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 3n7j_1_A DATA FIRST_RESID 862 DATA SEQUENCE NSINDSKILS LQNKKNALVD TSGYNAEVRV GDNVQLNTIY TNDFKLSSSG DATA SEQUENCE DKIIVNLNNN ILXXXIYENS SVSFWIKISK DLTNSHNEYT IINSIEQNSG DATA SEQUENCE WKLCIRNGNI EWILQDVNRK YKSLIFDYSE SLSHTGYTNK WFFVTITNNI DATA SEQUENCE MGYMKLYING ELKQSQKIED LDEVKLDKTI VFGIDENIDE NQMLWIRDFN DATA SEQUENCE IFSKELSNED INIVYEGQIL RNVIKDYWGN PLKFDTEYYI INDNYIDRYI DATA SEQUENCE APESNVLVLV QYPDRSKLYT GNPITIKSVS DKNPYSRILN GDNIILHMLY DATA SEQUENCE NSRKYMIIRD TDTIYAXXXX XXXQNCVYAL KLQSNLGNYG IGIFSIKNIV DATA SEQUENCE SKNKYCSQIF SSFRENTMLL ADIYKPWRFS FKNAYTPVAV TNYETKLLST DATA SEQUENCE SSFWKFISRD PGWVE 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 862 N HA 0.000 nan 4.740 nan 0.000 0.220 862 N C 0.000 175.538 175.510 0.046 0.000 1.280 862 N CA 0.000 53.071 53.050 0.036 0.000 0.885 862 N CB 0.000 38.500 38.487 0.022 0.000 1.341 863 S N 1.681 117.401 115.700 0.033 0.000 2.400 863 S HA 0.015 4.478 4.470 -0.013 0.000 0.232 863 S C 2.018 176.653 174.600 0.058 0.000 1.025 863 S CA 0.953 59.176 58.200 0.037 0.000 0.993 863 S CB -0.562 62.647 63.200 0.015 0.000 0.808 863 S HN 0.360 nan 8.310 nan 0.000 0.478 864 I N 2.463 123.065 120.570 0.053 0.000 2.133 864 I HA -0.172 3.991 4.170 -0.013 0.000 0.238 864 I C 2.501 178.753 176.117 0.225 0.000 1.074 864 I CA 1.274 62.626 61.300 0.088 0.000 1.342 864 I CB -0.622 37.400 38.000 0.037 0.000 1.053 864 I HN 0.274 nan 8.210 nan 0.000 0.404 865 N N 0.986 119.787 118.700 0.169 0.000 2.149 865 N HA -0.191 4.541 4.740 -0.013 0.000 0.188 865 N C 1.397 176.991 175.510 0.140 0.000 1.019 865 N CA 1.465 54.611 53.050 0.161 0.000 0.857 865 N CB -0.532 38.017 38.487 0.103 0.000 0.997 865 N HN 0.332 nan 8.380 nan 0.000 0.426 866 D N 0.088 120.561 120.400 0.121 0.000 2.182 866 D HA -0.084 4.548 4.640 -0.013 0.000 0.201 866 D C 1.611 177.993 176.300 0.136 0.000 0.986 866 D CA 0.942 55.010 54.000 0.114 0.000 0.847 866 D CB -0.292 40.561 40.800 0.087 0.000 0.942 866 D HN 0.336 nan 8.370 nan 0.000 0.467 867 S N -0.665 115.134 115.700 0.164 0.000 2.631 867 S HA 0.070 4.532 4.470 -0.013 0.000 0.217 867 S C 0.660 175.341 174.600 0.135 0.000 0.958 867 S CA -0.354 57.947 58.200 0.169 0.000 0.920 867 S CB -0.014 63.304 63.200 0.197 0.000 0.776 867 S HN -0.011 nan 8.310 nan 0.000 0.517 868 K N 1.975 122.411 120.400 0.060 0.000 2.349 868 K HA 0.274 4.586 4.320 -0.013 0.000 0.288 868 K C 0.678 177.205 176.600 -0.123 0.000 1.058 868 K CA -0.075 56.098 56.287 -0.190 0.000 0.953 868 K CB 0.698 33.069 32.500 -0.215 0.000 0.997 868 K HN 0.520 nan 8.250 nan 0.000 0.477 869 I N 0.448 120.874 120.570 -0.240 0.000 4.082 869 I HA 0.227 4.390 4.170 -0.013 0.000 0.337 869 I C -0.406 175.598 176.117 -0.188 0.000 1.352 869 I CA -0.304 60.757 61.300 -0.398 0.000 1.097 869 I CB 0.426 38.123 38.000 -0.506 0.000 1.048 869 I HN 0.229 nan 8.210 nan 0.000 0.393 870 L N 0.561 121.728 121.223 -0.095 0.000 2.588 870 L HA 0.615 4.948 4.340 -0.013 0.000 0.263 870 L C -1.393 175.487 176.870 0.017 0.000 0.935 870 L CA -0.232 54.631 54.840 0.037 0.000 0.891 870 L CB 2.210 44.352 42.059 0.139 0.000 1.318 870 L HN 0.031 nan 8.230 nan 0.000 0.409 871 S N 5.066 120.817 115.700 0.085 0.000 2.673 871 S HA 0.610 5.072 4.470 -0.013 0.000 0.256 871 S C -1.468 173.218 174.600 0.143 0.000 1.141 871 S CA -0.430 57.822 58.200 0.086 0.000 1.109 871 S CB 0.427 63.647 63.200 0.033 0.000 1.101 871 S HN 0.491 nan 8.310 nan 0.000 0.471 872 L N 4.949 126.304 121.223 0.220 0.000 2.325 872 L HA 0.499 4.831 4.340 -0.013 0.000 0.284 872 L C 0.407 177.381 176.870 0.174 0.000 1.089 872 L CA 0.929 55.882 54.840 0.189 0.000 0.836 872 L CB 0.474 42.665 42.059 0.221 0.000 1.184 872 L HN 0.686 nan 8.230 nan 0.000 0.444 873 Q N 2.161 122.031 119.800 0.117 0.000 2.421 873 Q HA 0.357 4.690 4.340 -0.013 0.000 0.280 873 Q C -0.788 175.259 176.000 0.080 0.000 1.085 873 Q CA -0.906 54.959 55.803 0.104 0.000 0.807 873 Q CB 2.470 31.256 28.738 0.081 0.000 1.405 873 Q HN 0.451 nan 8.270 nan 0.000 0.419 874 N N 0.725 119.473 118.700 0.080 0.000 2.408 874 N HA 0.084 4.816 4.740 -0.013 0.000 0.257 874 N C -0.073 175.464 175.510 0.046 0.000 1.064 874 N CA 0.105 53.193 53.050 0.063 0.000 0.952 874 N CB 0.626 39.158 38.487 0.075 0.000 1.093 874 N HN 0.318 nan 8.380 nan 0.000 0.490 875 K N 2.811 123.232 120.400 0.036 0.000 2.218 875 K HA 0.171 4.484 4.320 -0.013 0.000 0.214 875 K C 1.375 177.989 176.600 0.022 0.000 1.033 875 K CA 0.830 57.134 56.287 0.028 0.000 0.949 875 K CB -0.226 32.289 32.500 0.026 0.000 0.993 875 K HN 0.419 nan 8.250 nan 0.000 0.464 876 K N -0.107 120.305 120.400 0.019 0.000 2.027 876 K HA 0.033 4.346 4.320 -0.013 0.000 0.215 876 K C -0.025 176.587 176.600 0.019 0.000 1.027 876 K CA 1.546 57.843 56.287 0.016 0.000 0.967 876 K CB -0.002 32.506 32.500 0.013 0.000 0.867 876 K HN -0.001 nan 8.250 nan 0.000 0.449 877 N N -0.642 118.069 118.700 0.019 0.000 2.471 877 N HA 0.294 5.027 4.740 -0.013 0.000 0.270 877 N C -1.889 173.633 175.510 0.019 0.000 1.490 877 N CA -0.156 52.907 53.050 0.023 0.000 0.850 877 N CB 1.921 40.419 38.487 0.020 0.000 1.411 877 N HN 0.399 nan 8.380 nan 0.000 0.488 878 A N -0.008 122.822 122.820 0.017 0.000 2.435 878 A HA 0.580 4.892 4.320 -0.013 0.000 0.304 878 A C -1.142 176.447 177.584 0.009 0.000 1.064 878 A CA -0.538 51.503 52.037 0.007 0.000 0.727 878 A CB 1.190 20.191 19.000 0.001 0.000 1.284 878 A HN 0.196 nan 8.150 nan 0.000 0.415 879 L N 3.170 124.386 121.223 -0.012 0.000 2.278 879 L HA 0.533 4.866 4.340 -0.013 0.000 0.287 879 L C -0.420 176.437 176.870 -0.023 0.000 1.072 879 L CA -0.179 54.647 54.840 -0.022 0.000 0.819 879 L CB 0.778 42.775 42.059 -0.103 0.000 1.176 879 L HN 0.739 nan 8.230 nan 0.000 0.435 880 V N 0.882 120.801 119.914 0.009 0.000 3.160 880 V HA 0.521 4.634 4.120 -0.013 0.000 0.310 880 V C -0.848 175.273 176.094 0.045 0.000 1.181 880 V CA -1.108 61.203 62.300 0.019 0.000 1.047 880 V CB 2.141 33.977 31.823 0.022 0.000 1.068 880 V HN 0.616 nan 8.190 nan 0.000 0.441 881 D N 1.908 122.342 120.400 0.056 0.000 2.316 881 D HA 0.423 5.056 4.640 -0.013 0.000 0.245 881 D C 0.709 177.057 176.300 0.079 0.000 1.171 881 D CA 0.472 54.522 54.000 0.085 0.000 0.856 881 D CB 1.319 42.179 40.800 0.101 0.000 1.090 881 D HN 1.015 nan 8.370 nan 0.000 0.476 882 T N 0.154 114.757 114.554 0.081 0.000 3.256 882 T HA 0.187 4.530 4.350 -0.013 0.000 0.249 882 T C 1.024 175.773 174.700 0.082 0.000 0.975 882 T CA -0.195 61.946 62.100 0.068 0.000 1.011 882 T CB -0.312 68.589 68.868 0.056 0.000 1.127 882 T HN 0.186 nan 8.240 nan 0.000 0.543 883 S N -0.218 115.556 115.700 0.122 0.000 2.492 883 S HA 0.517 4.979 4.470 -0.013 0.000 0.218 883 S C 1.949 176.668 174.600 0.198 0.000 1.016 883 S CA 0.403 58.708 58.200 0.175 0.000 0.916 883 S CB -0.154 63.184 63.200 0.229 0.000 0.791 883 S HN 1.257 nan 8.310 nan 0.000 0.513 884 G N 0.364 109.233 108.800 0.116 0.000 2.238 884 G HA2 -0.247 3.705 3.960 -0.013 0.000 0.217 884 G HA3 -0.247 3.705 3.960 -0.013 0.000 0.217 884 G C 0.374 175.198 174.900 -0.126 0.000 0.996 884 G CA 0.127 45.203 45.100 -0.040 0.000 0.632 884 G HN 0.503 nan 8.290 nan 0.000 0.503 885 Y N 1.591 121.908 120.300 0.028 0.000 2.529 885 Y HA 0.265 4.807 4.550 -0.013 0.000 0.290 885 Y C 1.478 177.398 175.900 0.034 0.000 1.177 885 Y CA 0.135 58.255 58.100 0.033 0.000 1.305 885 Y CB 0.051 38.535 38.460 0.039 0.000 1.047 885 Y HN 0.292 nan 8.280 nan 0.000 0.522 886 N N -0.133 118.648 118.700 0.134 0.000 2.725 886 N HA -0.179 4.554 4.740 -0.013 0.000 0.251 886 N C 0.022 175.588 175.510 0.095 0.000 1.031 886 N CA 0.711 53.815 53.050 0.089 0.000 0.720 886 N CB -0.986 37.533 38.487 0.054 0.000 0.930 886 N HN 0.352 nan 8.380 nan 0.000 0.543 887 A N 0.256 123.144 122.820 0.112 0.000 2.425 887 A HA 0.188 4.501 4.320 -0.013 0.000 0.242 887 A C 0.710 178.331 177.584 0.063 0.000 1.077 887 A CA -0.070 52.023 52.037 0.093 0.000 0.781 887 A CB 0.597 19.662 19.000 0.108 0.000 1.020 887 A HN 0.320 nan 8.150 nan 0.000 0.494 888 E N 0.930 121.159 120.200 0.048 0.000 2.259 888 E HA 0.445 4.787 4.350 -0.013 0.000 0.281 888 E C -1.369 175.242 176.600 0.018 0.000 1.027 888 E CA -0.235 56.181 56.400 0.027 0.000 0.838 888 E CB 0.808 30.519 29.700 0.019 0.000 1.066 888 E HN 0.351 nan 8.360 nan 0.000 0.401 889 V N 6.139 126.054 119.914 0.002 0.000 2.376 889 V HA 0.357 4.470 4.120 -0.013 0.000 0.287 889 V C -0.287 175.781 176.094 -0.042 0.000 1.015 889 V CA -0.668 61.617 62.300 -0.025 0.000 0.834 889 V CB 1.418 33.217 31.823 -0.040 0.000 1.001 889 V HN 0.623 nan 8.190 nan 0.000 0.428 890 R N 3.487 123.958 120.500 -0.049 0.000 2.265 890 R HA 0.671 5.003 4.340 -0.013 0.000 0.328 890 R C -1.095 175.159 176.300 -0.077 0.000 0.969 890 R CA -0.531 55.538 56.100 -0.050 0.000 0.832 890 R CB 2.073 32.351 30.300 -0.035 0.000 1.139 890 R HN 0.522 nan 8.270 nan 0.000 0.457 891 V N 2.552 122.418 119.914 -0.081 0.000 2.394 891 V HA 0.351 4.463 4.120 -0.013 0.000 0.282 891 V C 0.998 177.052 176.094 -0.067 0.000 1.031 891 V CA -0.875 61.364 62.300 -0.101 0.000 0.881 891 V CB 1.603 33.359 31.823 -0.112 0.000 0.982 891 V HN 0.926 nan 8.190 nan 0.000 0.451 892 G N 2.350 111.111 108.800 -0.065 0.000 2.559 892 G HA2 0.052 4.004 3.960 -0.013 0.000 0.235 892 G HA3 0.052 4.004 3.960 -0.013 0.000 0.235 892 G C 0.567 175.446 174.900 -0.035 0.000 1.266 892 G CA -0.215 44.859 45.100 -0.044 0.000 0.847 892 G HN 0.829 nan 8.290 nan 0.000 0.583 893 D N 0.946 121.330 120.400 -0.025 0.000 2.218 893 D HA -0.120 4.513 4.640 -0.013 0.000 0.204 893 D C 1.562 177.853 176.300 -0.015 0.000 0.976 893 D CA 0.824 54.814 54.000 -0.018 0.000 0.853 893 D CB 0.290 41.082 40.800 -0.014 0.000 0.939 893 D HN 0.345 nan 8.370 nan 0.000 0.481 894 N N 0.500 119.189 118.700 -0.018 0.000 2.424 894 N HA -0.022 4.710 4.740 -0.013 0.000 0.178 894 N C 0.431 175.933 175.510 -0.013 0.000 1.060 894 N CA 0.061 53.102 53.050 -0.015 0.000 0.901 894 N CB 0.611 39.086 38.487 -0.020 0.000 0.979 894 N HN 0.001 nan 8.380 nan 0.000 0.451 895 V N 2.622 122.526 119.914 -0.016 0.000 2.540 895 V HA -0.061 4.051 4.120 -0.013 0.000 0.297 895 V C 0.621 176.728 176.094 0.022 0.000 1.024 895 V CA 0.296 62.593 62.300 -0.005 0.000 1.105 895 V CB 0.311 32.117 31.823 -0.028 0.000 0.938 895 V HN 0.166 nan 8.190 nan 0.000 0.482 896 Q N 4.991 124.818 119.800 0.046 0.000 2.274 896 Q HA 0.568 4.901 4.340 -0.013 0.000 0.256 896 Q C -0.835 175.249 176.000 0.140 0.000 0.927 896 Q CA -0.297 55.554 55.803 0.079 0.000 0.939 896 Q CB 1.523 30.311 28.738 0.083 0.000 1.201 896 Q HN 0.608 nan 8.270 nan 0.000 0.426 897 L N 1.773 123.073 121.223 0.127 0.000 2.330 897 L HA 0.377 4.710 4.340 -0.013 0.000 0.271 897 L C 0.515 177.474 176.870 0.149 0.000 1.013 897 L CA -0.776 54.161 54.840 0.162 0.000 0.816 897 L CB 1.257 43.383 42.059 0.112 0.000 1.287 897 L HN 0.851 nan 8.230 nan 0.000 0.435 898 N N 0.459 119.260 118.700 0.168 0.000 2.688 898 N HA -0.221 4.512 4.740 -0.013 0.000 0.258 898 N C 0.635 176.210 175.510 0.109 0.000 1.016 898 N CA 0.497 53.623 53.050 0.126 0.000 0.747 898 N CB 0.033 38.571 38.487 0.085 0.000 0.895 898 N HN 0.980 nan 8.380 nan 0.000 0.543 899 T N -2.776 111.869 114.554 0.153 0.000 3.023 899 T HA 0.215 4.558 4.350 -0.013 0.000 0.249 899 T C 1.569 176.304 174.700 0.059 0.000 1.050 899 T CA 0.633 62.808 62.100 0.127 0.000 1.088 899 T CB 0.267 69.260 68.868 0.209 0.000 0.946 899 T HN 0.384 nan 8.240 nan 0.000 0.480 900 I N -2.120 118.483 120.570 0.054 0.000 3.873 900 I HA 0.365 4.528 4.170 -0.013 0.000 0.284 900 I C -0.252 175.640 176.117 -0.375 0.000 1.186 900 I CA -0.349 60.878 61.300 -0.121 0.000 1.362 900 I CB 0.728 38.737 38.000 0.015 0.000 1.432 900 I HN 0.072 nan 8.210 nan 0.000 0.454 901 Y N 0.677 120.908 120.300 -0.115 0.000 2.485 901 Y HA 0.250 4.792 4.550 -0.012 0.000 0.345 901 Y C 1.523 177.365 175.900 -0.098 0.000 0.998 901 Y CA -0.510 57.463 58.100 -0.212 0.000 1.059 901 Y CB 1.678 39.871 38.460 -0.446 0.000 1.234 901 Y HN -0.177 nan 8.280 nan 0.000 0.461 902 T N 0.356 114.947 114.554 0.062 0.000 2.649 902 T HA -0.213 4.130 4.350 -0.013 0.000 0.268 902 T C 0.862 175.614 174.700 0.086 0.000 1.036 902 T CA 1.826 63.957 62.100 0.052 0.000 1.157 902 T CB -0.196 68.689 68.868 0.028 0.000 0.861 902 T HN 0.540 nan 8.240 nan 0.000 0.445 903 N N 2.272 121.023 118.700 0.085 0.000 2.378 903 N HA 0.126 4.858 4.740 -0.013 0.000 0.243 903 N C -0.555 175.062 175.510 0.179 0.000 1.137 903 N CA -0.048 53.078 53.050 0.128 0.000 0.862 903 N CB 0.099 38.651 38.487 0.109 0.000 1.116 903 N HN 0.668 nan 8.380 nan 0.000 0.499 904 D N 0.175 120.690 120.400 0.191 0.000 2.385 904 D HA 0.497 5.130 4.640 -0.013 0.000 0.254 904 D C -0.258 176.236 176.300 0.324 0.000 1.053 904 D CA -0.630 53.493 54.000 0.206 0.000 0.992 904 D CB 0.733 41.733 40.800 0.333 0.000 1.145 904 D HN 0.057 nan 8.370 nan 0.000 0.523 905 F N -2.846 117.251 119.950 0.245 0.000 2.619 905 F HA 0.522 5.042 4.527 -0.013 0.000 0.308 905 F C -0.739 175.141 175.800 0.133 0.000 1.097 905 F CA -1.232 56.848 58.000 0.134 0.000 0.953 905 F CB 1.723 40.721 39.000 -0.003 0.000 1.287 905 F HN 0.277 nan 8.300 nan 0.000 0.446 906 K N 2.832 123.358 120.400 0.210 0.000 2.244 906 K HA 0.525 4.837 4.320 -0.013 0.000 0.260 906 K C -1.702 174.835 176.600 -0.104 0.000 0.951 906 K CA -0.717 55.487 56.287 -0.139 0.000 0.826 906 K CB 1.391 33.710 32.500 -0.301 0.000 1.108 906 K HN 0.702 nan 8.250 nan 0.000 0.433 907 L N 4.541 125.652 121.223 -0.187 0.000 2.297 907 L HA 0.209 4.541 4.340 -0.013 0.000 0.277 907 L C 0.845 177.574 176.870 -0.235 0.000 1.040 907 L CA 0.234 55.005 54.840 -0.116 0.000 0.867 907 L CB 0.207 42.252 42.059 -0.022 0.000 1.244 907 L HN 0.893 nan 8.230 nan 0.000 0.433 908 S N -0.346 115.230 115.700 -0.206 0.000 3.330 908 S HA 0.142 4.604 4.470 -0.013 0.000 0.259 908 S C 0.756 175.276 174.600 -0.133 0.000 1.095 908 S CA -0.184 57.886 58.200 -0.217 0.000 0.841 908 S CB 0.191 63.224 63.200 -0.278 0.000 0.890 908 S HN 0.350 nan 8.310 nan 0.000 0.446 909 S N 3.618 119.257 115.700 -0.102 0.000 2.553 909 S HA 0.282 4.744 4.470 -0.013 0.000 0.271 909 S C 0.415 174.982 174.600 -0.055 0.000 1.362 909 S CA 0.301 58.462 58.200 -0.066 0.000 1.010 909 S CB 0.059 63.230 63.200 -0.048 0.000 0.865 909 S HN 0.922 nan 8.310 nan 0.000 0.543 910 S N 0.933 116.608 115.700 -0.040 0.000 2.629 910 S HA 0.308 4.771 4.470 -0.013 0.000 0.302 910 S C 1.190 175.773 174.600 -0.028 0.000 1.244 910 S CA -0.309 57.872 58.200 -0.031 0.000 1.098 910 S CB -0.726 62.460 63.200 -0.023 0.000 0.858 910 S HN 1.611 nan 8.310 nan 0.000 0.502 911 G N 3.121 111.906 108.800 -0.026 0.000 2.451 911 G HA2 -0.254 3.698 3.960 -0.013 0.000 0.296 911 G HA3 -0.254 3.698 3.960 -0.013 0.000 0.296 911 G C -0.201 174.685 174.900 -0.023 0.000 0.922 911 G CA 0.310 45.397 45.100 -0.021 0.000 1.074 911 G HN 1.150 nan 8.290 nan 0.000 0.509 912 D N -0.447 119.936 120.400 -0.028 0.000 2.302 912 D HA 0.603 5.236 4.640 -0.013 0.000 0.248 912 D C 0.479 176.767 176.300 -0.020 0.000 1.094 912 D CA -0.372 53.611 54.000 -0.028 0.000 0.897 912 D CB 1.210 41.991 40.800 -0.033 0.000 1.200 912 D HN 0.727 nan 8.370 nan 0.000 0.429 913 K N 0.044 120.428 120.400 -0.026 0.000 2.533 913 K HA 0.687 5.000 4.320 -0.013 0.000 0.284 913 K C -1.221 175.348 176.600 -0.051 0.000 1.025 913 K CA -1.063 55.214 56.287 -0.017 0.000 0.900 913 K CB 1.266 33.761 32.500 -0.008 0.000 1.519 913 K HN 0.401 nan 8.250 nan 0.000 0.432 914 I N 1.556 122.102 120.570 -0.040 0.000 2.498 914 I HA 0.410 4.572 4.170 -0.013 0.000 0.290 914 I C -0.813 175.310 176.117 0.011 0.000 1.032 914 I CA -0.993 60.246 61.300 -0.102 0.000 1.073 914 I CB 1.910 39.694 38.000 -0.360 0.000 1.251 914 I HN 0.452 nan 8.210 nan 0.000 0.426 915 I N 6.427 126.983 120.570 -0.023 0.000 2.378 915 I HA 0.400 4.562 4.170 -0.013 0.000 0.291 915 I C -0.702 175.417 176.117 0.004 0.000 0.992 915 I CA -0.869 60.427 61.300 -0.006 0.000 1.154 915 I CB 2.032 40.015 38.000 -0.028 0.000 1.315 915 I HN 0.167 nan 8.210 nan 0.000 0.448 916 V N 6.248 126.183 119.914 0.035 0.000 2.357 916 V HA 0.343 4.455 4.120 -0.013 0.000 0.284 916 V C -0.234 175.881 176.094 0.034 0.000 1.018 916 V CA -0.744 61.587 62.300 0.052 0.000 0.841 916 V CB 1.459 33.360 31.823 0.130 0.000 0.991 916 V HN 0.627 nan 8.190 nan 0.000 0.437 917 N N 5.511 124.228 118.700 0.029 0.000 2.469 917 N HA 0.460 5.192 4.740 -0.013 0.000 0.253 917 N C -0.514 175.024 175.510 0.047 0.000 0.970 917 N CA -0.371 52.694 53.050 0.024 0.000 0.940 917 N CB 2.115 40.610 38.487 0.012 0.000 1.128 917 N HN 0.539 nan 8.380 nan 0.000 0.503 918 L N 1.777 123.034 121.223 0.057 0.000 2.456 918 L HA 0.108 4.440 4.340 -0.013 0.000 0.272 918 L C 1.300 178.211 176.870 0.068 0.000 1.189 918 L CA -0.058 54.827 54.840 0.075 0.000 0.846 918 L CB 0.284 42.392 42.059 0.081 0.000 1.111 918 L HN 0.471 nan 8.230 nan 0.000 0.475 919 N N 1.671 120.423 118.700 0.086 0.000 2.275 919 N HA 0.061 4.793 4.740 -0.013 0.000 0.236 919 N C -0.626 174.946 175.510 0.104 0.000 1.154 919 N CA -0.343 52.758 53.050 0.085 0.000 0.866 919 N CB 0.277 38.814 38.487 0.084 0.000 1.093 919 N HN 0.728 nan 8.380 nan 0.000 0.515 920 N N -1.234 117.527 118.700 0.101 0.000 3.102 920 N HA 0.309 5.041 4.740 -0.013 0.000 0.299 920 N C -1.208 174.346 175.510 0.074 0.000 1.482 920 N CA -0.545 52.571 53.050 0.110 0.000 0.785 920 N CB 0.515 39.089 38.487 0.143 0.000 1.680 920 N HN -0.084 nan 8.380 nan 0.000 0.594 921 N N -0.569 118.173 118.700 0.071 0.000 2.545 921 N HA 0.271 5.003 4.740 -0.013 0.000 0.283 921 N C 0.166 175.708 175.510 0.055 0.000 1.596 921 N CA -0.267 52.818 53.050 0.059 0.000 0.862 921 N CB 0.858 39.379 38.487 0.056 0.000 1.422 921 N HN 0.534 nan 8.380 nan 0.000 0.489 922 I N -0.509 120.084 120.570 0.039 0.000 2.500 922 I HA 0.089 4.251 4.170 -0.013 0.000 0.252 922 I C -0.059 176.081 176.117 0.038 0.000 1.142 922 I CA 0.891 62.210 61.300 0.031 0.000 1.451 922 I CB 0.376 38.366 38.000 -0.017 0.000 1.093 922 I HN 0.087 nan 8.210 nan 0.000 0.430 928 Y N 3.552 123.890 120.300 0.064 0.000 2.810 928 Y HA 0.287 4.830 4.550 -0.013 0.000 0.244 928 Y C 0.355 176.288 175.900 0.055 0.000 1.092 928 Y CA -0.337 57.794 58.100 0.052 0.000 1.130 928 Y CB 1.235 39.719 38.460 0.040 0.000 1.219 928 Y HN 0.529 nan 8.280 nan 0.000 0.616 929 E N 0.222 120.534 120.200 0.187 0.000 2.316 929 E HA 0.293 4.635 4.350 -0.013 0.000 0.258 929 E C -1.125 175.525 176.600 0.084 0.000 0.952 929 E CA -1.267 55.200 56.400 0.112 0.000 0.818 929 E CB 1.203 30.971 29.700 0.113 0.000 1.260 929 E HN 0.110 nan 8.360 nan 0.000 0.416 930 N N 0.699 119.434 118.700 0.059 0.000 2.422 930 N HA 0.319 5.051 4.740 -0.013 0.000 0.266 930 N C -1.411 174.129 175.510 0.051 0.000 1.007 930 N CA -0.154 52.922 53.050 0.043 0.000 0.941 930 N CB 1.245 39.747 38.487 0.025 0.000 1.115 930 N HN 0.469 nan 8.380 nan 0.000 0.492 931 S N 0.181 115.908 115.700 0.044 0.000 2.578 931 S HA 0.760 5.223 4.470 -0.013 0.000 0.272 931 S C -1.269 173.339 174.600 0.013 0.000 1.145 931 S CA -0.815 57.417 58.200 0.054 0.000 0.835 931 S CB 1.158 64.402 63.200 0.074 0.000 1.104 931 S HN 0.214 nan 8.310 nan 0.000 0.458 932 S N 0.171 115.898 115.700 0.044 0.000 2.564 932 S HA 0.811 5.274 4.470 -0.013 0.000 0.274 932 S C -1.425 173.204 174.600 0.049 0.000 1.124 932 S CA -0.717 57.467 58.200 -0.027 0.000 0.869 932 S CB 1.790 64.913 63.200 -0.129 0.000 1.105 932 S HN 0.960 nan 8.310 nan 0.000 0.472 933 V N 2.432 122.262 119.914 -0.141 0.000 2.638 933 V HA 0.826 4.939 4.120 -0.013 0.000 0.306 933 V C -0.450 175.508 176.094 -0.227 0.000 1.052 933 V CA -0.562 61.624 62.300 -0.189 0.000 0.885 933 V CB 1.726 33.347 31.823 -0.336 0.000 0.999 933 V HN 1.014 nan 8.190 nan 0.000 0.424 934 S N 4.363 119.991 115.700 -0.121 0.000 2.569 934 S HA 1.013 5.475 4.470 -0.013 0.000 0.280 934 S C -1.010 173.621 174.600 0.052 0.000 1.111 934 S CA -0.673 57.399 58.200 -0.213 0.000 0.887 934 S CB 2.603 65.790 63.200 -0.023 0.000 1.095 934 S HN 1.425 nan 8.310 nan 0.000 0.476 935 F N -2.835 117.085 119.950 -0.050 0.000 2.829 935 F HA 0.739 5.258 4.527 -0.013 0.000 0.319 935 F C -2.545 173.394 175.800 0.230 0.000 1.153 935 F CA -1.639 56.515 58.000 0.257 0.000 0.912 935 F CB 0.068 39.308 39.000 0.401 0.000 1.292 935 F HN 0.661 nan 8.300 nan 0.000 0.447 936 W N 2.569 124.132 121.300 0.439 0.000 2.578 936 W HA 0.832 5.485 4.660 -0.012 0.000 0.346 936 W C -0.784 176.007 176.519 0.454 0.000 1.075 936 W CA -0.941 56.605 57.345 0.336 0.000 1.233 936 W CB 1.819 31.436 29.460 0.262 0.000 1.358 936 W HN 0.731 nan 8.180 nan 0.000 0.574 937 I N 1.892 122.680 120.570 0.362 0.000 2.894 937 I HA 0.452 4.615 4.170 -0.013 0.000 0.302 937 I C -1.399 174.602 176.117 -0.193 0.000 1.188 937 I CA -1.222 60.142 61.300 0.107 0.000 1.014 937 I CB 2.170 40.193 38.000 0.038 0.000 1.242 937 I HN 0.405 nan 8.210 nan 0.000 0.430 938 K N 7.648 127.879 120.400 -0.282 0.000 2.601 938 K HA 0.564 4.877 4.320 -0.013 0.000 0.249 938 K C -2.003 174.601 176.600 0.007 0.000 0.966 938 K CA -0.500 55.597 56.287 -0.316 0.000 0.827 938 K CB 1.402 33.241 32.500 -1.102 0.000 1.178 938 K HN 0.550 nan 8.250 nan 0.000 0.437 939 I N 3.829 124.454 120.570 0.092 0.000 2.362 939 I HA 0.167 4.330 4.170 -0.013 0.000 0.289 939 I C 0.478 176.724 176.117 0.216 0.000 0.994 939 I CA -0.800 60.577 61.300 0.129 0.000 1.158 939 I CB 1.835 39.873 38.000 0.063 0.000 1.315 939 I HN 0.687 nan 8.210 nan 0.000 0.451 940 S N 5.250 121.056 115.700 0.175 0.000 2.569 940 S HA 0.021 4.483 4.470 -0.013 0.000 0.274 940 S C 1.140 175.810 174.600 0.117 0.000 1.353 940 S CA -0.220 58.074 58.200 0.156 0.000 1.023 940 S CB 1.117 64.354 63.200 0.062 0.000 0.876 940 S HN 0.819 nan 8.310 nan 0.000 0.540 941 K N 0.889 121.320 120.400 0.051 0.000 2.026 941 K HA -0.175 4.137 4.320 -0.013 0.000 0.208 941 K C 1.237 177.772 176.600 -0.108 0.000 1.048 941 K CA 2.048 58.286 56.287 -0.083 0.000 0.929 941 K CB -0.553 31.634 32.500 -0.521 0.000 0.713 941 K HN 0.737 nan 8.250 nan 0.000 0.439 942 D N 0.457 120.783 120.400 -0.124 0.000 2.218 942 D HA -0.142 4.490 4.640 -0.013 0.000 0.204 942 D C 1.580 177.840 176.300 -0.066 0.000 0.976 942 D CA 0.602 54.540 54.000 -0.104 0.000 0.853 942 D CB 0.091 40.831 40.800 -0.100 0.000 0.939 942 D HN 0.126 nan 8.370 nan 0.000 0.481 943 L N -0.326 120.863 121.223 -0.055 0.000 2.162 943 L HA 0.025 4.357 4.340 -0.013 0.000 0.205 943 L C 2.150 179.055 176.870 0.059 0.000 1.086 943 L CA 1.426 56.224 54.840 -0.070 0.000 0.778 943 L CB -0.785 41.193 42.059 -0.135 0.000 0.928 943 L HN -0.016 nan 8.230 nan 0.000 0.446 944 T N -1.223 113.400 114.554 0.115 0.000 2.942 944 T HA -0.126 4.217 4.350 -0.013 0.000 0.265 944 T C 1.105 175.829 174.700 0.040 0.000 1.062 944 T CA 0.825 63.036 62.100 0.184 0.000 1.139 944 T CB -0.375 68.667 68.868 0.291 0.000 0.883 944 T HN 0.331 nan 8.240 nan 0.000 0.468 945 N N 1.615 120.303 118.700 -0.021 0.000 3.331 945 N HA 0.290 5.022 4.740 -0.013 0.000 0.303 945 N C -1.248 174.180 175.510 -0.137 0.000 1.326 945 N CA -0.235 52.754 53.050 -0.102 0.000 1.207 945 N CB 0.030 38.450 38.487 -0.110 0.000 1.477 945 N HN 0.219 nan 8.380 nan 0.000 0.541 946 S N -0.328 115.291 115.700 -0.136 0.000 2.564 946 S HA 0.293 4.756 4.470 -0.013 0.000 0.274 946 S C -0.088 174.399 174.600 -0.188 0.000 1.124 946 S CA -0.657 57.482 58.200 -0.102 0.000 0.869 946 S CB 0.648 63.943 63.200 0.158 0.000 1.105 946 S HN 0.441 nan 8.310 nan 0.000 0.472 947 H N 1.981 121.082 119.070 0.052 0.000 2.551 947 H HA 0.306 4.854 4.556 -0.012 0.000 0.271 947 H C 0.038 175.342 175.328 -0.040 0.000 0.984 947 H CA -0.044 56.010 56.048 0.010 0.000 1.164 947 H CB 0.113 29.873 29.762 -0.002 0.000 1.437 947 H HN 0.447 nan 8.280 nan 0.000 0.550 948 N N 1.753 120.444 118.700 -0.014 0.000 2.513 948 N HA 0.002 4.734 4.740 -0.013 0.000 0.274 948 N C 0.351 175.606 175.510 -0.425 0.000 1.189 948 N CA -0.021 52.872 53.050 -0.262 0.000 0.975 948 N CB 1.700 39.912 38.487 -0.459 0.000 1.157 948 N HN 0.369 nan 8.380 nan 0.000 0.465 949 E N 1.220 121.176 120.200 -0.405 0.000 2.197 949 E HA 0.199 4.542 4.350 -0.013 0.000 0.281 949 E C -1.300 175.048 176.600 -0.420 0.000 0.995 949 E CA -0.413 55.826 56.400 -0.267 0.000 0.808 949 E CB 0.484 30.111 29.700 -0.122 0.000 1.093 949 E HN 0.382 nan 8.360 nan 0.000 0.394 950 Y N 1.896 122.219 120.300 0.038 0.000 2.350 950 Y HA 0.245 4.788 4.550 -0.012 0.000 0.338 950 Y C 0.046 175.959 175.900 0.023 0.000 0.961 950 Y CA -0.853 57.263 58.100 0.026 0.000 1.100 950 Y CB 2.267 40.747 38.460 0.034 0.000 1.179 950 Y HN 0.329 nan 8.280 nan 0.000 0.454 951 T N 5.024 119.658 114.554 0.133 0.000 2.780 951 T HA 0.279 4.621 4.350 -0.013 0.000 0.294 951 T C 1.287 176.027 174.700 0.066 0.000 0.949 951 T CA -0.281 61.854 62.100 0.058 0.000 1.074 951 T CB 0.289 69.148 68.868 -0.015 0.000 0.910 951 T HN 0.753 nan 8.240 nan 0.000 0.501 952 I N 0.611 121.217 120.570 0.059 0.000 4.032 952 I HA 0.499 4.662 4.170 -0.013 0.000 0.313 952 I C -0.078 176.028 176.117 -0.018 0.000 1.272 952 I CA 0.113 61.444 61.300 0.052 0.000 1.307 952 I CB 0.526 38.583 38.000 0.094 0.000 1.155 952 I HN 0.358 nan 8.210 nan 0.000 0.431 953 I N 1.977 122.498 120.570 -0.082 0.000 2.534 953 I HA 0.405 4.567 4.170 -0.013 0.000 0.288 953 I C -1.391 174.549 176.117 -0.295 0.000 1.077 953 I CA -0.544 60.587 61.300 -0.281 0.000 1.051 953 I CB 1.974 39.845 38.000 -0.214 0.000 1.234 953 I HN 0.110 nan 8.210 nan 0.000 0.425 954 N N 2.663 121.089 118.700 -0.457 0.000 2.260 954 N HA 0.423 5.155 4.740 -0.013 0.000 0.293 954 N C -0.542 174.549 175.510 -0.698 0.000 1.058 954 N CA -0.344 52.406 53.050 -0.500 0.000 0.824 954 N CB 2.258 40.557 38.487 -0.314 0.000 1.551 954 N HN 0.424 nan 8.380 nan 0.000 0.475 955 S N 1.723 116.886 115.700 -0.895 0.000 2.549 955 S HA 0.293 4.755 4.470 -0.013 0.000 0.225 955 S C 0.260 174.552 174.600 -0.514 0.000 1.039 955 S CA -0.350 57.322 58.200 -0.879 0.000 0.942 955 S CB 0.185 62.456 63.200 -1.550 0.000 0.881 955 S HN 0.560 nan 8.310 nan 0.000 0.503 956 I N 3.526 123.844 120.570 -0.420 0.000 2.792 956 I HA 0.053 4.216 4.170 -0.013 0.000 0.284 956 I C 1.390 177.389 176.117 -0.197 0.000 1.166 956 I CA 0.584 61.732 61.300 -0.254 0.000 1.375 956 I CB -0.017 37.863 38.000 -0.200 0.000 1.421 956 I HN 0.225 nan 8.210 nan 0.000 0.544 957 E N 6.353 126.459 120.200 -0.156 0.000 2.038 957 E HA -0.103 4.239 4.350 -0.013 0.000 0.190 957 E C 1.617 178.164 176.600 -0.088 0.000 0.967 957 E CA 1.081 57.410 56.400 -0.118 0.000 0.816 957 E CB 0.237 29.878 29.700 -0.098 0.000 0.784 957 E HN 0.660 nan 8.360 nan 0.000 0.456 958 Q N -0.294 119.462 119.800 -0.073 0.000 2.178 958 Q HA 0.186 4.518 4.340 -0.013 0.000 0.197 958 Q C 0.841 176.809 176.000 -0.052 0.000 0.998 958 Q CA 1.103 56.874 55.803 -0.053 0.000 0.845 958 Q CB -0.348 28.366 28.738 -0.039 0.000 0.943 958 Q HN 0.145 nan 8.270 nan 0.000 0.514 959 N N -0.444 118.229 118.700 -0.044 0.000 2.129 959 N HA 0.079 4.811 4.740 -0.013 0.000 0.222 959 N C -0.764 174.727 175.510 -0.031 0.000 1.303 959 N CA 0.480 53.509 53.050 -0.035 0.000 0.897 959 N CB 1.395 39.871 38.487 -0.018 0.000 1.093 959 N HN 0.388 nan 8.380 nan 0.000 0.501 960 S N -0.663 115.015 115.700 -0.036 0.000 2.593 960 S HA 0.932 5.394 4.470 -0.013 0.000 0.297 960 S C 0.491 175.060 174.600 -0.052 0.000 1.112 960 S CA -0.027 58.159 58.200 -0.023 0.000 1.043 960 S CB 2.388 65.585 63.200 -0.005 0.000 1.054 960 S HN 0.324 nan 8.310 nan 0.000 0.516 961 G N 0.837 109.623 108.800 -0.024 0.000 2.260 961 G HA2 0.189 4.141 3.960 -0.013 0.000 0.250 961 G HA3 0.189 4.141 3.960 -0.013 0.000 0.250 961 G C -1.379 173.520 174.900 -0.003 0.000 1.340 961 G CA -0.391 44.674 45.100 -0.058 0.000 1.056 961 G HN 1.413 nan 8.290 nan 0.000 0.471 962 W N 0.431 121.628 121.300 -0.171 0.000 3.032 962 W HA 0.849 5.501 4.660 -0.013 0.000 0.341 962 W C -0.698 175.545 176.519 -0.460 0.000 1.202 962 W CA -0.685 56.441 57.345 -0.365 0.000 1.132 962 W CB 1.564 30.750 29.460 -0.456 0.000 1.465 962 W HN 1.158 nan 8.180 nan 0.000 0.576 963 K N 0.584 120.862 120.400 -0.204 0.000 2.587 963 K HA 0.674 4.987 4.320 -0.013 0.000 0.276 963 K C -2.552 173.927 176.600 -0.201 0.000 0.956 963 K CA -0.948 55.219 56.287 -0.201 0.000 0.857 963 K CB 2.215 34.579 32.500 -0.226 0.000 1.431 963 K HN 0.428 nan 8.250 nan 0.000 0.420 964 L N 1.695 122.912 121.223 -0.010 0.000 2.313 964 L HA 0.611 4.944 4.340 -0.013 0.000 0.283 964 L C -1.526 175.420 176.870 0.126 0.000 1.013 964 L CA 0.025 54.960 54.840 0.158 0.000 0.816 964 L CB 1.455 43.719 42.059 0.343 0.000 1.236 964 L HN 0.920 nan 8.230 nan 0.000 0.419 965 C N 5.135 124.528 119.300 0.155 0.000 2.707 965 C HA 0.688 5.140 4.460 -0.013 0.000 0.313 965 C C -0.472 174.650 174.990 0.220 0.000 1.209 965 C CA -1.015 58.089 59.018 0.144 0.000 1.635 965 C CB 1.545 29.326 27.740 0.069 0.000 2.206 965 C HN 0.579 nan 8.230 nan 0.000 0.485 966 I N 2.684 123.400 120.570 0.243 0.000 2.530 966 I HA 0.676 4.838 4.170 -0.013 0.000 0.297 966 I C -0.175 176.110 176.117 0.280 0.000 1.011 966 I CA -0.381 61.107 61.300 0.312 0.000 1.107 966 I CB 1.754 39.954 38.000 0.333 0.000 1.285 966 I HN 0.881 nan 8.210 nan 0.000 0.436 967 R N 4.154 124.808 120.500 0.257 0.000 2.792 967 R HA 0.244 4.577 4.340 -0.013 0.000 0.285 967 R C -0.434 175.939 176.300 0.121 0.000 1.207 967 R CA -0.616 55.582 56.100 0.164 0.000 1.091 967 R CB 0.132 30.489 30.300 0.095 0.000 1.263 967 R HN 0.780 nan 8.270 nan 0.000 0.403 968 N N 1.393 120.149 118.700 0.093 0.000 2.727 968 N HA -0.244 4.488 4.740 -0.013 0.000 0.249 968 N C 0.672 176.146 175.510 -0.059 0.000 1.048 968 N CA 1.137 54.199 53.050 0.020 0.000 0.714 968 N CB -0.615 37.915 38.487 0.071 0.000 0.959 968 N HN 1.273 nan 8.380 nan 0.000 0.544 969 G N -1.178 107.566 108.800 -0.093 0.000 2.143 969 G HA2 -0.295 3.657 3.960 -0.013 0.000 0.249 969 G HA3 -0.295 3.657 3.960 -0.013 0.000 0.249 969 G C -0.271 174.277 174.900 -0.587 0.000 0.981 969 G CA 0.485 45.296 45.100 -0.481 0.000 0.665 969 G HN 0.616 nan 8.290 nan 0.000 0.528 970 N N -0.567 118.096 118.700 -0.061 0.000 2.272 970 N HA 0.753 5.485 4.740 -0.013 0.000 0.305 970 N C -0.626 175.131 175.510 0.411 0.000 1.103 970 N CA -0.555 52.557 53.050 0.103 0.000 0.791 970 N CB 2.158 40.679 38.487 0.056 0.000 1.356 970 N HN 0.313 nan 8.380 nan 0.000 0.486 971 I N 0.245 121.109 120.570 0.490 0.000 2.474 971 I HA 0.411 4.573 4.170 -0.013 0.000 0.294 971 I C -0.941 175.412 176.117 0.394 0.000 1.005 971 I CA -0.511 61.082 61.300 0.489 0.000 1.113 971 I CB 1.233 39.588 38.000 0.591 0.000 1.289 971 I HN 0.522 nan 8.210 nan 0.000 0.436 972 E N 7.574 127.979 120.200 0.342 0.000 2.275 972 E HA 0.178 4.520 4.350 -0.013 0.000 0.270 972 E C -2.070 174.736 176.600 0.343 0.000 0.882 972 E CA -0.816 55.767 56.400 0.303 0.000 0.758 972 E CB 1.633 31.450 29.700 0.196 0.000 1.195 972 E HN 0.655 nan 8.360 nan 0.000 0.419 973 W N 7.779 129.175 121.300 0.160 0.000 2.349 973 W HA 0.491 5.143 4.660 -0.013 0.000 0.309 973 W C -1.555 175.040 176.519 0.126 0.000 1.083 973 W CA -0.601 56.836 57.345 0.152 0.000 1.224 973 W CB 0.685 30.220 29.460 0.124 0.000 1.256 973 W HN 0.495 nan 8.180 nan 0.000 0.461 974 I N 7.321 127.746 120.570 -0.242 0.000 2.474 974 I HA 0.299 4.462 4.170 -0.013 0.000 0.294 974 I C -0.922 175.092 176.117 -0.171 0.000 1.005 974 I CA -1.165 60.045 61.300 -0.149 0.000 1.113 974 I CB 2.085 39.952 38.000 -0.222 0.000 1.289 974 I HN 0.176 nan 8.210 nan 0.000 0.436 975 L N 7.256 128.509 121.223 0.049 0.000 2.372 975 L HA 0.422 4.754 4.340 -0.013 0.000 0.273 975 L C -0.672 176.281 176.870 0.138 0.000 0.989 975 L CA 0.040 54.953 54.840 0.122 0.000 0.841 975 L CB 1.323 43.512 42.059 0.217 0.000 1.225 975 L HN 0.681 nan 8.230 nan 0.000 0.414 976 Q N 1.911 121.770 119.800 0.099 0.000 2.394 976 Q HA 0.644 4.976 4.340 -0.013 0.000 0.273 976 Q C -1.293 174.746 176.000 0.065 0.000 1.089 976 Q CA -0.957 54.914 55.803 0.114 0.000 0.812 976 Q CB 2.420 31.236 28.738 0.130 0.000 1.353 976 Q HN 0.636 nan 8.270 nan 0.000 0.438 977 D N 0.545 120.977 120.400 0.054 0.000 2.478 977 D HA 0.138 4.771 4.640 -0.013 0.000 0.274 977 D C 1.302 177.612 176.300 0.016 0.000 1.234 977 D CA -0.177 53.838 54.000 0.025 0.000 1.069 977 D CB 0.319 41.124 40.800 0.009 0.000 1.113 977 D HN 0.403 nan 8.370 nan 0.000 0.571 978 V N -2.276 117.640 119.914 0.004 0.000 2.626 978 V HA -0.117 3.995 4.120 -0.013 0.000 0.252 978 V C 0.998 177.093 176.094 0.001 0.000 1.067 978 V CA 1.202 63.501 62.300 -0.001 0.000 1.081 978 V CB -0.968 30.852 31.823 -0.005 0.000 0.686 978 V HN 0.437 nan 8.190 nan 0.000 0.468 979 N N 0.889 119.591 118.700 0.002 0.000 2.413 979 N HA 0.119 4.852 4.740 -0.013 0.000 0.207 979 N C 0.728 176.244 175.510 0.011 0.000 1.206 979 N CA 0.464 53.514 53.050 0.001 0.000 0.832 979 N CB -0.079 38.404 38.487 -0.008 0.000 1.037 979 N HN 0.612 nan 8.380 nan 0.000 0.467 980 R N -0.794 119.723 120.500 0.027 0.000 3.977 980 R HA -0.198 4.134 4.340 -0.013 0.000 0.428 980 R C 0.230 176.587 176.300 0.096 0.000 1.079 980 R CA 1.046 57.181 56.100 0.059 0.000 1.269 980 R CB -1.399 28.929 30.300 0.046 0.000 1.856 980 R HN 0.263 nan 8.270 nan 0.000 0.551 981 K N 1.170 121.597 120.400 0.045 0.000 2.298 981 K HA 0.222 4.535 4.320 -0.013 0.000 0.280 981 K C -0.427 176.218 176.600 0.075 0.000 1.032 981 K CA -0.191 56.092 56.287 -0.006 0.000 0.958 981 K CB 0.427 32.906 32.500 -0.036 0.000 0.978 981 K HN 0.132 nan 8.250 nan 0.000 0.472 982 Y N 0.485 120.785 120.300 0.001 0.000 2.644 982 Y HA 0.677 5.219 4.550 -0.013 0.000 0.338 982 Y C -1.475 174.439 175.900 0.023 0.000 1.119 982 Y CA -1.432 56.675 58.100 0.012 0.000 1.060 982 Y CB 1.225 39.691 38.460 0.010 0.000 1.294 982 Y HN 0.347 nan 8.280 nan 0.000 0.472 983 K N 0.796 121.401 120.400 0.342 0.000 2.443 983 K HA 0.829 5.141 4.320 -0.013 0.000 0.251 983 K C -1.331 175.471 176.600 0.337 0.000 0.972 983 K CA -0.323 56.112 56.287 0.248 0.000 0.833 983 K CB 2.318 34.897 32.500 0.133 0.000 1.317 983 K HN 1.043 nan 8.250 nan 0.000 0.441 984 S N 0.991 116.860 115.700 0.282 0.000 2.656 984 S HA 0.723 5.186 4.470 -0.013 0.000 0.273 984 S C -1.562 173.177 174.600 0.232 0.000 1.168 984 S CA -1.003 57.359 58.200 0.269 0.000 0.817 984 S CB 0.822 64.172 63.200 0.250 0.000 1.146 984 S HN 0.305 nan 8.310 nan 0.000 0.475 985 L N 1.472 122.850 121.223 0.259 0.000 2.409 985 L HA 0.683 5.015 4.340 -0.013 0.000 0.272 985 L C -1.019 175.992 176.870 0.234 0.000 0.980 985 L CA -0.647 54.319 54.840 0.209 0.000 0.826 985 L CB 1.808 43.974 42.059 0.179 0.000 1.268 985 L HN 0.796 nan 8.230 nan 0.000 0.407 986 I N 2.339 123.030 120.570 0.203 0.000 2.689 986 I HA 0.595 4.757 4.170 -0.013 0.000 0.299 986 I C -1.831 174.456 176.117 0.283 0.000 1.059 986 I CA -0.640 60.797 61.300 0.229 0.000 1.055 986 I CB 2.577 40.677 38.000 0.166 0.000 1.243 986 I HN 0.527 nan 8.210 nan 0.000 0.425 987 F N 6.359 126.387 119.950 0.130 0.000 2.574 987 F HA 0.372 4.891 4.527 -0.013 0.000 0.313 987 F C -1.069 174.796 175.800 0.109 0.000 1.130 987 F CA -0.858 57.198 58.000 0.094 0.000 0.936 987 F CB 1.395 40.456 39.000 0.101 0.000 1.219 987 F HN 0.378 nan 8.300 nan 0.000 0.445 988 D N 5.054 124.986 120.400 -0.780 0.000 2.468 988 D HA 0.083 4.715 4.640 -0.013 0.000 0.218 988 D C 0.582 176.145 176.300 -1.228 0.000 1.155 988 D CA -0.156 53.402 54.000 -0.737 0.000 0.924 988 D CB 0.042 40.556 40.800 -0.477 0.000 1.029 988 D HN 0.537 nan 8.370 nan 0.000 0.515 989 Y N 1.573 121.335 120.300 -0.897 0.000 2.337 989 Y HA 0.131 4.674 4.550 -0.013 0.000 0.293 989 Y C 1.044 176.712 175.900 -0.386 0.000 1.123 989 Y CA -0.095 57.586 58.100 -0.698 0.000 1.201 989 Y CB -0.154 38.167 38.460 -0.232 0.000 1.011 989 Y HN 0.233 nan 8.280 nan 0.000 0.545 990 S N 1.873 117.036 115.700 -0.894 0.000 2.512 990 S HA 0.215 4.677 4.470 -0.013 0.000 0.291 990 S C 0.681 175.059 174.600 -0.370 0.000 1.151 990 S CA -0.791 57.110 58.200 -0.499 0.000 1.120 990 S CB 0.178 63.049 63.200 -0.549 0.000 1.029 990 S HN 0.365 nan 8.310 nan 0.000 0.485 991 E N 3.403 123.441 120.200 -0.270 0.000 2.045 991 E HA -0.116 4.227 4.350 -0.013 0.000 0.212 991 E C 0.306 176.823 176.600 -0.139 0.000 1.039 991 E CA 1.225 57.505 56.400 -0.200 0.000 0.860 991 E CB -0.327 29.293 29.700 -0.133 0.000 0.776 991 E HN 0.610 nan 8.360 nan 0.000 0.467 992 S N -1.041 114.615 115.700 -0.074 0.000 2.589 992 S HA 0.263 4.725 4.470 -0.013 0.000 0.210 992 S C 0.190 174.807 174.600 0.028 0.000 0.803 992 S CA -0.261 57.919 58.200 -0.033 0.000 1.061 992 S CB 0.190 63.380 63.200 -0.017 0.000 1.637 992 S HN 0.293 nan 8.310 nan 0.000 0.462 993 L N 0.698 121.952 121.223 0.051 0.000 4.291 993 L HA -0.209 4.124 4.340 -0.013 0.000 0.413 993 L C 0.796 177.801 176.870 0.226 0.000 1.162 993 L CA 0.584 55.533 54.840 0.182 0.000 0.961 993 L CB -2.201 39.964 42.059 0.177 0.000 2.095 993 L HN 0.676 nan 8.230 nan 0.000 0.838 994 S N -2.188 113.591 115.700 0.132 0.000 2.579 994 S HA 0.141 4.603 4.470 -0.013 0.000 0.275 994 S C 1.062 175.774 174.600 0.188 0.000 1.345 994 S CA 0.342 58.624 58.200 0.137 0.000 1.031 994 S CB 1.394 64.631 63.200 0.062 0.000 0.892 994 S HN 0.393 nan 8.310 nan 0.000 0.529 995 H N 1.764 120.895 119.070 0.101 0.000 2.422 995 H HA -0.079 4.470 4.556 -0.013 0.000 0.298 995 H C 2.099 177.511 175.328 0.139 0.000 1.098 995 H CA 2.400 58.522 56.048 0.124 0.000 1.315 995 H CB -0.334 29.456 29.762 0.047 0.000 1.382 995 H HN 0.767 nan 8.280 nan 0.000 0.523 996 T N -0.512 114.132 114.554 0.149 0.000 3.088 996 T HA 0.143 4.485 4.350 -0.013 0.000 0.259 996 T C 1.042 175.760 174.700 0.029 0.000 1.122 996 T CA 0.397 62.548 62.100 0.085 0.000 1.095 996 T CB -0.669 68.232 68.868 0.055 0.000 0.930 996 T HN 0.470 nan 8.240 nan 0.000 0.508 997 G N -0.909 107.906 108.800 0.025 0.000 2.588 997 G HA2 0.352 4.304 3.960 -0.013 0.000 0.278 997 G HA3 0.352 4.304 3.960 -0.013 0.000 0.278 997 G C -0.183 174.836 174.900 0.198 0.000 1.307 997 G CA -0.566 44.504 45.100 -0.051 0.000 1.016 997 G HN 0.560 nan 8.290 nan 0.000 0.503 998 Y N -0.658 119.746 120.300 0.173 0.000 2.607 998 Y HA 0.176 4.718 4.550 -0.012 0.000 0.266 998 Y C 1.198 177.380 175.900 0.470 0.000 1.178 998 Y CA -0.712 57.564 58.100 0.293 0.000 1.226 998 Y CB 0.404 38.989 38.460 0.209 0.000 1.144 998 Y HN 0.201 nan 8.280 nan 0.000 0.528 999 T N 2.345 117.250 114.554 0.584 0.000 2.831 999 T HA -0.135 4.208 4.350 -0.013 0.000 0.291 999 T C 0.864 175.940 174.700 0.627 0.000 0.981 999 T CA 0.589 63.065 62.100 0.626 0.000 1.174 999 T CB -0.124 69.083 68.868 0.565 0.000 0.929 999 T HN 0.592 nan 8.240 nan 0.000 0.532 1000 N N 1.570 120.569 118.700 0.500 0.000 2.741 1000 N HA -0.196 4.536 4.740 -0.013 0.000 0.250 1000 N C -0.613 175.094 175.510 0.329 0.000 1.115 1000 N CA 0.739 53.976 53.050 0.311 0.000 0.724 1000 N CB -0.390 38.209 38.487 0.187 0.000 1.090 1000 N HN 0.597 nan 8.380 nan 0.000 0.558 1001 K N 0.031 120.682 120.400 0.418 0.000 2.259 1001 K HA 0.227 4.540 4.320 -0.013 0.000 0.252 1001 K C -0.792 176.062 176.600 0.422 0.000 0.936 1001 K CA -0.595 55.946 56.287 0.422 0.000 0.810 1001 K CB 0.840 33.613 32.500 0.455 0.000 1.143 1001 K HN 0.087 nan 8.250 nan 0.000 0.427 1002 W N 4.067 125.579 121.300 0.353 0.000 2.308 1002 W HA 0.129 4.781 4.660 -0.013 0.000 0.324 1002 W C 0.047 176.915 176.519 0.582 0.000 1.387 1002 W CA -0.065 57.495 57.345 0.358 0.000 1.250 1002 W CB 0.109 29.694 29.460 0.208 0.000 1.257 1002 W HN 0.399 nan 8.180 nan 0.000 0.554 1003 F N 2.697 123.013 119.950 0.610 0.000 2.588 1003 F HA 0.603 5.122 4.527 -0.013 0.000 0.310 1003 F C -1.511 174.371 175.800 0.138 0.000 1.082 1003 F CA -2.431 55.742 58.000 0.288 0.000 0.929 1003 F CB 0.782 39.761 39.000 -0.034 0.000 1.254 1003 F HN 0.117 nan 8.300 nan 0.000 0.455 1004 F N 3.774 123.502 119.950 -0.371 0.000 2.411 1004 F HA 0.686 5.206 4.527 -0.012 0.000 0.355 1004 F C -0.964 174.500 175.800 -0.560 0.000 1.117 1004 F CA -1.140 56.279 58.000 -0.969 0.000 1.139 1004 F CB 1.063 39.198 39.000 -1.441 0.000 1.120 1004 F HN 0.419 nan 8.300 nan 0.000 0.493 1005 V N 4.900 124.084 119.914 -1.217 0.000 2.581 1005 V HA 0.626 4.738 4.120 -0.013 0.000 0.303 1005 V C -0.412 174.846 176.094 -1.393 0.000 1.041 1005 V CA -0.562 61.072 62.300 -1.111 0.000 0.907 1005 V CB 1.995 33.163 31.823 -1.091 0.000 0.994 1005 V HN 0.835 nan 8.190 nan 0.000 0.442 1006 T N 5.065 119.070 114.554 -0.913 0.000 3.071 1006 T HA 0.649 4.991 4.350 -0.013 0.000 0.311 1006 T C -0.983 173.448 174.700 -0.449 0.000 1.042 1006 T CA -0.237 61.426 62.100 -0.727 0.000 1.028 1006 T CB 1.403 69.844 68.868 -0.712 0.000 1.068 1006 T HN 0.293 nan 8.240 nan 0.000 0.451 1007 I N 3.304 123.563 120.570 -0.518 0.000 2.436 1007 I HA 0.571 4.733 4.170 -0.013 0.000 0.289 1007 I C 0.517 176.413 176.117 -0.369 0.000 1.010 1007 I CA -0.287 60.688 61.300 -0.541 0.000 1.098 1007 I CB 2.156 39.463 38.000 -1.154 0.000 1.266 1007 I HN 0.784 nan 8.210 nan 0.000 0.434 1008 T N 2.414 116.855 114.554 -0.188 0.000 2.908 1008 T HA 0.675 5.017 4.350 -0.013 0.000 0.290 1008 T C -0.637 174.042 174.700 -0.036 0.000 1.034 1008 T CA -0.900 61.140 62.100 -0.100 0.000 1.010 1008 T CB 1.825 70.677 68.868 -0.028 0.000 1.068 1008 T HN 0.423 nan 8.240 nan 0.000 0.481 1009 N N 1.816 120.517 118.700 0.001 0.000 2.235 1009 N HA 0.404 5.137 4.740 -0.013 0.000 0.293 1009 N C -1.327 174.222 175.510 0.065 0.000 1.083 1009 N CA -0.738 52.349 53.050 0.062 0.000 0.801 1009 N CB 2.668 41.208 38.487 0.088 0.000 1.559 1009 N HN 0.959 nan 8.380 nan 0.000 0.472 1010 N N -0.161 118.592 118.700 0.089 0.000 2.455 1010 N HA 0.365 5.098 4.740 -0.013 0.000 0.278 1010 N C 0.897 176.416 175.510 0.015 0.000 1.291 1010 N CA -0.738 52.342 53.050 0.051 0.000 0.780 1010 N CB 1.986 40.498 38.487 0.041 0.000 1.520 1010 N HN 0.430 nan 8.380 nan 0.000 0.486 1011 I N -3.258 117.275 120.570 -0.062 0.000 3.083 1011 I HA -0.067 4.096 4.170 -0.013 0.000 0.273 1011 I C 1.387 177.238 176.117 -0.444 0.000 1.297 1011 I CA 0.911 62.068 61.300 -0.238 0.000 1.452 1011 I CB -0.254 37.646 38.000 -0.166 0.000 1.078 1011 I HN 0.422 nan 8.210 nan 0.000 0.484 1012 M N 1.614 121.109 119.600 -0.174 0.000 2.492 1012 M HA 0.229 4.702 4.480 -0.013 0.000 0.262 1012 M C 1.523 177.815 176.300 -0.014 0.000 1.090 1012 M CA 1.109 56.373 55.300 -0.060 0.000 1.110 1012 M CB -0.257 32.428 32.600 0.141 0.000 1.407 1012 M HN 0.556 nan 8.290 nan 0.000 0.470 1013 G N -1.031 107.774 108.800 0.009 0.000 2.141 1013 G HA2 -0.256 3.696 3.960 -0.013 0.000 0.231 1013 G HA3 -0.256 3.696 3.960 -0.013 0.000 0.231 1013 G C -0.405 174.489 174.900 -0.010 0.000 0.984 1013 G CA -0.370 44.874 45.100 0.240 0.000 0.660 1013 G HN 0.425 nan 8.290 nan 0.000 0.525 1014 Y N 0.303 120.660 120.300 0.094 0.000 2.377 1014 Y HA 0.717 5.259 4.550 -0.013 0.000 0.339 1014 Y C 0.742 176.674 175.900 0.054 0.000 1.011 1014 Y CA -0.823 57.316 58.100 0.064 0.000 1.093 1014 Y CB 1.551 40.026 38.460 0.025 0.000 1.201 1014 Y HN 0.344 nan 8.280 nan 0.000 0.455 1015 M N 2.687 122.399 119.600 0.188 0.000 2.311 1015 M HA 0.684 5.156 4.480 -0.013 0.000 0.325 1015 M C -1.864 174.472 176.300 0.060 0.000 1.061 1015 M CA -0.680 54.686 55.300 0.111 0.000 0.957 1015 M CB 1.959 34.633 32.600 0.123 0.000 1.646 1015 M HN 0.486 nan 8.290 nan 0.000 0.434 1016 K N 2.837 123.231 120.400 -0.010 0.000 2.267 1016 K HA 0.751 5.063 4.320 -0.013 0.000 0.246 1016 K C -1.654 174.829 176.600 -0.196 0.000 0.954 1016 K CA -0.992 55.222 56.287 -0.120 0.000 0.824 1016 K CB 2.744 35.147 32.500 -0.162 0.000 1.167 1016 K HN 0.702 nan 8.250 nan 0.000 0.431 1017 L N 2.402 123.438 121.223 -0.312 0.000 2.325 1017 L HA 0.445 4.778 4.340 -0.013 0.000 0.281 1017 L C -1.812 174.792 176.870 -0.443 0.000 1.004 1017 L CA -0.313 54.355 54.840 -0.287 0.000 0.823 1017 L CB 0.661 42.618 42.059 -0.170 0.000 1.236 1017 L HN 0.515 nan 8.230 nan 0.000 0.415 1018 Y N 5.397 125.490 120.300 -0.345 0.000 2.429 1018 Y HA 0.688 5.231 4.550 -0.013 0.000 0.342 1018 Y C -0.245 175.373 175.900 -0.469 0.000 1.004 1018 Y CA -0.974 56.902 58.100 -0.372 0.000 1.075 1018 Y CB 2.099 40.340 38.460 -0.365 0.000 1.214 1018 Y HN 0.306 nan 8.280 nan 0.000 0.455 1019 I N 3.467 123.851 120.570 -0.311 0.000 2.468 1019 I HA 0.188 4.351 4.170 -0.013 0.000 0.285 1019 I C -0.465 175.470 176.117 -0.302 0.000 1.039 1019 I CA -0.972 60.104 61.300 -0.373 0.000 1.074 1019 I CB 1.345 38.955 38.000 -0.650 0.000 1.228 1019 I HN 0.788 nan 8.210 nan 0.000 0.436 1020 N N 4.927 123.431 118.700 -0.327 0.000 2.735 1020 N HA -0.203 4.530 4.740 -0.013 0.000 0.248 1020 N C 1.109 176.147 175.510 -0.787 0.000 1.083 1020 N CA 1.344 54.019 53.050 -0.625 0.000 0.703 1020 N CB -1.032 37.205 38.487 -0.417 0.000 1.005 1020 N HN 1.137 nan 8.380 nan 0.000 0.550 1021 G N -1.564 106.978 108.800 -0.429 0.000 2.162 1021 G HA2 -0.316 3.636 3.960 -0.013 0.000 0.260 1021 G HA3 -0.316 3.636 3.960 -0.013 0.000 0.260 1021 G C -0.363 174.474 174.900 -0.104 0.000 0.976 1021 G CA 0.565 45.498 45.100 -0.278 0.000 0.655 1021 G HN 0.422 nan 8.290 nan 0.000 0.533 1022 E N -0.100 120.039 120.200 -0.101 0.000 2.151 1022 E HA 0.482 4.825 4.350 -0.013 0.000 0.275 1022 E C 0.133 176.680 176.600 -0.089 0.000 0.936 1022 E CA -1.067 55.298 56.400 -0.059 0.000 0.777 1022 E CB 1.888 31.523 29.700 -0.108 0.000 1.108 1022 E HN 0.280 nan 8.360 nan 0.000 0.401 1023 L N 3.783 124.927 121.223 -0.132 0.000 2.513 1023 L HA -0.016 4.316 4.340 -0.013 0.000 0.272 1023 L C 0.869 177.546 176.870 -0.323 0.000 1.187 1023 L CA 0.767 55.317 54.840 -0.483 0.000 0.895 1023 L CB 0.315 42.107 42.059 -0.445 0.000 1.147 1023 L HN 0.303 nan 8.230 nan 0.000 0.483 1024 K N 3.192 123.379 120.400 -0.356 0.000 2.367 1024 K HA 0.285 4.598 4.320 -0.013 0.000 0.198 1024 K C -0.136 176.382 176.600 -0.136 0.000 1.132 1024 K CA 0.547 56.714 56.287 -0.200 0.000 0.941 1024 K CB 0.475 32.845 32.500 -0.217 0.000 1.052 1024 K HN 0.703 nan 8.250 nan 0.000 0.507 1025 Q N -0.288 119.401 119.800 -0.185 0.000 2.435 1025 Q HA 0.391 4.723 4.340 -0.013 0.000 0.282 1025 Q C -1.344 174.582 176.000 -0.124 0.000 1.020 1025 Q CA -0.456 55.286 55.803 -0.101 0.000 0.820 1025 Q CB 2.760 31.489 28.738 -0.015 0.000 1.436 1025 Q HN -0.145 nan 8.270 nan 0.000 0.395 1026 S N 1.224 116.897 115.700 -0.044 0.000 2.536 1026 S HA 0.593 5.056 4.470 -0.013 0.000 0.287 1026 S C -1.445 173.220 174.600 0.108 0.000 1.101 1026 S CA -0.606 57.604 58.200 0.017 0.000 0.950 1026 S CB 2.003 65.205 63.200 0.004 0.000 1.056 1026 S HN 0.485 nan 8.310 nan 0.000 0.481 1027 Q N 1.914 121.812 119.800 0.164 0.000 2.289 1027 Q HA 0.529 4.862 4.340 -0.013 0.000 0.270 1027 Q C -1.422 174.606 176.000 0.046 0.000 1.038 1027 Q CA -0.706 55.170 55.803 0.122 0.000 0.812 1027 Q CB 1.384 30.182 28.738 0.100 0.000 1.300 1027 Q HN 0.406 nan 8.270 nan 0.000 0.427 1028 K N 3.542 123.877 120.400 -0.107 0.000 2.276 1028 K HA 0.432 4.745 4.320 -0.013 0.000 0.283 1028 K C -0.884 175.613 176.600 -0.172 0.000 1.044 1028 K CA 0.059 56.098 56.287 -0.413 0.000 0.944 1028 K CB 0.435 32.683 32.500 -0.419 0.000 1.012 1028 K HN 0.742 nan 8.250 nan 0.000 0.472 1029 I N 4.808 125.297 120.570 -0.135 0.000 2.692 1029 I HA 0.185 4.347 4.170 -0.013 0.000 0.285 1029 I C 0.594 176.662 176.117 -0.082 0.000 1.191 1029 I CA -0.056 61.216 61.300 -0.046 0.000 1.128 1029 I CB 0.696 38.712 38.000 0.027 0.000 1.585 1029 I HN 0.817 nan 8.210 nan 0.000 0.558 1030 E N 1.585 121.729 120.200 -0.094 0.000 2.453 1030 E HA -0.055 4.288 4.350 -0.013 0.000 0.211 1030 E C 0.747 177.289 176.600 -0.097 0.000 0.897 1030 E CA 0.213 56.545 56.400 -0.112 0.000 1.063 1030 E CB 0.570 30.235 29.700 -0.059 0.000 1.080 1030 E HN 0.457 nan 8.360 nan 0.000 0.512 1031 D N 1.117 121.473 120.400 -0.074 0.000 2.178 1031 D HA -0.078 4.554 4.640 -0.013 0.000 0.201 1031 D C 0.852 177.113 176.300 -0.064 0.000 0.980 1031 D CA 0.901 54.863 54.000 -0.063 0.000 0.842 1031 D CB -0.015 40.751 40.800 -0.057 0.000 0.948 1031 D HN 0.249 nan 8.370 nan 0.000 0.472 1032 L N 1.021 122.205 121.223 -0.065 0.000 2.416 1032 L HA 0.288 4.620 4.340 -0.013 0.000 0.262 1032 L C 1.146 177.966 176.870 -0.083 0.000 1.093 1032 L CA -0.694 54.113 54.840 -0.054 0.000 0.801 1032 L CB 0.925 42.972 42.059 -0.020 0.000 1.191 1032 L HN -0.038 nan 8.230 nan 0.000 0.459 1033 D N 0.005 120.367 120.400 -0.063 0.000 3.221 1033 D HA 0.037 4.669 4.640 -0.013 0.000 0.207 1033 D C -0.198 176.067 176.300 -0.058 0.000 1.292 1033 D CA -0.388 53.567 54.000 -0.075 0.000 1.410 1033 D CB -0.131 40.637 40.800 -0.054 0.000 0.956 1033 D HN 0.462 nan 8.370 nan 0.000 0.177 1034 E N 0.509 120.690 120.200 -0.033 0.000 2.271 1034 E HA 0.312 4.655 4.350 -0.013 0.000 0.255 1034 E C -0.797 175.803 176.600 -0.001 0.000 1.177 1034 E CA 0.001 56.392 56.400 -0.016 0.000 0.946 1034 E CB 0.901 30.595 29.700 -0.010 0.000 1.009 1034 E HN 0.110 nan 8.360 nan 0.000 0.451 1035 V N 5.181 125.101 119.914 0.010 0.000 2.320 1035 V HA 0.098 4.211 4.120 -0.013 0.000 0.268 1035 V C -0.131 175.995 176.094 0.053 0.000 1.021 1035 V CA -0.902 61.419 62.300 0.036 0.000 0.813 1035 V CB 0.321 32.177 31.823 0.055 0.000 1.054 1035 V HN 0.534 nan 8.190 nan 0.000 0.444 1036 K N 4.494 124.917 120.400 0.039 0.000 2.172 1036 K HA 0.713 5.025 4.320 -0.013 0.000 0.276 1036 K C -0.710 175.920 176.600 0.049 0.000 1.013 1036 K CA -0.641 55.673 56.287 0.044 0.000 0.913 1036 K CB 1.801 34.316 32.500 0.025 0.000 1.055 1036 K HN 0.415 nan 8.250 nan 0.000 0.461 1037 L N 2.819 124.088 121.223 0.077 0.000 2.331 1037 L HA 0.128 4.461 4.340 -0.013 0.000 0.278 1037 L C 0.397 177.284 176.870 0.029 0.000 1.106 1037 L CA -0.515 54.377 54.840 0.086 0.000 0.824 1037 L CB 0.721 42.879 42.059 0.165 0.000 1.142 1037 L HN 0.798 nan 8.230 nan 0.000 0.443 1038 D N 2.171 122.550 120.400 -0.035 0.000 2.358 1038 D HA 0.061 4.693 4.640 -0.013 0.000 0.244 1038 D C 0.496 176.781 176.300 -0.026 0.000 1.163 1038 D CA -0.168 53.797 54.000 -0.059 0.000 0.945 1038 D CB 1.046 41.764 40.800 -0.137 0.000 1.152 1038 D HN 0.217 nan 8.370 nan 0.000 0.451 1039 K N 0.383 120.771 120.400 -0.020 0.000 2.387 1039 K HA 0.164 4.476 4.320 -0.013 0.000 0.198 1039 K C -0.247 176.348 176.600 -0.009 0.000 1.022 1039 K CA 0.124 56.414 56.287 0.006 0.000 1.128 1039 K CB 0.276 32.784 32.500 0.014 0.000 0.853 1039 K HN 0.316 nan 8.250 nan 0.000 0.523 1040 T N 0.975 115.495 114.554 -0.057 0.000 2.863 1040 T HA 0.593 4.935 4.350 -0.013 0.000 0.285 1040 T C -0.192 174.412 174.700 -0.159 0.000 1.009 1040 T CA -0.477 61.575 62.100 -0.080 0.000 0.989 1040 T CB 1.844 70.659 68.868 -0.089 0.000 1.004 1040 T HN -0.090 nan 8.240 nan 0.000 0.455 1041 I N 2.471 122.955 120.570 -0.143 0.000 2.478 1041 I HA 0.472 4.634 4.170 -0.013 0.000 0.287 1041 I C -0.883 175.079 176.117 -0.258 0.000 1.042 1041 I CA -1.039 60.095 61.300 -0.276 0.000 1.067 1041 I CB 2.076 39.982 38.000 -0.156 0.000 1.233 1041 I HN 0.250 nan 8.210 nan 0.000 0.431 1042 V N 6.592 126.287 119.914 -0.365 0.000 2.409 1042 V HA 0.429 4.542 4.120 -0.013 0.000 0.291 1042 V C -0.524 175.373 176.094 -0.328 0.000 1.020 1042 V CA -0.510 61.649 62.300 -0.235 0.000 0.848 1042 V CB 1.490 33.210 31.823 -0.171 0.000 0.990 1042 V HN 0.375 nan 8.190 nan 0.000 0.430 1043 F N 2.863 122.721 119.950 -0.154 0.000 2.408 1043 F HA 0.848 5.368 4.527 -0.012 0.000 0.344 1043 F C 0.850 176.606 175.800 -0.074 0.000 1.112 1043 F CA 0.214 58.149 58.000 -0.108 0.000 1.096 1043 F CB 1.964 40.890 39.000 -0.124 0.000 1.129 1043 F HN 0.749 nan 8.300 nan 0.000 0.486 1044 G N 2.785 111.653 108.800 0.113 0.000 2.333 1044 G HA2 0.193 4.145 3.960 -0.013 0.000 0.330 1044 G HA3 0.193 4.145 3.960 -0.013 0.000 0.330 1044 G C -1.832 173.082 174.900 0.023 0.000 1.465 1044 G CA -1.212 43.922 45.100 0.056 0.000 0.996 1044 G HN 0.558 nan 8.290 nan 0.000 0.655 1045 I N 1.299 121.877 120.570 0.013 0.000 2.321 1045 I HA 0.271 4.433 4.170 -0.013 0.000 0.291 1045 I C 0.307 176.441 176.117 0.030 0.000 0.998 1045 I CA -0.735 60.583 61.300 0.031 0.000 1.227 1045 I CB 1.712 39.714 38.000 0.004 0.000 1.368 1045 I HN 0.528 nan 8.210 nan 0.000 0.466 1046 D N 3.988 124.411 120.400 0.038 0.000 2.249 1046 D HA -0.014 4.619 4.640 -0.013 0.000 0.205 1046 D C 0.395 176.720 176.300 0.041 0.000 0.962 1046 D CA 0.810 54.822 54.000 0.021 0.000 0.860 1046 D CB 0.416 41.216 40.800 -0.000 0.000 0.955 1046 D HN 0.537 nan 8.370 nan 0.000 0.505 1047 E N 1.018 121.272 120.200 0.091 0.000 2.404 1047 E HA 0.044 4.386 4.350 -0.013 0.000 0.261 1047 E C 0.387 177.054 176.600 0.111 0.000 1.074 1047 E CA -0.164 56.304 56.400 0.113 0.000 0.917 1047 E CB 0.596 30.412 29.700 0.194 0.000 0.965 1047 E HN 0.028 nan 8.360 nan 0.000 0.433 1048 N N 2.219 120.970 118.700 0.085 0.000 2.492 1048 N HA 0.147 4.880 4.740 -0.013 0.000 0.262 1048 N C -0.641 174.925 175.510 0.093 0.000 1.202 1048 N CA -0.036 53.051 53.050 0.062 0.000 0.926 1048 N CB 0.370 38.882 38.487 0.042 0.000 1.078 1048 N HN 0.456 nan 8.380 nan 0.000 0.454 1049 I N -1.059 119.535 120.570 0.040 0.000 3.074 1049 I HA 0.495 4.657 4.170 -0.013 0.000 0.310 1049 I C -0.876 175.232 176.117 -0.015 0.000 1.153 1049 I CA -1.085 60.222 61.300 0.012 0.000 0.993 1049 I CB 2.058 40.013 38.000 -0.076 0.000 1.237 1049 I HN 0.261 nan 8.210 nan 0.000 0.443 1050 D N 1.861 122.245 120.400 -0.027 0.000 2.423 1050 D HA 0.161 4.794 4.640 -0.013 0.000 0.255 1050 D C 0.704 176.973 176.300 -0.051 0.000 1.174 1050 D CA -0.307 53.675 54.000 -0.030 0.000 1.008 1050 D CB 1.417 42.204 40.800 -0.021 0.000 1.101 1050 D HN 0.656 nan 8.370 nan 0.000 0.516 1051 E N 0.334 120.510 120.200 -0.041 0.000 2.049 1051 E HA -0.198 4.144 4.350 -0.013 0.000 0.198 1051 E C 0.870 177.433 176.600 -0.061 0.000 1.007 1051 E CA 1.038 57.411 56.400 -0.045 0.000 0.809 1051 E CB -0.028 29.656 29.700 -0.028 0.000 0.749 1051 E HN 0.306 nan 8.360 nan 0.000 0.450 1052 N N 1.099 119.765 118.700 -0.057 0.000 2.434 1052 N HA -0.016 4.716 4.740 -0.013 0.000 0.196 1052 N C -0.338 175.115 175.510 -0.095 0.000 1.183 1052 N CA 0.366 53.379 53.050 -0.062 0.000 0.849 1052 N CB 0.350 38.809 38.487 -0.046 0.000 0.992 1052 N HN 0.263 nan 8.380 nan 0.000 0.460 1053 Q N 1.167 120.894 119.800 -0.122 0.000 2.390 1053 Q HA 0.396 4.728 4.340 -0.013 0.000 0.249 1053 Q C 0.115 175.982 176.000 -0.222 0.000 0.996 1053 Q CA -0.056 55.644 55.803 -0.170 0.000 0.899 1053 Q CB 0.869 29.489 28.738 -0.197 0.000 1.216 1053 Q HN 0.289 nan 8.270 nan 0.000 0.465 1054 M N 0.939 120.386 119.600 -0.255 0.000 2.721 1054 M HA 0.742 5.215 4.480 -0.013 0.000 0.271 1054 M C -1.933 174.110 176.300 -0.428 0.000 1.259 1054 M CA -1.309 53.755 55.300 -0.393 0.000 0.835 1054 M CB 1.799 34.071 32.600 -0.547 0.000 1.689 1054 M HN 0.359 nan 8.290 nan 0.000 0.470 1055 L N -1.939 118.949 121.223 -0.559 0.000 2.568 1055 L HA 0.851 5.184 4.340 -0.013 0.000 0.257 1055 L C -2.218 174.376 176.870 -0.460 0.000 1.024 1055 L CA -0.442 54.189 54.840 -0.348 0.000 0.854 1055 L CB 1.853 43.840 42.059 -0.121 0.000 1.460 1055 L HN 0.875 nan 8.230 nan 0.000 0.409 1056 W N 1.420 122.580 121.300 -0.233 0.000 2.864 1056 W HA 0.814 5.467 4.660 -0.012 0.000 0.343 1056 W C -1.053 175.335 176.519 -0.217 0.000 1.109 1056 W CA -0.676 56.526 57.345 -0.237 0.000 1.192 1056 W CB 2.336 31.584 29.460 -0.353 0.000 1.426 1056 W HN 0.445 nan 8.180 nan 0.000 0.529 1057 I N 2.100 122.643 120.570 -0.044 0.000 2.769 1057 I HA 0.484 4.646 4.170 -0.013 0.000 0.298 1057 I C -0.317 175.720 176.117 -0.134 0.000 1.128 1057 I CA -1.039 60.211 61.300 -0.084 0.000 1.031 1057 I CB 2.892 40.607 38.000 -0.475 0.000 1.235 1057 I HN 0.355 nan 8.210 nan 0.000 0.423 1058 R N 3.598 124.244 120.500 0.245 0.000 2.707 1058 R HA 0.414 4.746 4.340 -0.013 0.000 0.272 1058 R C -1.462 175.020 176.300 0.304 0.000 1.011 1058 R CA -0.592 55.586 56.100 0.130 0.000 0.893 1058 R CB 1.695 31.919 30.300 -0.127 0.000 1.233 1058 R HN 0.619 nan 8.270 nan 0.000 0.464 1059 D N 1.464 122.018 120.400 0.257 0.000 2.737 1059 D HA -0.231 4.402 4.640 -0.013 0.000 0.238 1059 D C -0.996 175.579 176.300 0.458 0.000 1.157 1059 D CA 1.064 55.254 54.000 0.315 0.000 0.694 1059 D CB -0.797 40.160 40.800 0.261 0.000 1.021 1059 D HN 0.393 nan 8.370 nan 0.000 0.420 1060 F N 1.563 121.728 119.950 0.359 0.000 2.472 1060 F HA 0.246 4.766 4.527 -0.013 0.000 0.364 1060 F C 0.561 176.537 175.800 0.293 0.000 1.090 1060 F CA 0.042 58.289 58.000 0.413 0.000 1.188 1060 F CB 0.431 39.686 39.000 0.425 0.000 1.105 1060 F HN -0.092 nan 8.300 nan 0.000 0.536 1061 N N 5.749 124.290 118.700 -0.266 0.000 2.242 1061 N HA 0.610 5.343 4.740 -0.013 0.000 0.292 1061 N C -1.575 173.661 175.510 -0.457 0.000 1.125 1061 N CA -0.767 52.104 53.050 -0.298 0.000 0.783 1061 N CB 2.190 40.504 38.487 -0.288 0.000 1.558 1061 N HN 0.382 nan 8.380 nan 0.000 0.472 1062 I N 1.770 122.090 120.570 -0.416 0.000 2.498 1062 I HA 0.452 4.614 4.170 -0.013 0.000 0.290 1062 I C -1.236 174.659 176.117 -0.369 0.000 1.032 1062 I CA -0.592 60.575 61.300 -0.222 0.000 1.073 1062 I CB 1.291 39.291 38.000 -0.000 0.000 1.251 1062 I HN 0.344 nan 8.210 nan 0.000 0.426 1063 F N 2.372 122.289 119.950 -0.056 0.000 2.522 1063 F HA 0.252 4.772 4.527 -0.013 0.000 0.324 1063 F C 1.116 176.893 175.800 -0.038 0.000 1.077 1063 F CA -0.698 57.275 58.000 -0.044 0.000 0.944 1063 F CB 2.043 41.012 39.000 -0.053 0.000 1.175 1063 F HN 0.434 nan 8.300 nan 0.000 0.468 1064 S N 0.597 116.382 115.700 0.141 0.000 2.763 1064 S HA 0.218 4.680 4.470 -0.013 0.000 0.237 1064 S C -0.278 174.370 174.600 0.080 0.000 0.966 1064 S CA -0.433 57.812 58.200 0.075 0.000 1.017 1064 S CB -0.968 62.248 63.200 0.027 0.000 0.780 1064 S HN 0.722 nan 8.310 nan 0.000 0.476 1065 K N -0.198 120.258 120.400 0.093 0.000 2.555 1065 K HA 0.412 4.725 4.320 -0.013 0.000 0.279 1065 K C -1.469 175.128 176.600 -0.004 0.000 0.986 1065 K CA -0.934 55.376 56.287 0.038 0.000 0.880 1065 K CB 1.004 33.520 32.500 0.026 0.000 1.474 1065 K HN 0.033 nan 8.250 nan 0.000 0.433 1066 E N 2.721 122.902 120.200 -0.031 0.000 2.105 1066 E HA 0.156 4.498 4.350 -0.013 0.000 0.285 1066 E C -0.771 175.753 176.600 -0.126 0.000 1.055 1066 E CA -0.541 55.820 56.400 -0.065 0.000 0.843 1066 E CB 0.584 30.264 29.700 -0.033 0.000 1.067 1066 E HN 0.440 nan 8.360 nan 0.000 0.398 1067 L N 3.796 124.885 121.223 -0.224 0.000 2.416 1067 L HA 0.101 4.434 4.340 -0.013 0.000 0.272 1067 L C 0.883 177.591 176.870 -0.270 0.000 1.161 1067 L CA -0.294 54.365 54.840 -0.302 0.000 0.845 1067 L CB 1.012 42.778 42.059 -0.489 0.000 1.119 1067 L HN 0.594 nan 8.230 nan 0.000 0.464 1068 S N 1.441 117.009 115.700 -0.220 0.000 2.655 1068 S HA 0.119 4.582 4.470 -0.013 0.000 0.265 1068 S C 0.920 175.368 174.600 -0.253 0.000 1.240 1068 S CA -0.740 57.354 58.200 -0.177 0.000 0.986 1068 S CB 1.096 64.228 63.200 -0.113 0.000 0.985 1068 S HN 0.651 nan 8.310 nan 0.000 0.562 1069 N N 0.933 119.526 118.700 -0.177 0.000 2.104 1069 N HA -0.193 4.540 4.740 -0.013 0.000 0.190 1069 N C 1.655 177.066 175.510 -0.165 0.000 1.024 1069 N CA 1.751 54.689 53.050 -0.186 0.000 0.853 1069 N CB -0.523 37.951 38.487 -0.021 0.000 1.008 1069 N HN 0.869 nan 8.380 nan 0.000 0.424 1070 E N 0.345 120.476 120.200 -0.115 0.000 2.038 1070 E HA -0.193 4.150 4.350 -0.013 0.000 0.195 1070 E C 1.001 177.535 176.600 -0.109 0.000 1.000 1070 E CA 1.310 57.657 56.400 -0.088 0.000 0.803 1070 E CB -0.005 29.655 29.700 -0.066 0.000 0.750 1070 E HN 0.285 nan 8.360 nan 0.000 0.448 1071 D N 0.588 120.900 120.400 -0.146 0.000 2.116 1071 D HA -0.187 4.446 4.640 -0.013 0.000 0.193 1071 D C 2.105 178.292 176.300 -0.190 0.000 0.998 1071 D CA 1.193 55.091 54.000 -0.170 0.000 0.836 1071 D CB -0.361 40.306 40.800 -0.223 0.000 0.951 1071 D HN 0.323 nan 8.370 nan 0.000 0.449 1072 I N 0.706 121.119 120.570 -0.261 0.000 2.208 1072 I HA -0.291 3.871 4.170 -0.013 0.000 0.245 1072 I C 1.722 177.803 176.117 -0.061 0.000 1.097 1072 I CA 1.108 62.268 61.300 -0.233 0.000 1.363 1072 I CB -0.332 37.373 38.000 -0.491 0.000 1.051 1072 I HN -0.038 nan 8.210 nan 0.000 0.413 1073 N N 0.766 119.422 118.700 -0.072 0.000 2.309 1073 N HA -0.061 4.671 4.740 -0.013 0.000 0.182 1073 N C 1.835 177.373 175.510 0.047 0.000 1.018 1073 N CA 0.935 54.001 53.050 0.027 0.000 0.876 1073 N CB -0.060 38.429 38.487 0.004 0.000 0.972 1073 N HN 0.308 nan 8.380 nan 0.000 0.434 1074 I N -0.291 120.269 120.570 -0.016 0.000 2.252 1074 I HA -0.197 3.966 4.170 -0.013 0.000 0.245 1074 I C 1.714 177.812 176.117 -0.031 0.000 1.102 1074 I CA 0.730 62.016 61.300 -0.023 0.000 1.385 1074 I CB -0.146 37.832 38.000 -0.037 0.000 1.064 1074 I HN 0.001 nan 8.210 nan 0.000 0.414 1075 V N 0.343 120.236 119.914 -0.034 0.000 2.307 1075 V HA -0.322 3.791 4.120 -0.013 0.000 0.245 1075 V C 2.315 178.305 176.094 -0.175 0.000 1.045 1075 V CA 1.973 64.251 62.300 -0.037 0.000 1.024 1075 V CB -0.917 30.933 31.823 0.044 0.000 0.651 1075 V HN 0.403 nan 8.190 nan 0.000 0.449 1076 Y N 1.633 121.684 120.300 -0.415 0.000 2.097 1076 Y HA -0.300 4.243 4.550 -0.012 0.000 0.282 1076 Y C 2.570 178.344 175.900 -0.210 0.000 1.152 1076 Y CA 2.394 60.120 58.100 -0.625 0.000 1.136 1076 Y CB -0.346 37.883 38.460 -0.383 0.000 0.975 1076 Y HN 0.310 nan 8.280 nan 0.000 0.498 1077 E N -0.261 119.827 120.200 -0.187 0.000 2.153 1077 E HA -0.079 4.263 4.350 -0.013 0.000 0.194 1077 E C 2.351 178.832 176.600 -0.198 0.000 0.988 1077 E CA 1.426 57.689 56.400 -0.227 0.000 0.811 1077 E CB -0.785 28.877 29.700 -0.064 0.000 0.746 1077 E HN 0.582 nan 8.360 nan 0.000 0.466 1078 G N -0.428 108.285 108.800 -0.145 0.000 2.430 1078 G HA2 -0.207 3.746 3.960 -0.013 0.000 0.216 1078 G HA3 -0.207 3.746 3.960 -0.013 0.000 0.216 1078 G C 1.298 176.110 174.900 -0.147 0.000 1.146 1078 G CA 0.389 45.420 45.100 -0.114 0.000 0.793 1078 G HN 0.263 nan 8.290 nan 0.000 0.537 1079 Q N -0.702 118.994 119.800 -0.173 0.000 2.392 1079 Q HA 0.334 4.666 4.340 -0.013 0.000 0.203 1079 Q C 2.023 177.736 176.000 -0.479 0.000 0.917 1079 Q CA -0.211 55.453 55.803 -0.232 0.000 0.939 1079 Q CB 0.418 29.131 28.738 -0.042 0.000 1.063 1079 Q HN 0.509 nan 8.270 nan 0.000 0.516 1080 I N 0.692 121.023 120.570 -0.398 0.000 2.928 1080 I HA -0.075 4.087 4.170 -0.013 0.000 0.266 1080 I C -0.315 175.586 176.117 -0.360 0.000 1.234 1080 I CA 0.475 61.471 61.300 -0.505 0.000 1.483 1080 I CB 0.423 38.190 38.000 -0.388 0.000 1.097 1080 I HN 0.217 nan 8.210 nan 0.000 0.455 1081 L N 1.252 122.316 121.223 -0.266 0.000 3.523 1081 L HA -0.230 4.103 4.340 -0.013 0.000 0.668 1081 L C 1.006 177.799 176.870 -0.129 0.000 1.211 1081 L CA -0.297 54.441 54.840 -0.170 0.000 1.096 1081 L CB -1.177 40.796 42.059 -0.143 0.000 1.617 1081 L HN 0.370 nan 8.230 nan 0.000 0.873 1082 R N 0.984 121.415 120.500 -0.115 0.000 2.139 1082 R HA -0.115 4.218 4.340 -0.013 0.000 0.243 1082 R C 1.475 177.740 176.300 -0.059 0.000 1.145 1082 R CA 1.576 57.627 56.100 -0.081 0.000 0.976 1082 R CB -0.299 29.959 30.300 -0.070 0.000 0.866 1082 R HN 0.632 nan 8.270 nan 0.000 0.449 1083 N N 0.198 118.861 118.700 -0.061 0.000 2.398 1083 N HA -0.011 4.721 4.740 -0.013 0.000 0.188 1083 N C -0.263 175.209 175.510 -0.064 0.000 1.122 1083 N CA 0.209 53.229 53.050 -0.051 0.000 0.866 1083 N CB 0.597 39.057 38.487 -0.044 0.000 0.970 1083 N HN -0.072 nan 8.380 nan 0.000 0.462 1084 V N 3.107 122.973 119.914 -0.080 0.000 2.383 1084 V HA 0.218 4.330 4.120 -0.013 0.000 0.275 1084 V C 0.468 176.495 176.094 -0.111 0.000 1.036 1084 V CA -0.807 61.429 62.300 -0.105 0.000 0.889 1084 V CB 1.458 33.210 31.823 -0.118 0.000 0.985 1084 V HN -0.004 nan 8.190 nan 0.000 0.459 1085 I N 5.444 125.927 120.570 -0.146 0.000 2.752 1085 I HA 0.203 4.366 4.170 -0.013 0.000 0.287 1085 I C 0.522 176.534 176.117 -0.176 0.000 1.188 1085 I CA 0.131 61.333 61.300 -0.162 0.000 1.427 1085 I CB 0.251 38.094 38.000 -0.260 0.000 1.365 1085 I HN 0.516 nan 8.210 nan 0.000 0.585 1086 K N 4.222 124.557 120.400 -0.108 0.000 2.203 1086 K HA 0.347 4.659 4.320 -0.013 0.000 0.251 1086 K C -0.407 176.150 176.600 -0.072 0.000 0.944 1086 K CA -0.755 55.470 56.287 -0.103 0.000 0.829 1086 K CB 1.669 34.139 32.500 -0.049 0.000 1.125 1086 K HN 0.550 nan 8.250 nan 0.000 0.430 1087 D N -0.459 119.909 120.400 -0.053 0.000 2.478 1087 D HA -0.046 4.586 4.640 -0.013 0.000 0.269 1087 D C 1.216 177.591 176.300 0.125 0.000 1.232 1087 D CA -0.327 53.717 54.000 0.073 0.000 1.059 1087 D CB 0.031 40.964 40.800 0.222 0.000 1.104 1087 D HN 0.474 nan 8.370 nan 0.000 0.566 1088 Y N -0.322 119.949 120.300 -0.049 0.000 2.193 1088 Y HA -0.171 4.371 4.550 -0.013 0.000 0.285 1088 Y C 1.534 177.306 175.900 -0.212 0.000 1.166 1088 Y CA 1.407 59.365 58.100 -0.237 0.000 1.181 1088 Y CB -0.334 37.770 38.460 -0.593 0.000 0.976 1088 Y HN 0.484 nan 8.280 nan 0.000 0.520 1089 W N -0.751 120.560 121.300 0.018 0.000 3.047 1089 W HA 0.306 4.958 4.660 -0.013 0.000 0.250 1089 W C 1.864 178.291 176.519 -0.153 0.000 1.314 1089 W CA 0.697 57.990 57.345 -0.087 0.000 1.540 1089 W CB -0.133 29.319 29.460 -0.013 0.000 1.127 1089 W HN 0.218 nan 8.180 nan 0.000 0.679 1090 G N -0.057 108.533 108.800 -0.350 0.000 2.176 1090 G HA2 -0.268 3.685 3.960 -0.013 0.000 0.232 1090 G HA3 -0.268 3.685 3.960 -0.013 0.000 0.232 1090 G C 0.146 174.919 174.900 -0.212 0.000 0.986 1090 G CA -0.466 43.999 45.100 -1.058 0.000 0.643 1090 G HN 0.165 nan 8.290 nan 0.000 0.522 1091 N N 1.823 120.563 118.700 0.066 0.000 2.483 1091 N HA 0.446 5.179 4.740 -0.013 0.000 0.269 1091 N C -2.537 172.879 175.510 -0.158 0.000 1.209 1091 N CA -1.164 51.891 53.050 0.009 0.000 0.969 1091 N CB 1.039 39.573 38.487 0.078 0.000 1.173 1091 N HN 0.166 nan 8.380 nan 0.000 0.475 1092 P HA 0.054 nan 4.420 nan 0.000 0.271 1092 P C -0.046 177.148 177.300 -0.177 0.000 1.216 1092 P CA -0.431 62.504 63.100 -0.275 0.000 0.771 1092 P CB 0.645 32.120 31.700 -0.376 0.000 0.864 1093 L N 4.054 125.147 121.223 -0.216 0.000 2.456 1093 L HA 0.168 4.500 4.340 -0.013 0.000 0.272 1093 L C 0.579 177.326 176.870 -0.205 0.000 1.189 1093 L CA 0.876 55.562 54.840 -0.257 0.000 0.846 1093 L CB -0.107 41.633 42.059 -0.531 0.000 1.111 1093 L HN 0.327 nan 8.230 nan 0.000 0.475 1094 K N 3.508 123.898 120.400 -0.017 0.000 2.385 1094 K HA 0.432 4.745 4.320 -0.013 0.000 0.248 1094 K C -1.087 175.527 176.600 0.022 0.000 0.955 1094 K CA -0.791 55.480 56.287 -0.025 0.000 0.816 1094 K CB 1.615 34.176 32.500 0.103 0.000 1.250 1094 K HN 0.186 nan 8.250 nan 0.000 0.434 1095 F N 1.683 121.698 119.950 0.107 0.000 2.406 1095 F HA 0.022 4.543 4.527 -0.010 0.000 0.327 1095 F C 0.935 176.825 175.800 0.150 0.000 1.153 1095 F CA 0.390 58.440 58.000 0.083 0.000 1.218 1095 F CB 0.364 39.365 39.000 0.002 0.000 1.215 1095 F HN 0.669 nan 8.300 nan 0.000 0.570 1096 D N -0.018 120.585 120.400 0.338 0.000 2.983 1096 D HA -0.184 4.449 4.640 -0.013 0.000 0.225 1096 D C -0.333 176.152 176.300 0.308 0.000 1.174 1096 D CA 0.961 55.127 54.000 0.276 0.000 0.831 1096 D CB -1.656 39.236 40.800 0.152 0.000 1.104 1096 D HN 0.420 nan 8.370 nan 0.000 0.421 1097 T N 0.658 115.312 114.554 0.167 0.000 2.829 1097 T HA 0.347 4.690 4.350 -0.013 0.000 0.280 1097 T C 0.234 174.725 174.700 -0.349 0.000 0.999 1097 T CA -0.679 61.348 62.100 -0.122 0.000 0.983 1097 T CB 2.344 71.073 68.868 -0.231 0.000 0.968 1097 T HN -0.060 nan 8.240 nan 0.000 0.446 1098 E N 1.739 121.704 120.200 -0.392 0.000 2.338 1098 E HA 0.322 4.664 4.350 -0.013 0.000 0.272 1098 E C -1.194 175.052 176.600 -0.589 0.000 1.029 1098 E CA -0.156 56.029 56.400 -0.359 0.000 0.872 1098 E CB 0.680 30.218 29.700 -0.269 0.000 1.015 1098 E HN 0.515 nan 8.360 nan 0.000 0.417 1099 Y N 0.949 121.197 120.300 -0.087 0.000 2.492 1099 Y HA 0.257 4.799 4.550 -0.013 0.000 0.346 1099 Y C -0.935 174.880 175.900 -0.142 0.000 0.997 1099 Y CA -0.923 57.170 58.100 -0.012 0.000 1.025 1099 Y CB 1.184 39.773 38.460 0.214 0.000 1.263 1099 Y HN 0.429 nan 8.280 nan 0.000 0.454 1100 Y N 3.379 123.856 120.300 0.294 0.000 2.404 1100 Y HA 0.463 5.006 4.550 -0.012 0.000 0.344 1100 Y C -0.034 175.944 175.900 0.131 0.000 0.970 1100 Y CA -0.436 57.780 58.100 0.193 0.000 1.180 1100 Y CB 0.561 39.138 38.460 0.194 0.000 1.138 1100 Y HN 0.349 nan 8.280 nan 0.000 0.510 1101 I N 6.332 127.001 120.570 0.164 0.000 2.331 1101 I HA 0.379 4.541 4.170 -0.013 0.000 0.292 1101 I C -0.138 176.046 176.117 0.113 0.000 0.998 1101 I CA -0.589 60.690 61.300 -0.036 0.000 1.267 1101 I CB 0.630 38.500 38.000 -0.217 0.000 1.386 1101 I HN 0.512 nan 8.210 nan 0.000 0.476 1102 I N 3.218 123.841 120.570 0.089 0.000 2.828 1102 I HA 0.522 4.684 4.170 -0.013 0.000 0.302 1102 I C -0.791 175.376 176.117 0.082 0.000 1.101 1102 I CA -0.807 60.575 61.300 0.136 0.000 1.031 1102 I CB 2.095 40.120 38.000 0.042 0.000 1.231 1102 I HN 0.479 nan 8.210 nan 0.000 0.427 1103 N N 2.954 121.617 118.700 -0.062 0.000 2.518 1103 N HA 0.042 4.774 4.740 -0.013 0.000 0.283 1103 N C 0.259 175.594 175.510 -0.291 0.000 1.119 1103 N CA -0.020 52.728 53.050 -0.503 0.000 0.983 1103 N CB 1.699 39.794 38.487 -0.652 0.000 1.139 1103 N HN 0.855 nan 8.380 nan 0.000 0.465 1104 D N 1.952 122.166 120.400 -0.310 0.000 2.221 1104 D HA -0.094 4.538 4.640 -0.013 0.000 0.204 1104 D C 0.671 176.812 176.300 -0.265 0.000 0.982 1104 D CA 1.216 55.114 54.000 -0.169 0.000 0.857 1104 D CB 0.229 41.010 40.800 -0.031 0.000 0.934 1104 D HN 0.482 nan 8.370 nan 0.000 0.475 1105 N N -0.977 117.479 118.700 -0.407 0.000 2.353 1105 N HA -0.031 4.702 4.740 -0.013 0.000 0.185 1105 N C -0.442 174.446 175.510 -1.037 0.000 1.098 1105 N CA 0.296 52.932 53.050 -0.689 0.000 0.872 1105 N CB 0.296 38.280 38.487 -0.838 0.000 0.970 1105 N HN 0.293 nan 8.380 nan 0.000 0.467 1106 Y N 0.215 120.337 120.300 -0.296 0.000 2.501 1106 Y HA 0.295 4.837 4.550 -0.013 0.000 0.331 1106 Y C 1.367 177.081 175.900 -0.311 0.000 0.950 1106 Y CA -0.656 57.254 58.100 -0.317 0.000 1.120 1106 Y CB -0.277 37.986 38.460 -0.327 0.000 1.154 1106 Y HN -0.070 nan 8.280 nan 0.000 0.630 1107 I N -1.990 118.398 120.570 -0.302 0.000 2.700 1107 I HA -0.164 3.999 4.170 -0.013 0.000 0.261 1107 I C 1.060 176.847 176.117 -0.551 0.000 1.219 1107 I CA 1.503 62.538 61.300 -0.442 0.000 1.463 1107 I CB 0.073 37.639 38.000 -0.724 0.000 1.092 1107 I HN 0.262 nan 8.210 nan 0.000 0.452 1108 D N 1.193 121.314 120.400 -0.465 0.000 2.358 1108 D HA 0.116 4.748 4.640 -0.013 0.000 0.224 1108 D C 0.429 176.486 176.300 -0.405 0.000 1.123 1108 D CA -0.188 53.448 54.000 -0.607 0.000 0.833 1108 D CB 0.079 40.677 40.800 -0.336 0.000 0.946 1108 D HN 0.436 nan 8.370 nan 0.000 0.505 1109 R N 0.113 120.511 120.500 -0.171 0.000 2.686 1109 R HA 0.441 4.773 4.340 -0.013 0.000 0.286 1109 R C -1.115 175.401 176.300 0.359 0.000 0.969 1109 R CA -0.998 55.171 56.100 0.115 0.000 0.898 1109 R CB 1.729 32.007 30.300 -0.038 0.000 1.183 1109 R HN 0.116 nan 8.270 nan 0.000 0.456 1110 Y N -0.137 120.379 120.300 0.360 0.000 2.487 1110 Y HA 0.612 5.155 4.550 -0.013 0.000 0.337 1110 Y C -0.194 175.806 175.900 0.166 0.000 1.076 1110 Y CA -1.416 56.844 58.100 0.268 0.000 1.115 1110 Y CB 0.751 39.294 38.460 0.138 0.000 1.235 1110 Y HN 0.354 nan 8.280 nan 0.000 0.468 1111 I N 3.189 123.944 120.570 0.309 0.000 2.588 1111 I HA 0.512 4.674 4.170 -0.013 0.000 0.283 1111 I C 0.116 176.369 176.117 0.227 0.000 1.119 1111 I CA -0.065 61.338 61.300 0.171 0.000 1.419 1111 I CB 0.630 38.704 38.000 0.124 0.000 1.394 1111 I HN 0.875 nan 8.210 nan 0.000 0.562 1112 A N 8.358 131.230 122.820 0.087 0.000 2.594 1112 A HA 0.701 5.014 4.320 -0.013 0.000 0.296 1112 A C -2.877 174.682 177.584 -0.043 0.000 1.061 1112 A CA -1.162 50.929 52.037 0.091 0.000 0.689 1112 A CB 1.880 21.005 19.000 0.208 0.000 1.280 1112 A HN 0.444 nan 8.150 nan 0.000 0.406 1113 P HA 0.291 nan 4.420 nan 0.000 0.286 1113 P C -0.211 177.029 177.300 -0.100 0.000 1.269 1113 P CA 0.165 63.118 63.100 -0.244 0.000 0.787 1113 P CB 2.106 33.462 31.700 -0.575 0.000 0.920 1114 E N 1.897 122.132 120.200 0.057 0.000 2.068 1114 E HA 0.101 4.444 4.350 -0.013 0.000 0.201 1114 E C 0.121 176.798 176.600 0.129 0.000 0.947 1114 E CA 0.822 57.322 56.400 0.166 0.000 0.909 1114 E CB -0.123 29.849 29.700 0.454 0.000 1.015 1114 E HN 0.295 nan 8.360 nan 0.000 0.484 1115 S N 1.631 117.497 115.700 0.276 0.000 2.257 1115 S HA 0.210 4.672 4.470 -0.013 0.000 0.191 1115 S C 0.010 174.719 174.600 0.181 0.000 1.386 1115 S CA -0.196 58.111 58.200 0.178 0.000 1.233 1115 S CB -0.368 62.914 63.200 0.137 0.000 1.138 1115 S HN 0.437 nan 8.310 nan 0.000 0.483 1116 N N 0.739 119.467 118.700 0.047 0.000 2.741 1116 N HA -0.167 4.565 4.740 -0.013 0.000 0.250 1116 N C -0.913 174.588 175.510 -0.014 0.000 1.115 1116 N CA 0.228 53.262 53.050 -0.026 0.000 0.724 1116 N CB -0.550 37.933 38.487 -0.006 0.000 1.090 1116 N HN 0.302 nan 8.380 nan 0.000 0.558 1117 V N 2.220 122.145 119.914 0.018 0.000 2.483 1117 V HA 0.398 4.511 4.120 -0.013 0.000 0.297 1117 V C 0.231 176.272 176.094 -0.089 0.000 1.027 1117 V CA -0.859 61.389 62.300 -0.086 0.000 0.855 1117 V CB 1.739 33.400 31.823 -0.270 0.000 0.995 1117 V HN 0.059 nan 8.190 nan 0.000 0.424 1118 L N 6.052 127.204 121.223 -0.119 0.000 2.416 1118 L HA 0.531 4.863 4.340 -0.013 0.000 0.272 1118 L C 0.159 176.973 176.870 -0.093 0.000 1.161 1118 L CA 0.559 55.340 54.840 -0.098 0.000 0.845 1118 L CB 1.026 43.026 42.059 -0.099 0.000 1.119 1118 L HN 0.648 nan 8.230 nan 0.000 0.464 1119 V N 1.517 121.403 119.914 -0.048 0.000 3.130 1119 V HA 0.576 4.689 4.120 -0.013 0.000 0.310 1119 V C -0.476 175.597 176.094 -0.035 0.000 1.158 1119 V CA -1.137 61.142 62.300 -0.035 0.000 1.029 1119 V CB 2.429 34.266 31.823 0.024 0.000 1.057 1119 V HN 0.465 nan 8.190 nan 0.000 0.436 1120 L N 2.290 123.487 121.223 -0.043 0.000 2.259 1120 L HA 0.575 4.907 4.340 -0.013 0.000 0.288 1120 L C -0.492 176.295 176.870 -0.139 0.000 1.051 1120 L CA -0.604 54.180 54.840 -0.094 0.000 0.824 1120 L CB 1.348 43.318 42.059 -0.148 0.000 1.206 1120 L HN 0.517 nan 8.230 nan 0.000 0.429 1121 V N 3.267 122.974 119.914 -0.345 0.000 2.439 1121 V HA 0.160 4.273 4.120 -0.013 0.000 0.282 1121 V C 0.346 176.214 176.094 -0.375 0.000 1.039 1121 V CA -0.537 61.500 62.300 -0.437 0.000 0.913 1121 V CB 1.555 32.931 31.823 -0.745 0.000 0.983 1121 V HN 0.747 nan 8.190 nan 0.000 0.460 1122 Q N 3.077 122.832 119.800 -0.075 0.000 2.330 1122 Q HA 0.133 4.466 4.340 -0.013 0.000 0.279 1122 Q C -0.749 175.437 176.000 0.310 0.000 1.024 1122 Q CA 0.039 55.900 55.803 0.096 0.000 0.900 1122 Q CB 0.370 29.156 28.738 0.079 0.000 1.221 1122 Q HN 0.692 nan 8.270 nan 0.000 0.396 1123 Y N 4.795 125.189 120.300 0.157 0.000 2.712 1123 Y HA -0.066 4.477 4.550 -0.013 0.000 0.333 1123 Y C -0.932 175.061 175.900 0.155 0.000 1.225 1123 Y CA -1.196 57.041 58.100 0.229 0.000 1.499 1123 Y CB 0.462 38.999 38.460 0.128 0.000 1.288 1123 Y HN 0.725 nan 8.280 nan 0.000 0.575 1124 P HA -0.139 nan 4.420 nan 0.000 0.218 1124 P C -0.091 177.294 177.300 0.143 0.000 1.152 1124 P CA 1.358 64.557 63.100 0.165 0.000 0.826 1124 P CB 0.500 32.267 31.700 0.112 0.000 0.790 1125 D N -0.282 120.211 120.400 0.155 0.000 2.462 1125 D HA 0.126 4.759 4.640 -0.013 0.000 0.245 1125 D C 0.630 177.055 176.300 0.209 0.000 1.122 1125 D CA -0.600 53.483 54.000 0.140 0.000 0.864 1125 D CB 1.125 41.983 40.800 0.098 0.000 1.098 1125 D HN -0.229 nan 8.370 nan 0.000 0.541 1126 R N 1.614 122.214 120.500 0.166 0.000 2.341 1126 R HA -0.082 4.251 4.340 -0.013 0.000 0.213 1126 R C 1.575 177.952 176.300 0.127 0.000 1.082 1126 R CA 1.174 57.352 56.100 0.131 0.000 1.017 1126 R CB 0.289 30.617 30.300 0.047 0.000 0.860 1126 R HN 0.364 nan 8.270 nan 0.000 0.473 1127 S N -1.117 114.672 115.700 0.149 0.000 2.497 1127 S HA 0.113 4.575 4.470 -0.013 0.000 0.218 1127 S C 0.742 175.464 174.600 0.204 0.000 1.023 1127 S CA -0.201 58.095 58.200 0.160 0.000 0.913 1127 S CB 0.345 63.621 63.200 0.126 0.000 0.800 1127 S HN -0.067 nan 8.310 nan 0.000 0.505 1128 K N 1.827 122.340 120.400 0.189 0.000 2.310 1128 K HA 0.258 4.571 4.320 -0.013 0.000 0.290 1128 K C 0.479 177.177 176.600 0.163 0.000 1.077 1128 K CA -0.286 56.090 56.287 0.148 0.000 0.922 1128 K CB 1.169 33.716 32.500 0.079 0.000 1.057 1128 K HN 0.262 nan 8.250 nan 0.000 0.479 1129 L N 5.374 126.636 121.223 0.066 0.000 2.072 1129 L HA -0.051 4.281 4.340 -0.013 0.000 0.205 1129 L C 0.488 177.253 176.870 -0.176 0.000 1.079 1129 L CA 1.486 56.293 54.840 -0.054 0.000 0.752 1129 L CB -0.203 41.626 42.059 -0.383 0.000 0.906 1129 L HN 0.552 nan 8.230 nan 0.000 0.436 1130 Y N 0.593 120.791 120.300 -0.170 0.000 2.623 1130 Y HA 0.218 4.761 4.550 -0.012 0.000 0.341 1130 Y C 0.014 175.425 175.900 -0.814 0.000 1.292 1130 Y CA -0.760 56.942 58.100 -0.663 0.000 1.840 1130 Y CB -0.586 37.725 38.460 -0.248 0.000 1.865 1130 Y HN -0.037 nan 8.280 nan 0.000 0.440 1131 T N 1.078 115.143 114.554 -0.815 0.000 2.824 1131 T HA 0.724 5.067 4.350 -0.013 0.000 0.282 1131 T C 0.330 174.596 174.700 -0.722 0.000 0.993 1131 T CA -0.262 61.362 62.100 -0.793 0.000 0.967 1131 T CB 1.700 69.874 68.868 -1.156 0.000 0.960 1131 T HN 0.859 nan 8.240 nan 0.000 0.441 1132 G N 3.242 111.711 108.800 -0.552 0.000 2.270 1132 G HA2 -0.004 3.949 3.960 -0.013 0.000 0.268 1132 G HA3 -0.004 3.949 3.960 -0.013 0.000 0.268 1132 G C -1.685 173.276 174.900 0.101 0.000 1.312 1132 G CA -1.122 43.760 45.100 -0.363 0.000 1.050 1132 G HN 0.675 nan 8.290 nan 0.000 0.474 1133 N N 2.703 121.532 118.700 0.214 0.000 2.558 1133 N HA 0.531 5.264 4.740 -0.013 0.000 0.242 1133 N C -2.594 172.968 175.510 0.087 0.000 0.979 1133 N CA -1.182 51.982 53.050 0.189 0.000 0.931 1133 N CB 2.113 40.754 38.487 0.256 0.000 1.122 1133 N HN 0.466 nan 8.380 nan 0.000 0.508 1134 P HA -0.012 nan 4.420 nan 0.000 0.264 1134 P C -0.581 176.686 177.300 -0.056 0.000 1.183 1134 P CA 0.456 63.380 63.100 -0.293 0.000 0.763 1134 P CB 1.112 32.594 31.700 -0.364 0.000 0.807 1135 I N 2.205 122.768 120.570 -0.012 0.000 2.433 1135 I HA 0.250 4.413 4.170 -0.013 0.000 0.292 1135 I C 0.485 176.693 176.117 0.151 0.000 1.001 1135 I CA -0.450 60.911 61.300 0.102 0.000 1.119 1135 I CB 2.030 40.101 38.000 0.119 0.000 1.289 1135 I HN 0.180 nan 8.210 nan 0.000 0.438 1136 T N 6.571 121.223 114.554 0.163 0.000 2.824 1136 T HA 0.588 4.930 4.350 -0.013 0.000 0.280 1136 T C -0.105 174.695 174.700 0.166 0.000 0.995 1136 T CA -0.370 61.832 62.100 0.170 0.000 1.009 1136 T CB 1.214 70.174 68.868 0.154 0.000 0.955 1136 T HN 0.251 nan 8.240 nan 0.000 0.452 1137 I N 3.606 124.303 120.570 0.211 0.000 2.353 1137 I HA 0.395 4.557 4.170 -0.013 0.000 0.293 1137 I C 0.172 176.444 176.117 0.258 0.000 0.992 1137 I CA -0.923 60.490 61.300 0.188 0.000 1.268 1137 I CB 0.856 38.941 38.000 0.142 0.000 1.387 1137 I HN 0.219 nan 8.210 nan 0.000 0.478 1138 K N 4.417 124.886 120.400 0.115 0.000 2.259 1138 K HA 0.469 4.782 4.320 -0.013 0.000 0.249 1138 K C -0.534 176.017 176.600 -0.081 0.000 0.942 1138 K CA -0.688 55.592 56.287 -0.011 0.000 0.816 1138 K CB 2.000 34.370 32.500 -0.217 0.000 1.155 1138 K HN 0.666 nan 8.250 nan 0.000 0.428 1139 S N -0.061 115.314 115.700 -0.542 0.000 2.537 1139 S HA 0.214 4.676 4.470 -0.013 0.000 0.275 1139 S C 1.307 175.719 174.600 -0.314 0.000 1.272 1139 S CA -0.882 56.894 58.200 -0.706 0.000 1.050 1139 S CB 1.154 63.527 63.200 -1.379 0.000 0.961 1139 S HN 0.259 nan 8.310 nan 0.000 0.496 1140 V N 2.089 121.900 119.914 -0.173 0.000 2.244 1140 V HA -0.081 4.031 4.120 -0.013 0.000 0.244 1140 V C 1.669 177.682 176.094 -0.135 0.000 1.042 1140 V CA 1.875 64.106 62.300 -0.115 0.000 1.006 1140 V CB -1.045 30.740 31.823 -0.063 0.000 0.641 1140 V HN 1.042 nan 8.190 nan 0.000 0.446 1141 S N 0.446 116.065 115.700 -0.136 0.000 3.483 1141 S HA 0.216 4.678 4.470 -0.013 0.000 0.274 1141 S C -0.447 174.048 174.600 -0.175 0.000 1.289 1141 S CA -0.786 57.340 58.200 -0.124 0.000 0.938 1141 S CB -0.753 62.396 63.200 -0.085 0.000 1.453 1141 S HN 0.506 nan 8.310 nan 0.000 0.494 1142 D N 2.652 122.940 120.400 -0.186 0.000 2.795 1142 D HA -0.014 4.619 4.640 -0.013 0.000 0.221 1142 D C 0.876 177.065 176.300 -0.186 0.000 1.108 1142 D CA 0.955 54.827 54.000 -0.213 0.000 0.832 1142 D CB 0.562 41.268 40.800 -0.157 0.000 1.183 1142 D HN 0.602 nan 8.370 nan 0.000 0.503 1143 K N 1.420 121.690 120.400 -0.217 0.000 4.487 1143 K HA 0.303 4.616 4.320 -0.013 0.000 0.281 1143 K C -0.388 176.142 176.600 -0.117 0.000 1.137 1143 K CA -0.614 55.587 56.287 -0.143 0.000 1.838 1143 K CB 0.209 32.634 32.500 -0.126 0.000 3.041 1143 K HN 0.176 nan 8.250 nan 0.000 0.759 1144 N N 1.021 119.662 118.700 -0.098 0.000 2.238 1144 N HA 0.279 5.012 4.740 -0.013 0.000 0.302 1144 N C -2.430 173.003 175.510 -0.127 0.000 1.072 1144 N CA -1.532 51.465 53.050 -0.088 0.000 0.792 1144 N CB 1.698 40.162 38.487 -0.038 0.000 1.425 1144 N HN -0.044 nan 8.380 nan 0.000 0.478 1145 P HA -0.251 nan 4.420 nan 0.000 0.229 1145 P C -0.120 176.921 177.300 -0.432 0.000 0.791 1145 P CA 1.891 64.708 63.100 -0.471 0.000 1.091 1145 P CB -0.060 31.247 31.700 -0.656 0.000 0.715 1146 Y N -0.959 119.381 120.300 0.067 0.000 2.801 1146 Y HA 0.250 4.793 4.550 -0.011 0.000 0.340 1146 Y C 1.188 177.142 175.900 0.090 0.000 1.088 1146 Y CA -0.586 57.565 58.100 0.086 0.000 1.444 1146 Y CB -1.364 37.118 38.460 0.037 0.000 1.251 1146 Y HN -0.078 nan 8.280 nan 0.000 0.522 1147 S N -0.059 115.764 115.700 0.206 0.000 2.593 1147 S HA 0.328 4.790 4.470 -0.013 0.000 0.269 1147 S C 0.385 175.071 174.600 0.143 0.000 1.334 1147 S CA -1.004 57.299 58.200 0.171 0.000 1.015 1147 S CB 0.944 64.240 63.200 0.160 0.000 0.912 1147 S HN 0.464 nan 8.310 nan 0.000 0.541 1148 R N 0.364 120.880 120.500 0.027 0.000 2.694 1148 R HA 0.303 4.635 4.340 -0.013 0.000 0.268 1148 R C -0.369 175.823 176.300 -0.180 0.000 1.061 1148 R CA 0.054 56.094 56.100 -0.099 0.000 1.133 1148 R CB 0.099 30.334 30.300 -0.108 0.000 1.020 1148 R HN 0.614 nan 8.270 nan 0.000 0.475 1149 I N 4.047 124.391 120.570 -0.376 0.000 2.321 1149 I HA 0.222 4.385 4.170 -0.013 0.000 0.291 1149 I C -0.011 175.961 176.117 -0.241 0.000 0.998 1149 I CA -0.400 60.607 61.300 -0.488 0.000 1.227 1149 I CB 0.938 38.479 38.000 -0.764 0.000 1.368 1149 I HN 0.271 nan 8.210 nan 0.000 0.466 1150 L N 5.864 127.017 121.223 -0.118 0.000 2.344 1150 L HA 0.416 4.748 4.340 -0.013 0.000 0.272 1150 L C 0.352 177.191 176.870 -0.051 0.000 1.035 1150 L CA -0.876 53.921 54.840 -0.072 0.000 0.807 1150 L CB 1.190 43.233 42.059 -0.027 0.000 1.237 1150 L HN 0.671 nan 8.230 nan 0.000 0.442 1151 N N 0.230 118.907 118.700 -0.039 0.000 2.492 1151 N HA 0.259 4.992 4.740 -0.013 0.000 0.262 1151 N C 0.749 176.265 175.510 0.010 0.000 1.202 1151 N CA 0.222 53.267 53.050 -0.008 0.000 0.926 1151 N CB 0.963 39.451 38.487 0.002 0.000 1.078 1151 N HN 0.864 nan 8.380 nan 0.000 0.454 1152 G N 0.975 109.795 108.800 0.033 0.000 2.213 1152 G HA2 -0.243 3.709 3.960 -0.013 0.000 0.236 1152 G HA3 -0.243 3.709 3.960 -0.013 0.000 0.236 1152 G C -0.446 174.484 174.900 0.049 0.000 0.991 1152 G CA -0.100 45.020 45.100 0.033 0.000 0.629 1152 G HN 0.679 nan 8.290 nan 0.000 0.517 1153 D N 1.297 121.732 120.400 0.059 0.000 2.399 1153 D HA 0.381 5.013 4.640 -0.013 0.000 0.241 1153 D C 0.470 176.838 176.300 0.114 0.000 1.133 1153 D CA -0.076 53.981 54.000 0.096 0.000 0.890 1153 D CB 0.402 41.291 40.800 0.148 0.000 1.201 1153 D HN 0.168 nan 8.370 nan 0.000 0.432 1154 N N 1.004 119.770 118.700 0.109 0.000 2.472 1154 N HA 0.397 5.129 4.740 -0.013 0.000 0.277 1154 N C -0.258 175.339 175.510 0.144 0.000 1.081 1154 N CA -0.354 52.756 53.050 0.100 0.000 0.973 1154 N CB 0.881 39.396 38.487 0.047 0.000 1.105 1154 N HN 0.338 nan 8.380 nan 0.000 0.470 1155 I N -1.192 119.478 120.570 0.165 0.000 2.969 1155 I HA 0.647 4.810 4.170 -0.013 0.000 0.307 1155 I C -0.885 175.336 176.117 0.173 0.000 1.149 1155 I CA -0.783 60.642 61.300 0.208 0.000 1.008 1155 I CB 1.704 39.841 38.000 0.229 0.000 1.232 1155 I HN 0.304 nan 8.210 nan 0.000 0.435 1156 I N 3.907 124.548 120.570 0.119 0.000 2.608 1156 I HA 0.478 4.640 4.170 -0.013 0.000 0.295 1156 I C -1.129 175.001 176.117 0.021 0.000 1.049 1156 I CA -0.780 60.566 61.300 0.077 0.000 1.063 1156 I CB 2.146 40.126 38.000 -0.032 0.000 1.248 1156 I HN 0.446 nan 8.210 nan 0.000 0.424 1157 L N 5.554 126.842 121.223 0.109 0.000 2.313 1157 L HA 0.468 4.801 4.340 -0.013 0.000 0.283 1157 L C -0.929 176.054 176.870 0.188 0.000 1.013 1157 L CA -0.777 54.115 54.840 0.086 0.000 0.816 1157 L CB 0.980 43.080 42.059 0.070 0.000 1.236 1157 L HN 0.453 nan 8.230 nan 0.000 0.419 1158 H N 4.211 123.357 119.070 0.127 0.000 2.481 1158 H HA 0.453 5.001 4.556 -0.014 0.000 0.333 1158 H C -0.633 174.768 175.328 0.121 0.000 1.066 1158 H CA -0.549 55.572 56.048 0.121 0.000 1.209 1158 H CB 2.116 31.940 29.762 0.104 0.000 1.445 1158 H HN 0.521 nan 8.280 nan 0.000 0.488 1159 M N 4.062 123.822 119.600 0.267 0.000 2.268 1159 M HA 0.275 4.747 4.480 -0.013 0.000 0.344 1159 M C -1.152 175.302 176.300 0.256 0.000 1.106 1159 M CA -1.264 54.165 55.300 0.214 0.000 1.010 1159 M CB 1.142 33.843 32.600 0.168 0.000 1.649 1159 M HN 0.393 nan 8.290 nan 0.000 0.443 1160 L N 6.666 128.010 121.223 0.202 0.000 2.261 1160 L HA 0.346 4.678 4.340 -0.013 0.000 0.289 1160 L C -1.997 175.039 176.870 0.278 0.000 1.059 1160 L CA 0.113 55.070 54.840 0.195 0.000 0.816 1160 L CB 0.358 42.478 42.059 0.101 0.000 1.191 1160 L HN 0.689 nan 8.230 nan 0.000 0.431 1161 Y N 5.690 126.116 120.300 0.210 0.000 2.326 1161 Y HA 0.348 4.890 4.550 -0.013 0.000 0.329 1161 Y C 0.294 176.309 175.900 0.192 0.000 0.973 1161 Y CA -0.881 57.326 58.100 0.178 0.000 1.162 1161 Y CB 0.819 39.350 38.460 0.118 0.000 1.147 1161 Y HN 0.762 nan 8.280 nan 0.000 0.456 1162 N N 4.275 122.753 118.700 -0.371 0.000 2.688 1162 N HA -0.247 4.486 4.740 -0.013 0.000 0.258 1162 N C 0.147 175.603 175.510 -0.090 0.000 1.016 1162 N CA 1.635 54.503 53.050 -0.303 0.000 0.747 1162 N CB -1.192 37.005 38.487 -0.484 0.000 0.895 1162 N HN 0.808 nan 8.380 nan 0.000 0.543 1163 S N -2.619 113.062 115.700 -0.031 0.000 3.127 1163 S HA -0.299 4.163 4.470 -0.013 0.000 0.281 1163 S C 0.460 175.061 174.600 0.002 0.000 1.293 1163 S CA 1.639 59.835 58.200 -0.007 0.000 1.156 1163 S CB -0.625 62.563 63.200 -0.021 0.000 1.389 1163 S HN 0.810 nan 8.310 nan 0.000 0.672 1164 R N 0.970 121.496 120.500 0.044 0.000 2.740 1164 R HA 0.455 4.787 4.340 -0.013 0.000 0.282 1164 R C -1.133 175.145 176.300 -0.037 0.000 0.969 1164 R CA -0.872 55.204 56.100 -0.040 0.000 0.918 1164 R CB 0.669 30.913 30.300 -0.094 0.000 1.175 1164 R HN -0.115 nan 8.270 nan 0.000 0.464 1165 K N 3.134 123.413 120.400 -0.202 0.000 2.211 1165 K HA 0.259 4.572 4.320 -0.013 0.000 0.275 1165 K C -1.275 175.120 176.600 -0.342 0.000 1.024 1165 K CA -0.170 56.027 56.287 -0.151 0.000 0.887 1165 K CB 1.121 33.523 32.500 -0.163 0.000 1.084 1165 K HN 0.465 nan 8.250 nan 0.000 0.463 1166 Y N 0.726 121.011 120.300 -0.024 0.000 2.536 1166 Y HA 0.412 4.954 4.550 -0.013 0.000 0.347 1166 Y C 0.356 176.256 175.900 -0.000 0.000 1.000 1166 Y CA -1.059 57.026 58.100 -0.025 0.000 1.051 1166 Y CB 2.151 40.626 38.460 0.025 0.000 1.259 1166 Y HN 0.423 nan 8.280 nan 0.000 0.468 1167 M N 3.422 123.132 119.600 0.183 0.000 2.264 1167 M HA 0.531 5.004 4.480 -0.013 0.000 0.352 1167 M C -1.454 174.965 176.300 0.198 0.000 1.173 1167 M CA -0.246 55.211 55.300 0.261 0.000 1.075 1167 M CB 0.569 33.307 32.600 0.230 0.000 1.621 1167 M HN 0.590 nan 8.290 nan 0.000 0.457 1168 I N 6.799 127.495 120.570 0.211 0.000 2.441 1168 I HA 0.297 4.460 4.170 -0.013 0.000 0.287 1168 I C -0.178 176.052 176.117 0.188 0.000 1.049 1168 I CA -0.415 60.971 61.300 0.144 0.000 1.381 1168 I CB 0.463 38.518 38.000 0.093 0.000 1.409 1168 I HN 0.698 nan 8.210 nan 0.000 0.523 1169 I N 3.404 124.035 120.570 0.101 0.000 3.042 1169 I HA 0.589 4.752 4.170 -0.013 0.000 0.310 1169 I C -0.469 175.676 176.117 0.046 0.000 1.117 1169 I CA -1.136 60.187 61.300 0.040 0.000 1.003 1169 I CB 1.987 39.935 38.000 -0.087 0.000 1.228 1169 I HN 0.492 nan 8.210 nan 0.000 0.443 1170 R N 1.814 122.298 120.500 -0.025 0.000 2.459 1170 R HA 0.184 4.516 4.340 -0.013 0.000 0.281 1170 R C -0.739 175.522 176.300 -0.064 0.000 1.050 1170 R CA -0.441 55.653 56.100 -0.011 0.000 1.055 1170 R CB 0.913 31.171 30.300 -0.070 0.000 1.045 1170 R HN 0.760 nan 8.270 nan 0.000 0.495 1171 D N 0.945 121.343 120.400 -0.003 0.000 2.345 1171 D HA -0.024 4.608 4.640 -0.013 0.000 0.247 1171 D C 0.986 177.296 176.300 0.016 0.000 1.108 1171 D CA 0.090 54.102 54.000 0.020 0.000 0.894 1171 D CB 1.652 42.489 40.800 0.062 0.000 1.203 1171 D HN 0.628 nan 8.370 nan 0.000 0.430 1172 T N -0.193 114.379 114.554 0.030 0.000 2.942 1172 T HA -0.025 4.317 4.350 -0.013 0.000 0.265 1172 T C 0.434 175.222 174.700 0.148 0.000 1.062 1172 T CA 0.319 62.449 62.100 0.051 0.000 1.139 1172 T CB 0.070 68.981 68.868 0.072 0.000 0.883 1172 T HN 0.283 nan 8.240 nan 0.000 0.468 1173 D N 1.874 122.371 120.400 0.162 0.000 2.175 1173 D HA 0.334 4.966 4.640 -0.013 0.000 0.248 1173 D C -0.085 176.302 176.300 0.145 0.000 1.047 1173 D CA -0.115 53.968 54.000 0.139 0.000 0.883 1173 D CB 1.776 42.597 40.800 0.036 0.000 1.180 1173 D HN 0.158 nan 8.370 nan 0.000 0.438 1174 T N 0.552 115.066 114.554 -0.067 0.000 2.860 1174 T HA 0.383 4.726 4.350 -0.013 0.000 0.299 1174 T C 0.502 174.956 174.700 -0.411 0.000 1.045 1174 T CA -0.692 61.138 62.100 -0.450 0.000 1.071 1174 T CB 0.206 68.699 68.868 -0.625 0.000 0.985 1174 T HN 0.342 nan 8.240 nan 0.000 0.537 1175 I N 1.840 122.179 120.570 -0.384 0.000 2.428 1175 I HA 0.407 4.569 4.170 -0.013 0.000 0.289 1175 I C -0.817 175.143 176.117 -0.261 0.000 1.019 1175 I CA -1.154 59.981 61.300 -0.274 0.000 1.351 1175 I CB 0.482 38.355 38.000 -0.212 0.000 1.412 1175 I HN 0.495 nan 8.210 nan 0.000 0.513 1176 Y N 5.651 125.921 120.300 -0.051 0.000 2.569 1176 Y HA 0.447 4.990 4.550 -0.012 0.000 0.332 1176 Y C 0.951 176.863 175.900 0.020 0.000 1.120 1176 Y CA 1.284 59.373 58.100 -0.018 0.000 1.416 1176 Y CB -0.042 38.416 38.460 -0.003 0.000 1.210 1176 Y HN 1.085 nan 8.280 nan 0.000 0.528 1186 N N -1.554 117.160 118.700 0.023 0.000 2.670 1186 N HA 0.136 4.868 4.740 -0.013 0.000 0.375 1186 N C -0.909 174.574 175.510 -0.045 0.000 0.688 1186 N CA 0.051 53.101 53.050 -0.000 0.000 1.787 1186 N CB 0.593 39.083 38.487 0.006 0.000 0.939 1186 N HN 0.440 nan 8.380 nan 0.000 1.817 1187 C N 2.110 121.370 119.300 -0.067 0.000 2.401 1187 C HA 0.741 5.194 4.460 -0.013 0.000 0.365 1187 C C -0.028 174.786 174.990 -0.293 0.000 1.250 1187 C CA -0.380 58.497 59.018 -0.236 0.000 2.131 1187 C CB 0.648 28.248 27.740 -0.233 0.000 2.445 1187 C HN 0.189 nan 8.230 nan 0.000 0.550 1188 V N 3.193 122.791 119.914 -0.526 0.000 2.524 1188 V HA 0.392 4.505 4.120 -0.013 0.000 0.297 1188 V C -1.236 174.499 176.094 -0.598 0.000 1.035 1188 V CA -0.518 61.526 62.300 -0.426 0.000 0.867 1188 V CB 0.984 32.596 31.823 -0.352 0.000 1.004 1188 V HN 0.815 nan 8.190 nan 0.000 0.426 1189 Y N 2.395 122.616 120.300 -0.131 0.000 2.429 1189 Y HA 0.805 5.349 4.550 -0.010 0.000 0.342 1189 Y C 0.591 176.398 175.900 -0.154 0.000 1.004 1189 Y CA -0.650 57.377 58.100 -0.122 0.000 1.075 1189 Y CB 1.808 40.243 38.460 -0.042 0.000 1.214 1189 Y HN 0.726 nan 8.280 nan 0.000 0.455 1190 A N 2.467 125.273 122.820 -0.023 0.000 2.272 1190 A HA 0.681 4.993 4.320 -0.013 0.000 0.275 1190 A C -1.089 176.472 177.584 -0.038 0.000 1.096 1190 A CA -0.410 51.565 52.037 -0.103 0.000 0.822 1190 A CB 0.420 19.310 19.000 -0.183 0.000 1.088 1190 A HN 0.594 nan 8.150 nan 0.000 0.495 1191 L N 0.556 121.736 121.223 -0.071 0.000 2.334 1191 L HA 0.569 4.902 4.340 -0.013 0.000 0.275 1191 L C 0.359 177.190 176.870 -0.065 0.000 1.036 1191 L CA 0.164 54.977 54.840 -0.045 0.000 0.807 1191 L CB 1.380 43.394 42.059 -0.075 0.000 1.231 1191 L HN 0.838 nan 8.230 nan 0.000 0.438 1192 K N 2.353 122.727 120.400 -0.042 0.000 2.439 1192 K HA 0.721 5.034 4.320 -0.013 0.000 0.260 1192 K C -1.435 175.136 176.600 -0.049 0.000 1.032 1192 K CA -0.910 55.343 56.287 -0.057 0.000 0.882 1192 K CB 2.141 34.615 32.500 -0.043 0.000 1.420 1192 K HN 0.273 nan 8.250 nan 0.000 0.455 1193 L N 1.195 122.372 121.223 -0.076 0.000 2.334 1193 L HA 0.469 4.802 4.340 -0.013 0.000 0.272 1193 L C -0.600 176.281 176.870 0.018 0.000 1.020 1193 L CA -0.713 54.096 54.840 -0.052 0.000 0.812 1193 L CB 1.842 43.760 42.059 -0.236 0.000 1.264 1193 L HN 0.573 nan 8.230 nan 0.000 0.439 1194 Q N 0.050 119.916 119.800 0.110 0.000 2.305 1194 Q HA 0.246 4.579 4.340 -0.013 0.000 0.271 1194 Q C 0.070 176.167 176.000 0.162 0.000 1.046 1194 Q CA -0.441 55.413 55.803 0.085 0.000 0.798 1194 Q CB 2.133 30.841 28.738 -0.051 0.000 1.286 1194 Q HN 0.768 nan 8.270 nan 0.000 0.435 1195 S N 2.560 118.343 115.700 0.138 0.000 2.436 1195 S HA 0.068 4.530 4.470 -0.013 0.000 0.228 1195 S C 0.474 175.031 174.600 -0.072 0.000 1.014 1195 S CA 0.226 58.415 58.200 -0.018 0.000 0.950 1195 S CB 0.021 63.204 63.200 -0.028 0.000 0.784 1195 S HN 0.588 nan 8.310 nan 0.000 0.504 1196 N N 2.620 121.293 118.700 -0.045 0.000 2.405 1196 N HA 0.349 5.082 4.740 -0.013 0.000 0.260 1196 N C -0.697 174.835 175.510 0.037 0.000 1.152 1196 N CA 0.128 53.166 53.050 -0.020 0.000 0.948 1196 N CB 0.604 39.070 38.487 -0.035 0.000 1.111 1196 N HN 0.442 nan 8.380 nan 0.000 0.485 1197 L N 1.168 122.425 121.223 0.056 0.000 2.399 1197 L HA 0.743 5.075 4.340 -0.013 0.000 0.266 1197 L C 1.208 178.221 176.870 0.239 0.000 1.114 1197 L CA -0.552 54.356 54.840 0.114 0.000 0.804 1197 L CB 1.139 43.170 42.059 -0.047 0.000 1.146 1197 L HN 0.547 nan 8.230 nan 0.000 0.451 1198 G N 1.270 110.232 108.800 0.270 0.000 2.368 1198 G HA2 -0.056 3.896 3.960 -0.013 0.000 0.302 1198 G HA3 -0.056 3.896 3.960 -0.013 0.000 0.302 1198 G C -1.606 173.261 174.900 -0.054 0.000 1.329 1198 G CA -0.951 44.185 45.100 0.059 0.000 0.935 1198 G HN 0.611 nan 8.290 nan 0.000 0.590 1199 N N 0.540 119.066 118.700 -0.291 0.000 2.402 1199 N HA 0.465 5.198 4.740 -0.013 0.000 0.252 1199 N C -1.395 173.829 175.510 -0.477 0.000 1.118 1199 N CA 0.182 53.078 53.050 -0.257 0.000 0.945 1199 N CB 0.516 38.887 38.487 -0.193 0.000 1.147 1199 N HN 0.361 nan 8.380 nan 0.000 0.495 1200 Y N -0.344 119.913 120.300 -0.072 0.000 2.361 1200 Y HA 0.288 4.834 4.550 -0.006 0.000 0.337 1200 Y C 1.387 177.171 175.900 -0.193 0.000 0.965 1200 Y CA -0.985 57.045 58.100 -0.115 0.000 1.091 1200 Y CB 1.809 40.191 38.460 -0.132 0.000 1.182 1200 Y HN 0.497 nan 8.280 nan 0.000 0.450 1201 G N 2.199 110.968 108.800 -0.050 0.000 2.469 1201 G HA2 -0.280 3.673 3.960 -0.013 0.000 0.220 1201 G HA3 -0.280 3.673 3.960 -0.013 0.000 0.220 1201 G C 1.409 176.010 174.900 -0.498 0.000 1.136 1201 G CA 0.914 45.947 45.100 -0.111 0.000 0.759 1201 G HN 0.803 nan 8.290 nan 0.000 0.562 1202 I N 0.842 120.847 120.570 -0.942 0.000 2.916 1202 I HA 0.058 4.220 4.170 -0.013 0.000 0.267 1202 I C 2.123 177.864 176.117 -0.627 0.000 1.263 1202 I CA 0.923 61.504 61.300 -1.198 0.000 1.471 1202 I CB 0.054 37.398 38.000 -1.093 0.000 1.089 1202 I HN 0.176 nan 8.210 nan 0.000 0.468 1203 G N 0.785 109.334 108.800 -0.418 0.000 3.324 1203 G HA2 0.233 4.186 3.960 -0.013 0.000 0.251 1203 G HA3 0.233 4.186 3.960 -0.013 0.000 0.251 1203 G C 0.458 175.124 174.900 -0.391 0.000 1.072 1203 G CA -0.248 44.675 45.100 -0.296 0.000 0.787 1203 G HN 0.123 nan 8.290 nan 0.000 0.537 1204 I N 1.488 121.771 120.570 -0.479 0.000 2.365 1204 I HA 0.516 4.678 4.170 -0.013 0.000 0.291 1204 I C -0.554 175.227 176.117 -0.559 0.000 1.004 1204 I CA -0.821 60.283 61.300 -0.326 0.000 1.311 1204 I CB 0.494 38.402 38.000 -0.154 0.000 1.401 1204 I HN -0.120 nan 8.210 nan 0.000 0.491 1205 F N 2.705 122.672 119.950 0.029 0.000 2.631 1205 F HA 0.538 5.059 4.527 -0.010 0.000 0.328 1205 F C 0.413 176.257 175.800 0.073 0.000 1.067 1205 F CA -0.778 57.249 58.000 0.045 0.000 0.969 1205 F CB 1.855 40.858 39.000 0.004 0.000 1.332 1205 F HN 0.322 nan 8.300 nan 0.000 0.490 1206 S N 0.972 116.876 115.700 0.339 0.000 2.536 1206 S HA 0.820 5.282 4.470 -0.013 0.000 0.287 1206 S C -1.242 173.527 174.600 0.283 0.000 1.101 1206 S CA -0.483 57.871 58.200 0.257 0.000 0.950 1206 S CB 0.777 64.117 63.200 0.234 0.000 1.056 1206 S HN 0.467 nan 8.310 nan 0.000 0.481 1207 I N 3.003 123.685 120.570 0.186 0.000 2.646 1207 I HA 0.574 4.736 4.170 -0.013 0.000 0.299 1207 I C -0.617 175.597 176.117 0.161 0.000 1.036 1207 I CA -0.845 60.547 61.300 0.153 0.000 1.074 1207 I CB 2.260 40.257 38.000 -0.005 0.000 1.258 1207 I HN 0.466 nan 8.210 nan 0.000 0.430 1208 K N 3.702 124.232 120.400 0.216 0.000 2.513 1208 K HA 0.375 4.687 4.320 -0.013 0.000 0.251 1208 K C -1.128 175.551 176.600 0.133 0.000 0.939 1208 K CA -0.959 55.434 56.287 0.176 0.000 0.793 1208 K CB 2.027 34.682 32.500 0.258 0.000 1.241 1208 K HN 0.443 nan 8.250 nan 0.000 0.431 1209 N N 1.987 120.725 118.700 0.063 0.000 2.416 1209 N HA 0.102 4.834 4.740 -0.013 0.000 0.246 1209 N C -0.294 175.230 175.510 0.023 0.000 1.260 1209 N CA 0.220 53.294 53.050 0.039 0.000 0.897 1209 N CB 0.550 39.047 38.487 0.018 0.000 1.110 1209 N HN 0.386 nan 8.380 nan 0.000 0.439 1210 I N 1.882 122.425 120.570 -0.046 0.000 2.353 1210 I HA 0.143 4.306 4.170 -0.013 0.000 0.293 1210 I C 0.081 176.133 176.117 -0.108 0.000 0.992 1210 I CA -0.674 60.539 61.300 -0.145 0.000 1.268 1210 I CB 1.353 39.071 38.000 -0.469 0.000 1.387 1210 I HN 0.074 nan 8.210 nan 0.000 0.478 1211 V N 6.210 126.086 119.914 -0.063 0.000 2.439 1211 V HA 0.316 4.429 4.120 -0.013 0.000 0.271 1211 V C 0.432 176.501 176.094 -0.041 0.000 1.040 1211 V CA 0.272 62.556 62.300 -0.027 0.000 1.002 1211 V CB 0.678 32.505 31.823 0.007 0.000 1.000 1211 V HN 0.856 nan 8.190 nan 0.000 0.477 1212 S N 4.152 119.832 115.700 -0.033 0.000 2.556 1212 S HA 0.417 4.880 4.470 -0.013 0.000 0.280 1212 S C -0.051 174.541 174.600 -0.014 0.000 1.141 1212 S CA -0.794 57.386 58.200 -0.033 0.000 0.883 1212 S CB 1.695 64.840 63.200 -0.091 0.000 1.103 1212 S HN 0.703 nan 8.310 nan 0.000 0.453 1213 K N 1.911 122.319 120.400 0.014 0.000 2.374 1213 K HA 0.270 4.582 4.320 -0.013 0.000 0.196 1213 K C 0.594 177.188 176.600 -0.010 0.000 1.023 1213 K CA -0.080 56.220 56.287 0.022 0.000 1.103 1213 K CB 0.124 32.620 32.500 -0.007 0.000 0.848 1213 K HN 0.454 nan 8.250 nan 0.000 0.528 1214 N N 0.850 119.550 118.700 -0.001 0.000 2.227 1214 N HA 0.070 4.803 4.740 -0.013 0.000 0.196 1214 N C -0.434 175.086 175.510 0.018 0.000 1.142 1214 N CA 0.375 53.477 53.050 0.086 0.000 0.887 1214 N CB 0.909 39.459 38.487 0.106 0.000 1.022 1214 N HN 0.052 nan 8.380 nan 0.000 0.500 1215 K N -0.061 120.265 120.400 -0.125 0.000 2.551 1215 K HA 0.319 4.632 4.320 -0.013 0.000 0.269 1215 K C -1.706 174.742 176.600 -0.254 0.000 0.949 1215 K CA -0.589 55.616 56.287 -0.136 0.000 0.849 1215 K CB 1.710 34.212 32.500 0.003 0.000 1.411 1215 K HN -0.167 nan 8.250 nan 0.000 0.432 1216 Y N 0.935 121.260 120.300 0.043 0.000 2.717 1216 Y HA 0.334 4.877 4.550 -0.013 0.000 0.329 1216 Y C -0.301 175.646 175.900 0.079 0.000 1.017 1216 Y CA -0.537 57.593 58.100 0.050 0.000 1.275 1216 Y CB 0.755 39.248 38.460 0.056 0.000 1.109 1216 Y HN 0.459 nan 8.280 nan 0.000 0.511 1217 C N 0.405 119.784 119.300 0.133 0.000 3.044 1217 C HA 0.866 5.319 4.460 -0.013 0.000 0.315 1217 C C -0.262 174.777 174.990 0.083 0.000 1.320 1217 C CA -0.730 58.351 59.018 0.105 0.000 1.582 1217 C CB 1.978 29.688 27.740 -0.051 0.000 2.039 1217 C HN 0.711 nan 8.230 nan 0.000 0.466 1218 S N -0.099 115.711 115.700 0.182 0.000 2.579 1218 S HA 0.537 4.999 4.470 -0.013 0.000 0.272 1218 S C -1.625 173.137 174.600 0.270 0.000 1.141 1218 S CA -0.592 57.727 58.200 0.198 0.000 0.843 1218 S CB 1.676 65.029 63.200 0.256 0.000 1.122 1218 S HN 0.764 nan 8.310 nan 0.000 0.468 1219 Q N 0.772 120.696 119.800 0.207 0.000 2.266 1219 Q HA 0.652 4.984 4.340 -0.013 0.000 0.261 1219 Q C -1.164 174.771 176.000 -0.108 0.000 0.985 1219 Q CA -0.523 55.338 55.803 0.097 0.000 0.873 1219 Q CB 1.778 30.531 28.738 0.025 0.000 1.306 1219 Q HN 0.536 nan 8.270 nan 0.000 0.447 1220 I N 2.243 122.602 120.570 -0.353 0.000 2.436 1220 I HA 0.437 4.599 4.170 -0.013 0.000 0.289 1220 I C -1.027 174.741 176.117 -0.581 0.000 1.010 1220 I CA -0.528 60.566 61.300 -0.344 0.000 1.098 1220 I CB 0.928 38.705 38.000 -0.372 0.000 1.266 1220 I HN 0.439 nan 8.210 nan 0.000 0.434 1221 F N 3.013 123.019 119.950 0.094 0.000 2.579 1221 F HA 0.646 5.165 4.527 -0.013 0.000 0.324 1221 F C 0.328 176.269 175.800 0.235 0.000 1.058 1221 F CA -0.867 57.194 58.000 0.100 0.000 0.944 1221 F CB 2.078 41.106 39.000 0.046 0.000 1.245 1221 F HN 0.294 nan 8.300 nan 0.000 0.477 1222 S N -0.240 115.690 115.700 0.384 0.000 2.547 1222 S HA 0.501 4.963 4.470 -0.013 0.000 0.281 1222 S C -0.276 174.442 174.600 0.198 0.000 1.118 1222 S CA -0.309 58.022 58.200 0.219 0.000 0.947 1222 S CB 1.283 64.569 63.200 0.144 0.000 1.053 1222 S HN 0.735 nan 8.310 nan 0.000 0.482 1223 S N 4.329 120.109 115.700 0.134 0.000 2.664 1223 S HA 0.259 4.722 4.470 -0.013 0.000 0.245 1223 S C 0.975 175.640 174.600 0.107 0.000 1.019 1223 S CA -0.590 57.683 58.200 0.121 0.000 0.996 1223 S CB -0.638 62.618 63.200 0.093 0.000 0.878 1223 S HN 0.724 nan 8.310 nan 0.000 0.493 1224 F N 3.071 122.978 119.950 -0.071 0.000 2.087 1224 F HA -0.192 4.325 4.527 -0.017 0.000 0.304 1224 F C 2.531 178.289 175.800 -0.070 0.000 1.293 1224 F CA 1.392 59.332 58.000 -0.099 0.000 1.225 1224 F CB 0.040 38.944 39.000 -0.160 0.000 0.929 1224 F HN 0.149 nan 8.300 nan 0.000 0.552 1225 R N -0.452 119.703 120.500 -0.576 0.000 2.189 1225 R HA 0.128 4.460 4.340 -0.013 0.000 0.203 1225 R C -0.513 175.663 176.300 -0.206 0.000 1.012 1225 R CA 0.579 56.346 56.100 -0.555 0.000 1.015 1225 R CB 0.196 30.110 30.300 -0.643 0.000 0.938 1225 R HN 0.371 nan 8.270 nan 0.000 0.472 1226 E N -0.325 119.824 120.200 -0.085 0.000 2.383 1226 E HA 0.225 4.567 4.350 -0.013 0.000 0.275 1226 E C -1.498 175.166 176.600 0.106 0.000 0.918 1226 E CA -0.781 55.632 56.400 0.022 0.000 0.764 1226 E CB 1.243 30.988 29.700 0.075 0.000 1.252 1226 E HN -0.082 nan 8.360 nan 0.000 0.449 1227 N N 0.854 119.643 118.700 0.149 0.000 2.452 1227 N HA 0.300 5.032 4.740 -0.013 0.000 0.266 1227 N C -0.929 174.846 175.510 0.441 0.000 1.175 1227 N CA 0.082 53.297 53.050 0.274 0.000 0.945 1227 N CB 0.637 39.277 38.487 0.255 0.000 1.063 1227 N HN 0.503 nan 8.380 nan 0.000 0.472 1228 T N -0.985 113.842 114.554 0.455 0.000 2.901 1228 T HA 0.672 5.014 4.350 -0.013 0.000 0.293 1228 T C -0.474 174.361 174.700 0.224 0.000 1.084 1228 T CA -1.024 61.338 62.100 0.436 0.000 1.008 1228 T CB 1.558 70.614 68.868 0.315 0.000 1.170 1228 T HN 0.366 nan 8.240 nan 0.000 0.509 1229 M N 1.867 121.467 119.600 0.001 0.000 2.457 1229 M HA 0.559 5.032 4.480 -0.013 0.000 0.300 1229 M C -1.862 174.377 176.300 -0.102 0.000 1.141 1229 M CA -1.087 54.014 55.300 -0.332 0.000 0.901 1229 M CB 1.823 33.966 32.600 -0.762 0.000 1.687 1229 M HN 0.662 nan 8.290 nan 0.000 0.449 1230 L N 5.089 126.240 121.223 -0.120 0.000 2.349 1230 L HA 0.521 4.854 4.340 -0.013 0.000 0.275 1230 L C -0.915 176.145 176.870 0.315 0.000 1.115 1230 L CA -0.317 54.554 54.840 0.052 0.000 0.820 1230 L CB 0.917 42.861 42.059 -0.191 0.000 1.135 1230 L HN 0.703 nan 8.230 nan 0.000 0.445 1231 L N 2.217 123.638 121.223 0.329 0.000 2.403 1231 L HA 0.814 5.146 4.340 -0.013 0.000 0.253 1231 L C -0.717 176.343 176.870 0.317 0.000 1.045 1231 L CA -0.680 54.321 54.840 0.268 0.000 0.845 1231 L CB 2.312 44.466 42.059 0.158 0.000 1.447 1231 L HN 0.649 nan 8.230 nan 0.000 0.411 1232 A N 0.716 123.640 122.820 0.173 0.000 2.356 1232 A HA 0.796 5.109 4.320 -0.013 0.000 0.310 1232 A C -1.442 176.280 177.584 0.229 0.000 1.075 1232 A CA -0.242 51.904 52.037 0.182 0.000 0.746 1232 A CB 1.591 20.622 19.000 0.053 0.000 1.221 1232 A HN 0.670 nan 8.150 nan 0.000 0.443 1233 D N 0.518 121.064 120.400 0.243 0.000 2.792 1233 D HA 0.292 4.925 4.640 -0.013 0.000 0.335 1233 D C -1.485 174.852 176.300 0.062 0.000 1.353 1233 D CA -0.368 53.745 54.000 0.188 0.000 0.839 1233 D CB 1.236 42.096 40.800 0.099 0.000 1.396 1233 D HN 0.465 nan 8.370 nan 0.000 0.479 1234 I N 1.893 122.354 120.570 -0.183 0.000 2.395 1234 I HA 0.434 4.596 4.170 -0.013 0.000 0.289 1234 I C -1.186 174.613 176.117 -0.530 0.000 1.023 1234 I CA 0.377 61.494 61.300 -0.305 0.000 1.350 1234 I CB -0.093 37.723 38.000 -0.307 0.000 1.409 1234 I HN 0.307 nan 8.210 nan 0.000 0.507 1235 Y N 4.681 124.912 120.300 -0.114 0.000 2.744 1235 Y HA 0.469 5.012 4.550 -0.012 0.000 0.330 1235 Y C -0.514 175.340 175.900 -0.077 0.000 1.263 1235 Y CA -1.097 56.952 58.100 -0.084 0.000 1.065 1235 Y CB 1.332 39.731 38.460 -0.102 0.000 1.306 1235 Y HN 0.243 nan 8.280 nan 0.000 0.459 1236 K N 2.450 122.950 120.400 0.167 0.000 2.682 1236 K HA 0.244 4.556 4.320 -0.013 0.000 0.189 1236 K C -2.327 174.288 176.600 0.024 0.000 1.062 1236 K CA -1.431 54.939 56.287 0.139 0.000 0.997 1236 K CB 1.020 33.644 32.500 0.206 0.000 1.405 1236 K HN 0.283 nan 8.250 nan 0.000 0.588 1237 P HA -0.157 nan 4.420 nan 0.000 0.222 1237 P C -0.246 176.809 177.300 -0.408 0.000 1.147 1237 P CA 0.793 63.627 63.100 -0.443 0.000 0.790 1237 P CB 0.255 31.503 31.700 -0.752 0.000 0.780 1238 W N 0.635 121.945 121.300 0.017 0.000 2.253 1238 W HA 0.261 4.913 4.660 -0.013 0.000 0.348 1238 W C 1.790 178.297 176.519 -0.020 0.000 1.229 1238 W CA -0.528 56.826 57.345 0.015 0.000 1.335 1238 W CB 0.442 29.916 29.460 0.023 0.000 1.165 1238 W HN -0.079 nan 8.180 nan 0.000 0.631 1239 R N 0.255 120.890 120.500 0.225 0.000 2.128 1239 R HA 0.055 4.388 4.340 -0.013 0.000 0.211 1239 R C 0.807 176.913 176.300 -0.323 0.000 1.067 1239 R CA 0.834 56.892 56.100 -0.070 0.000 1.010 1239 R CB -0.089 30.127 30.300 -0.140 0.000 0.922 1239 R HN 0.209 nan 8.270 nan 0.000 0.457 1240 F N 0.522 120.468 119.950 -0.006 0.000 2.983 1240 F HA 0.371 4.890 4.527 -0.013 0.000 0.307 1240 F C 0.023 175.718 175.800 -0.175 0.000 1.218 1240 F CA -0.309 57.629 58.000 -0.104 0.000 1.323 1240 F CB 0.780 39.742 39.000 -0.064 0.000 0.989 1240 F HN -0.185 nan 8.300 nan 0.000 0.509 1241 S N -0.908 114.719 115.700 -0.121 0.000 2.552 1241 S HA 0.459 4.922 4.470 -0.013 0.000 0.272 1241 S C -0.578 173.908 174.600 -0.189 0.000 1.150 1241 S CA -0.426 57.680 58.200 -0.157 0.000 0.849 1241 S CB 0.415 63.583 63.200 -0.053 0.000 1.113 1241 S HN 0.034 nan 8.310 nan 0.000 0.458 1242 F N 1.855 121.870 119.950 0.109 0.000 2.653 1242 F HA 0.442 4.961 4.527 -0.012 0.000 0.304 1242 F C 1.132 177.006 175.800 0.124 0.000 1.092 1242 F CA -0.332 57.731 58.000 0.104 0.000 1.279 1242 F CB 0.217 39.249 39.000 0.054 0.000 1.044 1242 F HN 0.446 nan 8.300 nan 0.000 0.564 1243 K N 1.738 122.306 120.400 0.280 0.000 2.485 1243 K HA 0.009 4.321 4.320 -0.013 0.000 0.277 1243 K C 0.242 177.049 176.600 0.345 0.000 0.990 1243 K CA -0.002 56.431 56.287 0.243 0.000 0.994 1243 K CB 0.375 32.925 32.500 0.083 0.000 0.906 1243 K HN 0.088 nan 8.250 nan 0.000 0.488 1244 N N 1.055 119.881 118.700 0.209 0.000 2.476 1244 N HA 0.558 5.290 4.740 -0.013 0.000 0.275 1244 N C -1.057 174.527 175.510 0.123 0.000 1.190 1244 N CA -0.314 52.805 53.050 0.115 0.000 0.977 1244 N CB 1.681 40.159 38.487 -0.015 0.000 1.200 1244 N HN 0.670 nan 8.380 nan 0.000 0.515 1245 A N 0.501 123.299 122.820 -0.036 0.000 2.586 1245 A HA 0.333 4.645 4.320 -0.013 0.000 0.296 1245 A C -1.985 175.484 177.584 -0.193 0.000 1.040 1245 A CA -0.714 51.280 52.037 -0.072 0.000 0.701 1245 A CB 0.194 19.248 19.000 0.090 0.000 1.277 1245 A HN 0.558 nan 8.150 nan 0.000 0.413 1246 Y N 1.365 121.607 120.300 -0.097 0.000 2.531 1246 Y HA 0.472 5.014 4.550 -0.013 0.000 0.347 1246 Y C 1.277 177.067 175.900 -0.184 0.000 1.024 1246 Y CA 1.276 59.233 58.100 -0.238 0.000 1.306 1246 Y CB 1.287 39.464 38.460 -0.471 0.000 1.149 1246 Y HN 0.717 nan 8.280 nan 0.000 0.527 1247 T N 5.232 119.805 114.554 0.031 0.000 2.886 1247 T HA 0.460 4.802 4.350 -0.013 0.000 0.292 1247 T C -3.145 171.589 174.700 0.056 0.000 1.012 1247 T CA -2.775 59.323 62.100 -0.003 0.000 0.982 1247 T CB 1.875 70.678 68.868 -0.108 0.000 1.018 1247 T HN 0.246 nan 8.240 nan 0.000 0.451 1248 P HA 0.394 nan 4.420 nan 0.000 0.282 1248 P C -0.561 176.745 177.300 0.010 0.000 1.262 1248 P CA -0.318 62.871 63.100 0.148 0.000 0.773 1248 P CB 1.038 32.814 31.700 0.128 0.000 0.879 1249 V N 0.221 120.152 119.914 0.028 0.000 3.040 1249 V HA 0.902 5.014 4.120 -0.013 0.000 0.312 1249 V C -0.571 175.537 176.094 0.022 0.000 1.115 1249 V CA -1.594 60.666 62.300 -0.066 0.000 0.998 1249 V CB 1.799 33.444 31.823 -0.297 0.000 1.042 1249 V HN 0.572 nan 8.190 nan 0.000 0.433 1250 A N 2.752 125.612 122.820 0.067 0.000 2.249 1250 A HA 0.818 5.131 4.320 -0.013 0.000 0.314 1250 A C -0.131 177.574 177.584 0.201 0.000 1.290 1250 A CA -0.155 51.974 52.037 0.154 0.000 0.893 1250 A CB 0.677 19.808 19.000 0.218 0.000 1.165 1250 A HN 2.171 nan 8.150 nan 0.000 0.530 1251 V N 1.436 121.463 119.914 0.187 0.000 2.667 1251 V HA 0.889 5.002 4.120 -0.013 0.000 0.308 1251 V C 0.239 176.525 176.094 0.320 0.000 1.048 1251 V CA -0.035 62.383 62.300 0.197 0.000 0.928 1251 V CB 1.179 33.098 31.823 0.160 0.000 1.004 1251 V HN 1.006 nan 8.190 nan 0.000 0.444 1252 T N 0.765 115.473 114.554 0.256 0.000 2.862 1252 T HA 0.397 4.739 4.350 -0.013 0.000 0.276 1252 T C 0.273 175.070 174.700 0.160 0.000 0.974 1252 T CA -0.229 62.020 62.100 0.249 0.000 0.966 1252 T CB 0.321 69.290 68.868 0.168 0.000 1.072 1252 T HN 1.104 nan 8.240 nan 0.000 0.538 1253 N N 0.945 119.650 118.700 0.008 0.000 2.669 1253 N HA -0.189 4.544 4.740 -0.013 0.000 0.266 1253 N C -0.146 175.357 175.510 -0.012 0.000 1.024 1253 N CA 0.909 53.909 53.050 -0.083 0.000 0.766 1253 N CB -1.334 37.144 38.487 -0.015 0.000 0.898 1253 N HN 0.916 nan 8.380 nan 0.000 0.548 1254 Y N -1.815 118.556 120.300 0.119 0.000 2.468 1254 Y HA 0.339 4.881 4.550 -0.013 0.000 0.268 1254 Y C 1.507 177.483 175.900 0.128 0.000 1.177 1254 Y CA -0.584 57.594 58.100 0.131 0.000 1.265 1254 Y CB -0.210 38.357 38.460 0.178 0.000 1.103 1254 Y HN 0.129 nan 8.280 nan 0.000 0.522 1255 E N 1.075 121.261 120.200 -0.023 0.000 2.114 1255 E HA -0.217 4.125 4.350 -0.013 0.000 0.199 1255 E C 1.682 178.353 176.600 0.118 0.000 1.008 1255 E CA 2.187 58.613 56.400 0.044 0.000 0.810 1255 E CB -0.211 29.464 29.700 -0.042 0.000 0.739 1255 E HN 0.653 nan 8.360 nan 0.000 0.456 1256 T N -1.783 112.830 114.554 0.098 0.000 3.129 1256 T HA 0.137 4.480 4.350 -0.013 0.000 0.251 1256 T C 1.441 176.204 174.700 0.105 0.000 1.117 1256 T CA 0.255 62.407 62.100 0.087 0.000 1.034 1256 T CB 0.231 69.134 68.868 0.058 0.000 0.968 1256 T HN -0.149 nan 8.240 nan 0.000 0.526 1257 K N 0.119 120.617 120.400 0.164 0.000 2.355 1257 K HA 0.444 4.756 4.320 -0.013 0.000 0.198 1257 K C 1.552 178.245 176.600 0.155 0.000 1.039 1257 K CA -0.242 56.131 56.287 0.144 0.000 1.075 1257 K CB -0.174 32.434 32.500 0.180 0.000 0.870 1257 K HN 0.147 nan 8.250 nan 0.000 0.540 1258 L N 0.436 121.796 121.223 0.227 0.000 2.189 1258 L HA -0.138 4.195 4.340 -0.013 0.000 0.214 1258 L C 1.343 178.358 176.870 0.242 0.000 1.097 1258 L CA 1.692 56.691 54.840 0.265 0.000 0.764 1258 L CB -0.638 41.587 42.059 0.277 0.000 0.900 1258 L HN 0.253 nan 8.230 nan 0.000 0.436 1259 L N -1.644 119.668 121.223 0.147 0.000 2.640 1259 L HA 0.106 4.439 4.340 -0.013 0.000 0.230 1259 L C 1.162 177.985 176.870 -0.079 0.000 1.123 1259 L CA -0.154 54.766 54.840 0.133 0.000 0.900 1259 L CB 0.321 42.446 42.059 0.110 0.000 1.146 1259 L HN 0.058 nan 8.230 nan 0.000 0.484 1260 S N 0.058 115.657 115.700 -0.169 0.000 2.533 1260 S HA -0.005 4.457 4.470 -0.013 0.000 0.282 1260 S C 1.580 175.700 174.600 -0.800 0.000 1.304 1260 S CA 0.038 58.046 58.200 -0.319 0.000 1.063 1260 S CB 0.903 63.994 63.200 -0.181 0.000 0.881 1260 S HN 0.438 nan 8.310 nan 0.000 0.493 1261 T N 1.552 115.643 114.554 -0.771 0.000 3.007 1261 T HA -0.094 4.248 4.350 -0.013 0.000 0.270 1261 T C 1.778 176.026 174.700 -0.754 0.000 1.107 1261 T CA 1.062 62.535 62.100 -1.044 0.000 1.118 1261 T CB -0.596 67.997 68.868 -0.459 0.000 0.889 1261 T HN 0.696 nan 8.240 nan 0.000 0.506 1262 S N 1.772 117.169 115.700 -0.505 0.000 2.555 1262 S HA -0.012 4.451 4.470 -0.013 0.000 0.230 1262 S C 1.924 176.294 174.600 -0.382 0.000 0.978 1262 S CA 0.555 58.546 58.200 -0.348 0.000 0.934 1262 S CB -0.636 62.475 63.200 -0.149 0.000 0.766 1262 S HN 0.711 nan 8.310 nan 0.000 0.533 1263 S N -0.187 115.260 115.700 -0.421 0.000 2.540 1263 S HA 0.406 4.869 4.470 -0.013 0.000 0.218 1263 S C -0.243 174.324 174.600 -0.055 0.000 0.977 1263 S CA -0.791 57.297 58.200 -0.188 0.000 0.918 1263 S CB -0.397 62.775 63.200 -0.047 0.000 0.806 1263 S HN 0.280 nan 8.310 nan 0.000 0.496 1264 F N 2.066 121.781 119.950 -0.391 0.000 2.405 1264 F HA 0.609 5.128 4.527 -0.013 0.000 0.355 1264 F C -0.309 175.178 175.800 -0.521 0.000 1.121 1264 F CA -2.410 55.420 58.000 -0.283 0.000 1.112 1264 F CB -0.102 38.807 39.000 -0.151 0.000 1.126 1264 F HN 0.199 nan 8.300 nan 0.000 0.481 1265 W N 2.779 124.150 121.300 0.117 0.000 2.666 1265 W HA 0.652 5.305 4.660 -0.011 0.000 0.334 1265 W C -0.534 175.923 176.519 -0.103 0.000 1.051 1265 W CA -0.815 56.485 57.345 -0.076 0.000 1.224 1265 W CB 1.581 30.906 29.460 -0.226 0.000 1.405 1265 W HN 0.256 nan 8.180 nan 0.000 0.513 1266 K N 1.937 122.335 120.400 -0.003 0.000 2.270 1266 K HA 0.568 4.881 4.320 -0.013 0.000 0.255 1266 K C -1.432 175.034 176.600 -0.223 0.000 0.936 1266 K CA -0.949 55.350 56.287 0.020 0.000 0.809 1266 K CB 1.648 34.172 32.500 0.040 0.000 1.131 1266 K HN 0.195 nan 8.250 nan 0.000 0.427 1267 F N 3.224 123.198 119.950 0.039 0.000 2.325 1267 F HA 0.383 4.903 4.527 -0.013 0.000 0.369 1267 F C 0.088 175.973 175.800 0.142 0.000 1.095 1267 F CA -0.740 57.253 58.000 -0.012 0.000 1.082 1267 F CB 0.456 39.215 39.000 -0.402 0.000 1.289 1267 F HN 0.211 nan 8.300 nan 0.000 0.462 1268 I N 3.478 124.235 120.570 0.311 0.000 2.301 1268 I HA 0.215 4.378 4.170 -0.013 0.000 0.292 1268 I C 0.335 176.832 176.117 0.633 0.000 1.046 1268 I CA -0.255 61.247 61.300 0.336 0.000 1.282 1268 I CB 0.628 38.729 38.000 0.168 0.000 1.409 1268 I HN 0.546 nan 8.210 nan 0.000 0.484 1269 S N 6.573 122.700 115.700 0.712 0.000 2.651 1269 S HA 0.491 4.954 4.470 -0.013 0.000 0.291 1269 S C 0.116 175.016 174.600 0.501 0.000 1.141 1269 S CA -1.098 57.391 58.200 0.483 0.000 1.027 1269 S CB 1.704 65.136 63.200 0.388 0.000 1.043 1269 S HN 0.452 nan 8.310 nan 0.000 0.530 1270 R N 1.986 122.529 120.500 0.072 0.000 2.357 1270 R HA 0.193 4.526 4.340 -0.013 0.000 0.330 1270 R C -0.807 175.525 176.300 0.053 0.000 1.102 1270 R CA 0.142 56.124 56.100 -0.197 0.000 0.974 1270 R CB -0.576 29.549 30.300 -0.291 0.000 1.002 1270 R HN 0.752 nan 8.270 nan 0.000 0.463 1271 D N 2.904 123.418 120.400 0.190 0.000 2.163 1271 D HA 0.223 4.856 4.640 -0.013 0.000 0.248 1271 D C -1.225 175.101 176.300 0.044 0.000 1.035 1271 D CA -1.935 52.050 54.000 -0.024 0.000 0.872 1271 D CB 1.591 42.070 40.800 -0.535 0.000 1.183 1271 D HN 0.156 nan 8.370 nan 0.000 0.445 1272 P HA -0.005 nan 4.420 nan 0.000 0.228 1272 P C 0.928 178.350 177.300 0.203 0.000 1.151 1272 P CA 0.491 63.685 63.100 0.157 0.000 0.770 1272 P CB 0.247 32.072 31.700 0.209 0.000 0.786 1273 G N -2.227 106.688 108.800 0.192 0.000 2.985 1273 G HA2 -0.050 3.902 3.960 -0.013 0.000 0.209 1273 G HA3 -0.050 3.902 3.960 -0.013 0.000 0.209 1273 G C -0.283 174.679 174.900 0.103 0.000 1.165 1273 G CA -0.148 45.080 45.100 0.214 0.000 0.776 1273 G HN 0.255 nan 8.290 nan 0.000 0.541 1274 W N 1.203 122.442 121.300 -0.101 0.000 2.642 1274 W HA 0.524 5.177 4.660 -0.012 0.000 0.304 1274 W C -1.798 174.811 176.519 0.150 0.000 1.023 1274 W CA -0.919 56.410 57.345 -0.027 0.000 1.290 1274 W CB 1.073 30.437 29.460 -0.158 0.000 1.190 1274 W HN -0.225 nan 8.180 nan 0.000 0.374 1275 V N 5.743 125.702 119.914 0.073 0.000 2.630 1275 V HA 0.587 4.699 4.120 -0.013 0.000 0.305 1275 V C -0.080 176.060 176.094 0.076 0.000 1.046 1275 V CA -0.187 62.215 62.300 0.170 0.000 0.934 1275 V CB 2.016 33.888 31.823 0.081 0.000 1.003 1275 V HN 0.500 nan 8.190 nan 0.000 0.451 1276 E N 0.000 120.321 120.200 0.202 0.000 2.725 1276 E HA 0.000 4.342 4.350 -0.013 0.000 0.291 1276 E CA 0.000 56.484 56.400 0.141 0.000 0.976 1276 E CB 0.000 29.799 29.700 0.165 0.000 0.812 1276 E HN 0.000 nan 8.360 nan 0.000 0.440