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 3ael_1_C DATA FIRST_RESID 1003 DATA SEQUENCE AQDITTTLLH PKGDHVLHSH AYPIFQTSTF CFDSTQQGAD LFMGKGEGHI DATA SEQUENCE YSRLGNPTVE QFEEMVCSIE GAAGSAAFGS GMGAISSSTL AFLQKGDHLI DATA SEQUENCE AGDTLYGCTV SLFTHWLPRF GIEVDLIDTS DVEKVKAAWK PNTKMVYLES DATA SEQUENCE PANPTCKVSD IKGIAVVCHE RGARLVVDAT FTSPCFLKPL ELGADIALHS DATA SEQUENCE VSKYINGHGD VIGGVSSAKT AEDIATIKFY RKDAGSLMAP MDAFLCARGM DATA SEQUENCE KTLPIRMQIH MENGLKVAKF LEQHEKIVKV NHPGLESFPG HDIAKKQMTG DATA SEQUENCE YGSTFLFEMK SFEAAKKLME HLKVCTLAVS LGCVDTLIEH PASMTHAAVP DATA SEQUENCE ENIMRKQGIT PELVRISVGI ENVDDIIADL KQALELW 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 1003 A HA 0.000 nan 4.320 nan 0.000 0.244 1003 A C 0.000 177.585 177.584 0.001 0.000 1.274 1003 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 1003 A CB 0.000 19.000 19.000 0.001 0.000 0.831 1004 Q N 1.599 121.398 119.800 -0.001 0.000 2.315 1004 Q HA 0.192 4.529 4.340 -0.005 0.000 0.289 1004 Q C -0.029 175.975 176.000 0.007 0.000 1.044 1004 Q CA 0.345 56.149 55.803 0.001 0.000 0.920 1004 Q CB 0.458 29.195 28.738 -0.001 0.000 1.214 1004 Q HN 0.703 nan 8.270 nan 0.000 0.392 1005 D N 2.519 122.926 120.400 0.012 0.000 2.382 1005 D HA -0.055 4.582 4.640 -0.005 0.000 0.240 1005 D C 0.928 177.236 176.300 0.014 0.000 1.146 1005 D CA -0.232 53.776 54.000 0.014 0.000 0.897 1005 D CB 0.642 41.453 40.800 0.019 0.000 1.197 1005 D HN 0.633 nan 8.370 nan 0.000 0.432 1006 I N 2.386 122.958 120.570 0.004 0.000 2.264 1006 I HA -0.254 3.913 4.170 -0.005 0.000 0.248 1006 I C 2.194 178.311 176.117 0.000 0.000 1.111 1006 I CA 2.053 63.349 61.300 -0.007 0.000 1.382 1006 I CB -0.835 37.148 38.000 -0.029 0.000 1.060 1006 I HN 0.756 nan 8.210 nan 0.000 0.418 1007 T N -2.899 111.660 114.554 0.008 0.000 2.665 1007 T HA -0.231 4.116 4.350 -0.005 0.000 0.268 1007 T C 1.875 176.606 174.700 0.052 0.000 1.035 1007 T CA 2.308 64.420 62.100 0.020 0.000 1.151 1007 T CB -1.456 67.428 68.868 0.026 0.000 0.862 1007 T HN 0.369 nan 8.240 nan 0.000 0.438 1008 T N 1.554 116.151 114.554 0.073 0.000 2.777 1008 T HA -0.064 4.283 4.350 -0.005 0.000 0.266 1008 T C 2.280 177.083 174.700 0.171 0.000 1.040 1008 T CA 1.703 63.890 62.100 0.145 0.000 1.141 1008 T CB -0.969 67.950 68.868 0.085 0.000 0.868 1008 T HN 0.514 nan 8.240 nan 0.000 0.444 1009 T N 2.533 117.136 114.554 0.082 0.000 2.720 1009 T HA 0.011 4.358 4.350 -0.005 0.000 0.268 1009 T C 1.928 176.650 174.700 0.038 0.000 1.037 1009 T CA 0.947 63.082 62.100 0.058 0.000 1.144 1009 T CB -0.461 68.416 68.868 0.016 0.000 0.864 1009 T HN 0.260 nan 8.240 nan 0.000 0.444 1010 L N 0.176 121.405 121.223 0.010 0.000 2.201 1010 L HA 0.054 4.391 4.340 -0.005 0.000 0.212 1010 L C 2.183 179.024 176.870 -0.048 0.000 1.105 1010 L CA 0.878 55.703 54.840 -0.025 0.000 0.775 1010 L CB -0.380 41.661 42.059 -0.031 0.000 0.913 1010 L HN 0.266 nan 8.230 nan 0.000 0.440 1011 L N -1.405 119.789 121.223 -0.050 0.000 2.492 1011 L HA -0.017 4.320 4.340 -0.005 0.000 0.223 1011 L C 0.621 177.188 176.870 -0.506 0.000 1.132 1011 L CA 0.299 55.013 54.840 -0.210 0.000 0.850 1011 L CB -0.043 41.926 42.059 -0.150 0.000 0.966 1011 L HN 0.305 nan 8.230 nan 0.000 0.454 1012 H N 0.142 119.224 119.070 0.021 0.000 2.386 1012 H HA 0.300 4.853 4.556 -0.004 0.000 0.232 1012 H C -2.239 173.089 175.328 0.001 0.000 1.416 1012 H CA -1.596 54.469 56.048 0.028 0.000 1.285 1012 H CB 0.236 30.018 29.762 0.034 0.000 1.625 1012 H HN 0.061 nan 8.280 nan 0.000 0.521 1013 P HA 0.119 nan 4.420 nan 0.000 0.275 1013 P C 0.247 177.537 177.300 -0.017 0.000 1.228 1013 P CA -0.422 62.670 63.100 -0.013 0.000 0.786 1013 P CB 1.853 33.520 31.700 -0.055 0.000 0.927 1014 K N 0.818 121.201 120.400 -0.029 0.000 2.380 1014 K HA 0.497 4.814 4.320 -0.005 0.000 0.267 1014 K C 0.630 177.196 176.600 -0.056 0.000 0.990 1014 K CA 0.444 56.709 56.287 -0.037 0.000 0.946 1014 K CB -0.014 32.465 32.500 -0.034 0.000 0.937 1014 K HN 0.889 nan 8.250 nan 0.000 0.491 1015 G N 1.716 110.481 108.800 -0.059 0.000 2.316 1015 G HA2 -0.067 3.891 3.960 -0.005 0.000 0.468 1015 G HA3 -0.067 3.891 3.960 -0.005 0.000 0.468 1015 G C -1.628 173.229 174.900 -0.072 0.000 1.523 1015 G CA -1.052 44.021 45.100 -0.045 0.000 0.972 1015 G HN 0.499 nan 8.290 nan 0.000 0.667 1016 D N 0.922 121.310 120.400 -0.020 0.000 2.372 1016 D HA 0.319 4.956 4.640 -0.005 0.000 0.243 1016 D C 0.736 177.037 176.300 0.003 0.000 1.121 1016 D CA 0.162 54.137 54.000 -0.042 0.000 0.898 1016 D CB 0.389 41.197 40.800 0.014 0.000 1.202 1016 D HN 0.339 nan 8.370 nan 0.000 0.428 1017 H N -0.030 119.078 119.070 0.063 0.000 2.690 1017 H HA 0.164 4.717 4.556 -0.005 0.000 0.365 1017 H C -0.174 175.148 175.328 -0.011 0.000 1.142 1017 H CA -0.088 55.987 56.048 0.046 0.000 1.417 1017 H CB 0.673 30.437 29.762 0.004 0.000 1.446 1017 H HN -0.033 nan 8.280 nan 0.000 0.599 1018 V N 4.530 124.484 119.914 0.067 0.000 2.350 1018 V HA 0.004 4.121 4.120 -0.005 0.000 0.276 1018 V C 1.082 177.190 176.094 0.022 0.000 1.028 1018 V CA -0.520 61.785 62.300 0.009 0.000 0.860 1018 V CB 0.916 32.682 31.823 -0.095 0.000 0.990 1018 V HN 0.728 nan 8.190 nan 0.000 0.453 1019 L N 6.334 127.595 121.223 0.064 0.000 3.678 1019 L HA -0.270 4.068 4.340 -0.005 0.000 0.425 1019 L C 1.099 178.099 176.870 0.217 0.000 1.240 1019 L CA 0.697 55.616 54.840 0.131 0.000 0.876 1019 L CB -1.430 40.668 42.059 0.066 0.000 1.766 1019 L HN 1.123 nan 8.230 nan 0.000 0.917 1020 H N -2.431 116.671 119.070 0.054 0.000 3.141 1020 H HA -0.176 4.377 4.556 -0.005 0.000 0.260 1020 H C 1.158 176.457 175.328 -0.048 0.000 1.132 1020 H CA 1.202 57.267 56.048 0.027 0.000 1.171 1020 H CB -1.076 28.694 29.762 0.014 0.000 1.274 1020 H HN 0.520 nan 8.280 nan 0.000 0.329 1021 S N -0.349 115.376 115.700 0.042 0.000 2.525 1021 S HA -0.061 4.406 4.470 -0.005 0.000 0.285 1021 S C 1.616 176.180 174.600 -0.060 0.000 1.283 1021 S CA 0.218 58.416 58.200 -0.004 0.000 1.072 1021 S CB 0.537 63.717 63.200 -0.035 0.000 0.867 1021 S HN 0.586 nan 8.310 nan 0.000 0.492 1022 H N 4.011 122.997 119.070 -0.140 0.000 2.299 1022 H HA 0.063 4.616 4.556 -0.005 0.000 0.302 1022 H C 0.961 176.286 175.328 -0.004 0.000 1.078 1022 H CA 1.076 57.025 56.048 -0.165 0.000 1.323 1022 H CB -0.174 29.535 29.762 -0.088 0.000 1.381 1022 H HN 0.727 nan 8.280 nan 0.000 0.498 1023 A N 0.430 123.200 122.820 -0.083 0.000 2.340 1023 A HA 0.181 4.498 4.320 -0.005 0.000 0.268 1023 A C -1.076 176.573 177.584 0.107 0.000 1.100 1023 A CA -0.362 51.661 52.037 -0.023 0.000 0.803 1023 A CB -0.115 18.935 19.000 0.084 0.000 1.043 1023 A HN 0.515 nan 8.150 nan 0.000 0.488 1024 Y N 2.922 123.286 120.300 0.106 0.000 2.402 1024 Y HA 0.357 4.904 4.550 -0.004 0.000 0.333 1024 Y C -1.871 174.146 175.900 0.195 0.000 1.076 1024 Y CA -1.304 56.897 58.100 0.169 0.000 1.299 1024 Y CB 0.421 38.980 38.460 0.166 0.000 1.197 1024 Y HN 0.507 nan 8.280 nan 0.000 0.517 1025 P HA 0.110 nan 4.420 nan 0.000 0.271 1025 P C -0.906 176.410 177.300 0.027 0.000 1.233 1025 P CA 0.062 63.066 63.100 -0.160 0.000 0.789 1025 P CB 0.639 32.074 31.700 -0.442 0.000 0.951 1026 I N 1.440 121.923 120.570 -0.146 0.000 2.301 1026 I HA 0.196 4.363 4.170 -0.005 0.000 0.292 1026 I C 0.006 176.025 176.117 -0.164 0.000 1.046 1026 I CA -0.275 60.986 61.300 -0.065 0.000 1.282 1026 I CB -0.052 37.809 38.000 -0.232 0.000 1.409 1026 I HN 0.202 nan 8.210 nan 0.000 0.484 1027 F N 4.781 124.736 119.950 0.009 0.000 2.573 1027 F HA 0.172 4.697 4.527 -0.004 0.000 0.349 1027 F C 1.044 176.804 175.800 -0.066 0.000 1.213 1027 F CA -0.427 57.560 58.000 -0.023 0.000 1.300 1027 F CB 0.167 39.203 39.000 0.060 0.000 1.661 1027 F HN 0.470 nan 8.300 nan 0.000 0.616 1028 Q N 2.410 122.187 119.800 -0.038 0.000 2.815 1028 Q HA 0.149 4.486 4.340 -0.005 0.000 0.235 1028 Q C -0.287 175.654 176.000 -0.098 0.000 1.354 1028 Q CA 0.205 55.969 55.803 -0.065 0.000 0.953 1028 Q CB 0.060 28.737 28.738 -0.102 0.000 1.613 1028 Q HN 0.414 nan 8.270 nan 0.000 0.572 1029 T N -0.119 114.373 114.554 -0.103 0.000 2.923 1029 T HA 0.431 4.778 4.350 -0.005 0.000 0.311 1029 T C 0.604 175.175 174.700 -0.215 0.000 1.183 1029 T CA 0.076 62.056 62.100 -0.201 0.000 1.020 1029 T CB 1.153 69.803 68.868 -0.364 0.000 1.165 1029 T HN 0.451 nan 8.240 nan 0.000 0.482 1030 S N 2.308 117.878 115.700 -0.217 0.000 2.412 1030 S HA 0.237 4.704 4.470 -0.005 0.000 0.223 1030 S C 1.051 175.493 174.600 -0.262 0.000 1.048 1030 S CA 0.373 58.416 58.200 -0.263 0.000 0.954 1030 S CB -0.129 62.994 63.200 -0.129 0.000 0.840 1030 S HN 0.696 nan 8.310 nan 0.000 0.503 1031 T N 0.274 114.744 114.554 -0.139 0.000 2.927 1031 T HA 0.719 5.066 4.350 -0.005 0.000 0.286 1031 T C -1.868 172.645 174.700 -0.312 0.000 1.040 1031 T CA -0.776 61.341 62.100 0.028 0.000 1.010 1031 T CB 0.877 69.840 68.868 0.158 0.000 1.177 1031 T HN 0.208 nan 8.240 nan 0.000 0.546 1032 F N 0.193 120.117 119.950 -0.043 0.000 2.588 1032 F HA 0.546 5.071 4.527 -0.003 0.000 0.314 1032 F C 0.080 175.740 175.800 -0.233 0.000 1.069 1032 F CA -0.817 57.140 58.000 -0.072 0.000 0.931 1032 F CB 1.374 40.375 39.000 0.002 0.000 1.260 1032 F HN 0.521 nan 8.300 nan 0.000 0.465 1033 C N 2.160 121.478 119.300 0.031 0.000 2.466 1033 C HA 0.572 5.029 4.460 -0.005 0.000 0.379 1033 C C -0.371 174.649 174.990 0.049 0.000 1.251 1033 C CA -0.696 58.287 59.018 -0.057 0.000 2.263 1033 C CB -0.242 27.517 27.740 0.032 0.000 2.511 1033 C HN 0.402 nan 8.230 nan 0.000 0.573 1034 F N 1.419 121.443 119.950 0.125 0.000 2.425 1034 F HA 0.297 4.822 4.527 -0.004 0.000 0.331 1034 F C 1.346 177.194 175.800 0.080 0.000 1.085 1034 F CA -0.811 57.251 58.000 0.104 0.000 1.028 1034 F CB 0.582 39.645 39.000 0.106 0.000 1.177 1034 F HN 0.572 nan 8.300 nan 0.000 0.487 1035 D N 0.135 120.700 120.400 0.275 0.000 2.183 1035 D HA -0.013 4.624 4.640 -0.005 0.000 0.203 1035 D C 0.439 176.817 176.300 0.131 0.000 0.969 1035 D CA 1.128 55.224 54.000 0.160 0.000 0.842 1035 D CB 0.230 41.097 40.800 0.113 0.000 0.957 1035 D HN 0.420 nan 8.370 nan 0.000 0.484 1036 S N -2.700 113.080 115.700 0.134 0.000 2.595 1036 S HA 0.170 4.637 4.470 -0.005 0.000 0.270 1036 S C 0.609 175.242 174.600 0.055 0.000 1.145 1036 S CA -0.367 57.882 58.200 0.081 0.000 0.825 1036 S CB 1.618 64.843 63.200 0.041 0.000 1.107 1036 S HN -0.133 nan 8.310 nan 0.000 0.461 1037 T N 0.408 114.986 114.554 0.041 0.000 2.665 1037 T HA -0.207 4.140 4.350 -0.005 0.000 0.268 1037 T C 1.739 176.403 174.700 -0.061 0.000 1.035 1037 T CA 2.683 64.788 62.100 0.008 0.000 1.151 1037 T CB -0.677 68.202 68.868 0.018 0.000 0.862 1037 T HN 0.675 nan 8.240 nan 0.000 0.438 1038 Q N 0.802 120.575 119.800 -0.044 0.000 2.045 1038 Q HA -0.145 4.192 4.340 -0.005 0.000 0.206 1038 Q C 2.365 178.304 176.000 -0.101 0.000 0.991 1038 Q CA 2.140 57.908 55.803 -0.057 0.000 0.851 1038 Q CB -0.637 28.082 28.738 -0.031 0.000 0.911 1038 Q HN 0.585 nan 8.270 nan 0.000 0.418 1039 Q N -0.943 118.795 119.800 -0.103 0.000 2.096 1039 Q HA -0.144 4.193 4.340 -0.005 0.000 0.204 1039 Q C 1.857 177.664 176.000 -0.321 0.000 0.982 1039 Q CA 1.895 57.618 55.803 -0.133 0.000 0.850 1039 Q CB -0.581 28.128 28.738 -0.048 0.000 0.901 1039 Q HN 0.533 nan 8.270 nan 0.000 0.422 1040 G N 0.337 108.767 108.800 -0.617 0.000 2.404 1040 G HA2 -0.175 3.782 3.960 -0.005 0.000 0.215 1040 G HA3 -0.175 3.782 3.960 -0.005 0.000 0.215 1040 G C 1.563 176.151 174.900 -0.519 0.000 1.174 1040 G CA 1.247 45.487 45.100 -1.433 0.000 0.780 1040 G HN 0.519 nan 8.290 nan 0.000 0.537 1041 A N 1.303 123.976 122.820 -0.244 0.000 1.892 1041 A HA -0.146 4.171 4.320 -0.005 0.000 0.218 1041 A C 2.106 179.679 177.584 -0.019 0.000 1.188 1041 A CA 2.333 54.333 52.037 -0.062 0.000 0.631 1041 A CB -0.623 18.340 19.000 -0.062 0.000 0.822 1041 A HN 0.293 nan 8.150 nan 0.000 0.447 1042 D N -0.140 120.214 120.400 -0.078 0.000 2.123 1042 D HA -0.119 4.518 4.640 -0.005 0.000 0.196 1042 D C 1.911 178.176 176.300 -0.058 0.000 0.992 1042 D CA 1.036 55.002 54.000 -0.056 0.000 0.833 1042 D CB -0.356 40.404 40.800 -0.068 0.000 0.954 1042 D HN 0.460 nan 8.370 nan 0.000 0.455 1043 L N -0.631 120.521 121.223 -0.119 0.000 2.083 1043 L HA -0.135 4.203 4.340 -0.005 0.000 0.209 1043 L C 2.262 179.051 176.870 -0.134 0.000 1.083 1043 L CA 0.691 55.442 54.840 -0.148 0.000 0.752 1043 L CB -0.329 41.611 42.059 -0.198 0.000 0.899 1043 L HN -0.003 nan 8.230 nan 0.000 0.433 1044 F N -0.496 119.405 119.950 -0.081 0.000 2.216 1044 F HA -0.181 4.343 4.527 -0.005 0.000 0.300 1044 F C 2.338 178.128 175.800 -0.017 0.000 1.085 1044 F CA 1.116 59.100 58.000 -0.027 0.000 1.326 1044 F CB -0.181 38.803 39.000 -0.026 0.000 1.027 1044 F HN 0.024 nan 8.300 nan 0.000 0.497 1045 M N -0.712 118.963 119.600 0.124 0.000 2.618 1045 M HA 0.177 4.655 4.480 -0.005 0.000 0.240 1045 M C 1.482 177.797 176.300 0.026 0.000 1.123 1045 M CA 0.838 56.178 55.300 0.067 0.000 1.060 1045 M CB -0.290 32.333 32.600 0.037 0.000 1.535 1045 M HN 0.257 nan 8.290 nan 0.000 0.507 1046 G N 1.988 110.786 108.800 -0.005 0.000 2.143 1046 G HA2 -0.287 3.671 3.960 -0.005 0.000 0.248 1046 G HA3 -0.287 3.671 3.960 -0.005 0.000 0.248 1046 G C 0.001 174.877 174.900 -0.040 0.000 0.991 1046 G CA 0.247 45.328 45.100 -0.031 0.000 0.689 1046 G HN 0.483 nan 8.290 nan 0.000 0.522 1047 K N 0.393 120.769 120.400 -0.040 0.000 2.185 1047 K HA 0.590 4.907 4.320 -0.005 0.000 0.269 1047 K C 0.866 177.432 176.600 -0.057 0.000 0.987 1047 K CA 0.502 56.765 56.287 -0.041 0.000 0.865 1047 K CB 0.813 33.295 32.500 -0.030 0.000 1.090 1047 K HN 1.638 nan 8.250 nan 0.000 0.450 1048 G N 2.466 111.233 108.800 -0.054 0.000 2.756 1048 G HA2 -0.180 3.777 3.960 -0.005 0.000 0.678 1048 G HA3 -0.180 3.777 3.960 -0.005 0.000 0.678 1048 G C -1.270 173.582 174.900 -0.080 0.000 1.349 1048 G CA -0.791 44.275 45.100 -0.058 0.000 0.847 1048 G HN 0.615 nan 8.290 nan 0.000 0.548 1049 E N -0.023 120.131 120.200 -0.076 0.000 2.191 1049 E HA 0.668 5.015 4.350 -0.005 0.000 0.274 1049 E C 0.520 177.045 176.600 -0.125 0.000 0.948 1049 E CA -0.108 56.227 56.400 -0.108 0.000 0.802 1049 E CB 1.908 31.563 29.700 -0.075 0.000 1.137 1049 E HN 1.980 nan 8.360 nan 0.000 0.397 1050 G N 1.556 110.210 108.800 -0.243 0.000 2.369 1050 G HA2 0.058 4.015 3.960 -0.005 0.000 0.295 1050 G HA3 0.058 4.015 3.960 -0.005 0.000 0.295 1050 G C -1.674 172.897 174.900 -0.548 0.000 1.298 1050 G CA -1.006 43.944 45.100 -0.250 0.000 0.940 1050 G HN 0.556 nan 8.290 nan 0.000 0.536 1051 H N -1.615 117.278 119.070 -0.295 0.000 2.797 1051 H HA 0.793 5.346 4.556 -0.004 0.000 0.372 1051 H C 0.977 176.133 175.328 -0.287 0.000 1.168 1051 H CA -0.593 55.118 56.048 -0.562 0.000 1.163 1051 H CB 2.192 31.092 29.762 -1.437 0.000 1.778 1051 H HN 0.380 nan 8.280 nan 0.000 0.551 1052 I N -0.609 119.909 120.570 -0.087 0.000 3.878 1052 I HA 0.176 4.343 4.170 -0.005 0.000 0.273 1052 I C -1.033 175.312 176.117 0.380 0.000 1.165 1052 I CA 0.036 61.427 61.300 0.150 0.000 1.360 1052 I CB 1.004 38.944 38.000 -0.100 0.000 1.539 1052 I HN 0.376 nan 8.210 nan 0.000 0.447 1053 Y N -0.347 120.069 120.300 0.193 0.000 2.457 1053 Y HA 0.197 4.744 4.550 -0.005 0.000 0.322 1053 Y C 0.559 176.579 175.900 0.200 0.000 1.218 1053 Y CA -0.895 57.349 58.100 0.239 0.000 1.116 1053 Y CB 1.416 39.950 38.460 0.123 0.000 1.335 1053 Y HN -0.163 nan 8.280 nan 0.000 0.452 1054 S N 3.313 118.885 115.700 -0.213 0.000 2.399 1054 S HA -0.153 4.314 4.470 -0.005 0.000 0.231 1054 S C 1.886 176.414 174.600 -0.119 0.000 1.022 1054 S CA 1.590 59.734 58.200 -0.093 0.000 0.983 1054 S CB -0.165 62.961 63.200 -0.124 0.000 0.803 1054 S HN 0.716 nan 8.310 nan 0.000 0.480 1055 R N 0.958 121.340 120.500 -0.196 0.000 2.120 1055 R HA -0.017 4.320 4.340 -0.005 0.000 0.234 1055 R C 1.845 178.172 176.300 0.044 0.000 1.123 1055 R CA 1.147 57.247 56.100 0.000 0.000 0.975 1055 R CB -0.239 30.158 30.300 0.161 0.000 0.866 1055 R HN 0.377 nan 8.270 nan 0.000 0.446 1056 L N -1.291 119.990 121.223 0.096 0.000 2.209 1056 L HA 0.243 4.580 4.340 -0.005 0.000 0.207 1056 L C 0.894 177.759 176.870 -0.008 0.000 1.094 1056 L CA 0.496 55.357 54.840 0.035 0.000 0.790 1056 L CB 0.105 42.180 42.059 0.026 0.000 0.932 1056 L HN 0.346 nan 8.230 nan 0.000 0.447 1057 G N 0.056 108.860 108.800 0.007 0.000 2.476 1057 G HA2 0.120 4.078 3.960 -0.005 0.000 0.309 1057 G HA3 0.120 4.078 3.960 -0.005 0.000 0.309 1057 G C -2.012 172.916 174.900 0.046 0.000 1.575 1057 G CA -0.567 44.540 45.100 0.012 0.000 0.913 1057 G HN -0.055 nan 8.290 nan 0.000 0.623 1058 N N 2.823 121.529 118.700 0.011 0.000 2.314 1058 N HA 0.473 5.210 4.740 -0.005 0.000 0.294 1058 N C -1.974 173.460 175.510 -0.127 0.000 1.029 1058 N CA -1.967 51.070 53.050 -0.022 0.000 0.845 1058 N CB 3.480 41.998 38.487 0.052 0.000 1.321 1058 N HN 0.040 nan 8.380 nan 0.000 0.481 1059 P HA -0.071 nan 4.420 nan 0.000 0.216 1059 P C 1.018 178.287 177.300 -0.052 0.000 1.150 1059 P CA 1.610 64.496 63.100 -0.356 0.000 0.837 1059 P CB 0.265 31.457 31.700 -0.847 0.000 0.786 1060 T N -1.010 113.641 114.554 0.161 0.000 2.821 1060 T HA -0.061 4.287 4.350 -0.005 0.000 0.267 1060 T C 1.838 176.596 174.700 0.098 0.000 1.046 1060 T CA 1.030 63.283 62.100 0.255 0.000 1.139 1060 T CB -0.896 68.205 68.868 0.388 0.000 0.871 1060 T HN -0.099 nan 8.240 nan 0.000 0.454 1061 V N 1.548 121.510 119.914 0.080 0.000 2.358 1061 V HA -0.134 3.983 4.120 -0.005 0.000 0.246 1061 V C 2.438 178.572 176.094 0.066 0.000 1.047 1061 V CA 1.555 63.906 62.300 0.086 0.000 1.035 1061 V CB -0.591 31.259 31.823 0.046 0.000 0.658 1061 V HN 0.520 nan 8.190 nan 0.000 0.452 1062 E N -0.472 119.723 120.200 -0.008 0.000 2.118 1062 E HA -0.258 4.089 4.350 -0.005 0.000 0.195 1062 E C 2.380 178.919 176.600 -0.102 0.000 0.992 1062 E CA 1.089 57.461 56.400 -0.048 0.000 0.804 1062 E CB -0.148 29.529 29.700 -0.039 0.000 0.741 1062 E HN 0.509 nan 8.360 nan 0.000 0.458 1063 Q N -0.129 119.564 119.800 -0.179 0.000 2.084 1063 Q HA -0.173 4.164 4.340 -0.005 0.000 0.202 1063 Q C 2.030 177.963 176.000 -0.111 0.000 0.978 1063 Q CA 1.213 56.857 55.803 -0.265 0.000 0.844 1063 Q CB -0.267 28.155 28.738 -0.526 0.000 0.898 1063 Q HN 0.350 nan 8.270 nan 0.000 0.426 1064 F N 1.686 121.555 119.950 -0.135 0.000 2.134 1064 F HA -0.175 4.349 4.527 -0.004 0.000 0.299 1064 F C 1.995 177.754 175.800 -0.068 0.000 1.097 1064 F CA 1.416 59.364 58.000 -0.087 0.000 1.264 1064 F CB 0.105 39.072 39.000 -0.055 0.000 1.001 1064 F HN 0.097 nan 8.300 nan 0.000 0.479 1065 E N -0.040 120.030 120.200 -0.217 0.000 2.085 1065 E HA -0.307 4.040 4.350 -0.005 0.000 0.194 1065 E C 2.006 178.452 176.600 -0.257 0.000 0.994 1065 E CA 1.524 57.765 56.400 -0.265 0.000 0.801 1065 E CB -0.284 29.357 29.700 -0.098 0.000 0.743 1065 E HN 0.457 nan 8.360 nan 0.000 0.453 1066 E N 0.959 121.044 120.200 -0.192 0.000 2.110 1066 E HA -0.181 4.166 4.350 -0.005 0.000 0.193 1066 E C 1.895 178.388 176.600 -0.178 0.000 0.988 1066 E CA 1.335 57.642 56.400 -0.155 0.000 0.804 1066 E CB -0.114 29.510 29.700 -0.126 0.000 0.745 1066 E HN 0.226 nan 8.360 nan 0.000 0.458 1067 M N -0.501 118.961 119.600 -0.230 0.000 2.086 1067 M HA -0.144 4.333 4.480 -0.005 0.000 0.261 1067 M C 2.199 178.350 176.300 -0.248 0.000 1.067 1067 M CA 1.398 56.571 55.300 -0.212 0.000 1.116 1067 M CB -0.208 32.274 32.600 -0.197 0.000 1.348 1067 M HN 0.045 nan 8.290 nan 0.000 0.407 1068 V N -0.446 119.228 119.914 -0.399 0.000 2.343 1068 V HA -0.314 3.803 4.120 -0.005 0.000 0.247 1068 V C 2.470 178.461 176.094 -0.171 0.000 1.051 1068 V CA 1.834 63.941 62.300 -0.321 0.000 1.036 1068 V CB -0.742 30.819 31.823 -0.436 0.000 0.654 1068 V HN 0.687 nan 8.190 nan 0.000 0.451 1069 C N 0.986 120.193 119.300 -0.155 0.000 2.413 1069 C HA -0.171 4.286 4.460 -0.005 0.000 0.276 1069 C C 3.395 178.344 174.990 -0.068 0.000 1.248 1069 C CA 1.677 60.645 59.018 -0.085 0.000 1.742 1069 C CB -1.095 26.598 27.740 -0.078 0.000 2.017 1069 C HN 0.785 nan 8.230 nan 0.000 0.481 1070 S N -0.035 115.615 115.700 -0.083 0.000 2.382 1070 S HA -0.160 4.307 4.470 -0.005 0.000 0.228 1070 S C 1.848 176.416 174.600 -0.053 0.000 1.027 1070 S CA 1.780 59.944 58.200 -0.061 0.000 0.991 1070 S CB -0.758 62.405 63.200 -0.062 0.000 0.823 1070 S HN 0.761 nan 8.310 nan 0.000 0.469 1071 I N 0.768 121.297 120.570 -0.068 0.000 2.852 1071 I HA 0.026 4.193 4.170 -0.005 0.000 0.264 1071 I C 2.061 178.159 176.117 -0.033 0.000 1.179 1071 I CA 0.830 62.096 61.300 -0.057 0.000 1.480 1071 I CB -0.033 37.918 38.000 -0.081 0.000 1.111 1071 I HN 0.190 nan 8.210 nan 0.000 0.441 1072 E N 1.129 121.314 120.200 -0.025 0.000 2.274 1072 E HA -0.028 4.319 4.350 -0.005 0.000 0.194 1072 E C 1.419 178.023 176.600 0.007 0.000 0.996 1072 E CA 0.906 57.312 56.400 0.011 0.000 0.840 1072 E CB -0.168 29.550 29.700 0.031 0.000 0.772 1072 E HN 0.619 nan 8.360 nan 0.000 0.491 1073 G N 1.522 110.318 108.800 -0.007 0.000 2.225 1073 G HA2 -0.241 3.716 3.960 -0.005 0.000 0.264 1073 G HA3 -0.241 3.716 3.960 -0.005 0.000 0.264 1073 G C 0.313 175.212 174.900 -0.002 0.000 1.060 1073 G CA 0.378 45.474 45.100 -0.006 0.000 0.833 1073 G HN 0.513 nan 8.290 nan 0.000 0.498 1074 A N -0.788 122.031 122.820 -0.002 0.000 2.242 1074 A HA 0.962 5.279 4.320 -0.005 0.000 0.304 1074 A C 1.574 179.159 177.584 0.001 0.000 1.100 1074 A CA 0.510 52.551 52.037 0.006 0.000 0.860 1074 A CB 0.762 19.772 19.000 0.016 0.000 1.168 1074 A HN 1.651 nan 8.150 nan 0.000 0.503 1075 A N -0.845 121.980 122.820 0.008 0.000 2.021 1075 A HA 0.497 4.814 4.320 -0.005 0.000 0.216 1075 A C 1.066 178.653 177.584 0.006 0.000 1.163 1075 A CA 1.429 53.470 52.037 0.006 0.000 0.676 1075 A CB -0.417 18.591 19.000 0.013 0.000 0.818 1075 A HN 2.154 nan 8.150 nan 0.000 0.453 1076 G N -2.298 106.511 108.800 0.015 0.000 2.579 1076 G HA2 0.492 4.449 3.960 -0.005 0.000 0.292 1076 G HA3 0.492 4.449 3.960 -0.005 0.000 0.292 1076 G C -1.224 173.690 174.900 0.024 0.000 1.484 1076 G CA 0.022 45.128 45.100 0.010 0.000 0.813 1076 G HN 0.259 nan 8.290 nan 0.000 0.515 1077 S N -1.192 114.511 115.700 0.004 0.000 2.568 1077 S HA 0.897 5.364 4.470 -0.005 0.000 0.293 1077 S C -0.287 174.323 174.600 0.015 0.000 1.089 1077 S CA -0.155 58.057 58.200 0.021 0.000 0.945 1077 S CB 1.924 65.100 63.200 -0.041 0.000 1.077 1077 S HN 1.712 nan 8.310 nan 0.000 0.485 1078 A N 1.215 124.069 122.820 0.058 0.000 2.343 1078 A HA 0.842 5.159 4.320 -0.005 0.000 0.308 1078 A C -0.283 177.206 177.584 -0.157 0.000 1.092 1078 A CA -0.679 51.306 52.037 -0.086 0.000 0.751 1078 A CB 0.883 19.840 19.000 -0.070 0.000 1.203 1078 A HN 1.031 nan 8.150 nan 0.000 0.452 1079 A N 1.700 124.390 122.820 -0.218 0.000 2.293 1079 A HA 0.889 5.206 4.320 -0.005 0.000 0.302 1079 A C -0.750 176.568 177.584 -0.443 0.000 1.119 1079 A CA -0.115 51.884 52.037 -0.064 0.000 0.823 1079 A CB 0.173 19.279 19.000 0.177 0.000 1.097 1079 A HN 0.769 nan 8.150 nan 0.000 0.491 1080 F N -0.704 119.327 119.950 0.135 0.000 2.650 1080 F HA 0.529 5.053 4.527 -0.005 0.000 0.320 1080 F C 1.511 177.350 175.800 0.066 0.000 1.091 1080 F CA -0.019 58.039 58.000 0.097 0.000 0.962 1080 F CB 1.801 40.866 39.000 0.109 0.000 1.363 1080 F HN 0.620 nan 8.300 nan 0.000 0.482 1081 G N -0.210 108.739 108.800 0.249 0.000 2.498 1081 G HA2 0.231 4.188 3.960 -0.005 0.000 0.219 1081 G HA3 0.231 4.188 3.960 -0.005 0.000 0.219 1081 G C -0.126 174.848 174.900 0.125 0.000 1.119 1081 G CA 0.999 46.182 45.100 0.138 0.000 0.766 1081 G HN 0.663 nan 8.290 nan 0.000 0.552 1082 S N -3.613 112.187 115.700 0.167 0.000 2.578 1082 S HA 0.502 4.969 4.470 -0.005 0.000 0.272 1082 S C 1.005 175.672 174.600 0.111 0.000 1.145 1082 S CA 0.172 58.437 58.200 0.108 0.000 0.835 1082 S CB 1.030 64.273 63.200 0.073 0.000 1.104 1082 S HN 0.455 nan 8.310 nan 0.000 0.458 1083 G N 0.971 109.814 108.800 0.071 0.000 2.469 1083 G HA2 -0.188 3.769 3.960 -0.005 0.000 0.219 1083 G HA3 -0.188 3.769 3.960 -0.005 0.000 0.219 1083 G C 1.158 176.060 174.900 0.004 0.000 1.150 1083 G CA 1.349 46.475 45.100 0.044 0.000 0.763 1083 G HN 0.577 nan 8.290 nan 0.000 0.561 1084 M N 1.143 120.751 119.600 0.014 0.000 2.213 1084 M HA 0.008 4.485 4.480 -0.005 0.000 0.263 1084 M C 2.777 179.052 176.300 -0.041 0.000 1.062 1084 M CA 1.070 56.374 55.300 0.008 0.000 1.105 1084 M CB -1.720 30.908 32.600 0.046 0.000 1.385 1084 M HN 0.267 nan 8.290 nan 0.000 0.417 1085 G N -0.055 108.725 108.800 -0.034 0.000 2.421 1085 G HA2 -0.086 3.871 3.960 -0.005 0.000 0.216 1085 G HA3 -0.086 3.871 3.960 -0.005 0.000 0.216 1085 G C 1.683 176.238 174.900 -0.574 0.000 1.171 1085 G CA 1.252 46.294 45.100 -0.097 0.000 0.775 1085 G HN 0.543 nan 8.290 nan 0.000 0.543 1086 A N 0.601 123.039 122.820 -0.636 0.000 1.902 1086 A HA 0.058 4.376 4.320 -0.005 0.000 0.217 1086 A C 2.415 179.750 177.584 -0.415 0.000 1.181 1086 A CA 1.308 52.791 52.037 -0.924 0.000 0.623 1086 A CB -0.331 18.553 19.000 -0.192 0.000 0.818 1086 A HN 0.386 nan 8.150 nan 0.000 0.443 1087 I N -0.586 119.886 120.570 -0.163 0.000 2.163 1087 I HA -0.206 3.961 4.170 -0.005 0.000 0.240 1087 I C 2.731 178.837 176.117 -0.018 0.000 1.081 1087 I CA 1.407 62.707 61.300 0.000 0.000 1.353 1087 I CB -0.337 37.673 38.000 0.017 0.000 1.054 1087 I HN 0.219 nan 8.210 nan 0.000 0.407 1088 S N 0.343 116.008 115.700 -0.059 0.000 2.370 1088 S HA -0.180 4.287 4.470 -0.005 0.000 0.226 1088 S C 2.124 176.629 174.600 -0.158 0.000 1.033 1088 S CA 1.850 60.037 58.200 -0.021 0.000 1.011 1088 S CB -0.205 63.021 63.200 0.043 0.000 0.852 1088 S HN 0.383 nan 8.310 nan 0.000 0.457 1089 S N 0.954 116.523 115.700 -0.220 0.000 2.461 1089 S HA 0.079 4.546 4.470 -0.005 0.000 0.228 1089 S C 1.769 176.219 174.600 -0.250 0.000 1.005 1089 S CA 0.399 58.422 58.200 -0.296 0.000 0.942 1089 S CB -0.033 63.117 63.200 -0.083 0.000 0.776 1089 S HN 0.401 nan 8.310 nan 0.000 0.514 1090 S N 0.795 116.442 115.700 -0.089 0.000 2.548 1090 S HA 0.038 4.506 4.470 -0.005 0.000 0.215 1090 S C 1.866 176.614 174.600 0.247 0.000 0.976 1090 S CA 0.804 59.092 58.200 0.146 0.000 0.908 1090 S CB 0.127 63.430 63.200 0.172 0.000 0.781 1090 S HN 0.818 nan 8.310 nan 0.000 0.519 1091 T N -0.495 114.114 114.554 0.091 0.000 3.182 1091 T HA 0.292 4.639 4.350 -0.005 0.000 0.244 1091 T C 1.547 176.245 174.700 -0.004 0.000 0.981 1091 T CA -0.162 62.007 62.100 0.114 0.000 1.182 1091 T CB -0.619 68.312 68.868 0.104 0.000 1.043 1091 T HN 0.184 nan 8.240 nan 0.000 0.424 1092 L N 1.566 122.684 121.223 -0.174 0.000 2.465 1092 L HA 0.288 4.626 4.340 -0.005 0.000 0.224 1092 L C 2.968 179.529 176.870 -0.515 0.000 1.145 1092 L CA 0.666 55.356 54.840 -0.251 0.000 0.834 1092 L CB -0.490 41.478 42.059 -0.152 0.000 0.944 1092 L HN 0.445 nan 8.230 nan 0.000 0.451 1093 A N -0.512 121.832 122.820 -0.794 0.000 2.119 1093 A HA -0.071 4.247 4.320 -0.005 0.000 0.217 1093 A C 1.754 178.907 177.584 -0.718 0.000 1.153 1093 A CA 1.255 52.827 52.037 -0.776 0.000 0.692 1093 A CB -0.328 18.161 19.000 -0.851 0.000 0.799 1093 A HN 0.405 nan 8.150 nan 0.000 0.458 1094 F N -1.190 118.713 119.950 -0.079 0.000 2.592 1094 F HA 0.359 4.883 4.527 -0.004 0.000 0.280 1094 F C 0.535 176.320 175.800 -0.024 0.000 1.083 1094 F CA -0.361 57.622 58.000 -0.029 0.000 1.365 1094 F CB 0.093 39.080 39.000 -0.022 0.000 1.100 1094 F HN -0.124 nan 8.300 nan 0.000 0.633 1095 L N 2.601 123.897 121.223 0.122 0.000 2.326 1095 L HA 0.326 4.664 4.340 -0.005 0.000 0.278 1095 L C -0.111 176.793 176.870 0.058 0.000 1.092 1095 L CA -0.315 54.568 54.840 0.071 0.000 0.810 1095 L CB 0.928 43.002 42.059 0.026 0.000 1.153 1095 L HN 0.211 nan 8.230 nan 0.000 0.439 1096 Q N 2.710 122.545 119.800 0.058 0.000 2.587 1096 Q HA 0.403 4.740 4.340 -0.005 0.000 0.293 1096 Q C -0.887 175.152 176.000 0.066 0.000 1.083 1096 Q CA -1.174 54.665 55.803 0.061 0.000 0.792 1096 Q CB 1.869 30.637 28.738 0.049 0.000 1.484 1096 Q HN 0.361 nan 8.270 nan 0.000 0.446 1097 K N -0.460 119.985 120.400 0.074 0.000 2.550 1097 K HA 0.029 4.346 4.320 -0.005 0.000 0.280 1097 K C 0.614 177.244 176.600 0.050 0.000 0.987 1097 K CA 1.826 58.156 56.287 0.072 0.000 1.048 1097 K CB -0.498 32.045 32.500 0.071 0.000 0.879 1097 K HN 0.930 nan 8.250 nan 0.000 0.491 1098 G N 3.101 111.927 108.800 0.044 0.000 2.241 1098 G HA2 -0.214 3.743 3.960 -0.005 0.000 0.244 1098 G HA3 -0.214 3.743 3.960 -0.005 0.000 0.244 1098 G C -0.250 174.671 174.900 0.035 0.000 0.998 1098 G CA 0.296 45.416 45.100 0.033 0.000 0.621 1098 G HN 0.733 nan 8.290 nan 0.000 0.519 1099 D N 0.162 120.586 120.400 0.040 0.000 2.344 1099 D HA 0.551 5.188 4.640 -0.005 0.000 0.244 1099 D C 0.245 176.578 176.300 0.056 0.000 1.134 1099 D CA 0.242 54.265 54.000 0.038 0.000 0.930 1099 D CB 0.980 41.794 40.800 0.023 0.000 1.175 1099 D HN 0.454 nan 8.370 nan 0.000 0.437 1100 H N -0.063 118.950 119.070 -0.096 0.000 2.538 1100 H HA 0.536 5.089 4.556 -0.004 0.000 0.353 1100 H C -1.665 173.541 175.328 -0.202 0.000 1.109 1100 H CA -0.942 55.020 56.048 -0.143 0.000 1.192 1100 H CB 0.965 30.634 29.762 -0.153 0.000 1.555 1100 H HN 0.164 nan 8.280 nan 0.000 0.518 1101 L N 5.857 126.673 121.223 -0.678 0.000 2.341 1101 L HA 0.546 4.884 4.340 -0.005 0.000 0.278 1101 L C -1.506 174.867 176.870 -0.829 0.000 1.005 1101 L CA -0.430 54.016 54.840 -0.657 0.000 0.818 1101 L CB 1.078 42.832 42.059 -0.509 0.000 1.259 1101 L HN 0.727 nan 8.230 nan 0.000 0.418 1102 I N 5.062 125.242 120.570 -0.649 0.000 2.354 1102 I HA 0.738 4.906 4.170 -0.005 0.000 0.292 1102 I C -0.043 175.948 176.117 -0.210 0.000 0.989 1102 I CA -0.285 60.769 61.300 -0.409 0.000 1.188 1102 I CB 1.589 39.380 38.000 -0.348 0.000 1.342 1102 I HN 0.841 nan 8.210 nan 0.000 0.457 1103 A N 4.452 127.212 122.820 -0.100 0.000 2.469 1103 A HA 0.824 5.141 4.320 -0.005 0.000 0.299 1103 A C 0.006 177.664 177.584 0.124 0.000 1.098 1103 A CA -0.637 51.447 52.037 0.079 0.000 0.737 1103 A CB 1.209 20.289 19.000 0.133 0.000 1.312 1103 A HN 0.746 nan 8.150 nan 0.000 0.414 1104 G N 0.065 108.978 108.800 0.189 0.000 2.484 1104 G HA2 0.324 4.281 3.960 -0.005 0.000 0.235 1104 G HA3 0.324 4.281 3.960 -0.005 0.000 0.235 1104 G C 0.236 175.212 174.900 0.127 0.000 1.282 1104 G CA 0.533 45.716 45.100 0.138 0.000 0.857 1104 G HN 0.846 nan 8.290 nan 0.000 0.571 1105 D N -0.960 119.492 120.400 0.086 0.000 2.349 1105 D HA 0.013 4.650 4.640 -0.005 0.000 0.224 1105 D C 0.726 177.066 176.300 0.068 0.000 1.029 1105 D CA 0.295 54.337 54.000 0.071 0.000 0.879 1105 D CB 0.160 40.990 40.800 0.049 0.000 0.906 1105 D HN 0.144 nan 8.370 nan 0.000 0.528 1106 T N 0.987 115.585 114.554 0.074 0.000 2.912 1106 T HA 0.536 4.883 4.350 -0.005 0.000 0.326 1106 T C -0.345 174.408 174.700 0.088 0.000 1.080 1106 T CA -0.587 61.552 62.100 0.064 0.000 1.000 1106 T CB 0.773 69.662 68.868 0.035 0.000 1.008 1106 T HN 0.031 nan 8.240 nan 0.000 0.473 1107 L N 1.813 123.107 121.223 0.119 0.000 2.376 1107 L HA 0.552 4.889 4.340 -0.005 0.000 0.258 1107 L C -0.523 176.445 176.870 0.164 0.000 1.013 1107 L CA -1.647 53.270 54.840 0.128 0.000 0.822 1107 L CB 1.573 43.687 42.059 0.091 0.000 1.388 1107 L HN 0.489 nan 8.230 nan 0.000 0.413 1108 Y N 1.000 121.308 120.300 0.013 0.000 2.987 1108 Y HA -0.082 4.465 4.550 -0.005 0.000 0.339 1108 Y C 1.300 177.074 175.900 -0.210 0.000 1.272 1108 Y CA 0.920 58.980 58.100 -0.066 0.000 1.562 1108 Y CB 1.032 39.461 38.460 -0.053 0.000 1.253 1108 Y HN 0.718 nan 8.280 nan 0.000 0.604 1109 G N 3.494 111.571 108.800 -1.204 0.000 2.513 1109 G HA2 -0.317 3.640 3.960 -0.005 0.000 0.219 1109 G HA3 -0.317 3.640 3.960 -0.005 0.000 0.219 1109 G C 1.495 175.988 174.900 -0.678 0.000 1.160 1109 G CA 1.172 45.726 45.100 -0.910 0.000 0.767 1109 G HN 0.806 nan 8.290 nan 0.000 0.571 1110 C N 0.489 119.258 119.300 -0.885 0.000 2.446 1110 C HA 0.077 4.534 4.460 -0.005 0.000 0.279 1110 C C 3.169 178.015 174.990 -0.239 0.000 1.366 1110 C CA 1.233 60.033 59.018 -0.363 0.000 1.763 1110 C CB -0.933 26.732 27.740 -0.126 0.000 1.929 1110 C HN 0.457 nan 8.230 nan 0.000 0.509 1111 T N 1.094 115.487 114.554 -0.268 0.000 2.777 1111 T HA -0.128 4.219 4.350 -0.005 0.000 0.266 1111 T C 1.900 176.246 174.700 -0.590 0.000 1.040 1111 T CA 1.473 63.281 62.100 -0.486 0.000 1.141 1111 T CB -0.283 68.333 68.868 -0.420 0.000 0.868 1111 T HN 0.364 nan 8.240 nan 0.000 0.444 1112 V N 1.439 121.148 119.914 -0.341 0.000 2.332 1112 V HA -0.185 3.932 4.120 -0.005 0.000 0.248 1112 V C 2.731 178.752 176.094 -0.123 0.000 1.055 1112 V CA 1.968 64.159 62.300 -0.182 0.000 1.038 1112 V CB -0.880 30.869 31.823 -0.123 0.000 0.651 1112 V HN 0.510 nan 8.190 nan 0.000 0.450 1113 S N -0.137 115.476 115.700 -0.145 0.000 2.359 1113 S HA -0.213 4.254 4.470 -0.005 0.000 0.224 1113 S C 1.980 176.617 174.600 0.062 0.000 1.035 1113 S CA 2.079 60.244 58.200 -0.058 0.000 1.018 1113 S CB -0.385 62.782 63.200 -0.055 0.000 0.876 1113 S HN 0.442 nan 8.310 nan 0.000 0.448 1114 L N 0.747 122.010 121.223 0.066 0.000 2.012 1114 L HA 0.037 4.374 4.340 -0.005 0.000 0.210 1114 L C 2.047 179.103 176.870 0.310 0.000 1.073 1114 L CA 1.997 56.982 54.840 0.242 0.000 0.748 1114 L CB -0.808 41.271 42.059 0.034 0.000 0.891 1114 L HN 0.508 nan 8.230 nan 0.000 0.431 1115 F N -1.074 118.872 119.950 -0.006 0.000 2.293 1115 F HA -0.138 4.386 4.527 -0.004 0.000 0.297 1115 F C 2.294 178.057 175.800 -0.062 0.000 1.089 1115 F CA 0.852 58.818 58.000 -0.057 0.000 1.377 1115 F CB -0.337 38.596 39.000 -0.112 0.000 1.051 1115 F HN 0.322 nan 8.300 nan 0.000 0.511 1116 T N -4.279 110.353 114.554 0.131 0.000 3.040 1116 T HA -0.058 4.289 4.350 -0.005 0.000 0.252 1116 T C 1.658 176.326 174.700 -0.053 0.000 1.064 1116 T CA 0.546 62.661 62.100 0.025 0.000 1.110 1116 T CB -0.331 68.543 68.868 0.010 0.000 0.921 1116 T HN 0.314 nan 8.240 nan 0.000 0.480 1117 H N -0.752 118.198 119.070 -0.201 0.000 2.379 1117 H HA 0.130 4.683 4.556 -0.005 0.000 0.308 1117 H C 1.580 176.576 175.328 -0.553 0.000 1.047 1117 H CA 0.770 56.545 56.048 -0.453 0.000 1.371 1117 H CB 0.061 29.414 29.762 -0.681 0.000 1.449 1117 H HN 0.443 nan 8.280 nan 0.000 0.564 1118 W N 0.605 121.796 121.300 -0.181 0.000 2.480 1118 W HA -0.002 4.656 4.660 -0.004 0.000 0.299 1118 W C 2.409 178.573 176.519 -0.592 0.000 1.187 1118 W CA -0.294 56.806 57.345 -0.408 0.000 1.347 1118 W CB -0.379 29.004 29.460 -0.127 0.000 1.121 1118 W HN 0.085 nan 8.180 nan 0.000 0.533 1119 L N 0.540 121.756 121.223 -0.012 0.000 2.012 1119 L HA -0.159 4.178 4.340 -0.005 0.000 0.210 1119 L C -0.548 176.261 176.870 -0.102 0.000 1.073 1119 L CA 2.154 57.000 54.840 0.010 0.000 0.748 1119 L CB -2.174 39.923 42.059 0.064 0.000 0.891 1119 L HN -0.173 nan 8.230 nan 0.000 0.431 1120 P HA -0.140 nan 4.420 nan 0.000 0.218 1120 P C 1.379 178.567 177.300 -0.187 0.000 1.149 1120 P CA 1.255 64.272 63.100 -0.139 0.000 0.817 1120 P CB -0.029 31.581 31.700 -0.149 0.000 0.785 1121 R N -1.502 118.778 120.500 -0.366 0.000 2.189 1121 R HA -0.005 4.333 4.340 -0.005 0.000 0.223 1121 R C 1.348 177.562 176.300 -0.144 0.000 1.092 1121 R CA 0.950 56.839 56.100 -0.353 0.000 0.989 1121 R CB -0.569 29.412 30.300 -0.533 0.000 0.876 1121 R HN 0.312 nan 8.270 nan 0.000 0.457 1122 F N -0.700 119.280 119.950 0.049 0.000 2.641 1122 F HA 0.268 4.792 4.527 -0.005 0.000 0.302 1122 F C 1.320 177.139 175.800 0.033 0.000 1.098 1122 F CA -0.154 57.879 58.000 0.056 0.000 1.318 1122 F CB 1.049 40.098 39.000 0.082 0.000 1.035 1122 F HN 0.129 nan 8.300 nan 0.000 0.551 1123 G N 1.651 110.531 108.800 0.134 0.000 2.136 1123 G HA2 -0.304 3.653 3.960 -0.005 0.000 0.242 1123 G HA3 -0.304 3.653 3.960 -0.005 0.000 0.242 1123 G C 0.007 174.946 174.900 0.066 0.000 0.989 1123 G CA -0.344 44.804 45.100 0.080 0.000 0.682 1123 G HN 0.337 nan 8.290 nan 0.000 0.522 1124 I N 1.067 121.677 120.570 0.067 0.000 2.353 1124 I HA 0.337 4.504 4.170 -0.005 0.000 0.293 1124 I C 0.488 176.610 176.117 0.007 0.000 0.992 1124 I CA -0.602 60.722 61.300 0.039 0.000 1.268 1124 I CB 1.115 39.142 38.000 0.045 0.000 1.387 1124 I HN 0.119 nan 8.210 nan 0.000 0.478 1125 E N 5.252 125.469 120.200 0.028 0.000 2.283 1125 E HA 0.461 4.808 4.350 -0.005 0.000 0.278 1125 E C -1.126 175.503 176.600 0.048 0.000 1.027 1125 E CA -0.490 55.950 56.400 0.065 0.000 0.843 1125 E CB 1.886 31.660 29.700 0.123 0.000 1.062 1125 E HN 0.252 nan 8.360 nan 0.000 0.401 1126 V N 3.605 123.525 119.914 0.011 0.000 2.577 1126 V HA 0.248 4.365 4.120 -0.005 0.000 0.303 1126 V C -0.767 175.314 176.094 -0.021 0.000 1.042 1126 V CA -0.898 61.345 62.300 -0.096 0.000 0.872 1126 V CB 1.982 33.733 31.823 -0.120 0.000 0.998 1126 V HN 0.672 nan 8.190 nan 0.000 0.423 1127 D N 4.374 124.743 120.400 -0.051 0.000 2.375 1127 D HA 0.527 5.164 4.640 -0.005 0.000 0.247 1127 D C -0.709 175.578 176.300 -0.022 0.000 1.061 1127 D CA -0.300 53.707 54.000 0.011 0.000 0.834 1127 D CB 2.840 43.697 40.800 0.095 0.000 1.247 1127 D HN 0.328 nan 8.370 nan 0.000 0.489 1128 L N 3.150 124.383 121.223 0.016 0.000 2.264 1128 L HA 0.443 4.781 4.340 -0.005 0.000 0.289 1128 L C -0.217 176.676 176.870 0.038 0.000 1.044 1128 L CA -0.554 54.309 54.840 0.039 0.000 0.807 1128 L CB 0.903 42.996 42.059 0.057 0.000 1.192 1128 L HN 0.146 nan 8.230 nan 0.000 0.425 1129 I N 1.980 122.575 120.570 0.042 0.000 2.785 1129 I HA 0.208 4.376 4.170 -0.005 0.000 0.302 1129 I C -0.273 175.873 176.117 0.048 0.000 1.069 1129 I CA -0.677 60.648 61.300 0.042 0.000 1.045 1129 I CB 2.193 40.218 38.000 0.042 0.000 1.236 1129 I HN 0.482 nan 8.210 nan 0.000 0.429 1130 D N 2.711 123.136 120.400 0.043 0.000 2.383 1130 D HA 0.065 4.702 4.640 -0.005 0.000 0.245 1130 D C 1.096 177.423 176.300 0.045 0.000 1.263 1130 D CA 0.058 54.083 54.000 0.040 0.000 0.936 1130 D CB 0.570 41.388 40.800 0.030 0.000 1.053 1130 D HN 0.613 nan 8.370 nan 0.000 0.507 1131 T N -0.472 114.113 114.554 0.051 0.000 3.148 1131 T HA -0.073 4.275 4.350 -0.005 0.000 0.253 1131 T C 1.659 176.386 174.700 0.044 0.000 1.134 1131 T CA 0.392 62.524 62.100 0.052 0.000 1.051 1131 T CB -0.289 68.613 68.868 0.057 0.000 0.959 1131 T HN 0.248 nan 8.240 nan 0.000 0.525 1132 S N 0.496 116.219 115.700 0.038 0.000 2.555 1132 S HA -0.009 4.458 4.470 -0.005 0.000 0.230 1132 S C 0.442 175.056 174.600 0.022 0.000 0.978 1132 S CA 0.082 58.300 58.200 0.030 0.000 0.934 1132 S CB -0.296 62.916 63.200 0.020 0.000 0.766 1132 S HN 0.507 nan 8.310 nan 0.000 0.533 1133 D N 0.880 121.297 120.400 0.027 0.000 2.462 1133 D HA 0.249 4.886 4.640 -0.005 0.000 0.245 1133 D C 0.732 177.052 176.300 0.033 0.000 1.122 1133 D CA -0.580 53.434 54.000 0.023 0.000 0.864 1133 D CB 1.653 42.465 40.800 0.020 0.000 1.098 1133 D HN -0.069 nan 8.370 nan 0.000 0.541 1134 V N 4.512 124.442 119.914 0.028 0.000 2.453 1134 V HA -0.187 3.930 4.120 -0.005 0.000 0.252 1134 V C 1.669 177.786 176.094 0.039 0.000 1.068 1134 V CA 1.854 64.174 62.300 0.033 0.000 1.070 1134 V CB -0.083 31.746 31.823 0.011 0.000 0.664 1134 V HN 0.490 nan 8.190 nan 0.000 0.461 1135 E N 0.094 120.310 120.200 0.028 0.000 2.150 1135 E HA -0.198 4.149 4.350 -0.005 0.000 0.193 1135 E C 2.213 178.843 176.600 0.049 0.000 0.985 1135 E CA 1.251 57.668 56.400 0.028 0.000 0.814 1135 E CB -0.260 29.449 29.700 0.016 0.000 0.752 1135 E HN 0.654 nan 8.360 nan 0.000 0.466 1136 K N 0.454 120.885 120.400 0.052 0.000 2.148 1136 K HA -0.044 4.273 4.320 -0.005 0.000 0.204 1136 K C 2.222 178.881 176.600 0.098 0.000 1.050 1136 K CA 0.802 57.126 56.287 0.063 0.000 0.942 1136 K CB 0.012 32.541 32.500 0.049 0.000 0.724 1136 K HN -0.053 nan 8.250 nan 0.000 0.446 1137 V N 1.845 121.829 119.914 0.117 0.000 2.295 1137 V HA -0.258 3.860 4.120 -0.005 0.000 0.246 1137 V C 2.007 178.290 176.094 0.314 0.000 1.049 1137 V CA 1.737 64.153 62.300 0.195 0.000 1.024 1137 V CB -0.380 31.565 31.823 0.203 0.000 0.648 1137 V HN 0.273 nan 8.190 nan 0.000 0.447 1138 K N 0.420 120.950 120.400 0.216 0.000 2.097 1138 K HA -0.106 4.211 4.320 -0.005 0.000 0.206 1138 K C 2.238 178.956 176.600 0.196 0.000 1.049 1138 K CA 1.490 57.883 56.287 0.177 0.000 0.933 1138 K CB -0.422 32.091 32.500 0.023 0.000 0.717 1138 K HN 0.477 nan 8.250 nan 0.000 0.442 1139 A N 1.025 123.929 122.820 0.139 0.000 2.014 1139 A HA -0.002 4.316 4.320 -0.005 0.000 0.218 1139 A C 2.159 179.822 177.584 0.132 0.000 1.163 1139 A CA 1.530 53.633 52.037 0.109 0.000 0.652 1139 A CB -0.370 18.672 19.000 0.070 0.000 0.808 1139 A HN 0.309 nan 8.150 nan 0.000 0.449 1140 A N -2.115 120.803 122.820 0.165 0.000 2.218 1140 A HA 0.135 4.452 4.320 -0.005 0.000 0.209 1140 A C 0.762 178.464 177.584 0.196 0.000 1.168 1140 A CA -0.415 51.710 52.037 0.147 0.000 0.804 1140 A CB -0.302 18.772 19.000 0.123 0.000 0.834 1140 A HN 0.648 nan 8.150 nan 0.000 0.482 1141 W N 1.844 123.185 121.300 0.068 0.000 2.181 1141 W HA 0.314 4.971 4.660 -0.004 0.000 0.335 1141 W C -0.373 176.166 176.519 0.032 0.000 1.310 1141 W CA 0.514 57.906 57.345 0.079 0.000 1.226 1141 W CB 0.501 29.987 29.460 0.043 0.000 1.155 1141 W HN 0.118 nan 8.180 nan 0.000 0.565 1142 K N 4.412 124.891 120.400 0.132 0.000 2.444 1142 K HA 0.272 4.590 4.320 -0.005 0.000 0.252 1142 K C -1.814 174.879 176.600 0.156 0.000 0.993 1142 K CA -1.626 54.698 56.287 0.062 0.000 0.847 1142 K CB 1.636 34.010 32.500 -0.210 0.000 1.340 1142 K HN -0.002 nan 8.250 nan 0.000 0.446 1143 P HA -0.185 nan 4.420 nan 0.000 0.217 1143 P C 0.405 177.762 177.300 0.096 0.000 1.148 1143 P CA 1.369 64.535 63.100 0.110 0.000 0.828 1143 P CB 0.087 31.821 31.700 0.057 0.000 0.783 1144 N N -2.216 116.512 118.700 0.046 0.000 2.268 1144 N HA 0.004 4.741 4.740 -0.005 0.000 0.204 1144 N C -0.397 175.142 175.510 0.049 0.000 1.124 1144 N CA 0.238 53.314 53.050 0.043 0.000 0.838 1144 N CB -1.009 37.492 38.487 0.022 0.000 0.994 1144 N HN -0.086 nan 8.380 nan 0.000 0.489 1145 T N 1.760 116.325 114.554 0.019 0.000 2.817 1145 T HA 0.102 4.450 4.350 -0.005 0.000 0.295 1145 T C 0.927 175.555 174.700 -0.120 0.000 0.958 1145 T CA 0.032 62.048 62.100 -0.139 0.000 1.157 1145 T CB 1.113 69.579 68.868 -0.670 0.000 0.898 1145 T HN 0.078 nan 8.240 nan 0.000 0.536 1146 K N 2.208 122.527 120.400 -0.135 0.000 2.391 1146 K HA 0.339 4.656 4.320 -0.005 0.000 0.197 1146 K C 0.233 176.774 176.600 -0.098 0.000 1.087 1146 K CA 0.207 56.457 56.287 -0.061 0.000 1.012 1146 K CB 0.677 33.165 32.500 -0.021 0.000 0.925 1146 K HN 0.603 nan 8.250 nan 0.000 0.547 1147 M N 0.618 120.097 119.600 -0.203 0.000 2.413 1147 M HA 0.279 4.756 4.480 -0.005 0.000 0.287 1147 M C -1.842 174.303 176.300 -0.258 0.000 1.186 1147 M CA -0.633 54.561 55.300 -0.177 0.000 0.927 1147 M CB 2.257 34.779 32.600 -0.129 0.000 1.715 1147 M HN -0.302 nan 8.290 nan 0.000 0.478 1148 V N 4.013 123.837 119.914 -0.151 0.000 2.495 1148 V HA 0.468 4.585 4.120 -0.005 0.000 0.298 1148 V C -1.563 174.534 176.094 0.005 0.000 1.031 1148 V CA -0.565 61.669 62.300 -0.110 0.000 0.871 1148 V CB 1.716 33.510 31.823 -0.048 0.000 0.988 1148 V HN 0.770 nan 8.190 nan 0.000 0.432 1149 Y N 5.852 126.101 120.300 -0.085 0.000 2.328 1149 Y HA 0.764 5.311 4.550 -0.005 0.000 0.336 1149 Y C -0.907 175.026 175.900 0.054 0.000 0.960 1149 Y CA -0.739 57.367 58.100 0.011 0.000 1.134 1149 Y CB 1.346 39.848 38.460 0.070 0.000 1.166 1149 Y HN 0.531 nan 8.280 nan 0.000 0.464 1150 L N 5.478 126.534 121.223 -0.278 0.000 2.381 1150 L HA 0.568 4.905 4.340 -0.005 0.000 0.268 1150 L C -0.860 175.870 176.870 -0.234 0.000 0.997 1150 L CA -0.957 53.805 54.840 -0.129 0.000 0.818 1150 L CB 2.398 44.409 42.059 -0.080 0.000 1.310 1150 L HN 0.562 nan 8.230 nan 0.000 0.416 1151 E N 1.331 121.501 120.200 -0.049 0.000 2.165 1151 E HA 0.519 4.867 4.350 -0.005 0.000 0.266 1151 E C -1.317 175.271 176.600 -0.019 0.000 0.889 1151 E CA -0.245 56.127 56.400 -0.047 0.000 0.756 1151 E CB 2.181 31.885 29.700 0.008 0.000 1.131 1151 E HN 0.437 nan 8.360 nan 0.000 0.411 1152 S N 4.089 119.784 115.700 -0.009 0.000 2.614 1152 S HA 0.464 4.932 4.470 -0.005 0.000 0.275 1152 S C -2.815 171.837 174.600 0.086 0.000 1.161 1152 S CA -1.471 56.753 58.200 0.040 0.000 0.969 1152 S CB 1.157 64.383 63.200 0.044 0.000 1.059 1152 S HN 0.188 nan 8.310 nan 0.000 0.482 1153 P HA 0.339 nan 4.420 nan 0.000 0.271 1153 P C -0.905 176.381 177.300 -0.024 0.000 1.218 1153 P CA -0.239 62.938 63.100 0.128 0.000 0.780 1153 P CB 0.544 32.370 31.700 0.210 0.000 0.901 1154 A N 2.602 125.391 122.820 -0.051 0.000 2.351 1154 A HA 0.259 4.576 4.320 -0.005 0.000 0.257 1154 A C 0.365 177.699 177.584 -0.417 0.000 1.087 1154 A CA -0.181 51.758 52.037 -0.164 0.000 0.798 1154 A CB -0.209 18.773 19.000 -0.030 0.000 1.033 1154 A HN 0.559 nan 8.150 nan 0.000 0.488 1155 N N 1.671 120.062 118.700 -0.515 0.000 2.414 1155 N HA 0.388 5.125 4.740 -0.005 0.000 0.256 1155 N C -2.219 173.243 175.510 -0.080 0.000 1.029 1155 N CA -2.109 50.624 53.050 -0.529 0.000 0.948 1155 N CB 1.492 39.737 38.487 -0.404 0.000 1.102 1155 N HN 0.282 nan 8.380 nan 0.000 0.496 1156 P HA 0.149 nan 4.420 nan 0.000 0.291 1156 P C 0.500 177.835 177.300 0.057 0.000 1.341 1156 P CA 0.211 63.312 63.100 0.001 0.000 0.999 1156 P CB 0.293 31.975 31.700 -0.030 0.000 1.501 1157 T N -4.293 110.265 114.554 0.006 0.000 3.113 1157 T HA 0.020 4.368 4.350 -0.005 0.000 0.256 1157 T C 1.060 175.877 174.700 0.194 0.000 1.131 1157 T CA 0.423 62.581 62.100 0.096 0.000 1.074 1157 T CB -1.526 67.387 68.868 0.075 0.000 0.944 1157 T HN 0.050 nan 8.240 nan 0.000 0.516 1158 C N 0.731 120.122 119.300 0.151 0.000 4.400 1158 C HA -0.139 4.318 4.460 -0.005 0.000 0.275 1158 C C 0.729 175.906 174.990 0.312 0.000 1.391 1158 C CA 0.272 59.392 59.018 0.171 0.000 1.816 1158 C CB -2.594 25.145 27.740 -0.002 0.000 1.404 1158 C HN 0.828 nan 8.230 nan 0.000 0.754 1159 K N 0.871 121.443 120.400 0.286 0.000 2.511 1159 K HA 0.238 4.555 4.320 -0.005 0.000 0.280 1159 K C 0.088 176.814 176.600 0.210 0.000 1.008 1159 K CA 0.360 56.802 56.287 0.258 0.000 1.050 1159 K CB 0.479 33.054 32.500 0.126 0.000 0.889 1159 K HN 0.325 nan 8.250 nan 0.000 0.484 1160 V N 4.023 124.073 119.914 0.227 0.000 2.465 1160 V HA 0.151 4.268 4.120 -0.005 0.000 0.279 1160 V C -0.102 176.050 176.094 0.098 0.000 1.045 1160 V CA -0.482 61.923 62.300 0.174 0.000 0.938 1160 V CB 1.580 33.533 31.823 0.217 0.000 0.986 1160 V HN 0.812 nan 8.190 nan 0.000 0.467 1161 S N 2.349 118.094 115.700 0.076 0.000 2.608 1161 S HA 0.306 4.773 4.470 -0.005 0.000 0.291 1161 S C -0.300 174.324 174.600 0.041 0.000 1.146 1161 S CA -0.537 57.693 58.200 0.050 0.000 1.043 1161 S CB 1.407 64.631 63.200 0.040 0.000 1.037 1161 S HN 0.854 nan 8.310 nan 0.000 0.520 1162 D N 1.653 122.071 120.400 0.029 0.000 2.453 1162 D HA 0.220 4.857 4.640 -0.005 0.000 0.223 1162 D C 0.868 177.173 176.300 0.008 0.000 1.183 1162 D CA -0.198 53.813 54.000 0.018 0.000 0.933 1162 D CB -0.221 40.586 40.800 0.012 0.000 1.038 1162 D HN 0.421 nan 8.370 nan 0.000 0.513 1163 I N 2.609 123.183 120.570 0.007 0.000 2.179 1163 I HA -0.257 3.910 4.170 -0.005 0.000 0.242 1163 I C 2.357 178.462 176.117 -0.020 0.000 1.088 1163 I CA 0.901 62.198 61.300 -0.006 0.000 1.357 1163 I CB 0.057 38.056 38.000 -0.003 0.000 1.051 1163 I HN 0.284 nan 8.210 nan 0.000 0.409 1164 K N 0.613 121.006 120.400 -0.012 0.000 2.026 1164 K HA -0.129 4.188 4.320 -0.005 0.000 0.208 1164 K C 2.185 178.759 176.600 -0.043 0.000 1.048 1164 K CA 1.527 57.802 56.287 -0.020 0.000 0.929 1164 K CB -0.540 31.957 32.500 -0.004 0.000 0.713 1164 K HN 0.441 nan 8.250 nan 0.000 0.439 1165 G N 1.282 110.063 108.800 -0.031 0.000 2.440 1165 G HA2 -0.239 3.718 3.960 -0.005 0.000 0.218 1165 G HA3 -0.239 3.718 3.960 -0.005 0.000 0.218 1165 G C 1.491 176.357 174.900 -0.057 0.000 1.154 1165 G CA 0.763 45.839 45.100 -0.039 0.000 0.767 1165 G HN 0.159 nan 8.290 nan 0.000 0.552 1166 I N 1.241 121.788 120.570 -0.038 0.000 2.353 1166 I HA -0.094 4.074 4.170 -0.005 0.000 0.248 1166 I C 3.248 179.312 176.117 -0.089 0.000 1.119 1166 I CA 0.745 62.034 61.300 -0.019 0.000 1.417 1166 I CB -0.120 37.896 38.000 0.027 0.000 1.078 1166 I HN 0.239 nan 8.210 nan 0.000 0.421 1167 A N 0.517 123.238 122.820 -0.165 0.000 1.908 1167 A HA -0.173 4.144 4.320 -0.005 0.000 0.218 1167 A C 2.425 179.581 177.584 -0.714 0.000 1.181 1167 A CA 1.795 53.586 52.037 -0.410 0.000 0.627 1167 A CB -0.982 17.829 19.000 -0.315 0.000 0.818 1167 A HN 0.238 nan 8.150 nan 0.000 0.445 1168 V N -0.232 119.460 119.914 -0.369 0.000 2.282 1168 V HA -0.283 3.834 4.120 -0.005 0.000 0.249 1168 V C 2.586 178.550 176.094 -0.216 0.000 1.057 1168 V CA 2.218 64.380 62.300 -0.230 0.000 1.032 1168 V CB -0.939 30.823 31.823 -0.103 0.000 0.645 1168 V HN 0.404 nan 8.190 nan 0.000 0.447 1169 V N -1.055 118.722 119.914 -0.228 0.000 2.295 1169 V HA -0.282 3.835 4.120 -0.005 0.000 0.246 1169 V C 2.548 178.455 176.094 -0.312 0.000 1.049 1169 V CA 2.127 64.223 62.300 -0.340 0.000 1.024 1169 V CB -0.947 30.617 31.823 -0.431 0.000 0.648 1169 V HN 0.645 nan 8.190 nan 0.000 0.447 1170 C N -0.031 119.216 119.300 -0.088 0.000 2.398 1170 C HA -0.217 4.240 4.460 -0.005 0.000 0.276 1170 C C 2.574 177.635 174.990 0.118 0.000 1.222 1170 C CA 1.444 60.554 59.018 0.153 0.000 1.746 1170 C CB -1.485 26.331 27.740 0.126 0.000 2.039 1170 C HN 0.665 nan 8.230 nan 0.000 0.470 1171 H N 0.144 119.223 119.070 0.015 0.000 2.389 1171 H HA -0.110 4.443 4.556 -0.005 0.000 0.299 1171 H C 2.207 177.522 175.328 -0.022 0.000 1.081 1171 H CA 1.224 57.271 56.048 -0.002 0.000 1.345 1171 H CB -0.108 29.646 29.762 -0.014 0.000 1.393 1171 H HN 0.607 nan 8.280 nan 0.000 0.520 1172 E N 0.648 120.877 120.200 0.049 0.000 2.204 1172 E HA -0.090 4.257 4.350 -0.005 0.000 0.194 1172 E C 1.510 178.089 176.600 -0.035 0.000 0.989 1172 E CA 0.623 57.010 56.400 -0.023 0.000 0.824 1172 E CB 0.189 29.832 29.700 -0.096 0.000 0.756 1172 E HN 0.444 nan 8.360 nan 0.000 0.477 1173 R N -0.883 119.601 120.500 -0.026 0.000 2.437 1173 R HA 0.170 4.507 4.340 -0.005 0.000 0.257 1173 R C 0.585 176.983 176.300 0.162 0.000 0.927 1173 R CA 0.417 56.533 56.100 0.027 0.000 1.078 1173 R CB 1.279 31.508 30.300 -0.119 0.000 1.161 1173 R HN 0.139 nan 8.270 nan 0.000 0.529 1174 G N 1.256 110.142 108.800 0.143 0.000 2.182 1174 G HA2 -0.267 3.691 3.960 -0.005 0.000 0.248 1174 G HA3 -0.267 3.691 3.960 -0.005 0.000 0.248 1174 G C -0.099 174.892 174.900 0.152 0.000 1.042 1174 G CA 0.163 45.339 45.100 0.128 0.000 0.775 1174 G HN 0.459 nan 8.290 nan 0.000 0.501 1175 A N -0.149 122.800 122.820 0.215 0.000 2.337 1175 A HA 0.861 5.178 4.320 -0.005 0.000 0.329 1175 A C 0.567 178.205 177.584 0.091 0.000 1.146 1175 A CA -0.632 51.503 52.037 0.164 0.000 0.800 1175 A CB 0.882 20.048 19.000 0.277 0.000 1.220 1175 A HN 0.447 nan 8.150 nan 0.000 0.472 1176 R N 0.401 120.894 120.500 -0.011 0.000 2.490 1176 R HA 0.309 4.647 4.340 -0.005 0.000 0.280 1176 R C -0.986 175.295 176.300 -0.030 0.000 1.077 1176 R CA -0.427 55.634 56.100 -0.064 0.000 1.065 1176 R CB 0.737 30.904 30.300 -0.221 0.000 1.003 1176 R HN 0.545 nan 8.270 nan 0.000 0.470 1177 L N 3.919 125.136 121.223 -0.010 0.000 2.287 1177 L HA 0.349 4.687 4.340 -0.005 0.000 0.287 1177 L C -1.107 175.737 176.870 -0.044 0.000 1.022 1177 L CA -0.415 54.416 54.840 -0.015 0.000 0.814 1177 L CB 1.798 43.857 42.059 0.000 0.000 1.217 1177 L HN 0.257 nan 8.230 nan 0.000 0.420 1178 V N 5.894 125.769 119.914 -0.066 0.000 2.448 1178 V HA 0.599 4.716 4.120 -0.005 0.000 0.295 1178 V C -0.489 175.436 176.094 -0.282 0.000 1.025 1178 V CA -0.654 61.584 62.300 -0.103 0.000 0.859 1178 V CB 1.872 33.714 31.823 0.031 0.000 0.988 1178 V HN 0.522 nan 8.190 nan 0.000 0.431 1179 V N 3.254 123.015 119.914 -0.254 0.000 2.487 1179 V HA 0.398 4.515 4.120 -0.005 0.000 0.298 1179 V C -0.515 175.391 176.094 -0.313 0.000 1.028 1179 V CA -0.616 61.504 62.300 -0.300 0.000 0.860 1179 V CB 2.002 33.729 31.823 -0.159 0.000 0.991 1179 V HN 0.890 nan 8.190 nan 0.000 0.427 1180 D N 4.174 124.348 120.400 -0.378 0.000 2.365 1180 D HA 0.432 5.070 4.640 -0.005 0.000 0.237 1180 D C 0.549 176.742 176.300 -0.178 0.000 1.190 1180 D CA -0.149 53.709 54.000 -0.237 0.000 0.867 1180 D CB 1.791 42.520 40.800 -0.118 0.000 1.050 1180 D HN 0.650 nan 8.370 nan 0.000 0.491 1181 A N 3.230 125.879 122.820 -0.285 0.000 2.460 1181 A HA 0.112 4.429 4.320 -0.005 0.000 0.258 1181 A C 1.853 179.488 177.584 0.085 0.000 1.300 1181 A CA -0.182 51.779 52.037 -0.127 0.000 0.913 1181 A CB -0.081 18.851 19.000 -0.114 0.000 1.031 1181 A HN 0.561 nan 8.150 nan 0.000 0.512 1182 T N -0.078 114.544 114.554 0.113 0.000 2.649 1182 T HA -0.229 4.118 4.350 -0.005 0.000 0.268 1182 T C 1.346 176.337 174.700 0.485 0.000 1.036 1182 T CA 2.018 64.332 62.100 0.357 0.000 1.157 1182 T CB -0.433 68.579 68.868 0.240 0.000 0.861 1182 T HN 0.472 nan 8.240 nan 0.000 0.445 1183 F N 1.297 121.366 119.950 0.199 0.000 2.451 1183 F HA -0.012 4.512 4.527 -0.005 0.000 0.299 1183 F C 2.423 178.341 175.800 0.197 0.000 1.101 1183 F CA 0.754 58.899 58.000 0.242 0.000 1.436 1183 F CB -0.378 38.718 39.000 0.161 0.000 1.074 1183 F HN 0.163 nan 8.300 nan 0.000 0.553 1184 T N -1.910 112.812 114.554 0.280 0.000 2.978 1184 T HA 0.162 4.509 4.350 -0.005 0.000 0.248 1184 T C 0.328 175.041 174.700 0.022 0.000 1.018 1184 T CA 0.711 62.892 62.100 0.136 0.000 1.026 1184 T CB -0.094 68.890 68.868 0.193 0.000 1.032 1184 T HN 0.247 nan 8.240 nan 0.000 0.485 1185 S N 1.475 117.243 115.700 0.112 0.000 3.461 1185 S HA -0.071 4.397 4.470 -0.005 0.000 0.820 1185 S C -2.682 171.933 174.600 0.024 0.000 1.142 1185 S CA -0.106 58.105 58.200 0.018 0.000 1.078 1185 S CB -1.116 61.953 63.200 -0.217 0.000 0.674 1185 S HN 0.168 nan 8.310 nan 0.000 0.333 1186 P HA 0.181 nan 4.420 nan 0.000 0.237 1186 P C 1.475 178.710 177.300 -0.110 0.000 1.178 1186 P CA 0.921 64.004 63.100 -0.029 0.000 0.766 1186 P CB -0.580 31.060 31.700 -0.100 0.000 0.876 1187 C N -1.615 117.524 119.300 -0.268 0.000 2.435 1187 C HA 0.017 4.474 4.460 -0.005 0.000 0.279 1187 C C 2.327 177.154 174.990 -0.271 0.000 1.321 1187 C CA 0.760 59.529 59.018 -0.415 0.000 1.752 1187 C CB -1.885 25.334 27.740 -0.868 0.000 1.959 1187 C HN 0.211 nan 8.230 nan 0.000 0.500 1188 F N -1.677 118.242 119.950 -0.051 0.000 2.740 1188 F HA 0.357 4.881 4.527 -0.004 0.000 0.304 1188 F C 0.327 176.093 175.800 -0.057 0.000 1.098 1188 F CA -0.430 57.524 58.000 -0.077 0.000 1.258 1188 F CB 0.436 39.363 39.000 -0.122 0.000 1.061 1188 F HN -0.016 nan 8.300 nan 0.000 0.598 1189 L N 1.365 122.682 121.223 0.156 0.000 2.406 1189 L HA 0.438 4.775 4.340 -0.005 0.000 0.272 1189 L C -1.056 175.869 176.870 0.092 0.000 0.980 1189 L CA -0.668 54.236 54.840 0.107 0.000 0.831 1189 L CB 1.494 43.620 42.059 0.111 0.000 1.253 1189 L HN -0.089 nan 8.230 nan 0.000 0.406 1190 K N 6.570 127.008 120.400 0.063 0.000 2.540 1190 K HA 0.399 4.716 4.320 -0.005 0.000 0.218 1190 K C -2.085 174.539 176.600 0.040 0.000 1.017 1190 K CA -1.457 54.863 56.287 0.055 0.000 1.029 1190 K CB 1.434 33.957 32.500 0.039 0.000 1.348 1190 K HN 0.354 nan 8.250 nan 0.000 0.508 1191 P HA -0.157 nan 4.420 nan 0.000 0.218 1191 P C 0.863 178.177 177.300 0.023 0.000 1.148 1191 P CA 1.026 64.135 63.100 0.016 0.000 0.822 1191 P CB 0.227 31.919 31.700 -0.012 0.000 0.784 1192 L N -0.506 120.733 121.223 0.027 0.000 2.191 1192 L HA -0.148 4.189 4.340 -0.005 0.000 0.212 1192 L C 2.057 178.944 176.870 0.029 0.000 1.103 1192 L CA 1.403 56.260 54.840 0.028 0.000 0.769 1192 L CB -0.989 41.084 42.059 0.023 0.000 0.908 1192 L HN 0.084 nan 8.230 nan 0.000 0.438 1193 E N 0.231 120.447 120.200 0.027 0.000 2.358 1193 E HA -0.059 4.288 4.350 -0.005 0.000 0.195 1193 E C 1.953 178.572 176.600 0.032 0.000 1.010 1193 E CA 0.581 56.996 56.400 0.025 0.000 0.856 1193 E CB 0.136 29.849 29.700 0.021 0.000 0.795 1193 E HN 0.538 nan 8.360 nan 0.000 0.504 1194 L N -0.792 120.452 121.223 0.036 0.000 2.607 1194 L HA 0.226 4.564 4.340 -0.005 0.000 0.228 1194 L C 1.329 178.236 176.870 0.061 0.000 1.123 1194 L CA 0.367 55.228 54.840 0.037 0.000 0.890 1194 L CB 0.534 42.606 42.059 0.022 0.000 1.103 1194 L HN 0.265 nan 8.230 nan 0.000 0.468 1195 G N -0.258 108.600 108.800 0.097 0.000 2.192 1195 G HA2 -0.187 3.771 3.960 -0.005 0.000 0.193 1195 G HA3 -0.187 3.771 3.960 -0.005 0.000 0.193 1195 G C 0.411 175.440 174.900 0.215 0.000 0.999 1195 G CA -0.178 45.052 45.100 0.217 0.000 0.659 1195 G HN 0.385 nan 8.290 nan 0.000 0.503 1196 A N 0.354 123.228 122.820 0.090 0.000 2.425 1196 A HA 0.531 4.848 4.320 -0.005 0.000 0.242 1196 A C 1.132 178.751 177.584 0.057 0.000 1.077 1196 A CA 0.934 53.003 52.037 0.054 0.000 0.781 1196 A CB 0.289 19.290 19.000 0.000 0.000 1.020 1196 A HN 0.211 nan 8.150 nan 0.000 0.494 1197 D N 0.119 120.535 120.400 0.028 0.000 2.271 1197 D HA 0.154 4.792 4.640 -0.005 0.000 0.206 1197 D C 0.002 176.291 176.300 -0.018 0.000 0.967 1197 D CA 1.252 55.247 54.000 -0.009 0.000 0.867 1197 D CB 0.280 41.047 40.800 -0.055 0.000 0.960 1197 D HN 0.489 nan 8.370 nan 0.000 0.509 1198 I N 0.492 121.052 120.570 -0.018 0.000 2.569 1198 I HA 0.382 4.550 4.170 -0.005 0.000 0.290 1198 I C -1.079 175.033 176.117 -0.008 0.000 1.088 1198 I CA -0.811 60.494 61.300 0.008 0.000 1.047 1198 I CB 2.488 40.503 38.000 0.024 0.000 1.237 1198 I HN -0.234 nan 8.210 nan 0.000 0.421 1199 A N 6.945 129.773 122.820 0.012 0.000 2.331 1199 A HA 0.923 5.241 4.320 -0.005 0.000 0.320 1199 A C -1.035 176.538 177.584 -0.019 0.000 1.138 1199 A CA -0.422 51.598 52.037 -0.029 0.000 0.790 1199 A CB 1.164 20.173 19.000 0.016 0.000 1.206 1199 A HN 0.608 nan 8.150 nan 0.000 0.470 1200 L N -0.197 120.939 121.223 -0.144 0.000 2.359 1200 L HA 0.835 5.173 4.340 -0.005 0.000 0.256 1200 L C -0.675 175.989 176.870 -0.342 0.000 1.026 1200 L CA -0.531 54.267 54.840 -0.069 0.000 0.828 1200 L CB 1.684 43.765 42.059 0.035 0.000 1.406 1200 L HN 0.653 nan 8.230 nan 0.000 0.413 1201 H N -0.581 118.557 119.070 0.113 0.000 2.930 1201 H HA 0.339 4.892 4.556 -0.005 0.000 0.371 1201 H C -1.158 174.237 175.328 0.113 0.000 1.169 1201 H CA -0.774 55.343 56.048 0.114 0.000 1.157 1201 H CB 2.327 32.168 29.762 0.131 0.000 1.789 1201 H HN 0.798 nan 8.280 nan 0.000 0.547 1202 S N 1.602 117.417 115.700 0.192 0.000 2.443 1202 S HA 0.074 4.541 4.470 -0.005 0.000 0.284 1202 S C 1.252 175.954 174.600 0.170 0.000 1.206 1202 S CA -0.534 57.743 58.200 0.128 0.000 1.074 1202 S CB -0.108 63.099 63.200 0.011 0.000 0.963 1202 S HN 0.417 nan 8.310 nan 0.000 0.501 1203 V N 5.443 125.463 119.914 0.177 0.000 2.809 1203 V HA -0.087 4.030 4.120 -0.005 0.000 0.256 1203 V C 2.275 178.410 176.094 0.069 0.000 1.080 1203 V CA 1.757 64.149 62.300 0.153 0.000 1.102 1203 V CB -0.758 31.172 31.823 0.179 0.000 0.705 1203 V HN 0.897 nan 8.190 nan 0.000 0.475 1204 S N -0.294 115.431 115.700 0.041 0.000 2.440 1204 S HA -0.153 4.314 4.470 -0.005 0.000 0.240 1204 S C 1.525 176.107 174.600 -0.029 0.000 1.014 1204 S CA 1.135 59.337 58.200 0.002 0.000 0.980 1204 S CB -0.119 63.077 63.200 -0.007 0.000 0.775 1204 S HN 0.542 nan 8.310 nan 0.000 0.499 1205 K N 0.653 121.034 120.400 -0.031 0.000 4.047 1205 K HA 0.295 4.612 4.320 -0.005 0.000 0.172 1205 K C 1.501 178.008 176.600 -0.154 0.000 1.146 1205 K CA 0.089 56.287 56.287 -0.149 0.000 1.760 1205 K CB -1.174 31.237 32.500 -0.148 0.000 2.442 1205 K HN 0.160 nan 8.250 nan 0.000 0.539 1206 Y N 1.483 121.766 120.300 -0.027 0.000 2.181 1206 Y HA -0.085 4.462 4.550 -0.004 0.000 0.288 1206 Y C 2.449 178.348 175.900 -0.002 0.000 1.146 1206 Y CA 1.112 59.184 58.100 -0.046 0.000 1.164 1206 Y CB -0.763 37.650 38.460 -0.079 0.000 0.982 1206 Y HN 0.176 nan 8.280 nan 0.000 0.515 1207 I N -0.043 120.621 120.570 0.156 0.000 2.127 1207 I HA -0.376 3.791 4.170 -0.005 0.000 0.241 1207 I C 2.336 178.529 176.117 0.128 0.000 1.075 1207 I CA 2.062 63.427 61.300 0.110 0.000 1.334 1207 I CB -0.410 37.644 38.000 0.090 0.000 1.040 1207 I HN 0.250 nan 8.210 nan 0.000 0.405 1208 N N 0.363 119.124 118.700 0.101 0.000 2.106 1208 N HA -0.113 4.625 4.740 -0.005 0.000 0.188 1208 N C 1.470 177.101 175.510 0.201 0.000 1.029 1208 N CA 2.011 55.115 53.050 0.092 0.000 0.848 1208 N CB -0.074 38.428 38.487 0.025 0.000 1.007 1208 N HN 0.398 nan 8.380 nan 0.000 0.423 1209 G N -1.641 107.227 108.800 0.113 0.000 2.205 1209 G HA2 -0.301 3.656 3.960 -0.005 0.000 0.261 1209 G HA3 -0.301 3.656 3.960 -0.005 0.000 0.261 1209 G C 0.470 175.310 174.900 -0.101 0.000 0.980 1209 G CA 0.929 46.052 45.100 0.038 0.000 0.632 1209 G HN 0.608 nan 8.290 nan 0.000 0.533 1210 H N -0.487 118.581 119.070 -0.003 0.000 2.784 1210 H HA 0.453 5.007 4.556 -0.004 0.000 0.273 1210 H C 1.857 177.179 175.328 -0.011 0.000 1.112 1210 H CA 0.619 56.665 56.048 -0.002 0.000 1.162 1210 H CB 0.634 30.392 29.762 -0.007 0.000 1.586 1210 H HN 1.210 nan 8.280 nan 0.000 0.548 1211 G N 1.865 110.694 108.800 0.048 0.000 2.198 1211 G HA2 -0.315 3.642 3.960 -0.005 0.000 0.260 1211 G HA3 -0.315 3.642 3.960 -0.005 0.000 0.260 1211 G C 0.297 175.214 174.900 0.028 0.000 1.025 1211 G CA 0.864 45.973 45.100 0.014 0.000 0.769 1211 G HN 0.609 nan 8.290 nan 0.000 0.507 1212 D N -1.752 118.672 120.400 0.040 0.000 2.556 1212 D HA 0.386 5.023 4.640 -0.005 0.000 0.237 1212 D C 0.283 176.592 176.300 0.014 0.000 1.296 1212 D CA 0.040 54.058 54.000 0.030 0.000 0.807 1212 D CB 0.521 41.345 40.800 0.040 0.000 1.084 1212 D HN 0.496 nan 8.370 nan 0.000 0.510 1213 V N 1.003 120.919 119.914 0.005 0.000 2.888 1213 V HA 0.375 4.492 4.120 -0.005 0.000 0.309 1213 V C -0.866 175.224 176.094 -0.007 0.000 1.114 1213 V CA -0.879 61.415 62.300 -0.010 0.000 0.940 1213 V CB 2.632 34.431 31.823 -0.040 0.000 1.021 1213 V HN 0.038 nan 8.190 nan 0.000 0.426 1214 I N 3.183 123.753 120.570 -0.000 0.000 2.336 1214 I HA 0.835 5.003 4.170 -0.005 0.000 0.292 1214 I C 0.621 176.748 176.117 0.017 0.000 0.991 1214 I CA 0.255 61.562 61.300 0.011 0.000 1.227 1214 I CB 1.111 39.124 38.000 0.021 0.000 1.366 1214 I HN 0.844 nan 8.210 nan 0.000 0.466 1215 G N 3.426 112.247 108.800 0.034 0.000 2.576 1215 G HA2 0.687 4.645 3.960 -0.005 0.000 0.290 1215 G HA3 0.687 4.645 3.960 -0.005 0.000 0.290 1215 G C -1.278 173.703 174.900 0.134 0.000 1.442 1215 G CA -0.528 44.613 45.100 0.068 0.000 0.792 1215 G HN 0.827 nan 8.290 nan 0.000 0.491 1216 G N -1.933 107.008 108.800 0.235 0.000 2.642 1216 G HA2 0.828 4.785 3.960 -0.005 0.000 0.293 1216 G HA3 0.828 4.785 3.960 -0.005 0.000 0.293 1216 G C -1.740 173.443 174.900 0.471 0.000 1.341 1216 G CA -0.527 44.760 45.100 0.311 0.000 0.916 1216 G HN 1.591 nan 8.290 nan 0.000 0.474 1217 V N -0.544 119.645 119.914 0.458 0.000 2.932 1217 V HA 0.828 4.945 4.120 -0.005 0.000 0.307 1217 V C -0.973 175.368 176.094 0.412 0.000 1.147 1217 V CA -0.500 62.086 62.300 0.476 0.000 0.951 1217 V CB 2.230 34.271 31.823 0.365 0.000 1.031 1217 V HN 1.100 nan 8.190 nan 0.000 0.426 1218 S N 3.551 119.516 115.700 0.441 0.000 2.538 1218 S HA 0.839 5.307 4.470 -0.005 0.000 0.288 1218 S C -0.903 173.839 174.600 0.237 0.000 1.108 1218 S CA -0.348 58.041 58.200 0.316 0.000 0.971 1218 S CB 1.885 65.294 63.200 0.349 0.000 1.041 1218 S HN 0.923 nan 8.310 nan 0.000 0.483 1219 S N 2.361 118.160 115.700 0.166 0.000 2.521 1219 S HA 0.839 5.306 4.470 -0.005 0.000 0.295 1219 S C -0.674 173.985 174.600 0.097 0.000 1.098 1219 S CA -0.643 57.625 58.200 0.114 0.000 0.999 1219 S CB 1.633 64.882 63.200 0.082 0.000 1.034 1219 S HN 1.003 nan 8.310 nan 0.000 0.483 1220 A N 1.787 124.661 122.820 0.089 0.000 2.355 1220 A HA 0.606 4.924 4.320 -0.005 0.000 0.324 1220 A C 0.869 178.478 177.584 0.043 0.000 1.117 1220 A CA -0.757 51.324 52.037 0.073 0.000 0.785 1220 A CB 1.023 20.088 19.000 0.109 0.000 1.254 1220 A HN 0.870 nan 8.150 nan 0.000 0.453 1221 K N 0.363 120.777 120.400 0.023 0.000 2.147 1221 K HA -0.072 4.245 4.320 -0.005 0.000 0.205 1221 K C 0.704 177.308 176.600 0.007 0.000 1.049 1221 K CA 1.803 58.095 56.287 0.008 0.000 0.936 1221 K CB -0.080 32.416 32.500 -0.006 0.000 0.722 1221 K HN 0.857 nan 8.250 nan 0.000 0.446 1222 T N -3.974 110.589 114.554 0.015 0.000 2.912 1222 T HA 0.553 4.900 4.350 -0.005 0.000 0.288 1222 T C 0.890 175.614 174.700 0.039 0.000 1.030 1222 T CA -0.487 61.624 62.100 0.018 0.000 1.020 1222 T CB 1.898 70.772 68.868 0.011 0.000 1.056 1222 T HN 0.044 nan 8.240 nan 0.000 0.480 1223 A N 0.947 123.785 122.820 0.030 0.000 1.940 1223 A HA -0.071 4.247 4.320 -0.005 0.000 0.219 1223 A C 2.186 179.803 177.584 0.056 0.000 1.176 1223 A CA 1.940 53.999 52.037 0.036 0.000 0.631 1223 A CB -1.072 17.940 19.000 0.020 0.000 0.814 1223 A HN 1.031 nan 8.150 nan 0.000 0.446 1224 E N -0.382 119.851 120.200 0.055 0.000 2.077 1224 E HA -0.240 4.107 4.350 -0.005 0.000 0.193 1224 E C 1.307 177.988 176.600 0.135 0.000 0.989 1224 E CA 1.436 57.881 56.400 0.074 0.000 0.800 1224 E CB -0.097 29.639 29.700 0.059 0.000 0.746 1224 E HN 0.539 nan 8.360 nan 0.000 0.452 1225 D N 0.235 120.729 120.400 0.157 0.000 2.117 1225 D HA -0.133 4.504 4.640 -0.005 0.000 0.198 1225 D C 1.863 178.344 176.300 0.303 0.000 0.982 1225 D CA 0.582 54.755 54.000 0.289 0.000 0.828 1225 D CB -0.169 40.728 40.800 0.163 0.000 0.967 1225 D HN 0.205 nan 8.370 nan 0.000 0.464 1226 I N 0.791 121.474 120.570 0.188 0.000 2.394 1226 I HA -0.140 4.027 4.170 -0.005 0.000 0.251 1226 I C 1.991 178.201 176.117 0.156 0.000 1.136 1226 I CA 0.749 62.153 61.300 0.173 0.000 1.425 1226 I CB -0.322 37.746 38.000 0.114 0.000 1.079 1226 I HN -0.079 nan 8.210 nan 0.000 0.425 1227 A N -0.861 122.037 122.820 0.130 0.000 1.902 1227 A HA -0.206 4.112 4.320 -0.005 0.000 0.217 1227 A C 2.350 180.027 177.584 0.154 0.000 1.181 1227 A CA 2.415 54.524 52.037 0.121 0.000 0.623 1227 A CB -1.325 17.725 19.000 0.083 0.000 0.818 1227 A HN 0.443 nan 8.150 nan 0.000 0.443 1228 T N 0.185 114.820 114.554 0.135 0.000 2.777 1228 T HA -0.060 4.288 4.350 -0.005 0.000 0.266 1228 T C 1.784 176.531 174.700 0.079 0.000 1.040 1228 T CA 1.425 63.566 62.100 0.068 0.000 1.141 1228 T CB -0.383 68.475 68.868 -0.017 0.000 0.868 1228 T HN 0.416 nan 8.240 nan 0.000 0.444 1229 I N 0.779 121.414 120.570 0.109 0.000 2.179 1229 I HA -0.196 3.971 4.170 -0.005 0.000 0.242 1229 I C 2.511 178.796 176.117 0.281 0.000 1.088 1229 I CA 1.415 62.824 61.300 0.181 0.000 1.357 1229 I CB -0.242 37.934 38.000 0.292 0.000 1.051 1229 I HN 0.179 nan 8.210 nan 0.000 0.409 1230 K N -0.089 120.443 120.400 0.220 0.000 2.148 1230 K HA -0.183 4.134 4.320 -0.005 0.000 0.204 1230 K C 2.105 178.807 176.600 0.170 0.000 1.050 1230 K CA 1.381 57.762 56.287 0.157 0.000 0.942 1230 K CB -0.248 32.307 32.500 0.093 0.000 0.724 1230 K HN 0.178 nan 8.250 nan 0.000 0.446 1231 F N 0.578 120.573 119.950 0.076 0.000 2.134 1231 F HA -0.257 4.267 4.527 -0.004 0.000 0.299 1231 F C 2.283 178.127 175.800 0.074 0.000 1.097 1231 F CA 1.324 59.359 58.000 0.058 0.000 1.264 1231 F CB -0.286 38.738 39.000 0.039 0.000 1.001 1231 F HN 0.009 nan 8.300 nan 0.000 0.479 1232 Y N 0.954 121.353 120.300 0.165 0.000 2.145 1232 Y HA -0.253 4.294 4.550 -0.004 0.000 0.286 1232 Y C 2.802 178.726 175.900 0.040 0.000 1.145 1232 Y CA 2.189 60.331 58.100 0.069 0.000 1.148 1232 Y CB -0.570 37.908 38.460 0.030 0.000 0.981 1232 Y HN -0.001 nan 8.280 nan 0.000 0.507 1233 R N 0.914 121.555 120.500 0.236 0.000 2.105 1233 R HA -0.240 4.097 4.340 -0.005 0.000 0.239 1233 R C 2.437 178.724 176.300 -0.021 0.000 1.135 1233 R CA 2.041 58.251 56.100 0.183 0.000 0.967 1233 R CB -0.358 30.068 30.300 0.209 0.000 0.861 1233 R HN 0.406 nan 8.270 nan 0.000 0.442 1234 K N -0.169 120.175 120.400 -0.093 0.000 2.097 1234 K HA -0.162 4.155 4.320 -0.005 0.000 0.206 1234 K C 0.779 177.270 176.600 -0.182 0.000 1.049 1234 K CA 2.078 58.280 56.287 -0.142 0.000 0.933 1234 K CB 0.086 32.438 32.500 -0.246 0.000 0.717 1234 K HN 0.185 nan 8.250 nan 0.000 0.442 1235 D N -0.298 119.937 120.400 -0.275 0.000 2.277 1235 D HA 0.052 4.689 4.640 -0.005 0.000 0.209 1235 D C 1.604 177.736 176.300 -0.281 0.000 0.970 1235 D CA 0.987 54.822 54.000 -0.276 0.000 0.874 1235 D CB 0.219 40.827 40.800 -0.320 0.000 0.982 1235 D HN 0.337 nan 8.370 nan 0.000 0.504 1236 A N 0.087 122.678 122.820 -0.382 0.000 2.021 1236 A HA 0.387 4.704 4.320 -0.005 0.000 0.216 1236 A C 1.816 179.328 177.584 -0.121 0.000 1.163 1236 A CA 1.305 53.139 52.037 -0.338 0.000 0.676 1236 A CB -0.283 18.379 19.000 -0.565 0.000 0.818 1236 A HN 0.240 nan 8.150 nan 0.000 0.453 1237 G N -0.621 108.144 108.800 -0.059 0.000 2.147 1237 G HA2 -0.214 3.743 3.960 -0.005 0.000 0.244 1237 G HA3 -0.214 3.743 3.960 -0.005 0.000 0.244 1237 G C 0.365 175.299 174.900 0.057 0.000 1.005 1237 G CA 0.624 45.724 45.100 0.001 0.000 0.713 1237 G HN 1.123 nan 8.290 nan 0.000 0.515 1238 S N 0.365 116.149 115.700 0.139 0.000 2.494 1238 S HA 0.630 5.097 4.470 -0.005 0.000 0.312 1238 S C 0.654 175.374 174.600 0.200 0.000 1.121 1238 S CA -0.537 57.786 58.200 0.205 0.000 1.068 1238 S CB -0.191 63.194 63.200 0.308 0.000 1.141 1238 S HN 0.452 nan 8.310 nan 0.000 0.527 1239 L N 4.586 125.863 121.223 0.090 0.000 2.331 1239 L HA 0.564 4.901 4.340 -0.005 0.000 0.275 1239 L C 0.317 177.204 176.870 0.028 0.000 1.022 1239 L CA -0.730 54.122 54.840 0.021 0.000 0.812 1239 L CB 1.703 43.759 42.059 -0.006 0.000 1.257 1239 L HN 0.526 nan 8.230 nan 0.000 0.435 1240 M N 2.420 122.017 119.600 -0.004 0.000 2.146 1240 M HA 0.441 4.919 4.480 -0.005 0.000 0.357 1240 M C 0.117 176.413 176.300 -0.007 0.000 1.261 1240 M CA -0.236 55.065 55.300 0.001 0.000 1.106 1240 M CB 1.147 33.740 32.600 -0.012 0.000 1.612 1240 M HN 0.751 nan 8.290 nan 0.000 0.470 1241 A N 6.941 129.758 122.820 -0.005 0.000 2.425 1241 A HA 0.361 4.679 4.320 -0.005 0.000 0.242 1241 A C -2.037 175.553 177.584 0.010 0.000 1.077 1241 A CA -1.272 50.763 52.037 -0.004 0.000 0.781 1241 A CB -0.429 18.568 19.000 -0.005 0.000 1.020 1241 A HN 0.752 nan 8.150 nan 0.000 0.494 1242 P HA -0.202 nan 4.420 nan 0.000 0.216 1242 P C 1.620 178.967 177.300 0.078 0.000 1.153 1242 P CA 1.772 64.912 63.100 0.067 0.000 0.858 1242 P CB -0.070 31.671 31.700 0.068 0.000 0.789 1243 M N -0.234 119.389 119.600 0.038 0.000 2.117 1243 M HA -0.132 4.345 4.480 -0.005 0.000 0.262 1243 M C 1.161 177.523 176.300 0.103 0.000 1.065 1243 M CA 1.886 57.219 55.300 0.055 0.000 1.114 1243 M CB -1.256 31.345 32.600 0.002 0.000 1.361 1243 M HN -0.256 nan 8.290 nan 0.000 0.408 1244 D N 0.190 120.610 120.400 0.032 0.000 2.144 1244 D HA -0.023 4.615 4.640 -0.005 0.000 0.200 1244 D C 2.003 178.248 176.300 -0.091 0.000 0.978 1244 D CA 1.620 55.608 54.000 -0.020 0.000 0.833 1244 D CB -0.367 40.409 40.800 -0.041 0.000 0.961 1244 D HN 0.509 nan 8.370 nan 0.000 0.470 1245 A N 0.333 123.115 122.820 -0.064 0.000 1.933 1245 A HA -0.154 4.163 4.320 -0.005 0.000 0.218 1245 A C 2.087 179.647 177.584 -0.039 0.000 1.175 1245 A CA 0.943 52.902 52.037 -0.131 0.000 0.628 1245 A CB -0.988 18.017 19.000 0.008 0.000 0.814 1245 A HN 0.293 nan 8.150 nan 0.000 0.444 1246 F N 0.622 120.543 119.950 -0.048 0.000 2.126 1246 F HA -0.160 4.365 4.527 -0.003 0.000 0.299 1246 F C 1.817 177.581 175.800 -0.060 0.000 1.096 1246 F CA 1.832 59.824 58.000 -0.013 0.000 1.255 1246 F CB -0.243 38.761 39.000 0.006 0.000 0.997 1246 F HN 0.143 nan 8.300 nan 0.000 0.479 1247 L N -0.713 120.466 121.223 -0.073 0.000 2.056 1247 L HA -0.247 4.091 4.340 -0.005 0.000 0.207 1247 L C 2.631 179.342 176.870 -0.265 0.000 1.078 1247 L CA 1.219 55.937 54.840 -0.203 0.000 0.749 1247 L CB -0.964 41.075 42.059 -0.033 0.000 0.901 1247 L HN 0.295 nan 8.230 nan 0.000 0.433 1248 C N -0.317 118.806 119.300 -0.295 0.000 2.429 1248 C HA -0.124 4.334 4.460 -0.005 0.000 0.277 1248 C C 3.138 178.015 174.990 -0.187 0.000 1.262 1248 C CA 0.665 59.458 59.018 -0.376 0.000 1.733 1248 C CB -1.058 26.120 27.740 -0.937 0.000 2.010 1248 C HN 0.612 nan 8.230 nan 0.000 0.483 1249 A N 0.419 123.160 122.820 -0.133 0.000 1.902 1249 A HA -0.217 4.100 4.320 -0.005 0.000 0.217 1249 A C 2.299 179.821 177.584 -0.104 0.000 1.181 1249 A CA 1.780 53.850 52.037 0.055 0.000 0.623 1249 A CB -0.636 18.391 19.000 0.044 0.000 0.818 1249 A HN 0.656 nan 8.150 nan 0.000 0.443 1250 R N -0.627 119.698 120.500 -0.292 0.000 2.066 1250 R HA -0.100 4.237 4.340 -0.005 0.000 0.232 1250 R C 2.295 178.464 176.300 -0.219 0.000 1.131 1250 R CA 1.549 57.445 56.100 -0.341 0.000 0.955 1250 R CB -0.698 29.256 30.300 -0.577 0.000 0.851 1250 R HN 0.455 nan 8.270 nan 0.000 0.432 1251 G N 0.820 109.503 108.800 -0.196 0.000 2.418 1251 G HA2 -0.304 3.653 3.960 -0.005 0.000 0.217 1251 G HA3 -0.304 3.653 3.960 -0.005 0.000 0.217 1251 G C 1.435 176.373 174.900 0.064 0.000 1.158 1251 G CA 0.752 45.823 45.100 -0.047 0.000 0.771 1251 G HN 0.324 nan 8.290 nan 0.000 0.545 1252 M N 0.139 119.767 119.600 0.048 0.000 2.358 1252 M HA 0.014 4.491 4.480 -0.005 0.000 0.264 1252 M C 2.141 178.453 176.300 0.020 0.000 1.064 1252 M CA 0.960 56.298 55.300 0.064 0.000 1.093 1252 M CB 0.037 32.708 32.600 0.117 0.000 1.401 1252 M HN -0.008 nan 8.290 nan 0.000 0.440 1253 K N -0.211 120.183 120.400 -0.010 0.000 2.211 1253 K HA -0.111 4.206 4.320 -0.005 0.000 0.204 1253 K C 1.615 178.216 176.600 0.001 0.000 1.047 1253 K CA 1.868 58.140 56.287 -0.025 0.000 0.935 1253 K CB -0.990 31.476 32.500 -0.057 0.000 0.728 1253 K HN 0.534 nan 8.250 nan 0.000 0.452 1254 T N -1.811 112.763 114.554 0.033 0.000 3.134 1254 T HA 0.141 4.489 4.350 -0.005 0.000 0.260 1254 T C 1.499 176.227 174.700 0.047 0.000 1.027 1254 T CA -0.344 61.785 62.100 0.049 0.000 0.913 1254 T CB 0.042 68.961 68.868 0.085 0.000 1.046 1254 T HN -0.068 nan 8.240 nan 0.000 0.553 1255 L N 2.293 123.537 121.223 0.034 0.000 2.012 1255 L HA 0.153 4.491 4.340 -0.005 0.000 0.210 1255 L C -0.951 175.896 176.870 -0.037 0.000 1.073 1255 L CA 1.912 56.762 54.840 0.016 0.000 0.748 1255 L CB -1.101 40.953 42.059 -0.008 0.000 0.891 1255 L HN 0.102 nan 8.230 nan 0.000 0.431 1256 P HA -0.159 nan 4.420 nan 0.000 0.215 1256 P C 1.929 179.207 177.300 -0.037 0.000 1.157 1256 P CA 1.351 64.399 63.100 -0.087 0.000 0.863 1256 P CB -0.070 31.598 31.700 -0.054 0.000 0.787 1257 I N -0.638 119.930 120.570 -0.003 0.000 2.353 1257 I HA -0.147 4.021 4.170 -0.005 0.000 0.248 1257 I C 2.156 178.281 176.117 0.013 0.000 1.119 1257 I CA 1.355 62.664 61.300 0.014 0.000 1.417 1257 I CB -0.475 37.534 38.000 0.016 0.000 1.078 1257 I HN -0.238 nan 8.210 nan 0.000 0.421 1258 R N -0.600 119.910 120.500 0.015 0.000 2.083 1258 R HA -0.165 4.172 4.340 -0.005 0.000 0.237 1258 R C 2.151 178.508 176.300 0.094 0.000 1.137 1258 R CA 1.693 57.793 56.100 0.001 0.000 0.951 1258 R CB -0.468 29.870 30.300 0.064 0.000 0.851 1258 R HN 0.300 nan 8.270 nan 0.000 0.434 1259 M N 0.747 120.420 119.600 0.123 0.000 2.159 1259 M HA -0.189 4.289 4.480 -0.005 0.000 0.263 1259 M C 2.232 178.698 176.300 0.275 0.000 1.063 1259 M CA 1.522 56.901 55.300 0.131 0.000 1.110 1259 M CB -0.945 31.456 32.600 -0.332 0.000 1.374 1259 M HN 0.248 nan 8.290 nan 0.000 0.411 1260 Q N 0.209 120.125 119.800 0.194 0.000 2.050 1260 Q HA -0.174 4.163 4.340 -0.005 0.000 0.202 1260 Q C 1.875 177.977 176.000 0.170 0.000 0.980 1260 Q CA 1.329 57.275 55.803 0.238 0.000 0.840 1260 Q CB 0.136 28.960 28.738 0.143 0.000 0.898 1260 Q HN 0.349 nan 8.270 nan 0.000 0.424 1261 I N 0.635 121.258 120.570 0.088 0.000 2.202 1261 I HA -0.260 3.907 4.170 -0.005 0.000 0.242 1261 I C 2.358 178.521 176.117 0.076 0.000 1.091 1261 I CA 1.460 62.778 61.300 0.030 0.000 1.368 1261 I CB -1.860 36.100 38.000 -0.067 0.000 1.058 1261 I HN 0.350 nan 8.210 nan 0.000 0.410 1262 H N 0.255 119.409 119.070 0.140 0.000 2.319 1262 H HA -0.214 4.339 4.556 -0.005 0.000 0.297 1262 H C 2.273 177.712 175.328 0.185 0.000 1.097 1262 H CA 1.988 58.142 56.048 0.176 0.000 1.285 1262 H CB -0.369 29.521 29.762 0.213 0.000 1.368 1262 H HN 0.303 nan 8.280 nan 0.000 0.495 1263 M N 0.652 120.458 119.600 0.343 0.000 2.080 1263 M HA -0.197 4.281 4.480 -0.005 0.000 0.260 1263 M C 2.264 178.670 176.300 0.178 0.000 1.068 1263 M CA 1.983 57.432 55.300 0.248 0.000 1.109 1263 M CB 0.106 32.787 32.600 0.136 0.000 1.342 1263 M HN 0.033 nan 8.290 nan 0.000 0.405 1264 E N 0.542 120.825 120.200 0.140 0.000 2.072 1264 E HA -0.124 4.223 4.350 -0.005 0.000 0.190 1264 E C 1.439 178.086 176.600 0.078 0.000 0.982 1264 E CA 1.928 58.377 56.400 0.083 0.000 0.803 1264 E CB -0.368 29.370 29.700 0.062 0.000 0.755 1264 E HN 0.675 nan 8.360 nan 0.000 0.453 1265 N N -0.649 118.116 118.700 0.107 0.000 2.120 1265 N HA -0.129 4.608 4.740 -0.005 0.000 0.188 1265 N C 1.836 177.437 175.510 0.152 0.000 1.024 1265 N CA 0.866 53.982 53.050 0.109 0.000 0.852 1265 N CB -0.278 38.281 38.487 0.120 0.000 1.003 1265 N HN 0.275 nan 8.380 nan 0.000 0.424 1266 G N 1.359 110.294 108.800 0.224 0.000 2.418 1266 G HA2 -0.187 3.771 3.960 -0.005 0.000 0.217 1266 G HA3 -0.187 3.771 3.960 -0.005 0.000 0.217 1266 G C 1.529 176.474 174.900 0.074 0.000 1.158 1266 G CA 0.413 45.705 45.100 0.320 0.000 0.771 1266 G HN 0.134 nan 8.290 nan 0.000 0.545 1267 L N -0.300 120.886 121.223 -0.062 0.000 2.056 1267 L HA 0.016 4.353 4.340 -0.005 0.000 0.207 1267 L C 2.955 179.689 176.870 -0.226 0.000 1.078 1267 L CA 1.119 55.742 54.840 -0.360 0.000 0.749 1267 L CB -0.200 41.715 42.059 -0.240 0.000 0.901 1267 L HN 0.149 nan 8.230 nan 0.000 0.433 1268 K N -0.638 119.719 120.400 -0.071 0.000 2.097 1268 K HA -0.109 4.209 4.320 -0.005 0.000 0.205 1268 K C 2.014 178.637 176.600 0.038 0.000 1.050 1268 K CA 1.000 57.274 56.287 -0.021 0.000 0.938 1268 K CB -0.078 32.425 32.500 0.004 0.000 0.718 1268 K HN 0.077 nan 8.250 nan 0.000 0.442 1269 V N 1.216 121.180 119.914 0.084 0.000 2.358 1269 V HA -0.231 3.886 4.120 -0.005 0.000 0.246 1269 V C 2.285 178.499 176.094 0.201 0.000 1.047 1269 V CA 1.989 64.408 62.300 0.198 0.000 1.035 1269 V CB -0.558 31.432 31.823 0.279 0.000 0.658 1269 V HN 0.345 nan 8.190 nan 0.000 0.452 1270 A N -0.125 122.684 122.820 -0.019 0.000 1.902 1270 A HA -0.244 4.073 4.320 -0.005 0.000 0.217 1270 A C 2.285 179.777 177.584 -0.155 0.000 1.181 1270 A CA 1.995 53.881 52.037 -0.251 0.000 0.623 1270 A CB -0.413 18.068 19.000 -0.865 0.000 0.818 1270 A HN 0.554 nan 8.150 nan 0.000 0.443 1271 K N -1.470 118.846 120.400 -0.140 0.000 2.057 1271 K HA -0.091 4.226 4.320 -0.005 0.000 0.206 1271 K C 1.805 178.401 176.600 -0.006 0.000 1.050 1271 K CA 1.499 57.734 56.287 -0.087 0.000 0.935 1271 K CB -0.360 32.092 32.500 -0.080 0.000 0.715 1271 K HN 0.565 nan 8.250 nan 0.000 0.439 1272 F N 1.941 121.855 119.950 -0.059 0.000 2.095 1272 F HA -0.211 4.313 4.527 -0.004 0.000 0.298 1272 F C 1.780 177.573 175.800 -0.011 0.000 1.104 1272 F CA 1.339 59.325 58.000 -0.023 0.000 1.232 1272 F CB -0.150 38.839 39.000 -0.019 0.000 0.987 1272 F HN -0.120 nan 8.300 nan 0.000 0.475 1273 L N 0.278 121.334 121.223 -0.277 0.000 2.083 1273 L HA -0.217 4.121 4.340 -0.005 0.000 0.209 1273 L C 2.501 179.223 176.870 -0.247 0.000 1.083 1273 L CA 1.899 56.499 54.840 -0.400 0.000 0.752 1273 L CB -0.857 41.020 42.059 -0.304 0.000 0.899 1273 L HN 0.280 nan 8.230 nan 0.000 0.433 1274 E N 0.419 120.531 120.200 -0.147 0.000 2.204 1274 E HA -0.258 4.090 4.350 -0.005 0.000 0.194 1274 E C 1.902 178.443 176.600 -0.098 0.000 0.989 1274 E CA 1.131 57.478 56.400 -0.088 0.000 0.824 1274 E CB 0.207 29.861 29.700 -0.075 0.000 0.756 1274 E HN 0.577 nan 8.360 nan 0.000 0.477 1275 Q N -0.714 119.003 119.800 -0.139 0.000 2.360 1275 Q HA 0.034 4.371 4.340 -0.005 0.000 0.202 1275 Q C 0.258 176.154 176.000 -0.173 0.000 0.915 1275 Q CA 0.357 56.085 55.803 -0.126 0.000 0.943 1275 Q CB -0.015 28.668 28.738 -0.093 0.000 1.064 1275 Q HN 0.149 nan 8.270 nan 0.000 0.511 1276 H N 1.872 120.750 119.070 -0.319 0.000 2.580 1276 H HA 0.040 4.594 4.556 -0.004 0.000 0.322 1276 H C 0.621 175.848 175.328 -0.168 0.000 1.082 1276 H CA 0.483 56.338 56.048 -0.321 0.000 1.383 1276 H CB 1.202 30.643 29.762 -0.535 0.000 1.450 1276 H HN 0.590 nan 8.280 nan 0.000 0.505 1277 E N 4.119 124.082 120.200 -0.396 0.000 2.204 1277 E HA -0.151 4.196 4.350 -0.005 0.000 0.195 1277 E C 0.723 177.341 176.600 0.030 0.000 0.990 1277 E CA 0.828 57.138 56.400 -0.151 0.000 0.821 1277 E CB 0.163 29.752 29.700 -0.186 0.000 0.750 1277 E HN 0.440 nan 8.360 nan 0.000 0.477 1278 K N 0.163 120.714 120.400 0.251 0.000 2.366 1278 K HA 0.050 4.367 4.320 -0.005 0.000 0.198 1278 K C 0.379 177.062 176.600 0.138 0.000 1.044 1278 K CA 0.271 56.676 56.287 0.196 0.000 0.973 1278 K CB 0.331 32.959 32.500 0.213 0.000 0.767 1278 K HN 0.245 nan 8.250 nan 0.000 0.475 1279 I N 1.402 122.049 120.570 0.127 0.000 2.331 1279 I HA 0.022 4.189 4.170 -0.005 0.000 0.292 1279 I C 1.579 177.751 176.117 0.093 0.000 0.998 1279 I CA -0.237 61.129 61.300 0.110 0.000 1.267 1279 I CB 1.444 39.468 38.000 0.038 0.000 1.386 1279 I HN -0.281 nan 8.210 nan 0.000 0.476 1280 V N 5.555 125.538 119.914 0.116 0.000 2.446 1280 V HA 0.036 4.153 4.120 -0.005 0.000 0.244 1280 V C 0.904 177.053 176.094 0.091 0.000 1.039 1280 V CA 1.273 63.625 62.300 0.088 0.000 1.045 1280 V CB -0.237 31.639 31.823 0.088 0.000 0.681 1280 V HN 0.739 nan 8.190 nan 0.000 0.459 1281 K N -1.066 119.414 120.400 0.133 0.000 2.562 1281 K HA 0.585 4.902 4.320 -0.005 0.000 0.267 1281 K C -2.081 174.647 176.600 0.214 0.000 0.938 1281 K CA -0.435 55.938 56.287 0.143 0.000 0.840 1281 K CB 2.878 35.462 32.500 0.140 0.000 1.390 1281 K HN -0.105 nan 8.250 nan 0.000 0.428 1282 V N 2.654 122.691 119.914 0.205 0.000 2.483 1282 V HA 0.324 4.441 4.120 -0.005 0.000 0.297 1282 V C -0.598 175.643 176.094 0.246 0.000 1.027 1282 V CA -0.861 61.599 62.300 0.268 0.000 0.855 1282 V CB 1.645 33.566 31.823 0.165 0.000 0.995 1282 V HN 0.737 nan 8.190 nan 0.000 0.424 1283 N N 3.744 122.620 118.700 0.292 0.000 3.083 1283 N HA 0.204 4.941 4.740 -0.005 0.000 0.260 1283 N C -0.888 174.489 175.510 -0.222 0.000 1.163 1283 N CA -0.257 52.880 53.050 0.145 0.000 1.060 1283 N CB 0.187 38.848 38.487 0.291 0.000 1.345 1283 N HN 0.670 nan 8.380 nan 0.000 0.515 1284 H N 2.600 121.334 119.070 -0.561 0.000 2.505 1284 H HA 0.239 4.792 4.556 -0.005 0.000 0.338 1284 H C -2.073 172.739 175.328 -0.859 0.000 1.057 1284 H CA -2.043 53.601 56.048 -0.673 0.000 1.202 1284 H CB 2.185 31.440 29.762 -0.844 0.000 1.466 1284 H HN 0.253 nan 8.280 nan 0.000 0.499 1285 P HA -0.002 nan 4.420 nan 0.000 0.237 1285 P C 1.082 178.294 177.300 -0.147 0.000 1.178 1285 P CA 0.793 63.671 63.100 -0.369 0.000 0.766 1285 P CB 0.082 31.735 31.700 -0.078 0.000 0.876 1286 G N -0.208 108.316 108.800 -0.461 0.000 2.813 1286 G HA2 0.079 4.036 3.960 -0.005 0.000 0.209 1286 G HA3 0.079 4.036 3.960 -0.005 0.000 0.209 1286 G C 0.618 175.199 174.900 -0.533 0.000 1.150 1286 G CA -0.131 44.437 45.100 -0.886 0.000 0.785 1286 G HN 0.214 nan 8.290 nan 0.000 0.535 1287 L N 0.842 121.805 121.223 -0.433 0.000 2.326 1287 L HA 0.227 4.564 4.340 -0.005 0.000 0.278 1287 L C 1.294 177.849 176.870 -0.525 0.000 1.092 1287 L CA -0.590 53.998 54.840 -0.420 0.000 0.810 1287 L CB 1.315 43.225 42.059 -0.249 0.000 1.153 1287 L HN 0.191 nan 8.230 nan 0.000 0.439 1288 E N 0.987 120.888 120.200 -0.498 0.000 2.209 1288 E HA -0.186 4.162 4.350 -0.005 0.000 0.196 1288 E C 1.855 178.381 176.600 -0.124 0.000 0.993 1288 E CA 1.506 57.681 56.400 -0.375 0.000 0.819 1288 E CB 0.017 29.604 29.700 -0.188 0.000 0.745 1288 E HN 0.820 nan 8.360 nan 0.000 0.477 1289 S N 0.639 116.296 115.700 -0.072 0.000 2.474 1289 S HA -0.112 4.355 4.470 -0.005 0.000 0.235 1289 S C 0.638 175.285 174.600 0.079 0.000 0.997 1289 S CA -0.024 58.179 58.200 0.006 0.000 0.949 1289 S CB -0.396 62.811 63.200 0.012 0.000 0.766 1289 S HN 0.157 nan 8.310 nan 0.000 0.517 1290 F N 4.334 124.254 119.950 -0.050 0.000 2.438 1290 F HA 0.473 4.998 4.527 -0.004 0.000 0.356 1290 F C -2.677 173.162 175.800 0.065 0.000 1.099 1290 F CA -2.904 55.106 58.000 0.016 0.000 1.185 1290 F CB 0.445 39.459 39.000 0.024 0.000 1.115 1290 F HN -0.038 nan 8.300 nan 0.000 0.526 1291 P HA 0.254 nan 4.420 nan 0.000 0.271 1291 P C 0.347 177.429 177.300 -0.362 0.000 1.220 1291 P CA 0.815 63.684 63.100 -0.385 0.000 0.768 1291 P CB 0.817 32.284 31.700 -0.389 0.000 0.848 1292 G N 2.053 110.812 108.800 -0.069 0.000 2.175 1292 G HA2 -0.339 3.619 3.960 -0.005 0.000 0.244 1292 G HA3 -0.339 3.619 3.960 -0.005 0.000 0.244 1292 G C 1.238 176.269 174.900 0.220 0.000 0.982 1292 G CA 0.412 45.547 45.100 0.058 0.000 0.641 1292 G HN 0.720 nan 8.290 nan 0.000 0.527 1293 H N 0.927 120.117 119.070 0.200 0.000 2.353 1293 H HA -0.118 4.435 4.556 -0.005 0.000 0.298 1293 H C 2.057 177.479 175.328 0.157 0.000 1.103 1293 H CA 1.986 58.168 56.048 0.223 0.000 1.293 1293 H CB 0.097 29.963 29.762 0.173 0.000 1.372 1293 H HN 0.439 nan 8.280 nan 0.000 0.501 1294 D N 0.509 120.907 120.400 -0.002 0.000 2.117 1294 D HA -0.115 4.522 4.640 -0.005 0.000 0.197 1294 D C 2.478 178.738 176.300 -0.066 0.000 0.987 1294 D CA 0.996 54.948 54.000 -0.081 0.000 0.829 1294 D CB -0.211 40.594 40.800 0.009 0.000 0.961 1294 D HN 0.484 nan 8.370 nan 0.000 0.460 1295 I N 1.041 121.609 120.570 -0.003 0.000 2.202 1295 I HA -0.216 3.951 4.170 -0.005 0.000 0.242 1295 I C 2.493 178.623 176.117 0.022 0.000 1.091 1295 I CA 0.960 62.269 61.300 0.014 0.000 1.368 1295 I CB -0.198 37.824 38.000 0.037 0.000 1.058 1295 I HN -0.090 nan 8.210 nan 0.000 0.410 1296 A N 0.694 123.556 122.820 0.071 0.000 1.908 1296 A HA -0.296 4.021 4.320 -0.005 0.000 0.218 1296 A C 2.374 179.984 177.584 0.045 0.000 1.181 1296 A CA 2.148 54.260 52.037 0.125 0.000 0.627 1296 A CB -0.607 18.575 19.000 0.304 0.000 0.818 1296 A HN 0.382 nan 8.150 nan 0.000 0.445 1297 K N -0.452 119.923 120.400 -0.042 0.000 2.097 1297 K HA -0.142 4.175 4.320 -0.005 0.000 0.206 1297 K C 1.888 178.438 176.600 -0.083 0.000 1.049 1297 K CA 1.458 57.688 56.287 -0.094 0.000 0.933 1297 K CB -0.079 32.267 32.500 -0.257 0.000 0.717 1297 K HN 0.338 nan 8.250 nan 0.000 0.442 1298 K N 0.197 120.560 120.400 -0.061 0.000 2.116 1298 K HA -0.074 4.243 4.320 -0.005 0.000 0.203 1298 K C 1.959 178.541 176.600 -0.030 0.000 1.052 1298 K CA 1.144 57.408 56.287 -0.039 0.000 0.952 1298 K CB 0.147 32.631 32.500 -0.026 0.000 0.729 1298 K HN 0.354 nan 8.250 nan 0.000 0.446 1299 Q N -0.528 119.259 119.800 -0.021 0.000 2.384 1299 Q HA 0.199 4.536 4.340 -0.005 0.000 0.207 1299 Q C 0.570 176.562 176.000 -0.014 0.000 0.904 1299 Q CA 0.208 56.006 55.803 -0.008 0.000 0.933 1299 Q CB 0.584 29.327 28.738 0.008 0.000 1.077 1299 Q HN 0.207 nan 8.270 nan 0.000 0.522 1300 M N -0.413 119.157 119.600 -0.051 0.000 2.662 1300 M HA 0.259 4.736 4.480 -0.005 0.000 0.310 1300 M C 0.371 176.582 176.300 -0.149 0.000 1.204 1300 M CA -0.343 54.908 55.300 -0.081 0.000 0.891 1300 M CB 1.951 34.480 32.600 -0.118 0.000 1.732 1300 M HN -0.113 nan 8.290 nan 0.000 0.467 1301 T N -2.637 111.853 114.554 -0.106 0.000 3.092 1301 T HA 0.545 4.892 4.350 -0.005 0.000 0.258 1301 T C 0.397 174.869 174.700 -0.380 0.000 1.031 1301 T CA 0.058 62.086 62.100 -0.121 0.000 0.925 1301 T CB 0.081 68.978 68.868 0.048 0.000 1.036 1301 T HN 0.918 nan 8.240 nan 0.000 0.544 1302 G N -0.138 108.198 108.800 -0.773 0.000 2.490 1302 G HA2 0.545 4.502 3.960 -0.005 0.000 0.308 1302 G HA3 0.545 4.502 3.960 -0.005 0.000 0.308 1302 G C -2.311 171.759 174.900 -1.382 0.000 1.286 1302 G CA -1.065 43.086 45.100 -1.581 0.000 0.825 1302 G HN 0.210 nan 8.290 nan 0.000 0.479 1303 Y N -0.452 119.474 120.300 -0.622 0.000 2.499 1303 Y HA 0.620 5.167 4.550 -0.005 0.000 0.347 1303 Y C 1.018 176.892 175.900 -0.043 0.000 0.987 1303 Y CA -0.218 57.778 58.100 -0.175 0.000 1.044 1303 Y CB 2.110 40.550 38.460 -0.033 0.000 1.245 1303 Y HN 0.844 nan 8.280 nan 0.000 0.461 1304 G N 0.144 109.021 108.800 0.128 0.000 2.683 1304 G HA2 0.317 4.275 3.960 -0.005 0.000 0.260 1304 G HA3 0.317 4.275 3.960 -0.005 0.000 0.260 1304 G C 0.351 175.289 174.900 0.063 0.000 1.238 1304 G CA -0.085 44.981 45.100 -0.057 0.000 0.934 1304 G HN 0.739 nan 8.290 nan 0.000 0.534 1305 S N -1.872 113.904 115.700 0.127 0.000 2.664 1305 S HA 0.285 4.753 4.470 -0.005 0.000 0.245 1305 S C 0.248 175.020 174.600 0.287 0.000 1.019 1305 S CA -0.352 58.022 58.200 0.290 0.000 0.996 1305 S CB 0.363 63.785 63.200 0.370 0.000 0.878 1305 S HN 0.414 nan 8.310 nan 0.000 0.493 1306 T N 3.457 118.050 114.554 0.065 0.000 2.758 1306 T HA 0.705 5.053 4.350 -0.005 0.000 0.285 1306 T C -0.712 174.021 174.700 0.055 0.000 0.981 1306 T CA -0.493 61.526 62.100 -0.134 0.000 0.965 1306 T CB 0.398 68.884 68.868 -0.636 0.000 0.927 1306 T HN 0.518 nan 8.240 nan 0.000 0.448 1307 F N 1.280 121.236 119.950 0.011 0.000 2.831 1307 F HA 0.802 5.327 4.527 -0.004 0.000 0.318 1307 F C -2.166 173.727 175.800 0.155 0.000 1.174 1307 F CA -1.752 56.291 58.000 0.073 0.000 0.918 1307 F CB 1.200 40.191 39.000 -0.015 0.000 1.364 1307 F HN 0.499 nan 8.300 nan 0.000 0.475 1308 L N 2.091 123.514 121.223 0.334 0.000 2.354 1308 L HA 0.844 5.181 4.340 -0.005 0.000 0.269 1308 L C -1.587 175.503 176.870 0.367 0.000 1.005 1308 L CA -0.928 54.004 54.840 0.154 0.000 0.819 1308 L CB 2.132 44.254 42.059 0.105 0.000 1.311 1308 L HN 0.796 nan 8.230 nan 0.000 0.423 1309 F N 0.560 120.585 119.950 0.125 0.000 2.613 1309 F HA 0.603 5.128 4.527 -0.005 0.000 0.314 1309 F C -0.877 174.985 175.800 0.103 0.000 1.075 1309 F CA -0.903 57.187 58.000 0.150 0.000 0.945 1309 F CB 1.351 40.454 39.000 0.172 0.000 1.310 1309 F HN 0.474 nan 8.300 nan 0.000 0.467 1310 E N 3.535 123.894 120.200 0.264 0.000 2.113 1310 E HA 0.347 4.694 4.350 -0.005 0.000 0.273 1310 E C -0.808 175.911 176.600 0.198 0.000 0.924 1310 E CA -0.873 55.617 56.400 0.151 0.000 0.764 1310 E CB 0.937 30.713 29.700 0.127 0.000 1.104 1310 E HN 0.595 nan 8.360 nan 0.000 0.406 1311 M N 3.105 122.793 119.600 0.147 0.000 2.245 1311 M HA 0.214 4.691 4.480 -0.005 0.000 0.292 1311 M C 0.899 177.260 176.300 0.102 0.000 1.176 1311 M CA -0.011 55.375 55.300 0.144 0.000 1.035 1311 M CB 0.347 33.016 32.600 0.116 0.000 1.440 1311 M HN 0.458 nan 8.290 nan 0.000 0.494 1312 K N 0.261 120.711 120.400 0.083 0.000 2.365 1312 K HA 0.003 4.321 4.320 -0.005 0.000 0.199 1312 K C 0.234 176.873 176.600 0.064 0.000 1.045 1312 K CA 0.509 56.834 56.287 0.064 0.000 0.962 1312 K CB 0.117 32.646 32.500 0.048 0.000 0.759 1312 K HN 0.802 nan 8.250 nan 0.000 0.469 1313 S N -1.900 113.842 115.700 0.070 0.000 2.611 1313 S HA 0.157 4.625 4.470 -0.005 0.000 0.268 1313 S C 0.186 174.855 174.600 0.115 0.000 1.156 1313 S CA -1.018 57.237 58.200 0.093 0.000 0.817 1313 S CB 0.214 63.452 63.200 0.064 0.000 1.122 1313 S HN 0.098 nan 8.310 nan 0.000 0.466 1314 F N 1.672 121.642 119.950 0.034 0.000 2.126 1314 F HA -0.041 4.483 4.527 -0.005 0.000 0.299 1314 F C 2.054 177.844 175.800 -0.018 0.000 1.096 1314 F CA 2.179 60.192 58.000 0.022 0.000 1.255 1314 F CB -0.213 38.803 39.000 0.027 0.000 0.997 1314 F HN 0.746 nan 8.300 nan 0.000 0.479 1315 E N 0.858 120.898 120.200 -0.266 0.000 2.077 1315 E HA -0.164 4.184 4.350 -0.005 0.000 0.193 1315 E C 2.317 178.768 176.600 -0.249 0.000 0.989 1315 E CA 1.372 57.573 56.400 -0.331 0.000 0.800 1315 E CB -0.708 28.928 29.700 -0.106 0.000 0.746 1315 E HN 0.504 nan 8.360 nan 0.000 0.452 1316 A N 0.951 123.694 122.820 -0.128 0.000 1.902 1316 A HA -0.109 4.209 4.320 -0.005 0.000 0.217 1316 A C 2.360 179.899 177.584 -0.076 0.000 1.181 1316 A CA 1.900 53.896 52.037 -0.068 0.000 0.623 1316 A CB -0.864 18.132 19.000 -0.007 0.000 0.818 1316 A HN 0.289 nan 8.150 nan 0.000 0.443 1317 A N 0.234 122.985 122.820 -0.115 0.000 1.877 1317 A HA -0.197 4.120 4.320 -0.005 0.000 0.216 1317 A C 2.146 179.614 177.584 -0.193 0.000 1.186 1317 A CA 2.157 54.133 52.037 -0.102 0.000 0.620 1317 A CB -0.526 18.446 19.000 -0.047 0.000 0.822 1317 A HN 0.621 nan 8.150 nan 0.000 0.443 1318 K N -0.076 120.073 120.400 -0.418 0.000 2.026 1318 K HA -0.207 4.110 4.320 -0.005 0.000 0.208 1318 K C 2.132 178.645 176.600 -0.146 0.000 1.048 1318 K CA 1.921 57.978 56.287 -0.383 0.000 0.929 1318 K CB -0.247 31.867 32.500 -0.642 0.000 0.713 1318 K HN 0.384 nan 8.250 nan 0.000 0.439 1319 K N 0.424 120.771 120.400 -0.087 0.000 2.103 1319 K HA -0.169 4.148 4.320 -0.005 0.000 0.207 1319 K C 2.212 178.923 176.600 0.186 0.000 1.048 1319 K CA 1.298 57.641 56.287 0.094 0.000 0.930 1319 K CB -0.166 32.336 32.500 0.004 0.000 0.716 1319 K HN 0.198 nan 8.250 nan 0.000 0.444 1320 L N 1.039 122.307 121.223 0.075 0.000 1.976 1320 L HA -0.134 4.203 4.340 -0.005 0.000 0.209 1320 L C 2.093 179.021 176.870 0.096 0.000 1.071 1320 L CA 1.804 56.706 54.840 0.102 0.000 0.746 1320 L CB -0.373 41.755 42.059 0.114 0.000 0.890 1320 L HN 0.238 nan 8.230 nan 0.000 0.432 1321 M N -0.901 118.722 119.600 0.039 0.000 2.279 1321 M HA -0.181 4.297 4.480 -0.005 0.000 0.264 1321 M C 1.564 177.847 176.300 -0.028 0.000 1.062 1321 M CA 1.574 56.881 55.300 0.012 0.000 1.099 1321 M CB -0.292 32.295 32.600 -0.021 0.000 1.394 1321 M HN 0.336 nan 8.290 nan 0.000 0.426 1322 E N -1.138 119.016 120.200 -0.077 0.000 2.479 1322 E HA 0.004 4.352 4.350 -0.005 0.000 0.193 1322 E C 0.326 176.645 176.600 -0.468 0.000 1.049 1322 E CA 0.215 56.461 56.400 -0.257 0.000 0.870 1322 E CB 0.294 29.796 29.700 -0.330 0.000 0.944 1322 E HN 0.549 nan 8.360 nan 0.000 0.492 1323 H N -0.193 118.879 119.070 0.003 0.000 2.665 1323 H HA 0.230 4.783 4.556 -0.004 0.000 0.248 1323 H C -0.245 175.092 175.328 0.016 0.000 1.175 1323 H CA -0.112 55.942 56.048 0.011 0.000 0.952 1323 H CB 0.582 30.354 29.762 0.017 0.000 1.883 1323 H HN 0.012 nan 8.280 nan 0.000 0.623 1324 L N 1.139 122.403 121.223 0.067 0.000 2.357 1324 L HA 0.249 4.586 4.340 -0.005 0.000 0.273 1324 L C 1.119 178.006 176.870 0.029 0.000 1.080 1324 L CA -0.428 54.442 54.840 0.052 0.000 0.803 1324 L CB 1.315 43.400 42.059 0.043 0.000 1.174 1324 L HN -0.045 nan 8.230 nan 0.000 0.443 1325 K N 1.513 121.929 120.400 0.027 0.000 2.399 1325 K HA 0.150 4.467 4.320 -0.005 0.000 0.196 1325 K C 1.228 177.834 176.600 0.011 0.000 1.103 1325 K CA 0.455 56.752 56.287 0.017 0.000 0.986 1325 K CB 0.637 33.149 32.500 0.019 0.000 0.952 1325 K HN 0.426 nan 8.250 nan 0.000 0.541 1326 V N 1.206 121.126 119.914 0.011 0.000 2.627 1326 V HA 0.018 4.135 4.120 -0.005 0.000 0.239 1326 V C 1.184 177.284 176.094 0.011 0.000 1.077 1326 V CA 0.257 62.561 62.300 0.007 0.000 1.103 1326 V CB 0.003 31.827 31.823 0.002 0.000 0.802 1326 V HN 0.109 nan 8.190 nan 0.000 0.482 1327 C N 1.857 121.167 119.300 0.016 0.000 2.662 1327 C HA 0.395 4.852 4.460 -0.005 0.000 0.420 1327 C C 0.886 175.884 174.990 0.013 0.000 1.314 1327 C CA -0.071 58.959 59.018 0.019 0.000 1.963 1327 C CB -0.608 27.151 27.740 0.032 0.000 2.686 1327 C HN 0.457 nan 8.230 nan 0.000 0.609 1328 T N 3.736 118.296 114.554 0.010 0.000 2.794 1328 T HA 0.354 4.702 4.350 -0.005 0.000 0.280 1328 T C -0.283 174.421 174.700 0.006 0.000 0.987 1328 T CA -0.320 61.783 62.100 0.005 0.000 0.993 1328 T CB 0.961 69.831 68.868 0.003 0.000 0.939 1328 T HN 0.488 nan 8.240 nan 0.000 0.449 1329 L N 4.302 125.527 121.223 0.003 0.000 2.385 1329 L HA 0.624 4.962 4.340 -0.005 0.000 0.281 1329 L C -0.073 176.804 176.870 0.011 0.000 1.106 1329 L CA 0.429 55.273 54.840 0.007 0.000 0.856 1329 L CB -1.148 40.909 42.059 -0.004 0.000 1.186 1329 L HN 0.879 nan 8.230 nan 0.000 0.453 1330 A N 3.873 126.704 122.820 0.018 0.000 2.569 1330 A HA 0.582 4.899 4.320 -0.005 0.000 0.292 1330 A C -0.711 176.890 177.584 0.028 0.000 1.032 1330 A CA -0.221 51.828 52.037 0.020 0.000 0.669 1330 A CB 0.382 19.388 19.000 0.011 0.000 1.290 1330 A HN 1.081 nan 8.150 nan 0.000 0.422 1331 V N -0.398 119.538 119.914 0.037 0.000 3.596 1331 V HA 0.890 5.007 4.120 -0.005 0.000 0.288 1331 V C 0.715 176.828 176.094 0.032 0.000 1.021 1331 V CA 0.586 62.916 62.300 0.051 0.000 1.020 1331 V CB 0.742 32.609 31.823 0.073 0.000 1.243 1331 V HN 2.914 nan 8.190 nan 0.000 0.433 1332 S N -0.556 115.169 115.700 0.041 0.000 3.976 1332 S HA -0.009 4.459 4.470 -0.005 0.000 0.652 1332 S C -0.936 173.636 174.600 -0.048 0.000 1.522 1332 S CA 0.686 58.885 58.200 -0.003 0.000 1.667 1332 S CB -1.146 62.040 63.200 -0.024 0.000 0.332 1332 S HN 2.552 nan 8.310 nan 0.000 1.594 1333 L N -1.771 119.374 121.223 -0.130 0.000 2.999 1333 L HA 0.822 5.160 4.340 -0.005 0.000 0.274 1333 L C 0.904 177.496 176.870 -0.462 0.000 1.044 1333 L CA -0.002 54.686 54.840 -0.253 0.000 0.943 1333 L CB 0.811 42.716 42.059 -0.258 0.000 1.522 1333 L HN 2.216 nan 8.230 nan 0.000 0.400 1334 G N -0.751 107.574 108.800 -0.792 0.000 2.148 1334 G HA2 -0.205 3.752 3.960 -0.005 0.000 0.254 1334 G HA3 -0.205 3.752 3.960 -0.005 0.000 0.254 1334 G C 0.230 174.770 174.900 -0.601 0.000 0.981 1334 G CA 0.165 44.403 45.100 -1.435 0.000 0.670 1334 G HN 0.821 nan 8.290 nan 0.000 0.528 1335 C N -0.189 118.940 119.300 -0.284 0.000 2.443 1335 C HA 0.499 4.956 4.460 -0.005 0.000 0.369 1335 C C 2.545 177.548 174.990 0.023 0.000 1.241 1335 C CA -0.104 58.848 59.018 -0.109 0.000 2.413 1335 C CB 1.164 28.856 27.740 -0.081 0.000 2.451 1335 C HN 0.883 nan 8.230 nan 0.000 0.595 1336 V N 0.070 119.955 119.914 -0.049 0.000 2.568 1336 V HA -0.066 4.052 4.120 -0.005 0.000 0.253 1336 V C 0.748 176.839 176.094 -0.005 0.000 1.072 1336 V CA 1.811 64.080 62.300 -0.052 0.000 1.084 1336 V CB -0.999 30.709 31.823 -0.192 0.000 0.676 1336 V HN 0.938 nan 8.190 nan 0.000 0.469 1337 D N -0.198 120.201 120.400 -0.001 0.000 2.217 1337 D HA 0.228 4.865 4.640 -0.005 0.000 0.248 1337 D C -0.372 175.941 176.300 0.023 0.000 1.008 1337 D CA -0.437 53.568 54.000 0.008 0.000 0.914 1337 D CB 1.553 42.352 40.800 -0.002 0.000 1.182 1337 D HN 0.147 nan 8.370 nan 0.000 0.451 1338 T N 1.343 115.914 114.554 0.027 0.000 2.851 1338 T HA 0.355 4.702 4.350 -0.005 0.000 0.298 1338 T C 0.282 174.989 174.700 0.011 0.000 0.977 1338 T CA -0.283 61.836 62.100 0.031 0.000 1.126 1338 T CB 0.240 69.131 68.868 0.039 0.000 0.916 1338 T HN 0.188 nan 8.240 nan 0.000 0.529 1339 L N 3.552 124.772 121.223 -0.004 0.000 2.333 1339 L HA 0.758 5.096 4.340 -0.005 0.000 0.269 1339 L C -0.381 176.485 176.870 -0.006 0.000 1.010 1339 L CA -1.093 53.742 54.840 -0.009 0.000 0.818 1339 L CB 1.907 43.951 42.059 -0.025 0.000 1.306 1339 L HN 0.551 nan 8.230 nan 0.000 0.430 1340 I N 1.334 121.907 120.570 0.005 0.000 2.752 1340 I HA 0.424 4.591 4.170 -0.005 0.000 0.295 1340 I C -1.527 174.601 176.117 0.018 0.000 1.219 1340 I CA -0.013 61.293 61.300 0.010 0.000 1.030 1340 I CB 2.539 40.560 38.000 0.036 0.000 1.259 1340 I HN 0.887 nan 8.210 nan 0.000 0.423 1341 E N 4.611 124.822 120.200 0.018 0.000 2.447 1341 E HA 0.370 4.717 4.350 -0.005 0.000 0.279 1341 E C -1.669 174.982 176.600 0.085 0.000 1.053 1341 E CA -0.819 55.615 56.400 0.057 0.000 0.840 1341 E CB 1.130 30.868 29.700 0.063 0.000 1.409 1341 E HN 0.529 nan 8.360 nan 0.000 0.461 1342 H N 1.027 120.102 119.070 0.009 0.000 2.725 1342 H HA 0.271 4.824 4.556 -0.005 0.000 0.283 1342 H C -2.044 173.307 175.328 0.038 0.000 1.110 1342 H CA -2.369 53.690 56.048 0.018 0.000 1.289 1342 H CB 1.409 31.214 29.762 0.071 0.000 1.400 1342 H HN 0.304 nan 8.280 nan 0.000 0.493 1343 P HA -0.153 nan 4.420 nan 0.000 0.216 1343 P C 1.350 178.566 177.300 -0.141 0.000 1.150 1343 P CA 1.719 64.764 63.100 -0.091 0.000 0.843 1343 P CB 0.214 31.831 31.700 -0.138 0.000 0.787 1344 A N -0.151 122.436 122.820 -0.388 0.000 1.972 1344 A HA -0.157 4.160 4.320 -0.005 0.000 0.219 1344 A C 2.137 179.660 177.584 -0.102 0.000 1.169 1344 A CA 2.309 54.195 52.037 -0.252 0.000 0.635 1344 A CB -1.258 17.554 19.000 -0.313 0.000 0.810 1344 A HN 0.367 nan 8.150 nan 0.000 0.446 1345 S N -2.751 112.936 115.700 -0.020 0.000 2.559 1345 S HA 0.456 4.923 4.470 -0.005 0.000 0.226 1345 S C 1.075 175.729 174.600 0.091 0.000 1.000 1345 S CA 0.236 58.501 58.200 0.108 0.000 0.948 1345 S CB 0.006 63.354 63.200 0.248 0.000 0.870 1345 S HN 0.446 nan 8.310 nan 0.000 0.497 1346 M N 1.222 120.864 119.600 0.070 0.000 3.114 1346 M HA 0.187 4.664 4.480 -0.005 0.000 0.152 1346 M C 2.141 178.463 176.300 0.037 0.000 1.756 1346 M CA 0.842 56.181 55.300 0.064 0.000 1.654 1346 M CB -0.646 32.010 32.600 0.093 0.000 0.853 1346 M HN 0.234 nan 8.290 nan 0.000 0.596 1347 T N -1.648 112.949 114.554 0.072 0.000 2.946 1347 T HA -0.113 4.235 4.350 -0.005 0.000 0.271 1347 T C 1.103 175.697 174.700 -0.178 0.000 1.104 1347 T CA 1.310 63.430 62.100 0.034 0.000 1.114 1347 T CB -0.468 68.517 68.868 0.195 0.000 0.867 1347 T HN 0.413 nan 8.240 nan 0.000 0.513 1348 H N -1.125 117.899 119.070 -0.077 0.000 3.230 1348 H HA 0.572 5.125 4.556 -0.004 0.000 0.259 1348 H C 2.076 177.349 175.328 -0.092 0.000 1.195 1348 H CA 0.227 56.214 56.048 -0.102 0.000 1.112 1348 H CB 0.569 30.278 29.762 -0.088 0.000 1.638 1348 H HN 0.461 nan 8.280 nan 0.000 0.624 1349 A N 0.975 123.789 122.820 -0.010 0.000 2.125 1349 A HA 0.008 4.325 4.320 -0.005 0.000 0.219 1349 A C 2.269 179.822 177.584 -0.052 0.000 1.156 1349 A CA 1.424 53.446 52.037 -0.025 0.000 0.671 1349 A CB -0.221 18.770 19.000 -0.015 0.000 0.794 1349 A HN 0.334 nan 8.150 nan 0.000 0.459 1350 A N -0.797 121.971 122.820 -0.087 0.000 2.238 1350 A HA 0.432 4.749 4.320 -0.005 0.000 0.210 1350 A C 0.730 178.252 177.584 -0.104 0.000 1.179 1350 A CA 0.049 52.025 52.037 -0.101 0.000 0.827 1350 A CB -0.194 18.731 19.000 -0.125 0.000 0.856 1350 A HN 0.207 nan 8.150 nan 0.000 0.488 1351 V N 2.565 122.424 119.914 -0.093 0.000 2.521 1351 V HA 0.133 4.250 4.120 -0.005 0.000 0.286 1351 V C -2.159 173.908 176.094 -0.044 0.000 1.034 1351 V CA -1.242 61.018 62.300 -0.066 0.000 1.045 1351 V CB 0.392 32.208 31.823 -0.011 0.000 0.974 1351 V HN 0.280 nan 8.190 nan 0.000 0.480 1352 P HA 0.002 nan 4.420 nan 0.000 0.261 1352 P C 1.007 178.292 177.300 -0.025 0.000 1.173 1352 P CA 0.142 63.220 63.100 -0.037 0.000 0.760 1352 P CB 0.522 32.200 31.700 -0.035 0.000 0.783 1353 E N 2.758 122.942 120.200 -0.027 0.000 2.108 1353 E HA -0.317 4.030 4.350 -0.005 0.000 0.203 1353 E C 1.624 178.214 176.600 -0.016 0.000 1.022 1353 E CA 1.891 58.277 56.400 -0.023 0.000 0.823 1353 E CB -0.486 29.200 29.700 -0.024 0.000 0.744 1353 E HN 0.554 nan 8.360 nan 0.000 0.456 1354 N N 0.467 119.158 118.700 -0.015 0.000 2.049 1354 N HA -0.210 4.527 4.740 -0.005 0.000 0.198 1354 N C 1.842 177.350 175.510 -0.005 0.000 1.030 1354 N CA 2.185 55.229 53.050 -0.010 0.000 0.870 1354 N CB -0.275 38.205 38.487 -0.011 0.000 1.045 1354 N HN 0.150 nan 8.380 nan 0.000 0.434 1355 I N -0.791 119.777 120.570 -0.004 0.000 2.480 1355 I HA -0.076 4.091 4.170 -0.005 0.000 0.251 1355 I C 2.336 178.457 176.117 0.007 0.000 1.124 1355 I CA 0.520 61.823 61.300 0.006 0.000 1.444 1355 I CB -0.224 37.781 38.000 0.008 0.000 1.098 1355 I HN 0.272 nan 8.210 nan 0.000 0.428 1356 M N 1.067 120.668 119.600 0.001 0.000 2.106 1356 M HA -0.250 4.227 4.480 -0.005 0.000 0.259 1356 M C 2.353 178.645 176.300 -0.014 0.000 1.068 1356 M CA 1.999 57.296 55.300 -0.006 0.000 1.100 1356 M CB -0.200 32.392 32.600 -0.014 0.000 1.351 1356 M HN 0.018 nan 8.290 nan 0.000 0.404 1357 R N -0.413 120.081 120.500 -0.011 0.000 2.073 1357 R HA -0.060 4.277 4.340 -0.005 0.000 0.229 1357 R C 2.283 178.580 176.300 -0.006 0.000 1.120 1357 R CA 1.454 57.548 56.100 -0.010 0.000 0.967 1357 R CB -0.401 29.894 30.300 -0.009 0.000 0.862 1357 R HN 0.428 nan 8.270 nan 0.000 0.436 1358 K N 0.816 121.215 120.400 -0.001 0.000 2.217 1358 K HA -0.115 4.202 4.320 -0.005 0.000 0.202 1358 K C 2.025 178.627 176.600 0.004 0.000 1.051 1358 K CA 1.005 57.294 56.287 0.004 0.000 0.952 1358 K CB 0.090 32.595 32.500 0.009 0.000 0.736 1358 K HN 0.276 nan 8.250 nan 0.000 0.453 1359 Q N -0.526 119.274 119.800 -0.000 0.000 2.369 1359 Q HA -0.046 4.291 4.340 -0.005 0.000 0.206 1359 Q C 0.801 176.787 176.000 -0.022 0.000 0.963 1359 Q CA 0.796 56.593 55.803 -0.011 0.000 0.894 1359 Q CB 0.251 28.976 28.738 -0.021 0.000 0.965 1359 Q HN 0.513 nan 8.270 nan 0.000 0.475 1360 G N 1.299 110.088 108.800 -0.018 0.000 2.160 1360 G HA2 -0.262 3.695 3.960 -0.005 0.000 0.244 1360 G HA3 -0.262 3.695 3.960 -0.005 0.000 0.244 1360 G C -0.069 174.812 174.900 -0.031 0.000 1.022 1360 G CA -0.123 44.969 45.100 -0.014 0.000 0.741 1360 G HN 0.286 nan 8.290 nan 0.000 0.508 1361 I N 1.856 122.393 120.570 -0.055 0.000 2.315 1361 I HA 0.516 4.683 4.170 -0.005 0.000 0.291 1361 I C 0.895 176.971 176.117 -0.068 0.000 1.006 1361 I CA 0.139 61.387 61.300 -0.087 0.000 1.265 1361 I CB 1.471 39.390 38.000 -0.136 0.000 1.387 1361 I HN 0.327 nan 8.210 nan 0.000 0.475 1362 T N 2.487 117.002 114.554 -0.064 0.000 2.901 1362 T HA 0.444 4.791 4.350 -0.005 0.000 0.293 1362 T C -2.326 172.354 174.700 -0.033 0.000 1.084 1362 T CA -1.980 60.099 62.100 -0.036 0.000 1.008 1362 T CB 1.986 70.855 68.868 0.002 0.000 1.170 1362 T HN 0.166 nan 8.240 nan 0.000 0.509 1363 P HA 0.032 nan 4.420 nan 0.000 0.223 1363 P C 0.720 178.258 177.300 0.397 0.000 1.144 1363 P CA 0.792 64.014 63.100 0.204 0.000 0.783 1363 P CB 0.029 31.793 31.700 0.107 0.000 0.771 1364 E N -1.141 119.178 120.200 0.199 0.000 2.481 1364 E HA 0.057 4.405 4.350 -0.005 0.000 0.195 1364 E C 0.415 177.069 176.600 0.090 0.000 1.047 1364 E CA 0.172 56.673 56.400 0.167 0.000 0.867 1364 E CB -0.323 29.443 29.700 0.110 0.000 0.858 1364 E HN 0.278 nan 8.360 nan 0.000 0.513 1365 L N 0.775 122.015 121.223 0.028 0.000 2.312 1365 L HA 0.371 4.709 4.340 -0.005 0.000 0.281 1365 L C -0.337 176.440 176.870 -0.156 0.000 1.070 1365 L CA -0.802 53.982 54.840 -0.093 0.000 0.805 1365 L CB 1.177 43.174 42.059 -0.103 0.000 1.174 1365 L HN -0.189 nan 8.230 nan 0.000 0.434 1366 V N 3.270 122.929 119.914 -0.425 0.000 2.656 1366 V HA 0.465 4.582 4.120 -0.005 0.000 0.307 1366 V C -0.169 175.576 176.094 -0.582 0.000 1.051 1366 V CA -0.722 61.273 62.300 -0.508 0.000 0.893 1366 V CB 2.192 33.537 31.823 -0.797 0.000 0.999 1366 V HN 0.702 nan 8.190 nan 0.000 0.426 1367 R N 3.761 124.093 120.500 -0.278 0.000 2.393 1367 R HA 0.700 5.037 4.340 -0.005 0.000 0.310 1367 R C -1.324 174.886 176.300 -0.149 0.000 0.968 1367 R CA -0.527 55.461 56.100 -0.187 0.000 0.867 1367 R CB 1.521 31.795 30.300 -0.044 0.000 1.124 1367 R HN 0.783 nan 8.270 nan 0.000 0.450 1368 I N 2.219 122.661 120.570 -0.213 0.000 2.474 1368 I HA 0.236 4.403 4.170 -0.005 0.000 0.294 1368 I C -0.922 175.062 176.117 -0.223 0.000 1.005 1368 I CA -0.335 60.863 61.300 -0.171 0.000 1.113 1368 I CB 2.120 40.054 38.000 -0.111 0.000 1.289 1368 I HN 0.554 nan 8.210 nan 0.000 0.436 1369 S N 6.841 122.476 115.700 -0.109 0.000 2.532 1369 S HA 0.422 4.889 4.470 -0.005 0.000 0.318 1369 S C -0.679 173.926 174.600 0.009 0.000 1.083 1369 S CA -0.568 57.579 58.200 -0.089 0.000 1.131 1369 S CB 0.380 63.498 63.200 -0.136 0.000 0.973 1369 S HN 0.409 nan 8.310 nan 0.000 0.468 1370 V N 5.598 125.578 119.914 0.111 0.000 2.508 1370 V HA 0.430 4.548 4.120 -0.005 0.000 0.281 1370 V C 1.467 177.738 176.094 0.295 0.000 1.041 1370 V CA 0.156 62.571 62.300 0.192 0.000 1.016 1370 V CB 0.663 32.654 31.823 0.280 0.000 0.984 1370 V HN 0.895 nan 8.190 nan 0.000 0.478 1371 G N 3.754 112.679 108.800 0.208 0.000 2.509 1371 G HA2 0.436 4.393 3.960 -0.005 0.000 0.269 1371 G HA3 0.436 4.393 3.960 -0.005 0.000 0.269 1371 G C 0.640 175.567 174.900 0.044 0.000 1.416 1371 G CA -0.340 44.886 45.100 0.210 0.000 1.052 1371 G HN 0.913 nan 8.290 nan 0.000 0.542 1372 I N -2.042 118.461 120.570 -0.112 0.000 3.861 1372 I HA 0.363 4.530 4.170 -0.005 0.000 0.329 1372 I C -0.083 175.994 176.117 -0.067 0.000 1.321 1372 I CA -0.316 60.889 61.300 -0.158 0.000 1.126 1372 I CB -0.181 37.665 38.000 -0.258 0.000 1.018 1372 I HN 0.125 nan 8.210 nan 0.000 0.407 1373 E N 2.339 122.520 120.200 -0.030 0.000 2.458 1373 E HA -0.070 4.278 4.350 -0.005 0.000 0.264 1373 E C 0.050 176.641 176.600 -0.015 0.000 1.097 1373 E CA 0.109 56.498 56.400 -0.018 0.000 0.973 1373 E CB 0.165 29.861 29.700 -0.006 0.000 0.963 1373 E HN 0.407 nan 8.360 nan 0.000 0.451 1374 N N 0.503 119.193 118.700 -0.016 0.000 2.411 1374 N HA -0.105 4.632 4.740 -0.005 0.000 0.261 1374 N C 0.698 176.197 175.510 -0.019 0.000 1.248 1374 N CA 0.058 53.098 53.050 -0.016 0.000 0.885 1374 N CB 0.689 39.166 38.487 -0.017 0.000 1.062 1374 N HN 0.349 nan 8.380 nan 0.000 0.471 1375 V N 3.282 123.187 119.914 -0.015 0.000 2.490 1375 V HA -0.203 3.914 4.120 -0.005 0.000 0.250 1375 V C 1.068 177.130 176.094 -0.054 0.000 1.061 1375 V CA 1.987 64.276 62.300 -0.018 0.000 1.064 1375 V CB -0.466 31.355 31.823 -0.003 0.000 0.670 1375 V HN 0.775 nan 8.190 nan 0.000 0.461 1376 D N -0.148 120.219 120.400 -0.055 0.000 2.178 1376 D HA -0.128 4.509 4.640 -0.005 0.000 0.202 1376 D C 1.816 178.063 176.300 -0.089 0.000 0.974 1376 D CA 1.377 55.328 54.000 -0.082 0.000 0.841 1376 D CB -0.232 40.533 40.800 -0.058 0.000 0.953 1376 D HN 0.508 nan 8.370 nan 0.000 0.478 1377 D N 0.396 120.760 120.400 -0.059 0.000 2.144 1377 D HA -0.044 4.593 4.640 -0.005 0.000 0.200 1377 D C 2.313 178.577 176.300 -0.060 0.000 0.978 1377 D CA 0.331 54.301 54.000 -0.051 0.000 0.833 1377 D CB -0.109 40.672 40.800 -0.030 0.000 0.961 1377 D HN 0.277 nan 8.370 nan 0.000 0.470 1378 I N 0.611 121.147 120.570 -0.056 0.000 2.202 1378 I HA -0.204 3.964 4.170 -0.005 0.000 0.242 1378 I C 2.384 178.435 176.117 -0.110 0.000 1.091 1378 I CA 0.719 61.990 61.300 -0.049 0.000 1.368 1378 I CB -0.119 37.873 38.000 -0.014 0.000 1.058 1378 I HN -0.069 nan 8.210 nan 0.000 0.410 1379 I N 0.830 121.283 120.570 -0.195 0.000 2.226 1379 I HA -0.283 3.884 4.170 -0.005 0.000 0.245 1379 I C 2.755 178.625 176.117 -0.413 0.000 1.100 1379 I CA 1.350 62.383 61.300 -0.445 0.000 1.374 1379 I CB -0.434 37.210 38.000 -0.594 0.000 1.057 1379 I HN 0.186 nan 8.210 nan 0.000 0.413 1380 A N 0.105 122.782 122.820 -0.238 0.000 1.972 1380 A HA -0.275 4.042 4.320 -0.005 0.000 0.219 1380 A C 1.954 179.488 177.584 -0.083 0.000 1.169 1380 A CA 2.163 54.112 52.037 -0.147 0.000 0.635 1380 A CB -0.574 18.372 19.000 -0.089 0.000 0.810 1380 A HN 0.436 nan 8.150 nan 0.000 0.446 1381 D N -0.072 120.287 120.400 -0.069 0.000 2.097 1381 D HA -0.093 4.545 4.640 -0.005 0.000 0.197 1381 D C 1.856 178.155 176.300 -0.003 0.000 0.984 1381 D CA 1.196 55.184 54.000 -0.021 0.000 0.826 1381 D CB -0.214 40.579 40.800 -0.011 0.000 0.973 1381 D HN 0.398 nan 8.370 nan 0.000 0.460 1382 L N 0.104 121.316 121.223 -0.018 0.000 2.046 1382 L HA -0.140 4.198 4.340 -0.005 0.000 0.208 1382 L C 2.601 179.508 176.870 0.063 0.000 1.077 1382 L CA 1.202 56.064 54.840 0.036 0.000 0.747 1382 L CB -0.443 41.662 42.059 0.076 0.000 0.896 1382 L HN 0.051 nan 8.230 nan 0.000 0.432 1383 K N 0.314 120.741 120.400 0.045 0.000 2.057 1383 K HA -0.260 4.058 4.320 -0.005 0.000 0.207 1383 K C 2.206 178.862 176.600 0.093 0.000 1.049 1383 K CA 1.822 58.195 56.287 0.144 0.000 0.931 1383 K CB 0.052 32.606 32.500 0.091 0.000 0.714 1383 K HN 0.370 nan 8.250 nan 0.000 0.440 1384 Q N -0.069 119.762 119.800 0.051 0.000 2.119 1384 Q HA -0.024 4.314 4.340 -0.005 0.000 0.201 1384 Q C 1.800 177.832 176.000 0.053 0.000 0.972 1384 Q CA 1.575 57.409 55.803 0.052 0.000 0.847 1384 Q CB -0.484 28.276 28.738 0.037 0.000 0.903 1384 Q HN 0.274 nan 8.270 nan 0.000 0.433 1385 A N 1.195 124.048 122.820 0.054 0.000 1.898 1385 A HA 0.001 4.319 4.320 -0.005 0.000 0.216 1385 A C 2.192 179.796 177.584 0.033 0.000 1.181 1385 A CA 1.205 53.277 52.037 0.060 0.000 0.620 1385 A CB -0.765 18.291 19.000 0.093 0.000 0.819 1385 A HN 0.389 nan 8.150 nan 0.000 0.442 1386 L N -0.755 120.478 121.223 0.016 0.000 2.131 1386 L HA -0.162 4.176 4.340 -0.005 0.000 0.210 1386 L C 1.752 178.654 176.870 0.054 0.000 1.092 1386 L CA 1.322 56.149 54.840 -0.022 0.000 0.759 1386 L CB -0.368 41.544 42.059 -0.245 0.000 0.903 1386 L HN 0.442 nan 8.230 nan 0.000 0.435 1387 E N -0.280 119.970 120.200 0.083 0.000 2.419 1387 E HA 0.074 4.421 4.350 -0.005 0.000 0.190 1387 E C -0.172 176.472 176.600 0.073 0.000 1.040 1387 E CA -0.463 55.999 56.400 0.103 0.000 0.900 1387 E CB 0.440 30.220 29.700 0.133 0.000 1.054 1387 E HN 0.074 nan 8.360 nan 0.000 0.462 1388 L N 1.703 122.950 121.223 0.040 0.000 2.456 1388 L HA -0.002 4.336 4.340 -0.005 0.000 0.272 1388 L C 0.452 177.367 176.870 0.076 0.000 1.189 1388 L CA 0.220 55.081 54.840 0.035 0.000 0.846 1388 L CB 0.014 42.033 42.059 -0.066 0.000 1.111 1388 L HN 0.275 nan 8.230 nan 0.000 0.475 1389 W N 0.000 121.267 121.300 -0.055 0.000 2.388 1389 W HA 0.000 4.657 4.660 -0.005 0.000 0.303 1389 W CA 0.000 57.319 57.345 -0.044 0.000 1.226 1389 W CB 0.000 29.436 29.460 -0.039 0.000 1.126 1389 W HN 0.000 nan 8.180 nan 0.000 0.535