan 8.300 nan 0.000 0.599 681 P HA 0.073 nan 4.420 nan 0.000 0.271 681 P C -0.251 176.985 177.300 -0.107 0.000 1.216 681 P CA 0.101 62.896 63.100 -0.509 0.000 0.771 681 P CB 0.953 32.216 31.700 -0.728 0.000 0.864 682 S N 1.254 116.940 115.700 -0.024 0.000 2.486 682 S HA 0.073 4.544 4.470 0.001 0.000 0.220 682 S C 1.528 176.130 174.600 0.004 0.000 1.011 682 S CA 0.517 58.736 58.200 0.032 0.000 0.921 682 S CB -0.634 62.581 63.200 0.025 0.000 0.785 682 S HN 0.494 nan 8.310 nan 0.000 0.517 683 G N 1.429 110.213 108.800 -0.026 0.000 3.678 683 G HA2 0.409 4.369 3.960 0.001 0.000 0.287 683 G HA3 0.409 4.369 3.960 0.001 0.000 0.287 683 G C -0.122 174.780 174.900 0.003 0.000 1.280 683 G CA -0.216 44.877 45.100 -0.011 0.000 1.118 683 G HN 0.472 nan 8.290 nan 0.000 0.563 684 S N -0.652 115.064 115.700 0.027 0.000 2.608 684 S HA 0.394 4.864 4.470 0.001 0.000 0.291 684 S C 1.887 176.545 174.600 0.097 0.000 1.146 684 S CA 0.328 58.568 58.200 0.066 0.000 1.043 684 S CB 1.330 64.599 63.200 0.115 0.000 1.037 684 S HN 0.345 nan 8.310 nan 0.000 0.520 685 T N 1.291 115.915 114.554 0.118 0.000 3.051 685 T HA 0.047 4.397 4.350 0.001 0.000 0.269 685 T C 1.475 176.250 174.700 0.125 0.000 1.127 685 T CA 0.960 63.142 62.100 0.137 0.000 1.107 685 T CB -0.347 68.639 68.868 0.197 0.000 0.898 685 T HN 0.672 nan 8.240 nan 0.000 0.517 686 A N 1.120 124.017 122.820 0.129 0.000 2.063 686 A HA 0.232 4.553 4.320 0.001 0.000 0.211 686 A C 2.376 179.957 177.584 -0.005 0.000 1.177 686 A CA 0.995 53.067 52.037 0.058 0.000 0.759 686 A CB -0.935 18.030 19.000 -0.058 0.000 0.857 686 A HN 0.475 nan 8.150 nan 0.000 0.468 687 T N 0.339 114.936 114.554 0.071 0.000 2.427 687 T HA -0.306 4.045 4.350 0.001 0.000 0.244 687 T C 2.180 176.629 174.700 -0.419 0.000 1.325 687 T CA 2.479 64.500 62.100 -0.132 0.000 1.173 687 T CB -0.801 68.053 68.868 -0.023 0.000 0.859 687 T HN 0.523 nan 8.240 nan 0.000 0.415 688 S N -0.221 115.362 115.700 -0.196 0.000 2.353 688 S HA -0.190 4.280 4.470 0.001 0.000 0.222 688 S C 2.340 176.928 174.600 -0.021 0.000 1.035 688 S CA 2.399 60.525 58.200 -0.122 0.000 1.025 688 S CB -0.985 62.196 63.200 -0.032 0.000 0.902 688 S HN 0.639 nan 8.310 nan 0.000 0.440 689 T N 0.849 115.423 114.554 0.033 0.000 2.833 689 T HA -0.087 4.264 4.350 0.001 0.000 0.269 689 T C 1.835 176.637 174.700 0.171 0.000 1.054 689 T CA 1.644 63.808 62.100 0.107 0.000 1.135 689 T CB -0.525 68.420 68.868 0.129 0.000 0.869 689 T HN 0.433 nan 8.240 nan 0.000 0.466 690 E N 0.137 120.425 120.200 0.146 0.000 2.047 690 E HA -0.142 4.209 4.350 0.001 0.000 0.191 690 E C 2.001 178.839 176.600 0.396 0.000 0.987 690 E CA 1.373 57.950 56.400 0.296 0.000 0.799 690 E CB -0.336 29.359 29.700 -0.009 0.000 0.752 690 E HN 0.615 nan 8.360 nan 0.000 0.449 691 H N -0.122 118.983 119.070 0.058 0.000 2.389 691 H HA -0.005 4.551 4.556 0.001 0.000 0.299 691 H C 2.161 177.562 175.328 0.122 0.000 1.081 691 H CA 1.737 57.803 56.048 0.031 0.000 1.345 691 H CB -0.699 29.028 29.762 -0.058 0.000 1.393 691 H HN 0.139 nan 8.280 nan 0.000 0.520 692 T N 0.420 115.129 114.554 0.257 0.000 2.708 692 T HA -0.112 4.238 4.350 0.001 0.000 0.266 692 T C 2.332 177.181 174.700 0.249 0.000 1.037 692 T CA 1.371 63.602 62.100 0.217 0.000 1.146 692 T CB -0.429 68.537 68.868 0.163 0.000 0.865 692 T HN 0.473 nan 8.240 nan 0.000 0.435 693 A N 2.276 125.246 122.820 0.249 0.000 1.930 693 A HA -0.122 4.198 4.320 0.001 0.000 0.217 693 A C 2.271 180.046 177.584 0.318 0.000 1.175 693 A CA 1.315 53.464 52.037 0.187 0.000 0.627 693 A CB -0.507 18.491 19.000 -0.005 0.000 0.815 693 A HN 0.389 nan 8.150 nan 0.000 0.443 694 N N 0.309 119.307 118.700 0.497 0.000 2.216 694 N HA -0.140 4.600 4.740 0.001 0.000 0.183 694 N C 1.659 177.550 175.510 0.636 0.000 1.017 694 N CA 1.051 54.453 53.050 0.587 0.000 0.861 694 N CB -0.533 38.220 38.487 0.443 0.000 0.986 694 N HN 0.529 nan 8.380 nan 0.000 0.428 695 N N 1.623 120.672 118.700 0.583 0.000 2.018 695 N HA -0.157 4.583 4.740 0.001 0.000 0.196 695 N C 1.760 177.624 175.510 0.590 0.000 1.043 695 N CA 2.086 55.509 53.050 0.622 0.000 0.856 695 N CB -0.334 38.398 38.487 0.408 0.000 1.042 695 N HN 0.281 nan 8.380 nan 0.000 0.423 696 S N -1.038 114.948 115.700 0.477 0.000 2.383 696 S HA -0.077 4.394 4.470 0.001 0.000 0.227 696 S C 2.067 176.849 174.600 0.304 0.000 1.026 696 S CA 1.748 60.199 58.200 0.417 0.000 0.981 696 S CB -0.975 62.420 63.200 0.325 0.000 0.818 696 S HN 0.345 nan 8.310 nan 0.000 0.472 697 T N 2.803 117.532 114.554 0.293 0.000 2.746 697 T HA 0.024 4.374 4.350 0.001 0.000 0.267 697 T C 1.882 176.739 174.700 0.262 0.000 1.039 697 T CA 1.629 63.878 62.100 0.249 0.000 1.142 697 T CB -0.334 68.699 68.868 0.275 0.000 0.866 697 T HN 0.311 nan 8.240 nan 0.000 0.444 698 M N 0.203 119.993 119.600 0.317 0.000 2.200 698 M HA 0.158 4.638 4.480 0.001 0.000 0.265 698 M C 2.306 178.849 176.300 0.406 0.000 1.066 698 M CA 1.126 56.612 55.300 0.310 0.000 1.127 698 M CB -1.080 31.637 32.600 0.195 0.000 1.379 698 M HN 0.260 nan 8.290 nan 0.000 0.420 699 M N 0.799 120.586 119.600 0.312 0.000 2.175 699 M HA -0.114 4.366 4.480 0.001 0.000 0.264 699 M C 1.967 178.315 176.300 0.081 0.000 1.063 699 M CA 1.643 56.995 55.300 0.087 0.000 1.119 699 M CB -0.562 31.840 32.600 -0.329 0.000 1.377 699 M HN 0.174 nan 8.290 nan 0.000 0.415 700 E N -0.862 119.402 120.200 0.106 0.000 2.047 700 E HA -0.155 4.195 4.350 0.001 0.000 0.191 700 E C 1.710 178.324 176.600 0.024 0.000 0.987 700 E CA 1.872 58.312 56.400 0.067 0.000 0.799 700 E CB -0.230 29.523 29.700 0.089 0.000 0.752 700 E HN 0.506 nan 8.360 nan 0.000 0.449 701 T N 0.948 115.538 114.554 0.059 0.000 2.759 701 T HA -0.161 4.189 4.350 0.001 0.000 0.269 701 T C 1.511 176.154 174.700 -0.096 0.000 1.042 701 T CA 1.370 63.450 62.100 -0.033 0.000 1.140 701 T CB -0.450 68.483 68.868 0.109 0.000 0.864 701 T HN 0.251 nan 8.240 nan 0.000 0.455 702 F N 1.578 121.372 119.950 -0.260 0.000 2.113 702 F HA 0.056 4.583 4.527 0.001 0.000 0.297 702 F C 1.820 177.493 175.800 -0.211 0.000 1.103 702 F CA 1.103 58.803 58.000 -0.501 0.000 1.248 702 F CB -0.407 38.113 39.000 -0.800 0.000 0.999 702 F HN 0.034 nan 8.300 nan 0.000 0.475 703 L N -0.494 120.593 121.223 -0.228 0.000 2.217 703 L HA -0.143 4.198 4.340 0.001 0.000 0.211 703 L C 2.142 178.861 176.870 -0.252 0.000 1.107 703 L CA 1.525 56.213 54.840 -0.254 0.000 0.783 703 L CB -0.879 41.161 42.059 -0.032 0.000 0.919 703 L HN 0.198 nan 8.230 nan 0.000 0.442 704 T N -1.472 112.957 114.554 -0.207 0.000 2.983 704 T HA 0.023 4.374 4.350 0.001 0.000 0.250 704 T C 1.690 176.261 174.700 -0.215 0.000 1.037 704 T CA 0.779 62.770 62.100 -0.181 0.000 1.142 704 T CB 0.401 69.180 68.868 -0.147 0.000 0.876 704 T HN 0.001 nan 8.240 nan 0.000 0.455 705 V N -1.082 118.678 119.914 -0.257 0.000 3.050 705 V HA 0.194 4.314 4.120 0.001 0.000 0.223 705 V C 1.770 177.798 176.094 -0.110 0.000 1.162 705 V CA -0.129 62.040 62.300 -0.219 0.000 1.247 705 V CB -0.820 30.768 31.823 -0.391 0.000 1.125 705 V HN 0.472 nan 8.190 nan 0.000 0.508 706 W N 1.688 122.859 121.300 -0.216 0.000 2.302 706 W HA -0.168 4.492 4.660 0.001 0.000 0.320 706 W C 2.333 178.789 176.519 -0.105 0.000 1.241 706 W CA 2.907 60.236 57.345 -0.027 0.000 1.264 706 W CB -0.800 28.673 29.460 0.021 0.000 1.154 706 W HN 0.350 nan 8.180 nan 0.000 0.483 707 G N 0.202 108.836 108.800 -0.276 0.000 2.587 707 G HA2 -0.293 3.668 3.960 0.001 0.000 0.217 707 G HA3 -0.293 3.668 3.960 0.001 0.000 0.217 707 G C -0.714 174.020 174.900 -0.276 0.000 1.240 707 G CA 1.744 46.544 45.100 -0.500 0.000 0.794 707 G HN 0.199 nan 8.290 nan 0.000 0.580 708 P HA -0.088 nan 4.420 nan 0.000 0.217 708 P C 1.422 178.596 177.300 -0.209 0.000 1.151 708 P CA 1.413 64.391 63.100 -0.203 0.000 0.849 708 P CB -0.053 31.536 31.700 -0.184 0.000 0.787 709 E N -2.330 117.710 120.200 -0.266 0.000 2.502 709 E HA -0.081 4.269 4.350 0.001 0.000 0.194 709 E C 0.865 177.084 176.600 -0.636 0.000 1.062 709 E CA 0.383 56.550 56.400 -0.388 0.000 0.867 709 E CB -0.215 29.243 29.700 -0.403 0.000 0.888 709 E HN 0.513 nan 8.360 nan 0.000 0.510 710 H N -0.662 118.168 119.070 -0.399 0.000 2.581 710 H HA 0.224 4.781 4.556 0.001 0.000 0.275 710 H C -0.093 175.108 175.328 -0.211 0.000 1.126 710 H CA 0.319 56.121 56.048 -0.410 0.000 1.097 710 H CB 1.230 30.528 29.762 -0.773 0.000 1.626 710 H HN -0.050 nan 8.280 nan 0.000 0.565 711 T N -0.583 113.908 114.554 -0.106 0.000 2.830 711 T HA 0.160 4.510 4.350 0.001 0.000 0.322 711 T C -0.805 173.853 174.700 -0.069 0.000 1.501 711 T CA -0.488 61.580 62.100 -0.053 0.000 1.036 711 T CB 1.845 70.709 68.868 -0.007 0.000 1.379 711 T HN -0.020 nan 8.240 nan 0.000 0.493 712 D N 0.936 121.307 120.400 -0.048 0.000 2.520 712 D HA 0.170 4.811 4.640 0.001 0.000 0.223 712 D C -0.257 176.025 176.300 -0.030 0.000 1.186 712 D CA -0.180 53.791 54.000 -0.047 0.000 0.821 712 D CB 0.511 41.283 40.800 -0.047 0.000 1.072 712 D HN 0.552 nan 8.370 nan 0.000 0.518 713 D N 1.673 122.062 120.400 -0.019 0.000 2.389 713 D HA -0.020 4.621 4.640 0.001 0.000 0.263 713 D C -1.506 174.787 176.300 -0.011 0.000 1.255 713 D CA -1.309 52.687 54.000 -0.007 0.000 0.914 713 D CB 1.864 42.668 40.800 0.007 0.000 1.116 713 D HN -0.028 nan 8.370 nan 0.000 0.502 714 P HA -0.157 nan 4.420 nan 0.000 0.216 714 P C 0.832 178.126 177.300 -0.010 0.000 1.157 714 P CA 1.008 64.099 63.100 -0.014 0.000 0.880 714 P CB 0.338 32.031 31.700 -0.011 0.000 0.791 715 D N -0.892 119.507 120.400 -0.002 0.000 2.097 715 D HA -0.097 4.543 4.640 0.001 0.000 0.195 715 D C 2.022 178.324 176.300 0.004 0.000 0.989 715 D CA 1.138 55.140 54.000 0.003 0.000 0.827 715 D CB -0.752 40.054 40.800 0.010 0.000 0.966 715 D HN 0.012 nan 8.370 nan 0.000 0.456 716 V N 1.426 121.344 119.914 0.008 0.000 2.407 716 V HA -0.194 3.926 4.120 0.001 0.000 0.248 716 V C 2.648 178.739 176.094 -0.005 0.000 1.055 716 V CA 1.013 63.322 62.300 0.015 0.000 1.049 716 V CB -0.452 31.390 31.823 0.030 0.000 0.662 716 V HN 0.166 nan 8.190 nan 0.000 0.455 717 L N -0.826 120.385 121.223 -0.020 0.000 2.141 717 L HA -0.116 4.225 4.340 0.001 0.000 0.209 717 L C 2.817 179.666 176.870 -0.035 0.000 1.094 717 L CA 1.418 56.233 54.840 -0.041 0.000 0.763 717 L CB -0.484 41.547 42.059 -0.046 0.000 0.908 717 L HN 0.231 nan 8.230 nan 0.000 0.437 718 R N -0.457 120.030 120.500 -0.021 0.000 2.062 718 R HA -0.160 4.181 4.340 0.001 0.000 0.231 718 R C 2.199 178.491 176.300 -0.013 0.000 1.136 718 R CA 1.198 57.287 56.100 -0.017 0.000 0.948 718 R CB -0.603 29.691 30.300 -0.011 0.000 0.845 718 R HN 0.155 nan 8.270 nan 0.000 0.430 719 L N 1.217 122.437 121.223 -0.005 0.000 1.971 719 L HA -0.229 4.112 4.340 0.001 0.000 0.215 719 L C 2.312 179.182 176.870 0.000 0.000 1.072 719 L CA 1.827 56.667 54.840 0.001 0.000 0.758 719 L CB -0.579 41.484 42.059 0.007 0.000 0.889 719 L HN 0.158 nan 8.230 nan 0.000 0.433 720 M N -0.740 118.857 119.600 -0.005 0.000 2.088 720 M HA -0.334 4.146 4.480 0.001 0.000 0.256 720 M C 2.396 178.673 176.300 -0.038 0.000 1.071 720 M CA 2.378 57.664 55.300 -0.023 0.000 1.097 720 M CB -0.343 32.208 32.600 -0.082 0.000 1.315 720 M HN 0.224 nan 8.290 nan 0.000 0.406 721 K N -0.412 119.962 120.400 -0.045 0.000 2.152 721 K HA -0.159 4.161 4.320 0.001 0.000 0.206 721 K C 1.686 178.269 176.600 -0.028 0.000 1.048 721 K CA 1.702 57.963 56.287 -0.043 0.000 0.933 721 K CB -0.112 32.362 32.500 -0.042 0.000 0.721 721 K HN 0.483 nan 8.250 nan 0.000 0.447 722 S N -0.110 115.580 115.700 -0.017 0.000 2.607 722 S HA 0.081 4.551 4.470 0.001 0.000 0.224 722 S C 0.543 175.142 174.600 -0.001 0.000 0.969 722 S CA -0.213 57.981 58.200 -0.009 0.000 0.927 722 S CB -0.208 62.992 63.200 -0.001 0.000 0.772 722 S HN 0.105 nan 8.310 nan 0.000 0.533 723 L N 0.994 122.218 121.223 0.001 0.000 2.334 723 L HA 0.649 4.989 4.340 0.001 0.000 0.273 723 L C -0.253 176.621 176.870 0.007 0.000 1.013 723 L CA -0.446 54.404 54.840 0.017 0.000 0.816 723 L CB 2.148 44.227 42.059 0.034 0.000 1.278 723 L HN -0.006 nan 8.230 nan 0.000 0.431 724 T N 1.330 115.895 114.554 0.017 0.000 2.956 724 T HA 0.318 4.668 4.350 0.001 0.000 0.312 724 T C 0.871 175.601 174.700 0.050 0.000 1.151 724 T CA -0.528 61.579 62.100 0.011 0.000 1.024 724 T CB 1.743 70.598 68.868 -0.021 0.000 1.140 724 T HN 0.587 nan 8.240 nan 0.000 0.473 725 I N 0.442 121.055 120.570 0.071 0.000 3.083 725 I HA 0.000 4.171 4.170 0.001 0.000 0.273 725 I C 1.550 177.727 176.117 0.100 0.000 1.297 725 I CA 1.079 62.470 61.300 0.151 0.000 1.452 725 I CB -0.234 37.868 38.000 0.170 0.000 1.078 725 I HN 0.499 nan 8.210 nan 0.000 0.484 726 Q N 0.649 120.459 119.800 0.017 0.000 2.408 726 Q HA 0.190 4.530 4.340 0.001 0.000 0.205 726 Q C 1.811 177.727 176.000 -0.139 0.000 0.919 726 Q CA 0.428 56.199 55.803 -0.053 0.000 0.932 726 Q CB 0.431 29.124 28.738 -0.076 0.000 1.058 726 Q HN 0.541 nan 8.270 nan 0.000 0.517 727 R N -1.218 119.211 120.500 -0.119 0.000 2.444 727 R HA 0.238 4.579 4.340 0.001 0.000 0.201 727 R C 0.910 177.134 176.300 -0.126 0.000 0.861 727 R CA 0.228 56.181 56.100 -0.244 0.000 1.034 727 R CB 0.558 30.721 30.300 -0.229 0.000 1.347 727 R HN 0.087 nan 8.270 nan 0.000 0.659 728 N N -0.266 118.457 118.700 0.039 0.000 2.184 728 N HA 0.021 4.762 4.740 0.001 0.000 0.206 728 N C -1.027 174.632 175.510 0.248 0.000 1.151 728 N CA 0.216 53.358 53.050 0.154 0.000 0.878 728 N CB 1.029 39.589 38.487 0.121 0.000 1.014 728 N HN 0.024 nan 8.380 nan 0.000 0.512 729 Y N 1.605 121.947 120.300 0.070 0.000 2.327 729 Y HA 0.344 4.895 4.550 0.001 0.000 0.325 729 Y C -1.040 174.906 175.900 0.076 0.000 0.999 729 Y CA -0.844 57.292 58.100 0.060 0.000 1.195 729 Y CB 0.939 39.435 38.460 0.060 0.000 1.132 729 Y HN -0.335 nan 8.280 nan 0.000 0.455 730 V N 6.117 125.796 119.914 -0.391 0.000 2.398 730 V HA 0.560 4.681 4.120 0.001 0.000 0.286 730 V C -0.187 175.572 176.094 -0.558 0.000 1.026 730 V CA -0.652 61.455 62.300 -0.321 0.000 0.868 730 V CB 0.700 32.355 31.823 -0.280 0.000 0.982 730 V HN 0.955 nan 8.190 nan 0.000 0.443 731 C N 3.236 122.399 119.300 -0.230 0.000 3.090 731 C HA 0.904 5.364 4.460 0.001 0.000 0.305 731 C C -0.888 174.188 174.990 0.144 0.000 1.292 731 C CA -0.730 58.248 59.018 -0.067 0.000 1.482 731 C CB 1.533 29.188 27.740 -0.141 0.000 1.897 731 C HN 0.937 nan 8.230 nan 0.000 0.469 732 Q N 1.158 121.060 119.800 0.170 0.000 2.280 732 Q HA 0.504 4.844 4.340 0.001 0.000 0.259 732 Q C 0.547 176.600 176.000 0.088 0.000 0.964 732 Q CA 0.667 56.536 55.803 0.110 0.000 0.844 732 Q CB 1.643 30.407 28.738 0.043 0.000 1.334 732 Q HN 2.239 nan 8.270 nan 0.000 0.423 733 G N 4.151 113.011 108.800 0.101 0.000 2.629 733 G HA2 -0.409 3.552 3.960 0.001 0.000 0.313 733 G HA3 -0.409 3.552 3.960 0.001 0.000 0.313 733 G C 0.206 175.164 174.900 0.098 0.000 1.217 733 G CA 0.830 45.995 45.100 0.109 0.000 0.994 733 G HN 0.898 nan 8.290 nan 0.000 0.549 734 D N 0.872 121.301 120.400 0.049 0.000 2.328 734 D HA 0.332 4.972 4.640 0.001 0.000 0.221 734 D C 0.344 176.663 176.300 0.031 0.000 1.072 734 D CA 0.669 54.656 54.000 -0.022 0.000 0.850 734 D CB 0.324 41.071 40.800 -0.087 0.000 0.922 734 D HN 0.369 nan 8.370 nan 0.000 0.516 735 D N -0.179 120.266 120.400 0.075 0.000 2.168 735 D HA 0.587 5.227 4.640 0.001 0.000 0.246 735 D C -0.306 176.110 176.300 0.193 0.000 1.050 735 D CA -0.538 53.537 54.000 0.125 0.000 0.857 735 D CB 1.563 42.414 40.800 0.085 0.000 1.169 735 D HN 0.131 nan 8.370 nan 0.000 0.453 736 G N 1.826 110.726 108.800 0.166 0.000 2.638 736 G HA2 0.533 4.493 3.960 0.001 0.000 0.302 736 G HA3 0.533 4.493 3.960 0.001 0.000 0.302 736 G C -1.893 172.968 174.900 -0.065 0.000 1.365 736 G CA -0.598 44.488 45.100 -0.023 0.000 0.987 736 G HN 0.427 nan 8.290 nan 0.000 0.495 737 L N 2.072 123.070 121.223 -0.376 0.000 2.372 737 L HA 0.761 5.101 4.340 0.001 0.000 0.274 737 L C -0.486 176.334 176.870 -0.084 0.000 0.988 737 L CA -1.018 53.669 54.840 -0.254 0.000 0.833 737 L CB 1.842 43.559 42.059 -0.569 0.000 1.236 737 L HN 0.517 nan 8.230 nan 0.000 0.410 738 M N 6.701 126.368 119.600 0.112 0.000 2.077 738 M HA 0.469 4.949 4.480 0.001 0.000 0.348 738 M C -1.172 175.192 176.300 0.108 0.000 1.252 738 M CA -0.022 55.397 55.300 0.198 0.000 1.096 738 M CB 0.151 32.831 32.600 0.133 0.000 1.568 738 M HN 0.458 nan 8.290 nan 0.000 0.456 739 I N 7.098 127.756 120.570 0.145 0.000 2.307 739 I HA 0.275 4.445 4.170 0.001 0.000 0.287 739 I C -0.522 175.689 176.117 0.156 0.000 1.054 739 I CA -0.231 61.167 61.300 0.162 0.000 1.218 739 I CB 0.166 38.337 38.000 0.285 0.000 1.398 739 I HN 0.598 nan 8.210 nan 0.000 0.475 740 I N 5.609 126.231 120.570 0.087 0.000 2.281 740 I HA 0.126 4.297 4.170 0.001 0.000 0.293 740 I C -0.028 176.124 176.117 0.057 0.000 1.085 740 I CA -0.491 60.845 61.300 0.060 0.000 1.257 740 I CB 0.152 38.156 38.000 0.007 0.000 1.430 740 I HN 0.449 nan 8.210 nan 0.000 0.489 741 D N 4.947 125.405 120.400 0.096 0.000 2.423 741 D HA 0.174 4.814 4.640 0.001 0.000 0.238 741 D C 0.582 176.898 176.300 0.027 0.000 1.142 741 D CA 0.364 54.410 54.000 0.076 0.000 0.884 741 D CB 1.251 42.136 40.800 0.143 0.000 1.199 741 D HN 0.613 nan 8.370 nan 0.000 0.438 742 G N -0.135 108.660 108.800 -0.008 0.000 2.606 742 G HA2 0.626 4.587 3.960 0.001 0.000 0.262 742 G HA3 0.626 4.587 3.960 0.001 0.000 0.262 742 G C -0.155 174.755 174.900 0.016 0.000 1.394 742 G CA -0.205 44.897 45.100 0.004 0.000 1.044 742 G HN 0.535 nan 8.290 nan 0.000 0.553 743 T N -5.306 109.264 114.554 0.025 0.000 2.669 743 T HA 0.446 4.796 4.350 0.001 0.000 0.283 743 T C 1.041 175.759 174.700 0.031 0.000 1.019 743 T CA 0.270 62.384 62.100 0.024 0.000 1.039 743 T CB 1.090 69.970 68.868 0.020 0.000 1.374 743 T HN 0.197 nan 8.240 nan 0.000 0.523 744 T N 0.910 115.478 114.554 0.023 0.000 2.951 744 T HA 0.162 4.512 4.350 0.001 0.000 0.268 744 T C 1.895 176.608 174.700 0.021 0.000 1.073 744 T CA 1.003 63.118 62.100 0.024 0.000 1.134 744 T CB -0.662 68.213 68.868 0.013 0.000 0.884 744 T HN 0.812 nan 8.240 nan 0.000 0.479 745 A N 0.719 123.548 122.820 0.016 0.000 2.261 745 A HA 0.564 4.884 4.320 0.001 0.000 0.208 745 A C 1.382 178.971 177.584 0.008 0.000 1.223 745 A CA 0.586 52.626 52.037 0.004 0.000 0.833 745 A CB -0.969 18.032 19.000 0.003 0.000 0.830 745 A HN 0.695 nan 8.150 nan 0.000 0.483 746 G N 0.119 108.945 108.800 0.042 0.000 2.512 746 G HA2 -0.147 3.814 3.960 0.001 0.000 0.210 746 G HA3 -0.147 3.814 3.960 0.001 0.000 0.210 746 G C -0.236 174.727 174.900 0.104 0.000 1.295 746 G CA -0.294 44.860 45.100 0.090 0.000 0.934 746 G HN 1.018 nan 8.290 nan 0.000 0.554 747 K N -0.514 119.964 120.400 0.129 0.000 2.118 747 K HA 0.720 5.041 4.320 0.001 0.000 0.264 747 K C 0.371 177.011 176.600 0.067 0.000 1.000 747 K CA -0.862 55.482 56.287 0.095 0.000 0.929 747 K CB 1.804 34.376 32.500 0.121 0.000 1.021 747 K HN 0.560 nan 8.250 nan 0.000 0.463 748 V N 1.937 121.882 119.914 0.052 0.000 2.788 748 V HA -0.132 3.989 4.120 0.001 0.000 0.307 748 V C 0.624 176.752 176.094 0.057 0.000 1.069 748 V CA -0.150 62.174 62.300 0.040 0.000 1.173 748 V CB -0.010 31.825 31.823 0.020 0.000 0.925 748 V HN 0.899 nan 8.190 nan 0.000 0.492 749 N N 2.880 121.609 118.700 0.049 0.000 2.359 749 N HA -0.066 4.675 4.740 0.001 0.000 0.261 749 N C 1.330 176.894 175.510 0.089 0.000 1.267 749 N CA 0.971 54.058 53.050 0.063 0.000 0.864 749 N CB 0.789 39.304 38.487 0.046 0.000 1.063 749 N HN 0.740 nan 8.380 nan 0.000 0.474 750 S N 2.708 118.494 115.700 0.144 0.000 2.368 750 S HA -0.202 4.268 4.470 0.001 0.000 0.225 750 S C 1.566 176.288 174.600 0.204 0.000 1.030 750 S CA 1.466 59.819 58.200 0.254 0.000 0.999 750 S CB -0.328 63.030 63.200 0.264 0.000 0.844 750 S HN 0.780 nan 8.310 nan 0.000 0.459 751 E N -0.463 119.815 120.200 0.129 0.000 2.110 751 E HA -0.122 4.228 4.350 0.001 0.000 0.193 751 E C 1.777 178.423 176.600 0.077 0.000 0.988 751 E CA 1.554 58.013 56.400 0.099 0.000 0.804 751 E CB -0.221 29.521 29.700 0.070 0.000 0.745 751 E HN 0.561 nan 8.360 nan 0.000 0.458 752 T N 0.942 115.531 114.554 0.059 0.000 2.821 752 T HA -0.079 4.271 4.350 0.001 0.000 0.267 752 T C 1.845 176.558 174.700 0.022 0.000 1.046 752 T CA 1.030 63.153 62.100 0.038 0.000 1.139 752 T CB -0.090 68.794 68.868 0.027 0.000 0.871 752 T HN 0.185 nan 8.240 nan 0.000 0.454 753 I N 0.746 121.313 120.570 -0.005 0.000 2.252 753 I HA -0.168 4.002 4.170 0.001 0.000 0.245 753 I C 2.831 178.913 176.117 -0.058 0.000 1.102 753 I CA 1.196 62.434 61.300 -0.103 0.000 1.385 753 I CB -0.357 37.449 38.000 -0.323 0.000 1.064 753 I HN 0.245 nan 8.210 nan 0.000 0.414 754 Q N 0.698 120.526 119.800 0.047 0.000 2.061 754 Q HA -0.221 4.119 4.340 0.001 0.000 0.204 754 Q C 2.047 178.088 176.000 0.070 0.000 0.984 754 Q CA 1.682 57.544 55.803 0.098 0.000 0.846 754 Q CB -0.016 28.809 28.738 0.145 0.000 0.902 754 Q HN 0.485 nan 8.270 nan 0.000 0.421 755 N N 0.746 119.487 118.700 0.069 0.000 2.166 755 N HA -0.171 4.569 4.740 0.001 0.000 0.186 755 N C 1.331 176.901 175.510 0.099 0.000 1.019 755 N CA 1.396 54.493 53.050 0.079 0.000 0.856 755 N CB -0.427 38.103 38.487 0.071 0.000 0.993 755 N HN 0.291 nan 8.380 nan 0.000 0.426 756 D N 1.025 121.475 120.400 0.084 0.000 2.097 756 D HA -0.069 4.572 4.640 0.001 0.000 0.195 756 D C 2.114 178.462 176.300 0.080 0.000 0.989 756 D CA 0.713 54.793 54.000 0.133 0.000 0.827 756 D CB -0.213 40.641 40.800 0.091 0.000 0.966 756 D HN 0.174 nan 8.370 nan 0.000 0.456 757 L N 0.215 121.435 121.223 -0.005 0.000 2.083 757 L HA -0.135 4.205 4.340 0.001 0.000 0.209 757 L C 2.498 179.352 176.870 -0.027 0.000 1.083 757 L CA 1.307 56.108 54.840 -0.066 0.000 0.752 757 L CB -0.500 41.533 42.059 -0.043 0.000 0.899 757 L HN 0.102 nan 8.230 nan 0.000 0.433 758 E N 0.236 120.463 120.200 0.045 0.000 2.110 758 E HA -0.194 4.156 4.350 0.001 0.000 0.193 758 E C 2.362 179.034 176.600 0.120 0.000 0.988 758 E CA 0.941 57.386 56.400 0.075 0.000 0.804 758 E CB -0.137 29.617 29.700 0.091 0.000 0.745 758 E HN 0.457 nan 8.360 nan 0.000 0.458 759 L N 0.736 122.075 121.223 0.194 0.000 2.046 759 L HA -0.197 4.144 4.340 0.001 0.000 0.208 759 L C 2.517 179.553 176.870 0.278 0.000 1.077 759 L CA 1.019 56.103 54.840 0.406 0.000 0.747 759 L CB -0.419 41.988 42.059 0.580 0.000 0.896 759 L HN 0.176 nan 8.230 nan 0.000 0.432 760 I N -0.889 119.591 120.570 -0.150 0.000 2.208 760 I HA -0.333 3.837 4.170 0.001 0.000 0.245 760 I C 2.864 178.887 176.117 -0.156 0.000 1.097 760 I CA 1.324 62.245 61.300 -0.632 0.000 1.363 760 I CB -0.231 37.244 38.000 -0.874 0.000 1.051 760 I HN 0.228 nan 8.210 nan 0.000 0.413 761 S N 0.730 116.401 115.700 -0.048 0.000 2.353 761 S HA -0.236 4.234 4.470 0.001 0.000 0.222 761 S C 2.017 176.628 174.600 0.019 0.000 1.035 761 S CA 1.704 59.940 58.200 0.060 0.000 1.025 761 S CB -0.086 63.143 63.200 0.047 0.000 0.902 761 S HN 0.301 nan 8.310 nan 0.000 0.440 762 K N -0.479 119.939 120.400 0.029 0.000 2.147 762 K HA -0.106 4.214 4.320 0.001 0.000 0.205 762 K C 1.986 178.470 176.600 -0.193 0.000 1.049 762 K CA 1.505 57.797 56.287 0.009 0.000 0.936 762 K CB -0.406 32.200 32.500 0.177 0.000 0.722 762 K HN 0.577 nan 8.250 nan 0.000 0.446 763 Y N 1.040 120.979 120.300 -0.601 0.000 2.165 763 Y HA -0.181 4.369 4.550 0.001 0.000 0.286 763 Y C 2.126 177.527 175.900 -0.832 0.000 1.155 763 Y CA 1.812 59.207 58.100 -1.176 0.000 1.164 763 Y CB -0.756 36.990 38.460 -1.190 0.000 0.978 763 Y HN 0.019 nan 8.280 nan 0.000 0.513 764 G N -0.284 108.085 108.800 -0.717 0.000 2.422 764 G HA2 -0.242 3.718 3.960 0.001 0.000 0.218 764 G HA3 -0.242 3.718 3.960 0.001 0.000 0.218 764 G C 1.462 175.655 174.900 -1.178 0.000 1.146 764 G CA 0.840 45.210 45.100 -1.215 0.000 0.769 764 G HN 0.531 nan 8.290 nan 0.000 0.547 765 E N 0.334 120.154 120.200 -0.633 0.000 2.265 765 E HA -0.096 4.254 4.350 0.001 0.000 0.196 765 E C 2.372 178.690 176.600 -0.469 0.000 0.996 765 E CA 0.683 56.831 56.400 -0.420 0.000 0.832 765 E CB 0.045 29.614 29.700 -0.217 0.000 0.756 765 E HN 0.485 nan 8.360 nan 0.000 0.491 766 E N 0.026 119.854 120.200 -0.620 0.000 2.110 766 E HA -0.166 4.185 4.350 0.001 0.000 0.193 766 E C 1.125 177.425 176.600 -0.500 0.000 0.988 766 E CA 0.978 57.118 56.400 -0.433 0.000 0.804 766 E CB -0.043 29.459 29.700 -0.330 0.000 0.745 766 E HN 0.438 nan 8.360 nan 0.000 0.458 767 F N -1.925 117.601 119.950 -0.706 0.000 2.855 767 F HA 0.616 5.144 4.527 0.001 0.000 0.317 767 F C 0.992 176.385 175.800 -0.678 0.000 1.169 767 F CA -0.312 57.040 58.000 -1.079 0.000 1.299 767 F CB 0.313 38.176 39.000 -1.896 0.000 0.962 767 F HN -0.024 nan 8.300 nan 0.000 0.506 768 G N -0.674 107.877 108.800 -0.414 0.000 2.153 768 G HA2 -0.306 3.655 3.960 0.001 0.000 0.252 768 G HA3 -0.306 3.655 3.960 0.001 0.000 0.252 768 G C -0.475 174.472 174.900 0.077 0.000 0.994 768 G CA -0.094 44.935 45.100 -0.118 0.000 0.698 768 G HN 0.354 nan 8.290 nan 0.000 0.521 769 W N 0.887 121.915 121.300 -0.452 0.000 2.429 769 W HA 0.645 5.305 4.660 0.001 0.000 0.314 769 W C 0.357 176.558 176.519 -0.529 0.000 1.062 769 W CA -1.587 55.488 57.345 -0.449 0.000 1.211 769 W CB 1.059 30.194 29.460 -0.542 0.000 1.305 769 W HN -0.016 nan 8.180 nan 0.000 0.476 770 K N 4.496 124.789 120.400 -0.177 0.000 2.299 770 K HA 0.246 4.566 4.320 0.001 0.000 0.268 770 K C -0.864 175.652 176.600 -0.139 0.000 1.075 770 K CA -0.794 55.405 56.287 -0.145 0.000 0.936 770 K CB 0.739 33.191 32.500 -0.079 0.000 1.228 770 K HN 0.203 nan 8.250 nan 0.000 0.454 771 Y N 1.278 121.566 120.300 -0.021 0.000 2.411 771 Y HA -0.028 4.523 4.550 0.001 0.000 0.333 771 Y C 0.806 176.695 175.900 -0.019 0.000 1.186 771 Y CA 0.117 58.210 58.100 -0.012 0.000 1.381 771 Y CB 0.547 39.006 38.460 -0.002 0.000 1.273 771 Y HN 0.460 nan 8.280 nan 0.000 0.546 772 D N 4.454 124.962 120.400 0.180 0.000 2.472 772 D HA 0.301 4.941 4.640 0.001 0.000 0.234 772 D C -0.803 175.554 176.300 0.094 0.000 1.088 772 D CA -0.127 53.929 54.000 0.094 0.000 0.882 772 D CB 0.328 41.160 40.800 0.054 0.000 1.037 772 D HN 0.428 nan 8.370 nan 0.000 0.520 773 I N 1.748 122.362 120.570 0.074 0.000 2.392 773 I HA 0.528 4.698 4.170 0.001 0.000 0.295 773 I C 0.170 176.315 176.117 0.047 0.000 0.985 773 I CA -0.809 60.520 61.300 0.048 0.000 1.221 773 I CB 1.885 39.897 38.000 0.019 0.000 1.366 773 I HN 0.275 nan 8.210 nan 0.000 0.467 774 A N 5.991 128.842 122.820 0.053 0.000 2.385 774 A HA 0.542 4.862 4.320 0.001 0.000 0.290 774 A C -1.597 176.057 177.584 0.117 0.000 1.094 774 A CA -0.359 51.703 52.037 0.041 0.000 0.729 774 A CB 0.916 19.906 19.000 -0.017 0.000 1.194 774 A HN 0.578 nan 8.150 nan 0.000 0.442 775 Y N 3.231 123.509 120.300 -0.036 0.000 2.447 775 Y HA 0.506 5.056 4.550 0.001 0.000 0.325 775 Y C -0.589 175.297 175.900 -0.024 0.000 0.976 775 Y CA -1.828 56.264 58.100 -0.013 0.000 1.280 775 Y CB 1.336 39.799 38.460 0.004 0.000 1.104 775 Y HN 0.722 nan 8.280 nan 0.000 0.486 776 D N 1.809 122.176 120.400 -0.056 0.000 2.636 776 D HA 0.296 4.936 4.640 0.001 0.000 0.270 776 D C 1.396 177.661 176.300 -0.059 0.000 1.430 776 D CA 0.173 54.076 54.000 -0.163 0.000 0.796 776 D CB 0.284 40.940 40.800 -0.240 0.000 1.117 776 D HN 0.724 nan 8.370 nan 0.000 0.480 777 G N -0.714 108.093 108.800 0.012 0.000 2.179 777 G HA2 -0.265 3.695 3.960 0.001 0.000 0.260 777 G HA3 -0.265 3.695 3.960 0.001 0.000 0.260 777 G C 0.424 175.452 174.900 0.213 0.000 0.977 777 G CA 0.609 45.795 45.100 0.142 0.000 0.641 777 G HN 0.529 nan 8.290 nan 0.000 0.533 778 T N -0.069 114.596 114.554 0.185 0.000 2.926 778 T HA 0.802 5.152 4.350 0.001 0.000 0.289 778 T C -0.123 174.705 174.700 0.213 0.000 1.054 778 T CA 0.393 62.629 62.100 0.226 0.000 1.015 778 T CB 1.902 70.938 68.868 0.279 0.000 1.167 778 T HN 1.420 nan 8.240 nan 0.000 0.526 779 A N 1.444 124.415 122.820 0.252 0.000 2.343 779 A HA 0.752 5.073 4.320 0.001 0.000 0.316 779 A C -0.743 177.001 177.584 0.267 0.000 1.104 779 A CA -0.557 51.618 52.037 0.230 0.000 0.768 779 A CB 1.095 20.215 19.000 0.199 0.000 1.213 779 A HN 0.753 nan 8.150 nan 0.000 0.456 780 E N 1.561 121.867 120.200 0.178 0.000 2.302 780 E HA 0.453 4.803 4.350 0.001 0.000 0.263 780 E C -2.385 174.297 176.600 0.137 0.000 0.897 780 E CA -0.342 56.090 56.400 0.054 0.000 0.809 780 E CB 1.455 31.120 29.700 -0.059 0.000 1.270 780 E HN 0.624 nan 8.360 nan 0.000 0.410 781 Y N 4.831 125.116 120.300 -0.026 0.000 2.433 781 Y HA 0.289 4.839 4.550 0.001 0.000 0.337 781 Y C -0.128 175.742 175.900 -0.050 0.000 1.026 781 Y CA -1.083 56.998 58.100 -0.031 0.000 1.037 781 Y CB 0.884 39.336 38.460 -0.013 0.000 1.245 781 Y HN 0.663 nan 8.280 nan 0.000 0.443 782 L N 6.498 127.415 121.223 -0.509 0.000 3.678 782 L HA -0.406 3.935 4.340 0.001 0.000 0.425 782 L C 0.436 177.152 176.870 -0.257 0.000 1.240 782 L CA 0.910 55.480 54.840 -0.449 0.000 0.876 782 L CB -1.065 40.641 42.059 -0.588 0.000 1.766 782 L HN 0.770 nan 8.230 nan 0.000 0.917 783 K N -2.624 117.624 120.400 -0.254 0.000 3.407 783 K HA -0.132 4.188 4.320 0.001 0.000 0.312 783 K C 0.009 176.406 176.600 -0.339 0.000 1.302 783 K CA 1.216 57.336 56.287 -0.279 0.000 0.931 783 K CB -1.555 30.862 32.500 -0.138 0.000 1.257 783 K HN 0.602 nan 8.250 nan 0.000 0.454 784 L N 0.723 121.740 121.223 -0.344 0.000 2.325 784 L HA 0.452 4.792 4.340 0.001 0.000 0.278 784 L C 0.187 176.712 176.870 -0.575 0.000 1.023 784 L CA -1.019 53.623 54.840 -0.330 0.000 0.811 784 L CB 0.925 42.887 42.059 -0.163 0.000 1.249 784 L HN -0.083 nan 8.230 nan 0.000 0.431 785 Y N 1.602 121.624 120.300 -0.463 0.000 2.387 785 Y HA 0.586 5.136 4.550 0.001 0.000 0.336 785 Y C -0.577 174.945 175.900 -0.630 0.000 1.067 785 Y CA -0.572 57.334 58.100 -0.324 0.000 1.114 785 Y CB 1.659 40.008 38.460 -0.184 0.000 1.208 785 Y HN 0.246 nan 8.280 nan 0.000 0.458 786 F N 3.490 123.543 119.950 0.172 0.000 2.561 786 F HA 0.565 5.093 4.527 0.001 0.000 0.313 786 F C -0.747 175.145 175.800 0.154 0.000 1.126 786 F CA -0.874 57.207 58.000 0.134 0.000 0.918 786 F CB 1.941 40.989 39.000 0.081 0.000 1.199 786 F HN 0.307 nan 8.300 nan 0.000 0.444 787 I N 3.478 124.254 120.570 0.344 0.000 2.534 787 I HA 0.456 4.627 4.170 0.001 0.000 0.288 787 I C -0.838 175.514 176.117 0.391 0.000 1.077 787 I CA -0.610 60.875 61.300 0.308 0.000 1.051 787 I CB 0.850 38.947 38.000 0.162 0.000 1.234 787 I HN 0.602 nan 8.210 nan 0.000 0.425 788 F N 6.379 126.349 119.950 0.034 0.000 3.090 788 F HA -0.195 4.333 4.527 0.001 0.000 0.282 788 F C 1.400 177.133 175.800 -0.110 0.000 0.923 788 F CA 1.301 59.191 58.000 -0.185 0.000 0.977 788 F CB -1.861 36.747 39.000 -0.653 0.000 0.954 788 F HN 0.896 nan 8.300 nan 0.000 0.695 789 G N -1.497 107.397 108.800 0.158 0.000 2.179 789 G HA2 -0.303 3.657 3.960 0.001 0.000 0.260 789 G HA3 -0.303 3.657 3.960 0.001 0.000 0.260 789 G C 0.281 175.320 174.900 0.231 0.000 0.977 789 G CA 0.058 45.225 45.100 0.112 0.000 0.641 789 G HN 1.060 nan 8.290 nan 0.000 0.533 790 C N 1.085 120.584 119.300 0.331 0.000 2.303 790 C HA 0.787 5.247 4.460 0.001 0.000 0.326 790 C C 1.009 176.185 174.990 0.310 0.000 1.285 790 C CA -1.119 58.095 59.018 0.327 0.000 1.675 790 C CB 0.566 28.515 27.740 0.348 0.000 2.289 790 C HN 0.592 nan 8.230 nan 0.000 0.512 791 R N 5.030 125.674 120.500 0.240 0.000 2.438 791 R HA 0.461 4.801 4.340 0.001 0.000 0.287 791 R C -0.635 175.624 176.300 -0.068 0.000 1.077 791 R CA -0.219 55.849 56.100 -0.053 0.000 1.034 791 R CB 0.385 30.652 30.300 -0.055 0.000 0.993 791 R HN 0.709 nan 8.270 nan 0.000 0.459 792 I N 7.431 127.906 120.570 -0.158 0.000 2.371 792 I HA 0.302 4.472 4.170 0.001 0.000 0.282 792 I C -2.179 173.858 176.117 -0.134 0.000 1.031 792 I CA -2.974 58.258 61.300 -0.112 0.000 1.180 792 I CB 1.061 38.992 38.000 -0.114 0.000 1.336 792 I HN 0.498 nan 8.210 nan 0.000 0.467 793 P HA 0.087 nan 4.420 nan 0.000 0.268 793 P C -0.103 177.111 177.300 -0.143 0.000 1.205 793 P CA -0.107 62.940 63.100 -0.089 0.000 0.771 793 P CB 0.604 32.262 31.700 -0.070 0.000 0.858 794 N N 2.965 121.594 118.700 -0.119 0.000 2.699 794 N HA 0.103 4.843 4.740 0.001 0.000 0.232 794 N C 0.486 175.901 175.510 -0.159 0.000 1.027 794 N CA -0.187 52.723 53.050 -0.234 0.000 0.920 794 N CB -0.159 38.132 38.487 -0.327 0.000 1.148 794 N HN 0.081 nan 8.380 nan 0.000 0.509 795 L N 1.912 123.034 121.223 -0.168 0.000 2.191 795 L HA -0.123 4.218 4.340 0.001 0.000 0.212 795 L C 2.403 179.183 176.870 -0.151 0.000 1.103 795 L CA 1.334 56.094 54.840 -0.133 0.000 0.769 795 L CB -1.048 40.904 42.059 -0.178 0.000 0.908 795 L HN 0.638 nan 8.230 nan 0.000 0.438 796 S N -0.829 114.748 115.700 -0.206 0.000 2.419 796 S HA -0.182 4.288 4.470 0.001 0.000 0.233 796 S C 2.055 176.513 174.600 -0.236 0.000 1.016 796 S CA 0.667 58.743 58.200 -0.206 0.000 0.974 796 S CB -0.413 62.660 63.200 -0.211 0.000 0.786 796 S HN 0.436 nan 8.310 nan 0.000 0.492 797 R N 0.131 120.455 120.500 -0.294 0.000 2.307 797 R HA 0.137 4.477 4.340 0.001 0.000 0.199 797 R C 0.031 176.005 176.300 -0.544 0.000 1.000 797 R CA 0.634 56.480 56.100 -0.422 0.000 1.023 797 R CB -0.091 29.926 30.300 -0.471 0.000 0.908 797 R HN 0.641 nan 8.270 nan 0.000 0.473 798 H N -0.121 118.869 119.070 -0.132 0.000 2.355 798 H HA 0.213 4.769 4.556 0.001 0.000 0.232 798 H C -2.405 172.871 175.328 -0.087 0.000 1.422 798 H CA -2.144 53.851 56.048 -0.089 0.000 1.261 798 H CB 0.575 30.297 29.762 -0.067 0.000 1.595 798 H HN -0.045 nan 8.280 nan 0.000 0.529 799 P HA -0.078 nan 4.420 nan 0.000 0.258 799 P C 0.836 178.133 177.300 -0.005 0.000 1.172 799 P CA 0.499 63.561 63.100 -0.063 0.000 0.762 799 P CB 0.750 32.379 31.700 -0.119 0.000 0.764 800 I N 3.247 123.799 120.570 -0.030 0.000 2.286 800 I HA -0.194 3.976 4.170 0.001 0.000 0.248 800 I C 1.907 177.904 176.117 -0.199 0.000 1.115 800 I CA 1.510 62.815 61.300 0.009 0.000 1.392 800 I CB -0.173 37.881 38.000 0.089 0.000 1.065 800 I HN 0.253 nan 8.210 nan 0.000 0.418 801 V N -1.830 117.833 119.914 -0.418 0.000 3.471 801 V HA 0.335 4.456 4.120 0.001 0.000 0.258 801 V C 1.225 177.177 176.094 -0.236 0.000 1.192 801 V CA 0.168 62.032 62.300 -0.728 0.000 1.116 801 V CB -1.133 30.204 31.823 -0.811 0.000 0.792 801 V HN 0.200 nan 8.190 nan 0.000 0.459 802 G N 0.521 109.290 108.800 -0.053 0.000 2.527 802 G HA2 0.455 4.416 3.960 0.001 0.000 0.248 802 G HA3 0.455 4.416 3.960 0.001 0.000 0.248 802 G C -0.610 174.467 174.900 0.294 0.000 1.231 802 G CA -0.269 44.935 45.100 0.173 0.000 0.838 802 G HN 0.596 nan 8.290 nan 0.000 0.570 803 K N 0.096 120.662 120.400 0.275 0.000 2.572 803 K HA 0.174 4.495 4.320 0.001 0.000 0.263 803 K C -1.176 175.078 176.600 -0.577 0.000 0.932 803 K CA -0.719 55.528 56.287 -0.065 0.000 0.838 803 K CB 1.973 34.449 32.500 -0.040 0.000 1.366 803 K HN 0.465 nan 8.250 nan 0.000 0.425 804 E N 3.934 123.540 120.200 -0.991 0.000 2.257 804 E HA 0.141 4.491 4.350 0.001 0.000 0.278 804 E C -1.101 175.281 176.600 -0.363 0.000 1.049 804 E CA 0.087 55.910 56.400 -0.960 0.000 0.876 804 E CB 0.686 29.876 29.700 -0.850 0.000 1.035 804 E HN 0.475 nan 8.360 nan 0.000 0.419 805 R N 3.500 123.869 120.500 -0.218 0.000 2.629 805 R HA 0.321 4.661 4.340 0.001 0.000 0.275 805 R C 0.535 176.837 176.300 0.003 0.000 1.719 805 R CA -0.187 55.875 56.100 -0.064 0.000 1.472 805 R CB 1.189 31.491 30.300 0.004 0.000 1.237 805 R HN 0.509 nan 8.270 nan 0.000 0.589 806 A N 2.635 125.460 122.820 0.008 0.000 1.930 806 A HA -0.146 4.174 4.320 0.001 0.000 0.217 806 A C 0.951 178.660 177.584 0.209 0.000 1.175 806 A CA 1.147 53.233 52.037 0.082 0.000 0.627 806 A CB -0.395 18.634 19.000 0.049 0.000 0.815 806 A HN 0.783 nan 8.150 nan 0.000 0.443 807 N N -1.476 117.306 118.700 0.136 0.000 2.566 807 N HA 0.318 5.058 4.740 0.001 0.000 0.299 807 N C 0.430 176.020 175.510 0.133 0.000 1.277 807 N CA 0.133 53.242 53.050 0.099 0.000 0.965 807 N CB 0.710 39.189 38.487 -0.013 0.000 1.142 807 N HN 0.069 nan 8.380 nan 0.000 0.596 808 S N -1.679 113.990 115.700 -0.051 0.000 2.568 808 S HA 0.096 4.566 4.470 0.001 0.000 0.232 808 S C 0.386 174.964 174.600 -0.038 0.000 0.975 808 S CA -0.706 57.481 58.200 -0.022 0.000 0.949 808 S CB -0.823 62.270 63.200 -0.179 0.000 0.829 808 S HN 0.635 nan 8.310 nan 0.000 0.479 809 S N 1.603 117.281 115.700 -0.037 0.000 2.589 809 S HA 0.648 5.119 4.470 0.001 0.000 0.265 809 S C 0.448 175.036 174.600 -0.020 0.000 1.342 809 S CA -0.319 57.859 58.200 -0.036 0.000 1.005 809 S CB 0.435 63.613 63.200 -0.035 0.000 0.909 809 S HN 0.738 nan 8.310 nan 0.000 0.555 810 A N 1.349 124.156 122.820 -0.021 0.000 2.388 810 A HA 0.393 4.714 4.320 0.001 0.000 0.257 810 A C 0.727 178.317 177.584 0.010 0.000 1.095 810 A CA -0.599 51.430 52.037 -0.014 0.000 0.791 810 A CB -0.339 18.653 19.000 -0.013 0.000 1.029 810 A HN 0.949 nan 8.150 nan 0.000 0.489 811 E N 2.342 122.561 120.200 0.033 0.000 2.458 811 E HA 0.006 4.356 4.350 0.001 0.000 0.264 811 E C -0.518 176.114 176.600 0.053 0.000 1.097 811 E CA 0.026 56.466 56.400 0.067 0.000 0.973 811 E CB 0.384 30.172 29.700 0.147 0.000 0.963 811 E HN 0.622 nan 8.360 nan 0.000 0.451 812 E N 2.088 122.312 120.200 0.040 0.000 2.384 812 E HA 0.103 4.453 4.350 0.001 0.000 0.266 812 E C -2.056 174.580 176.600 0.060 0.000 1.012 812 E CA -1.566 54.850 56.400 0.028 0.000 0.901 812 E CB 0.476 30.173 29.700 -0.005 0.000 0.967 812 E HN 0.411 nan 8.360 nan 0.000 0.435 813 P HA -0.094 nan 4.420 nan 0.000 0.269 813 P C -0.865 176.542 177.300 0.179 0.000 1.209 813 P CA -0.208 62.973 63.100 0.136 0.000 0.776 813 P CB 0.381 32.152 31.700 0.119 0.000 0.876 814 W N 5.729 127.066 121.300 0.062 0.000 2.209 814 W HA 0.137 4.798 4.660 0.001 0.000 0.344 814 W C -1.485 175.089 176.519 0.091 0.000 1.285 814 W CA -0.850 56.542 57.345 0.079 0.000 1.267 814 W CB 0.209 29.741 29.460 0.120 0.000 1.167 814 W HN 0.375 nan 8.180 nan 0.000 0.574 815 P HA 0.156 nan 4.420 nan 0.000 0.241 815 P C 0.391 177.313 177.300 -0.629 0.000 1.783 815 P CA 0.364 62.711 63.100 -1.256 0.000 1.052 815 P CB 0.175 30.679 31.700 -1.993 0.000 1.594 816 A N 0.847 123.475 122.820 -0.319 0.000 1.986 816 A HA -0.207 4.113 4.320 0.001 0.000 0.220 816 A C 1.926 179.330 177.584 -0.299 0.000 1.171 816 A CA 1.265 53.148 52.037 -0.257 0.000 0.640 816 A CB -1.196 17.724 19.000 -0.134 0.000 0.811 816 A HN 0.294 nan 8.150 nan 0.000 0.451 817 I N -0.105 120.283 120.570 -0.302 0.000 2.335 817 I HA -0.232 3.938 4.170 0.001 0.000 0.251 817 I C 2.071 177.920 176.117 -0.447 0.000 1.129 817 I CA 1.254 62.337 61.300 -0.363 0.000 1.402 817 I CB -0.218 37.538 38.000 -0.407 0.000 1.069 817 I HN 0.368 nan 8.210 nan 0.000 0.424 818 L N -0.189 120.744 121.223 -0.483 0.000 2.083 818 L HA -0.200 4.140 4.340 0.001 0.000 0.209 818 L C 2.071 178.633 176.870 -0.512 0.000 1.083 818 L CA 1.317 55.879 54.840 -0.463 0.000 0.752 818 L CB -0.935 40.757 42.059 -0.613 0.000 0.899 818 L HN 0.224 nan 8.230 nan 0.000 0.433 819 D N -0.205 119.887 120.400 -0.512 0.000 2.144 819 D HA -0.172 4.468 4.640 0.001 0.000 0.200 819 D C 2.315 178.454 176.300 -0.269 0.000 0.978 819 D CA 1.062 54.804 54.000 -0.431 0.000 0.833 819 D CB -0.041 40.550 40.800 -0.348 0.000 0.961 819 D HN 0.369 nan 8.370 nan 0.000 0.470 820 Q N -0.217 119.440 119.800 -0.238 0.000 2.123 820 Q HA -0.053 4.287 4.340 0.001 0.000 0.199 820 Q C 2.097 178.017 176.000 -0.134 0.000 0.966 820 Q CA 0.578 56.291 55.803 -0.150 0.000 0.845 820 Q CB 0.174 28.829 28.738 -0.137 0.000 0.907 820 Q HN 0.240 nan 8.270 nan 0.000 0.439 821 I N 0.226 120.665 120.570 -0.218 0.000 2.286 821 I HA -0.215 3.955 4.170 0.001 0.000 0.248 821 I C 2.028 178.041 176.117 -0.174 0.000 1.115 821 I CA 1.298 62.485 61.300 -0.188 0.000 1.392 821 I CB -0.821 37.009 38.000 -0.283 0.000 1.065 821 I HN 0.357 nan 8.210 nan 0.000 0.418 822 M N 0.404 119.867 119.600 -0.229 0.000 2.229 822 M HA -0.046 4.434 4.480 0.001 0.000 0.264 822 M C 2.319 178.462 176.300 -0.262 0.000 1.063 822 M CA 1.351 56.464 55.300 -0.312 0.000 1.114 822 M CB -1.778 30.639 32.600 -0.304 0.000 1.387 822 M HN 0.262 nan 8.290 nan 0.000 0.420 823 G N -0.723 108.040 108.800 -0.062 0.000 2.422 823 G HA2 -0.051 3.909 3.960 0.001 0.000 0.218 823 G HA3 -0.051 3.909 3.960 0.001 0.000 0.218 823 G C 1.689 176.635 174.900 0.078 0.000 1.140 823 G CA 0.591 45.741 45.100 0.083 0.000 0.775 823 G HN 0.335 nan 8.290 nan 0.000 0.545 824 V N 0.458 120.412 119.914 0.067 0.000 2.270 824 V HA -0.107 4.014 4.120 0.001 0.000 0.245 824 V C 2.295 178.564 176.094 0.292 0.000 1.043 824 V CA 1.796 64.205 62.300 0.182 0.000 1.014 824 V CB -0.644 31.314 31.823 0.225 0.000 0.645 824 V HN 0.392 nan 8.190 nan 0.000 0.447 825 F N 0.891 120.820 119.950 -0.035 0.000 2.091 825 F HA -0.242 4.285 4.527 0.001 0.000 0.299 825 F C 2.026 177.850 175.800 0.041 0.000 1.103 825 F CA 1.818 59.779 58.000 -0.064 0.000 1.228 825 F CB -0.604 38.080 39.000 -0.527 0.000 0.984 825 F HN 0.169 nan 8.300 nan 0.000 0.477 826 F N 0.951 120.803 119.950 -0.164 0.000 2.216 826 F HA -0.184 4.343 4.527 0.001 0.000 0.300 826 F C 2.314 177.866 175.800 -0.413 0.000 1.085 826 F CA 1.219 58.952 58.000 -0.446 0.000 1.326 826 F CB -1.496 37.387 39.000 -0.195 0.000 1.027 826 F HN 0.062 nan 8.300 nan 0.000 0.497 827 N N 0.317 118.996 118.700 -0.035 0.000 2.166 827 N HA -0.111 4.630 4.740 0.001 0.000 0.186 827 N C 2.325 177.660 175.510 -0.293 0.000 1.019 827 N CA 1.326 54.292 53.050 -0.140 0.000 0.856 827 N CB -0.986 37.389 38.487 -0.187 0.000 0.993 827 N HN 0.362 nan 8.380 nan 0.000 0.426 828 G N 0.821 109.439 108.800 -0.302 0.000 2.422 828 G HA2 -0.167 3.794 3.960 0.001 0.000 0.218 828 G HA3 -0.167 3.794 3.960 0.001 0.000 0.218 828 G C 1.728 176.099 174.900 -0.880 0.000 1.146 828 G CA 0.753 45.385 45.100 -0.779 0.000 0.769 828 G HN 0.191 nan 8.290 nan 0.000 0.547 829 V N 0.614 119.859 119.914 -1.114 0.000 2.295 829 V HA -0.180 3.940 4.120 0.001 0.000 0.246 829 V C 2.581 178.041 176.094 -1.056 0.000 1.049 829 V CA 1.864 62.995 62.300 -1.947 0.000 1.024 829 V CB -0.649 30.040 31.823 -1.891 0.000 0.648 829 V HN 0.421 nan 8.190 nan 0.000 0.447 830 H N 0.016 118.768 119.070 -0.531 0.000 2.326 830 H HA -0.085 4.471 4.556 0.001 0.000 0.301 830 H C 1.928 177.129 175.328 -0.212 0.000 1.081 830 H CA 1.621 57.504 56.048 -0.275 0.000 1.334 830 H CB -0.317 29.319 29.762 -0.209 0.000 1.385 830 H HN 0.422 nan 8.280 nan 0.000 0.504 831 D N 0.037 120.347 120.400 -0.150 0.000 2.378 831 D HA 0.033 4.673 4.640 0.001 0.000 0.227 831 D C 1.089 177.326 176.300 -0.105 0.000 1.012 831 D CA 0.785 54.708 54.000 -0.129 0.000 0.905 831 D CB -0.214 40.479 40.800 -0.178 0.000 0.895 831 D HN 0.528 nan 8.370 nan 0.000 0.532 832 G N 1.283 110.036 108.800 -0.078 0.000 2.272 832 G HA2 -0.289 3.671 3.960 0.001 0.000 0.280 832 G HA3 -0.289 3.671 3.960 0.001 0.000 0.280 832 G C 0.370 175.348 174.900 0.130 0.000 1.067 832 G CA -0.055 45.123 45.100 0.130 0.000 0.902 832 G HN 0.303 nan 8.290 nan 0.000 0.500 833 L N -0.825 120.420 121.223 0.035 0.000 2.468 833 L HA 0.219 4.559 4.340 0.001 0.000 0.253 833 L C 1.081 178.060 176.870 0.182 0.000 1.237 833 L CA -0.538 54.273 54.840 -0.047 0.000 0.823 833 L CB 0.175 41.965 42.059 -0.448 0.000 1.124 833 L HN 0.167 nan 8.230 nan 0.000 0.504 834 Q N 2.076 121.927 119.800 0.084 0.000 2.276 834 Q HA -0.082 4.258 4.340 0.001 0.000 0.267 834 Q C 0.816 176.868 176.000 0.086 0.000 1.135 834 Q CA 0.094 55.925 55.803 0.047 0.000 0.910 834 Q CB 0.366 29.076 28.738 -0.047 0.000 1.271 834 Q HN 0.689 nan 8.270 nan 0.000 0.417 835 W N 4.472 125.631 121.300 -0.235 0.000 2.290 835 W HA -0.326 4.335 4.660 0.001 0.000 0.318 835 W C 0.676 177.135 176.519 -0.100 0.000 1.248 835 W CA 1.493 58.593 57.345 -0.410 0.000 1.263 835 W CB -0.689 28.172 29.460 -0.998 0.000 1.147 835 W HN 0.581 nan 8.180 nan 0.000 0.494 836 Q N 0.208 119.447 119.800 -0.935 0.000 2.016 836 Q HA -0.150 4.190 4.340 0.001 0.000 0.200 836 Q C 2.489 178.264 176.000 -0.375 0.000 0.978 836 Q CA 1.749 56.898 55.803 -1.090 0.000 0.833 836 Q CB -0.332 27.285 28.738 -1.868 0.000 0.895 836 Q HN 0.094 nan 8.270 nan 0.000 0.427 837 R N 0.233 120.600 120.500 -0.223 0.000 2.105 837 R HA -0.162 4.179 4.340 0.001 0.000 0.239 837 R C 1.750 178.238 176.300 0.314 0.000 1.135 837 R CA 1.119 57.242 56.100 0.038 0.000 0.967 837 R CB -0.880 29.441 30.300 0.034 0.000 0.861 837 R HN 0.562 nan 8.270 nan 0.000 0.442 838 W N 1.105 122.499 121.300 0.157 0.000 2.379 838 W HA -0.106 4.555 4.660 0.001 0.000 0.307 838 W C 1.859 178.640 176.519 0.437 0.000 1.200 838 W CA 0.735 58.280 57.345 0.333 0.000 1.297 838 W CB -0.145 29.578 29.460 0.438 0.000 1.140 838 W HN -0.024 nan 8.180 nan 0.000 0.507 839 I N 0.508 121.387 120.570 0.516 0.000 2.163 839 I HA -0.376 3.794 4.170 0.001 0.000 0.243 839 I C 2.728 179.049 176.117 0.339 0.000 1.085 839 I CA 1.731 63.290 61.300 0.432 0.000 1.347 839 I CB -0.696 37.711 38.000 0.677 0.000 1.044 839 I HN -0.037 nan 8.210 nan 0.000 0.408 840 R N 0.091 120.838 120.500 0.413 0.000 2.083 840 R HA -0.268 4.073 4.340 0.001 0.000 0.237 840 R C 2.583 178.992 176.300 0.181 0.000 1.137 840 R CA 1.963 58.260 56.100 0.328 0.000 0.951 840 R CB -0.581 29.903 30.300 0.307 0.000 0.851 840 R HN 0.294 nan 8.270 nan 0.000 0.434 841 Y N 1.282 121.609 120.300 0.046 0.000 2.097 841 Y HA -0.229 4.322 4.550 0.001 0.000 0.282 841 Y C 2.398 178.178 175.900 -0.199 0.000 1.152 841 Y CA 2.154 60.223 58.100 -0.051 0.000 1.136 841 Y CB -0.534 37.916 38.460 -0.017 0.000 0.975 841 Y HN 0.085 nan 8.280 nan 0.000 0.498 842 S N -0.500 114.894 115.700 -0.511 0.000 2.387 842 S HA -0.283 4.187 4.470 0.001 0.000 0.230 842 S C 1.672 175.899 174.600 -0.622 0.000 1.035 842 S CA 1.652 59.422 58.200 -0.716 0.000 1.014 842 S CB -0.874 61.829 63.200 -0.829 0.000 0.836 842 S HN 0.693 nan 8.310 nan 0.000 0.466 843 W N 1.466 122.535 121.300 -0.383 0.000 2.363 843 W HA -0.051 4.610 4.660 0.001 0.000 0.296 843 W C 2.705 179.149 176.519 -0.126 0.000 1.212 843 W CA 0.753 57.950 57.345 -0.246 0.000 1.260 843 W CB -0.379 28.983 29.460 -0.164 0.000 1.131 843 W HN 0.298 nan 8.180 nan 0.000 0.530 844 A N -0.335 122.502 122.820 0.029 0.000 1.898 844 A HA -0.158 4.163 4.320 0.001 0.000 0.216 844 A C 1.948 179.254 177.584 -0.464 0.000 1.181 844 A CA 1.207 53.242 52.037 -0.004 0.000 0.620 844 A CB -0.981 17.980 19.000 -0.064 0.000 0.819 844 A HN 0.281 nan 8.150 nan 0.000 0.442 845 L N -0.535 120.296 121.223 -0.652 0.000 1.994 845 L HA -0.245 4.095 4.340 0.001 0.000 0.208 845 L C 2.717 179.298 176.870 -0.481 0.000 1.071 845 L CA 1.880 56.324 54.840 -0.660 0.000 0.745 845 L CB -0.504 41.147 42.059 -0.679 0.000 0.892 845 L HN 0.530 nan 8.230 nan 0.000 0.431 846 C N -1.004 117.979 119.300 -0.528 0.000 2.413 846 C HA -0.240 4.221 4.460 0.001 0.000 0.276 846 C C 3.144 177.850 174.990 -0.473 0.000 1.248 846 C CA 0.912 59.538 59.018 -0.654 0.000 1.742 846 C CB -1.190 25.696 27.740 -1.423 0.000 2.017 846 C HN 0.802 nan 8.230 nan 0.000 0.481 847 C N 1.439 120.502 119.300 -0.394 0.000 2.413 847 C HA -0.035 4.425 4.460 0.001 0.000 0.277 847 C C 2.981 177.569 174.990 -0.669 0.000 1.265 847 C CA 1.342 60.023 59.018 -0.562 0.000 1.752 847 C CB -1.425 25.862 27.740 -0.755 0.000 1.998 847 C HN 0.614 nan 8.230 nan 0.000 0.489 848 A N -1.722 120.435 122.820 -1.106 0.000 2.172 848 A HA 0.117 4.437 4.320 0.001 0.000 0.216 848 A C 1.424 178.499 177.584 -0.848 0.000 1.154 848 A CA 1.111 52.281 52.037 -1.445 0.000 0.701 848 A CB -0.596 17.224 19.000 -1.966 0.000 0.789 848 A HN 0.663 nan 8.150 nan 0.000 0.465 849 F N -1.033 118.755 119.950 -0.270 0.000 2.746 849 F HA 0.089 4.617 4.527 0.001 0.000 0.320 849 F C 2.123 178.153 175.800 0.383 0.000 1.097 849 F CA 0.428 58.455 58.000 0.044 0.000 1.195 849 F CB 0.283 39.281 39.000 -0.004 0.000 1.056 849 F HN 0.208 nan 8.300 nan 0.000 0.562 850 S N -0.299 115.684 115.700 0.472 0.000 2.555 850 S HA 0.001 4.471 4.470 0.001 0.000 0.230 850 S C 0.989 176.014 174.600 0.708 0.000 0.978 850 S CA 0.053 58.697 58.200 0.741 0.000 0.934 850 S CB -0.099 63.575 63.200 0.790 0.000 0.766 850 S HN 0.313 nan 8.310 nan 0.000 0.533 851 R N 0.675 121.416 120.500 0.401 0.000 2.562 851 R HA 0.523 4.863 4.340 0.001 0.000 0.298 851 R C -1.462 174.758 176.300 -0.134 0.000 0.961 851 R CA -0.528 55.684 56.100 0.187 0.000 0.881 851 R CB 1.223 31.584 30.300 0.102 0.000 1.159 851 R HN 0.252 nan 8.270 nan 0.000 0.450 852 Q N 2.755 122.314 119.800 -0.402 0.000 2.305 852 Q HA 0.271 4.611 4.340 0.001 0.000 0.271 852 Q C -1.569 174.227 176.000 -0.341 0.000 1.046 852 Q CA -0.762 54.599 55.803 -0.738 0.000 0.798 852 Q CB 1.543 29.135 28.738 -1.911 0.000 1.286 852 Q HN 0.585 nan 8.270 nan 0.000 0.435 853 R N 2.006 122.342 120.500 -0.273 0.000 2.298 853 R HA 0.507 4.848 4.340 0.001 0.000 0.310 853 R C -0.847 175.217 176.300 -0.393 0.000 1.068 853 R CA 0.211 56.044 56.100 -0.445 0.000 0.957 853 R CB 0.469 30.594 30.300 -0.293 0.000 1.003 853 R HN 0.816 nan 8.270 nan 0.000 0.454 854 T N 2.046 116.327 114.554 -0.455 0.000 2.823 854 T HA 0.430 4.780 4.350 0.001 0.000 0.279 854 T C 0.013 174.578 174.700 -0.225 0.000 0.998 854 T CA -0.977 60.971 62.100 -0.253 0.000 0.994 854 T CB 1.514 70.284 68.868 -0.163 0.000 0.960 854 T HN 0.375 nan 8.240 nan 0.000 0.448 855 M N 3.870 123.390 119.600 -0.133 0.000 2.006 855 M HA 0.413 4.894 4.480 0.001 0.000 0.314 855 M C -0.925 175.341 176.300 -0.055 0.000 0.926 855 M CA -0.746 54.497 55.300 -0.094 0.000 0.906 855 M CB 0.691 33.248 32.600 -0.072 0.000 1.422 855 M HN 0.715 nan 8.290 nan 0.000 0.397 856 I N 2.947 123.488 120.570 -0.048 0.000 2.234 856 I HA 0.227 4.397 4.170 0.001 0.000 0.287 856 I C 0.991 177.097 176.117 -0.019 0.000 1.131 856 I CA -0.365 60.920 61.300 -0.026 0.000 1.335 856 I CB 0.109 38.097 38.000 -0.020 0.000 1.511 856 I HN 0.922 nan 8.210 nan 0.000 0.588 857 G N 4.515 113.305 108.800 -0.016 0.000 2.342 857 G HA2 -0.296 3.665 3.960 0.001 0.000 0.267 857 G HA3 -0.296 3.665 3.960 0.001 0.000 0.267 857 G C 0.602 175.495 174.900 -0.011 0.000 0.922 857 G CA 0.950 46.043 45.100 -0.011 0.000 1.342 857 G HN 0.966 nan 8.290 nan 0.000 0.430 858 E N -1.469 118.722 120.200 -0.014 0.000 4.250 858 E HA -0.263 4.088 4.350 0.001 0.000 0.325 858 E C 0.808 177.399 176.600 -0.015 0.000 0.640 858 E CA 1.709 58.102 56.400 -0.012 0.000 1.343 858 E CB -1.484 28.212 29.700 -0.006 0.000 1.759 858 E HN 1.407 nan 8.360 nan 0.000 0.401 859 S N 0.591 116.280 115.700 -0.019 0.000 2.439 859 S HA 0.442 4.912 4.470 0.001 0.000 0.282 859 S C -0.260 174.315 174.600 -0.042 0.000 1.170 859 S CA -0.324 57.865 58.200 -0.019 0.000 1.054 859 S CB 1.210 64.402 63.200 -0.012 0.000 0.956 859 S HN 0.293 nan 8.310 nan 0.000 0.490 860 V N 5.517 125.407 119.914 -0.039 0.000 2.432 860 V HA 0.707 4.828 4.120 0.001 0.000 0.275 860 V C 1.016 177.057 176.094 -0.089 0.000 1.043 860 V CA -0.033 62.213 62.300 -0.089 0.000 0.925 860 V CB 0.862 32.660 31.823 -0.041 0.000 0.985 860 V HN 0.947 nan 8.190 nan 0.000 0.466 861 G N 3.489 112.148 108.800 -0.234 0.000 2.766 861 G HA2 0.741 4.701 3.960 0.001 0.000 0.288 861 G HA3 0.741 4.701 3.960 0.001 0.000 0.288 861 G C -2.135 172.500 174.900 -0.442 0.000 1.408 861 G CA -0.560 44.454 45.100 -0.144 0.000 0.852 861 G HN 0.423 nan 8.290 nan 0.000 0.487 862 Y N -0.880 119.410 120.300 -0.017 0.000 2.433 862 Y HA 0.470 5.021 4.550 0.001 0.000 0.337 862 Y C -0.085 175.806 175.900 -0.015 0.000 1.026 862 Y CA -0.731 57.348 58.100 -0.036 0.000 1.037 862 Y CB 2.284 40.727 38.460 -0.028 0.000 1.245 862 Y HN 0.321 nan 8.280 nan 0.000 0.443 863 L N 3.495 124.762 121.223 0.073 0.000 2.292 863 L HA 0.585 4.925 4.340 0.001 0.000 0.284 863 L C -0.538 176.443 176.870 0.186 0.000 1.065 863 L CA -0.593 54.308 54.840 0.102 0.000 0.806 863 L CB 1.365 43.482 42.059 0.097 0.000 1.175 863 L HN 0.558 nan 8.230 nan 0.000 0.431 864 Q N 2.663 122.592 119.800 0.215 0.000 2.269 864 Q HA 0.330 4.670 4.340 0.001 0.000 0.263 864 Q C -1.809 174.374 176.000 0.304 0.000 0.983 864 Q CA -0.396 55.591 55.803 0.307 0.000 0.777 864 Q CB 1.188 30.066 28.738 0.234 0.000 1.273 864 Q HN 0.375 nan 8.270 nan 0.000 0.440 865 Y N 5.068 125.615 120.300 0.412 0.000 2.336 865 Y HA 0.396 4.947 4.550 0.001 0.000 0.335 865 Y C -1.829 174.264 175.900 0.322 0.000 1.046 865 Y CA -1.674 56.597 58.100 0.285 0.000 1.198 865 Y CB 1.041 39.622 38.460 0.202 0.000 1.182 865 Y HN 0.546 nan 8.280 nan 0.000 0.502 866 P HA -0.002 nan 4.420 nan 0.000 0.272 866 P C 0.746 178.046 177.300 0.000 0.000 1.230 866 P CA -0.212 63.032 63.100 0.239 0.000 0.788 866 P CB 0.612 32.474 31.700 0.271 0.000 0.949 867 M N -0.573 118.714 119.600 -0.520 0.000 2.195 867 M HA -0.172 4.309 4.480 0.001 0.000 0.260 867 M C 0.999 177.099 176.300 -0.334 0.000 1.066 867 M CA 2.030 56.752 55.300 -0.963 0.000 1.089 867 M CB -1.045 30.716 32.600 -1.397 0.000 1.377 867 M HN 0.231 nan 8.290 nan 0.000 0.411 868 W N 1.237 122.479 121.300 -0.097 0.000 2.421 868 W HA -0.042 4.618 4.660 0.001 0.000 0.270 868 W C 2.488 178.930 176.519 -0.129 0.000 1.233 868 W CA 0.821 58.137 57.345 -0.048 0.000 1.226 868 W CB -0.577 28.885 29.460 0.003 0.000 1.121 868 W HN 0.295 nan 8.180 nan 0.000 0.579 869 S N -0.012 115.599 115.700 -0.149 0.000 2.383 869 S HA -0.128 4.343 4.470 0.001 0.000 0.227 869 S C 1.380 175.394 174.600 -0.978 0.000 1.026 869 S CA 0.972 58.755 58.200 -0.694 0.000 0.981 869 S CB -0.525 62.112 63.200 -0.939 0.000 0.818 869 S HN 0.185 nan 8.310 nan 0.000 0.472 870 F N 1.174 120.891 119.950 -0.389 0.000 2.293 870 F HA -0.026 4.501 4.527 0.001 0.000 0.300 870 F C 2.248 177.945 175.800 -0.171 0.000 1.086 870 F CA 0.323 58.190 58.000 -0.222 0.000 1.375 870 F CB -0.788 37.954 39.000 -0.431 0.000 1.045 870 F HN 0.009 nan 8.300 nan 0.000 0.516 871 V N -0.829 119.120 119.914 0.058 0.000 2.270 871 V HA -0.335 3.785 4.120 0.001 0.000 0.245 871 V C 2.099 178.301 176.094 0.180 0.000 1.043 871 V CA 1.904 64.264 62.300 0.102 0.000 1.014 871 V CB -0.989 30.920 31.823 0.143 0.000 0.645 871 V HN 0.355 nan 8.190 nan 0.000 0.447 872 Y N -0.327 119.994 120.300 0.036 0.000 2.193 872 Y HA -0.266 4.284 4.550 0.001 0.000 0.285 872 Y C 2.192 178.154 175.900 0.103 0.000 1.166 872 Y CA 1.896 60.014 58.100 0.030 0.000 1.181 872 Y CB -0.177 38.183 38.460 -0.167 0.000 0.976 872 Y HN 0.282 nan 8.280 nan 0.000 0.520 873 W N -0.237 121.154 121.300 0.152 0.000 2.699 873 W HA 0.224 4.885 4.660 0.001 0.000 0.249 873 W C 1.787 178.404 176.519 0.162 0.000 1.280 873 W CA 1.394 58.792 57.345 0.090 0.000 1.345 873 W CB -0.641 28.824 29.460 0.009 0.000 1.128 873 W HN 0.368 nan 8.180 nan 0.000 0.642 874 G N -0.586 108.404 108.800 0.317 0.000 2.227 874 G HA2 -0.199 3.761 3.960 0.001 0.000 0.168 874 G HA3 -0.199 3.761 3.960 0.001 0.000 0.168 874 G C -0.475 174.549 174.900 0.207 0.000 1.006 874 G CA -0.436 44.883 45.100 0.364 0.000 0.684 874 G HN 0.035 nan 8.290 nan 0.000 0.489 875 L N 4.049 125.213 121.223 -0.097 0.000 2.325 875 L HA 0.533 4.873 4.340 0.001 0.000 0.284 875 L C -1.560 175.227 176.870 -0.138 0.000 1.089 875 L CA -2.412 52.138 54.840 -0.483 0.000 0.836 875 L CB 0.245 41.727 42.059 -0.961 0.000 1.184 875 L HN 0.024 nan 8.230 nan 0.000 0.444 876 P HA 0.052 nan 4.420 nan 0.000 0.271 876 P C -0.446 177.027 177.300 0.289 0.000 1.218 876 P CA -0.261 62.950 63.100 0.186 0.000 0.780 876 P CB 0.799 32.728 31.700 0.382 0.000 0.901 877 L N 2.515 123.747 121.223 0.017 0.000 2.452 877 L HA 0.061 4.402 4.340 0.001 0.000 0.267 877 L C 2.043 178.940 176.870 0.044 0.000 1.188 877 L CA -0.385 54.401 54.840 -0.090 0.000 0.821 877 L CB 0.453 42.277 42.059 -0.391 0.000 1.102 877 L HN 0.204 nan 8.230 nan 0.000 0.470 878 V N 0.537 120.244 119.914 -0.345 0.000 2.492 878 V HA 0.066 4.187 4.120 0.001 0.000 0.241 878 V C 0.446 176.210 176.094 -0.549 0.000 1.041 878 V CA 0.956 62.861 62.300 -0.659 0.000 1.057 878 V CB -0.157 31.056 31.823 -1.018 0.000 0.711 878 V HN 0.757 nan 8.190 nan 0.000 0.468 879 K N -0.544 119.603 120.400 -0.422 0.000 2.580 879 K HA 0.613 4.933 4.320 0.001 0.000 0.258 879 K C -1.753 174.690 176.600 -0.262 0.000 0.936 879 K CA 0.047 56.165 56.287 -0.282 0.000 0.852 879 K CB 2.070 34.369 32.500 -0.335 0.000 1.329 879 K HN 0.214 nan 8.250 nan 0.000 0.430 880 A N 2.176 124.920 122.820 -0.127 0.000 2.606 880 A HA 0.690 5.010 4.320 0.001 0.000 0.293 880 A C -0.928 176.588 177.584 -0.114 0.000 1.082 880 A CA -0.573 51.307 52.037 -0.262 0.000 0.685 880 A CB 0.275 19.114 19.000 -0.268 0.000 1.284 880 A HN 0.767 nan 8.150 nan 0.000 0.408 881 F N 0.093 119.889 119.950 -0.257 0.000 3.079 881 F HA -0.165 4.363 4.527 0.001 0.000 0.274 881 F C 1.658 177.440 175.800 -0.030 0.000 0.940 881 F CA 1.962 59.728 58.000 -0.391 0.000 0.932 881 F CB -1.421 37.500 39.000 -0.132 0.000 0.891 881 F HN 2.205 nan 8.300 nan 0.000 0.722 882 G N -0.335 108.524 108.800 0.099 0.000 2.160 882 G HA2 -0.181 3.779 3.960 0.001 0.000 0.251 882 G HA3 -0.181 3.779 3.960 0.001 0.000 0.251 882 G C 0.534 175.519 174.900 0.142 0.000 1.008 882 G CA 0.643 45.853 45.100 0.184 0.000 0.724 882 G HN 1.386 nan 8.290 nan 0.000 0.514 883 S N -0.573 115.192 115.700 0.109 0.000 2.655 883 S HA 0.601 5.071 4.470 0.001 0.000 0.265 883 S C 0.091 174.701 174.600 0.016 0.000 1.240 883 S CA -0.337 57.911 58.200 0.081 0.000 0.986 883 S CB 1.552 64.805 63.200 0.090 0.000 0.985 883 S HN 0.160 nan 8.310 nan 0.000 0.562 884 D N 2.379 122.779 120.400 -0.000 0.000 2.357 884 D HA 0.378 5.018 4.640 0.001 0.000 0.242 884 D C -2.085 174.181 176.300 -0.057 0.000 1.153 884 D CA -1.028 52.969 54.000 -0.004 0.000 0.918 884 D CB 0.323 41.134 40.800 0.018 0.000 1.181 884 D HN 0.437 nan 8.370 nan 0.000 0.435 885 P HA 0.065 nan 4.420 nan 0.000 0.281 885 P C -0.467 176.836 177.300 0.005 0.000 1.249 885 P CA -0.399 62.603 63.100 -0.163 0.000 0.810 885 P CB 0.415 32.045 31.700 -0.116 0.000 1.008 886 W N 0.916 122.217 121.300 0.002 0.000 5.121 886 W HA -0.189 4.471 4.660 0.001 0.000 0.372 886 W C 1.278 177.873 176.519 0.127 0.000 1.394 886 W CA 0.123 57.529 57.345 0.101 0.000 0.885 886 W CB -2.605 26.879 29.460 0.040 0.000 2.520 886 W HN 0.370 nan 8.180 nan 0.000 1.455 887 I N -4.090 116.473 120.570 -0.012 0.000 3.684 887 I HA 0.167 4.338 4.170 0.001 0.000 0.304 887 I C 0.688 176.668 176.117 -0.228 0.000 1.278 887 I CA 0.203 61.391 61.300 -0.186 0.000 1.272 887 I CB -0.247 37.496 38.000 -0.428 0.000 1.029 887 I HN -0.174 nan 8.210 nan 0.000 0.458 888 F N 1.545 121.648 119.950 0.255 0.000 2.436 888 F HA 0.519 5.046 4.527 0.001 0.000 0.340 888 F C 0.734 176.696 175.800 0.271 0.000 1.113 888 F CA -1.055 57.088 58.000 0.237 0.000 1.022 888 F CB 1.507 40.633 39.000 0.211 0.000 1.128 888 F HN -0.137 nan 8.300 nan 0.000 0.466 889 S N 2.808 118.729 115.700 0.367 0.000 2.646 889 S HA 0.247 4.717 4.470 0.001 0.000 0.276 889 S C 0.498 175.320 174.600 0.369 0.000 1.222 889 S CA -0.711 57.591 58.200 0.171 0.000 1.014 889 S CB 0.502 63.749 63.200 0.078 0.000 0.991 889 S HN 0.647 nan 8.310 nan 0.000 0.533 890 W N 2.866 124.254 121.300 0.148 0.000 2.961 890 W HA 0.203 4.864 4.660 0.001 0.000 0.240 890 W C 0.002 176.564 176.519 0.072 0.000 1.305 890 W CA -0.386 57.074 57.345 0.192 0.000 1.465 890 W CB -1.618 27.941 29.460 0.164 0.000 1.135 890 W HN 0.676 nan 8.180 nan 0.000 0.688 891 Y N 1.289 121.992 120.300 0.672 0.000 2.471 891 Y HA 0.207 4.758 4.550 0.001 0.000 0.286 891 Y C 1.637 177.887 175.900 0.585 0.000 1.188 891 Y CA -0.760 57.673 58.100 0.555 0.000 1.286 891 Y CB -0.942 37.716 38.460 0.331 0.000 1.072 891 Y HN -0.060 nan 8.280 nan 0.000 0.517 892 M N 2.549 122.494 119.600 0.575 0.000 2.269 892 M HA 0.157 4.637 4.480 0.001 0.000 0.350 892 M C -2.390 174.152 176.300 0.403 0.000 1.429 892 M CA -1.514 54.072 55.300 0.476 0.000 1.063 892 M CB 0.688 33.518 32.600 0.383 0.000 1.841 892 M HN -0.093 nan 8.290 nan 0.000 0.455 893 P HA 0.059 nan 4.420 nan 0.000 0.272 893 P C -0.684 176.659 177.300 0.071 0.000 1.248 893 P CA -0.149 62.997 63.100 0.078 0.000 0.799 893 P CB 0.452 32.164 31.700 0.019 0.000 0.997 894 T N -1.018 113.508 114.554 -0.047 0.000 2.912 894 T HA 0.535 4.885 4.350 0.001 0.000 0.280 894 T C 0.606 175.174 174.700 -0.220 0.000 0.989 894 T CA 0.477 62.533 62.100 -0.075 0.000 0.995 894 T CB 0.098 68.915 68.868 -0.086 0.000 1.077 894 T HN 0.713 nan 8.240 nan 0.000 0.531 895 G N 2.238 110.709 108.800 -0.548 0.000 2.582 895 G HA2 -0.304 3.656 3.960 0.001 0.000 0.300 895 G HA3 -0.304 3.656 3.960 0.001 0.000 0.300 895 G C 0.670 175.355 174.900 -0.358 0.000 1.300 895 G CA 0.794 45.299 45.100 -0.993 0.000 0.959 895 G HN 0.748 nan 8.290 nan 0.000 0.548 896 D N -0.501 119.862 120.400 -0.062 0.000 2.133 896 D HA -0.087 4.553 4.640 0.001 0.000 0.195 896 D C 2.522 178.920 176.300 0.163 0.000 0.997 896 D CA 1.535 55.632 54.000 0.162 0.000 0.840 896 D CB -0.229 40.703 40.800 0.221 0.000 0.947 896 D HN 0.321 nan 8.370 nan 0.000 0.452 897 L N 0.523 121.798 121.223 0.087 0.000 2.083 897 L HA 0.010 4.350 4.340 0.001 0.000 0.209 897 L C 2.119 179.077 176.870 0.147 0.000 1.083 897 L CA 1.950 56.837 54.840 0.078 0.000 0.752 897 L CB -0.780 41.272 42.059 -0.012 0.000 0.899 897 L HN 0.045 nan 8.230 nan 0.000 0.433 898 G N -1.283 107.578 108.800 0.103 0.000 2.408 898 G HA2 -0.168 3.793 3.960 0.001 0.000 0.215 898 G HA3 -0.168 3.793 3.960 0.001 0.000 0.215 898 G C 1.453 176.472 174.900 0.199 0.000 1.156 898 G CA 0.640 45.849 45.100 0.181 0.000 0.793 898 G HN 0.251 nan 8.290 nan 0.000 0.535 899 M N -0.214 119.449 119.600 0.106 0.000 2.117 899 M HA -0.017 4.463 4.480 0.001 0.000 0.262 899 M C 2.343 178.352 176.300 -0.486 0.000 1.065 899 M CA 0.906 56.113 55.300 -0.155 0.000 1.114 899 M CB -1.099 31.445 32.600 -0.093 0.000 1.361 899 M HN 0.426 nan 8.290 nan 0.000 0.408 900 Y N 0.848 120.995 120.300 -0.255 0.000 2.242 900 Y HA -0.157 4.393 4.550 0.001 0.000 0.291 900 Y C 2.443 178.252 175.900 -0.152 0.000 1.137 900 Y CA 1.807 59.790 58.100 -0.196 0.000 1.181 900 Y CB -0.249 38.218 38.460 0.012 0.000 0.989 900 Y HN 0.156 nan 8.280 nan 0.000 0.527 901 S N 0.879 116.497 115.700 -0.135 0.000 2.345 901 S HA -0.180 4.291 4.470 0.001 0.000 0.220 901 S C 1.867 176.439 174.600 -0.047 0.000 1.031 901 S CA 1.430 59.574 58.200 -0.092 0.000 0.996 901 S CB -0.931 62.372 63.200 0.172 0.000 0.882 901 S HN 0.856 nan 8.310 nan 0.000 0.445 902 W N 1.601 122.857 121.300 -0.073 0.000 2.425 902 W HA 0.050 4.710 4.660 0.001 0.000 0.277 902 W C 1.467 177.971 176.519 -0.025 0.000 1.231 902 W CA 0.399 57.674 57.345 -0.117 0.000 1.248 902 W CB -0.858 28.273 29.460 -0.550 0.000 1.117 902 W HN 0.230 nan 8.180 nan 0.000 0.568 903 I N 1.801 121.928 120.570 -0.739 0.000 2.163 903 I HA -0.280 3.890 4.170 0.001 0.000 0.240 903 I C 2.784 178.733 176.117 -0.280 0.000 1.081 903 I CA 1.842 62.741 61.300 -0.668 0.000 1.353 903 I CB -0.708 36.759 38.000 -0.889 0.000 1.054 903 I HN -0.151 nan 8.210 nan 0.000 0.407 904 S N 0.829 116.291 115.700 -0.396 0.000 2.400 904 S HA -0.145 4.325 4.470 0.001 0.000 0.232 904 S C 1.989 176.559 174.600 -0.049 0.000 1.025 904 S CA 1.228 59.260 58.200 -0.279 0.000 0.993 904 S CB -0.363 62.544 63.200 -0.488 0.000 0.808 904 S HN 0.322 nan 8.310 nan 0.000 0.478 905 L N 0.887 122.142 121.223 0.054 0.000 2.083 905 L HA -0.012 4.329 4.340 0.001 0.000 0.209 905 L C 1.677 178.669 176.870 0.203 0.000 1.083 905 L CA 1.143 56.094 54.840 0.184 0.000 0.752 905 L CB -0.314 41.970 42.059 0.376 0.000 0.899 905 L HN 0.450 nan 8.230 nan 0.000 0.433 906 I N -4.835 115.888 120.570 0.255 0.000 3.833 906 I HA 0.150 4.321 4.170 0.001 0.000 0.328 906 I C 1.902 178.122 176.117 0.173 0.000 1.554 906 I CA -0.306 61.143 61.300 0.248 0.000 1.116 906 I CB 0.006 38.243 38.000 0.396 0.000 1.182 906 I HN 0.023 nan 8.210 nan 0.000 0.459 907 R N 2.565 123.119 120.500 0.089 0.000 2.112 907 R HA -0.126 4.214 4.340 0.001 0.000 0.242 907 R C -0.610 175.748 176.300 0.097 0.000 1.137 907 R CA 2.730 58.857 56.100 0.045 0.000 0.944 907 R CB -1.244 29.007 30.300 -0.082 0.000 0.857 907 R HN 0.294 nan 8.270 nan 0.000 0.435 908 P HA -0.195 nan 4.420 nan 0.000 0.216 908 P C 1.269 178.660 177.300 0.150 0.000 1.153 908 P CA 0.945 64.108 63.100 0.105 0.000 0.858 908 P CB -0.066 31.689 31.700 0.091 0.000 0.789 909 L N -1.452 119.874 121.223 0.171 0.000 2.012 909 L HA -0.160 4.180 4.340 0.001 0.000 0.210 909 L C 2.317 179.349 176.870 0.269 0.000 1.073 909 L CA 2.164 57.139 54.840 0.226 0.000 0.748 909 L CB -1.371 40.835 42.059 0.245 0.000 0.891 909 L HN 0.083 nan 8.230 nan 0.000 0.431 910 M N -1.424 118.278 119.600 0.169 0.000 2.086 910 M HA -0.210 4.270 4.480 0.001 0.000 0.261 910 M C 2.091 178.504 176.300 0.189 0.000 1.067 910 M CA 2.054 57.350 55.300 -0.007 0.000 1.116 910 M CB -0.645 31.815 32.600 -0.233 0.000 1.348 910 M HN 0.203 nan 8.290 nan 0.000 0.407 911 T N -0.179 114.516 114.554 0.235 0.000 2.652 911 T HA -0.183 4.167 4.350 0.001 0.000 0.267 911 T C 1.845 176.678 174.700 0.221 0.000 1.039 911 T CA 1.392 63.636 62.100 0.239 0.000 1.153 911 T CB -0.333 68.661 68.868 0.209 0.000 0.863 911 T HN 0.350 nan 8.240 nan 0.000 0.428 912 R N -0.811 119.820 120.500 0.218 0.000 2.091 912 R HA -0.148 4.193 4.340 0.001 0.000 0.238 912 R C 2.324 178.770 176.300 0.243 0.000 1.136 912 R CA 1.793 58.012 56.100 0.198 0.000 0.959 912 R CB -0.375 30.039 30.300 0.189 0.000 0.856 912 R HN 0.544 nan 8.270 nan 0.000 0.437 913 W N 0.792 122.197 121.300 0.174 0.000 2.381 913 W HA -0.159 4.502 4.660 0.001 0.000 0.301 913 W C 1.930 178.599 176.519 0.249 0.000 1.205 913 W CA 1.438 58.924 57.345 0.235 0.000 1.285 913 W CB -0.124 29.560 29.460 0.373 0.000 1.133 913 W HN 0.004 nan 8.180 nan 0.000 0.521 914 M N -0.348 119.566 119.600 0.524 0.000 2.117 914 M HA -0.247 4.234 4.480 0.001 0.000 0.262 914 M C 1.812 178.200 176.300 0.147 0.000 1.065 914 M CA 1.821 57.354 55.300 0.388 0.000 1.114 914 M CB -1.022 31.756 32.600 0.297 0.000 1.361 914 M HN -0.107 nan 8.290 nan 0.000 0.408 915 V N 0.467 120.437 119.914 0.095 0.000 2.261 915 V HA -0.249 3.871 4.120 0.001 0.000 0.246 915 V C 2.640 178.690 176.094 -0.074 0.000 1.047 915 V CA 2.022 64.337 62.300 0.025 0.000 1.015 915 V CB -1.279 30.571 31.823 0.044 0.000 0.642 915 V HN 0.540 nan 8.190 nan 0.000 0.446 916 A N 0.204 122.964 122.820 -0.100 0.000 2.042 916 A HA -0.269 4.052 4.320 0.001 0.000 0.222 916 A C 1.689 179.105 177.584 -0.280 0.000 1.167 916 A CA 2.420 54.359 52.037 -0.164 0.000 0.649 916 A CB -0.760 18.147 19.000 -0.156 0.000 0.809 916 A HN 0.673 nan 8.150 nan 0.000 0.457 917 N N -1.407 117.037 118.700 -0.426 0.000 2.320 917 N HA 0.385 5.125 4.740 0.001 0.000 0.237 917 N C 0.856 176.063 175.510 -0.505 0.000 1.129 917 N CA 0.857 53.604 53.050 -0.505 0.000 0.854 917 N CB 0.558 38.550 38.487 -0.825 0.000 1.083 917 N HN 0.544 nan 8.380 nan 0.000 0.504 918 G N -0.222 108.368 108.800 -0.350 0.000 2.179 918 G HA2 -0.326 3.634 3.960 0.001 0.000 0.260 918 G HA3 -0.326 3.634 3.960 0.001 0.000 0.260 918 G C -0.339 174.357 174.900 -0.341 0.000 0.977 918 G CA -0.178 44.711 45.100 -0.351 0.000 0.641 918 G HN 0.391 nan 8.290 nan 0.000 0.533 919 Y N 0.391 120.630 120.300 -0.101 0.000 2.667 919 Y HA 0.587 5.138 4.550 0.001 0.000 0.340 919 Y C 0.716 176.578 175.900 -0.065 0.000 1.303 919 Y CA -0.254 57.801 58.100 -0.076 0.000 1.769 919 Y CB 0.520 38.950 38.460 -0.050 0.000 1.804 919 Y HN 0.222 nan 8.280 nan 0.000 0.451 920 V N 1.071 121.010 119.914 0.042 0.000 2.914 920 V HA 0.816 4.937 4.120 0.001 0.000 0.314 920 V C -0.503 175.595 176.094 0.006 0.000 1.084 920 V CA -0.263 62.052 62.300 0.025 0.000 0.963 920 V CB 2.597 34.422 31.823 0.002 0.000 1.025 920 V HN 0.508 nan 8.190 nan 0.000 0.432 921 T N 1.632 116.192 114.554 0.010 0.000 2.787 921 T HA 0.402 4.753 4.350 0.001 0.000 0.297 921 T C -0.319 174.388 174.700 0.010 0.000 1.221 921 T CA -0.165 61.935 62.100 -0.001 0.000 1.006 921 T CB 1.975 70.835 68.868 -0.014 0.000 1.328 921 T HN 0.751 nan 8.240 nan 0.000 0.509 922 D N 0.162 120.566 120.400 0.006 0.000 2.355 922 D HA 0.103 4.744 4.640 0.001 0.000 0.206 922 D C 0.762 177.074 176.300 0.020 0.000 1.010 922 D CA 0.141 54.148 54.000 0.012 0.000 0.875 922 D CB 0.341 41.145 40.800 0.005 0.000 0.966 922 D HN 0.160 nan 8.370 nan 0.000 0.512 923 R N 1.046 121.559 120.500 0.021 0.000 2.490 923 R HA 0.105 4.445 4.340 0.001 0.000 0.280 923 R C -0.968 175.363 176.300 0.052 0.000 1.077 923 R CA -0.266 55.854 56.100 0.033 0.000 1.065 923 R CB 0.381 30.700 30.300 0.032 0.000 1.003 923 R HN -0.084 nan 8.270 nan 0.000 0.470 924 C N 4.538 123.870 119.300 0.052 0.000 2.246 924 C HA 0.480 4.940 4.460 0.001 0.000 0.329 924 C C 0.286 175.312 174.990 0.060 0.000 1.221 924 C CA -0.284 58.767 59.018 0.055 0.000 1.697 924 C CB -0.657 27.107 27.740 0.039 0.000 2.312 924 C HN 0.852 nan 8.230 nan 0.000 0.509 925 S N 4.073 119.832 115.700 0.098 0.000 2.565 925 S HA 0.180 4.650 4.470 0.001 0.000 0.276 925 S C 1.298 175.870 174.600 -0.047 0.000 1.326 925 S CA -0.044 58.214 58.200 0.096 0.000 1.045 925 S CB 1.053 64.394 63.200 0.236 0.000 0.918 925 S HN 0.862 nan 8.310 nan 0.000 0.505 926 T N 4.081 118.532 114.554 -0.172 0.000 2.962 926 T HA -0.034 4.317 4.350 0.001 0.000 0.270 926 T C 1.499 176.021 174.700 -0.297 0.000 1.088 926 T CA 1.135 63.018 62.100 -0.362 0.000 1.127 926 T CB -0.031 68.411 68.868 -0.710 0.000 0.883 926 T HN 0.495 nan 8.240 nan 0.000 0.493 927 V N -0.691 119.031 119.914 -0.320 0.000 2.806 927 V HA 0.244 4.365 4.120 0.001 0.000 0.239 927 V C 1.002 176.720 176.094 -0.628 0.000 1.113 927 V CA 0.651 62.627 62.300 -0.540 0.000 1.137 927 V CB -0.108 31.233 31.823 -0.802 0.000 0.865 927 V HN 0.355 nan 8.190 nan 0.000 0.482 928 F N 0.883 120.755 119.950 -0.130 0.000 2.647 928 F HA 0.608 5.135 4.527 0.001 0.000 0.300 928 F C 1.646 177.450 175.800 0.007 0.000 1.106 928 F CA 0.210 58.174 58.000 -0.059 0.000 1.313 928 F CB -0.258 38.694 39.000 -0.080 0.000 1.007 928 F HN 0.226 nan 8.300 nan 0.000 0.536 929 G N 1.774 110.631 108.800 0.095 0.000 2.660 929 G HA2 -0.424 3.537 3.960 0.001 0.000 0.321 929 G HA3 -0.424 3.537 3.960 0.001 0.000 0.321 929 G C 0.883 175.855 174.900 0.119 0.000 1.246 929 G CA 0.785 45.936 45.100 0.086 0.000 1.000 929 G HN 0.474 nan 8.290 nan 0.000 0.550 930 N N 2.159 120.921 118.700 0.103 0.000 2.362 930 N HA 0.449 5.189 4.740 0.001 0.000 0.204 930 N C 0.543 176.111 175.510 0.098 0.000 1.166 930 N CA 0.132 53.234 53.050 0.087 0.000 0.831 930 N CB 0.293 38.816 38.487 0.059 0.000 1.008 930 N HN 0.780 nan 8.380 nan 0.000 0.472 931 A N 0.949 123.856 122.820 0.145 0.000 2.331 931 A HA 0.105 4.426 4.320 0.001 0.000 0.283 931 A C -0.097 177.531 177.584 0.075 0.000 1.142 931 A CA -0.360 51.750 52.037 0.122 0.000 0.812 931 A CB 0.499 19.582 19.000 0.140 0.000 1.074 931 A HN 0.079 nan 8.150 nan 0.000 0.497 932 D N 2.478 122.877 120.400 -0.002 0.000 2.688 932 D HA 0.101 4.741 4.640 0.001 0.000 0.228 932 D C 1.048 177.126 176.300 -0.370 0.000 1.116 932 D CA -0.154 53.759 54.000 -0.145 0.000 1.023 932 D CB -0.553 40.224 40.800 -0.037 0.000 1.100 932 D HN 0.565 nan 8.370 nan 0.000 0.487 933 Y N 0.886 120.889 120.300 -0.495 0.000 2.207 933 Y HA -0.159 4.391 4.550 0.001 0.000 0.287 933 Y C 2.008 177.246 175.900 -1.103 0.000 1.156 933 Y CA 0.952 58.368 58.100 -1.140 0.000 1.182 933 Y CB -0.497 37.083 38.460 -1.467 0.000 0.979 933 Y HN 0.023 nan 8.280 nan 0.000 0.521 934 R N 0.379 120.130 120.500 -1.248 0.000 2.096 934 R HA -0.183 4.157 4.340 0.001 0.000 0.240 934 R C 2.568 178.685 176.300 -0.305 0.000 1.139 934 R CA 1.982 57.737 56.100 -0.574 0.000 0.952 934 R CB -0.412 29.588 30.300 -0.499 0.000 0.854 934 R HN 0.419 nan 8.270 nan 0.000 0.436 935 R N 0.237 120.554 120.500 -0.305 0.000 2.115 935 R HA -0.108 4.232 4.340 0.001 0.000 0.226 935 R C 2.406 178.586 176.300 -0.201 0.000 1.100 935 R CA 1.276 57.302 56.100 -0.124 0.000 0.980 935 R CB -0.363 29.939 30.300 0.002 0.000 0.875 935 R HN 0.311 nan 8.270 nan 0.000 0.445 936 C N 0.455 119.431 119.300 -0.541 0.000 2.462 936 C HA -0.070 4.390 4.460 0.001 0.000 0.278 936 C C 2.403 177.218 174.990 -0.291 0.000 1.253 936 C CA 0.420 58.947 59.018 -0.818 0.000 1.713 936 C CB -1.221 25.940 27.740 -0.964 0.000 2.049 936 C HN 0.552 nan 8.230 nan 0.000 0.477 937 F N 1.788 121.436 119.950 -0.505 0.000 2.269 937 F HA -0.057 4.470 4.527 0.001 0.000 0.301 937 F C 2.429 178.015 175.800 -0.356 0.000 1.082 937 F CA 1.068 58.679 58.000 -0.648 0.000 1.360 937 F CB -1.484 36.676 39.000 -1.399 0.000 1.041 937 F HN 0.423 nan 8.300 nan 0.000 0.512 938 N N 0.379 119.099 118.700 0.034 0.000 2.173 938 N HA -0.123 4.617 4.740 0.001 0.000 0.184 938 N C 1.797 177.398 175.510 0.152 0.000 1.025 938 N CA 1.016 54.182 53.050 0.194 0.000 0.852 938 N CB -0.241 38.362 38.487 0.193 0.000 0.998 938 N HN 0.393 nan 8.380 nan 0.000 0.427 939 E N 0.955 121.224 120.200 0.115 0.000 2.077 939 E HA -0.090 4.261 4.350 0.001 0.000 0.193 939 E C 1.666 178.380 176.600 0.190 0.000 0.989 939 E CA 0.663 57.161 56.400 0.164 0.000 0.800 939 E CB -0.085 29.753 29.700 0.229 0.000 0.746 939 E HN 0.331 nan 8.360 nan 0.000 0.452 940 L N 0.496 121.822 121.223 0.172 0.000 2.610 940 L HA 0.006 4.346 4.340 0.001 0.000 0.232 940 L C 0.312 177.355 176.870 0.289 0.000 1.149 940 L CA 0.184 55.169 54.840 0.242 0.000 0.872 940 L CB -0.049 42.151 42.059 0.234 0.000 0.992 940 L HN 0.043 nan 8.230 nan 0.000 0.447 941 K N -0.719 119.814 120.400 0.221 0.000 3.341 941 K HA -0.240 4.080 4.320 0.001 0.000 0.305 941 K C 1.077 177.810 176.600 0.220 0.000 1.270 941 K CA 0.694 57.142 56.287 0.267 0.000 0.897 941 K CB -1.985 30.706 32.500 0.319 0.000 1.264 941 K HN 0.366 nan 8.250 nan 0.000 0.468 942 L N -0.449 120.701 121.223 -0.123 0.000 2.056 942 L HA -0.157 4.184 4.340 0.001 0.000 0.207 942 L C 2.143 178.937 176.870 -0.127 0.000 1.078 942 L CA 1.390 55.877 54.840 -0.589 0.000 0.749 942 L CB -0.139 41.247 42.059 -1.122 0.000 0.901 942 L HN 0.185 nan 8.230 nan 0.000 0.433 943 Y N 0.325 120.599 120.300 -0.044 0.000 2.163 943 Y HA -0.243 4.307 4.550 0.001 0.000 0.288 943 Y C 2.742 178.694 175.900 0.087 0.000 1.136 943 Y CA 1.151 59.241 58.100 -0.017 0.000 1.147 943 Y CB -0.871 37.683 38.460 0.156 0.000 0.987 943 Y HN 0.249 nan 8.280 nan 0.000 0.509 944 Q N -0.357 119.696 119.800 0.423 0.000 2.045 944 Q HA -0.152 4.188 4.340 0.001 0.000 0.206 944 Q C 2.659 178.787 176.000 0.214 0.000 0.991 944 Q CA 1.882 57.918 55.803 0.389 0.000 0.851 944 Q CB -1.265 27.689 28.738 0.359 0.000 0.911 944 Q HN 0.518 nan 8.270 nan 0.000 0.418 945 G N -0.853 108.069 108.800 0.203 0.000 2.422 945 G HA2 -0.313 3.648 3.960 0.001 0.000 0.218 945 G HA3 -0.313 3.648 3.960 0.001 0.000 0.218 945 G C 1.319 176.193 174.900 -0.044 0.000 1.146 945 G CA 0.868 46.038 45.100 0.116 0.000 0.769 945 G HN 0.419 nan 8.290 nan 0.000 0.547 946 Y N 0.467 120.671 120.300 -0.160 0.000 2.114 946 Y HA -0.167 4.384 4.550 0.001 0.000 0.284 946 Y C 2.549 178.057 175.900 -0.653 0.000 1.143 946 Y CA 1.626 59.481 58.100 -0.408 0.000 1.135 946 Y CB -0.327 37.968 38.460 -0.276 0.000 0.980 946 Y HN 0.232 nan 8.280 nan 0.000 0.499 947 Y N -0.669 119.458 120.300 -0.289 0.000 2.314 947 Y HA -0.173 4.377 4.550 0.001 0.000 0.293 947 Y C 2.561 178.306 175.900 -0.257 0.000 1.129 947 Y CA 1.364 59.236 58.100 -0.380 0.000 1.201 947 Y CB -0.533 37.667 38.460 -0.432 0.000 0.999 947 Y HN 0.172 nan 8.280 nan 0.000 0.541 948 M N -0.899 118.677 119.600 -0.039 0.000 2.132 948 M HA -0.185 4.296 4.480 0.001 0.000 0.263 948 M C 2.472 178.771 176.300 -0.002 0.000 1.065 948 M CA 1.604 56.897 55.300 -0.011 0.000 1.122 948 M CB -0.454 32.120 32.600 -0.044 0.000 1.365 948 M HN 0.287 nan 8.290 nan 0.000 0.411 949 A N 0.010 122.681 122.820 -0.249 0.000 2.024 949 A HA -0.201 4.119 4.320 0.001 0.000 0.220 949 A C 1.824 179.405 177.584 -0.005 0.000 1.164 949 A CA 1.460 53.289 52.037 -0.347 0.000 0.643 949 A CB -0.632 17.761 19.000 -1.012 0.000 0.806 949 A HN 0.614 nan 8.150 nan 0.000 0.451 950 Q N -0.686 118.980 119.800 -0.224 0.000 2.365 950 Q HA 0.293 4.633 4.340 0.001 0.000 0.203 950 Q C -0.514 175.519 176.000 0.055 0.000 0.929 950 Q CA -0.182 55.575 55.803 -0.077 0.000 0.948 950 Q CB 0.025 28.621 28.738 -0.237 0.000 1.043 950 Q HN 0.577 nan 8.270 nan 0.000 0.505 951 L N 2.728 124.012 121.223 0.101 0.000 2.334 951 L HA 0.356 4.696 4.340 0.001 0.000 0.277 951 L C -1.956 174.992 176.870 0.130 0.000 1.075 951 L CA -2.262 52.643 54.840 0.109 0.000 0.804 951 L CB 0.587 42.712 42.059 0.109 0.000 1.174 951 L HN -0.059 nan 8.230 nan 0.000 0.438 952 P HA 0.063 nan 4.420 nan 0.000 0.267 952 P C -0.534 176.803 177.300 0.063 0.000 1.205 952 P CA -0.253 62.888 63.100 0.067 0.000 0.765 952 P CB 0.580 32.311 31.700 0.052 0.000 0.828 953 R N 1.946 122.459 120.500 0.022 0.000 2.788 953 R HA 0.194 4.534 4.340 0.001 0.000 0.264 953 R C -0.381 175.909 176.300 -0.017 0.000 1.267 953 R CA 0.028 56.122 56.100 -0.010 0.000 1.213 953 R CB -0.485 29.742 30.300 -0.122 0.000 1.256 953 R HN 0.452 nan 8.270 nan 0.000 0.556 954 N N 0.288 118.995 118.700 0.012 0.000 2.558 954 N HA 0.214 4.955 4.740 0.001 0.000 0.285 954 N C -2.833 172.695 175.510 0.029 0.000 1.112 954 N CA -1.745 51.313 53.050 0.013 0.000 0.857 954 N CB 1.640 40.126 38.487 -0.001 0.000 1.376 954 N HN -0.173 nan 8.380 nan 0.000 0.526 955 P HA -0.102 nan 4.420 nan 0.000 0.261 955 P C -0.232 177.086 177.300 0.030 0.000 1.165 955 P CA 0.429 63.554 63.100 0.040 0.000 0.759 955 P CB 0.456 32.181 31.700 0.042 0.000 0.772 966 V N 1.693 121.676 119.914 0.115 0.000 2.970 966 V HA -0.015 4.105 4.120 0.001 0.000 0.260 966 V C 2.219 178.429 176.094 0.192 0.000 1.100 966 V CA 2.174 64.588 62.300 0.190 0.000 1.122 966 V CB -0.424 31.522 31.823 0.205 0.000 0.721 966 V HN 0.224 nan 8.190 nan 0.000 0.483 967 R N -0.271 120.297 120.500 0.114 0.000 2.075 967 R HA -0.137 4.204 4.340 0.001 0.000 0.232 967 R C 2.387 178.714 176.300 0.044 0.000 1.126 967 R CA 1.588 57.731 56.100 0.071 0.000 0.963 967 R CB -0.266 30.022 30.300 -0.020 0.000 0.858 967 R HN 0.501 nan 8.270 nan 0.000 0.435 968 E N 0.904 121.127 120.200 0.039 0.000 2.106 968 E HA -0.210 4.140 4.350 0.001 0.000 0.192 968 E C 1.749 178.382 176.600 0.056 0.000 0.984 968 E CA 1.477 57.890 56.400 0.021 0.000 0.806 968 E CB 0.092 29.805 29.700 0.023 0.000 0.750 968 E HN 0.502 nan 8.360 nan 0.000 0.458 969 Q N -0.745 119.135 119.800 0.135 0.000 2.046 969 Q HA -0.143 4.198 4.340 0.001 0.000 0.200 969 Q C 2.144 178.273 176.000 0.214 0.000 0.975 969 Q CA 1.372 57.300 55.803 0.208 0.000 0.836 969 Q CB -0.337 28.599 28.738 0.331 0.000 0.896 969 Q HN 0.210 nan 8.270 nan 0.000 0.428 970 F N 1.852 121.764 119.950 -0.063 0.000 2.026 970 F HA -0.260 4.267 4.527 0.001 0.000 0.296 970 F C 2.381 178.056 175.800 -0.210 0.000 1.133 970 F CA 2.021 59.758 58.000 -0.439 0.000 1.188 970 F CB -0.728 38.017 39.000 -0.427 0.000 0.968 970 F HN -0.031 nan 8.300 nan 0.000 0.476 971 T N -0.278 114.266 114.554 -0.017 0.000 2.699 971 T HA -0.329 4.022 4.350 0.001 0.000 0.268 971 T C 1.752 176.343 174.700 -0.183 0.000 1.036 971 T CA 1.778 63.770 62.100 -0.181 0.000 1.147 971 T CB -0.469 68.206 68.868 -0.323 0.000 0.862 971 T HN 0.247 nan 8.240 nan 0.000 0.446 972 Q N 1.232 120.969 119.800 -0.104 0.000 2.170 972 Q HA 0.073 4.413 4.340 0.001 0.000 0.203 972 Q C 2.255 178.225 176.000 -0.050 0.000 0.976 972 Q CA 1.691 57.452 55.803 -0.069 0.000 0.858 972 Q CB -0.729 27.997 28.738 -0.021 0.000 0.907 972 Q HN 0.527 nan 8.270 nan 0.000 0.433 973 A N 0.199 122.981 122.820 -0.063 0.000 1.858 973 A HA -0.135 4.186 4.320 0.001 0.000 0.216 973 A C 2.133 179.686 177.584 -0.053 0.000 1.190 973 A CA 1.499 53.511 52.037 -0.042 0.000 0.617 973 A CB -0.911 18.059 19.000 -0.050 0.000 0.827 973 A HN 0.441 nan 8.150 nan 0.000 0.443 974 L N -0.503 120.621 121.223 -0.164 0.000 2.043 974 L HA -0.216 4.124 4.340 0.001 0.000 0.212 974 L C 2.908 179.860 176.870 0.137 0.000 1.075 974 L CA 1.649 56.500 54.840 0.018 0.000 0.752 974 L CB -0.519 41.556 42.059 0.025 0.000 0.891 974 L HN 0.491 nan 8.230 nan 0.000 0.432 975 S N -0.436 115.266 115.700 0.003 0.000 2.370 975 S HA -0.216 4.255 4.470 0.001 0.000 0.226 975 S C 1.663 176.294 174.600 0.051 0.000 1.033 975 S CA 1.709 59.907 58.200 -0.002 0.000 1.011 975 S CB -0.254 62.901 63.200 -0.076 0.000 0.852 975 S HN 0.425 nan 8.310 nan 0.000 0.457 976 D N -0.441 119.992 120.400 0.055 0.000 2.178 976 D HA -0.076 4.564 4.640 0.001 0.000 0.202 976 D C 1.550 177.904 176.300 0.092 0.000 0.974 976 D CA 0.960 54.995 54.000 0.057 0.000 0.841 976 D CB -0.471 40.358 40.800 0.048 0.000 0.953 976 D HN 0.597 nan 8.370 nan 0.000 0.478 977 Y N 1.140 121.464 120.300 0.041 0.000 2.114 977 Y HA -0.212 4.338 4.550 0.001 0.000 0.284 977 Y C 2.203 178.157 175.900 0.091 0.000 1.143 977 Y CA 1.267 59.408 58.100 0.068 0.000 1.135 977 Y CB -0.329 38.186 38.460 0.091 0.000 0.980 977 Y HN -0.074 nan 8.280 nan 0.000 0.499 978 L N -0.357 121.015 121.223 0.250 0.000 2.023 978 L HA -0.122 4.219 4.340 0.001 0.000 0.205 978 L C 1.748 178.625 176.870 0.012 0.000 1.073 978 L CA 1.612 56.533 54.840 0.134 0.000 0.745 978 L CB -0.545 41.584 42.059 0.117 0.000 0.900 978 L HN 0.195 nan 8.230 nan 0.000 0.435 979 M N -0.224 119.398 119.600 0.037 0.000 2.704 979 M HA -0.027 4.454 4.480 0.001 0.000 0.215 979 M C 1.645 177.947 176.300 0.005 0.000 1.156 979 M CA 0.573 55.895 55.300 0.036 0.000 1.002 979 M CB -1.028 31.619 32.600 0.079 0.000 1.781 979 M HN 0.499 nan 8.290 nan 0.000 0.486 980 Q N 1.259 121.036 119.800 -0.038 0.000 2.082 980 Q HA -0.179 4.162 4.340 0.001 0.000 0.211 980 Q C 0.927 176.909 176.000 -0.029 0.000 1.002 980 Q CA 1.309 57.081 55.803 -0.053 0.000 0.868 980 Q CB 0.091 28.753 28.738 -0.127 0.000 0.931 980 Q HN 0.449 nan 8.270 nan 0.000 0.414 981 N N 0.201 118.880 118.700 -0.034 0.000 2.442 981 N HA 0.021 4.762 4.740 0.001 0.000 0.265 981 N C -2.123 173.392 175.510 0.008 0.000 1.138 981 N CA -1.234 51.810 53.050 -0.011 0.000 0.956 981 N CB 1.435 39.913 38.487 -0.015 0.000 1.067 981 N HN 0.012 nan 8.380 nan 0.000 0.474 982 P HA -0.126 nan 4.420 nan 0.000 0.216 982 P C 0.975 178.292 177.300 0.028 0.000 1.150 982 P CA 1.052 64.167 63.100 0.025 0.000 0.837 982 P CB 0.350 32.064 31.700 0.023 0.000 0.786 983 E N -0.567 119.648 120.200 0.025 0.000 2.110 983 E HA -0.174 4.176 4.350 0.001 0.000 0.193 983 E C 1.814 178.426 176.600 0.019 0.000 0.988 983 E CA 0.704 57.120 56.400 0.025 0.000 0.804 983 E CB -0.449 29.269 29.700 0.031 0.000 0.745 983 E HN 0.046 nan 8.360 nan 0.000 0.458 984 L N 1.434 122.666 121.223 0.015 0.000 2.056 984 L HA -0.176 4.165 4.340 0.001 0.000 0.207 984 L C 2.307 179.178 176.870 0.002 0.000 1.078 984 L CA 1.883 56.723 54.840 0.001 0.000 0.749 984 L CB -0.703 41.352 42.059 -0.007 0.000 0.901 984 L HN 0.099 nan 8.230 nan 0.000 0.433 985 K N -0.502 119.920 120.400 0.038 0.000 2.057 985 K HA -0.154 4.167 4.320 0.001 0.000 0.207 985 K C 2.017 178.659 176.600 0.069 0.000 1.049 985 K CA 1.784 58.125 56.287 0.091 0.000 0.931 985 K CB 0.082 32.653 32.500 0.118 0.000 0.714 985 K HN 0.286 nan 8.250 nan 0.000 0.440 986 S N 0.659 116.387 115.700 0.046 0.000 2.383 986 S HA -0.126 4.344 4.470 0.001 0.000 0.229 986 S C 1.788 176.395 174.600 0.011 0.000 1.030 986 S CA 1.188 59.410 58.200 0.036 0.000 1.002 986 S CB -0.224 62.993 63.200 0.029 0.000 0.829 986 S HN 0.352 nan 8.310 nan 0.000 0.467 987 R N 0.503 120.996 120.500 -0.012 0.000 2.070 987 R HA -0.036 4.305 4.340 0.001 0.000 0.233 987 R C 2.282 178.531 176.300 -0.084 0.000 1.137 987 R CA 1.394 57.471 56.100 -0.038 0.000 0.945 987 R CB -0.784 29.491 30.300 -0.042 0.000 0.845 987 R HN 0.257 nan 8.270 nan 0.000 0.430 988 V N 1.714 121.536 119.914 -0.152 0.000 2.392 988 V HA -0.234 3.887 4.120 0.001 0.000 0.249 988 V C 2.329 178.265 176.094 -0.265 0.000 1.059 988 V CA 1.635 63.733 62.300 -0.336 0.000 1.051 988 V CB -0.440 30.984 31.823 -0.665 0.000 0.658 988 V HN 0.280 nan 8.190 nan 0.000 0.455 989 L N -0.883 120.299 121.223 -0.067 0.000 2.056 989 L HA -0.121 4.219 4.340 0.001 0.000 0.207 989 L C 2.834 179.726 176.870 0.035 0.000 1.078 989 L CA 1.344 56.221 54.840 0.062 0.000 0.749 989 L CB -0.586 41.550 42.059 0.129 0.000 0.901 989 L HN 0.192 nan 8.230 nan 0.000 0.433 990 R N 0.395 120.905 120.500 0.016 0.000 2.083 990 R HA -0.143 4.198 4.340 0.001 0.000 0.237 990 R C 2.187 178.509 176.300 0.036 0.000 1.137 990 R CA 1.685 57.802 56.100 0.029 0.000 0.951 990 R CB -0.949 29.361 30.300 0.017 0.000 0.851 990 R HN 0.436 nan 8.270 nan 0.000 0.434 991 G N 0.662 109.457 108.800 -0.007 0.000 2.469 991 G HA2 -0.292 3.668 3.960 0.001 0.000 0.219 991 G HA3 -0.292 3.668 3.960 0.001 0.000 0.219 991 G C 1.680 176.623 174.900 0.072 0.000 1.150 991 G CA 0.775 45.878 45.100 0.005 0.000 0.763 991 G HN 0.337 nan 8.290 nan 0.000 0.561 992 R N 0.451 120.968 120.500 0.028 0.000 2.073 992 R HA -0.085 4.256 4.340 0.001 0.000 0.234 992 R C 3.188 179.593 176.300 0.174 0.000 1.134 992 R CA 1.731 57.892 56.100 0.102 0.000 0.952 992 R CB -0.371 29.979 30.300 0.083 0.000 0.850 992 R HN 0.543 nan 8.270 nan 0.000 0.433 993 S N 0.668 116.443 115.700 0.125 0.000 2.383 993 S HA -0.116 4.354 4.470 0.001 0.000 0.227 993 S C 1.784 176.464 174.600 0.133 0.000 1.026 993 S CA 0.882 59.148 58.200 0.110 0.000 0.981 993 S CB -0.076 63.172 63.200 0.080 0.000 0.818 993 S HN 0.199 nan 8.310 nan 0.000 0.472 994 E N 0.475 120.777 120.200 0.170 0.000 2.106 994 E HA -0.095 4.256 4.350 0.001 0.000 0.192 994 E C 1.655 178.433 176.600 0.298 0.000 0.984 994 E CA 0.747 57.292 56.400 0.242 0.000 0.806 994 E CB -0.433 29.388 29.700 0.202 0.000 0.750 994 E HN 0.811 nan 8.360 nan 0.000 0.458 995 W N 1.786 123.125 121.300 0.064 0.000 2.358 995 W HA -0.181 4.480 4.660 0.001 0.000 0.303 995 W C 1.362 177.887 176.519 0.010 0.000 1.208 995 W CA 1.019 58.385 57.345 0.036 0.000 1.274 995 W CB 0.242 29.697 29.460 -0.010 0.000 1.138 995 W HN 0.003 nan 8.180 nan 0.000 0.515 996 E N 0.672 120.903 120.200 0.052 0.000 2.153 996 E HA -0.184 4.167 4.350 0.001 0.000 0.194 996 E C 1.886 178.365 176.600 -0.202 0.000 0.988 996 E CA 1.434 57.783 56.400 -0.085 0.000 0.811 996 E CB -0.304 29.397 29.700 0.002 0.000 0.746 996 E HN 0.446 nan 8.360 nan 0.000 0.466 997 K N -0.692 119.586 120.400 -0.203 0.000 2.076 997 K HA -0.052 4.268 4.320 0.001 0.000 0.204 997 K C 1.649 177.876 176.600 -0.623 0.000 1.051 997 K CA 1.052 57.076 56.287 -0.438 0.000 0.949 997 K CB 0.019 32.188 32.500 -0.551 0.000 0.726 997 K HN 0.165 nan 8.250 nan 0.000 0.443 998 Y N -1.627 118.544 120.300 -0.215 0.000 2.444 998 Y HA 0.252 4.803 4.550 0.001 0.000 0.252 998 Y C 1.980 177.625 175.900 -0.426 0.000 1.091 998 Y CA 0.040 57.993 58.100 -0.245 0.000 1.276 998 Y CB 0.741 39.113 38.460 -0.147 0.000 1.170 998 Y HN 0.061 nan 8.280 nan 0.000 0.517 999 G N -0.162 108.239 108.800 -0.665 0.000 2.759 999 G HA2 0.353 4.313 3.960 0.001 0.000 0.208 999 G HA3 0.353 4.313 3.960 0.001 0.000 0.208 999 G C 0.551 174.548 174.900 -1.505 0.000 1.076 999 G CA 0.300 44.617 45.100 -1.305 0.000 0.789 999 G HN 0.265 nan 8.290 nan 0.000 0.546 1000 A N -0.003 122.006 122.820 -1.350 0.000 2.561 1000 A HA 0.463 4.783 4.320 0.001 0.000 0.234 1000 A C 1.807 179.128 177.584 -0.438 0.000 1.055 1000 A CA 1.341 52.942 52.037 -0.727 0.000 0.756 1000 A CB -0.320 18.441 19.000 -0.399 0.000 0.986 1000 A HN 1.748 nan 8.150 nan 0.000 0.505 1001 G N 1.294 109.869 108.800 -0.374 0.000 2.417 1001 G HA2 -0.332 3.628 3.960 0.001 0.000 0.233 1001 G HA3 -0.332 3.628 3.960 0.001 0.000 0.233 1001 G C 1.071 175.836 174.900 -0.224 0.000 1.103 1001 G CA 0.653 45.588 45.100 -0.275 0.000 0.647 1001 G HN 0.765 nan 8.290 nan 0.000 0.512 1002 I N 1.792 122.219 120.570 -0.239 0.000 2.142 1002 I HA 0.078 4.248 4.170 0.001 0.000 0.240 1002 I C 1.687 177.766 176.117 -0.065 0.000 1.078 1002 I CA 2.014 63.234 61.300 -0.134 0.000 1.343 1002 I CB -0.270 37.635 38.000 -0.158 0.000 1.046 1002 I HN 0.588 nan 8.210 nan 0.000 0.405 1003 I N -4.390 116.144 120.570 -0.059 0.000 3.042 1003 I HA 0.355 4.525 4.170 0.001 0.000 0.310 1003 I C 0.236 176.304 176.117 -0.080 0.000 1.117 1003 I CA -0.639 60.678 61.300 0.028 0.000 1.003 1003 I CB 2.043 40.104 38.000 0.101 0.000 1.228 1003 I HN -0.032 nan 8.210 nan 0.000 0.443 1004 H N 1.271 120.374 119.070 0.055 0.000 2.923 1004 H HA 0.288 4.845 4.556 0.001 0.000 0.268 1004 H C -0.009 175.323 175.328 0.006 0.000 1.148 1004 H CA -0.012 56.066 56.048 0.050 0.000 1.146 1004 H CB 0.700 30.458 29.762 -0.006 0.000 1.607 1004 H HN 0.596 nan 8.280 nan 0.000 0.566 1005 N N 1.425 120.161 118.700 0.059 0.000 2.251 1005 N HA 0.090 4.830 4.740 0.001 0.000 0.217 1005 N C -2.402 173.062 175.510 -0.078 0.000 1.124 1005 N CA -1.249 51.793 53.050 -0.013 0.000 0.843 1005 N CB 0.031 38.501 38.487 -0.029 0.000 1.024 1005 N HN 0.258 nan 8.380 nan 0.000 0.501 1006 P HA 0.053 nan 4.420 nan 0.000 0.255 1006 P C -2.469 174.650 177.300 -0.303 0.000 1.173 1006 P CA -0.446 62.434 63.100 -0.367 0.000 0.780 1006 P CB -0.107 31.134 31.700 -0.765 0.000 0.758 1007 P HA 0.242 nan 4.420 nan 0.000 0.275 1007 P C -0.385 176.769 177.300 -0.243 0.000 1.227 1007 P CA 0.076 63.063 63.100 -0.188 0.000 0.781 1007 P CB 0.826 32.445 31.700 -0.135 0.000 0.906 1008 S N 1.698 117.274 115.700 -0.207 0.000 2.533 1008 S HA 0.276 4.747 4.470 0.001 0.000 0.271 1008 S C 0.838 175.318 174.600 -0.200 0.000 1.143 1008 S CA -0.684 57.368 58.200 -0.246 0.000 0.891 1008 S CB 0.587 63.623 63.200 -0.274 0.000 1.105 1008 S HN 0.260 nan 8.310 nan 0.000 0.468 1009 L N 2.811 123.884 121.223 -0.250 0.000 2.127 1009 L HA -0.062 4.279 4.340 0.001 0.000 0.211 1009 L C 1.596 178.437 176.870 -0.048 0.000 1.089 1009 L CA 1.387 56.114 54.840 -0.187 0.000 0.757 1009 L CB -0.535 41.403 42.059 -0.201 0.000 0.899 1009 L HN 0.670 nan 8.230 nan 0.000 0.434 1010 F N 0.317 120.191 119.950 -0.125 0.000 2.408 1010 F HA -0.177 4.350 4.527 0.001 0.000 0.300 1010 F C 2.140 177.906 175.800 -0.056 0.000 1.090 1010 F CA 0.635 58.582 58.000 -0.088 0.000 1.427 1010 F CB -0.807 38.154 39.000 -0.066 0.000 1.070 1010 F HN 0.182 nan 8.300 nan 0.000 0.549 1011 D N -0.596 119.846 120.400 0.071 0.000 2.289 1011 D HA -0.040 4.601 4.640 0.001 0.000 0.207 1011 D C 2.524 178.800 176.300 -0.041 0.000 0.966 1011 D CA 0.535 54.550 54.000 0.024 0.000 0.868 1011 D CB -0.145 40.624 40.800 -0.052 0.000 0.943 1011 D HN 0.085 nan 8.370 nan 0.000 0.514 1012 V N 1.877 121.671 119.914 -0.200 0.000 2.332 1012 V HA -0.197 3.923 4.120 0.001 0.000 0.248 1012 V C -0.640 175.061 176.094 -0.655 0.000 1.055 1012 V CA 1.744 63.729 62.300 -0.525 0.000 1.038 1012 V CB -1.458 29.922 31.823 -0.739 0.000 0.651 1012 V HN 0.155 nan 8.190 nan 0.000 0.450 1013 P HA -0.135 nan 4.420 nan 0.000 0.216 1013 P C 1.233 178.431 177.300 -0.171 0.000 1.150 1013 P CA 1.586 64.503 63.100 -0.304 0.000 0.837 1013 P CB -0.099 31.440 31.700 -0.269 0.000 0.786 1014 H N -1.054 117.986 119.070 -0.050 0.000 2.428 1014 H HA 0.033 4.589 4.556 0.001 0.000 0.296 1014 H C 1.892 177.286 175.328 0.110 0.000 1.062 1014 H CA 0.964 57.034 56.048 0.036 0.000 1.350 1014 H CB -0.265 29.483 29.762 -0.024 0.000 1.403 1014 H HN -0.017 nan 8.280 nan 0.000 0.533 1015 K N -0.050 120.420 120.400 0.117 0.000 2.057 1015 K HA -0.146 4.174 4.320 0.001 0.000 0.207 1015 K C 1.672 178.421 176.600 0.248 0.000 1.049 1015 K CA 0.889 57.243 56.287 0.111 0.000 0.931 1015 K CB -0.238 32.251 32.500 -0.018 0.000 0.714 1015 K HN 0.391 nan 8.250 nan 0.000 0.440 1016 W N 0.466 121.823 121.300 0.095 0.000 2.379 1016 W HA -0.156 4.504 4.660 0.001 0.000 0.307 1016 W C 2.290 178.891 176.519 0.136 0.000 1.200 1016 W CA 0.304 57.692 57.345 0.071 0.000 1.297 1016 W CB -1.434 28.029 29.460 0.005 0.000 1.140 1016 W HN 0.166 nan 8.180 nan 0.000 0.507 1017 Y N 1.607 122.088 120.300 0.302 0.000 2.165 1017 Y HA -0.347 4.204 4.550 0.001 0.000 0.286 1017 Y C 2.730 178.742 175.900 0.187 0.000 1.155 1017 Y CA 2.855 61.126 58.100 0.285 0.000 1.164 1017 Y CB -0.852 37.739 38.460 0.218 0.000 0.978 1017 Y HN 0.053 nan 8.280 nan 0.000 0.513 1018 Q N -0.191 119.837 119.800 0.379 0.000 2.061 1018 Q HA -0.123 4.218 4.340 0.001 0.000 0.204 1018 Q C 2.502 178.551 176.000 0.081 0.000 0.984 1018 Q CA 2.233 58.174 55.803 0.230 0.000 0.846 1018 Q CB -0.819 28.060 28.738 0.234 0.000 0.902 1018 Q HN 0.609 nan 8.270 nan 0.000 0.421 1019 G N -0.257 108.616 108.800 0.121 0.000 2.422 1019 G HA2 -0.237 3.723 3.960 0.001 0.000 0.218 1019 G HA3 -0.237 3.723 3.960 0.001 0.000 0.218 1019 G C 1.396 176.304 174.900 0.014 0.000 1.146 1019 G CA 0.775 45.921 45.100 0.076 0.000 0.769 1019 G HN 0.499 nan 8.290 nan 0.000 0.547 1020 A N -0.228 122.590 122.820 -0.003 0.000 2.014 1020 A HA 0.053 4.373 4.320 0.001 0.000 0.218 1020 A C 2.274 179.762 177.584 -0.160 0.000 1.163 1020 A CA 1.576 53.579 52.037 -0.056 0.000 0.652 1020 A CB -0.213 18.794 19.000 0.012 0.000 0.808 1020 A HN 0.437 nan 8.150 nan 0.000 0.449 1021 Q N -0.430 119.235 119.800 -0.225 0.000 2.033 1021 Q HA -0.126 4.214 4.340 0.001 0.000 0.196 1021 Q C 1.701 177.637 176.000 -0.106 0.000 0.970 1021 Q CA 1.346 57.015 55.803 -0.224 0.000 0.828 1021 Q CB -0.148 28.446 28.738 -0.240 0.000 0.895 1021 Q HN 0.766 nan 8.270 nan 0.000 0.440 1022 E N 0.399 120.565 120.200 -0.056 0.000 2.333 1022 E HA -0.142 4.209 4.350 0.001 0.000 0.198 1022 E C 1.561 178.140 176.600 -0.034 0.000 1.007 1022 E CA 0.678 57.062 56.400 -0.027 0.000 0.845 1022 E CB -0.007 29.694 29.700 0.001 0.000 0.766 1022 E HN 0.268 nan 8.360 nan 0.000 0.507 1023 A N 1.481 124.272 122.820 -0.049 0.000 2.072 1023 A HA 0.252 4.572 4.320 0.001 0.000 0.216 1023 A C 1.428 178.975 177.584 -0.062 0.000 1.156 1023 A CA 0.501 52.509 52.037 -0.049 0.000 0.701 1023 A CB 0.003 18.973 19.000 -0.049 0.000 0.816 1023 A HN 0.230 nan 8.150 nan 0.000 0.458 1024 A N 0.082 122.856 122.820 -0.078 0.000 2.346 1024 A HA 0.495 4.816 4.320 0.001 0.000 0.252 1024 A C 0.245 177.795 177.584 -0.058 0.000 1.089 1024 A CA -0.249 51.739 52.037 -0.083 0.000 0.797 1024 A CB 0.019 18.957 19.000 -0.102 0.000 1.047 1024 A HN 0.258 nan 8.150 nan 0.000 0.494 1025 I N 1.254 121.792 120.570 -0.054 0.000 2.441 1025 I HA 0.267 4.437 4.170 0.001 0.000 0.287 1025 I C 1.169 177.269 176.117 -0.028 0.000 1.049 1025 I CA 0.048 61.326 61.300 -0.036 0.000 1.381 1025 I CB 0.269 38.248 38.000 -0.036 0.000 1.409 1025 I HN 0.736 nan 8.210 nan 0.000 0.523 1026 A N 5.291 128.102 122.820 -0.014 0.000 2.520 1026 A HA 0.216 4.536 4.320 0.001 0.000 0.235 1026 A C 0.607 178.189 177.584 -0.002 0.000 1.065 1026 A CA 0.199 52.233 52.037 -0.004 0.000 0.764 1026 A CB 0.080 19.086 19.000 0.011 0.000 1.002 1026 A HN 0.776 nan 8.150 nan 0.000 0.502 1027 T N -0.353 114.202 114.554 0.001 0.000 2.918 1027 T HA 0.302 4.652 4.350 0.001 0.000 0.283 1027 T C 1.525 176.232 174.700 0.011 0.000 1.001 1027 T CA -0.255 61.846 62.100 0.002 0.000 1.041 1027 T CB 0.686 69.553 68.868 -0.001 0.000 1.028 1027 T HN 0.718 nan 8.240 nan 0.000 0.511 1028 R N 1.073 121.579 120.500 0.010 0.000 2.119 1028 R HA -0.167 4.173 4.340 0.001 0.000 0.246 1028 R C 1.768 178.079 176.300 0.019 0.000 1.146 1028 R CA 2.424 58.534 56.100 0.015 0.000 0.962 1028 R CB -0.131 30.175 30.300 0.011 0.000 0.863 1028 R HN 0.691 nan 8.270 nan 0.000 0.442 1029 E N 0.294 120.503 120.200 0.016 0.000 2.072 1029 E HA -0.167 4.184 4.350 0.001 0.000 0.191 1029 E C 1.851 178.465 176.600 0.024 0.000 0.985 1029 E CA 1.567 57.978 56.400 0.018 0.000 0.801 1029 E CB -0.103 29.605 29.700 0.014 0.000 0.750 1029 E HN 0.465 nan 8.360 nan 0.000 0.452 1030 E N 0.281 120.495 120.200 0.023 0.000 2.085 1030 E HA -0.166 4.184 4.350 0.001 0.000 0.194 1030 E C 2.000 178.624 176.600 0.039 0.000 0.994 1030 E CA 0.853 57.270 56.400 0.028 0.000 0.801 1030 E CB -0.133 29.580 29.700 0.022 0.000 0.743 1030 E HN 0.205 nan 8.360 nan 0.000 0.453 1031 L N 0.173 121.421 121.223 0.042 0.000 2.093 1031 L HA -0.158 4.182 4.340 0.001 0.000 0.208 1031 L C 2.505 179.414 176.870 0.067 0.000 1.085 1031 L CA 0.935 55.812 54.840 0.061 0.000 0.755 1031 L CB -0.367 41.728 42.059 0.061 0.000 0.904 1031 L HN 0.153 nan 8.230 nan 0.000 0.435 1032 A N -0.823 122.027 122.820 0.049 0.000 1.969 1032 A HA -0.175 4.145 4.320 0.001 0.000 0.218 1032 A C 2.270 179.882 177.584 0.046 0.000 1.169 1032 A CA 1.258 53.321 52.037 0.044 0.000 0.635 1032 A CB -0.293 18.724 19.000 0.028 0.000 0.810 1032 A HN 0.277 nan 8.150 nan 0.000 0.445 1033 E N -0.502 119.724 120.200 0.044 0.000 2.152 1033 E HA -0.145 4.206 4.350 0.001 0.000 0.192 1033 E C 1.941 178.574 176.600 0.054 0.000 0.983 1033 E CA 1.041 57.467 56.400 0.042 0.000 0.818 1033 E CB -0.289 29.432 29.700 0.036 0.000 0.758 1033 E HN 0.716 nan 8.360 nan 0.000 0.467 1034 M N 0.653 120.293 119.600 0.066 0.000 2.117 1034 M HA -0.189 4.291 4.480 0.001 0.000 0.262 1034 M C 1.092 177.453 176.300 0.102 0.000 1.065 1034 M CA 1.685 57.035 55.300 0.083 0.000 1.114 1034 M CB 0.056 32.713 32.600 0.095 0.000 1.361 1034 M HN -0.140 nan 8.290 nan 0.000 0.408 1035 D N 0.257 120.723 120.400 0.110 0.000 2.097 1035 D HA -0.183 4.457 4.640 0.001 0.000 0.197 1035 D C 1.868 178.216 176.300 0.081 0.000 0.984 1035 D CA 1.359 55.431 54.000 0.119 0.000 0.826 1035 D CB -0.445 40.417 40.800 0.104 0.000 0.973 1035 D HN 0.409 nan 8.370 nan 0.000 0.460 1036 E N 0.447 120.683 120.200 0.060 0.000 2.118 1036 E HA -0.126 4.224 4.350 0.001 0.000 0.195 1036 E C 1.849 178.477 176.600 0.046 0.000 0.992 1036 E CA 1.319 57.747 56.400 0.046 0.000 0.804 1036 E CB -0.450 29.271 29.700 0.036 0.000 0.741 1036 E HN 0.108 nan 8.360 nan 0.000 0.458 1037 T N 0.833 115.417 114.554 0.051 0.000 2.788 1037 T HA -0.078 4.272 4.350 0.001 0.000 0.268 1037 T C 1.814 176.544 174.700 0.049 0.000 1.044 1037 T CA 1.031 63.158 62.100 0.046 0.000 1.139 1037 T CB -0.232 68.666 68.868 0.050 0.000 0.867 1037 T HN 0.133 nan 8.240 nan 0.000 0.454 1038 L N 0.334 121.590 121.223 0.055 0.000 1.994 1038 L HA -0.082 4.258 4.340 0.001 0.000 0.208 1038 L C 2.567 179.453 176.870 0.027 0.000 1.071 1038 L CA 1.155 56.010 54.840 0.026 0.000 0.745 1038 L CB -0.314 41.763 42.059 0.030 0.000 0.892 1038 L HN 0.268 nan 8.230 nan 0.000 0.431 1039 M N -0.978 118.650 119.600 0.046 0.000 2.213 1039 M HA -0.225 4.255 4.480 0.001 0.000 0.263 1039 M C 2.217 178.554 176.300 0.061 0.000 1.062 1039 M CA 1.446 56.778 55.300 0.053 0.000 1.105 1039 M CB -1.325 31.306 32.600 0.052 0.000 1.385 1039 M HN 0.221 nan 8.290 nan 0.000 0.417 1040 R N 0.012 120.546 120.500 0.056 0.000 2.075 1040 R HA -0.048 4.292 4.340 0.001 0.000 0.232 1040 R C 2.123 178.475 176.300 0.087 0.000 1.126 1040 R CA 1.487 57.621 56.100 0.058 0.000 0.963 1040 R CB -0.119 30.203 30.300 0.036 0.000 0.858 1040 R HN 0.319 nan 8.270 nan 0.000 0.435 1041 A N 0.712 123.590 122.820 0.097 0.000 2.015 1041 A HA -0.145 4.175 4.320 0.001 0.000 0.219 1041 A C 2.111 179.847 177.584 0.253 0.000 1.163 1041 A CA 1.155 53.300 52.037 0.180 0.000 0.646 1041 A CB -0.440 18.651 19.000 0.151 0.000 0.806 1041 A HN 0.320 nan 8.150 nan 0.000 0.448 1042 R N -0.723 119.876 120.500 0.164 0.000 2.161 1042 R HA 0.051 4.391 4.340 0.001 0.000 0.213 1042 R C 2.066 178.463 176.300 0.162 0.000 1.055 1042 R CA 0.751 56.954 56.100 0.173 0.000 0.996 1042 R CB -0.099 30.268 30.300 0.112 0.000 0.901 1042 R HN 0.483 nan 8.270 nan 0.000 0.456 1043 R N -0.851 119.723 120.500 0.123 0.000 2.140 1043 R HA 0.021 4.362 4.340 0.001 0.000 0.213 1043 R C 0.841 177.167 176.300 0.043 0.000 1.059 1043 R CA 0.056 56.204 56.100 0.080 0.000 1.000 1043 R CB -0.202 30.133 30.300 0.058 0.000 0.910 1043 R HN 0.243 nan 8.270 nan 0.000 0.455 1044 H N 0.749 119.769 119.070 -0.083 0.000 2.852 1044 H HA 0.036 4.593 4.556 0.001 0.000 0.362 1044 H C -0.702 174.386 175.328 -0.399 0.000 1.122 1044 H CA 0.802 56.685 56.048 -0.275 0.000 1.419 1044 H CB 1.099 30.620 29.762 -0.401 0.000 1.401 1044 H HN -0.046 nan 8.280 nan 0.000 0.609 1045 S N 3.774 118.947 115.700 -0.878 0.000 2.454 1045 S HA 0.412 4.882 4.470 0.001 0.000 0.306 1045 S C -1.309 172.884 174.600 -0.679 0.000 1.100 1045 S CA -0.579 57.306 58.200 -0.525 0.000 1.087 1045 S CB 0.176 63.186 63.200 -0.317 0.000 1.019 1045 S HN 0.494 nan 8.310 nan 0.000 0.480 1046 Y N 1.693 121.984 120.300 -0.015 0.000 2.596 1046 Y HA 0.500 5.050 4.550 0.001 0.000 0.326 1046 Y C 1.497 177.264 175.900 -0.222 0.000 1.167 1046 Y CA -0.623 57.389 58.100 -0.147 0.000 1.246 1046 Y CB 1.659 39.935 38.460 -0.308 0.000 1.347 1046 Y HN 0.732 nan 8.280 nan 0.000 0.515 1047 S N -1.606 114.016 115.700 -0.130 0.000 2.847 1047 S HA 0.440 4.910 4.470 0.001 0.000 0.254 1047 S C -0.369 174.191 174.600 -0.067 0.000 1.039 1047 S CA 0.223 58.384 58.200 -0.065 0.000 1.113 1047 S CB -0.261 62.927 63.200 -0.019 0.000 1.092 1047 S HN 0.769 nan 8.310 nan 0.000 0.620 1048 S N -0.320 115.147 115.700 -0.388 0.000 2.645 1048 S HA 0.681 5.151 4.470 0.001 0.000 0.268 1048 S C -1.056 173.367 174.600 -0.296 0.000 1.110 1048 S CA -0.953 57.148 58.200 -0.165 0.000 0.823 1048 S CB -0.155 63.099 63.200 0.090 0.000 1.091 1048 S HN 0.063 nan 8.310 nan 0.000 0.466 1049 F N 2.423 122.420 119.950 0.080 0.000 2.213 1049 F HA 0.646 5.173 4.527 0.001 0.000 0.297 1049 F C 1.796 177.713 175.800 0.194 0.000 1.094 1049 F CA 0.222 58.180 58.000 -0.070 0.000 1.121 1049 F CB 0.178 39.010 39.000 -0.279 0.000 1.622 1049 F HN 0.898 nan 8.300 nan 0.000 0.521 1050 S N 0.050 116.067 115.700 0.529 0.000 2.580 1050 S HA 0.062 4.532 4.470 0.001 0.000 0.266 1050 S C 0.790 175.530 174.600 0.232 0.000 1.354 1050 S CA -0.508 57.931 58.200 0.398 0.000 1.008 1050 S CB 0.496 63.904 63.200 0.346 0.000 0.898 1050 S HN 0.588 nan 8.310 nan 0.000 0.555 1051 K N 0.045 120.570 120.400 0.209 0.000 2.097 1051 K HA -0.045 4.275 4.320 0.001 0.000 0.206 1051 K C 1.760 178.333 176.600 -0.045 0.000 1.049 1051 K CA 0.880 57.253 56.287 0.143 0.000 0.933 1051 K CB -0.394 32.276 32.500 0.284 0.000 0.717 1051 K HN 0.372 nan 8.250 nan 0.000 0.442 1052 L N 0.720 121.802 121.223 -0.234 0.000 2.027 1052 L HA -0.136 4.204 4.340 0.001 0.000 0.206 1052 L C 2.150 178.559 176.870 -0.769 0.000 1.074 1052 L CA 1.310 55.799 54.840 -0.586 0.000 0.745 1052 L CB -0.873 40.708 42.059 -0.796 0.000 0.898 1052 L HN 0.159 nan 8.230 nan 0.000 0.433 1053 L N -0.533 120.466 121.223 -0.374 0.000 2.093 1053 L HA -0.134 4.207 4.340 0.001 0.000 0.208 1053 L C 2.416 179.239 176.870 -0.078 0.000 1.085 1053 L CA 1.624 56.345 54.840 -0.198 0.000 0.755 1053 L CB -0.760 41.283 42.059 -0.027 0.000 0.904 1053 L HN 0.246 nan 8.230 nan 0.000 0.435 1054 E N -0.064 120.136 120.200 -0.000 0.000 2.204 1054 E HA -0.155 4.196 4.350 0.001 0.000 0.195 1054 E C 2.140 178.723 176.600 -0.029 0.000 0.990 1054 E CA 1.221 57.654 56.400 0.055 0.000 0.821 1054 E CB -0.314 29.443 29.700 0.096 0.000 0.750 1054 E HN 0.634 nan 8.360 nan 0.000 0.477 1055 A N 0.194 122.926 122.820 -0.146 0.000 1.930 1055 A HA -0.109 4.212 4.320 0.001 0.000 0.215 1055 A C 1.835 179.404 177.584 -0.024 0.000 1.176 1055 A CA 0.649 52.561 52.037 -0.209 0.000 0.632 1055 A CB -0.545 18.167 19.000 -0.479 0.000 0.819 1055 A HN 0.152 nan 8.150 nan 0.000 0.445 1056 Y N 0.291 120.601 120.300 0.017 0.000 2.224 1056 Y HA -0.059 4.492 4.550 0.001 0.000 0.289 1056 Y C 2.011 177.908 175.900 -0.006 0.000 1.146 1056 Y CA 0.438 58.466 58.100 -0.119 0.000 1.182 1056 Y CB -1.034 37.159 38.460 -0.444 0.000 0.983 1056 Y HN 0.172 nan 8.280 nan 0.000 0.524 1057 L N -0.438 120.956 121.223 0.284 0.000 2.450 1057 L HA -0.194 4.147 4.340 0.001 0.000 0.224 1057 L C 1.777 178.722 176.870 0.125 0.000 1.149 1057 L CA 0.724 55.722 54.840 0.264 0.000 0.816 1057 L CB -0.471 41.636 42.059 0.081 0.000 0.932 1057 L HN 0.265 nan 8.230 nan 0.000 0.449 1058 L N -1.058 120.224 121.223 0.098 0.000 2.478 1058 L HA 0.018 4.359 4.340 0.001 0.000 0.223 1058 L C 0.507 177.428 176.870 0.084 0.000 1.140 1058 L CA -0.078 54.800 54.840 0.063 0.000 0.842 1058 L CB -0.029 42.062 42.059 0.053 0.000 0.953 1058 L HN -0.033 nan 8.230 nan 0.000 0.452 1059 V N 1.076 121.076 119.914 0.143 0.000 2.383 1059 V HA 0.205 4.325 4.120 0.001 0.000 0.275 1059 V C -0.012 176.170 176.094 0.146 0.000 1.036 1059 V CA -0.566 61.788 62.300 0.089 0.000 0.889 1059 V CB 1.115 33.021 31.823 0.140 0.000 0.985 1059 V HN 0.190 nan 8.190 nan 0.000 0.459 1060 K N 3.845 124.198 120.400 -0.077 0.000 2.267 1060 K HA 0.701 5.022 4.320 0.001 0.000 0.246 1060 K C -1.432 175.034 176.600 -0.224 0.000 0.954 1060 K CA -0.556 55.733 56.287 0.003 0.000 0.824 1060 K CB 2.230 34.740 32.500 0.017 0.000 1.167 1060 K HN 0.541 nan 8.250 nan 0.000 0.431 1061 W N 0.329 121.699 121.300 0.117 0.000 3.017 1061 W HA 0.526 5.186 4.660 0.001 0.000 0.341 1061 W C -0.485 176.102 176.519 0.114 0.000 1.180 1061 W CA -0.808 56.612 57.345 0.126 0.000 1.097 1061 W CB 1.229 30.771 29.460 0.138 0.000 1.468 1061 W HN 0.197 nan 8.180 nan 0.000 0.584 1062 R N 1.492 122.247 120.500 0.424 0.000 2.502 1062 R HA 0.504 4.845 4.340 0.001 0.000 0.300 1062 R C -0.722 175.765 176.300 0.312 0.000 0.984 1062 R CA -0.740 55.530 56.100 0.285 0.000 0.882 1062 R CB 1.562 31.984 30.300 0.202 0.000 1.180 1062 R HN 0.336 nan 8.270 nan 0.000 0.444 1063 M N 2.832 122.566 119.600 0.222 0.000 2.144 1063 M HA 0.302 4.782 4.480 0.001 0.000 0.356 1063 M C -0.191 176.208 176.300 0.165 0.000 1.217 1063 M CA -0.334 55.078 55.300 0.187 0.000 1.087 1063 M CB 1.069 33.741 32.600 0.120 0.000 1.609 1063 M HN 0.687 nan 8.290 nan 0.000 0.467 1064 C N 0.642 120.064 119.300 0.202 0.000 3.933 1064 C HA 0.382 4.842 4.460 0.001 0.000 0.208 1064 C C 0.071 175.133 174.990 0.120 0.000 3.191 1064 C CA -0.630 58.479 59.018 0.153 0.000 1.883 1064 C CB 0.502 28.343 27.740 0.168 0.000 3.793 1064 C HN 0.740 nan 8.230 nan 0.000 0.469 1065 E N 1.462 121.735 120.200 0.122 0.000 2.481 1065 E HA 0.363 4.714 4.350 0.001 0.000 0.263 1065 E C -0.025 176.614 176.600 0.065 0.000 0.992 1065 E CA 0.334 56.784 56.400 0.084 0.000 0.938 1065 E CB 0.006 29.758 29.700 0.088 0.000 0.933 1065 E HN 0.703 nan 8.360 nan 0.000 0.453 1066 A N 3.577 126.412 122.820 0.025 0.000 2.407 1066 A HA 0.251 4.572 4.320 0.001 0.000 0.248 1066 A C 0.110 177.680 177.584 -0.023 0.000 1.082 1066 A CA -0.383 51.646 52.037 -0.013 0.000 0.785 1066 A CB 0.336 19.318 19.000 -0.029 0.000 1.020 1066 A HN 0.541 nan 8.150 nan 0.000 0.489 1067 R N 1.066 121.522 120.500 -0.075 0.000 2.641 1067 R HA 0.214 4.554 4.340 0.001 0.000 0.269 1067 R C -0.099 176.139 176.300 -0.103 0.000 1.074 1067 R CA -0.467 55.568 56.100 -0.108 0.000 1.133 1067 R CB 0.445 30.578 30.300 -0.278 0.000 1.029 1067 R HN 0.699 nan 8.270 nan 0.000 0.488 1068 E N 2.026 122.178 120.200 -0.079 0.000 2.374 1068 E HA 0.147 4.498 4.350 0.001 0.000 0.260 1068 E C -2.108 174.426 176.600 -0.109 0.000 1.101 1068 E CA -1.844 54.516 56.400 -0.067 0.000 0.907 1068 E CB 0.314 29.995 29.700 -0.032 0.000 1.014 1068 E HN 0.304 nan 8.360 nan 0.000 0.427 1069 P HA 0.057 nan 4.420 nan 0.000 0.268 1069 P C 0.067 177.290 177.300 -0.128 0.000 1.204 1069 P CA 0.325 63.345 63.100 -0.134 0.000 0.768 1069 P CB 0.624 32.263 31.700 -0.103 0.000 0.842 1070 S N 0.535 116.125 115.700 -0.184 0.000 2.478 1070 S HA 0.116 4.587 4.470 0.001 0.000 0.222 1070 S C 0.757 175.220 174.600 -0.228 0.000 1.008 1070 S CA 0.105 58.201 58.200 -0.173 0.000 0.928 1070 S CB -0.093 62.976 63.200 -0.219 0.000 0.781 1070 S HN 0.495 nan 8.310 nan 0.000 0.518 1071 V N -1.017 118.721 119.914 -0.293 0.000 2.971 1071 V HA 0.500 4.621 4.120 0.001 0.000 0.309 1071 V C -0.973 175.020 176.094 -0.167 0.000 1.130 1071 V CA -1.440 60.605 62.300 -0.425 0.000 0.964 1071 V CB 1.612 33.028 31.823 -0.678 0.000 1.029 1071 V HN -0.031 nan 8.190 nan 0.000 0.427 1072 D N 1.515 121.904 120.400 -0.017 0.000 2.533 1072 D HA 0.023 4.663 4.640 0.001 0.000 0.236 1072 D C 0.796 177.127 176.300 0.051 0.000 1.137 1072 D CA 0.197 54.215 54.000 0.030 0.000 0.867 1072 D CB 1.384 42.220 40.800 0.060 0.000 1.170 1072 D HN 0.553 nan 8.370 nan 0.000 0.474 1073 L N 4.137 125.411 121.223 0.086 0.000 2.465 1073 L HA -0.057 4.284 4.340 0.001 0.000 0.224 1073 L C 2.088 179.243 176.870 0.475 0.000 1.145 1073 L CA 1.109 56.102 54.840 0.255 0.000 0.834 1073 L CB -0.375 41.816 42.059 0.219 0.000 0.944 1073 L HN 0.327 nan 8.230 nan 0.000 0.451 1074 R N -1.053 119.602 120.500 0.258 0.000 2.317 1074 R HA 0.184 4.524 4.340 0.001 0.000 0.208 1074 R C -0.132 176.178 176.300 0.016 0.000 0.914 1074 R CA -0.123 56.096 56.100 0.198 0.000 1.060 1074 R CB 0.018 30.347 30.300 0.047 0.000 1.015 1074 R HN 0.013 nan 8.270 nan 0.000 0.498 1075 L N 2.190 123.517 121.223 0.173 0.000 2.257 1075 L HA 0.413 4.753 4.340 0.001 0.000 0.290 1075 L C -2.572 174.420 176.870 0.204 0.000 1.044 1075 L CA -2.815 52.100 54.840 0.125 0.000 0.810 1075 L CB 0.851 43.002 42.059 0.153 0.000 1.193 1075 L HN -0.129 nan 8.230 nan 0.000 0.425 1076 P HA 0.154 nan 4.420 nan 0.000 0.282 1076 P C -0.082 177.372 177.300 0.256 0.000 1.274 1076 P CA -0.220 63.001 63.100 0.202 0.000 0.770 1076 P CB 0.904 32.583 31.700 -0.036 0.000 0.867 1077 L N 1.847 123.233 121.223 0.272 0.000 2.577 1077 L HA 0.221 4.562 4.340 0.001 0.000 0.225 1077 L C 0.504 177.488 176.870 0.191 0.000 1.053 1077 L CA 0.787 55.745 54.840 0.197 0.000 0.866 1077 L CB -0.098 42.036 42.059 0.126 0.000 1.132 1077 L HN 0.371 nan 8.230 nan 0.000 0.486 1078 C N 1.467 120.884 119.300 0.196 0.000 2.571 1078 C HA 0.750 5.210 4.460 0.001 0.000 0.343 1078 C C 0.581 175.653 174.990 0.138 0.000 1.082 1078 C CA -1.252 57.852 59.018 0.143 0.000 1.339 1078 C CB 0.094 27.911 27.740 0.128 0.000 1.893 1078 C HN 0.430 nan 8.230 nan 0.000 0.445 1079 A N 3.865 126.740 122.820 0.091 0.000 2.565 1079 A HA 0.453 4.774 4.320 0.001 0.000 0.237 1079 A C 1.571 179.177 177.584 0.036 0.000 1.053 1079 A CA 1.403 53.477 52.037 0.061 0.000 0.755 1079 A CB -0.334 18.663 19.000 -0.005 0.000 0.980 1079 A HN 2.619 nan 8.150 nan 0.000 0.506 1080 G N 1.233 110.053 108.800 0.033 0.000 2.258 1080 G HA2 -0.215 3.745 3.960 0.001 0.000 0.233 1080 G HA3 -0.215 3.745 3.960 0.001 0.000 0.233 1080 G C 0.225 175.148 174.900 0.038 0.000 1.006 1080 G CA 0.217 45.322 45.100 0.009 0.000 0.620 1080 G HN 0.936 nan 8.290 nan 0.000 0.511 1081 I N 3.168 123.792 120.570 0.090 0.000 2.316 1081 I HA 0.434 4.605 4.170 0.001 0.000 0.286 1081 I C -0.119 176.062 176.117 0.107 0.000 1.107 1081 I CA -0.349 61.035 61.300 0.140 0.000 1.219 1081 I CB 0.356 38.479 38.000 0.206 0.000 1.455 1081 I HN 0.394 nan 8.210 nan 0.000 0.498 1082 D N 4.917 125.196 120.400 -0.201 0.000 2.732 1082 D HA 0.397 5.038 4.640 0.001 0.000 0.292 1082 D C -2.418 173.120 176.300 -1.270 0.000 1.135 1082 D CA -1.936 51.489 54.000 -0.958 0.000 1.071 1082 D CB 0.553 40.838 40.800 -0.858 0.000 1.457 1082 D HN -0.153 nan 8.370 nan 0.000 0.547 1083 P HA -0.020 nan 4.420 nan 0.000 0.224 1083 P C 0.884 177.885 177.300 -0.497 0.000 1.142 1083 P CA 0.997 63.444 63.100 -1.090 0.000 0.778 1083 P CB 0.103 31.300 31.700 -0.837 0.000 0.764 1084 L N -2.342 118.634 121.223 -0.413 0.000 2.509 1084 L HA 0.090 4.430 4.340 0.001 0.000 0.222 1084 L C 0.989 177.781 176.870 -0.131 0.000 1.123 1084 L CA 0.460 55.168 54.840 -0.219 0.000 0.856 1084 L CB -0.267 41.687 42.059 -0.175 0.000 0.985 1084 L HN -0.091 nan 8.230 nan 0.000 0.456 1085 N N -0.329 118.307 118.700 -0.108 0.000 2.886 1085 N HA 0.044 4.784 4.740 0.001 0.000 0.285 1085 N C 1.166 176.732 175.510 0.093 0.000 1.706 1085 N CA 0.218 53.301 53.050 0.055 0.000 0.904 1085 N CB 0.473 38.998 38.487 0.062 0.000 1.224 1085 N HN 0.097 nan 8.380 nan 0.000 0.488 1086 S N 0.770 116.546 115.700 0.126 0.000 2.412 1086 S HA -0.331 4.139 4.470 0.001 0.000 0.246 1086 S C 1.588 176.118 174.600 -0.117 0.000 1.073 1086 S CA 1.964 60.211 58.200 0.078 0.000 1.186 1086 S CB -0.702 62.580 63.200 0.137 0.000 1.084 1086 S HN 0.534 nan 8.310 nan 0.000 0.434 1087 D N 2.985 123.038 120.400 -0.577 0.000 2.087 1087 D HA -0.024 4.617 4.640 0.001 0.000 0.192 1087 D C -0.589 175.444 176.300 -0.444 0.000 0.993 1087 D CA 1.674 55.145 54.000 -0.883 0.000 0.828 1087 D CB -1.118 38.470 40.800 -2.020 0.000 0.968 1087 D HN 0.398 nan 8.370 nan 0.000 0.448 1088 P HA -0.079 nan 4.420 nan 0.000 0.215 1088 P C 1.316 178.666 177.300 0.083 0.000 1.153 1088 P CA 0.875 64.020 63.100 0.075 0.000 0.853 1088 P CB -0.216 31.595 31.700 0.184 0.000 0.788 1089 F N 0.185 120.076 119.950 -0.099 0.000 2.146 1089 F HA -0.128 4.400 4.527 0.001 0.000 0.298 1089 F C 1.911 177.635 175.800 -0.127 0.000 1.096 1089 F CA 1.447 59.380 58.000 -0.111 0.000 1.275 1089 F CB -0.891 38.009 39.000 -0.167 0.000 1.008 1089 F HN -0.260 nan 8.300 nan 0.000 0.480 1090 L N -0.161 120.940 121.223 -0.203 0.000 2.056 1090 L HA -0.176 4.164 4.340 0.001 0.000 0.207 1090 L C 2.539 179.216 176.870 -0.321 0.000 1.078 1090 L CA 0.953 55.616 54.840 -0.296 0.000 0.749 1090 L CB -0.757 41.209 42.059 -0.156 0.000 0.901 1090 L HN -0.025 nan 8.230 nan 0.000 0.433 1091 K N -0.142 120.101 120.400 -0.262 0.000 2.057 1091 K HA -0.183 4.138 4.320 0.001 0.000 0.207 1091 K C 2.057 178.449 176.600 -0.347 0.000 1.049 1091 K CA 1.473 57.573 56.287 -0.311 0.000 0.931 1091 K CB -0.412 31.900 32.500 -0.312 0.000 0.714 1091 K HN 0.158 nan 8.250 nan 0.000 0.440 1092 M N 0.821 120.245 119.600 -0.294 0.000 2.080 1092 M HA -0.124 4.357 4.480 0.001 0.000 0.260 1092 M C 1.890 177.977 176.300 -0.355 0.000 1.068 1092 M CA 1.505 56.638 55.300 -0.278 0.000 1.109 1092 M CB -0.425 32.064 32.600 -0.185 0.000 1.342 1092 M HN -0.120 nan 8.290 nan 0.000 0.405 1093 V N 0.062 119.686 119.914 -0.482 0.000 2.379 1093 V HA -0.200 3.920 4.120 0.001 0.000 0.245 1093 V C 2.496 178.375 176.094 -0.359 0.000 1.044 1093 V CA 1.889 63.903 62.300 -0.476 0.000 1.036 1093 V CB -1.142 30.282 31.823 -0.666 0.000 0.664 1093 V HN 0.742 nan 8.190 nan 0.000 0.453 1094 S N -0.354 115.139 115.700 -0.343 0.000 2.348 1094 S HA -0.100 4.370 4.470 0.001 0.000 0.219 1094 S C 1.932 176.329 174.600 -0.337 0.000 1.033 1094 S CA 1.376 59.392 58.200 -0.307 0.000 0.974 1094 S CB -0.407 62.623 63.200 -0.282 0.000 0.868 1094 S HN 0.280 nan 8.310 nan 0.000 0.459 1095 V N 1.758 121.458 119.914 -0.358 0.000 2.488 1095 V HA 0.292 4.412 4.120 0.001 0.000 0.246 1095 V C 1.492 177.393 176.094 -0.321 0.000 1.046 1095 V CA 0.920 62.998 62.300 -0.371 0.000 1.053 1095 V CB -1.671 29.897 31.823 -0.425 0.000 0.679 1095 V HN 0.989 nan 8.190 nan 0.000 0.458 1096 G N 0.972 109.587 108.800 -0.308 0.000 2.719 1096 G HA2 -0.094 3.866 3.960 0.001 0.000 0.686 1096 G HA3 -0.094 3.866 3.960 0.001 0.000 0.686 1096 G C -2.811 171.944 174.900 -0.242 0.000 1.201 1096 G CA -0.481 44.452 45.100 -0.279 0.000 0.768 1096 G HN 0.282 nan 8.290 nan 0.000 0.629 1097 P HA 0.400 nan 4.420 nan 0.000 0.272 1097 P C 0.060 177.273 177.300 -0.145 0.000 1.223 1097 P CA -0.458 62.554 63.100 -0.147 0.000 0.784 1097 P CB 0.991 32.624 31.700 -0.112 0.000 0.923 1098 M N 3.479 123.007 119.600 -0.120 0.000 2.194 1098 M HA 0.127 4.607 4.480 0.001 0.000 0.347 1098 M C -0.328 175.919 176.300 -0.088 0.000 1.439 1098 M CA 0.451 55.658 55.300 -0.156 0.000 1.131 1098 M CB -0.816 31.719 32.600 -0.108 0.000 1.733 1098 M HN 0.219 nan 8.290 nan 0.000 0.467 1099 L N 4.385 125.566 121.223 -0.070 0.000 2.791 1099 L HA 0.344 4.685 4.340 0.001 0.000 0.239 1099 L C 0.171 177.128 176.870 0.145 0.000 1.203 1099 L CA -0.126 54.734 54.840 0.033 0.000 1.002 1099 L CB -0.418 41.688 42.059 0.078 0.000 1.295 1099 L HN 0.761 nan 8.230 nan 0.000 0.504 1100 Q N -0.028 119.817 119.800 0.075 0.000 2.389 1100 Q HA 0.290 4.630 4.340 0.001 0.000 0.277 1100 Q C -0.414 175.666 176.000 0.134 0.000 1.082 1100 Q CA -0.528 55.363 55.803 0.146 0.000 0.810 1100 Q CB 2.359 31.159 28.738 0.102 0.000 1.374 1100 Q HN 0.062 nan 8.270 nan 0.000 0.422 1101 S N 1.095 116.916 115.700 0.202 0.000 2.575 1101 S HA -0.039 4.431 4.470 0.001 0.000 0.295 1101 S C 1.168 175.875 174.600 0.178 0.000 1.267 1101 S CA 0.674 58.972 58.200 0.162 0.000 1.074 1101 S CB 0.518 63.831 63.200 0.187 0.000 0.829 1101 S HN 0.771 nan 8.310 nan 0.000 0.497 1102 T N 3.238 117.900 114.554 0.180 0.000 2.962 1102 T HA -0.098 4.252 4.350 0.001 0.000 0.270 1102 T C 1.739 176.674 174.700 0.391 0.000 1.088 1102 T CA 0.997 63.267 62.100 0.283 0.000 1.127 1102 T CB -0.230 68.847 68.868 0.347 0.000 0.883 1102 T HN 0.717 nan 8.240 nan 0.000 0.493 1103 R N 0.879 121.543 120.500 0.274 0.000 2.073 1103 R HA 0.043 4.384 4.340 0.001 0.000 0.229 1103 R C 2.277 178.721 176.300 0.239 0.000 1.120 1103 R CA 0.789 57.042 56.100 0.255 0.000 0.967 1103 R CB 0.003 30.402 30.300 0.165 0.000 0.862 1103 R HN 0.189 nan 8.270 nan 0.000 0.436 1104 K N -0.420 120.108 120.400 0.214 0.000 2.228 1104 K HA -0.140 4.180 4.320 0.001 0.000 0.202 1104 K C 1.765 178.441 176.600 0.127 0.000 1.051 1104 K CA 0.842 57.231 56.287 0.169 0.000 0.960 1104 K CB -0.236 32.374 32.500 0.183 0.000 0.743 1104 K HN 0.270 nan 8.250 nan 0.000 0.458 1105 Y N 0.384 120.696 120.300 0.021 0.000 2.153 1105 Y HA -0.173 4.377 4.550 0.001 0.000 0.289 1105 Y C 1.854 177.689 175.900 -0.108 0.000 1.127 1105 Y CA 1.493 59.528 58.100 -0.108 0.000 1.131 1105 Y CB -0.324 37.978 38.460 -0.264 0.000 0.995 1105 Y HN -0.147 nan 8.280 nan 0.000 0.505 1106 F N 0.195 120.281 119.950 0.227 0.000 2.365 1106 F HA -0.005 4.523 4.527 0.001 0.000 0.300 1106 F C 2.469 178.274 175.800 0.008 0.000 1.090 1106 F CA 0.871 58.942 58.000 0.118 0.000 1.408 1106 F CB -1.010 38.113 39.000 0.206 0.000 1.060 1106 F HN 0.173 nan 8.300 nan 0.000 0.534 1107 A N -0.779 122.141 122.820 0.167 0.000 2.121 1107 A HA -0.139 4.181 4.320 0.001 0.000 0.218 1107 A C 1.995 179.589 177.584 0.018 0.000 1.154 1107 A CA 1.024 53.121 52.037 0.100 0.000 0.679 1107 A CB -0.379 18.684 19.000 0.105 0.000 0.795 1107 A HN 0.243 nan 8.150 nan 0.000 0.458 1108 Q N -0.459 119.302 119.800 -0.066 0.000 2.403 1108 Q HA -0.010 4.330 4.340 0.001 0.000 0.203 1108 Q C 1.174 177.086 176.000 -0.146 0.000 0.932 1108 Q CA 1.300 57.029 55.803 -0.123 0.000 0.945 1108 Q CB -0.167 28.447 28.738 -0.206 0.000 1.045 1108 Q HN 0.790 nan 8.270 nan 0.000 0.511 1109 T N -2.830 111.665 114.554 -0.098 0.000 3.176 1109 T HA 0.463 4.813 4.350 0.001 0.000 0.263 1109 T C 0.421 175.025 174.700 -0.159 0.000 1.021 1109 T CA -0.135 61.908 62.100 -0.095 0.000 0.905 1109 T CB -0.103 68.805 68.868 0.068 0.000 1.057 1109 T HN -0.070 nan 8.240 nan 0.000 0.558 1110 L N 0.010 121.132 121.223 -0.168 0.000 2.388 1110 L HA 0.546 4.886 4.340 0.001 0.000 0.264 1110 L C 0.189 176.949 176.870 -0.184 0.000 0.998 1110 L CA -1.246 53.483 54.840 -0.186 0.000 0.817 1110 L CB 1.701 43.738 42.059 -0.036 0.000 1.338 1110 L HN -0.068 nan 8.230 nan 0.000 0.414 1111 F N 0.659 120.622 119.950 0.021 0.000 2.293 1111 F HA 0.202 4.730 4.527 0.001 0.000 0.297 1111 F C 0.751 176.559 175.800 0.014 0.000 1.089 1111 F CA 0.697 58.705 58.000 0.014 0.000 1.377 1111 F CB 0.115 39.120 39.000 0.008 0.000 1.051 1111 F HN 0.246 nan 8.300 nan 0.000 0.511 1112 M N -1.037 118.668 119.600 0.175 0.000 2.151 1112 M HA 0.408 4.889 4.480 0.001 0.000 0.290 1112 M C 0.909 177.252 176.300 0.073 0.000 0.965 1112 M CA -0.541 54.824 55.300 0.108 0.000 0.930 1112 M CB 2.004 34.659 32.600 0.092 0.000 1.560 1112 M HN -0.016 nan 8.290 nan 0.000 0.438 1113 A N 4.138 126.998 122.820 0.066 0.000 1.884 1113 A HA -0.148 4.172 4.320 0.001 0.000 0.219 1113 A C 0.777 178.396 177.584 0.059 0.000 1.197 1113 A CA 1.766 53.840 52.037 0.061 0.000 0.637 1113 A CB -0.163 18.874 19.000 0.060 0.000 0.827 1113 A HN 0.790 nan 8.150 nan 0.000 0.450 1114 K N -3.503 116.933 120.400 0.060 0.000 2.466 1114 K HA 0.689 5.009 4.320 0.001 0.000 0.260 1114 K C -0.698 175.931 176.600 0.048 0.000 1.011 1114 K CA -0.354 55.966 56.287 0.055 0.000 0.871 1114 K CB 1.649 34.188 32.500 0.065 0.000 1.404 1114 K HN 0.073 nan 8.250 nan 0.000 0.450 1115 T N -0.602 113.973 114.554 0.035 0.000 2.647 1115 T HA 0.315 4.665 4.350 0.001 0.000 0.295 1115 T C -1.093 173.615 174.700 0.014 0.000 1.126 1115 T CA -0.653 61.458 62.100 0.019 0.000 1.040 1115 T CB 1.457 70.328 68.868 0.004 0.000 1.472 1115 T HN 0.367 nan 8.240 nan 0.000 0.500 1116 V N 2.607 122.521 119.914 0.000 0.000 2.763 1116 V HA 0.235 4.356 4.120 0.001 0.000 0.306 1116 V C 0.974 177.104 176.094 0.060 0.000 1.059 1116 V CA 0.113 62.424 62.300 0.018 0.000 1.138 1116 V CB 1.316 33.133 31.823 -0.011 0.000 0.940 1116 V HN 0.895 nan 8.190 nan 0.000 0.489 1117 S N 3.310 119.084 115.700 0.122 0.000 2.498 1117 S HA 0.440 4.910 4.470 0.001 0.000 0.281 1117 S C 1.033 175.809 174.600 0.294 0.000 1.265 1117 S CA 0.574 58.878 58.200 0.173 0.000 1.071 1117 S CB -0.175 63.122 63.200 0.161 0.000 0.894 1117 S HN 1.496 nan 8.310 nan 0.000 0.491 1118 G N 3.829 112.740 108.800 0.185 0.000 2.480 1118 G HA2 -0.099 3.861 3.960 0.001 0.000 0.193 1118 G HA3 -0.099 3.861 3.960 0.001 0.000 0.193 1118 G C -0.253 174.649 174.900 0.004 0.000 1.004 1118 G CA -0.241 44.931 45.100 0.121 0.000 0.696 1118 G HN 0.658 nan 8.290 nan 0.000 0.478 1119 L N 1.039 122.260 121.223 -0.003 0.000 2.333 1119 L HA 0.648 4.989 4.340 0.001 0.000 0.269 1119 L C -1.020 175.849 176.870 -0.002 0.000 1.010 1119 L CA -1.034 53.791 54.840 -0.025 0.000 0.818 1119 L CB 1.900 43.927 42.059 -0.053 0.000 1.306 1119 L HN 0.055 nan 8.230 nan 0.000 0.430 1120 D N 0.823 121.219 120.400 -0.008 0.000 2.373 1120 D HA 0.172 4.813 4.640 0.001 0.000 0.227 1120 D C 0.785 177.083 176.300 -0.003 0.000 1.091 1120 D CA -0.355 53.644 54.000 -0.001 0.000 0.840 1120 D CB 2.061 42.860 40.800 -0.002 0.000 1.060 1120 D HN 0.189 nan 8.370 nan 0.000 0.502 1121 V N 4.451 124.367 119.914 0.004 0.000 2.453 1121 V HA -0.270 3.851 4.120 0.001 0.000 0.252 1121 V C 1.959 178.057 176.094 0.007 0.000 1.068 1121 V CA 1.475 63.782 62.300 0.011 0.000 1.070 1121 V CB -0.386 31.449 31.823 0.020 0.000 0.664 1121 V HN 0.595 nan 8.190 nan 0.000 0.461 1122 N N 0.079 118.776 118.700 -0.005 0.000 2.331 1122 N HA -0.046 4.694 4.740 0.001 0.000 0.180 1122 N C 1.834 177.342 175.510 -0.003 0.000 1.019 1122 N CA 1.438 54.480 53.050 -0.013 0.000 0.881 1122 N CB -0.261 38.207 38.487 -0.031 0.000 0.972 1122 N HN 0.520 nan 8.380 nan 0.000 0.435 1123 A N 1.165 123.984 122.820 -0.002 0.000 1.897 1123 A HA 0.023 4.343 4.320 0.001 0.000 0.215 1123 A C 2.277 179.861 177.584 0.000 0.000 1.181 1123 A CA 0.614 52.651 52.037 -0.000 0.000 0.620 1123 A CB -0.513 18.482 19.000 -0.009 0.000 0.821 1123 A HN 0.158 nan 8.150 nan 0.000 0.443 1124 I N -0.277 120.291 120.570 -0.002 0.000 2.226 1124 I HA -0.261 3.910 4.170 0.001 0.000 0.245 1124 I C 2.177 178.322 176.117 0.047 0.000 1.100 1124 I CA 1.970 63.272 61.300 0.003 0.000 1.374 1124 I CB -0.436 37.566 38.000 0.002 0.000 1.057 1124 I HN 0.333 nan 8.210 nan 0.000 0.413 1125 D N -0.060 120.375 120.400 0.059 0.000 2.178 1125 D HA -0.179 4.462 4.640 0.001 0.000 0.202 1125 D C 2.281 178.630 176.300 0.082 0.000 0.974 1125 D CA 1.111 55.170 54.000 0.098 0.000 0.841 1125 D CB 0.151 40.960 40.800 0.015 0.000 0.953 1125 D HN 0.093 nan 8.370 nan 0.000 0.478 1126 S N -1.110 114.615 115.700 0.043 0.000 2.371 1126 S HA -0.026 4.445 4.470 0.001 0.000 0.224 1126 S C 2.026 176.652 174.600 0.043 0.000 1.029 1126 S CA 1.077 59.301 58.200 0.039 0.000 0.978 1126 S CB -0.306 62.917 63.200 0.038 0.000 0.833 1126 S HN 0.327 nan 8.310 nan 0.000 0.466 1127 A N 1.459 124.300 122.820 0.034 0.000 1.902 1127 A HA 0.048 4.369 4.320 0.001 0.000 0.217 1127 A C 2.162 179.779 177.584 0.056 0.000 1.181 1127 A CA 1.386 53.442 52.037 0.030 0.000 0.623 1127 A CB -0.788 18.205 19.000 -0.011 0.000 0.818 1127 A HN 0.559 nan 8.150 nan 0.000 0.443 1128 L N -0.892 120.373 121.223 0.070 0.000 2.027 1128 L HA -0.155 4.186 4.340 0.001 0.000 0.206 1128 L C 2.580 179.497 176.870 0.079 0.000 1.074 1128 L CA 1.146 56.032 54.840 0.077 0.000 0.745 1128 L CB -0.511 41.611 42.059 0.104 0.000 0.898 1128 L HN 0.345 nan 8.230 nan 0.000 0.433 1129 L N -0.806 120.488 121.223 0.118 0.000 2.093 1129 L HA -0.175 4.166 4.340 0.001 0.000 0.208 1129 L C 2.835 179.695 176.870 -0.017 0.000 1.085 1129 L CA 1.134 56.025 54.840 0.086 0.000 0.755 1129 L CB -0.353 41.766 42.059 0.100 0.000 0.904 1129 L HN 0.177 nan 8.230 nan 0.000 0.435 1130 R N -0.296 120.195 120.500 -0.015 0.000 2.075 1130 R HA -0.113 4.227 4.340 0.001 0.000 0.232 1130 R C 2.289 178.556 176.300 -0.055 0.000 1.126 1130 R CA 1.099 57.163 56.100 -0.060 0.000 0.963 1130 R CB -0.342 29.950 30.300 -0.014 0.000 0.858 1130 R HN 0.291 nan 8.270 nan 0.000 0.435 1131 L N 0.168 121.392 121.223 0.001 0.000 2.042 1131 L HA -0.199 4.141 4.340 0.001 0.000 0.210 1131 L C 2.779 179.633 176.870 -0.027 0.000 1.076 1131 L CA 1.390 56.234 54.840 0.008 0.000 0.749 1131 L CB -0.373 41.724 42.059 0.063 0.000 0.893 1131 L HN 0.172 nan 8.230 nan 0.000 0.432 1132 R N -0.510 119.973 120.500 -0.030 0.000 2.081 1132 R HA -0.155 4.185 4.340 0.001 0.000 0.235 1132 R C 2.188 178.445 176.300 -0.073 0.000 1.131 1132 R CA 1.981 58.059 56.100 -0.036 0.000 0.960 1132 R CB -0.228 30.062 30.300 -0.015 0.000 0.856 1132 R HN 0.272 nan 8.270 nan 0.000 0.436 1133 T N 1.284 115.736 114.554 -0.171 0.000 2.821 1133 T HA -0.052 4.298 4.350 0.001 0.000 0.267 1133 T C 1.483 176.067 174.700 -0.193 0.000 1.046 1133 T CA 0.920 62.812 62.100 -0.345 0.000 1.139 1133 T CB -0.022 68.392 68.868 -0.756 0.000 0.871 1133 T HN 0.202 nan 8.240 nan 0.000 0.454 1134 L N 0.866 122.012 121.223 -0.129 0.000 2.675 1134 L HA 0.203 4.544 4.340 0.001 0.000 0.239 1134 L C 1.856 178.716 176.870 -0.017 0.000 1.151 1134 L CA 0.238 55.047 54.840 -0.053 0.000 0.905 1134 L CB -0.781 41.252 42.059 -0.042 0.000 1.057 1134 L HN 0.489 nan 8.230 nan 0.000 0.435 1135 G N -0.148 108.645 108.800 -0.011 0.000 2.155 1135 G HA2 -0.316 3.644 3.960 0.001 0.000 0.257 1135 G HA3 -0.316 3.644 3.960 0.001 0.000 0.257 1135 G C 0.520 175.416 174.900 -0.007 0.000 0.983 1135 G CA 0.156 45.260 45.100 0.007 0.000 0.676 1135 G HN 0.558 nan 8.290 nan 0.000 0.528 1136 A N -0.395 122.412 122.820 -0.023 0.000 2.429 1136 A HA 0.512 4.833 4.320 0.001 0.000 0.242 1136 A C 0.473 178.045 177.584 -0.020 0.000 1.088 1136 A CA 0.858 52.876 52.037 -0.031 0.000 0.784 1136 A CB 0.233 19.206 19.000 -0.045 0.000 1.038 1136 A HN 0.721 nan 8.150 nan 0.000 0.501 1137 D N -0.507 119.884 120.400 -0.015 0.000 2.313 1137 D HA 0.184 4.824 4.640 0.001 0.000 0.247 1137 D C 1.286 177.551 176.300 -0.058 0.000 1.094 1137 D CA -0.152 53.835 54.000 -0.022 0.000 0.925 1137 D CB 0.882 41.688 40.800 0.010 0.000 1.188 1137 D HN 0.534 nan 8.370 nan 0.000 0.430 1138 K N 1.948 122.304 120.400 -0.073 0.000 2.077 1138 K HA -0.294 4.027 4.320 0.001 0.000 0.213 1138 K C 1.406 177.925 176.600 -0.135 0.000 1.051 1138 K CA 1.589 57.820 56.287 -0.094 0.000 0.929 1138 K CB 0.035 32.479 32.500 -0.093 0.000 0.715 1138 K HN 0.366 nan 8.250 nan 0.000 0.451 1139 K N -0.329 119.931 120.400 -0.234 0.000 2.211 1139 K HA -0.140 4.180 4.320 0.001 0.000 0.204 1139 K C 2.007 178.469 176.600 -0.229 0.000 1.047 1139 K CA 1.074 57.130 56.287 -0.386 0.000 0.935 1139 K CB -0.094 31.833 32.500 -0.955 0.000 0.728 1139 K HN 0.314 nan 8.250 nan 0.000 0.452 1140 A N 0.701 123.461 122.820 -0.100 0.000 1.897 1140 A HA -0.109 4.212 4.320 0.001 0.000 0.215 1140 A C 1.932 179.592 177.584 0.127 0.000 1.181 1140 A CA 1.086 53.144 52.037 0.034 0.000 0.620 1140 A CB -0.325 18.661 19.000 -0.024 0.000 0.821 1140 A HN 0.105 nan 8.150 nan 0.000 0.443 1141 L N -0.183 121.063 121.223 0.039 0.000 2.141 1141 L HA -0.107 4.233 4.340 0.001 0.000 0.209 1141 L C 2.640 179.513 176.870 0.006 0.000 1.094 1141 L CA 2.129 56.987 54.840 0.029 0.000 0.763 1141 L CB -0.907 41.127 42.059 -0.041 0.000 0.908 1141 L HN 0.335 nan 8.230 nan 0.000 0.437 1142 T N -0.740 113.798 114.554 -0.027 0.000 2.777 1142 T HA -0.144 4.206 4.350 0.001 0.000 0.266 1142 T C 2.021 176.724 174.700 0.005 0.000 1.040 1142 T CA 1.199 63.275 62.100 -0.040 0.000 1.141 1142 T CB -0.299 68.519 68.868 -0.085 0.000 0.868 1142 T HN 0.414 nan 8.240 nan 0.000 0.444 1143 A N 1.396 124.260 122.820 0.074 0.000 1.902 1143 A HA -0.171 4.149 4.320 0.001 0.000 0.217 1143 A C 2.271 179.913 177.584 0.096 0.000 1.181 1143 A CA 1.991 54.124 52.037 0.161 0.000 0.623 1143 A CB -0.769 18.460 19.000 0.383 0.000 0.818 1143 A HN 0.445 nan 8.150 nan 0.000 0.443 1144 Q N 0.040 119.907 119.800 0.111 0.000 2.124 1144 Q HA -0.064 4.276 4.340 0.001 0.000 0.202 1144 Q C 1.720 177.657 176.000 -0.104 0.000 0.977 1144 Q CA 1.730 57.483 55.803 -0.082 0.000 0.850 1144 Q CB -0.522 28.208 28.738 -0.014 0.000 0.901 1144 Q HN 0.655 nan 8.270 nan 0.000 0.429 1145 L N -0.546 120.645 121.223 -0.054 0.000 2.313 1145 L HA -0.040 4.300 4.340 0.001 0.000 0.214 1145 L C 2.057 178.884 176.870 -0.072 0.000 1.119 1145 L CA 0.403 55.207 54.840 -0.060 0.000 0.809 1145 L CB -0.204 41.827 42.059 -0.047 0.000 0.933 1145 L HN 0.265 nan 8.230 nan 0.000 0.449 1146 L N -1.064 120.117 121.223 -0.069 0.000 2.179 1146 L HA -0.101 4.240 4.340 0.001 0.000 0.208 1146 L C 2.422 179.211 176.870 -0.136 0.000 1.096 1146 L CA 0.900 55.694 54.840 -0.077 0.000 0.779 1146 L CB -0.183 41.848 42.059 -0.047 0.000 0.922 1146 L HN 0.289 nan 8.230 nan 0.000 0.443 1147 M N -0.459 119.034 119.600 -0.178 0.000 2.476 1147 M HA -0.077 4.404 4.480 0.001 0.000 0.262 1147 M C 1.523 177.662 176.300 -0.269 0.000 1.079 1147 M CA 0.974 56.105 55.300 -0.281 0.000 1.104 1147 M CB 0.051 32.438 32.600 -0.353 0.000 1.409 1147 M HN 0.229 nan 8.290 nan 0.000 0.467 1148 V N -4.200 115.602 119.914 -0.186 0.000 3.444 1148 V HA 0.563 4.683 4.120 0.001 0.000 0.308 1148 V C 1.016 177.043 176.094 -0.112 0.000 1.371 1148 V CA 0.472 62.681 62.300 -0.150 0.000 1.141 1148 V CB -0.418 31.339 31.823 -0.111 0.000 1.037 1148 V HN 0.583 nan 8.190 nan 0.000 0.433 1149 G N 0.207 108.938 108.800 -0.115 0.000 2.278 1149 G HA2 -0.188 3.772 3.960 0.001 0.000 0.210 1149 G HA3 -0.188 3.772 3.960 0.001 0.000 0.210 1149 G C -0.230 174.645 174.900 -0.042 0.000 1.000 1149 G CA -0.122 44.933 45.100 -0.075 0.000 0.635 1149 G HN 0.411 nan 8.290 nan 0.000 0.495 1150 L N 1.589 122.789 121.223 -0.039 0.000 2.483 1150 L HA 0.395 4.736 4.340 0.001 0.000 0.275 1150 L C 1.072 177.930 176.870 -0.020 0.000 1.220 1150 L CA 0.407 55.234 54.840 -0.021 0.000 0.833 1150 L CB 0.717 42.763 42.059 -0.023 0.000 1.102 1150 L HN 0.494 nan 8.230 nan 0.000 0.490 1151 Q N 1.879 121.675 119.800 -0.006 0.000 2.314 1151 Q HA 0.050 4.390 4.340 0.001 0.000 0.258 1151 Q C 0.730 176.724 176.000 -0.011 0.000 0.954 1151 Q CA -0.228 55.573 55.803 -0.003 0.000 0.890 1151 Q CB 0.773 29.517 28.738 0.009 0.000 1.210 1151 Q HN 0.667 nan 8.270 nan 0.000 0.410 1152 E N 1.632 121.825 120.200 -0.012 0.000 2.164 1152 E HA -0.301 4.049 4.350 0.001 0.000 0.206 1152 E C 1.636 178.224 176.600 -0.020 0.000 1.032 1152 E CA 2.164 58.554 56.400 -0.017 0.000 0.832 1152 E CB 0.112 29.804 29.700 -0.013 0.000 0.742 1152 E HN 0.715 nan 8.360 nan 0.000 0.460 1153 S N 0.761 116.454 115.700 -0.013 0.000 2.351 1153 S HA -0.226 4.244 4.470 0.001 0.000 0.220 1153 S C 1.811 176.400 174.600 -0.018 0.000 1.035 1153 S CA 1.505 59.697 58.200 -0.013 0.000 1.031 1153 S CB -0.348 62.849 63.200 -0.005 0.000 0.928 1153 S HN 0.333 nan 8.310 nan 0.000 0.433 1154 E N 1.473 121.665 120.200 -0.014 0.000 2.106 1154 E HA -0.069 4.281 4.350 0.001 0.000 0.192 1154 E C 2.414 178.997 176.600 -0.029 0.000 0.984 1154 E CA 0.855 57.245 56.400 -0.017 0.000 0.806 1154 E CB -0.334 29.361 29.700 -0.008 0.000 0.750 1154 E HN 0.500 nan 8.360 nan 0.000 0.458 1155 A N 2.311 125.112 122.820 -0.031 0.000 1.849 1155 A HA -0.297 4.024 4.320 0.001 0.000 0.217 1155 A C 2.123 179.674 177.584 -0.056 0.000 1.202 1155 A CA 2.002 54.013 52.037 -0.043 0.000 0.629 1155 A CB -0.793 18.184 19.000 -0.039 0.000 0.834 1155 A HN 0.310 nan 8.150 nan 0.000 0.447 1156 D N -0.140 120.229 120.400 -0.053 0.000 2.149 1156 D HA -0.123 4.517 4.640 0.001 0.000 0.198 1156 D C 2.055 178.318 176.300 -0.063 0.000 0.990 1156 D CA 1.601 55.563 54.000 -0.062 0.000 0.839 1156 D CB -0.112 40.655 40.800 -0.055 0.000 0.948 1156 D HN 0.350 nan 8.370 nan 0.000 0.460 1157 A N 0.854 123.643 122.820 -0.052 0.000 1.854 1157 A HA -0.097 4.223 4.320 0.001 0.000 0.214 1157 A C 2.250 179.792 177.584 -0.071 0.000 1.192 1157 A CA 1.079 53.086 52.037 -0.051 0.000 0.611 1157 A CB -0.907 18.073 19.000 -0.034 0.000 0.832 1157 A HN 0.342 nan 8.150 nan 0.000 0.442 1158 L N 0.087 121.265 121.223 -0.075 0.000 2.042 1158 L HA -0.139 4.201 4.340 0.001 0.000 0.210 1158 L C 2.630 179.391 176.870 -0.181 0.000 1.076 1158 L CA 2.281 57.052 54.840 -0.115 0.000 0.749 1158 L CB -0.910 41.092 42.059 -0.095 0.000 0.893 1158 L HN 0.378 nan 8.230 nan 0.000 0.432 1159 A N -0.475 122.258 122.820 -0.145 0.000 1.865 1159 A HA -0.126 4.194 4.320 0.001 0.000 0.217 1159 A C 2.372 179.868 177.584 -0.147 0.000 1.191 1159 A CA 1.783 53.727 52.037 -0.154 0.000 0.623 1159 A CB -1.689 17.246 19.000 -0.109 0.000 0.826 1159 A HN 0.531 nan 8.150 nan 0.000 0.444 1160 G N -0.677 108.057 108.800 -0.110 0.000 2.448 1160 G HA2 -0.259 3.702 3.960 0.001 0.000 0.219 1160 G HA3 -0.259 3.702 3.960 0.001 0.000 0.219 1160 G C 1.609 176.455 174.900 -0.090 0.000 1.127 1160 G CA 1.269 46.317 45.100 -0.087 0.000 0.766 1160 G HN 0.615 nan 8.290 nan 0.000 0.552 1161 K N 0.132 120.464 120.400 -0.114 0.000 2.062 1161 K HA 0.079 4.399 4.320 0.001 0.000 0.205 1161 K C 2.428 178.934 176.600 -0.157 0.000 1.051 1161 K CA 0.677 56.901 56.287 -0.106 0.000 0.941 1161 K CB -0.227 32.213 32.500 -0.100 0.000 0.719 1161 K HN 0.337 nan 8.250 nan 0.000 0.440 1162 I N 1.222 121.605 120.570 -0.311 0.000 2.286 1162 I HA -0.283 3.887 4.170 0.001 0.000 0.248 1162 I C 2.303 178.321 176.117 -0.164 0.000 1.115 1162 I CA 0.843 61.879 61.300 -0.439 0.000 1.392 1162 I CB -0.199 37.385 38.000 -0.694 0.000 1.065 1162 I HN 0.254 nan 8.210 nan 0.000 0.418 1163 M N 0.006 119.534 119.600 -0.119 0.000 2.213 1163 M HA -0.140 4.341 4.480 0.001 0.000 0.263 1163 M C 2.078 178.370 176.300 -0.014 0.000 1.062 1163 M CA 1.732 57.001 55.300 -0.053 0.000 1.105 1163 M CB -0.803 31.766 32.600 -0.051 0.000 1.385 1163 M HN 0.287 nan 8.290 nan 0.000 0.417 1164 L N -1.242 119.971 121.223 -0.016 0.000 2.640 1164 L HA 0.168 4.509 4.340 0.001 0.000 0.230 1164 L C 1.056 177.946 176.870 0.035 0.000 1.123 1164 L CA -0.218 54.628 54.840 0.011 0.000 0.900 1164 L CB -0.112 41.949 42.059 0.003 0.000 1.146 1164 L HN 0.285 nan 8.230 nan 0.000 0.484 1165 Q N 1.082 120.911 119.800 0.048 0.000 2.327 1165 Q HA 0.032 4.372 4.340 0.001 0.000 0.254 1165 Q C -0.458 175.611 176.000 0.116 0.000 0.952 1165 Q CA -0.188 55.674 55.803 0.098 0.000 0.884 1165 Q CB 0.990 29.829 28.738 0.168 0.000 1.224 1165 Q HN 0.030 nan 8.270 nan 0.000 0.422 1166 D N 3.702 124.161 120.400 0.099 0.000 2.422 1166 D HA 0.140 4.781 4.640 0.001 0.000 0.227 1166 D C -0.874 175.484 176.300 0.096 0.000 1.190 1166 D CA -0.029 54.024 54.000 0.089 0.000 0.905 1166 D CB 0.701 41.540 40.800 0.065 0.000 1.034 1166 D HN 0.297 nan 8.370 nan 0.000 0.507 1167 V N 4.113 124.095 119.914 0.113 0.000 2.508 1167 V HA 0.061 4.182 4.120 0.001 0.000 0.281 1167 V C 0.984 177.114 176.094 0.059 0.000 1.041 1167 V CA -0.752 61.601 62.300 0.089 0.000 1.016 1167 V CB 0.859 32.750 31.823 0.113 0.000 0.984 1167 V HN 0.379 nan 8.190 nan 0.000 0.478 1168 N N 2.838 121.557 118.700 0.031 0.000 2.381 1168 N HA 0.159 4.899 4.740 0.001 0.000 0.254 1168 N C 1.485 177.027 175.510 0.053 0.000 1.264 1168 N CA -0.028 53.045 53.050 0.038 0.000 0.942 1168 N CB 0.922 39.425 38.487 0.027 0.000 1.190 1168 N HN 0.684 nan 8.380 nan 0.000 0.495 1169 T N 0.525 115.113 114.554 0.056 0.000 2.592 1169 T HA -0.154 4.197 4.350 0.001 0.000 0.267 1169 T C 1.950 176.719 174.700 0.115 0.000 1.060 1169 T CA 1.533 63.652 62.100 0.031 0.000 1.167 1169 T CB -0.259 68.553 68.868 -0.094 0.000 0.863 1169 T HN 0.258 nan 8.240 nan 0.000 0.431 1170 V N 1.392 121.437 119.914 0.219 0.000 2.261 1170 V HA -0.240 3.880 4.120 0.001 0.000 0.246 1170 V C 2.663 178.874 176.094 0.195 0.000 1.047 1170 V CA 2.274 64.797 62.300 0.371 0.000 1.015 1170 V CB -0.742 31.406 31.823 0.542 0.000 0.642 1170 V HN 0.534 nan 8.190 nan 0.000 0.446 1171 Q N -0.721 119.138 119.800 0.098 0.000 2.084 1171 Q HA -0.237 4.103 4.340 0.001 0.000 0.202 1171 Q C 2.200 178.183 176.000 -0.028 0.000 0.978 1171 Q CA 1.916 57.715 55.803 -0.007 0.000 0.844 1171 Q CB -0.207 28.458 28.738 -0.122 0.000 0.898 1171 Q HN 0.510 nan 8.270 nan 0.000 0.426 1172 L N 0.627 121.852 121.223 0.003 0.000 2.093 1172 L HA 0.032 4.373 4.340 0.001 0.000 0.208 1172 L C 2.204 179.056 176.870 -0.029 0.000 1.085 1172 L CA 1.938 56.787 54.840 0.015 0.000 0.755 1172 L CB -0.958 41.144 42.059 0.071 0.000 0.904 1172 L HN 0.293 nan 8.230 nan 0.000 0.435 1173 A N -0.568 122.209 122.820 -0.073 0.000 2.084 1173 A HA -0.221 4.099 4.320 0.001 0.000 0.221 1173 A C 2.286 179.705 177.584 -0.274 0.000 1.161 1173 A CA 1.411 53.292 52.037 -0.259 0.000 0.653 1173 A CB -0.611 18.043 19.000 -0.577 0.000 0.802 1173 A HN 0.506 nan 8.150 nan 0.000 0.457 1174 R N -0.232 120.173 120.500 -0.159 0.000 2.189 1174 R HA -0.092 4.248 4.340 0.001 0.000 0.223 1174 R C 1.946 178.213 176.300 -0.054 0.000 1.092 1174 R CA 1.349 57.380 56.100 -0.115 0.000 0.989 1174 R CB -0.783 29.479 30.300 -0.063 0.000 0.876 1174 R HN 0.653 nan 8.270 nan 0.000 0.457 1175 V N -2.006 117.878 119.914 -0.049 0.000 2.828 1175 V HA -0.072 4.049 4.120 0.001 0.000 0.260 1175 V C 1.513 177.656 176.094 0.081 0.000 1.101 1175 V CA 1.350 63.650 62.300 0.001 0.000 1.123 1175 V CB -0.143 31.631 31.823 -0.080 0.000 0.704 1175 V HN 0.088 nan 8.190 nan 0.000 0.493 1176 V N 1.367 121.249 119.914 -0.054 0.000 2.991 1176 V HA 0.402 4.522 4.120 0.001 0.000 0.355 1176 V C 0.620 176.541 176.094 -0.287 0.000 1.384 1176 V CA 0.210 62.394 62.300 -0.195 0.000 1.171 1176 V CB -0.822 30.808 31.823 -0.322 0.000 1.190 1176 V HN 0.785 nan 8.190 nan 0.000 0.540 1177 N N 0.476 119.108 118.700 -0.114 0.000 2.725 1177 N HA -0.184 4.557 4.740 0.001 0.000 0.249 1177 N C -0.269 175.114 175.510 -0.211 0.000 1.103 1177 N CA 0.965 53.952 53.050 -0.105 0.000 0.707 1177 N CB -1.354 37.123 38.487 -0.017 0.000 1.043 1177 N HN 0.483 nan 8.380 nan 0.000 0.553 1178 L N 0.160 121.170 121.223 -0.355 0.000 2.292 1178 L HA 0.622 4.962 4.340 0.001 0.000 0.284 1178 L C 0.749 177.295 176.870 -0.539 0.000 1.065 1178 L CA -0.387 54.122 54.840 -0.551 0.000 0.806 1178 L CB 1.336 42.802 42.059 -0.989 0.000 1.175 1178 L HN 0.200 nan 8.230 nan 0.000 0.431 1179 A N 3.393 126.015 122.820 -0.329 0.000 2.380 1179 A HA 0.682 5.003 4.320 0.001 0.000 0.315 1179 A C -0.674 176.929 177.584 0.032 0.000 1.101 1179 A CA -0.572 51.374 52.037 -0.151 0.000 0.771 1179 A CB 1.608 20.501 19.000 -0.179 0.000 1.287 1179 A HN 0.349 nan 8.150 nan 0.000 0.436 1180 V N 3.097 123.068 119.914 0.094 0.000 2.529 1180 V HA 0.158 4.278 4.120 0.001 0.000 0.292 1180 V C -1.984 173.890 176.094 -0.366 0.000 1.028 1180 V CA -0.548 61.689 62.300 -0.105 0.000 1.074 1180 V CB 0.510 32.202 31.823 -0.220 0.000 0.958 1180 V HN 0.755 nan 8.190 nan 0.000 0.481 1181 P HA 0.114 nan 4.420 nan 0.000 0.268 1181 P C 0.332 177.412 177.300 -0.366 0.000 1.204 1181 P CA -0.080 62.647 63.100 -0.621 0.000 0.768 1181 P CB 0.602 31.666 31.700 -1.060 0.000 0.842 1182 D N 1.144 121.381 120.400 -0.273 0.000 2.133 1182 D HA -0.186 4.455 4.640 0.001 0.000 0.192 1182 D C 1.793 178.123 176.300 0.050 0.000 1.001 1182 D CA 2.189 56.109 54.000 -0.134 0.000 0.844 1182 D CB -0.565 40.115 40.800 -0.200 0.000 0.944 1182 D HN 0.472 nan 8.370 nan 0.000 0.447 1183 T N -2.494 112.059 114.554 -0.002 0.000 2.897 1183 T HA -0.193 4.158 4.350 0.001 0.000 0.271 1183 T C 1.518 176.518 174.700 0.500 0.000 1.084 1183 T CA 0.803 63.009 62.100 0.177 0.000 1.123 1183 T CB -0.439 68.506 68.868 0.128 0.000 0.865 1183 T HN 0.191 nan 8.240 nan 0.000 0.496 1184 W N 0.906 122.258 121.300 0.086 0.000 2.863 1184 W HA 0.458 5.118 4.660 0.001 0.000 0.258 1184 W C 2.023 178.587 176.519 0.076 0.000 1.298 1184 W CA -1.062 56.292 57.345 0.016 0.000 1.451 1184 W CB -0.725 28.668 29.460 -0.111 0.000 1.107 1184 W HN 0.187 nan 8.180 nan 0.000 0.641 1185 M N 0.381 120.159 119.600 0.298 0.000 2.419 1185 M HA -0.168 4.313 4.480 0.001 0.000 0.260 1185 M C 1.678 178.131 176.300 0.254 0.000 1.073 1185 M CA 1.856 57.337 55.300 0.302 0.000 1.056 1185 M CB -1.792 30.929 32.600 0.202 0.000 1.394 1185 M HN 0.117 nan 8.290 nan 0.000 0.444 1186 S N -1.111 114.711 115.700 0.205 0.000 2.556 1186 S HA 0.338 4.808 4.470 0.001 0.000 0.216 1186 S C 0.649 175.273 174.600 0.039 0.000 0.970 1186 S CA -0.427 57.844 58.200 0.119 0.000 0.912 1186 S CB -0.036 63.248 63.200 0.141 0.000 0.790 1186 S HN 0.345 nan 8.310 nan 0.000 0.504 1187 L N 0.878 122.120 121.223 0.031 0.000 2.286 1187 L HA 0.543 4.883 4.340 0.001 0.000 0.265 1187 L C -0.302 176.478 176.870 -0.150 0.000 1.012 1187 L CA -0.986 53.788 54.840 -0.111 0.000 0.818 1187 L CB 0.759 42.668 42.059 -0.250 0.000 1.337 1187 L HN -0.076 nan 8.230 nan 0.000 0.438 1188 D N 0.456 120.695 120.400 -0.268 0.000 2.551 1188 D HA 0.059 4.700 4.640 0.001 0.000 0.223 1188 D C 0.810 176.849 176.300 -0.435 0.000 1.144 1188 D CA -0.176 53.590 54.000 -0.390 0.000 1.025 1188 D CB 0.118 40.743 40.800 -0.292 0.000 1.085 1188 D HN 0.356 nan 8.370 nan 0.000 0.506 1189 F N 0.410 120.146 119.950 -0.357 0.000 2.407 1189 F HA 0.068 4.595 4.527 0.001 0.000 0.299 1189 F C 1.654 177.135 175.800 -0.532 0.000 1.097 1189 F CA 0.089 57.782 58.000 -0.511 0.000 1.422 1189 F CB -0.557 38.234 39.000 -0.350 0.000 1.067 1189 F HN 0.135 nan 8.300 nan 0.000 0.539 1190 D N 0.675 120.657 120.400 -0.696 0.000 2.117 1190 D HA -0.155 4.486 4.640 0.001 0.000 0.197 1190 D C 2.123 178.344 176.300 -0.131 0.000 0.987 1190 D CA 1.763 55.612 54.000 -0.252 0.000 0.829 1190 D CB -0.071 40.535 40.800 -0.323 0.000 0.961 1190 D HN 0.248 nan 8.370 nan 0.000 0.460 1191 S N -0.561 115.028 115.700 -0.185 0.000 2.368 1191 S HA -0.139 4.331 4.470 0.001 0.000 0.224 1191 S C 1.848 176.449 174.600 0.001 0.000 1.029 1191 S CA 1.007 59.186 58.200 -0.034 0.000 0.988 1191 S CB -0.329 62.883 63.200 0.019 0.000 0.838 1191 S HN 0.392 nan 8.310 nan 0.000 0.462 1192 M N 0.539 120.052 119.600 -0.145 0.000 2.080 1192 M HA -0.144 4.336 4.480 0.001 0.000 0.260 1192 M C 1.441 177.703 176.300 -0.062 0.000 1.068 1192 M CA 1.773 56.982 55.300 -0.152 0.000 1.109 1192 M CB -0.295 32.062 32.600 -0.406 0.000 1.342 1192 M HN 0.224 nan 8.290 nan 0.000 0.405 1193 F N 0.923 120.829 119.950 -0.073 0.000 2.134 1193 F HA -0.148 4.379 4.527 0.001 0.000 0.299 1193 F C 2.308 178.039 175.800 -0.116 0.000 1.097 1193 F CA 1.491 59.440 58.000 -0.084 0.000 1.264 1193 F CB -0.918 38.048 39.000 -0.057 0.000 1.001 1193 F HN 0.169 nan 8.300 nan 0.000 0.479 1194 K N -1.123 119.274 120.400 -0.005 0.000 2.044 1194 K HA -0.065 4.255 4.320 0.001 0.000 0.204 1194 K C 1.571 177.923 176.600 -0.414 0.000 1.049 1194 K CA 1.308 57.427 56.287 -0.279 0.000 0.945 1194 K CB -0.187 31.977 32.500 -0.561 0.000 0.724 1194 K HN 0.304 nan 8.250 nan 0.000 0.440 1195 H N -1.381 117.614 119.070 -0.125 0.000 2.705 1195 H HA 0.162 4.719 4.556 0.001 0.000 0.269 1195 H C 0.643 175.506 175.328 -0.777 0.000 0.998 1195 H CA 0.440 56.242 56.048 -0.410 0.000 1.193 1195 H CB 0.701 30.176 29.762 -0.478 0.000 1.485 1195 H HN 0.255 nan 8.280 nan 0.000 0.521 1196 H N -0.077 118.985 119.070 -0.014 0.000 2.916 1196 H HA 0.296 4.853 4.556 0.001 0.000 0.262 1196 H C -0.214 175.033 175.328 -0.135 0.000 1.178 1196 H CA 0.129 56.127 56.048 -0.082 0.000 1.090 1196 H CB 1.622 31.329 29.762 -0.091 0.000 1.657 1196 H HN -0.060 nan 8.280 nan 0.000 0.601 1197 V N 2.412 122.290 119.914 -0.061 0.000 2.327 1197 V HA 0.145 4.265 4.120 0.001 0.000 0.272 1197 V C -0.364 175.713 176.094 -0.027 0.000 1.019 1197 V CA -0.840 61.434 62.300 -0.045 0.000 0.814 1197 V CB 1.339 33.172 31.823 0.016 0.000 1.040 1197 V HN 0.077 nan 8.190 nan 0.000 0.440 1198 K N 3.989 124.292 120.400 -0.161 0.000 2.297 1198 K HA 0.462 4.783 4.320 0.001 0.000 0.286 1198 K C 0.578 177.219 176.600 0.068 0.000 1.053 1198 K CA -0.027 56.171 56.287 -0.147 0.000 0.940 1198 K CB 1.003 33.213 32.500 -0.484 0.000 1.019 1198 K HN 0.509 nan 8.250 nan 0.000 0.475 1199 L N 2.916 124.179 121.223 0.067 0.000 2.628 1199 L HA 0.231 4.572 4.340 0.001 0.000 0.229 1199 L C 0.183 177.049 176.870 -0.006 0.000 1.137 1199 L CA -0.092 54.777 54.840 0.048 0.000 0.909 1199 L CB -0.011 42.074 42.059 0.043 0.000 1.137 1199 L HN 0.420 nan 8.230 nan 0.000 0.470 1200 L N 2.244 123.484 121.223 0.028 0.000 2.283 1200 L HA 0.497 4.838 4.340 0.001 0.000 0.281 1200 L C -2.207 174.692 176.870 0.049 0.000 1.033 1200 L CA -1.718 53.127 54.840 0.009 0.000 0.848 1200 L CB 1.095 43.176 42.059 0.036 0.000 1.226 1200 L HN -0.156 nan 8.230 nan 0.000 0.429 1201 P HA -0.153 nan 4.420 nan 0.000 0.268 1201 P C 0.137 177.435 177.300 -0.003 0.000 1.171 1201 P CA 0.284 63.306 63.100 -0.130 0.000 0.761 1201 P CB 0.575 31.898 31.700 -0.628 0.000 0.786 1202 K N 2.797 123.187 120.400 -0.017 0.000 2.113 1202 K HA -0.206 4.115 4.320 0.001 0.000 0.208 1202 K C 0.494 177.029 176.600 -0.109 0.000 1.047 1202 K CA 2.294 58.449 56.287 -0.221 0.000 0.928 1202 K CB -0.764 31.544 32.500 -0.321 0.000 0.716 1202 K HN 0.589 nan 8.250 nan 0.000 0.446 1203 D N -1.466 118.920 120.400 -0.023 0.000 2.894 1203 D HA 0.369 5.009 4.640 0.001 0.000 0.273 1203 D C 0.472 176.807 176.300 0.058 0.000 1.328 1203 D CA 0.108 54.123 54.000 0.026 0.000 0.845 1203 D CB 0.196 41.034 40.800 0.064 0.000 1.072 1203 D HN 0.300 nan 8.370 nan 0.000 0.484 1204 G N 0.171 108.976 108.800 0.009 0.000 2.472 1204 G HA2 -0.169 3.792 3.960 0.001 0.000 0.205 1204 G HA3 -0.169 3.792 3.960 0.001 0.000 0.205 1204 G C -0.905 173.967 174.900 -0.047 0.000 1.270 1204 G CA -1.176 43.932 45.100 0.014 0.000 0.974 1204 G HN 0.337 nan 8.290 nan 0.000 0.542 1205 R N 0.286 120.801 120.500 0.024 0.000 2.368 1205 R HA 0.590 4.930 4.340 0.001 0.000 0.302 1205 R C -0.218 176.200 176.300 0.196 0.000 1.002 1205 R CA -0.434 55.673 56.100 0.011 0.000 0.929 1205 R CB 0.865 31.175 30.300 0.017 0.000 1.073 1205 R HN 0.666 nan 8.270 nan 0.000 0.464 1206 H N 1.716 120.774 119.070 -0.019 0.000 2.569 1206 H HA 0.184 4.740 4.556 0.001 0.000 0.357 1206 H C 0.980 176.288 175.328 -0.033 0.000 1.153 1206 H CA -0.916 55.116 56.048 -0.026 0.000 1.193 1206 H CB 2.209 31.951 29.762 -0.034 0.000 1.602 1206 H HN 0.327 nan 8.280 nan 0.000 0.523 1207 L N 0.875 122.152 121.223 0.090 0.000 2.079 1207 L HA -0.224 4.116 4.340 0.001 0.000 0.210 1207 L C 1.571 178.448 176.870 0.012 0.000 1.081 1207 L CA 1.135 55.992 54.840 0.028 0.000 0.752 1207 L CB -0.302 41.757 42.059 -0.000 0.000 0.896 1207 L HN 0.637 nan 8.230 nan 0.000 0.433 1208 N N -0.701 118.013 118.700 0.023 0.000 2.331 1208 N HA -0.115 4.626 4.740 0.001 0.000 0.180 1208 N C 1.901 177.398 175.510 -0.023 0.000 1.019 1208 N CA 1.765 54.809 53.050 -0.010 0.000 0.881 1208 N CB -0.364 38.115 38.487 -0.012 0.000 0.972 1208 N HN 0.443 nan 8.380 nan 0.000 0.435 1209 T N -2.106 112.444 114.554 -0.007 0.000 3.081 1209 T HA 0.044 4.394 4.350 0.001 0.000 0.255 1209 T C 0.450 175.107 174.700 -0.073 0.000 1.113 1209 T CA -0.134 61.921 62.100 -0.074 0.000 1.082 1209 T CB 0.024 68.806 68.868 -0.143 0.000 0.939 1209 T HN -0.118 nan 8.240 nan 0.000 0.506 1210 D N 1.826 122.199 120.400 -0.045 0.000 2.400 1210 D HA 0.170 4.811 4.640 0.001 0.000 0.238 1210 D C 0.020 176.284 176.300 -0.061 0.000 1.157 1210 D CA -0.138 53.835 54.000 -0.045 0.000 0.889 1210 D CB 0.644 41.428 40.800 -0.027 0.000 1.199 1210 D HN 0.178 nan 8.370 nan 0.000 0.436 1211 I N 2.714 123.246 120.570 -0.064 0.000 2.321 1211 I HA 0.228 4.399 4.170 0.001 0.000 0.291 1211 I C -1.989 174.082 176.117 -0.076 0.000 0.998 1211 I CA -2.475 58.770 61.300 -0.090 0.000 1.227 1211 I CB 0.412 38.355 38.000 -0.095 0.000 1.368 1211 I HN -0.050 nan 8.210 nan 0.000 0.466 1212 P HA 0.173 nan 4.420 nan 0.000 0.269 1212 P C -1.840 175.434 177.300 -0.042 0.000 1.209 1212 P CA -0.821 62.248 63.100 -0.052 0.000 0.776 1212 P CB 0.106 31.777 31.700 -0.047 0.000 0.876 1213 P HA -0.184 nan 4.420 nan 0.000 0.218 1213 P C 0.832 178.149 177.300 0.027 0.000 1.154 1213 P CA 1.672 64.777 63.100 0.007 0.000 0.872 1213 P CB 0.044 31.755 31.700 0.017 0.000 0.790 1214 R N -1.607 118.922 120.500 0.048 0.000 2.388 1214 R HA 0.283 4.623 4.340 0.001 0.000 0.247 1214 R C 0.870 177.267 176.300 0.161 0.000 0.931 1214 R CA 0.214 56.381 56.100 0.113 0.000 1.082 1214 R CB -0.072 30.308 30.300 0.134 0.000 1.135 1214 R HN 0.328 nan 8.270 nan 0.000 0.525 1215 M N -0.506 119.069 119.600 -0.041 0.000 2.876 1215 M HA 0.202 4.682 4.480 0.001 0.000 0.367 1215 M C 1.193 177.137 176.300 -0.594 0.000 1.242 1215 M CA -0.179 54.844 55.300 -0.461 0.000 0.889 1215 M CB 1.453 33.760 32.600 -0.488 0.000 1.353 1215 M HN 0.078 nan 8.290 nan 0.000 0.511 1216 G N 1.005 109.686 108.800 -0.198 0.000 2.498 1216 G HA2 -0.174 3.787 3.960 0.001 0.000 0.219 1216 G HA3 -0.174 3.787 3.960 0.001 0.000 0.219 1216 G C 1.144 176.001 174.900 -0.071 0.000 1.119 1216 G CA 0.241 45.280 45.100 -0.103 0.000 0.766 1216 G HN 0.830 nan 8.290 nan 0.000 0.552 1217 W N 0.326 121.650 121.300 0.041 0.000 2.611 1217 W HA 0.141 4.802 4.660 0.001 0.000 0.251 1217 W C 1.437 177.965 176.519 0.014 0.000 1.265 1217 W CA -0.218 57.144 57.345 0.028 0.000 1.295 1217 W CB -1.011 28.469 29.460 0.033 0.000 1.129 1217 W HN 0.157 nan 8.180 nan 0.000 0.630 1218 L N 1.319 122.275 121.223 -0.444 0.000 2.046 1218 L HA -0.195 4.146 4.340 0.001 0.000 0.208 1218 L C 3.042 179.863 176.870 -0.081 0.000 1.077 1218 L CA 1.597 56.239 54.840 -0.330 0.000 0.747 1218 L CB -0.671 41.142 42.059 -0.409 0.000 0.896 1218 L HN -0.102 nan 8.230 nan 0.000 0.432 1219 R N -0.138 120.325 120.500 -0.061 0.000 2.133 1219 R HA -0.246 4.094 4.340 0.001 0.000 0.247 1219 R C 2.301 178.619 176.300 0.031 0.000 1.151 1219 R CA 1.561 57.662 56.100 0.002 0.000 0.971 1219 R CB -0.685 29.617 30.300 0.003 0.000 0.866 1219 R HN 0.412 nan 8.270 nan 0.000 0.447 1220 A N 1.444 124.286 122.820 0.037 0.000 1.858 1220 A HA -0.146 4.175 4.320 0.001 0.000 0.216 1220 A C 2.230 179.836 177.584 0.037 0.000 1.190 1220 A CA 1.269 53.325 52.037 0.031 0.000 0.617 1220 A CB -0.500 18.534 19.000 0.057 0.000 0.827 1220 A HN 0.178 nan 8.150 nan 0.000 0.443 1221 I N -0.310 120.257 120.570 -0.004 0.000 2.163 1221 I HA -0.276 3.894 4.170 0.001 0.000 0.243 1221 I C 2.412 178.536 176.117 0.011 0.000 1.085 1221 I CA 1.279 62.525 61.300 -0.089 0.000 1.347 1221 I CB -0.441 37.430 38.000 -0.215 0.000 1.044 1221 I HN 0.288 nan 8.210 nan 0.000 0.408 1222 L N 0.176 121.453 121.223 0.090 0.000 2.079 1222 L HA -0.223 4.118 4.340 0.001 0.000 0.210 1222 L C 2.768 179.828 176.870 0.316 0.000 1.081 1222 L CA 1.378 56.371 54.840 0.255 0.000 0.752 1222 L CB -0.547 41.646 42.059 0.224 0.000 0.896 1222 L HN 0.193 nan 8.230 nan 0.000 0.433 1223 R N -0.964 119.635 120.500 0.165 0.000 2.081 1223 R HA -0.156 4.185 4.340 0.001 0.000 0.235 1223 R C 2.260 178.622 176.300 0.104 0.000 1.131 1223 R CA 1.488 57.649 56.100 0.102 0.000 0.960 1223 R CB -0.366 29.901 30.300 -0.056 0.000 0.856 1223 R HN 0.149 nan 8.270 nan 0.000 0.436 1224 F N 0.915 120.800 119.950 -0.108 0.000 2.102 1224 F HA -0.189 4.338 4.527 0.001 0.000 0.298 1224 F C 2.165 177.983 175.800 0.029 0.000 1.105 1224 F CA 1.356 59.375 58.000 0.032 0.000 1.239 1224 F CB -0.320 38.581 39.000 -0.165 0.000 0.991 1224 F HN -0.046 nan 8.300 nan 0.000 0.474 1225 L N -0.831 120.441 121.223 0.081 0.000 2.012 1225 L HA -0.201 4.139 4.340 0.001 0.000 0.210 1225 L C 2.767 179.555 176.870 -0.138 0.000 1.073 1225 L CA 1.565 56.400 54.840 -0.008 0.000 0.748 1225 L CB -1.627 40.425 42.059 -0.011 0.000 0.891 1225 L HN 0.270 nan 8.230 nan 0.000 0.431 1226 G N -0.483 107.953 108.800 -0.605 0.000 2.418 1226 G HA2 -0.228 3.732 3.960 0.001 0.000 0.217 1226 G HA3 -0.228 3.732 3.960 0.001 0.000 0.217 1226 G C 1.768 176.382 174.900 -0.477 0.000 1.158 1226 G CA 0.810 45.131 45.100 -1.300 0.000 0.771 1226 G HN 0.475 nan 8.290 nan 0.000 0.545 1227 A N 0.881 123.620 122.820 -0.135 0.000 1.933 1227 A HA 0.174 4.494 4.320 0.001 0.000 0.218 1227 A C 2.685 180.334 177.584 0.109 0.000 1.175 1227 A CA 2.007 54.030 52.037 -0.024 0.000 0.628 1227 A CB -1.023 18.078 19.000 0.169 0.000 0.814 1227 A HN 0.517 nan 8.150 nan 0.000 0.444 1228 G N -0.297 108.669 108.800 0.276 0.000 2.459 1228 G HA2 -0.290 3.670 3.960 0.001 0.000 0.217 1228 G HA3 -0.290 3.670 3.960 0.001 0.000 0.217 1228 G C 1.656 176.686 174.900 0.217 0.000 1.183 1228 G CA 1.347 46.673 45.100 0.376 0.000 0.776 1228 G HN 0.474 nan 8.290 nan 0.000 0.552 1229 M N -0.149 119.487 119.600 0.059 0.000 2.117 1229 M HA -0.052 4.428 4.480 0.001 0.000 0.262 1229 M C 2.719 179.022 176.300 0.005 0.000 1.065 1229 M CA 0.857 56.166 55.300 0.015 0.000 1.114 1229 M CB -0.367 32.175 32.600 -0.097 0.000 1.361 1229 M HN 0.116 nan 8.290 nan 0.000 0.408 1230 V N 0.386 120.251 119.914 -0.082 0.000 2.295 1230 V HA -0.269 3.852 4.120 0.001 0.000 0.246 1230 V C 2.474 178.498 176.094 -0.117 0.000 1.049 1230 V CA 1.480 63.711 62.300 -0.114 0.000 1.024 1230 V CB -0.465 31.244 31.823 -0.189 0.000 0.648 1230 V HN 0.479 nan 8.190 nan 0.000 0.447 1231 M N -0.737 118.775 119.600 -0.147 0.000 2.419 1231 M HA -0.058 4.423 4.480 0.001 0.000 0.264 1231 M C 2.105 178.480 176.300 0.125 0.000 1.082 1231 M CA 1.387 56.591 55.300 -0.160 0.000 1.119 1231 M CB -1.414 30.910 32.600 -0.460 0.000 1.398 1231 M HN 0.359 nan 8.290 nan 0.000 0.453 1232 T N 0.704 115.385 114.554 0.213 0.000 2.985 1232 T HA 0.171 4.521 4.350 0.001 0.000 0.266 1232 T C 0.879 175.764 174.700 0.308 0.000 1.076 1232 T CA 0.516 62.813 62.100 0.328 0.000 1.135 1232 T CB -0.119 68.967 68.868 0.363 0.000 0.890 1232 T HN 0.395 nan 8.240 nan 0.000 0.480 1233 A N 2.240 125.166 122.820 0.176 0.000 2.396 1233 A HA 0.438 4.758 4.320 0.001 0.000 0.279 1233 A C 0.631 178.226 177.584 0.018 0.000 1.165 1233 A CA -0.293 51.806 52.037 0.103 0.000 0.824 1233 A CB -0.219 18.812 19.000 0.051 0.000 1.100 1233 A HN 0.221 nan 8.150 nan 0.000 0.516 1234 T N 2.361 116.911 114.554 -0.006 0.000 2.933 1234 T HA 0.429 4.780 4.350 0.001 0.000 0.306 1234 T C 1.064 175.680 174.700 -0.140 0.000 1.045 1234 T CA 1.686 63.706 62.100 -0.133 0.000 1.143 1234 T CB 0.060 68.889 68.868 -0.064 0.000 1.003 1234 T HN 2.140 nan 8.240 nan 0.000 0.540 1235 G N 1.410 110.073 108.800 -0.228 0.000 2.428 1235 G HA2 -0.077 3.883 3.960 0.001 0.000 0.202 1235 G HA3 -0.077 3.883 3.960 0.001 0.000 0.202 1235 G C -0.213 174.589 174.900 -0.162 0.000 1.247 1235 G CA -0.498 44.503 45.100 -0.165 0.000 1.020 1235 G HN 1.445 nan 8.290 nan 0.000 0.529 1236 V N -0.623 119.212 119.914 -0.132 0.000 2.740 1236 V HA 0.640 4.760 4.120 0.001 0.000 0.303 1236 V C 1.234 177.231 176.094 -0.161 0.000 1.054 1236 V CA 0.331 62.538 62.300 -0.155 0.000 1.106 1236 V CB 0.477 32.224 31.823 -0.126 0.000 0.957 1236 V HN 2.488 nan 8.190 nan 0.000 0.486 1237 A N 4.207 126.900 122.820 -0.213 0.000 2.498 1237 A HA 0.549 4.869 4.320 0.001 0.000 0.239 1237 A C 0.030 177.510 177.584 -0.173 0.000 1.068 1237 A CA 0.006 51.906 52.037 -0.228 0.000 0.766 1237 A CB 0.373 19.187 19.000 -0.311 0.000 1.003 1237 A HN 1.245 nan 8.150 nan 0.000 0.497 1238 V N 1.899 121.736 119.914 -0.128 0.000 3.046 1238 V HA 0.314 4.434 4.120 0.001 0.000 0.316 1238 V C -0.479 175.597 176.094 -0.030 0.000 1.104 1238 V CA -0.779 61.485 62.300 -0.060 0.000 1.006 1238 V CB 2.159 33.970 31.823 -0.020 0.000 1.058 1238 V HN 0.972 nan 8.190 nan 0.000 0.440 1239 D N 2.232 122.661 120.400 0.049 0.000 2.304 1239 D HA 0.409 5.050 4.640 0.001 0.000 0.250 1239 D C -0.522 175.834 176.300 0.094 0.000 1.107 1239 D CA 0.375 54.420 54.000 0.076 0.000 0.885 1239 D CB 1.648 42.548 40.800 0.168 0.000 1.192 1239 D HN 0.388 nan 8.370 nan 0.000 0.436 1240 I N 2.471 123.035 120.570 -0.009 0.000 2.509 1240 I HA 0.307 4.478 4.170 0.001 0.000 0.293 1240 I C -1.388 174.808 176.117 0.131 0.000 1.020 1240 I CA -0.839 60.531 61.300 0.116 0.000 1.088 1240 I CB 1.155 39.146 38.000 -0.016 0.000 1.267 1240 I HN 0.236 nan 8.210 nan 0.000 0.430 1241 Y N 6.710 127.207 120.300 0.328 0.000 2.341 1241 Y HA 0.363 4.914 4.550 0.001 0.000 0.338 1241 Y C -0.209 175.896 175.900 0.342 0.000 0.965 1241 Y CA -0.951 57.335 58.100 0.309 0.000 1.108 1241 Y CB 1.837 40.387 38.460 0.149 0.000 1.180 1241 Y HN 0.425 nan 8.280 nan 0.000 0.458 1242 L N 3.216 124.594 121.223 0.259 0.000 2.559 1242 L HA 0.017 4.357 4.340 0.001 0.000 0.274 1242 L C 0.802 177.566 176.870 -0.177 0.000 1.205 1242 L CA 0.697 55.301 54.840 -0.394 0.000 0.907 1242 L CB 0.658 42.411 42.059 -0.510 0.000 1.153 1242 L HN 0.809 nan 8.230 nan 0.000 0.490 1243 E N 2.385 122.458 120.200 -0.212 0.000 2.332 1243 E HA 0.168 4.518 4.350 0.001 0.000 0.202 1243 E C -0.704 175.893 176.600 -0.004 0.000 0.877 1243 E CA 0.468 56.849 56.400 -0.032 0.000 0.979 1243 E CB 0.407 30.142 29.700 0.058 0.000 0.969 1243 E HN 0.783 nan 8.360 nan 0.000 0.495 1244 D N -1.416 118.910 120.400 -0.124 0.000 2.683 1244 D HA 0.332 4.972 4.640 0.001 0.000 0.246 1244 D C -1.559 174.681 176.300 -0.101 0.000 1.238 1244 D CA -0.432 53.538 54.000 -0.051 0.000 0.759 1244 D CB 1.105 41.916 40.800 0.018 0.000 1.349 1244 D HN 0.020 nan 8.370 nan 0.000 0.426 1245 I N 3.579 124.120 120.570 -0.050 0.000 2.476 1245 I HA 0.153 4.324 4.170 0.001 0.000 0.281 1245 I C 1.430 177.551 176.117 0.006 0.000 1.040 1245 I CA -0.735 60.545 61.300 -0.033 0.000 1.094 1245 I CB 1.663 39.628 38.000 -0.058 0.000 1.219 1245 I HN 0.599 nan 8.210 nan 0.000 0.450 1246 H N 5.817 124.863 119.070 -0.041 0.000 2.260 1246 H HA -0.221 4.336 4.556 0.001 0.000 0.288 1246 H C 1.519 176.828 175.328 -0.030 0.000 1.094 1246 H CA 2.581 58.608 56.048 -0.034 0.000 1.197 1246 H CB 0.393 30.135 29.762 -0.034 0.000 1.346 1246 H HN 0.735 nan 8.280 nan 0.000 0.486 1247 G N -0.537 108.091 108.800 -0.286 0.000 3.448 1247 G HA2 0.401 4.361 3.960 0.001 0.000 0.261 1247 G HA3 0.401 4.361 3.960 0.001 0.000 0.261 1247 G C 0.130 174.932 174.900 -0.164 0.000 1.173 1247 G CA 0.543 45.447 45.100 -0.326 0.000 0.835 1247 G HN 0.853 nan 8.290 nan 0.000 0.534 1248 G N -1.409 107.317 108.800 -0.123 0.000 2.733 1248 G HA2 0.189 4.149 3.960 0.001 0.000 0.686 1248 G HA3 0.189 4.149 3.960 0.001 0.000 0.686 1248 G C 1.068 175.926 174.900 -0.069 0.000 1.373 1248 G CA -0.379 44.672 45.100 -0.082 0.000 0.838 1248 G HN 0.943 nan 8.290 nan 0.000 0.588 1249 G N -0.185 108.577 108.800 -0.065 0.000 2.432 1249 G HA2 -0.152 3.808 3.960 0.001 0.000 0.219 1249 G HA3 -0.152 3.808 3.960 0.001 0.000 0.219 1249 G C 1.639 176.497 174.900 -0.070 0.000 1.135 1249 G CA 1.660 46.716 45.100 -0.073 0.000 0.767 1249 G HN 0.886 nan 8.290 nan 0.000 0.550 1250 R N 0.255 120.723 120.500 -0.052 0.000 2.066 1250 R HA -0.041 4.299 4.340 0.001 0.000 0.232 1250 R C 2.788 179.079 176.300 -0.014 0.000 1.131 1250 R CA 1.588 57.671 56.100 -0.028 0.000 0.955 1250 R CB -0.256 30.033 30.300 -0.017 0.000 0.851 1250 R HN 0.339 nan 8.270 nan 0.000 0.432 1251 S N 1.137 116.818 115.700 -0.032 0.000 2.368 1251 S HA -0.148 4.322 4.470 0.001 0.000 0.225 1251 S C 1.717 176.285 174.600 -0.053 0.000 1.030 1251 S CA 1.034 59.214 58.200 -0.032 0.000 0.999 1251 S CB -0.287 62.883 63.200 -0.051 0.000 0.844 1251 S HN 0.249 nan 8.310 nan 0.000 0.459 1252 L N 2.226 123.400 121.223 -0.082 0.000 2.046 1252 L HA 0.012 4.352 4.340 0.001 0.000 0.208 1252 L C 2.276 179.070 176.870 -0.128 0.000 1.077 1252 L CA 2.032 56.770 54.840 -0.170 0.000 0.747 1252 L CB -1.380 40.611 42.059 -0.112 0.000 0.896 1252 L HN 0.301 nan 8.230 nan 0.000 0.432 1253 G N -1.420 107.399 108.800 0.031 0.000 2.446 1253 G HA2 -0.277 3.683 3.960 0.001 0.000 0.217 1253 G HA3 -0.277 3.683 3.960 0.001 0.000 0.217 1253 G C 1.415 176.543 174.900 0.380 0.000 1.168 1253 G CA 0.627 45.871 45.100 0.241 0.000 0.771 1253 G HN 0.435 nan 8.290 nan 0.000 0.551 1254 Q N 0.008 119.924 119.800 0.194 0.000 2.084 1254 Q HA -0.057 4.284 4.340 0.001 0.000 0.202 1254 Q C 2.562 178.650 176.000 0.147 0.000 0.978 1254 Q CA 1.113 57.020 55.803 0.174 0.000 0.844 1254 Q CB -0.389 28.408 28.738 0.098 0.000 0.898 1254 Q HN 0.509 nan 8.270 nan 0.000 0.426 1255 R N -0.373 120.147 120.500 0.033 0.000 2.083 1255 R HA -0.143 4.197 4.340 0.001 0.000 0.237 1255 R C 2.088 178.429 176.300 0.069 0.000 1.137 1255 R CA 1.460 57.534 56.100 -0.043 0.000 0.951 1255 R CB -0.157 29.995 30.300 -0.246 0.000 0.851 1255 R HN 0.150 nan 8.270 nan 0.000 0.434 1256 F N -0.269 119.828 119.950 0.246 0.000 2.259 1256 F HA -0.036 4.491 4.527 0.001 0.000 0.298 1256 F C 2.164 178.146 175.800 0.304 0.000 1.088 1256 F CA 0.923 59.101 58.000 0.298 0.000 1.358 1256 F CB -0.305 38.934 39.000 0.398 0.000 1.040 1256 F HN 0.005 nan 8.300 nan 0.000 0.505 1257 M N -0.929 118.934 119.600 0.439 0.000 2.175 1257 M HA -0.164 4.316 4.480 0.001 0.000 0.264 1257 M C 2.098 178.519 176.300 0.202 0.000 1.063 1257 M CA 1.553 57.005 55.300 0.255 0.000 1.119 1257 M CB -0.732 32.001 32.600 0.221 0.000 1.377 1257 M HN 0.011 nan 8.290 nan 0.000 0.415 1258 T N -0.642 114.036 114.554 0.206 0.000 2.746 1258 T HA -0.213 4.137 4.350 0.001 0.000 0.267 1258 T C 1.108 175.906 174.700 0.164 0.000 1.039 1258 T CA 1.371 63.559 62.100 0.148 0.000 1.142 1258 T CB -0.310 68.635 68.868 0.128 0.000 0.866 1258 T HN 0.600 nan 8.240 nan 0.000 0.444 1259 W N 1.326 122.688 121.300 0.102 0.000 2.381 1259 W HA -0.021 4.640 4.660 0.001 0.000 0.301 1259 W C 2.084 178.653 176.519 0.083 0.000 1.205 1259 W CA 1.030 58.434 57.345 0.098 0.000 1.285 1259 W CB -0.305 29.238 29.460 0.138 0.000 1.133 1259 W HN 0.176 nan 8.180 nan 0.000 0.521 1260 M N 0.408 120.151 119.600 0.238 0.000 2.117 1260 M HA -0.200 4.281 4.480 0.001 0.000 0.262 1260 M C 2.211 178.447 176.300 -0.107 0.000 1.065 1260 M CA 2.275 57.601 55.300 0.044 0.000 1.114 1260 M CB -0.578 32.087 32.600 0.107 0.000 1.361 1260 M HN 0.071 nan 8.290 nan 0.000 0.408 1261 R N -0.166 120.314 120.500 -0.033 0.000 2.275 1261 R HA -0.019 4.322 4.340 0.001 0.000 0.199 1261 R C 1.456 177.751 176.300 -0.008 0.000 0.989 1261 R CA 0.747 56.855 56.100 0.012 0.000 1.016 1261 R CB -0.213 30.120 30.300 0.055 0.000 0.918 1261 R HN 0.421 nan 8.270 nan 0.000 0.473 1262 Q N 0.689 120.393 119.800 -0.160 0.000 2.408 1262 Q HA 0.081 4.421 4.340 0.001 0.000 0.205 1262 Q C -0.279 175.546 176.000 -0.292 0.000 0.919 1262 Q CA -0.092 55.583 55.803 -0.214 0.000 0.932 1262 Q CB 0.584 29.214 28.738 -0.180 0.000 1.058 1262 Q HN 0.247 nan 8.270 nan 0.000 0.517 1263 E N 1.169 121.125 120.200 -0.407 0.000 2.757 1263 E HA -0.016 4.334 4.350 0.001 0.000 0.238 1263 E C 0.136 176.636 176.600 -0.167 0.000 1.057 1263 E CA 0.759 56.934 56.400 -0.375 0.000 0.952 1263 E CB -0.225 29.192 29.700 -0.473 0.000 0.934 1263 E HN 0.468 nan 8.360 nan 0.000 0.518 1264 G N 3.962 112.679 108.800 -0.140 0.000 2.531 1264 G HA2 -0.288 3.673 3.960 0.001 0.000 0.283 1264 G HA3 -0.288 3.673 3.960 0.001 0.000 0.283 1264 G C 0.124 174.967 174.900 -0.095 0.000 1.068 1264 G CA 0.022 45.074 45.100 -0.081 0.000 1.273 1264 G HN 0.439 nan 8.290 nan 0.000 0.532 1265 R N 0.000 120.410 120.500 -0.149 0.000 2.786 1265 R HA 0.000 4.340 4.340 0.001 0.000 0.208 1265 R CA 0.000 55.969 56.100 -0.218 0.000 0.921 1265 R CB 0.000 30.106 30.300 -0.323 0.000 0.687 1265 R HN 0.000 nan 8.270 nan 0.000 0.535