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 2p2i_1_B DATA FIRST_RESID 820 DATA SEQUENCE LPYDASKWEF PRDRLKLGKP LGRGXXXQVI EADAFGIDKT ATCRTVAVKM DATA SEQUENCE LXXXXTHSEH RALMSELKIL IHIGHHLNVV NLLGACTKPG GPLMVIVEFC DATA SEQUENCE KFGNLSTYLR SKRNEFVPYK XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXF LTLEHLICYS FQVAKGMEFL DATA SEQUENCE ASRKCIHRDL AARNILLSEK NVVKICDFXX XXXXXXXXXX XXXXXXXXPL DATA SEQUENCE KWMAPETIFD RVYTIQSDVW SFGVLLWEIF SLGASPYPGV KIDEEFCRRL DATA SEQUENCE KEGTRMRAPD YTTPEMYQTM LDCWHGEPSQ RPTFSELVEH LGNLLQANA 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 820 L HA 0.000 nan 4.340 nan 0.000 0.249 820 L C 0.000 176.898 176.870 0.047 0.000 1.165 820 L CA 0.000 54.843 54.840 0.004 0.000 0.813 820 L CB 0.000 42.045 42.059 -0.024 0.000 0.961 821 P HA 0.305 nan 4.420 nan 0.000 0.276 821 P C -1.702 175.699 177.300 0.168 0.000 1.261 821 P CA -0.300 62.862 63.100 0.103 0.000 0.800 821 P CB 0.509 32.258 31.700 0.080 0.000 1.066 822 Y N 0.562 120.895 120.300 0.056 0.000 2.326 822 Y HA 0.251 4.801 4.550 -0.000 0.000 0.329 822 Y C -0.694 175.284 175.900 0.131 0.000 0.973 822 Y CA -0.857 57.291 58.100 0.080 0.000 1.162 822 Y CB 1.096 39.586 38.460 0.049 0.000 1.147 822 Y HN 0.273 nan 8.280 nan 0.000 0.456 823 D N 5.568 125.743 120.400 -0.375 0.000 2.494 823 D HA 0.220 4.860 4.640 -0.000 0.000 0.217 823 D C 0.784 176.793 176.300 -0.485 0.000 1.153 823 D CA 0.358 54.198 54.000 -0.268 0.000 0.954 823 D CB 1.092 41.859 40.800 -0.054 0.000 1.034 823 D HN 0.865 nan 8.370 nan 0.000 0.518 824 A N 2.693 125.219 122.820 -0.490 0.000 2.186 824 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 824 A C 2.122 179.676 177.584 -0.050 0.000 1.159 824 A CA 0.948 52.871 52.037 -0.190 0.000 0.680 824 A CB 0.003 19.108 19.000 0.176 0.000 0.787 824 A HN 0.456 nan 8.150 nan 0.000 0.467 825 S N -1.294 114.348 115.700 -0.095 0.000 2.446 825 S HA 0.014 4.484 4.470 -0.000 0.000 0.225 825 S C 1.806 176.324 174.600 -0.136 0.000 1.016 825 S CA 1.209 59.363 58.200 -0.076 0.000 0.943 825 S CB -0.120 63.037 63.200 -0.071 0.000 0.786 825 S HN 0.678 nan 8.310 nan 0.000 0.508 826 K N -1.504 118.746 120.400 -0.250 0.000 2.358 826 K HA 0.130 4.450 4.320 -0.000 0.000 0.197 826 K C 0.495 176.653 176.600 -0.737 0.000 1.025 826 K CA 0.043 56.022 56.287 -0.514 0.000 1.104 826 K CB 0.250 32.355 32.500 -0.658 0.000 0.855 826 K HN 0.426 nan 8.250 nan 0.000 0.531 827 W N 0.329 121.599 121.300 -0.051 0.000 2.977 827 W HA 0.208 4.867 4.660 -0.001 0.000 0.236 827 W C -0.140 176.486 176.519 0.178 0.000 1.053 827 W CA -0.633 56.742 57.345 0.049 0.000 1.375 827 W CB 0.490 29.973 29.460 0.038 0.000 0.814 827 W HN -0.085 nan 8.180 nan 0.000 0.713 828 E N 1.841 122.269 120.200 0.380 0.000 2.417 828 E HA 0.047 4.397 4.350 -0.000 0.000 0.261 828 E C -1.182 175.607 176.600 0.316 0.000 1.000 828 E CA 0.172 56.788 56.400 0.360 0.000 0.919 828 E CB -0.001 29.860 29.700 0.268 0.000 0.955 828 E HN -0.043 nan 8.360 nan 0.000 0.455 829 F N 6.252 126.297 119.950 0.157 0.000 2.467 829 F HA 0.467 4.994 4.527 0.001 0.000 0.336 829 F C -2.227 173.627 175.800 0.090 0.000 1.123 829 F CA -2.848 55.219 58.000 0.113 0.000 0.964 829 F CB 1.652 40.721 39.000 0.115 0.000 1.136 829 F HN 0.407 nan 8.300 nan 0.000 0.447 830 P HA 0.146 nan 4.420 nan 0.000 0.262 830 P C 0.372 177.499 177.300 -0.288 0.000 1.199 830 P CA 0.334 63.200 63.100 -0.391 0.000 0.763 830 P CB 0.533 31.978 31.700 -0.426 0.000 0.790 831 R N 2.864 123.323 120.500 -0.067 0.000 2.159 831 R HA -0.152 4.187 4.340 -0.000 0.000 0.237 831 R C 1.515 177.826 176.300 0.019 0.000 1.131 831 R CA 1.665 57.782 56.100 0.028 0.000 0.982 831 R CB -0.263 30.059 30.300 0.037 0.000 0.868 831 R HN 0.638 nan 8.270 nan 0.000 0.453 832 D N 0.047 120.425 120.400 -0.037 0.000 2.264 832 D HA -0.179 4.461 4.640 -0.000 0.000 0.208 832 D C 0.857 177.156 176.300 -0.002 0.000 0.966 832 D CA 0.887 54.872 54.000 -0.024 0.000 0.864 832 D CB -0.172 40.598 40.800 -0.051 0.000 0.933 832 D HN 0.205 nan 8.370 nan 0.000 0.499 833 R N -0.204 120.282 120.500 -0.023 0.000 2.568 833 R HA 0.321 4.661 4.340 -0.000 0.000 0.288 833 R C -0.352 176.214 176.300 0.443 0.000 1.077 833 R CA -0.316 55.862 56.100 0.130 0.000 1.102 833 R CB 0.248 30.533 30.300 -0.024 0.000 1.278 833 R HN 0.055 nan 8.270 nan 0.000 0.560 834 L N 0.517 121.942 121.223 0.337 0.000 2.427 834 L HA 0.350 4.690 4.340 -0.000 0.000 0.264 834 L C -0.690 176.310 176.870 0.216 0.000 0.989 834 L CA -0.316 54.731 54.840 0.345 0.000 0.865 834 L CB 1.050 43.322 42.059 0.355 0.000 1.209 834 L HN -0.072 nan 8.230 nan 0.000 0.430 835 K N 5.748 126.280 120.400 0.220 0.000 2.276 835 K HA 0.602 4.922 4.320 -0.000 0.000 0.285 835 K C -0.586 176.053 176.600 0.066 0.000 1.062 835 K CA -0.251 56.126 56.287 0.149 0.000 0.918 835 K CB 0.257 32.878 32.500 0.203 0.000 1.055 835 K HN 0.677 nan 8.250 nan 0.000 0.477 836 L N 2.642 123.894 121.223 0.048 0.000 2.397 836 L HA 0.527 4.867 4.340 -0.000 0.000 0.271 836 L C 1.268 178.136 176.870 -0.003 0.000 1.148 836 L CA -0.292 54.557 54.840 0.016 0.000 0.825 836 L CB 1.532 43.605 42.059 0.022 0.000 1.117 836 L HN 0.928 nan 8.230 nan 0.000 0.456 837 G N 1.134 109.915 108.800 -0.031 0.000 3.247 837 G HA2 0.562 4.522 3.960 -0.000 0.000 0.163 837 G HA3 0.562 4.522 3.960 -0.000 0.000 0.163 837 G C -0.464 174.418 174.900 -0.030 0.000 1.206 837 G CA -0.081 44.995 45.100 -0.041 0.000 0.918 837 G HN 0.556 nan 8.290 nan 0.000 0.625 838 K N 0.369 120.746 120.400 -0.039 0.000 2.126 838 K HA 0.706 5.026 4.320 -0.000 0.000 0.257 838 K C -2.609 173.990 176.600 -0.001 0.000 1.007 838 K CA -1.333 54.945 56.287 -0.015 0.000 0.928 838 K CB 0.010 32.502 32.500 -0.012 0.000 1.013 838 K HN 0.380 nan 8.250 nan 0.000 0.473 839 P HA 0.316 nan 4.420 nan 0.000 0.274 839 P C -0.065 177.278 177.300 0.071 0.000 1.237 839 P CA -0.359 62.767 63.100 0.043 0.000 0.793 839 P CB 0.580 32.303 31.700 0.039 0.000 0.977 840 L N -0.015 121.278 121.223 0.117 0.000 2.920 840 L HA 0.492 4.832 4.340 -0.000 0.000 0.257 840 L C 0.776 177.761 176.870 0.192 0.000 1.150 840 L CA 0.025 54.978 54.840 0.188 0.000 0.959 840 L CB 0.535 42.767 42.059 0.289 0.000 1.321 840 L HN 0.567 nan 8.230 nan 0.000 0.555 841 G N 0.017 108.904 108.800 0.145 0.000 2.404 841 G HA2 0.571 4.531 3.960 -0.000 0.000 0.298 841 G HA3 0.571 4.531 3.960 -0.000 0.000 0.298 841 G C -1.623 173.330 174.900 0.089 0.000 1.577 841 G CA -0.268 44.890 45.100 0.097 0.000 0.847 841 G HN 0.021 nan 8.290 nan 0.000 0.598 842 R N -0.929 119.600 120.500 0.048 0.000 2.807 842 R HA 1.021 5.361 4.340 -0.000 0.000 0.276 842 R C 0.305 176.628 176.300 0.039 0.000 0.979 842 R CA 0.145 56.272 56.100 0.044 0.000 0.928 842 R CB 1.859 32.176 30.300 0.029 0.000 1.191 842 R HN 2.546 nan 8.270 nan 0.000 0.471 848 V N 5.232 125.200 119.914 0.090 0.000 2.555 848 V HA 0.679 4.799 4.120 -0.000 0.000 0.302 848 V C -0.256 175.884 176.094 0.076 0.000 1.038 848 V CA -0.458 61.890 62.300 0.081 0.000 0.887 848 V CB 1.744 33.646 31.823 0.131 0.000 0.991 848 V HN 0.694 nan 8.190 nan 0.000 0.434 849 I N 2.641 123.235 120.570 0.040 0.000 2.569 849 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 849 I C -0.060 176.044 176.117 -0.023 0.000 1.088 849 I CA -0.552 60.760 61.300 0.019 0.000 1.047 849 I CB 2.406 40.412 38.000 0.009 0.000 1.237 849 I HN 0.640 nan 8.210 nan 0.000 0.421 850 E N 4.145 124.305 120.200 -0.068 0.000 2.392 850 E HA 0.556 4.906 4.350 -0.000 0.000 0.264 850 E C -0.809 175.679 176.600 -0.187 0.000 1.024 850 E CA -0.102 56.166 56.400 -0.221 0.000 0.903 850 E CB 1.026 30.517 29.700 -0.349 0.000 0.963 850 E HN 0.715 nan 8.360 nan 0.000 0.432 851 A N 3.984 126.668 122.820 -0.227 0.000 2.601 851 A HA 0.362 4.682 4.320 -0.000 0.000 0.291 851 A C -1.737 175.734 177.584 -0.188 0.000 1.075 851 A CA -0.913 51.034 52.037 -0.149 0.000 0.671 851 A CB 1.522 20.480 19.000 -0.069 0.000 1.277 851 A HN 0.615 nan 8.150 nan 0.000 0.417 852 D N 1.090 121.395 120.400 -0.157 0.000 2.256 852 D HA 0.578 5.218 4.640 -0.000 0.000 0.240 852 D C -0.295 175.837 176.300 -0.280 0.000 1.062 852 D CA 0.310 54.143 54.000 -0.278 0.000 0.832 852 D CB 1.862 42.458 40.800 -0.340 0.000 1.135 852 D HN 0.803 nan 8.370 nan 0.000 0.484 853 A N 2.801 125.419 122.820 -0.336 0.000 2.304 853 A HA 0.541 4.861 4.320 -0.000 0.000 0.314 853 A C -0.854 176.598 177.584 -0.220 0.000 1.187 853 A CA -0.691 51.240 52.037 -0.177 0.000 0.810 853 A CB 0.173 18.980 19.000 -0.322 0.000 1.183 853 A HN 0.388 nan 8.150 nan 0.000 0.487 854 F N 1.917 122.001 119.950 0.224 0.000 2.421 854 F HA 0.480 5.007 4.527 0.000 0.000 0.358 854 F C 1.470 177.429 175.800 0.266 0.000 1.115 854 F CA 0.747 58.855 58.000 0.180 0.000 1.160 854 F CB 1.186 40.261 39.000 0.125 0.000 1.123 854 F HN 0.966 nan 8.300 nan 0.000 0.508 855 G N 3.614 112.576 108.800 0.270 0.000 2.246 855 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.273 855 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.273 855 G C 0.816 175.885 174.900 0.281 0.000 1.055 855 G CA 0.380 45.621 45.100 0.234 0.000 0.851 855 G HN 0.804 nan 8.290 nan 0.000 0.500 856 I N -0.202 120.425 120.570 0.096 0.000 2.928 856 I HA 0.133 4.303 4.170 -0.000 0.000 0.266 856 I C 0.914 177.017 176.117 -0.023 0.000 1.234 856 I CA 1.064 62.302 61.300 -0.103 0.000 1.483 856 I CB 0.089 37.742 38.000 -0.578 0.000 1.097 856 I HN 0.474 nan 8.210 nan 0.000 0.455 857 D N -0.739 119.658 120.400 -0.005 0.000 2.493 857 D HA 0.280 4.920 4.640 -0.000 0.000 0.239 857 D C 0.851 177.153 176.300 0.003 0.000 1.049 857 D CA -0.176 53.816 54.000 -0.013 0.000 1.008 857 D CB 1.042 41.824 40.800 -0.031 0.000 1.398 857 D HN -0.199 nan 8.370 nan 0.000 0.513 858 K N -0.630 119.761 120.400 -0.015 0.000 2.442 858 K HA -0.067 4.253 4.320 -0.000 0.000 0.199 858 K C 1.591 178.189 176.600 -0.003 0.000 1.044 858 K CA 2.068 58.348 56.287 -0.012 0.000 0.941 858 K CB -1.590 30.892 32.500 -0.030 0.000 0.759 858 K HN 0.707 nan 8.250 nan 0.000 0.472 859 T N -4.104 110.449 114.554 -0.001 0.000 3.088 859 T HA 0.424 4.774 4.350 -0.000 0.000 0.259 859 T C 1.608 176.319 174.700 0.019 0.000 1.122 859 T CA 1.009 63.111 62.100 0.004 0.000 1.095 859 T CB -0.262 68.605 68.868 -0.002 0.000 0.930 859 T HN 1.537 nan 8.240 nan 0.000 0.508 860 A N 1.081 123.921 122.820 0.033 0.000 2.829 860 A HA -0.173 4.147 4.320 -0.000 0.000 0.267 860 A C 0.916 178.543 177.584 0.073 0.000 1.370 860 A CA 1.313 53.386 52.037 0.061 0.000 0.900 860 A CB -2.803 16.229 19.000 0.053 0.000 1.044 860 A HN 1.190 nan 8.150 nan 0.000 0.691 861 T N -3.283 111.298 114.554 0.045 0.000 2.884 861 T HA 0.538 4.888 4.350 -0.000 0.000 0.277 861 T C 0.545 175.249 174.700 0.007 0.000 0.976 861 T CA -0.254 61.870 62.100 0.039 0.000 0.956 861 T CB 1.398 70.272 68.868 0.010 0.000 1.113 861 T HN 1.491 nan 8.240 nan 0.000 0.554 862 C N 1.370 120.647 119.300 -0.038 0.000 2.415 862 C HA 0.677 5.136 4.460 -0.000 0.000 0.369 862 C C 0.393 175.261 174.990 -0.205 0.000 1.279 862 C CA -0.558 58.324 59.018 -0.227 0.000 1.886 862 C CB -1.136 26.439 27.740 -0.274 0.000 2.468 862 C HN 0.977 nan 8.230 nan 0.000 0.553 863 R N 3.777 124.126 120.500 -0.251 0.000 2.670 863 R HA 0.511 4.851 4.340 -0.000 0.000 0.289 863 R C -0.585 175.594 176.300 -0.201 0.000 0.965 863 R CA -0.289 55.707 56.100 -0.173 0.000 0.899 863 R CB 1.612 31.835 30.300 -0.129 0.000 1.173 863 R HN 0.772 nan 8.270 nan 0.000 0.456 864 T N 3.606 118.077 114.554 -0.138 0.000 2.780 864 T HA 0.377 4.727 4.350 -0.000 0.000 0.294 864 T C -0.240 174.410 174.700 -0.084 0.000 0.949 864 T CA -0.528 61.468 62.100 -0.174 0.000 1.074 864 T CB 0.973 69.728 68.868 -0.189 0.000 0.910 864 T HN 0.427 nan 8.240 nan 0.000 0.501 865 V N -0.067 119.765 119.914 -0.137 0.000 3.102 865 V HA 1.012 5.131 4.120 -0.000 0.000 0.312 865 V C -0.512 175.558 176.094 -0.040 0.000 1.135 865 V CA -1.661 60.615 62.300 -0.041 0.000 1.022 865 V CB 1.669 33.435 31.823 -0.096 0.000 1.056 865 V HN 0.977 nan 8.190 nan 0.000 0.436 866 A N 1.747 124.595 122.820 0.046 0.000 2.292 866 A HA 0.865 5.185 4.320 -0.000 0.000 0.319 866 A C -0.602 176.971 177.584 -0.017 0.000 1.206 866 A CA -0.632 51.431 52.037 0.043 0.000 0.835 866 A CB 1.259 20.311 19.000 0.086 0.000 1.164 866 A HN 1.446 nan 8.150 nan 0.000 0.505 867 V N 2.714 122.616 119.914 -0.020 0.000 2.483 867 V HA 0.405 4.524 4.120 -0.000 0.000 0.297 867 V C 0.003 176.087 176.094 -0.018 0.000 1.027 867 V CA -0.725 61.563 62.300 -0.021 0.000 0.855 867 V CB 1.526 33.345 31.823 -0.007 0.000 0.995 867 V HN 0.945 nan 8.190 nan 0.000 0.424 868 K N 6.210 126.590 120.400 -0.033 0.000 2.156 868 K HA 0.872 5.192 4.320 -0.000 0.000 0.271 868 K C -0.470 176.114 176.600 -0.027 0.000 0.995 868 K CA -0.467 55.801 56.287 -0.032 0.000 0.890 868 K CB 1.138 33.602 32.500 -0.060 0.000 1.073 868 K HN 0.869 nan 8.250 nan 0.000 0.454 869 M N 1.759 121.351 119.600 -0.012 0.000 3.331 869 M HA 0.504 4.983 4.480 -0.000 0.000 0.281 869 M C -1.880 174.423 176.300 0.004 0.000 1.338 869 M CA -1.102 54.193 55.300 -0.009 0.000 0.827 869 M CB 1.094 33.698 32.600 0.007 0.000 1.674 869 M HN 0.327 nan 8.290 nan 0.000 0.477 876 H N 0.913 119.993 119.070 0.016 0.000 2.426 876 H HA -0.112 4.443 4.556 -0.001 0.000 0.298 876 H C 2.484 177.847 175.328 0.058 0.000 1.107 876 H CA 1.440 57.503 56.048 0.024 0.000 1.298 876 H CB 0.181 29.936 29.762 -0.011 0.000 1.377 876 H HN 0.657 nan 8.280 nan 0.000 0.519 877 S N 0.682 116.478 115.700 0.161 0.000 2.368 877 S HA -0.188 4.281 4.470 -0.000 0.000 0.225 877 S C 1.936 176.584 174.600 0.081 0.000 1.030 877 S CA 1.499 59.756 58.200 0.095 0.000 0.999 877 S CB -0.021 63.214 63.200 0.058 0.000 0.844 877 S HN 0.447 nan 8.310 nan 0.000 0.459 878 E N -0.217 120.036 120.200 0.089 0.000 2.077 878 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 878 E C 2.143 178.783 176.600 0.065 0.000 0.989 878 E CA 1.268 57.707 56.400 0.065 0.000 0.800 878 E CB -0.279 29.461 29.700 0.067 0.000 0.746 878 E HN 0.622 nan 8.360 nan 0.000 0.452 879 H N 0.816 119.896 119.070 0.017 0.000 2.389 879 H HA 0.023 4.579 4.556 -0.001 0.000 0.299 879 H C 1.892 177.197 175.328 -0.038 0.000 1.081 879 H CA 1.298 57.338 56.048 -0.014 0.000 1.345 879 H CB 0.305 30.055 29.762 -0.020 0.000 1.393 879 H HN 0.025 nan 8.280 nan 0.000 0.520 880 R N -0.060 120.497 120.500 0.095 0.000 2.115 880 R HA -0.009 4.331 4.340 -0.000 0.000 0.226 880 R C 2.593 178.870 176.300 -0.038 0.000 1.100 880 R CA 0.887 57.005 56.100 0.030 0.000 0.980 880 R CB -0.056 30.272 30.300 0.046 0.000 0.875 880 R HN 0.240 nan 8.270 nan 0.000 0.445 881 A N 1.197 123.997 122.820 -0.034 0.000 1.873 881 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 881 A C 2.038 179.566 177.584 -0.094 0.000 1.186 881 A CA 1.007 53.012 52.037 -0.053 0.000 0.616 881 A CB -0.494 18.486 19.000 -0.033 0.000 0.823 881 A HN 0.221 nan 8.150 nan 0.000 0.442 882 L N -1.033 120.115 121.223 -0.124 0.000 2.046 882 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 882 L C 2.348 179.099 176.870 -0.198 0.000 1.077 882 L CA 1.890 56.632 54.840 -0.163 0.000 0.747 882 L CB -0.477 41.463 42.059 -0.199 0.000 0.896 882 L HN 0.293 nan 8.230 nan 0.000 0.432 883 M N -1.306 118.152 119.600 -0.237 0.000 2.159 883 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 883 M C 2.396 178.608 176.300 -0.146 0.000 1.063 883 M CA 1.433 56.603 55.300 -0.216 0.000 1.110 883 M CB -1.043 31.445 32.600 -0.188 0.000 1.374 883 M HN 0.287 nan 8.290 nan 0.000 0.411 884 S N 0.109 115.739 115.700 -0.116 0.000 2.356 884 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 884 S C 1.799 176.335 174.600 -0.106 0.000 1.032 884 S CA 1.467 59.610 58.200 -0.096 0.000 1.005 884 S CB -0.216 62.935 63.200 -0.081 0.000 0.867 884 S HN 0.505 nan 8.310 nan 0.000 0.449 885 E N 0.589 120.719 120.200 -0.117 0.000 2.038 885 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 885 E C 2.102 178.625 176.600 -0.130 0.000 1.000 885 E CA 1.297 57.624 56.400 -0.121 0.000 0.803 885 E CB -0.227 29.398 29.700 -0.124 0.000 0.750 885 E HN 0.303 nan 8.360 nan 0.000 0.448 886 L N 1.549 122.683 121.223 -0.147 0.000 1.971 886 L HA -0.223 4.117 4.340 -0.000 0.000 0.215 886 L C 2.163 178.940 176.870 -0.154 0.000 1.072 886 L CA 2.109 56.847 54.840 -0.169 0.000 0.758 886 L CB -0.718 41.230 42.059 -0.185 0.000 0.889 886 L HN -0.033 nan 8.230 nan 0.000 0.433 887 K N -0.204 120.129 120.400 -0.111 0.000 2.059 887 K HA -0.160 4.160 4.320 -0.000 0.000 0.212 887 K C 1.994 178.563 176.600 -0.051 0.000 1.050 887 K CA 2.358 58.606 56.287 -0.065 0.000 0.927 887 K CB -0.489 31.978 32.500 -0.056 0.000 0.714 887 K HN 0.501 nan 8.250 nan 0.000 0.447 888 I N 0.031 120.564 120.570 -0.061 0.000 2.286 888 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 888 I C 1.939 178.057 176.117 0.002 0.000 1.104 888 I CA 0.907 62.197 61.300 -0.016 0.000 1.397 888 I CB -0.247 37.724 38.000 -0.048 0.000 1.072 888 I HN 0.088 nan 8.210 nan 0.000 0.417 889 L N 0.476 121.656 121.223 -0.071 0.000 2.265 889 L HA -0.197 4.143 4.340 -0.000 0.000 0.215 889 L C 2.412 179.213 176.870 -0.114 0.000 1.117 889 L CA 1.325 56.113 54.840 -0.087 0.000 0.782 889 L CB -0.294 41.681 42.059 -0.140 0.000 0.914 889 L HN 0.282 nan 8.230 nan 0.000 0.441 890 I N -1.554 118.916 120.570 -0.167 0.000 2.480 890 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 890 I C 2.485 178.629 176.117 0.045 0.000 1.124 890 I CA 0.596 61.779 61.300 -0.194 0.000 1.444 890 I CB -0.183 37.632 38.000 -0.310 0.000 1.098 890 I HN 0.265 nan 8.210 nan 0.000 0.428 891 H N 2.315 121.369 119.070 -0.027 0.000 2.269 891 H HA -0.207 4.349 4.556 -0.000 0.000 0.299 891 H C 2.239 177.582 175.328 0.026 0.000 1.058 891 H CA 2.662 58.714 56.048 0.006 0.000 1.246 891 H CB -0.482 29.266 29.762 -0.023 0.000 1.376 891 H HN 0.289 nan 8.280 nan 0.000 0.503 892 I N -1.698 118.787 120.570 -0.142 0.000 2.227 892 I HA -0.150 4.020 4.170 -0.000 0.000 0.250 892 I C 1.573 177.690 176.117 0.000 0.000 1.087 892 I CA 1.401 62.581 61.300 -0.201 0.000 1.352 892 I CB -0.968 37.001 38.000 -0.052 0.000 1.043 892 I HN 0.684 nan 8.210 nan 0.000 0.425 893 G N 0.530 109.413 108.800 0.138 0.000 2.451 893 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.208 893 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.208 893 G C -0.648 174.456 174.900 0.339 0.000 1.248 893 G CA 0.132 45.389 45.100 0.261 0.000 0.989 893 G HN 0.841 nan 8.290 nan 0.000 0.559 894 H N 0.840 120.021 119.070 0.185 0.000 2.573 894 H HA 0.752 5.308 4.556 -0.000 0.000 0.351 894 H C -1.141 174.047 175.328 -0.233 0.000 1.163 894 H CA -0.094 55.969 56.048 0.026 0.000 1.205 894 H CB 1.885 31.657 29.762 0.017 0.000 1.605 894 H HN 0.899 nan 8.280 nan 0.000 0.525 895 H N 4.525 122.940 119.070 -1.092 0.000 3.123 895 H HA 0.009 4.565 4.556 -0.000 0.000 0.346 895 H C -0.404 174.432 175.328 -0.819 0.000 1.138 895 H CA -0.525 54.945 56.048 -0.964 0.000 1.273 895 H CB 1.526 30.410 29.762 -1.465 0.000 1.926 895 H HN 0.561 nan 8.280 nan 0.000 0.524 896 L N 3.928 124.837 121.223 -0.522 0.000 2.456 896 L HA 0.065 4.405 4.340 -0.000 0.000 0.224 896 L C 0.117 176.945 176.870 -0.071 0.000 1.148 896 L CA 1.654 56.355 54.840 -0.230 0.000 0.825 896 L CB -0.452 41.507 42.059 -0.167 0.000 0.937 896 L HN 0.538 nan 8.230 nan 0.000 0.450 897 N N -1.563 117.241 118.700 0.173 0.000 2.275 897 N HA 0.250 4.990 4.740 -0.000 0.000 0.236 897 N C -1.274 174.186 175.510 -0.084 0.000 1.154 897 N CA -0.192 52.882 53.050 0.041 0.000 0.866 897 N CB 0.944 39.461 38.487 0.049 0.000 1.093 897 N HN 0.028 nan 8.380 nan 0.000 0.515 898 V N 1.317 121.163 119.914 -0.114 0.000 2.668 898 V HA 0.169 4.289 4.120 -0.000 0.000 0.304 898 V C 0.149 176.170 176.094 -0.121 0.000 1.071 898 V CA -1.276 60.955 62.300 -0.115 0.000 0.894 898 V CB 1.835 33.597 31.823 -0.102 0.000 1.008 898 V HN -0.011 nan 8.190 nan 0.000 0.425 899 V N 2.939 122.797 119.914 -0.093 0.000 2.539 899 V HA 0.121 4.241 4.120 -0.000 0.000 0.300 899 V C 0.551 176.599 176.094 -0.077 0.000 1.019 899 V CA 0.019 62.265 62.300 -0.090 0.000 1.160 899 V CB -0.270 31.493 31.823 -0.100 0.000 0.901 899 V HN 1.056 nan 8.190 nan 0.000 0.481 900 N N 4.205 122.872 118.700 -0.055 0.000 2.498 900 N HA 0.458 5.198 4.740 -0.000 0.000 0.287 900 N C -0.465 175.069 175.510 0.041 0.000 1.097 900 N CA -1.002 52.053 53.050 0.007 0.000 0.973 900 N CB 2.047 40.592 38.487 0.097 0.000 1.153 900 N HN 0.688 nan 8.380 nan 0.000 0.472 901 L N 1.991 123.246 121.223 0.053 0.000 2.456 901 L HA 0.101 4.441 4.340 -0.000 0.000 0.272 901 L C 0.467 177.454 176.870 0.195 0.000 1.189 901 L CA 0.238 55.099 54.840 0.034 0.000 0.846 901 L CB 0.496 42.471 42.059 -0.140 0.000 1.111 901 L HN 0.741 nan 8.230 nan 0.000 0.475 902 L N 3.709 125.023 121.223 0.153 0.000 2.609 902 L HA 0.522 4.862 4.340 -0.000 0.000 0.230 902 L C 0.835 177.855 176.870 0.250 0.000 1.064 902 L CA 0.364 55.304 54.840 0.168 0.000 0.873 902 L CB 0.249 42.304 42.059 -0.006 0.000 1.139 902 L HN 0.829 nan 8.230 nan 0.000 0.490 903 G N -0.248 108.697 108.800 0.243 0.000 2.320 903 G HA2 0.605 4.565 3.960 -0.000 0.000 0.296 903 G HA3 0.605 4.565 3.960 -0.000 0.000 0.296 903 G C -2.210 172.828 174.900 0.231 0.000 1.306 903 G CA 0.115 45.419 45.100 0.341 0.000 0.836 903 G HN 0.062 nan 8.290 nan 0.000 0.517 904 A N -1.405 121.601 122.820 0.310 0.000 2.547 904 A HA 0.611 4.931 4.320 -0.000 0.000 0.297 904 A C -0.855 176.864 177.584 0.226 0.000 1.056 904 A CA -0.333 51.824 52.037 0.201 0.000 0.688 904 A CB 1.188 20.269 19.000 0.135 0.000 1.282 904 A HN 1.571 nan 8.150 nan 0.000 0.400 905 C N 2.855 122.240 119.300 0.141 0.000 2.146 905 C HA 0.527 4.987 4.460 -0.000 0.000 0.338 905 C C 1.770 176.789 174.990 0.050 0.000 1.074 905 C CA 0.354 59.446 59.018 0.124 0.000 1.527 905 C CB -1.023 26.789 27.740 0.120 0.000 1.915 905 C HN 0.969 nan 8.230 nan 0.000 0.453 906 T N -0.470 114.106 114.554 0.037 0.000 3.038 906 T HA 0.074 4.424 4.350 -0.000 0.000 0.244 906 T C 0.796 175.504 174.700 0.013 0.000 1.016 906 T CA -0.096 61.984 62.100 -0.033 0.000 1.098 906 T CB 0.014 68.758 68.868 -0.208 0.000 0.954 906 T HN 0.719 nan 8.240 nan 0.000 0.469 907 K N 2.219 122.649 120.400 0.050 0.000 2.339 907 K HA 0.246 4.566 4.320 -0.000 0.000 0.260 907 K C -2.657 173.962 176.600 0.032 0.000 0.989 907 K CA -1.160 55.156 56.287 0.047 0.000 0.888 907 K CB -1.041 31.495 32.500 0.060 0.000 0.983 907 K HN 0.057 nan 8.250 nan 0.000 0.515 908 P HA 0.060 nan 4.420 nan 0.000 0.268 908 P C 0.371 177.680 177.300 0.015 0.000 1.205 908 P CA 0.580 63.689 63.100 0.015 0.000 0.771 908 P CB 0.935 32.641 31.700 0.010 0.000 0.858 909 G N 0.520 109.329 108.800 0.014 0.000 2.705 909 G HA2 0.149 4.109 3.960 -0.000 0.000 0.193 909 G HA3 0.149 4.109 3.960 -0.000 0.000 0.193 909 G C 0.200 175.110 174.900 0.017 0.000 1.015 909 G CA 0.011 45.119 45.100 0.013 0.000 0.743 909 G HN 0.947 nan 8.290 nan 0.000 0.476 910 G N -0.239 108.576 108.800 0.024 0.000 2.619 910 G HA2 0.753 4.713 3.960 -0.000 0.000 0.305 910 G HA3 0.753 4.713 3.960 -0.000 0.000 0.305 910 G C -3.005 171.918 174.900 0.039 0.000 1.330 910 G CA 0.089 45.206 45.100 0.029 0.000 0.789 910 G HN 0.431 nan 8.290 nan 0.000 0.487 911 P HA 0.344 nan 4.420 nan 0.000 0.272 911 P C -0.407 176.922 177.300 0.048 0.000 1.223 911 P CA -0.435 62.698 63.100 0.054 0.000 0.784 911 P CB 1.396 33.123 31.700 0.046 0.000 0.923 912 L N 2.790 124.044 121.223 0.052 0.000 2.455 912 L HA 0.222 4.562 4.340 -0.000 0.000 0.272 912 L C -0.166 176.686 176.870 -0.030 0.000 1.174 912 L CA 0.880 55.714 54.840 -0.011 0.000 0.869 912 L CB -0.432 41.555 42.059 -0.120 0.000 1.130 912 L HN 0.321 nan 8.230 nan 0.000 0.474 913 M N 5.306 124.893 119.600 -0.021 0.000 2.327 913 M HA 0.437 4.917 4.480 -0.000 0.000 0.298 913 M C -1.231 175.059 176.300 -0.018 0.000 1.065 913 M CA -0.758 54.537 55.300 -0.008 0.000 0.916 913 M CB 2.225 34.845 32.600 0.035 0.000 1.630 913 M HN 0.257 nan 8.290 nan 0.000 0.442 914 V N 4.559 124.449 119.914 -0.040 0.000 2.398 914 V HA 0.545 4.665 4.120 -0.000 0.000 0.286 914 V C -0.366 175.705 176.094 -0.037 0.000 1.026 914 V CA -0.508 61.761 62.300 -0.052 0.000 0.868 914 V CB 1.677 33.445 31.823 -0.091 0.000 0.982 914 V HN 0.685 nan 8.190 nan 0.000 0.443 915 I N 6.023 126.580 120.570 -0.023 0.000 2.404 915 I HA 0.702 4.872 4.170 -0.000 0.000 0.293 915 I C -0.196 175.899 176.117 -0.038 0.000 0.992 915 I CA -0.785 60.495 61.300 -0.035 0.000 1.149 915 I CB 1.833 39.799 38.000 -0.056 0.000 1.315 915 I HN 0.510 nan 8.210 nan 0.000 0.446 916 V N 1.688 121.576 119.914 -0.042 0.000 3.141 916 V HA 0.598 4.718 4.120 -0.000 0.000 0.312 916 V C -0.461 175.624 176.094 -0.015 0.000 1.157 916 V CA -1.068 61.212 62.300 -0.032 0.000 1.041 916 V CB 1.782 33.569 31.823 -0.059 0.000 1.071 916 V HN 0.847 nan 8.190 nan 0.000 0.441 917 E N 1.243 121.439 120.200 -0.007 0.000 2.376 917 E HA 0.326 4.676 4.350 -0.000 0.000 0.266 917 E C -0.828 175.795 176.600 0.039 0.000 1.009 917 E CA -0.354 56.053 56.400 0.012 0.000 0.902 917 E CB 0.728 30.428 29.700 0.001 0.000 0.972 917 E HN 0.671 nan 8.360 nan 0.000 0.439 918 F N 3.632 123.528 119.950 -0.090 0.000 2.427 918 F HA 0.266 4.794 4.527 0.001 0.000 0.352 918 F C -0.718 175.028 175.800 -0.090 0.000 1.100 918 F CA -1.370 56.575 58.000 -0.092 0.000 1.191 918 F CB 0.640 39.583 39.000 -0.095 0.000 1.128 918 F HN 0.529 nan 8.300 nan 0.000 0.533 919 C N 7.363 126.131 119.300 -0.888 0.000 2.225 919 C HA 0.411 4.871 4.460 -0.000 0.000 0.328 919 C C 1.549 175.855 174.990 -1.140 0.000 1.187 919 C CA -0.230 58.345 59.018 -0.738 0.000 1.665 919 C CB -0.279 27.219 27.740 -0.402 0.000 2.253 919 C HN 1.086 nan 8.230 nan 0.000 0.497 920 K N 1.728 121.595 120.400 -0.887 0.000 2.160 920 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 920 K C 0.916 177.102 176.600 -0.689 0.000 1.047 920 K CA 1.773 57.608 56.287 -0.753 0.000 0.930 920 K CB -0.754 31.317 32.500 -0.715 0.000 0.720 920 K HN 0.807 nan 8.250 nan 0.000 0.450 921 F N -0.041 119.754 119.950 -0.257 0.000 2.693 921 F HA 0.367 4.894 4.527 0.001 0.000 0.303 921 F C 1.599 177.315 175.800 -0.140 0.000 1.097 921 F CA 0.147 58.034 58.000 -0.188 0.000 1.330 921 F CB -0.036 38.780 39.000 -0.305 0.000 1.067 921 F HN 0.553 nan 8.300 nan 0.000 0.565 922 G N 1.511 110.286 108.800 -0.041 0.000 2.752 922 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.234 922 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.234 922 G C -0.280 174.635 174.900 0.026 0.000 1.367 922 G CA -0.399 44.713 45.100 0.020 0.000 0.879 922 G HN 0.658 nan 8.290 nan 0.000 0.563 923 N N -0.827 117.907 118.700 0.057 0.000 2.415 923 N HA 0.365 5.105 4.740 -0.000 0.000 0.248 923 N C 1.429 176.960 175.510 0.034 0.000 1.271 923 N CA 0.053 53.126 53.050 0.039 0.000 0.913 923 N CB 0.749 39.258 38.487 0.037 0.000 1.129 923 N HN 0.770 nan 8.380 nan 0.000 0.444 924 L N 1.338 122.555 121.223 -0.010 0.000 2.017 924 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 924 L C 2.449 179.345 176.870 0.043 0.000 1.073 924 L CA 1.716 56.548 54.840 -0.014 0.000 0.745 924 L CB -1.261 40.738 42.059 -0.100 0.000 0.894 924 L HN 0.915 nan 8.230 nan 0.000 0.432 925 S N -1.653 114.063 115.700 0.027 0.000 2.353 925 S HA -0.240 4.230 4.470 -0.000 0.000 0.222 925 S C 1.972 176.588 174.600 0.026 0.000 1.035 925 S CA 2.170 60.389 58.200 0.032 0.000 1.025 925 S CB -0.507 62.726 63.200 0.056 0.000 0.902 925 S HN 0.629 nan 8.310 nan 0.000 0.440 926 T N 0.606 115.184 114.554 0.041 0.000 2.720 926 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 926 T C 1.493 176.219 174.700 0.044 0.000 1.037 926 T CA 1.666 63.789 62.100 0.039 0.000 1.144 926 T CB -0.640 68.258 68.868 0.050 0.000 0.864 926 T HN 0.592 nan 8.240 nan 0.000 0.444 927 Y N 1.861 122.143 120.300 -0.031 0.000 2.097 927 Y HA -0.097 4.453 4.550 -0.000 0.000 0.282 927 Y C 2.039 177.904 175.900 -0.058 0.000 1.152 927 Y CA 1.070 59.145 58.100 -0.041 0.000 1.136 927 Y CB -0.647 37.769 38.460 -0.072 0.000 0.975 927 Y HN 0.130 nan 8.280 nan 0.000 0.498 928 L N -0.339 120.766 121.223 -0.197 0.000 2.083 928 L HA -0.235 4.104 4.340 -0.000 0.000 0.209 928 L C 2.634 179.349 176.870 -0.258 0.000 1.083 928 L CA 1.507 56.184 54.840 -0.271 0.000 0.752 928 L CB -0.541 41.428 42.059 -0.149 0.000 0.899 928 L HN 0.170 nan 8.230 nan 0.000 0.433 929 R N -0.073 120.331 120.500 -0.160 0.000 2.096 929 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 929 R C 2.418 178.639 176.300 -0.132 0.000 1.127 929 R CA 1.713 57.743 56.100 -0.118 0.000 0.968 929 R CB -0.305 29.963 30.300 -0.053 0.000 0.861 929 R HN 0.426 nan 8.270 nan 0.000 0.440 930 S N -0.099 115.502 115.700 -0.165 0.000 2.603 930 S HA 0.074 4.544 4.470 -0.000 0.000 0.220 930 S C 1.378 175.857 174.600 -0.201 0.000 0.967 930 S CA 0.427 58.538 58.200 -0.148 0.000 0.920 930 S CB 0.345 63.477 63.200 -0.112 0.000 0.773 930 S HN 0.006 nan 8.310 nan 0.000 0.529 931 K N 1.068 121.294 120.400 -0.289 0.000 2.373 931 K HA 0.341 4.661 4.320 -0.000 0.000 0.202 931 K C 1.506 178.027 176.600 -0.132 0.000 1.025 931 K CA -0.157 55.978 56.287 -0.253 0.000 1.115 931 K CB 0.031 32.282 32.500 -0.414 0.000 0.858 931 K HN 0.404 nan 8.250 nan 0.000 0.525 932 R N 0.673 121.091 120.500 -0.136 0.000 2.105 932 R HA -0.021 4.318 4.340 -0.000 0.000 0.239 932 R C 0.968 177.280 176.300 0.020 0.000 1.135 932 R CA 1.070 57.112 56.100 -0.097 0.000 0.967 932 R CB 0.004 30.257 30.300 -0.078 0.000 0.861 932 R HN 0.114 nan 8.270 nan 0.000 0.442 933 N N 0.439 119.156 118.700 0.028 0.000 2.362 933 N HA -0.026 4.714 4.740 -0.000 0.000 0.204 933 N C 0.093 175.681 175.510 0.130 0.000 1.166 933 N CA 0.777 53.870 53.050 0.072 0.000 0.831 933 N CB 1.046 39.562 38.487 0.047 0.000 1.008 933 N HN 0.423 nan 8.380 nan 0.000 0.472 934 E N 0.104 120.401 120.200 0.162 0.000 3.586 934 E HA 0.157 4.507 4.350 -0.000 0.000 0.175 934 E C -1.168 175.632 176.600 0.333 0.000 0.980 934 E CA -0.610 55.984 56.400 0.325 0.000 1.391 934 E CB -0.509 29.299 29.700 0.180 0.000 1.101 934 E HN 0.241 nan 8.360 nan 0.000 0.440 935 F N 0.882 120.841 119.950 0.014 0.000 2.508 935 F HA 0.685 5.212 4.527 -0.000 0.000 0.325 935 F C -0.319 175.409 175.800 -0.121 0.000 1.090 935 F CA -1.357 56.595 58.000 -0.079 0.000 0.945 935 F CB 2.320 41.216 39.000 -0.173 0.000 1.156 935 F HN 0.180 nan 8.300 nan 0.000 0.463 936 V N 5.334 124.631 119.914 -1.028 0.000 2.524 936 V HA 0.477 4.597 4.120 -0.000 0.000 0.297 936 V C -2.096 173.437 176.094 -0.935 0.000 1.035 936 V CA -1.717 60.132 62.300 -0.752 0.000 0.867 936 V CB 1.241 32.722 31.823 -0.569 0.000 1.004 936 V HN 0.669 nan 8.190 nan 0.000 0.426 937 P HA -0.196 nan 4.420 nan 0.000 0.219 937 P C 0.449 177.623 177.300 -0.210 0.000 1.159 937 P CA 3.444 66.418 63.100 -0.210 0.000 0.944 937 P CB -0.097 31.617 31.700 0.024 0.000 0.792 938 Y N -2.660 117.535 120.300 -0.174 0.000 2.504 938 Y HA 0.694 5.243 4.550 -0.000 0.000 0.344 938 Y C 0.409 176.230 175.900 -0.132 0.000 1.023 938 Y CA -1.047 56.977 58.100 -0.126 0.000 1.020 938 Y CB 0.884 39.304 38.460 -0.067 0.000 1.282 938 Y HN 0.244 nan 8.280 nan 0.000 0.454 1000 L N 2.875 124.091 121.223 -0.012 0.000 2.357 1000 L HA 0.701 5.041 4.340 -0.000 0.000 0.273 1000 L C 0.121 176.830 176.870 -0.268 0.000 1.080 1000 L CA -0.111 54.596 54.840 -0.221 0.000 0.803 1000 L CB 1.951 44.043 42.059 0.055 0.000 1.174 1000 L HN 0.826 nan 8.230 nan 0.000 0.443 1001 T N -0.440 114.051 114.554 -0.106 0.000 2.858 1001 T HA 0.310 4.659 4.350 -0.000 0.000 0.285 1001 T C 0.835 175.560 174.700 0.041 0.000 1.052 1001 T CA -0.830 61.164 62.100 -0.176 0.000 1.009 1001 T CB 1.100 69.983 68.868 0.024 0.000 1.241 1001 T HN 0.505 nan 8.240 nan 0.000 0.542 1002 L N 0.334 121.570 121.223 0.022 0.000 2.217 1002 L HA 0.038 4.378 4.340 -0.000 0.000 0.211 1002 L C 2.918 179.867 176.870 0.131 0.000 1.107 1002 L CA 1.432 56.396 54.840 0.207 0.000 0.783 1002 L CB -0.332 41.841 42.059 0.190 0.000 0.919 1002 L HN 0.924 nan 8.230 nan 0.000 0.442 1003 E N -0.514 119.704 120.200 0.029 0.000 2.118 1003 E HA -0.284 4.066 4.350 -0.000 0.000 0.195 1003 E C 1.872 178.362 176.600 -0.184 0.000 0.992 1003 E CA 1.627 57.975 56.400 -0.086 0.000 0.804 1003 E CB 0.009 29.601 29.700 -0.180 0.000 0.741 1003 E HN 0.606 nan 8.360 nan 0.000 0.458 1004 H N 0.530 119.478 119.070 -0.203 0.000 2.299 1004 H HA -0.068 4.488 4.556 -0.000 0.000 0.302 1004 H C 2.235 177.162 175.328 -0.668 0.000 1.078 1004 H CA 1.702 57.453 56.048 -0.494 0.000 1.323 1004 H CB -0.277 29.197 29.762 -0.480 0.000 1.381 1004 H HN 0.133 nan 8.280 nan 0.000 0.498 1005 L N -0.033 121.067 121.223 -0.206 0.000 2.081 1005 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 1005 L C 2.121 178.948 176.870 -0.071 0.000 1.080 1005 L CA 1.288 55.989 54.840 -0.232 0.000 0.754 1005 L CB -0.509 41.304 42.059 -0.409 0.000 0.893 1005 L HN 0.298 nan 8.230 nan 0.000 0.433 1006 I N -1.131 119.500 120.570 0.102 0.000 2.353 1006 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 1006 I C 2.762 178.981 176.117 0.169 0.000 1.119 1006 I CA 0.760 62.195 61.300 0.225 0.000 1.417 1006 I CB -0.317 37.775 38.000 0.153 0.000 1.078 1006 I HN 0.414 nan 8.210 nan 0.000 0.421 1007 C N 0.396 119.718 119.300 0.037 0.000 2.440 1007 C HA -0.187 4.273 4.460 -0.000 0.000 0.278 1007 C C 2.862 178.013 174.990 0.268 0.000 1.295 1007 C CA 0.640 59.725 59.018 0.111 0.000 1.738 1007 C CB -0.866 26.828 27.740 -0.078 0.000 1.987 1007 C HN 0.437 nan 8.230 nan 0.000 0.492 1008 Y N 1.354 121.740 120.300 0.144 0.000 2.163 1008 Y HA -0.054 4.496 4.550 0.000 0.000 0.288 1008 Y C 2.935 178.927 175.900 0.154 0.000 1.136 1008 Y CA 1.593 59.756 58.100 0.105 0.000 1.147 1008 Y CB -1.290 37.192 38.460 0.037 0.000 0.987 1008 Y HN 0.288 nan 8.280 nan 0.000 0.509 1009 S N 0.167 116.082 115.700 0.358 0.000 2.370 1009 S HA -0.191 4.279 4.470 -0.000 0.000 0.226 1009 S C 1.864 176.772 174.600 0.513 0.000 1.033 1009 S CA 1.290 59.721 58.200 0.385 0.000 1.011 1009 S CB -0.752 62.684 63.200 0.393 0.000 0.852 1009 S HN 0.392 nan 8.310 nan 0.000 0.457 1010 F N 2.494 122.603 119.950 0.264 0.000 2.031 1010 F HA -0.153 4.374 4.527 0.000 0.000 0.295 1010 F C 2.419 178.327 175.800 0.180 0.000 1.133 1010 F CA 1.641 59.766 58.000 0.208 0.000 1.188 1010 F CB -1.103 37.978 39.000 0.135 0.000 0.974 1010 F HN 0.172 nan 8.300 nan 0.000 0.473 1011 Q N -0.319 119.510 119.800 0.049 0.000 2.133 1011 Q HA -0.221 4.119 4.340 -0.000 0.000 0.208 1011 Q C 2.282 178.247 176.000 -0.059 0.000 0.991 1011 Q CA 2.215 57.963 55.803 -0.091 0.000 0.867 1011 Q CB -0.632 28.145 28.738 0.064 0.000 0.911 1011 Q HN 0.370 nan 8.270 nan 0.000 0.417 1012 V N 0.694 120.655 119.914 0.078 0.000 2.358 1012 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 1012 V C 2.249 178.317 176.094 -0.043 0.000 1.047 1012 V CA 1.722 64.067 62.300 0.076 0.000 1.035 1012 V CB -0.940 31.043 31.823 0.267 0.000 0.658 1012 V HN 0.411 nan 8.190 nan 0.000 0.452 1013 A N -0.542 122.284 122.820 0.009 0.000 1.933 1013 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 1013 A C 2.317 179.743 177.584 -0.262 0.000 1.175 1013 A CA 1.970 53.856 52.037 -0.251 0.000 0.628 1013 A CB -0.411 18.576 19.000 -0.022 0.000 0.814 1013 A HN 0.528 nan 8.150 nan 0.000 0.444 1014 K N -0.964 119.279 120.400 -0.261 0.000 2.057 1014 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 1014 K C 2.190 178.617 176.600 -0.289 0.000 1.050 1014 K CA 0.994 57.142 56.287 -0.231 0.000 0.935 1014 K CB -0.457 31.890 32.500 -0.255 0.000 0.715 1014 K HN 0.465 nan 8.250 nan 0.000 0.439 1015 G N 1.240 109.831 108.800 -0.349 0.000 2.440 1015 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 1015 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 1015 G C 1.421 176.099 174.900 -0.370 0.000 1.154 1015 G CA 0.751 45.572 45.100 -0.465 0.000 0.767 1015 G HN 0.093 nan 8.290 nan 0.000 0.552 1016 M N 0.403 119.710 119.600 -0.488 0.000 2.229 1016 M HA 0.041 4.520 4.480 -0.000 0.000 0.264 1016 M C 2.208 178.191 176.300 -0.528 0.000 1.063 1016 M CA 0.924 55.763 55.300 -0.768 0.000 1.114 1016 M CB -0.971 30.512 32.600 -1.861 0.000 1.387 1016 M HN 0.478 nan 8.290 nan 0.000 0.420 1017 E N -0.326 119.688 120.200 -0.309 0.000 2.072 1017 E HA -0.216 4.133 4.350 -0.000 0.000 0.191 1017 E C 1.961 178.552 176.600 -0.016 0.000 0.985 1017 E CA 0.974 57.346 56.400 -0.047 0.000 0.801 1017 E CB -0.125 29.587 29.700 0.020 0.000 0.750 1017 E HN 0.338 nan 8.360 nan 0.000 0.452 1018 F N 1.327 121.142 119.950 -0.225 0.000 2.102 1018 F HA -0.166 4.360 4.527 -0.001 0.000 0.298 1018 F C 1.873 177.588 175.800 -0.141 0.000 1.105 1018 F CA 1.452 59.340 58.000 -0.187 0.000 1.239 1018 F CB -0.281 38.472 39.000 -0.412 0.000 0.991 1018 F HN 0.001 nan 8.300 nan 0.000 0.474 1019 L N -0.182 120.937 121.223 -0.174 0.000 2.046 1019 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 1019 L C 2.774 179.551 176.870 -0.154 0.000 1.077 1019 L CA 1.157 55.873 54.840 -0.206 0.000 0.747 1019 L CB -1.228 40.772 42.059 -0.099 0.000 0.896 1019 L HN 0.254 nan 8.230 nan 0.000 0.432 1020 A N 0.158 122.931 122.820 -0.079 0.000 1.930 1020 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 1020 A C 2.468 180.033 177.584 -0.032 0.000 1.175 1020 A CA 1.736 53.782 52.037 0.015 0.000 0.627 1020 A CB -0.674 18.417 19.000 0.151 0.000 0.815 1020 A HN 0.511 nan 8.150 nan 0.000 0.443 1021 S N -0.815 114.836 115.700 -0.081 0.000 2.537 1021 S HA -0.066 4.404 4.470 -0.000 0.000 0.240 1021 S C 1.396 175.913 174.600 -0.139 0.000 0.981 1021 S CA 0.811 58.957 58.200 -0.090 0.000 0.948 1021 S CB -0.213 62.935 63.200 -0.087 0.000 0.759 1021 S HN 0.505 nan 8.310 nan 0.000 0.531 1022 R N 0.416 120.802 120.500 -0.189 0.000 2.472 1022 R HA 0.302 4.642 4.340 -0.000 0.000 0.279 1022 R C 0.980 177.255 176.300 -0.040 0.000 0.953 1022 R CA 0.637 56.645 56.100 -0.153 0.000 1.088 1022 R CB -0.494 29.637 30.300 -0.282 0.000 1.197 1022 R HN 0.526 nan 8.270 nan 0.000 0.536 1023 K N 0.009 120.389 120.400 -0.034 0.000 3.192 1023 K HA -0.178 4.142 4.320 -0.000 0.000 0.278 1023 K C -0.005 176.592 176.600 -0.005 0.000 1.164 1023 K CA 1.282 57.567 56.287 -0.004 0.000 0.816 1023 K CB -3.129 29.374 32.500 0.006 0.000 1.256 1023 K HN 0.374 nan 8.250 nan 0.000 0.497 1024 C N -0.562 118.728 119.300 -0.018 0.000 2.399 1024 C HA 0.933 5.393 4.460 -0.000 0.000 0.348 1024 C C 0.675 175.671 174.990 0.010 0.000 1.183 1024 C CA -0.795 58.211 59.018 -0.019 0.000 2.023 1024 C CB 1.012 28.727 27.740 -0.041 0.000 2.361 1024 C HN 0.676 nan 8.230 nan 0.000 0.521 1025 I N 1.855 122.427 120.570 0.004 0.000 2.466 1025 I HA 0.222 4.392 4.170 -0.000 0.000 0.289 1025 I C 1.032 177.159 176.117 0.017 0.000 1.026 1025 I CA -0.378 60.948 61.300 0.044 0.000 1.078 1025 I CB 1.392 39.411 38.000 0.032 0.000 1.249 1025 I HN 0.798 nan 8.210 nan 0.000 0.429 1026 H N 6.435 125.507 119.070 0.003 0.000 2.333 1026 H HA 0.054 4.610 4.556 -0.000 0.000 0.302 1026 H C 1.091 176.398 175.328 -0.035 0.000 1.075 1026 H CA 1.875 57.915 56.048 -0.014 0.000 1.348 1026 H CB 0.480 30.249 29.762 0.011 0.000 1.393 1026 H HN 0.621 nan 8.280 nan 0.000 0.509 1027 R N -0.788 119.815 120.500 0.172 0.000 3.884 1027 R HA -0.189 4.151 4.340 -0.000 0.000 0.464 1027 R C -0.442 175.976 176.300 0.196 0.000 0.963 1027 R CA 1.332 57.455 56.100 0.038 0.000 1.408 1027 R CB -1.346 28.755 30.300 -0.332 0.000 2.054 1027 R HN 0.331 nan 8.270 nan 0.000 0.522 1028 D N 0.080 120.732 120.400 0.420 0.000 2.992 1028 D HA 0.147 4.787 4.640 -0.000 0.000 0.372 1028 D C -1.196 175.179 176.300 0.124 0.000 1.374 1028 D CA -0.392 53.780 54.000 0.287 0.000 0.769 1028 D CB 0.374 41.304 40.800 0.218 0.000 1.215 1028 D HN -0.026 nan 8.370 nan 0.000 0.473 1029 L N 1.787 123.029 121.223 0.032 0.000 2.418 1029 L HA 0.628 4.968 4.340 -0.000 0.000 0.274 1029 L C -0.340 176.452 176.870 -0.130 0.000 1.135 1029 L CA 0.188 54.922 54.840 -0.175 0.000 0.870 1029 L CB 0.076 42.160 42.059 0.042 0.000 1.154 1029 L HN 0.268 nan 8.230 nan 0.000 0.462 1030 A N 3.879 126.557 122.820 -0.237 0.000 2.590 1030 A HA 0.634 4.954 4.320 -0.000 0.000 0.294 1030 A C 0.593 178.062 177.584 -0.191 0.000 1.046 1030 A CA -0.163 51.656 52.037 -0.363 0.000 0.684 1030 A CB 0.117 18.509 19.000 -1.012 0.000 1.279 1030 A HN 1.014 nan 8.150 nan 0.000 0.415 1031 A N 0.735 123.513 122.820 -0.070 0.000 1.971 1031 A HA -0.042 4.278 4.320 -0.000 0.000 0.222 1031 A C 2.387 179.941 177.584 -0.049 0.000 1.182 1031 A CA 3.643 55.669 52.037 -0.018 0.000 0.649 1031 A CB -1.051 17.986 19.000 0.062 0.000 0.818 1031 A HN 2.220 nan 8.150 nan 0.000 0.458 1032 R N -0.117 120.319 120.500 -0.107 0.000 2.105 1032 R HA -0.138 4.202 4.340 -0.000 0.000 0.239 1032 R C 1.610 177.912 176.300 0.004 0.000 1.135 1032 R CA 1.895 57.941 56.100 -0.091 0.000 0.967 1032 R CB -1.395 28.798 30.300 -0.178 0.000 0.861 1032 R HN 0.686 nan 8.270 nan 0.000 0.442 1033 N N 0.172 118.873 118.700 0.002 0.000 2.314 1033 N HA 0.125 4.865 4.740 -0.000 0.000 0.200 1033 N C -0.733 174.804 175.510 0.044 0.000 1.135 1033 N CA 0.122 53.240 53.050 0.113 0.000 0.835 1033 N CB 0.531 39.079 38.487 0.102 0.000 0.989 1033 N HN 0.275 nan 8.380 nan 0.000 0.478 1034 I N 2.203 122.774 120.570 0.001 0.000 2.330 1034 I HA 0.307 4.476 4.170 -0.000 0.000 0.289 1034 I C 0.210 176.303 176.117 -0.040 0.000 1.001 1034 I CA -0.422 60.856 61.300 -0.037 0.000 1.193 1034 I CB 0.891 38.855 38.000 -0.059 0.000 1.345 1034 I HN -0.227 nan 8.210 nan 0.000 0.461 1035 L N 5.920 127.108 121.223 -0.058 0.000 2.334 1035 L HA 0.543 4.882 4.340 -0.000 0.000 0.270 1035 L C -0.450 176.338 176.870 -0.136 0.000 1.018 1035 L CA -1.082 53.710 54.840 -0.080 0.000 0.811 1035 L CB 2.119 44.127 42.059 -0.085 0.000 1.271 1035 L HN 0.288 nan 8.230 nan 0.000 0.443 1036 L N 0.471 121.605 121.223 -0.148 0.000 2.325 1036 L HA 0.565 4.905 4.340 -0.000 0.000 0.278 1036 L C -0.112 176.733 176.870 -0.042 0.000 1.023 1036 L CA 0.486 55.227 54.840 -0.165 0.000 0.811 1036 L CB 1.804 43.673 42.059 -0.317 0.000 1.249 1036 L HN 0.639 nan 8.230 nan 0.000 0.431 1037 S N 0.981 116.682 115.700 0.002 0.000 2.900 1037 S HA 0.538 5.007 4.470 -0.000 0.000 0.320 1037 S C -1.100 173.606 174.600 0.176 0.000 1.130 1037 S CA -0.822 57.413 58.200 0.058 0.000 0.863 1037 S CB 1.097 64.281 63.200 -0.027 0.000 1.295 1037 S HN 0.507 nan 8.310 nan 0.000 0.596 1038 E N 1.946 122.228 120.200 0.137 0.000 2.383 1038 E HA 0.402 4.752 4.350 -0.000 0.000 0.264 1038 E C 0.332 176.982 176.600 0.084 0.000 1.050 1038 E CA 0.478 56.972 56.400 0.155 0.000 0.896 1038 E CB 0.495 30.256 29.700 0.101 0.000 0.982 1038 E HN 0.847 nan 8.360 nan 0.000 0.424 1039 K N 1.965 122.409 120.400 0.074 0.000 3.251 1039 K HA -0.275 4.045 4.320 -0.000 0.000 0.282 1039 K C 0.216 176.855 176.600 0.064 0.000 1.201 1039 K CA 1.384 57.704 56.287 0.055 0.000 0.827 1039 K CB -2.860 29.667 32.500 0.045 0.000 1.286 1039 K HN 0.910 nan 8.250 nan 0.000 0.503 1040 N N -2.679 116.062 118.700 0.067 0.000 2.758 1040 N HA -0.127 4.613 4.740 -0.000 0.000 0.248 1040 N C -0.285 175.333 175.510 0.180 0.000 1.076 1040 N CA 0.576 53.724 53.050 0.163 0.000 0.696 1040 N CB -1.009 37.585 38.487 0.179 0.000 0.979 1040 N HN 0.717 nan 8.380 nan 0.000 0.550 1041 V N 0.871 120.834 119.914 0.082 0.000 2.417 1041 V HA 0.577 4.697 4.120 -0.000 0.000 0.291 1041 V C 0.650 176.735 176.094 -0.014 0.000 1.024 1041 V CA -0.887 61.446 62.300 0.055 0.000 0.861 1041 V CB 1.604 33.441 31.823 0.023 0.000 0.985 1041 V HN 0.123 nan 8.190 nan 0.000 0.436 1042 V N 2.423 122.327 119.914 -0.016 0.000 2.612 1042 V HA 0.734 4.854 4.120 -0.000 0.000 0.301 1042 V C -0.441 175.613 176.094 -0.067 0.000 1.046 1042 V CA -0.803 61.437 62.300 -0.100 0.000 0.946 1042 V CB 1.563 33.294 31.823 -0.154 0.000 1.003 1042 V HN 0.853 nan 8.190 nan 0.000 0.459 1043 K N 4.001 124.350 120.400 -0.086 0.000 2.378 1043 K HA 0.614 4.934 4.320 -0.000 0.000 0.252 1043 K C -1.097 175.460 176.600 -0.072 0.000 0.931 1043 K CA -0.704 55.536 56.287 -0.078 0.000 0.794 1043 K CB 2.700 35.147 32.500 -0.087 0.000 1.181 1043 K HN 0.696 nan 8.250 nan 0.000 0.425 1044 I N 3.640 124.171 120.570 -0.066 0.000 2.471 1044 I HA 0.068 4.238 4.170 -0.000 0.000 0.286 1044 I C 0.557 176.673 176.117 -0.001 0.000 1.079 1044 I CA -0.105 61.171 61.300 -0.041 0.000 1.398 1044 I CB 0.142 38.116 38.000 -0.042 0.000 1.403 1044 I HN 0.767 nan 8.210 nan 0.000 0.530 1045 C N 3.605 122.931 119.300 0.044 0.000 3.321 1045 C HA 0.768 5.228 4.460 -0.000 0.000 0.363 1045 C C -1.131 173.952 174.990 0.154 0.000 1.705 1045 C CA -0.641 58.389 59.018 0.022 0.000 1.298 1045 C CB 1.977 29.649 27.740 -0.113 0.000 2.086 1045 C HN 0.730 nan 8.230 nan 0.000 0.438 1046 D N -0.420 119.972 120.400 -0.014 0.000 2.738 1046 D HA 0.552 5.192 4.640 -0.000 0.000 0.218 1046 D C -1.173 175.093 176.300 -0.056 0.000 1.345 1046 D CA -0.178 53.844 54.000 0.036 0.000 0.943 1046 D CB 1.037 41.771 40.800 -0.109 0.000 1.514 1046 D HN 0.432 nan 8.370 nan 0.000 0.585 1069 L N 0.641 122.023 121.223 0.266 0.000 2.042 1069 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 1069 L C 2.746 179.745 176.870 0.215 0.000 1.076 1069 L CA 2.348 57.308 54.840 0.200 0.000 0.749 1069 L CB -0.745 41.380 42.059 0.110 0.000 0.893 1069 L HN 0.305 nan 8.230 nan 0.000 0.432 1070 K N -0.835 119.590 120.400 0.041 0.000 2.362 1070 K HA -0.207 4.112 4.320 -0.000 0.000 0.202 1070 K C 1.445 177.944 176.600 -0.168 0.000 1.045 1070 K CA 1.558 57.731 56.287 -0.190 0.000 0.936 1070 K CB -0.831 31.191 32.500 -0.796 0.000 0.747 1070 K HN 0.529 nan 8.250 nan 0.000 0.467 1071 W N -1.129 120.373 121.300 0.338 0.000 2.870 1071 W HA 0.384 5.044 4.660 0.000 0.000 0.358 1071 W C 0.084 176.871 176.519 0.447 0.000 1.043 1071 W CA -0.582 57.003 57.345 0.400 0.000 1.692 1071 W CB 0.073 29.715 29.460 0.303 0.000 1.100 1071 W HN 0.139 nan 8.180 nan 0.000 0.557 1072 M N 0.605 120.482 119.600 0.460 0.000 2.249 1072 M HA 0.431 4.911 4.480 -0.000 0.000 0.351 1072 M C 0.666 176.845 176.300 -0.201 0.000 1.180 1072 M CA -0.132 55.292 55.300 0.207 0.000 1.127 1072 M CB 1.219 33.887 32.600 0.113 0.000 1.546 1072 M HN -0.268 nan 8.290 nan 0.000 0.461 1073 A N 3.741 126.225 122.820 -0.561 0.000 2.296 1073 A HA 0.415 4.735 4.320 -0.000 0.000 0.264 1073 A C -1.973 175.112 177.584 -0.831 0.000 1.097 1073 A CA -1.342 49.846 52.037 -1.415 0.000 0.811 1073 A CB -0.326 18.171 19.000 -0.840 0.000 1.072 1073 A HN 0.595 nan 8.150 nan 0.000 0.495 1074 P HA -0.221 nan 4.420 nan 0.000 0.213 1074 P C 1.392 178.496 177.300 -0.327 0.000 1.170 1074 P CA 1.809 64.614 63.100 -0.492 0.000 0.898 1074 P CB -0.066 31.384 31.700 -0.416 0.000 0.787 1075 E N -0.663 119.371 120.200 -0.276 0.000 2.147 1075 E HA -0.223 4.127 4.350 -0.000 0.000 0.199 1075 E C 1.474 177.950 176.600 -0.207 0.000 1.005 1075 E CA 2.085 58.371 56.400 -0.190 0.000 0.810 1075 E CB -1.924 27.695 29.700 -0.135 0.000 0.736 1075 E HN 0.215 nan 8.360 nan 0.000 0.460 1076 T N 1.332 115.730 114.554 -0.261 0.000 2.904 1076 T HA 0.064 4.414 4.350 -0.000 0.000 0.267 1076 T C 2.088 176.614 174.700 -0.289 0.000 1.059 1076 T CA 0.981 62.880 62.100 -0.336 0.000 1.137 1076 T CB -0.087 68.554 68.868 -0.378 0.000 0.879 1076 T HN 0.152 nan 8.240 nan 0.000 0.467 1077 I N 0.280 120.711 120.570 -0.231 0.000 2.235 1077 I HA -0.011 4.159 4.170 -0.000 0.000 0.241 1077 I C 2.805 178.836 176.117 -0.142 0.000 1.085 1077 I CA 1.573 62.776 61.300 -0.163 0.000 1.378 1077 I CB -0.532 37.377 38.000 -0.152 0.000 1.076 1077 I HN 0.303 nan 8.210 nan 0.000 0.415 1078 F N 1.026 120.883 119.950 -0.155 0.000 2.059 1078 F HA -0.148 4.379 4.527 -0.000 0.000 0.289 1078 F C 2.157 177.892 175.800 -0.108 0.000 1.128 1078 F CA 1.874 59.800 58.000 -0.122 0.000 1.181 1078 F CB -1.168 37.756 39.000 -0.126 0.000 1.012 1078 F HN 0.092 nan 8.300 nan 0.000 0.473 1079 D N -0.287 120.042 120.400 -0.118 0.000 2.355 1079 D HA 0.223 4.863 4.640 -0.000 0.000 0.218 1079 D C 1.578 177.810 176.300 -0.112 0.000 1.004 1079 D CA 1.122 55.063 54.000 -0.098 0.000 0.880 1079 D CB -0.567 40.182 40.800 -0.085 0.000 0.911 1079 D HN 0.570 nan 8.370 nan 0.000 0.528 1080 R N 0.411 120.810 120.500 -0.167 0.000 3.516 1080 R HA -0.215 4.125 4.340 -0.000 0.000 0.271 1080 R C 1.363 177.529 176.300 -0.224 0.000 1.098 1080 R CA 0.999 56.960 56.100 -0.231 0.000 0.732 1080 R CB -3.157 27.060 30.300 -0.138 0.000 1.152 1080 R HN 0.231 nan 8.270 nan 0.000 0.455 1081 V N -1.565 118.235 119.914 -0.189 0.000 2.232 1081 V HA 0.062 4.182 4.120 -0.000 0.000 0.237 1081 V C 1.451 177.568 176.094 0.038 0.000 1.035 1081 V CA 2.045 64.302 62.300 -0.072 0.000 0.988 1081 V CB -0.501 31.296 31.823 -0.044 0.000 0.636 1081 V HN 1.321 nan 8.190 nan 0.000 0.456 1082 Y N 0.144 120.458 120.300 0.022 0.000 2.948 1082 Y HA -0.123 4.427 4.550 -0.000 0.000 0.060 1082 Y C 0.257 176.189 175.900 0.053 0.000 2.308 1082 Y CA -0.145 57.983 58.100 0.047 0.000 1.107 1082 Y CB -1.144 37.344 38.460 0.045 0.000 1.804 1082 Y HN 0.615 nan 8.280 nan 0.000 0.296 1083 T N -2.119 112.574 114.554 0.231 0.000 2.807 1083 T HA 0.597 4.947 4.350 -0.000 0.000 0.277 1083 T C 0.422 175.228 174.700 0.176 0.000 1.006 1083 T CA -0.412 61.783 62.100 0.158 0.000 1.006 1083 T CB 1.656 70.587 68.868 0.104 0.000 1.274 1083 T HN 0.241 nan 8.240 nan 0.000 0.569 1084 I N 0.482 121.138 120.570 0.144 0.000 2.830 1084 I HA 0.022 4.192 4.170 -0.000 0.000 0.263 1084 I C 2.093 178.298 176.117 0.146 0.000 1.230 1084 I CA 1.224 62.632 61.300 0.181 0.000 1.480 1084 I CB -0.632 37.460 38.000 0.153 0.000 1.095 1084 I HN 0.518 nan 8.210 nan 0.000 0.455 1085 Q N -0.178 119.682 119.800 0.100 0.000 2.331 1085 Q HA 0.018 4.357 4.340 -0.000 0.000 0.203 1085 Q C 2.356 178.451 176.000 0.158 0.000 0.944 1085 Q CA 1.269 57.111 55.803 0.066 0.000 0.892 1085 Q CB -0.144 28.620 28.738 0.044 0.000 0.983 1085 Q HN 0.680 nan 8.270 nan 0.000 0.482 1086 S N 0.002 115.823 115.700 0.201 0.000 2.470 1086 S HA -0.048 4.422 4.470 -0.000 0.000 0.225 1086 S C 1.340 176.177 174.600 0.396 0.000 1.006 1086 S CA 0.539 58.897 58.200 0.263 0.000 0.934 1086 S CB 0.088 63.402 63.200 0.190 0.000 0.778 1086 S HN 0.102 nan 8.310 nan 0.000 0.517 1087 D N 1.848 122.471 120.400 0.371 0.000 2.144 1087 D HA -0.005 4.635 4.640 -0.000 0.000 0.200 1087 D C 1.989 178.615 176.300 0.542 0.000 0.978 1087 D CA 0.777 55.064 54.000 0.479 0.000 0.833 1087 D CB -0.285 40.831 40.800 0.526 0.000 0.961 1087 D HN 0.293 nan 8.370 nan 0.000 0.470 1088 V N 1.025 121.093 119.914 0.257 0.000 2.490 1088 V HA -0.186 3.934 4.120 -0.000 0.000 0.250 1088 V C 2.107 178.417 176.094 0.359 0.000 1.061 1088 V CA 1.086 63.422 62.300 0.060 0.000 1.064 1088 V CB -0.376 31.295 31.823 -0.253 0.000 0.670 1088 V HN 0.405 nan 8.190 nan 0.000 0.461 1089 W N 1.054 122.519 121.300 0.275 0.000 2.379 1089 W HA -0.160 4.500 4.660 -0.000 0.000 0.307 1089 W C 2.460 179.281 176.519 0.503 0.000 1.200 1089 W CA 1.823 59.406 57.345 0.397 0.000 1.297 1089 W CB -0.560 29.105 29.460 0.342 0.000 1.140 1089 W HN 0.322 nan 8.180 nan 0.000 0.507 1090 S N 1.126 117.306 115.700 0.800 0.000 2.370 1090 S HA -0.259 4.211 4.470 -0.000 0.000 0.226 1090 S C 1.586 176.528 174.600 0.569 0.000 1.033 1090 S CA 1.766 60.395 58.200 0.715 0.000 1.011 1090 S CB -1.178 62.384 63.200 0.604 0.000 0.852 1090 S HN 0.319 nan 8.310 nan 0.000 0.457 1091 F N 2.612 122.805 119.950 0.405 0.000 2.161 1091 F HA -0.078 4.449 4.527 -0.000 0.000 0.300 1091 F C 2.228 178.170 175.800 0.236 0.000 1.089 1091 F CA 1.148 59.350 58.000 0.337 0.000 1.282 1091 F CB -0.949 38.321 39.000 0.450 0.000 1.010 1091 F HN 0.218 nan 8.300 nan 0.000 0.485 1092 G N -0.378 108.497 108.800 0.124 0.000 2.422 1092 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 1092 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 1092 G C 1.681 176.629 174.900 0.081 0.000 1.146 1092 G CA 1.151 46.094 45.100 -0.261 0.000 0.769 1092 G HN 0.340 nan 8.290 nan 0.000 0.547 1093 V N 0.639 120.840 119.914 0.479 0.000 2.548 1093 V HA -0.057 4.063 4.120 -0.000 0.000 0.249 1093 V C 2.586 178.973 176.094 0.488 0.000 1.055 1093 V CA 1.324 63.960 62.300 0.559 0.000 1.065 1093 V CB -0.288 31.809 31.823 0.456 0.000 0.681 1093 V HN 0.348 nan 8.190 nan 0.000 0.462 1094 L N -0.264 121.156 121.223 0.327 0.000 2.093 1094 L HA -0.083 4.256 4.340 -0.000 0.000 0.208 1094 L C 2.166 179.086 176.870 0.084 0.000 1.085 1094 L CA 1.758 56.715 54.840 0.194 0.000 0.755 1094 L CB -0.431 41.650 42.059 0.038 0.000 0.904 1094 L HN 0.183 nan 8.230 nan 0.000 0.435 1095 L N -1.912 119.284 121.223 -0.046 0.000 2.017 1095 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 1095 L C 2.413 179.446 176.870 0.271 0.000 1.073 1095 L CA 1.932 56.800 54.840 0.048 0.000 0.745 1095 L CB -0.873 41.149 42.059 -0.062 0.000 0.894 1095 L HN 0.494 nan 8.230 nan 0.000 0.432 1096 W N 1.395 122.787 121.300 0.153 0.000 2.318 1096 W HA -0.248 4.412 4.660 -0.001 0.000 0.313 1096 W C 2.477 179.103 176.519 0.179 0.000 1.221 1096 W CA 1.979 59.459 57.345 0.225 0.000 1.266 1096 W CB -0.070 29.567 29.460 0.295 0.000 1.150 1096 W HN 0.110 nan 8.180 nan 0.000 0.496 1097 E N -0.167 120.263 120.200 0.384 0.000 2.118 1097 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 1097 E C 2.119 178.686 176.600 -0.056 0.000 0.992 1097 E CA 1.831 58.353 56.400 0.204 0.000 0.804 1097 E CB -0.458 29.446 29.700 0.340 0.000 0.741 1097 E HN 0.395 nan 8.360 nan 0.000 0.458 1098 I N -0.024 120.501 120.570 -0.076 0.000 2.163 1098 I HA -0.214 3.956 4.170 -0.000 0.000 0.240 1098 I C 1.324 177.172 176.117 -0.449 0.000 1.081 1098 I CA 0.964 62.107 61.300 -0.263 0.000 1.353 1098 I CB -0.105 37.688 38.000 -0.345 0.000 1.054 1098 I HN 0.025 nan 8.210 nan 0.000 0.407 1099 F N 0.829 120.688 119.950 -0.150 0.000 2.695 1099 F HA 0.006 4.533 4.527 0.000 0.000 0.301 1099 F C 1.793 177.447 175.800 -0.244 0.000 1.182 1099 F CA 0.205 58.107 58.000 -0.163 0.000 1.412 1099 F CB -0.406 38.537 39.000 -0.095 0.000 1.056 1099 F HN 0.084 nan 8.300 nan 0.000 0.522 1100 S N -1.840 113.693 115.700 -0.278 0.000 2.787 1100 S HA 0.210 4.680 4.470 -0.000 0.000 0.255 1100 S C 0.428 174.900 174.600 -0.212 0.000 1.051 1100 S CA -0.231 57.767 58.200 -0.336 0.000 1.124 1100 S CB -0.293 62.311 63.200 -0.993 0.000 1.104 1100 S HN 0.183 nan 8.310 nan 0.000 0.623 1101 L N 1.561 122.586 121.223 -0.330 0.000 3.632 1101 L HA -0.192 4.148 4.340 -0.000 0.000 0.510 1101 L C 1.066 177.813 176.870 -0.204 0.000 1.299 1101 L CA 0.371 54.986 54.840 -0.375 0.000 0.829 1101 L CB -1.949 39.741 42.059 -0.615 0.000 1.559 1101 L HN 0.846 nan 8.230 nan 0.000 0.857 1102 G N -0.903 107.818 108.800 -0.132 0.000 2.160 1102 G HA2 -0.081 3.878 3.960 -0.000 0.000 0.244 1102 G HA3 -0.081 3.878 3.960 -0.000 0.000 0.244 1102 G C 0.465 175.386 174.900 0.035 0.000 1.022 1102 G CA 0.383 45.467 45.100 -0.028 0.000 0.741 1102 G HN 1.367 nan 8.290 nan 0.000 0.508 1103 A N -0.405 122.425 122.820 0.017 0.000 2.313 1103 A HA 0.794 5.114 4.320 -0.000 0.000 0.261 1103 A C 0.896 178.692 177.584 0.354 0.000 1.090 1103 A CA 0.824 52.940 52.037 0.131 0.000 0.807 1103 A CB 0.889 19.923 19.000 0.056 0.000 1.055 1103 A HN 1.464 nan 8.150 nan 0.000 0.492 1104 S N 1.657 117.546 115.700 0.315 0.000 2.513 1104 S HA 0.510 4.980 4.470 -0.000 0.000 0.276 1104 S C -2.264 172.411 174.600 0.125 0.000 1.254 1104 S CA -1.510 56.836 58.200 0.243 0.000 1.053 1104 S CB 0.331 63.608 63.200 0.129 0.000 0.958 1104 S HN 0.570 nan 8.310 nan 0.000 0.491 1105 P HA 0.072 nan 4.420 nan 0.000 0.269 1105 P C -0.913 175.994 177.300 -0.656 0.000 1.215 1105 P CA 0.129 62.714 63.100 -0.859 0.000 0.780 1105 P CB -0.088 31.016 31.700 -0.994 0.000 0.898 1106 Y N -1.714 118.215 120.300 -0.619 0.000 3.027 1106 Y HA -0.154 4.396 4.550 -0.000 0.000 0.195 1106 Y C -1.493 174.257 175.900 -0.250 0.000 1.381 1106 Y CA -0.241 57.623 58.100 -0.394 0.000 1.015 1106 Y CB -2.879 35.331 38.460 -0.417 0.000 1.329 1106 Y HN 0.409 nan 8.280 nan 0.000 0.462 1107 P HA 0.277 nan 4.420 nan 0.000 0.268 1107 P C 1.196 178.498 177.300 0.004 0.000 1.205 1107 P CA 1.308 64.404 63.100 -0.007 0.000 0.771 1107 P CB 1.437 33.169 31.700 0.054 0.000 0.858 1108 G N 1.196 109.994 108.800 -0.002 0.000 2.184 1108 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.264 1108 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.264 1108 G C -0.060 174.831 174.900 -0.015 0.000 0.975 1108 G CA 0.084 45.182 45.100 -0.003 0.000 0.642 1108 G HN 0.563 nan 8.290 nan 0.000 0.536 1109 V N 0.721 120.614 119.914 -0.034 0.000 2.398 1109 V HA 0.757 4.877 4.120 -0.000 0.000 0.286 1109 V C 0.740 176.766 176.094 -0.113 0.000 1.026 1109 V CA -0.202 62.063 62.300 -0.058 0.000 0.868 1109 V CB 1.362 33.149 31.823 -0.059 0.000 0.982 1109 V HN 0.752 nan 8.190 nan 0.000 0.443 1110 K N 5.234 125.584 120.400 -0.083 0.000 2.349 1110 K HA 0.440 4.760 4.320 -0.000 0.000 0.288 1110 K C -0.334 176.179 176.600 -0.146 0.000 1.058 1110 K CA -0.305 55.927 56.287 -0.091 0.000 0.953 1110 K CB 0.188 32.659 32.500 -0.048 0.000 0.997 1110 K HN 0.558 nan 8.250 nan 0.000 0.477 1111 I N 3.684 124.121 120.570 -0.222 0.000 2.379 1111 I HA 0.377 4.547 4.170 -0.000 0.000 0.290 1111 I C -0.103 175.939 176.117 -0.126 0.000 1.063 1111 I CA 0.648 61.742 61.300 -0.343 0.000 1.351 1111 I CB 0.196 37.919 38.000 -0.463 0.000 1.410 1111 I HN 0.932 nan 8.210 nan 0.000 0.505 1112 D N 3.586 123.992 120.400 0.009 0.000 3.227 1112 D HA 0.083 4.723 4.640 -0.000 0.000 0.351 1112 D C 1.082 177.432 176.300 0.083 0.000 1.479 1112 D CA 0.504 54.537 54.000 0.054 0.000 0.799 1112 D CB 0.091 40.895 40.800 0.006 0.000 1.400 1112 D HN 0.342 nan 8.370 nan 0.000 0.491 1113 E N -0.005 120.212 120.200 0.029 0.000 2.340 1113 E HA -0.400 3.950 4.350 -0.000 0.000 0.246 1113 E C 1.850 178.445 176.600 -0.007 0.000 1.077 1113 E CA 4.786 61.187 56.400 0.001 0.000 1.060 1113 E CB -2.026 27.669 29.700 -0.008 0.000 0.935 1113 E HN 0.704 nan 8.360 nan 0.000 0.495 1114 E N -0.467 119.736 120.200 0.004 0.000 2.097 1114 E HA -0.055 4.295 4.350 -0.000 0.000 0.196 1114 E C 1.998 178.594 176.600 -0.008 0.000 1.000 1114 E CA 1.894 58.290 56.400 -0.006 0.000 0.804 1114 E CB -0.906 28.796 29.700 0.004 0.000 0.740 1114 E HN 0.880 nan 8.360 nan 0.000 0.454 1115 F N 0.891 120.760 119.950 -0.135 0.000 2.051 1115 F HA -0.181 4.346 4.527 -0.000 0.000 0.296 1115 F C 2.588 178.264 175.800 -0.207 0.000 1.122 1115 F CA 1.777 59.656 58.000 -0.202 0.000 1.201 1115 F CB -0.838 38.013 39.000 -0.247 0.000 0.978 1115 F HN 0.323 nan 8.300 nan 0.000 0.472 1116 C N 0.952 120.051 119.300 -0.336 0.000 2.398 1116 C HA -0.213 4.247 4.460 -0.000 0.000 0.276 1116 C C 3.148 177.925 174.990 -0.355 0.000 1.222 1116 C CA 2.146 60.904 59.018 -0.432 0.000 1.746 1116 C CB -2.150 25.486 27.740 -0.173 0.000 2.039 1116 C HN 0.660 nan 8.230 nan 0.000 0.470 1117 R N 0.752 121.120 120.500 -0.219 0.000 2.091 1117 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 1117 R C 2.096 178.283 176.300 -0.189 0.000 1.136 1117 R CA 1.928 57.928 56.100 -0.167 0.000 0.959 1117 R CB -1.132 29.104 30.300 -0.106 0.000 0.856 1117 R HN 0.708 nan 8.270 nan 0.000 0.437 1118 R N -0.028 120.341 120.500 -0.218 0.000 2.159 1118 R HA 0.077 4.416 4.340 -0.000 0.000 0.237 1118 R C 2.427 178.581 176.300 -0.243 0.000 1.131 1118 R CA 1.408 57.389 56.100 -0.198 0.000 0.982 1118 R CB -0.432 29.764 30.300 -0.174 0.000 0.868 1118 R HN 0.404 nan 8.270 nan 0.000 0.453 1119 L N 0.501 121.492 121.223 -0.388 0.000 2.044 1119 L HA -0.176 4.164 4.340 -0.000 0.000 0.205 1119 L C 2.987 179.743 176.870 -0.189 0.000 1.075 1119 L CA 1.789 56.424 54.840 -0.341 0.000 0.747 1119 L CB -0.609 41.133 42.059 -0.528 0.000 0.903 1119 L HN 0.245 nan 8.230 nan 0.000 0.435 1120 K N 0.303 120.584 120.400 -0.199 0.000 2.209 1120 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 1120 K C 2.005 178.555 176.600 -0.084 0.000 1.048 1120 K CA 1.630 57.839 56.287 -0.130 0.000 0.940 1120 K CB -1.390 31.032 32.500 -0.130 0.000 0.729 1120 K HN 0.557 nan 8.250 nan 0.000 0.451 1121 E N -0.825 119.320 120.200 -0.093 0.000 2.107 1121 E HA 0.262 4.612 4.350 -0.000 0.000 0.191 1121 E C 1.837 178.412 176.600 -0.042 0.000 0.982 1121 E CA 1.551 57.913 56.400 -0.062 0.000 0.809 1121 E CB -0.436 29.224 29.700 -0.067 0.000 0.756 1121 E HN 1.423 nan 8.360 nan 0.000 0.459 1122 G N -1.165 107.609 108.800 -0.044 0.000 2.321 1122 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.174 1122 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.174 1122 G C 0.545 175.438 174.900 -0.013 0.000 1.008 1122 G CA 0.141 45.232 45.100 -0.015 0.000 0.739 1122 G HN 0.576 nan 8.290 nan 0.000 0.502 1123 T N 1.083 115.611 114.554 -0.043 0.000 2.870 1123 T HA 0.608 4.958 4.350 -0.000 0.000 0.300 1123 T C 0.301 174.984 174.700 -0.028 0.000 0.989 1123 T CA 0.356 62.435 62.100 -0.035 0.000 1.139 1123 T CB 1.801 70.628 68.868 -0.068 0.000 0.920 1123 T HN 0.409 nan 8.240 nan 0.000 0.537 1124 R N 1.688 122.192 120.500 0.006 0.000 2.795 1124 R HA 0.514 4.854 4.340 -0.000 0.000 0.275 1124 R C -0.119 176.183 176.300 0.004 0.000 0.981 1124 R CA -0.737 55.341 56.100 -0.036 0.000 0.917 1124 R CB 1.396 31.730 30.300 0.057 0.000 1.202 1124 R HN 0.607 nan 8.270 nan 0.000 0.469 1125 M N 1.431 120.932 119.600 -0.165 0.000 2.250 1125 M HA 0.181 4.661 4.480 -0.000 0.000 0.325 1125 M C 0.293 176.717 176.300 0.208 0.000 1.084 1125 M CA 0.425 55.648 55.300 -0.128 0.000 1.161 1125 M CB 0.554 32.771 32.600 -0.638 0.000 1.481 1125 M HN 0.285 nan 8.290 nan 0.000 0.449 1126 R N 1.471 122.084 120.500 0.187 0.000 2.308 1126 R HA 0.433 4.772 4.340 -0.000 0.000 0.305 1126 R C -0.674 175.736 176.300 0.182 0.000 1.053 1126 R CA -0.109 56.098 56.100 0.179 0.000 0.957 1126 R CB 0.807 31.162 30.300 0.091 0.000 1.022 1126 R HN 0.783 nan 8.270 nan 0.000 0.461 1127 A N 7.172 129.798 122.820 -0.322 0.000 2.608 1127 A HA 0.034 4.354 4.320 -0.000 0.000 0.246 1127 A C -1.827 175.696 177.584 -0.102 0.000 0.998 1127 A CA -0.426 51.275 52.037 -0.560 0.000 0.796 1127 A CB -0.737 17.536 19.000 -1.212 0.000 0.895 1127 A HN 0.666 nan 8.150 nan 0.000 0.508 1128 P HA 0.103 nan 4.420 nan 0.000 0.273 1128 P C -0.058 177.124 177.300 -0.198 0.000 1.250 1128 P CA -0.351 62.623 63.100 -0.210 0.000 0.793 1128 P CB 0.598 31.930 31.700 -0.613 0.000 1.011 1129 D N -0.283 119.960 120.400 -0.261 0.000 2.218 1129 D HA -0.146 4.494 4.640 -0.000 0.000 0.204 1129 D C 0.957 176.928 176.300 -0.549 0.000 0.976 1129 D CA 1.892 55.629 54.000 -0.439 0.000 0.853 1129 D CB -0.199 40.214 40.800 -0.645 0.000 0.939 1129 D HN 0.504 nan 8.370 nan 0.000 0.481 1130 Y N -0.296 119.935 120.300 -0.114 0.000 2.531 1130 Y HA 0.174 4.724 4.550 -0.000 0.000 0.249 1130 Y C 1.286 177.246 175.900 0.101 0.000 1.168 1130 Y CA -0.397 57.688 58.100 -0.026 0.000 1.226 1130 Y CB 0.176 38.533 38.460 -0.172 0.000 1.177 1130 Y HN -0.262 nan 8.280 nan 0.000 0.527 1131 T N 0.986 115.605 114.554 0.108 0.000 2.667 1131 T HA 0.293 4.643 4.350 -0.000 0.000 0.305 1131 T C 0.465 175.095 174.700 -0.116 0.000 1.022 1131 T CA 0.218 62.258 62.100 -0.101 0.000 0.995 1131 T CB 0.500 69.276 68.868 -0.153 0.000 1.026 1131 T HN 0.342 nan 8.240 nan 0.000 0.527 1132 T N 0.476 114.895 114.554 -0.225 0.000 2.893 1132 T HA 0.507 4.857 4.350 -0.000 0.000 0.291 1132 T C -2.157 172.496 174.700 -0.079 0.000 1.028 1132 T CA -1.750 60.281 62.100 -0.116 0.000 0.995 1132 T CB 1.511 70.311 68.868 -0.113 0.000 1.051 1132 T HN 0.278 nan 8.240 nan 0.000 0.470 1133 P HA -0.237 nan 4.420 nan 0.000 0.219 1133 P C 1.129 178.452 177.300 0.037 0.000 1.161 1133 P CA 1.628 64.744 63.100 0.026 0.000 0.909 1133 P CB 0.080 31.789 31.700 0.015 0.000 0.793 1134 E N -1.658 118.542 120.200 -0.000 0.000 2.077 1134 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 1134 E C 1.970 178.573 176.600 0.006 0.000 0.989 1134 E CA 1.221 57.631 56.400 0.017 0.000 0.800 1134 E CB -0.965 28.738 29.700 0.007 0.000 0.746 1134 E HN 0.146 nan 8.360 nan 0.000 0.452 1135 M N -0.411 119.136 119.600 -0.089 0.000 2.159 1135 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 1135 M C 1.937 178.168 176.300 -0.115 0.000 1.063 1135 M CA 1.357 56.550 55.300 -0.178 0.000 1.110 1135 M CB -0.353 31.912 32.600 -0.557 0.000 1.374 1135 M HN 0.222 nan 8.290 nan 0.000 0.411 1136 Y N 0.135 120.326 120.300 -0.181 0.000 2.200 1136 Y HA -0.239 4.311 4.550 -0.000 0.000 0.290 1136 Y C 2.390 178.225 175.900 -0.109 0.000 1.137 1136 Y CA 2.195 60.223 58.100 -0.119 0.000 1.163 1136 Y CB -0.774 37.653 38.460 -0.055 0.000 0.988 1136 Y HN 0.379 nan 8.280 nan 0.000 0.518 1137 Q N -0.065 119.642 119.800 -0.154 0.000 2.170 1137 Q HA -0.125 4.215 4.340 -0.000 0.000 0.203 1137 Q C 1.965 177.818 176.000 -0.244 0.000 0.976 1137 Q CA 2.407 58.077 55.803 -0.223 0.000 0.858 1137 Q CB -0.712 27.980 28.738 -0.076 0.000 0.907 1137 Q HN 0.473 nan 8.270 nan 0.000 0.433 1138 T N 0.331 114.780 114.554 -0.175 0.000 2.708 1138 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 1138 T C 1.729 176.235 174.700 -0.324 0.000 1.037 1138 T CA 1.702 63.703 62.100 -0.166 0.000 1.146 1138 T CB -0.206 68.661 68.868 -0.003 0.000 0.865 1138 T HN 0.319 nan 8.240 nan 0.000 0.435 1139 M N 0.470 119.785 119.600 -0.476 0.000 2.108 1139 M HA -0.030 4.449 4.480 -0.000 0.000 0.261 1139 M C 2.181 177.822 176.300 -1.097 0.000 1.066 1139 M CA 1.532 56.258 55.300 -0.957 0.000 1.107 1139 M CB -0.602 31.388 32.600 -1.017 0.000 1.356 1139 M HN 0.181 nan 8.290 nan 0.000 0.406 1140 L N -0.175 120.646 121.223 -0.670 0.000 2.083 1140 L HA -0.241 4.098 4.340 -0.000 0.000 0.209 1140 L C 2.006 178.749 176.870 -0.212 0.000 1.083 1140 L CA 0.961 55.591 54.840 -0.350 0.000 0.752 1140 L CB -0.818 41.041 42.059 -0.333 0.000 0.899 1140 L HN 0.301 nan 8.230 nan 0.000 0.433 1141 D N -0.375 119.892 120.400 -0.222 0.000 2.097 1141 D HA -0.178 4.462 4.640 -0.000 0.000 0.195 1141 D C 2.247 178.509 176.300 -0.064 0.000 0.989 1141 D CA 1.406 55.347 54.000 -0.098 0.000 0.827 1141 D CB -0.503 40.222 40.800 -0.125 0.000 0.966 1141 D HN 0.372 nan 8.370 nan 0.000 0.456 1142 C N 0.306 119.478 119.300 -0.213 0.000 2.419 1142 C HA -0.128 4.332 4.460 -0.000 0.000 0.281 1142 C C 1.478 176.428 174.990 -0.067 0.000 1.336 1142 C CA -0.073 58.839 59.018 -0.177 0.000 1.770 1142 C CB -0.944 26.595 27.740 -0.336 0.000 1.929 1142 C HN 0.419 nan 8.230 nan 0.000 0.509 1143 W N 0.685 121.853 121.300 -0.220 0.000 3.213 1143 W HA 0.282 4.942 4.660 -0.000 0.000 0.430 1143 W C 0.757 177.319 176.519 0.072 0.000 0.975 1143 W CA -0.660 56.435 57.345 -0.416 0.000 2.015 1143 W CB -1.544 27.498 29.460 -0.696 0.000 1.047 1143 W HN 0.408 nan 8.180 nan 0.000 0.797 1144 H N 0.022 119.254 119.070 0.270 0.000 2.767 1144 H HA 0.191 4.747 4.556 -0.000 0.000 0.316 1144 H C 1.552 177.058 175.328 0.297 0.000 1.059 1144 H CA 0.779 56.957 56.048 0.217 0.000 1.461 1144 H CB 1.140 30.970 29.762 0.114 0.000 1.475 1144 H HN 0.257 nan 8.280 nan 0.000 0.531 1145 G N 4.416 113.526 108.800 0.516 0.000 2.564 1145 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 1145 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 1145 G C 0.613 175.686 174.900 0.289 0.000 1.120 1145 G CA 0.278 45.592 45.100 0.356 0.000 0.752 1145 G HN 0.519 nan 8.290 nan 0.000 0.558 1146 E N 0.193 120.609 120.200 0.360 0.000 2.070 1146 E HA 0.252 4.602 4.350 -0.000 0.000 0.261 1146 E C -1.534 175.034 176.600 -0.053 0.000 0.926 1146 E CA -2.398 54.011 56.400 0.013 0.000 0.760 1146 E CB 1.691 31.256 29.700 -0.225 0.000 1.133 1146 E HN -0.012 nan 8.360 nan 0.000 0.420 1147 P HA -0.248 nan 4.420 nan 0.000 0.219 1147 P C 1.046 178.332 177.300 -0.024 0.000 1.161 1147 P CA 1.925 65.038 63.100 0.022 0.000 0.909 1147 P CB 0.148 31.856 31.700 0.014 0.000 0.793 1148 S N -2.294 113.372 115.700 -0.057 0.000 2.720 1148 S HA -0.003 4.466 4.470 -0.000 0.000 0.222 1148 S C 1.439 175.970 174.600 -0.116 0.000 0.958 1148 S CA 0.350 58.509 58.200 -0.068 0.000 0.943 1148 S CB -0.617 62.552 63.200 -0.052 0.000 0.779 1148 S HN 0.102 nan 8.310 nan 0.000 0.526 1149 Q N 0.677 120.359 119.800 -0.196 0.000 2.317 1149 Q HA 0.287 4.627 4.340 -0.000 0.000 0.220 1149 Q C 0.130 176.032 176.000 -0.164 0.000 0.873 1149 Q CA 0.179 55.802 55.803 -0.300 0.000 0.936 1149 Q CB 0.442 28.670 28.738 -0.850 0.000 1.105 1149 Q HN 0.623 nan 8.270 nan 0.000 0.520 1150 R N 2.028 122.481 120.500 -0.079 0.000 2.490 1150 R HA 0.257 4.596 4.340 -0.000 0.000 0.278 1150 R C -2.098 174.162 176.300 -0.067 0.000 1.069 1150 R CA -1.488 54.602 56.100 -0.017 0.000 1.080 1150 R CB 0.012 30.339 30.300 0.044 0.000 1.030 1150 R HN -0.016 nan 8.270 nan 0.000 0.491 1151 P HA -0.025 nan 4.420 nan 0.000 0.272 1151 P C -0.425 176.777 177.300 -0.164 0.000 1.240 1151 P CA -0.222 62.816 63.100 -0.102 0.000 0.791 1151 P CB 0.597 32.237 31.700 -0.100 0.000 0.978 1152 T N -2.303 112.169 114.554 -0.137 0.000 2.918 1152 T HA 0.285 4.635 4.350 -0.000 0.000 0.283 1152 T C 1.048 175.644 174.700 -0.173 0.000 1.001 1152 T CA -0.432 61.563 62.100 -0.175 0.000 1.041 1152 T CB 0.087 68.919 68.868 -0.060 0.000 1.028 1152 T HN 0.082 nan 8.240 nan 0.000 0.511 1153 F N 0.745 120.660 119.950 -0.059 0.000 2.307 1153 F HA -0.022 4.505 4.527 0.000 0.000 0.301 1153 F C 2.832 178.594 175.800 -0.063 0.000 1.076 1153 F CA 0.845 58.772 58.000 -0.121 0.000 1.383 1153 F CB -0.952 37.959 39.000 -0.147 0.000 1.055 1153 F HN 0.568 nan 8.300 nan 0.000 0.526 1154 S N -0.453 115.323 115.700 0.128 0.000 2.357 1154 S HA -0.145 4.325 4.470 -0.000 0.000 0.221 1154 S C 1.948 176.607 174.600 0.098 0.000 1.031 1154 S CA 1.126 59.389 58.200 0.103 0.000 0.982 1154 S CB -0.207 63.039 63.200 0.077 0.000 0.853 1154 S HN 0.434 nan 8.310 nan 0.000 0.458 1155 E N 1.132 121.370 120.200 0.063 0.000 2.058 1155 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 1155 E C 2.001 178.673 176.600 0.120 0.000 0.997 1155 E CA 1.036 57.475 56.400 0.065 0.000 0.801 1155 E CB -0.364 29.341 29.700 0.009 0.000 0.746 1155 E HN 0.385 nan 8.360 nan 0.000 0.450 1156 L N 0.667 121.956 121.223 0.108 0.000 2.187 1156 L HA -0.183 4.157 4.340 -0.000 0.000 0.213 1156 L C 2.398 179.432 176.870 0.274 0.000 1.100 1156 L CA 0.561 55.516 54.840 0.191 0.000 0.765 1156 L CB -0.312 41.820 42.059 0.122 0.000 0.904 1156 L HN 0.049 nan 8.230 nan 0.000 0.437 1157 V N -0.011 120.044 119.914 0.234 0.000 2.379 1157 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 1157 V C 2.980 179.294 176.094 0.367 0.000 1.044 1157 V CA 2.158 64.652 62.300 0.324 0.000 1.036 1157 V CB -0.788 31.159 31.823 0.206 0.000 0.664 1157 V HN 0.614 nan 8.190 nan 0.000 0.453 1158 E N -0.436 119.907 120.200 0.237 0.000 2.046 1158 E HA -0.283 4.067 4.350 -0.000 0.000 0.190 1158 E C 1.961 178.648 176.600 0.145 0.000 0.982 1158 E CA 1.443 57.946 56.400 0.172 0.000 0.800 1158 E CB -0.892 28.886 29.700 0.130 0.000 0.756 1158 E HN 0.846 nan 8.360 nan 0.000 0.449 1159 H N 0.217 119.339 119.070 0.086 0.000 2.251 1159 H HA -0.059 4.497 4.556 -0.000 0.000 0.294 1159 H C 2.070 177.427 175.328 0.049 0.000 1.078 1159 H CA 2.164 58.248 56.048 0.059 0.000 1.246 1159 H CB -0.432 29.371 29.762 0.067 0.000 1.358 1159 H HN 0.289 nan 8.280 nan 0.000 0.488 1160 L N 0.026 121.299 121.223 0.084 0.000 2.131 1160 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 1160 L C 2.826 179.547 176.870 -0.248 0.000 1.092 1160 L CA 1.624 56.464 54.840 -0.001 0.000 0.759 1160 L CB -0.917 41.327 42.059 0.309 0.000 0.903 1160 L HN 0.543 nan 8.230 nan 0.000 0.435 1161 G N -0.762 107.883 108.800 -0.257 0.000 2.450 1161 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 1161 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 1161 G C 1.501 176.196 174.900 -0.342 0.000 1.130 1161 G CA 0.837 45.607 45.100 -0.550 0.000 0.760 1161 G HN 0.401 nan 8.290 nan 0.000 0.557 1162 N N 0.476 119.046 118.700 -0.217 0.000 2.251 1162 N HA 0.041 4.781 4.740 -0.000 0.000 0.181 1162 N C 2.251 177.645 175.510 -0.193 0.000 1.019 1162 N CA 0.369 53.315 53.050 -0.172 0.000 0.862 1162 N CB -0.352 38.062 38.487 -0.122 0.000 0.992 1162 N HN 0.267 nan 8.380 nan 0.000 0.429 1163 L N 0.468 121.543 121.223 -0.246 0.000 2.265 1163 L HA -0.101 4.239 4.340 -0.000 0.000 0.215 1163 L C 2.127 178.903 176.870 -0.156 0.000 1.117 1163 L CA 0.536 55.255 54.840 -0.201 0.000 0.782 1163 L CB -0.302 41.622 42.059 -0.225 0.000 0.914 1163 L HN 0.116 nan 8.230 nan 0.000 0.441 1164 L N -0.218 120.882 121.223 -0.205 0.000 2.068 1164 L HA -0.171 4.169 4.340 -0.000 0.000 0.204 1164 L C 2.576 179.350 176.870 -0.159 0.000 1.076 1164 L CA 1.629 56.352 54.840 -0.195 0.000 0.753 1164 L CB -0.539 41.325 42.059 -0.326 0.000 0.910 1164 L HN 0.216 nan 8.230 nan 0.000 0.439 1165 Q N -0.858 118.841 119.800 -0.167 0.000 2.079 1165 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 1165 Q C 2.097 178.042 176.000 -0.092 0.000 0.974 1165 Q CA 1.544 57.276 55.803 -0.118 0.000 0.840 1165 Q CB -0.135 28.538 28.738 -0.108 0.000 0.898 1165 Q HN 0.604 nan 8.270 nan 0.000 0.430 1166 A N 1.126 123.889 122.820 -0.096 0.000 1.902 1166 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 1166 A C 1.788 179.332 177.584 -0.066 0.000 1.181 1166 A CA 1.812 53.804 52.037 -0.075 0.000 0.623 1166 A CB -1.036 17.916 19.000 -0.080 0.000 0.818 1166 A HN 0.626 nan 8.150 nan 0.000 0.443 1167 N N -0.182 118.474 118.700 -0.074 0.000 2.205 1167 N HA 0.005 4.745 4.740 -0.000 0.000 0.186 1167 N C 0.770 176.245 175.510 -0.058 0.000 1.015 1167 N CA 1.166 54.182 53.050 -0.057 0.000 0.862 1167 N CB -0.294 38.161 38.487 -0.053 0.000 0.986 1167 N HN 0.532 nan 8.380 nan 0.000 0.429 1168 A N 0.000 122.779 122.820 -0.068 0.000 2.254 1168 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1168 A CA 0.000 51.999 52.037 -0.063 0.000 0.836 1168 A CB 0.000 18.957 19.000 -0.072 0.000 0.831 1168 A HN 0.000 nan 8.150 nan 0.000 0.486