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 1z7q_1_p DATA FIRST_RESID 1002 DATA SEQUENCE PPKRAALIQN LRDSYTETSS FAVIEEWAAG TLQEIEGIAK AAAEAHGVIR DATA SEQUENCE NSTYGRAQAE KSPEQLLGVL QRYQDLCHNV YCQAETIRTV IAIRIPEHKE DATA SEQUENCE EDNLGVAVQH AVLKIIDELE IKTLGSGEKS GSGGAPTPIG MYALREYLSA DATA SEQUENCE RSTVEDKLLG VDAESGKTKG GGSQSPSLLL ELRQIDADFM LKVELATTHL DATA SEQUENCE STMVRAVINA YLLNWKKLIQ PRTGSDHMVS 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 1002 P HA 0.000 nan 4.420 nan 0.000 0.216 1002 P C 0.000 177.303 177.300 0.005 0.000 1.155 1002 P CA 0.000 63.103 63.100 0.005 0.000 0.800 1002 P CB 0.000 31.703 31.700 0.004 0.000 0.726 1003 P HA 0.056 nan 4.420 nan 0.000 0.230 1003 P C 1.321 178.625 177.300 0.006 0.000 1.168 1003 P CA 0.659 63.762 63.100 0.005 0.000 0.793 1003 P CB 0.967 32.669 31.700 0.005 0.000 0.851 1004 K N 0.530 120.934 120.400 0.007 0.000 2.137 1004 K HA 0.037 4.357 4.320 -0.000 0.000 0.202 1004 K C 2.281 178.886 176.600 0.008 0.000 1.052 1004 K CA 0.384 56.675 56.287 0.007 0.000 0.961 1004 K CB 0.068 32.572 32.500 0.007 0.000 0.741 1004 K HN -0.121 nan 8.250 nan 0.000 0.452 1005 R N 0.069 120.573 120.500 0.007 0.000 2.148 1005 R HA -0.033 4.307 4.340 -0.000 0.000 0.227 1005 R C 2.215 178.520 176.300 0.008 0.000 1.103 1005 R CA 1.133 57.238 56.100 0.008 0.000 0.983 1005 R CB -0.173 30.131 30.300 0.007 0.000 0.874 1005 R HN 0.191 nan 8.270 nan 0.000 0.451 1006 A N 1.084 123.909 122.820 0.008 0.000 1.929 1006 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 1006 A C 2.314 179.905 177.584 0.011 0.000 1.176 1006 A CA 1.336 53.378 52.037 0.009 0.000 0.628 1006 A CB -0.489 18.516 19.000 0.007 0.000 0.816 1006 A HN 0.358 nan 8.150 nan 0.000 0.444 1007 A N 0.221 123.048 122.820 0.011 0.000 1.845 1007 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 1007 A C 2.149 179.743 177.584 0.015 0.000 1.195 1007 A CA 1.539 53.583 52.037 0.013 0.000 0.616 1007 A CB -0.836 18.171 19.000 0.012 0.000 0.832 1007 A HN 0.457 nan 8.150 nan 0.000 0.443 1008 L N -0.486 120.746 121.223 0.014 0.000 1.997 1008 L HA -0.268 4.072 4.340 -0.000 0.000 0.216 1008 L C 2.551 179.432 176.870 0.018 0.000 1.074 1008 L CA 1.819 56.669 54.840 0.016 0.000 0.763 1008 L CB -0.634 41.433 42.059 0.013 0.000 0.890 1008 L HN 0.416 nan 8.230 nan 0.000 0.434 1009 I N -0.893 119.686 120.570 0.015 0.000 2.361 1009 I HA -0.280 3.890 4.170 -0.000 0.000 0.251 1009 I C 2.622 178.751 176.117 0.021 0.000 1.133 1009 I CA 0.864 62.173 61.300 0.015 0.000 1.413 1009 I CB -0.192 37.815 38.000 0.011 0.000 1.073 1009 I HN 0.356 nan 8.210 nan 0.000 0.424 1010 Q N 1.577 121.390 119.800 0.021 0.000 2.016 1010 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 1010 Q C 1.918 177.937 176.000 0.032 0.000 0.978 1010 Q CA 1.792 57.609 55.803 0.024 0.000 0.833 1010 Q CB -0.202 28.547 28.738 0.020 0.000 0.895 1010 Q HN 0.396 nan 8.270 nan 0.000 0.427 1011 N N 0.152 118.871 118.700 0.032 0.000 2.149 1011 N HA -0.171 4.569 4.740 -0.000 0.000 0.188 1011 N C 1.785 177.331 175.510 0.059 0.000 1.019 1011 N CA 1.105 54.179 53.050 0.040 0.000 0.857 1011 N CB -0.360 38.148 38.487 0.035 0.000 0.997 1011 N HN 0.280 nan 8.380 nan 0.000 0.426 1012 L N 0.982 122.238 121.223 0.054 0.000 1.989 1012 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 1012 L C 2.258 179.187 176.870 0.098 0.000 1.071 1012 L CA 1.372 56.252 54.840 0.066 0.000 0.749 1012 L CB -0.163 41.913 42.059 0.028 0.000 0.890 1012 L HN 0.142 nan 8.230 nan 0.000 0.431 1013 R N -0.543 120.000 120.500 0.072 0.000 2.280 1013 R HA -0.090 4.250 4.340 -0.000 0.000 0.207 1013 R C 1.304 177.659 176.300 0.091 0.000 1.043 1013 R CA 0.625 56.775 56.100 0.083 0.000 1.006 1013 R CB -0.104 30.228 30.300 0.054 0.000 0.885 1013 R HN 0.429 nan 8.270 nan 0.000 0.467 1014 D N -0.425 120.022 120.400 0.079 0.000 2.305 1014 D HA 0.021 4.661 4.640 -0.000 0.000 0.206 1014 D C 1.420 177.753 176.300 0.056 0.000 0.974 1014 D CA 0.780 54.815 54.000 0.057 0.000 0.871 1014 D CB 0.316 41.139 40.800 0.039 0.000 0.947 1014 D HN 0.014 nan 8.370 nan 0.000 0.516 1015 S N -0.174 115.588 115.700 0.104 0.000 2.414 1015 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 1015 S C 0.235 174.818 174.600 -0.028 0.000 1.022 1015 S CA 0.573 58.819 58.200 0.078 0.000 0.958 1015 S CB 0.090 63.427 63.200 0.227 0.000 0.797 1015 S HN 0.239 nan 8.310 nan 0.000 0.493 1016 Y N 2.222 122.526 120.300 0.007 0.000 2.787 1016 Y HA 0.320 4.870 4.550 -0.000 0.000 0.352 1016 Y C 0.728 176.638 175.900 0.016 0.000 1.027 1016 Y CA -1.326 56.778 58.100 0.007 0.000 1.219 1016 Y CB -0.000 38.463 38.460 0.005 0.000 1.110 1016 Y HN 0.064 nan 8.280 nan 0.000 0.614 1017 T N -3.227 111.384 114.554 0.095 0.000 2.770 1017 T HA 0.094 4.444 4.350 -0.000 0.000 0.281 1017 T C 1.256 176.013 174.700 0.095 0.000 0.981 1017 T CA -0.503 61.647 62.100 0.083 0.000 0.955 1017 T CB 1.149 70.045 68.868 0.046 0.000 1.060 1017 T HN 0.483 nan 8.240 nan 0.000 0.531 1018 E N -0.006 120.254 120.200 0.100 0.000 2.204 1018 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 1018 E C 1.938 178.600 176.600 0.104 0.000 0.989 1018 E CA 1.164 57.643 56.400 0.130 0.000 0.824 1018 E CB -0.676 29.106 29.700 0.137 0.000 0.756 1018 E HN 0.782 nan 8.360 nan 0.000 0.477 1019 T N 0.328 114.921 114.554 0.064 0.000 2.788 1019 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 1019 T C 2.015 176.731 174.700 0.026 0.000 1.044 1019 T CA 1.377 63.516 62.100 0.065 0.000 1.139 1019 T CB -0.125 68.760 68.868 0.029 0.000 0.867 1019 T HN 0.112 nan 8.240 nan 0.000 0.454 1020 S N 1.891 117.586 115.700 -0.008 0.000 2.356 1020 S HA -0.140 4.330 4.470 -0.000 0.000 0.223 1020 S C 2.531 177.075 174.600 -0.092 0.000 1.032 1020 S CA 1.544 59.705 58.200 -0.065 0.000 1.005 1020 S CB -0.462 62.694 63.200 -0.074 0.000 0.867 1020 S HN 0.761 nan 8.310 nan 0.000 0.449 1021 S N 1.138 116.809 115.700 -0.048 0.000 2.414 1021 S HA 0.013 4.483 4.470 -0.000 0.000 0.227 1021 S C 1.631 176.054 174.600 -0.295 0.000 1.022 1021 S CA 0.462 58.564 58.200 -0.163 0.000 0.958 1021 S CB -0.633 62.537 63.200 -0.050 0.000 0.797 1021 S HN 0.416 nan 8.310 nan 0.000 0.493 1022 F N 3.249 123.026 119.950 -0.287 0.000 2.234 1022 F HA 0.252 4.779 4.527 -0.000 0.000 0.299 1022 F C 2.408 178.017 175.800 -0.317 0.000 1.087 1022 F CA 0.194 58.000 58.000 -0.323 0.000 1.340 1022 F CB -1.011 37.869 39.000 -0.200 0.000 1.031 1022 F HN 0.285 nan 8.300 nan 0.000 0.500 1023 A N -0.031 122.553 122.820 -0.393 0.000 1.902 1023 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 1023 A C 2.328 179.620 177.584 -0.486 0.000 1.181 1023 A CA 2.019 53.784 52.037 -0.454 0.000 0.623 1023 A CB -1.386 17.457 19.000 -0.261 0.000 0.818 1023 A HN 0.234 nan 8.150 nan 0.000 0.443 1024 V N 0.599 120.211 119.914 -0.502 0.000 2.407 1024 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 1024 V C 2.375 177.890 176.094 -0.966 0.000 1.055 1024 V CA 1.675 63.564 62.300 -0.684 0.000 1.049 1024 V CB -0.713 30.664 31.823 -0.744 0.000 0.662 1024 V HN 0.518 nan 8.190 nan 0.000 0.455 1025 I N 0.018 120.092 120.570 -0.827 0.000 2.353 1025 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 1025 I C 2.502 178.380 176.117 -0.397 0.000 1.119 1025 I CA 1.394 62.309 61.300 -0.642 0.000 1.417 1025 I CB -1.137 36.570 38.000 -0.489 0.000 1.078 1025 I HN 0.453 nan 8.210 nan 0.000 0.421 1026 E N 0.541 120.425 120.200 -0.527 0.000 2.077 1026 E HA -0.272 4.078 4.350 -0.000 0.000 0.193 1026 E C 2.022 178.503 176.600 -0.199 0.000 0.989 1026 E CA 1.258 57.423 56.400 -0.391 0.000 0.800 1026 E CB -0.031 29.343 29.700 -0.543 0.000 0.746 1026 E HN 0.328 nan 8.360 nan 0.000 0.452 1027 E N 0.456 120.536 120.200 -0.200 0.000 2.058 1027 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 1027 E C 1.525 178.212 176.600 0.145 0.000 0.997 1027 E CA 1.343 57.719 56.400 -0.039 0.000 0.801 1027 E CB -0.272 29.408 29.700 -0.033 0.000 0.746 1027 E HN 0.291 nan 8.360 nan 0.000 0.450 1028 W N 0.549 121.775 121.300 -0.123 0.000 2.402 1028 W HA 0.142 4.802 4.660 -0.000 0.000 0.286 1028 W C 2.389 178.863 176.519 -0.075 0.000 1.221 1028 W CA 0.945 58.235 57.345 -0.091 0.000 1.257 1028 W CB -1.250 28.155 29.460 -0.091 0.000 1.120 1028 W HN 0.251 nan 8.180 nan 0.000 0.551 1029 A N 0.019 122.920 122.820 0.136 0.000 1.902 1029 A HA 0.085 4.405 4.320 -0.000 0.000 0.217 1029 A C 2.099 179.705 177.584 0.037 0.000 1.181 1029 A CA 2.813 54.889 52.037 0.064 0.000 0.623 1029 A CB -0.841 18.164 19.000 0.010 0.000 0.818 1029 A HN 0.126 nan 8.150 nan 0.000 0.443 1030 A N -1.567 121.265 122.820 0.021 0.000 2.417 1030 A HA 0.487 4.807 4.320 -0.000 0.000 0.224 1030 A C 2.333 179.924 177.584 0.010 0.000 2.273 1030 A CA 1.091 53.132 52.037 0.007 0.000 1.018 1030 A CB -1.352 17.640 19.000 -0.013 0.000 1.400 1030 A HN 0.753 nan 8.150 nan 0.000 0.580 1031 G N -0.292 108.512 108.800 0.007 0.000 2.672 1031 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 1031 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 1031 G C 1.496 176.400 174.900 0.006 0.000 1.238 1031 G CA 2.192 47.295 45.100 0.005 0.000 0.791 1031 G HN 0.462 nan 8.290 nan 0.000 0.606 1032 T N 1.068 115.639 114.554 0.028 0.000 2.803 1032 T HA -0.026 4.324 4.350 -0.000 0.000 0.269 1032 T C 2.366 177.030 174.700 -0.059 0.000 1.052 1032 T CA 0.942 63.030 62.100 -0.020 0.000 1.136 1032 T CB -0.135 68.713 68.868 -0.033 0.000 0.864 1032 T HN 0.131 nan 8.240 nan 0.000 0.467 1033 L N 0.366 121.572 121.223 -0.029 0.000 2.072 1033 L HA -0.077 4.263 4.340 -0.000 0.000 0.205 1033 L C 2.830 179.684 176.870 -0.027 0.000 1.079 1033 L CA 1.272 56.090 54.840 -0.038 0.000 0.752 1033 L CB -0.389 41.663 42.059 -0.012 0.000 0.906 1033 L HN 0.313 nan 8.230 nan 0.000 0.436 1034 Q N -0.592 119.199 119.800 -0.015 0.000 2.167 1034 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 1034 Q C 1.957 177.949 176.000 -0.013 0.000 0.970 1034 Q CA 1.441 57.237 55.803 -0.011 0.000 0.855 1034 Q CB -0.017 28.717 28.738 -0.007 0.000 0.911 1034 Q HN 0.287 nan 8.270 nan 0.000 0.438 1035 E N 1.298 121.487 120.200 -0.019 0.000 2.077 1035 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 1035 E C 1.632 178.224 176.600 -0.014 0.000 0.989 1035 E CA 1.204 57.594 56.400 -0.017 0.000 0.800 1035 E CB -0.190 29.494 29.700 -0.026 0.000 0.746 1035 E HN 0.365 nan 8.360 nan 0.000 0.452 1036 I N 0.542 121.096 120.570 -0.027 0.000 2.252 1036 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 1036 I C 2.531 178.645 176.117 -0.004 0.000 1.102 1036 I CA 1.601 62.892 61.300 -0.015 0.000 1.385 1036 I CB -0.388 37.586 38.000 -0.044 0.000 1.064 1036 I HN 0.266 nan 8.210 nan 0.000 0.414 1037 E N 1.284 121.477 120.200 -0.012 0.000 2.265 1037 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 1037 E C 2.177 178.775 176.600 -0.004 0.000 0.996 1037 E CA 1.227 57.622 56.400 -0.008 0.000 0.832 1037 E CB -0.094 29.601 29.700 -0.009 0.000 0.756 1037 E HN 0.485 nan 8.360 nan 0.000 0.491 1038 G N 1.089 109.888 108.800 -0.001 0.000 2.395 1038 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.214 1038 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.214 1038 G C 1.553 176.457 174.900 0.007 0.000 1.177 1038 G CA 0.547 45.648 45.100 0.002 0.000 0.794 1038 G HN 0.262 nan 8.290 nan 0.000 0.532 1039 I N 1.595 122.175 120.570 0.017 0.000 2.567 1039 I HA -0.137 4.033 4.170 -0.000 0.000 0.257 1039 I C 3.138 179.261 176.117 0.009 0.000 1.184 1039 I CA 0.553 61.871 61.300 0.029 0.000 1.451 1039 I CB -0.078 37.968 38.000 0.077 0.000 1.089 1039 I HN 0.250 nan 8.210 nan 0.000 0.441 1040 A N 2.217 125.038 122.820 0.002 0.000 1.845 1040 A HA -0.227 4.093 4.320 -0.000 0.000 0.215 1040 A C 2.327 179.900 177.584 -0.020 0.000 1.195 1040 A CA 1.974 54.002 52.037 -0.015 0.000 0.616 1040 A CB -0.474 18.518 19.000 -0.013 0.000 0.832 1040 A HN 0.515 nan 8.150 nan 0.000 0.443 1041 K N -0.587 119.807 120.400 -0.010 0.000 2.365 1041 K HA 0.329 4.649 4.320 -0.000 0.000 0.197 1041 K C 1.857 178.457 176.600 -0.001 0.000 1.042 1041 K CA 0.940 57.223 56.287 -0.007 0.000 0.987 1041 K CB -0.258 32.240 32.500 -0.004 0.000 0.779 1041 K HN 0.260 nan 8.250 nan 0.000 0.484 1042 A N 1.899 124.719 122.820 0.001 0.000 1.933 1042 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 1042 A C 2.337 179.924 177.584 0.005 0.000 1.175 1042 A CA 1.656 53.696 52.037 0.005 0.000 0.628 1042 A CB -0.497 18.509 19.000 0.008 0.000 0.814 1042 A HN 0.468 nan 8.150 nan 0.000 0.444 1043 A N -1.197 121.619 122.820 -0.006 0.000 2.238 1043 A HA 0.565 4.885 4.320 -0.000 0.000 0.210 1043 A C 2.136 179.730 177.584 0.016 0.000 1.179 1043 A CA 1.101 53.135 52.037 -0.005 0.000 0.827 1043 A CB -0.446 18.527 19.000 -0.044 0.000 0.856 1043 A HN 0.780 nan 8.150 nan 0.000 0.488 1044 A N 1.244 124.066 122.820 0.003 0.000 1.898 1044 A HA -0.103 4.217 4.320 -0.000 0.000 0.214 1044 A C 1.923 179.536 177.584 0.048 0.000 1.183 1044 A CA 1.427 53.465 52.037 0.002 0.000 0.622 1044 A CB -0.435 18.554 19.000 -0.018 0.000 0.824 1044 A HN 0.686 nan 8.150 nan 0.000 0.444 1045 E N -0.246 119.978 120.200 0.039 0.000 2.216 1045 E HA 0.146 4.496 4.350 -0.000 0.000 0.192 1045 E C 1.820 178.454 176.600 0.057 0.000 0.988 1045 E CA 0.745 57.172 56.400 0.045 0.000 0.834 1045 E CB -0.300 29.416 29.700 0.027 0.000 0.772 1045 E HN 0.430 nan 8.360 nan 0.000 0.479 1046 A N 1.719 124.573 122.820 0.056 0.000 2.014 1046 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 1046 A C 2.089 179.718 177.584 0.076 0.000 1.163 1046 A CA 1.359 53.428 52.037 0.052 0.000 0.652 1046 A CB -0.798 18.223 19.000 0.036 0.000 0.808 1046 A HN 0.424 nan 8.150 nan 0.000 0.449 1047 H N -0.389 118.682 119.070 0.002 0.000 2.482 1047 H HA 0.019 4.575 4.556 -0.000 0.000 0.286 1047 H C 2.081 177.417 175.328 0.013 0.000 1.017 1047 H CA 1.359 57.410 56.048 0.005 0.000 1.322 1047 H CB -0.182 29.574 29.762 -0.010 0.000 1.426 1047 H HN 0.397 nan 8.280 nan 0.000 0.546 1048 G N 0.424 109.314 108.800 0.149 0.000 2.421 1048 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.217 1048 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.217 1048 G C 1.830 176.750 174.900 0.033 0.000 1.143 1048 G CA 0.747 45.906 45.100 0.098 0.000 0.784 1048 G HN 0.306 nan 8.290 nan 0.000 0.541 1049 V N 1.510 121.441 119.914 0.028 0.000 2.261 1049 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 1049 V C 2.751 178.858 176.094 0.021 0.000 1.047 1049 V CA 1.526 63.840 62.300 0.023 0.000 1.015 1049 V CB -0.438 31.401 31.823 0.026 0.000 0.642 1049 V HN 0.386 nan 8.190 nan 0.000 0.446 1050 I N -0.062 120.511 120.570 0.004 0.000 2.567 1050 I HA -0.235 3.935 4.170 -0.000 0.000 0.257 1050 I C 2.654 178.760 176.117 -0.018 0.000 1.184 1050 I CA 1.479 62.798 61.300 0.030 0.000 1.451 1050 I CB -0.462 37.524 38.000 -0.024 0.000 1.089 1050 I HN 0.268 nan 8.210 nan 0.000 0.441 1051 R N 1.445 121.898 120.500 -0.078 0.000 2.148 1051 R HA -0.058 4.282 4.340 -0.000 0.000 0.223 1051 R C 0.751 177.050 176.300 -0.003 0.000 1.088 1051 R CA 1.047 57.109 56.100 -0.064 0.000 0.985 1051 R CB 0.084 30.352 30.300 -0.054 0.000 0.880 1051 R HN 0.350 nan 8.270 nan 0.000 0.451 1052 N N 0.546 119.256 118.700 0.016 0.000 2.380 1052 N HA 0.113 4.853 4.740 -0.000 0.000 0.255 1052 N C -1.108 174.425 175.510 0.039 0.000 1.158 1052 N CA 0.055 53.120 53.050 0.026 0.000 0.878 1052 N CB 1.445 39.945 38.487 0.021 0.000 1.138 1052 N HN -0.007 nan 8.380 nan 0.000 0.509 1053 S N -0.505 115.237 115.700 0.070 0.000 2.599 1053 S HA 0.526 4.996 4.470 -0.000 0.000 0.294 1053 S C -0.115 174.573 174.600 0.147 0.000 1.094 1053 S CA -0.532 57.724 58.200 0.093 0.000 0.931 1053 S CB 2.387 65.656 63.200 0.115 0.000 1.093 1053 S HN -0.007 nan 8.310 nan 0.000 0.488 1054 T N 2.574 117.192 114.554 0.107 0.000 2.770 1054 T HA 0.442 4.792 4.350 -0.000 0.000 0.283 1054 T C -1.270 173.515 174.700 0.142 0.000 0.988 1054 T CA -0.229 61.949 62.100 0.130 0.000 0.957 1054 T CB 0.151 69.054 68.868 0.059 0.000 0.930 1054 T HN 0.387 nan 8.240 nan 0.000 0.443 1055 Y N 1.807 122.102 120.300 -0.008 0.000 2.316 1055 Y HA 0.591 5.141 4.550 0.000 0.000 0.331 1055 Y C 0.956 176.851 175.900 -0.007 0.000 1.083 1055 Y CA -0.134 57.961 58.100 -0.008 0.000 1.206 1055 Y CB 1.180 39.635 38.460 -0.008 0.000 1.195 1055 Y HN 0.837 nan 8.280 nan 0.000 0.497 1056 G N 2.080 110.906 108.800 0.043 0.000 3.015 1056 G HA2 0.279 4.239 3.960 -0.000 0.000 0.281 1056 G HA3 0.279 4.239 3.960 -0.000 0.000 0.281 1056 G C 0.308 175.219 174.900 0.019 0.000 1.386 1056 G CA -0.915 44.202 45.100 0.028 0.000 0.959 1056 G HN 0.599 nan 8.290 nan 0.000 0.522 1057 R N -0.720 119.786 120.500 0.011 0.000 2.159 1057 R HA -0.093 4.247 4.340 -0.000 0.000 0.237 1057 R C 2.506 178.800 176.300 -0.011 0.000 1.131 1057 R CA 1.869 57.973 56.100 0.007 0.000 0.982 1057 R CB -0.399 29.902 30.300 0.002 0.000 0.868 1057 R HN 0.500 nan 8.270 nan 0.000 0.453 1058 A N 0.617 123.419 122.820 -0.030 0.000 1.940 1058 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 1058 A C 1.885 179.430 177.584 -0.065 0.000 1.176 1058 A CA 1.422 53.431 52.037 -0.047 0.000 0.631 1058 A CB -0.279 18.687 19.000 -0.058 0.000 0.814 1058 A HN 0.405 nan 8.150 nan 0.000 0.446 1059 Q N -0.746 118.995 119.800 -0.098 0.000 2.472 1059 Q HA 0.311 4.651 4.340 -0.000 0.000 0.208 1059 Q C 1.703 177.687 176.000 -0.027 0.000 0.958 1059 Q CA 0.865 56.590 55.803 -0.130 0.000 0.932 1059 Q CB -0.237 28.280 28.738 -0.369 0.000 1.007 1059 Q HN 0.649 nan 8.270 nan 0.000 0.508 1060 A N 0.231 123.051 122.820 -0.000 0.000 2.238 1060 A HA 0.034 4.354 4.320 -0.000 0.000 0.210 1060 A C 0.963 178.542 177.584 -0.009 0.000 1.179 1060 A CA 0.149 52.194 52.037 0.013 0.000 0.827 1060 A CB 0.242 19.255 19.000 0.022 0.000 0.856 1060 A HN 0.219 nan 8.150 nan 0.000 0.488 1061 E N -0.136 120.053 120.200 -0.018 0.000 2.437 1061 E HA 0.188 4.538 4.350 -0.000 0.000 0.195 1061 E C -0.217 176.370 176.600 -0.023 0.000 1.029 1061 E CA -0.030 56.358 56.400 -0.020 0.000 0.948 1061 E CB 0.217 29.905 29.700 -0.020 0.000 1.082 1061 E HN 0.408 nan 8.360 nan 0.000 0.456 1062 K N 0.257 120.644 120.400 -0.023 0.000 2.622 1062 K HA 0.211 4.531 4.320 -0.000 0.000 0.273 1062 K C -1.600 174.992 176.600 -0.014 0.000 0.957 1062 K CA -0.409 55.866 56.287 -0.020 0.000 0.861 1062 K CB 1.813 34.300 32.500 -0.023 0.000 1.405 1062 K HN -0.137 nan 8.250 nan 0.000 0.406 1063 S N 3.865 119.561 115.700 -0.008 0.000 2.438 1063 S HA 0.337 4.807 4.470 -0.000 0.000 0.293 1063 S C -2.457 172.166 174.600 0.038 0.000 1.141 1063 S CA -1.132 57.074 58.200 0.010 0.000 1.080 1063 S CB 1.104 64.302 63.200 -0.003 0.000 0.978 1063 S HN 0.403 nan 8.310 nan 0.000 0.479 1064 P HA 0.015 nan 4.420 nan 0.000 0.254 1064 P C 0.157 177.498 177.300 0.068 0.000 1.186 1064 P CA 0.249 63.387 63.100 0.062 0.000 0.868 1064 P CB 0.297 32.052 31.700 0.092 0.000 0.856 1065 E N 2.127 122.352 120.200 0.042 0.000 2.209 1065 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 1065 E C 1.905 178.528 176.600 0.038 0.000 0.993 1065 E CA 0.955 57.379 56.400 0.040 0.000 0.819 1065 E CB 0.008 29.723 29.700 0.025 0.000 0.745 1065 E HN 0.607 nan 8.360 nan 0.000 0.477 1066 Q N 0.812 120.632 119.800 0.032 0.000 2.119 1066 Q HA -0.165 4.175 4.340 -0.000 0.000 0.201 1066 Q C 2.137 178.152 176.000 0.024 0.000 0.972 1066 Q CA 1.001 56.820 55.803 0.026 0.000 0.847 1066 Q CB 0.060 28.811 28.738 0.021 0.000 0.903 1066 Q HN 0.316 nan 8.270 nan 0.000 0.433 1067 L N 0.290 121.531 121.223 0.030 0.000 2.109 1067 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 1067 L C 2.367 179.231 176.870 -0.009 0.000 1.086 1067 L CA 0.708 55.544 54.840 -0.007 0.000 0.760 1067 L CB -0.451 41.597 42.059 -0.019 0.000 0.910 1067 L HN 0.313 nan 8.230 nan 0.000 0.437 1068 L N -0.111 121.143 121.223 0.052 0.000 2.265 1068 L HA -0.092 4.248 4.340 -0.000 0.000 0.215 1068 L C 2.575 179.474 176.870 0.048 0.000 1.117 1068 L CA 0.984 55.867 54.840 0.072 0.000 0.782 1068 L CB -0.980 41.136 42.059 0.094 0.000 0.914 1068 L HN 0.299 nan 8.230 nan 0.000 0.441 1069 G N -0.568 108.253 108.800 0.035 0.000 2.421 1069 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.217 1069 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.217 1069 G C 1.549 176.468 174.900 0.032 0.000 1.143 1069 G CA 0.570 45.689 45.100 0.032 0.000 0.784 1069 G HN 0.163 nan 8.290 nan 0.000 0.541 1070 V N 0.880 120.806 119.914 0.021 0.000 2.300 1070 V HA 0.012 4.132 4.120 -0.000 0.000 0.241 1070 V C 2.806 178.930 176.094 0.050 0.000 1.034 1070 V CA 0.990 63.303 62.300 0.022 0.000 1.021 1070 V CB -0.503 31.314 31.823 -0.010 0.000 0.662 1070 V HN 0.291 nan 8.190 nan 0.000 0.458 1071 L N 0.105 121.341 121.223 0.022 0.000 2.189 1071 L HA -0.256 4.084 4.340 -0.000 0.000 0.214 1071 L C 2.549 179.499 176.870 0.134 0.000 1.097 1071 L CA 1.579 56.461 54.840 0.071 0.000 0.764 1071 L CB -0.460 41.612 42.059 0.022 0.000 0.900 1071 L HN 0.425 nan 8.230 nan 0.000 0.436 1072 Q N 0.495 120.350 119.800 0.092 0.000 2.089 1072 Q HA -0.155 4.185 4.340 -0.000 0.000 0.195 1072 Q C 2.255 178.298 176.000 0.072 0.000 0.963 1072 Q CA 1.294 57.143 55.803 0.077 0.000 0.834 1072 Q CB -0.129 28.643 28.738 0.058 0.000 0.906 1072 Q HN 0.225 nan 8.270 nan 0.000 0.452 1073 R N -1.094 119.451 120.500 0.074 0.000 2.152 1073 R HA -0.193 4.147 4.340 -0.000 0.000 0.232 1073 R C 1.885 178.237 176.300 0.087 0.000 1.117 1073 R CA 1.387 57.524 56.100 0.062 0.000 0.981 1073 R CB -0.295 30.038 30.300 0.054 0.000 0.870 1073 R HN 0.419 nan 8.270 nan 0.000 0.451 1074 Y N 0.861 121.151 120.300 -0.015 0.000 2.176 1074 Y HA -0.142 4.408 4.550 -0.000 0.000 0.291 1074 Y C 2.381 178.265 175.900 -0.028 0.000 1.122 1074 Y CA 1.790 59.876 58.100 -0.024 0.000 1.128 1074 Y CB -0.462 37.984 38.460 -0.022 0.000 1.005 1074 Y HN 0.065 nan 8.280 nan 0.000 0.509 1075 Q N 0.196 119.977 119.800 -0.031 0.000 2.197 1075 Q HA -0.248 4.092 4.340 -0.000 0.000 0.207 1075 Q C 1.509 177.426 176.000 -0.139 0.000 0.984 1075 Q CA 2.124 57.834 55.803 -0.154 0.000 0.869 1075 Q CB -0.204 28.506 28.738 -0.047 0.000 0.906 1075 Q HN 0.577 nan 8.270 nan 0.000 0.426 1076 D N 0.435 120.799 120.400 -0.061 0.000 2.097 1076 D HA -0.166 4.474 4.640 -0.000 0.000 0.197 1076 D C 2.003 178.259 176.300 -0.073 0.000 0.984 1076 D CA 0.997 54.982 54.000 -0.025 0.000 0.826 1076 D CB -0.177 40.615 40.800 -0.012 0.000 0.973 1076 D HN 0.317 nan 8.370 nan 0.000 0.460 1077 L N 0.624 121.772 121.223 -0.125 0.000 2.046 1077 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 1077 L C 2.433 179.193 176.870 -0.183 0.000 1.077 1077 L CA 1.399 56.150 54.840 -0.149 0.000 0.747 1077 L CB -0.203 41.769 42.059 -0.144 0.000 0.896 1077 L HN 0.024 nan 8.230 nan 0.000 0.432 1078 C N -0.413 118.710 119.300 -0.295 0.000 2.413 1078 C HA -0.244 4.216 4.460 -0.000 0.000 0.276 1078 C C 2.621 177.578 174.990 -0.055 0.000 1.236 1078 C CA 1.291 60.157 59.018 -0.254 0.000 1.735 1078 C CB -1.463 26.035 27.740 -0.403 0.000 2.031 1078 C HN 0.726 nan 8.230 nan 0.000 0.474 1079 H N 1.272 120.241 119.070 -0.169 0.000 2.265 1079 H HA -0.189 4.367 4.556 -0.000 0.000 0.293 1079 H C 2.063 177.396 175.328 0.008 0.000 1.089 1079 H CA 2.050 58.044 56.048 -0.089 0.000 1.244 1079 H CB -0.158 29.546 29.762 -0.097 0.000 1.355 1079 H HN 0.474 nan 8.280 nan 0.000 0.485 1080 N N 0.523 119.200 118.700 -0.038 0.000 2.025 1080 N HA -0.160 4.580 4.740 -0.000 0.000 0.194 1080 N C 2.228 177.779 175.510 0.069 0.000 1.044 1080 N CA 1.382 54.386 53.050 -0.077 0.000 0.851 1080 N CB -0.783 37.640 38.487 -0.107 0.000 1.036 1080 N HN 0.210 nan 8.380 nan 0.000 0.422 1081 V N 1.321 121.252 119.914 0.027 0.000 2.231 1081 V HA -0.297 3.823 4.120 -0.000 0.000 0.250 1081 V C 2.152 178.343 176.094 0.161 0.000 1.058 1081 V CA 1.861 64.176 62.300 0.026 0.000 1.022 1081 V CB -0.846 30.859 31.823 -0.197 0.000 0.640 1081 V HN 0.308 nan 8.190 nan 0.000 0.445 1082 Y N -0.153 120.172 120.300 0.043 0.000 2.241 1082 Y HA -0.333 4.217 4.550 -0.000 0.000 0.286 1082 Y C 2.435 178.409 175.900 0.124 0.000 1.166 1082 Y CA 2.069 60.216 58.100 0.078 0.000 1.203 1082 Y CB -0.351 38.141 38.460 0.053 0.000 0.977 1082 Y HN 0.315 nan 8.280 nan 0.000 0.529 1083 C N -0.128 119.342 119.300 0.284 0.000 2.492 1083 C HA -0.098 4.362 4.460 -0.000 0.000 0.279 1083 C C 2.451 177.512 174.990 0.119 0.000 1.335 1083 C CA 0.933 60.073 59.018 0.204 0.000 1.734 1083 C CB -0.884 26.992 27.740 0.227 0.000 2.027 1083 C HN 0.595 nan 8.230 nan 0.000 0.496 1084 Q N 0.989 120.889 119.800 0.168 0.000 2.297 1084 Q HA -0.022 4.318 4.340 -0.000 0.000 0.204 1084 Q C 2.358 178.441 176.000 0.138 0.000 0.962 1084 Q CA 1.416 57.317 55.803 0.163 0.000 0.879 1084 Q CB -0.201 28.742 28.738 0.341 0.000 0.947 1084 Q HN 0.737 nan 8.270 nan 0.000 0.462 1085 A N 1.389 124.330 122.820 0.202 0.000 1.854 1085 A HA -0.149 4.171 4.320 -0.000 0.000 0.214 1085 A C 1.909 179.483 177.584 -0.016 0.000 1.192 1085 A CA 0.889 53.009 52.037 0.140 0.000 0.611 1085 A CB -0.228 18.836 19.000 0.107 0.000 0.832 1085 A HN 0.111 nan 8.150 nan 0.000 0.442 1086 E N 0.014 120.149 120.200 -0.108 0.000 2.273 1086 E HA -0.152 4.198 4.350 -0.000 0.000 0.198 1086 E C 1.958 178.552 176.600 -0.011 0.000 1.002 1086 E CA 1.576 57.913 56.400 -0.105 0.000 0.828 1086 E CB -0.640 28.985 29.700 -0.126 0.000 0.747 1086 E HN 0.619 nan 8.360 nan 0.000 0.491 1087 T N 1.004 115.577 114.554 0.032 0.000 2.732 1087 T HA -0.014 4.336 4.350 -0.000 0.000 0.261 1087 T C 2.097 176.837 174.700 0.067 0.000 1.040 1087 T CA 0.672 62.835 62.100 0.106 0.000 1.145 1087 T CB -0.123 68.777 68.868 0.054 0.000 0.866 1087 T HN 0.132 nan 8.240 nan 0.000 0.427 1088 I N 0.739 121.296 120.570 -0.022 0.000 2.264 1088 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 1088 I C 2.852 178.983 176.117 0.022 0.000 1.111 1088 I CA 1.263 62.547 61.300 -0.028 0.000 1.382 1088 I CB -0.335 37.599 38.000 -0.110 0.000 1.060 1088 I HN 0.136 nan 8.210 nan 0.000 0.418 1089 R N 0.128 120.628 120.500 -0.000 0.000 2.092 1089 R HA -0.104 4.236 4.340 -0.000 0.000 0.231 1089 R C 2.274 178.548 176.300 -0.043 0.000 1.119 1089 R CA 1.779 57.871 56.100 -0.012 0.000 0.970 1089 R CB -0.637 29.644 30.300 -0.031 0.000 0.864 1089 R HN 0.348 nan 8.270 nan 0.000 0.440 1090 T N 0.923 115.428 114.554 -0.080 0.000 2.833 1090 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 1090 T C 1.967 176.574 174.700 -0.154 0.000 1.054 1090 T CA 0.972 62.944 62.100 -0.213 0.000 1.135 1090 T CB -0.069 68.511 68.868 -0.481 0.000 0.869 1090 T HN -0.002 nan 8.240 nan 0.000 0.466 1091 V N 1.034 120.948 119.914 -0.000 0.000 2.427 1091 V HA -0.086 4.034 4.120 -0.000 0.000 0.248 1091 V C 2.228 178.349 176.094 0.044 0.000 1.051 1091 V CA 1.353 63.700 62.300 0.079 0.000 1.048 1091 V CB -0.480 31.426 31.823 0.139 0.000 0.666 1091 V HN 0.498 nan 8.190 nan 0.000 0.456 1092 I N 0.092 120.676 120.570 0.024 0.000 2.364 1092 I HA -0.044 4.126 4.170 -0.000 0.000 0.241 1092 I C 2.732 178.828 176.117 -0.035 0.000 1.082 1092 I CA 1.051 62.354 61.300 0.004 0.000 1.401 1092 I CB -0.770 37.233 38.000 0.006 0.000 1.126 1092 I HN 0.221 nan 8.210 nan 0.000 0.429 1093 A N 1.950 124.740 122.820 -0.050 0.000 1.985 1093 A HA -0.255 4.065 4.320 -0.000 0.000 0.223 1093 A C 2.203 179.756 177.584 -0.053 0.000 1.189 1093 A CA 2.422 54.424 52.037 -0.059 0.000 0.658 1093 A CB -1.280 17.684 19.000 -0.060 0.000 0.820 1093 A HN 0.677 nan 8.150 nan 0.000 0.464 1094 I N -4.810 115.727 120.570 -0.056 0.000 3.564 1094 I HA 0.094 4.263 4.170 -0.000 0.000 0.294 1094 I C 1.362 177.467 176.117 -0.019 0.000 1.289 1094 I CA 0.676 61.951 61.300 -0.042 0.000 1.325 1094 I CB -0.059 37.909 38.000 -0.053 0.000 1.039 1094 I HN 0.090 nan 8.210 nan 0.000 0.474 1095 R N 1.200 121.688 120.500 -0.020 0.000 2.652 1095 R HA 0.483 4.823 4.340 -0.000 0.000 0.372 1095 R C -0.217 176.066 176.300 -0.028 0.000 1.104 1095 R CA -0.271 55.821 56.100 -0.013 0.000 1.072 1095 R CB 0.582 30.881 30.300 -0.001 0.000 1.367 1095 R HN 0.325 nan 8.270 nan 0.000 0.577 1096 I N 3.938 124.488 120.570 -0.034 0.000 2.312 1096 I HA 0.181 4.351 4.170 -0.000 0.000 0.291 1096 I C -1.436 174.679 176.117 -0.002 0.000 1.031 1096 I CA -1.902 59.375 61.300 -0.039 0.000 1.293 1096 I CB 0.927 38.896 38.000 -0.052 0.000 1.403 1096 I HN -0.085 nan 8.210 nan 0.000 0.484 1097 P HA 0.004 nan 4.420 nan 0.000 0.274 1097 P C -0.264 177.060 177.300 0.040 0.000 1.264 1097 P CA -0.439 62.669 63.100 0.014 0.000 0.795 1097 P CB 0.548 32.249 31.700 0.002 0.000 1.064 1098 E N -0.047 120.172 120.200 0.032 0.000 2.529 1098 E HA -0.141 4.209 4.350 -0.000 0.000 0.259 1098 E C -0.130 176.514 176.600 0.073 0.000 0.966 1098 E CA -0.032 56.398 56.400 0.049 0.000 0.937 1098 E CB -0.031 29.683 29.700 0.024 0.000 0.923 1098 E HN 0.374 nan 8.360 nan 0.000 0.468 1099 H N 4.632 123.711 119.070 0.014 0.000 3.138 1099 H HA 0.112 4.668 4.556 -0.000 0.000 0.275 1099 H C -0.714 174.621 175.328 0.011 0.000 0.997 1099 H CA 0.675 56.735 56.048 0.019 0.000 1.460 1099 H CB 0.183 29.956 29.762 0.019 0.000 1.524 1099 H HN 0.348 nan 8.280 nan 0.000 0.532 1100 K N 3.158 123.329 120.400 -0.382 0.000 2.378 1100 K HA 0.239 4.559 4.320 -0.000 0.000 0.244 1100 K C 0.179 176.557 176.600 -0.369 0.000 1.039 1100 K CA -0.962 55.144 56.287 -0.301 0.000 0.863 1100 K CB 1.422 33.840 32.500 -0.137 0.000 1.326 1100 K HN 0.535 nan 8.250 nan 0.000 0.460 1101 E N 1.447 121.522 120.200 -0.208 0.000 2.548 1101 E HA 0.053 4.403 4.350 -0.000 0.000 0.206 1101 E C -0.727 175.820 176.600 -0.090 0.000 1.005 1101 E CA 0.235 56.548 56.400 -0.145 0.000 0.951 1101 E CB 0.724 30.367 29.700 -0.094 0.000 1.035 1101 E HN 0.580 nan 8.360 nan 0.000 0.470 1102 E N -0.622 119.526 120.200 -0.087 0.000 2.433 1102 E HA 0.307 4.657 4.350 -0.000 0.000 0.278 1102 E C -0.711 175.857 176.600 -0.053 0.000 0.976 1102 E CA -0.826 55.539 56.400 -0.057 0.000 0.793 1102 E CB 0.975 30.646 29.700 -0.048 0.000 1.311 1102 E HN -0.252 nan 8.360 nan 0.000 0.460 1103 D N 0.452 120.828 120.400 -0.040 0.000 2.699 1103 D HA -0.147 4.493 4.640 -0.000 0.000 0.239 1103 D C -0.709 175.573 176.300 -0.031 0.000 1.136 1103 D CA 0.574 54.553 54.000 -0.035 0.000 0.668 1103 D CB -1.309 39.468 40.800 -0.038 0.000 1.060 1103 D HN 0.564 nan 8.370 nan 0.000 0.429 1104 N N 0.275 118.960 118.700 -0.024 0.000 2.321 1104 N HA 0.142 4.882 4.740 -0.000 0.000 0.242 1104 N C 1.773 177.283 175.510 0.000 0.000 1.141 1104 N CA -0.286 52.759 53.050 -0.007 0.000 0.864 1104 N CB 0.230 38.717 38.487 -0.001 0.000 1.100 1104 N HN 0.409 nan 8.380 nan 0.000 0.510 1105 L N -0.320 120.895 121.223 -0.013 0.000 2.093 1105 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 1105 L C 2.346 179.206 176.870 -0.017 0.000 1.085 1105 L CA 1.382 56.214 54.840 -0.014 0.000 0.755 1105 L CB -0.361 41.684 42.059 -0.024 0.000 0.904 1105 L HN 0.222 nan 8.230 nan 0.000 0.435 1106 G N -0.675 108.110 108.800 -0.026 0.000 2.396 1106 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.214 1106 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.214 1106 G C 1.579 176.467 174.900 -0.021 0.000 1.166 1106 G CA 0.572 45.649 45.100 -0.038 0.000 0.793 1106 G HN 0.146 nan 8.290 nan 0.000 0.533 1107 V N 1.955 121.869 119.914 -0.000 0.000 2.380 1107 V HA -0.231 3.889 4.120 -0.000 0.000 0.251 1107 V C 3.332 179.478 176.094 0.087 0.000 1.063 1107 V CA 2.081 64.399 62.300 0.030 0.000 1.055 1107 V CB -1.029 30.841 31.823 0.080 0.000 0.657 1107 V HN 0.464 nan 8.190 nan 0.000 0.455 1108 A N -0.153 122.718 122.820 0.085 0.000 1.908 1108 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 1108 A C 2.412 180.042 177.584 0.077 0.000 1.181 1108 A CA 2.200 54.297 52.037 0.100 0.000 0.627 1108 A CB -0.739 18.292 19.000 0.051 0.000 0.818 1108 A HN 0.356 nan 8.150 nan 0.000 0.445 1109 V N 0.142 120.071 119.914 0.026 0.000 2.343 1109 V HA -0.341 3.779 4.120 -0.000 0.000 0.247 1109 V C 2.675 178.770 176.094 0.002 0.000 1.051 1109 V CA 2.282 64.585 62.300 0.004 0.000 1.036 1109 V CB -0.988 30.816 31.823 -0.033 0.000 0.654 1109 V HN 0.646 nan 8.190 nan 0.000 0.451 1110 Q N -0.915 118.867 119.800 -0.031 0.000 2.002 1110 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 1110 Q C 2.341 178.295 176.000 -0.077 0.000 0.988 1110 Q CA 1.849 57.603 55.803 -0.083 0.000 0.843 1110 Q CB -0.395 28.243 28.738 -0.168 0.000 0.908 1110 Q HN 0.689 nan 8.270 nan 0.000 0.420 1111 H N 0.128 119.211 119.070 0.021 0.000 2.387 1111 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 1111 H C 2.095 177.441 175.328 0.029 0.000 1.099 1111 H CA 1.414 57.478 56.048 0.026 0.000 1.315 1111 H CB -0.191 29.586 29.762 0.025 0.000 1.380 1111 H HN 0.343 nan 8.280 nan 0.000 0.513 1112 A N 0.606 123.508 122.820 0.137 0.000 1.851 1112 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 1112 A C 2.894 180.527 177.584 0.081 0.000 1.195 1112 A CA 1.951 54.043 52.037 0.093 0.000 0.622 1112 A CB -0.985 18.054 19.000 0.066 0.000 0.831 1112 A HN 0.218 nan 8.150 nan 0.000 0.444 1113 V N 0.171 120.126 119.914 0.069 0.000 2.343 1113 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 1113 V C 2.570 178.715 176.094 0.085 0.000 1.051 1113 V CA 1.900 64.248 62.300 0.081 0.000 1.036 1113 V CB -0.782 31.089 31.823 0.080 0.000 0.654 1113 V HN 0.561 nan 8.190 nan 0.000 0.451 1114 L N -0.179 121.085 121.223 0.068 0.000 2.081 1114 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 1114 L C 2.602 179.520 176.870 0.080 0.000 1.080 1114 L CA 2.070 56.949 54.840 0.065 0.000 0.754 1114 L CB -0.559 41.529 42.059 0.047 0.000 0.893 1114 L HN 0.366 nan 8.230 nan 0.000 0.433 1115 K N 0.646 121.100 120.400 0.090 0.000 2.057 1115 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 1115 K C 2.157 178.804 176.600 0.079 0.000 1.050 1115 K CA 1.306 57.643 56.287 0.083 0.000 0.935 1115 K CB -0.073 32.476 32.500 0.081 0.000 0.715 1115 K HN 0.255 nan 8.250 nan 0.000 0.439 1116 I N 0.819 121.439 120.570 0.083 0.000 2.361 1116 I HA -0.241 3.929 4.170 -0.000 0.000 0.251 1116 I C 1.872 178.045 176.117 0.092 0.000 1.133 1116 I CA 1.125 62.476 61.300 0.086 0.000 1.413 1116 I CB 0.054 38.110 38.000 0.092 0.000 1.073 1116 I HN 0.261 nan 8.210 nan 0.000 0.424 1117 I N 0.836 121.465 120.570 0.099 0.000 2.252 1117 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 1117 I C 1.942 178.105 176.117 0.077 0.000 1.102 1117 I CA 1.328 62.690 61.300 0.104 0.000 1.385 1117 I CB -0.513 37.546 38.000 0.098 0.000 1.064 1117 I HN 0.260 nan 8.210 nan 0.000 0.414 1118 D N 0.434 120.875 120.400 0.068 0.000 2.178 1118 D HA -0.219 4.421 4.640 -0.000 0.000 0.202 1118 D C 1.951 178.297 176.300 0.075 0.000 0.974 1118 D CA 1.032 55.071 54.000 0.064 0.000 0.841 1118 D CB -0.175 40.663 40.800 0.064 0.000 0.953 1118 D HN 0.432 nan 8.370 nan 0.000 0.478 1119 E N 0.182 120.428 120.200 0.076 0.000 2.150 1119 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 1119 E C 2.099 178.749 176.600 0.083 0.000 0.985 1119 E CA 0.299 56.748 56.400 0.081 0.000 0.814 1119 E CB 0.071 29.818 29.700 0.079 0.000 0.752 1119 E HN 0.101 nan 8.360 nan 0.000 0.466 1120 L N 1.254 122.519 121.223 0.069 0.000 2.044 1120 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 1120 L C 1.868 178.775 176.870 0.061 0.000 1.075 1120 L CA 1.828 56.694 54.840 0.044 0.000 0.747 1120 L CB -0.343 41.734 42.059 0.031 0.000 0.903 1120 L HN 0.030 nan 8.230 nan 0.000 0.435 1121 E N -0.294 119.954 120.200 0.080 0.000 2.160 1121 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 1121 E C 2.273 178.987 176.600 0.191 0.000 0.991 1121 E CA 1.535 58.018 56.400 0.138 0.000 0.810 1121 E CB -0.197 29.544 29.700 0.069 0.000 0.742 1121 E HN 0.595 nan 8.360 nan 0.000 0.466 1122 I N 0.896 121.548 120.570 0.137 0.000 2.315 1122 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 1122 I C 2.211 178.398 176.117 0.116 0.000 1.117 1122 I CA 0.821 62.197 61.300 0.126 0.000 1.404 1122 I CB -0.064 37.996 38.000 0.101 0.000 1.071 1122 I HN 0.025 nan 8.210 nan 0.000 0.419 1123 K N 0.464 120.932 120.400 0.112 0.000 2.002 1123 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 1123 K C 2.160 178.819 176.600 0.098 0.000 1.048 1123 K CA 2.212 58.570 56.287 0.118 0.000 0.930 1123 K CB -1.189 31.395 32.500 0.140 0.000 0.714 1123 K HN 0.442 nan 8.250 nan 0.000 0.438 1124 T N 0.823 115.420 114.554 0.072 0.000 2.684 1124 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 1124 T C 2.046 176.759 174.700 0.021 0.000 1.036 1124 T CA 1.239 63.353 62.100 0.024 0.000 1.148 1124 T CB -0.566 68.320 68.868 0.030 0.000 0.863 1124 T HN 0.046 nan 8.240 nan 0.000 0.436 1125 L N 1.910 123.182 121.223 0.081 0.000 2.187 1125 L HA 0.232 4.572 4.340 -0.000 0.000 0.213 1125 L C 1.419 178.345 176.870 0.093 0.000 1.100 1125 L CA 1.597 56.464 54.840 0.045 0.000 0.765 1125 L CB -1.321 40.796 42.059 0.097 0.000 0.904 1125 L HN 0.929 nan 8.230 nan 0.000 0.437 1126 G N -2.161 106.700 108.800 0.101 0.000 2.741 1126 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.222 1126 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.222 1126 G C 0.610 175.575 174.900 0.108 0.000 1.364 1126 G CA 0.353 45.523 45.100 0.116 0.000 0.866 1126 G HN 0.566 nan 8.290 nan 0.000 0.555 1127 S N -0.431 115.327 115.700 0.096 0.000 2.325 1127 S HA 0.419 4.889 4.470 -0.000 0.000 0.213 1127 S C 2.342 176.982 174.600 0.066 0.000 1.031 1127 S CA 1.774 60.015 58.200 0.068 0.000 0.984 1127 S CB -0.702 62.526 63.200 0.047 0.000 0.939 1127 S HN 2.928 nan 8.310 nan 0.000 0.438 1128 G N 1.113 109.960 108.800 0.078 0.000 2.715 1128 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.221 1128 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.221 1128 G C -0.054 174.854 174.900 0.013 0.000 1.204 1128 G CA 0.133 45.250 45.100 0.028 0.000 1.063 1128 G HN 0.441 nan 8.290 nan 0.000 0.586 1129 E N -0.712 119.481 120.200 -0.012 0.000 2.534 1129 E HA 0.193 4.543 4.350 -0.000 0.000 0.179 1129 E C -0.219 176.375 176.600 -0.009 0.000 0.916 1129 E CA 0.105 56.502 56.400 -0.005 0.000 1.354 1129 E CB 0.976 30.669 29.700 -0.013 0.000 1.321 1129 E HN 0.342 nan 8.360 nan 0.000 0.663 1130 K N 1.658 122.050 120.400 -0.013 0.000 2.426 1130 K HA 0.445 4.765 4.320 -0.000 0.000 0.254 1130 K C -1.156 175.443 176.600 -0.002 0.000 0.936 1130 K CA -0.500 55.780 56.287 -0.010 0.000 0.801 1130 K CB 1.538 34.026 32.500 -0.019 0.000 1.139 1130 K HN 0.006 nan 8.250 nan 0.000 0.424 1131 S N 1.721 117.423 115.700 0.002 0.000 2.542 1131 S HA 0.728 5.198 4.470 -0.000 0.000 0.293 1131 S C 0.038 174.644 174.600 0.010 0.000 1.089 1131 S CA -0.857 57.347 58.200 0.008 0.000 0.961 1131 S CB 1.548 64.753 63.200 0.009 0.000 1.062 1131 S HN 0.719 nan 8.310 nan 0.000 0.483 1132 G N 1.208 110.016 108.800 0.015 0.000 2.378 1132 G HA2 0.361 4.321 3.960 -0.000 0.000 0.255 1132 G HA3 0.361 4.321 3.960 -0.000 0.000 0.255 1132 G C 1.060 175.969 174.900 0.014 0.000 1.270 1132 G CA -0.125 44.985 45.100 0.017 0.000 0.876 1132 G HN 1.468 nan 8.290 nan 0.000 0.521 1133 S N 1.571 117.279 115.700 0.013 0.000 2.462 1133 S HA -0.227 4.243 4.470 -0.000 0.000 0.255 1133 S C 2.189 176.795 174.600 0.010 0.000 1.058 1133 S CA 1.726 59.932 58.200 0.010 0.000 1.019 1133 S CB -0.428 62.778 63.200 0.010 0.000 0.801 1133 S HN 0.988 nan 8.310 nan 0.000 0.491 1134 G N 0.389 109.196 108.800 0.012 0.000 2.813 1134 G HA2 0.459 4.419 3.960 -0.000 0.000 0.209 1134 G HA3 0.459 4.419 3.960 -0.000 0.000 0.209 1134 G C 0.952 175.856 174.900 0.007 0.000 1.150 1134 G CA 0.138 45.244 45.100 0.011 0.000 0.785 1134 G HN 1.340 nan 8.290 nan 0.000 0.535 1135 G N -0.478 108.326 108.800 0.008 0.000 2.496 1135 G HA2 0.240 4.200 3.960 -0.000 0.000 0.243 1135 G HA3 0.240 4.200 3.960 -0.000 0.000 0.243 1135 G C 0.482 175.386 174.900 0.007 0.000 1.176 1135 G CA 0.351 45.454 45.100 0.005 0.000 0.940 1135 G HN 1.382 nan 8.290 nan 0.000 0.573 1136 A N 0.528 123.349 122.820 0.002 0.000 2.795 1136 A HA 0.732 5.052 4.320 -0.000 0.000 0.282 1136 A C -0.518 177.059 177.584 -0.012 0.000 0.964 1136 A CA 0.836 52.874 52.037 0.002 0.000 1.045 1136 A CB 0.548 19.550 19.000 0.004 0.000 1.174 1136 A HN 0.677 nan 8.150 nan 0.000 0.493 1137 P HA -0.061 nan 4.420 nan 0.000 0.234 1137 P C 0.649 177.918 177.300 -0.052 0.000 1.167 1137 P CA 0.998 64.076 63.100 -0.036 0.000 0.763 1137 P CB -0.258 31.422 31.700 -0.035 0.000 0.835 1138 T N 0.857 115.394 114.554 -0.027 0.000 2.779 1138 T HA 0.218 4.568 4.350 -0.000 0.000 0.296 1138 T C -1.602 173.085 174.700 -0.021 0.000 0.938 1138 T CA -1.695 60.394 62.100 -0.018 0.000 1.119 1138 T CB 0.389 69.274 68.868 0.029 0.000 0.891 1138 T HN -0.126 nan 8.240 nan 0.000 0.526 1139 P HA -0.103 nan 4.420 nan 0.000 0.223 1139 P C 0.119 177.385 177.300 -0.056 0.000 0.816 1139 P CA 1.024 64.091 63.100 -0.054 0.000 1.074 1139 P CB 0.169 31.846 31.700 -0.038 0.000 0.700 1140 I N -2.643 117.916 120.570 -0.018 0.000 2.619 1140 I HA 0.521 4.691 4.170 -0.000 0.000 0.292 1140 I C 0.553 176.749 176.117 0.131 0.000 1.100 1140 I CA -1.053 60.247 61.300 -0.000 0.000 1.043 1140 I CB 1.869 39.806 38.000 -0.104 0.000 1.239 1140 I HN 0.103 nan 8.210 nan 0.000 0.420 1141 G N 5.311 114.200 108.800 0.147 0.000 2.527 1141 G HA2 0.080 4.040 3.960 -0.000 0.000 0.279 1141 G HA3 0.080 4.040 3.960 -0.000 0.000 0.279 1141 G C 0.491 175.502 174.900 0.186 0.000 1.374 1141 G CA -0.119 45.091 45.100 0.183 0.000 1.053 1141 G HN 0.805 nan 8.290 nan 0.000 0.539 1142 M N -1.794 117.812 119.600 0.009 0.000 2.453 1142 M HA 0.431 4.911 4.480 -0.000 0.000 0.239 1142 M C -0.143 175.955 176.300 -0.337 0.000 1.151 1142 M CA 0.332 55.508 55.300 -0.206 0.000 0.989 1142 M CB 0.356 32.709 32.600 -0.412 0.000 1.548 1142 M HN 0.337 nan 8.290 nan 0.000 0.479 1143 Y N 0.365 120.719 120.300 0.090 0.000 2.751 1143 Y HA 0.602 5.152 4.550 -0.000 0.000 0.289 1143 Y C 1.889 177.883 175.900 0.157 0.000 1.110 1143 Y CA -0.317 57.837 58.100 0.090 0.000 1.251 1143 Y CB -0.089 38.404 38.460 0.055 0.000 1.178 1143 Y HN 0.424 nan 8.280 nan 0.000 0.540 1144 A N 0.048 123.035 122.820 0.277 0.000 1.883 1144 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 1144 A C 2.082 179.876 177.584 0.350 0.000 1.186 1144 A CA 1.611 53.850 52.037 0.336 0.000 0.624 1144 A CB -0.603 18.567 19.000 0.283 0.000 0.822 1144 A HN 0.476 nan 8.150 nan 0.000 0.444 1145 L N -0.366 121.011 121.223 0.255 0.000 1.997 1145 L HA -0.222 4.118 4.340 -0.000 0.000 0.216 1145 L C 2.570 179.572 176.870 0.221 0.000 1.074 1145 L CA 2.566 57.544 54.840 0.229 0.000 0.763 1145 L CB -0.756 41.400 42.059 0.160 0.000 0.890 1145 L HN 0.511 nan 8.230 nan 0.000 0.434 1146 R N 0.060 120.687 120.500 0.212 0.000 2.080 1146 R HA -0.179 4.161 4.340 -0.000 0.000 0.236 1146 R C 2.163 178.553 176.300 0.149 0.000 1.137 1146 R CA 2.025 58.224 56.100 0.165 0.000 0.943 1146 R CB -0.513 29.899 30.300 0.186 0.000 0.846 1146 R HN 0.527 nan 8.270 nan 0.000 0.431 1147 E N -1.198 119.140 120.200 0.230 0.000 2.110 1147 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 1147 E C 1.718 178.425 176.600 0.178 0.000 0.988 1147 E CA 1.298 57.850 56.400 0.252 0.000 0.804 1147 E CB -0.339 29.591 29.700 0.384 0.000 0.745 1147 E HN 0.377 nan 8.360 nan 0.000 0.458 1148 Y N 1.603 121.864 120.300 -0.065 0.000 2.089 1148 Y HA -0.194 4.356 4.550 -0.000 0.000 0.282 1148 Y C 1.918 177.603 175.900 -0.359 0.000 1.139 1148 Y CA 1.421 59.144 58.100 -0.629 0.000 1.123 1148 Y CB -0.444 37.709 38.460 -0.512 0.000 0.980 1148 Y HN -0.073 nan 8.280 nan 0.000 0.493 1149 L N -0.734 120.296 121.223 -0.322 0.000 2.127 1149 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 1149 L C 2.767 179.488 176.870 -0.248 0.000 1.089 1149 L CA 1.682 56.308 54.840 -0.357 0.000 0.757 1149 L CB -0.837 41.138 42.059 -0.140 0.000 0.899 1149 L HN 0.257 nan 8.230 nan 0.000 0.434 1150 S N -0.456 115.161 115.700 -0.139 0.000 2.406 1150 S HA -0.082 4.388 4.470 -0.000 0.000 0.228 1150 S C 2.060 176.601 174.600 -0.098 0.000 1.020 1150 S CA 1.045 59.195 58.200 -0.083 0.000 0.965 1150 S CB 0.056 63.246 63.200 -0.016 0.000 0.798 1150 S HN 0.433 nan 8.310 nan 0.000 0.488 1151 A N 1.523 124.260 122.820 -0.139 0.000 1.872 1151 A HA 0.090 4.410 4.320 -0.000 0.000 0.214 1151 A C 2.206 179.690 177.584 -0.165 0.000 1.187 1151 A CA 1.205 53.177 52.037 -0.109 0.000 0.614 1151 A CB -0.662 18.294 19.000 -0.073 0.000 0.826 1151 A HN 0.549 nan 8.150 nan 0.000 0.442 1152 R N -0.412 119.898 120.500 -0.316 0.000 2.075 1152 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 1152 R C 2.545 178.730 176.300 -0.190 0.000 1.126 1152 R CA 1.556 57.481 56.100 -0.293 0.000 0.963 1152 R CB -0.305 29.687 30.300 -0.514 0.000 0.858 1152 R HN 0.529 nan 8.270 nan 0.000 0.435 1153 S N -0.549 115.037 115.700 -0.190 0.000 2.365 1153 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 1153 S C 1.711 176.263 174.600 -0.080 0.000 1.039 1153 S CA 2.123 60.251 58.200 -0.121 0.000 1.033 1153 S CB -0.357 62.779 63.200 -0.107 0.000 0.887 1153 S HN 0.475 nan 8.310 nan 0.000 0.447 1154 T N 1.258 115.769 114.554 -0.071 0.000 2.833 1154 T HA -0.030 4.320 4.350 -0.000 0.000 0.269 1154 T C 1.720 176.397 174.700 -0.039 0.000 1.054 1154 T CA 1.459 63.532 62.100 -0.045 0.000 1.135 1154 T CB -0.264 68.584 68.868 -0.033 0.000 0.869 1154 T HN 0.318 nan 8.240 nan 0.000 0.466 1155 V N 1.062 120.948 119.914 -0.048 0.000 2.788 1155 V HA 0.013 4.133 4.120 -0.000 0.000 0.251 1155 V C 2.188 178.264 176.094 -0.030 0.000 1.068 1155 V CA 1.041 63.320 62.300 -0.035 0.000 1.090 1155 V CB -0.406 31.395 31.823 -0.037 0.000 0.710 1155 V HN 0.507 nan 8.190 nan 0.000 0.467 1156 E N -0.124 120.051 120.200 -0.042 0.000 2.347 1156 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 1156 E C 1.501 178.086 176.600 -0.026 0.000 1.008 1156 E CA 0.703 57.083 56.400 -0.033 0.000 0.852 1156 E CB 0.034 29.706 29.700 -0.047 0.000 0.783 1156 E HN 0.571 nan 8.360 nan 0.000 0.505 1157 D N 0.497 120.880 120.400 -0.027 0.000 2.216 1157 D HA -0.021 4.619 4.640 -0.000 0.000 0.208 1157 D C 1.562 177.853 176.300 -0.015 0.000 0.960 1157 D CA 0.702 54.689 54.000 -0.021 0.000 0.861 1157 D CB 0.290 41.077 40.800 -0.022 0.000 0.985 1157 D HN 0.089 nan 8.370 nan 0.000 0.493 1158 K N 0.429 120.820 120.400 -0.014 0.000 2.103 1158 K HA 0.045 4.365 4.320 -0.000 0.000 0.204 1158 K C 2.306 178.903 176.600 -0.007 0.000 1.052 1158 K CA 0.395 56.676 56.287 -0.010 0.000 0.945 1158 K CB 0.160 32.654 32.500 -0.010 0.000 0.722 1158 K HN 0.086 nan 8.250 nan 0.000 0.443 1159 L N 0.930 122.150 121.223 -0.006 0.000 2.056 1159 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 1159 L C 2.240 179.109 176.870 -0.002 0.000 1.078 1159 L CA 1.106 55.946 54.840 -0.000 0.000 0.749 1159 L CB -0.293 41.770 42.059 0.005 0.000 0.901 1159 L HN 0.176 nan 8.230 nan 0.000 0.433 1160 L N -1.186 120.034 121.223 -0.005 0.000 2.270 1160 L HA 0.106 4.446 4.340 -0.000 0.000 0.210 1160 L C 1.675 178.541 176.870 -0.007 0.000 1.104 1160 L CA 0.488 55.325 54.840 -0.006 0.000 0.804 1160 L CB -0.972 41.081 42.059 -0.010 0.000 0.937 1160 L HN 0.440 nan 8.230 nan 0.000 0.450 1161 G N 0.542 109.338 108.800 -0.008 0.000 2.614 1161 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.303 1161 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.303 1161 G C 0.370 175.265 174.900 -0.009 0.000 1.270 1161 G CA 0.227 45.322 45.100 -0.008 0.000 0.988 1161 G HN 0.062 nan 8.290 nan 0.000 0.551 1162 V N 0.477 120.387 119.914 -0.007 0.000 4.198 1162 V HA 0.309 4.429 4.120 -0.000 0.000 0.293 1162 V C 0.477 176.567 176.094 -0.007 0.000 0.997 1162 V CA 1.694 63.989 62.300 -0.007 0.000 1.053 1162 V CB 0.021 31.840 31.823 -0.005 0.000 1.179 1162 V HN 0.879 nan 8.190 nan 0.000 0.459 1163 D N -0.537 119.859 120.400 -0.007 0.000 2.300 1163 D HA 0.519 5.159 4.640 -0.000 0.000 0.218 1163 D C -0.708 175.589 176.300 -0.006 0.000 1.326 1163 D CA -0.024 53.972 54.000 -0.006 0.000 0.942 1163 D CB 1.055 41.851 40.800 -0.007 0.000 1.495 1163 D HN 0.857 nan 8.370 nan 0.000 0.545 1164 A N 2.041 124.858 122.820 -0.005 0.000 2.305 1164 A HA 0.728 5.048 4.320 -0.000 0.000 0.322 1164 A C 0.073 177.654 177.584 -0.005 0.000 1.187 1164 A CA -0.426 51.608 52.037 -0.005 0.000 0.825 1164 A CB 1.532 20.529 19.000 -0.004 0.000 1.164 1164 A HN 0.329 nan 8.150 nan 0.000 0.498 1165 E N 0.074 120.271 120.200 -0.005 0.000 2.320 1165 E HA 0.706 5.056 4.350 -0.000 0.000 0.264 1165 E C -1.220 175.378 176.600 -0.004 0.000 0.923 1165 E CA -0.700 55.698 56.400 -0.004 0.000 0.796 1165 E CB 2.132 31.829 29.700 -0.005 0.000 1.262 1165 E HN 0.581 nan 8.360 nan 0.000 0.428 1166 S N -0.280 115.417 115.700 -0.004 0.000 2.581 1166 S HA 0.294 4.764 4.470 -0.000 0.000 0.306 1166 S C -0.764 173.833 174.600 -0.003 0.000 1.080 1166 S CA -0.446 57.752 58.200 -0.003 0.000 0.925 1166 S CB 0.901 64.099 63.200 -0.003 0.000 1.128 1166 S HN 0.635 nan 8.310 nan 0.000 0.451 1167 G N 3.174 111.972 108.800 -0.004 0.000 3.102 1167 G HA2 0.348 4.308 3.960 -0.000 0.000 0.264 1167 G HA3 0.348 4.308 3.960 -0.000 0.000 0.264 1167 G C 0.351 175.249 174.900 -0.003 0.000 0.788 1167 G CA -0.193 44.905 45.100 -0.003 0.000 2.029 1167 G HN 0.678 nan 8.290 nan 0.000 0.608 1168 K N -0.156 120.242 120.400 -0.003 0.000 2.618 1168 K HA 0.130 4.450 4.320 -0.000 0.000 0.205 1168 K C -0.381 176.217 176.600 -0.002 0.000 1.445 1168 K CA -0.055 56.231 56.287 -0.002 0.000 1.034 1168 K CB 1.313 33.812 32.500 -0.002 0.000 1.209 1168 K HN 0.323 nan 8.250 nan 0.000 0.627 1169 T N -0.474 114.079 114.554 -0.002 0.000 2.927 1169 T HA 0.222 4.572 4.350 -0.000 0.000 0.350 1169 T C -0.438 174.260 174.700 -0.003 0.000 1.746 1169 T CA -0.716 61.383 62.100 -0.002 0.000 1.081 1169 T CB 2.248 71.114 68.868 -0.002 0.000 1.551 1169 T HN -0.136 nan 8.240 nan 0.000 0.489 1170 K N 0.368 120.767 120.400 -0.003 0.000 2.378 1170 K HA 0.645 4.965 4.320 -0.000 0.000 0.222 1170 K C 1.132 177.730 176.600 -0.003 0.000 1.178 1170 K CA 0.234 56.519 56.287 -0.003 0.000 0.827 1170 K CB 0.458 32.957 32.500 -0.003 0.000 1.412 1170 K HN 0.890 nan 8.250 nan 0.000 0.443 1171 G N 0.170 108.968 108.800 -0.003 0.000 2.253 1171 G HA2 0.264 4.224 3.960 -0.000 0.000 0.190 1171 G HA3 0.264 4.224 3.960 -0.000 0.000 0.190 1171 G C -0.610 174.288 174.900 -0.003 0.000 1.274 1171 G CA -0.506 44.592 45.100 -0.003 0.000 1.275 1171 G HN 0.684 nan 8.290 nan 0.000 0.518 1172 G N -2.265 106.533 108.800 -0.004 0.000 2.313 1172 G HA2 0.760 4.720 3.960 -0.000 0.000 0.296 1172 G HA3 0.760 4.720 3.960 -0.000 0.000 0.296 1172 G C 0.591 175.489 174.900 -0.004 0.000 1.356 1172 G CA 1.450 46.548 45.100 -0.004 0.000 0.833 1172 G HN 2.874 nan 8.290 nan 0.000 0.552 1173 G N -0.686 108.112 108.800 -0.002 0.000 2.501 1173 G HA2 0.379 4.339 3.960 -0.000 0.000 0.213 1173 G HA3 0.379 4.339 3.960 -0.000 0.000 0.213 1173 G C 0.701 175.600 174.900 -0.000 0.000 1.158 1173 G CA 1.353 46.452 45.100 -0.001 0.000 1.079 1173 G HN 2.443 nan 8.290 nan 0.000 0.586 1174 S N -0.546 115.154 115.700 -0.001 0.000 3.978 1174 S HA -0.186 4.284 4.470 -0.000 0.000 0.402 1174 S C 1.261 175.863 174.600 0.002 0.000 0.927 1174 S CA 1.741 59.941 58.200 0.000 0.000 1.197 1174 S CB -1.357 61.843 63.200 -0.001 0.000 0.855 1174 S HN 0.938 nan 8.310 nan 0.000 0.524 1175 Q N 0.515 120.316 119.800 0.002 0.000 2.369 1175 Q HA 0.033 4.373 4.340 -0.000 0.000 0.206 1175 Q C 1.027 177.028 176.000 0.003 0.000 0.963 1175 Q CA 0.769 56.574 55.803 0.003 0.000 0.894 1175 Q CB 0.083 28.823 28.738 0.002 0.000 0.965 1175 Q HN 0.686 nan 8.270 nan 0.000 0.475 1176 S N 2.559 118.260 115.700 0.002 0.000 2.887 1176 S HA -0.018 4.452 4.470 -0.000 0.000 0.337 1176 S C -1.357 173.244 174.600 0.002 0.000 1.209 1176 S CA -1.052 57.149 58.200 0.001 0.000 1.186 1176 S CB 0.561 63.760 63.200 -0.001 0.000 0.925 1176 S HN 0.148 nan 8.310 nan 0.000 0.522 1177 P HA -0.062 nan 4.420 nan 0.000 0.219 1177 P C 1.205 178.504 177.300 -0.000 0.000 1.146 1177 P CA 0.908 64.010 63.100 0.004 0.000 0.808 1177 P CB 0.013 31.715 31.700 0.004 0.000 0.779 1178 S N -0.131 115.567 115.700 -0.003 0.000 2.406 1178 S HA -0.061 4.409 4.470 -0.000 0.000 0.228 1178 S C 1.815 176.408 174.600 -0.012 0.000 1.020 1178 S CA 0.470 58.665 58.200 -0.008 0.000 0.965 1178 S CB -0.973 62.223 63.200 -0.007 0.000 0.798 1178 S HN 0.079 nan 8.310 nan 0.000 0.488 1179 L N 1.445 122.663 121.223 -0.007 0.000 2.191 1179 L HA 0.048 4.388 4.340 -0.000 0.000 0.212 1179 L C 1.870 178.735 176.870 -0.009 0.000 1.103 1179 L CA 1.191 56.026 54.840 -0.008 0.000 0.769 1179 L CB -0.431 41.625 42.059 -0.004 0.000 0.908 1179 L HN 0.268 nan 8.230 nan 0.000 0.438 1180 L N -1.275 119.946 121.223 -0.003 0.000 2.131 1180 L HA -0.069 4.271 4.340 -0.000 0.000 0.206 1180 L C 2.129 178.982 176.870 -0.028 0.000 1.087 1180 L CA 1.587 56.432 54.840 0.009 0.000 0.767 1180 L CB -0.425 41.651 42.059 0.029 0.000 0.917 1180 L HN 0.230 nan 8.230 nan 0.000 0.441 1181 L N -0.564 120.633 121.223 -0.043 0.000 2.201 1181 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 1181 L C 2.466 179.265 176.870 -0.120 0.000 1.105 1181 L CA 1.220 56.007 54.840 -0.088 0.000 0.775 1181 L CB -0.441 41.586 42.059 -0.054 0.000 0.913 1181 L HN 0.431 nan 8.230 nan 0.000 0.440 1182 E N 0.469 120.625 120.200 -0.074 0.000 2.152 1182 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 1182 E C 2.162 178.713 176.600 -0.082 0.000 0.983 1182 E CA 0.657 57.021 56.400 -0.060 0.000 0.818 1182 E CB 0.105 29.789 29.700 -0.027 0.000 0.758 1182 E HN 0.314 nan 8.360 nan 0.000 0.467 1183 L N 1.119 122.285 121.223 -0.095 0.000 2.201 1183 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 1183 L C 2.342 179.063 176.870 -0.248 0.000 1.105 1183 L CA 1.572 56.360 54.840 -0.088 0.000 0.775 1183 L CB -0.268 41.792 42.059 0.002 0.000 0.913 1183 L HN -0.016 nan 8.230 nan 0.000 0.440 1184 R N -1.347 118.851 120.500 -0.504 0.000 2.090 1184 R HA -0.153 4.187 4.340 -0.000 0.000 0.228 1184 R C 2.256 178.312 176.300 -0.407 0.000 1.110 1184 R CA 1.171 56.714 56.100 -0.929 0.000 0.973 1184 R CB -0.108 29.629 30.300 -0.938 0.000 0.869 1184 R HN 0.357 nan 8.270 nan 0.000 0.440 1185 Q N 0.719 120.390 119.800 -0.215 0.000 2.123 1185 Q HA 0.031 4.371 4.340 -0.000 0.000 0.199 1185 Q C 1.852 177.860 176.000 0.014 0.000 0.966 1185 Q CA 1.369 57.120 55.803 -0.086 0.000 0.845 1185 Q CB -0.018 28.693 28.738 -0.045 0.000 0.907 1185 Q HN 0.422 nan 8.270 nan 0.000 0.439 1186 I N 0.732 121.324 120.570 0.036 0.000 2.423 1186 I HA -0.266 3.904 4.170 -0.000 0.000 0.254 1186 I C 1.085 177.345 176.117 0.239 0.000 1.151 1186 I CA 1.167 62.563 61.300 0.160 0.000 1.421 1186 I CB -0.213 37.830 38.000 0.071 0.000 1.079 1186 I HN 0.205 nan 8.210 nan 0.000 0.431 1187 D N 0.794 121.277 120.400 0.137 0.000 2.213 1187 D HA -0.013 4.627 4.640 -0.000 0.000 0.205 1187 D C 2.245 178.593 176.300 0.081 0.000 0.961 1187 D CA 1.204 55.300 54.000 0.159 0.000 0.853 1187 D CB 0.098 40.996 40.800 0.163 0.000 0.967 1187 D HN 0.303 nan 8.370 nan 0.000 0.496 1188 A N 1.234 124.062 122.820 0.013 0.000 1.872 1188 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 1188 A C 1.844 179.510 177.584 0.135 0.000 1.187 1188 A CA 1.292 53.292 52.037 -0.061 0.000 0.614 1188 A CB -0.235 18.642 19.000 -0.206 0.000 0.826 1188 A HN -0.029 nan 8.150 nan 0.000 0.442 1189 D N -0.405 120.086 120.400 0.151 0.000 2.078 1189 D HA -0.123 4.517 4.640 -0.000 0.000 0.193 1189 D C 1.444 177.809 176.300 0.108 0.000 0.990 1189 D CA 1.180 55.266 54.000 0.143 0.000 0.827 1189 D CB -0.601 40.278 40.800 0.132 0.000 0.975 1189 D HN 0.386 nan 8.370 nan 0.000 0.451 1190 F N 0.225 120.163 119.950 -0.018 0.000 2.481 1190 F HA -0.116 4.411 4.527 0.000 0.000 0.297 1190 F C 2.220 177.928 175.800 -0.152 0.000 1.095 1190 F CA 0.641 58.577 58.000 -0.106 0.000 1.465 1190 F CB -0.075 38.800 39.000 -0.208 0.000 1.098 1190 F HN -0.028 nan 8.300 nan 0.000 0.585 1191 M N -1.794 117.851 119.600 0.075 0.000 2.534 1191 M HA 0.060 4.540 4.480 -0.000 0.000 0.263 1191 M C 2.064 178.368 176.300 0.005 0.000 1.152 1191 M CA 0.697 56.018 55.300 0.035 0.000 1.145 1191 M CB -0.784 31.880 32.600 0.107 0.000 1.333 1191 M HN 0.222 nan 8.290 nan 0.000 0.477 1192 L N 0.850 122.095 121.223 0.035 0.000 2.131 1192 L HA -0.042 4.298 4.340 -0.000 0.000 0.206 1192 L C 1.975 178.761 176.870 -0.140 0.000 1.087 1192 L CA 1.840 56.621 54.840 -0.099 0.000 0.767 1192 L CB -0.509 41.502 42.059 -0.081 0.000 0.917 1192 L HN 0.128 nan 8.230 nan 0.000 0.441 1193 K N -1.080 119.223 120.400 -0.163 0.000 2.280 1193 K HA -0.072 4.248 4.320 -0.000 0.000 0.202 1193 K C 1.767 178.208 176.600 -0.265 0.000 1.047 1193 K CA 1.239 57.390 56.287 -0.227 0.000 0.942 1193 K CB -0.085 32.211 32.500 -0.340 0.000 0.739 1193 K HN 0.282 nan 8.250 nan 0.000 0.457 1194 V N 0.943 120.687 119.914 -0.283 0.000 2.878 1194 V HA -0.101 4.019 4.120 -0.000 0.000 0.250 1194 V C 1.966 177.912 176.094 -0.246 0.000 1.075 1194 V CA 1.181 63.238 62.300 -0.405 0.000 1.096 1194 V CB -0.179 31.410 31.823 -0.390 0.000 0.724 1194 V HN 0.260 nan 8.190 nan 0.000 0.467 1195 E N 0.546 120.647 120.200 -0.166 0.000 2.015 1195 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 1195 E C 2.256 178.803 176.600 -0.089 0.000 0.991 1195 E CA 1.377 57.708 56.400 -0.115 0.000 0.802 1195 E CB -0.149 29.476 29.700 -0.124 0.000 0.759 1195 E HN 0.482 nan 8.360 nan 0.000 0.447 1196 L N 0.622 121.787 121.223 -0.097 0.000 1.989 1196 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 1196 L C 2.724 179.586 176.870 -0.014 0.000 1.071 1196 L CA 1.201 56.006 54.840 -0.058 0.000 0.749 1196 L CB -0.772 41.240 42.059 -0.078 0.000 0.890 1196 L HN 0.133 nan 8.230 nan 0.000 0.431 1197 A N 0.482 123.276 122.820 -0.044 0.000 1.958 1197 A HA -0.270 4.050 4.320 -0.000 0.000 0.221 1197 A C 2.416 180.065 177.584 0.107 0.000 1.178 1197 A CA 2.719 54.778 52.037 0.037 0.000 0.642 1197 A CB -1.074 17.911 19.000 -0.025 0.000 0.816 1197 A HN 0.613 nan 8.150 nan 0.000 0.453 1198 T N -4.332 110.253 114.554 0.052 0.000 2.978 1198 T HA -0.044 4.306 4.350 -0.000 0.000 0.262 1198 T C 1.770 176.488 174.700 0.030 0.000 1.063 1198 T CA 1.657 63.800 62.100 0.072 0.000 1.140 1198 T CB -0.688 68.212 68.868 0.052 0.000 0.886 1198 T HN 0.314 nan 8.240 nan 0.000 0.470 1199 T N 1.116 115.686 114.554 0.026 0.000 2.737 1199 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 1199 T C 1.757 176.483 174.700 0.045 0.000 1.038 1199 T CA 1.791 63.904 62.100 0.022 0.000 1.144 1199 T CB -0.547 68.332 68.868 0.017 0.000 0.866 1199 T HN 0.680 nan 8.240 nan 0.000 0.434 1200 H N 0.734 119.795 119.070 -0.015 0.000 2.389 1200 H HA 0.094 4.650 4.556 -0.000 0.000 0.299 1200 H C 1.955 177.276 175.328 -0.012 0.000 1.081 1200 H CA 0.910 56.952 56.048 -0.010 0.000 1.345 1200 H CB -0.548 29.210 29.762 -0.007 0.000 1.393 1200 H HN 0.145 nan 8.280 nan 0.000 0.520 1201 L N 0.057 121.222 121.223 -0.097 0.000 2.265 1201 L HA -0.099 4.241 4.340 -0.000 0.000 0.215 1201 L C 2.084 178.844 176.870 -0.183 0.000 1.117 1201 L CA 1.393 56.135 54.840 -0.164 0.000 0.782 1201 L CB -0.636 41.395 42.059 -0.047 0.000 0.914 1201 L HN 0.245 nan 8.230 nan 0.000 0.441 1202 S N -1.411 114.214 115.700 -0.125 0.000 2.335 1202 S HA -0.148 4.322 4.470 -0.000 0.000 0.217 1202 S C 1.784 176.317 174.600 -0.112 0.000 1.032 1202 S CA 1.599 59.738 58.200 -0.102 0.000 0.985 1202 S CB -0.510 62.657 63.200 -0.054 0.000 0.896 1202 S HN 0.529 nan 8.310 nan 0.000 0.445 1203 T N 2.605 117.089 114.554 -0.117 0.000 2.635 1203 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 1203 T C 1.873 176.493 174.700 -0.132 0.000 1.040 1203 T CA 1.864 63.903 62.100 -0.101 0.000 1.156 1203 T CB -0.437 68.381 68.868 -0.083 0.000 0.863 1203 T HN 0.189 nan 8.240 nan 0.000 0.430 1204 M N 1.078 120.523 119.600 -0.260 0.000 2.073 1204 M HA -0.104 4.376 4.480 -0.000 0.000 0.258 1204 M C 2.196 178.430 176.300 -0.109 0.000 1.070 1204 M CA 1.484 56.658 55.300 -0.209 0.000 1.103 1204 M CB -0.825 31.590 32.600 -0.309 0.000 1.321 1204 M HN 0.102 nan 8.290 nan 0.000 0.405 1205 V N 0.291 120.112 119.914 -0.155 0.000 2.295 1205 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 1205 V C 2.408 178.519 176.094 0.029 0.000 1.049 1205 V CA 2.119 64.342 62.300 -0.128 0.000 1.024 1205 V CB -0.825 30.835 31.823 -0.272 0.000 0.648 1205 V HN 0.470 nan 8.190 nan 0.000 0.447 1206 R N 0.036 120.539 120.500 0.004 0.000 2.120 1206 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 1206 R C 2.399 178.743 176.300 0.073 0.000 1.123 1206 R CA 1.433 57.562 56.100 0.047 0.000 0.975 1206 R CB -0.575 29.738 30.300 0.021 0.000 0.866 1206 R HN 0.562 nan 8.270 nan 0.000 0.446 1207 A N 0.843 123.695 122.820 0.053 0.000 1.855 1207 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 1207 A C 2.364 180.017 177.584 0.116 0.000 1.191 1207 A CA 1.343 53.422 52.037 0.070 0.000 0.613 1207 A CB -0.569 18.458 19.000 0.045 0.000 0.829 1207 A HN 0.105 nan 8.150 nan 0.000 0.442 1208 V N 0.527 120.527 119.914 0.144 0.000 2.469 1208 V HA -0.283 3.837 4.120 -0.000 0.000 0.251 1208 V C 2.372 178.614 176.094 0.247 0.000 1.064 1208 V CA 1.922 64.349 62.300 0.213 0.000 1.066 1208 V CB -0.859 31.142 31.823 0.296 0.000 0.667 1208 V HN 0.548 nan 8.190 nan 0.000 0.461 1209 I N 0.728 121.440 120.570 0.236 0.000 2.142 1209 I HA -0.246 3.924 4.170 -0.000 0.000 0.240 1209 I C 2.493 178.741 176.117 0.218 0.000 1.078 1209 I CA 2.183 63.613 61.300 0.217 0.000 1.343 1209 I CB -0.585 37.528 38.000 0.188 0.000 1.046 1209 I HN 0.422 nan 8.210 nan 0.000 0.405 1210 N N 1.497 120.299 118.700 0.170 0.000 2.043 1210 N HA -0.194 4.546 4.740 -0.000 0.000 0.193 1210 N C 1.854 177.460 175.510 0.159 0.000 1.037 1210 N CA 1.981 55.119 53.050 0.147 0.000 0.851 1210 N CB -0.197 38.353 38.487 0.106 0.000 1.027 1210 N HN 0.301 nan 8.380 nan 0.000 0.422 1211 A N -0.954 121.960 122.820 0.156 0.000 1.940 1211 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 1211 A C 2.223 179.911 177.584 0.172 0.000 1.176 1211 A CA 1.559 53.681 52.037 0.142 0.000 0.631 1211 A CB -1.201 17.880 19.000 0.136 0.000 0.814 1211 A HN 0.657 nan 8.150 nan 0.000 0.446 1212 Y N 0.168 120.536 120.300 0.114 0.000 2.176 1212 Y HA -0.015 4.535 4.550 -0.000 0.000 0.291 1212 Y C 1.924 177.943 175.900 0.198 0.000 1.122 1212 Y CA 1.610 59.789 58.100 0.132 0.000 1.128 1212 Y CB -0.269 38.247 38.460 0.094 0.000 1.005 1212 Y HN 0.166 nan 8.280 nan 0.000 0.509 1213 L N 0.081 121.526 121.223 0.371 0.000 2.263 1213 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 1213 L C 2.062 179.111 176.870 0.298 0.000 1.111 1213 L CA 1.044 56.065 54.840 0.302 0.000 0.773 1213 L CB -0.494 41.718 42.059 0.255 0.000 0.906 1213 L HN 0.395 nan 8.230 nan 0.000 0.439 1214 L N -0.999 120.326 121.223 0.170 0.000 2.145 1214 L HA -0.016 4.324 4.340 -0.000 0.000 0.201 1214 L C 1.756 178.610 176.870 -0.027 0.000 1.075 1214 L CA 0.719 55.614 54.840 0.091 0.000 0.773 1214 L CB -0.302 41.791 42.059 0.056 0.000 0.936 1214 L HN 0.296 nan 8.230 nan 0.000 0.451 1215 N N 0.052 118.715 118.700 -0.062 0.000 2.336 1215 N HA -0.085 4.655 4.740 -0.000 0.000 0.189 1215 N C 1.644 176.995 175.510 -0.265 0.000 1.113 1215 N CA 0.302 53.257 53.050 -0.157 0.000 0.858 1215 N CB 0.113 38.547 38.487 -0.088 0.000 0.970 1215 N HN 0.551 nan 8.380 nan 0.000 0.471 1216 W N 2.519 123.583 121.300 -0.395 0.000 2.308 1216 W HA -0.159 4.501 4.660 0.000 0.000 0.301 1216 W C 1.066 177.421 176.519 -0.273 0.000 1.220 1216 W CA 0.553 57.587 57.345 -0.519 0.000 1.240 1216 W CB -0.806 28.200 29.460 -0.756 0.000 1.142 1216 W HN -0.031 nan 8.180 nan 0.000 0.521 1217 K N 0.674 120.308 120.400 -1.277 0.000 2.032 1217 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 1217 K C 2.146 178.462 176.600 -0.474 0.000 1.048 1217 K CA 1.802 57.435 56.287 -1.091 0.000 0.927 1217 K CB -0.290 31.568 32.500 -1.070 0.000 0.712 1217 K HN -0.077 nan 8.250 nan 0.000 0.441 1218 K N 1.044 121.225 120.400 -0.364 0.000 2.211 1218 K HA -0.043 4.277 4.320 -0.000 0.000 0.203 1218 K C 2.081 178.594 176.600 -0.145 0.000 1.050 1218 K CA 0.822 56.984 56.287 -0.209 0.000 0.945 1218 K CB -0.181 32.219 32.500 -0.167 0.000 0.732 1218 K HN 0.213 nan 8.250 nan 0.000 0.451 1219 L N 0.414 121.552 121.223 -0.142 0.000 2.093 1219 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 1219 L C 2.105 178.956 176.870 -0.033 0.000 1.085 1219 L CA 0.770 55.568 54.840 -0.070 0.000 0.755 1219 L CB -0.303 41.726 42.059 -0.050 0.000 0.904 1219 L HN 0.067 nan 8.230 nan 0.000 0.435 1220 I N -1.215 119.340 120.570 -0.026 0.000 2.585 1220 I HA -0.057 4.113 4.170 -0.000 0.000 0.254 1220 I C 0.982 177.085 176.117 -0.023 0.000 1.129 1220 I CA 0.896 62.204 61.300 0.013 0.000 1.455 1220 I CB -0.432 37.612 38.000 0.074 0.000 1.111 1220 I HN 0.257 nan 8.210 nan 0.000 0.433 1221 Q N 2.027 121.786 119.800 -0.068 0.000 2.706 1221 Q HA 0.239 4.579 4.340 -0.000 0.000 0.250 1221 Q C -1.616 174.337 176.000 -0.079 0.000 1.120 1221 Q CA -1.656 54.106 55.803 -0.070 0.000 0.972 1221 Q CB 1.204 29.889 28.738 -0.088 0.000 1.173 1221 Q HN 0.264 nan 8.270 nan 0.000 0.522 1222 P HA -0.128 nan 4.420 nan 0.000 0.218 1222 P C -0.048 177.221 177.300 -0.051 0.000 1.149 1222 P CA 0.922 63.988 63.100 -0.057 0.000 0.817 1222 P CB 0.713 32.386 31.700 -0.044 0.000 0.785 1223 R N -0.418 120.054 120.500 -0.045 0.000 2.621 1223 R HA 0.426 4.766 4.340 -0.000 0.000 0.292 1223 R C -0.366 175.908 176.300 -0.044 0.000 0.969 1223 R CA -0.402 55.672 56.100 -0.043 0.000 0.887 1223 R CB 1.827 32.106 30.300 -0.036 0.000 1.180 1223 R HN -0.068 nan 8.270 nan 0.000 0.450 1224 T N -0.655 113.872 114.554 -0.045 0.000 2.963 1224 T HA 0.374 4.724 4.350 -0.000 0.000 0.343 1224 T C 0.587 175.261 174.700 -0.044 0.000 1.146 1224 T CA -0.837 61.238 62.100 -0.041 0.000 1.016 1224 T CB 1.178 70.022 68.868 -0.039 0.000 1.046 1224 T HN 0.658 nan 8.240 nan 0.000 0.496 1225 G N 1.985 110.757 108.800 -0.048 0.000 2.414 1225 G HA2 0.424 4.384 3.960 -0.000 0.000 0.236 1225 G HA3 0.424 4.384 3.960 -0.000 0.000 0.236 1225 G C 0.107 174.949 174.900 -0.097 0.000 1.293 1225 G CA -0.249 44.810 45.100 -0.068 0.000 0.869 1225 G HN 1.666 nan 8.290 nan 0.000 0.556 1226 S N 0.346 115.937 115.700 -0.182 0.000 2.465 1226 S HA 0.143 4.613 4.470 -0.000 0.000 0.186 1226 S C -1.444 172.776 174.600 -0.634 0.000 0.839 1226 S CA -0.954 57.000 58.200 -0.410 0.000 1.037 1226 S CB 0.787 63.833 63.200 -0.257 0.000 1.407 1226 S HN 0.403 nan 8.310 nan 0.000 0.396 1227 D N 2.782 122.898 120.400 -0.474 0.000 2.500 1227 D HA 0.344 4.984 4.640 -0.000 0.000 0.219 1227 D C 0.852 176.985 176.300 -0.278 0.000 1.137 1227 D CA -0.408 53.407 54.000 -0.308 0.000 0.946 1227 D CB 0.319 41.032 40.800 -0.145 0.000 1.022 1227 D HN 0.560 nan 8.370 nan 0.000 0.518 1228 H N 1.136 120.199 119.070 -0.012 0.000 2.582 1228 H HA 0.147 4.703 4.556 -0.000 0.000 0.269 1228 H C 1.524 176.846 175.328 -0.010 0.000 0.962 1228 H CA 0.472 56.514 56.048 -0.011 0.000 1.230 1228 H CB 0.330 30.085 29.762 -0.012 0.000 1.445 1228 H HN 0.350 nan 8.280 nan 0.000 0.528 1229 M N 0.636 120.278 119.600 0.070 0.000 2.134 1229 M HA 0.010 4.490 4.480 -0.000 0.000 0.262 1229 M C 0.768 177.077 176.300 0.016 0.000 1.076 1229 M CA 0.618 55.941 55.300 0.038 0.000 1.143 1229 M CB 0.179 32.790 32.600 0.019 0.000 1.346 1229 M HN -0.180 nan 8.290 nan 0.000 0.421 1230 V N 1.583 121.494 119.914 -0.004 0.000 2.686 1230 V HA 0.310 4.430 4.120 -0.000 0.000 0.295 1230 V C 0.256 176.348 176.094 -0.003 0.000 1.055 1230 V CA -0.282 62.013 62.300 -0.008 0.000 1.050 1230 V CB 0.668 32.479 31.823 -0.021 0.000 0.984 1230 V HN 0.609 nan 8.190 nan 0.000 0.482 1231 S N 0.000 115.700 115.700 -0.001 0.000 2.498 1231 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 1231 S CA 0.000 58.201 58.200 0.002 0.000 1.107 1231 S CB 0.000 63.206 63.200 0.010 0.000 0.593 1231 S HN 0.000 nan 8.310 nan 0.000 0.517