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 3acz_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 VSXYINGHGD 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 0.000 177.586 177.584 0.003 0.000 1.274 1003 A CA 0.000 52.038 52.037 0.001 0.000 0.836 1003 A CB 0.000 19.001 19.000 0.002 0.000 0.831 1004 Q N 1.343 121.144 119.800 0.002 0.000 2.315 1004 Q HA 0.158 4.496 4.340 -0.004 0.000 0.289 1004 Q C -0.004 176.002 176.000 0.010 0.000 1.044 1004 Q CA 0.474 56.280 55.803 0.005 0.000 0.920 1004 Q CB 0.422 29.162 28.738 0.004 0.000 1.214 1004 Q HN 0.712 nan 8.270 nan 0.000 0.392 1005 D N 2.429 122.838 120.400 0.015 0.000 2.399 1005 D HA -0.051 4.587 4.640 -0.004 0.000 0.241 1005 D C 0.931 177.241 176.300 0.016 0.000 1.133 1005 D CA -0.252 53.758 54.000 0.016 0.000 0.890 1005 D CB 0.653 41.466 40.800 0.021 0.000 1.201 1005 D HN 0.605 nan 8.370 nan 0.000 0.432 1006 I N 2.561 123.134 120.570 0.005 0.000 2.264 1006 I HA -0.260 3.908 4.170 -0.004 0.000 0.248 1006 I C 1.852 177.969 176.117 0.001 0.000 1.111 1006 I CA 1.729 63.025 61.300 -0.007 0.000 1.382 1006 I CB -0.608 37.374 38.000 -0.029 0.000 1.060 1006 I HN 0.561 nan 8.210 nan 0.000 0.418 1007 T N -0.055 114.504 114.554 0.008 0.000 2.665 1007 T HA -0.212 4.135 4.350 -0.004 0.000 0.268 1007 T C 1.791 176.520 174.700 0.048 0.000 1.035 1007 T CA 2.341 64.453 62.100 0.019 0.000 1.151 1007 T CB -0.767 68.115 68.868 0.024 0.000 0.862 1007 T HN 0.432 nan 8.240 nan 0.000 0.438 1008 T N 1.716 116.314 114.554 0.072 0.000 2.737 1008 T HA -0.099 4.249 4.350 -0.004 0.000 0.265 1008 T C 2.333 177.138 174.700 0.175 0.000 1.038 1008 T CA 1.586 63.774 62.100 0.147 0.000 1.144 1008 T CB -0.800 68.126 68.868 0.098 0.000 0.866 1008 T HN 0.391 nan 8.240 nan 0.000 0.434 1009 T N 2.575 117.181 114.554 0.087 0.000 2.665 1009 T HA -0.025 4.323 4.350 -0.004 0.000 0.268 1009 T C 1.929 176.650 174.700 0.034 0.000 1.035 1009 T CA 1.016 63.153 62.100 0.060 0.000 1.151 1009 T CB -0.503 68.375 68.868 0.017 0.000 0.862 1009 T HN 0.250 nan 8.240 nan 0.000 0.438 1010 L N 0.124 121.350 121.223 0.005 0.000 2.201 1010 L HA 0.055 4.393 4.340 -0.004 0.000 0.212 1010 L C 2.209 179.045 176.870 -0.057 0.000 1.105 1010 L CA 0.866 55.688 54.840 -0.030 0.000 0.775 1010 L CB -0.372 41.667 42.059 -0.033 0.000 0.913 1010 L HN 0.272 nan 8.230 nan 0.000 0.440 1011 L N -1.354 119.827 121.223 -0.070 0.000 2.492 1011 L HA -0.034 4.304 4.340 -0.004 0.000 0.223 1011 L C 0.640 177.181 176.870 -0.548 0.000 1.132 1011 L CA 0.323 55.019 54.840 -0.240 0.000 0.850 1011 L CB -0.078 41.868 42.059 -0.189 0.000 0.966 1011 L HN 0.311 nan 8.230 nan 0.000 0.454 1012 H N 0.127 119.210 119.070 0.023 0.000 2.386 1012 H HA 0.298 4.851 4.556 -0.004 0.000 0.232 1012 H C -2.208 173.121 175.328 0.001 0.000 1.416 1012 H CA -1.648 54.418 56.048 0.029 0.000 1.285 1012 H CB 0.147 29.930 29.762 0.034 0.000 1.625 1012 H HN 0.071 nan 8.280 nan 0.000 0.521 1013 P HA 0.094 nan 4.420 nan 0.000 0.272 1013 P C 0.358 177.648 177.300 -0.017 0.000 1.223 1013 P CA -0.329 62.761 63.100 -0.017 0.000 0.784 1013 P CB 1.885 33.550 31.700 -0.058 0.000 0.923 1014 K N 0.647 121.029 120.400 -0.030 0.000 2.276 1014 K HA 0.478 4.795 4.320 -0.004 0.000 0.259 1014 K C 0.620 177.187 176.600 -0.055 0.000 1.001 1014 K CA 0.519 56.785 56.287 -0.035 0.000 0.927 1014 K CB -0.093 32.387 32.500 -0.034 0.000 0.969 1014 K HN 0.908 nan 8.250 nan 0.000 0.490 1015 G N 1.438 110.206 108.800 -0.053 0.000 2.525 1015 G HA2 -0.104 3.854 3.960 -0.004 0.000 0.685 1015 G HA3 -0.104 3.854 3.960 -0.004 0.000 0.685 1015 G C -1.399 173.459 174.900 -0.071 0.000 1.285 1015 G CA -0.994 44.082 45.100 -0.041 0.000 0.849 1015 G HN 0.593 nan 8.290 nan 0.000 0.653 1016 D N 0.853 121.235 120.400 -0.029 0.000 2.344 1016 D HA 0.279 4.917 4.640 -0.004 0.000 0.244 1016 D C 0.358 176.634 176.300 -0.040 0.000 1.134 1016 D CA -0.127 53.834 54.000 -0.066 0.000 0.930 1016 D CB 0.547 41.341 40.800 -0.009 0.000 1.175 1016 D HN 0.377 nan 8.370 nan 0.000 0.437 1017 H N -0.102 119.004 119.070 0.060 0.000 2.679 1017 H HA 0.136 4.690 4.556 -0.004 0.000 0.369 1017 H C -0.177 175.143 175.328 -0.013 0.000 1.178 1017 H CA -0.073 56.004 56.048 0.047 0.000 1.419 1017 H CB 0.892 30.665 29.762 0.018 0.000 1.458 1017 H HN -0.008 nan 8.280 nan 0.000 0.605 1018 V N 4.236 124.190 119.914 0.068 0.000 2.350 1018 V HA 0.006 4.123 4.120 -0.004 0.000 0.276 1018 V C 1.110 177.219 176.094 0.024 0.000 1.028 1018 V CA -0.467 61.840 62.300 0.011 0.000 0.860 1018 V CB 0.807 32.581 31.823 -0.082 0.000 0.990 1018 V HN 0.734 nan 8.190 nan 0.000 0.453 1019 L N 6.145 127.402 121.223 0.057 0.000 3.678 1019 L HA -0.277 4.061 4.340 -0.004 0.000 0.425 1019 L C 1.061 178.062 176.870 0.218 0.000 1.240 1019 L CA 0.607 55.524 54.840 0.128 0.000 0.876 1019 L CB -1.494 40.606 42.059 0.069 0.000 1.766 1019 L HN 1.108 nan 8.230 nan 0.000 0.917 1020 H N -2.552 116.553 119.070 0.058 0.000 3.179 1020 H HA -0.176 4.377 4.556 -0.004 0.000 0.250 1020 H C 1.125 176.428 175.328 -0.041 0.000 1.142 1020 H CA 1.179 57.244 56.048 0.029 0.000 1.165 1020 H CB -1.064 28.703 29.762 0.008 0.000 1.253 1020 H HN 0.518 nan 8.280 nan 0.000 0.325 1021 S N -0.368 115.372 115.700 0.068 0.000 2.537 1021 S HA -0.053 4.415 4.470 -0.004 0.000 0.286 1021 S C 1.592 176.191 174.600 -0.002 0.000 1.299 1021 S CA 0.254 58.470 58.200 0.026 0.000 1.067 1021 S CB 0.594 63.788 63.200 -0.010 0.000 0.864 1021 S HN 0.577 nan 8.310 nan 0.000 0.494 1022 H N 4.007 123.013 119.070 -0.106 0.000 2.299 1022 H HA 0.095 4.649 4.556 -0.004 0.000 0.302 1022 H C 0.977 176.340 175.328 0.058 0.000 1.078 1022 H CA 0.982 56.958 56.048 -0.120 0.000 1.323 1022 H CB -0.220 29.501 29.762 -0.069 0.000 1.381 1022 H HN 0.731 nan 8.280 nan 0.000 0.498 1023 A N 0.503 123.294 122.820 -0.048 0.000 2.371 1023 A HA 0.147 4.465 4.320 -0.004 0.000 0.257 1023 A C -1.025 176.636 177.584 0.128 0.000 1.089 1023 A CA -0.322 51.714 52.037 -0.001 0.000 0.794 1023 A CB -0.209 18.838 19.000 0.078 0.000 1.029 1023 A HN 0.538 nan 8.150 nan 0.000 0.488 1024 Y N 2.966 123.339 120.300 0.122 0.000 2.465 1024 Y HA 0.350 4.898 4.550 -0.004 0.000 0.331 1024 Y C -1.888 174.134 175.900 0.204 0.000 1.102 1024 Y CA -1.199 57.008 58.100 0.178 0.000 1.358 1024 Y CB 0.416 38.974 38.460 0.165 0.000 1.213 1024 Y HN 0.505 nan 8.280 nan 0.000 0.525 1025 P HA 0.142 nan 4.420 nan 0.000 0.272 1025 P C -0.910 176.413 177.300 0.038 0.000 1.240 1025 P CA -0.024 62.981 63.100 -0.157 0.000 0.791 1025 P CB 0.673 32.102 31.700 -0.451 0.000 0.978 1026 I N 1.478 121.966 120.570 -0.137 0.000 2.301 1026 I HA 0.188 4.356 4.170 -0.004 0.000 0.292 1026 I C -0.018 176.008 176.117 -0.152 0.000 1.046 1026 I CA -0.265 60.999 61.300 -0.059 0.000 1.282 1026 I CB -0.071 37.788 38.000 -0.236 0.000 1.409 1026 I HN 0.210 nan 8.210 nan 0.000 0.484 1027 F N 4.839 124.796 119.950 0.012 0.000 2.626 1027 F HA 0.159 4.684 4.527 -0.003 0.000 0.353 1027 F C 1.066 176.830 175.800 -0.059 0.000 1.230 1027 F CA -0.411 57.577 58.000 -0.019 0.000 1.298 1027 F CB 0.123 39.157 39.000 0.056 0.000 1.670 1027 F HN 0.471 nan 8.300 nan 0.000 0.633 1028 Q N 2.436 122.221 119.800 -0.025 0.000 2.815 1028 Q HA 0.158 4.496 4.340 -0.004 0.000 0.235 1028 Q C -0.287 175.661 176.000 -0.088 0.000 1.354 1028 Q CA 0.186 55.957 55.803 -0.054 0.000 0.953 1028 Q CB 0.117 28.799 28.738 -0.094 0.000 1.613 1028 Q HN 0.421 nan 8.270 nan 0.000 0.572 1029 T N -0.152 114.347 114.554 -0.092 0.000 2.894 1029 T HA 0.439 4.787 4.350 -0.004 0.000 0.309 1029 T C 0.551 175.125 174.700 -0.210 0.000 1.208 1029 T CA 0.080 62.066 62.100 -0.190 0.000 1.016 1029 T CB 1.207 69.872 68.868 -0.340 0.000 1.192 1029 T HN 0.441 nan 8.240 nan 0.000 0.491 1030 S N 2.019 117.583 115.700 -0.227 0.000 2.460 1030 S HA 0.254 4.722 4.470 -0.004 0.000 0.226 1030 S C 1.010 175.423 174.600 -0.312 0.000 1.057 1030 S CA 0.415 58.446 58.200 -0.282 0.000 0.948 1030 S CB -0.029 63.077 63.200 -0.157 0.000 0.822 1030 S HN 0.699 nan 8.310 nan 0.000 0.512 1031 T N 0.181 114.619 114.554 -0.193 0.000 2.883 1031 T HA 0.719 5.067 4.350 -0.004 0.000 0.284 1031 T C -1.931 172.549 174.700 -0.367 0.000 1.041 1031 T CA -0.772 61.313 62.100 -0.024 0.000 1.007 1031 T CB 0.942 69.901 68.868 0.153 0.000 1.220 1031 T HN 0.204 nan 8.240 nan 0.000 0.552 1032 F N 0.800 120.718 119.950 -0.054 0.000 2.588 1032 F HA 0.548 5.074 4.527 -0.002 0.000 0.314 1032 F C 0.489 176.142 175.800 -0.246 0.000 1.069 1032 F CA -0.915 57.034 58.000 -0.085 0.000 0.931 1032 F CB 1.253 40.247 39.000 -0.010 0.000 1.260 1032 F HN 0.776 nan 8.300 nan 0.000 0.465 1033 C N 0.572 119.874 119.300 0.002 0.000 2.405 1033 C HA 0.766 5.224 4.460 -0.004 0.000 0.365 1033 C C -0.513 174.489 174.990 0.021 0.000 1.233 1033 C CA -0.997 57.967 59.018 -0.090 0.000 2.230 1033 C CB -0.208 27.533 27.740 0.002 0.000 2.443 1033 C HN 0.497 nan 8.230 nan 0.000 0.556 1034 F N 1.327 121.353 119.950 0.127 0.000 2.425 1034 F HA 0.364 4.889 4.527 -0.003 0.000 0.331 1034 F C 1.314 177.163 175.800 0.082 0.000 1.085 1034 F CA -0.760 57.303 58.000 0.106 0.000 1.028 1034 F CB 0.722 39.787 39.000 0.110 0.000 1.177 1034 F HN 0.607 nan 8.300 nan 0.000 0.487 1035 D N 0.020 120.586 120.400 0.276 0.000 2.234 1035 D HA 0.000 4.638 4.640 -0.004 0.000 0.205 1035 D C 0.429 176.808 176.300 0.132 0.000 0.962 1035 D CA 1.061 55.158 54.000 0.161 0.000 0.855 1035 D CB 0.268 41.138 40.800 0.115 0.000 0.951 1035 D HN 0.431 nan 8.370 nan 0.000 0.500 1036 S N -2.445 113.335 115.700 0.134 0.000 2.611 1036 S HA 0.227 4.694 4.470 -0.004 0.000 0.268 1036 S C 0.736 175.373 174.600 0.061 0.000 1.156 1036 S CA -0.636 57.614 58.200 0.083 0.000 0.817 1036 S CB 1.467 64.693 63.200 0.044 0.000 1.122 1036 S HN -0.142 nan 8.310 nan 0.000 0.466 1037 T N 1.226 115.805 114.554 0.043 0.000 2.665 1037 T HA -0.172 4.175 4.350 -0.004 0.000 0.268 1037 T C 1.743 176.411 174.700 -0.054 0.000 1.035 1037 T CA 2.274 64.380 62.100 0.010 0.000 1.151 1037 T CB -0.536 68.339 68.868 0.013 0.000 0.862 1037 T HN 0.634 nan 8.240 nan 0.000 0.438 1038 Q N 0.959 120.734 119.800 -0.041 0.000 2.050 1038 Q HA -0.091 4.247 4.340 -0.004 0.000 0.202 1038 Q C 2.402 178.345 176.000 -0.095 0.000 0.980 1038 Q CA 1.542 57.312 55.803 -0.056 0.000 0.840 1038 Q CB -0.503 28.217 28.738 -0.030 0.000 0.898 1038 Q HN 0.481 nan 8.270 nan 0.000 0.424 1039 Q N -0.880 118.864 119.800 -0.092 0.000 2.096 1039 Q HA -0.139 4.198 4.340 -0.004 0.000 0.204 1039 Q C 1.802 177.612 176.000 -0.318 0.000 0.982 1039 Q CA 1.806 57.535 55.803 -0.123 0.000 0.850 1039 Q CB -0.510 28.208 28.738 -0.033 0.000 0.901 1039 Q HN 0.515 nan 8.270 nan 0.000 0.422 1040 G N 0.442 108.888 108.800 -0.590 0.000 2.433 1040 G HA2 -0.221 3.737 3.960 -0.004 0.000 0.216 1040 G HA3 -0.221 3.737 3.960 -0.004 0.000 0.216 1040 G C 1.556 176.155 174.900 -0.503 0.000 1.186 1040 G CA 1.393 45.668 45.100 -1.375 0.000 0.779 1040 G HN 0.520 nan 8.290 nan 0.000 0.543 1041 A N 1.208 123.890 122.820 -0.231 0.000 1.892 1041 A HA -0.144 4.174 4.320 -0.004 0.000 0.218 1041 A C 2.109 179.675 177.584 -0.030 0.000 1.188 1041 A CA 2.369 54.366 52.037 -0.067 0.000 0.631 1041 A CB -0.598 18.362 19.000 -0.067 0.000 0.822 1041 A HN 0.309 nan 8.150 nan 0.000 0.447 1042 D N -0.110 120.239 120.400 -0.085 0.000 2.117 1042 D HA -0.109 4.529 4.640 -0.004 0.000 0.197 1042 D C 1.917 178.173 176.300 -0.073 0.000 0.987 1042 D CA 1.021 54.981 54.000 -0.067 0.000 0.829 1042 D CB -0.378 40.377 40.800 -0.074 0.000 0.961 1042 D HN 0.456 nan 8.370 nan 0.000 0.460 1043 L N -0.562 120.581 121.223 -0.134 0.000 2.083 1043 L HA -0.137 4.200 4.340 -0.004 0.000 0.209 1043 L C 2.249 179.022 176.870 -0.161 0.000 1.083 1043 L CA 0.739 55.478 54.840 -0.168 0.000 0.752 1043 L CB -0.351 41.582 42.059 -0.210 0.000 0.899 1043 L HN -0.004 nan 8.230 nan 0.000 0.433 1044 F N -1.094 118.794 119.950 -0.103 0.000 2.269 1044 F HA -0.192 4.332 4.527 -0.004 0.000 0.301 1044 F C 2.322 178.090 175.800 -0.055 0.000 1.082 1044 F CA 0.879 58.848 58.000 -0.053 0.000 1.360 1044 F CB -0.032 38.940 39.000 -0.048 0.000 1.041 1044 F HN 0.070 nan 8.300 nan 0.000 0.512 1045 M N -0.661 118.991 119.600 0.087 0.000 2.495 1045 M HA 0.259 4.737 4.480 -0.004 0.000 0.237 1045 M C 1.642 177.933 176.300 -0.015 0.000 1.131 1045 M CA 0.780 56.096 55.300 0.027 0.000 1.032 1045 M CB -0.971 31.633 32.600 0.007 0.000 1.513 1045 M HN 0.276 nan 8.290 nan 0.000 0.488 1046 G N 1.446 110.223 108.800 -0.040 0.000 2.136 1046 G HA2 -0.209 3.749 3.960 -0.004 0.000 0.242 1046 G HA3 -0.209 3.749 3.960 -0.004 0.000 0.242 1046 G C -0.010 174.851 174.900 -0.065 0.000 0.989 1046 G CA -0.026 45.036 45.100 -0.064 0.000 0.682 1046 G HN 0.371 nan 8.290 nan 0.000 0.522 1047 K N 0.685 121.049 120.400 -0.060 0.000 2.183 1047 K HA 0.642 4.960 4.320 -0.004 0.000 0.274 1047 K C 0.840 177.399 176.600 -0.068 0.000 1.009 1047 K CA 0.242 56.495 56.287 -0.056 0.000 0.888 1047 K CB 1.455 33.928 32.500 -0.045 0.000 1.078 1047 K HN 1.592 nan 8.250 nan 0.000 0.459 1048 G N 2.300 111.062 108.800 -0.063 0.000 2.796 1048 G HA2 -0.204 3.754 3.960 -0.004 0.000 0.571 1048 G HA3 -0.204 3.754 3.960 -0.004 0.000 0.571 1048 G C -1.171 173.677 174.900 -0.087 0.000 1.370 1048 G CA -0.764 44.298 45.100 -0.064 0.000 0.856 1048 G HN 0.560 nan 8.290 nan 0.000 0.538 1049 E N -0.142 120.008 120.200 -0.082 0.000 2.195 1049 E HA 0.668 5.016 4.350 -0.004 0.000 0.271 1049 E C 0.443 176.967 176.600 -0.126 0.000 0.923 1049 E CA -0.088 56.243 56.400 -0.114 0.000 0.790 1049 E CB 1.915 31.566 29.700 -0.081 0.000 1.155 1049 E HN 1.900 nan 8.360 nan 0.000 0.402 1050 G N 1.528 110.185 108.800 -0.239 0.000 2.368 1050 G HA2 0.091 4.048 3.960 -0.004 0.000 0.302 1050 G HA3 0.091 4.048 3.960 -0.004 0.000 0.302 1050 G C -1.739 172.849 174.900 -0.521 0.000 1.329 1050 G CA -1.003 43.959 45.100 -0.229 0.000 0.935 1050 G HN 0.525 nan 8.290 nan 0.000 0.590 1051 H N -1.515 117.378 119.070 -0.295 0.000 2.731 1051 H HA 0.782 5.336 4.556 -0.004 0.000 0.368 1051 H C 0.994 176.145 175.328 -0.295 0.000 1.168 1051 H CA -0.605 55.097 56.048 -0.577 0.000 1.181 1051 H CB 2.182 31.048 29.762 -1.492 0.000 1.743 1051 H HN 0.369 nan 8.280 nan 0.000 0.547 1052 I N -0.624 119.883 120.570 -0.105 0.000 3.739 1052 I HA 0.175 4.343 4.170 -0.004 0.000 0.272 1052 I C -0.941 175.400 176.117 0.373 0.000 1.167 1052 I CA 0.034 61.415 61.300 0.135 0.000 1.386 1052 I CB 0.913 38.843 38.000 -0.118 0.000 1.490 1052 I HN 0.374 nan 8.210 nan 0.000 0.452 1053 Y N -0.454 119.954 120.300 0.180 0.000 2.465 1053 Y HA 0.230 4.777 4.550 -0.004 0.000 0.323 1053 Y C 0.627 176.665 175.900 0.231 0.000 1.191 1053 Y CA -0.820 57.440 58.100 0.265 0.000 1.082 1053 Y CB 1.570 40.123 38.460 0.154 0.000 1.334 1053 Y HN -0.172 nan 8.280 nan 0.000 0.449 1054 S N 3.180 118.790 115.700 -0.150 0.000 2.400 1054 S HA -0.166 4.302 4.470 -0.004 0.000 0.232 1054 S C 1.883 176.451 174.600 -0.053 0.000 1.025 1054 S CA 1.698 59.875 58.200 -0.039 0.000 0.993 1054 S CB -0.184 62.956 63.200 -0.099 0.000 0.808 1054 S HN 0.723 nan 8.310 nan 0.000 0.478 1055 R N 0.938 121.387 120.500 -0.084 0.000 2.096 1055 R HA -0.008 4.330 4.340 -0.004 0.000 0.235 1055 R C 1.879 178.247 176.300 0.113 0.000 1.127 1055 R CA 1.146 57.296 56.100 0.084 0.000 0.968 1055 R CB -0.256 30.186 30.300 0.236 0.000 0.861 1055 R HN 0.375 nan 8.270 nan 0.000 0.440 1056 L N -1.157 120.163 121.223 0.162 0.000 2.179 1056 L HA 0.217 4.555 4.340 -0.004 0.000 0.208 1056 L C 0.893 177.780 176.870 0.029 0.000 1.096 1056 L CA 0.530 55.424 54.840 0.091 0.000 0.779 1056 L CB 0.037 42.139 42.059 0.071 0.000 0.922 1056 L HN 0.350 nan 8.230 nan 0.000 0.443 1057 G N 0.001 108.821 108.800 0.033 0.000 2.476 1057 G HA2 0.125 4.083 3.960 -0.004 0.000 0.309 1057 G HA3 0.125 4.083 3.960 -0.004 0.000 0.309 1057 G C -2.000 172.926 174.900 0.043 0.000 1.575 1057 G CA -0.576 44.540 45.100 0.027 0.000 0.913 1057 G HN -0.060 nan 8.290 nan 0.000 0.623 1058 N N 2.846 121.553 118.700 0.011 0.000 2.314 1058 N HA 0.481 5.219 4.740 -0.004 0.000 0.294 1058 N C -1.977 173.456 175.510 -0.130 0.000 1.029 1058 N CA -1.968 51.067 53.050 -0.026 0.000 0.845 1058 N CB 3.512 42.034 38.487 0.059 0.000 1.321 1058 N HN 0.040 nan 8.380 nan 0.000 0.481 1059 P HA -0.063 nan 4.420 nan 0.000 0.215 1059 P C 1.033 178.309 177.300 -0.041 0.000 1.153 1059 P CA 1.596 64.490 63.100 -0.344 0.000 0.853 1059 P CB 0.255 31.456 31.700 -0.830 0.000 0.788 1060 T N -0.781 113.878 114.554 0.175 0.000 2.777 1060 T HA -0.083 4.265 4.350 -0.004 0.000 0.266 1060 T C 1.860 176.623 174.700 0.104 0.000 1.040 1060 T CA 1.208 63.465 62.100 0.261 0.000 1.141 1060 T CB -1.041 68.062 68.868 0.392 0.000 0.868 1060 T HN -0.107 nan 8.240 nan 0.000 0.444 1061 V N 1.692 121.658 119.914 0.086 0.000 2.295 1061 V HA -0.187 3.930 4.120 -0.004 0.000 0.246 1061 V C 2.482 178.615 176.094 0.065 0.000 1.049 1061 V CA 1.698 64.050 62.300 0.086 0.000 1.024 1061 V CB -0.676 31.178 31.823 0.051 0.000 0.648 1061 V HN 0.538 nan 8.190 nan 0.000 0.447 1062 E N -0.330 119.865 120.200 -0.008 0.000 2.118 1062 E HA -0.289 4.058 4.350 -0.004 0.000 0.195 1062 E C 2.330 178.866 176.600 -0.106 0.000 0.992 1062 E CA 1.315 57.685 56.400 -0.050 0.000 0.804 1062 E CB -0.200 29.475 29.700 -0.041 0.000 0.741 1062 E HN 0.577 nan 8.360 nan 0.000 0.458 1063 Q N 0.185 119.872 119.800 -0.187 0.000 2.096 1063 Q HA -0.206 4.132 4.340 -0.004 0.000 0.204 1063 Q C 2.037 177.969 176.000 -0.113 0.000 0.982 1063 Q CA 1.358 57.000 55.803 -0.269 0.000 0.850 1063 Q CB -0.165 28.236 28.738 -0.562 0.000 0.901 1063 Q HN 0.339 nan 8.270 nan 0.000 0.422 1064 F N 1.423 121.290 119.950 -0.137 0.000 2.134 1064 F HA -0.169 4.356 4.527 -0.003 0.000 0.299 1064 F C 1.925 177.683 175.800 -0.071 0.000 1.097 1064 F CA 1.617 59.563 58.000 -0.089 0.000 1.264 1064 F CB 0.068 39.035 39.000 -0.056 0.000 1.001 1064 F HN 0.119 nan 8.300 nan 0.000 0.479 1065 E N 0.222 120.290 120.200 -0.220 0.000 2.085 1065 E HA -0.258 4.090 4.350 -0.004 0.000 0.194 1065 E C 2.029 178.472 176.600 -0.260 0.000 0.994 1065 E CA 1.773 58.012 56.400 -0.268 0.000 0.801 1065 E CB -0.273 29.366 29.700 -0.103 0.000 0.743 1065 E HN 0.594 nan 8.360 nan 0.000 0.453 1066 E N 0.309 120.392 120.200 -0.195 0.000 2.118 1066 E HA -0.196 4.151 4.350 -0.004 0.000 0.195 1066 E C 2.068 178.559 176.600 -0.182 0.000 0.992 1066 E CA 1.148 57.453 56.400 -0.159 0.000 0.804 1066 E CB -0.058 29.562 29.700 -0.134 0.000 0.741 1066 E HN 0.274 nan 8.360 nan 0.000 0.458 1067 M N 0.040 119.498 119.600 -0.237 0.000 2.086 1067 M HA -0.161 4.317 4.480 -0.004 0.000 0.261 1067 M C 2.381 178.526 176.300 -0.257 0.000 1.067 1067 M CA 1.124 56.293 55.300 -0.219 0.000 1.116 1067 M CB -0.111 32.368 32.600 -0.202 0.000 1.348 1067 M HN 0.014 nan 8.290 nan 0.000 0.407 1068 V N -0.534 119.133 119.914 -0.413 0.000 2.343 1068 V HA -0.307 3.811 4.120 -0.004 0.000 0.247 1068 V C 2.449 178.437 176.094 -0.178 0.000 1.051 1068 V CA 1.754 63.855 62.300 -0.332 0.000 1.036 1068 V CB -0.681 30.874 31.823 -0.446 0.000 0.654 1068 V HN 0.680 nan 8.190 nan 0.000 0.451 1069 C N 0.993 120.196 119.300 -0.161 0.000 2.413 1069 C HA -0.175 4.283 4.460 -0.004 0.000 0.276 1069 C C 3.397 178.345 174.990 -0.071 0.000 1.248 1069 C CA 1.663 60.627 59.018 -0.089 0.000 1.742 1069 C CB -1.096 26.596 27.740 -0.081 0.000 2.017 1069 C HN 0.787 nan 8.230 nan 0.000 0.481 1070 S N 0.086 115.734 115.700 -0.087 0.000 2.382 1070 S HA -0.191 4.277 4.470 -0.004 0.000 0.228 1070 S C 1.837 176.404 174.600 -0.055 0.000 1.027 1070 S CA 1.860 60.022 58.200 -0.064 0.000 0.991 1070 S CB -0.784 62.377 63.200 -0.064 0.000 0.823 1070 S HN 0.763 nan 8.310 nan 0.000 0.469 1071 I N 0.773 121.300 120.570 -0.070 0.000 2.852 1071 I HA 0.027 4.195 4.170 -0.004 0.000 0.264 1071 I C 2.062 178.159 176.117 -0.034 0.000 1.179 1071 I CA 0.850 62.115 61.300 -0.058 0.000 1.480 1071 I CB -0.032 37.918 38.000 -0.084 0.000 1.111 1071 I HN 0.170 nan 8.210 nan 0.000 0.441 1072 E N 1.130 121.314 120.200 -0.026 0.000 2.285 1072 E HA -0.016 4.332 4.350 -0.004 0.000 0.194 1072 E C 1.463 178.066 176.600 0.005 0.000 0.997 1072 E CA 0.895 57.300 56.400 0.009 0.000 0.845 1072 E CB -0.152 29.565 29.700 0.029 0.000 0.782 1072 E HN 0.621 nan 8.360 nan 0.000 0.491 1073 G N 1.472 110.266 108.800 -0.009 0.000 2.198 1073 G HA2 -0.253 3.704 3.960 -0.004 0.000 0.257 1073 G HA3 -0.253 3.704 3.960 -0.004 0.000 0.257 1073 G C 0.345 175.243 174.900 -0.003 0.000 1.042 1073 G CA 0.381 45.477 45.100 -0.007 0.000 0.791 1073 G HN 0.515 nan 8.290 nan 0.000 0.502 1074 A N -0.778 122.040 122.820 -0.004 0.000 2.242 1074 A HA 0.950 5.268 4.320 -0.004 0.000 0.304 1074 A C 1.588 179.172 177.584 -0.000 0.000 1.100 1074 A CA 0.548 52.588 52.037 0.005 0.000 0.860 1074 A CB 0.750 19.759 19.000 0.014 0.000 1.168 1074 A HN 1.643 nan 8.150 nan 0.000 0.503 1075 A N -0.666 122.159 122.820 0.008 0.000 2.016 1075 A HA 0.492 4.810 4.320 -0.004 0.000 0.217 1075 A C 1.074 178.660 177.584 0.004 0.000 1.162 1075 A CA 1.435 53.475 52.037 0.005 0.000 0.662 1075 A CB -0.417 18.591 19.000 0.014 0.000 0.812 1075 A HN 2.147 nan 8.150 nan 0.000 0.450 1076 G N -2.260 106.547 108.800 0.012 0.000 2.579 1076 G HA2 0.490 4.448 3.960 -0.004 0.000 0.292 1076 G HA3 0.490 4.448 3.960 -0.004 0.000 0.292 1076 G C -1.215 173.697 174.900 0.019 0.000 1.484 1076 G CA -0.006 45.098 45.100 0.007 0.000 0.813 1076 G HN 0.233 nan 8.290 nan 0.000 0.515 1077 S N -1.142 114.557 115.700 -0.002 0.000 2.568 1077 S HA 0.896 5.364 4.470 -0.004 0.000 0.293 1077 S C -0.221 174.384 174.600 0.009 0.000 1.089 1077 S CA -0.161 58.047 58.200 0.014 0.000 0.945 1077 S CB 1.899 65.070 63.200 -0.047 0.000 1.077 1077 S HN 1.670 nan 8.310 nan 0.000 0.485 1078 A N 1.239 124.089 122.820 0.051 0.000 2.343 1078 A HA 0.846 5.164 4.320 -0.004 0.000 0.308 1078 A C -0.305 177.175 177.584 -0.173 0.000 1.092 1078 A CA -0.689 51.294 52.037 -0.091 0.000 0.751 1078 A CB 0.929 19.885 19.000 -0.073 0.000 1.203 1078 A HN 1.017 nan 8.150 nan 0.000 0.452 1079 A N 1.616 124.289 122.820 -0.245 0.000 2.293 1079 A HA 0.903 5.221 4.320 -0.004 0.000 0.302 1079 A C -0.775 176.512 177.584 -0.495 0.000 1.119 1079 A CA -0.167 51.813 52.037 -0.096 0.000 0.823 1079 A CB 0.219 19.319 19.000 0.166 0.000 1.097 1079 A HN 0.773 nan 8.150 nan 0.000 0.491 1080 F N -0.756 119.274 119.950 0.132 0.000 2.650 1080 F HA 0.535 5.059 4.527 -0.004 0.000 0.320 1080 F C 1.482 177.321 175.800 0.066 0.000 1.091 1080 F CA -0.051 58.006 58.000 0.095 0.000 0.962 1080 F CB 1.827 40.887 39.000 0.101 0.000 1.363 1080 F HN 0.612 nan 8.300 nan 0.000 0.482 1081 G N -0.282 108.665 108.800 0.246 0.000 2.559 1081 G HA2 0.270 4.228 3.960 -0.004 0.000 0.216 1081 G HA3 0.270 4.228 3.960 -0.004 0.000 0.216 1081 G C -0.155 174.818 174.900 0.122 0.000 1.126 1081 G CA 0.931 46.112 45.100 0.136 0.000 0.778 1081 G HN 0.669 nan 8.290 nan 0.000 0.543 1082 S N -3.601 112.197 115.700 0.163 0.000 2.578 1082 S HA 0.497 4.965 4.470 -0.004 0.000 0.272 1082 S C 1.028 175.685 174.600 0.095 0.000 1.145 1082 S CA 0.196 58.457 58.200 0.101 0.000 0.835 1082 S CB 0.984 64.222 63.200 0.064 0.000 1.104 1082 S HN 0.453 nan 8.310 nan 0.000 0.458 1083 G N 1.028 109.856 108.800 0.047 0.000 2.469 1083 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.219 1083 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.219 1083 G C 1.172 176.047 174.900 -0.041 0.000 1.150 1083 G CA 1.423 46.527 45.100 0.006 0.000 0.763 1083 G HN 0.578 nan 8.290 nan 0.000 0.561 1084 M N 1.138 120.721 119.600 -0.027 0.000 2.213 1084 M HA 0.006 4.483 4.480 -0.004 0.000 0.263 1084 M C 2.783 179.043 176.300 -0.067 0.000 1.062 1084 M CA 1.070 56.353 55.300 -0.027 0.000 1.105 1084 M CB -1.730 30.882 32.600 0.020 0.000 1.385 1084 M HN 0.269 nan 8.290 nan 0.000 0.417 1085 G N -0.183 108.583 108.800 -0.057 0.000 2.418 1085 G HA2 -0.073 3.885 3.960 -0.004 0.000 0.217 1085 G HA3 -0.073 3.885 3.960 -0.004 0.000 0.217 1085 G C 1.673 176.213 174.900 -0.601 0.000 1.158 1085 G CA 1.194 46.225 45.100 -0.115 0.000 0.771 1085 G HN 0.547 nan 8.290 nan 0.000 0.545 1086 A N 0.555 122.956 122.820 -0.698 0.000 1.930 1086 A HA 0.097 4.414 4.320 -0.004 0.000 0.217 1086 A C 2.399 179.722 177.584 -0.435 0.000 1.175 1086 A CA 1.207 52.647 52.037 -0.996 0.000 0.627 1086 A CB -0.300 18.532 19.000 -0.279 0.000 0.815 1086 A HN 0.380 nan 8.150 nan 0.000 0.443 1087 I N -0.645 119.811 120.570 -0.190 0.000 2.202 1087 I HA -0.198 3.970 4.170 -0.004 0.000 0.242 1087 I C 2.725 178.818 176.117 -0.040 0.000 1.091 1087 I CA 1.337 62.622 61.300 -0.027 0.000 1.368 1087 I CB -0.328 37.663 38.000 -0.014 0.000 1.058 1087 I HN 0.211 nan 8.210 nan 0.000 0.410 1088 S N 0.351 116.002 115.700 -0.082 0.000 2.374 1088 S HA -0.186 4.281 4.470 -0.004 0.000 0.227 1088 S C 2.118 176.601 174.600 -0.195 0.000 1.037 1088 S CA 1.912 60.085 58.200 -0.046 0.000 1.024 1088 S CB -0.201 63.011 63.200 0.021 0.000 0.861 1088 S HN 0.385 nan 8.310 nan 0.000 0.456 1089 S N 0.830 116.374 115.700 -0.260 0.000 2.489 1089 S HA 0.097 4.565 4.470 -0.004 0.000 0.228 1089 S C 1.760 176.174 174.600 -0.310 0.000 0.995 1089 S CA 0.325 58.305 58.200 -0.368 0.000 0.934 1089 S CB 0.002 63.175 63.200 -0.046 0.000 0.771 1089 S HN 0.396 nan 8.310 nan 0.000 0.522 1090 S N 0.853 116.478 115.700 -0.125 0.000 2.548 1090 S HA 0.032 4.499 4.470 -0.004 0.000 0.215 1090 S C 1.894 176.629 174.600 0.226 0.000 0.976 1090 S CA 0.822 59.091 58.200 0.115 0.000 0.908 1090 S CB 0.128 63.417 63.200 0.148 0.000 0.781 1090 S HN 0.814 nan 8.310 nan 0.000 0.519 1091 T N -0.447 114.152 114.554 0.074 0.000 3.138 1091 T HA 0.297 4.644 4.350 -0.004 0.000 0.245 1091 T C 1.547 176.240 174.700 -0.011 0.000 0.982 1091 T CA -0.140 62.024 62.100 0.106 0.000 1.134 1091 T CB -0.580 68.351 68.868 0.105 0.000 1.032 1091 T HN 0.186 nan 8.240 nan 0.000 0.442 1092 L N 1.478 122.586 121.223 -0.190 0.000 2.478 1092 L HA 0.320 4.657 4.340 -0.004 0.000 0.223 1092 L C 2.968 179.527 176.870 -0.519 0.000 1.140 1092 L CA 0.624 55.308 54.840 -0.259 0.000 0.842 1092 L CB -0.467 41.504 42.059 -0.146 0.000 0.953 1092 L HN 0.428 nan 8.230 nan 0.000 0.452 1093 A N -0.418 121.906 122.820 -0.827 0.000 2.066 1093 A HA -0.076 4.242 4.320 -0.004 0.000 0.218 1093 A C 1.771 178.940 177.584 -0.693 0.000 1.157 1093 A CA 1.277 52.833 52.037 -0.803 0.000 0.670 1093 A CB -0.333 18.113 19.000 -0.924 0.000 0.804 1093 A HN 0.397 nan 8.150 nan 0.000 0.453 1094 F N -1.086 118.814 119.950 -0.084 0.000 2.592 1094 F HA 0.354 4.879 4.527 -0.004 0.000 0.280 1094 F C 0.580 176.371 175.800 -0.016 0.000 1.083 1094 F CA -0.359 57.629 58.000 -0.020 0.000 1.365 1094 F CB 0.025 39.017 39.000 -0.013 0.000 1.100 1094 F HN -0.121 nan 8.300 nan 0.000 0.633 1095 L N 2.578 123.881 121.223 0.132 0.000 2.349 1095 L HA 0.297 4.634 4.340 -0.004 0.000 0.275 1095 L C -0.077 176.828 176.870 0.058 0.000 1.115 1095 L CA -0.229 54.656 54.840 0.074 0.000 0.820 1095 L CB 0.847 42.921 42.059 0.026 0.000 1.135 1095 L HN 0.223 nan 8.230 nan 0.000 0.445 1096 Q N 2.925 122.761 119.800 0.060 0.000 2.528 1096 Q HA 0.389 4.727 4.340 -0.004 0.000 0.289 1096 Q C -0.915 175.124 176.000 0.064 0.000 1.091 1096 Q CA -1.164 54.675 55.803 0.059 0.000 0.797 1096 Q CB 1.774 30.544 28.738 0.052 0.000 1.466 1096 Q HN 0.287 nan 8.270 nan 0.000 0.436 1097 K N -0.200 120.243 120.400 0.071 0.000 2.504 1097 K HA -0.033 4.285 4.320 -0.004 0.000 0.278 1097 K C 0.608 177.239 176.600 0.051 0.000 1.025 1097 K CA 2.120 58.449 56.287 0.070 0.000 1.093 1097 K CB -0.451 32.089 32.500 0.068 0.000 0.873 1097 K HN 0.965 nan 8.250 nan 0.000 0.483 1098 G N 3.610 112.437 108.800 0.045 0.000 2.234 1098 G HA2 -0.201 3.757 3.960 -0.004 0.000 0.235 1098 G HA3 -0.201 3.757 3.960 -0.004 0.000 0.235 1098 G C -0.179 174.745 174.900 0.039 0.000 0.997 1098 G CA 0.191 45.312 45.100 0.036 0.000 0.623 1098 G HN 0.679 nan 8.290 nan 0.000 0.514 1099 D N 0.207 120.633 120.400 0.043 0.000 2.344 1099 D HA 0.567 5.205 4.640 -0.004 0.000 0.244 1099 D C 0.163 176.498 176.300 0.058 0.000 1.134 1099 D CA 0.176 54.202 54.000 0.042 0.000 0.930 1099 D CB 1.055 41.872 40.800 0.028 0.000 1.175 1099 D HN 0.437 nan 8.370 nan 0.000 0.437 1100 H N 0.053 119.068 119.070 -0.092 0.000 2.538 1100 H HA 0.526 5.080 4.556 -0.004 0.000 0.353 1100 H C -1.605 173.604 175.328 -0.198 0.000 1.109 1100 H CA -0.937 55.027 56.048 -0.140 0.000 1.192 1100 H CB 0.934 30.607 29.762 -0.149 0.000 1.555 1100 H HN 0.158 nan 8.280 nan 0.000 0.518 1101 L N 5.863 126.688 121.223 -0.664 0.000 2.329 1101 L HA 0.536 4.874 4.340 -0.004 0.000 0.279 1101 L C -1.435 174.930 176.870 -0.841 0.000 1.014 1101 L CA -0.423 54.021 54.840 -0.660 0.000 0.814 1101 L CB 1.010 42.756 42.059 -0.522 0.000 1.257 1101 L HN 0.731 nan 8.230 nan 0.000 0.424 1102 I N 5.027 125.210 120.570 -0.644 0.000 2.354 1102 I HA 0.722 4.890 4.170 -0.004 0.000 0.292 1102 I C -0.062 175.922 176.117 -0.220 0.000 0.989 1102 I CA -0.321 60.732 61.300 -0.412 0.000 1.188 1102 I CB 1.580 39.372 38.000 -0.348 0.000 1.342 1102 I HN 0.847 nan 8.210 nan 0.000 0.457 1103 A N 4.476 127.231 122.820 -0.109 0.000 2.469 1103 A HA 0.828 5.145 4.320 -0.004 0.000 0.299 1103 A C 0.014 177.672 177.584 0.122 0.000 1.098 1103 A CA -0.627 51.457 52.037 0.078 0.000 0.737 1103 A CB 1.205 20.292 19.000 0.145 0.000 1.312 1103 A HN 0.744 nan 8.150 nan 0.000 0.414 1104 G N -0.022 108.892 108.800 0.190 0.000 2.559 1104 G HA2 0.321 4.279 3.960 -0.004 0.000 0.235 1104 G HA3 0.321 4.279 3.960 -0.004 0.000 0.235 1104 G C 0.264 175.240 174.900 0.126 0.000 1.266 1104 G CA 0.547 45.730 45.100 0.138 0.000 0.847 1104 G HN 0.844 nan 8.290 nan 0.000 0.583 1105 D N -1.059 119.393 120.400 0.085 0.000 2.347 1105 D HA -0.002 4.635 4.640 -0.004 0.000 0.213 1105 D C 0.820 177.160 176.300 0.066 0.000 0.985 1105 D CA 0.426 54.468 54.000 0.069 0.000 0.879 1105 D CB 0.109 40.938 40.800 0.048 0.000 0.919 1105 D HN 0.155 nan 8.370 nan 0.000 0.526 1106 T N 1.104 115.700 114.554 0.071 0.000 2.977 1106 T HA 0.504 4.851 4.350 -0.004 0.000 0.346 1106 T C -0.246 174.503 174.700 0.081 0.000 1.140 1106 T CA -0.593 61.543 62.100 0.060 0.000 1.040 1106 T CB 0.643 69.528 68.868 0.028 0.000 1.046 1106 T HN 0.032 nan 8.240 nan 0.000 0.494 1107 L N 1.663 122.951 121.223 0.108 0.000 2.333 1107 L HA 0.570 4.908 4.340 -0.004 0.000 0.263 1107 L C -0.280 176.674 176.870 0.140 0.000 1.014 1107 L CA -1.678 53.233 54.840 0.119 0.000 0.820 1107 L CB 1.431 43.545 42.059 0.092 0.000 1.352 1107 L HN 0.480 nan 8.230 nan 0.000 0.421 1108 Y N 0.859 121.164 120.300 0.009 0.000 2.987 1108 Y HA -0.108 4.440 4.550 -0.004 0.000 0.339 1108 Y C 1.310 177.112 175.900 -0.163 0.000 1.272 1108 Y CA 1.006 59.083 58.100 -0.037 0.000 1.562 1108 Y CB 1.034 39.470 38.460 -0.039 0.000 1.253 1108 Y HN 0.715 nan 8.280 nan 0.000 0.604 1109 G N 3.393 111.517 108.800 -1.127 0.000 2.469 1109 G HA2 -0.304 3.654 3.960 -0.004 0.000 0.219 1109 G HA3 -0.304 3.654 3.960 -0.004 0.000 0.219 1109 G C 1.453 176.011 174.900 -0.569 0.000 1.150 1109 G CA 1.128 45.712 45.100 -0.859 0.000 0.763 1109 G HN 0.802 nan 8.290 nan 0.000 0.561 1110 C N 0.485 119.408 119.300 -0.628 0.000 2.468 1110 C HA 0.089 4.546 4.460 -0.004 0.000 0.277 1110 C C 3.153 178.060 174.990 -0.139 0.000 1.400 1110 C CA 1.161 60.059 59.018 -0.199 0.000 1.770 1110 C CB -0.896 26.862 27.740 0.031 0.000 1.905 1110 C HN 0.444 nan 8.230 nan 0.000 0.519 1111 T N 1.252 115.718 114.554 -0.146 0.000 2.746 1111 T HA -0.139 4.209 4.350 -0.004 0.000 0.267 1111 T C 1.914 176.275 174.700 -0.566 0.000 1.039 1111 T CA 1.568 63.397 62.100 -0.452 0.000 1.142 1111 T CB -0.297 68.331 68.868 -0.400 0.000 0.866 1111 T HN 0.366 nan 8.240 nan 0.000 0.444 1112 V N 1.422 121.151 119.914 -0.309 0.000 2.332 1112 V HA -0.196 3.922 4.120 -0.004 0.000 0.248 1112 V C 2.716 178.743 176.094 -0.112 0.000 1.055 1112 V CA 2.037 64.236 62.300 -0.168 0.000 1.038 1112 V CB -0.909 30.842 31.823 -0.121 0.000 0.651 1112 V HN 0.509 nan 8.190 nan 0.000 0.450 1113 S N -0.282 115.342 115.700 -0.126 0.000 2.356 1113 S HA -0.191 4.276 4.470 -0.004 0.000 0.223 1113 S C 1.950 176.591 174.600 0.069 0.000 1.032 1113 S CA 1.941 60.112 58.200 -0.047 0.000 1.005 1113 S CB -0.354 62.820 63.200 -0.043 0.000 0.867 1113 S HN 0.436 nan 8.310 nan 0.000 0.449 1114 L N 0.874 122.141 121.223 0.073 0.000 2.012 1114 L HA 0.042 4.380 4.340 -0.004 0.000 0.210 1114 L C 2.046 179.102 176.870 0.311 0.000 1.073 1114 L CA 2.010 56.995 54.840 0.242 0.000 0.748 1114 L CB -0.887 41.189 42.059 0.028 0.000 0.891 1114 L HN 0.499 nan 8.230 nan 0.000 0.431 1115 F N -0.981 118.965 119.950 -0.006 0.000 2.259 1115 F HA -0.159 4.366 4.527 -0.004 0.000 0.298 1115 F C 2.310 178.072 175.800 -0.064 0.000 1.088 1115 F CA 0.902 58.866 58.000 -0.060 0.000 1.358 1115 F CB -0.390 38.542 39.000 -0.114 0.000 1.040 1115 F HN 0.334 nan 8.300 nan 0.000 0.505 1116 T N -4.237 110.397 114.554 0.134 0.000 3.040 1116 T HA -0.073 4.275 4.350 -0.004 0.000 0.252 1116 T C 1.661 176.327 174.700 -0.056 0.000 1.064 1116 T CA 0.609 62.723 62.100 0.024 0.000 1.110 1116 T CB -0.330 68.542 68.868 0.007 0.000 0.921 1116 T HN 0.331 nan 8.240 nan 0.000 0.480 1117 H N -0.855 118.091 119.070 -0.207 0.000 2.379 1117 H HA 0.142 4.696 4.556 -0.004 0.000 0.308 1117 H C 1.554 176.539 175.328 -0.572 0.000 1.047 1117 H CA 0.644 56.412 56.048 -0.467 0.000 1.371 1117 H CB 0.076 29.418 29.762 -0.700 0.000 1.449 1117 H HN 0.440 nan 8.280 nan 0.000 0.564 1118 W N 0.615 121.800 121.300 -0.192 0.000 2.480 1118 W HA 0.006 4.664 4.660 -0.003 0.000 0.299 1118 W C 2.413 178.575 176.519 -0.596 0.000 1.187 1118 W CA -0.310 56.781 57.345 -0.424 0.000 1.347 1118 W CB -0.380 28.991 29.460 -0.149 0.000 1.121 1118 W HN 0.076 nan 8.180 nan 0.000 0.533 1119 L N 0.564 121.782 121.223 -0.009 0.000 2.013 1119 L HA -0.182 4.156 4.340 -0.004 0.000 0.212 1119 L C -0.576 176.235 176.870 -0.097 0.000 1.073 1119 L CA 2.221 57.066 54.840 0.009 0.000 0.753 1119 L CB -2.191 39.904 42.059 0.059 0.000 0.890 1119 L HN -0.169 nan 8.230 nan 0.000 0.432 1120 P HA -0.137 nan 4.420 nan 0.000 0.218 1120 P C 1.359 178.552 177.300 -0.179 0.000 1.149 1120 P CA 1.253 64.272 63.100 -0.135 0.000 0.817 1120 P CB -0.031 31.581 31.700 -0.147 0.000 0.785 1121 R N -1.447 118.841 120.500 -0.353 0.000 2.241 1121 R HA -0.019 4.319 4.340 -0.004 0.000 0.224 1121 R C 1.351 177.574 176.300 -0.129 0.000 1.101 1121 R CA 0.960 56.860 56.100 -0.334 0.000 0.995 1121 R CB -0.625 29.377 30.300 -0.496 0.000 0.870 1121 R HN 0.317 nan 8.270 nan 0.000 0.463 1122 F N -0.554 119.423 119.950 0.045 0.000 2.660 1122 F HA 0.267 4.791 4.527 -0.004 0.000 0.302 1122 F C 1.357 177.172 175.800 0.026 0.000 1.103 1122 F CA -0.155 57.874 58.000 0.048 0.000 1.340 1122 F CB 0.957 39.999 39.000 0.069 0.000 1.048 1122 F HN 0.141 nan 8.300 nan 0.000 0.551 1123 G N 1.578 110.458 108.800 0.133 0.000 2.143 1123 G HA2 -0.310 3.647 3.960 -0.004 0.000 0.249 1123 G HA3 -0.310 3.647 3.960 -0.004 0.000 0.249 1123 G C 0.041 174.980 174.900 0.066 0.000 0.981 1123 G CA -0.340 44.808 45.100 0.080 0.000 0.665 1123 G HN 0.336 nan 8.290 nan 0.000 0.528 1124 I N 1.274 121.885 120.570 0.070 0.000 2.342 1124 I HA 0.324 4.491 4.170 -0.004 0.000 0.291 1124 I C 0.513 176.633 176.117 0.006 0.000 1.010 1124 I CA -0.497 60.826 61.300 0.039 0.000 1.308 1124 I CB 1.029 39.056 38.000 0.044 0.000 1.400 1124 I HN 0.119 nan 8.210 nan 0.000 0.488 1125 E N 5.389 125.605 120.200 0.026 0.000 2.283 1125 E HA 0.467 4.815 4.350 -0.004 0.000 0.278 1125 E C -1.101 175.523 176.600 0.040 0.000 1.027 1125 E CA -0.501 55.936 56.400 0.062 0.000 0.843 1125 E CB 1.899 31.671 29.700 0.119 0.000 1.062 1125 E HN 0.265 nan 8.360 nan 0.000 0.401 1126 V N 3.504 123.418 119.914 0.001 0.000 2.638 1126 V HA 0.265 4.383 4.120 -0.004 0.000 0.306 1126 V C -0.722 175.355 176.094 -0.029 0.000 1.052 1126 V CA -0.914 61.321 62.300 -0.109 0.000 0.885 1126 V CB 2.047 33.792 31.823 -0.131 0.000 0.999 1126 V HN 0.666 nan 8.190 nan 0.000 0.424 1127 D N 4.190 124.550 120.400 -0.066 0.000 2.505 1127 D HA 0.529 5.166 4.640 -0.004 0.000 0.249 1127 D C -0.758 175.526 176.300 -0.027 0.000 1.082 1127 D CA -0.294 53.710 54.000 0.006 0.000 0.839 1127 D CB 2.825 43.683 40.800 0.096 0.000 1.317 1127 D HN 0.327 nan 8.370 nan 0.000 0.497 1128 L N 3.169 124.399 121.223 0.013 0.000 2.264 1128 L HA 0.460 4.798 4.340 -0.004 0.000 0.289 1128 L C -0.238 176.654 176.870 0.036 0.000 1.044 1128 L CA -0.561 54.300 54.840 0.036 0.000 0.807 1128 L CB 0.916 43.008 42.059 0.055 0.000 1.192 1128 L HN 0.146 nan 8.230 nan 0.000 0.425 1129 I N 1.914 122.508 120.570 0.040 0.000 2.828 1129 I HA 0.210 4.378 4.170 -0.004 0.000 0.302 1129 I C -0.312 175.832 176.117 0.046 0.000 1.101 1129 I CA -0.663 60.661 61.300 0.041 0.000 1.031 1129 I CB 2.246 40.271 38.000 0.040 0.000 1.231 1129 I HN 0.481 nan 8.210 nan 0.000 0.427 1130 D N 2.549 122.974 120.400 0.041 0.000 2.383 1130 D HA 0.065 4.702 4.640 -0.004 0.000 0.245 1130 D C 1.169 177.495 176.300 0.045 0.000 1.263 1130 D CA 0.039 54.063 54.000 0.040 0.000 0.936 1130 D CB 0.618 41.435 40.800 0.029 0.000 1.053 1130 D HN 0.623 nan 8.370 nan 0.000 0.507 1131 T N -0.379 114.206 114.554 0.051 0.000 3.160 1131 T HA -0.103 4.245 4.350 -0.004 0.000 0.257 1131 T C 1.693 176.420 174.700 0.046 0.000 1.147 1131 T CA 0.536 62.668 62.100 0.054 0.000 1.064 1131 T CB -0.308 68.595 68.868 0.058 0.000 0.949 1131 T HN 0.259 nan 8.240 nan 0.000 0.526 1132 S N 0.396 116.120 115.700 0.040 0.000 2.555 1132 S HA -0.005 4.463 4.470 -0.004 0.000 0.230 1132 S C 0.445 175.059 174.600 0.024 0.000 0.978 1132 S CA 0.071 58.290 58.200 0.031 0.000 0.934 1132 S CB -0.291 62.922 63.200 0.022 0.000 0.766 1132 S HN 0.498 nan 8.310 nan 0.000 0.533 1133 D N 0.895 121.312 120.400 0.028 0.000 2.462 1133 D HA 0.255 4.893 4.640 -0.004 0.000 0.245 1133 D C 0.710 177.032 176.300 0.036 0.000 1.122 1133 D CA -0.535 53.480 54.000 0.025 0.000 0.864 1133 D CB 1.726 42.539 40.800 0.021 0.000 1.098 1133 D HN -0.056 nan 8.370 nan 0.000 0.541 1134 V N 4.558 124.490 119.914 0.030 0.000 2.469 1134 V HA -0.170 3.948 4.120 -0.004 0.000 0.251 1134 V C 1.660 177.779 176.094 0.042 0.000 1.064 1134 V CA 1.769 64.091 62.300 0.037 0.000 1.066 1134 V CB -0.089 31.744 31.823 0.016 0.000 0.667 1134 V HN 0.480 nan 8.190 nan 0.000 0.461 1135 E N 0.178 120.396 120.200 0.030 0.000 2.153 1135 E HA -0.204 4.144 4.350 -0.004 0.000 0.194 1135 E C 2.196 178.827 176.600 0.051 0.000 0.988 1135 E CA 1.271 57.689 56.400 0.031 0.000 0.811 1135 E CB -0.247 29.464 29.700 0.018 0.000 0.746 1135 E HN 0.651 nan 8.360 nan 0.000 0.466 1136 K N 0.410 120.842 120.400 0.054 0.000 2.103 1136 K HA -0.015 4.302 4.320 -0.004 0.000 0.204 1136 K C 2.239 178.898 176.600 0.097 0.000 1.052 1136 K CA 0.665 56.990 56.287 0.063 0.000 0.945 1136 K CB 0.034 32.563 32.500 0.049 0.000 0.722 1136 K HN -0.059 nan 8.250 nan 0.000 0.443 1137 V N 2.092 122.076 119.914 0.116 0.000 2.295 1137 V HA -0.273 3.844 4.120 -0.004 0.000 0.246 1137 V C 2.076 178.354 176.094 0.307 0.000 1.049 1137 V CA 1.764 64.178 62.300 0.191 0.000 1.024 1137 V CB -0.391 31.553 31.823 0.201 0.000 0.648 1137 V HN 0.288 nan 8.190 nan 0.000 0.447 1138 K N 0.229 120.759 120.400 0.218 0.000 2.057 1138 K HA -0.099 4.219 4.320 -0.004 0.000 0.207 1138 K C 2.262 178.981 176.600 0.198 0.000 1.049 1138 K CA 1.447 57.847 56.287 0.188 0.000 0.931 1138 K CB -0.404 32.118 32.500 0.036 0.000 0.714 1138 K HN 0.476 nan 8.250 nan 0.000 0.440 1139 A N 1.154 124.056 122.820 0.137 0.000 2.015 1139 A HA -0.030 4.288 4.320 -0.004 0.000 0.219 1139 A C 2.170 179.829 177.584 0.125 0.000 1.163 1139 A CA 1.591 53.692 52.037 0.106 0.000 0.646 1139 A CB -0.368 18.672 19.000 0.068 0.000 0.806 1139 A HN 0.319 nan 8.150 nan 0.000 0.448 1140 A N -2.112 120.801 122.820 0.156 0.000 2.208 1140 A HA 0.119 4.436 4.320 -0.004 0.000 0.209 1140 A C 0.790 178.481 177.584 0.179 0.000 1.161 1140 A CA -0.405 51.715 52.037 0.139 0.000 0.782 1140 A CB -0.312 18.760 19.000 0.120 0.000 0.816 1140 A HN 0.647 nan 8.150 nan 0.000 0.477 1141 W N 1.889 123.229 121.300 0.066 0.000 2.210 1141 W HA 0.279 4.937 4.660 -0.004 0.000 0.330 1141 W C -0.329 176.201 176.519 0.018 0.000 1.334 1141 W CA 0.599 57.987 57.345 0.073 0.000 1.227 1141 W CB 0.440 29.925 29.460 0.041 0.000 1.178 1141 W HN 0.137 nan 8.180 nan 0.000 0.560 1142 K N 4.637 125.100 120.400 0.104 0.000 2.400 1142 K HA 0.272 4.590 4.320 -0.004 0.000 0.246 1142 K C -1.785 174.898 176.600 0.138 0.000 0.995 1142 K CA -1.636 54.674 56.287 0.037 0.000 0.840 1142 K CB 1.658 34.020 32.500 -0.230 0.000 1.293 1142 K HN 0.002 nan 8.250 nan 0.000 0.445 1143 P HA -0.171 nan 4.420 nan 0.000 0.219 1143 P C 0.348 177.706 177.300 0.096 0.000 1.146 1143 P CA 1.295 64.461 63.100 0.109 0.000 0.808 1143 P CB 0.092 31.827 31.700 0.058 0.000 0.779 1144 N N -2.234 116.495 118.700 0.047 0.000 2.268 1144 N HA 0.006 4.744 4.740 -0.004 0.000 0.204 1144 N C -0.377 175.165 175.510 0.054 0.000 1.124 1144 N CA 0.225 53.303 53.050 0.047 0.000 0.838 1144 N CB -1.029 37.474 38.487 0.027 0.000 0.994 1144 N HN -0.092 nan 8.380 nan 0.000 0.489 1145 T N 1.708 116.278 114.554 0.028 0.000 2.829 1145 T HA 0.087 4.434 4.350 -0.004 0.000 0.293 1145 T C 0.954 175.598 174.700 -0.093 0.000 0.970 1145 T CA 0.091 62.121 62.100 -0.115 0.000 1.168 1145 T CB 1.128 69.612 68.868 -0.640 0.000 0.911 1145 T HN 0.096 nan 8.240 nan 0.000 0.535 1146 K N 2.134 122.463 120.400 -0.118 0.000 2.412 1146 K HA 0.331 4.649 4.320 -0.004 0.000 0.202 1146 K C 0.190 176.736 176.600 -0.091 0.000 1.102 1146 K CA 0.142 56.398 56.287 -0.051 0.000 1.027 1146 K CB 0.753 33.246 32.500 -0.012 0.000 0.931 1146 K HN 0.615 nan 8.250 nan 0.000 0.557 1147 M N 0.653 120.136 119.600 -0.194 0.000 2.414 1147 M HA 0.263 4.741 4.480 -0.004 0.000 0.287 1147 M C -1.900 174.250 176.300 -0.251 0.000 1.181 1147 M CA -0.615 54.583 55.300 -0.170 0.000 0.933 1147 M CB 2.252 34.775 32.600 -0.129 0.000 1.732 1147 M HN -0.298 nan 8.290 nan 0.000 0.486 1148 V N 3.811 123.636 119.914 -0.148 0.000 2.495 1148 V HA 0.486 4.604 4.120 -0.004 0.000 0.298 1148 V C -1.608 174.488 176.094 0.003 0.000 1.031 1148 V CA -0.567 61.665 62.300 -0.112 0.000 0.871 1148 V CB 1.778 33.568 31.823 -0.054 0.000 0.988 1148 V HN 0.769 nan 8.190 nan 0.000 0.432 1149 Y N 5.653 125.903 120.300 -0.084 0.000 2.331 1149 Y HA 0.750 5.298 4.550 -0.004 0.000 0.334 1149 Y C -0.911 175.021 175.900 0.054 0.000 0.960 1149 Y CA -0.686 57.421 58.100 0.012 0.000 1.130 1149 Y CB 1.295 39.798 38.460 0.072 0.000 1.164 1149 Y HN 0.528 nan 8.280 nan 0.000 0.458 1150 L N 5.331 126.390 121.223 -0.273 0.000 2.354 1150 L HA 0.582 4.919 4.340 -0.004 0.000 0.269 1150 L C -0.830 175.910 176.870 -0.217 0.000 1.005 1150 L CA -0.974 53.793 54.840 -0.122 0.000 0.819 1150 L CB 2.360 44.371 42.059 -0.080 0.000 1.311 1150 L HN 0.564 nan 8.230 nan 0.000 0.423 1151 E N 1.370 121.547 120.200 -0.039 0.000 2.216 1151 E HA 0.465 4.812 4.350 -0.004 0.000 0.260 1151 E C -1.562 175.035 176.600 -0.005 0.000 0.880 1151 E CA -0.161 56.218 56.400 -0.035 0.000 0.765 1151 E CB 2.096 31.818 29.700 0.036 0.000 1.174 1151 E HN 0.455 nan 8.360 nan 0.000 0.417 1152 S N 4.472 120.177 115.700 0.008 0.000 2.614 1152 S HA 0.515 4.983 4.470 -0.004 0.000 0.275 1152 S C -2.793 171.871 174.600 0.107 0.000 1.161 1152 S CA -1.422 56.812 58.200 0.057 0.000 0.969 1152 S CB 1.288 64.522 63.200 0.057 0.000 1.059 1152 S HN 0.252 nan 8.310 nan 0.000 0.482 1153 P HA 0.328 nan 4.420 nan 0.000 0.271 1153 P C -0.919 176.395 177.300 0.023 0.000 1.218 1153 P CA -0.260 62.940 63.100 0.167 0.000 0.780 1153 P CB 0.495 32.349 31.700 0.257 0.000 0.901 1154 A N 2.508 125.317 122.820 -0.019 0.000 2.386 1154 A HA 0.236 4.553 4.320 -0.004 0.000 0.248 1154 A C 0.389 177.711 177.584 -0.436 0.000 1.082 1154 A CA -0.149 51.800 52.037 -0.146 0.000 0.789 1154 A CB -0.253 18.731 19.000 -0.027 0.000 1.025 1154 A HN 0.561 nan 8.150 nan 0.000 0.490 1155 N N 1.794 120.173 118.700 -0.536 0.000 2.426 1155 N HA 0.374 5.112 4.740 -0.004 0.000 0.257 1155 N C -2.204 173.205 175.510 -0.167 0.000 1.002 1155 N CA -2.112 50.561 53.050 -0.627 0.000 0.942 1155 N CB 1.536 39.749 38.487 -0.457 0.000 1.112 1155 N HN 0.295 nan 8.380 nan 0.000 0.499 1156 P HA 0.141 nan 4.420 nan 0.000 0.282 1156 P C 0.561 177.878 177.300 0.029 0.000 1.327 1156 P CA 0.248 63.313 63.100 -0.057 0.000 0.949 1156 P CB 0.286 31.935 31.700 -0.085 0.000 1.445 1157 T N -4.221 110.322 114.554 -0.017 0.000 3.113 1157 T HA 0.022 4.370 4.350 -0.004 0.000 0.256 1157 T C 1.058 175.880 174.700 0.204 0.000 1.131 1157 T CA 0.396 62.549 62.100 0.088 0.000 1.074 1157 T CB -1.541 67.365 68.868 0.064 0.000 0.944 1157 T HN 0.046 nan 8.240 nan 0.000 0.516 1158 C N 0.862 120.263 119.300 0.167 0.000 4.400 1158 C HA -0.140 4.318 4.460 -0.004 0.000 0.275 1158 C C 0.728 175.930 174.990 0.354 0.000 1.391 1158 C CA 0.255 59.396 59.018 0.204 0.000 1.816 1158 C CB -2.666 25.090 27.740 0.026 0.000 1.404 1158 C HN 0.816 nan 8.230 nan 0.000 0.754 1159 K N 0.859 121.441 120.400 0.304 0.000 2.491 1159 K HA 0.235 4.552 4.320 -0.004 0.000 0.279 1159 K C 0.114 176.844 176.600 0.218 0.000 1.026 1159 K CA 0.350 56.792 56.287 0.259 0.000 1.070 1159 K CB 0.465 33.040 32.500 0.124 0.000 0.887 1159 K HN 0.335 nan 8.250 nan 0.000 0.481 1160 V N 3.908 123.961 119.914 0.232 0.000 2.509 1160 V HA 0.163 4.280 4.120 -0.004 0.000 0.284 1160 V C -0.120 176.035 176.094 0.102 0.000 1.047 1160 V CA -0.468 61.942 62.300 0.183 0.000 0.952 1160 V CB 1.636 33.593 31.823 0.224 0.000 0.988 1160 V HN 0.802 nan 8.190 nan 0.000 0.469 1161 S N 2.245 117.994 115.700 0.082 0.000 2.537 1161 S HA 0.311 4.778 4.470 -0.004 0.000 0.301 1161 S C -0.392 174.235 174.600 0.045 0.000 1.092 1161 S CA -0.550 57.683 58.200 0.054 0.000 1.048 1161 S CB 1.470 64.697 63.200 0.045 0.000 1.053 1161 S HN 0.851 nan 8.310 nan 0.000 0.501 1162 D N 1.923 122.343 120.400 0.033 0.000 2.435 1162 D HA 0.191 4.828 4.640 -0.004 0.000 0.230 1162 D C 0.943 177.250 176.300 0.012 0.000 1.215 1162 D CA -0.123 53.890 54.000 0.022 0.000 0.947 1162 D CB -0.180 40.629 40.800 0.015 0.000 1.048 1162 D HN 0.434 nan 8.370 nan 0.000 0.512 1163 I N 2.688 123.264 120.570 0.010 0.000 2.179 1163 I HA -0.234 3.934 4.170 -0.004 0.000 0.242 1163 I C 2.412 178.520 176.117 -0.016 0.000 1.088 1163 I CA 0.820 62.119 61.300 -0.003 0.000 1.357 1163 I CB -0.008 37.992 38.000 -0.000 0.000 1.051 1163 I HN 0.327 nan 8.210 nan 0.000 0.409 1164 K N 0.831 121.225 120.400 -0.009 0.000 2.057 1164 K HA -0.137 4.180 4.320 -0.004 0.000 0.207 1164 K C 2.115 178.693 176.600 -0.038 0.000 1.049 1164 K CA 1.508 57.787 56.287 -0.015 0.000 0.931 1164 K CB -0.324 32.176 32.500 -0.000 0.000 0.714 1164 K HN 0.402 nan 8.250 nan 0.000 0.440 1165 G N 0.952 109.735 108.800 -0.028 0.000 2.402 1165 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.216 1165 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.216 1165 G C 1.464 176.331 174.900 -0.054 0.000 1.162 1165 G CA 0.627 45.705 45.100 -0.036 0.000 0.777 1165 G HN 0.207 nan 8.290 nan 0.000 0.539 1166 I N 1.352 121.902 120.570 -0.034 0.000 2.252 1166 I HA -0.131 4.037 4.170 -0.004 0.000 0.245 1166 I C 3.283 179.350 176.117 -0.083 0.000 1.102 1166 I CA 0.814 62.106 61.300 -0.012 0.000 1.385 1166 I CB -0.180 37.839 38.000 0.031 0.000 1.064 1166 I HN 0.234 nan 8.210 nan 0.000 0.414 1167 A N 0.622 123.348 122.820 -0.156 0.000 1.917 1167 A HA -0.187 4.131 4.320 -0.004 0.000 0.219 1167 A C 2.438 179.596 177.584 -0.710 0.000 1.182 1167 A CA 1.940 53.738 52.037 -0.398 0.000 0.633 1167 A CB -1.041 17.776 19.000 -0.305 0.000 0.819 1167 A HN 0.249 nan 8.150 nan 0.000 0.448 1168 V N -0.303 119.392 119.914 -0.366 0.000 2.282 1168 V HA -0.289 3.829 4.120 -0.004 0.000 0.249 1168 V C 2.580 178.544 176.094 -0.217 0.000 1.057 1168 V CA 2.227 64.392 62.300 -0.225 0.000 1.032 1168 V CB -0.955 30.809 31.823 -0.098 0.000 0.645 1168 V HN 0.405 nan 8.190 nan 0.000 0.447 1169 V N -1.073 118.704 119.914 -0.229 0.000 2.295 1169 V HA -0.285 3.833 4.120 -0.004 0.000 0.246 1169 V C 2.555 178.459 176.094 -0.316 0.000 1.049 1169 V CA 2.140 64.235 62.300 -0.341 0.000 1.024 1169 V CB -0.907 30.659 31.823 -0.428 0.000 0.648 1169 V HN 0.648 nan 8.190 nan 0.000 0.447 1170 C N 0.017 119.266 119.300 -0.084 0.000 2.398 1170 C HA -0.230 4.228 4.460 -0.004 0.000 0.276 1170 C C 2.572 177.629 174.990 0.110 0.000 1.222 1170 C CA 1.513 60.620 59.018 0.148 0.000 1.746 1170 C CB -1.498 26.309 27.740 0.112 0.000 2.039 1170 C HN 0.673 nan 8.230 nan 0.000 0.470 1171 H N 0.102 119.183 119.070 0.017 0.000 2.387 1171 H HA -0.118 4.436 4.556 -0.004 0.000 0.299 1171 H C 2.164 177.479 175.328 -0.022 0.000 1.090 1171 H CA 1.271 57.318 56.048 -0.001 0.000 1.332 1171 H CB -0.119 29.635 29.762 -0.012 0.000 1.386 1171 H HN 0.616 nan 8.280 nan 0.000 0.516 1172 E N 0.549 120.771 120.200 0.038 0.000 2.274 1172 E HA -0.059 4.289 4.350 -0.004 0.000 0.194 1172 E C 1.461 178.039 176.600 -0.037 0.000 0.996 1172 E CA 0.502 56.886 56.400 -0.026 0.000 0.840 1172 E CB 0.253 29.893 29.700 -0.099 0.000 0.772 1172 E HN 0.432 nan 8.360 nan 0.000 0.491 1173 R N -0.902 119.583 120.500 -0.026 0.000 2.476 1173 R HA 0.168 4.506 4.340 -0.004 0.000 0.276 1173 R C 0.548 176.945 176.300 0.162 0.000 0.941 1173 R CA 0.406 56.521 56.100 0.025 0.000 1.088 1173 R CB 1.338 31.561 30.300 -0.128 0.000 1.216 1173 R HN 0.133 nan 8.270 nan 0.000 0.533 1174 G N 1.342 110.228 108.800 0.143 0.000 2.182 1174 G HA2 -0.279 3.678 3.960 -0.004 0.000 0.248 1174 G HA3 -0.279 3.678 3.960 -0.004 0.000 0.248 1174 G C -0.065 174.930 174.900 0.159 0.000 1.042 1174 G CA 0.213 45.392 45.100 0.132 0.000 0.775 1174 G HN 0.456 nan 8.290 nan 0.000 0.501 1175 A N -0.184 122.771 122.820 0.225 0.000 2.324 1175 A HA 0.855 5.172 4.320 -0.004 0.000 0.330 1175 A C 0.605 178.247 177.584 0.096 0.000 1.165 1175 A CA -0.603 51.538 52.037 0.173 0.000 0.813 1175 A CB 0.823 19.996 19.000 0.289 0.000 1.197 1175 A HN 0.456 nan 8.150 nan 0.000 0.484 1176 R N 0.385 120.881 120.500 -0.006 0.000 2.490 1176 R HA 0.325 4.663 4.340 -0.004 0.000 0.280 1176 R C -0.979 175.304 176.300 -0.029 0.000 1.077 1176 R CA -0.457 55.607 56.100 -0.060 0.000 1.065 1176 R CB 0.783 30.952 30.300 -0.218 0.000 1.003 1176 R HN 0.556 nan 8.270 nan 0.000 0.470 1177 L N 3.879 125.097 121.223 -0.009 0.000 2.287 1177 L HA 0.344 4.681 4.340 -0.004 0.000 0.287 1177 L C -1.091 175.750 176.870 -0.047 0.000 1.022 1177 L CA -0.395 54.436 54.840 -0.016 0.000 0.814 1177 L CB 1.770 43.828 42.059 -0.001 0.000 1.217 1177 L HN 0.257 nan 8.230 nan 0.000 0.420 1178 V N 5.878 125.750 119.914 -0.070 0.000 2.459 1178 V HA 0.600 4.718 4.120 -0.004 0.000 0.295 1178 V C -0.464 175.459 176.094 -0.286 0.000 1.029 1178 V CA -0.655 61.579 62.300 -0.111 0.000 0.874 1178 V CB 1.829 33.664 31.823 0.020 0.000 0.985 1178 V HN 0.524 nan 8.190 nan 0.000 0.438 1179 V N 3.234 122.994 119.914 -0.258 0.000 2.531 1179 V HA 0.397 4.515 4.120 -0.004 0.000 0.301 1179 V C -0.577 175.329 176.094 -0.314 0.000 1.034 1179 V CA -0.617 61.500 62.300 -0.304 0.000 0.865 1179 V CB 2.019 33.745 31.823 -0.162 0.000 0.995 1179 V HN 0.903 nan 8.190 nan 0.000 0.424 1180 D N 4.180 124.357 120.400 -0.372 0.000 2.365 1180 D HA 0.450 5.088 4.640 -0.004 0.000 0.237 1180 D C 0.508 176.700 176.300 -0.180 0.000 1.190 1180 D CA -0.181 53.676 54.000 -0.238 0.000 0.867 1180 D CB 1.829 42.560 40.800 -0.114 0.000 1.050 1180 D HN 0.650 nan 8.370 nan 0.000 0.491 1181 A N 3.278 125.925 122.820 -0.288 0.000 2.545 1181 A HA 0.132 4.450 4.320 -0.004 0.000 0.277 1181 A C 1.793 179.421 177.584 0.074 0.000 1.301 1181 A CA -0.237 51.721 52.037 -0.132 0.000 0.935 1181 A CB -0.084 18.836 19.000 -0.132 0.000 1.093 1181 A HN 0.566 nan 8.150 nan 0.000 0.519 1182 T N -0.221 114.398 114.554 0.108 0.000 2.653 1182 T HA -0.204 4.144 4.350 -0.004 0.000 0.268 1182 T C 1.373 176.355 174.700 0.470 0.000 1.035 1182 T CA 1.880 64.184 62.100 0.341 0.000 1.154 1182 T CB -0.409 68.589 68.868 0.218 0.000 0.862 1182 T HN 0.476 nan 8.240 nan 0.000 0.441 1183 F N 1.387 121.458 119.950 0.201 0.000 2.408 1183 F HA -0.030 4.495 4.527 -0.004 0.000 0.300 1183 F C 2.330 178.244 175.800 0.190 0.000 1.090 1183 F CA 0.790 58.936 58.000 0.243 0.000 1.427 1183 F CB -0.304 38.794 39.000 0.164 0.000 1.070 1183 F HN 0.154 nan 8.300 nan 0.000 0.549 1184 T N -1.912 112.792 114.554 0.250 0.000 2.964 1184 T HA 0.168 4.516 4.350 -0.004 0.000 0.249 1184 T C 0.276 174.979 174.700 0.004 0.000 1.000 1184 T CA 0.695 62.862 62.100 0.111 0.000 0.992 1184 T CB -0.087 68.891 68.868 0.183 0.000 1.087 1184 T HN 0.252 nan 8.240 nan 0.000 0.489 1185 S N 1.478 117.234 115.700 0.093 0.000 3.461 1185 S HA -0.069 4.399 4.470 -0.004 0.000 0.820 1185 S C -2.672 171.939 174.600 0.018 0.000 1.142 1185 S CA -0.105 58.099 58.200 0.006 0.000 1.078 1185 S CB -1.141 61.919 63.200 -0.233 0.000 0.674 1185 S HN 0.161 nan 8.310 nan 0.000 0.333 1186 P HA 0.167 nan 4.420 nan 0.000 0.237 1186 P C 1.510 178.740 177.300 -0.116 0.000 1.178 1186 P CA 1.015 64.097 63.100 -0.031 0.000 0.766 1186 P CB -0.579 31.056 31.700 -0.108 0.000 0.876 1187 C N -1.594 117.538 119.300 -0.280 0.000 2.422 1187 C HA -0.002 4.456 4.460 -0.004 0.000 0.279 1187 C C 2.336 177.148 174.990 -0.298 0.000 1.305 1187 C CA 0.780 59.540 59.018 -0.430 0.000 1.757 1187 C CB -1.945 25.271 27.740 -0.873 0.000 1.962 1187 C HN 0.208 nan 8.230 nan 0.000 0.499 1188 F N -1.696 118.222 119.950 -0.053 0.000 2.740 1188 F HA 0.362 4.887 4.527 -0.004 0.000 0.304 1188 F C 0.331 176.094 175.800 -0.062 0.000 1.098 1188 F CA -0.440 57.511 58.000 -0.081 0.000 1.258 1188 F CB 0.422 39.347 39.000 -0.125 0.000 1.061 1188 F HN -0.013 nan 8.300 nan 0.000 0.598 1189 L N 1.372 122.683 121.223 0.147 0.000 2.406 1189 L HA 0.443 4.781 4.340 -0.004 0.000 0.272 1189 L C -1.071 175.850 176.870 0.085 0.000 0.980 1189 L CA -0.700 54.200 54.840 0.100 0.000 0.831 1189 L CB 1.527 43.649 42.059 0.105 0.000 1.253 1189 L HN -0.085 nan 8.230 nan 0.000 0.406 1190 K N 6.482 126.917 120.400 0.058 0.000 2.540 1190 K HA 0.399 4.716 4.320 -0.004 0.000 0.218 1190 K C -2.117 174.504 176.600 0.036 0.000 1.017 1190 K CA -1.437 54.880 56.287 0.051 0.000 1.029 1190 K CB 1.467 33.988 32.500 0.036 0.000 1.348 1190 K HN 0.350 nan 8.250 nan 0.000 0.508 1191 P HA -0.144 nan 4.420 nan 0.000 0.219 1191 P C 0.824 178.136 177.300 0.020 0.000 1.146 1191 P CA 0.978 64.084 63.100 0.011 0.000 0.808 1191 P CB 0.244 31.932 31.700 -0.019 0.000 0.779 1192 L N -0.544 120.693 121.223 0.024 0.000 2.265 1192 L HA -0.131 4.206 4.340 -0.004 0.000 0.215 1192 L C 1.943 178.828 176.870 0.026 0.000 1.117 1192 L CA 1.351 56.206 54.840 0.025 0.000 0.782 1192 L CB -0.914 41.158 42.059 0.021 0.000 0.914 1192 L HN 0.092 nan 8.230 nan 0.000 0.441 1193 E N 0.148 120.363 120.200 0.025 0.000 2.435 1193 E HA -0.027 4.321 4.350 -0.004 0.000 0.195 1193 E C 1.822 178.441 176.600 0.030 0.000 1.029 1193 E CA 0.444 56.858 56.400 0.023 0.000 0.865 1193 E CB 0.209 29.920 29.700 0.019 0.000 0.833 1193 E HN 0.530 nan 8.360 nan 0.000 0.510 1194 L N -0.807 120.437 121.223 0.035 0.000 2.640 1194 L HA 0.258 4.596 4.340 -0.004 0.000 0.230 1194 L C 1.296 178.204 176.870 0.063 0.000 1.123 1194 L CA 0.308 55.170 54.840 0.037 0.000 0.900 1194 L CB 0.627 42.699 42.059 0.022 0.000 1.146 1194 L HN 0.262 nan 8.230 nan 0.000 0.484 1195 G N -0.166 108.693 108.800 0.099 0.000 2.211 1195 G HA2 -0.195 3.763 3.960 -0.004 0.000 0.201 1195 G HA3 -0.195 3.763 3.960 -0.004 0.000 0.201 1195 G C 0.424 175.454 174.900 0.217 0.000 0.997 1195 G CA -0.167 45.066 45.100 0.222 0.000 0.652 1195 G HN 0.384 nan 8.290 nan 0.000 0.500 1196 A N 0.376 123.250 122.820 0.090 0.000 2.425 1196 A HA 0.537 4.855 4.320 -0.004 0.000 0.242 1196 A C 1.113 178.731 177.584 0.056 0.000 1.077 1196 A CA 0.926 52.995 52.037 0.054 0.000 0.781 1196 A CB 0.291 19.290 19.000 -0.002 0.000 1.020 1196 A HN 0.207 nan 8.150 nan 0.000 0.494 1197 D N 0.166 120.582 120.400 0.028 0.000 2.301 1197 D HA 0.157 4.795 4.640 -0.004 0.000 0.206 1197 D C 0.021 176.311 176.300 -0.016 0.000 0.979 1197 D CA 1.253 55.249 54.000 -0.007 0.000 0.874 1197 D CB 0.274 41.043 40.800 -0.052 0.000 0.968 1197 D HN 0.499 nan 8.370 nan 0.000 0.510 1198 I N 0.423 120.983 120.570 -0.017 0.000 2.619 1198 I HA 0.400 4.567 4.170 -0.004 0.000 0.292 1198 I C -1.039 175.071 176.117 -0.012 0.000 1.100 1198 I CA -0.849 60.456 61.300 0.008 0.000 1.043 1198 I CB 2.516 40.534 38.000 0.030 0.000 1.239 1198 I HN -0.239 nan 8.210 nan 0.000 0.420 1199 A N 6.781 129.605 122.820 0.007 0.000 2.330 1199 A HA 0.918 5.236 4.320 -0.004 0.000 0.313 1199 A C -1.030 176.536 177.584 -0.029 0.000 1.124 1199 A CA -0.423 51.592 52.037 -0.038 0.000 0.774 1199 A CB 1.149 20.151 19.000 0.003 0.000 1.198 1199 A HN 0.607 nan 8.150 nan 0.000 0.465 1200 L N -0.232 120.900 121.223 -0.152 0.000 2.327 1200 L HA 0.842 5.180 4.340 -0.004 0.000 0.258 1200 L C -0.613 176.054 176.870 -0.339 0.000 1.024 1200 L CA -0.547 54.246 54.840 -0.077 0.000 0.825 1200 L CB 1.633 43.703 42.059 0.020 0.000 1.386 1200 L HN 0.657 nan 8.230 nan 0.000 0.417 1201 H N -0.752 118.375 119.070 0.096 0.000 2.996 1201 H HA 0.325 4.878 4.556 -0.004 0.000 0.368 1201 H C -1.189 174.193 175.328 0.090 0.000 1.185 1201 H CA -0.782 55.324 56.048 0.096 0.000 1.160 1201 H CB 2.297 32.130 29.762 0.119 0.000 1.820 1201 H HN 0.784 nan 8.280 nan 0.000 0.547 1202 S N 1.649 117.452 115.700 0.171 0.000 2.429 1202 S HA 0.078 4.545 4.470 -0.004 0.000 0.292 1202 S C 1.260 175.952 174.600 0.154 0.000 1.183 1202 S CA -0.537 57.724 58.200 0.102 0.000 1.088 1202 S CB -0.178 63.010 63.200 -0.021 0.000 1.018 1202 S HN 0.419 nan 8.310 nan 0.000 0.511 1203 V N 4.915 124.929 119.914 0.166 0.000 2.759 1203 V HA -0.062 4.056 4.120 -0.004 0.000 0.256 1203 V C 1.595 177.730 176.094 0.068 0.000 1.080 1203 V CA 0.910 63.299 62.300 0.148 0.000 1.101 1203 V CB -0.985 30.943 31.823 0.176 0.000 0.698 1203 V HN 0.828 nan 8.190 nan 0.000 0.477 1207 I N 1.074 121.742 120.570 0.163 0.000 2.127 1207 I HA -0.331 3.837 4.170 -0.004 0.000 0.241 1207 I C 2.162 178.358 176.117 0.131 0.000 1.075 1207 I CA 2.497 63.864 61.300 0.113 0.000 1.334 1207 I CB -0.206 37.848 38.000 0.089 0.000 1.040 1207 I HN 0.322 nan 8.210 nan 0.000 0.405 1208 N N 0.446 119.208 118.700 0.104 0.000 2.135 1208 N HA -0.108 4.630 4.740 -0.004 0.000 0.186 1208 N C 1.492 177.126 175.510 0.206 0.000 1.027 1208 N CA 1.915 55.020 53.050 0.092 0.000 0.849 1208 N CB -0.051 38.449 38.487 0.022 0.000 1.002 1208 N HN 0.389 nan 8.380 nan 0.000 0.425 1209 G N -1.458 107.419 108.800 0.128 0.000 2.245 1209 G HA2 -0.315 3.643 3.960 -0.004 0.000 0.264 1209 G HA3 -0.315 3.643 3.960 -0.004 0.000 0.264 1209 G C 0.491 175.357 174.900 -0.058 0.000 0.985 1209 G CA 1.029 46.170 45.100 0.068 0.000 0.625 1209 G HN 0.611 nan 8.290 nan 0.000 0.536 1210 H N -0.436 118.636 119.070 0.003 0.000 2.672 1210 H HA 0.455 5.009 4.556 -0.004 0.000 0.277 1210 H C 1.863 177.188 175.328 -0.005 0.000 1.074 1210 H CA 0.553 56.603 56.048 0.003 0.000 1.173 1210 H CB 0.561 30.321 29.762 -0.003 0.000 1.558 1210 H HN 1.200 nan 8.280 nan 0.000 0.539 1211 G N 1.852 110.689 108.800 0.061 0.000 2.198 1211 G HA2 -0.321 3.637 3.960 -0.004 0.000 0.260 1211 G HA3 -0.321 3.637 3.960 -0.004 0.000 0.260 1211 G C 0.324 175.245 174.900 0.035 0.000 1.025 1211 G CA 0.890 46.005 45.100 0.025 0.000 0.769 1211 G HN 0.611 nan 8.290 nan 0.000 0.507 1212 D N -1.736 118.691 120.400 0.045 0.000 2.539 1212 D HA 0.382 5.020 4.640 -0.004 0.000 0.232 1212 D C 0.306 176.616 176.300 0.017 0.000 1.256 1212 D CA 0.041 54.061 54.000 0.033 0.000 0.810 1212 D CB 0.516 41.342 40.800 0.043 0.000 1.090 1212 D HN 0.474 nan 8.370 nan 0.000 0.519 1213 V N 1.004 120.924 119.914 0.009 0.000 2.888 1213 V HA 0.377 4.494 4.120 -0.004 0.000 0.309 1213 V C -0.917 175.176 176.094 -0.002 0.000 1.114 1213 V CA -0.876 61.420 62.300 -0.007 0.000 0.940 1213 V CB 2.644 34.444 31.823 -0.039 0.000 1.021 1213 V HN 0.023 nan 8.190 nan 0.000 0.426 1214 I N 3.257 123.828 120.570 0.003 0.000 2.336 1214 I HA 0.836 5.004 4.170 -0.004 0.000 0.292 1214 I C 0.620 176.748 176.117 0.019 0.000 0.991 1214 I CA 0.283 61.591 61.300 0.014 0.000 1.227 1214 I CB 1.027 39.041 38.000 0.024 0.000 1.366 1214 I HN 0.849 nan 8.210 nan 0.000 0.466 1215 G N 3.510 112.330 108.800 0.034 0.000 2.559 1215 G HA2 0.701 4.659 3.960 -0.004 0.000 0.291 1215 G HA3 0.701 4.659 3.960 -0.004 0.000 0.291 1215 G C -1.281 173.698 174.900 0.131 0.000 1.424 1215 G CA -0.532 44.609 45.100 0.069 0.000 0.786 1215 G HN 0.809 nan 8.290 nan 0.000 0.485 1216 G N -1.924 107.016 108.800 0.232 0.000 2.642 1216 G HA2 0.817 4.774 3.960 -0.004 0.000 0.293 1216 G HA3 0.817 4.774 3.960 -0.004 0.000 0.293 1216 G C -1.766 173.419 174.900 0.474 0.000 1.341 1216 G CA -0.521 44.761 45.100 0.304 0.000 0.916 1216 G HN 1.582 nan 8.290 nan 0.000 0.474 1217 V N -0.451 119.736 119.914 0.455 0.000 2.932 1217 V HA 0.830 4.948 4.120 -0.004 0.000 0.307 1217 V C -0.979 175.357 176.094 0.403 0.000 1.147 1217 V CA -0.499 62.084 62.300 0.472 0.000 0.951 1217 V CB 2.248 34.279 31.823 0.348 0.000 1.031 1217 V HN 1.117 nan 8.190 nan 0.000 0.426 1218 S N 3.601 119.562 115.700 0.435 0.000 2.538 1218 S HA 0.846 5.313 4.470 -0.004 0.000 0.288 1218 S C -0.903 173.836 174.600 0.231 0.000 1.108 1218 S CA -0.336 58.047 58.200 0.304 0.000 0.971 1218 S CB 1.886 65.279 63.200 0.323 0.000 1.041 1218 S HN 0.925 nan 8.310 nan 0.000 0.483 1219 S N 2.312 118.107 115.700 0.159 0.000 2.521 1219 S HA 0.856 5.324 4.470 -0.004 0.000 0.295 1219 S C -0.701 173.956 174.600 0.095 0.000 1.098 1219 S CA -0.639 57.627 58.200 0.110 0.000 0.999 1219 S CB 1.653 64.901 63.200 0.079 0.000 1.034 1219 S HN 1.024 nan 8.310 nan 0.000 0.483 1220 A N 1.664 124.536 122.820 0.087 0.000 2.355 1220 A HA 0.622 4.940 4.320 -0.004 0.000 0.324 1220 A C 0.808 178.419 177.584 0.045 0.000 1.117 1220 A CA -0.748 51.334 52.037 0.075 0.000 0.785 1220 A CB 1.089 20.158 19.000 0.116 0.000 1.254 1220 A HN 0.864 nan 8.150 nan 0.000 0.453 1221 K N 0.259 120.675 120.400 0.026 0.000 2.211 1221 K HA -0.050 4.267 4.320 -0.004 0.000 0.203 1221 K C 0.608 177.214 176.600 0.010 0.000 1.050 1221 K CA 1.756 58.049 56.287 0.011 0.000 0.945 1221 K CB -0.057 32.441 32.500 -0.003 0.000 0.732 1221 K HN 0.853 nan 8.250 nan 0.000 0.451 1222 T N -4.162 110.405 114.554 0.022 0.000 2.908 1222 T HA 0.560 4.908 4.350 -0.004 0.000 0.290 1222 T C 0.872 175.598 174.700 0.044 0.000 1.034 1222 T CA -0.501 61.614 62.100 0.024 0.000 1.010 1222 T CB 1.884 70.763 68.868 0.019 0.000 1.068 1222 T HN 0.020 nan 8.240 nan 0.000 0.481 1223 A N 0.770 123.609 122.820 0.033 0.000 1.940 1223 A HA -0.067 4.251 4.320 -0.004 0.000 0.219 1223 A C 2.167 179.787 177.584 0.059 0.000 1.176 1223 A CA 1.935 53.994 52.037 0.037 0.000 0.631 1223 A CB -1.071 17.940 19.000 0.018 0.000 0.814 1223 A HN 1.028 nan 8.150 nan 0.000 0.446 1224 E N -0.453 119.785 120.200 0.064 0.000 2.077 1224 E HA -0.240 4.108 4.350 -0.004 0.000 0.193 1224 E C 1.200 177.894 176.600 0.157 0.000 0.989 1224 E CA 1.455 57.909 56.400 0.089 0.000 0.800 1224 E CB -0.083 29.665 29.700 0.080 0.000 0.746 1224 E HN 0.539 nan 8.360 nan 0.000 0.452 1225 D N 0.105 120.612 120.400 0.178 0.000 2.162 1225 D HA -0.098 4.540 4.640 -0.004 0.000 0.203 1225 D C 1.814 178.301 176.300 0.311 0.000 0.967 1225 D CA 0.405 54.598 54.000 0.321 0.000 0.840 1225 D CB -0.100 40.820 40.800 0.201 0.000 0.972 1225 D HN 0.195 nan 8.370 nan 0.000 0.482 1226 I N 0.928 121.613 120.570 0.191 0.000 2.394 1226 I HA -0.140 4.028 4.170 -0.004 0.000 0.251 1226 I C 1.992 178.197 176.117 0.148 0.000 1.136 1226 I CA 0.754 62.154 61.300 0.167 0.000 1.425 1226 I CB -0.348 37.717 38.000 0.109 0.000 1.079 1226 I HN -0.083 nan 8.210 nan 0.000 0.425 1227 A N -0.882 122.012 122.820 0.124 0.000 1.902 1227 A HA -0.209 4.109 4.320 -0.004 0.000 0.217 1227 A C 2.351 180.028 177.584 0.155 0.000 1.181 1227 A CA 2.431 54.531 52.037 0.107 0.000 0.623 1227 A CB -1.329 17.709 19.000 0.063 0.000 0.818 1227 A HN 0.446 nan 8.150 nan 0.000 0.443 1228 T N 0.213 114.866 114.554 0.166 0.000 2.777 1228 T HA -0.063 4.285 4.350 -0.004 0.000 0.266 1228 T C 1.794 176.544 174.700 0.082 0.000 1.040 1228 T CA 1.417 63.604 62.100 0.145 0.000 1.141 1228 T CB -0.392 68.504 68.868 0.047 0.000 0.868 1228 T HN 0.418 nan 8.240 nan 0.000 0.444 1229 I N 0.817 121.434 120.570 0.078 0.000 2.163 1229 I HA -0.217 3.950 4.170 -0.004 0.000 0.243 1229 I C 2.522 178.782 176.117 0.238 0.000 1.085 1229 I CA 1.473 62.852 61.300 0.133 0.000 1.347 1229 I CB -0.267 37.886 38.000 0.255 0.000 1.044 1229 I HN 0.186 nan 8.210 nan 0.000 0.408 1230 K N -0.122 120.399 120.400 0.202 0.000 2.148 1230 K HA -0.191 4.127 4.320 -0.004 0.000 0.204 1230 K C 2.088 178.817 176.600 0.214 0.000 1.050 1230 K CA 1.272 57.657 56.287 0.164 0.000 0.942 1230 K CB -0.248 32.312 32.500 0.099 0.000 0.724 1230 K HN 0.190 nan 8.250 nan 0.000 0.446 1231 F N 0.772 120.766 119.950 0.072 0.000 2.146 1231 F HA -0.206 4.319 4.527 -0.004 0.000 0.298 1231 F C 2.077 177.922 175.800 0.075 0.000 1.096 1231 F CA 0.985 59.018 58.000 0.055 0.000 1.275 1231 F CB -0.687 38.334 39.000 0.035 0.000 1.008 1231 F HN 0.013 nan 8.300 nan 0.000 0.480 1232 Y N 1.088 121.272 120.300 -0.193 0.000 2.181 1232 Y HA -0.190 4.358 4.550 -0.004 0.000 0.288 1232 Y C 2.888 178.723 175.900 -0.109 0.000 1.146 1232 Y CA 2.293 60.229 58.100 -0.273 0.000 1.164 1232 Y CB -0.556 37.786 38.460 -0.197 0.000 0.982 1232 Y HN 0.058 nan 8.280 nan 0.000 0.515 1233 R N 0.953 121.573 120.500 0.200 0.000 2.091 1233 R HA -0.247 4.091 4.340 -0.004 0.000 0.238 1233 R C 2.440 178.751 176.300 0.019 0.000 1.136 1233 R CA 2.043 58.251 56.100 0.180 0.000 0.959 1233 R CB -0.354 30.078 30.300 0.221 0.000 0.856 1233 R HN 0.380 nan 8.270 nan 0.000 0.437 1234 K N -0.113 120.293 120.400 0.010 0.000 2.103 1234 K HA -0.179 4.138 4.320 -0.004 0.000 0.207 1234 K C 0.816 177.383 176.600 -0.054 0.000 1.048 1234 K CA 2.170 58.471 56.287 0.022 0.000 0.930 1234 K CB 0.052 32.611 32.500 0.098 0.000 0.716 1234 K HN 0.205 nan 8.250 nan 0.000 0.444 1235 D N -0.672 119.609 120.400 -0.199 0.000 2.338 1235 D HA 0.058 4.696 4.640 -0.004 0.000 0.208 1235 D C 1.539 177.663 176.300 -0.294 0.000 0.997 1235 D CA 0.902 54.750 54.000 -0.253 0.000 0.880 1235 D CB 0.279 40.854 40.800 -0.375 0.000 0.980 1235 D HN 0.329 nan 8.370 nan 0.000 0.509 1236 A N 0.092 122.671 122.820 -0.401 0.000 1.984 1236 A HA 0.392 4.710 4.320 -0.004 0.000 0.214 1236 A C 1.822 179.331 177.584 -0.125 0.000 1.173 1236 A CA 1.344 53.169 52.037 -0.353 0.000 0.673 1236 A CB -0.249 18.408 19.000 -0.571 0.000 0.830 1236 A HN 0.239 nan 8.150 nan 0.000 0.453 1237 G N -0.730 108.040 108.800 -0.050 0.000 2.137 1237 G HA2 -0.204 3.754 3.960 -0.004 0.000 0.237 1237 G HA3 -0.204 3.754 3.960 -0.004 0.000 0.237 1237 G C 0.366 175.304 174.900 0.063 0.000 1.002 1237 G CA 0.606 45.714 45.100 0.014 0.000 0.702 1237 G HN 1.150 nan 8.290 nan 0.000 0.515 1238 S N 0.437 116.218 115.700 0.134 0.000 2.485 1238 S HA 0.646 5.114 4.470 -0.004 0.000 0.312 1238 S C 0.597 175.320 174.600 0.206 0.000 1.102 1238 S CA -0.533 57.786 58.200 0.198 0.000 1.066 1238 S CB -0.199 63.173 63.200 0.287 0.000 1.102 1238 S HN 0.457 nan 8.310 nan 0.000 0.519 1239 L N 4.581 125.865 121.223 0.102 0.000 2.331 1239 L HA 0.573 4.911 4.340 -0.004 0.000 0.275 1239 L C 0.262 177.156 176.870 0.040 0.000 1.022 1239 L CA -0.741 54.121 54.840 0.037 0.000 0.812 1239 L CB 1.788 43.858 42.059 0.017 0.000 1.257 1239 L HN 0.524 nan 8.230 nan 0.000 0.435 1240 M N 2.424 122.030 119.600 0.010 0.000 2.146 1240 M HA 0.464 4.942 4.480 -0.004 0.000 0.357 1240 M C 0.086 176.388 176.300 0.005 0.000 1.261 1240 M CA -0.238 55.069 55.300 0.012 0.000 1.106 1240 M CB 1.193 33.793 32.600 0.001 0.000 1.612 1240 M HN 0.751 nan 8.290 nan 0.000 0.470 1241 A N 6.864 129.687 122.820 0.005 0.000 2.407 1241 A HA 0.379 4.697 4.320 -0.004 0.000 0.248 1241 A C -2.078 175.518 177.584 0.020 0.000 1.082 1241 A CA -1.306 50.735 52.037 0.007 0.000 0.785 1241 A CB -0.387 18.615 19.000 0.004 0.000 1.020 1241 A HN 0.753 nan 8.150 nan 0.000 0.489 1242 P HA -0.198 nan 4.420 nan 0.000 0.216 1242 P C 1.623 178.976 177.300 0.088 0.000 1.153 1242 P CA 1.635 64.781 63.100 0.076 0.000 0.858 1242 P CB -0.063 31.685 31.700 0.080 0.000 0.789 1243 M N -0.071 119.557 119.600 0.046 0.000 2.117 1243 M HA -0.151 4.327 4.480 -0.004 0.000 0.262 1243 M C 1.174 177.542 176.300 0.112 0.000 1.065 1243 M CA 1.887 57.224 55.300 0.062 0.000 1.114 1243 M CB -1.383 31.222 32.600 0.007 0.000 1.361 1243 M HN -0.245 nan 8.290 nan 0.000 0.408 1244 D N 0.132 120.555 120.400 0.039 0.000 2.144 1244 D HA -0.049 4.589 4.640 -0.004 0.000 0.199 1244 D C 1.998 178.245 176.300 -0.089 0.000 0.984 1244 D CA 1.706 55.696 54.000 -0.017 0.000 0.834 1244 D CB -0.412 40.365 40.800 -0.038 0.000 0.955 1244 D HN 0.506 nan 8.370 nan 0.000 0.465 1245 A N 0.337 123.121 122.820 -0.060 0.000 1.902 1245 A HA -0.159 4.159 4.320 -0.004 0.000 0.217 1245 A C 2.105 179.663 177.584 -0.042 0.000 1.181 1245 A CA 1.023 52.983 52.037 -0.128 0.000 0.623 1245 A CB -1.020 17.986 19.000 0.010 0.000 0.818 1245 A HN 0.286 nan 8.150 nan 0.000 0.443 1246 F N 0.733 120.656 119.950 -0.045 0.000 2.095 1246 F HA -0.194 4.331 4.527 -0.003 0.000 0.298 1246 F C 1.851 177.613 175.800 -0.062 0.000 1.104 1246 F CA 1.969 59.962 58.000 -0.012 0.000 1.232 1246 F CB -0.313 38.691 39.000 0.007 0.000 0.987 1246 F HN 0.147 nan 8.300 nan 0.000 0.475 1247 L N -0.720 120.454 121.223 -0.083 0.000 2.093 1247 L HA -0.264 4.073 4.340 -0.004 0.000 0.208 1247 L C 2.615 179.318 176.870 -0.279 0.000 1.085 1247 L CA 1.254 55.964 54.840 -0.217 0.000 0.755 1247 L CB -0.964 41.071 42.059 -0.040 0.000 0.904 1247 L HN 0.318 nan 8.230 nan 0.000 0.435 1248 C N -0.477 118.633 119.300 -0.315 0.000 2.446 1248 C HA -0.064 4.394 4.460 -0.004 0.000 0.277 1248 C C 3.134 177.991 174.990 -0.222 0.000 1.275 1248 C CA 0.578 59.352 59.018 -0.406 0.000 1.727 1248 C CB -0.966 26.197 27.740 -0.962 0.000 2.010 1248 C HN 0.606 nan 8.230 nan 0.000 0.486 1249 A N 0.551 123.276 122.820 -0.158 0.000 1.902 1249 A HA -0.218 4.100 4.320 -0.004 0.000 0.217 1249 A C 2.282 179.799 177.584 -0.112 0.000 1.181 1249 A CA 1.775 53.843 52.037 0.051 0.000 0.623 1249 A CB -0.640 18.392 19.000 0.053 0.000 0.818 1249 A HN 0.648 nan 8.150 nan 0.000 0.443 1250 R N -0.609 119.708 120.500 -0.306 0.000 2.073 1250 R HA -0.115 4.223 4.340 -0.004 0.000 0.234 1250 R C 2.287 178.451 176.300 -0.227 0.000 1.134 1250 R CA 1.614 57.505 56.100 -0.348 0.000 0.952 1250 R CB -0.716 29.244 30.300 -0.566 0.000 0.850 1250 R HN 0.460 nan 8.270 nan 0.000 0.433 1251 G N 0.781 109.455 108.800 -0.210 0.000 2.418 1251 G HA2 -0.310 3.648 3.960 -0.004 0.000 0.217 1251 G HA3 -0.310 3.648 3.960 -0.004 0.000 0.217 1251 G C 1.431 176.363 174.900 0.052 0.000 1.158 1251 G CA 0.789 45.845 45.100 -0.074 0.000 0.771 1251 G HN 0.338 nan 8.290 nan 0.000 0.545 1252 M N 0.088 119.713 119.600 0.042 0.000 2.374 1252 M HA 0.029 4.506 4.480 -0.004 0.000 0.264 1252 M C 2.059 178.371 176.300 0.020 0.000 1.067 1252 M CA 0.927 56.267 55.300 0.065 0.000 1.103 1252 M CB 0.043 32.720 32.600 0.127 0.000 1.402 1252 M HN -0.015 nan 8.290 nan 0.000 0.444 1253 K N -0.090 120.303 120.400 -0.012 0.000 2.211 1253 K HA -0.094 4.224 4.320 -0.004 0.000 0.204 1253 K C 1.624 178.223 176.600 -0.001 0.000 1.047 1253 K CA 1.825 58.096 56.287 -0.027 0.000 0.935 1253 K CB -0.988 31.476 32.500 -0.059 0.000 0.728 1253 K HN 0.534 nan 8.250 nan 0.000 0.452 1254 T N -1.837 112.736 114.554 0.032 0.000 3.134 1254 T HA 0.142 4.490 4.350 -0.004 0.000 0.260 1254 T C 1.504 176.233 174.700 0.049 0.000 1.027 1254 T CA -0.339 61.790 62.100 0.049 0.000 0.913 1254 T CB 0.024 68.943 68.868 0.085 0.000 1.046 1254 T HN -0.057 nan 8.240 nan 0.000 0.553 1255 L N 2.347 123.592 121.223 0.037 0.000 2.012 1255 L HA 0.130 4.467 4.340 -0.004 0.000 0.210 1255 L C -0.960 175.892 176.870 -0.030 0.000 1.073 1255 L CA 2.015 56.868 54.840 0.021 0.000 0.748 1255 L CB -1.135 40.922 42.059 -0.002 0.000 0.891 1255 L HN 0.099 nan 8.230 nan 0.000 0.431 1256 P HA -0.163 nan 4.420 nan 0.000 0.215 1256 P C 1.942 179.225 177.300 -0.028 0.000 1.157 1256 P CA 1.362 64.414 63.100 -0.079 0.000 0.868 1256 P CB -0.095 31.576 31.700 -0.050 0.000 0.788 1257 I N -0.626 119.946 120.570 0.002 0.000 2.315 1257 I HA -0.148 4.020 4.170 -0.004 0.000 0.248 1257 I C 2.158 178.285 176.117 0.018 0.000 1.117 1257 I CA 1.339 62.650 61.300 0.018 0.000 1.404 1257 I CB -0.505 37.506 38.000 0.018 0.000 1.071 1257 I HN -0.229 nan 8.210 nan 0.000 0.419 1258 R N -0.689 119.822 120.500 0.019 0.000 2.081 1258 R HA -0.145 4.193 4.340 -0.004 0.000 0.235 1258 R C 2.133 178.490 176.300 0.097 0.000 1.131 1258 R CA 1.582 57.685 56.100 0.004 0.000 0.960 1258 R CB -0.406 29.932 30.300 0.063 0.000 0.856 1258 R HN 0.298 nan 8.270 nan 0.000 0.436 1259 M N 0.671 120.344 119.600 0.122 0.000 2.213 1259 M HA -0.172 4.306 4.480 -0.004 0.000 0.263 1259 M C 2.223 178.702 176.300 0.297 0.000 1.062 1259 M CA 1.500 56.887 55.300 0.145 0.000 1.105 1259 M CB -0.904 31.512 32.600 -0.308 0.000 1.385 1259 M HN 0.236 nan 8.290 nan 0.000 0.417 1260 Q N 0.316 120.242 119.800 0.208 0.000 2.050 1260 Q HA -0.181 4.157 4.340 -0.004 0.000 0.202 1260 Q C 1.888 177.991 176.000 0.171 0.000 0.980 1260 Q CA 1.414 57.362 55.803 0.242 0.000 0.840 1260 Q CB 0.119 28.943 28.738 0.143 0.000 0.898 1260 Q HN 0.334 nan 8.270 nan 0.000 0.424 1261 I N 0.681 121.305 120.570 0.089 0.000 2.179 1261 I HA -0.268 3.899 4.170 -0.004 0.000 0.242 1261 I C 2.372 178.535 176.117 0.077 0.000 1.088 1261 I CA 1.484 62.804 61.300 0.033 0.000 1.357 1261 I CB -1.909 36.057 38.000 -0.058 0.000 1.051 1261 I HN 0.360 nan 8.210 nan 0.000 0.409 1262 H N 0.272 119.427 119.070 0.142 0.000 2.289 1262 H HA -0.235 4.319 4.556 -0.004 0.000 0.296 1262 H C 2.282 177.720 175.328 0.183 0.000 1.091 1262 H CA 2.091 58.246 56.048 0.179 0.000 1.274 1262 H CB -0.434 29.460 29.762 0.220 0.000 1.364 1262 H HN 0.303 nan 8.280 nan 0.000 0.490 1263 M N 0.713 120.516 119.600 0.338 0.000 2.080 1263 M HA -0.191 4.287 4.480 -0.004 0.000 0.260 1263 M C 1.961 178.359 176.300 0.164 0.000 1.068 1263 M CA 1.863 57.303 55.300 0.233 0.000 1.109 1263 M CB 0.020 32.682 32.600 0.105 0.000 1.342 1263 M HN 0.191 nan 8.290 nan 0.000 0.405 1264 E N 0.139 120.417 120.200 0.130 0.000 2.072 1264 E HA -0.140 4.207 4.350 -0.004 0.000 0.190 1264 E C 1.707 178.350 176.600 0.072 0.000 0.982 1264 E CA 1.559 58.004 56.400 0.074 0.000 0.803 1264 E CB -0.197 29.538 29.700 0.058 0.000 0.755 1264 E HN 0.672 nan 8.360 nan 0.000 0.453 1265 N N 0.000 118.762 118.700 0.103 0.000 2.084 1265 N HA -0.146 4.592 4.740 -0.004 0.000 0.190 1265 N C 2.043 177.639 175.510 0.144 0.000 1.030 1265 N CA 0.827 53.940 53.050 0.105 0.000 0.849 1265 N CB -0.200 38.358 38.487 0.119 0.000 1.012 1265 N HN 0.138 nan 8.380 nan 0.000 0.423 1266 G N 1.438 110.369 108.800 0.219 0.000 2.440 1266 G HA2 -0.208 3.750 3.960 -0.004 0.000 0.218 1266 G HA3 -0.208 3.750 3.960 -0.004 0.000 0.218 1266 G C 1.532 176.472 174.900 0.068 0.000 1.154 1266 G CA 0.470 45.755 45.100 0.307 0.000 0.767 1266 G HN 0.149 nan 8.290 nan 0.000 0.552 1267 L N -0.336 120.845 121.223 -0.070 0.000 2.056 1267 L HA 0.000 4.338 4.340 -0.004 0.000 0.207 1267 L C 2.977 179.714 176.870 -0.221 0.000 1.078 1267 L CA 1.157 55.782 54.840 -0.358 0.000 0.749 1267 L CB -0.207 41.703 42.059 -0.250 0.000 0.901 1267 L HN 0.174 nan 8.230 nan 0.000 0.433 1268 K N -0.670 119.687 120.400 -0.071 0.000 2.097 1268 K HA -0.113 4.205 4.320 -0.004 0.000 0.205 1268 K C 1.990 178.612 176.600 0.037 0.000 1.050 1268 K CA 0.997 57.271 56.287 -0.022 0.000 0.938 1268 K CB -0.103 32.399 32.500 0.003 0.000 0.718 1268 K HN 0.084 nan 8.250 nan 0.000 0.442 1269 V N 1.274 121.239 119.914 0.085 0.000 2.358 1269 V HA -0.229 3.889 4.120 -0.004 0.000 0.246 1269 V C 2.305 178.518 176.094 0.199 0.000 1.047 1269 V CA 1.965 64.384 62.300 0.197 0.000 1.035 1269 V CB -0.603 31.387 31.823 0.279 0.000 0.658 1269 V HN 0.344 nan 8.190 nan 0.000 0.452 1270 A N -0.031 122.783 122.820 -0.011 0.000 1.908 1270 A HA -0.263 4.055 4.320 -0.004 0.000 0.218 1270 A C 2.290 179.782 177.584 -0.153 0.000 1.181 1270 A CA 2.116 54.002 52.037 -0.251 0.000 0.627 1270 A CB -0.424 18.092 19.000 -0.807 0.000 0.818 1270 A HN 0.563 nan 8.150 nan 0.000 0.445 1271 K N -1.497 118.821 120.400 -0.136 0.000 2.057 1271 K HA -0.081 4.237 4.320 -0.004 0.000 0.206 1271 K C 1.818 178.414 176.600 -0.007 0.000 1.050 1271 K CA 1.465 57.701 56.287 -0.086 0.000 0.935 1271 K CB -0.385 32.066 32.500 -0.081 0.000 0.715 1271 K HN 0.543 nan 8.250 nan 0.000 0.439 1272 F N 2.066 121.981 119.950 -0.058 0.000 2.065 1272 F HA -0.259 4.266 4.527 -0.004 0.000 0.298 1272 F C 1.795 177.589 175.800 -0.010 0.000 1.112 1272 F CA 1.445 59.431 58.000 -0.023 0.000 1.212 1272 F CB -0.168 38.821 39.000 -0.018 0.000 0.975 1272 F HN -0.104 nan 8.300 nan 0.000 0.476 1273 L N 0.178 121.244 121.223 -0.261 0.000 2.046 1273 L HA -0.210 4.128 4.340 -0.004 0.000 0.208 1273 L C 2.518 179.247 176.870 -0.234 0.000 1.077 1273 L CA 1.861 56.471 54.840 -0.384 0.000 0.747 1273 L CB -0.875 41.008 42.059 -0.295 0.000 0.896 1273 L HN 0.273 nan 8.230 nan 0.000 0.432 1274 E N 0.449 120.566 120.200 -0.138 0.000 2.153 1274 E HA -0.276 4.072 4.350 -0.004 0.000 0.194 1274 E C 1.963 178.506 176.600 -0.094 0.000 0.988 1274 E CA 1.344 57.694 56.400 -0.083 0.000 0.811 1274 E CB 0.173 29.829 29.700 -0.073 0.000 0.746 1274 E HN 0.571 nan 8.360 nan 0.000 0.466 1275 Q N -0.920 118.799 119.800 -0.134 0.000 2.425 1275 Q HA 0.016 4.354 4.340 -0.004 0.000 0.204 1275 Q C 0.068 175.964 176.000 -0.173 0.000 0.933 1275 Q CA 0.529 56.256 55.803 -0.126 0.000 0.939 1275 Q CB -0.344 28.337 28.738 -0.095 0.000 1.044 1275 Q HN 0.254 nan 8.270 nan 0.000 0.513 1276 H N 0.863 119.737 119.070 -0.325 0.000 2.646 1276 H HA 0.097 4.651 4.556 -0.004 0.000 0.325 1276 H C 0.931 176.157 175.328 -0.170 0.000 1.075 1276 H CA 0.031 55.884 56.048 -0.325 0.000 1.421 1276 H CB 1.089 30.529 29.762 -0.538 0.000 1.461 1276 H HN 0.349 nan 8.280 nan 0.000 0.525 1277 E N 3.462 123.455 120.200 -0.345 0.000 2.171 1277 E HA -0.241 4.107 4.350 -0.004 0.000 0.197 1277 E C 1.011 177.644 176.600 0.055 0.000 0.997 1277 E CA 1.089 57.411 56.400 -0.130 0.000 0.810 1277 E CB 0.228 29.813 29.700 -0.190 0.000 0.738 1277 E HN 0.562 nan 8.360 nan 0.000 0.467 1278 K N 0.055 120.630 120.400 0.293 0.000 2.365 1278 K HA -0.001 4.317 4.320 -0.004 0.000 0.199 1278 K C 0.467 177.146 176.600 0.131 0.000 1.045 1278 K CA 0.289 56.695 56.287 0.198 0.000 0.962 1278 K CB 0.346 32.954 32.500 0.180 0.000 0.759 1278 K HN 0.190 nan 8.250 nan 0.000 0.469 1279 I N 1.406 122.047 120.570 0.118 0.000 2.336 1279 I HA 0.034 4.201 4.170 -0.004 0.000 0.292 1279 I C 1.603 177.775 176.117 0.091 0.000 0.991 1279 I CA -0.292 61.071 61.300 0.104 0.000 1.227 1279 I CB 1.395 39.416 38.000 0.035 0.000 1.366 1279 I HN -0.299 nan 8.210 nan 0.000 0.466 1280 V N 5.902 125.886 119.914 0.116 0.000 2.446 1280 V HA 0.039 4.157 4.120 -0.004 0.000 0.244 1280 V C 0.916 177.066 176.094 0.093 0.000 1.039 1280 V CA 1.348 63.701 62.300 0.089 0.000 1.045 1280 V CB -0.207 31.668 31.823 0.087 0.000 0.681 1280 V HN 0.707 nan 8.190 nan 0.000 0.459 1281 K N -1.219 119.263 120.400 0.135 0.000 2.568 1281 K HA 0.616 4.933 4.320 -0.004 0.000 0.273 1281 K C -1.930 174.800 176.600 0.216 0.000 0.951 1281 K CA -0.447 55.927 56.287 0.145 0.000 0.854 1281 K CB 3.241 35.825 32.500 0.141 0.000 1.424 1281 K HN -0.108 nan 8.250 nan 0.000 0.427 1282 V N 1.963 122.000 119.914 0.204 0.000 2.483 1282 V HA 0.295 4.413 4.120 -0.004 0.000 0.297 1282 V C -0.565 175.676 176.094 0.244 0.000 1.027 1282 V CA -0.851 61.608 62.300 0.265 0.000 0.855 1282 V CB 1.606 33.524 31.823 0.158 0.000 0.995 1282 V HN 0.726 nan 8.190 nan 0.000 0.424 1283 N N 3.544 122.420 118.700 0.293 0.000 3.234 1283 N HA 0.188 4.925 4.740 -0.004 0.000 0.272 1283 N C -0.802 174.578 175.510 -0.218 0.000 1.254 1283 N CA -0.266 52.877 53.050 0.155 0.000 1.087 1283 N CB 0.143 38.812 38.487 0.303 0.000 1.356 1283 N HN 0.663 nan 8.380 nan 0.000 0.511 1284 H N 2.285 121.045 119.070 -0.518 0.000 2.481 1284 H HA 0.229 4.782 4.556 -0.004 0.000 0.333 1284 H C -1.987 172.836 175.328 -0.842 0.000 1.066 1284 H CA -2.053 53.598 56.048 -0.662 0.000 1.209 1284 H CB 2.059 31.310 29.762 -0.852 0.000 1.445 1284 H HN 0.236 nan 8.280 nan 0.000 0.488 1285 P HA -0.017 nan 4.420 nan 0.000 0.230 1285 P C 1.078 178.295 177.300 -0.139 0.000 1.158 1285 P CA 0.853 63.734 63.100 -0.364 0.000 0.769 1285 P CB 0.093 31.736 31.700 -0.094 0.000 0.807 1286 G N -0.190 108.349 108.800 -0.433 0.000 2.813 1286 G HA2 0.079 4.037 3.960 -0.004 0.000 0.209 1286 G HA3 0.079 4.037 3.960 -0.004 0.000 0.209 1286 G C 0.651 175.243 174.900 -0.513 0.000 1.150 1286 G CA -0.158 44.427 45.100 -0.859 0.000 0.785 1286 G HN 0.213 nan 8.290 nan 0.000 0.535 1287 L N 0.559 121.529 121.223 -0.421 0.000 2.349 1287 L HA 0.225 4.563 4.340 -0.004 0.000 0.275 1287 L C 1.314 177.864 176.870 -0.533 0.000 1.115 1287 L CA -0.422 54.169 54.840 -0.414 0.000 0.820 1287 L CB 1.310 43.224 42.059 -0.242 0.000 1.135 1287 L HN 0.179 nan 8.230 nan 0.000 0.445 1288 E N 0.784 120.681 120.200 -0.505 0.000 2.204 1288 E HA -0.181 4.167 4.350 -0.004 0.000 0.195 1288 E C 1.861 178.380 176.600 -0.134 0.000 0.990 1288 E CA 1.429 57.591 56.400 -0.396 0.000 0.821 1288 E CB 0.121 29.699 29.700 -0.202 0.000 0.750 1288 E HN 0.809 nan 8.360 nan 0.000 0.477 1289 S N 0.292 115.946 115.700 -0.078 0.000 2.515 1289 S HA -0.094 4.373 4.470 -0.004 0.000 0.231 1289 S C 0.526 175.175 174.600 0.083 0.000 0.987 1289 S CA -0.076 58.126 58.200 0.004 0.000 0.936 1289 S CB -0.215 62.990 63.200 0.009 0.000 0.766 1289 S HN 0.132 nan 8.310 nan 0.000 0.528 1290 F N 4.272 124.193 119.950 -0.049 0.000 2.427 1290 F HA 0.491 5.016 4.527 -0.004 0.000 0.352 1290 F C -2.638 173.201 175.800 0.065 0.000 1.100 1290 F CA -2.915 55.096 58.000 0.018 0.000 1.191 1290 F CB 0.523 39.541 39.000 0.030 0.000 1.128 1290 F HN -0.036 nan 8.300 nan 0.000 0.533 1291 P HA 0.242 nan 4.420 nan 0.000 0.271 1291 P C 0.320 177.440 177.300 -0.299 0.000 1.220 1291 P CA 0.678 63.560 63.100 -0.364 0.000 0.768 1291 P CB 0.751 32.220 31.700 -0.386 0.000 0.848 1292 G N 1.962 110.740 108.800 -0.038 0.000 2.159 1292 G HA2 -0.352 3.606 3.960 -0.004 0.000 0.256 1292 G HA3 -0.352 3.606 3.960 -0.004 0.000 0.256 1292 G C 1.208 176.240 174.900 0.220 0.000 0.977 1292 G CA 0.490 45.634 45.100 0.074 0.000 0.652 1292 G HN 0.764 nan 8.290 nan 0.000 0.531 1293 H N 0.679 119.872 119.070 0.206 0.000 2.390 1293 H HA -0.128 4.426 4.556 -0.004 0.000 0.298 1293 H C 2.052 177.477 175.328 0.162 0.000 1.106 1293 H CA 2.063 58.245 56.048 0.223 0.000 1.297 1293 H CB 0.135 29.999 29.762 0.170 0.000 1.375 1293 H HN 0.452 nan 8.280 nan 0.000 0.509 1294 D N 0.429 120.843 120.400 0.023 0.000 2.117 1294 D HA -0.101 4.536 4.640 -0.004 0.000 0.197 1294 D C 2.482 178.751 176.300 -0.051 0.000 0.987 1294 D CA 0.962 54.926 54.000 -0.059 0.000 0.829 1294 D CB -0.226 40.587 40.800 0.022 0.000 0.961 1294 D HN 0.468 nan 8.370 nan 0.000 0.460 1295 I N 0.895 121.470 120.570 0.009 0.000 2.202 1295 I HA -0.224 3.944 4.170 -0.004 0.000 0.242 1295 I C 2.426 178.559 176.117 0.027 0.000 1.091 1295 I CA 1.005 62.317 61.300 0.021 0.000 1.368 1295 I CB -0.169 37.856 38.000 0.042 0.000 1.058 1295 I HN -0.080 nan 8.210 nan 0.000 0.410 1296 A N 0.814 123.678 122.820 0.074 0.000 1.902 1296 A HA -0.285 4.033 4.320 -0.004 0.000 0.217 1296 A C 2.262 179.873 177.584 0.045 0.000 1.181 1296 A CA 2.219 54.333 52.037 0.129 0.000 0.623 1296 A CB -0.500 18.684 19.000 0.306 0.000 0.818 1296 A HN 0.330 nan 8.150 nan 0.000 0.443 1297 K N 0.048 120.425 120.400 -0.039 0.000 2.097 1297 K HA -0.088 4.230 4.320 -0.004 0.000 0.205 1297 K C 1.836 178.383 176.600 -0.088 0.000 1.050 1297 K CA 1.664 57.891 56.287 -0.100 0.000 0.938 1297 K CB -0.089 32.251 32.500 -0.267 0.000 0.718 1297 K HN 0.307 nan 8.250 nan 0.000 0.442 1298 K N 0.266 120.629 120.400 -0.062 0.000 2.116 1298 K HA -0.025 4.292 4.320 -0.004 0.000 0.203 1298 K C 2.001 178.582 176.600 -0.031 0.000 1.052 1298 K CA 1.347 57.610 56.287 -0.039 0.000 0.952 1298 K CB 0.111 32.596 32.500 -0.024 0.000 0.729 1298 K HN 0.391 nan 8.250 nan 0.000 0.446 1299 Q N -0.604 119.182 119.800 -0.023 0.000 2.384 1299 Q HA 0.202 4.540 4.340 -0.004 0.000 0.207 1299 Q C 0.480 176.470 176.000 -0.017 0.000 0.904 1299 Q CA 0.176 55.973 55.803 -0.010 0.000 0.933 1299 Q CB 0.590 29.333 28.738 0.008 0.000 1.077 1299 Q HN 0.198 nan 8.270 nan 0.000 0.522 1300 M N -0.483 119.083 119.600 -0.057 0.000 2.662 1300 M HA 0.265 4.743 4.480 -0.004 0.000 0.310 1300 M C 0.343 176.548 176.300 -0.158 0.000 1.204 1300 M CA -0.376 54.871 55.300 -0.088 0.000 0.891 1300 M CB 1.929 34.455 32.600 -0.125 0.000 1.732 1300 M HN -0.123 nan 8.290 nan 0.000 0.467 1301 T N -2.467 112.021 114.554 -0.109 0.000 3.134 1301 T HA 0.567 4.915 4.350 -0.004 0.000 0.260 1301 T C 0.400 174.883 174.700 -0.360 0.000 1.027 1301 T CA 0.081 62.106 62.100 -0.125 0.000 0.913 1301 T CB -0.018 68.873 68.868 0.037 0.000 1.046 1301 T HN 0.949 nan 8.240 nan 0.000 0.553 1302 G N -0.031 108.323 108.800 -0.743 0.000 2.341 1302 G HA2 0.516 4.473 3.960 -0.004 0.000 0.299 1302 G HA3 0.516 4.473 3.960 -0.004 0.000 0.299 1302 G C -2.378 171.718 174.900 -1.340 0.000 1.274 1302 G CA -1.051 43.172 45.100 -1.460 0.000 0.853 1302 G HN 0.220 nan 8.290 nan 0.000 0.493 1303 Y N -0.480 119.424 120.300 -0.660 0.000 2.492 1303 Y HA 0.605 5.153 4.550 -0.004 0.000 0.346 1303 Y C 0.941 176.799 175.900 -0.069 0.000 0.997 1303 Y CA -0.235 57.752 58.100 -0.188 0.000 1.025 1303 Y CB 2.089 40.520 38.460 -0.048 0.000 1.263 1303 Y HN 0.897 nan 8.280 nan 0.000 0.454 1304 G N 0.277 109.134 108.800 0.095 0.000 2.712 1304 G HA2 0.318 4.276 3.960 -0.004 0.000 0.258 1304 G HA3 0.318 4.276 3.960 -0.004 0.000 0.258 1304 G C 0.415 175.328 174.900 0.023 0.000 1.241 1304 G CA -0.007 45.031 45.100 -0.103 0.000 0.923 1304 G HN 0.770 nan 8.290 nan 0.000 0.548 1305 S N -1.874 113.886 115.700 0.100 0.000 2.754 1305 S HA 0.289 4.757 4.470 -0.004 0.000 0.247 1305 S C 0.271 175.033 174.600 0.269 0.000 1.031 1305 S CA -0.345 58.017 58.200 0.271 0.000 1.014 1305 S CB 0.388 63.803 63.200 0.359 0.000 0.918 1305 S HN 0.436 nan 8.310 nan 0.000 0.519 1306 T N 3.415 117.982 114.554 0.021 0.000 2.771 1306 T HA 0.721 5.069 4.350 -0.004 0.000 0.281 1306 T C -0.725 173.965 174.700 -0.017 0.000 0.982 1306 T CA -0.483 61.512 62.100 -0.175 0.000 0.978 1306 T CB 0.504 69.011 68.868 -0.601 0.000 0.930 1306 T HN 0.527 nan 8.240 nan 0.000 0.447 1307 F N 1.159 121.103 119.950 -0.011 0.000 2.817 1307 F HA 0.773 5.298 4.527 -0.004 0.000 0.317 1307 F C -2.207 173.687 175.800 0.157 0.000 1.168 1307 F CA -1.721 56.318 58.000 0.065 0.000 0.911 1307 F CB 1.120 40.103 39.000 -0.027 0.000 1.337 1307 F HN 0.539 nan 8.300 nan 0.000 0.464 1308 L N 2.166 123.574 121.223 0.308 0.000 2.333 1308 L HA 0.881 5.219 4.340 -0.004 0.000 0.269 1308 L C -1.578 175.501 176.870 0.349 0.000 1.010 1308 L CA -0.959 53.959 54.840 0.129 0.000 0.818 1308 L CB 2.165 44.275 42.059 0.085 0.000 1.306 1308 L HN 0.817 nan 8.230 nan 0.000 0.430 1309 F N 0.237 120.262 119.950 0.125 0.000 2.626 1309 F HA 0.594 5.119 4.527 -0.004 0.000 0.311 1309 F C -0.943 174.919 175.800 0.104 0.000 1.088 1309 F CA -0.907 57.183 58.000 0.151 0.000 0.949 1309 F CB 1.313 40.419 39.000 0.176 0.000 1.322 1309 F HN 0.493 nan 8.300 nan 0.000 0.461 1310 E N 3.234 123.589 120.200 0.258 0.000 2.133 1310 E HA 0.371 4.719 4.350 -0.004 0.000 0.274 1310 E C -0.871 175.846 176.600 0.194 0.000 0.930 1310 E CA -0.878 55.608 56.400 0.145 0.000 0.770 1310 E CB 0.995 30.770 29.700 0.124 0.000 1.104 1310 E HN 0.589 nan 8.360 nan 0.000 0.403 1311 M N 3.050 122.735 119.600 0.143 0.000 2.245 1311 M HA 0.227 4.704 4.480 -0.004 0.000 0.292 1311 M C 0.911 177.271 176.300 0.101 0.000 1.176 1311 M CA -0.030 55.355 55.300 0.141 0.000 1.035 1311 M CB 0.399 33.066 32.600 0.113 0.000 1.440 1311 M HN 0.472 nan 8.290 nan 0.000 0.494 1312 K N 0.271 120.720 120.400 0.081 0.000 2.366 1312 K HA 0.015 4.332 4.320 -0.004 0.000 0.198 1312 K C 0.241 176.879 176.600 0.063 0.000 1.044 1312 K CA 0.473 56.798 56.287 0.063 0.000 0.973 1312 K CB 0.107 32.635 32.500 0.047 0.000 0.767 1312 K HN 0.786 nan 8.250 nan 0.000 0.475 1313 S N -1.785 113.957 115.700 0.071 0.000 2.587 1313 S HA 0.157 4.624 4.470 -0.004 0.000 0.269 1313 S C 0.194 174.866 174.600 0.119 0.000 1.154 1313 S CA -1.021 57.234 58.200 0.092 0.000 0.824 1313 S CB 0.254 63.491 63.200 0.062 0.000 1.118 1313 S HN 0.110 nan 8.310 nan 0.000 0.462 1314 F N 1.703 121.669 119.950 0.028 0.000 2.126 1314 F HA -0.056 4.468 4.527 -0.004 0.000 0.299 1314 F C 2.074 177.856 175.800 -0.030 0.000 1.096 1314 F CA 2.210 60.216 58.000 0.011 0.000 1.255 1314 F CB -0.218 38.792 39.000 0.016 0.000 0.997 1314 F HN 0.767 nan 8.300 nan 0.000 0.479 1315 E N 0.845 120.905 120.200 -0.234 0.000 2.077 1315 E HA -0.182 4.166 4.350 -0.004 0.000 0.193 1315 E C 2.298 178.752 176.600 -0.243 0.000 0.989 1315 E CA 1.397 57.605 56.400 -0.320 0.000 0.800 1315 E CB -0.660 28.974 29.700 -0.110 0.000 0.746 1315 E HN 0.520 nan 8.360 nan 0.000 0.452 1316 A N 0.931 123.676 122.820 -0.125 0.000 1.902 1316 A HA -0.091 4.226 4.320 -0.004 0.000 0.217 1316 A C 2.371 179.909 177.584 -0.077 0.000 1.181 1316 A CA 1.850 53.845 52.037 -0.070 0.000 0.623 1316 A CB -0.873 18.121 19.000 -0.010 0.000 0.818 1316 A HN 0.291 nan 8.150 nan 0.000 0.443 1317 A N 0.288 123.045 122.820 -0.105 0.000 1.877 1317 A HA -0.204 4.114 4.320 -0.004 0.000 0.216 1317 A C 2.148 179.617 177.584 -0.191 0.000 1.186 1317 A CA 2.161 54.141 52.037 -0.095 0.000 0.620 1317 A CB -0.500 18.474 19.000 -0.044 0.000 0.822 1317 A HN 0.638 nan 8.150 nan 0.000 0.443 1318 K N -0.112 120.044 120.400 -0.406 0.000 2.057 1318 K HA -0.174 4.143 4.320 -0.004 0.000 0.206 1318 K C 2.110 178.623 176.600 -0.144 0.000 1.050 1318 K CA 1.805 57.862 56.287 -0.384 0.000 0.935 1318 K CB -0.233 31.868 32.500 -0.665 0.000 0.715 1318 K HN 0.386 nan 8.250 nan 0.000 0.439 1319 K N 0.520 120.867 120.400 -0.089 0.000 2.057 1319 K HA -0.152 4.166 4.320 -0.004 0.000 0.207 1319 K C 2.233 178.932 176.600 0.164 0.000 1.049 1319 K CA 1.200 57.534 56.287 0.078 0.000 0.931 1319 K CB -0.159 32.330 32.500 -0.018 0.000 0.714 1319 K HN 0.194 nan 8.250 nan 0.000 0.440 1320 L N 1.120 122.382 121.223 0.065 0.000 1.994 1320 L HA -0.158 4.179 4.340 -0.004 0.000 0.208 1320 L C 2.116 179.047 176.870 0.102 0.000 1.071 1320 L CA 1.831 56.728 54.840 0.096 0.000 0.745 1320 L CB -0.340 41.785 42.059 0.109 0.000 0.892 1320 L HN 0.243 nan 8.230 nan 0.000 0.431 1321 M N -0.957 118.671 119.600 0.047 0.000 2.279 1321 M HA -0.174 4.303 4.480 -0.004 0.000 0.264 1321 M C 1.592 177.886 176.300 -0.010 0.000 1.062 1321 M CA 1.572 56.886 55.300 0.023 0.000 1.099 1321 M CB -0.289 32.304 32.600 -0.012 0.000 1.394 1321 M HN 0.340 nan 8.290 nan 0.000 0.426 1322 E N -1.139 119.036 120.200 -0.041 0.000 2.479 1322 E HA 0.009 4.357 4.350 -0.004 0.000 0.193 1322 E C 0.286 176.638 176.600 -0.413 0.000 1.049 1322 E CA 0.198 56.475 56.400 -0.205 0.000 0.870 1322 E CB 0.309 29.852 29.700 -0.262 0.000 0.944 1322 E HN 0.552 nan 8.360 nan 0.000 0.492 1323 H N -0.019 119.052 119.070 0.002 0.000 2.549 1323 H HA 0.250 4.803 4.556 -0.004 0.000 0.253 1323 H C -0.319 175.019 175.328 0.015 0.000 1.170 1323 H CA -0.087 55.968 56.048 0.011 0.000 0.943 1323 H CB 0.554 30.326 29.762 0.016 0.000 1.849 1323 H HN 0.004 nan 8.280 nan 0.000 0.603 1324 L N 1.170 122.431 121.223 0.063 0.000 2.322 1324 L HA 0.276 4.614 4.340 -0.004 0.000 0.279 1324 L C 0.992 177.879 176.870 0.029 0.000 1.036 1324 L CA -0.502 54.369 54.840 0.052 0.000 0.807 1324 L CB 1.520 43.607 42.059 0.046 0.000 1.226 1324 L HN -0.041 nan 8.230 nan 0.000 0.433 1325 K N 1.655 122.071 120.400 0.027 0.000 2.391 1325 K HA 0.163 4.481 4.320 -0.004 0.000 0.197 1325 K C 1.119 177.726 176.600 0.011 0.000 1.087 1325 K CA 0.390 56.687 56.287 0.017 0.000 1.012 1325 K CB 0.791 33.302 32.500 0.018 0.000 0.925 1325 K HN 0.413 nan 8.250 nan 0.000 0.547 1326 V N 1.047 120.968 119.914 0.012 0.000 2.627 1326 V HA 0.017 4.135 4.120 -0.004 0.000 0.239 1326 V C 1.127 177.228 176.094 0.012 0.000 1.077 1326 V CA 0.248 62.554 62.300 0.009 0.000 1.103 1326 V CB 0.023 31.848 31.823 0.003 0.000 0.802 1326 V HN 0.111 nan 8.190 nan 0.000 0.482 1327 C N 2.009 121.320 119.300 0.018 0.000 2.657 1327 C HA 0.378 4.835 4.460 -0.004 0.000 0.420 1327 C C 0.892 175.892 174.990 0.017 0.000 1.323 1327 C CA -0.091 58.940 59.018 0.023 0.000 1.894 1327 C CB -0.731 27.030 27.740 0.035 0.000 2.681 1327 C HN 0.464 nan 8.230 nan 0.000 0.613 1328 T N 3.832 118.394 114.554 0.014 0.000 2.794 1328 T HA 0.362 4.710 4.350 -0.004 0.000 0.280 1328 T C -0.270 174.437 174.700 0.011 0.000 0.987 1328 T CA -0.316 61.789 62.100 0.009 0.000 0.993 1328 T CB 0.950 69.823 68.868 0.007 0.000 0.939 1328 T HN 0.489 nan 8.240 nan 0.000 0.449 1329 L N 4.240 125.467 121.223 0.007 0.000 2.385 1329 L HA 0.639 4.976 4.340 -0.004 0.000 0.281 1329 L C -0.093 176.786 176.870 0.015 0.000 1.106 1329 L CA 0.423 55.270 54.840 0.011 0.000 0.856 1329 L CB -1.025 41.034 42.059 0.001 0.000 1.186 1329 L HN 0.880 nan 8.230 nan 0.000 0.453 1330 A N 3.859 126.692 122.820 0.021 0.000 2.583 1330 A HA 0.597 4.914 4.320 -0.004 0.000 0.292 1330 A C -0.754 176.849 177.584 0.032 0.000 1.045 1330 A CA -0.205 51.846 52.037 0.024 0.000 0.672 1330 A CB 0.479 19.489 19.000 0.016 0.000 1.283 1330 A HN 1.026 nan 8.150 nan 0.000 0.419 1331 V N -0.459 119.479 119.914 0.040 0.000 3.596 1331 V HA 0.897 5.015 4.120 -0.004 0.000 0.288 1331 V C 0.682 176.805 176.094 0.048 0.000 1.021 1331 V CA 0.535 62.869 62.300 0.056 0.000 1.020 1331 V CB 0.767 32.632 31.823 0.069 0.000 1.243 1331 V HN 2.926 nan 8.190 nan 0.000 0.433 1332 S N -0.469 115.273 115.700 0.069 0.000 3.998 1332 S HA -0.005 4.462 4.470 -0.004 0.000 0.668 1332 S C -0.979 173.619 174.600 -0.003 0.000 1.288 1332 S CA 0.614 58.839 58.200 0.042 0.000 1.411 1332 S CB -1.147 62.061 63.200 0.012 0.000 0.368 1332 S HN 2.559 nan 8.310 nan 0.000 1.206 1333 L N -1.248 119.929 121.223 -0.077 0.000 2.838 1333 L HA 0.859 5.197 4.340 -0.004 0.000 0.266 1333 L C 0.900 177.516 176.870 -0.423 0.000 1.040 1333 L CA 0.045 54.767 54.840 -0.197 0.000 0.906 1333 L CB 0.937 42.903 42.059 -0.156 0.000 1.501 1333 L HN 2.217 nan 8.230 nan 0.000 0.407 1334 G N -0.605 107.749 108.800 -0.742 0.000 2.143 1334 G HA2 -0.196 3.762 3.960 -0.004 0.000 0.248 1334 G HA3 -0.196 3.762 3.960 -0.004 0.000 0.248 1334 G C 0.197 174.746 174.900 -0.586 0.000 0.991 1334 G CA 0.100 44.353 45.100 -1.412 0.000 0.689 1334 G HN 0.825 nan 8.290 nan 0.000 0.522 1335 C N -0.236 118.902 119.300 -0.271 0.000 2.443 1335 C HA 0.503 4.961 4.460 -0.004 0.000 0.369 1335 C C 2.532 177.546 174.990 0.040 0.000 1.241 1335 C CA -0.093 58.868 59.018 -0.095 0.000 2.413 1335 C CB 1.165 28.865 27.740 -0.068 0.000 2.451 1335 C HN 0.909 nan 8.230 nan 0.000 0.595 1336 V N 0.005 119.901 119.914 -0.029 0.000 2.594 1336 V HA -0.058 4.059 4.120 -0.004 0.000 0.253 1336 V C 0.732 176.826 176.094 0.001 0.000 1.069 1336 V CA 1.797 64.072 62.300 -0.043 0.000 1.082 1336 V CB -0.998 30.709 31.823 -0.194 0.000 0.680 1336 V HN 0.937 nan 8.190 nan 0.000 0.469 1337 D N -0.258 120.145 120.400 0.005 0.000 2.228 1337 D HA 0.232 4.869 4.640 -0.004 0.000 0.247 1337 D C -0.350 175.968 176.300 0.030 0.000 0.995 1337 D CA -0.450 53.558 54.000 0.014 0.000 0.903 1337 D CB 1.507 42.309 40.800 0.003 0.000 1.205 1337 D HN 0.136 nan 8.370 nan 0.000 0.459 1338 T N 1.371 115.945 114.554 0.033 0.000 2.814 1338 T HA 0.352 4.700 4.350 -0.004 0.000 0.297 1338 T C 0.273 174.983 174.700 0.017 0.000 0.956 1338 T CA -0.279 61.843 62.100 0.037 0.000 1.123 1338 T CB 0.185 69.078 68.868 0.043 0.000 0.902 1338 T HN 0.183 nan 8.240 nan 0.000 0.528 1339 L N 3.573 124.799 121.223 0.005 0.000 2.319 1339 L HA 0.760 5.097 4.340 -0.004 0.000 0.267 1339 L C -0.375 176.498 176.870 0.004 0.000 1.011 1339 L CA -1.115 53.726 54.840 0.001 0.000 0.818 1339 L CB 1.900 43.952 42.059 -0.012 0.000 1.316 1339 L HN 0.549 nan 8.230 nan 0.000 0.432 1340 I N 1.245 121.823 120.570 0.014 0.000 2.752 1340 I HA 0.414 4.582 4.170 -0.004 0.000 0.295 1340 I C -1.539 174.593 176.117 0.024 0.000 1.219 1340 I CA -0.002 61.309 61.300 0.019 0.000 1.030 1340 I CB 2.503 40.530 38.000 0.045 0.000 1.259 1340 I HN 0.870 nan 8.210 nan 0.000 0.423 1341 E N 4.583 124.797 120.200 0.022 0.000 2.447 1341 E HA 0.363 4.710 4.350 -0.004 0.000 0.279 1341 E C -1.659 174.990 176.600 0.081 0.000 1.053 1341 E CA -0.822 55.612 56.400 0.056 0.000 0.840 1341 E CB 1.070 30.805 29.700 0.059 0.000 1.409 1341 E HN 0.523 nan 8.360 nan 0.000 0.461 1342 H N 1.120 120.193 119.070 0.006 0.000 2.691 1342 H HA 0.273 4.826 4.556 -0.004 0.000 0.281 1342 H C -2.028 173.317 175.328 0.028 0.000 1.121 1342 H CA -2.357 53.700 56.048 0.014 0.000 1.254 1342 H CB 1.396 31.201 29.762 0.071 0.000 1.390 1342 H HN 0.300 nan 8.280 nan 0.000 0.491 1343 P HA -0.129 nan 4.420 nan 0.000 0.216 1343 P C 1.302 178.500 177.300 -0.170 0.000 1.150 1343 P CA 1.564 64.591 63.100 -0.121 0.000 0.837 1343 P CB 0.245 31.849 31.700 -0.160 0.000 0.786 1344 A N -0.086 122.476 122.820 -0.430 0.000 1.933 1344 A HA -0.149 4.169 4.320 -0.004 0.000 0.218 1344 A C 2.183 179.697 177.584 -0.118 0.000 1.175 1344 A CA 2.272 54.142 52.037 -0.277 0.000 0.628 1344 A CB -1.273 17.528 19.000 -0.332 0.000 0.814 1344 A HN 0.354 nan 8.150 nan 0.000 0.444 1345 S N -2.516 113.171 115.700 -0.022 0.000 2.539 1345 S HA 0.402 4.870 4.470 -0.004 0.000 0.221 1345 S C 1.177 175.825 174.600 0.080 0.000 0.987 1345 S CA 0.326 58.588 58.200 0.103 0.000 0.929 1345 S CB -0.041 63.311 63.200 0.253 0.000 0.832 1345 S HN 0.450 nan 8.310 nan 0.000 0.492 1346 M N 1.282 120.918 119.600 0.059 0.000 2.848 1346 M HA 0.193 4.671 4.480 -0.004 0.000 0.166 1346 M C 2.270 178.575 176.300 0.009 0.000 1.702 1346 M CA 0.838 56.165 55.300 0.046 0.000 1.731 1346 M CB -0.698 31.947 32.600 0.076 0.000 0.906 1346 M HN 0.238 nan 8.290 nan 0.000 0.732 1347 T N -1.645 112.928 114.554 0.031 0.000 2.897 1347 T HA -0.145 4.202 4.350 -0.004 0.000 0.271 1347 T C 1.197 175.790 174.700 -0.178 0.000 1.084 1347 T CA 1.417 63.508 62.100 -0.016 0.000 1.123 1347 T CB -0.506 68.434 68.868 0.121 0.000 0.865 1347 T HN 0.408 nan 8.240 nan 0.000 0.496 1348 H N -0.806 118.197 119.070 -0.112 0.000 2.923 1348 H HA 0.593 5.147 4.556 -0.004 0.000 0.268 1348 H C 2.042 177.305 175.328 -0.109 0.000 1.148 1348 H CA 0.236 56.208 56.048 -0.127 0.000 1.146 1348 H CB 0.565 30.257 29.762 -0.117 0.000 1.607 1348 H HN 0.482 nan 8.280 nan 0.000 0.566 1349 A N 0.807 123.605 122.820 -0.037 0.000 2.172 1349 A HA 0.068 4.386 4.320 -0.004 0.000 0.216 1349 A C 2.236 179.778 177.584 -0.070 0.000 1.154 1349 A CA 1.233 53.243 52.037 -0.045 0.000 0.701 1349 A CB -0.173 18.808 19.000 -0.032 0.000 0.789 1349 A HN 0.340 nan 8.150 nan 0.000 0.465 1350 A N -0.816 121.938 122.820 -0.110 0.000 2.195 1350 A HA 0.429 4.746 4.320 -0.004 0.000 0.210 1350 A C 0.734 178.243 177.584 -0.124 0.000 1.165 1350 A CA 0.047 52.012 52.037 -0.121 0.000 0.806 1350 A CB -0.132 18.782 19.000 -0.144 0.000 0.847 1350 A HN 0.195 nan 8.150 nan 0.000 0.482 1351 V N 3.648 123.490 119.914 -0.121 0.000 2.479 1351 V HA 0.132 4.250 4.120 -0.004 0.000 0.281 1351 V C -1.967 174.094 176.094 -0.055 0.000 1.031 1351 V CA -1.327 60.921 62.300 -0.087 0.000 1.038 1351 V CB 0.416 32.218 31.823 -0.034 0.000 0.981 1351 V HN 0.362 nan 8.190 nan 0.000 0.478 1352 P HA 0.024 nan 4.420 nan 0.000 0.264 1352 P C 0.700 177.982 177.300 -0.030 0.000 1.183 1352 P CA 0.162 63.236 63.100 -0.044 0.000 0.763 1352 P CB 0.792 32.467 31.700 -0.042 0.000 0.807 1353 E N 1.678 121.860 120.200 -0.030 0.000 2.268 1353 E HA -0.183 4.165 4.350 -0.004 0.000 0.195 1353 E C 1.672 178.262 176.600 -0.018 0.000 0.995 1353 E CA 0.413 56.798 56.400 -0.024 0.000 0.836 1353 E CB -0.073 29.610 29.700 -0.028 0.000 0.763 1353 E HN 0.503 nan 8.360 nan 0.000 0.491 1354 N N 1.247 119.937 118.700 -0.017 0.000 2.094 1354 N HA -0.180 4.558 4.740 -0.004 0.000 0.191 1354 N C 1.754 177.260 175.510 -0.006 0.000 1.023 1354 N CA 1.122 54.165 53.050 -0.011 0.000 0.857 1354 N CB -0.016 38.464 38.487 -0.012 0.000 1.013 1354 N HN 0.207 nan 8.380 nan 0.000 0.426 1355 I N 0.321 120.888 120.570 -0.005 0.000 2.584 1355 I HA -0.118 4.050 4.170 -0.004 0.000 0.255 1355 I C 2.577 178.699 176.117 0.007 0.000 1.145 1355 I CA 0.297 61.600 61.300 0.004 0.000 1.462 1355 I CB -0.175 37.829 38.000 0.006 0.000 1.102 1355 I HN 0.116 nan 8.210 nan 0.000 0.433 1356 M N 0.967 120.568 119.600 0.001 0.000 2.213 1356 M HA -0.181 4.297 4.480 -0.004 0.000 0.263 1356 M C 2.309 178.601 176.300 -0.013 0.000 1.062 1356 M CA 1.844 57.142 55.300 -0.002 0.000 1.105 1356 M CB -0.070 32.524 32.600 -0.011 0.000 1.385 1356 M HN 0.027 nan 8.290 nan 0.000 0.417 1357 R N -0.174 120.319 120.500 -0.011 0.000 2.075 1357 R HA -0.032 4.305 4.340 -0.004 0.000 0.226 1357 R C 2.197 178.494 176.300 -0.006 0.000 1.114 1357 R CA 1.378 57.471 56.100 -0.011 0.000 0.972 1357 R CB -0.275 30.019 30.300 -0.010 0.000 0.869 1357 R HN 0.373 nan 8.270 nan 0.000 0.437 1358 K N 0.784 121.183 120.400 -0.002 0.000 2.148 1358 K HA -0.128 4.190 4.320 -0.004 0.000 0.204 1358 K C 2.071 178.673 176.600 0.003 0.000 1.050 1358 K CA 1.141 57.430 56.287 0.003 0.000 0.942 1358 K CB 0.112 32.617 32.500 0.008 0.000 0.724 1358 K HN 0.198 nan 8.250 nan 0.000 0.446 1359 Q N -0.764 119.035 119.800 -0.000 0.000 2.297 1359 Q HA -0.032 4.306 4.340 -0.004 0.000 0.204 1359 Q C 0.717 176.703 176.000 -0.023 0.000 0.962 1359 Q CA 0.834 56.631 55.803 -0.009 0.000 0.879 1359 Q CB 0.367 29.097 28.738 -0.012 0.000 0.947 1359 Q HN 0.527 nan 8.270 nan 0.000 0.462 1360 G N 1.300 110.088 108.800 -0.020 0.000 2.182 1360 G HA2 -0.256 3.702 3.960 -0.004 0.000 0.248 1360 G HA3 -0.256 3.702 3.960 -0.004 0.000 0.248 1360 G C -0.097 174.783 174.900 -0.034 0.000 1.042 1360 G CA -0.114 44.976 45.100 -0.016 0.000 0.775 1360 G HN 0.275 nan 8.290 nan 0.000 0.501 1361 I N 1.831 122.367 120.570 -0.056 0.000 2.321 1361 I HA 0.540 4.707 4.170 -0.004 0.000 0.291 1361 I C 0.847 176.923 176.117 -0.069 0.000 0.998 1361 I CA 0.037 61.285 61.300 -0.088 0.000 1.227 1361 I CB 1.577 39.498 38.000 -0.131 0.000 1.368 1361 I HN 0.320 nan 8.210 nan 0.000 0.466 1362 T N 2.302 116.816 114.554 -0.066 0.000 2.916 1362 T HA 0.454 4.802 4.350 -0.004 0.000 0.292 1362 T C -2.380 172.299 174.700 -0.036 0.000 1.064 1362 T CA -1.989 60.089 62.100 -0.038 0.000 1.011 1362 T CB 2.038 70.906 68.868 -0.001 0.000 1.152 1362 T HN 0.162 nan 8.240 nan 0.000 0.510 1363 P HA 0.074 nan 4.420 nan 0.000 0.230 1363 P C 0.718 178.258 177.300 0.400 0.000 1.158 1363 P CA 0.656 63.872 63.100 0.193 0.000 0.769 1363 P CB 0.039 31.788 31.700 0.080 0.000 0.807 1364 E N -1.040 119.279 120.200 0.199 0.000 2.482 1364 E HA 0.041 4.389 4.350 -0.004 0.000 0.196 1364 E C 0.425 177.082 176.600 0.095 0.000 1.047 1364 E CA 0.243 56.744 56.400 0.168 0.000 0.869 1364 E CB -0.355 29.410 29.700 0.108 0.000 0.836 1364 E HN 0.281 nan 8.360 nan 0.000 0.520 1365 L N 0.689 121.931 121.223 0.031 0.000 2.334 1365 L HA 0.370 4.708 4.340 -0.004 0.000 0.277 1365 L C -0.335 176.441 176.870 -0.157 0.000 1.075 1365 L CA -0.815 53.968 54.840 -0.095 0.000 0.804 1365 L CB 1.208 43.202 42.059 -0.108 0.000 1.174 1365 L HN -0.194 nan 8.230 nan 0.000 0.438 1366 V N 3.208 122.860 119.914 -0.437 0.000 2.588 1366 V HA 0.457 4.574 4.120 -0.004 0.000 0.304 1366 V C -0.171 175.558 176.094 -0.608 0.000 1.042 1366 V CA -0.709 61.276 62.300 -0.526 0.000 0.877 1366 V CB 2.144 33.477 31.823 -0.817 0.000 0.996 1366 V HN 0.696 nan 8.190 nan 0.000 0.425 1367 R N 3.902 124.230 120.500 -0.286 0.000 2.393 1367 R HA 0.699 5.036 4.340 -0.004 0.000 0.310 1367 R C -1.305 174.910 176.300 -0.141 0.000 0.968 1367 R CA -0.497 55.491 56.100 -0.187 0.000 0.867 1367 R CB 1.492 31.763 30.300 -0.048 0.000 1.124 1367 R HN 0.781 nan 8.270 nan 0.000 0.450 1368 I N 1.970 122.420 120.570 -0.199 0.000 2.569 1368 I HA 0.256 4.424 4.170 -0.004 0.000 0.296 1368 I C -0.958 175.030 176.117 -0.214 0.000 1.028 1368 I CA -0.397 60.808 61.300 -0.157 0.000 1.082 1368 I CB 2.223 40.168 38.000 -0.092 0.000 1.264 1368 I HN 0.563 nan 8.210 nan 0.000 0.429 1369 S N 6.617 122.258 115.700 -0.098 0.000 2.577 1369 S HA 0.421 4.889 4.470 -0.004 0.000 0.294 1369 S C -0.782 173.827 174.600 0.015 0.000 1.161 1369 S CA -0.558 57.597 58.200 -0.075 0.000 1.143 1369 S CB 0.411 63.546 63.200 -0.109 0.000 0.991 1369 S HN 0.387 nan 8.310 nan 0.000 0.475 1370 V N 5.450 125.429 119.914 0.108 0.000 2.521 1370 V HA 0.433 4.551 4.120 -0.004 0.000 0.286 1370 V C 1.475 177.751 176.094 0.303 0.000 1.034 1370 V CA 0.289 62.705 62.300 0.193 0.000 1.045 1370 V CB 0.633 32.622 31.823 0.277 0.000 0.974 1370 V HN 0.887 nan 8.190 nan 0.000 0.480 1371 G N 3.790 112.721 108.800 0.218 0.000 2.574 1371 G HA2 0.469 4.427 3.960 -0.004 0.000 0.248 1371 G HA3 0.469 4.427 3.960 -0.004 0.000 0.248 1371 G C 0.572 175.502 174.900 0.050 0.000 1.422 1371 G CA -0.298 44.938 45.100 0.226 0.000 1.051 1371 G HN 0.897 nan 8.290 nan 0.000 0.560 1372 I N -2.058 118.452 120.570 -0.101 0.000 3.941 1372 I HA 0.394 4.562 4.170 -0.004 0.000 0.335 1372 I C -0.146 175.932 176.117 -0.066 0.000 1.402 1372 I CA -0.340 60.867 61.300 -0.154 0.000 1.112 1372 I CB -0.006 37.839 38.000 -0.259 0.000 1.043 1372 I HN 0.102 nan 8.210 nan 0.000 0.395 1373 E N 2.324 122.507 120.200 -0.029 0.000 2.461 1373 E HA -0.054 4.294 4.350 -0.004 0.000 0.263 1373 E C 0.032 176.623 176.600 -0.015 0.000 1.143 1373 E CA 0.098 56.488 56.400 -0.017 0.000 0.994 1373 E CB 0.176 29.873 29.700 -0.006 0.000 0.973 1373 E HN 0.395 nan 8.360 nan 0.000 0.457 1374 N N 0.455 119.145 118.700 -0.015 0.000 2.411 1374 N HA -0.105 4.633 4.740 -0.004 0.000 0.261 1374 N C 0.715 176.214 175.510 -0.018 0.000 1.248 1374 N CA 0.052 53.093 53.050 -0.016 0.000 0.885 1374 N CB 0.665 39.142 38.487 -0.017 0.000 1.062 1374 N HN 0.349 nan 8.380 nan 0.000 0.471 1375 V N 3.374 123.279 119.914 -0.015 0.000 2.407 1375 V HA -0.219 3.899 4.120 -0.004 0.000 0.248 1375 V C 1.093 177.155 176.094 -0.054 0.000 1.055 1375 V CA 2.027 64.316 62.300 -0.019 0.000 1.049 1375 V CB -0.481 31.339 31.823 -0.005 0.000 0.662 1375 V HN 0.783 nan 8.190 nan 0.000 0.455 1376 D N -0.022 120.345 120.400 -0.055 0.000 2.178 1376 D HA -0.143 4.494 4.640 -0.004 0.000 0.201 1376 D C 1.819 178.066 176.300 -0.089 0.000 0.980 1376 D CA 1.516 55.468 54.000 -0.080 0.000 0.842 1376 D CB -0.261 40.504 40.800 -0.057 0.000 0.948 1376 D HN 0.535 nan 8.370 nan 0.000 0.472 1377 D N 0.205 120.569 120.400 -0.060 0.000 2.162 1377 D HA -0.016 4.621 4.640 -0.004 0.000 0.203 1377 D C 2.348 178.612 176.300 -0.060 0.000 0.967 1377 D CA 0.227 54.197 54.000 -0.052 0.000 0.840 1377 D CB -0.080 40.702 40.800 -0.030 0.000 0.972 1377 D HN 0.281 nan 8.370 nan 0.000 0.482 1378 I N 0.795 121.332 120.570 -0.055 0.000 2.179 1378 I HA -0.223 3.945 4.170 -0.004 0.000 0.242 1378 I C 2.413 178.463 176.117 -0.113 0.000 1.088 1378 I CA 0.827 62.097 61.300 -0.050 0.000 1.357 1378 I CB -0.196 37.796 38.000 -0.013 0.000 1.051 1378 I HN -0.078 nan 8.210 nan 0.000 0.409 1379 I N 0.891 121.342 120.570 -0.199 0.000 2.226 1379 I HA -0.290 3.878 4.170 -0.004 0.000 0.245 1379 I C 2.779 178.643 176.117 -0.423 0.000 1.100 1379 I CA 1.376 62.402 61.300 -0.456 0.000 1.374 1379 I CB -0.435 37.213 38.000 -0.586 0.000 1.057 1379 I HN 0.197 nan 8.210 nan 0.000 0.413 1380 A N 0.126 122.803 122.820 -0.239 0.000 1.972 1380 A HA -0.278 4.040 4.320 -0.004 0.000 0.219 1380 A C 1.969 179.502 177.584 -0.085 0.000 1.169 1380 A CA 2.172 54.120 52.037 -0.148 0.000 0.635 1380 A CB -0.599 18.347 19.000 -0.089 0.000 0.810 1380 A HN 0.430 nan 8.150 nan 0.000 0.446 1381 D N -0.042 120.316 120.400 -0.069 0.000 2.084 1381 D HA -0.113 4.524 4.640 -0.004 0.000 0.194 1381 D C 1.864 178.163 176.300 -0.002 0.000 0.990 1381 D CA 1.285 55.272 54.000 -0.021 0.000 0.826 1381 D CB -0.229 40.565 40.800 -0.011 0.000 0.971 1381 D HN 0.399 nan 8.370 nan 0.000 0.453 1382 L N 0.077 121.289 121.223 -0.018 0.000 2.042 1382 L HA -0.161 4.177 4.340 -0.004 0.000 0.210 1382 L C 2.606 179.519 176.870 0.072 0.000 1.076 1382 L CA 1.305 56.169 54.840 0.040 0.000 0.749 1382 L CB -0.453 41.656 42.059 0.083 0.000 0.893 1382 L HN 0.064 nan 8.230 nan 0.000 0.432 1383 K N 0.276 120.709 120.400 0.054 0.000 2.057 1383 K HA -0.259 4.059 4.320 -0.004 0.000 0.207 1383 K C 2.204 178.866 176.600 0.104 0.000 1.049 1383 K CA 1.788 58.173 56.287 0.164 0.000 0.931 1383 K CB 0.038 32.602 32.500 0.106 0.000 0.714 1383 K HN 0.381 nan 8.250 nan 0.000 0.440 1384 Q N 0.010 119.844 119.800 0.056 0.000 2.079 1384 Q HA -0.059 4.279 4.340 -0.004 0.000 0.200 1384 Q C 1.851 177.883 176.000 0.055 0.000 0.974 1384 Q CA 1.680 57.516 55.803 0.055 0.000 0.840 1384 Q CB -0.535 28.226 28.738 0.039 0.000 0.898 1384 Q HN 0.279 nan 8.270 nan 0.000 0.430 1385 A N 1.065 123.918 122.820 0.055 0.000 1.930 1385 A HA 0.004 4.322 4.320 -0.004 0.000 0.217 1385 A C 2.171 179.771 177.584 0.027 0.000 1.175 1385 A CA 1.175 53.245 52.037 0.055 0.000 0.627 1385 A CB -0.711 18.344 19.000 0.091 0.000 0.815 1385 A HN 0.397 nan 8.150 nan 0.000 0.443 1386 L N -0.809 120.423 121.223 0.015 0.000 2.275 1386 L HA -0.116 4.222 4.340 -0.004 0.000 0.215 1386 L C 1.695 178.596 176.870 0.052 0.000 1.119 1386 L CA 1.082 55.906 54.840 -0.027 0.000 0.790 1386 L CB -0.279 41.627 42.059 -0.256 0.000 0.919 1386 L HN 0.437 nan 8.230 nan 0.000 0.443 1387 E N -0.267 119.981 120.200 0.080 0.000 2.451 1387 E HA 0.170 4.518 4.350 -0.004 0.000 0.194 1387 E C 0.182 176.825 176.600 0.071 0.000 1.027 1387 E CA -0.330 56.130 56.400 0.100 0.000 0.914 1387 E CB 0.423 30.201 29.700 0.130 0.000 1.054 1387 E HN 0.351 nan 8.360 nan 0.000 0.461 1388 L N 1.893 123.137 121.223 0.036 0.000 2.485 1388 L HA -0.022 4.316 4.340 -0.004 0.000 0.275 1388 L C 0.989 177.902 176.870 0.072 0.000 1.207 1388 L CA -0.118 54.741 54.840 0.032 0.000 0.855 1388 L CB 0.312 42.326 42.059 -0.076 0.000 1.114 1388 L HN 0.360 nan 8.230 nan 0.000 0.485 1389 W N 0.000 121.268 121.300 -0.054 0.000 2.388 1389 W HA 0.000 4.658 4.660 -0.004 0.000 0.303 1389 W CA 0.000 57.319 57.345 -0.043 0.000 1.226 1389 W CB 0.000 29.437 29.460 -0.038 0.000 1.126 1389 W HN 0.000 nan 8.180 nan 0.000 0.535