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 3fuo_1_A DATA FIRST_RESID 875 DATA SEQUENCE TSILNLRYES NHLIDLSRYA SKINIGSKVN FDPIDKNQIQ LFNLESSKIE DATA SEQUENCE VILKNAIVYN SMYENFSTSF WIRIPKYFNS ISLNNEYTII NCMENNSGWK DATA SEQUENCE VSLNYGEIIW TLQDTQEIKQ RVVFKYSQMI NISDYINRWI FVTITNNRLN DATA SEQUENCE NSKIYINGRL IDQKPISNLG NIHASNNIMF KLDGCRDTHR YIWIKYFNLF DATA SEQUENCE DKELNEKEIK DLYDNQSNSG ILKDFWGDYL QYDKPYYMLN LYDPNKYVDV DATA SEQUENCE NNVGIRGYMY LKGPRGSVMT TNIYLNSSLY RGTKFIIKKY ASGNKDNIVR DATA SEQUENCE NNDRVYINVV VKNKEYRLAT NASQAGVEKI LSALEIPDVG NLSQVVVMKS DATA SEQUENCE KNXXXITNKC KMNLQDNNGN DIGFIGFHQF NNIAKLVASN WYNRQIERSS DATA SEQUENCE XXLGCSWEFI PVDDGWGERP L 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 875 T HA 0.000 nan 4.350 nan 0.000 0.228 875 T C 0.000 174.798 174.700 0.163 0.000 1.109 875 T CA 0.000 62.186 62.100 0.144 0.000 1.349 875 T CB 0.000 68.973 68.868 0.176 0.000 0.612 876 S N 2.156 117.889 115.700 0.054 0.000 2.592 876 S HA 0.503 4.971 4.470 -0.003 0.000 0.271 876 S C 1.402 175.988 174.600 -0.024 0.000 1.326 876 S CA -0.775 57.298 58.200 -0.212 0.000 1.024 876 S CB 0.394 63.211 63.200 -0.638 0.000 0.921 876 S HN 0.519 nan 8.310 nan 0.000 0.527 877 I N -0.900 119.669 120.570 -0.002 0.000 3.728 877 I HA 0.468 4.636 4.170 -0.003 0.000 0.307 877 I C 0.113 176.328 176.117 0.163 0.000 1.276 877 I CA 0.051 61.455 61.300 0.173 0.000 1.285 877 I CB -0.099 37.971 38.000 0.117 0.000 1.038 877 I HN 0.498 nan 8.210 nan 0.000 0.445 878 L N 1.855 123.115 121.223 0.060 0.000 2.528 878 L HA 0.459 4.797 4.340 -0.003 0.000 0.267 878 L C -1.632 175.281 176.870 0.072 0.000 0.961 878 L CA -0.355 54.569 54.840 0.140 0.000 0.866 878 L CB 1.788 43.997 42.059 0.250 0.000 1.248 878 L HN 0.156 nan 8.230 nan 0.000 0.404 879 N N 5.942 124.716 118.700 0.122 0.000 2.762 879 N HA 0.321 5.059 4.740 -0.003 0.000 0.252 879 N C -1.206 174.411 175.510 0.178 0.000 1.269 879 N CA -0.555 52.561 53.050 0.109 0.000 0.799 879 N CB 0.894 39.419 38.487 0.064 0.000 1.173 879 N HN 0.594 nan 8.380 nan 0.000 0.516 880 L N 3.402 124.783 121.223 0.263 0.000 2.456 880 L HA 0.288 4.626 4.340 -0.003 0.000 0.277 880 L C -0.012 177.017 176.870 0.265 0.000 1.124 880 L CA 0.231 55.228 54.840 0.261 0.000 0.880 880 L CB -0.008 42.229 42.059 0.296 0.000 1.192 880 L HN 0.380 nan 8.230 nan 0.000 0.463 881 R N 3.390 124.020 120.500 0.217 0.000 2.668 881 R HA 0.211 4.549 4.340 -0.003 0.000 0.272 881 R C -1.311 175.116 176.300 0.212 0.000 1.019 881 R CA -0.896 55.352 56.100 0.246 0.000 0.894 881 R CB 1.661 32.080 30.300 0.198 0.000 1.228 881 R HN 0.306 nan 8.270 nan 0.000 0.460 882 Y N 1.699 122.089 120.300 0.151 0.000 2.539 882 Y HA 0.068 4.616 4.550 -0.004 0.000 0.352 882 Y C 0.868 176.811 175.900 0.072 0.000 1.004 882 Y CA 0.454 58.609 58.100 0.093 0.000 1.278 882 Y CB 0.460 38.969 38.460 0.081 0.000 1.136 882 Y HN 0.597 nan 8.280 nan 0.000 0.528 883 E N 1.594 121.726 120.200 -0.112 0.000 3.884 883 E HA 0.204 4.552 4.350 -0.003 0.000 0.434 883 E C 1.436 178.012 176.600 -0.041 0.000 0.672 883 E CA 0.670 57.056 56.400 -0.022 0.000 2.669 883 E CB 0.273 29.959 29.700 -0.023 0.000 2.107 883 E HN 0.668 nan 8.360 nan 0.000 0.613 884 S N 0.379 116.065 115.700 -0.024 0.000 2.433 884 S HA -0.231 4.237 4.470 -0.003 0.000 0.270 884 S C 0.631 175.201 174.600 -0.050 0.000 1.068 884 S CA 2.091 60.284 58.200 -0.012 0.000 1.375 884 S CB -0.483 62.720 63.200 0.006 0.000 1.255 884 S HN 0.464 nan 8.310 nan 0.000 0.442 885 N N 0.416 118.976 118.700 -0.233 0.000 2.475 885 N HA 0.212 4.950 4.740 -0.003 0.000 0.272 885 N C -1.146 173.802 175.510 -0.937 0.000 1.482 885 N CA -0.032 52.803 53.050 -0.358 0.000 0.863 885 N CB 0.699 39.002 38.487 -0.307 0.000 1.400 885 N HN 0.422 nan 8.380 nan 0.000 0.489 886 H N 0.092 118.686 119.070 -0.792 0.000 2.930 886 H HA 0.272 4.826 4.556 -0.004 0.000 0.371 886 H C -0.700 174.100 175.328 -0.880 0.000 1.169 886 H CA -0.485 55.130 56.048 -0.722 0.000 1.157 886 H CB 2.627 32.201 29.762 -0.313 0.000 1.789 886 H HN -0.050 nan 8.280 nan 0.000 0.547 887 L N 4.599 125.584 121.223 -0.397 0.000 2.283 887 L HA 0.374 4.712 4.340 -0.003 0.000 0.287 887 L C -0.124 176.739 176.870 -0.012 0.000 1.073 887 L CA -0.262 54.512 54.840 -0.110 0.000 0.822 887 L CB -0.315 41.840 42.059 0.161 0.000 1.186 887 L HN 0.519 nan 8.230 nan 0.000 0.436 888 I N 0.482 121.059 120.570 0.011 0.000 3.264 888 I HA 0.542 4.710 4.170 -0.003 0.000 0.315 888 I C -1.263 174.905 176.117 0.084 0.000 1.154 888 I CA -1.061 60.261 61.300 0.037 0.000 0.962 888 I CB 2.212 40.216 38.000 0.006 0.000 1.265 888 I HN 0.314 nan 8.210 nan 0.000 0.463 889 D N 1.885 122.340 120.400 0.091 0.000 2.317 889 D HA 0.383 5.021 4.640 -0.003 0.000 0.234 889 D C 0.311 176.667 176.300 0.094 0.000 1.112 889 D CA -0.328 53.744 54.000 0.120 0.000 0.840 889 D CB 1.394 42.281 40.800 0.145 0.000 1.078 889 D HN 0.659 nan 8.370 nan 0.000 0.486 890 L N 2.411 123.689 121.223 0.091 0.000 2.492 890 L HA 0.041 4.379 4.340 -0.003 0.000 0.223 890 L C 1.307 178.210 176.870 0.056 0.000 1.132 890 L CA 0.005 54.883 54.840 0.064 0.000 0.850 890 L CB -0.468 41.627 42.059 0.059 0.000 0.966 890 L HN 0.401 nan 8.230 nan 0.000 0.454 891 S N 0.379 116.128 115.700 0.082 0.000 2.596 891 S HA 0.001 4.469 4.470 -0.003 0.000 0.260 891 S C 1.451 176.065 174.600 0.023 0.000 1.336 891 S CA -0.510 57.737 58.200 0.078 0.000 0.993 891 S CB 0.712 64.016 63.200 0.173 0.000 0.923 891 S HN 0.420 nan 8.310 nan 0.000 0.567 892 R N -0.140 120.306 120.500 -0.089 0.000 2.241 892 R HA -0.111 4.227 4.340 -0.003 0.000 0.224 892 R C 1.037 177.170 176.300 -0.278 0.000 1.101 892 R CA 1.554 57.521 56.100 -0.222 0.000 0.995 892 R CB -0.812 29.277 30.300 -0.351 0.000 0.870 892 R HN 0.751 nan 8.270 nan 0.000 0.463 893 Y N 0.897 121.223 120.300 0.043 0.000 2.420 893 Y HA 0.284 4.832 4.550 -0.003 0.000 0.292 893 Y C 1.514 177.441 175.900 0.046 0.000 1.119 893 Y CA 0.301 58.429 58.100 0.047 0.000 1.229 893 Y CB 0.010 38.506 38.460 0.060 0.000 1.026 893 Y HN 0.239 nan 8.280 nan 0.000 0.554 894 A N 0.717 123.638 122.820 0.168 0.000 2.560 894 A HA -0.227 4.091 4.320 -0.003 0.000 0.299 894 A C 0.657 178.316 177.584 0.125 0.000 1.484 894 A CA 0.567 52.673 52.037 0.114 0.000 0.749 894 A CB -2.164 16.873 19.000 0.062 0.000 1.072 894 A HN 0.237 nan 8.150 nan 0.000 0.426 895 S N 0.305 116.102 115.700 0.160 0.000 2.558 895 S HA 0.224 4.692 4.470 -0.003 0.000 0.288 895 S C 0.621 175.283 174.600 0.103 0.000 1.318 895 S CA 0.258 58.538 58.200 0.134 0.000 1.056 895 S CB 0.759 64.046 63.200 0.145 0.000 0.853 895 S HN 0.733 nan 8.310 nan 0.000 0.505 896 K N 1.928 122.377 120.400 0.081 0.000 2.401 896 K HA 0.131 4.449 4.320 -0.003 0.000 0.278 896 K C -1.087 175.557 176.600 0.073 0.000 1.018 896 K CA -0.017 56.307 56.287 0.062 0.000 0.981 896 K CB 0.133 32.662 32.500 0.048 0.000 0.933 896 K HN 0.365 nan 8.250 nan 0.000 0.477 897 I N 3.975 124.584 120.570 0.064 0.000 2.406 897 I HA 0.206 4.373 4.170 -0.003 0.000 0.290 897 I C -0.612 175.549 176.117 0.073 0.000 0.999 897 I CA -0.569 60.779 61.300 0.080 0.000 1.124 897 I CB 1.681 39.732 38.000 0.085 0.000 1.289 897 I HN 0.490 nan 8.210 nan 0.000 0.441 898 N N 7.298 126.049 118.700 0.084 0.000 2.446 898 N HA 0.530 5.268 4.740 -0.003 0.000 0.265 898 N C -0.816 174.757 175.510 0.104 0.000 0.975 898 N CA -0.354 52.744 53.050 0.080 0.000 0.928 898 N CB 2.129 40.654 38.487 0.065 0.000 1.160 898 N HN 0.439 nan 8.380 nan 0.000 0.495 899 I N 0.895 121.538 120.570 0.123 0.000 2.336 899 I HA 0.318 4.486 4.170 -0.003 0.000 0.292 899 I C 1.372 177.570 176.117 0.136 0.000 0.991 899 I CA -0.787 60.610 61.300 0.162 0.000 1.227 899 I CB 1.400 39.550 38.000 0.250 0.000 1.366 899 I HN 0.357 nan 8.210 nan 0.000 0.466 900 G N 2.677 111.547 108.800 0.117 0.000 2.667 900 G HA2 0.126 4.084 3.960 -0.003 0.000 0.250 900 G HA3 0.126 4.084 3.960 -0.003 0.000 0.250 900 G C 0.964 175.929 174.900 0.109 0.000 1.212 900 G CA -0.058 45.099 45.100 0.094 0.000 0.874 900 G HN 0.742 nan 8.290 nan 0.000 0.561 901 S N -0.872 114.880 115.700 0.087 0.000 2.522 901 S HA 0.084 4.551 4.470 -0.003 0.000 0.227 901 S C 1.195 175.848 174.600 0.088 0.000 0.986 901 S CA 0.553 58.806 58.200 0.088 0.000 0.929 901 S CB 0.183 63.420 63.200 0.062 0.000 0.769 901 S HN 0.329 nan 8.310 nan 0.000 0.529 902 K N 1.938 122.389 120.400 0.085 0.000 2.832 902 K HA 0.433 4.751 4.320 -0.003 0.000 0.211 902 K C -0.935 175.750 176.600 0.141 0.000 1.112 902 K CA -0.127 56.216 56.287 0.095 0.000 1.108 902 K CB 0.919 33.460 32.500 0.067 0.000 0.899 902 K HN 0.245 nan 8.250 nan 0.000 0.464 903 V N 1.542 121.508 119.914 0.086 0.000 2.427 903 V HA 0.236 4.354 4.120 -0.003 0.000 0.286 903 V C -0.045 175.983 176.094 -0.110 0.000 1.034 903 V CA -1.001 61.257 62.300 -0.070 0.000 0.893 903 V CB 1.629 33.372 31.823 -0.134 0.000 0.982 903 V HN 0.280 nan 8.190 nan 0.000 0.452 904 N N 3.227 121.767 118.700 -0.267 0.000 2.400 904 N HA 0.559 5.297 4.740 -0.003 0.000 0.288 904 N C -1.436 173.865 175.510 -0.348 0.000 1.024 904 N CA -0.365 52.595 53.050 -0.149 0.000 0.894 904 N CB 1.017 39.492 38.487 -0.020 0.000 1.173 904 N HN 0.371 nan 8.380 nan 0.000 0.487 905 F N 1.030 121.021 119.950 0.069 0.000 2.444 905 F HA 0.246 4.772 4.527 -0.003 0.000 0.342 905 F C 0.506 176.382 175.800 0.127 0.000 1.121 905 F CA -0.984 57.061 58.000 0.076 0.000 0.997 905 F CB 1.109 40.065 39.000 -0.073 0.000 1.130 905 F HN 0.374 nan 8.300 nan 0.000 0.454 906 D N 6.241 126.869 120.400 0.380 0.000 2.451 906 D HA -0.006 4.632 4.640 -0.003 0.000 0.254 906 D C -1.288 175.075 176.300 0.104 0.000 1.204 906 D CA -1.531 52.606 54.000 0.228 0.000 0.896 906 D CB 1.196 42.024 40.800 0.045 0.000 1.136 906 D HN 0.216 nan 8.370 nan 0.000 0.499 907 P HA -0.206 nan 4.420 nan 0.000 0.217 907 P C 1.655 178.974 177.300 0.031 0.000 1.148 907 P CA 0.543 63.672 63.100 0.048 0.000 0.828 907 P CB 0.355 32.092 31.700 0.062 0.000 0.783 908 I N -0.409 120.185 120.570 0.039 0.000 2.546 908 I HA 0.012 4.180 4.170 -0.003 0.000 0.255 908 I C 0.180 176.342 176.117 0.075 0.000 1.163 908 I CA 1.287 62.625 61.300 0.064 0.000 1.457 908 I CB -0.350 37.700 38.000 0.083 0.000 1.092 908 I HN -0.201 nan 8.210 nan 0.000 0.434 909 D N -0.046 120.362 120.400 0.012 0.000 2.351 909 D HA 0.109 4.747 4.640 -0.003 0.000 0.235 909 D C 0.295 176.570 176.300 -0.040 0.000 1.331 909 D CA -0.202 53.799 54.000 0.001 0.000 0.959 909 D CB 0.648 41.410 40.800 -0.064 0.000 1.432 909 D HN 0.084 nan 8.370 nan 0.000 0.544 910 K N 1.277 121.609 120.400 -0.113 0.000 2.585 910 K HA -0.063 4.255 4.320 -0.003 0.000 0.194 910 K C 0.952 177.545 176.600 -0.012 0.000 1.037 910 K CA 0.511 56.648 56.287 -0.250 0.000 0.964 910 K CB 0.132 31.972 32.500 -1.101 0.000 0.787 910 K HN 0.317 nan 8.250 nan 0.000 0.488 911 N N 0.860 119.597 118.700 0.061 0.000 2.457 911 N HA -0.062 4.676 4.740 -0.003 0.000 0.180 911 N C -0.186 175.358 175.510 0.056 0.000 1.050 911 N CA 0.346 53.473 53.050 0.129 0.000 0.906 911 N CB 0.317 38.856 38.487 0.086 0.000 0.968 911 N HN 0.190 nan 8.380 nan 0.000 0.445 912 Q N 1.006 120.834 119.800 0.047 0.000 2.337 912 Q HA 0.288 4.626 4.340 -0.003 0.000 0.255 912 Q C -0.728 175.549 176.000 0.462 0.000 0.997 912 Q CA 0.186 56.117 55.803 0.213 0.000 0.925 912 Q CB 1.426 30.206 28.738 0.070 0.000 1.212 912 Q HN 0.268 nan 8.270 nan 0.000 0.436 913 I N 2.084 122.902 120.570 0.414 0.000 2.404 913 I HA 0.230 4.398 4.170 -0.003 0.000 0.293 913 I C -0.151 175.849 176.117 -0.195 0.000 0.992 913 I CA -0.636 60.675 61.300 0.019 0.000 1.149 913 I CB 1.745 39.666 38.000 -0.132 0.000 1.315 913 I HN 0.463 nan 8.210 nan 0.000 0.446 914 Q N 6.644 125.970 119.800 -0.789 0.000 2.307 914 Q HA 0.604 4.941 4.340 -0.003 0.000 0.262 914 Q C -1.693 173.735 176.000 -0.954 0.000 0.961 914 Q CA -0.655 54.351 55.803 -1.327 0.000 0.882 914 Q CB 1.589 29.015 28.738 -2.187 0.000 1.264 914 Q HN 0.615 nan 8.270 nan 0.000 0.446 915 L N 4.689 125.481 121.223 -0.718 0.000 2.333 915 L HA 0.511 4.849 4.340 -0.003 0.000 0.280 915 L C -0.799 175.809 176.870 -0.436 0.000 1.004 915 L CA -0.640 53.936 54.840 -0.440 0.000 0.820 915 L CB 0.853 42.814 42.059 -0.162 0.000 1.247 915 L HN 0.611 nan 8.230 nan 0.000 0.416 916 F N 0.818 120.720 119.950 -0.081 0.000 2.410 916 F HA 0.269 4.794 4.527 -0.004 0.000 0.324 916 F C 1.123 176.924 175.800 0.001 0.000 1.093 916 F CA -0.653 57.334 58.000 -0.022 0.000 1.028 916 F CB 0.457 39.420 39.000 -0.062 0.000 1.309 916 F HN 0.392 nan 8.300 nan 0.000 0.499 917 N N 1.899 120.736 118.700 0.229 0.000 3.245 917 N HA 0.275 5.013 4.740 -0.003 0.000 0.296 917 N C -1.575 173.979 175.510 0.073 0.000 1.254 917 N CA 0.248 53.354 53.050 0.094 0.000 1.190 917 N CB -0.752 37.753 38.487 0.029 0.000 1.460 917 N HN 0.442 nan 8.380 nan 0.000 0.538 918 L N 0.393 121.670 121.223 0.089 0.000 2.409 918 L HA 0.304 4.642 4.340 -0.003 0.000 0.262 918 L C 1.257 178.156 176.870 0.047 0.000 0.992 918 L CA -0.725 54.147 54.840 0.053 0.000 0.817 918 L CB 2.148 44.237 42.059 0.052 0.000 1.350 918 L HN 0.074 nan 8.230 nan 0.000 0.411 919 E N 0.615 120.831 120.200 0.027 0.000 2.160 919 E HA -0.143 4.205 4.350 -0.003 0.000 0.195 919 E C 1.468 178.087 176.600 0.033 0.000 0.991 919 E CA 1.812 58.227 56.400 0.024 0.000 0.810 919 E CB 0.231 29.939 29.700 0.013 0.000 0.742 919 E HN 0.603 nan 8.360 nan 0.000 0.466 920 S N -0.778 114.944 115.700 0.036 0.000 2.522 920 S HA 0.032 4.500 4.470 -0.003 0.000 0.227 920 S C 0.865 175.502 174.600 0.062 0.000 0.986 920 S CA 0.437 58.663 58.200 0.044 0.000 0.929 920 S CB 0.072 63.293 63.200 0.036 0.000 0.769 920 S HN 0.100 nan 8.310 nan 0.000 0.529 921 S N 2.744 118.489 115.700 0.075 0.000 2.955 921 S HA 0.328 4.796 4.470 -0.003 0.000 0.294 921 S C -0.310 174.321 174.600 0.052 0.000 1.198 921 S CA -0.659 57.590 58.200 0.083 0.000 1.008 921 S CB -0.632 62.658 63.200 0.151 0.000 1.279 921 S HN 0.524 nan 8.310 nan 0.000 0.508 922 K N 2.556 122.986 120.400 0.050 0.000 2.579 922 K HA 0.603 4.921 4.320 -0.003 0.000 0.284 922 K C -1.635 175.013 176.600 0.079 0.000 0.990 922 K CA -1.017 55.309 56.287 0.064 0.000 0.880 922 K CB 1.105 33.642 32.500 0.062 0.000 1.488 922 K HN 0.315 nan 8.250 nan 0.000 0.425 923 I N 0.890 121.533 120.570 0.121 0.000 2.534 923 I HA 0.251 4.419 4.170 -0.003 0.000 0.288 923 I C -1.223 175.019 176.117 0.208 0.000 1.077 923 I CA -0.539 60.840 61.300 0.132 0.000 1.051 923 I CB 2.303 40.328 38.000 0.042 0.000 1.234 923 I HN 0.735 nan 8.210 nan 0.000 0.425 924 E N 6.073 126.362 120.200 0.148 0.000 2.176 924 E HA 0.556 4.904 4.350 -0.003 0.000 0.267 924 E C -1.677 175.002 176.600 0.132 0.000 0.893 924 E CA -0.637 55.840 56.400 0.127 0.000 0.761 924 E CB 2.169 31.908 29.700 0.066 0.000 1.133 924 E HN 0.340 nan 8.360 nan 0.000 0.409 925 V N 6.060 126.064 119.914 0.149 0.000 2.370 925 V HA 0.252 4.370 4.120 -0.003 0.000 0.283 925 V C -0.023 176.128 176.094 0.095 0.000 1.023 925 V CA -0.779 61.609 62.300 0.147 0.000 0.857 925 V CB 1.229 33.188 31.823 0.226 0.000 0.985 925 V HN 0.680 nan 8.190 nan 0.000 0.443 926 I N 6.395 127.013 120.570 0.081 0.000 2.269 926 I HA 0.262 4.430 4.170 -0.003 0.000 0.293 926 I C 0.274 176.433 176.117 0.069 0.000 1.106 926 I CA -0.064 61.271 61.300 0.058 0.000 1.248 926 I CB 0.580 38.609 38.000 0.048 0.000 1.444 926 I HN 0.430 nan 8.210 nan 0.000 0.497 927 L N 5.936 127.198 121.223 0.065 0.000 2.456 927 L HA 0.113 4.451 4.340 -0.003 0.000 0.272 927 L C 1.005 177.898 176.870 0.039 0.000 1.189 927 L CA -0.303 54.574 54.840 0.062 0.000 0.846 927 L CB 0.174 42.270 42.059 0.061 0.000 1.111 927 L HN 0.377 nan 8.230 nan 0.000 0.475 928 K N 2.211 122.626 120.400 0.026 0.000 2.382 928 K HA -0.036 4.282 4.320 -0.003 0.000 0.275 928 K C 0.812 177.406 176.600 -0.010 0.000 1.009 928 K CA 0.087 56.393 56.287 0.033 0.000 0.970 928 K CB 0.467 33.021 32.500 0.091 0.000 0.934 928 K HN 0.447 nan 8.250 nan 0.000 0.479 929 N N 2.386 121.097 118.700 0.017 0.000 2.132 929 N HA -0.230 4.508 4.740 -0.003 0.000 0.191 929 N C 1.340 176.839 175.510 -0.017 0.000 1.015 929 N CA 2.022 55.077 53.050 0.009 0.000 0.864 929 N CB -0.025 38.475 38.487 0.023 0.000 1.006 929 N HN 0.622 nan 8.380 nan 0.000 0.430 930 A N 0.432 123.240 122.820 -0.021 0.000 2.024 930 A HA -0.090 4.228 4.320 -0.003 0.000 0.220 930 A C 1.981 179.490 177.584 -0.125 0.000 1.164 930 A CA 1.517 53.532 52.037 -0.036 0.000 0.643 930 A CB -0.863 18.174 19.000 0.062 0.000 0.806 930 A HN 0.626 nan 8.150 nan 0.000 0.451 931 I N -3.564 116.879 120.570 -0.211 0.000 3.976 931 I HA 0.295 4.463 4.170 -0.003 0.000 0.337 931 I C -0.301 175.794 176.117 -0.037 0.000 1.359 931 I CA -0.474 60.714 61.300 -0.187 0.000 1.098 931 I CB 0.223 38.007 38.000 -0.360 0.000 1.027 931 I HN -0.145 nan 8.210 nan 0.000 0.394 932 V N 2.140 122.045 119.914 -0.015 0.000 2.585 932 V HA -0.068 4.050 4.120 -0.003 0.000 0.296 932 V C -0.176 175.950 176.094 0.054 0.000 1.035 932 V CA 0.138 62.469 62.300 0.051 0.000 1.084 932 V CB 0.044 31.898 31.823 0.052 0.000 0.953 932 V HN 0.306 nan 8.190 nan 0.000 0.483 933 Y N 5.652 125.954 120.300 0.003 0.000 2.436 933 Y HA 0.362 4.909 4.550 -0.004 0.000 0.336 933 Y C 0.510 176.396 175.900 -0.022 0.000 1.049 933 Y CA 0.131 58.204 58.100 -0.045 0.000 1.294 933 Y CB 0.472 38.854 38.460 -0.130 0.000 1.179 933 Y HN 0.730 nan 8.280 nan 0.000 0.520 934 N N 4.148 122.524 118.700 -0.539 0.000 2.827 934 N HA 0.206 4.944 4.740 -0.003 0.000 0.240 934 N C -1.913 173.297 175.510 -0.499 0.000 1.352 934 N CA -0.110 52.679 53.050 -0.435 0.000 0.760 934 N CB 0.991 39.144 38.487 -0.556 0.000 1.426 934 N HN 0.570 nan 8.380 nan 0.000 0.561 935 S N 1.862 117.260 115.700 -0.503 0.000 2.611 935 S HA 0.520 4.988 4.470 -0.003 0.000 0.268 935 S C -0.204 174.324 174.600 -0.121 0.000 1.156 935 S CA -0.406 57.602 58.200 -0.319 0.000 0.817 935 S CB 1.020 63.964 63.200 -0.427 0.000 1.122 935 S HN 0.304 nan 8.310 nan 0.000 0.466 936 M N 1.130 120.616 119.600 -0.189 0.000 2.308 936 M HA 0.303 4.780 4.480 -0.003 0.000 0.269 936 M C -0.251 175.724 176.300 -0.543 0.000 1.040 936 M CA 0.366 55.423 55.300 -0.406 0.000 1.024 936 M CB 0.443 32.594 32.600 -0.749 0.000 1.465 936 M HN 0.758 nan 8.290 nan 0.000 0.517 937 Y N -1.039 119.322 120.300 0.102 0.000 2.441 937 Y HA 0.258 4.806 4.550 -0.003 0.000 0.266 937 Y C 0.519 176.516 175.900 0.161 0.000 1.093 937 Y CA -0.730 57.439 58.100 0.115 0.000 1.246 937 Y CB 0.455 38.953 38.460 0.064 0.000 1.262 937 Y HN -0.109 nan 8.280 nan 0.000 0.518 938 E N 2.402 122.790 120.200 0.313 0.000 2.344 938 E HA 0.094 4.442 4.350 -0.003 0.000 0.270 938 E C -0.579 176.318 176.600 0.494 0.000 1.021 938 E CA -0.082 56.515 56.400 0.328 0.000 0.887 938 E CB 0.373 30.200 29.700 0.211 0.000 0.997 938 E HN 0.249 nan 8.360 nan 0.000 0.429 939 N N 2.436 121.356 118.700 0.367 0.000 2.483 939 N HA 0.443 5.181 4.740 -0.003 0.000 0.269 939 N C -0.157 175.620 175.510 0.446 0.000 1.209 939 N CA -0.162 53.091 53.050 0.338 0.000 0.969 939 N CB 0.548 39.131 38.487 0.160 0.000 1.173 939 N HN 0.344 nan 8.380 nan 0.000 0.475 940 F N -2.558 117.427 119.950 0.059 0.000 2.693 940 F HA 0.710 5.235 4.527 -0.004 0.000 0.309 940 F C -0.984 174.772 175.800 -0.073 0.000 1.129 940 F CA -0.912 57.107 58.000 0.031 0.000 0.948 940 F CB 0.895 39.907 39.000 0.020 0.000 1.315 940 F HN 0.229 nan 8.300 nan 0.000 0.447 941 S N 0.118 115.793 115.700 -0.041 0.000 2.618 941 S HA 0.813 5.281 4.470 -0.003 0.000 0.277 941 S C -1.312 173.265 174.600 -0.039 0.000 1.138 941 S CA -0.788 57.263 58.200 -0.249 0.000 0.844 941 S CB 2.127 65.184 63.200 -0.237 0.000 1.127 941 S HN 0.993 nan 8.310 nan 0.000 0.474 942 T N 1.071 115.490 114.554 -0.226 0.000 2.916 942 T HA 0.765 5.113 4.350 -0.003 0.000 0.305 942 T C -1.494 173.124 174.700 -0.137 0.000 1.119 942 T CA -0.410 61.602 62.100 -0.147 0.000 1.008 942 T CB 1.188 69.916 68.868 -0.233 0.000 1.129 942 T HN 0.866 nan 8.240 nan 0.000 0.480 943 S N 2.733 118.414 115.700 -0.031 0.000 2.564 943 S HA 0.967 5.435 4.470 -0.003 0.000 0.274 943 S C -1.219 173.506 174.600 0.208 0.000 1.124 943 S CA -0.813 57.328 58.200 -0.098 0.000 0.869 943 S CB 1.659 64.888 63.200 0.049 0.000 1.105 943 S HN 1.198 nan 8.310 nan 0.000 0.472 944 F N -2.816 117.186 119.950 0.086 0.000 2.829 944 F HA 0.773 5.298 4.527 -0.004 0.000 0.319 944 F C -2.548 173.489 175.800 0.394 0.000 1.153 944 F CA -1.624 56.628 58.000 0.421 0.000 0.912 944 F CB 0.119 39.459 39.000 0.567 0.000 1.292 944 F HN 0.663 nan 8.300 nan 0.000 0.447 945 W N 2.624 124.321 121.300 0.662 0.000 2.570 945 W HA 0.828 5.487 4.660 -0.003 0.000 0.337 945 W C -0.816 176.209 176.519 0.843 0.000 1.067 945 W CA -0.940 56.776 57.345 0.618 0.000 1.229 945 W CB 1.844 31.588 29.460 0.473 0.000 1.355 945 W HN 0.727 nan 8.180 nan 0.000 0.555 946 I N 1.903 123.033 120.570 0.932 0.000 2.802 946 I HA 0.505 4.673 4.170 -0.003 0.000 0.298 946 I C -1.156 175.103 176.117 0.236 0.000 1.176 946 I CA -1.367 60.316 61.300 0.640 0.000 1.025 946 I CB 2.025 40.378 38.000 0.589 0.000 1.243 946 I HN 0.482 nan 8.210 nan 0.000 0.424 947 R N 7.585 127.977 120.500 -0.181 0.000 2.468 947 R HA 0.577 4.915 4.340 -0.003 0.000 0.302 947 R C -1.774 174.445 176.300 -0.134 0.000 1.041 947 R CA -0.480 55.388 56.100 -0.387 0.000 0.899 947 R CB 1.019 30.633 30.300 -1.143 0.000 1.167 947 R HN 0.560 nan 8.270 nan 0.000 0.483 948 I N 6.447 126.976 120.570 -0.067 0.000 2.315 948 I HA 0.349 4.517 4.170 -0.003 0.000 0.291 948 I C -1.993 174.015 176.117 -0.183 0.000 1.006 948 I CA -2.544 58.706 61.300 -0.084 0.000 1.265 948 I CB 1.615 39.637 38.000 0.038 0.000 1.387 948 I HN 0.364 nan 8.210 nan 0.000 0.475 949 P HA 0.012 nan 4.420 nan 0.000 0.269 949 P C -0.515 176.485 177.300 -0.500 0.000 1.215 949 P CA -0.423 62.452 63.100 -0.376 0.000 0.780 949 P CB 0.548 31.906 31.700 -0.570 0.000 0.898 950 K N 2.135 122.233 120.400 -0.503 0.000 2.414 950 K HA 0.032 4.350 4.320 -0.003 0.000 0.272 950 K C -0.664 175.265 176.600 -1.118 0.000 0.993 950 K CA 0.137 56.031 56.287 -0.656 0.000 0.964 950 K CB -0.028 32.033 32.500 -0.732 0.000 0.925 950 K HN 0.302 nan 8.250 nan 0.000 0.487 951 Y N 3.475 123.492 120.300 -0.471 0.000 2.359 951 Y HA 0.080 4.628 4.550 -0.002 0.000 0.334 951 Y C 0.381 176.112 175.900 -0.282 0.000 1.058 951 Y CA 0.072 58.019 58.100 -0.254 0.000 1.244 951 Y CB 0.483 39.042 38.460 0.165 0.000 1.187 951 Y HN 0.541 nan 8.280 nan 0.000 0.510 952 F N -0.297 119.806 119.950 0.256 0.000 2.602 952 F HA 0.156 4.681 4.527 -0.003 0.000 0.284 952 F C 0.501 176.423 175.800 0.204 0.000 1.111 952 F CA -0.181 57.970 58.000 0.252 0.000 1.405 952 F CB 0.287 39.370 39.000 0.139 0.000 1.121 952 F HN 0.374 nan 8.300 nan 0.000 0.603 953 N N 0.120 119.023 118.700 0.337 0.000 2.430 953 N HA 0.114 4.852 4.740 -0.003 0.000 0.298 953 N C 0.838 176.400 175.510 0.087 0.000 1.130 953 N CA 0.373 53.535 53.050 0.188 0.000 0.894 953 N CB 1.628 40.217 38.487 0.170 0.000 1.209 953 N HN -0.051 nan 8.380 nan 0.000 0.503 954 S N 0.280 115.988 115.700 0.013 0.000 2.469 954 S HA -0.090 4.378 4.470 -0.003 0.000 0.238 954 S C 1.574 176.141 174.600 -0.055 0.000 0.998 954 S CA 0.281 58.441 58.200 -0.067 0.000 0.957 954 S CB -0.335 62.823 63.200 -0.069 0.000 0.764 954 S HN 0.663 nan 8.310 nan 0.000 0.514 955 I N 1.332 121.901 120.570 -0.002 0.000 2.916 955 I HA -0.080 4.088 4.170 -0.003 0.000 0.267 955 I C 1.325 177.448 176.117 0.010 0.000 1.263 955 I CA 0.695 61.996 61.300 0.002 0.000 1.471 955 I CB -0.108 37.903 38.000 0.019 0.000 1.089 955 I HN 0.258 nan 8.210 nan 0.000 0.468 956 S N 0.339 116.055 115.700 0.026 0.000 2.524 956 S HA 0.247 4.715 4.470 -0.003 0.000 0.216 956 S C 0.723 175.281 174.600 -0.071 0.000 0.987 956 S CA -0.242 57.989 58.200 0.053 0.000 0.909 956 S CB 0.001 63.348 63.200 0.246 0.000 0.781 956 S HN 0.229 nan 8.310 nan 0.000 0.521 957 L N 2.838 123.962 121.223 -0.165 0.000 2.416 957 L HA 0.207 4.545 4.340 -0.003 0.000 0.272 957 L C 0.086 176.890 176.870 -0.111 0.000 1.161 957 L CA -0.332 54.362 54.840 -0.243 0.000 0.845 957 L CB 0.018 41.891 42.059 -0.311 0.000 1.119 957 L HN 0.224 nan 8.230 nan 0.000 0.464 958 N N 2.490 121.142 118.700 -0.079 0.000 2.714 958 N HA -0.230 4.508 4.740 -0.003 0.000 0.253 958 N C -0.626 174.879 175.510 -0.008 0.000 1.024 958 N CA 0.682 53.708 53.050 -0.040 0.000 0.726 958 N CB -1.058 37.401 38.487 -0.047 0.000 0.908 958 N HN 0.696 nan 8.380 nan 0.000 0.542 959 N N 0.630 119.345 118.700 0.026 0.000 2.710 959 N HA 0.087 4.825 4.740 -0.003 0.000 0.244 959 N C -1.133 174.484 175.510 0.178 0.000 1.321 959 N CA -0.337 52.763 53.050 0.083 0.000 0.758 959 N CB 0.787 39.323 38.487 0.082 0.000 1.284 959 N HN 0.258 nan 8.380 nan 0.000 0.530 960 E N 2.505 122.771 120.200 0.110 0.000 2.290 960 E HA 0.143 4.491 4.350 -0.003 0.000 0.277 960 E C -1.006 175.694 176.600 0.166 0.000 1.035 960 E CA -0.361 56.089 56.400 0.083 0.000 0.873 960 E CB 0.440 30.145 29.700 0.008 0.000 1.029 960 E HN 0.513 nan 8.360 nan 0.000 0.419 961 Y N 0.564 120.890 120.300 0.043 0.000 2.425 961 Y HA 0.431 4.979 4.550 -0.004 0.000 0.344 961 Y C -0.434 175.492 175.900 0.044 0.000 0.969 961 Y CA -1.341 56.783 58.100 0.041 0.000 1.052 961 Y CB 0.846 39.340 38.460 0.057 0.000 1.215 961 Y HN 0.118 nan 8.280 nan 0.000 0.451 962 T N 4.574 119.178 114.554 0.083 0.000 2.907 962 T HA 0.315 4.663 4.350 -0.003 0.000 0.298 962 T C 1.217 175.946 174.700 0.049 0.000 1.017 962 T CA 0.062 62.165 62.100 0.005 0.000 1.118 962 T CB 0.544 69.400 68.868 -0.020 0.000 0.948 962 T HN 0.827 nan 8.240 nan 0.000 0.531 963 I N -0.717 119.854 120.570 0.000 0.000 4.338 963 I HA 0.485 4.653 4.170 -0.003 0.000 0.315 963 I C -0.042 176.032 176.117 -0.071 0.000 1.262 963 I CA -0.007 61.312 61.300 0.032 0.000 1.298 963 I CB 0.535 38.576 38.000 0.069 0.000 1.257 963 I HN 0.343 nan 8.210 nan 0.000 0.444 964 I N 2.749 123.235 120.570 -0.139 0.000 2.468 964 I HA 0.381 4.549 4.170 -0.003 0.000 0.284 964 I C -1.273 174.661 176.117 -0.305 0.000 1.038 964 I CA -0.388 60.694 61.300 -0.363 0.000 1.083 964 I CB 1.549 39.358 38.000 -0.318 0.000 1.223 964 I HN 0.108 nan 8.210 nan 0.000 0.443 965 N N 5.102 123.541 118.700 -0.436 0.000 2.372 965 N HA 0.392 5.130 4.740 -0.003 0.000 0.285 965 N C -0.945 174.176 175.510 -0.647 0.000 1.008 965 N CA -0.377 52.405 53.050 -0.447 0.000 0.880 965 N CB 2.034 40.351 38.487 -0.285 0.000 1.239 965 N HN 0.653 nan 8.380 nan 0.000 0.484 966 C N 5.701 124.467 119.300 -0.890 0.000 3.025 966 C HA 0.467 4.925 4.460 -0.003 0.000 0.240 966 C C -1.061 173.514 174.990 -0.691 0.000 2.061 966 C CA -0.515 57.916 59.018 -0.979 0.000 1.571 966 C CB -1.271 25.349 27.740 -1.867 0.000 3.075 966 C HN 0.609 nan 8.230 nan 0.000 0.479 967 M N 1.975 121.307 119.600 -0.447 0.000 2.129 967 M HA 0.325 4.803 4.480 -0.003 0.000 0.348 967 M C 0.575 176.739 176.300 -0.228 0.000 1.116 967 M CA 0.282 55.406 55.300 -0.293 0.000 1.022 967 M CB 1.480 33.943 32.600 -0.229 0.000 1.599 967 M HN 0.470 nan 8.290 nan 0.000 0.449 968 E N 3.192 123.271 120.200 -0.201 0.000 3.381 968 E HA 0.039 4.387 4.350 -0.003 0.000 0.509 968 E C 0.854 177.360 176.600 -0.156 0.000 0.319 968 E CA 1.179 57.462 56.400 -0.194 0.000 3.013 968 E CB 0.294 29.836 29.700 -0.264 0.000 2.197 968 E HN 0.650 nan 8.360 nan 0.000 0.410 969 N N -0.218 118.391 118.700 -0.151 0.000 2.014 969 N HA -0.083 4.655 4.740 -0.003 0.000 0.194 969 N C 0.227 175.680 175.510 -0.094 0.000 1.083 969 N CA 1.999 54.984 53.050 -0.108 0.000 0.870 969 N CB -0.199 38.231 38.487 -0.094 0.000 1.061 969 N HN 0.235 nan 8.380 nan 0.000 0.427 970 N N -1.702 116.950 118.700 -0.080 0.000 2.377 970 N HA 0.267 5.005 4.740 -0.003 0.000 0.259 970 N C -1.442 174.033 175.510 -0.058 0.000 1.332 970 N CA -0.184 52.825 53.050 -0.067 0.000 0.877 970 N CB 1.332 39.790 38.487 -0.049 0.000 1.299 970 N HN 0.019 nan 8.380 nan 0.000 0.501 971 S N -0.443 115.217 115.700 -0.066 0.000 2.570 971 S HA 0.915 5.383 4.470 -0.003 0.000 0.286 971 S C 0.089 174.660 174.600 -0.050 0.000 1.099 971 S CA 0.133 58.315 58.200 -0.030 0.000 0.913 971 S CB 1.240 64.451 63.200 0.018 0.000 1.085 971 S HN 0.437 nan 8.310 nan 0.000 0.480 972 G N 2.594 111.390 108.800 -0.007 0.000 2.236 972 G HA2 0.103 4.060 3.960 -0.003 0.000 0.231 972 G HA3 0.103 4.060 3.960 -0.003 0.000 0.231 972 G C -1.459 173.443 174.900 0.004 0.000 1.334 972 G CA -0.147 44.937 45.100 -0.028 0.000 1.137 972 G HN 1.231 nan 8.290 nan 0.000 0.482 973 W N 0.537 121.725 121.300 -0.186 0.000 3.062 973 W HA 0.835 5.492 4.660 -0.004 0.000 0.336 973 W C -0.720 175.576 176.519 -0.373 0.000 1.224 973 W CA -0.627 56.479 57.345 -0.398 0.000 1.159 973 W CB 1.482 30.697 29.460 -0.408 0.000 1.454 973 W HN 1.210 nan 8.180 nan 0.000 0.569 974 K N -0.141 120.167 120.400 -0.152 0.000 2.587 974 K HA 0.615 4.933 4.320 -0.003 0.000 0.276 974 K C -2.343 174.309 176.600 0.086 0.000 0.956 974 K CA -0.888 55.371 56.287 -0.046 0.000 0.857 974 K CB 1.974 34.374 32.500 -0.168 0.000 1.431 974 K HN 0.263 nan 8.250 nan 0.000 0.420 975 V N 1.840 121.891 119.914 0.228 0.000 2.459 975 V HA 0.594 4.712 4.120 -0.003 0.000 0.295 975 V C -0.511 175.648 176.094 0.109 0.000 1.029 975 V CA -0.302 62.179 62.300 0.302 0.000 0.874 975 V CB 1.368 33.422 31.823 0.385 0.000 0.985 975 V HN 0.969 nan 8.190 nan 0.000 0.438 976 S N 5.278 121.025 115.700 0.078 0.000 2.627 976 S HA 0.883 5.351 4.470 -0.003 0.000 0.283 976 S C -1.163 173.368 174.600 -0.115 0.000 1.127 976 S CA -0.888 57.275 58.200 -0.062 0.000 0.863 976 S CB 1.976 65.135 63.200 -0.069 0.000 1.121 976 S HN 0.438 nan 8.310 nan 0.000 0.479 977 L N 1.195 122.176 121.223 -0.404 0.000 2.309 977 L HA 0.737 5.075 4.340 -0.003 0.000 0.261 977 L C -0.467 176.160 176.870 -0.404 0.000 1.021 977 L CA -0.852 53.755 54.840 -0.387 0.000 0.823 977 L CB 2.083 43.863 42.059 -0.465 0.000 1.366 977 L HN 0.793 nan 8.230 nan 0.000 0.423 978 N N -0.785 117.833 118.700 -0.137 0.000 3.020 978 N HA 0.167 4.905 4.740 -0.003 0.000 0.248 978 N C -1.447 173.897 175.510 -0.276 0.000 1.480 978 N CA -0.629 52.375 53.050 -0.077 0.000 0.874 978 N CB 1.242 39.684 38.487 -0.074 0.000 1.433 978 N HN 0.422 nan 8.380 nan 0.000 0.530 979 Y N 1.729 121.680 120.300 -0.583 0.000 2.804 979 Y HA 0.212 4.760 4.550 -0.004 0.000 0.338 979 Y C 1.469 176.983 175.900 -0.642 0.000 1.252 979 Y CA 1.732 59.262 58.100 -0.950 0.000 1.576 979 Y CB -0.534 37.572 38.460 -0.590 0.000 1.223 979 Y HN 0.719 nan 8.280 nan 0.000 0.536 980 G N 4.321 112.384 108.800 -1.228 0.000 2.198 980 G HA2 -0.250 3.708 3.960 -0.003 0.000 0.260 980 G HA3 -0.250 3.708 3.960 -0.003 0.000 0.260 980 G C -0.338 173.882 174.900 -1.133 0.000 1.025 980 G CA 0.509 44.706 45.100 -1.507 0.000 0.769 980 G HN 0.937 nan 8.290 nan 0.000 0.507 981 E N -1.439 118.449 120.200 -0.521 0.000 2.407 981 E HA 0.709 5.057 4.350 -0.003 0.000 0.279 981 E C -0.987 175.668 176.600 0.092 0.000 1.012 981 E CA -1.382 54.901 56.400 -0.196 0.000 0.800 981 E CB 1.473 31.041 29.700 -0.219 0.000 1.276 981 E HN 0.227 nan 8.360 nan 0.000 0.452 982 I N 1.877 122.559 120.570 0.187 0.000 2.436 982 I HA 0.446 4.614 4.170 -0.003 0.000 0.289 982 I C -0.762 175.472 176.117 0.196 0.000 1.010 982 I CA -0.887 60.561 61.300 0.247 0.000 1.098 982 I CB 1.419 39.643 38.000 0.374 0.000 1.266 982 I HN 0.426 nan 8.210 nan 0.000 0.434 983 I N 5.369 126.039 120.570 0.166 0.000 2.509 983 I HA 0.361 4.529 4.170 -0.003 0.000 0.293 983 I C -0.951 175.331 176.117 0.275 0.000 1.020 983 I CA -0.534 60.866 61.300 0.167 0.000 1.088 983 I CB 2.282 40.325 38.000 0.071 0.000 1.267 983 I HN 0.593 nan 8.210 nan 0.000 0.430 984 W N 6.086 127.426 121.300 0.066 0.000 2.532 984 W HA 0.567 5.225 4.660 -0.003 0.000 0.321 984 W C -1.544 175.018 176.519 0.073 0.000 1.037 984 W CA -0.450 56.946 57.345 0.085 0.000 1.220 984 W CB 2.043 31.530 29.460 0.045 0.000 1.361 984 W HN 0.403 nan 8.180 nan 0.000 0.468 985 T N 6.841 121.100 114.554 -0.492 0.000 2.848 985 T HA 0.536 4.884 4.350 -0.003 0.000 0.285 985 T C -0.495 173.873 174.700 -0.553 0.000 0.995 985 T CA -0.521 61.345 62.100 -0.390 0.000 0.970 985 T CB 1.779 70.531 68.868 -0.194 0.000 0.976 985 T HN 0.303 nan 8.240 nan 0.000 0.441 986 L N 2.681 123.717 121.223 -0.311 0.000 2.362 986 L HA 0.672 5.010 4.340 -0.003 0.000 0.271 986 L C -0.396 176.441 176.870 -0.055 0.000 1.002 986 L CA -0.742 54.008 54.840 -0.150 0.000 0.818 986 L CB 2.260 44.322 42.059 0.005 0.000 1.298 986 L HN 0.557 nan 8.230 nan 0.000 0.420 987 Q N 1.907 121.697 119.800 -0.017 0.000 2.268 987 Q HA 0.233 4.571 4.340 -0.003 0.000 0.266 987 Q C -1.576 174.441 176.000 0.029 0.000 1.006 987 Q CA -0.791 55.010 55.803 -0.004 0.000 0.824 987 Q CB 2.532 31.250 28.738 -0.032 0.000 1.306 987 Q HN 0.715 nan 8.270 nan 0.000 0.424 988 D N 0.919 121.342 120.400 0.038 0.000 2.447 988 D HA 0.047 4.685 4.640 -0.003 0.000 0.265 988 D C 0.945 177.267 176.300 0.037 0.000 1.250 988 D CA 0.173 54.205 54.000 0.053 0.000 1.046 988 D CB 0.370 41.198 40.800 0.046 0.000 1.095 988 D HN 0.558 nan 8.370 nan 0.000 0.555 989 T N -4.237 110.343 114.554 0.044 0.000 3.194 989 T HA 0.019 4.367 4.350 -0.003 0.000 0.251 989 T C 0.870 175.581 174.700 0.018 0.000 1.132 989 T CA 0.265 62.385 62.100 0.033 0.000 1.028 989 T CB -0.252 68.647 68.868 0.051 0.000 0.976 989 T HN 0.284 nan 8.240 nan 0.000 0.535 990 Q N 0.940 120.749 119.800 0.015 0.000 2.182 990 Q HA 0.297 4.635 4.340 -0.003 0.000 0.305 990 Q C -0.054 175.949 176.000 0.004 0.000 0.880 990 Q CA -0.170 55.638 55.803 0.008 0.000 1.131 990 Q CB -0.304 28.439 28.738 0.009 0.000 1.237 990 Q HN 0.578 nan 8.270 nan 0.000 0.447 991 E N -0.332 119.868 120.200 0.000 0.000 2.660 991 E HA -0.254 4.094 4.350 -0.003 0.000 0.260 991 E C -0.585 176.013 176.600 -0.003 0.000 1.122 991 E CA 0.568 56.965 56.400 -0.005 0.000 0.755 991 E CB -1.246 28.450 29.700 -0.007 0.000 1.345 991 E HN 0.477 nan 8.360 nan 0.000 0.421 992 I N 1.247 121.818 120.570 0.003 0.000 2.336 992 I HA 0.272 4.440 4.170 -0.003 0.000 0.292 992 I C 0.436 176.556 176.117 0.005 0.000 0.991 992 I CA -0.277 61.026 61.300 0.005 0.000 1.227 992 I CB 1.105 39.111 38.000 0.011 0.000 1.366 992 I HN 0.031 nan 8.210 nan 0.000 0.466 993 K N 5.072 125.473 120.400 0.001 0.000 2.466 993 K HA 0.808 5.126 4.320 -0.003 0.000 0.260 993 K C -1.312 175.289 176.600 0.002 0.000 1.011 993 K CA -1.000 55.284 56.287 -0.004 0.000 0.871 993 K CB 2.203 34.690 32.500 -0.022 0.000 1.404 993 K HN 0.296 nan 8.250 nan 0.000 0.450 994 Q N 0.628 120.428 119.800 0.001 0.000 2.377 994 Q HA 0.461 4.799 4.340 -0.003 0.000 0.279 994 Q C -1.757 174.251 176.000 0.015 0.000 1.049 994 Q CA -0.570 55.243 55.803 0.018 0.000 0.825 994 Q CB 2.289 31.052 28.738 0.042 0.000 1.401 994 Q HN 0.696 nan 8.270 nan 0.000 0.404 995 R N 1.093 121.613 120.500 0.033 0.000 2.750 995 R HA 0.836 5.174 4.340 -0.003 0.000 0.281 995 R C -1.146 175.211 176.300 0.095 0.000 0.972 995 R CA -1.052 55.081 56.100 0.054 0.000 0.912 995 R CB 2.192 32.507 30.300 0.025 0.000 1.187 995 R HN 0.385 nan 8.270 nan 0.000 0.464 996 V N 2.409 122.421 119.914 0.163 0.000 2.656 996 V HA 0.528 4.646 4.120 -0.003 0.000 0.307 996 V C -0.526 175.643 176.094 0.126 0.000 1.051 996 V CA -0.774 61.602 62.300 0.127 0.000 0.893 996 V CB 2.169 34.072 31.823 0.134 0.000 0.999 996 V HN 0.463 nan 8.190 nan 0.000 0.426 997 V N 4.245 124.203 119.914 0.073 0.000 2.789 997 V HA 0.543 4.661 4.120 -0.003 0.000 0.311 997 V C -1.071 175.081 176.094 0.098 0.000 1.073 997 V CA -0.679 61.668 62.300 0.079 0.000 0.921 997 V CB 2.129 33.965 31.823 0.023 0.000 1.009 997 V HN 0.726 nan 8.190 nan 0.000 0.426 998 F N 4.005 123.933 119.950 -0.036 0.000 2.444 998 F HA 0.709 5.234 4.527 -0.003 0.000 0.342 998 F C -0.251 175.527 175.800 -0.038 0.000 1.121 998 F CA -0.793 57.166 58.000 -0.069 0.000 0.997 998 F CB 1.241 40.185 39.000 -0.093 0.000 1.130 998 F HN 0.407 nan 8.300 nan 0.000 0.454 999 K N 6.677 126.646 120.400 -0.719 0.000 2.270 999 K HA 0.454 4.772 4.320 -0.003 0.000 0.255 999 K C -1.754 174.327 176.600 -0.864 0.000 0.936 999 K CA -0.834 55.036 56.287 -0.695 0.000 0.809 999 K CB 2.256 34.539 32.500 -0.362 0.000 1.131 999 K HN 0.674 nan 8.250 nan 0.000 0.427 1000 Y N -1.656 118.172 120.300 -0.787 0.000 2.524 1000 Y HA 0.560 5.108 4.550 -0.003 0.000 0.347 1000 Y C -0.395 175.347 175.900 -0.263 0.000 1.005 1000 Y CA -1.199 56.594 58.100 -0.513 0.000 1.025 1000 Y CB 1.553 39.733 38.460 -0.466 0.000 1.275 1000 Y HN 0.435 nan 8.280 nan 0.000 0.460 1001 S N 0.993 116.691 115.700 -0.003 0.000 2.616 1001 S HA 0.274 4.742 4.470 -0.003 0.000 0.277 1001 S C 0.148 174.797 174.600 0.082 0.000 1.234 1001 S CA -0.533 57.648 58.200 -0.033 0.000 1.028 1001 S CB 1.066 64.288 63.200 0.038 0.000 0.988 1001 S HN 0.874 nan 8.310 nan 0.000 0.522 1002 Q N 1.584 121.408 119.800 0.040 0.000 2.217 1002 Q HA 0.228 4.566 4.340 -0.003 0.000 0.217 1002 Q C -0.690 175.431 176.000 0.202 0.000 0.844 1002 Q CA 0.020 55.916 55.803 0.155 0.000 0.957 1002 Q CB 0.413 29.248 28.738 0.161 0.000 1.127 1002 Q HN 0.566 nan 8.270 nan 0.000 0.503 1003 M N 1.474 121.165 119.600 0.152 0.000 2.901 1003 M HA 0.446 4.924 4.480 -0.003 0.000 0.294 1003 M C -0.688 175.690 176.300 0.130 0.000 1.255 1003 M CA -0.083 55.300 55.300 0.138 0.000 1.274 1003 M CB 0.108 32.767 32.600 0.099 0.000 1.173 1003 M HN 0.074 nan 8.290 nan 0.000 0.525 1004 I N 0.523 121.190 120.570 0.163 0.000 2.775 1004 I HA 0.344 4.512 4.170 -0.003 0.000 0.295 1004 I C 0.229 176.448 176.117 0.170 0.000 1.287 1004 I CA -0.242 61.150 61.300 0.153 0.000 1.029 1004 I CB 2.177 40.280 38.000 0.172 0.000 1.282 1004 I HN 0.242 nan 8.210 nan 0.000 0.426 1005 N N 4.346 123.124 118.700 0.130 0.000 2.025 1005 N HA 0.005 4.742 4.740 -0.003 0.000 0.194 1005 N C -0.386 175.212 175.510 0.147 0.000 1.044 1005 N CA 1.871 54.995 53.050 0.122 0.000 0.851 1005 N CB -0.158 38.373 38.487 0.074 0.000 1.036 1005 N HN 0.421 nan 8.380 nan 0.000 0.422 1006 I N -1.037 119.610 120.570 0.128 0.000 2.512 1006 I HA 0.223 4.391 4.170 -0.003 0.000 0.287 1006 I C -0.487 175.720 176.117 0.150 0.000 1.069 1006 I CA -0.580 60.803 61.300 0.139 0.000 1.056 1006 I CB 1.983 40.029 38.000 0.075 0.000 1.229 1006 I HN -0.177 nan 8.210 nan 0.000 0.429 1007 S N 3.220 119.040 115.700 0.200 0.000 2.525 1007 S HA 0.392 4.860 4.470 -0.003 0.000 0.290 1007 S C 0.361 174.939 174.600 -0.036 0.000 1.152 1007 S CA -0.531 57.754 58.200 0.142 0.000 1.072 1007 S CB 0.860 64.220 63.200 0.267 0.000 1.027 1007 S HN 0.578 nan 8.310 nan 0.000 0.500 1008 D N 2.592 122.812 120.400 -0.299 0.000 2.349 1008 D HA 0.091 4.729 4.640 -0.003 0.000 0.215 1008 D C 0.440 176.339 176.300 -0.668 0.000 1.016 1008 D CA 0.955 54.613 54.000 -0.571 0.000 0.870 1008 D CB 0.155 40.472 40.800 -0.805 0.000 0.917 1008 D HN 0.700 nan 8.370 nan 0.000 0.524 1009 Y N 0.130 120.436 120.300 0.009 0.000 2.609 1009 Y HA 0.280 4.828 4.550 -0.003 0.000 0.281 1009 Y C 1.262 177.094 175.900 -0.114 0.000 1.132 1009 Y CA -0.553 57.496 58.100 -0.085 0.000 1.264 1009 Y CB 0.302 38.651 38.460 -0.186 0.000 1.325 1009 Y HN -0.259 nan 8.280 nan 0.000 0.514 1010 I N 3.307 123.968 120.570 0.151 0.000 2.845 1010 I HA -0.229 3.939 4.170 -0.003 0.000 0.290 1010 I C 0.994 177.265 176.117 0.257 0.000 1.202 1010 I CA 1.072 62.506 61.300 0.224 0.000 1.406 1010 I CB -0.224 38.023 38.000 0.412 0.000 1.383 1010 I HN 0.587 nan 8.210 nan 0.000 0.549 1011 N N 4.272 123.046 118.700 0.123 0.000 2.753 1011 N HA -0.212 4.526 4.740 -0.003 0.000 0.251 1011 N C -0.266 175.312 175.510 0.113 0.000 1.097 1011 N CA 0.623 53.706 53.050 0.055 0.000 0.786 1011 N CB -0.131 38.387 38.487 0.052 0.000 1.137 1011 N HN 0.616 nan 8.380 nan 0.000 0.566 1012 R N -0.561 119.999 120.500 0.099 0.000 2.740 1012 R HA 0.264 4.602 4.340 -0.003 0.000 0.282 1012 R C -0.828 175.524 176.300 0.085 0.000 0.969 1012 R CA -0.629 55.527 56.100 0.094 0.000 0.918 1012 R CB 0.677 30.961 30.300 -0.027 0.000 1.175 1012 R HN 0.100 nan 8.270 nan 0.000 0.464 1013 W N 2.812 124.218 121.300 0.177 0.000 2.397 1013 W HA 0.137 4.795 4.660 -0.003 0.000 0.327 1013 W C 0.055 176.799 176.519 0.376 0.000 1.421 1013 W CA 0.205 57.719 57.345 0.282 0.000 1.288 1013 W CB 0.250 29.852 29.460 0.237 0.000 1.312 1013 W HN 0.245 nan 8.180 nan 0.000 0.559 1014 I N 4.473 125.424 120.570 0.634 0.000 2.509 1014 I HA 0.260 4.428 4.170 -0.003 0.000 0.293 1014 I C -0.751 175.475 176.117 0.182 0.000 1.020 1014 I CA -1.280 60.235 61.300 0.357 0.000 1.088 1014 I CB 1.487 39.587 38.000 0.167 0.000 1.267 1014 I HN 0.103 nan 8.210 nan 0.000 0.430 1015 F N 7.321 126.979 119.950 -0.486 0.000 2.391 1015 F HA 0.523 5.048 4.527 -0.003 0.000 0.359 1015 F C -0.543 174.795 175.800 -0.770 0.000 1.122 1015 F CA -0.664 56.661 58.000 -1.125 0.000 1.120 1015 F CB 0.789 38.854 39.000 -1.560 0.000 1.142 1015 F HN 0.013 nan 8.300 nan 0.000 0.483 1016 V N 5.363 124.539 119.914 -1.229 0.000 2.427 1016 V HA 0.546 4.664 4.120 -0.003 0.000 0.286 1016 V C -0.246 175.012 176.094 -1.393 0.000 1.034 1016 V CA -0.482 61.092 62.300 -1.210 0.000 0.893 1016 V CB 1.681 32.772 31.823 -1.221 0.000 0.982 1016 V HN 0.829 nan 8.190 nan 0.000 0.452 1017 T N 5.905 119.852 114.554 -1.011 0.000 2.928 1017 T HA 0.671 5.019 4.350 -0.003 0.000 0.296 1017 T C -0.630 173.760 174.700 -0.516 0.000 1.000 1017 T CA -0.217 61.399 62.100 -0.807 0.000 0.989 1017 T CB 1.268 69.623 68.868 -0.854 0.000 1.005 1017 T HN 0.400 nan 8.240 nan 0.000 0.442 1018 I N 3.299 123.530 120.570 -0.565 0.000 2.447 1018 I HA 0.480 4.647 4.170 -0.003 0.000 0.287 1018 I C 0.383 176.084 176.117 -0.692 0.000 1.023 1018 I CA -0.740 60.150 61.300 -0.683 0.000 1.083 1018 I CB 2.150 39.463 38.000 -1.145 0.000 1.245 1018 I HN 0.691 nan 8.210 nan 0.000 0.434 1019 T N 2.088 116.336 114.554 -0.511 0.000 2.912 1019 T HA 0.555 4.903 4.350 -0.003 0.000 0.288 1019 T C -0.615 173.808 174.700 -0.462 0.000 1.030 1019 T CA -0.899 60.930 62.100 -0.451 0.000 1.020 1019 T CB 1.866 70.582 68.868 -0.254 0.000 1.056 1019 T HN 0.475 nan 8.240 nan 0.000 0.480 1020 N N 2.168 120.583 118.700 -0.474 0.000 2.480 1020 N HA 0.260 4.998 4.740 -0.003 0.000 0.289 1020 N C -1.598 173.820 175.510 -0.153 0.000 1.073 1020 N CA -0.554 52.280 53.050 -0.360 0.000 0.885 1020 N CB 2.148 40.242 38.487 -0.656 0.000 1.421 1020 N HN 0.836 nan 8.380 nan 0.000 0.503 1021 N N 1.564 120.232 118.700 -0.053 0.000 2.511 1021 N HA 0.175 4.913 4.740 -0.003 0.000 0.249 1021 N C 0.947 176.497 175.510 0.066 0.000 0.971 1021 N CA -0.574 52.489 53.050 0.021 0.000 0.938 1021 N CB 0.881 39.373 38.487 0.008 0.000 1.131 1021 N HN 0.186 nan 8.380 nan 0.000 0.505 1022 R N 2.601 123.178 120.500 0.127 0.000 2.200 1022 R HA -0.085 4.253 4.340 -0.003 0.000 0.234 1022 R C 1.139 177.503 176.300 0.107 0.000 1.127 1022 R CA 0.897 57.081 56.100 0.140 0.000 0.989 1022 R CB -0.587 29.826 30.300 0.189 0.000 0.869 1022 R HN 0.711 nan 8.270 nan 0.000 0.459 1023 L N 0.537 121.823 121.223 0.105 0.000 2.418 1023 L HA -0.020 4.318 4.340 -0.003 0.000 0.218 1023 L C 1.433 178.339 176.870 0.060 0.000 1.125 1023 L CA 0.794 55.689 54.840 0.091 0.000 0.835 1023 L CB -0.206 41.908 42.059 0.093 0.000 0.953 1023 L HN 0.334 nan 8.230 nan 0.000 0.454 1024 N N -0.761 117.966 118.700 0.046 0.000 3.234 1024 N HA 0.056 4.794 4.740 -0.003 0.000 0.237 1024 N C -0.224 175.298 175.510 0.020 0.000 1.372 1024 N CA -0.352 52.715 53.050 0.028 0.000 1.273 1024 N CB 0.323 38.821 38.487 0.017 0.000 0.973 1024 N HN 0.131 nan 8.380 nan 0.000 0.898 1025 N N 0.250 118.953 118.700 0.005 0.000 2.629 1025 N HA 0.278 5.016 4.740 -0.003 0.000 0.279 1025 N C -1.517 173.978 175.510 -0.026 0.000 1.344 1025 N CA -0.367 52.680 53.050 -0.005 0.000 0.789 1025 N CB 2.437 40.913 38.487 -0.019 0.000 1.508 1025 N HN 0.236 nan 8.380 nan 0.000 0.516 1026 S N -0.775 114.911 115.700 -0.022 0.000 2.509 1026 S HA 0.486 4.954 4.470 -0.003 0.000 0.297 1026 S C -1.041 173.494 174.600 -0.108 0.000 1.118 1026 S CA -0.645 57.519 58.200 -0.060 0.000 1.074 1026 S CB 0.494 63.734 63.200 0.067 0.000 1.038 1026 S HN 0.490 nan 8.310 nan 0.000 0.498 1027 K N 2.862 123.147 120.400 -0.192 0.000 2.426 1027 K HA 0.569 4.887 4.320 -0.003 0.000 0.251 1027 K C -1.284 175.141 176.600 -0.291 0.000 0.941 1027 K CA -0.680 55.462 56.287 -0.241 0.000 0.808 1027 K CB 2.286 34.630 32.500 -0.260 0.000 1.265 1027 K HN 0.645 nan 8.250 nan 0.000 0.432 1028 I N 2.205 122.575 120.570 -0.333 0.000 2.465 1028 I HA 0.413 4.580 4.170 -0.003 0.000 0.291 1028 I C -1.606 174.279 176.117 -0.387 0.000 1.014 1028 I CA -0.735 60.391 61.300 -0.291 0.000 1.093 1028 I CB 0.955 38.840 38.000 -0.191 0.000 1.267 1028 I HN 0.588 nan 8.210 nan 0.000 0.431 1029 Y N 6.817 126.862 120.300 -0.424 0.000 2.468 1029 Y HA 0.580 5.128 4.550 -0.003 0.000 0.342 1029 Y C -0.313 175.234 175.900 -0.589 0.000 1.021 1029 Y CA -1.078 56.756 58.100 -0.443 0.000 1.079 1029 Y CB 2.023 40.224 38.460 -0.432 0.000 1.226 1029 Y HN 0.230 nan 8.280 nan 0.000 0.460 1030 I N 3.125 123.445 120.570 -0.418 0.000 2.447 1030 I HA 0.193 4.361 4.170 -0.003 0.000 0.287 1030 I C -0.432 175.426 176.117 -0.432 0.000 1.023 1030 I CA -1.080 59.872 61.300 -0.580 0.000 1.083 1030 I CB 1.346 38.794 38.000 -0.920 0.000 1.245 1030 I HN 0.782 nan 8.210 nan 0.000 0.434 1031 N N 4.986 123.382 118.700 -0.507 0.000 2.727 1031 N HA -0.209 4.529 4.740 -0.003 0.000 0.249 1031 N C 1.133 176.086 175.510 -0.927 0.000 1.048 1031 N CA 1.330 53.900 53.050 -0.801 0.000 0.714 1031 N CB -1.038 37.217 38.487 -0.387 0.000 0.959 1031 N HN 1.141 nan 8.380 nan 0.000 0.544 1032 G N -0.945 107.514 108.800 -0.568 0.000 2.179 1032 G HA2 -0.385 3.573 3.960 -0.003 0.000 0.260 1032 G HA3 -0.385 3.573 3.960 -0.003 0.000 0.260 1032 G C 0.048 174.897 174.900 -0.084 0.000 0.977 1032 G CA 0.784 45.699 45.100 -0.308 0.000 0.641 1032 G HN 0.912 nan 8.290 nan 0.000 0.533 1033 R N -0.426 120.028 120.500 -0.076 0.000 2.460 1033 R HA 0.781 5.119 4.340 -0.003 0.000 0.303 1033 R C 0.037 176.305 176.300 -0.053 0.000 0.968 1033 R CA -1.171 54.927 56.100 -0.003 0.000 0.889 1033 R CB 1.576 31.845 30.300 -0.053 0.000 1.123 1033 R HN 0.341 nan 8.270 nan 0.000 0.455 1034 L N 3.939 125.063 121.223 -0.164 0.000 2.499 1034 L HA 0.036 4.374 4.340 -0.003 0.000 0.273 1034 L C 0.212 176.874 176.870 -0.346 0.000 1.195 1034 L CA 0.348 54.839 54.840 -0.583 0.000 0.882 1034 L CB 0.458 42.200 42.059 -0.528 0.000 1.133 1034 L HN 0.856 nan 8.230 nan 0.000 0.483 1035 I N 2.204 122.552 120.570 -0.369 0.000 3.194 1035 I HA 0.275 4.443 4.170 -0.003 0.000 0.271 1035 I C 0.123 176.155 176.117 -0.142 0.000 1.150 1035 I CA 0.471 61.664 61.300 -0.179 0.000 1.440 1035 I CB -0.331 37.604 38.000 -0.109 0.000 1.276 1035 I HN 0.690 nan 8.210 nan 0.000 0.457 1036 D N 0.196 120.479 120.400 -0.196 0.000 2.654 1036 D HA 0.408 5.046 4.640 -0.003 0.000 0.231 1036 D C -1.350 174.848 176.300 -0.169 0.000 1.239 1036 D CA -0.308 53.611 54.000 -0.135 0.000 0.790 1036 D CB 1.518 42.282 40.800 -0.061 0.000 1.480 1036 D HN 0.151 nan 8.370 nan 0.000 0.442 1037 Q N 1.369 121.097 119.800 -0.120 0.000 2.345 1037 Q HA 0.666 5.004 4.340 -0.003 0.000 0.275 1037 Q C -1.416 174.551 176.000 -0.055 0.000 1.063 1037 Q CA -1.091 54.647 55.803 -0.107 0.000 0.819 1037 Q CB 2.571 31.232 28.738 -0.127 0.000 1.356 1037 Q HN 0.086 nan 8.270 nan 0.000 0.418 1038 K N 1.992 122.374 120.400 -0.030 0.000 2.498 1038 K HA 0.521 4.839 4.320 -0.003 0.000 0.254 1038 K C -2.917 173.686 176.600 0.005 0.000 0.933 1038 K CA -2.052 54.231 56.287 -0.006 0.000 0.806 1038 K CB 2.144 34.653 32.500 0.014 0.000 1.301 1038 K HN 0.498 nan 8.250 nan 0.000 0.432 1039 P HA 0.233 nan 4.420 nan 0.000 0.271 1039 P C 0.443 177.760 177.300 0.028 0.000 1.216 1039 P CA -0.092 63.016 63.100 0.014 0.000 0.776 1039 P CB 0.324 32.030 31.700 0.011 0.000 0.881 1040 I N -0.793 119.799 120.570 0.036 0.000 4.310 1040 I HA 0.129 4.297 4.170 -0.003 0.000 0.328 1040 I C 1.110 177.256 176.117 0.048 0.000 1.406 1040 I CA -0.111 61.219 61.300 0.050 0.000 1.174 1040 I CB 0.118 38.162 38.000 0.073 0.000 1.279 1040 I HN 0.120 nan 8.210 nan 0.000 0.471 1041 S N 1.646 117.369 115.700 0.040 0.000 2.469 1041 S HA -0.180 4.288 4.470 -0.003 0.000 0.238 1041 S C 1.461 176.080 174.600 0.030 0.000 0.998 1041 S CA 1.567 59.790 58.200 0.039 0.000 0.957 1041 S CB -1.061 62.163 63.200 0.039 0.000 0.764 1041 S HN 0.802 nan 8.310 nan 0.000 0.514 1042 N N 0.576 119.292 118.700 0.027 0.000 2.409 1042 N HA 0.090 4.828 4.740 -0.003 0.000 0.179 1042 N C 0.068 175.589 175.510 0.018 0.000 1.032 1042 N CA 0.090 53.153 53.050 0.021 0.000 0.898 1042 N CB -0.561 37.937 38.487 0.018 0.000 0.971 1042 N HN 0.250 nan 8.380 nan 0.000 0.441 1043 L N 0.557 121.796 121.223 0.026 0.000 2.456 1043 L HA 0.320 4.658 4.340 -0.003 0.000 0.272 1043 L C 1.381 178.257 176.870 0.009 0.000 1.189 1043 L CA 0.232 55.088 54.840 0.027 0.000 0.846 1043 L CB 0.796 42.886 42.059 0.051 0.000 1.111 1043 L HN 0.282 nan 8.230 nan 0.000 0.475 1044 G N 1.360 110.162 108.800 0.003 0.000 3.329 1044 G HA2 0.052 4.010 3.960 -0.003 0.000 0.180 1044 G HA3 0.052 4.010 3.960 -0.003 0.000 0.180 1044 G C -0.196 174.687 174.900 -0.029 0.000 1.640 1044 G CA -0.346 44.735 45.100 -0.032 0.000 1.018 1044 G HN 0.574 nan 8.290 nan 0.000 0.581 1045 N N 0.028 118.715 118.700 -0.022 0.000 2.497 1045 N HA 0.265 5.003 4.740 -0.003 0.000 0.271 1045 N C -0.599 174.959 175.510 0.079 0.000 1.142 1045 N CA 0.004 53.054 53.050 -0.001 0.000 0.965 1045 N CB 0.300 38.779 38.487 -0.014 0.000 1.077 1045 N HN 0.186 nan 8.380 nan 0.000 0.462 1046 I N 2.797 123.464 120.570 0.162 0.000 2.362 1046 I HA 0.149 4.317 4.170 -0.003 0.000 0.289 1046 I C -0.363 175.941 176.117 0.311 0.000 0.994 1046 I CA -0.630 60.821 61.300 0.252 0.000 1.158 1046 I CB 1.142 39.348 38.000 0.344 0.000 1.315 1046 I HN 0.559 nan 8.210 nan 0.000 0.451 1047 H N 6.225 125.364 119.070 0.116 0.000 2.725 1047 H HA 0.631 5.185 4.556 -0.004 0.000 0.283 1047 H C -0.290 175.073 175.328 0.057 0.000 1.110 1047 H CA -0.676 55.417 56.048 0.075 0.000 1.289 1047 H CB 0.923 30.695 29.762 0.017 0.000 1.400 1047 H HN 0.792 nan 8.280 nan 0.000 0.493 1048 A N 3.210 126.215 122.820 0.308 0.000 2.259 1048 A HA 0.354 4.672 4.320 -0.003 0.000 0.278 1048 A C 0.354 177.933 177.584 -0.008 0.000 1.107 1048 A CA -0.247 51.833 52.037 0.071 0.000 0.828 1048 A CB 0.345 19.383 19.000 0.065 0.000 1.111 1048 A HN 0.774 nan 8.150 nan 0.000 0.498 1049 S N -0.470 115.143 115.700 -0.145 0.000 2.614 1049 S HA 0.132 4.600 4.470 -0.003 0.000 0.265 1049 S C 0.424 174.986 174.600 -0.064 0.000 1.303 1049 S CA -0.048 58.068 58.200 -0.139 0.000 1.000 1049 S CB 0.378 63.462 63.200 -0.194 0.000 0.935 1049 S HN 0.598 nan 8.310 nan 0.000 0.551 1050 N N 1.029 119.701 118.700 -0.046 0.000 2.494 1050 N HA 0.077 4.815 4.740 -0.003 0.000 0.182 1050 N C -0.077 175.426 175.510 -0.012 0.000 1.076 1050 N CA 0.587 53.634 53.050 -0.006 0.000 0.908 1050 N CB -0.311 38.176 38.487 0.000 0.000 0.967 1050 N HN 0.853 nan 8.380 nan 0.000 0.449 1051 N N -0.726 117.942 118.700 -0.054 0.000 2.405 1051 N HA 0.449 5.187 4.740 -0.003 0.000 0.285 1051 N C -1.491 173.944 175.510 -0.126 0.000 1.262 1051 N CA -0.796 52.224 53.050 -0.049 0.000 0.773 1051 N CB 1.635 40.098 38.487 -0.040 0.000 1.490 1051 N HN -0.179 nan 8.380 nan 0.000 0.486 1052 I N 0.521 121.030 120.570 -0.103 0.000 2.418 1052 I HA 0.328 4.496 4.170 -0.003 0.000 0.287 1052 I C -0.973 175.000 176.117 -0.239 0.000 1.008 1052 I CA -0.782 60.364 61.300 -0.257 0.000 1.104 1052 I CB 1.758 39.645 38.000 -0.187 0.000 1.264 1052 I HN 0.561 nan 8.210 nan 0.000 0.438 1053 M N 7.814 127.212 119.600 -0.338 0.000 2.101 1053 M HA 0.458 4.936 4.480 -0.003 0.000 0.340 1053 M C -1.575 174.539 176.300 -0.310 0.000 1.057 1053 M CA -0.119 55.060 55.300 -0.201 0.000 0.984 1053 M CB 0.374 32.888 32.600 -0.143 0.000 1.560 1053 M HN 0.242 nan 8.290 nan 0.000 0.435 1054 F N 5.480 125.362 119.950 -0.114 0.000 2.350 1054 F HA 0.555 5.081 4.527 -0.003 0.000 0.365 1054 F C 0.189 175.953 175.800 -0.060 0.000 1.122 1054 F CA -0.165 57.769 58.000 -0.109 0.000 1.139 1054 F CB 0.545 39.470 39.000 -0.125 0.000 1.220 1054 F HN 0.504 nan 8.300 nan 0.000 0.499 1055 K N 3.144 123.586 120.400 0.070 0.000 2.610 1055 K HA 0.377 4.695 4.320 -0.003 0.000 0.267 1055 K C -1.995 174.650 176.600 0.075 0.000 0.943 1055 K CA -0.883 55.443 56.287 0.065 0.000 0.862 1055 K CB 1.257 33.780 32.500 0.039 0.000 1.376 1055 K HN 0.359 nan 8.250 nan 0.000 0.412 1056 L N 3.432 124.715 121.223 0.101 0.000 2.385 1056 L HA 0.253 4.591 4.340 -0.003 0.000 0.281 1056 L C -0.178 176.761 176.870 0.115 0.000 1.106 1056 L CA 0.607 55.543 54.840 0.160 0.000 0.856 1056 L CB 0.561 42.695 42.059 0.126 0.000 1.186 1056 L HN 0.458 nan 8.230 nan 0.000 0.453 1057 D N 3.023 123.508 120.400 0.142 0.000 2.481 1057 D HA 0.452 5.090 4.640 -0.003 0.000 0.246 1057 D C 0.749 177.118 176.300 0.115 0.000 1.109 1057 D CA 0.259 54.310 54.000 0.086 0.000 0.845 1057 D CB 1.687 42.510 40.800 0.037 0.000 1.160 1057 D HN 0.673 nan 8.370 nan 0.000 0.534 1058 G N 3.076 111.920 108.800 0.073 0.000 2.141 1058 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.231 1058 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.231 1058 G C 0.470 175.413 174.900 0.072 0.000 0.984 1058 G CA 0.073 45.215 45.100 0.071 0.000 0.660 1058 G HN 0.648 nan 8.290 nan 0.000 0.525 1059 C N 1.104 120.405 119.300 0.002 0.000 2.415 1059 C HA 0.648 5.106 4.460 -0.003 0.000 0.369 1059 C C 1.956 176.874 174.990 -0.120 0.000 1.279 1059 C CA -0.382 58.527 59.018 -0.181 0.000 1.886 1059 C CB -0.069 27.355 27.740 -0.527 0.000 2.468 1059 C HN 0.520 nan 8.230 nan 0.000 0.553 1060 R N 1.784 122.231 120.500 -0.088 0.000 2.276 1060 R HA 0.049 4.387 4.340 -0.003 0.000 0.196 1060 R C -0.028 176.233 176.300 -0.065 0.000 0.961 1060 R CA 0.189 56.255 56.100 -0.057 0.000 1.024 1060 R CB -0.016 30.269 30.300 -0.026 0.000 0.940 1060 R HN 0.718 nan 8.270 nan 0.000 0.480 1061 D N 0.656 121.008 120.400 -0.081 0.000 2.393 1061 D HA -0.022 4.616 4.640 -0.003 0.000 0.232 1061 D C 0.930 177.177 176.300 -0.089 0.000 1.192 1061 D CA 0.279 54.251 54.000 -0.047 0.000 0.882 1061 D CB 1.372 42.182 40.800 0.017 0.000 1.038 1061 D HN -0.159 nan 8.370 nan 0.000 0.499 1062 T N 2.853 117.309 114.554 -0.163 0.000 2.849 1062 T HA -0.207 4.141 4.350 -0.003 0.000 0.270 1062 T C 1.185 175.764 174.700 -0.202 0.000 1.066 1062 T CA 1.281 63.242 62.100 -0.232 0.000 1.130 1062 T CB -0.150 68.504 68.868 -0.357 0.000 0.864 1062 T HN 0.477 nan 8.240 nan 0.000 0.481 1063 H N -0.008 119.108 119.070 0.076 0.000 2.539 1063 H HA 0.326 4.880 4.556 -0.003 0.000 0.269 1063 H C 1.189 176.644 175.328 0.211 0.000 0.980 1063 H CA -0.023 56.109 56.048 0.140 0.000 1.152 1063 H CB -0.093 29.746 29.762 0.129 0.000 1.407 1063 H HN 0.182 nan 8.280 nan 0.000 0.564 1064 R N 1.343 121.948 120.500 0.175 0.000 2.679 1064 R HA 0.141 4.479 4.340 -0.003 0.000 0.268 1064 R C -0.717 175.680 176.300 0.161 0.000 1.044 1064 R CA 0.218 56.351 56.100 0.056 0.000 1.105 1064 R CB -0.082 30.146 30.300 -0.120 0.000 0.989 1064 R HN 0.230 nan 8.270 nan 0.000 0.447 1065 Y N 0.655 120.945 120.300 -0.016 0.000 2.713 1065 Y HA 0.593 5.141 4.550 -0.003 0.000 0.335 1065 Y C -1.238 174.577 175.900 -0.142 0.000 1.222 1065 Y CA -1.616 56.406 58.100 -0.129 0.000 1.061 1065 Y CB 0.950 39.246 38.460 -0.272 0.000 1.314 1065 Y HN 0.479 nan 8.280 nan 0.000 0.453 1066 I N -2.152 118.401 120.570 -0.028 0.000 2.994 1066 I HA 0.729 4.897 4.170 -0.003 0.000 0.306 1066 I C -2.140 173.905 176.117 -0.119 0.000 1.195 1066 I CA -1.186 60.093 61.300 -0.036 0.000 1.001 1066 I CB 2.583 40.620 38.000 0.062 0.000 1.244 1066 I HN 0.713 nan 8.210 nan 0.000 0.437 1067 W N 4.399 125.678 121.300 -0.035 0.000 2.573 1067 W HA 0.823 5.481 4.660 -0.003 0.000 0.326 1067 W C -0.639 175.938 176.519 0.096 0.000 1.049 1067 W CA -0.582 56.733 57.345 -0.051 0.000 1.220 1067 W CB 1.977 31.264 29.460 -0.289 0.000 1.373 1067 W HN 0.432 nan 8.180 nan 0.000 0.507 1068 I N 3.521 124.437 120.570 0.577 0.000 2.913 1068 I HA 0.542 4.710 4.170 -0.003 0.000 0.302 1068 I C -1.340 175.128 176.117 0.586 0.000 1.246 1068 I CA -0.947 60.740 61.300 0.645 0.000 1.010 1068 I CB 2.029 40.269 38.000 0.401 0.000 1.259 1068 I HN 0.582 nan 8.210 nan 0.000 0.434 1069 K N 3.700 124.426 120.400 0.543 0.000 2.579 1069 K HA 0.387 4.705 4.320 -0.003 0.000 0.284 1069 K C -1.385 175.449 176.600 0.389 0.000 0.990 1069 K CA -0.690 55.704 56.287 0.178 0.000 0.880 1069 K CB 0.883 33.102 32.500 -0.470 0.000 1.488 1069 K HN 0.413 nan 8.250 nan 0.000 0.425 1070 Y N -1.020 119.492 120.300 0.354 0.000 3.168 1070 Y HA -0.223 4.325 4.550 -0.004 0.000 0.207 1070 Y C -0.495 175.710 175.900 0.508 0.000 1.280 1070 Y CA -0.028 58.307 58.100 0.392 0.000 1.235 1070 Y CB -2.499 36.200 38.460 0.398 0.000 1.370 1070 Y HN 0.615 nan 8.280 nan 0.000 0.537 1071 F N 2.165 122.408 119.950 0.488 0.000 2.484 1071 F HA 0.440 4.964 4.527 -0.004 0.000 0.360 1071 F C 0.512 176.528 175.800 0.360 0.000 1.101 1071 F CA -0.179 58.106 58.000 0.476 0.000 1.251 1071 F CB 0.476 39.710 39.000 0.390 0.000 1.132 1071 F HN 0.181 nan 8.300 nan 0.000 0.570 1072 N N 5.191 123.606 118.700 -0.475 0.000 2.277 1072 N HA 0.457 5.195 4.740 -0.003 0.000 0.286 1072 N C -2.106 172.977 175.510 -0.711 0.000 1.140 1072 N CA -0.583 52.197 53.050 -0.450 0.000 0.799 1072 N CB 2.481 40.775 38.487 -0.321 0.000 1.596 1072 N HN 0.508 nan 8.380 nan 0.000 0.473 1073 L N 1.715 122.613 121.223 -0.542 0.000 2.365 1073 L HA 0.667 5.005 4.340 -0.003 0.000 0.273 1073 L C -1.661 174.943 176.870 -0.444 0.000 1.000 1073 L CA -0.368 54.309 54.840 -0.272 0.000 0.819 1073 L CB 1.089 43.199 42.059 0.085 0.000 1.284 1073 L HN 0.420 nan 8.230 nan 0.000 0.418 1074 F N 1.801 121.781 119.950 0.050 0.000 2.551 1074 F HA 0.366 4.891 4.527 -0.004 0.000 0.316 1074 F C 0.130 176.009 175.800 0.131 0.000 1.089 1074 F CA -0.801 57.239 58.000 0.068 0.000 0.915 1074 F CB 1.690 40.690 39.000 0.001 0.000 1.186 1074 F HN 0.572 nan 8.300 nan 0.000 0.456 1075 D N 1.106 121.693 120.400 0.312 0.000 2.881 1075 D HA 0.161 4.799 4.640 -0.003 0.000 0.240 1075 D C -0.457 175.990 176.300 0.245 0.000 1.249 1075 D CA -0.228 53.938 54.000 0.277 0.000 0.839 1075 D CB -0.220 40.709 40.800 0.214 0.000 1.042 1075 D HN 0.731 nan 8.370 nan 0.000 0.475 1076 K N -1.765 118.770 120.400 0.225 0.000 2.615 1076 K HA 0.314 4.632 4.320 -0.003 0.000 0.291 1076 K C -1.217 175.405 176.600 0.037 0.000 1.017 1076 K CA -1.052 55.313 56.287 0.129 0.000 0.882 1076 K CB 1.282 33.835 32.500 0.088 0.000 1.522 1076 K HN -0.089 nan 8.250 nan 0.000 0.412 1077 E N 2.703 122.894 120.200 -0.015 0.000 2.105 1077 E HA 0.178 4.526 4.350 -0.003 0.000 0.285 1077 E C -0.747 175.767 176.600 -0.143 0.000 1.055 1077 E CA -0.614 55.726 56.400 -0.100 0.000 0.843 1077 E CB 0.589 30.247 29.700 -0.069 0.000 1.067 1077 E HN 0.456 nan 8.360 nan 0.000 0.398 1078 L N 4.958 126.032 121.223 -0.249 0.000 2.461 1078 L HA 0.112 4.450 4.340 -0.003 0.000 0.272 1078 L C 1.082 177.798 176.870 -0.258 0.000 1.197 1078 L CA -0.239 54.414 54.840 -0.312 0.000 0.836 1078 L CB 0.275 42.031 42.059 -0.504 0.000 1.105 1078 L HN 0.663 nan 8.230 nan 0.000 0.477 1079 N N 1.283 119.857 118.700 -0.211 0.000 2.447 1079 N HA 0.135 4.873 4.740 -0.003 0.000 0.271 1079 N C 0.162 175.548 175.510 -0.207 0.000 1.226 1079 N CA -0.843 52.112 53.050 -0.158 0.000 0.980 1079 N CB 1.240 39.668 38.487 -0.097 0.000 1.206 1079 N HN 0.572 nan 8.380 nan 0.000 0.558 1080 E N -0.040 120.078 120.200 -0.137 0.000 2.097 1080 E HA -0.222 4.126 4.350 -0.003 0.000 0.196 1080 E C 1.554 178.076 176.600 -0.130 0.000 1.000 1080 E CA 1.183 57.501 56.400 -0.136 0.000 0.804 1080 E CB 0.008 29.692 29.700 -0.026 0.000 0.740 1080 E HN 0.499 nan 8.360 nan 0.000 0.454 1081 K N 1.421 121.764 120.400 -0.095 0.000 2.026 1081 K HA -0.183 4.135 4.320 -0.003 0.000 0.208 1081 K C 1.833 178.376 176.600 -0.094 0.000 1.048 1081 K CA 1.458 57.701 56.287 -0.073 0.000 0.929 1081 K CB -0.067 32.400 32.500 -0.055 0.000 0.713 1081 K HN 0.172 nan 8.250 nan 0.000 0.439 1082 E N 0.313 120.435 120.200 -0.129 0.000 2.085 1082 E HA -0.164 4.184 4.350 -0.003 0.000 0.194 1082 E C 2.181 178.676 176.600 -0.174 0.000 0.994 1082 E CA 1.293 57.601 56.400 -0.153 0.000 0.801 1082 E CB -0.147 29.430 29.700 -0.205 0.000 0.743 1082 E HN 0.324 nan 8.360 nan 0.000 0.453 1083 I N 1.173 121.601 120.570 -0.237 0.000 2.252 1083 I HA -0.260 3.908 4.170 -0.003 0.000 0.245 1083 I C 2.630 178.717 176.117 -0.050 0.000 1.102 1083 I CA 1.046 62.209 61.300 -0.229 0.000 1.385 1083 I CB -0.228 37.459 38.000 -0.522 0.000 1.064 1083 I HN 0.037 nan 8.210 nan 0.000 0.414 1084 K N 1.114 121.478 120.400 -0.059 0.000 2.026 1084 K HA -0.226 4.092 4.320 -0.003 0.000 0.208 1084 K C 1.634 178.264 176.600 0.050 0.000 1.048 1084 K CA 1.986 58.294 56.287 0.036 0.000 0.929 1084 K CB -0.037 32.470 32.500 0.011 0.000 0.713 1084 K HN 0.178 nan 8.250 nan 0.000 0.439 1085 D N 0.836 121.231 120.400 -0.009 0.000 2.144 1085 D HA -0.152 4.486 4.640 -0.003 0.000 0.199 1085 D C 1.871 178.151 176.300 -0.032 0.000 0.984 1085 D CA 0.661 54.647 54.000 -0.023 0.000 0.834 1085 D CB -0.155 40.624 40.800 -0.035 0.000 0.955 1085 D HN 0.125 nan 8.370 nan 0.000 0.465 1086 L N 0.128 121.336 121.223 -0.025 0.000 2.017 1086 L HA -0.182 4.156 4.340 -0.003 0.000 0.208 1086 L C 2.203 178.967 176.870 -0.178 0.000 1.073 1086 L CA 1.485 56.306 54.840 -0.032 0.000 0.745 1086 L CB -1.023 41.076 42.059 0.066 0.000 0.894 1086 L HN 0.066 nan 8.230 nan 0.000 0.432 1087 Y N 0.582 120.643 120.300 -0.398 0.000 2.128 1087 Y HA -0.262 4.286 4.550 -0.003 0.000 0.284 1087 Y C 2.314 178.114 175.900 -0.168 0.000 1.154 1087 Y CA 2.034 59.788 58.100 -0.577 0.000 1.149 1087 Y CB -0.459 37.840 38.460 -0.269 0.000 0.976 1087 Y HN 0.333 nan 8.280 nan 0.000 0.505 1088 D N -0.308 119.980 120.400 -0.187 0.000 2.117 1088 D HA -0.163 4.474 4.640 -0.003 0.000 0.198 1088 D C 1.786 177.974 176.300 -0.186 0.000 0.982 1088 D CA 1.471 55.330 54.000 -0.235 0.000 0.828 1088 D CB -0.460 40.272 40.800 -0.114 0.000 0.967 1088 D HN 0.375 nan 8.370 nan 0.000 0.464 1089 N N 0.772 119.392 118.700 -0.134 0.000 2.084 1089 N HA -0.103 4.634 4.740 -0.003 0.000 0.190 1089 N C 1.534 176.950 175.510 -0.158 0.000 1.030 1089 N CA 0.845 53.821 53.050 -0.124 0.000 0.849 1089 N CB -0.136 38.297 38.487 -0.091 0.000 1.012 1089 N HN 0.286 nan 8.380 nan 0.000 0.423 1090 Q N -0.517 119.196 119.800 -0.145 0.000 2.482 1090 Q HA 0.176 4.514 4.340 -0.003 0.000 0.209 1090 Q C 1.058 176.897 176.000 -0.268 0.000 0.961 1090 Q CA 0.233 55.925 55.803 -0.185 0.000 0.945 1090 Q CB 0.227 29.009 28.738 0.073 0.000 1.012 1090 Q HN 0.246 nan 8.270 nan 0.000 0.515 1091 S N 1.181 116.737 115.700 -0.240 0.000 2.489 1091 S HA -0.039 4.429 4.470 -0.003 0.000 0.228 1091 S C 0.326 174.782 174.600 -0.240 0.000 0.995 1091 S CA 0.040 58.050 58.200 -0.317 0.000 0.934 1091 S CB 0.068 63.088 63.200 -0.300 0.000 0.771 1091 S HN 0.456 nan 8.310 nan 0.000 0.522 1092 N N 1.365 119.958 118.700 -0.178 0.000 2.725 1092 N HA -0.142 4.596 4.740 -0.003 0.000 0.251 1092 N C 0.950 176.392 175.510 -0.112 0.000 1.031 1092 N CA 0.837 53.816 53.050 -0.118 0.000 0.720 1092 N CB -1.684 36.777 38.487 -0.042 0.000 0.930 1092 N HN 0.619 nan 8.380 nan 0.000 0.543 1093 S N -1.811 113.817 115.700 -0.120 0.000 2.488 1093 S HA -0.119 4.349 4.470 -0.003 0.000 0.246 1093 S C 1.864 176.413 174.600 -0.085 0.000 0.992 1093 S CA 1.179 59.318 58.200 -0.102 0.000 0.963 1093 S CB -0.228 62.912 63.200 -0.100 0.000 0.754 1093 S HN 0.557 nan 8.310 nan 0.000 0.519 1094 G N 0.389 109.133 108.800 -0.093 0.000 2.920 1094 G HA2 0.360 4.318 3.960 -0.003 0.000 0.208 1094 G HA3 0.360 4.318 3.960 -0.003 0.000 0.208 1094 G C 0.357 175.192 174.900 -0.108 0.000 1.159 1094 G CA -0.184 44.863 45.100 -0.088 0.000 0.784 1094 G HN 0.569 nan 8.290 nan 0.000 0.535 1095 I N 0.803 121.296 120.570 -0.128 0.000 2.474 1095 I HA 0.330 4.498 4.170 -0.003 0.000 0.294 1095 I C -0.609 175.449 176.117 -0.098 0.000 1.005 1095 I CA -1.038 60.166 61.300 -0.161 0.000 1.113 1095 I CB 2.310 40.124 38.000 -0.309 0.000 1.289 1095 I HN -0.204 nan 8.210 nan 0.000 0.436 1096 L N 6.673 127.832 121.223 -0.106 0.000 2.439 1096 L HA 0.267 4.605 4.340 -0.003 0.000 0.269 1096 L C 0.095 176.935 176.870 -0.051 0.000 1.179 1096 L CA 0.277 55.063 54.840 -0.090 0.000 0.828 1096 L CB 0.127 42.095 42.059 -0.151 0.000 1.106 1096 L HN 0.409 nan 8.230 nan 0.000 0.467 1097 K N 1.152 121.533 120.400 -0.031 0.000 2.259 1097 K HA 0.407 4.725 4.320 -0.003 0.000 0.249 1097 K C -0.871 175.716 176.600 -0.022 0.000 0.942 1097 K CA -0.913 55.380 56.287 0.008 0.000 0.816 1097 K CB 1.655 34.169 32.500 0.023 0.000 1.155 1097 K HN 0.601 nan 8.250 nan 0.000 0.428 1098 D N -0.134 120.267 120.400 0.002 0.000 2.447 1098 D HA 0.002 4.640 4.640 -0.003 0.000 0.265 1098 D C 1.097 177.402 176.300 0.008 0.000 1.250 1098 D CA -0.478 53.506 54.000 -0.025 0.000 1.046 1098 D CB 0.131 40.967 40.800 0.061 0.000 1.095 1098 D HN 0.371 nan 8.370 nan 0.000 0.555 1099 F N -0.568 119.223 119.950 -0.265 0.000 2.154 1099 F HA -0.083 4.442 4.527 -0.004 0.000 0.301 1099 F C 1.545 177.128 175.800 -0.363 0.000 1.087 1099 F CA 1.213 58.945 58.000 -0.447 0.000 1.274 1099 F CB -0.257 38.248 39.000 -0.825 0.000 1.009 1099 F HN 0.405 nan 8.300 nan 0.000 0.485 1100 W N -0.329 121.003 121.300 0.053 0.000 2.800 1100 W HA 0.252 4.910 4.660 -0.004 0.000 0.249 1100 W C 1.947 178.499 176.519 0.055 0.000 1.294 1100 W CA 0.600 57.924 57.345 -0.036 0.000 1.402 1100 W CB -0.368 29.125 29.460 0.055 0.000 1.126 1100 W HN 0.246 nan 8.180 nan 0.000 0.652 1101 G N -0.529 108.424 108.800 0.255 0.000 2.179 1101 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.220 1101 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.220 1101 G C 0.053 175.085 174.900 0.221 0.000 0.990 1101 G CA -0.170 45.105 45.100 0.292 0.000 0.646 1101 G HN 0.143 nan 8.290 nan 0.000 0.517 1102 D N -0.216 120.329 120.400 0.242 0.000 2.398 1102 D HA 0.431 5.069 4.640 -0.003 0.000 0.247 1102 D C 0.488 176.802 176.300 0.024 0.000 1.227 1102 D CA -0.113 53.904 54.000 0.028 0.000 0.980 1102 D CB 0.238 41.093 40.800 0.092 0.000 1.106 1102 D HN 0.073 nan 8.370 nan 0.000 0.493 1103 Y N 0.428 120.716 120.300 -0.020 0.000 2.511 1103 Y HA 0.095 4.643 4.550 -0.003 0.000 0.332 1103 Y C 0.749 176.638 175.900 -0.019 0.000 1.177 1103 Y CA -0.511 57.560 58.100 -0.049 0.000 1.422 1103 Y CB -0.169 38.257 38.460 -0.057 0.000 1.271 1103 Y HN 0.136 nan 8.280 nan 0.000 0.550 1104 L N 4.022 125.291 121.223 0.077 0.000 2.426 1104 L HA 0.201 4.539 4.340 -0.003 0.000 0.271 1104 L C -0.383 176.470 176.870 -0.027 0.000 1.169 1104 L CA 0.166 54.972 54.840 -0.056 0.000 0.836 1104 L CB 0.389 42.268 42.059 -0.300 0.000 1.112 1104 L HN 0.701 nan 8.230 nan 0.000 0.465 1105 Q N 2.444 122.296 119.800 0.086 0.000 2.458 1105 Q HA 0.404 4.742 4.340 -0.003 0.000 0.282 1105 Q C -1.564 174.419 176.000 -0.028 0.000 1.106 1105 Q CA -0.796 55.024 55.803 0.027 0.000 0.814 1105 Q CB 1.955 30.766 28.738 0.121 0.000 1.425 1105 Q HN 0.478 nan 8.270 nan 0.000 0.437 1106 Y N 0.775 121.117 120.300 0.069 0.000 2.300 1106 Y HA 0.032 4.580 4.550 -0.003 0.000 0.328 1106 Y C 0.312 176.231 175.900 0.032 0.000 1.270 1106 Y CA 0.191 58.324 58.100 0.054 0.000 1.352 1106 Y CB 0.723 39.204 38.460 0.035 0.000 1.286 1106 Y HN 0.643 nan 8.280 nan 0.000 0.536 1107 D N 0.240 120.763 120.400 0.205 0.000 2.751 1107 D HA -0.244 4.394 4.640 -0.003 0.000 0.233 1107 D C -0.373 175.925 176.300 -0.003 0.000 1.149 1107 D CA 0.939 54.991 54.000 0.087 0.000 0.682 1107 D CB -0.772 40.073 40.800 0.075 0.000 1.068 1107 D HN 0.482 nan 8.370 nan 0.000 0.429 1108 K N 0.734 121.087 120.400 -0.077 0.000 2.545 1108 K HA 0.340 4.658 4.320 -0.003 0.000 0.252 1108 K C -2.793 173.516 176.600 -0.486 0.000 0.948 1108 K CA -1.773 54.340 56.287 -0.291 0.000 0.827 1108 K CB 2.404 34.673 32.500 -0.386 0.000 1.128 1108 K HN -0.251 nan 8.250 nan 0.000 0.429 1109 P HA 0.056 nan 4.420 nan 0.000 0.271 1109 P C -1.381 175.685 177.300 -0.390 0.000 1.220 1109 P CA 0.082 63.019 63.100 -0.271 0.000 0.768 1109 P CB 0.318 31.898 31.700 -0.201 0.000 0.848 1110 Y N 1.262 121.558 120.300 -0.006 0.000 2.477 1110 Y HA 0.373 4.920 4.550 -0.004 0.000 0.347 1110 Y C 0.169 175.990 175.900 -0.131 0.000 0.981 1110 Y CA -0.686 57.427 58.100 0.022 0.000 1.033 1110 Y CB 1.521 40.142 38.460 0.268 0.000 1.245 1110 Y HN 0.285 nan 8.280 nan 0.000 0.455 1111 Y N 3.117 123.516 120.300 0.166 0.000 2.304 1111 Y HA 0.377 4.925 4.550 -0.003 0.000 0.328 1111 Y C 0.108 175.930 175.900 -0.130 0.000 1.123 1111 Y CA -0.644 57.464 58.100 0.013 0.000 1.218 1111 Y CB 0.796 39.287 38.460 0.051 0.000 1.207 1111 Y HN 0.312 nan 8.280 nan 0.000 0.495 1112 M N 4.480 124.003 119.600 -0.129 0.000 2.277 1112 M HA 0.348 4.826 4.480 -0.003 0.000 0.350 1112 M C -1.108 175.136 176.300 -0.094 0.000 1.180 1112 M CA -0.821 54.301 55.300 -0.297 0.000 1.103 1112 M CB 1.226 33.416 32.600 -0.684 0.000 1.577 1112 M HN 0.553 nan 8.290 nan 0.000 0.459 1113 L N 3.724 124.904 121.223 -0.072 0.000 2.409 1113 L HA 0.479 4.817 4.340 -0.003 0.000 0.272 1113 L C -0.713 176.115 176.870 -0.069 0.000 0.980 1113 L CA -0.095 54.694 54.840 -0.084 0.000 0.826 1113 L CB 1.427 43.357 42.059 -0.216 0.000 1.268 1113 L HN 0.718 nan 8.230 nan 0.000 0.407 1114 N N 5.337 123.906 118.700 -0.217 0.000 2.437 1114 N HA 0.137 4.875 4.740 -0.003 0.000 0.259 1114 N C 0.568 175.905 175.510 -0.288 0.000 0.983 1114 N CA -0.555 52.160 53.050 -0.557 0.000 0.937 1114 N CB 1.235 39.250 38.487 -0.787 0.000 1.122 1114 N HN 0.688 nan 8.380 nan 0.000 0.499 1115 L N 3.741 124.814 121.223 -0.249 0.000 2.261 1115 L HA -0.177 4.161 4.340 -0.003 0.000 0.216 1115 L C 1.722 178.561 176.870 -0.053 0.000 1.114 1115 L CA 1.315 56.084 54.840 -0.119 0.000 0.777 1115 L CB -1.537 40.467 42.059 -0.092 0.000 0.910 1115 L HN 0.664 nan 8.230 nan 0.000 0.440 1116 Y N 0.371 120.601 120.300 -0.116 0.000 2.242 1116 Y HA -0.132 4.416 4.550 -0.003 0.000 0.291 1116 Y C 0.979 176.880 175.900 0.002 0.000 1.137 1116 Y CA 1.222 59.320 58.100 -0.003 0.000 1.181 1116 Y CB 0.370 38.909 38.460 0.132 0.000 0.989 1116 Y HN 0.100 nan 8.280 nan 0.000 0.527 1117 D N -0.966 119.453 120.400 0.032 0.000 2.363 1117 D HA 0.235 4.872 4.640 -0.003 0.000 0.258 1117 D C -2.397 173.834 176.300 -0.116 0.000 1.259 1117 D CA -2.085 51.867 54.000 -0.081 0.000 0.921 1117 D CB 1.273 42.028 40.800 -0.074 0.000 1.201 1117 D HN 0.013 nan 8.370 nan 0.000 0.524 1118 P HA 0.007 nan 4.420 nan 0.000 0.225 1118 P C 0.833 178.093 177.300 -0.067 0.000 1.148 1118 P CA 0.521 63.566 63.100 -0.090 0.000 0.779 1118 P CB 0.348 32.005 31.700 -0.072 0.000 0.780 1119 N N -0.632 118.031 118.700 -0.062 0.000 2.461 1119 N HA 0.020 4.758 4.740 -0.003 0.000 0.188 1119 N C 0.437 175.924 175.510 -0.038 0.000 1.134 1119 N CA 0.721 53.752 53.050 -0.033 0.000 0.878 1119 N CB 0.213 38.682 38.487 -0.031 0.000 0.972 1119 N HN 0.329 nan 8.380 nan 0.000 0.456 1120 K N 0.117 120.466 120.400 -0.085 0.000 2.295 1120 K HA 0.374 4.692 4.320 -0.003 0.000 0.239 1120 K C -0.999 175.553 176.600 -0.081 0.000 0.991 1120 K CA -0.801 55.388 56.287 -0.163 0.000 0.845 1120 K CB 1.789 34.140 32.500 -0.248 0.000 1.197 1120 K HN -0.071 nan 8.250 nan 0.000 0.441 1121 Y N -2.969 117.283 120.300 -0.080 0.000 2.605 1121 Y HA 0.563 5.111 4.550 -0.004 0.000 0.343 1121 Y C -0.621 175.229 175.900 -0.084 0.000 1.036 1121 Y CA -1.519 56.541 58.100 -0.066 0.000 1.065 1121 Y CB 0.400 38.834 38.460 -0.042 0.000 1.288 1121 Y HN 0.109 nan 8.280 nan 0.000 0.481 1122 V N 2.457 122.460 119.914 0.150 0.000 2.614 1122 V HA 0.303 4.421 4.120 -0.003 0.000 0.291 1122 V C -0.510 175.631 176.094 0.078 0.000 1.049 1122 V CA 0.380 62.713 62.300 0.055 0.000 1.038 1122 V CB 0.828 32.675 31.823 0.041 0.000 0.980 1122 V HN 0.873 nan 8.190 nan 0.000 0.481 1123 D N 2.702 123.008 120.400 -0.158 0.000 2.610 1123 D HA 0.619 5.257 4.640 -0.003 0.000 0.271 1123 D C -1.444 174.796 176.300 -0.100 0.000 1.174 1123 D CA -0.299 53.611 54.000 -0.151 0.000 0.949 1123 D CB 2.514 43.131 40.800 -0.304 0.000 1.430 1123 D HN 0.250 nan 8.370 nan 0.000 0.467 1124 V N 2.865 122.810 119.914 0.052 0.000 2.487 1124 V HA 0.293 4.411 4.120 -0.003 0.000 0.298 1124 V C 1.048 177.238 176.094 0.159 0.000 1.028 1124 V CA -0.753 61.621 62.300 0.124 0.000 0.860 1124 V CB 1.408 33.249 31.823 0.029 0.000 0.991 1124 V HN 0.618 nan 8.190 nan 0.000 0.427 1125 N N 4.412 123.148 118.700 0.060 0.000 2.062 1125 N HA -0.043 4.695 4.740 -0.003 0.000 0.191 1125 N C 0.358 175.770 175.510 -0.163 0.000 1.042 1125 N CA 1.553 54.487 53.050 -0.193 0.000 0.845 1125 N CB 0.156 38.090 38.487 -0.923 0.000 1.024 1125 N HN 0.763 nan 8.380 nan 0.000 0.424 1126 N N -1.319 117.261 118.700 -0.200 0.000 2.591 1126 N HA 0.195 4.933 4.740 -0.003 0.000 0.263 1126 N C -1.682 173.731 175.510 -0.161 0.000 1.308 1126 N CA -0.543 52.416 53.050 -0.152 0.000 0.837 1126 N CB 2.230 40.634 38.487 -0.138 0.000 1.548 1126 N HN -0.190 nan 8.380 nan 0.000 0.493 1127 V N 0.700 120.499 119.914 -0.193 0.000 2.686 1127 V HA 0.694 4.812 4.120 -0.003 0.000 0.295 1127 V C 0.923 176.941 176.094 -0.127 0.000 1.055 1127 V CA 0.749 62.901 62.300 -0.248 0.000 1.050 1127 V CB 0.590 32.154 31.823 -0.430 0.000 0.984 1127 V HN 0.965 nan 8.190 nan 0.000 0.482 1128 G N 3.628 112.379 108.800 -0.081 0.000 2.515 1128 G HA2 -0.065 3.893 3.960 -0.003 0.000 0.686 1128 G HA3 -0.065 3.893 3.960 -0.003 0.000 0.686 1128 G C -0.106 174.789 174.900 -0.008 0.000 1.274 1128 G CA -0.205 44.879 45.100 -0.027 0.000 0.874 1128 G HN 0.723 nan 8.290 nan 0.000 0.631 1129 I N 0.260 120.835 120.570 0.007 0.000 2.567 1129 I HA 0.003 4.171 4.170 -0.003 0.000 0.257 1129 I C 2.452 178.580 176.117 0.019 0.000 1.184 1129 I CA 1.522 62.832 61.300 0.018 0.000 1.451 1129 I CB -0.130 37.880 38.000 0.016 0.000 1.089 1129 I HN 0.540 nan 8.210 nan 0.000 0.441 1130 R N -0.125 120.378 120.500 0.006 0.000 2.317 1130 R HA 0.234 4.572 4.340 -0.003 0.000 0.208 1130 R C 0.937 177.240 176.300 0.006 0.000 0.914 1130 R CA 0.419 56.524 56.100 0.008 0.000 1.060 1130 R CB 0.027 30.325 30.300 -0.004 0.000 1.015 1130 R HN 0.411 nan 8.270 nan 0.000 0.498 1131 G N -0.000 108.793 108.800 -0.012 0.000 2.887 1131 G HA2 0.486 4.444 3.960 -0.003 0.000 0.277 1131 G HA3 0.486 4.444 3.960 -0.003 0.000 0.277 1131 G C -1.172 173.749 174.900 0.034 0.000 1.346 1131 G CA -0.442 44.606 45.100 -0.088 0.000 1.058 1131 G HN 0.165 nan 8.290 nan 0.000 0.535 1132 Y N -3.144 117.174 120.300 0.030 0.000 2.677 1132 Y HA 0.695 5.243 4.550 -0.004 0.000 0.334 1132 Y C -0.796 175.209 175.900 0.174 0.000 1.196 1132 Y CA -1.791 56.353 58.100 0.073 0.000 1.059 1132 Y CB 0.912 39.399 38.460 0.045 0.000 1.315 1132 Y HN 0.515 nan 8.280 nan 0.000 0.455 1133 M N 3.025 122.911 119.600 0.477 0.000 2.367 1133 M HA 0.537 5.015 4.480 -0.003 0.000 0.339 1133 M C -1.355 175.332 176.300 0.645 0.000 1.177 1133 M CA -0.661 54.906 55.300 0.445 0.000 1.068 1133 M CB 1.558 34.336 32.600 0.297 0.000 1.602 1133 M HN 0.846 nan 8.290 nan 0.000 0.457 1134 Y N -0.119 120.375 120.300 0.322 0.000 2.670 1134 Y HA 0.696 5.243 4.550 -0.003 0.000 0.334 1134 Y C -2.055 173.931 175.900 0.143 0.000 1.185 1134 Y CA -1.624 56.638 58.100 0.270 0.000 1.053 1134 Y CB 0.931 39.595 38.460 0.341 0.000 1.298 1134 Y HN 0.530 nan 8.280 nan 0.000 0.459 1135 L N 2.907 124.172 121.223 0.071 0.000 2.275 1135 L HA 0.515 4.853 4.340 -0.003 0.000 0.288 1135 L C -0.196 176.536 176.870 -0.230 0.000 1.046 1135 L CA -0.621 54.117 54.840 -0.171 0.000 0.805 1135 L CB 1.482 43.386 42.059 -0.258 0.000 1.193 1135 L HN 0.719 nan 8.230 nan 0.000 0.426 1136 K N 2.018 122.096 120.400 -0.537 0.000 2.203 1136 K HA 0.557 4.875 4.320 -0.003 0.000 0.251 1136 K C 0.691 176.921 176.600 -0.617 0.000 0.944 1136 K CA -0.299 55.665 56.287 -0.538 0.000 0.829 1136 K CB 1.733 33.809 32.500 -0.707 0.000 1.125 1136 K HN 0.621 nan 8.250 nan 0.000 0.430 1137 G N 3.230 111.867 108.800 -0.271 0.000 2.448 1137 G HA2 -0.238 3.720 3.960 -0.003 0.000 1.023 1137 G HA3 -0.238 3.720 3.960 -0.003 0.000 1.023 1137 G C -2.041 172.802 174.900 -0.095 0.000 1.373 1137 G CA -0.284 44.733 45.100 -0.138 0.000 0.841 1137 G HN 0.606 nan 8.290 nan 0.000 0.583 1138 P HA 0.154 nan 4.420 nan 0.000 0.267 1138 P C -0.004 177.403 177.300 0.178 0.000 1.209 1138 P CA 0.036 63.178 63.100 0.070 0.000 0.763 1138 P CB 0.621 32.360 31.700 0.065 0.000 0.816 1139 R N 2.328 122.928 120.500 0.166 0.000 2.582 1139 R HA 0.410 4.748 4.340 -0.003 0.000 0.271 1139 R C 1.331 177.700 176.300 0.115 0.000 1.078 1139 R CA -0.037 56.193 56.100 0.217 0.000 1.127 1139 R CB 0.288 30.671 30.300 0.137 0.000 1.038 1139 R HN 0.593 nan 8.270 nan 0.000 0.500 1140 G N 0.338 109.177 108.800 0.065 0.000 2.527 1140 G HA2 0.071 4.029 3.960 -0.003 0.000 0.279 1140 G HA3 0.071 4.029 3.960 -0.003 0.000 0.279 1140 G C -0.816 174.118 174.900 0.057 0.000 1.374 1140 G CA -0.235 44.893 45.100 0.047 0.000 1.053 1140 G HN 0.486 nan 8.290 nan 0.000 0.539 1141 S N -1.789 113.946 115.700 0.058 0.000 2.548 1141 S HA 0.540 5.008 4.470 -0.003 0.000 0.276 1141 S C -0.677 173.972 174.600 0.081 0.000 1.129 1141 S CA -0.413 57.834 58.200 0.077 0.000 0.931 1141 S CB 1.336 64.575 63.200 0.066 0.000 1.068 1141 S HN 1.357 nan 8.310 nan 0.000 0.480 1142 V N 3.380 123.366 119.914 0.121 0.000 2.628 1142 V HA 0.959 5.076 4.120 -0.003 0.000 0.306 1142 V C -0.539 175.679 176.094 0.206 0.000 1.045 1142 V CA -0.865 61.520 62.300 0.142 0.000 0.905 1142 V CB 0.996 32.887 31.823 0.113 0.000 0.997 1142 V HN 1.095 nan 8.190 nan 0.000 0.436 1143 M N 2.072 121.732 119.600 0.099 0.000 2.732 1143 M HA 0.758 5.236 4.480 -0.003 0.000 0.272 1143 M C -1.259 174.701 176.300 -0.567 0.000 1.203 1143 M CA -0.408 54.748 55.300 -0.240 0.000 0.841 1143 M CB 2.318 34.842 32.600 -0.126 0.000 1.685 1143 M HN 0.460 nan 8.290 nan 0.000 0.492 1144 T N 1.095 115.083 114.554 -0.943 0.000 3.186 1144 T HA 0.340 4.688 4.350 -0.003 0.000 0.320 1144 T C -0.772 173.691 174.700 -0.394 0.000 0.955 1144 T CA -0.408 61.321 62.100 -0.618 0.000 1.030 1144 T CB 1.444 69.905 68.868 -0.678 0.000 1.013 1144 T HN 0.821 nan 8.240 nan 0.000 0.454 1145 T N 4.197 118.619 114.554 -0.220 0.000 2.723 1145 T HA -0.078 4.270 4.350 -0.003 0.000 0.260 1145 T C 1.292 175.915 174.700 -0.129 0.000 1.019 1145 T CA 0.967 62.982 62.100 -0.142 0.000 1.155 1145 T CB -0.318 68.493 68.868 -0.096 0.000 1.024 1145 T HN 0.885 nan 8.240 nan 0.000 0.491 1146 N N 1.277 119.917 118.700 -0.100 0.000 2.815 1146 N HA -0.199 4.539 4.740 -0.003 0.000 0.247 1146 N C 0.406 175.857 175.510 -0.099 0.000 1.030 1146 N CA 1.718 54.716 53.050 -0.087 0.000 0.881 1146 N CB -1.212 37.217 38.487 -0.097 0.000 1.134 1146 N HN 0.770 nan 8.380 nan 0.000 0.582 1147 I N -2.366 118.154 120.570 -0.083 0.000 3.673 1147 I HA 0.165 4.333 4.170 -0.003 0.000 0.281 1147 I C -0.028 176.240 176.117 0.253 0.000 1.182 1147 I CA 0.276 61.591 61.300 0.026 0.000 1.391 1147 I CB 0.245 38.260 38.000 0.026 0.000 1.383 1147 I HN 0.193 nan 8.210 nan 0.000 0.456 1148 Y N 0.297 120.648 120.300 0.085 0.000 2.592 1148 Y HA 0.752 5.300 4.550 -0.004 0.000 0.334 1148 Y C -1.712 174.211 175.900 0.039 0.000 1.136 1148 Y CA -1.921 56.222 58.100 0.072 0.000 1.042 1148 Y CB 1.382 39.858 38.460 0.027 0.000 1.325 1148 Y HN -0.092 nan 8.280 nan 0.000 0.457 1149 L N 3.643 125.031 121.223 0.276 0.000 2.611 1149 L HA 0.609 4.947 4.340 -0.003 0.000 0.263 1149 L C -2.215 174.792 176.870 0.228 0.000 0.969 1149 L CA -0.533 54.417 54.840 0.184 0.000 0.894 1149 L CB 1.345 43.456 42.059 0.087 0.000 1.229 1149 L HN 0.945 nan 8.230 nan 0.000 0.416 1150 N N 1.482 120.338 118.700 0.260 0.000 2.629 1150 N HA 0.657 5.395 4.740 -0.003 0.000 0.279 1150 N C -1.119 174.531 175.510 0.234 0.000 1.344 1150 N CA -0.952 52.260 53.050 0.270 0.000 0.789 1150 N CB 1.674 40.394 38.487 0.389 0.000 1.508 1150 N HN 0.396 nan 8.380 nan 0.000 0.516 1151 S N 0.020 115.855 115.700 0.224 0.000 2.565 1151 S HA 0.173 4.641 4.470 -0.003 0.000 0.276 1151 S C 0.050 174.757 174.600 0.179 0.000 1.326 1151 S CA -0.540 57.748 58.200 0.148 0.000 1.045 1151 S CB 0.768 64.017 63.200 0.082 0.000 0.918 1151 S HN 0.492 nan 8.310 nan 0.000 0.505 1152 S N 2.150 117.910 115.700 0.101 0.000 2.533 1152 S HA 0.191 4.659 4.470 -0.003 0.000 0.282 1152 S C 0.864 175.431 174.600 -0.054 0.000 1.304 1152 S CA -0.555 57.677 58.200 0.054 0.000 1.063 1152 S CB -0.163 63.035 63.200 -0.003 0.000 0.881 1152 S HN 0.629 nan 8.310 nan 0.000 0.493 1153 L N 4.140 125.271 121.223 -0.153 0.000 2.515 1153 L HA 0.212 4.550 4.340 -0.003 0.000 0.223 1153 L C -0.100 176.596 176.870 -0.289 0.000 1.079 1153 L CA 0.126 54.767 54.840 -0.331 0.000 0.857 1153 L CB -0.092 41.594 42.059 -0.620 0.000 1.050 1153 L HN 0.659 nan 8.230 nan 0.000 0.476 1154 Y N 1.939 121.968 120.300 -0.452 0.000 2.767 1154 Y HA 0.344 4.892 4.550 -0.003 0.000 0.354 1154 Y C 0.283 175.602 175.900 -0.968 0.000 1.292 1154 Y CA -0.921 56.445 58.100 -1.222 0.000 1.749 1154 Y CB -0.662 37.289 38.460 -0.849 0.000 1.841 1154 Y HN -0.036 nan 8.280 nan 0.000 0.454 1155 R N 0.054 120.271 120.500 -0.471 0.000 2.750 1155 R HA 0.737 5.075 4.340 -0.003 0.000 0.281 1155 R C 0.399 176.635 176.300 -0.107 0.000 0.972 1155 R CA -0.483 55.404 56.100 -0.354 0.000 0.912 1155 R CB 1.955 31.918 30.300 -0.561 0.000 1.187 1155 R HN 0.590 nan 8.270 nan 0.000 0.464 1156 G N 0.601 109.280 108.800 -0.201 0.000 2.728 1156 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.294 1156 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.294 1156 G C -0.590 174.429 174.900 0.198 0.000 1.342 1156 G CA -0.407 44.764 45.100 0.117 0.000 0.866 1156 G HN 0.765 nan 8.290 nan 0.000 0.534 1157 T N -0.628 114.038 114.554 0.186 0.000 2.851 1157 T HA 0.567 4.915 4.350 -0.003 0.000 0.298 1157 T C 0.456 175.257 174.700 0.169 0.000 0.977 1157 T CA 0.043 62.250 62.100 0.177 0.000 1.126 1157 T CB 1.286 70.281 68.868 0.212 0.000 0.916 1157 T HN 0.680 nan 8.240 nan 0.000 0.529 1158 K N 1.755 122.202 120.400 0.079 0.000 2.154 1158 K HA 0.433 4.751 4.320 -0.003 0.000 0.264 1158 K C -0.653 176.166 176.600 0.364 0.000 1.008 1158 K CA -0.527 55.771 56.287 0.018 0.000 0.937 1158 K CB 0.467 32.828 32.500 -0.232 0.000 1.002 1158 K HN 0.426 nan 8.250 nan 0.000 0.469 1159 F N 1.827 121.801 119.950 0.039 0.000 2.458 1159 F HA 0.492 5.017 4.527 -0.003 0.000 0.330 1159 F C 0.252 176.154 175.800 0.169 0.000 1.082 1159 F CA -1.247 56.823 58.000 0.116 0.000 0.995 1159 F CB 0.945 40.042 39.000 0.162 0.000 1.170 1159 F HN 0.213 nan 8.300 nan 0.000 0.478 1160 I N 4.219 124.959 120.570 0.283 0.000 2.499 1160 I HA 0.355 4.522 4.170 -0.003 0.000 0.288 1160 I C -0.759 175.482 176.117 0.207 0.000 1.048 1160 I CA -0.524 60.896 61.300 0.200 0.000 1.062 1160 I CB 2.065 40.119 38.000 0.090 0.000 1.238 1160 I HN 0.316 nan 8.210 nan 0.000 0.426 1161 I N 6.606 127.313 120.570 0.229 0.000 2.371 1161 I HA 0.264 4.432 4.170 -0.003 0.000 0.290 1161 I C -0.074 176.249 176.117 0.344 0.000 1.028 1161 I CA -0.541 60.889 61.300 0.217 0.000 1.345 1161 I CB 0.469 38.492 38.000 0.039 0.000 1.407 1161 I HN 0.340 nan 8.210 nan 0.000 0.501 1162 K N 6.255 126.866 120.400 0.351 0.000 2.207 1162 K HA 0.472 4.789 4.320 -0.003 0.000 0.255 1162 K C -0.565 176.205 176.600 0.284 0.000 0.941 1162 K CA -0.977 55.499 56.287 0.315 0.000 0.825 1162 K CB 1.759 34.409 32.500 0.250 0.000 1.119 1162 K HN 0.418 nan 8.250 nan 0.000 0.430 1163 K N 1.473 121.843 120.400 -0.049 0.000 2.401 1163 K HA -0.018 4.300 4.320 -0.003 0.000 0.278 1163 K C 0.643 177.268 176.600 0.043 0.000 1.018 1163 K CA 0.039 56.160 56.287 -0.277 0.000 0.981 1163 K CB 0.351 32.550 32.500 -0.501 0.000 0.933 1163 K HN 0.502 nan 8.250 nan 0.000 0.477 1164 Y N 2.341 122.569 120.300 -0.120 0.000 2.231 1164 Y HA 0.128 4.676 4.550 -0.003 0.000 0.294 1164 Y C 0.246 176.118 175.900 -0.045 0.000 1.120 1164 Y CA 0.629 58.640 58.100 -0.149 0.000 1.141 1164 Y CB 0.419 38.703 38.460 -0.293 0.000 1.022 1164 Y HN 0.572 nan 8.280 nan 0.000 0.523 1165 A N -0.600 122.148 122.820 -0.120 0.000 2.350 1165 A HA 0.584 4.902 4.320 -0.003 0.000 0.324 1165 A C 0.155 177.656 177.584 -0.139 0.000 1.118 1165 A CA -0.195 51.735 52.037 -0.178 0.000 0.783 1165 A CB 0.998 19.953 19.000 -0.075 0.000 1.236 1165 A HN 0.205 nan 8.150 nan 0.000 0.457 1166 S N 1.362 116.984 115.700 -0.130 0.000 2.574 1166 S HA 0.186 4.654 4.470 -0.003 0.000 0.242 1166 S C 1.554 176.102 174.600 -0.087 0.000 0.982 1166 S CA 0.307 58.437 58.200 -0.118 0.000 0.977 1166 S CB 0.387 63.525 63.200 -0.104 0.000 0.814 1166 S HN 1.026 nan 8.310 nan 0.000 0.464 1167 G N 2.105 110.861 108.800 -0.073 0.000 2.443 1167 G HA2 -0.104 3.854 3.960 -0.003 0.000 0.219 1167 G HA3 -0.104 3.854 3.960 -0.003 0.000 0.219 1167 G C 0.419 175.293 174.900 -0.044 0.000 1.131 1167 G CA 0.007 45.076 45.100 -0.052 0.000 0.775 1167 G HN 0.538 nan 8.290 nan 0.000 0.547 1168 N N -0.354 118.316 118.700 -0.050 0.000 2.422 1168 N HA 0.225 4.962 4.740 -0.003 0.000 0.266 1168 N C 1.147 176.631 175.510 -0.043 0.000 1.007 1168 N CA -0.463 52.565 53.050 -0.037 0.000 0.941 1168 N CB 1.026 39.498 38.487 -0.024 0.000 1.115 1168 N HN -0.003 nan 8.380 nan 0.000 0.492 1169 K N 2.842 123.226 120.400 -0.027 0.000 2.097 1169 K HA -0.118 4.200 4.320 -0.003 0.000 0.205 1169 K C 0.209 176.806 176.600 -0.005 0.000 1.050 1169 K CA 0.928 57.202 56.287 -0.021 0.000 0.938 1169 K CB -0.051 32.442 32.500 -0.012 0.000 0.718 1169 K HN 0.733 nan 8.250 nan 0.000 0.442 1170 D N 0.045 120.451 120.400 0.010 0.000 2.368 1170 D HA -0.082 4.556 4.640 -0.003 0.000 0.240 1170 D C -0.257 176.091 176.300 0.081 0.000 1.169 1170 D CA 0.065 54.088 54.000 0.037 0.000 0.906 1170 D CB 0.478 41.296 40.800 0.030 0.000 1.187 1170 D HN 0.020 nan 8.370 nan 0.000 0.435 1171 N N 0.772 119.547 118.700 0.125 0.000 2.321 1171 N HA 0.202 4.940 4.740 -0.003 0.000 0.242 1171 N C -0.327 175.341 175.510 0.264 0.000 1.141 1171 N CA -0.213 52.990 53.050 0.255 0.000 0.864 1171 N CB 0.469 39.074 38.487 0.197 0.000 1.100 1171 N HN 0.429 nan 8.380 nan 0.000 0.510 1172 I N 1.068 121.731 120.570 0.156 0.000 2.365 1172 I HA 0.143 4.311 4.170 -0.003 0.000 0.291 1172 I C 0.239 176.341 176.117 -0.025 0.000 1.004 1172 I CA -0.697 60.613 61.300 0.016 0.000 1.311 1172 I CB 1.480 39.422 38.000 -0.098 0.000 1.401 1172 I HN -0.300 nan 8.210 nan 0.000 0.491 1173 V N 7.528 127.302 119.914 -0.233 0.000 2.408 1173 V HA 0.312 4.430 4.120 -0.003 0.000 0.267 1173 V C 0.414 176.400 176.094 -0.180 0.000 1.047 1173 V CA -0.446 61.650 62.300 -0.340 0.000 0.937 1173 V CB 0.449 31.937 31.823 -0.559 0.000 0.999 1173 V HN 0.684 nan 8.190 nan 0.000 0.472 1174 R N 3.019 123.466 120.500 -0.088 0.000 2.720 1174 R HA 0.308 4.645 4.340 -0.003 0.000 0.272 1174 R C 1.216 177.481 176.300 -0.058 0.000 0.991 1174 R CA -0.782 55.270 56.100 -0.081 0.000 1.010 1174 R CB 0.637 30.901 30.300 -0.059 0.000 1.141 1174 R HN 0.648 nan 8.270 nan 0.000 0.494 1175 N N 1.127 119.793 118.700 -0.058 0.000 2.139 1175 N HA -0.267 4.471 4.740 -0.003 0.000 0.199 1175 N C 0.265 175.767 175.510 -0.013 0.000 1.003 1175 N CA 1.857 54.886 53.050 -0.034 0.000 0.892 1175 N CB 0.010 38.477 38.487 -0.033 0.000 1.039 1175 N HN 0.459 nan 8.380 nan 0.000 0.461 1176 N N 0.061 118.753 118.700 -0.013 0.000 2.291 1176 N HA 0.064 4.802 4.740 -0.003 0.000 0.244 1176 N C -1.192 174.311 175.510 -0.011 0.000 1.216 1176 N CA -0.256 52.788 53.050 -0.010 0.000 0.879 1176 N CB 0.197 38.677 38.487 -0.012 0.000 1.167 1176 N HN 0.245 nan 8.380 nan 0.000 0.515 1177 D N 1.162 121.565 120.400 0.004 0.000 2.455 1177 D HA 0.059 4.696 4.640 -0.003 0.000 0.241 1177 D C 0.620 176.923 176.300 0.005 0.000 1.138 1177 D CA 0.635 54.659 54.000 0.041 0.000 0.877 1177 D CB 1.169 42.038 40.800 0.115 0.000 1.187 1177 D HN -0.070 nan 8.370 nan 0.000 0.451 1178 R N 0.949 121.439 120.500 -0.016 0.000 2.349 1178 R HA 0.553 4.891 4.340 -0.003 0.000 0.299 1178 R C -0.184 176.079 176.300 -0.061 0.000 1.027 1178 R CA -0.730 55.271 56.100 -0.165 0.000 0.958 1178 R CB 1.234 31.275 30.300 -0.433 0.000 1.047 1178 R HN 0.332 nan 8.270 nan 0.000 0.468 1179 V N -0.009 119.824 119.914 -0.134 0.000 3.165 1179 V HA 0.604 4.722 4.120 -0.003 0.000 0.309 1179 V C -1.663 174.308 176.094 -0.205 0.000 1.267 1179 V CA -1.010 61.273 62.300 -0.028 0.000 1.067 1179 V CB 1.844 33.765 31.823 0.162 0.000 1.082 1179 V HN 0.588 nan 8.190 nan 0.000 0.451 1180 Y N 0.421 120.802 120.300 0.135 0.000 2.468 1180 Y HA 0.789 5.337 4.550 -0.003 0.000 0.342 1180 Y C -0.090 175.846 175.900 0.060 0.000 1.021 1180 Y CA -1.267 56.882 58.100 0.080 0.000 1.079 1180 Y CB 2.033 40.541 38.460 0.079 0.000 1.226 1180 Y HN 0.479 nan 8.280 nan 0.000 0.460 1181 I N 3.182 123.851 120.570 0.165 0.000 2.362 1181 I HA 0.262 4.430 4.170 -0.003 0.000 0.289 1181 I C -0.759 175.330 176.117 -0.048 0.000 0.994 1181 I CA -0.915 60.402 61.300 0.029 0.000 1.158 1181 I CB 1.047 38.984 38.000 -0.105 0.000 1.315 1181 I HN 0.618 nan 8.210 nan 0.000 0.451 1182 N N 4.912 123.595 118.700 -0.028 0.000 2.473 1182 N HA 0.544 5.282 4.740 -0.003 0.000 0.291 1182 N C -0.651 174.795 175.510 -0.107 0.000 1.083 1182 N CA -0.328 52.696 53.050 -0.044 0.000 0.951 1182 N CB 2.292 40.780 38.487 0.001 0.000 1.164 1182 N HN 0.214 nan 8.380 nan 0.000 0.480 1183 V N 1.606 121.482 119.914 -0.064 0.000 2.555 1183 V HA 0.405 4.523 4.120 -0.003 0.000 0.302 1183 V C -0.284 175.899 176.094 0.148 0.000 1.038 1183 V CA -0.871 61.424 62.300 -0.007 0.000 0.887 1183 V CB 1.955 33.746 31.823 -0.053 0.000 0.991 1183 V HN 0.309 nan 8.190 nan 0.000 0.434 1184 V N 5.381 125.390 119.914 0.159 0.000 2.383 1184 V HA 0.468 4.586 4.120 -0.003 0.000 0.275 1184 V C -0.192 176.015 176.094 0.188 0.000 1.036 1184 V CA -0.390 62.001 62.300 0.151 0.000 0.889 1184 V CB 1.430 33.298 31.823 0.075 0.000 0.985 1184 V HN 0.597 nan 8.190 nan 0.000 0.459 1185 V N 5.151 125.226 119.914 0.269 0.000 2.483 1185 V HA 0.439 4.557 4.120 -0.003 0.000 0.297 1185 V C 0.197 176.414 176.094 0.205 0.000 1.027 1185 V CA -1.189 61.231 62.300 0.201 0.000 0.855 1185 V CB 1.498 33.373 31.823 0.088 0.000 0.995 1185 V HN 0.947 nan 8.190 nan 0.000 0.424 1186 K N 3.773 124.248 120.400 0.126 0.000 3.278 1186 K HA -0.243 4.075 4.320 -0.003 0.000 0.270 1186 K C 0.527 177.186 176.600 0.098 0.000 0.955 1186 K CA 0.840 57.188 56.287 0.102 0.000 0.723 1186 K CB -1.007 31.550 32.500 0.095 0.000 1.382 1186 K HN 0.921 nan 8.250 nan 0.000 0.461 1187 N N 0.148 118.897 118.700 0.082 0.000 2.721 1187 N HA -0.177 4.561 4.740 -0.003 0.000 0.249 1187 N C -1.393 174.136 175.510 0.031 0.000 1.072 1187 N CA 1.521 54.600 53.050 0.048 0.000 0.710 1187 N CB -0.074 38.433 38.487 0.034 0.000 0.993 1187 N HN 0.372 nan 8.380 nan 0.000 0.547 1188 K N 0.546 120.977 120.400 0.052 0.000 2.498 1188 K HA 0.333 4.651 4.320 -0.003 0.000 0.254 1188 K C -0.584 175.909 176.600 -0.178 0.000 0.933 1188 K CA -0.522 55.721 56.287 -0.073 0.000 0.806 1188 K CB 1.431 33.904 32.500 -0.045 0.000 1.301 1188 K HN 0.233 nan 8.250 nan 0.000 0.432 1189 E N 1.591 121.580 120.200 -0.352 0.000 2.216 1189 E HA 0.376 4.724 4.350 -0.003 0.000 0.279 1189 E C -0.833 175.380 176.600 -0.646 0.000 0.997 1189 E CA -0.427 55.788 56.400 -0.308 0.000 0.817 1189 E CB 0.989 30.588 29.700 -0.168 0.000 1.096 1189 E HN 0.305 nan 8.360 nan 0.000 0.393 1190 Y N 0.397 120.679 120.300 -0.030 0.000 2.665 1190 Y HA 0.494 5.042 4.550 -0.004 0.000 0.336 1190 Y C -0.190 175.676 175.900 -0.056 0.000 1.085 1190 Y CA -1.214 56.864 58.100 -0.037 0.000 1.096 1190 Y CB 1.314 39.759 38.460 -0.025 0.000 1.301 1190 Y HN 0.315 nan 8.280 nan 0.000 0.493 1191 R N 1.559 122.123 120.500 0.106 0.000 2.387 1191 R HA 0.469 4.807 4.340 -0.003 0.000 0.314 1191 R C -1.642 174.670 176.300 0.019 0.000 0.958 1191 R CA -0.671 55.446 56.100 0.027 0.000 0.846 1191 R CB 0.770 31.070 30.300 -0.001 0.000 1.147 1191 R HN 0.789 nan 8.270 nan 0.000 0.447 1192 L N 3.745 124.948 121.223 -0.033 0.000 2.410 1192 L HA 0.586 4.924 4.340 -0.003 0.000 0.273 1192 L C -0.813 176.066 176.870 0.015 0.000 1.144 1192 L CA 0.424 55.233 54.840 -0.051 0.000 0.863 1192 L CB 0.446 42.408 42.059 -0.161 0.000 1.140 1192 L HN 0.922 nan 8.230 nan 0.000 0.463 1193 A N 3.480 126.319 122.820 0.033 0.000 2.564 1193 A HA 0.747 5.065 4.320 -0.003 0.000 0.291 1193 A C -0.787 176.828 177.584 0.051 0.000 1.102 1193 A CA -0.198 51.867 52.037 0.048 0.000 0.660 1193 A CB 1.882 20.912 19.000 0.051 0.000 1.283 1193 A HN 0.607 nan 8.150 nan 0.000 0.430 1194 T N -0.069 114.513 114.554 0.048 0.000 2.830 1194 T HA 0.457 4.805 4.350 -0.003 0.000 0.322 1194 T C -1.969 172.751 174.700 0.034 0.000 1.501 1194 T CA -0.536 61.590 62.100 0.044 0.000 1.036 1194 T CB 1.415 70.315 68.868 0.052 0.000 1.379 1194 T HN 0.849 nan 8.240 nan 0.000 0.493 1195 N N 1.986 120.701 118.700 0.025 0.000 2.462 1195 N HA 0.448 5.186 4.740 -0.003 0.000 0.242 1195 N C 0.950 176.469 175.510 0.015 0.000 1.010 1195 N CA 0.054 53.115 53.050 0.018 0.000 0.939 1195 N CB 1.331 39.825 38.487 0.012 0.000 1.127 1195 N HN 0.731 nan 8.380 nan 0.000 0.509 1196 A N 2.594 125.424 122.820 0.017 0.000 2.225 1196 A HA -0.070 4.248 4.320 -0.003 0.000 0.215 1196 A C 1.821 179.410 177.584 0.009 0.000 1.164 1196 A CA 1.006 53.052 52.037 0.014 0.000 0.710 1196 A CB -0.166 18.842 19.000 0.013 0.000 0.780 1196 A HN 0.631 nan 8.150 nan 0.000 0.473 1197 S N -0.140 115.564 115.700 0.006 0.000 2.515 1197 S HA -0.029 4.439 4.470 -0.003 0.000 0.231 1197 S C 0.891 175.490 174.600 -0.001 0.000 0.987 1197 S CA 0.024 58.226 58.200 0.003 0.000 0.936 1197 S CB -0.162 63.039 63.200 0.003 0.000 0.766 1197 S HN 0.750 nan 8.310 nan 0.000 0.528 1198 Q N 0.339 120.137 119.800 -0.004 0.000 2.427 1198 Q HA 0.061 4.399 4.340 -0.003 0.000 0.310 1198 Q C 1.556 177.550 176.000 -0.011 0.000 1.167 1198 Q CA 0.193 55.988 55.803 -0.013 0.000 0.991 1198 Q CB 0.202 28.927 28.738 -0.021 0.000 1.287 1198 Q HN 0.378 nan 8.270 nan 0.000 0.443 1199 A N 2.739 125.550 122.820 -0.015 0.000 1.837 1199 A HA -0.116 4.202 4.320 -0.003 0.000 0.216 1199 A C 1.068 178.648 177.584 -0.006 0.000 1.210 1199 A CA 1.714 53.745 52.037 -0.009 0.000 0.632 1199 A CB -1.354 17.640 19.000 -0.010 0.000 0.843 1199 A HN 0.812 nan 8.150 nan 0.000 0.448 1200 G N -2.507 106.290 108.800 -0.005 0.000 2.588 1200 G HA2 0.359 4.317 3.960 -0.003 0.000 0.278 1200 G HA3 0.359 4.317 3.960 -0.003 0.000 0.278 1200 G C 0.899 175.790 174.900 -0.014 0.000 1.307 1200 G CA 0.190 45.285 45.100 -0.009 0.000 1.016 1200 G HN 0.371 nan 8.290 nan 0.000 0.503 1201 V N -0.276 119.616 119.914 -0.036 0.000 2.358 1201 V HA -0.056 4.062 4.120 -0.003 0.000 0.246 1201 V C 1.119 177.197 176.094 -0.028 0.000 1.047 1201 V CA 1.513 63.796 62.300 -0.030 0.000 1.035 1201 V CB -0.644 31.152 31.823 -0.044 0.000 0.658 1201 V HN 0.513 nan 8.190 nan 0.000 0.452 1202 E N 1.552 121.713 120.200 -0.066 0.000 2.104 1202 E HA 0.181 4.529 4.350 -0.003 0.000 0.278 1202 E C -0.122 176.518 176.600 0.066 0.000 1.127 1202 E CA -0.021 56.370 56.400 -0.015 0.000 0.897 1202 E CB 0.188 29.829 29.700 -0.099 0.000 1.043 1202 E HN 0.222 nan 8.360 nan 0.000 0.410 1203 K N 3.708 124.152 120.400 0.073 0.000 2.267 1203 K HA 0.275 4.593 4.320 -0.003 0.000 0.282 1203 K C 0.193 176.841 176.600 0.080 0.000 1.078 1203 K CA -0.312 56.008 56.287 0.056 0.000 0.903 1203 K CB 0.489 33.023 32.500 0.056 0.000 1.111 1203 K HN 0.508 nan 8.250 nan 0.000 0.475 1204 I N 4.255 124.835 120.570 0.016 0.000 2.683 1204 I HA -0.049 4.119 4.170 -0.003 0.000 0.286 1204 I C 0.598 176.762 176.117 0.078 0.000 1.175 1204 I CA 0.007 61.319 61.300 0.021 0.000 1.429 1204 I CB 0.201 38.105 38.000 -0.158 0.000 1.371 1204 I HN 0.238 nan 8.210 nan 0.000 0.569 1205 L N 6.294 127.602 121.223 0.141 0.000 2.350 1205 L HA 0.402 4.740 4.340 -0.003 0.000 0.275 1205 L C 0.206 177.169 176.870 0.154 0.000 1.099 1205 L CA -0.108 54.815 54.840 0.138 0.000 0.808 1205 L CB 1.163 43.315 42.059 0.156 0.000 1.149 1205 L HN 0.604 nan 8.230 nan 0.000 0.442 1206 S N 0.770 116.535 115.700 0.107 0.000 2.671 1206 S HA 0.761 5.229 4.470 -0.003 0.000 0.299 1206 S C -0.541 174.090 174.600 0.052 0.000 1.116 1206 S CA -0.670 57.586 58.200 0.093 0.000 0.912 1206 S CB 2.060 65.300 63.200 0.068 0.000 1.130 1206 S HN 0.675 nan 8.310 nan 0.000 0.501 1207 A N 2.125 124.959 122.820 0.024 0.000 2.256 1207 A HA 0.658 4.976 4.320 -0.003 0.000 0.317 1207 A C -0.775 176.823 177.584 0.023 0.000 1.318 1207 A CA -0.482 51.562 52.037 0.012 0.000 0.894 1207 A CB -0.032 18.941 19.000 -0.046 0.000 1.165 1207 A HN 0.607 nan 8.150 nan 0.000 0.525 1208 L N 1.223 122.493 121.223 0.079 0.000 2.360 1208 L HA 0.438 4.775 4.340 -0.003 0.000 0.271 1208 L C 0.519 177.501 176.870 0.187 0.000 1.057 1208 L CA -0.513 54.383 54.840 0.094 0.000 0.803 1208 L CB 1.391 43.484 42.059 0.058 0.000 1.207 1208 L HN 0.805 nan 8.230 nan 0.000 0.445 1209 E N 1.032 121.334 120.200 0.171 0.000 2.366 1209 E HA 0.060 4.408 4.350 -0.003 0.000 0.266 1209 E C 1.116 177.750 176.600 0.058 0.000 1.015 1209 E CA 0.258 56.762 56.400 0.173 0.000 0.906 1209 E CB 0.487 30.257 29.700 0.116 0.000 0.979 1209 E HN 0.387 nan 8.360 nan 0.000 0.443 1210 I N 6.385 126.952 120.570 -0.004 0.000 2.194 1210 I HA -0.250 3.918 4.170 -0.003 0.000 0.246 1210 I C -0.800 175.286 176.117 -0.051 0.000 1.093 1210 I CA 0.914 62.181 61.300 -0.054 0.000 1.355 1210 I CB -0.924 37.012 38.000 -0.107 0.000 1.046 1210 I HN 0.570 nan 8.210 nan 0.000 0.413 1211 P HA -0.101 nan 4.420 nan 0.000 0.223 1211 P C 0.440 177.729 177.300 -0.018 0.000 1.151 1211 P CA 1.259 64.339 63.100 -0.033 0.000 0.787 1211 P CB 0.037 31.721 31.700 -0.027 0.000 0.788 1212 D N -2.013 118.385 120.400 -0.004 0.000 2.462 1212 D HA 0.062 4.700 4.640 -0.003 0.000 0.221 1212 D C 1.451 177.756 176.300 0.008 0.000 1.173 1212 D CA 0.022 54.024 54.000 0.004 0.000 0.831 1212 D CB 0.061 40.870 40.800 0.014 0.000 1.001 1212 D HN -0.069 nan 8.370 nan 0.000 0.499 1213 V N 0.247 120.161 119.914 -0.000 0.000 2.490 1213 V HA -0.040 4.078 4.120 -0.003 0.000 0.250 1213 V C 1.991 178.092 176.094 0.013 0.000 1.061 1213 V CA 1.386 63.690 62.300 0.007 0.000 1.064 1213 V CB -1.047 30.772 31.823 -0.007 0.000 0.670 1213 V HN 0.429 nan 8.190 nan 0.000 0.461 1214 G N 0.541 109.345 108.800 0.006 0.000 2.634 1214 G HA2 -0.478 3.480 3.960 -0.003 0.000 0.309 1214 G HA3 -0.478 3.480 3.960 -0.003 0.000 0.309 1214 G C 0.537 175.450 174.900 0.022 0.000 1.265 1214 G CA 0.876 45.983 45.100 0.011 0.000 0.998 1214 G HN 0.547 nan 8.290 nan 0.000 0.551 1215 N N 0.323 119.038 118.700 0.024 0.000 2.276 1215 N HA 0.329 5.067 4.740 -0.003 0.000 0.212 1215 N C 0.793 176.324 175.510 0.036 0.000 1.127 1215 N CA -0.040 53.029 53.050 0.032 0.000 0.834 1215 N CB -0.206 38.296 38.487 0.026 0.000 1.014 1215 N HN 0.530 nan 8.380 nan 0.000 0.491 1216 L N 0.458 121.703 121.223 0.036 0.000 2.461 1216 L HA 0.117 4.455 4.340 -0.003 0.000 0.272 1216 L C 0.530 177.430 176.870 0.051 0.000 1.197 1216 L CA -0.162 54.701 54.840 0.038 0.000 0.836 1216 L CB 0.564 42.645 42.059 0.036 0.000 1.105 1216 L HN 0.089 nan 8.230 nan 0.000 0.477 1217 S N 1.430 117.156 115.700 0.043 0.000 2.510 1217 S HA 0.110 4.578 4.470 -0.003 0.000 0.279 1217 S C 0.567 175.203 174.600 0.059 0.000 1.284 1217 S CA -0.394 57.832 58.200 0.043 0.000 1.059 1217 S CB 0.706 63.922 63.200 0.026 0.000 0.901 1217 S HN 0.728 nan 8.310 nan 0.000 0.491 1218 Q N 1.158 121.007 119.800 0.082 0.000 1.977 1218 Q HA 0.217 4.555 4.340 -0.003 0.000 0.214 1218 Q C -0.603 175.456 176.000 0.098 0.000 0.740 1218 Q CA -0.150 55.727 55.803 0.124 0.000 0.893 1218 Q CB 0.000 28.863 28.738 0.208 0.000 1.203 1218 Q HN 0.421 nan 8.270 nan 0.000 0.436 1219 V N 2.506 122.415 119.914 -0.007 0.000 2.479 1219 V HA 0.205 4.323 4.120 -0.003 0.000 0.281 1219 V C -0.040 175.942 176.094 -0.188 0.000 1.031 1219 V CA -0.163 62.004 62.300 -0.221 0.000 1.038 1219 V CB 1.250 32.859 31.823 -0.357 0.000 0.981 1219 V HN 0.135 nan 8.190 nan 0.000 0.478 1220 V N 6.070 125.870 119.914 -0.191 0.000 2.513 1220 V HA 0.417 4.535 4.120 -0.003 0.000 0.299 1220 V C -0.095 175.922 176.094 -0.130 0.000 1.035 1220 V CA -0.611 61.622 62.300 -0.113 0.000 0.889 1220 V CB 2.157 33.963 31.823 -0.028 0.000 0.988 1220 V HN 0.581 nan 8.190 nan 0.000 0.440 1221 V N 5.884 125.735 119.914 -0.105 0.000 2.350 1221 V HA 0.388 4.506 4.120 -0.003 0.000 0.276 1221 V C 0.286 176.378 176.094 -0.004 0.000 1.028 1221 V CA -0.579 61.672 62.300 -0.083 0.000 0.860 1221 V CB 1.396 33.157 31.823 -0.103 0.000 0.990 1221 V HN 0.724 nan 8.190 nan 0.000 0.453 1222 M N 5.145 124.748 119.600 0.005 0.000 2.242 1222 M HA 0.460 4.938 4.480 -0.003 0.000 0.344 1222 M C -0.158 176.179 176.300 0.062 0.000 1.140 1222 M CA 0.027 55.347 55.300 0.035 0.000 1.160 1222 M CB 0.663 33.242 32.600 -0.035 0.000 1.491 1222 M HN 0.422 nan 8.290 nan 0.000 0.459 1223 K N 1.009 121.472 120.400 0.106 0.000 2.468 1223 K HA 0.392 4.710 4.320 -0.003 0.000 0.252 1223 K C 0.057 176.690 176.600 0.055 0.000 0.932 1223 K CA -0.248 56.099 56.287 0.100 0.000 0.794 1223 K CB 1.942 34.563 32.500 0.202 0.000 1.241 1223 K HN 0.760 nan 8.250 nan 0.000 0.428 1224 S N 0.552 116.262 115.700 0.017 0.000 2.632 1224 S HA 0.150 4.618 4.470 -0.003 0.000 0.237 1224 S C 0.093 174.683 174.600 -0.015 0.000 1.037 1224 S CA -0.209 57.987 58.200 -0.007 0.000 1.009 1224 S CB 0.067 63.247 63.200 -0.033 0.000 0.974 1224 S HN 0.673 nan 8.310 nan 0.000 0.544 1225 K N 0.846 121.242 120.400 -0.006 0.000 2.660 1225 K HA 0.316 4.634 4.320 -0.003 0.000 0.285 1225 K C -1.613 174.989 176.600 0.003 0.000 0.997 1225 K CA -0.946 55.332 56.287 -0.014 0.000 0.861 1225 K CB 0.297 32.780 32.500 -0.028 0.000 1.469 1225 K HN 0.068 nan 8.250 nan 0.000 0.395 1231 T N 3.926 118.459 114.554 -0.036 0.000 2.860 1231 T HA 0.299 4.647 4.350 -0.003 0.000 0.299 1231 T C -0.401 174.280 174.700 -0.031 0.000 1.045 1231 T CA 0.227 62.303 62.100 -0.040 0.000 1.071 1231 T CB 0.414 69.247 68.868 -0.058 0.000 0.985 1231 T HN 0.632 nan 8.240 nan 0.000 0.537 1232 N N -0.485 118.198 118.700 -0.029 0.000 2.823 1232 N HA 0.419 5.157 4.740 -0.003 0.000 0.251 1232 N C -1.455 174.046 175.510 -0.014 0.000 1.392 1232 N CA -1.110 51.922 53.050 -0.030 0.000 0.864 1232 N CB 1.291 39.744 38.487 -0.056 0.000 1.481 1232 N HN 0.096 nan 8.380 nan 0.000 0.508 1233 K N 0.350 120.744 120.400 -0.009 0.000 2.234 1233 K HA 0.196 4.514 4.320 -0.003 0.000 0.251 1233 K C -0.360 176.273 176.600 0.056 0.000 1.011 1233 K CA -0.136 56.164 56.287 0.023 0.000 0.889 1233 K CB 0.298 32.808 32.500 0.017 0.000 1.011 1233 K HN 0.579 nan 8.250 nan 0.000 0.505 1234 C N 2.423 121.800 119.300 0.128 0.000 2.538 1234 C HA 0.059 4.516 4.460 -0.003 0.000 0.408 1234 C C 0.449 175.589 174.990 0.250 0.000 1.421 1234 C CA 0.062 59.204 59.018 0.206 0.000 1.642 1234 C CB -1.106 26.863 27.740 0.382 0.000 2.553 1234 C HN 0.462 nan 8.230 nan 0.000 0.604 1235 K N 3.092 123.622 120.400 0.216 0.000 2.375 1235 K HA 0.671 4.989 4.320 -0.003 0.000 0.249 1235 K C -0.926 175.888 176.600 0.358 0.000 0.942 1235 K CA -0.466 55.973 56.287 0.254 0.000 0.806 1235 K CB 1.729 34.245 32.500 0.026 0.000 1.227 1235 K HN 0.584 nan 8.250 nan 0.000 0.430 1236 M N 2.395 122.262 119.600 0.445 0.000 2.093 1236 M HA 0.237 4.715 4.480 -0.003 0.000 0.297 1236 M C -0.909 175.562 176.300 0.284 0.000 0.938 1236 M CA -0.791 54.691 55.300 0.304 0.000 0.920 1236 M CB 1.635 34.351 32.600 0.193 0.000 1.517 1236 M HN 0.411 nan 8.290 nan 0.000 0.427 1237 N N 3.707 122.429 118.700 0.037 0.000 2.457 1237 N HA 0.310 5.048 4.740 -0.003 0.000 0.250 1237 N C -1.403 174.002 175.510 -0.174 0.000 0.982 1237 N CA -0.441 52.411 53.050 -0.330 0.000 0.941 1237 N CB 0.924 38.965 38.487 -0.743 0.000 1.120 1237 N HN 0.620 nan 8.380 nan 0.000 0.505 1238 L N 2.884 124.046 121.223 -0.101 0.000 2.380 1238 L HA 0.341 4.679 4.340 -0.003 0.000 0.273 1238 L C -0.403 176.412 176.870 -0.091 0.000 1.138 1238 L CA 0.397 55.200 54.840 -0.062 0.000 0.832 1238 L CB 0.468 42.529 42.059 0.005 0.000 1.124 1238 L HN 0.686 nan 8.230 nan 0.000 0.454 1239 Q N 1.980 121.725 119.800 -0.092 0.000 2.423 1239 Q HA 0.321 4.659 4.340 -0.003 0.000 0.278 1239 Q C -1.003 174.962 176.000 -0.058 0.000 1.097 1239 Q CA -0.924 54.825 55.803 -0.090 0.000 0.809 1239 Q CB 2.450 31.112 28.738 -0.126 0.000 1.391 1239 Q HN 0.711 nan 8.270 nan 0.000 0.428 1240 D N -0.171 120.205 120.400 -0.040 0.000 2.447 1240 D HA 0.032 4.670 4.640 -0.003 0.000 0.265 1240 D C 0.402 176.692 176.300 -0.016 0.000 1.250 1240 D CA -0.427 53.563 54.000 -0.015 0.000 1.046 1240 D CB 0.446 41.242 40.800 -0.006 0.000 1.095 1240 D HN 0.285 nan 8.370 nan 0.000 0.555 1241 N N -0.820 117.885 118.700 0.010 0.000 2.573 1241 N HA -0.077 4.661 4.740 -0.003 0.000 0.187 1241 N C 0.284 175.804 175.510 0.016 0.000 1.107 1241 N CA 0.361 53.426 53.050 0.025 0.000 0.918 1241 N CB -0.463 38.053 38.487 0.049 0.000 0.966 1241 N HN 0.471 nan 8.380 nan 0.000 0.448 1242 N N -0.628 118.072 118.700 0.000 0.000 2.280 1242 N HA 0.093 4.831 4.740 -0.003 0.000 0.192 1242 N C 0.690 176.188 175.510 -0.019 0.000 1.109 1242 N CA 0.288 53.336 53.050 -0.003 0.000 0.855 1242 N CB 0.599 39.084 38.487 -0.003 0.000 0.974 1242 N HN 0.147 nan 8.380 nan 0.000 0.482 1243 G N 0.892 109.669 108.800 -0.039 0.000 2.132 1243 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.234 1243 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.234 1243 G C -0.547 174.316 174.900 -0.062 0.000 0.989 1243 G CA -0.488 44.573 45.100 -0.065 0.000 0.676 1243 G HN 0.237 nan 8.290 nan 0.000 0.522 1244 N N 1.385 120.056 118.700 -0.048 0.000 2.499 1244 N HA 0.380 5.118 4.740 -0.003 0.000 0.281 1244 N C -0.487 174.989 175.510 -0.057 0.000 1.098 1244 N CA -0.402 52.621 53.050 -0.044 0.000 0.979 1244 N CB 0.933 39.404 38.487 -0.028 0.000 1.121 1244 N HN 0.128 nan 8.380 nan 0.000 0.466 1245 D N 1.519 121.878 120.400 -0.067 0.000 2.458 1245 D HA 0.066 4.704 4.640 -0.003 0.000 0.243 1245 D C 1.250 177.518 176.300 -0.054 0.000 1.146 1245 D CA 0.191 54.139 54.000 -0.087 0.000 0.877 1245 D CB 1.133 41.868 40.800 -0.108 0.000 1.176 1245 D HN 0.448 nan 8.370 nan 0.000 0.461 1246 I N 0.762 121.301 120.570 -0.051 0.000 3.790 1246 I HA 0.214 4.382 4.170 -0.003 0.000 0.305 1246 I C 1.084 177.210 176.117 0.015 0.000 1.253 1246 I CA 0.258 61.552 61.300 -0.009 0.000 1.355 1246 I CB 0.290 38.292 38.000 0.003 0.000 1.137 1246 I HN 0.532 nan 8.210 nan 0.000 0.435 1247 G N 0.687 109.473 108.800 -0.024 0.000 2.335 1247 G HA2 0.002 3.960 3.960 -0.003 0.000 0.592 1247 G HA3 0.002 3.960 3.960 -0.003 0.000 0.592 1247 G C -0.902 174.031 174.900 0.056 0.000 1.442 1247 G CA -1.025 44.097 45.100 0.037 0.000 0.976 1247 G HN -0.150 nan 8.290 nan 0.000 0.652 1248 F N 0.196 120.286 119.950 0.234 0.000 2.506 1248 F HA 0.439 4.964 4.527 -0.003 0.000 0.351 1248 F C 1.654 177.603 175.800 0.248 0.000 1.136 1248 F CA 0.063 58.176 58.000 0.188 0.000 1.298 1248 F CB 0.649 39.711 39.000 0.104 0.000 1.145 1248 F HN 0.321 nan 8.300 nan 0.000 0.593 1249 I N 2.541 123.368 120.570 0.428 0.000 2.416 1249 I HA 0.386 4.554 4.170 -0.003 0.000 0.288 1249 I C 0.710 177.154 176.117 0.545 0.000 1.051 1249 I CA 0.384 61.934 61.300 0.416 0.000 1.375 1249 I CB 0.263 38.426 38.000 0.272 0.000 1.407 1249 I HN 0.750 nan 8.210 nan 0.000 0.516 1250 G N 5.955 115.088 108.800 0.556 0.000 3.198 1250 G HA2 0.679 4.637 3.960 -0.003 0.000 0.166 1250 G HA3 0.679 4.637 3.960 -0.003 0.000 0.166 1250 G C -1.207 174.080 174.900 0.646 0.000 1.134 1250 G CA -0.317 45.062 45.100 0.465 0.000 0.941 1250 G HN 0.526 nan 8.290 nan 0.000 0.639 1251 F N -1.376 118.810 119.950 0.393 0.000 2.713 1251 F HA 0.816 5.341 4.527 -0.004 0.000 0.311 1251 F C -1.435 174.492 175.800 0.211 0.000 1.141 1251 F CA -1.205 56.974 58.000 0.299 0.000 0.939 1251 F CB 1.788 40.919 39.000 0.217 0.000 1.325 1251 F HN 0.707 nan 8.300 nan 0.000 0.453 1252 H N 1.292 120.500 119.070 0.229 0.000 2.996 1252 H HA 0.305 4.859 4.556 -0.003 0.000 0.368 1252 H C -1.497 173.750 175.328 -0.134 0.000 1.185 1252 H CA -0.616 55.343 56.048 -0.148 0.000 1.160 1252 H CB 2.476 32.014 29.762 -0.373 0.000 1.820 1252 H HN 0.746 nan 8.280 nan 0.000 0.547 1253 Q N 3.617 123.033 119.800 -0.639 0.000 2.295 1253 Q HA 0.186 4.524 4.340 -0.003 0.000 0.259 1253 Q C -1.061 174.645 176.000 -0.490 0.000 0.976 1253 Q CA 0.163 55.742 55.803 -0.373 0.000 0.923 1253 Q CB 0.292 28.846 28.738 -0.306 0.000 1.185 1253 Q HN 0.286 nan 8.270 nan 0.000 0.410 1254 F N 2.505 122.436 119.950 -0.033 0.000 2.536 1254 F HA 0.257 4.782 4.527 -0.003 0.000 0.322 1254 F C 0.400 176.167 175.800 -0.056 0.000 1.144 1254 F CA -1.010 56.973 58.000 -0.029 0.000 0.924 1254 F CB 1.244 40.210 39.000 -0.057 0.000 1.181 1254 F HN 0.484 nan 8.300 nan 0.000 0.438 1255 N N 3.624 122.398 118.700 0.123 0.000 2.727 1255 N HA -0.286 4.452 4.740 -0.003 0.000 0.249 1255 N C -0.150 175.381 175.510 0.035 0.000 1.048 1255 N CA 1.050 54.137 53.050 0.063 0.000 0.714 1255 N CB -1.014 37.508 38.487 0.059 0.000 0.959 1255 N HN 0.855 nan 8.380 nan 0.000 0.544 1256 N N -2.610 116.100 118.700 0.017 0.000 2.828 1256 N HA -0.221 4.517 4.740 -0.003 0.000 0.248 1256 N C -0.608 174.915 175.510 0.022 0.000 1.044 1256 N CA 1.164 54.219 53.050 0.008 0.000 0.851 1256 N CB -0.932 37.561 38.487 0.009 0.000 1.136 1256 N HN 0.473 nan 8.380 nan 0.000 0.572 1257 I N 0.601 121.194 120.570 0.038 0.000 2.433 1257 I HA 0.464 4.632 4.170 -0.003 0.000 0.292 1257 I C 0.473 176.651 176.117 0.102 0.000 1.001 1257 I CA -0.839 60.494 61.300 0.055 0.000 1.119 1257 I CB 1.810 39.808 38.000 -0.004 0.000 1.289 1257 I HN 0.123 nan 8.210 nan 0.000 0.438 1258 A N 6.840 129.736 122.820 0.126 0.000 2.671 1258 A HA 0.389 4.707 4.320 -0.003 0.000 0.306 1258 A C 0.122 177.870 177.584 0.273 0.000 1.473 1258 A CA -0.434 51.699 52.037 0.160 0.000 1.155 1258 A CB -0.636 18.296 19.000 -0.113 0.000 1.123 1258 A HN 0.632 nan 8.150 nan 0.000 0.545 1259 K N 2.152 122.753 120.400 0.336 0.000 2.174 1259 K HA 0.444 4.762 4.320 -0.003 0.000 0.275 1259 K C -0.425 176.443 176.600 0.446 0.000 1.015 1259 K CA -0.404 56.076 56.287 0.322 0.000 0.933 1259 K CB 1.268 33.815 32.500 0.079 0.000 1.025 1259 K HN 0.596 nan 8.250 nan 0.000 0.463 1260 L N 3.069 124.550 121.223 0.430 0.000 2.426 1260 L HA 0.216 4.554 4.340 -0.003 0.000 0.271 1260 L C 0.268 177.372 176.870 0.391 0.000 1.169 1260 L CA -0.263 54.857 54.840 0.468 0.000 0.836 1260 L CB 0.474 42.783 42.059 0.416 0.000 1.112 1260 L HN 0.478 nan 8.230 nan 0.000 0.465 1261 V N -0.042 120.122 119.914 0.417 0.000 3.188 1261 V HA 0.912 5.030 4.120 -0.003 0.000 0.305 1261 V C -0.653 175.646 176.094 0.341 0.000 1.232 1261 V CA -0.925 61.574 62.300 0.331 0.000 1.043 1261 V CB 1.839 33.857 31.823 0.325 0.000 1.068 1261 V HN 0.800 nan 8.190 nan 0.000 0.439 1262 A N 1.181 124.155 122.820 0.256 0.000 2.318 1262 A HA 0.916 5.234 4.320 -0.003 0.000 0.324 1262 A C -0.183 177.538 177.584 0.229 0.000 1.170 1262 A CA -0.107 52.082 52.037 0.254 0.000 0.810 1262 A CB 1.362 20.456 19.000 0.156 0.000 1.198 1262 A HN 1.824 nan 8.150 nan 0.000 0.484 1263 S N 1.561 117.447 115.700 0.310 0.000 2.668 1263 S HA 0.271 4.739 4.470 -0.003 0.000 0.277 1263 S C 0.220 174.965 174.600 0.242 0.000 1.170 1263 S CA -0.667 57.644 58.200 0.185 0.000 0.994 1263 S CB 0.734 63.924 63.200 -0.017 0.000 1.051 1263 S HN 0.747 nan 8.310 nan 0.000 0.484 1264 N N 2.419 121.211 118.700 0.154 0.000 2.573 1264 N HA -0.028 4.710 4.740 -0.003 0.000 0.187 1264 N C 1.100 176.710 175.510 0.167 0.000 1.107 1264 N CA 0.715 53.849 53.050 0.141 0.000 0.918 1264 N CB -0.030 38.500 38.487 0.071 0.000 0.966 1264 N HN 0.811 nan 8.380 nan 0.000 0.448 1265 W N 0.681 121.947 121.300 -0.057 0.000 2.358 1265 W HA -0.172 4.486 4.660 -0.004 0.000 0.303 1265 W C 1.224 177.725 176.519 -0.029 0.000 1.208 1265 W CA 1.221 58.499 57.345 -0.110 0.000 1.274 1265 W CB -0.362 28.941 29.460 -0.261 0.000 1.138 1265 W HN 0.094 nan 8.180 nan 0.000 0.515 1266 Y N 0.813 121.305 120.300 0.320 0.000 2.097 1266 Y HA -0.325 4.223 4.550 -0.003 0.000 0.282 1266 Y C 2.605 178.559 175.900 0.089 0.000 1.152 1266 Y CA 1.933 60.138 58.100 0.175 0.000 1.136 1266 Y CB -1.026 37.633 38.460 0.331 0.000 0.975 1266 Y HN 0.021 nan 8.280 nan 0.000 0.498 1267 N N -0.164 118.794 118.700 0.430 0.000 2.104 1267 N HA -0.214 4.524 4.740 -0.003 0.000 0.190 1267 N C 2.039 177.608 175.510 0.097 0.000 1.024 1267 N CA 0.822 54.076 53.050 0.340 0.000 0.853 1267 N CB -0.259 38.351 38.487 0.205 0.000 1.008 1267 N HN 0.216 nan 8.380 nan 0.000 0.424 1268 R N 1.644 122.134 120.500 -0.017 0.000 2.066 1268 R HA -0.052 4.286 4.340 -0.003 0.000 0.232 1268 R C 1.985 178.159 176.300 -0.211 0.000 1.131 1268 R CA 1.308 57.339 56.100 -0.114 0.000 0.955 1268 R CB -0.453 29.756 30.300 -0.152 0.000 0.851 1268 R HN 0.289 nan 8.270 nan 0.000 0.432 1269 Q N 0.330 119.893 119.800 -0.395 0.000 2.135 1269 Q HA -0.113 4.225 4.340 -0.003 0.000 0.204 1269 Q C 2.235 178.099 176.000 -0.227 0.000 0.981 1269 Q CA 1.347 56.876 55.803 -0.457 0.000 0.856 1269 Q CB -0.189 28.067 28.738 -0.804 0.000 0.902 1269 Q HN 0.454 nan 8.270 nan 0.000 0.425 1270 I N 0.397 120.887 120.570 -0.134 0.000 2.500 1270 I HA -0.140 4.028 4.170 -0.003 0.000 0.252 1270 I C 2.254 178.342 176.117 -0.048 0.000 1.142 1270 I CA 0.454 61.709 61.300 -0.075 0.000 1.451 1270 I CB -0.171 37.803 38.000 -0.044 0.000 1.093 1270 I HN 0.104 nan 8.210 nan 0.000 0.430 1271 E N 2.150 122.328 120.200 -0.036 0.000 2.267 1271 E HA -0.149 4.199 4.350 -0.003 0.000 0.197 1271 E C 0.453 177.026 176.600 -0.044 0.000 0.998 1271 E CA 0.920 57.305 56.400 -0.025 0.000 0.830 1271 E CB 0.163 29.848 29.700 -0.024 0.000 0.751 1271 E HN 0.456 nan 8.360 nan 0.000 0.491 1272 R N 0.029 120.486 120.500 -0.072 0.000 2.443 1272 R HA 0.264 4.602 4.340 -0.003 0.000 0.287 1272 R C -0.320 175.936 176.300 -0.073 0.000 1.425 1272 R CA -0.067 55.991 56.100 -0.069 0.000 1.300 1272 R CB 1.238 31.488 30.300 -0.083 0.000 1.129 1272 R HN -0.018 nan 8.270 nan 0.000 0.577 1273 S N 1.048 116.716 115.700 -0.053 0.000 3.922 1273 S HA -0.184 4.284 4.470 -0.003 0.000 0.641 1273 S C -0.378 174.188 174.600 -0.057 0.000 1.746 1273 S CA 0.435 58.606 58.200 -0.048 0.000 1.907 1273 S CB -0.562 62.610 63.200 -0.046 0.000 0.326 1273 S HN 0.897 nan 8.310 nan 0.000 1.786 1278 G N -0.350 108.351 108.800 -0.165 0.000 2.559 1278 G HA2 -0.123 3.835 3.960 -0.003 0.000 0.216 1278 G HA3 -0.123 3.835 3.960 -0.003 0.000 0.216 1278 G C 0.838 175.465 174.900 -0.455 0.000 1.126 1278 G CA 0.964 45.856 45.100 -0.347 0.000 0.778 1278 G HN 0.760 nan 8.290 nan 0.000 0.543 1279 C N -0.393 118.548 119.300 -0.598 0.000 2.668 1279 C HA 0.665 5.123 4.460 -0.003 0.000 0.301 1279 C C 0.635 175.442 174.990 -0.305 0.000 1.351 1279 C CA -1.368 57.318 59.018 -0.553 0.000 1.757 1279 C CB -1.104 26.072 27.740 -0.939 0.000 2.179 1279 C HN 0.029 nan 8.230 nan 0.000 0.586 1280 S N 0.817 116.280 115.700 -0.394 0.000 2.433 1280 S HA 0.637 5.105 4.470 -0.003 0.000 0.310 1280 S C -1.081 173.294 174.600 -0.374 0.000 1.097 1280 S CA -0.126 57.934 58.200 -0.233 0.000 1.103 1280 S CB 0.534 63.638 63.200 -0.160 0.000 0.992 1280 S HN 0.690 nan 8.310 nan 0.000 0.469 1281 W N 1.227 122.500 121.300 -0.045 0.000 2.820 1281 W HA 0.661 5.319 4.660 -0.003 0.000 0.350 1281 W C 0.034 176.495 176.519 -0.096 0.000 1.116 1281 W CA -0.723 56.552 57.345 -0.115 0.000 1.146 1281 W CB 0.955 30.277 29.460 -0.231 0.000 1.433 1281 W HN 0.392 nan 8.180 nan 0.000 0.561 1282 E N 0.758 121.007 120.200 0.082 0.000 2.234 1282 E HA 0.509 4.857 4.350 -0.003 0.000 0.266 1282 E C -1.804 174.720 176.600 -0.126 0.000 0.877 1282 E CA -0.750 55.687 56.400 0.062 0.000 0.758 1282 E CB 0.980 30.731 29.700 0.084 0.000 1.170 1282 E HN 0.180 nan 8.360 nan 0.000 0.415 1283 F N 4.268 124.134 119.950 -0.140 0.000 2.388 1283 F HA 0.460 4.985 4.527 -0.004 0.000 0.358 1283 F C -0.092 175.580 175.800 -0.214 0.000 1.122 1283 F CA -0.581 57.242 58.000 -0.295 0.000 1.056 1283 F CB 0.782 39.324 39.000 -0.763 0.000 1.155 1283 F HN 0.312 nan 8.300 nan 0.000 0.461 1284 I N 6.538 127.168 120.570 0.099 0.000 2.354 1284 I HA 0.338 4.506 4.170 -0.003 0.000 0.286 1284 I C -2.414 173.994 176.117 0.486 0.000 1.007 1284 I CA -1.970 59.395 61.300 0.110 0.000 1.167 1284 I CB 1.384 39.277 38.000 -0.177 0.000 1.320 1284 I HN 0.281 nan 8.210 nan 0.000 0.458 1285 P HA 0.247 nan 4.420 nan 0.000 0.285 1285 P C -0.418 177.215 177.300 0.555 0.000 1.269 1285 P CA -0.509 62.902 63.100 0.518 0.000 0.844 1285 P CB 1.909 33.894 31.700 0.475 0.000 1.094 1286 V N 1.756 121.796 119.914 0.210 0.000 2.529 1286 V HA 0.055 4.173 4.120 -0.003 0.000 0.292 1286 V C 0.525 176.783 176.094 0.273 0.000 1.028 1286 V CA 0.946 63.287 62.300 0.069 0.000 1.074 1286 V CB -0.361 31.361 31.823 -0.168 0.000 0.958 1286 V HN 0.650 nan 8.190 nan 0.000 0.481 1287 D N 2.386 123.004 120.400 0.363 0.000 2.780 1287 D HA 0.351 4.989 4.640 -0.003 0.000 0.242 1287 D C 0.391 176.785 176.300 0.156 0.000 1.135 1287 D CA -0.549 53.504 54.000 0.087 0.000 0.859 1287 D CB 1.861 42.359 40.800 -0.504 0.000 1.530 1287 D HN 0.448 nan 8.370 nan 0.000 0.493 1288 D N 2.020 122.508 120.400 0.147 0.000 2.263 1288 D HA -0.012 4.626 4.640 -0.003 0.000 0.208 1288 D C 1.944 178.408 176.300 0.273 0.000 0.971 1288 D CA 0.774 54.891 54.000 0.194 0.000 0.867 1288 D CB 0.003 40.917 40.800 0.190 0.000 0.929 1288 D HN 0.559 nan 8.370 nan 0.000 0.492 1289 G N -0.941 107.991 108.800 0.220 0.000 2.920 1289 G HA2 -0.156 3.802 3.960 -0.003 0.000 0.208 1289 G HA3 -0.156 3.802 3.960 -0.003 0.000 0.208 1289 G C 1.143 176.188 174.900 0.243 0.000 1.159 1289 G CA -0.229 44.990 45.100 0.198 0.000 0.784 1289 G HN 0.311 nan 8.290 nan 0.000 0.535 1290 W N 0.027 121.344 121.300 0.028 0.000 2.699 1290 W HA 0.195 4.853 4.660 -0.003 0.000 0.265 1290 W C 1.679 178.354 176.519 0.259 0.000 1.210 1290 W CA 0.828 58.219 57.345 0.076 0.000 1.414 1290 W CB 0.520 30.031 29.460 0.084 0.000 1.043 1290 W HN 0.357 nan 8.180 nan 0.000 0.599 1291 G N 1.587 110.513 108.800 0.210 0.000 2.267 1291 G HA2 -0.368 3.590 3.960 -0.003 0.000 0.257 1291 G HA3 -0.368 3.590 3.960 -0.003 0.000 0.257 1291 G C 0.237 175.108 174.900 -0.049 0.000 0.998 1291 G CA 0.527 45.581 45.100 -0.076 0.000 0.620 1291 G HN 0.413 nan 8.290 nan 0.000 0.529 1292 E N 0.568 120.740 120.200 -0.047 0.000 2.415 1292 E HA 0.339 4.687 4.350 -0.003 0.000 0.262 1292 E C 0.543 177.299 176.600 0.260 0.000 1.038 1292 E CA -0.444 55.957 56.400 0.001 0.000 0.921 1292 E CB 0.271 29.858 29.700 -0.187 0.000 0.950 1292 E HN 0.412 nan 8.360 nan 0.000 0.438 1293 R N 4.976 125.588 120.500 0.186 0.000 2.229 1293 R HA 0.325 4.663 4.340 -0.003 0.000 0.332 1293 R C -2.151 174.301 176.300 0.254 0.000 0.989 1293 R CA -1.730 54.494 56.100 0.207 0.000 0.842 1293 R CB 0.847 31.209 30.300 0.103 0.000 1.119 1293 R HN 0.406 nan 8.270 nan 0.000 0.456 1294 P HA 0.170 nan 4.420 nan 0.000 0.274 1294 P C -0.290 177.096 177.300 0.144 0.000 1.256 1294 P CA -0.268 62.977 63.100 0.241 0.000 0.795 1294 P CB 0.804 32.608 31.700 0.174 0.000 1.038 1295 L N 0.000 121.298 121.223 0.125 0.000 2.949 1295 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 1295 L CA 0.000 54.895 54.840 0.091 0.000 0.813 1295 L CB 0.000 42.112 42.059 0.088 0.000 0.961 1295 L HN 0.000 nan 8.230 nan 0.000 0.502