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 3cob_1_A DATA FIRST_RESID 887 DATA SEQUENCE KGKIRVYCRL RPLCEKEIIA KERNAIRSVD EFTVEHLWKD DKAKQHMYDR DATA SEQUENCE VFDGNATQDD VFEDTKYLVQ SAVDGYNVCI FAYGQTGSGK TFTIYGADSN DATA SEQUENCE PGLTPRAMSE LFRIMKKDSN KFSFSLKAYM VELYQDTLVD LLLPKQAKRL DATA SEQUENCE KLDIKKDSKG MVSVENVTVV SISTYEELKT IIQRGSEQRH TTGTLMNEQS DATA SEQUENCE SRSHLIVSVI IESTNLQTQA IARGKLSFVD LAGSERVKKS GSAGNQLKEA DATA SEQUENCE QSINKSLSAL GDVISALSSG NQHIPYRNHK LTMLMSDSLG GNAKTLMFVN DATA SEQUENCE ISPAESNLDE THNSLTYASR VRSIVNDPSK NVSSKEVARL KKLVSYWXXX DATA SEQUENCE XXXXXXXXEL EEIQDE 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 887 K HA 0.000 nan 4.320 nan 0.000 0.191 887 K C 0.000 176.597 176.600 -0.005 0.000 0.988 887 K CA 0.000 56.290 56.287 0.004 0.000 0.838 887 K CB 0.000 32.504 32.500 0.007 0.000 1.064 888 G N 3.997 112.785 108.800 -0.020 0.000 2.256 888 G HA2 -0.244 3.716 3.960 0.000 0.000 0.269 888 G HA3 -0.244 3.716 3.960 0.000 0.000 0.269 888 G C -0.254 174.636 174.900 -0.017 0.000 0.443 888 G CA 1.154 46.232 45.100 -0.036 0.000 1.051 888 G HN 0.353 nan 8.290 nan 0.000 0.442 889 K N 1.729 122.121 120.400 -0.013 0.000 2.185 889 K HA 0.288 4.608 4.320 0.000 0.000 0.271 889 K C 0.860 177.457 176.600 -0.004 0.000 1.013 889 K CA -0.830 55.456 56.287 -0.002 0.000 0.943 889 K CB 0.465 32.964 32.500 -0.001 0.000 0.998 889 K HN 0.290 nan 8.250 nan 0.000 0.468 890 I N 4.231 124.804 120.570 0.004 0.000 2.587 890 I HA -0.013 4.158 4.170 0.000 0.000 0.284 890 I C 0.676 176.779 176.117 -0.023 0.000 1.134 890 I CA 0.076 61.373 61.300 -0.005 0.000 1.410 890 I CB 0.367 38.381 38.000 0.023 0.000 1.392 890 I HN 0.438 nan 8.210 nan 0.000 0.545 891 R N 4.938 125.397 120.500 -0.068 0.000 2.390 891 R HA 0.504 4.844 4.340 0.000 0.000 0.291 891 R C -1.200 174.972 176.300 -0.213 0.000 1.070 891 R CA -0.168 55.874 56.100 -0.096 0.000 1.014 891 R CB 1.029 31.257 30.300 -0.121 0.000 1.007 891 R HN 0.414 nan 8.270 nan 0.000 0.466 892 V N 5.554 125.405 119.914 -0.105 0.000 2.577 892 V HA 0.386 4.506 4.120 0.000 0.000 0.303 892 V C -1.209 174.904 176.094 0.032 0.000 1.042 892 V CA -0.814 61.395 62.300 -0.152 0.000 0.872 892 V CB 1.475 33.281 31.823 -0.028 0.000 0.998 892 V HN 0.590 nan 8.190 nan 0.000 0.423 893 Y N 2.315 122.398 120.300 -0.363 0.000 2.409 893 Y HA 0.603 5.153 4.550 0.000 0.000 0.339 893 Y C 0.303 176.055 175.900 -0.247 0.000 1.033 893 Y CA -1.689 56.235 58.100 -0.294 0.000 1.094 893 Y CB 1.785 40.026 38.460 -0.365 0.000 1.210 893 Y HN 0.693 nan 8.280 nan 0.000 0.456 894 C N 5.638 124.938 119.300 -0.001 0.000 2.322 894 C HA 0.729 5.189 4.460 0.000 0.000 0.324 894 C C -0.181 174.933 174.990 0.206 0.000 1.284 894 C CA -0.625 58.368 59.018 -0.041 0.000 1.606 894 C CB -0.102 27.536 27.740 -0.170 0.000 2.251 894 C HN 0.960 nan 8.230 nan 0.000 0.502 895 R N 5.766 126.431 120.500 0.274 0.000 2.437 895 R HA 0.673 5.013 4.340 0.000 0.000 0.310 895 R C -1.431 174.988 176.300 0.198 0.000 0.955 895 R CA -0.557 55.749 56.100 0.343 0.000 0.851 895 R CB 0.884 31.416 30.300 0.387 0.000 1.161 895 R HN 0.847 nan 8.270 nan 0.000 0.446 896 L N 5.239 126.566 121.223 0.173 0.000 2.309 896 L HA 0.564 4.904 4.340 0.000 0.000 0.282 896 L C 0.227 177.149 176.870 0.088 0.000 1.036 896 L CA -0.859 54.046 54.840 0.109 0.000 0.806 896 L CB 1.549 43.664 42.059 0.092 0.000 1.220 896 L HN 0.639 nan 8.230 nan 0.000 0.429 897 R N 2.866 123.393 120.500 0.046 0.000 2.732 897 R HA 0.693 5.034 4.340 0.000 0.000 0.278 897 R C -2.780 173.514 176.300 -0.010 0.000 0.976 897 R CA -1.826 54.274 56.100 0.000 0.000 0.963 897 R CB 1.078 31.349 30.300 -0.048 0.000 1.150 897 R HN 0.247 nan 8.270 nan 0.000 0.478 898 P HA 0.082 nan 4.420 nan 0.000 0.274 898 P C -0.307 176.973 177.300 -0.032 0.000 1.256 898 P CA -0.552 62.535 63.100 -0.022 0.000 0.795 898 P CB 0.696 32.381 31.700 -0.025 0.000 1.038 899 L N 0.580 121.792 121.223 -0.019 0.000 2.485 899 L HA 0.021 4.362 4.340 0.000 0.000 0.275 899 L C 1.159 178.010 176.870 -0.033 0.000 1.207 899 L CA -0.114 54.714 54.840 -0.019 0.000 0.855 899 L CB -0.140 41.914 42.059 -0.008 0.000 1.114 899 L HN 0.575 nan 8.230 nan 0.000 0.485 900 C N 0.519 119.797 119.300 -0.037 0.000 2.345 900 C HA 0.282 4.742 4.460 0.000 0.000 0.370 900 C C 1.688 176.660 174.990 -0.031 0.000 1.209 900 C CA -0.827 58.163 59.018 -0.045 0.000 2.133 900 C CB 1.266 28.972 27.740 -0.057 0.000 2.293 900 C HN 1.021 nan 8.230 nan 0.000 0.544 901 E N 1.071 121.253 120.200 -0.031 0.000 2.086 901 E HA -0.299 4.051 4.350 0.000 0.000 0.205 901 E C 1.842 178.432 176.600 -0.017 0.000 1.027 901 E CA 2.208 58.595 56.400 -0.021 0.000 0.830 901 E CB -0.128 29.561 29.700 -0.020 0.000 0.751 901 E HN 0.746 nan 8.360 nan 0.000 0.456 902 K N -0.019 120.369 120.400 -0.019 0.000 2.209 902 K HA -0.138 4.183 4.320 0.000 0.000 0.204 902 K C 2.015 178.608 176.600 -0.011 0.000 1.048 902 K CA 1.514 57.792 56.287 -0.015 0.000 0.940 902 K CB -0.010 32.480 32.500 -0.018 0.000 0.729 902 K HN 0.259 nan 8.250 nan 0.000 0.451 903 E N 0.284 120.476 120.200 -0.013 0.000 2.371 903 E HA -0.017 4.333 4.350 0.000 0.000 0.194 903 E C 1.687 178.285 176.600 -0.004 0.000 1.012 903 E CA 0.484 56.879 56.400 -0.007 0.000 0.860 903 E CB 0.172 29.867 29.700 -0.009 0.000 0.811 903 E HN 0.304 nan 8.360 nan 0.000 0.502 904 I N 0.654 121.221 120.570 -0.006 0.000 2.703 904 I HA -0.129 4.041 4.170 0.000 0.000 0.259 904 I C 1.799 177.915 176.117 -0.002 0.000 1.151 904 I CA 0.278 61.576 61.300 -0.003 0.000 1.470 904 I CB 0.107 38.104 38.000 -0.005 0.000 1.112 904 I HN 0.108 nan 8.210 nan 0.000 0.437 905 I N 1.322 121.890 120.570 -0.004 0.000 2.546 905 I HA -0.132 4.038 4.170 0.000 0.000 0.255 905 I C 2.462 178.579 176.117 -0.001 0.000 1.163 905 I CA 1.055 62.353 61.300 -0.003 0.000 1.457 905 I CB -1.330 36.667 38.000 -0.004 0.000 1.092 905 I HN 0.118 nan 8.210 nan 0.000 0.434 906 A N 0.051 122.871 122.820 -0.000 0.000 2.251 906 A HA 0.012 4.332 4.320 0.000 0.000 0.209 906 A C 1.142 178.729 177.584 0.005 0.000 1.187 906 A CA -0.066 51.972 52.037 0.002 0.000 0.823 906 A CB -0.443 18.558 19.000 0.002 0.000 0.846 906 A HN 0.409 nan 8.150 nan 0.000 0.486 907 K N 0.330 120.732 120.400 0.004 0.000 3.071 907 K HA -0.136 4.184 4.320 0.000 0.000 0.265 907 K C -0.669 175.937 176.600 0.010 0.000 1.060 907 K CA 0.826 57.117 56.287 0.007 0.000 0.767 907 K CB -1.119 31.385 32.500 0.007 0.000 1.241 907 K HN 0.609 nan 8.250 nan 0.000 0.486 908 E N 1.376 121.582 120.200 0.010 0.000 2.392 908 E HA 0.130 4.481 4.350 0.000 0.000 0.259 908 E C 0.596 177.205 176.600 0.016 0.000 1.108 908 E CA 0.010 56.418 56.400 0.014 0.000 0.916 908 E CB 0.724 30.431 29.700 0.012 0.000 0.989 908 E HN 0.355 nan 8.360 nan 0.000 0.432 909 R N 0.740 121.253 120.500 0.022 0.000 2.803 909 R HA 0.428 4.768 4.340 0.000 0.000 0.276 909 R C -0.476 175.842 176.300 0.030 0.000 0.978 909 R CA -0.921 55.194 56.100 0.025 0.000 0.939 909 R CB 0.623 30.939 30.300 0.027 0.000 1.179 909 R HN 0.123 nan 8.270 nan 0.000 0.472 910 N N 0.735 119.453 118.700 0.030 0.000 2.434 910 N HA 0.060 4.800 4.740 0.000 0.000 0.268 910 N C 0.121 175.661 175.510 0.050 0.000 1.256 910 N CA 0.427 53.498 53.050 0.036 0.000 0.914 910 N CB 1.276 39.783 38.487 0.033 0.000 1.088 910 N HN 0.742 nan 8.380 nan 0.000 0.478 911 A N 3.906 126.761 122.820 0.059 0.000 2.348 911 A HA 0.232 4.552 4.320 0.000 0.000 0.224 911 A C 0.063 177.714 177.584 0.112 0.000 1.227 911 A CA 0.184 52.272 52.037 0.085 0.000 0.885 911 A CB 0.090 19.143 19.000 0.087 0.000 0.933 911 A HN 0.499 nan 8.150 nan 0.000 0.506 912 I N 0.136 120.761 120.570 0.091 0.000 2.545 912 I HA 0.521 4.691 4.170 0.000 0.000 0.292 912 I C -0.268 175.900 176.117 0.084 0.000 1.040 912 I CA -0.422 60.944 61.300 0.110 0.000 1.068 912 I CB 1.520 39.574 38.000 0.089 0.000 1.251 912 I HN 0.200 nan 8.210 nan 0.000 0.424 913 R N 2.112 122.665 120.500 0.087 0.000 2.867 913 R HA 0.614 4.955 4.340 0.000 0.000 0.268 913 R C -0.720 175.617 176.300 0.062 0.000 1.014 913 R CA -0.911 55.226 56.100 0.062 0.000 0.946 913 R CB 2.232 32.560 30.300 0.047 0.000 1.208 913 R HN 0.587 nan 8.270 nan 0.000 0.477 914 S N 0.617 116.344 115.700 0.044 0.000 2.594 914 S HA 0.208 4.679 4.470 0.000 0.000 0.322 914 S C 0.837 175.446 174.600 0.016 0.000 1.085 914 S CA -0.681 57.539 58.200 0.033 0.000 1.116 914 S CB 1.042 64.255 63.200 0.021 0.000 0.979 914 S HN 0.441 nan 8.310 nan 0.000 0.465 915 V N 4.509 124.434 119.914 0.018 0.000 2.221 915 V HA 0.000 4.120 4.120 0.000 0.000 0.242 915 V C 0.995 177.089 176.094 0.000 0.000 1.041 915 V CA 2.102 64.409 62.300 0.011 0.000 0.995 915 V CB -0.714 31.119 31.823 0.015 0.000 0.635 915 V HN 0.963 nan 8.190 nan 0.000 0.448 916 D N -2.185 118.212 120.400 -0.005 0.000 2.846 916 D HA 0.212 4.852 4.640 0.000 0.000 0.273 916 D C 0.515 176.723 176.300 -0.154 0.000 1.145 916 D CA -0.627 53.350 54.000 -0.038 0.000 1.091 916 D CB 0.301 41.125 40.800 0.041 0.000 1.364 916 D HN 0.087 nan 8.370 nan 0.000 0.613 917 E N -1.230 118.764 120.200 -0.343 0.000 2.478 917 E HA 0.066 4.416 4.350 0.000 0.000 0.198 917 E C 0.179 176.209 176.600 -0.951 0.000 1.046 917 E CA 0.630 56.593 56.400 -0.728 0.000 0.870 917 E CB -0.169 28.932 29.700 -0.997 0.000 0.818 917 E HN 0.388 nan 8.360 nan 0.000 0.527 918 F N -0.813 119.078 119.950 -0.099 0.000 2.817 918 F HA 0.208 4.735 4.527 0.000 0.000 0.333 918 F C 0.502 176.285 175.800 -0.029 0.000 1.085 918 F CA -0.222 57.734 58.000 -0.073 0.000 1.170 918 F CB 0.983 39.939 39.000 -0.074 0.000 1.066 918 F HN -0.287 nan 8.300 nan 0.000 0.564 919 T N 1.336 115.958 114.554 0.113 0.000 2.863 919 T HA 0.619 4.970 4.350 0.000 0.000 0.285 919 T C -1.050 173.700 174.700 0.083 0.000 1.009 919 T CA -0.641 61.510 62.100 0.084 0.000 0.989 919 T CB 2.742 71.640 68.868 0.051 0.000 1.004 919 T HN -0.146 nan 8.240 nan 0.000 0.455 920 V N 2.102 122.094 119.914 0.131 0.000 2.769 920 V HA 0.769 4.889 4.120 0.000 0.000 0.312 920 V C -1.017 175.163 176.094 0.144 0.000 1.061 920 V CA -0.670 61.719 62.300 0.150 0.000 0.931 920 V CB 1.869 33.823 31.823 0.219 0.000 1.010 920 V HN 0.981 nan 8.190 nan 0.000 0.433 921 E N 5.246 125.513 120.200 0.112 0.000 2.317 921 E HA 0.615 4.965 4.350 0.000 0.000 0.270 921 E C -1.722 174.933 176.600 0.092 0.000 0.885 921 E CA -0.627 55.803 56.400 0.050 0.000 0.760 921 E CB 1.843 31.541 29.700 -0.003 0.000 1.227 921 E HN 1.019 nan 8.360 nan 0.000 0.434 922 H N 2.136 121.230 119.070 0.039 0.000 2.990 922 H HA 0.378 4.934 4.556 0.000 0.000 0.336 922 H C -1.074 174.265 175.328 0.017 0.000 1.306 922 H CA -1.014 55.048 56.048 0.024 0.000 1.118 922 H CB 0.578 30.342 29.762 0.005 0.000 1.856 922 H HN 0.443 nan 8.280 nan 0.000 0.538 923 L N -0.817 120.519 121.223 0.188 0.000 2.375 923 L HA 0.484 4.824 4.340 0.000 0.000 0.271 923 L C -0.079 177.047 176.870 0.428 0.000 1.107 923 L CA -0.468 54.485 54.840 0.189 0.000 0.806 923 L CB 1.294 43.458 42.059 0.175 0.000 1.146 923 L HN 0.560 nan 8.230 nan 0.000 0.447 924 W N 1.382 122.737 121.300 0.092 0.000 3.052 924 W HA 0.318 4.978 4.660 0.000 0.000 0.366 924 W C 0.944 177.484 176.519 0.035 0.000 1.438 924 W CA -1.014 56.380 57.345 0.081 0.000 1.266 924 W CB 1.632 31.103 29.460 0.019 0.000 1.720 924 W HN 0.616 nan 8.180 nan 0.000 0.657 925 K N 0.016 120.451 120.400 0.058 0.000 2.020 925 K HA -0.227 4.093 4.320 0.000 0.000 0.212 925 K C 1.074 177.660 176.600 -0.023 0.000 1.050 925 K CA 1.851 58.077 56.287 -0.102 0.000 0.929 925 K CB -0.596 31.695 32.500 -0.347 0.000 0.714 925 K HN 0.176 nan 8.250 nan 0.000 0.443 926 D N 0.758 121.147 120.400 -0.019 0.000 2.390 926 D HA -0.130 4.510 4.640 0.000 0.000 0.235 926 D C -0.089 176.232 176.300 0.035 0.000 1.040 926 D CA 0.779 54.779 54.000 0.000 0.000 0.923 926 D CB -0.183 40.617 40.800 0.000 0.000 0.886 926 D HN 0.326 nan 8.370 nan 0.000 0.532 927 D N -0.365 120.076 120.400 0.068 0.000 3.051 927 D HA -0.162 4.478 4.640 0.000 0.000 0.218 927 D C 0.006 176.350 176.300 0.073 0.000 1.129 927 D CA 0.580 54.622 54.000 0.071 0.000 0.868 927 D CB -0.856 39.969 40.800 0.043 0.000 1.100 927 D HN 0.191 nan 8.370 nan 0.000 0.429 928 K N -0.109 120.351 120.400 0.101 0.000 2.526 928 K HA 0.847 5.167 4.320 0.000 0.000 0.256 928 K C -0.143 176.492 176.600 0.058 0.000 1.035 928 K CA 0.160 56.493 56.287 0.076 0.000 1.011 928 K CB 0.954 33.504 32.500 0.083 0.000 1.343 928 K HN 0.120 nan 8.250 nan 0.000 0.510 929 A N 1.067 123.884 122.820 -0.005 0.000 2.466 929 A HA 0.347 4.668 4.320 0.000 0.000 0.291 929 A C -1.043 176.432 177.584 -0.182 0.000 1.234 929 A CA -0.541 51.439 52.037 -0.094 0.000 0.752 929 A CB 0.268 19.230 19.000 -0.064 0.000 1.153 929 A HN 0.488 nan 8.150 nan 0.000 0.458 930 K N 2.215 122.391 120.400 -0.374 0.000 2.234 930 K HA 0.379 4.699 4.320 0.000 0.000 0.282 930 K C -0.306 176.011 176.600 -0.472 0.000 1.039 930 K CA -0.072 55.953 56.287 -0.436 0.000 0.928 930 K CB 0.590 32.740 32.500 -0.583 0.000 1.039 930 K HN 0.821 nan 8.250 nan 0.000 0.470 931 Q N 2.391 121.952 119.800 -0.399 0.000 2.306 931 Q HA 0.331 4.671 4.340 0.000 0.000 0.265 931 Q C -1.042 174.661 176.000 -0.494 0.000 1.022 931 Q CA -0.919 54.710 55.803 -0.290 0.000 0.853 931 Q CB 1.993 30.633 28.738 -0.163 0.000 1.327 931 Q HN 0.599 nan 8.270 nan 0.000 0.449 932 H N 1.427 120.435 119.070 -0.102 0.000 2.679 932 H HA 0.458 5.014 4.556 0.000 0.000 0.360 932 H C -0.761 174.352 175.328 -0.358 0.000 1.105 932 H CA -0.536 55.383 56.048 -0.215 0.000 1.196 932 H CB 1.624 31.326 29.762 -0.099 0.000 1.636 932 H HN 0.437 nan 8.280 nan 0.000 0.531 933 M N 2.596 121.922 119.600 -0.458 0.000 2.436 933 M HA 0.404 4.884 4.480 0.000 0.000 0.331 933 M C -1.326 174.539 176.300 -0.726 0.000 1.135 933 M CA -0.571 54.491 55.300 -0.397 0.000 0.987 933 M CB 1.723 34.207 32.600 -0.193 0.000 1.687 933 M HN 0.490 nan 8.290 nan 0.000 0.445 934 Y N -0.778 119.580 120.300 0.097 0.000 2.677 934 Y HA 0.255 4.805 4.550 0.000 0.000 0.334 934 Y C 0.775 176.761 175.900 0.142 0.000 1.154 934 Y CA -0.975 57.179 58.100 0.090 0.000 1.070 934 Y CB 0.739 39.241 38.460 0.071 0.000 1.294 934 Y HN 0.641 nan 8.280 nan 0.000 0.475 935 D N 0.271 120.874 120.400 0.338 0.000 2.264 935 D HA -0.071 4.569 4.640 0.000 0.000 0.208 935 D C 0.323 176.756 176.300 0.223 0.000 0.966 935 D CA 1.490 55.676 54.000 0.310 0.000 0.864 935 D CB 0.405 41.404 40.800 0.331 0.000 0.933 935 D HN 0.228 nan 8.370 nan 0.000 0.499 936 R N -0.402 120.100 120.500 0.003 0.000 2.633 936 R HA 0.258 4.598 4.340 0.000 0.000 0.255 936 R C -2.259 173.737 176.300 -0.506 0.000 1.106 936 R CA -0.371 55.402 56.100 -0.546 0.000 0.959 936 R CB 1.096 30.628 30.300 -1.280 0.000 1.259 936 R HN -0.276 nan 8.270 nan 0.000 0.453 937 V N 5.270 124.839 119.914 -0.576 0.000 2.444 937 V HA 0.577 4.697 4.120 0.000 0.000 0.294 937 V C -0.892 174.915 176.094 -0.478 0.000 1.022 937 V CA -0.560 61.539 62.300 -0.336 0.000 0.850 937 V CB 1.395 33.160 31.823 -0.097 0.000 0.992 937 V HN 0.586 nan 8.190 nan 0.000 0.426 938 F N 4.303 124.233 119.950 -0.032 0.000 2.415 938 F HA 0.447 4.974 4.527 0.000 0.000 0.348 938 F C 0.750 176.562 175.800 0.019 0.000 1.119 938 F CA -0.900 57.096 58.000 -0.008 0.000 1.069 938 F CB 1.063 40.097 39.000 0.056 0.000 1.124 938 F HN 0.643 nan 8.300 nan 0.000 0.472 939 D N 1.548 122.045 120.400 0.162 0.000 2.411 939 D HA 0.126 4.766 4.640 0.000 0.000 0.251 939 D C 1.412 177.783 176.300 0.119 0.000 1.201 939 D CA -0.316 53.749 54.000 0.108 0.000 0.996 939 D CB 0.866 41.702 40.800 0.059 0.000 1.101 939 D HN 0.619 nan 8.370 nan 0.000 0.504 940 G N -0.137 108.710 108.800 0.079 0.000 2.485 940 G HA2 -0.296 3.664 3.960 0.000 0.000 0.221 940 G HA3 -0.296 3.664 3.960 0.000 0.000 0.221 940 G C 1.197 176.131 174.900 0.056 0.000 1.115 940 G CA 0.366 45.501 45.100 0.058 0.000 0.751 940 G HN 0.540 nan 8.290 nan 0.000 0.567 941 N N 0.864 119.603 118.700 0.064 0.000 2.422 941 N HA 0.115 4.855 4.740 0.000 0.000 0.181 941 N C 1.213 176.773 175.510 0.084 0.000 1.080 941 N CA 0.489 53.575 53.050 0.061 0.000 0.893 941 N CB 0.085 38.600 38.487 0.048 0.000 0.973 941 N HN 0.293 nan 8.380 nan 0.000 0.456 942 A N 1.687 124.579 122.820 0.120 0.000 2.566 942 A HA 0.158 4.478 4.320 0.000 0.000 0.245 942 A C 1.015 178.660 177.584 0.101 0.000 1.056 942 A CA 0.056 52.181 52.037 0.148 0.000 0.757 942 A CB -0.222 18.934 19.000 0.260 0.000 0.979 942 A HN 0.306 nan 8.150 nan 0.000 0.508 943 T N 0.862 115.464 114.554 0.080 0.000 2.847 943 T HA 0.284 4.635 4.350 0.000 0.000 0.279 943 T C 0.975 175.687 174.700 0.019 0.000 0.984 943 T CA -0.472 61.669 62.100 0.069 0.000 0.988 943 T CB 0.764 69.668 68.868 0.059 0.000 1.040 943 T HN 0.600 nan 8.240 nan 0.000 0.528 944 Q N 0.431 120.230 119.800 -0.001 0.000 2.181 944 Q HA -0.135 4.205 4.340 0.000 0.000 0.205 944 Q C 1.776 177.759 176.000 -0.028 0.000 0.980 944 Q CA 2.000 57.745 55.803 -0.096 0.000 0.862 944 Q CB -0.628 27.997 28.738 -0.189 0.000 0.905 944 Q HN 0.936 nan 8.270 nan 0.000 0.429 945 D N 0.899 121.310 120.400 0.018 0.000 2.097 945 D HA -0.155 4.485 4.640 0.000 0.000 0.195 945 D C 1.234 177.593 176.300 0.099 0.000 0.989 945 D CA 1.309 55.356 54.000 0.079 0.000 0.827 945 D CB 0.127 40.965 40.800 0.064 0.000 0.966 945 D HN 0.123 nan 8.370 nan 0.000 0.456 946 D N -0.237 120.203 120.400 0.068 0.000 2.144 946 D HA -0.115 4.525 4.640 0.000 0.000 0.199 946 D C 2.283 178.625 176.300 0.069 0.000 0.984 946 D CA 0.587 54.647 54.000 0.100 0.000 0.834 946 D CB -0.095 40.787 40.800 0.138 0.000 0.955 946 D HN 0.212 nan 8.370 nan 0.000 0.465 947 V N 1.037 120.869 119.914 -0.135 0.000 2.307 947 V HA -0.214 3.907 4.120 0.000 0.000 0.245 947 V C 2.192 178.328 176.094 0.070 0.000 1.045 947 V CA 1.162 63.251 62.300 -0.353 0.000 1.024 947 V CB -0.584 30.982 31.823 -0.429 0.000 0.651 947 V HN 0.051 nan 8.190 nan 0.000 0.449 948 F N 1.473 121.403 119.950 -0.033 0.000 2.171 948 F HA -0.136 4.391 4.527 0.000 0.000 0.300 948 F C 2.284 178.149 175.800 0.109 0.000 1.090 948 F CA 1.911 59.934 58.000 0.037 0.000 1.293 948 F CB -0.279 38.711 39.000 -0.018 0.000 1.013 948 F HN 0.170 nan 8.300 nan 0.000 0.486 949 E N 0.199 120.387 120.200 -0.020 0.000 2.209 949 E HA -0.190 4.160 4.350 0.000 0.000 0.196 949 E C 1.410 178.001 176.600 -0.015 0.000 0.993 949 E CA 1.500 57.850 56.400 -0.084 0.000 0.819 949 E CB -0.340 29.384 29.700 0.040 0.000 0.745 949 E HN 0.348 nan 8.360 nan 0.000 0.477 950 D N -1.907 118.573 120.400 0.134 0.000 2.349 950 D HA 0.023 4.663 4.640 0.000 0.000 0.214 950 D C 1.065 177.637 176.300 0.452 0.000 1.063 950 D CA 0.912 55.078 54.000 0.278 0.000 0.847 950 D CB 0.591 41.570 40.800 0.297 0.000 0.933 950 D HN 0.263 nan 8.370 nan 0.000 0.513 951 T N -2.771 111.925 114.554 0.237 0.000 3.004 951 T HA 0.103 4.453 4.350 0.000 0.000 0.266 951 T C 1.542 176.098 174.700 -0.239 0.000 0.986 951 T CA -0.162 61.996 62.100 0.097 0.000 0.902 951 T CB 0.547 69.575 68.868 0.265 0.000 1.118 951 T HN -0.178 nan 8.240 nan 0.000 0.522 952 K N 0.806 120.982 120.400 -0.375 0.000 2.077 952 K HA -0.241 4.079 4.320 0.000 0.000 0.213 952 K C 1.972 178.453 176.600 -0.199 0.000 1.051 952 K CA 2.395 58.349 56.287 -0.556 0.000 0.929 952 K CB -0.557 31.600 32.500 -0.573 0.000 0.715 952 K HN 0.781 nan 8.250 nan 0.000 0.451 953 Y N -0.250 119.991 120.300 -0.099 0.000 2.241 953 Y HA -0.202 4.348 4.550 0.000 0.000 0.286 953 Y C 1.663 177.554 175.900 -0.015 0.000 1.166 953 Y CA 0.596 58.672 58.100 -0.039 0.000 1.203 953 Y CB -0.589 37.856 38.460 -0.025 0.000 0.977 953 Y HN -0.042 nan 8.280 nan 0.000 0.529 954 L N 0.512 121.281 121.223 -0.756 0.000 2.261 954 L HA -0.152 4.188 4.340 0.000 0.000 0.216 954 L C 2.364 179.139 176.870 -0.159 0.000 1.114 954 L CA 1.022 55.569 54.840 -0.489 0.000 0.777 954 L CB -1.202 40.543 42.059 -0.524 0.000 0.910 954 L HN 0.384 nan 8.230 nan 0.000 0.440 955 V N -0.951 118.920 119.914 -0.072 0.000 2.379 955 V HA -0.231 3.889 4.120 0.000 0.000 0.245 955 V C 2.485 178.593 176.094 0.023 0.000 1.044 955 V CA 1.252 63.566 62.300 0.024 0.000 1.036 955 V CB -0.448 31.436 31.823 0.101 0.000 0.664 955 V HN 0.361 nan 8.190 nan 0.000 0.453 956 Q N 0.591 120.411 119.800 0.033 0.000 2.119 956 Q HA -0.126 4.215 4.340 0.000 0.000 0.201 956 Q C 2.311 178.361 176.000 0.084 0.000 0.972 956 Q CA 1.997 57.828 55.803 0.047 0.000 0.847 956 Q CB -0.459 28.320 28.738 0.069 0.000 0.903 956 Q HN 0.562 nan 8.270 nan 0.000 0.433 957 S N 0.032 115.800 115.700 0.113 0.000 2.382 957 S HA -0.142 4.328 4.470 0.000 0.000 0.228 957 S C 1.816 176.556 174.600 0.232 0.000 1.027 957 S CA 0.924 59.259 58.200 0.225 0.000 0.991 957 S CB -0.517 62.754 63.200 0.118 0.000 0.823 957 S HN 0.603 nan 8.310 nan 0.000 0.469 958 A N 1.586 124.471 122.820 0.109 0.000 1.845 958 A HA -0.077 4.243 4.320 0.000 0.000 0.215 958 A C 2.475 180.095 177.584 0.059 0.000 1.195 958 A CA 1.843 53.929 52.037 0.082 0.000 0.616 958 A CB -1.280 17.742 19.000 0.037 0.000 0.832 958 A HN 0.573 nan 8.150 nan 0.000 0.443 959 V N -1.217 118.713 119.914 0.028 0.000 2.392 959 V HA -0.255 3.865 4.120 0.000 0.000 0.249 959 V C 1.594 177.689 176.094 0.001 0.000 1.059 959 V CA 2.652 64.961 62.300 0.016 0.000 1.051 959 V CB -1.202 30.599 31.823 -0.037 0.000 0.658 959 V HN 0.427 nan 8.190 nan 0.000 0.455 960 D N 1.291 121.696 120.400 0.007 0.000 2.354 960 D HA 0.125 4.765 4.640 0.000 0.000 0.216 960 D C 1.820 178.065 176.300 -0.091 0.000 0.970 960 D CA 1.763 55.750 54.000 -0.021 0.000 0.905 960 D CB -0.037 40.795 40.800 0.054 0.000 0.903 960 D HN 0.872 nan 8.370 nan 0.000 0.508 961 G N -1.395 107.367 108.800 -0.063 0.000 2.229 961 G HA2 -0.233 3.727 3.960 0.000 0.000 0.189 961 G HA3 -0.233 3.727 3.960 0.000 0.000 0.189 961 G C -0.055 174.767 174.900 -0.131 0.000 1.000 961 G CA -0.519 44.514 45.100 -0.112 0.000 0.663 961 G HN 0.216 nan 8.290 nan 0.000 0.493 962 Y N 0.983 121.293 120.300 0.017 0.000 2.326 962 Y HA 0.514 5.065 4.550 0.000 0.000 0.333 962 Y C 0.786 176.686 175.900 0.000 0.000 1.240 962 Y CA -0.305 57.801 58.100 0.010 0.000 1.365 962 Y CB 0.687 39.153 38.460 0.010 0.000 1.289 962 Y HN 0.169 nan 8.280 nan 0.000 0.548 963 N N 1.556 120.377 118.700 0.200 0.000 2.420 963 N HA 0.309 5.050 4.740 0.000 0.000 0.249 963 N C -1.697 173.850 175.510 0.061 0.000 1.033 963 N CA -0.132 52.975 53.050 0.095 0.000 0.944 963 N CB 0.476 39.005 38.487 0.070 0.000 1.113 963 N HN 0.329 nan 8.380 nan 0.000 0.502 964 V N 3.140 123.060 119.914 0.009 0.000 2.483 964 V HA 0.472 4.593 4.120 0.000 0.000 0.295 964 V C -0.196 175.827 176.094 -0.117 0.000 1.035 964 V CA -0.902 61.359 62.300 -0.065 0.000 0.896 964 V CB 1.292 33.052 31.823 -0.105 0.000 0.986 964 V HN 0.818 nan 8.190 nan 0.000 0.447 965 C N 6.785 126.015 119.300 -0.116 0.000 2.482 965 C HA 0.757 5.218 4.460 0.000 0.000 0.317 965 C C -0.759 174.171 174.990 -0.100 0.000 1.197 965 C CA -0.449 58.506 59.018 -0.105 0.000 1.432 965 C CB -0.043 27.696 27.740 -0.002 0.000 2.062 965 C HN 0.843 nan 8.230 nan 0.000 0.471 966 I N 6.885 127.346 120.570 -0.182 0.000 2.439 966 I HA 0.540 4.711 4.170 0.000 0.000 0.285 966 I C -0.449 175.730 176.117 0.104 0.000 1.021 966 I CA -0.272 60.962 61.300 -0.110 0.000 1.091 966 I CB 1.112 38.939 38.000 -0.289 0.000 1.242 966 I HN 0.713 nan 8.210 nan 0.000 0.439 967 F N 4.753 124.736 119.950 0.055 0.000 2.577 967 F HA 0.967 5.494 4.527 0.000 0.000 0.318 967 F C -0.582 175.340 175.800 0.203 0.000 1.065 967 F CA -1.030 57.034 58.000 0.107 0.000 0.929 967 F CB 1.415 40.463 39.000 0.080 0.000 1.237 967 F HN 0.355 nan 8.300 nan 0.000 0.468 968 A N 2.255 125.261 122.820 0.310 0.000 2.330 968 A HA 0.698 5.019 4.320 0.000 0.000 0.327 968 A C -2.222 175.584 177.584 0.369 0.000 1.155 968 A CA -0.667 51.515 52.037 0.241 0.000 0.803 968 A CB 0.796 19.884 19.000 0.147 0.000 1.208 968 A HN 0.932 nan 8.150 nan 0.000 0.477 969 Y N 1.084 121.487 120.300 0.172 0.000 2.421 969 Y HA 0.616 5.167 4.550 0.000 0.000 0.339 969 Y C 0.114 176.084 175.900 0.117 0.000 0.996 969 Y CA 0.299 58.512 58.100 0.188 0.000 1.046 969 Y CB 1.925 40.525 38.460 0.234 0.000 1.226 969 Y HN 1.313 nan 8.280 nan 0.000 0.445 970 G N 4.447 113.106 108.800 -0.234 0.000 2.325 970 G HA2 0.290 4.250 3.960 0.000 0.000 0.297 970 G HA3 0.290 4.250 3.960 0.000 0.000 0.297 970 G C -1.984 172.815 174.900 -0.169 0.000 1.448 970 G CA -0.971 44.068 45.100 -0.100 0.000 0.838 970 G HN 0.849 nan 8.290 nan 0.000 0.579 971 Q N -0.408 119.346 119.800 -0.077 0.000 2.417 971 Q HA 0.556 4.896 4.340 0.000 0.000 0.241 971 Q C -0.010 175.962 176.000 -0.047 0.000 1.008 971 Q CA -0.096 55.669 55.803 -0.064 0.000 0.901 971 Q CB 0.460 29.184 28.738 -0.022 0.000 1.259 971 Q HN 0.357 nan 8.270 nan 0.000 0.489 972 T N 1.312 115.839 114.554 -0.045 0.000 2.933 972 T HA 0.280 4.630 4.350 0.000 0.000 0.306 972 T C 1.098 175.782 174.700 -0.027 0.000 1.045 972 T CA 1.025 63.103 62.100 -0.037 0.000 1.143 972 T CB 0.100 68.946 68.868 -0.036 0.000 1.003 972 T HN 1.007 nan 8.240 nan 0.000 0.540 973 G N 2.006 110.791 108.800 -0.026 0.000 2.176 973 G HA2 -0.339 3.621 3.960 0.000 0.000 0.253 973 G HA3 -0.339 3.621 3.960 0.000 0.000 0.253 973 G C 1.187 176.076 174.900 -0.020 0.000 0.979 973 G CA 0.788 45.871 45.100 -0.028 0.000 0.641 973 G HN 0.988 nan 8.290 nan 0.000 0.530 974 S N -0.729 114.967 115.700 -0.006 0.000 2.446 974 S HA 0.428 4.898 4.470 0.000 0.000 0.225 974 S C 2.003 176.619 174.600 0.026 0.000 1.016 974 S CA 1.517 59.723 58.200 0.009 0.000 0.943 974 S CB 0.349 63.561 63.200 0.020 0.000 0.786 974 S HN 2.330 nan 8.310 nan 0.000 0.508 975 G N 0.899 109.725 108.800 0.043 0.000 2.155 975 G HA2 -0.133 3.827 3.960 0.000 0.000 0.130 975 G HA3 -0.133 3.827 3.960 0.000 0.000 0.130 975 G C 0.576 175.549 174.900 0.122 0.000 1.027 975 G CA 0.086 45.242 45.100 0.093 0.000 0.705 975 G HN 0.392 nan 8.290 nan 0.000 0.496 976 K N -0.135 120.319 120.400 0.089 0.000 1.991 976 K HA -0.071 4.249 4.320 0.000 0.000 0.212 976 K C 2.511 179.164 176.600 0.088 0.000 1.049 976 K CA 1.973 58.310 56.287 0.084 0.000 0.932 976 K CB -0.344 32.207 32.500 0.084 0.000 0.717 976 K HN 0.236 nan 8.250 nan 0.000 0.441 977 T N 1.070 115.697 114.554 0.121 0.000 2.788 977 T HA -0.144 4.206 4.350 0.000 0.000 0.268 977 T C 1.472 176.261 174.700 0.149 0.000 1.044 977 T CA 1.099 63.297 62.100 0.163 0.000 1.139 977 T CB -0.311 68.638 68.868 0.136 0.000 0.867 977 T HN 0.210 nan 8.240 nan 0.000 0.454 978 F N 1.647 121.598 119.950 0.002 0.000 2.171 978 F HA -0.167 4.360 4.527 0.000 0.000 0.300 978 F C 2.375 178.128 175.800 -0.078 0.000 1.090 978 F CA 1.213 59.199 58.000 -0.024 0.000 1.293 978 F CB -0.267 38.716 39.000 -0.028 0.000 1.013 978 F HN 0.077 nan 8.300 nan 0.000 0.486 979 T N 1.094 115.599 114.554 -0.081 0.000 2.809 979 T HA -0.076 4.274 4.350 0.000 0.000 0.260 979 T C 2.019 176.489 174.700 -0.383 0.000 1.039 979 T CA 1.279 63.202 62.100 -0.294 0.000 1.141 979 T CB -0.139 68.546 68.868 -0.305 0.000 0.869 979 T HN 0.071 nan 8.240 nan 0.000 0.437 980 I N -0.167 120.236 120.570 -0.278 0.000 2.202 980 I HA -0.041 4.129 4.170 0.000 0.000 0.242 980 I C 1.915 177.705 176.117 -0.546 0.000 1.091 980 I CA 1.754 62.841 61.300 -0.355 0.000 1.368 980 I CB -0.945 36.917 38.000 -0.231 0.000 1.058 980 I HN 0.299 nan 8.210 nan 0.000 0.410 981 Y N 0.174 120.336 120.300 -0.230 0.000 2.472 981 Y HA 0.421 4.971 4.550 0.000 0.000 0.288 981 Y C 1.686 177.407 175.900 -0.298 0.000 1.154 981 Y CA 0.709 58.659 58.100 -0.251 0.000 1.238 981 Y CB -0.549 37.815 38.460 -0.161 0.000 1.287 981 Y HN 0.260 nan 8.280 nan 0.000 0.524 982 G N 0.562 109.282 108.800 -0.133 0.000 2.760 982 G HA2 0.050 4.010 3.960 0.000 0.000 0.246 982 G HA3 0.050 4.010 3.960 0.000 0.000 0.246 982 G C -0.483 174.353 174.900 -0.108 0.000 1.359 982 G CA -0.719 44.178 45.100 -0.339 0.000 0.861 982 G HN 0.660 nan 8.290 nan 0.000 0.541 983 A N -0.613 122.157 122.820 -0.083 0.000 2.264 983 A HA 0.681 5.001 4.320 0.000 0.000 0.304 983 A C 0.959 178.509 177.584 -0.056 0.000 1.100 983 A CA 0.727 52.763 52.037 -0.002 0.000 0.839 983 A CB 0.640 19.689 19.000 0.081 0.000 1.121 983 A HN 1.525 nan 8.150 nan 0.000 0.496 984 D N -0.408 119.961 120.400 -0.051 0.000 2.413 984 D HA 0.042 4.682 4.640 0.000 0.000 0.237 984 D C 0.885 177.152 176.300 -0.054 0.000 1.171 984 D CA 0.781 54.740 54.000 -0.068 0.000 0.839 984 D CB -0.233 40.523 40.800 -0.074 0.000 0.950 984 D HN 0.372 nan 8.370 nan 0.000 0.499 985 S N -1.591 114.086 115.700 -0.038 0.000 2.692 985 S HA 0.115 4.585 4.470 0.000 0.000 0.269 985 S C 0.551 175.139 174.600 -0.020 0.000 1.080 985 S CA -0.535 57.652 58.200 -0.021 0.000 1.058 985 S CB 0.077 63.278 63.200 0.002 0.000 0.982 985 S HN 0.080 nan 8.310 nan 0.000 0.534 986 N N 2.785 121.466 118.700 -0.032 0.000 2.752 986 N HA 0.451 5.191 4.740 0.000 0.000 0.260 986 N C -3.333 172.051 175.510 -0.210 0.000 1.562 986 N CA -1.368 51.642 53.050 -0.066 0.000 0.788 986 N CB 1.484 40.008 38.487 0.063 0.000 1.192 986 N HN 0.161 nan 8.380 nan 0.000 0.503 987 P HA 0.034 nan 4.420 nan 0.000 0.262 987 P C 0.553 177.644 177.300 -0.348 0.000 1.182 987 P CA 0.281 63.231 63.100 -0.249 0.000 0.761 987 P CB 0.779 32.351 31.700 -0.213 0.000 0.795 988 G N 2.237 110.803 108.800 -0.389 0.000 2.582 988 G HA2 0.171 4.131 3.960 0.000 0.000 0.232 988 G HA3 0.171 4.131 3.960 0.000 0.000 0.232 988 G C 0.958 175.607 174.900 -0.419 0.000 1.458 988 G CA -0.590 44.244 45.100 -0.444 0.000 1.062 988 G HN 0.376 nan 8.290 nan 0.000 0.566 989 L N -0.577 120.408 121.223 -0.397 0.000 1.976 989 L HA -0.104 4.236 4.340 0.000 0.000 0.209 989 L C 3.289 179.838 176.870 -0.536 0.000 1.071 989 L CA 1.821 56.478 54.840 -0.305 0.000 0.746 989 L CB -1.027 40.974 42.059 -0.096 0.000 0.890 989 L HN 0.509 nan 8.230 nan 0.000 0.432 990 T N 0.607 114.616 114.554 -0.908 0.000 2.580 990 T HA -0.134 4.217 4.350 0.000 0.000 0.265 990 T C -0.470 173.827 174.700 -0.672 0.000 1.063 990 T CA 1.946 63.286 62.100 -1.268 0.000 1.170 990 T CB -1.493 66.557 68.868 -1.363 0.000 0.863 990 T HN 0.313 nan 8.240 nan 0.000 0.418 991 P HA -0.077 nan 4.420 nan 0.000 0.218 991 P C 1.300 178.385 177.300 -0.357 0.000 1.148 991 P CA 1.298 64.190 63.100 -0.347 0.000 0.822 991 P CB -0.082 31.454 31.700 -0.274 0.000 0.784 992 R N -0.204 119.973 120.500 -0.538 0.000 2.115 992 R HA 0.062 4.402 4.340 0.000 0.000 0.226 992 R C 2.547 178.404 176.300 -0.738 0.000 1.100 992 R CA 1.197 56.821 56.100 -0.793 0.000 0.980 992 R CB -0.790 28.674 30.300 -1.394 0.000 0.875 992 R HN 0.140 nan 8.270 nan 0.000 0.445 993 A N 0.897 123.428 122.820 -0.482 0.000 1.898 993 A HA -0.139 4.181 4.320 0.000 0.000 0.216 993 A C 2.010 179.638 177.584 0.073 0.000 1.181 993 A CA 1.157 53.202 52.037 0.013 0.000 0.620 993 A CB -0.223 18.913 19.000 0.227 0.000 0.819 993 A HN 0.077 nan 8.150 nan 0.000 0.442 994 M N -0.209 119.390 119.600 -0.000 0.000 2.159 994 M HA -0.076 4.404 4.480 0.000 0.000 0.263 994 M C 2.391 178.878 176.300 0.311 0.000 1.063 994 M CA 1.811 57.204 55.300 0.155 0.000 1.110 994 M CB -1.706 30.913 32.600 0.032 0.000 1.374 994 M HN 0.506 nan 8.290 nan 0.000 0.411 995 S N -0.014 115.790 115.700 0.174 0.000 2.383 995 S HA -0.173 4.297 4.470 0.000 0.000 0.227 995 S C 1.894 176.548 174.600 0.089 0.000 1.026 995 S CA 1.636 59.898 58.200 0.103 0.000 0.981 995 S CB -0.053 63.153 63.200 0.010 0.000 0.818 995 S HN 0.467 nan 8.310 nan 0.000 0.472 996 E N 0.811 121.085 120.200 0.125 0.000 2.150 996 E HA -0.074 4.276 4.350 0.000 0.000 0.193 996 E C 1.860 178.542 176.600 0.137 0.000 0.985 996 E CA 0.931 57.440 56.400 0.182 0.000 0.814 996 E CB -0.576 29.349 29.700 0.374 0.000 0.752 996 E HN 0.465 nan 8.360 nan 0.000 0.466 997 L N -0.338 120.987 121.223 0.170 0.000 2.046 997 L HA -0.057 4.283 4.340 0.000 0.000 0.208 997 L C 1.968 178.811 176.870 -0.044 0.000 1.077 997 L CA 1.813 56.696 54.840 0.072 0.000 0.747 997 L CB -0.699 41.446 42.059 0.143 0.000 0.896 997 L HN 0.236 nan 8.230 nan 0.000 0.432 998 F N -0.540 119.344 119.950 -0.110 0.000 2.206 998 F HA -0.088 4.439 4.527 0.000 0.000 0.298 998 F C 2.716 178.416 175.800 -0.167 0.000 1.090 998 F CA 1.195 59.091 58.000 -0.173 0.000 1.323 998 F CB -0.321 38.528 39.000 -0.252 0.000 1.028 998 F HN 0.054 nan 8.300 nan 0.000 0.492 999 R N 1.110 121.636 120.500 0.044 0.000 2.091 999 R HA -0.197 4.143 4.340 0.000 0.000 0.238 999 R C 2.100 178.383 176.300 -0.029 0.000 1.136 999 R CA 1.822 57.924 56.100 0.003 0.000 0.959 999 R CB -0.524 29.790 30.300 0.024 0.000 0.856 999 R HN 0.305 nan 8.270 nan 0.000 0.437 1000 I N 0.445 120.978 120.570 -0.063 0.000 2.163 1000 I HA -0.313 3.857 4.170 0.000 0.000 0.240 1000 I C 2.576 178.585 176.117 -0.180 0.000 1.081 1000 I CA 1.416 62.655 61.300 -0.101 0.000 1.353 1000 I CB -0.239 37.689 38.000 -0.121 0.000 1.054 1000 I HN 0.256 nan 8.210 nan 0.000 0.407 1001 M N 0.240 119.592 119.600 -0.413 0.000 2.149 1001 M HA -0.270 4.210 4.480 0.000 0.000 0.261 1001 M C 2.377 178.603 176.300 -0.122 0.000 1.064 1001 M CA 1.812 56.731 55.300 -0.635 0.000 1.102 1001 M CB -0.475 31.490 32.600 -1.059 0.000 1.369 1001 M HN 0.122 nan 8.290 nan 0.000 0.408 1002 K N 1.197 121.542 120.400 -0.093 0.000 2.097 1002 K HA -0.191 4.130 4.320 0.000 0.000 0.206 1002 K C 1.941 178.569 176.600 0.048 0.000 1.049 1002 K CA 1.554 57.846 56.287 0.007 0.000 0.933 1002 K CB 0.016 32.520 32.500 0.006 0.000 0.717 1002 K HN 0.373 nan 8.250 nan 0.000 0.442 1003 K N -0.879 119.544 120.400 0.038 0.000 2.305 1003 K HA -0.041 4.279 4.320 0.000 0.000 0.199 1003 K C 0.208 176.872 176.600 0.106 0.000 1.047 1003 K CA 1.248 57.571 56.287 0.060 0.000 0.976 1003 K CB 0.365 32.890 32.500 0.041 0.000 0.765 1003 K HN -0.005 nan 8.250 nan 0.000 0.474 1004 D N 1.203 121.697 120.400 0.156 0.000 2.525 1004 D HA 0.120 4.760 4.640 0.000 0.000 0.229 1004 D C 0.315 176.838 176.300 0.371 0.000 1.202 1004 D CA 0.014 54.173 54.000 0.266 0.000 0.828 1004 D CB 1.044 42.002 40.800 0.264 0.000 1.008 1004 D HN 0.168 nan 8.370 nan 0.000 0.493 1005 S N 1.012 116.870 115.700 0.262 0.000 2.428 1005 S HA -0.136 4.334 4.470 0.000 0.000 0.230 1005 S C 1.616 176.300 174.600 0.140 0.000 1.014 1005 S CA 0.554 58.890 58.200 0.228 0.000 0.957 1005 S CB -0.075 63.218 63.200 0.155 0.000 0.784 1005 S HN 0.450 nan 8.310 nan 0.000 0.499 1006 N N 0.687 119.458 118.700 0.119 0.000 2.461 1006 N HA 0.052 4.792 4.740 0.000 0.000 0.188 1006 N C 0.912 176.445 175.510 0.038 0.000 1.134 1006 N CA 0.424 53.513 53.050 0.065 0.000 0.878 1006 N CB 0.112 38.633 38.487 0.057 0.000 0.972 1006 N HN 0.065 nan 8.380 nan 0.000 0.456 1007 K N -1.068 119.381 120.400 0.081 0.000 2.529 1007 K HA 0.273 4.594 4.320 0.000 0.000 0.215 1007 K C -0.908 175.482 176.600 -0.349 0.000 1.286 1007 K CA 0.071 56.323 56.287 -0.059 0.000 0.997 1007 K CB 0.775 33.322 32.500 0.079 0.000 1.063 1007 K HN 0.102 nan 8.250 nan 0.000 0.590 1008 F N 0.512 120.352 119.950 -0.184 0.000 2.613 1008 F HA 0.316 4.843 4.527 0.000 0.000 0.310 1008 F C -0.046 175.447 175.800 -0.510 0.000 1.085 1008 F CA -1.158 56.584 58.000 -0.430 0.000 0.945 1008 F CB 1.871 40.411 39.000 -0.767 0.000 1.298 1008 F HN -0.234 nan 8.300 nan 0.000 0.455 1009 S N 1.143 116.635 115.700 -0.347 0.000 2.449 1009 S HA 0.809 5.279 4.470 0.000 0.000 0.310 1009 S C -1.232 173.153 174.600 -0.358 0.000 1.096 1009 S CA -0.519 57.541 58.200 -0.233 0.000 1.095 1009 S CB 0.613 63.745 63.200 -0.113 0.000 1.007 1009 S HN 0.328 nan 8.310 nan 0.000 0.474 1010 F N 1.354 121.328 119.950 0.039 0.000 2.470 1010 F HA 0.735 5.262 4.527 0.000 0.000 0.329 1010 F C 0.791 176.587 175.800 -0.007 0.000 1.072 1010 F CA -0.670 57.332 58.000 0.003 0.000 0.989 1010 F CB 2.252 41.215 39.000 -0.061 0.000 1.193 1010 F HN 0.649 nan 8.300 nan 0.000 0.481 1011 S N 2.672 118.497 115.700 0.210 0.000 2.733 1011 S HA 0.723 5.194 4.470 0.000 0.000 0.294 1011 S C -1.564 173.099 174.600 0.105 0.000 1.149 1011 S CA -0.411 57.862 58.200 0.121 0.000 1.034 1011 S CB 0.427 63.678 63.200 0.084 0.000 1.015 1011 S HN 0.446 nan 8.310 nan 0.000 0.486 1012 L N 5.660 126.933 121.223 0.082 0.000 2.329 1012 L HA 0.691 5.031 4.340 0.000 0.000 0.279 1012 L C -0.312 176.610 176.870 0.086 0.000 1.014 1012 L CA -0.142 54.742 54.840 0.074 0.000 0.814 1012 L CB 1.731 43.824 42.059 0.056 0.000 1.257 1012 L HN 0.654 nan 8.230 nan 0.000 0.424 1013 K N 2.679 123.134 120.400 0.091 0.000 2.502 1013 K HA 1.005 5.325 4.320 0.000 0.000 0.257 1013 K C -1.628 175.040 176.600 0.114 0.000 0.938 1013 K CA -0.813 55.536 56.287 0.102 0.000 0.819 1013 K CB 2.630 35.192 32.500 0.104 0.000 1.333 1013 K HN 0.527 nan 8.250 nan 0.000 0.434 1014 A N 1.528 124.422 122.820 0.123 0.000 2.566 1014 A HA 0.820 5.140 4.320 0.000 0.000 0.292 1014 A C -2.001 175.697 177.584 0.190 0.000 1.112 1014 A CA -0.857 51.240 52.037 0.100 0.000 0.707 1014 A CB 1.236 20.263 19.000 0.045 0.000 1.302 1014 A HN 0.929 nan 8.150 nan 0.000 0.409 1015 Y N -1.863 118.470 120.300 0.055 0.000 2.558 1015 Y HA 0.779 5.329 4.550 0.000 0.000 0.333 1015 Y C -1.175 174.761 175.900 0.060 0.000 1.125 1015 Y CA -1.217 56.912 58.100 0.049 0.000 1.039 1015 Y CB 1.458 39.944 38.460 0.042 0.000 1.331 1015 Y HN 0.803 nan 8.280 nan 0.000 0.456 1016 M N 4.673 124.389 119.600 0.193 0.000 2.267 1016 M HA 0.743 5.224 4.480 0.000 0.000 0.289 1016 M C -2.343 174.064 176.300 0.179 0.000 1.043 1016 M CA -0.893 54.475 55.300 0.113 0.000 0.928 1016 M CB 2.017 34.658 32.600 0.069 0.000 1.613 1016 M HN 0.835 nan 8.290 nan 0.000 0.450 1017 V N 3.921 123.942 119.914 0.180 0.000 2.876 1017 V HA 0.628 4.748 4.120 0.000 0.000 0.312 1017 V C -1.613 174.567 176.094 0.143 0.000 1.085 1017 V CA -0.284 62.116 62.300 0.167 0.000 0.945 1017 V CB 2.449 34.394 31.823 0.203 0.000 1.017 1017 V HN 0.965 nan 8.190 nan 0.000 0.428 1018 E N 3.779 124.057 120.200 0.129 0.000 2.210 1018 E HA 0.535 4.885 4.350 0.000 0.000 0.266 1018 E C -1.903 174.798 176.600 0.169 0.000 0.883 1018 E CA -0.845 55.639 56.400 0.140 0.000 0.761 1018 E CB 1.964 31.725 29.700 0.102 0.000 1.156 1018 E HN 0.597 nan 8.360 nan 0.000 0.412 1019 L N 5.886 127.242 121.223 0.222 0.000 2.298 1019 L HA 0.372 4.712 4.340 0.000 0.000 0.284 1019 L C -1.893 175.162 176.870 0.308 0.000 1.013 1019 L CA -0.613 54.381 54.840 0.257 0.000 0.824 1019 L CB 0.904 43.131 42.059 0.281 0.000 1.221 1019 L HN 0.563 nan 8.230 nan 0.000 0.418 1020 Y N 5.123 125.498 120.300 0.125 0.000 2.555 1020 Y HA 0.349 4.900 4.550 0.000 0.000 0.326 1020 Y C 0.244 176.205 175.900 0.102 0.000 0.984 1020 Y CA -0.486 57.666 58.100 0.086 0.000 1.298 1020 Y CB 0.353 38.838 38.460 0.042 0.000 1.094 1020 Y HN 0.824 nan 8.280 nan 0.000 0.500 1021 Q N 4.726 124.365 119.800 -0.268 0.000 2.459 1021 Q HA -0.254 4.086 4.340 0.000 0.000 0.322 1021 Q C -0.403 175.584 176.000 -0.023 0.000 1.427 1021 Q CA 1.343 57.022 55.803 -0.207 0.000 0.861 1021 Q CB -0.932 27.468 28.738 -0.564 0.000 1.137 1021 Q HN 0.999 nan 8.270 nan 0.000 0.394 1022 D N -1.607 118.833 120.400 0.067 0.000 3.006 1022 D HA -0.126 4.514 4.640 0.000 0.000 0.205 1022 D C -0.816 175.471 176.300 -0.021 0.000 1.075 1022 D CA 1.639 55.589 54.000 -0.083 0.000 1.000 1022 D CB -1.025 39.713 40.800 -0.104 0.000 1.097 1022 D HN 0.481 nan 8.370 nan 0.000 0.426 1023 T N 1.232 115.818 114.554 0.053 0.000 2.791 1023 T HA 0.527 4.877 4.350 0.000 0.000 0.288 1023 T C 0.339 175.105 174.700 0.110 0.000 0.999 1023 T CA -0.482 61.667 62.100 0.083 0.000 0.952 1023 T CB 1.860 70.809 68.868 0.135 0.000 0.938 1023 T HN 0.013 nan 8.240 nan 0.000 0.444 1024 L N 4.208 125.477 121.223 0.076 0.000 2.289 1024 L HA 0.663 5.003 4.340 0.000 0.000 0.285 1024 L C -0.697 176.220 176.870 0.078 0.000 1.049 1024 L CA -0.716 54.175 54.840 0.085 0.000 0.804 1024 L CB 1.436 43.530 42.059 0.059 0.000 1.195 1024 L HN 0.364 nan 8.230 nan 0.000 0.428 1025 V N 2.329 122.296 119.914 0.089 0.000 2.588 1025 V HA 0.231 4.351 4.120 0.000 0.000 0.304 1025 V C -0.496 175.642 176.094 0.074 0.000 1.042 1025 V CA -0.864 61.479 62.300 0.071 0.000 0.877 1025 V CB 2.154 34.017 31.823 0.067 0.000 0.996 1025 V HN 0.601 nan 8.190 nan 0.000 0.425 1026 D N 3.625 124.060 120.400 0.060 0.000 2.339 1026 D HA 0.261 4.901 4.640 0.000 0.000 0.241 1026 D C 0.727 177.062 176.300 0.059 0.000 1.183 1026 D CA 0.001 54.042 54.000 0.068 0.000 0.859 1026 D CB 1.324 42.153 40.800 0.049 0.000 1.067 1026 D HN 0.467 nan 8.370 nan 0.000 0.484 1027 L N 3.442 124.706 121.223 0.069 0.000 2.599 1027 L HA 0.072 4.412 4.340 0.000 0.000 0.230 1027 L C 1.560 178.454 176.870 0.039 0.000 1.141 1027 L CA 0.259 55.126 54.840 0.046 0.000 0.877 1027 L CB 0.111 42.194 42.059 0.042 0.000 1.009 1027 L HN 0.454 nan 8.230 nan 0.000 0.447 1028 L N -0.770 120.486 121.223 0.054 0.000 2.664 1028 L HA 0.155 4.496 4.340 0.000 0.000 0.233 1028 L C 0.596 177.488 176.870 0.037 0.000 1.113 1028 L CA -0.321 54.547 54.840 0.046 0.000 0.896 1028 L CB 0.461 42.560 42.059 0.067 0.000 1.163 1028 L HN 0.126 nan 8.230 nan 0.000 0.497 1029 L N 2.989 124.233 121.223 0.035 0.000 2.584 1029 L HA 0.140 4.480 4.340 0.000 0.000 0.272 1029 L C -1.891 174.989 176.870 0.017 0.000 1.195 1029 L CA -0.956 53.899 54.840 0.025 0.000 0.920 1029 L CB 0.054 42.127 42.059 0.023 0.000 1.173 1029 L HN -0.163 nan 8.230 nan 0.000 0.489 1030 P HA 0.019 nan 4.420 nan 0.000 0.267 1030 P C 0.147 177.451 177.300 0.007 0.000 1.201 1030 P CA -0.295 62.811 63.100 0.010 0.000 0.775 1030 P CB 0.524 32.230 31.700 0.010 0.000 0.854 1031 K N 1.870 122.272 120.400 0.003 0.000 1.988 1031 K HA -0.222 4.098 4.320 0.000 0.000 0.221 1031 K C 1.825 178.426 176.600 0.002 0.000 1.053 1031 K CA 2.028 58.316 56.287 0.001 0.000 0.959 1031 K CB -0.787 31.712 32.500 -0.002 0.000 0.728 1031 K HN 0.449 nan 8.250 nan 0.000 0.447 1032 Q N 0.257 120.059 119.800 0.002 0.000 2.226 1032 Q HA 0.038 4.378 4.340 0.000 0.000 0.204 1032 Q C 0.386 176.389 176.000 0.004 0.000 0.975 1032 Q CA 0.741 56.546 55.803 0.003 0.000 0.866 1032 Q CB -0.324 28.415 28.738 0.002 0.000 0.915 1032 Q HN 0.362 nan 8.270 nan 0.000 0.440 1033 A N 1.850 124.673 122.820 0.006 0.000 2.511 1033 A HA 0.185 4.505 4.320 0.000 0.000 0.242 1033 A C 0.063 177.651 177.584 0.007 0.000 1.069 1033 A CA -0.235 51.806 52.037 0.007 0.000 0.763 1033 A CB -0.063 18.942 19.000 0.009 0.000 1.001 1033 A HN 0.296 nan 8.150 nan 0.000 0.498 1034 K N 2.819 123.224 120.400 0.007 0.000 2.118 1034 K HA 0.454 4.774 4.320 0.000 0.000 0.264 1034 K C -0.103 176.502 176.600 0.008 0.000 1.000 1034 K CA -0.692 55.599 56.287 0.007 0.000 0.929 1034 K CB 0.851 33.355 32.500 0.006 0.000 1.021 1034 K HN 0.758 nan 8.250 nan 0.000 0.463 1035 R N 3.699 124.205 120.500 0.009 0.000 2.265 1035 R HA 0.338 4.678 4.340 0.000 0.000 0.319 1035 R C -0.729 175.576 176.300 0.008 0.000 1.006 1035 R CA -0.709 55.398 56.100 0.010 0.000 0.880 1035 R CB 0.427 30.735 30.300 0.013 0.000 1.077 1035 R HN 0.564 nan 8.270 nan 0.000 0.454 1036 L N 1.685 122.912 121.223 0.006 0.000 2.400 1036 L HA 0.388 4.728 4.340 0.000 0.000 0.264 1036 L C 0.670 177.542 176.870 0.003 0.000 1.061 1036 L CA -1.209 53.634 54.840 0.004 0.000 0.799 1036 L CB 0.886 42.946 42.059 0.001 0.000 1.240 1036 L HN 0.554 nan 8.230 nan 0.000 0.461 1037 K N 2.312 122.713 120.400 0.001 0.000 2.402 1037 K HA 0.188 4.508 4.320 0.000 0.000 0.285 1037 K C -0.905 175.692 176.600 -0.005 0.000 1.054 1037 K CA -0.040 56.246 56.287 0.000 0.000 1.001 1037 K CB 0.063 32.562 32.500 -0.002 0.000 0.946 1037 K HN 0.442 nan 8.250 nan 0.000 0.473 1038 L N 4.102 125.323 121.223 -0.004 0.000 2.331 1038 L HA 0.180 4.521 4.340 0.000 0.000 0.278 1038 L C 0.458 177.318 176.870 -0.017 0.000 1.106 1038 L CA -0.156 54.676 54.840 -0.012 0.000 0.824 1038 L CB 0.695 42.753 42.059 -0.003 0.000 1.142 1038 L HN 0.479 nan 8.230 nan 0.000 0.443 1039 D N 3.615 123.999 120.400 -0.026 0.000 2.408 1039 D HA 0.358 4.998 4.640 0.000 0.000 0.243 1039 D C -0.358 175.922 176.300 -0.034 0.000 1.075 1039 D CA -0.428 53.556 54.000 -0.026 0.000 0.832 1039 D CB 2.204 42.990 40.800 -0.024 0.000 1.162 1039 D HN 0.138 nan 8.370 nan 0.000 0.515 1040 I N 2.946 123.499 120.570 -0.029 0.000 2.441 1040 I HA 0.244 4.414 4.170 0.000 0.000 0.287 1040 I C 0.847 176.942 176.117 -0.037 0.000 1.049 1040 I CA 0.154 61.434 61.300 -0.033 0.000 1.381 1040 I CB 0.448 38.433 38.000 -0.025 0.000 1.409 1040 I HN 0.227 nan 8.210 nan 0.000 0.523 1041 K N 4.830 125.204 120.400 -0.043 0.000 2.308 1041 K HA 0.635 4.956 4.320 0.000 0.000 0.268 1041 K C -1.244 175.326 176.600 -0.049 0.000 0.992 1041 K CA -1.031 55.230 56.287 -0.043 0.000 0.836 1041 K CB 2.088 34.567 32.500 -0.035 0.000 1.507 1041 K HN 0.471 nan 8.250 nan 0.000 0.394 1042 K N 0.180 120.554 120.400 -0.044 0.000 2.532 1042 K HA 0.315 4.635 4.320 0.000 0.000 0.265 1042 K C -1.433 175.150 176.600 -0.028 0.000 0.948 1042 K CA -0.952 55.309 56.287 -0.042 0.000 0.842 1042 K CB 0.940 33.403 32.500 -0.062 0.000 1.392 1042 K HN 0.516 nan 8.250 nan 0.000 0.436 1043 D N 0.117 120.505 120.400 -0.019 0.000 2.447 1043 D HA 0.101 4.741 4.640 0.000 0.000 0.265 1043 D C 0.729 177.023 176.300 -0.010 0.000 1.250 1043 D CA -0.134 53.860 54.000 -0.010 0.000 1.046 1043 D CB 0.270 41.068 40.800 -0.003 0.000 1.095 1043 D HN 0.543 nan 8.370 nan 0.000 0.555 1044 S N -0.951 114.747 115.700 -0.004 0.000 2.419 1044 S HA -0.148 4.323 4.470 0.000 0.000 0.233 1044 S C 1.438 176.037 174.600 -0.002 0.000 1.016 1044 S CA 0.501 58.699 58.200 -0.003 0.000 0.974 1044 S CB -0.336 62.865 63.200 0.001 0.000 0.786 1044 S HN 0.362 nan 8.310 nan 0.000 0.492 1045 K N 0.950 121.350 120.400 -0.001 0.000 2.366 1045 K HA 0.175 4.495 4.320 0.000 0.000 0.198 1045 K C 1.606 178.206 176.600 -0.000 0.000 1.044 1045 K CA 0.799 57.087 56.287 0.002 0.000 0.973 1045 K CB -0.477 32.026 32.500 0.005 0.000 0.767 1045 K HN 0.656 nan 8.250 nan 0.000 0.475 1046 G N 1.234 110.028 108.800 -0.010 0.000 2.184 1046 G HA2 -0.239 3.721 3.960 0.000 0.000 0.206 1046 G HA3 -0.239 3.721 3.960 0.000 0.000 0.206 1046 G C 0.095 174.976 174.900 -0.032 0.000 0.995 1046 G CA 0.149 45.235 45.100 -0.025 0.000 0.651 1046 G HN 0.310 nan 8.290 nan 0.000 0.511 1047 M N 2.577 122.169 119.600 -0.014 0.000 2.162 1047 M HA 0.552 5.032 4.480 0.000 0.000 0.356 1047 M C 1.030 177.322 176.300 -0.014 0.000 1.303 1047 M CA -0.613 54.684 55.300 -0.005 0.000 1.116 1047 M CB 1.101 33.712 32.600 0.018 0.000 1.632 1047 M HN 0.578 nan 8.290 nan 0.000 0.469 1048 V N 3.751 123.653 119.914 -0.020 0.000 2.775 1048 V HA 0.767 4.887 4.120 0.000 0.000 0.299 1048 V C -0.283 175.815 176.094 0.007 0.000 1.062 1048 V CA -0.214 62.070 62.300 -0.025 0.000 1.063 1048 V CB 1.064 32.860 31.823 -0.044 0.000 0.994 1048 V HN 0.963 nan 8.190 nan 0.000 0.483 1049 S N 2.531 118.216 115.700 -0.024 0.000 2.564 1049 S HA 0.745 5.215 4.470 0.000 0.000 0.274 1049 S C -0.971 173.564 174.600 -0.109 0.000 1.124 1049 S CA -0.783 57.379 58.200 -0.064 0.000 0.869 1049 S CB 1.603 64.763 63.200 -0.068 0.000 1.105 1049 S HN 1.121 nan 8.310 nan 0.000 0.472 1050 V N 2.504 122.289 119.914 -0.216 0.000 2.304 1050 V HA 0.319 4.439 4.120 0.000 0.000 0.269 1050 V C 0.321 176.316 176.094 -0.165 0.000 1.036 1050 V CA -0.556 61.642 62.300 -0.170 0.000 0.840 1050 V CB 0.342 32.060 31.823 -0.175 0.000 1.036 1050 V HN 0.918 nan 8.190 nan 0.000 0.466 1051 E N 3.835 123.976 120.200 -0.099 0.000 2.442 1051 E HA 0.043 4.393 4.350 0.000 0.000 0.262 1051 E C 0.552 177.112 176.600 -0.066 0.000 1.004 1051 E CA 0.464 56.820 56.400 -0.074 0.000 0.928 1051 E CB 0.104 29.777 29.700 -0.045 0.000 0.937 1051 E HN 0.812 nan 8.360 nan 0.000 0.446 1052 N N -1.128 117.539 118.700 -0.056 0.000 2.936 1052 N HA -0.190 4.550 4.740 0.000 0.000 0.236 1052 N C -0.308 175.176 175.510 -0.044 0.000 0.930 1052 N CA 0.323 53.350 53.050 -0.038 0.000 0.966 1052 N CB -0.736 37.737 38.487 -0.023 0.000 1.090 1052 N HN 0.244 nan 8.380 nan 0.000 0.592 1053 V N 1.293 121.157 119.914 -0.083 0.000 2.732 1053 V HA 0.251 4.371 4.120 0.000 0.000 0.297 1053 V C 0.688 176.752 176.094 -0.050 0.000 1.060 1053 V CA 0.166 62.420 62.300 -0.076 0.000 1.038 1053 V CB 1.569 33.291 31.823 -0.168 0.000 1.003 1053 V HN 0.142 nan 8.190 nan 0.000 0.481 1054 T N 5.690 120.248 114.554 0.006 0.000 2.870 1054 T HA 0.342 4.692 4.350 0.000 0.000 0.300 1054 T C -0.337 174.402 174.700 0.065 0.000 0.989 1054 T CA -0.051 62.068 62.100 0.031 0.000 1.139 1054 T CB 0.755 69.650 68.868 0.046 0.000 0.920 1054 T HN 0.534 nan 8.240 nan 0.000 0.537 1055 V N 4.829 124.777 119.914 0.058 0.000 2.350 1055 V HA 0.309 4.429 4.120 0.000 0.000 0.285 1055 V C 0.109 176.257 176.094 0.090 0.000 1.014 1055 V CA -0.867 61.494 62.300 0.102 0.000 0.831 1055 V CB 1.562 33.426 31.823 0.068 0.000 1.000 1055 V HN 0.671 nan 8.190 nan 0.000 0.433 1056 V N 3.772 123.750 119.914 0.106 0.000 2.465 1056 V HA 0.294 4.414 4.120 0.000 0.000 0.279 1056 V C 0.613 176.755 176.094 0.079 0.000 1.045 1056 V CA -0.070 62.277 62.300 0.079 0.000 0.938 1056 V CB 1.807 33.672 31.823 0.070 0.000 0.986 1056 V HN 0.900 nan 8.190 nan 0.000 0.467 1057 S N 6.122 121.862 115.700 0.066 0.000 2.416 1057 S HA 0.426 4.896 4.470 0.000 0.000 0.287 1057 S C -0.040 174.603 174.600 0.072 0.000 1.139 1057 S CA -0.450 57.791 58.200 0.068 0.000 1.058 1057 S CB 0.148 63.382 63.200 0.057 0.000 0.967 1057 S HN 0.425 nan 8.310 nan 0.000 0.495 1058 I N 4.145 124.768 120.570 0.087 0.000 2.436 1058 I HA 0.089 4.259 4.170 0.000 0.000 0.289 1058 I C 1.366 177.554 176.117 0.118 0.000 1.083 1058 I CA 0.157 61.521 61.300 0.106 0.000 1.372 1058 I CB 0.381 38.464 38.000 0.139 0.000 1.408 1058 I HN 0.705 nan 8.210 nan 0.000 0.516 1059 S N 2.658 118.425 115.700 0.111 0.000 2.559 1059 S HA 0.165 4.635 4.470 0.000 0.000 0.226 1059 S C 0.651 175.340 174.600 0.148 0.000 1.000 1059 S CA -0.313 57.954 58.200 0.113 0.000 0.948 1059 S CB 0.508 63.756 63.200 0.080 0.000 0.870 1059 S HN 0.682 nan 8.310 nan 0.000 0.497 1060 T N -0.353 114.307 114.554 0.176 0.000 2.853 1060 T HA 0.400 4.750 4.350 0.000 0.000 0.311 1060 T C -0.435 174.385 174.700 0.201 0.000 1.307 1060 T CA -0.545 61.674 62.100 0.198 0.000 1.019 1060 T CB 1.059 69.987 68.868 0.100 0.000 1.264 1060 T HN 0.080 nan 8.240 nan 0.000 0.497 1061 Y N 2.021 122.283 120.300 -0.063 0.000 2.352 1061 Y HA 0.063 4.613 4.550 0.000 0.000 0.292 1061 Y C 1.959 177.665 175.900 -0.322 0.000 1.136 1061 Y CA 1.703 59.456 58.100 -0.578 0.000 1.227 1061 Y CB 0.229 38.154 38.460 -0.891 0.000 0.991 1061 Y HN 0.605 nan 8.280 nan 0.000 0.545 1062 E N 0.300 120.367 120.200 -0.222 0.000 2.216 1062 E HA -0.170 4.180 4.350 0.000 0.000 0.192 1062 E C 2.007 178.489 176.600 -0.197 0.000 0.988 1062 E CA 0.959 57.208 56.400 -0.251 0.000 0.834 1062 E CB -0.206 29.428 29.700 -0.110 0.000 0.772 1062 E HN 0.678 nan 8.360 nan 0.000 0.479 1063 E N 0.560 120.695 120.200 -0.108 0.000 2.077 1063 E HA -0.124 4.227 4.350 0.000 0.000 0.193 1063 E C 2.156 178.702 176.600 -0.090 0.000 0.989 1063 E CA 0.555 56.918 56.400 -0.061 0.000 0.800 1063 E CB 0.062 29.765 29.700 0.004 0.000 0.746 1063 E HN 0.157 nan 8.360 nan 0.000 0.452 1064 L N 0.440 121.588 121.223 -0.125 0.000 2.005 1064 L HA -0.177 4.163 4.340 0.000 0.000 0.207 1064 L C 2.529 179.264 176.870 -0.225 0.000 1.072 1064 L CA 1.254 56.014 54.840 -0.133 0.000 0.744 1064 L CB -0.256 41.743 42.059 -0.100 0.000 0.895 1064 L HN 0.082 nan 8.230 nan 0.000 0.433 1065 K N -0.628 119.529 120.400 -0.405 0.000 2.144 1065 K HA -0.253 4.067 4.320 0.000 0.000 0.209 1065 K C 1.946 178.408 176.600 -0.231 0.000 1.047 1065 K CA 2.244 58.292 56.287 -0.398 0.000 0.927 1065 K CB -0.230 31.950 32.500 -0.534 0.000 0.716 1065 K HN 0.544 nan 8.250 nan 0.000 0.454 1066 T N -1.148 113.298 114.554 -0.181 0.000 2.896 1066 T HA -0.011 4.339 4.350 0.000 0.000 0.263 1066 T C 1.914 176.558 174.700 -0.093 0.000 1.050 1066 T CA 0.666 62.692 62.100 -0.123 0.000 1.140 1066 T CB -0.273 68.538 68.868 -0.095 0.000 0.877 1066 T HN 0.085 nan 8.240 nan 0.000 0.457 1067 I N 1.771 122.293 120.570 -0.081 0.000 2.142 1067 I HA -0.074 4.096 4.170 0.000 0.000 0.240 1067 I C 2.547 178.641 176.117 -0.039 0.000 1.078 1067 I CA 1.781 63.053 61.300 -0.047 0.000 1.343 1067 I CB -0.460 37.525 38.000 -0.025 0.000 1.046 1067 I HN 0.326 nan 8.210 nan 0.000 0.405 1068 I N -0.248 120.294 120.570 -0.047 0.000 2.546 1068 I HA -0.239 3.931 4.170 0.000 0.000 0.255 1068 I C 2.325 178.438 176.117 -0.008 0.000 1.163 1068 I CA 1.454 62.767 61.300 0.020 0.000 1.457 1068 I CB -0.461 37.519 38.000 -0.032 0.000 1.092 1068 I HN 0.129 nan 8.210 nan 0.000 0.434 1069 Q N 1.311 121.063 119.800 -0.080 0.000 2.291 1069 Q HA -0.138 4.202 4.340 0.000 0.000 0.205 1069 Q C 2.302 178.222 176.000 -0.133 0.000 0.970 1069 Q CA 1.385 57.124 55.803 -0.106 0.000 0.876 1069 Q CB -0.387 28.283 28.738 -0.113 0.000 0.935 1069 Q HN 0.603 nan 8.270 nan 0.000 0.455 1070 R N -0.970 119.461 120.500 -0.115 0.000 2.064 1070 R HA -0.067 4.273 4.340 0.000 0.000 0.228 1070 R C 2.101 178.291 176.300 -0.183 0.000 1.144 1070 R CA 1.453 57.482 56.100 -0.117 0.000 0.932 1070 R CB -0.901 29.354 30.300 -0.075 0.000 0.833 1070 R HN 0.433 nan 8.270 nan 0.000 0.429 1071 G N -0.043 108.637 108.800 -0.199 0.000 2.469 1071 G HA2 -0.335 3.625 3.960 0.000 0.000 0.220 1071 G HA3 -0.335 3.625 3.960 0.000 0.000 0.220 1071 G C 1.460 175.890 174.900 -0.784 0.000 1.136 1071 G CA 1.177 46.065 45.100 -0.354 0.000 0.759 1071 G HN 0.456 nan 8.290 nan 0.000 0.562 1072 S N 0.310 115.506 115.700 -0.840 0.000 2.353 1072 S HA -0.188 4.282 4.470 0.000 0.000 0.222 1072 S C 2.293 176.663 174.600 -0.384 0.000 1.035 1072 S CA 1.963 59.700 58.200 -0.773 0.000 1.025 1072 S CB -0.425 62.606 63.200 -0.282 0.000 0.902 1072 S HN 0.649 nan 8.310 nan 0.000 0.440 1073 E N -0.031 120.017 120.200 -0.253 0.000 2.150 1073 E HA -0.222 4.128 4.350 0.000 0.000 0.193 1073 E C 2.046 178.575 176.600 -0.118 0.000 0.985 1073 E CA 1.363 57.673 56.400 -0.150 0.000 0.814 1073 E CB -0.383 29.239 29.700 -0.130 0.000 0.752 1073 E HN 0.594 nan 8.360 nan 0.000 0.466 1074 Q N 0.300 120.002 119.800 -0.163 0.000 2.437 1074 Q HA -0.077 4.264 4.340 0.000 0.000 0.210 1074 Q C 1.446 177.384 176.000 -0.104 0.000 0.972 1074 Q CA 1.060 56.792 55.803 -0.119 0.000 0.903 1074 Q CB 0.184 28.848 28.738 -0.123 0.000 0.967 1074 Q HN 0.114 nan 8.270 nan 0.000 0.486 1075 R N -1.246 119.173 120.500 -0.136 0.000 2.335 1075 R HA 0.102 4.442 4.340 0.000 0.000 0.210 1075 R C -0.113 176.171 176.300 -0.028 0.000 0.892 1075 R CA 0.058 56.105 56.100 -0.090 0.000 1.048 1075 R CB -0.445 29.775 30.300 -0.133 0.000 1.067 1075 R HN 0.372 nan 8.270 nan 0.000 0.524 1076 H N 2.291 121.308 119.070 -0.089 0.000 3.046 1076 H HA 0.020 4.577 4.556 0.000 0.000 0.303 1076 H C -0.053 175.251 175.328 -0.041 0.000 1.002 1076 H CA 0.025 56.041 56.048 -0.053 0.000 1.460 1076 H CB 0.634 30.363 29.762 -0.055 0.000 1.493 1076 H HN -0.009 nan 8.280 nan 0.000 0.559 1077 T N 2.365 116.587 114.554 -0.554 0.000 2.870 1077 T HA 0.098 4.448 4.350 0.000 0.000 0.300 1077 T C 0.888 175.255 174.700 -0.554 0.000 0.989 1077 T CA -0.013 61.834 62.100 -0.421 0.000 1.139 1077 T CB 1.180 69.895 68.868 -0.255 0.000 0.920 1077 T HN 0.757 nan 8.240 nan 0.000 0.537 1078 T N 2.860 117.267 114.554 -0.245 0.000 2.988 1078 T HA 0.350 4.700 4.350 0.000 0.000 0.240 1078 T C 1.437 176.093 174.700 -0.073 0.000 1.014 1078 T CA 0.420 62.454 62.100 -0.110 0.000 1.155 1078 T CB -0.405 68.452 68.868 -0.017 0.000 0.872 1078 T HN 0.835 nan 8.240 nan 0.000 0.440 1079 G N 1.252 110.013 108.800 -0.065 0.000 2.849 1079 G HA2 0.433 4.393 3.960 0.000 0.000 0.174 1079 G HA3 0.433 4.393 3.960 0.000 0.000 0.174 1079 G C 0.721 175.591 174.900 -0.050 0.000 1.370 1079 G CA 0.495 45.568 45.100 -0.045 0.000 1.040 1079 G HN 0.378 nan 8.290 nan 0.000 0.582 1080 T N -2.219 112.314 114.554 -0.035 0.000 3.130 1080 T HA 0.357 4.707 4.350 0.000 0.000 0.288 1080 T C 0.642 175.327 174.700 -0.024 0.000 0.936 1080 T CA -0.346 61.734 62.100 -0.032 0.000 0.897 1080 T CB -0.286 68.567 68.868 -0.025 0.000 1.178 1080 T HN 0.171 nan 8.240 nan 0.000 0.543 1081 L N 2.053 123.264 121.223 -0.021 0.000 2.426 1081 L HA 0.338 4.678 4.340 0.000 0.000 0.271 1081 L C 1.819 178.681 176.870 -0.013 0.000 1.169 1081 L CA -0.762 54.070 54.840 -0.013 0.000 0.836 1081 L CB 0.517 42.571 42.059 -0.008 0.000 1.112 1081 L HN 0.073 nan 8.230 nan 0.000 0.465 1082 M N 2.259 121.854 119.600 -0.007 0.000 2.446 1082 M HA -0.123 4.357 4.480 0.000 0.000 0.263 1082 M C 1.511 177.813 176.300 0.002 0.000 1.066 1082 M CA 1.076 56.373 55.300 -0.006 0.000 1.087 1082 M CB -1.070 31.528 32.600 -0.002 0.000 1.406 1082 M HN 0.720 nan 8.290 nan 0.000 0.459 1083 N N 0.385 119.090 118.700 0.009 0.000 2.314 1083 N HA -0.048 4.692 4.740 0.000 0.000 0.200 1083 N C 0.028 175.554 175.510 0.027 0.000 1.135 1083 N CA 0.025 53.092 53.050 0.028 0.000 0.835 1083 N CB -0.129 38.377 38.487 0.033 0.000 0.989 1083 N HN 0.385 nan 8.380 nan 0.000 0.478 1084 E N 1.121 121.322 120.200 0.002 0.000 2.376 1084 E HA -0.081 4.269 4.350 0.000 0.000 0.266 1084 E C 0.983 177.577 176.600 -0.010 0.000 1.009 1084 E CA -0.203 56.187 56.400 -0.017 0.000 0.902 1084 E CB 0.836 30.514 29.700 -0.036 0.000 0.972 1084 E HN 0.275 nan 8.360 nan 0.000 0.439 1085 Q N 2.798 122.573 119.800 -0.041 0.000 2.156 1085 Q HA -0.286 4.054 4.340 0.000 0.000 0.211 1085 Q C 1.713 177.695 176.000 -0.031 0.000 0.995 1085 Q CA 2.397 58.157 55.803 -0.072 0.000 0.877 1085 Q CB -0.124 28.491 28.738 -0.206 0.000 0.920 1085 Q HN 0.671 nan 8.270 nan 0.000 0.416 1086 S N -1.290 114.382 115.700 -0.046 0.000 2.474 1086 S HA -0.024 4.446 4.470 0.000 0.000 0.235 1086 S C 1.704 176.285 174.600 -0.033 0.000 0.997 1086 S CA 1.137 59.314 58.200 -0.040 0.000 0.949 1086 S CB 0.097 63.265 63.200 -0.053 0.000 0.766 1086 S HN 0.296 nan 8.310 nan 0.000 0.517 1087 S N 0.711 116.393 115.700 -0.030 0.000 2.503 1087 S HA 0.296 4.766 4.470 0.000 0.000 0.215 1087 S C 1.649 176.222 174.600 -0.045 0.000 1.003 1087 S CA -0.356 57.822 58.200 -0.037 0.000 0.910 1087 S CB 0.087 63.266 63.200 -0.035 0.000 0.790 1087 S HN 0.388 nan 8.310 nan 0.000 0.514 1088 R N 1.624 122.123 120.500 -0.003 0.000 2.308 1088 R HA 0.250 4.590 4.340 0.000 0.000 0.202 1088 R C 0.704 176.972 176.300 -0.053 0.000 0.898 1088 R CA 0.173 56.274 56.100 0.003 0.000 1.046 1088 R CB 0.089 30.480 30.300 0.151 0.000 1.026 1088 R HN 0.455 nan 8.270 nan 0.000 0.512 1089 S N 0.253 115.943 115.700 -0.017 0.000 2.621 1089 S HA 0.442 4.912 4.470 0.000 0.000 0.302 1089 S C -0.321 174.163 174.600 -0.194 0.000 1.093 1089 S CA -0.804 57.371 58.200 -0.042 0.000 1.017 1089 S CB 1.852 65.168 63.200 0.193 0.000 1.077 1089 S HN 0.136 nan 8.310 nan 0.000 0.517 1090 H N 1.097 120.232 119.070 0.108 0.000 2.467 1090 H HA 0.502 5.058 4.556 0.000 0.000 0.331 1090 H C -0.792 174.601 175.328 0.108 0.000 1.120 1090 H CA -0.569 55.535 56.048 0.094 0.000 1.270 1090 H CB 1.375 31.181 29.762 0.075 0.000 1.466 1090 H HN 0.490 nan 8.280 nan 0.000 0.504 1091 L N 4.262 125.623 121.223 0.229 0.000 2.365 1091 L HA 0.497 4.837 4.340 0.000 0.000 0.273 1091 L C -1.006 175.989 176.870 0.208 0.000 1.000 1091 L CA -0.783 54.173 54.840 0.194 0.000 0.819 1091 L CB 1.235 43.398 42.059 0.173 0.000 1.284 1091 L HN 0.538 nan 8.230 nan 0.000 0.418 1092 I N 5.250 125.923 120.570 0.172 0.000 2.512 1092 I HA 0.317 4.487 4.170 0.000 0.000 0.287 1092 I C -0.869 175.295 176.117 0.078 0.000 1.069 1092 I CA -0.598 60.782 61.300 0.135 0.000 1.056 1092 I CB 2.289 40.356 38.000 0.112 0.000 1.229 1092 I HN 0.236 nan 8.210 nan 0.000 0.429 1093 V N 5.796 125.753 119.914 0.070 0.000 2.459 1093 V HA 0.630 4.750 4.120 0.000 0.000 0.295 1093 V C -0.408 175.623 176.094 -0.104 0.000 1.029 1093 V CA 0.120 62.412 62.300 -0.014 0.000 0.874 1093 V CB 2.053 33.923 31.823 0.078 0.000 0.985 1093 V HN 0.781 nan 8.190 nan 0.000 0.438 1094 S N 4.606 120.083 115.700 -0.371 0.000 2.526 1094 S HA 0.744 5.214 4.470 0.000 0.000 0.293 1094 S C -0.996 173.456 174.600 -0.246 0.000 1.092 1094 S CA -0.551 57.426 58.200 -0.373 0.000 0.980 1094 S CB 1.958 64.749 63.200 -0.682 0.000 1.048 1094 S HN 0.658 nan 8.310 nan 0.000 0.483 1095 V N 3.672 123.547 119.914 -0.064 0.000 2.409 1095 V HA 0.438 4.558 4.120 0.000 0.000 0.290 1095 V C -0.862 175.259 176.094 0.044 0.000 1.017 1095 V CA -0.621 61.688 62.300 0.015 0.000 0.841 1095 V CB 1.000 32.861 31.823 0.065 0.000 1.003 1095 V HN 0.738 nan 8.190 nan 0.000 0.426 1096 I N 5.914 126.528 120.570 0.074 0.000 2.395 1096 I HA 0.363 4.533 4.170 0.000 0.000 0.289 1096 I C 0.069 176.231 176.117 0.076 0.000 1.023 1096 I CA 0.210 61.560 61.300 0.084 0.000 1.350 1096 I CB 0.969 39.035 38.000 0.110 0.000 1.409 1096 I HN 0.422 nan 8.210 nan 0.000 0.507 1097 I N 5.759 126.371 120.570 0.071 0.000 2.390 1097 I HA 0.320 4.490 4.170 0.000 0.000 0.283 1097 I C -0.136 176.046 176.117 0.109 0.000 1.016 1097 I CA -0.622 60.727 61.300 0.082 0.000 1.151 1097 I CB 1.145 39.179 38.000 0.056 0.000 1.293 1097 I HN 0.559 nan 8.210 nan 0.000 0.458 1098 E N 5.691 125.966 120.200 0.124 0.000 2.134 1098 E HA 0.420 4.770 4.350 0.000 0.000 0.278 1098 E C -0.657 176.026 176.600 0.138 0.000 0.959 1098 E CA -0.471 55.993 56.400 0.107 0.000 0.783 1098 E CB 1.142 30.887 29.700 0.075 0.000 1.095 1098 E HN 0.594 nan 8.360 nan 0.000 0.399 1099 S N 2.887 118.647 115.700 0.101 0.000 2.596 1099 S HA 0.415 4.886 4.470 0.000 0.000 0.318 1099 S C -0.561 174.059 174.600 0.033 0.000 1.097 1099 S CA -0.893 57.309 58.200 0.003 0.000 1.080 1099 S CB 1.555 64.760 63.200 0.008 0.000 0.991 1099 S HN 0.364 nan 8.310 nan 0.000 0.471 1100 T N 3.529 118.049 114.554 -0.058 0.000 2.744 1100 T HA 0.309 4.659 4.350 0.000 0.000 0.291 1100 T C 0.191 174.788 174.700 -0.172 0.000 0.957 1100 T CA -0.399 61.659 62.100 -0.069 0.000 1.002 1100 T CB 0.209 69.030 68.868 -0.079 0.000 0.919 1100 T HN 0.788 nan 8.240 nan 0.000 0.468 1101 N N 3.142 121.701 118.700 -0.235 0.000 2.429 1101 N HA 0.039 4.779 4.740 0.000 0.000 0.271 1101 N C 1.254 176.530 175.510 -0.390 0.000 1.272 1101 N CA -0.140 52.580 53.050 -0.551 0.000 0.921 1101 N CB 0.191 38.441 38.487 -0.395 0.000 1.128 1101 N HN 0.568 nan 8.380 nan 0.000 0.481 1102 L N 2.323 123.283 121.223 -0.438 0.000 2.447 1102 L HA -0.219 4.121 4.340 0.000 0.000 0.225 1102 L C 1.910 178.663 176.870 -0.195 0.000 1.148 1102 L CA 1.117 55.803 54.840 -0.257 0.000 0.808 1102 L CB -0.346 41.581 42.059 -0.220 0.000 0.928 1102 L HN 0.780 nan 8.230 nan 0.000 0.448 1103 Q N -3.398 116.271 119.800 -0.218 0.000 2.404 1103 Q HA 0.037 4.377 4.340 0.000 0.000 0.262 1103 Q C 1.537 177.462 176.000 -0.125 0.000 0.846 1103 Q CA 0.464 56.179 55.803 -0.148 0.000 0.978 1103 Q CB -0.005 28.652 28.738 -0.136 0.000 1.156 1103 Q HN 0.020 nan 8.270 nan 0.000 0.548 1104 T N 0.132 114.597 114.554 -0.148 0.000 3.051 1104 T HA 0.059 4.409 4.350 0.000 0.000 0.255 1104 T C 0.113 174.758 174.700 -0.093 0.000 1.085 1104 T CA 0.471 62.507 62.100 -0.106 0.000 1.109 1104 T CB 0.137 68.943 68.868 -0.103 0.000 0.921 1104 T HN 0.239 nan 8.240 nan 0.000 0.488 1105 Q N -0.886 118.845 119.800 -0.115 0.000 2.465 1105 Q HA -0.143 4.198 4.340 0.000 0.000 0.248 1105 Q C 0.110 176.069 176.000 -0.069 0.000 0.819 1105 Q CA 0.707 56.456 55.803 -0.089 0.000 1.219 1105 Q CB -2.124 26.576 28.738 -0.065 0.000 1.472 1105 Q HN 0.672 nan 8.270 nan 0.000 0.630 1106 A N 0.671 123.446 122.820 -0.075 0.000 2.409 1106 A HA 0.499 4.819 4.320 0.000 0.000 0.262 1106 A C 0.265 177.836 177.584 -0.022 0.000 1.113 1106 A CA -0.244 51.767 52.037 -0.042 0.000 0.790 1106 A CB 0.256 19.235 19.000 -0.035 0.000 1.046 1106 A HN 0.179 nan 8.150 nan 0.000 0.496 1107 I N 2.350 122.915 120.570 -0.009 0.000 2.304 1107 I HA 0.437 4.608 4.170 0.000 0.000 0.291 1107 I C 0.684 176.813 176.117 0.021 0.000 1.018 1107 I CA 0.421 61.725 61.300 0.006 0.000 1.260 1107 I CB 1.349 39.349 38.000 0.000 0.000 1.390 1107 I HN 0.657 nan 8.210 nan 0.000 0.475 1108 A N 7.113 129.959 122.820 0.044 0.000 2.304 1108 A HA 0.799 5.119 4.320 0.000 0.000 0.323 1108 A C 0.027 177.635 177.584 0.040 0.000 1.195 1108 A CA -0.692 51.368 52.037 0.038 0.000 0.826 1108 A CB 0.585 19.623 19.000 0.064 0.000 1.184 1108 A HN 0.685 nan 8.150 nan 0.000 0.496 1109 R N 2.766 123.280 120.500 0.023 0.000 2.487 1109 R HA 0.467 4.807 4.340 0.000 0.000 0.288 1109 R C 0.072 176.390 176.300 0.031 0.000 1.394 1109 R CA -0.034 56.088 56.100 0.036 0.000 1.155 1109 R CB 0.790 31.110 30.300 0.032 0.000 1.156 1109 R HN 0.909 nan 8.270 nan 0.000 0.553 1110 G N 1.793 110.617 108.800 0.041 0.000 2.511 1110 G HA2 0.345 4.305 3.960 0.000 0.000 0.316 1110 G HA3 0.345 4.305 3.960 0.000 0.000 0.316 1110 G C -1.233 173.699 174.900 0.054 0.000 1.210 1110 G CA -0.493 44.635 45.100 0.046 0.000 0.969 1110 G HN 0.395 nan 8.290 nan 0.000 0.492 1111 K N -0.634 119.797 120.400 0.052 0.000 2.501 1111 K HA 0.538 4.859 4.320 0.000 0.000 0.252 1111 K C -2.009 174.596 176.600 0.010 0.000 0.934 1111 K CA -0.772 55.539 56.287 0.041 0.000 0.797 1111 K CB 2.130 34.660 32.500 0.049 0.000 1.270 1111 K HN 0.288 nan 8.250 nan 0.000 0.431 1112 L N 2.564 123.786 121.223 -0.002 0.000 2.343 1112 L HA 0.500 4.840 4.340 0.000 0.000 0.278 1112 L C -1.274 175.551 176.870 -0.076 0.000 0.996 1112 L CA 0.101 54.911 54.840 -0.049 0.000 0.831 1112 L CB 1.696 43.774 42.059 0.032 0.000 1.232 1112 L HN 0.580 nan 8.230 nan 0.000 0.413 1113 S N 4.376 119.955 115.700 -0.202 0.000 2.557 1113 S HA 0.723 5.193 4.470 0.000 0.000 0.291 1113 S C -1.291 173.122 174.600 -0.311 0.000 1.116 1113 S CA -0.353 57.755 58.200 -0.153 0.000 0.992 1113 S CB 0.502 63.648 63.200 -0.091 0.000 1.028 1113 S HN 0.316 nan 8.310 nan 0.000 0.484 1114 F N 3.485 123.400 119.950 -0.058 0.000 2.426 1114 F HA 0.530 5.057 4.527 0.000 0.000 0.348 1114 F C -0.111 175.686 175.800 -0.005 0.000 1.124 1114 F CA -0.724 57.239 58.000 -0.062 0.000 1.008 1114 F CB 1.896 40.778 39.000 -0.197 0.000 1.139 1114 F HN 0.224 nan 8.300 nan 0.000 0.452 1115 V N 2.763 122.796 119.914 0.198 0.000 2.334 1115 V HA 0.243 4.364 4.120 0.000 0.000 0.281 1115 V C -0.676 175.573 176.094 0.257 0.000 1.016 1115 V CA -0.723 61.706 62.300 0.215 0.000 0.832 1115 V CB 1.410 33.348 31.823 0.191 0.000 0.999 1115 V HN 0.576 nan 8.190 nan 0.000 0.439 1116 D N 5.375 125.924 120.400 0.249 0.000 2.443 1116 D HA 0.381 5.021 4.640 0.000 0.000 0.221 1116 D C -0.108 176.334 176.300 0.236 0.000 1.097 1116 D CA -0.124 54.021 54.000 0.242 0.000 0.865 1116 D CB 0.926 41.900 40.800 0.291 0.000 1.034 1116 D HN 0.378 nan 8.370 nan 0.000 0.511 1117 L N 1.799 123.174 121.223 0.252 0.000 2.466 1117 L HA 0.433 4.773 4.340 0.000 0.000 0.257 1117 L C 1.153 178.077 176.870 0.090 0.000 1.189 1117 L CA -0.866 54.152 54.840 0.297 0.000 0.813 1117 L CB 0.734 42.981 42.059 0.313 0.000 1.118 1117 L HN 0.365 nan 8.230 nan 0.000 0.471 1118 A N 0.747 123.513 122.820 -0.089 0.000 2.366 1118 A HA 0.454 4.775 4.320 0.000 0.000 0.249 1118 A C 0.549 178.054 177.584 -0.132 0.000 1.084 1118 A CA 0.078 51.960 52.037 -0.258 0.000 0.794 1118 A CB 0.043 18.705 19.000 -0.564 0.000 1.034 1118 A HN 0.799 nan 8.150 nan 0.000 0.491 1119 G N 0.027 108.756 108.800 -0.117 0.000 2.391 1119 G HA2 0.296 4.256 3.960 0.000 0.000 0.234 1119 G HA3 0.296 4.256 3.960 0.000 0.000 0.234 1119 G C 1.075 175.886 174.900 -0.149 0.000 1.284 1119 G CA 0.401 45.431 45.100 -0.116 0.000 0.873 1119 G HN 1.470 nan 8.290 nan 0.000 0.549 1120 S N 0.654 116.215 115.700 -0.231 0.000 2.489 1120 S HA -0.039 4.432 4.470 0.000 0.000 0.228 1120 S C 1.027 175.597 174.600 -0.049 0.000 0.995 1120 S CA 0.655 58.704 58.200 -0.252 0.000 0.934 1120 S CB -0.145 62.740 63.200 -0.525 0.000 0.771 1120 S HN 0.798 nan 8.310 nan 0.000 0.522 1121 E N 1.864 122.043 120.200 -0.033 0.000 2.392 1121 E HA 0.157 4.507 4.350 0.000 0.000 0.264 1121 E C -0.633 175.978 176.600 0.018 0.000 1.024 1121 E CA -0.422 55.985 56.400 0.012 0.000 0.903 1121 E CB 0.457 30.160 29.700 0.005 0.000 0.963 1121 E HN 0.053 nan 8.360 nan 0.000 0.432 1122 R N 1.713 122.238 120.500 0.041 0.000 2.389 1122 R HA 0.212 4.553 4.340 0.000 0.000 0.295 1122 R C -0.705 175.610 176.300 0.024 0.000 1.075 1122 R CA -0.332 55.791 56.100 0.038 0.000 1.005 1122 R CB 0.900 31.233 30.300 0.054 0.000 0.987 1122 R HN 0.404 nan 8.270 nan 0.000 0.452 1123 V N 6.157 126.080 119.914 0.016 0.000 2.408 1123 V HA 0.195 4.315 4.120 0.000 0.000 0.267 1123 V C 0.140 176.244 176.094 0.016 0.000 1.047 1123 V CA -0.298 62.009 62.300 0.012 0.000 0.937 1123 V CB 0.676 32.502 31.823 0.005 0.000 0.999 1123 V HN 0.673 nan 8.190 nan 0.000 0.472 1124 K N 5.242 125.652 120.400 0.017 0.000 2.221 1124 K HA 0.605 4.925 4.320 0.000 0.000 0.258 1124 K C -0.441 176.168 176.600 0.015 0.000 0.944 1124 K CA -0.861 55.436 56.287 0.017 0.000 0.823 1124 K CB 2.164 34.675 32.500 0.019 0.000 1.113 1124 K HN 0.456 nan 8.250 nan 0.000 0.431 1125 K N 0.906 121.314 120.400 0.015 0.000 2.438 1125 K HA 0.057 4.377 4.320 0.000 0.000 0.206 1125 K C 0.445 177.053 176.600 0.013 0.000 1.081 1125 K CA -0.079 56.216 56.287 0.014 0.000 1.053 1125 K CB 1.102 33.611 32.500 0.014 0.000 0.908 1125 K HN 0.822 nan 8.250 nan 0.000 0.556 1126 S N 0.472 116.180 115.700 0.013 0.000 2.598 1126 S HA 0.205 4.675 4.470 0.000 0.000 0.256 1126 S C 0.792 175.398 174.600 0.011 0.000 1.350 1126 S CA -0.100 58.107 58.200 0.012 0.000 0.984 1126 S CB 0.835 64.043 63.200 0.013 0.000 0.930 1126 S HN 0.239 nan 8.310 nan 0.000 0.577 1127 G N 0.603 109.409 108.800 0.010 0.000 4.160 1127 G HA2 0.516 4.476 3.960 0.000 0.000 0.341 1127 G HA3 0.516 4.476 3.960 0.000 0.000 0.341 1127 G C -0.693 174.212 174.900 0.009 0.000 1.510 1127 G CA -0.586 44.520 45.100 0.010 0.000 1.011 1127 G HN 0.976 nan 8.290 nan 0.000 0.491 1128 S N 0.107 115.812 115.700 0.009 0.000 2.672 1128 S HA 0.758 5.228 4.470 0.000 0.000 0.291 1128 S C 0.229 174.834 174.600 0.009 0.000 1.145 1128 S CA -0.573 57.632 58.200 0.008 0.000 1.013 1128 S CB 1.863 65.068 63.200 0.008 0.000 1.017 1128 S HN 1.138 nan 8.310 nan 0.000 0.487 1129 A N 2.322 125.147 122.820 0.009 0.000 2.547 1129 A HA 0.666 4.987 4.320 0.000 0.000 0.233 1129 A C 1.072 178.661 177.584 0.009 0.000 1.067 1129 A CA 0.708 52.751 52.037 0.009 0.000 0.763 1129 A CB -0.629 18.376 19.000 0.008 0.000 1.007 1129 A HN 2.311 nan 8.150 nan 0.000 0.506 1130 G N 0.037 108.843 108.800 0.010 0.000 2.362 1130 G HA2 0.107 4.067 3.960 0.000 0.000 0.288 1130 G HA3 0.107 4.067 3.960 0.000 0.000 0.288 1130 G C 0.101 175.008 174.900 0.011 0.000 1.305 1130 G CA -0.064 45.042 45.100 0.010 0.000 0.910 1130 G HN 1.416 nan 8.290 nan 0.000 0.518 1131 N N -0.483 118.224 118.700 0.012 0.000 2.521 1131 N HA -0.075 4.665 4.740 0.000 0.000 0.188 1131 N C 1.731 177.250 175.510 0.014 0.000 1.146 1131 N CA 1.033 54.091 53.050 0.013 0.000 0.893 1131 N CB 0.118 38.614 38.487 0.014 0.000 0.975 1131 N HN 0.710 nan 8.380 nan 0.000 0.451 1132 Q N 0.869 120.677 119.800 0.014 0.000 2.137 1132 Q HA -0.022 4.319 4.340 0.000 0.000 0.198 1132 Q C 1.927 177.935 176.000 0.014 0.000 0.960 1132 Q CA 0.541 56.353 55.803 0.015 0.000 0.847 1132 Q CB -0.028 28.718 28.738 0.013 0.000 0.915 1132 Q HN 0.505 nan 8.270 nan 0.000 0.448 1133 L N 0.896 122.127 121.223 0.013 0.000 2.156 1133 L HA -0.104 4.237 4.340 0.000 0.000 0.208 1133 L C 2.787 179.665 176.870 0.014 0.000 1.095 1133 L CA 0.936 55.784 54.840 0.014 0.000 0.770 1133 L CB -0.301 41.766 42.059 0.013 0.000 0.914 1133 L HN 0.264 nan 8.230 nan 0.000 0.439 1134 K N 0.773 121.181 120.400 0.014 0.000 2.026 1134 K HA -0.271 4.049 4.320 0.000 0.000 0.208 1134 K C 1.771 178.378 176.600 0.013 0.000 1.048 1134 K CA 1.896 58.191 56.287 0.014 0.000 0.929 1134 K CB -0.188 32.320 32.500 0.013 0.000 0.713 1134 K HN 0.367 nan 8.250 nan 0.000 0.439 1135 E N -0.049 120.159 120.200 0.012 0.000 2.110 1135 E HA -0.159 4.191 4.350 0.000 0.000 0.193 1135 E C 1.845 178.447 176.600 0.004 0.000 0.988 1135 E CA 1.038 57.444 56.400 0.009 0.000 0.804 1135 E CB -0.108 29.601 29.700 0.016 0.000 0.745 1135 E HN 0.405 nan 8.360 nan 0.000 0.458 1136 A N 1.559 124.385 122.820 0.009 0.000 1.865 1136 A HA -0.327 3.993 4.320 0.000 0.000 0.217 1136 A C 2.184 179.773 177.584 0.008 0.000 1.191 1136 A CA 2.262 54.304 52.037 0.009 0.000 0.623 1136 A CB -0.965 18.043 19.000 0.013 0.000 0.826 1136 A HN 0.536 nan 8.150 nan 0.000 0.444 1137 Q N -0.597 119.211 119.800 0.013 0.000 2.167 1137 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 1137 Q C 1.946 177.957 176.000 0.017 0.000 0.970 1137 Q CA 2.034 57.848 55.803 0.018 0.000 0.855 1137 Q CB -0.439 28.312 28.738 0.021 0.000 0.911 1137 Q HN 0.466 nan 8.270 nan 0.000 0.438 1138 S N 1.218 116.925 115.700 0.012 0.000 2.348 1138 S HA -0.099 4.371 4.470 0.000 0.000 0.221 1138 S C 1.923 176.523 174.600 -0.001 0.000 1.033 1138 S CA 1.337 59.546 58.200 0.015 0.000 1.010 1138 S CB -0.379 62.824 63.200 0.005 0.000 0.891 1138 S HN 0.381 nan 8.310 nan 0.000 0.442 1139 I N 3.026 123.578 120.570 -0.029 0.000 2.113 1139 I HA -0.300 3.871 4.170 0.000 0.000 0.242 1139 I C 1.628 177.716 176.117 -0.048 0.000 1.057 1139 I CA 1.604 62.867 61.300 -0.063 0.000 1.314 1139 I CB -0.622 37.347 38.000 -0.051 0.000 1.022 1139 I HN 0.499 nan 8.210 nan 0.000 0.408 1140 N N 0.589 119.276 118.700 -0.021 0.000 2.313 1140 N HA -0.026 4.714 4.740 0.000 0.000 0.207 1140 N C 1.472 176.973 175.510 -0.015 0.000 1.141 1140 N CA -0.105 52.937 53.050 -0.013 0.000 0.830 1140 N CB 0.164 38.657 38.487 0.009 0.000 1.008 1140 N HN 0.403 nan 8.380 nan 0.000 0.481 1141 K N 1.938 122.326 120.400 -0.020 0.000 2.103 1141 K HA -0.122 4.198 4.320 0.000 0.000 0.204 1141 K C 2.132 178.649 176.600 -0.137 0.000 1.052 1141 K CA 1.418 57.699 56.287 -0.011 0.000 0.945 1141 K CB 0.060 32.605 32.500 0.074 0.000 0.722 1141 K HN 0.258 nan 8.250 nan 0.000 0.443 1142 S N 1.061 116.544 115.700 -0.362 0.000 2.368 1142 S HA -0.125 4.346 4.470 0.000 0.000 0.225 1142 S C 2.025 176.465 174.600 -0.266 0.000 1.030 1142 S CA 0.734 58.510 58.200 -0.707 0.000 0.999 1142 S CB -0.364 62.407 63.200 -0.716 0.000 0.844 1142 S HN 0.217 nan 8.310 nan 0.000 0.459 1143 L N 1.370 122.537 121.223 -0.095 0.000 2.217 1143 L HA 0.066 4.406 4.340 0.000 0.000 0.211 1143 L C 2.868 179.728 176.870 -0.015 0.000 1.107 1143 L CA 1.422 56.256 54.840 -0.009 0.000 0.783 1143 L CB -1.529 40.561 42.059 0.052 0.000 0.919 1143 L HN 0.475 nan 8.230 nan 0.000 0.442 1144 S N -0.414 115.279 115.700 -0.010 0.000 2.368 1144 S HA -0.089 4.381 4.470 0.000 0.000 0.224 1144 S C 2.115 176.711 174.600 -0.007 0.000 1.029 1144 S CA 1.167 59.382 58.200 0.025 0.000 0.988 1144 S CB 0.165 63.386 63.200 0.036 0.000 0.838 1144 S HN 0.477 nan 8.310 nan 0.000 0.462 1145 A N 1.253 124.050 122.820 -0.038 0.000 1.902 1145 A HA -0.021 4.299 4.320 0.000 0.000 0.217 1145 A C 2.094 179.632 177.584 -0.075 0.000 1.181 1145 A CA 1.567 53.585 52.037 -0.032 0.000 0.623 1145 A CB -0.875 18.123 19.000 -0.003 0.000 0.818 1145 A HN 0.529 nan 8.150 nan 0.000 0.443 1146 L N 0.232 121.384 121.223 -0.118 0.000 2.079 1146 L HA -0.070 4.270 4.340 0.000 0.000 0.210 1146 L C 2.341 179.078 176.870 -0.222 0.000 1.081 1146 L CA 2.321 57.065 54.840 -0.160 0.000 0.752 1146 L CB -0.951 41.012 42.059 -0.159 0.000 0.896 1146 L HN 0.303 nan 8.230 nan 0.000 0.433 1147 G N -1.345 107.307 108.800 -0.247 0.000 2.402 1147 G HA2 -0.244 3.717 3.960 0.000 0.000 0.216 1147 G HA3 -0.244 3.717 3.960 0.000 0.000 0.216 1147 G C 1.280 176.135 174.900 -0.075 0.000 1.162 1147 G CA 0.753 45.655 45.100 -0.330 0.000 0.777 1147 G HN 0.411 nan 8.290 nan 0.000 0.539 1148 D N 0.378 120.757 120.400 -0.035 0.000 2.104 1148 D HA -0.105 4.535 4.640 0.000 0.000 0.194 1148 D C 2.802 179.067 176.300 -0.059 0.000 0.994 1148 D CA 0.927 54.920 54.000 -0.012 0.000 0.830 1148 D CB -0.467 40.328 40.800 -0.008 0.000 0.959 1148 D HN 0.197 nan 8.370 nan 0.000 0.452 1149 V N 1.359 121.205 119.914 -0.113 0.000 2.295 1149 V HA -0.221 3.899 4.120 0.000 0.000 0.246 1149 V C 2.584 178.608 176.094 -0.117 0.000 1.049 1149 V CA 1.139 63.335 62.300 -0.174 0.000 1.024 1149 V CB -0.408 31.307 31.823 -0.180 0.000 0.648 1149 V HN 0.172 nan 8.190 nan 0.000 0.447 1150 I N 0.012 120.524 120.570 -0.098 0.000 2.163 1150 I HA -0.256 3.914 4.170 0.000 0.000 0.243 1150 I C 2.603 178.724 176.117 0.007 0.000 1.085 1150 I CA 1.775 63.044 61.300 -0.053 0.000 1.347 1150 I CB -0.471 37.466 38.000 -0.104 0.000 1.044 1150 I HN 0.249 nan 8.210 nan 0.000 0.408 1151 S N 0.591 116.313 115.700 0.037 0.000 2.356 1151 S HA -0.161 4.309 4.470 0.000 0.000 0.223 1151 S C 2.271 176.886 174.600 0.025 0.000 1.032 1151 S CA 1.342 59.582 58.200 0.066 0.000 1.005 1151 S CB -0.401 62.856 63.200 0.096 0.000 0.867 1151 S HN 0.548 nan 8.310 nan 0.000 0.449 1152 A N 1.361 124.176 122.820 -0.009 0.000 1.877 1152 A HA -0.041 4.279 4.320 0.000 0.000 0.216 1152 A C 2.151 179.718 177.584 -0.028 0.000 1.186 1152 A CA 1.271 53.294 52.037 -0.024 0.000 0.620 1152 A CB -0.768 18.190 19.000 -0.069 0.000 0.822 1152 A HN 0.443 nan 8.150 nan 0.000 0.443 1153 L N -0.913 120.285 121.223 -0.042 0.000 2.027 1153 L HA -0.136 4.205 4.340 0.000 0.000 0.206 1153 L C 2.910 179.783 176.870 0.005 0.000 1.074 1153 L CA 1.517 56.344 54.840 -0.022 0.000 0.745 1153 L CB -0.413 41.636 42.059 -0.017 0.000 0.898 1153 L HN 0.482 nan 8.230 nan 0.000 0.433 1154 S N -0.915 114.794 115.700 0.016 0.000 2.419 1154 S HA -0.146 4.324 4.470 0.000 0.000 0.233 1154 S C 1.963 176.578 174.600 0.025 0.000 1.016 1154 S CA 1.608 59.825 58.200 0.028 0.000 0.974 1154 S CB -0.073 63.154 63.200 0.045 0.000 0.786 1154 S HN 0.391 nan 8.310 nan 0.000 0.492 1155 S N -0.202 115.511 115.700 0.022 0.000 2.593 1155 S HA 0.337 4.807 4.470 0.000 0.000 0.217 1155 S C 1.352 175.962 174.600 0.016 0.000 0.966 1155 S CA 0.535 58.747 58.200 0.021 0.000 0.914 1155 S CB 0.120 63.334 63.200 0.023 0.000 0.776 1155 S HN 0.915 nan 8.310 nan 0.000 0.523 1156 G N 2.186 110.993 108.800 0.013 0.000 2.143 1156 G HA2 -0.272 3.688 3.960 0.000 0.000 0.249 1156 G HA3 -0.272 3.688 3.960 0.000 0.000 0.249 1156 G C -0.065 174.843 174.900 0.013 0.000 0.981 1156 G CA -0.115 44.993 45.100 0.013 0.000 0.665 1156 G HN 0.535 nan 8.290 nan 0.000 0.528 1157 N N -0.606 118.101 118.700 0.011 0.000 2.307 1157 N HA 0.260 5.000 4.740 0.000 0.000 0.230 1157 N C 1.274 176.794 175.510 0.017 0.000 1.297 1157 N CA 0.628 53.689 53.050 0.018 0.000 0.884 1157 N CB 0.250 38.749 38.487 0.021 0.000 1.115 1157 N HN 0.319 nan 8.380 nan 0.000 0.436 1158 Q N 0.348 120.171 119.800 0.038 0.000 2.349 1158 Q HA -0.012 4.328 4.340 0.000 0.000 0.209 1158 Q C -0.254 175.778 176.000 0.054 0.000 0.920 1158 Q CA 0.980 56.808 55.803 0.043 0.000 0.901 1158 Q CB 0.214 28.982 28.738 0.051 0.000 1.021 1158 Q HN 0.556 nan 8.270 nan 0.000 0.519 1159 H N 1.563 120.617 119.070 -0.028 0.000 2.640 1159 H HA 0.235 4.791 4.556 0.000 0.000 0.297 1159 H C -0.886 174.382 175.328 -0.100 0.000 1.073 1159 H CA -0.512 55.511 56.048 -0.043 0.000 1.305 1159 H CB 0.263 30.007 29.762 -0.030 0.000 1.404 1159 H HN 0.123 nan 8.280 nan 0.000 0.459 1160 I N 8.681 128.925 120.570 -0.544 0.000 2.312 1160 I HA 0.167 4.338 4.170 0.000 0.000 0.290 1160 I C -2.165 173.431 176.117 -0.869 0.000 1.008 1160 I CA -2.886 58.017 61.300 -0.662 0.000 1.226 1160 I CB 1.276 38.766 38.000 -0.850 0.000 1.371 1160 I HN 0.495 nan 8.210 nan 0.000 0.468 1161 P HA 0.035 nan 4.420 nan 0.000 0.231 1161 P C 0.248 177.414 177.300 -0.224 0.000 1.756 1161 P CA 0.036 62.947 63.100 -0.315 0.000 0.990 1161 P CB -0.182 31.489 31.700 -0.050 0.000 1.973 1162 Y N 1.160 121.390 120.300 -0.116 0.000 2.200 1162 Y HA -0.065 4.485 4.550 0.000 0.000 0.290 1162 Y C 2.498 178.378 175.900 -0.033 0.000 1.137 1162 Y CA 1.229 59.287 58.100 -0.070 0.000 1.163 1162 Y CB -0.715 37.700 38.460 -0.075 0.000 0.988 1162 Y HN 0.112 nan 8.280 nan 0.000 0.518 1163 R N 0.586 121.167 120.500 0.134 0.000 2.357 1163 R HA -0.111 4.229 4.340 0.000 0.000 0.202 1163 R C 1.076 177.415 176.300 0.066 0.000 1.047 1163 R CA 0.538 56.688 56.100 0.083 0.000 1.034 1163 R CB -0.381 29.959 30.300 0.066 0.000 0.875 1163 R HN 0.385 nan 8.270 nan 0.000 0.473 1164 N N -0.212 118.534 118.700 0.076 0.000 2.453 1164 N HA -0.099 4.641 4.740 0.000 0.000 0.183 1164 N C 0.007 175.597 175.510 0.133 0.000 1.041 1164 N CA 1.081 54.181 53.050 0.084 0.000 0.900 1164 N CB 0.036 38.567 38.487 0.073 0.000 0.961 1164 N HN 0.236 nan 8.380 nan 0.000 0.443 1165 H N -1.390 117.687 119.070 0.012 0.000 3.043 1165 H HA 0.132 4.688 4.556 0.000 0.000 0.317 1165 H C -0.111 175.213 175.328 -0.006 0.000 1.321 1165 H CA -0.473 55.576 56.048 0.000 0.000 1.243 1165 H CB 0.922 30.677 29.762 -0.010 0.000 1.924 1165 H HN -0.217 nan 8.280 nan 0.000 0.527 1166 K N 1.777 122.085 120.400 -0.153 0.000 2.152 1166 K HA -0.152 4.168 4.320 0.000 0.000 0.206 1166 K C 1.882 178.560 176.600 0.131 0.000 1.048 1166 K CA 1.552 57.838 56.287 -0.002 0.000 0.933 1166 K CB 0.151 32.602 32.500 -0.081 0.000 0.721 1166 K HN 0.219 nan 8.250 nan 0.000 0.447 1167 L N 1.570 122.986 121.223 0.322 0.000 1.989 1167 L HA -0.201 4.139 4.340 0.000 0.000 0.211 1167 L C 2.327 179.176 176.870 -0.035 0.000 1.071 1167 L CA 2.322 57.157 54.840 -0.009 0.000 0.749 1167 L CB -1.110 40.774 42.059 -0.292 0.000 0.890 1167 L HN 0.312 nan 8.230 nan 0.000 0.431 1168 T N -3.408 111.163 114.554 0.029 0.000 2.881 1168 T HA -0.204 4.146 4.350 0.000 0.000 0.270 1168 T C 1.827 176.582 174.700 0.090 0.000 1.068 1168 T CA 1.710 63.845 62.100 0.059 0.000 1.131 1168 T CB -0.498 68.428 68.868 0.098 0.000 0.871 1168 T HN 0.385 nan 8.240 nan 0.000 0.479 1169 M N 0.170 119.801 119.600 0.051 0.000 2.156 1169 M HA 0.118 4.598 4.480 0.000 0.000 0.264 1169 M C 2.155 178.415 176.300 -0.067 0.000 1.067 1169 M CA 0.973 56.263 55.300 -0.016 0.000 1.131 1169 M CB -0.365 32.232 32.600 -0.004 0.000 1.368 1169 M HN 0.136 nan 8.290 nan 0.000 0.416 1170 L N 0.150 121.352 121.223 -0.035 0.000 2.079 1170 L HA -0.135 4.205 4.340 0.000 0.000 0.210 1170 L C 1.832 178.662 176.870 -0.068 0.000 1.081 1170 L CA 1.837 56.657 54.840 -0.033 0.000 0.752 1170 L CB -0.756 41.296 42.059 -0.012 0.000 0.896 1170 L HN 0.455 nan 8.230 nan 0.000 0.433 1171 M N -1.132 118.411 119.600 -0.095 0.000 2.637 1171 M HA 0.057 4.537 4.480 0.000 0.000 0.286 1171 M C 1.645 177.869 176.300 -0.127 0.000 1.246 1171 M CA -0.045 55.181 55.300 -0.124 0.000 0.978 1171 M CB -0.037 32.445 32.600 -0.196 0.000 1.417 1171 M HN 0.172 nan 8.290 nan 0.000 0.487 1172 S N 0.018 115.574 115.700 -0.240 0.000 2.481 1172 S HA -0.121 4.349 4.470 0.000 0.000 0.231 1172 S C 1.184 175.516 174.600 -0.446 0.000 0.996 1172 S CA 1.281 59.099 58.200 -0.637 0.000 0.942 1172 S CB -0.306 62.330 63.200 -0.940 0.000 0.768 1172 S HN 0.580 nan 8.310 nan 0.000 0.520 1173 D N 1.462 121.731 120.400 -0.217 0.000 2.324 1173 D HA 0.088 4.729 4.640 0.000 0.000 0.212 1173 D C 1.695 177.964 176.300 -0.051 0.000 0.984 1173 D CA 0.799 54.727 54.000 -0.119 0.000 0.885 1173 D CB -0.852 39.900 40.800 -0.080 0.000 0.996 1173 D HN 0.409 nan 8.370 nan 0.000 0.505 1174 S N 0.104 115.775 115.700 -0.049 0.000 2.402 1174 S HA 0.002 4.472 4.470 0.000 0.000 0.229 1174 S C 0.669 175.281 174.600 0.020 0.000 1.021 1174 S CA 0.328 58.521 58.200 -0.011 0.000 0.974 1174 S CB 0.011 63.190 63.200 -0.035 0.000 0.800 1174 S HN 0.125 nan 8.310 nan 0.000 0.484 1175 L N 1.462 122.696 121.223 0.018 0.000 2.335 1175 L HA 0.568 4.908 4.340 0.000 0.000 0.268 1175 L C 1.093 178.042 176.870 0.132 0.000 1.037 1175 L CA 0.164 55.046 54.840 0.070 0.000 0.895 1175 L CB 0.092 42.185 42.059 0.057 0.000 1.266 1175 L HN 0.333 nan 8.230 nan 0.000 0.439 1176 G N 1.414 110.269 108.800 0.092 0.000 2.195 1176 G HA2 -0.229 3.731 3.960 0.000 0.000 0.246 1176 G HA3 -0.229 3.731 3.960 0.000 0.000 0.246 1176 G C 0.587 175.537 174.900 0.083 0.000 0.984 1176 G CA 0.052 45.214 45.100 0.103 0.000 0.633 1176 G HN 0.899 nan 8.290 nan 0.000 0.525 1177 G N -0.116 108.708 108.800 0.040 0.000 2.695 1177 G HA2 0.443 4.403 3.960 0.000 0.000 0.213 1177 G HA3 0.443 4.403 3.960 0.000 0.000 0.213 1177 G C 0.081 174.989 174.900 0.013 0.000 1.406 1177 G CA 0.272 45.371 45.100 -0.001 0.000 1.049 1177 G HN 0.628 nan 8.290 nan 0.000 0.573 1178 N N 0.568 119.272 118.700 0.007 0.000 2.868 1178 N HA 0.521 5.261 4.740 0.000 0.000 0.252 1178 N C -0.460 175.077 175.510 0.045 0.000 1.130 1178 N CA 0.164 53.234 53.050 0.035 0.000 1.026 1178 N CB -0.077 38.430 38.487 0.033 0.000 1.335 1178 N HN 0.740 nan 8.380 nan 0.000 0.516 1179 A N 2.133 124.980 122.820 0.044 0.000 2.597 1179 A HA 0.401 4.721 4.320 0.000 0.000 0.292 1179 A C -1.196 176.390 177.584 0.002 0.000 1.057 1179 A CA -0.887 51.172 52.037 0.038 0.000 0.674 1179 A CB 1.012 20.021 19.000 0.016 0.000 1.278 1179 A HN 0.365 nan 8.150 nan 0.000 0.416 1180 K N 1.411 121.791 120.400 -0.033 0.000 2.264 1180 K HA 0.546 4.866 4.320 0.000 0.000 0.277 1180 K C -0.872 175.687 176.600 -0.068 0.000 1.067 1180 K CA -0.032 56.202 56.287 -0.089 0.000 0.900 1180 K CB 1.326 33.714 32.500 -0.185 0.000 1.124 1180 K HN 0.676 nan 8.250 nan 0.000 0.469 1181 T N 3.208 117.738 114.554 -0.040 0.000 2.855 1181 T HA 0.415 4.765 4.350 0.000 0.000 0.281 1181 T C -1.132 173.519 174.700 -0.082 0.000 1.007 1181 T CA -0.661 61.428 62.100 -0.017 0.000 1.009 1181 T CB 1.043 69.963 68.868 0.087 0.000 0.983 1181 T HN 0.289 nan 8.240 nan 0.000 0.455 1182 L N 3.769 124.900 121.223 -0.152 0.000 2.381 1182 L HA 0.736 5.076 4.340 0.000 0.000 0.274 1182 L C -0.884 175.716 176.870 -0.450 0.000 0.988 1182 L CA -0.695 53.946 54.840 -0.331 0.000 0.824 1182 L CB 1.600 43.422 42.059 -0.396 0.000 1.263 1182 L HN 0.744 nan 8.230 nan 0.000 0.410 1183 M N 4.608 123.838 119.600 -0.617 0.000 2.294 1183 M HA 0.516 4.996 4.480 0.000 0.000 0.335 1183 M C -1.753 174.172 176.300 -0.626 0.000 1.079 1183 M CA -0.354 54.406 55.300 -0.900 0.000 0.982 1183 M CB 1.218 33.260 32.600 -0.929 0.000 1.651 1183 M HN 0.593 nan 8.290 nan 0.000 0.437 1184 F N 3.909 123.602 119.950 -0.427 0.000 2.415 1184 F HA 0.491 5.018 4.527 0.000 0.000 0.348 1184 F C -0.180 175.561 175.800 -0.099 0.000 1.119 1184 F CA -0.493 57.418 58.000 -0.148 0.000 1.069 1184 F CB 1.744 40.718 39.000 -0.043 0.000 1.124 1184 F HN 0.307 nan 8.300 nan 0.000 0.472 1185 V N 5.742 125.684 119.914 0.047 0.000 2.328 1185 V HA 0.423 4.543 4.120 0.000 0.000 0.278 1185 V C -0.735 175.426 176.094 0.112 0.000 1.021 1185 V CA -0.528 61.811 62.300 0.065 0.000 0.838 1185 V CB 0.603 32.351 31.823 -0.124 0.000 0.999 1185 V HN 0.758 nan 8.190 nan 0.000 0.447 1186 N N 7.404 126.197 118.700 0.154 0.000 2.479 1186 N HA 0.606 5.346 4.740 0.000 0.000 0.285 1186 N C -0.909 174.650 175.510 0.081 0.000 1.075 1186 N CA -0.427 52.699 53.050 0.127 0.000 0.967 1186 N CB 1.233 39.791 38.487 0.118 0.000 1.137 1186 N HN 0.484 nan 8.380 nan 0.000 0.472 1187 I N 0.392 121.002 120.570 0.066 0.000 2.647 1187 I HA 0.312 4.483 4.170 0.000 0.000 0.295 1187 I C -0.049 176.086 176.117 0.029 0.000 1.078 1187 I CA -0.707 60.616 61.300 0.038 0.000 1.048 1187 I CB 1.764 39.780 38.000 0.027 0.000 1.239 1187 I HN 0.454 nan 8.210 nan 0.000 0.421 1188 S N 6.586 122.294 115.700 0.015 0.000 2.508 1188 S HA 0.513 4.983 4.470 0.000 0.000 0.284 1188 S C -1.689 172.918 174.600 0.012 0.000 1.192 1188 S CA -1.261 56.944 58.200 0.008 0.000 1.070 1188 S CB 1.480 64.681 63.200 0.002 0.000 1.004 1188 S HN 0.516 nan 8.310 nan 0.000 0.493 1189 P HA 0.154 nan 4.420 nan 0.000 0.235 1189 P C 0.379 177.694 177.300 0.026 0.000 1.177 1189 P CA 0.159 63.274 63.100 0.026 0.000 0.785 1189 P CB -0.223 31.492 31.700 0.026 0.000 0.885 1190 A N 1.305 124.135 122.820 0.018 0.000 2.565 1190 A HA -0.094 4.226 4.320 0.000 0.000 0.237 1190 A C 1.656 179.258 177.584 0.029 0.000 1.053 1190 A CA 0.128 52.177 52.037 0.020 0.000 0.755 1190 A CB -0.292 18.715 19.000 0.012 0.000 0.980 1190 A HN 0.187 nan 8.150 nan 0.000 0.506 1191 E N 1.891 122.114 120.200 0.038 0.000 2.106 1191 E HA -0.171 4.179 4.350 0.000 0.000 0.192 1191 E C 1.919 178.550 176.600 0.051 0.000 0.984 1191 E CA 1.419 57.851 56.400 0.052 0.000 0.806 1191 E CB -0.064 29.669 29.700 0.055 0.000 0.750 1191 E HN 0.930 nan 8.360 nan 0.000 0.458 1192 S N 0.335 116.058 115.700 0.039 0.000 2.500 1192 S HA -0.067 4.403 4.470 0.000 0.000 0.239 1192 S C 1.273 175.895 174.600 0.038 0.000 0.989 1192 S CA 0.761 58.984 58.200 0.037 0.000 0.951 1192 S CB -0.106 63.109 63.200 0.026 0.000 0.759 1192 S HN 0.228 nan 8.310 nan 0.000 0.523 1193 N N 0.750 119.471 118.700 0.034 0.000 2.230 1193 N HA 0.324 5.065 4.740 0.000 0.000 0.202 1193 N C 1.183 176.710 175.510 0.029 0.000 1.119 1193 N CA -0.035 53.033 53.050 0.029 0.000 0.851 1193 N CB -0.038 38.458 38.487 0.015 0.000 0.990 1193 N HN 0.365 nan 8.380 nan 0.000 0.497 1194 L N 0.700 121.948 121.223 0.043 0.000 2.051 1194 L HA -0.234 4.107 4.340 0.000 0.000 0.214 1194 L C 1.824 178.738 176.870 0.072 0.000 1.076 1194 L CA 1.417 56.274 54.840 0.028 0.000 0.758 1194 L CB -0.164 41.967 42.059 0.120 0.000 0.890 1194 L HN 0.125 nan 8.230 nan 0.000 0.433 1195 D N -0.568 119.917 120.400 0.142 0.000 2.084 1195 D HA -0.184 4.457 4.640 0.000 0.000 0.194 1195 D C 2.128 178.520 176.300 0.153 0.000 0.990 1195 D CA 1.149 55.267 54.000 0.196 0.000 0.826 1195 D CB 0.049 40.937 40.800 0.146 0.000 0.971 1195 D HN 0.262 nan 8.370 nan 0.000 0.453 1196 E N 0.327 120.581 120.200 0.091 0.000 2.051 1196 E HA -0.108 4.242 4.350 0.000 0.000 0.192 1196 E C 2.220 178.849 176.600 0.049 0.000 0.991 1196 E CA 0.754 57.198 56.400 0.075 0.000 0.799 1196 E CB -0.718 29.011 29.700 0.049 0.000 0.748 1196 E HN 0.222 nan 8.360 nan 0.000 0.449 1197 T N 0.077 114.630 114.554 -0.002 0.000 2.653 1197 T HA -0.237 4.114 4.350 0.000 0.000 0.268 1197 T C 1.781 176.399 174.700 -0.137 0.000 1.035 1197 T CA 2.052 64.108 62.100 -0.074 0.000 1.154 1197 T CB -0.470 68.313 68.868 -0.142 0.000 0.862 1197 T HN 0.347 nan 8.240 nan 0.000 0.441 1198 H N 1.434 120.352 119.070 -0.253 0.000 2.389 1198 H HA 0.030 4.586 4.556 0.000 0.000 0.299 1198 H C 2.291 177.571 175.328 -0.080 0.000 1.081 1198 H CA 1.397 57.283 56.048 -0.271 0.000 1.345 1198 H CB -0.130 29.471 29.762 -0.268 0.000 1.393 1198 H HN 0.208 nan 8.280 nan 0.000 0.520 1199 N N -0.158 118.558 118.700 0.027 0.000 2.058 1199 N HA -0.139 4.601 4.740 0.000 0.000 0.191 1199 N C 2.061 177.575 175.510 0.008 0.000 1.037 1199 N CA 1.470 54.524 53.050 0.007 0.000 0.848 1199 N CB -0.415 38.136 38.487 0.107 0.000 1.021 1199 N HN 0.286 nan 8.380 nan 0.000 0.422 1200 S N 1.771 117.538 115.700 0.112 0.000 2.351 1200 S HA -0.054 4.416 4.470 0.000 0.000 0.220 1200 S C 2.231 176.863 174.600 0.054 0.000 1.035 1200 S CA 0.847 59.191 58.200 0.240 0.000 1.031 1200 S CB -0.514 62.815 63.200 0.216 0.000 0.928 1200 S HN 0.243 nan 8.310 nan 0.000 0.433 1201 L N 0.967 122.130 121.223 -0.101 0.000 2.081 1201 L HA -0.185 4.155 4.340 0.000 0.000 0.212 1201 L C 2.673 179.491 176.870 -0.086 0.000 1.080 1201 L CA 1.249 55.998 54.840 -0.152 0.000 0.754 1201 L CB -1.164 40.592 42.059 -0.505 0.000 0.893 1201 L HN 0.349 nan 8.230 nan 0.000 0.433 1202 T N -1.436 112.990 114.554 -0.212 0.000 2.674 1202 T HA -0.218 4.132 4.350 0.000 0.000 0.265 1202 T C 1.748 176.417 174.700 -0.052 0.000 1.039 1202 T CA 1.423 63.417 62.100 -0.177 0.000 1.150 1202 T CB -0.358 68.320 68.868 -0.317 0.000 0.864 1202 T HN 0.295 nan 8.240 nan 0.000 0.427 1203 Y N 1.019 121.280 120.300 -0.064 0.000 2.181 1203 Y HA -0.106 4.444 4.550 0.000 0.000 0.288 1203 Y C 2.787 178.613 175.900 -0.123 0.000 1.146 1203 Y CA 0.468 58.499 58.100 -0.116 0.000 1.164 1203 Y CB -0.259 38.055 38.460 -0.243 0.000 0.982 1203 Y HN 0.212 nan 8.280 nan 0.000 0.515 1204 A N -0.465 122.385 122.820 0.050 0.000 1.883 1204 A HA -0.234 4.086 4.320 0.000 0.000 0.217 1204 A C 2.343 180.046 177.584 0.198 0.000 1.186 1204 A CA 2.163 54.211 52.037 0.019 0.000 0.624 1204 A CB -1.060 17.864 19.000 -0.126 0.000 0.822 1204 A HN 0.391 nan 8.150 nan 0.000 0.444 1205 S N -0.564 115.327 115.700 0.318 0.000 2.400 1205 S HA -0.170 4.300 4.470 0.000 0.000 0.232 1205 S C 2.021 176.702 174.600 0.136 0.000 1.025 1205 S CA 1.476 59.829 58.200 0.254 0.000 0.993 1205 S CB -0.309 62.983 63.200 0.153 0.000 0.808 1205 S HN 0.611 nan 8.310 nan 0.000 0.478 1206 R N 0.413 120.987 120.500 0.122 0.000 2.092 1206 R HA 0.005 4.346 4.340 0.000 0.000 0.231 1206 R C 2.115 178.467 176.300 0.085 0.000 1.119 1206 R CA 1.073 57.234 56.100 0.102 0.000 0.970 1206 R CB -0.485 29.901 30.300 0.143 0.000 0.864 1206 R HN 0.263 nan 8.270 nan 0.000 0.440 1207 V N 1.107 121.072 119.914 0.084 0.000 2.515 1207 V HA -0.200 3.920 4.120 0.000 0.000 0.250 1207 V C 2.143 178.274 176.094 0.061 0.000 1.058 1207 V CA 1.550 63.889 62.300 0.066 0.000 1.064 1207 V CB -0.516 31.345 31.823 0.062 0.000 0.675 1207 V HN 0.282 nan 8.190 nan 0.000 0.461 1208 R N 0.959 121.504 120.500 0.076 0.000 2.152 1208 R HA -0.123 4.218 4.340 0.000 0.000 0.232 1208 R C 2.418 178.745 176.300 0.045 0.000 1.117 1208 R CA 1.590 57.731 56.100 0.068 0.000 0.981 1208 R CB -0.413 29.947 30.300 0.100 0.000 0.870 1208 R HN 0.707 nan 8.270 nan 0.000 0.451 1209 S N 0.205 115.931 115.700 0.044 0.000 2.527 1209 S HA 0.064 4.534 4.470 0.000 0.000 0.222 1209 S C 0.959 175.576 174.600 0.028 0.000 0.985 1209 S CA -0.008 58.210 58.200 0.030 0.000 0.921 1209 S CB -0.119 63.099 63.200 0.030 0.000 0.772 1209 S HN 0.095 nan 8.310 nan 0.000 0.529 1210 I N 2.627 123.217 120.570 0.034 0.000 2.556 1210 I HA 0.165 4.336 4.170 0.000 0.000 0.284 1210 I C -0.653 175.481 176.117 0.028 0.000 1.114 1210 I CA -0.398 60.921 61.300 0.033 0.000 1.418 1210 I CB 1.093 39.117 38.000 0.041 0.000 1.394 1210 I HN 0.019 nan 8.210 nan 0.000 0.552 1211 V N 6.733 126.663 119.914 0.025 0.000 2.357 1211 V HA 0.309 4.429 4.120 0.000 0.000 0.284 1211 V C 0.063 176.173 176.094 0.026 0.000 1.018 1211 V CA -0.802 61.510 62.300 0.021 0.000 0.841 1211 V CB 1.237 33.070 31.823 0.017 0.000 0.991 1211 V HN 0.643 nan 8.190 nan 0.000 0.437 1212 N N 2.524 121.238 118.700 0.023 0.000 2.447 1212 N HA 0.363 5.103 4.740 0.000 0.000 0.271 1212 N C -0.439 175.087 175.510 0.026 0.000 1.226 1212 N CA -0.577 52.489 53.050 0.027 0.000 0.980 1212 N CB 1.099 39.598 38.487 0.021 0.000 1.206 1212 N HN 0.788 nan 8.380 nan 0.000 0.558 1213 D N 0.160 120.581 120.400 0.035 0.000 2.502 1213 D HA 0.280 4.920 4.640 0.000 0.000 0.301 1213 D C -2.520 173.818 176.300 0.063 0.000 1.202 1213 D CA -1.634 52.392 54.000 0.043 0.000 0.878 1213 D CB 0.437 41.261 40.800 0.041 0.000 1.062 1213 D HN 0.241 nan 8.370 nan 0.000 0.499 1214 P HA 0.207 nan 4.420 nan 0.000 0.275 1214 P C -0.641 176.814 177.300 0.259 0.000 1.228 1214 P CA -0.376 62.812 63.100 0.146 0.000 0.786 1214 P CB 1.702 33.433 31.700 0.051 0.000 0.927 1215 S N 1.267 117.136 115.700 0.282 0.000 2.536 1215 S HA 0.291 4.761 4.470 0.000 0.000 0.271 1215 S C -0.719 173.854 174.600 -0.044 0.000 1.134 1215 S CA -0.853 57.443 58.200 0.161 0.000 0.897 1215 S CB 0.978 64.221 63.200 0.071 0.000 1.094 1215 S HN 0.253 nan 8.310 nan 0.000 0.473 1216 K N 2.562 122.770 120.400 -0.320 0.000 2.401 1216 K HA 0.073 4.393 4.320 0.000 0.000 0.278 1216 K C -0.222 176.263 176.600 -0.192 0.000 1.018 1216 K CA -0.032 55.965 56.287 -0.483 0.000 0.981 1216 K CB 0.164 32.378 32.500 -0.478 0.000 0.933 1216 K HN 0.516 nan 8.250 nan 0.000 0.477 1217 N N 2.927 121.540 118.700 -0.144 0.000 2.500 1217 N HA 0.165 4.905 4.740 0.000 0.000 0.236 1217 N C -1.168 174.312 175.510 -0.049 0.000 1.022 1217 N CA -0.557 52.456 53.050 -0.062 0.000 0.935 1217 N CB 0.579 39.050 38.487 -0.027 0.000 1.147 1217 N HN 0.336 nan 8.380 nan 0.000 0.512 1218 V N 0.114 120.004 119.914 -0.040 0.000 3.040 1218 V HA 0.845 4.965 4.120 0.000 0.000 0.312 1218 V C -0.316 175.770 176.094 -0.014 0.000 1.115 1218 V CA -0.648 61.639 62.300 -0.023 0.000 0.998 1218 V CB 1.730 33.538 31.823 -0.025 0.000 1.042 1218 V HN 0.455 nan 8.190 nan 0.000 0.433 1219 S N 1.029 116.724 115.700 -0.008 0.000 2.685 1219 S HA 0.868 5.338 4.470 0.000 0.000 0.282 1219 S C -0.306 174.288 174.600 -0.011 0.000 1.159 1219 S CA -0.198 57.996 58.200 -0.009 0.000 0.833 1219 S CB 1.997 65.193 63.200 -0.007 0.000 1.151 1219 S HN 1.487 nan 8.310 nan 0.000 0.485 1220 S N 0.236 115.929 115.700 -0.013 0.000 2.766 1220 S HA 0.541 5.011 4.470 0.000 0.000 0.307 1220 S C 0.737 175.326 174.600 -0.018 0.000 1.121 1220 S CA -0.888 57.301 58.200 -0.017 0.000 0.980 1220 S CB 0.902 64.093 63.200 -0.016 0.000 1.159 1220 S HN 0.621 nan 8.310 nan 0.000 0.546 1221 K N 0.726 121.113 120.400 -0.022 0.000 1.988 1221 K HA -0.197 4.123 4.320 0.000 0.000 0.221 1221 K C 1.986 178.576 176.600 -0.016 0.000 1.053 1221 K CA 2.214 58.488 56.287 -0.022 0.000 0.959 1221 K CB -0.588 31.898 32.500 -0.024 0.000 0.728 1221 K HN 0.614 nan 8.250 nan 0.000 0.447 1222 E N 0.566 120.758 120.200 -0.014 0.000 2.095 1222 E HA -0.227 4.123 4.350 0.000 0.000 0.212 1222 E C 2.060 178.654 176.600 -0.010 0.000 1.044 1222 E CA 1.704 58.098 56.400 -0.010 0.000 0.857 1222 E CB -0.816 28.879 29.700 -0.008 0.000 0.764 1222 E HN 0.113 nan 8.360 nan 0.000 0.462 1223 V N 1.022 120.930 119.914 -0.010 0.000 2.237 1223 V HA -0.289 3.831 4.120 0.000 0.000 0.245 1223 V C 2.263 178.351 176.094 -0.010 0.000 1.046 1223 V CA 2.031 64.326 62.300 -0.009 0.000 1.007 1223 V CB -1.177 30.642 31.823 -0.007 0.000 0.638 1223 V HN 0.398 nan 8.190 nan 0.000 0.445 1224 A N 0.875 123.688 122.820 -0.011 0.000 1.865 1224 A HA -0.324 3.996 4.320 0.000 0.000 0.217 1224 A C 2.318 179.895 177.584 -0.013 0.000 1.191 1224 A CA 2.687 54.718 52.037 -0.010 0.000 0.623 1224 A CB -0.694 18.300 19.000 -0.010 0.000 0.826 1224 A HN 0.584 nan 8.150 nan 0.000 0.444 1225 R N -0.616 119.876 120.500 -0.013 0.000 2.136 1225 R HA -0.201 4.139 4.340 0.000 0.000 0.242 1225 R C 1.747 178.038 176.300 -0.015 0.000 1.131 1225 R CA 2.339 58.432 56.100 -0.012 0.000 0.937 1225 R CB -0.964 29.330 30.300 -0.010 0.000 0.863 1225 R HN 0.337 nan 8.270 nan 0.000 0.435 1226 L N 0.767 121.979 121.223 -0.018 0.000 2.083 1226 L HA -0.055 4.285 4.340 0.000 0.000 0.209 1226 L C 2.371 179.216 176.870 -0.042 0.000 1.083 1226 L CA 1.852 56.675 54.840 -0.029 0.000 0.752 1226 L CB -0.747 41.299 42.059 -0.021 0.000 0.899 1226 L HN 0.245 nan 8.230 nan 0.000 0.433 1227 K N 0.200 120.583 120.400 -0.029 0.000 2.147 1227 K HA -0.206 4.114 4.320 0.000 0.000 0.205 1227 K C 2.129 178.705 176.600 -0.040 0.000 1.049 1227 K CA 1.498 57.768 56.287 -0.029 0.000 0.936 1227 K CB -0.177 32.314 32.500 -0.015 0.000 0.722 1227 K HN 0.154 nan 8.250 nan 0.000 0.446 1228 K N 0.102 120.482 120.400 -0.034 0.000 2.228 1228 K HA -0.008 4.313 4.320 0.000 0.000 0.202 1228 K C 1.595 178.162 176.600 -0.056 0.000 1.051 1228 K CA 0.848 57.114 56.287 -0.033 0.000 0.960 1228 K CB 0.046 32.536 32.500 -0.017 0.000 0.743 1228 K HN 0.193 nan 8.250 nan 0.000 0.458 1229 L N 1.813 122.994 121.223 -0.070 0.000 2.552 1229 L HA -0.002 4.338 4.340 0.000 0.000 0.227 1229 L C 1.135 177.827 176.870 -0.297 0.000 1.146 1229 L CA -0.041 54.730 54.840 -0.114 0.000 0.858 1229 L CB 0.010 42.026 42.059 -0.072 0.000 0.969 1229 L HN -0.011 nan 8.230 nan 0.000 0.451 1230 V N -2.942 116.829 119.914 -0.239 0.000 1.959 1230 V HA 0.068 4.188 4.120 0.000 0.000 0.242 1230 V C 1.111 176.970 176.094 -0.391 0.000 1.613 1230 V CA 0.732 62.840 62.300 -0.321 0.000 1.566 1230 V CB -0.158 31.590 31.823 -0.125 0.000 1.547 1230 V HN 0.289 nan 8.190 nan 0.000 0.503 1231 S N 2.824 118.205 115.700 -0.531 0.000 2.979 1231 S HA 0.307 4.777 4.470 0.000 0.000 0.243 1231 S C 0.673 174.921 174.600 -0.587 0.000 1.036 1231 S CA 0.212 58.181 58.200 -0.385 0.000 0.846 1231 S CB 0.045 63.170 63.200 -0.124 0.000 0.806 1231 S HN 0.904 nan 8.310 nan 0.000 0.568 1232 Y N -0.189 119.738 120.300 -0.623 0.000 2.374 1232 Y HA 0.754 5.304 4.550 0.000 0.000 0.322 1232 Y C -0.234 175.070 175.900 -0.993 0.000 1.275 1232 Y CA -1.314 56.441 58.100 -0.575 0.000 1.307 1232 Y CB 0.356 38.642 38.460 -0.290 0.000 1.282 1232 Y HN 0.242 nan 8.280 nan 0.000 0.509 1246 L N 2.849 124.073 121.223 0.002 0.000 2.554 1246 L HA 0.000 4.341 4.340 0.000 0.000 0.293 1246 L C 0.536 177.399 176.870 -0.010 0.000 1.252 1246 L CA 1.062 55.897 54.840 -0.008 0.000 0.862 1246 L CB -0.085 41.965 42.059 -0.015 0.000 1.113 1246 L HN 0.234 nan 8.230 nan 0.000 0.510 1247 E N 1.535 121.726 120.200 -0.015 0.000 2.281 1247 E HA 0.345 4.695 4.350 0.000 0.000 0.262 1247 E C -0.888 175.701 176.600 -0.020 0.000 0.933 1247 E CA -1.032 55.359 56.400 -0.015 0.000 0.809 1247 E CB 1.528 31.220 29.700 -0.014 0.000 1.242 1247 E HN 0.399 nan 8.360 nan 0.000 0.418 1248 E N 0.874 121.065 120.200 -0.015 0.000 2.392 1248 E HA 0.140 4.490 4.350 0.000 0.000 0.256 1248 E C -0.057 176.530 176.600 -0.020 0.000 1.145 1248 E CA -0.075 56.316 56.400 -0.015 0.000 0.929 1248 E CB 0.586 30.283 29.700 -0.005 0.000 0.998 1248 E HN 0.333 nan 8.360 nan 0.000 0.442 1249 I N 3.256 123.813 120.570 -0.022 0.000 2.281 1249 I HA -0.000 4.170 4.170 0.000 0.000 0.293 1249 I C 0.927 177.050 176.117 0.009 0.000 1.085 1249 I CA -0.105 61.174 61.300 -0.035 0.000 1.257 1249 I CB -0.012 37.955 38.000 -0.055 0.000 1.430 1249 I HN 0.300 nan 8.210 nan 0.000 0.489 1250 Q N 5.185 124.996 119.800 0.018 0.000 2.312 1250 Q HA 0.270 4.610 4.340 0.000 0.000 0.236 1250 Q C -0.784 175.281 176.000 0.108 0.000 0.965 1250 Q CA -0.649 55.185 55.803 0.052 0.000 0.894 1250 Q CB 1.659 30.420 28.738 0.040 0.000 1.225 1250 Q HN 0.371 nan 8.270 nan 0.000 0.478 1251 D N 1.794 122.240 120.400 0.078 0.000 2.896 1251 D HA 0.142 4.782 4.640 0.000 0.000 0.240 1251 D C -0.435 175.826 176.300 -0.066 0.000 1.193 1251 D CA 0.390 54.379 54.000 -0.018 0.000 0.983 1251 D CB 0.323 40.993 40.800 -0.216 0.000 1.074 1251 D HN 0.536 nan 8.370 nan 0.000 0.496 1252 E N 0.000 120.243 120.200 0.072 0.000 2.725 1252 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1252 E CA 0.000 56.434 56.400 0.056 0.000 0.976 1252 E CB 0.000 29.736 29.700 0.059 0.000 0.812 1252 E HN 0.000 nan 8.360 nan 0.000 0.440