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 2xgo_1_A DATA FIRST_RESID 21 DATA SEQUENCE QDFVAWLMLA DAELGMGDTT AGEMAVQRGL ALHPGHPEAV ARLGRVRWTQ DATA SEQUENCE QRHAEAAVLL QQASDAAPEH PGIALWLGHA LEDAGQAEAA AAAYTRAHQL DATA SEQUENCE LPEEPYITAQ LLNWRRRLCD WRALDVLSAQ VRAAVAQGVG AVEPFAFLSE DATA SEQUENCE DASAAEQLAC ARTRAQAIAA SVRPLAPTRV RSKGPLRVGF VSNGFGAHPT DATA SEQUENCE GLLTVALFEA LQRRQPDLQM HLFATSGDDG STLRTRLAQA STLHDVTALG DATA SEQUENCE HLATAKHIRH HGIDLLFDLR GWGGGGRPEV FALRPAPVQV NWLAYPGTSG DATA SEQUENCE APWMDYVLGD AFALPPALEP FYSEHVLRLQ GAFQPSDTSR VVAEPPSRTQ DATA SEQUENCE CGLPEQGVVL CCFNNSYKLN PQSMARMLAV LREVPDSVLW LLSGPGEADA DATA SEQUENCE RLRAFAHAQG VDAQRLVFMP KLPHPQYLAR YRHADLFLDT HPYNAHTTAS DATA SEQUENCE DALWTGCPVL TTPGETFAAR VAGSLNHHLG LDEMNVADDA AFVAKAVALA DATA SEQUENCE SDPAALTALH ARVDVLRRAS GVFHMDGFAD DFGALLQALA RRHGWLGI 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 21 Q HA 0.000 nan 4.340 nan 0.000 0.214 21 Q C 0.000 175.961 176.000 -0.066 0.000 1.003 21 Q CA 0.000 55.674 55.803 -0.215 0.000 1.022 21 Q CB 0.000 28.698 28.738 -0.067 0.000 1.108 22 D N -1.027 119.304 120.400 -0.115 0.000 2.205 22 D HA 0.343 4.691 4.640 -0.485 0.000 0.168 22 D C -0.406 175.939 176.300 0.076 0.000 1.167 22 D CA -0.587 53.470 54.000 0.096 0.000 0.834 22 D CB -0.299 40.611 40.800 0.183 0.000 2.599 22 D HN 0.010 nan 8.370 nan 0.000 0.497 23 F N 1.356 121.268 119.950 -0.062 0.000 1.992 23 F HA 0.168 4.404 4.527 -0.484 0.000 0.291 23 F C 0.841 176.672 175.800 0.051 0.000 0.983 23 F CA 0.416 58.450 58.000 0.056 0.000 1.181 23 F CB -0.168 38.825 39.000 -0.011 0.000 1.419 23 F HN 0.286 nan 8.300 nan 0.000 0.616 24 V N 2.438 121.599 119.914 -1.255 0.000 3.026 24 V HA 0.036 3.865 4.120 -0.485 0.000 0.265 24 V C 2.189 178.015 176.094 -0.447 0.000 1.121 24 V CA 2.074 63.726 62.300 -1.080 0.000 1.142 24 V CB -1.005 30.373 31.823 -0.741 0.000 0.730 24 V HN 0.607 nan 8.190 nan 0.000 0.503 25 A N -0.387 122.229 122.820 -0.341 0.000 1.883 25 A HA -0.219 3.810 4.320 -0.485 0.000 0.217 25 A C 1.863 179.332 177.584 -0.193 0.000 1.186 25 A CA 1.992 53.867 52.037 -0.271 0.000 0.624 25 A CB -1.053 17.738 19.000 -0.348 0.000 0.822 25 A HN 0.761 nan 8.150 nan 0.000 0.444 26 W N -0.329 120.892 121.300 -0.131 0.000 2.292 26 W HA -0.234 4.129 4.660 -0.495 0.000 0.330 26 W C 2.013 178.493 176.519 -0.065 0.000 1.264 26 W CA 1.061 58.370 57.345 -0.061 0.000 1.235 26 W CB -0.575 28.890 29.460 0.008 0.000 1.164 26 W HN 0.265 nan 8.180 nan 0.000 0.461 27 L N -0.651 120.675 121.223 0.172 0.000 2.261 27 L HA -0.226 3.822 4.340 -0.485 0.000 0.216 27 L C 2.278 179.185 176.870 0.062 0.000 1.114 27 L CA 1.504 56.402 54.840 0.096 0.000 0.777 27 L CB -0.982 41.087 42.059 0.016 0.000 0.910 27 L HN 0.097 nan 8.230 nan 0.000 0.440 28 M N -1.084 118.519 119.600 0.004 0.000 2.123 28 M HA -0.144 4.045 4.480 -0.485 0.000 0.263 28 M C 2.142 178.456 176.300 0.023 0.000 1.069 28 M CA 1.631 56.926 55.300 -0.009 0.000 1.133 28 M CB -0.284 32.275 32.600 -0.069 0.000 1.356 28 M HN 0.162 nan 8.290 nan 0.000 0.415 29 L N -0.263 120.979 121.223 0.032 0.000 2.131 29 L HA -0.147 3.902 4.340 -0.485 0.000 0.210 29 L C 2.283 179.201 176.870 0.080 0.000 1.092 29 L CA 1.410 56.278 54.840 0.047 0.000 0.759 29 L CB -0.466 41.626 42.059 0.055 0.000 0.903 29 L HN 0.424 nan 8.230 nan 0.000 0.435 30 A N -0.766 122.120 122.820 0.111 0.000 1.930 30 A HA -0.237 3.792 4.320 -0.485 0.000 0.217 30 A C 1.808 179.433 177.584 0.069 0.000 1.175 30 A CA 1.920 54.014 52.037 0.094 0.000 0.627 30 A CB -0.555 18.509 19.000 0.107 0.000 0.815 30 A HN 0.422 nan 8.150 nan 0.000 0.443 31 D N -0.693 119.753 120.400 0.076 0.000 2.310 31 D HA 0.209 4.558 4.640 -0.485 0.000 0.212 31 D C 0.675 177.011 176.300 0.060 0.000 0.965 31 D CA 1.411 55.462 54.000 0.085 0.000 0.879 31 D CB 0.059 40.924 40.800 0.109 0.000 0.921 31 D HN 0.404 nan 8.370 nan 0.000 0.510 32 A N -0.210 122.637 122.820 0.044 0.000 3.464 32 A HA 0.300 4.329 4.320 -0.485 0.000 0.243 32 A C 0.577 178.177 177.584 0.026 0.000 1.100 32 A CA -0.480 51.576 52.037 0.032 0.000 0.957 32 A CB 0.125 19.141 19.000 0.027 0.000 1.340 32 A HN -0.047 nan 8.150 nan 0.000 0.645 33 E N -0.078 120.141 120.200 0.030 0.000 2.332 33 E HA 0.236 4.295 4.350 -0.485 0.000 0.202 33 E C 1.574 178.185 176.600 0.018 0.000 0.877 33 E CA 0.131 56.545 56.400 0.024 0.000 0.979 33 E CB 0.221 29.940 29.700 0.032 0.000 0.969 33 E HN 0.658 nan 8.360 nan 0.000 0.495 34 L N 0.261 121.496 121.223 0.020 0.000 1.961 34 L HA -0.046 4.003 4.340 -0.485 0.000 0.210 34 L C 1.738 178.614 176.870 0.010 0.000 1.072 34 L CA 1.613 56.459 54.840 0.010 0.000 0.749 34 L CB -0.268 41.792 42.059 0.002 0.000 0.889 34 L HN 0.218 nan 8.230 nan 0.000 0.432 35 G N -1.279 107.530 108.800 0.016 0.000 3.375 35 G HA2 0.078 3.747 3.960 -0.485 0.000 0.247 35 G HA3 0.078 3.747 3.960 -0.485 0.000 0.247 35 G C 0.659 175.574 174.900 0.026 0.000 1.343 35 G CA -0.114 45.002 45.100 0.026 0.000 1.368 35 G HN 0.349 nan 8.290 nan 0.000 0.549 36 M N -0.786 118.824 119.600 0.017 0.000 2.327 36 M HA 0.282 4.471 4.480 -0.485 0.000 0.365 36 M C 1.544 177.845 176.300 0.002 0.000 0.992 36 M CA 0.718 56.026 55.300 0.013 0.000 0.985 36 M CB 1.235 33.842 32.600 0.013 0.000 1.673 36 M HN 0.403 nan 8.290 nan 0.000 0.586 37 G N 0.628 109.426 108.800 -0.005 0.000 2.490 37 G HA2 -0.246 3.423 3.960 -0.485 0.000 0.214 37 G HA3 -0.246 3.423 3.960 -0.485 0.000 0.214 37 G C 0.056 174.943 174.900 -0.022 0.000 1.151 37 G CA 0.098 45.185 45.100 -0.021 0.000 0.684 37 G HN 0.449 nan 8.290 nan 0.000 0.518 38 D N 2.414 122.806 120.400 -0.013 0.000 2.383 38 D HA 0.471 4.820 4.640 -0.485 0.000 0.245 38 D C 1.041 177.338 176.300 -0.005 0.000 1.263 38 D CA 0.882 54.876 54.000 -0.011 0.000 0.936 38 D CB 0.282 41.079 40.800 -0.005 0.000 1.053 38 D HN 0.501 nan 8.370 nan 0.000 0.507 39 T N 0.400 114.946 114.554 -0.013 0.000 3.383 39 T HA 0.350 4.409 4.350 -0.485 0.000 0.324 39 T C 0.637 175.330 174.700 -0.010 0.000 1.822 39 T CA -0.435 61.659 62.100 -0.010 0.000 1.424 39 T CB 0.521 69.375 68.868 -0.023 0.000 1.093 39 T HN 0.250 nan 8.240 nan 0.000 0.748 40 T N -0.685 113.868 114.554 -0.001 0.000 3.661 40 T HA 0.255 4.314 4.350 -0.485 0.000 0.287 40 T C 1.933 176.640 174.700 0.011 0.000 0.892 40 T CA 0.873 62.973 62.100 -0.000 0.000 0.775 40 T CB -0.903 67.959 68.868 -0.010 0.000 1.216 40 T HN 0.508 nan 8.240 nan 0.000 0.850 41 A N 1.314 124.144 122.820 0.017 0.000 1.884 41 A HA 0.140 4.168 4.320 -0.485 0.000 0.219 41 A C 2.381 179.995 177.584 0.050 0.000 1.197 41 A CA 2.874 54.932 52.037 0.035 0.000 0.637 41 A CB -1.612 17.404 19.000 0.027 0.000 0.827 41 A HN 0.800 nan 8.150 nan 0.000 0.450 42 G N -0.861 107.961 108.800 0.036 0.000 2.511 42 G HA2 -0.305 3.364 3.960 -0.485 0.000 0.216 42 G HA3 -0.305 3.364 3.960 -0.485 0.000 0.216 42 G C 1.446 176.367 174.900 0.035 0.000 1.218 42 G CA 1.322 46.446 45.100 0.041 0.000 0.788 42 G HN 0.686 nan 8.290 nan 0.000 0.560 43 E N -0.472 119.736 120.200 0.014 0.000 2.086 43 E HA -0.210 3.848 4.350 -0.485 0.000 0.200 43 E C 2.541 179.132 176.600 -0.016 0.000 1.012 43 E CA 1.476 57.875 56.400 -0.001 0.000 0.812 43 E CB -0.198 29.497 29.700 -0.009 0.000 0.743 43 E HN 0.247 nan 8.360 nan 0.000 0.453 44 M N -0.017 119.576 119.600 -0.010 0.000 2.331 44 M HA -0.191 3.998 4.480 -0.485 0.000 0.260 44 M C 2.097 178.343 176.300 -0.090 0.000 1.072 44 M CA 1.586 56.866 55.300 -0.033 0.000 1.065 44 M CB -0.905 31.701 32.600 0.010 0.000 1.392 44 M HN 0.344 nan 8.290 nan 0.000 0.427 45 A N -0.792 122.017 122.820 -0.019 0.000 1.871 45 A HA 0.018 4.047 4.320 -0.485 0.000 0.211 45 A C 2.257 179.779 177.584 -0.103 0.000 1.207 45 A CA 0.877 52.918 52.037 0.007 0.000 0.620 45 A CB -0.705 18.458 19.000 0.271 0.000 0.860 45 A HN 0.242 nan 8.150 nan 0.000 0.450 46 V N 0.712 120.616 119.914 -0.017 0.000 2.282 46 V HA -0.316 3.513 4.120 -0.485 0.000 0.249 46 V C 2.552 178.596 176.094 -0.083 0.000 1.057 46 V CA 2.083 64.377 62.300 -0.010 0.000 1.032 46 V CB -1.061 30.774 31.823 0.021 0.000 0.645 46 V HN 0.535 nan 8.190 nan 0.000 0.447 47 Q N -0.116 119.619 119.800 -0.109 0.000 2.297 47 Q HA -0.169 3.880 4.340 -0.485 0.000 0.208 47 Q C 2.292 178.159 176.000 -0.222 0.000 0.981 47 Q CA 1.300 57.027 55.803 -0.126 0.000 0.876 47 Q CB -0.284 28.391 28.738 -0.106 0.000 0.921 47 Q HN 0.636 nan 8.270 nan 0.000 0.446 48 R N -0.988 119.269 120.500 -0.406 0.000 2.254 48 R HA 0.081 4.130 4.340 -0.485 0.000 0.195 48 R C 2.142 178.079 176.300 -0.605 0.000 0.957 48 R CA 0.615 56.307 56.100 -0.681 0.000 1.024 48 R CB 0.028 29.500 30.300 -1.379 0.000 0.952 48 R HN 0.224 nan 8.270 nan 0.000 0.484 49 G N 1.910 110.518 108.800 -0.320 0.000 2.453 49 G HA2 -0.222 3.447 3.960 -0.485 0.000 0.215 49 G HA3 -0.222 3.447 3.960 -0.485 0.000 0.215 49 G C 1.481 176.389 174.900 0.013 0.000 1.201 49 G CA 0.320 45.419 45.100 -0.001 0.000 0.784 49 G HN 0.096 nan 8.290 nan 0.000 0.545 50 L N 0.974 122.192 121.223 -0.009 0.000 2.103 50 L HA -0.245 3.804 4.340 -0.485 0.000 0.215 50 L C 3.417 180.272 176.870 -0.026 0.000 1.080 50 L CA 1.220 56.061 54.840 0.002 0.000 0.764 50 L CB -0.631 41.420 42.059 -0.013 0.000 0.890 50 L HN 0.330 nan 8.230 nan 0.000 0.435 51 A N 0.128 122.893 122.820 -0.092 0.000 1.892 51 A HA -0.209 3.819 4.320 -0.485 0.000 0.218 51 A C 2.249 179.814 177.584 -0.032 0.000 1.188 51 A CA 1.934 53.919 52.037 -0.086 0.000 0.631 51 A CB -0.625 18.278 19.000 -0.161 0.000 0.822 51 A HN 0.371 nan 8.150 nan 0.000 0.447 52 L N -2.086 119.124 121.223 -0.023 0.000 2.084 52 L HA 0.056 4.105 4.340 -0.485 0.000 0.202 52 L C 0.437 177.381 176.870 0.124 0.000 1.074 52 L CA 0.547 55.390 54.840 0.005 0.000 0.757 52 L CB -0.157 41.873 42.059 -0.049 0.000 0.918 52 L HN 0.357 nan 8.230 nan 0.000 0.444 53 H N 0.033 118.988 119.070 -0.191 0.000 2.595 53 H HA 0.308 4.572 4.556 -0.486 0.000 0.313 53 H C -2.338 172.971 175.328 -0.033 0.000 1.023 53 H CA -3.246 52.713 56.048 -0.148 0.000 1.218 53 H CB 0.655 30.260 29.762 -0.261 0.000 1.403 53 H HN -0.108 nan 8.280 nan 0.000 0.477 54 P HA 0.215 nan 4.420 nan 0.000 0.287 54 P C 0.218 177.551 177.300 0.055 0.000 1.307 54 P CA -0.304 62.818 63.100 0.036 0.000 0.777 54 P CB 0.822 32.523 31.700 0.000 0.000 0.883 55 G N 2.503 111.349 108.800 0.076 0.000 2.402 55 G HA2 -0.230 3.438 3.960 -0.485 0.000 0.241 55 G HA3 -0.230 3.438 3.960 -0.485 0.000 0.241 55 G C -0.657 174.318 174.900 0.125 0.000 0.871 55 G CA -0.061 45.088 45.100 0.081 0.000 1.232 55 G HN 0.934 nan 8.290 nan 0.000 0.369 56 H N 2.775 121.885 119.070 0.066 0.000 2.782 56 H HA 0.550 4.812 4.556 -0.490 0.000 0.347 56 H C -1.435 173.944 175.328 0.084 0.000 1.038 56 H CA -1.908 54.194 56.048 0.089 0.000 1.255 56 H CB 1.986 31.846 29.762 0.163 0.000 1.623 56 H HN 0.060 nan 8.280 nan 0.000 0.525 57 P HA -0.262 nan 4.420 nan 0.000 0.218 57 P C 0.974 178.326 177.300 0.086 0.000 1.154 57 P CA 1.483 64.557 63.100 -0.043 0.000 0.872 57 P CB 0.378 31.996 31.700 -0.137 0.000 0.790 58 E N -1.215 119.179 120.200 0.322 0.000 2.152 58 E HA -0.073 3.986 4.350 -0.485 0.000 0.192 58 E C 1.974 178.719 176.600 0.241 0.000 0.983 58 E CA 1.247 57.808 56.400 0.269 0.000 0.818 58 E CB -0.396 29.527 29.700 0.372 0.000 0.758 58 E HN 0.215 nan 8.360 nan 0.000 0.467 59 A N 1.033 124.036 122.820 0.304 0.000 1.850 59 A HA -0.047 3.982 4.320 -0.485 0.000 0.212 59 A C 2.558 180.237 177.584 0.158 0.000 1.208 59 A CA 0.728 52.892 52.037 0.213 0.000 0.609 59 A CB -0.765 18.366 19.000 0.219 0.000 0.860 59 A HN 0.064 nan 8.150 nan 0.000 0.448 60 V N 0.457 120.460 119.914 0.148 0.000 2.226 60 V HA -0.408 3.421 4.120 -0.485 0.000 0.254 60 V C 3.060 179.214 176.094 0.099 0.000 1.065 60 V CA 2.570 64.930 62.300 0.100 0.000 1.039 60 V CB -1.493 30.374 31.823 0.074 0.000 0.653 60 V HN 0.648 nan 8.190 nan 0.000 0.450 61 A N -0.883 122.000 122.820 0.104 0.000 2.009 61 A HA -0.332 3.697 4.320 -0.485 0.000 0.222 61 A C 2.351 180.052 177.584 0.195 0.000 1.175 61 A CA 2.490 54.611 52.037 0.141 0.000 0.651 61 A CB -0.626 18.442 19.000 0.113 0.000 0.815 61 A HN 0.570 nan 8.150 nan 0.000 0.459 62 R N -1.775 118.834 120.500 0.180 0.000 2.127 62 R HA 0.040 4.089 4.340 -0.485 0.000 0.217 62 R C 2.029 178.372 176.300 0.071 0.000 1.074 62 R CA 0.817 57.008 56.100 0.152 0.000 0.991 62 R CB -0.340 30.064 30.300 0.173 0.000 0.895 62 R HN 0.489 nan 8.270 nan 0.000 0.450 63 L N 0.409 121.675 121.223 0.071 0.000 1.943 63 L HA -0.063 3.985 4.340 -0.485 0.000 0.215 63 L C 2.122 179.019 176.870 0.045 0.000 1.074 63 L CA 2.367 57.236 54.840 0.047 0.000 0.759 63 L CB -1.379 40.707 42.059 0.045 0.000 0.888 63 L HN 0.277 nan 8.230 nan 0.000 0.433 64 G N -0.787 108.047 108.800 0.057 0.000 2.960 64 G HA2 -0.521 3.148 3.960 -0.485 0.000 0.269 64 G HA3 -0.521 3.148 3.960 -0.485 0.000 0.269 64 G C 1.814 176.745 174.900 0.052 0.000 1.073 64 G CA 1.704 46.844 45.100 0.065 0.000 0.743 64 G HN 0.412 nan 8.290 nan 0.000 0.661 65 R N 0.146 120.639 120.500 -0.011 0.000 2.153 65 R HA 0.177 4.226 4.340 -0.485 0.000 0.218 65 R C 2.707 179.011 176.300 0.008 0.000 1.072 65 R CA 1.270 57.290 56.100 -0.133 0.000 0.990 65 R CB -0.523 29.496 30.300 -0.469 0.000 0.889 65 R HN 0.351 nan 8.270 nan 0.000 0.452 66 V N 1.385 121.309 119.914 0.017 0.000 2.216 66 V HA -0.296 3.532 4.120 -0.485 0.000 0.243 66 V C 2.172 178.297 176.094 0.051 0.000 1.044 66 V CA 1.980 64.295 62.300 0.026 0.000 0.995 66 V CB -0.592 31.237 31.823 0.011 0.000 0.633 66 V HN 0.290 nan 8.190 nan 0.000 0.446 67 R N -0.884 119.646 120.500 0.050 0.000 2.301 67 R HA -0.346 3.702 4.340 -0.485 0.000 0.250 67 R C 1.902 178.255 176.300 0.088 0.000 1.102 67 R CA 2.771 58.903 56.100 0.053 0.000 0.933 67 R CB -1.667 28.683 30.300 0.084 0.000 0.955 67 R HN 0.716 nan 8.270 nan 0.000 0.439 68 W N 1.809 123.106 121.300 -0.005 0.000 2.315 68 W HA -0.239 4.052 4.660 -0.616 0.000 0.323 68 W C 2.356 178.896 176.519 0.035 0.000 1.233 68 W CA 2.757 60.150 57.345 0.080 0.000 1.267 68 W CB -0.693 28.762 29.460 -0.008 0.000 1.160 68 W HN 0.179 nan 8.180 nan 0.000 0.474 69 T N 0.128 114.691 114.554 0.015 0.000 2.833 69 T HA -0.246 3.813 4.350 -0.485 0.000 0.269 69 T C 1.420 175.990 174.700 -0.217 0.000 1.054 69 T CA 1.550 63.528 62.100 -0.204 0.000 1.135 69 T CB -0.408 68.439 68.868 -0.036 0.000 0.869 69 T HN 0.319 nan 8.240 nan 0.000 0.466 70 Q N 0.413 120.126 119.800 -0.144 0.000 2.373 70 Q HA 0.060 4.108 4.340 -0.485 0.000 0.206 70 Q C 0.315 176.176 176.000 -0.231 0.000 0.942 70 Q CA -0.091 55.623 55.803 -0.148 0.000 0.953 70 Q CB 0.081 28.767 28.738 -0.086 0.000 1.022 70 Q HN 0.344 nan 8.270 nan 0.000 0.502 71 Q N -1.462 118.108 119.800 -0.383 0.000 2.406 71 Q HA -0.241 3.808 4.340 -0.485 0.000 0.236 71 Q C -0.292 175.334 176.000 -0.623 0.000 0.799 71 Q CA 1.163 56.592 55.803 -0.623 0.000 1.286 71 Q CB -1.331 27.183 28.738 -0.373 0.000 1.615 71 Q HN 0.462 nan 8.270 nan 0.000 0.621 72 R N 0.465 120.745 120.500 -0.368 0.000 3.179 72 R HA 0.151 4.199 4.340 -0.485 0.000 0.317 72 R C 0.986 177.254 176.300 -0.053 0.000 1.331 72 R CA -0.368 55.623 56.100 -0.183 0.000 1.184 72 R CB 0.110 30.357 30.300 -0.088 0.000 1.408 72 R HN 0.245 nan 8.270 nan 0.000 0.598 73 H N 0.878 119.959 119.070 0.020 0.000 2.444 73 H HA -0.238 4.017 4.556 -0.502 0.000 0.294 73 H C 1.963 177.340 175.328 0.081 0.000 1.125 73 H CA 1.878 57.978 56.048 0.086 0.000 1.230 73 H CB -0.084 29.727 29.762 0.081 0.000 1.361 73 H HN 0.437 nan 8.280 nan 0.000 0.508 74 A N 0.946 123.862 122.820 0.159 0.000 1.898 74 A HA -0.150 3.879 4.320 -0.485 0.000 0.216 74 A C 2.373 180.007 177.584 0.084 0.000 1.181 74 A CA 1.448 53.550 52.037 0.108 0.000 0.620 74 A CB -0.273 18.768 19.000 0.070 0.000 0.819 74 A HN 0.468 nan 8.150 nan 0.000 0.442 75 E N -0.034 120.208 120.200 0.071 0.000 2.077 75 E HA -0.082 3.977 4.350 -0.485 0.000 0.193 75 E C 2.305 178.948 176.600 0.071 0.000 0.989 75 E CA 0.932 57.365 56.400 0.055 0.000 0.800 75 E CB -0.306 29.416 29.700 0.037 0.000 0.746 75 E HN 0.613 nan 8.360 nan 0.000 0.452 76 A N 1.688 124.572 122.820 0.107 0.000 1.851 76 A HA -0.204 3.825 4.320 -0.485 0.000 0.216 76 A C 2.462 180.099 177.584 0.088 0.000 1.195 76 A CA 1.977 54.086 52.037 0.120 0.000 0.622 76 A CB -1.023 18.103 19.000 0.211 0.000 0.831 76 A HN 0.310 nan 8.150 nan 0.000 0.444 77 A N -0.437 122.437 122.820 0.089 0.000 1.917 77 A HA -0.101 3.928 4.320 -0.485 0.000 0.219 77 A C 2.251 179.858 177.584 0.038 0.000 1.182 77 A CA 2.382 54.451 52.037 0.054 0.000 0.633 77 A CB -1.248 17.784 19.000 0.053 0.000 0.819 77 A HN 0.690 nan 8.150 nan 0.000 0.448 78 V N -0.252 119.687 119.914 0.042 0.000 2.295 78 V HA -0.274 3.555 4.120 -0.485 0.000 0.246 78 V C 2.502 178.613 176.094 0.028 0.000 1.049 78 V CA 1.951 64.270 62.300 0.031 0.000 1.024 78 V CB -1.119 30.722 31.823 0.030 0.000 0.648 78 V HN 0.534 nan 8.190 nan 0.000 0.447 79 L N -0.612 120.632 121.223 0.036 0.000 1.961 79 L HA -0.164 3.885 4.340 -0.485 0.000 0.210 79 L C 2.561 179.452 176.870 0.035 0.000 1.072 79 L CA 1.702 56.564 54.840 0.037 0.000 0.749 79 L CB -0.637 41.450 42.059 0.047 0.000 0.889 79 L HN 0.236 nan 8.230 nan 0.000 0.432 80 L N -0.517 120.731 121.223 0.042 0.000 2.089 80 L HA -0.288 3.761 4.340 -0.485 0.000 0.213 80 L C 2.684 179.560 176.870 0.009 0.000 1.079 80 L CA 1.276 56.136 54.840 0.035 0.000 0.758 80 L CB -0.444 41.640 42.059 0.041 0.000 0.891 80 L HN 0.342 nan 8.230 nan 0.000 0.433 81 Q N -0.270 119.535 119.800 0.008 0.000 2.224 81 Q HA -0.236 3.813 4.340 -0.485 0.000 0.203 81 Q C 2.093 178.092 176.000 -0.002 0.000 0.970 81 Q CA 1.520 57.322 55.803 -0.002 0.000 0.865 81 Q CB -0.075 28.664 28.738 0.001 0.000 0.922 81 Q HN 0.469 nan 8.270 nan 0.000 0.445 82 Q N -1.114 118.688 119.800 0.003 0.000 2.049 82 Q HA -0.095 3.953 4.340 -0.485 0.000 0.198 82 Q C 1.885 177.880 176.000 -0.008 0.000 0.971 82 Q CA 1.260 57.063 55.803 0.000 0.000 0.833 82 Q CB -0.259 28.483 28.738 0.007 0.000 0.896 82 Q HN 0.477 nan 8.270 nan 0.000 0.434 83 A N 0.307 123.123 122.820 -0.007 0.000 1.859 83 A HA -0.268 3.760 4.320 -0.485 0.000 0.217 83 A C 2.224 179.787 177.584 -0.035 0.000 1.198 83 A CA 2.070 54.093 52.037 -0.023 0.000 0.629 83 A CB -1.376 17.613 19.000 -0.019 0.000 0.830 83 A HN 0.470 nan 8.150 nan 0.000 0.446 84 S N -0.249 115.431 115.700 -0.033 0.000 2.389 84 S HA -0.271 3.908 4.470 -0.485 0.000 0.231 84 S C 1.624 176.212 174.600 -0.020 0.000 1.052 84 S CA 2.144 60.326 58.200 -0.030 0.000 1.053 84 S CB -0.667 62.514 63.200 -0.032 0.000 0.886 84 S HN 0.609 nan 8.310 nan 0.000 0.456 85 D N 0.839 121.228 120.400 -0.017 0.000 2.178 85 D HA 0.083 4.432 4.640 -0.485 0.000 0.202 85 D C 2.038 178.328 176.300 -0.017 0.000 0.974 85 D CA 1.180 55.171 54.000 -0.014 0.000 0.841 85 D CB -0.561 40.232 40.800 -0.011 0.000 0.953 85 D HN 0.502 nan 8.370 nan 0.000 0.478 86 A N -0.013 122.793 122.820 -0.023 0.000 2.119 86 A HA 0.375 4.404 4.320 -0.485 0.000 0.216 86 A C 1.357 178.923 177.584 -0.029 0.000 1.152 86 A CA 1.024 53.042 52.037 -0.032 0.000 0.708 86 A CB 0.195 19.166 19.000 -0.049 0.000 0.805 86 A HN 0.156 nan 8.150 nan 0.000 0.460 87 A N -0.440 122.369 122.820 -0.017 0.000 3.370 87 A HA 0.602 4.631 4.320 -0.485 0.000 0.295 87 A C -2.114 175.485 177.584 0.026 0.000 1.030 87 A CA -0.754 51.290 52.037 0.011 0.000 0.883 87 A CB 0.336 19.357 19.000 0.035 0.000 1.191 87 A HN 0.102 nan 8.150 nan 0.000 0.507 88 P HA -0.077 nan 4.420 nan 0.000 0.234 88 P C 0.829 178.135 177.300 0.010 0.000 1.167 88 P CA 1.081 64.184 63.100 0.005 0.000 0.763 88 P CB 0.330 32.028 31.700 -0.002 0.000 0.835 89 E N -2.407 117.803 120.200 0.016 0.000 2.479 89 E HA -0.059 4.000 4.350 -0.485 0.000 0.193 89 E C 0.518 177.125 176.600 0.011 0.000 1.049 89 E CA 0.232 56.634 56.400 0.003 0.000 0.870 89 E CB -1.295 28.397 29.700 -0.014 0.000 0.944 89 E HN 0.266 nan 8.360 nan 0.000 0.492 90 H N 2.657 121.695 119.070 -0.053 0.000 2.705 90 H HA 0.173 4.440 4.556 -0.482 0.000 0.291 90 H C -1.788 173.482 175.328 -0.097 0.000 1.085 90 H CA -2.355 53.650 56.048 -0.072 0.000 1.357 90 H CB 1.526 31.244 29.762 -0.073 0.000 1.419 90 H HN -0.074 nan 8.280 nan 0.000 0.462 91 P HA 0.001 nan 4.420 nan 0.000 0.222 91 P C 1.497 178.806 177.300 0.014 0.000 1.157 91 P CA 0.924 64.041 63.100 0.028 0.000 0.816 91 P CB 0.211 31.891 31.700 -0.033 0.000 0.813 92 G N 1.003 109.855 108.800 0.086 0.000 2.476 92 G HA2 -0.248 3.421 3.960 -0.485 0.000 0.218 92 G HA3 -0.248 3.421 3.960 -0.485 0.000 0.218 92 G C 1.648 176.219 174.900 -0.548 0.000 1.164 92 G CA 0.728 45.671 45.100 -0.261 0.000 0.768 92 G HN 0.234 nan 8.290 nan 0.000 0.560 93 I N 1.315 121.670 120.570 -0.358 0.000 2.202 93 I HA -0.154 3.725 4.170 -0.485 0.000 0.242 93 I C 3.318 179.347 176.117 -0.147 0.000 1.091 93 I CA 0.960 62.075 61.300 -0.308 0.000 1.368 93 I CB -0.258 37.546 38.000 -0.327 0.000 1.058 93 I HN 0.245 nan 8.210 nan 0.000 0.410 94 A N 0.530 123.288 122.820 -0.103 0.000 1.948 94 A HA -0.257 3.772 4.320 -0.485 0.000 0.220 94 A C 2.239 179.709 177.584 -0.190 0.000 1.177 94 A CA 1.879 53.849 52.037 -0.112 0.000 0.636 94 A CB -0.793 18.168 19.000 -0.066 0.000 0.815 94 A HN 0.432 nan 8.150 nan 0.000 0.449 95 L N -1.891 119.235 121.223 -0.161 0.000 2.131 95 L HA -0.012 4.037 4.340 -0.485 0.000 0.206 95 L C 2.083 178.949 176.870 -0.007 0.000 1.087 95 L CA 1.527 56.279 54.840 -0.148 0.000 0.767 95 L CB -0.634 41.432 42.059 0.011 0.000 0.917 95 L HN 0.542 nan 8.230 nan 0.000 0.441 96 W N -0.701 120.529 121.300 -0.115 0.000 2.418 96 W HA -0.048 4.678 4.660 0.110 0.000 0.292 96 W C 2.381 178.770 176.519 -0.218 0.000 1.213 96 W CA 0.725 57.992 57.345 -0.130 0.000 1.283 96 W CB -1.124 28.254 29.460 -0.137 0.000 1.119 96 W HN 0.207 nan 8.180 nan 0.000 0.542 97 L N 1.064 122.289 121.223 0.004 0.000 2.013 97 L HA -0.091 3.958 4.340 -0.485 0.000 0.212 97 L C 2.416 179.149 176.870 -0.229 0.000 1.073 97 L CA 2.682 57.465 54.840 -0.096 0.000 0.753 97 L CB -1.329 40.666 42.059 -0.105 0.000 0.890 97 L HN -0.005 nan 8.230 nan 0.000 0.432 98 G N -1.935 106.588 108.800 -0.462 0.000 2.421 98 G HA2 -0.281 3.387 3.960 -0.485 0.000 0.216 98 G HA3 -0.281 3.387 3.960 -0.485 0.000 0.216 98 G C 1.491 176.054 174.900 -0.562 0.000 1.171 98 G CA 0.888 45.489 45.100 -0.833 0.000 0.775 98 G HN 0.537 nan 8.290 nan 0.000 0.543 99 H N 1.033 119.885 119.070 -0.363 0.000 2.290 99 H HA -0.078 4.214 4.556 -0.440 0.000 0.298 99 H C 2.972 178.175 175.328 -0.208 0.000 1.087 99 H CA 1.491 57.389 56.048 -0.249 0.000 1.291 99 H CB -0.682 28.776 29.762 -0.507 0.000 1.369 99 H HN 0.370 nan 8.280 nan 0.000 0.492 100 A N 1.458 124.209 122.820 -0.115 0.000 1.829 100 A HA -0.173 3.856 4.320 -0.485 0.000 0.216 100 A C 2.789 180.377 177.584 0.008 0.000 1.207 100 A CA 1.676 53.720 52.037 0.011 0.000 0.622 100 A CB -1.226 17.781 19.000 0.012 0.000 0.846 100 A HN 0.324 nan 8.150 nan 0.000 0.447 101 L N -0.447 120.753 121.223 -0.039 0.000 2.113 101 L HA -0.365 3.684 4.340 -0.485 0.000 0.221 101 L C 2.728 179.573 176.870 -0.041 0.000 1.084 101 L CA 2.328 57.146 54.840 -0.037 0.000 0.787 101 L CB -0.752 41.264 42.059 -0.072 0.000 0.893 101 L HN 0.765 nan 8.230 nan 0.000 0.440 102 E N 0.242 120.369 120.200 -0.123 0.000 2.031 102 E HA -0.252 3.807 4.350 -0.485 0.000 0.193 102 E C 1.301 177.878 176.600 -0.040 0.000 0.994 102 E CA 1.717 58.015 56.400 -0.169 0.000 0.800 102 E CB 0.009 29.465 29.700 -0.406 0.000 0.752 102 E HN 0.459 nan 8.360 nan 0.000 0.447 103 D N -0.377 119.992 120.400 -0.051 0.000 2.349 103 D HA 0.039 4.388 4.640 -0.485 0.000 0.224 103 D C 0.394 176.647 176.300 -0.080 0.000 1.029 103 D CA 0.638 54.541 54.000 -0.162 0.000 0.879 103 D CB 0.669 41.145 40.800 -0.540 0.000 0.906 103 D HN 0.235 nan 8.370 nan 0.000 0.528 104 A N -0.208 122.628 122.820 0.027 0.000 2.545 104 A HA 0.492 4.521 4.320 -0.485 0.000 0.277 104 A C 1.561 179.197 177.584 0.087 0.000 1.301 104 A CA 0.253 52.345 52.037 0.092 0.000 0.935 104 A CB -0.199 18.860 19.000 0.098 0.000 1.093 104 A HN 0.100 nan 8.150 nan 0.000 0.519 105 G N -0.151 108.706 108.800 0.094 0.000 2.296 105 G HA2 -0.292 3.376 3.960 -0.485 0.000 0.282 105 G HA3 -0.292 3.376 3.960 -0.485 0.000 0.282 105 G C 0.190 175.162 174.900 0.121 0.000 1.014 105 G CA 0.620 45.793 45.100 0.122 0.000 0.812 105 G HN 0.651 nan 8.290 nan 0.000 0.508 106 Q N -0.464 119.400 119.800 0.107 0.000 3.008 106 Q HA 0.587 4.636 4.340 -0.485 0.000 0.307 106 Q C 1.926 178.020 176.000 0.156 0.000 1.273 106 Q CA 0.086 55.952 55.803 0.104 0.000 1.091 106 Q CB 0.595 29.372 28.738 0.065 0.000 1.393 106 Q HN 0.525 nan 8.270 nan 0.000 0.521 107 A N 1.455 124.426 122.820 0.251 0.000 1.884 107 A HA -0.267 3.762 4.320 -0.485 0.000 0.219 107 A C 1.892 179.722 177.584 0.410 0.000 1.197 107 A CA 1.550 53.864 52.037 0.461 0.000 0.637 107 A CB -0.047 19.194 19.000 0.401 0.000 0.827 107 A HN 0.448 nan 8.150 nan 0.000 0.450 108 E N -0.588 119.745 120.200 0.223 0.000 2.106 108 E HA -0.064 3.995 4.350 -0.485 0.000 0.192 108 E C 2.317 179.000 176.600 0.139 0.000 0.984 108 E CA 1.190 57.689 56.400 0.165 0.000 0.806 108 E CB -0.515 29.236 29.700 0.085 0.000 0.750 108 E HN 0.604 nan 8.360 nan 0.000 0.458 109 A N 1.245 124.125 122.820 0.101 0.000 1.968 109 A HA 0.067 4.096 4.320 -0.485 0.000 0.217 109 A C 2.376 179.974 177.584 0.024 0.000 1.169 109 A CA 1.425 53.493 52.037 0.053 0.000 0.638 109 A CB -0.335 18.683 19.000 0.030 0.000 0.812 109 A HN 0.236 nan 8.150 nan 0.000 0.446 110 A N 0.246 123.086 122.820 0.033 0.000 1.883 110 A HA 0.107 4.136 4.320 -0.485 0.000 0.217 110 A C 2.483 180.071 177.584 0.006 0.000 1.186 110 A CA 2.114 54.096 52.037 -0.092 0.000 0.624 110 A CB -1.042 17.841 19.000 -0.195 0.000 0.822 110 A HN 1.068 nan 8.150 nan 0.000 0.444 111 A N -0.356 122.617 122.820 0.255 0.000 2.019 111 A HA 0.186 4.215 4.320 -0.485 0.000 0.219 111 A C 2.437 180.144 177.584 0.205 0.000 1.164 111 A CA 1.938 54.203 52.037 0.379 0.000 0.644 111 A CB -0.868 18.411 19.000 0.465 0.000 0.805 111 A HN 1.031 nan 8.150 nan 0.000 0.449 112 A N 0.016 122.905 122.820 0.115 0.000 1.877 112 A HA 0.150 4.179 4.320 -0.485 0.000 0.216 112 A C 2.520 180.120 177.584 0.026 0.000 1.186 112 A CA 2.097 54.173 52.037 0.065 0.000 0.620 112 A CB -1.046 17.978 19.000 0.039 0.000 0.822 112 A HN 1.023 nan 8.150 nan 0.000 0.443 113 A N -1.410 121.379 122.820 -0.051 0.000 1.877 113 A HA -0.061 3.968 4.320 -0.485 0.000 0.216 113 A C 2.075 179.583 177.584 -0.126 0.000 1.186 113 A CA 1.576 53.530 52.037 -0.137 0.000 0.620 113 A CB -0.874 17.966 19.000 -0.267 0.000 0.822 113 A HN 0.552 nan 8.150 nan 0.000 0.443 114 Y N 0.684 120.953 120.300 -0.051 0.000 2.207 114 Y HA -0.174 4.081 4.550 -0.491 0.000 0.287 114 Y C 2.967 178.880 175.900 0.021 0.000 1.156 114 Y CA 1.675 59.746 58.100 -0.048 0.000 1.182 114 Y CB -1.143 37.271 38.460 -0.076 0.000 0.979 114 Y HN 0.273 nan 8.280 nan 0.000 0.521 115 T N -0.545 114.122 114.554 0.188 0.000 2.708 115 T HA -0.199 3.860 4.350 -0.485 0.000 0.266 115 T C 2.079 176.860 174.700 0.135 0.000 1.037 115 T CA 1.549 63.748 62.100 0.164 0.000 1.146 115 T CB -0.190 68.755 68.868 0.129 0.000 0.865 115 T HN 0.229 nan 8.240 nan 0.000 0.435 116 R N 0.516 121.063 120.500 0.077 0.000 2.073 116 R HA -0.032 4.017 4.340 -0.485 0.000 0.234 116 R C 2.651 178.979 176.300 0.047 0.000 1.134 116 R CA 1.338 57.465 56.100 0.044 0.000 0.952 116 R CB -0.457 29.851 30.300 0.013 0.000 0.850 116 R HN 0.365 nan 8.270 nan 0.000 0.433 117 A N -0.112 122.741 122.820 0.055 0.000 1.917 117 A HA -0.271 3.758 4.320 -0.485 0.000 0.219 117 A C 1.941 179.595 177.584 0.116 0.000 1.182 117 A CA 2.066 54.142 52.037 0.065 0.000 0.633 117 A CB -0.846 18.194 19.000 0.067 0.000 0.819 117 A HN 0.548 nan 8.150 nan 0.000 0.448 118 H N -0.750 118.347 119.070 0.045 0.000 2.357 118 H HA -0.061 4.203 4.556 -0.487 0.000 0.301 118 H C 2.104 177.448 175.328 0.026 0.000 1.082 118 H CA 2.008 58.079 56.048 0.039 0.000 1.342 118 H CB -0.317 29.473 29.762 0.046 0.000 1.389 118 H HN 0.492 nan 8.280 nan 0.000 0.511 119 Q N -0.181 119.594 119.800 -0.041 0.000 2.173 119 Q HA -0.122 3.927 4.340 -0.485 0.000 0.208 119 Q C 2.135 178.076 176.000 -0.098 0.000 0.989 119 Q CA 2.002 57.746 55.803 -0.099 0.000 0.872 119 Q CB -0.092 28.631 28.738 -0.025 0.000 0.909 119 Q HN 0.520 nan 8.270 nan 0.000 0.420 120 L N -1.212 119.980 121.223 -0.051 0.000 2.477 120 L HA 0.125 4.174 4.340 -0.485 0.000 0.220 120 L C 0.362 177.205 176.870 -0.045 0.000 1.106 120 L CA 0.151 54.965 54.840 -0.044 0.000 0.851 120 L CB 0.378 42.421 42.059 -0.027 0.000 0.994 120 L HN 0.093 nan 8.230 nan 0.000 0.462 121 L N 0.311 121.512 121.223 -0.036 0.000 2.551 121 L HA 0.239 4.288 4.340 -0.485 0.000 0.248 121 L C -1.763 175.100 176.870 -0.012 0.000 1.509 121 L CA -1.087 53.746 54.840 -0.012 0.000 0.842 121 L CB 1.215 43.293 42.059 0.031 0.000 1.087 121 L HN -0.154 nan 8.230 nan 0.000 0.512 122 P HA -0.233 nan 4.420 nan 0.000 0.217 122 P C 1.222 178.539 177.300 0.029 0.000 1.148 122 P CA 1.308 64.315 63.100 -0.154 0.000 0.834 122 P CB 0.239 31.860 31.700 -0.132 0.000 0.783 123 E N -1.235 118.985 120.200 0.034 0.000 2.474 123 E HA -0.029 4.030 4.350 -0.485 0.000 0.194 123 E C 0.453 177.098 176.600 0.076 0.000 1.041 123 E CA 0.441 56.872 56.400 0.052 0.000 0.874 123 E CB -0.404 29.312 29.700 0.026 0.000 0.914 123 E HN 0.149 nan 8.360 nan 0.000 0.498 124 E N 2.677 122.936 120.200 0.099 0.000 2.070 124 E HA 0.114 4.173 4.350 -0.485 0.000 0.282 124 E C -1.832 174.849 176.600 0.134 0.000 1.104 124 E CA -2.392 54.076 56.400 0.114 0.000 0.876 124 E CB 1.559 31.331 29.700 0.120 0.000 1.055 124 E HN 0.011 nan 8.360 nan 0.000 0.401 125 P HA -0.140 nan 4.420 nan 0.000 0.217 125 P C 1.249 178.604 177.300 0.091 0.000 1.151 125 P CA 0.757 63.908 63.100 0.085 0.000 0.828 125 P CB -0.050 31.691 31.700 0.068 0.000 0.788 126 Y N 1.009 121.324 120.300 0.026 0.000 2.114 126 Y HA -0.218 4.039 4.550 -0.488 0.000 0.282 126 Y C 2.079 177.995 175.900 0.027 0.000 1.165 126 Y CA 1.547 59.665 58.100 0.030 0.000 1.148 126 Y CB -1.117 37.375 38.460 0.054 0.000 0.972 126 Y HN -0.186 nan 8.280 nan 0.000 0.504 127 I N -0.834 119.749 120.570 0.022 0.000 2.394 127 I HA -0.295 3.584 4.170 -0.485 0.000 0.251 127 I C 2.082 178.109 176.117 -0.150 0.000 1.136 127 I CA 1.642 62.913 61.300 -0.048 0.000 1.425 127 I CB -0.687 37.392 38.000 0.130 0.000 1.079 127 I HN 0.231 nan 8.210 nan 0.000 0.425 128 T N 0.884 115.361 114.554 -0.129 0.000 2.737 128 T HA -0.093 3.965 4.350 -0.485 0.000 0.265 128 T C 2.177 176.740 174.700 -0.228 0.000 1.038 128 T CA 1.283 63.219 62.100 -0.273 0.000 1.144 128 T CB -0.370 68.410 68.868 -0.146 0.000 0.866 128 T HN 0.448 nan 8.240 nan 0.000 0.434 129 A N 1.804 124.519 122.820 -0.176 0.000 1.883 129 A HA -0.193 3.836 4.320 -0.485 0.000 0.217 129 A C 2.430 179.878 177.584 -0.228 0.000 1.186 129 A CA 1.354 53.297 52.037 -0.156 0.000 0.624 129 A CB -0.661 18.265 19.000 -0.125 0.000 0.822 129 A HN 0.317 nan 8.150 nan 0.000 0.444 130 Q N -0.912 118.656 119.800 -0.387 0.000 2.045 130 Q HA -0.206 3.843 4.340 -0.485 0.000 0.206 130 Q C 2.154 177.899 176.000 -0.426 0.000 0.991 130 Q CA 1.746 57.240 55.803 -0.514 0.000 0.851 130 Q CB -0.809 27.463 28.738 -0.775 0.000 0.911 130 Q HN 0.600 nan 8.270 nan 0.000 0.418 131 L N 0.450 121.469 121.223 -0.341 0.000 2.093 131 L HA -0.123 3.926 4.340 -0.485 0.000 0.208 131 L C 2.169 178.992 176.870 -0.079 0.000 1.085 131 L CA 1.185 55.919 54.840 -0.177 0.000 0.755 131 L CB -0.717 41.254 42.059 -0.146 0.000 0.904 131 L HN 0.198 nan 8.230 nan 0.000 0.435 132 L N -0.047 121.111 121.223 -0.108 0.000 2.017 132 L HA -0.236 3.813 4.340 -0.485 0.000 0.208 132 L C 2.314 179.176 176.870 -0.012 0.000 1.073 132 L CA 2.037 56.848 54.840 -0.049 0.000 0.745 132 L CB -1.128 40.897 42.059 -0.056 0.000 0.894 132 L HN 0.531 nan 8.230 nan 0.000 0.432 133 N N -1.097 117.590 118.700 -0.021 0.000 2.120 133 N HA -0.277 4.171 4.740 -0.485 0.000 0.188 133 N C 1.971 177.519 175.510 0.063 0.000 1.024 133 N CA 1.542 54.603 53.050 0.018 0.000 0.852 133 N CB -0.377 38.128 38.487 0.031 0.000 1.003 133 N HN 0.617 nan 8.380 nan 0.000 0.424 134 W N 1.905 123.128 121.300 -0.129 0.000 2.402 134 W HA -0.036 4.343 4.660 -0.468 0.000 0.286 134 W C 2.050 178.570 176.519 0.002 0.000 1.221 134 W CA 0.559 57.861 57.345 -0.071 0.000 1.257 134 W CB -0.003 29.379 29.460 -0.130 0.000 1.120 134 W HN 0.164 nan 8.180 nan 0.000 0.551 135 R N -0.177 120.346 120.500 0.038 0.000 2.090 135 R HA -0.092 3.956 4.340 -0.485 0.000 0.228 135 R C 2.329 178.635 176.300 0.011 0.000 1.110 135 R CA 0.921 57.029 56.100 0.013 0.000 0.973 135 R CB -0.278 30.062 30.300 0.067 0.000 0.869 135 R HN 0.112 nan 8.270 nan 0.000 0.440 136 R N 0.306 120.834 120.500 0.046 0.000 2.073 136 R HA -0.089 3.960 4.340 -0.485 0.000 0.234 136 R C 2.225 178.555 176.300 0.051 0.000 1.134 136 R CA 1.263 57.436 56.100 0.122 0.000 0.952 136 R CB -0.215 30.153 30.300 0.114 0.000 0.850 136 R HN 0.199 nan 8.270 nan 0.000 0.433 137 R N 0.496 120.936 120.500 -0.101 0.000 2.152 137 R HA -0.072 3.977 4.340 -0.485 0.000 0.232 137 R C 1.749 177.885 176.300 -0.273 0.000 1.117 137 R CA 0.951 56.923 56.100 -0.214 0.000 0.981 137 R CB -0.103 29.846 30.300 -0.584 0.000 0.870 137 R HN 0.244 nan 8.270 nan 0.000 0.451 138 L N -0.595 120.458 121.223 -0.283 0.000 2.640 138 L HA 0.137 4.186 4.340 -0.485 0.000 0.230 138 L C 0.438 177.167 176.870 -0.236 0.000 1.123 138 L CA -0.394 54.304 54.840 -0.236 0.000 0.900 138 L CB 0.278 42.212 42.059 -0.208 0.000 1.146 138 L HN 0.225 nan 8.230 nan 0.000 0.484 139 C N 0.404 119.584 119.300 -0.200 0.000 4.259 139 C HA -0.199 3.970 4.460 -0.485 0.000 0.294 139 C C 0.859 175.314 174.990 -0.891 0.000 1.459 139 C CA 0.298 59.036 59.018 -0.467 0.000 2.016 139 C CB -2.790 24.612 27.740 -0.563 0.000 1.274 139 C HN 0.639 nan 8.230 nan 0.000 0.792 140 D N -0.025 120.152 120.400 -0.372 0.000 2.374 140 D HA 0.167 4.516 4.640 -0.485 0.000 0.240 140 D C 0.525 176.804 176.300 -0.034 0.000 1.229 140 D CA -0.245 53.611 54.000 -0.242 0.000 0.895 140 D CB 0.181 40.930 40.800 -0.086 0.000 1.046 140 D HN 0.569 nan 8.370 nan 0.000 0.498 141 W N 3.890 125.153 121.300 -0.061 0.000 3.325 141 W HA 0.195 4.563 4.660 -0.487 0.000 0.370 141 W C 0.435 176.936 176.519 -0.029 0.000 1.169 141 W CA -0.733 56.572 57.345 -0.067 0.000 1.874 141 W CB -0.632 28.754 29.460 -0.123 0.000 1.076 141 W HN 0.155 nan 8.180 nan 0.000 0.684 142 R N 1.355 121.954 120.500 0.165 0.000 2.458 142 R HA 0.212 4.261 4.340 -0.485 0.000 0.303 142 R C 1.203 177.568 176.300 0.108 0.000 1.013 142 R CA 0.870 57.040 56.100 0.118 0.000 1.026 142 R CB 0.188 30.537 30.300 0.082 0.000 0.948 142 R HN 0.088 nan 8.270 nan 0.000 0.417 143 A N 2.621 125.498 122.820 0.095 0.000 2.847 143 A HA -0.204 3.825 4.320 -0.485 0.000 0.263 143 A C 1.129 178.749 177.584 0.060 0.000 1.391 143 A CA 0.827 52.909 52.037 0.074 0.000 0.866 143 A CB -1.600 17.447 19.000 0.079 0.000 1.057 143 A HN 0.724 nan 8.150 nan 0.000 0.673 144 L N 0.328 121.588 121.223 0.062 0.000 2.012 144 L HA -0.161 3.888 4.340 -0.485 0.000 0.210 144 L C 2.096 178.962 176.870 -0.007 0.000 1.073 144 L CA 2.900 57.758 54.840 0.029 0.000 0.748 144 L CB -0.437 41.628 42.059 0.011 0.000 0.891 144 L HN 0.562 nan 8.230 nan 0.000 0.431 145 D N -0.887 119.508 120.400 -0.009 0.000 2.116 145 D HA -0.209 4.140 4.640 -0.485 0.000 0.193 145 D C 2.303 178.603 176.300 -0.001 0.000 0.998 145 D CA 1.776 55.766 54.000 -0.016 0.000 0.836 145 D CB -0.536 40.258 40.800 -0.009 0.000 0.951 145 D HN 0.317 nan 8.370 nan 0.000 0.449 146 V N 1.227 121.152 119.914 0.019 0.000 2.307 146 V HA -0.190 3.638 4.120 -0.485 0.000 0.245 146 V C 2.721 178.832 176.094 0.029 0.000 1.045 146 V CA 1.022 63.341 62.300 0.031 0.000 1.024 146 V CB -0.448 31.405 31.823 0.049 0.000 0.651 146 V HN 0.171 nan 8.190 nan 0.000 0.449 147 L N -0.376 120.860 121.223 0.022 0.000 2.042 147 L HA -0.196 3.852 4.340 -0.485 0.000 0.210 147 L C 2.711 179.575 176.870 -0.009 0.000 1.076 147 L CA 1.930 56.768 54.840 -0.003 0.000 0.749 147 L CB -0.637 41.408 42.059 -0.023 0.000 0.893 147 L HN 0.359 nan 8.230 nan 0.000 0.432 148 S N -0.606 115.086 115.700 -0.014 0.000 2.355 148 S HA -0.162 4.017 4.470 -0.485 0.000 0.222 148 S C 2.120 176.719 174.600 -0.002 0.000 1.031 148 S CA 1.207 59.392 58.200 -0.025 0.000 0.993 148 S CB -0.082 63.084 63.200 -0.057 0.000 0.859 148 S HN 0.449 nan 8.310 nan 0.000 0.453 149 A N 1.030 123.851 122.820 0.002 0.000 1.865 149 A HA -0.184 3.845 4.320 -0.485 0.000 0.217 149 A C 2.108 179.711 177.584 0.031 0.000 1.191 149 A CA 1.827 53.873 52.037 0.014 0.000 0.623 149 A CB -1.000 18.007 19.000 0.012 0.000 0.826 149 A HN 0.679 nan 8.150 nan 0.000 0.444 150 Q N -0.648 119.172 119.800 0.032 0.000 2.096 150 Q HA -0.183 3.866 4.340 -0.485 0.000 0.208 150 Q C 2.193 178.217 176.000 0.040 0.000 0.993 150 Q CA 2.016 57.843 55.803 0.039 0.000 0.862 150 Q CB -0.439 28.327 28.738 0.046 0.000 0.915 150 Q HN 0.514 nan 8.270 nan 0.000 0.416 151 V N 0.518 120.459 119.914 0.045 0.000 2.358 151 V HA -0.250 3.579 4.120 -0.485 0.000 0.246 151 V C 2.165 178.331 176.094 0.120 0.000 1.047 151 V CA 1.780 64.121 62.300 0.069 0.000 1.035 151 V CB -0.462 31.411 31.823 0.084 0.000 0.658 151 V HN 0.287 nan 8.190 nan 0.000 0.452 152 R N 0.189 120.786 120.500 0.162 0.000 2.091 152 R HA -0.138 3.911 4.340 -0.485 0.000 0.238 152 R C 2.421 178.767 176.300 0.077 0.000 1.136 152 R CA 1.534 57.751 56.100 0.195 0.000 0.959 152 R CB -0.615 29.774 30.300 0.149 0.000 0.856 152 R HN 0.538 nan 8.270 nan 0.000 0.437 153 A N 1.092 123.940 122.820 0.048 0.000 1.933 153 A HA -0.111 3.918 4.320 -0.485 0.000 0.218 153 A C 2.359 179.945 177.584 0.004 0.000 1.175 153 A CA 1.626 53.677 52.037 0.023 0.000 0.628 153 A CB -0.662 18.352 19.000 0.023 0.000 0.814 153 A HN 0.404 nan 8.150 nan 0.000 0.444 154 A N -0.541 122.281 122.820 0.002 0.000 1.908 154 A HA -0.027 4.002 4.320 -0.485 0.000 0.218 154 A C 2.246 179.791 177.584 -0.066 0.000 1.181 154 A CA 1.829 53.854 52.037 -0.020 0.000 0.627 154 A CB -0.954 18.040 19.000 -0.009 0.000 0.818 154 A HN 0.370 nan 8.150 nan 0.000 0.445 155 V N -0.133 119.714 119.914 -0.111 0.000 2.255 155 V HA -0.287 3.542 4.120 -0.485 0.000 0.247 155 V C 3.090 179.114 176.094 -0.117 0.000 1.051 155 V CA 2.051 64.230 62.300 -0.201 0.000 1.018 155 V CB -1.306 30.279 31.823 -0.395 0.000 0.641 155 V HN 0.641 nan 8.190 nan 0.000 0.445 156 A N 0.255 123.039 122.820 -0.060 0.000 1.958 156 A HA -0.319 3.710 4.320 -0.485 0.000 0.221 156 A C 2.003 179.569 177.584 -0.030 0.000 1.178 156 A CA 2.310 54.329 52.037 -0.030 0.000 0.642 156 A CB -0.502 18.495 19.000 -0.004 0.000 0.816 156 A HN 0.802 nan 8.150 nan 0.000 0.453 157 Q N -1.567 118.215 119.800 -0.030 0.000 2.280 157 Q HA 0.389 4.438 4.340 -0.485 0.000 0.201 157 Q C 0.873 176.854 176.000 -0.033 0.000 0.890 157 Q CA 0.287 56.075 55.803 -0.024 0.000 0.947 157 Q CB -0.108 28.622 28.738 -0.013 0.000 1.081 157 Q HN 0.958 nan 8.270 nan 0.000 0.502 158 G N 1.144 109.913 108.800 -0.052 0.000 2.221 158 G HA2 -0.239 3.430 3.960 -0.485 0.000 0.265 158 G HA3 -0.239 3.430 3.960 -0.485 0.000 0.265 158 G C 0.154 175.025 174.900 -0.050 0.000 1.041 158 G CA 0.338 45.403 45.100 -0.059 0.000 0.807 158 G HN 0.312 nan 8.290 nan 0.000 0.502 159 V N -0.428 119.457 119.914 -0.048 0.000 2.666 159 V HA 0.589 4.418 4.120 -0.485 0.000 0.306 159 V C 1.294 177.365 176.094 -0.038 0.000 1.156 159 V CA 0.010 62.292 62.300 -0.030 0.000 1.274 159 V CB 0.798 32.616 31.823 -0.009 0.000 1.536 159 V HN 0.764 nan 8.190 nan 0.000 0.640 160 G N 0.857 109.610 108.800 -0.079 0.000 3.541 160 G HA2 0.387 4.056 3.960 -0.485 0.000 0.253 160 G HA3 0.387 4.056 3.960 -0.485 0.000 0.253 160 G C 1.325 176.179 174.900 -0.076 0.000 1.017 160 G CA 0.400 45.429 45.100 -0.118 0.000 1.832 160 G HN 0.721 nan 8.290 nan 0.000 0.649 161 A N -0.019 122.809 122.820 0.013 0.000 2.161 161 A HA -0.212 3.816 4.320 -0.485 0.000 0.227 161 A C 1.391 179.031 177.584 0.094 0.000 1.405 161 A CA 1.590 53.710 52.037 0.138 0.000 0.717 161 A CB -0.658 18.448 19.000 0.177 0.000 0.835 161 A HN 0.628 nan 8.150 nan 0.000 0.539 162 V N 0.841 120.731 119.914 -0.039 0.000 2.530 162 V HA 0.252 4.081 4.120 -0.485 0.000 0.282 162 V C 0.510 176.540 176.094 -0.108 0.000 1.048 162 V CA -0.576 61.678 62.300 -0.077 0.000 0.997 162 V CB 1.410 33.126 31.823 -0.178 0.000 0.987 162 V HN 0.440 nan 8.190 nan 0.000 0.477 163 E N 7.157 127.341 120.200 -0.027 0.000 2.152 163 E HA 0.234 4.293 4.350 -0.485 0.000 0.285 163 E C -1.880 174.719 176.600 -0.000 0.000 1.043 163 E CA -2.241 54.144 56.400 -0.026 0.000 0.839 163 E CB 1.894 31.649 29.700 0.092 0.000 1.069 163 E HN 0.343 nan 8.360 nan 0.000 0.399 164 P HA -0.172 nan 4.420 nan 0.000 0.217 164 P C 1.157 178.649 177.300 0.320 0.000 1.151 164 P CA 1.062 64.114 63.100 -0.079 0.000 0.849 164 P CB -0.085 31.250 31.700 -0.609 0.000 0.787 165 F N 0.387 120.500 119.950 0.271 0.000 2.186 165 F HA -0.078 4.158 4.527 -0.484 0.000 0.299 165 F C 2.157 178.060 175.800 0.171 0.000 1.090 165 F CA 1.390 59.613 58.000 0.371 0.000 1.307 165 F CB -0.735 38.492 39.000 0.379 0.000 1.019 165 F HN -0.141 nan 8.300 nan 0.000 0.489 166 A N -0.113 122.880 122.820 0.289 0.000 1.933 166 A HA -0.220 3.809 4.320 -0.485 0.000 0.218 166 A C 2.079 179.677 177.584 0.023 0.000 1.175 166 A CA 1.397 53.488 52.037 0.090 0.000 0.628 166 A CB -1.638 17.433 19.000 0.118 0.000 0.814 166 A HN 0.490 nan 8.150 nan 0.000 0.444 167 F N 0.563 120.469 119.950 -0.073 0.000 2.307 167 F HA -0.120 4.115 4.527 -0.486 0.000 0.301 167 F C 1.734 177.434 175.800 -0.166 0.000 1.076 167 F CA 0.983 58.919 58.000 -0.106 0.000 1.383 167 F CB -0.236 38.707 39.000 -0.094 0.000 1.055 167 F HN 0.149 nan 8.300 nan 0.000 0.526 168 L N -1.163 119.909 121.223 -0.251 0.000 2.353 168 L HA -0.205 3.844 4.340 -0.485 0.000 0.220 168 L C 2.240 178.854 176.870 -0.426 0.000 1.133 168 L CA 1.038 55.585 54.840 -0.490 0.000 0.798 168 L CB -0.650 40.885 42.059 -0.873 0.000 0.922 168 L HN 0.003 nan 8.230 nan 0.000 0.445 169 S N -1.296 114.261 115.700 -0.239 0.000 2.489 169 S HA 0.005 4.184 4.470 -0.485 0.000 0.228 169 S C 0.644 175.119 174.600 -0.208 0.000 0.995 169 S CA 0.354 58.503 58.200 -0.086 0.000 0.934 169 S CB -0.057 63.139 63.200 -0.006 0.000 0.771 169 S HN 0.307 nan 8.310 nan 0.000 0.522 170 E N 1.954 121.931 120.200 -0.372 0.000 2.319 170 E HA 0.163 4.221 4.350 -0.485 0.000 0.268 170 E C -0.601 175.762 176.600 -0.396 0.000 1.050 170 E CA -0.408 55.750 56.400 -0.404 0.000 0.878 170 E CB 0.279 29.622 29.700 -0.594 0.000 1.066 170 E HN 0.038 nan 8.360 nan 0.000 0.406 171 D N 1.245 121.473 120.400 -0.286 0.000 2.767 171 D HA 0.191 4.540 4.640 -0.485 0.000 0.231 171 D C -0.514 175.654 176.300 -0.220 0.000 1.105 171 D CA 0.183 54.047 54.000 -0.225 0.000 1.024 171 D CB -0.247 40.471 40.800 -0.137 0.000 1.123 171 D HN 0.301 nan 8.370 nan 0.000 0.470 172 A N 0.885 123.524 122.820 -0.303 0.000 2.317 172 A HA 0.483 4.512 4.320 -0.485 0.000 0.327 172 A C 0.759 178.238 177.584 -0.174 0.000 1.178 172 A CA -0.700 51.200 52.037 -0.229 0.000 0.817 172 A CB 0.958 19.767 19.000 -0.319 0.000 1.189 172 A HN 0.287 nan 8.150 nan 0.000 0.489 173 S N 1.452 117.071 115.700 -0.137 0.000 2.572 173 S HA 0.275 4.454 4.470 -0.485 0.000 0.262 173 S C 1.362 175.816 174.600 -0.244 0.000 1.375 173 S CA 0.094 58.175 58.200 -0.198 0.000 0.996 173 S CB 0.502 63.575 63.200 -0.213 0.000 0.892 173 S HN 1.797 nan 8.310 nan 0.000 0.562 174 A N 1.574 124.146 122.820 -0.412 0.000 2.019 174 A HA 0.171 4.200 4.320 -0.485 0.000 0.219 174 A C 2.396 179.730 177.584 -0.416 0.000 1.164 174 A CA 1.704 53.478 52.037 -0.440 0.000 0.644 174 A CB -1.638 17.017 19.000 -0.575 0.000 0.805 174 A HN 1.337 nan 8.150 nan 0.000 0.449 175 A N 0.142 122.636 122.820 -0.544 0.000 1.858 175 A HA -0.186 3.842 4.320 -0.485 0.000 0.216 175 A C 1.911 179.493 177.584 -0.003 0.000 1.190 175 A CA 1.652 53.634 52.037 -0.092 0.000 0.617 175 A CB -0.573 18.436 19.000 0.015 0.000 0.827 175 A HN 0.624 nan 8.150 nan 0.000 0.443 176 E N -0.378 119.819 120.200 -0.006 0.000 2.077 176 E HA -0.242 3.817 4.350 -0.485 0.000 0.193 176 E C 2.322 178.989 176.600 0.112 0.000 0.989 176 E CA 1.382 57.831 56.400 0.083 0.000 0.800 176 E CB -0.244 29.568 29.700 0.186 0.000 0.746 176 E HN 0.709 nan 8.360 nan 0.000 0.452 177 Q N 0.398 120.292 119.800 0.156 0.000 2.030 177 Q HA -0.211 3.838 4.340 -0.485 0.000 0.204 177 Q C 2.413 178.413 176.000 0.001 0.000 0.986 177 Q CA 1.251 57.145 55.803 0.152 0.000 0.843 177 Q CB -0.266 28.511 28.738 0.065 0.000 0.904 177 Q HN 0.202 nan 8.270 nan 0.000 0.420 178 L N 0.729 121.938 121.223 -0.024 0.000 2.043 178 L HA -0.211 3.838 4.340 -0.485 0.000 0.212 178 L C 2.134 178.971 176.870 -0.056 0.000 1.075 178 L CA 2.221 57.040 54.840 -0.035 0.000 0.752 178 L CB -0.779 41.300 42.059 0.033 0.000 0.891 178 L HN 0.154 nan 8.230 nan 0.000 0.432 179 A N -1.327 121.460 122.820 -0.055 0.000 1.877 179 A HA -0.288 3.741 4.320 -0.485 0.000 0.216 179 A C 2.533 180.010 177.584 -0.179 0.000 1.186 179 A CA 1.748 53.730 52.037 -0.092 0.000 0.620 179 A CB -1.658 17.298 19.000 -0.074 0.000 0.822 179 A HN 0.688 nan 8.150 nan 0.000 0.443 180 C N -0.753 118.379 119.300 -0.279 0.000 2.422 180 C HA 0.137 4.306 4.460 -0.485 0.000 0.279 180 C C 3.076 177.841 174.990 -0.375 0.000 1.305 180 C CA 1.174 59.926 59.018 -0.444 0.000 1.757 180 C CB -1.333 25.919 27.740 -0.814 0.000 1.962 180 C HN 0.643 nan 8.230 nan 0.000 0.499 181 A N 0.464 123.129 122.820 -0.259 0.000 1.855 181 A HA -0.052 3.977 4.320 -0.485 0.000 0.213 181 A C 2.421 179.927 177.584 -0.130 0.000 1.195 181 A CA 1.299 53.200 52.037 -0.227 0.000 0.610 181 A CB -0.824 18.160 19.000 -0.025 0.000 0.837 181 A HN 0.677 nan 8.150 nan 0.000 0.444 182 R N -0.497 119.941 120.500 -0.104 0.000 2.105 182 R HA -0.135 3.914 4.340 -0.485 0.000 0.239 182 R C 2.020 178.270 176.300 -0.084 0.000 1.135 182 R CA 2.068 58.114 56.100 -0.089 0.000 0.967 182 R CB -0.744 29.508 30.300 -0.081 0.000 0.861 182 R HN 0.454 nan 8.270 nan 0.000 0.442 183 T N 0.588 115.070 114.554 -0.119 0.000 2.635 183 T HA -0.210 3.849 4.350 -0.485 0.000 0.267 183 T C 1.800 176.446 174.700 -0.091 0.000 1.040 183 T CA 2.004 64.037 62.100 -0.110 0.000 1.156 183 T CB -0.251 68.526 68.868 -0.151 0.000 0.863 183 T HN 0.296 nan 8.240 nan 0.000 0.430 184 R N 0.853 121.250 120.500 -0.172 0.000 2.075 184 R HA 0.107 4.156 4.340 -0.485 0.000 0.232 184 R C 2.463 178.843 176.300 0.134 0.000 1.126 184 R CA 1.423 57.428 56.100 -0.159 0.000 0.963 184 R CB -0.729 29.209 30.300 -0.605 0.000 0.858 184 R HN 0.361 nan 8.270 nan 0.000 0.435 185 A N 0.380 123.331 122.820 0.219 0.000 1.865 185 A HA -0.243 3.786 4.320 -0.485 0.000 0.217 185 A C 2.076 179.825 177.584 0.275 0.000 1.191 185 A CA 1.710 53.952 52.037 0.341 0.000 0.623 185 A CB -0.674 18.256 19.000 -0.116 0.000 0.826 185 A HN 0.500 nan 8.150 nan 0.000 0.444 186 Q N -0.777 119.086 119.800 0.105 0.000 2.135 186 Q HA -0.165 3.884 4.340 -0.485 0.000 0.204 186 Q C 2.401 178.474 176.000 0.122 0.000 0.981 186 Q CA 1.400 57.260 55.803 0.095 0.000 0.856 186 Q CB -0.406 28.349 28.738 0.028 0.000 0.902 186 Q HN 0.714 nan 8.270 nan 0.000 0.425 187 A N 0.798 123.685 122.820 0.110 0.000 1.877 187 A HA -0.180 3.849 4.320 -0.485 0.000 0.216 187 A C 2.014 179.678 177.584 0.133 0.000 1.186 187 A CA 1.147 53.241 52.037 0.095 0.000 0.620 187 A CB -0.606 18.431 19.000 0.062 0.000 0.822 187 A HN 0.304 nan 8.150 nan 0.000 0.443 188 I N -0.208 120.494 120.570 0.219 0.000 2.163 188 I HA -0.310 3.569 4.170 -0.485 0.000 0.243 188 I C 2.968 179.182 176.117 0.161 0.000 1.085 188 I CA 1.152 62.571 61.300 0.197 0.000 1.347 188 I CB -0.245 37.931 38.000 0.294 0.000 1.044 188 I HN 0.369 nan 8.210 nan 0.000 0.408 189 A N 0.485 123.501 122.820 0.327 0.000 1.902 189 A HA -0.177 3.852 4.320 -0.485 0.000 0.217 189 A C 2.520 180.183 177.584 0.131 0.000 1.181 189 A CA 1.831 54.036 52.037 0.280 0.000 0.623 189 A CB -0.866 18.374 19.000 0.400 0.000 0.818 189 A HN 0.444 nan 8.150 nan 0.000 0.443 190 A N 0.288 123.175 122.820 0.110 0.000 1.877 190 A HA -0.101 3.927 4.320 -0.485 0.000 0.216 190 A C 2.347 179.955 177.584 0.041 0.000 1.186 190 A CA 2.170 54.246 52.037 0.064 0.000 0.620 190 A CB -1.036 17.997 19.000 0.054 0.000 0.822 190 A HN 1.146 nan 8.150 nan 0.000 0.443 191 S N -1.207 114.516 115.700 0.037 0.000 2.727 191 S HA 0.296 4.475 4.470 -0.485 0.000 0.226 191 S C 0.012 174.610 174.600 -0.004 0.000 0.963 191 S CA 0.399 58.608 58.200 0.016 0.000 0.950 191 S CB -0.684 62.526 63.200 0.016 0.000 0.779 191 S HN 0.319 nan 8.310 nan 0.000 0.532 192 V N 0.923 120.833 119.914 -0.007 0.000 2.752 192 V HA 0.414 4.243 4.120 -0.485 0.000 0.302 192 V C -0.502 175.578 176.094 -0.025 0.000 1.133 192 V CA -0.870 61.410 62.300 -0.034 0.000 0.919 192 V CB 2.021 33.792 31.823 -0.087 0.000 1.026 192 V HN 0.275 nan 8.190 nan 0.000 0.429 193 R N 4.300 124.783 120.500 -0.028 0.000 2.221 193 R HA 0.509 4.558 4.340 -0.485 0.000 0.327 193 R C -2.438 173.840 176.300 -0.036 0.000 1.033 193 R CA -1.507 54.580 56.100 -0.021 0.000 0.887 193 R CB 1.555 31.846 30.300 -0.016 0.000 1.057 193 R HN 0.450 nan 8.270 nan 0.000 0.455 194 P HA -0.003 nan 4.420 nan 0.000 0.271 194 P C -0.291 176.984 177.300 -0.042 0.000 1.233 194 P CA -0.223 62.852 63.100 -0.042 0.000 0.789 194 P CB 0.602 32.293 31.700 -0.015 0.000 0.951 195 L N 0.652 121.842 121.223 -0.056 0.000 2.452 195 L HA 0.262 4.310 4.340 -0.485 0.000 0.267 195 L C 0.889 177.737 176.870 -0.036 0.000 1.188 195 L CA -0.820 53.990 54.840 -0.050 0.000 0.821 195 L CB 0.165 42.183 42.059 -0.069 0.000 1.102 195 L HN 0.455 nan 8.230 nan 0.000 0.470 196 A N 4.448 127.250 122.820 -0.030 0.000 2.584 196 A HA 0.194 4.223 4.320 -0.485 0.000 0.239 196 A C -2.010 175.561 177.584 -0.022 0.000 1.043 196 A CA -0.756 51.268 52.037 -0.021 0.000 0.756 196 A CB -0.825 18.163 19.000 -0.020 0.000 0.963 196 A HN 0.473 nan 8.150 nan 0.000 0.511 197 P HA 0.278 nan 4.420 nan 0.000 0.272 197 P C -0.037 177.257 177.300 -0.009 0.000 1.223 197 P CA 0.082 63.178 63.100 -0.008 0.000 0.784 197 P CB 1.235 32.938 31.700 0.004 0.000 0.923 198 T N 0.897 115.445 114.554 -0.009 0.000 2.742 198 T HA 0.579 4.637 4.350 -0.485 0.000 0.282 198 T C -1.049 173.655 174.700 0.007 0.000 1.025 198 T CA -0.752 61.343 62.100 -0.009 0.000 1.020 198 T CB 1.328 70.180 68.868 -0.027 0.000 1.317 198 T HN 0.382 nan 8.240 nan 0.000 0.538 199 R N 0.766 121.273 120.500 0.012 0.000 2.626 199 R HA 0.534 4.583 4.340 -0.485 0.000 0.274 199 R C -1.233 175.090 176.300 0.039 0.000 1.031 199 R CA -0.699 55.423 56.100 0.036 0.000 0.898 199 R CB 2.094 32.422 30.300 0.047 0.000 1.222 199 R HN 0.511 nan 8.270 nan 0.000 0.455 200 V N 4.874 124.821 119.914 0.054 0.000 2.625 200 V HA -0.095 3.734 4.120 -0.485 0.000 0.305 200 V C 0.916 177.076 176.094 0.110 0.000 1.055 200 V CA 0.528 62.860 62.300 0.053 0.000 1.209 200 V CB -0.239 31.628 31.823 0.073 0.000 0.877 200 V HN 0.709 nan 8.190 nan 0.000 0.489 201 R N 4.072 124.638 120.500 0.110 0.000 2.679 201 R HA 0.123 4.172 4.340 -0.485 0.000 0.268 201 R C 0.885 177.394 176.300 0.348 0.000 1.044 201 R CA 0.256 56.464 56.100 0.181 0.000 1.105 201 R CB 0.294 30.689 30.300 0.158 0.000 0.989 201 R HN 0.633 nan 8.270 nan 0.000 0.447 202 S N 1.425 117.254 115.700 0.216 0.000 2.335 202 S HA 0.002 4.181 4.470 -0.485 0.000 0.217 202 S C 0.328 174.971 174.600 0.073 0.000 1.032 202 S CA 0.867 59.150 58.200 0.138 0.000 0.985 202 S CB 0.037 63.266 63.200 0.047 0.000 0.896 202 S HN 0.491 nan 8.310 nan 0.000 0.445 203 K N 1.220 121.679 120.400 0.098 0.000 2.164 203 K HA 0.656 4.685 4.320 -0.485 0.000 0.258 203 K C 0.277 177.010 176.600 0.221 0.000 0.951 203 K CA 0.126 56.448 56.287 0.059 0.000 0.844 203 K CB 1.119 33.630 32.500 0.018 0.000 1.099 203 K HN 0.460 nan 8.250 nan 0.000 0.435 204 G N 2.858 111.817 108.800 0.264 0.000 2.515 204 G HA2 -0.106 3.563 3.960 -0.485 0.000 0.686 204 G HA3 -0.106 3.563 3.960 -0.485 0.000 0.686 204 G C -3.070 172.104 174.900 0.456 0.000 1.274 204 G CA -1.278 43.992 45.100 0.283 0.000 0.874 204 G HN 0.327 nan 8.290 nan 0.000 0.631 205 P HA 0.331 nan 4.420 nan 0.000 0.265 205 P C 0.176 177.520 177.300 0.073 0.000 1.193 205 P CA -0.410 62.833 63.100 0.239 0.000 0.765 205 P CB 0.564 32.357 31.700 0.155 0.000 0.823 206 L N 4.854 125.980 121.223 -0.162 0.000 2.418 206 L HA 0.099 4.147 4.340 -0.485 0.000 0.274 206 L C 0.791 177.583 176.870 -0.130 0.000 1.135 206 L CA 0.519 55.117 54.840 -0.404 0.000 0.870 206 L CB -0.410 41.218 42.059 -0.717 0.000 1.154 206 L HN 0.258 nan 8.230 nan 0.000 0.462 207 R N 4.038 124.484 120.500 -0.091 0.000 2.196 207 R HA 0.497 4.546 4.340 -0.485 0.000 0.340 207 R C -1.176 175.147 176.300 0.038 0.000 1.043 207 R CA -0.545 55.573 56.100 0.030 0.000 0.883 207 R CB 0.985 31.274 30.300 -0.019 0.000 1.078 207 R HN 0.367 nan 8.270 nan 0.000 0.462 208 V N 2.353 122.363 119.914 0.159 0.000 2.444 208 V HA 0.561 4.390 4.120 -0.485 0.000 0.294 208 V C 0.435 176.671 176.094 0.237 0.000 1.022 208 V CA -0.830 61.561 62.300 0.152 0.000 0.850 208 V CB 1.878 33.820 31.823 0.198 0.000 0.992 208 V HN 0.921 nan 8.190 nan 0.000 0.426 209 G N 3.091 111.964 108.800 0.122 0.000 2.453 209 G HA2 0.793 4.462 3.960 -0.485 0.000 0.323 209 G HA3 0.793 4.462 3.960 -0.485 0.000 0.323 209 G C -1.527 173.433 174.900 0.099 0.000 1.198 209 G CA -0.467 44.827 45.100 0.324 0.000 0.959 209 G HN 0.426 nan 8.290 nan 0.000 0.482 210 F N 0.859 121.197 119.950 0.648 0.000 2.562 210 F HA 0.448 4.683 4.527 -0.486 0.000 0.319 210 F C 0.044 176.301 175.800 0.763 0.000 1.154 210 F CA -0.978 57.448 58.000 0.710 0.000 0.931 210 F CB 2.508 41.923 39.000 0.693 0.000 1.198 210 F HN 0.408 nan 8.300 nan 0.000 0.444 211 V N 2.755 123.152 119.914 0.805 0.000 2.472 211 V HA 0.907 4.736 4.120 -0.485 0.000 0.290 211 V C -0.587 175.762 176.094 0.425 0.000 1.037 211 V CA 0.141 62.827 62.300 0.644 0.000 0.908 211 V CB 1.465 33.549 31.823 0.435 0.000 0.985 211 V HN 0.849 nan 8.190 nan 0.000 0.454 212 S N 3.386 119.209 115.700 0.205 0.000 2.627 212 S HA 0.424 4.603 4.470 -0.485 0.000 0.268 212 S C -0.308 174.147 174.600 -0.241 0.000 1.130 212 S CA -0.131 57.948 58.200 -0.201 0.000 0.819 212 S CB 1.411 64.186 63.200 -0.707 0.000 1.100 212 S HN 1.136 nan 8.310 nan 0.000 0.465 213 N N 0.031 118.574 118.700 -0.261 0.000 2.197 213 N HA 0.269 4.718 4.740 -0.485 0.000 0.228 213 N C 0.845 176.162 175.510 -0.322 0.000 1.212 213 N CA -0.261 52.669 53.050 -0.201 0.000 0.883 213 N CB 0.712 39.116 38.487 -0.138 0.000 1.107 213 N HN 0.515 nan 8.380 nan 0.000 0.519 214 G N -0.042 108.514 108.800 -0.408 0.000 3.337 214 G HA2 0.140 3.809 3.960 -0.485 0.000 0.246 214 G HA3 0.140 3.809 3.960 -0.485 0.000 0.246 214 G C -0.537 174.311 174.900 -0.085 0.000 1.131 214 G CA -0.336 44.601 45.100 -0.271 0.000 0.773 214 G HN 0.168 nan 8.290 nan 0.000 0.544 215 F N 2.135 122.129 119.950 0.072 0.000 2.652 215 F HA 0.554 4.790 4.527 -0.484 0.000 0.352 215 F C 1.108 176.956 175.800 0.080 0.000 1.259 215 F CA -0.330 57.704 58.000 0.056 0.000 1.249 215 F CB 0.324 39.334 39.000 0.015 0.000 1.628 215 F HN 0.217 nan 8.300 nan 0.000 0.654 216 G N 0.608 109.574 108.800 0.276 0.000 2.455 216 G HA2 0.398 4.067 3.960 -0.485 0.000 0.223 216 G HA3 0.398 4.067 3.960 -0.485 0.000 0.223 216 G C -1.223 173.723 174.900 0.077 0.000 1.226 216 G CA -0.266 44.945 45.100 0.185 0.000 0.948 216 G HN 0.393 nan 8.290 nan 0.000 0.478 217 A N 1.141 123.882 122.820 -0.131 0.000 3.037 217 A HA 0.654 4.683 4.320 -0.485 0.000 0.272 217 A C 0.061 177.226 177.584 -0.697 0.000 1.723 217 A CA 0.089 51.930 52.037 -0.326 0.000 1.413 217 A CB -1.101 17.743 19.000 -0.260 0.000 1.112 217 A HN 0.637 nan 8.150 nan 0.000 0.606 218 H N -0.241 118.811 119.070 -0.030 0.000 3.008 218 H HA 0.222 4.488 4.556 -0.484 0.000 0.354 218 H C -2.230 173.078 175.328 -0.033 0.000 1.252 218 H CA -1.614 54.419 56.048 -0.024 0.000 1.117 218 H CB 1.218 30.968 29.762 -0.021 0.000 1.857 218 H HN 0.070 nan 8.280 nan 0.000 0.547 219 P HA -0.185 nan 4.420 nan 0.000 0.215 219 P C 1.350 178.668 177.300 0.030 0.000 1.163 219 P CA 2.182 65.321 63.100 0.066 0.000 0.894 219 P CB -0.061 31.708 31.700 0.115 0.000 0.791 220 T N -0.941 113.633 114.554 0.033 0.000 2.635 220 T HA -0.157 3.902 4.350 -0.485 0.000 0.267 220 T C 1.996 176.719 174.700 0.039 0.000 1.040 220 T CA 2.002 64.094 62.100 -0.013 0.000 1.156 220 T CB -1.394 67.415 68.868 -0.098 0.000 0.863 220 T HN 0.239 nan 8.240 nan 0.000 0.430 221 G N 1.013 109.869 108.800 0.094 0.000 2.422 221 G HA2 -0.143 3.526 3.960 -0.485 0.000 0.218 221 G HA3 -0.143 3.526 3.960 -0.485 0.000 0.218 221 G C 1.472 176.393 174.900 0.035 0.000 1.146 221 G CA 0.551 45.747 45.100 0.161 0.000 0.769 221 G HN 0.395 nan 8.290 nan 0.000 0.547 222 L N 0.145 121.344 121.223 -0.039 0.000 2.217 222 L HA 0.254 4.303 4.340 -0.485 0.000 0.211 222 L C 2.462 179.248 176.870 -0.140 0.000 1.107 222 L CA 1.097 55.858 54.840 -0.131 0.000 0.783 222 L CB -0.189 41.756 42.059 -0.189 0.000 0.919 222 L HN 0.199 nan 8.230 nan 0.000 0.442 223 L N -1.649 119.498 121.223 -0.127 0.000 2.416 223 L HA 0.012 4.061 4.340 -0.485 0.000 0.216 223 L C 1.926 178.632 176.870 -0.274 0.000 1.098 223 L CA 1.099 55.818 54.840 -0.202 0.000 0.840 223 L CB -0.518 41.417 42.059 -0.207 0.000 0.981 223 L HN 0.370 nan 8.230 nan 0.000 0.462 224 T N -5.032 109.409 114.554 -0.190 0.000 3.022 224 T HA 0.026 4.084 4.350 -0.485 0.000 0.250 224 T C 1.633 176.250 174.700 -0.139 0.000 1.060 224 T CA 0.330 62.277 62.100 -0.255 0.000 1.013 224 T CB 0.183 69.023 68.868 -0.045 0.000 0.982 224 T HN 0.018 nan 8.240 nan 0.000 0.508 225 V N 1.982 121.862 119.914 -0.057 0.000 2.295 225 V HA 0.015 3.843 4.120 -0.485 0.000 0.246 225 V C 2.833 178.891 176.094 -0.060 0.000 1.049 225 V CA 2.210 64.511 62.300 0.002 0.000 1.024 225 V CB -1.055 30.748 31.823 -0.034 0.000 0.648 225 V HN 0.627 nan 8.190 nan 0.000 0.447 226 A N -0.724 122.004 122.820 -0.154 0.000 2.016 226 A HA -0.010 4.019 4.320 -0.485 0.000 0.217 226 A C 2.019 179.483 177.584 -0.200 0.000 1.162 226 A CA 1.449 53.389 52.037 -0.163 0.000 0.662 226 A CB -0.537 18.341 19.000 -0.203 0.000 0.812 226 A HN 0.560 nan 8.150 nan 0.000 0.450 227 L N -1.111 119.920 121.223 -0.320 0.000 1.994 227 L HA -0.067 3.982 4.340 -0.485 0.000 0.208 227 L C 2.072 178.735 176.870 -0.345 0.000 1.071 227 L CA 2.062 56.647 54.840 -0.425 0.000 0.745 227 L CB -1.005 40.635 42.059 -0.700 0.000 0.892 227 L HN 0.345 nan 8.230 nan 0.000 0.431 228 F N 0.336 120.165 119.950 -0.201 0.000 2.186 228 F HA -0.125 4.111 4.527 -0.486 0.000 0.299 228 F C 2.467 178.194 175.800 -0.122 0.000 1.090 228 F CA 1.371 59.265 58.000 -0.176 0.000 1.307 228 F CB -0.671 38.190 39.000 -0.232 0.000 1.019 228 F HN 0.213 nan 8.300 nan 0.000 0.489 229 E N 0.118 120.349 120.200 0.052 0.000 2.058 229 E HA -0.251 3.808 4.350 -0.485 0.000 0.194 229 E C 2.440 179.037 176.600 -0.006 0.000 0.997 229 E CA 1.297 57.697 56.400 0.001 0.000 0.801 229 E CB -0.370 29.312 29.700 -0.030 0.000 0.746 229 E HN 0.355 nan 8.360 nan 0.000 0.450 230 A N 0.899 123.700 122.820 -0.032 0.000 1.902 230 A HA -0.174 3.854 4.320 -0.485 0.000 0.217 230 A C 2.194 179.791 177.584 0.022 0.000 1.181 230 A CA 1.141 53.169 52.037 -0.016 0.000 0.623 230 A CB -0.683 18.296 19.000 -0.034 0.000 0.818 230 A HN 0.150 nan 8.150 nan 0.000 0.443 231 L N -0.907 120.335 121.223 0.031 0.000 2.046 231 L HA -0.263 3.786 4.340 -0.485 0.000 0.208 231 L C 2.908 179.830 176.870 0.086 0.000 1.077 231 L CA 1.848 56.740 54.840 0.088 0.000 0.747 231 L CB -0.545 41.596 42.059 0.137 0.000 0.896 231 L HN 0.580 nan 8.230 nan 0.000 0.432 232 Q N 0.187 120.028 119.800 0.069 0.000 2.096 232 Q HA -0.279 3.770 4.340 -0.485 0.000 0.204 232 Q C 2.359 178.381 176.000 0.036 0.000 0.982 232 Q CA 1.834 57.664 55.803 0.044 0.000 0.850 232 Q CB 0.062 28.810 28.738 0.016 0.000 0.901 232 Q HN 0.341 nan 8.270 nan 0.000 0.422 233 R N -0.553 119.966 120.500 0.031 0.000 2.062 233 R HA -0.019 4.030 4.340 -0.485 0.000 0.226 233 R C 2.104 178.428 176.300 0.040 0.000 1.125 233 R CA 1.316 57.433 56.100 0.027 0.000 0.966 233 R CB 0.185 30.495 30.300 0.017 0.000 0.861 233 R HN 0.124 nan 8.270 nan 0.000 0.433 234 R N -1.050 119.481 120.500 0.051 0.000 2.225 234 R HA 0.146 4.195 4.340 -0.485 0.000 0.194 234 R C 0.236 176.580 176.300 0.073 0.000 0.957 234 R CA 0.234 56.370 56.100 0.061 0.000 1.042 234 R CB 0.583 30.923 30.300 0.066 0.000 1.004 234 R HN 0.108 nan 8.270 nan 0.000 0.509 235 Q N 1.354 121.205 119.800 0.085 0.000 2.842 235 Q HA 0.175 4.224 4.340 -0.485 0.000 0.323 235 Q C -2.028 174.027 176.000 0.091 0.000 1.111 235 Q CA -1.504 54.356 55.803 0.096 0.000 1.047 235 Q CB 1.434 30.243 28.738 0.118 0.000 1.280 235 Q HN 0.171 nan 8.270 nan 0.000 0.475 236 P HA -0.056 nan 4.420 nan 0.000 0.239 236 P C 0.029 177.382 177.300 0.087 0.000 1.184 236 P CA 0.666 63.809 63.100 0.072 0.000 0.760 236 P CB 0.556 32.292 31.700 0.061 0.000 0.884 237 D N -0.447 120.017 120.400 0.107 0.000 2.339 237 D HA 0.148 4.497 4.640 -0.485 0.000 0.217 237 D C 0.508 176.876 176.300 0.112 0.000 1.050 237 D CA 0.321 54.405 54.000 0.141 0.000 0.856 237 D CB 0.204 41.123 40.800 0.199 0.000 0.922 237 D HN 0.268 nan 8.370 nan 0.000 0.518 238 L N 1.200 122.476 121.223 0.089 0.000 2.319 238 L HA 0.320 4.369 4.340 -0.485 0.000 0.281 238 L C 0.076 177.005 176.870 0.098 0.000 1.005 238 L CA -0.523 54.360 54.840 0.071 0.000 0.828 238 L CB 2.199 44.314 42.059 0.093 0.000 1.227 238 L HN -0.296 nan 8.230 nan 0.000 0.415 239 Q N 4.152 124.013 119.800 0.103 0.000 2.377 239 Q HA 0.357 4.406 4.340 -0.485 0.000 0.249 239 Q C -0.832 175.280 176.000 0.187 0.000 1.005 239 Q CA -0.588 55.287 55.803 0.120 0.000 0.912 239 Q CB 0.964 29.802 28.738 0.166 0.000 1.223 239 Q HN 0.488 nan 8.270 nan 0.000 0.459 240 M N 3.660 123.311 119.600 0.085 0.000 2.188 240 M HA 0.311 4.500 4.480 -0.485 0.000 0.357 240 M C -0.662 175.579 176.300 -0.098 0.000 1.204 240 M CA -0.076 55.313 55.300 0.149 0.000 1.095 240 M CB 0.998 33.681 32.600 0.137 0.000 1.604 240 M HN 0.542 nan 8.290 nan 0.000 0.464 241 H N 3.615 122.747 119.070 0.103 0.000 2.609 241 H HA 0.482 4.746 4.556 -0.486 0.000 0.344 241 H C -1.272 174.018 175.328 -0.063 0.000 1.040 241 H CA -0.768 55.247 56.048 -0.054 0.000 1.216 241 H CB 2.145 31.909 29.762 0.003 0.000 1.529 241 H HN 0.393 nan 8.280 nan 0.000 0.519 242 L N 3.680 124.746 121.223 -0.263 0.000 2.322 242 L HA 0.309 4.358 4.340 -0.485 0.000 0.281 242 L C -0.642 176.091 176.870 -0.227 0.000 1.014 242 L CA -0.286 54.377 54.840 -0.295 0.000 0.815 242 L CB 0.819 42.353 42.059 -0.876 0.000 1.247 242 L HN 0.457 nan 8.230 nan 0.000 0.421 243 F N 2.655 122.821 119.950 0.361 0.000 2.359 243 F HA 0.600 4.835 4.527 -0.486 0.000 0.369 243 F C 0.534 176.585 175.800 0.420 0.000 1.084 243 F CA -0.710 57.506 58.000 0.360 0.000 1.096 243 F CB 1.151 40.315 39.000 0.274 0.000 1.335 243 F HN 0.509 nan 8.300 nan 0.000 0.457 244 A N 1.573 124.661 122.820 0.447 0.000 2.347 244 A HA 0.428 4.456 4.320 -0.485 0.000 0.287 244 A C 1.050 178.789 177.584 0.258 0.000 1.199 244 A CA -0.208 52.083 52.037 0.423 0.000 0.851 244 A CB -0.058 19.127 19.000 0.308 0.000 1.118 244 A HN 0.777 nan 8.150 nan 0.000 0.525 245 T N -0.498 114.172 114.554 0.194 0.000 3.144 245 T HA 0.263 4.322 4.350 -0.485 0.000 0.249 245 T C 0.580 175.313 174.700 0.054 0.000 1.089 245 T CA 0.418 62.584 62.100 0.109 0.000 0.989 245 T CB -0.658 68.262 68.868 0.087 0.000 0.992 245 T HN 0.978 nan 8.240 nan 0.000 0.540 246 S N -0.219 115.520 115.700 0.064 0.000 2.548 246 S HA 0.775 4.954 4.470 -0.485 0.000 0.286 246 S C 0.361 174.998 174.600 0.063 0.000 1.098 246 S CA -0.769 57.453 58.200 0.036 0.000 0.930 246 S CB 1.520 64.715 63.200 -0.008 0.000 1.070 246 S HN 0.390 nan 8.310 nan 0.000 0.480 247 G N 0.504 109.330 108.800 0.044 0.000 2.684 247 G HA2 0.304 3.973 3.960 -0.485 0.000 0.255 247 G HA3 0.304 3.973 3.960 -0.485 0.000 0.255 247 G C -0.482 174.450 174.900 0.053 0.000 1.219 247 G CA -0.386 44.739 45.100 0.041 0.000 0.901 247 G HN 0.805 nan 8.290 nan 0.000 0.548 248 D N -0.490 119.933 120.400 0.038 0.000 2.383 248 D HA 0.071 4.420 4.640 -0.485 0.000 0.252 248 D C 0.677 177.002 176.300 0.041 0.000 1.166 248 D CA -0.344 53.679 54.000 0.038 0.000 0.879 248 D CB 1.273 42.083 40.800 0.016 0.000 1.164 248 D HN 0.358 nan 8.370 nan 0.000 0.462 249 D N 1.940 122.372 120.400 0.053 0.000 2.369 249 D HA 0.173 4.522 4.640 -0.485 0.000 0.211 249 D C 1.348 177.663 176.300 0.026 0.000 1.077 249 D CA 0.292 54.321 54.000 0.048 0.000 0.842 249 D CB 0.047 40.891 40.800 0.074 0.000 0.947 249 D HN 0.540 nan 8.370 nan 0.000 0.509 250 G N 0.249 109.060 108.800 0.019 0.000 2.141 250 G HA2 -0.271 3.398 3.960 -0.485 0.000 0.242 250 G HA3 -0.271 3.398 3.960 -0.485 0.000 0.242 250 G C 0.367 175.270 174.900 0.005 0.000 0.982 250 G CA 0.357 45.462 45.100 0.009 0.000 0.662 250 G HN 0.820 nan 8.290 nan 0.000 0.527 251 S N -0.528 115.175 115.700 0.006 0.000 2.617 251 S HA 0.590 4.769 4.470 -0.485 0.000 0.269 251 S C 1.749 176.348 174.600 -0.003 0.000 1.292 251 S CA 0.812 59.011 58.200 -0.001 0.000 1.010 251 S CB 1.463 64.656 63.200 -0.011 0.000 0.944 251 S HN 1.240 nan 8.310 nan 0.000 0.536 252 T N 0.359 114.910 114.554 -0.004 0.000 2.833 252 T HA -0.101 3.957 4.350 -0.485 0.000 0.269 252 T C 1.727 176.418 174.700 -0.016 0.000 1.054 252 T CA 1.266 63.361 62.100 -0.009 0.000 1.135 252 T CB -0.894 67.972 68.868 -0.003 0.000 0.869 252 T HN 0.532 nan 8.240 nan 0.000 0.466 253 L N 0.604 121.817 121.223 -0.016 0.000 1.989 253 L HA -0.022 4.026 4.340 -0.485 0.000 0.211 253 L C 3.082 179.949 176.870 -0.005 0.000 1.071 253 L CA 1.575 56.406 54.840 -0.015 0.000 0.749 253 L CB -0.640 41.410 42.059 -0.016 0.000 0.890 253 L HN 0.179 nan 8.230 nan 0.000 0.431 254 R N 0.224 120.731 120.500 0.012 0.000 2.096 254 R HA -0.158 3.891 4.340 -0.485 0.000 0.240 254 R C 2.221 178.501 176.300 -0.033 0.000 1.139 254 R CA 2.430 58.537 56.100 0.012 0.000 0.952 254 R CB -1.124 29.195 30.300 0.032 0.000 0.854 254 R HN 0.278 nan 8.270 nan 0.000 0.436 255 T N 0.398 114.934 114.554 -0.031 0.000 2.708 255 T HA -0.102 3.957 4.350 -0.485 0.000 0.266 255 T C 1.869 176.532 174.700 -0.062 0.000 1.037 255 T CA 1.705 63.777 62.100 -0.046 0.000 1.146 255 T CB -0.218 68.631 68.868 -0.032 0.000 0.865 255 T HN 0.313 nan 8.240 nan 0.000 0.435 256 R N 0.373 120.841 120.500 -0.053 0.000 2.091 256 R HA 0.021 4.069 4.340 -0.485 0.000 0.238 256 R C 2.476 178.724 176.300 -0.088 0.000 1.136 256 R CA 1.130 57.195 56.100 -0.059 0.000 0.959 256 R CB -0.521 29.752 30.300 -0.045 0.000 0.856 256 R HN 0.357 nan 8.270 nan 0.000 0.437 257 L N -0.259 120.901 121.223 -0.106 0.000 2.141 257 L HA -0.123 3.926 4.340 -0.485 0.000 0.209 257 L C 2.508 179.217 176.870 -0.268 0.000 1.094 257 L CA 1.073 55.795 54.840 -0.196 0.000 0.763 257 L CB -0.393 41.541 42.059 -0.209 0.000 0.908 257 L HN 0.264 nan 8.230 nan 0.000 0.437 258 A N -0.898 121.801 122.820 -0.202 0.000 2.016 258 A HA -0.196 3.832 4.320 -0.485 0.000 0.217 258 A C 2.170 179.642 177.584 -0.187 0.000 1.162 258 A CA 1.090 52.999 52.037 -0.213 0.000 0.662 258 A CB -0.254 18.654 19.000 -0.154 0.000 0.812 258 A HN 0.349 nan 8.150 nan 0.000 0.450 259 Q N -0.539 119.175 119.800 -0.144 0.000 2.230 259 Q HA 0.142 4.191 4.340 -0.485 0.000 0.202 259 Q C 1.697 177.624 176.000 -0.120 0.000 0.963 259 Q CA 1.444 57.178 55.803 -0.114 0.000 0.866 259 Q CB -0.275 28.414 28.738 -0.081 0.000 0.931 259 Q HN 0.563 nan 8.270 nan 0.000 0.452 260 A N -0.903 121.832 122.820 -0.142 0.000 2.308 260 A HA 0.365 4.394 4.320 -0.485 0.000 0.217 260 A C 0.481 177.964 177.584 -0.168 0.000 1.216 260 A CA 0.468 52.435 52.037 -0.116 0.000 0.864 260 A CB 0.133 19.095 19.000 -0.064 0.000 0.902 260 A HN 0.354 nan 8.150 nan 0.000 0.499 261 S N -2.108 113.437 115.700 -0.257 0.000 2.790 261 S HA 0.550 4.729 4.470 -0.485 0.000 0.292 261 S C -0.597 173.783 174.600 -0.367 0.000 1.197 261 S CA -0.403 57.600 58.200 -0.328 0.000 0.851 261 S CB 0.784 63.696 63.200 -0.479 0.000 1.217 261 S HN 0.030 nan 8.310 nan 0.000 0.526 262 T N 1.810 116.070 114.554 -0.491 0.000 2.743 262 T HA 0.560 4.619 4.350 -0.485 0.000 0.292 262 T C -0.690 173.604 174.700 -0.678 0.000 0.972 262 T CA -0.334 61.420 62.100 -0.577 0.000 0.967 262 T CB 0.393 68.833 68.868 -0.714 0.000 0.926 262 T HN 0.581 nan 8.240 nan 0.000 0.459 263 L N 5.307 126.169 121.223 -0.601 0.000 2.298 263 L HA 0.427 4.476 4.340 -0.485 0.000 0.284 263 L C -0.434 176.142 176.870 -0.490 0.000 1.013 263 L CA -0.697 53.836 54.840 -0.513 0.000 0.824 263 L CB 0.455 42.293 42.059 -0.368 0.000 1.221 263 L HN 0.675 nan 8.230 nan 0.000 0.418 264 H N 3.466 122.377 119.070 -0.265 0.000 2.552 264 H HA 0.173 4.438 4.556 -0.486 0.000 0.311 264 H C -1.038 174.289 175.328 -0.001 0.000 1.071 264 H CA -0.740 55.252 56.048 -0.094 0.000 1.307 264 H CB 1.757 31.519 29.762 0.001 0.000 1.416 264 H HN 0.540 nan 8.280 nan 0.000 0.464 265 D N 3.958 124.414 120.400 0.093 0.000 2.352 265 D HA 0.038 4.387 4.640 -0.485 0.000 0.245 265 D C 0.930 177.276 176.300 0.076 0.000 1.224 265 D CA -0.220 53.830 54.000 0.082 0.000 0.879 265 D CB 0.925 41.745 40.800 0.033 0.000 1.057 265 D HN 0.447 nan 8.370 nan 0.000 0.491 266 V N 1.105 121.091 119.914 0.121 0.000 3.427 266 V HA 0.201 4.030 4.120 -0.485 0.000 0.305 266 V C 0.747 176.865 176.094 0.040 0.000 1.412 266 V CA -0.437 61.905 62.300 0.071 0.000 1.086 266 V CB -0.562 31.354 31.823 0.154 0.000 0.964 266 V HN 0.356 nan 8.190 nan 0.000 0.439 267 T N 2.625 117.205 114.554 0.043 0.000 2.923 267 T HA 0.311 4.369 4.350 -0.485 0.000 0.304 267 T C 1.087 175.775 174.700 -0.020 0.000 1.044 267 T CA 0.979 63.087 62.100 0.013 0.000 1.141 267 T CB 0.324 69.200 68.868 0.014 0.000 1.023 267 T HN 1.898 nan 8.240 nan 0.000 0.533 268 A N 2.609 125.405 122.820 -0.040 0.000 2.640 268 A HA -0.136 3.892 4.320 -0.485 0.000 0.300 268 A C 0.191 177.735 177.584 -0.066 0.000 1.499 268 A CA 0.429 52.429 52.037 -0.062 0.000 0.759 268 A CB -1.992 16.974 19.000 -0.056 0.000 1.048 268 A HN 0.730 nan 8.150 nan 0.000 0.450 269 L N -0.358 120.823 121.223 -0.071 0.000 2.365 269 L HA 0.657 4.705 4.340 -0.485 0.000 0.273 269 L C 1.146 177.946 176.870 -0.116 0.000 1.000 269 L CA -0.412 54.381 54.840 -0.079 0.000 0.819 269 L CB 2.040 44.061 42.059 -0.064 0.000 1.284 269 L HN 0.620 nan 8.230 nan 0.000 0.418 270 G N 0.148 108.873 108.800 -0.124 0.000 2.554 270 G HA2 0.028 3.697 3.960 -0.485 0.000 0.238 270 G HA3 0.028 3.697 3.960 -0.485 0.000 0.238 270 G C 0.601 175.418 174.900 -0.139 0.000 1.259 270 G CA 0.039 45.030 45.100 -0.181 0.000 0.843 270 G HN 0.898 nan 8.290 nan 0.000 0.582 271 H N 0.353 119.390 119.070 -0.055 0.000 2.267 271 H HA -0.215 4.047 4.556 -0.489 0.000 0.291 271 H C 2.459 177.730 175.328 -0.094 0.000 1.094 271 H CA 1.734 57.735 56.048 -0.079 0.000 1.227 271 H CB -0.062 29.651 29.762 -0.081 0.000 1.351 271 H HN 0.330 nan 8.280 nan 0.000 0.483 272 L N 0.862 122.116 121.223 0.051 0.000 1.990 272 L HA -0.208 3.840 4.340 -0.485 0.000 0.213 272 L C 2.505 179.357 176.870 -0.030 0.000 1.072 272 L CA 2.029 56.863 54.840 -0.011 0.000 0.755 272 L CB -1.081 40.971 42.059 -0.013 0.000 0.889 272 L HN 0.324 nan 8.230 nan 0.000 0.432 273 A N -2.091 120.711 122.820 -0.030 0.000 1.978 273 A HA -0.204 3.825 4.320 -0.485 0.000 0.220 273 A C 2.212 179.791 177.584 -0.009 0.000 1.170 273 A CA 2.253 54.274 52.037 -0.027 0.000 0.636 273 A CB -1.100 17.876 19.000 -0.039 0.000 0.810 273 A HN 0.568 nan 8.150 nan 0.000 0.448 274 T N 0.172 114.711 114.554 -0.025 0.000 2.770 274 T HA 0.061 4.120 4.350 -0.485 0.000 0.263 274 T C 2.273 176.916 174.700 -0.095 0.000 1.039 274 T CA 1.378 63.464 62.100 -0.024 0.000 1.142 274 T CB -0.459 68.387 68.868 -0.037 0.000 0.868 274 T HN 0.587 nan 8.240 nan 0.000 0.435 275 A N 2.014 124.755 122.820 -0.132 0.000 1.883 275 A HA -0.143 3.886 4.320 -0.485 0.000 0.217 275 A C 2.268 179.766 177.584 -0.144 0.000 1.186 275 A CA 1.571 53.490 52.037 -0.196 0.000 0.624 275 A CB -0.482 18.410 19.000 -0.179 0.000 0.822 275 A HN 0.423 nan 8.150 nan 0.000 0.444 276 K N -1.682 118.675 120.400 -0.073 0.000 2.147 276 K HA -0.190 3.839 4.320 -0.485 0.000 0.205 276 K C 2.026 178.627 176.600 0.003 0.000 1.049 276 K CA 1.621 57.887 56.287 -0.035 0.000 0.936 276 K CB -0.253 32.238 32.500 -0.016 0.000 0.722 276 K HN 0.767 nan 8.250 nan 0.000 0.446 277 H N 0.770 119.795 119.070 -0.075 0.000 2.403 277 H HA 0.074 4.339 4.556 -0.485 0.000 0.298 277 H C 1.787 177.113 175.328 -0.003 0.000 1.059 277 H CA 1.156 57.192 56.048 -0.020 0.000 1.363 277 H CB 0.050 29.823 29.762 0.019 0.000 1.410 277 H HN 0.036 nan 8.280 nan 0.000 0.528 278 I N 0.047 120.455 120.570 -0.269 0.000 2.163 278 I HA -0.269 3.610 4.170 -0.485 0.000 0.243 278 I C 2.615 178.569 176.117 -0.272 0.000 1.085 278 I CA 1.511 62.502 61.300 -0.515 0.000 1.347 278 I CB -0.225 37.342 38.000 -0.721 0.000 1.044 278 I HN 0.209 nan 8.210 nan 0.000 0.408 279 R N 0.465 120.843 120.500 -0.205 0.000 2.091 279 R HA -0.256 3.793 4.340 -0.485 0.000 0.238 279 R C 2.467 178.691 176.300 -0.127 0.000 1.136 279 R CA 1.751 57.764 56.100 -0.145 0.000 0.959 279 R CB -0.960 29.273 30.300 -0.112 0.000 0.856 279 R HN 0.419 nan 8.270 nan 0.000 0.437 280 H N -0.865 118.065 119.070 -0.232 0.000 2.489 280 H HA -0.129 4.136 4.556 -0.485 0.000 0.295 280 H C 0.590 175.691 175.328 -0.379 0.000 1.082 280 H CA 1.525 57.398 56.048 -0.292 0.000 1.295 280 H CB 0.156 29.717 29.762 -0.335 0.000 1.380 280 H HN 0.417 nan 8.280 nan 0.000 0.548 281 H N -0.923 118.041 119.070 -0.176 0.000 2.551 281 H HA 0.110 4.374 4.556 -0.486 0.000 0.271 281 H C 1.189 176.396 175.328 -0.202 0.000 0.984 281 H CA 0.644 56.578 56.048 -0.191 0.000 1.164 281 H CB 0.447 30.069 29.762 -0.233 0.000 1.437 281 H HN 0.547 nan 8.280 nan 0.000 0.550 282 G N 1.933 110.673 108.800 -0.100 0.000 2.249 282 G HA2 -0.267 3.402 3.960 -0.485 0.000 0.273 282 G HA3 -0.267 3.402 3.960 -0.485 0.000 0.273 282 G C 0.297 175.145 174.900 -0.086 0.000 1.036 282 G CA -0.032 45.011 45.100 -0.094 0.000 0.824 282 G HN 0.214 nan 8.290 nan 0.000 0.504 283 I N 0.768 121.280 120.570 -0.098 0.000 2.826 283 I HA 0.012 3.891 4.170 -0.485 0.000 0.295 283 I C 1.190 177.258 176.117 -0.082 0.000 1.213 283 I CA 0.273 61.523 61.300 -0.084 0.000 1.436 283 I CB 0.362 38.322 38.000 -0.066 0.000 1.348 283 I HN 0.218 nan 8.210 nan 0.000 0.570 284 D N 5.794 126.145 120.400 -0.082 0.000 2.269 284 D HA 0.117 4.466 4.640 -0.485 0.000 0.220 284 D C 0.417 176.650 176.300 -0.111 0.000 0.962 284 D CA 1.034 54.971 54.000 -0.104 0.000 0.884 284 D CB 0.489 41.194 40.800 -0.158 0.000 1.023 284 D HN 0.340 nan 8.370 nan 0.000 0.484 285 L N 1.606 122.775 121.223 -0.092 0.000 2.343 285 L HA 0.414 4.463 4.340 -0.485 0.000 0.278 285 L C -1.015 175.846 176.870 -0.015 0.000 0.996 285 L CA -0.822 53.964 54.840 -0.091 0.000 0.831 285 L CB 2.428 44.432 42.059 -0.091 0.000 1.232 285 L HN -0.135 nan 8.230 nan 0.000 0.413 286 L N 3.597 124.802 121.223 -0.029 0.000 2.298 286 L HA 0.557 4.606 4.340 -0.485 0.000 0.284 286 L C -0.976 175.984 176.870 0.149 0.000 1.013 286 L CA 0.117 55.007 54.840 0.084 0.000 0.824 286 L CB 0.937 43.015 42.059 0.032 0.000 1.221 286 L HN 0.238 nan 8.230 nan 0.000 0.418 287 F N 2.921 122.925 119.950 0.090 0.000 2.404 287 F HA 0.280 4.515 4.527 -0.486 0.000 0.345 287 F C 0.348 176.410 175.800 0.435 0.000 1.110 287 F CA -0.405 57.743 58.000 0.246 0.000 1.130 287 F CB 1.202 40.333 39.000 0.219 0.000 1.129 287 F HN 0.487 nan 8.300 nan 0.000 0.500 288 D N 5.015 125.630 120.400 0.358 0.000 2.396 288 D HA 0.230 4.579 4.640 -0.485 0.000 0.225 288 D C -0.461 175.984 176.300 0.242 0.000 1.121 288 D CA -0.128 53.923 54.000 0.085 0.000 0.853 288 D CB 0.450 40.732 40.800 -0.864 0.000 1.043 288 D HN 0.460 nan 8.370 nan 0.000 0.500 289 L N 4.316 125.740 121.223 0.335 0.000 3.048 289 L HA 0.398 4.447 4.340 -0.485 0.000 0.234 289 L C 1.547 178.476 176.870 0.099 0.000 1.318 289 L CA -0.347 54.636 54.840 0.239 0.000 1.109 289 L CB 0.105 42.333 42.059 0.281 0.000 1.480 289 L HN 0.286 nan 8.230 nan 0.000 0.495 290 R N -0.039 120.505 120.500 0.073 0.000 2.064 290 R HA 0.211 4.260 4.340 -0.485 0.000 0.210 290 R C 1.815 178.145 176.300 0.050 0.000 1.221 290 R CA 0.921 57.039 56.100 0.030 0.000 1.055 290 R CB 0.014 30.320 30.300 0.011 0.000 0.946 290 R HN 0.445 nan 8.270 nan 0.000 0.459 291 G N -0.933 107.933 108.800 0.110 0.000 2.495 291 G HA2 -0.093 3.576 3.960 -0.485 0.000 0.219 291 G HA3 -0.093 3.576 3.960 -0.485 0.000 0.219 291 G C 0.372 175.176 174.900 -0.160 0.000 1.875 291 G CA -0.398 44.701 45.100 -0.002 0.000 0.757 291 G HN 0.289 nan 8.290 nan 0.000 0.682 292 W N 2.395 123.607 121.300 -0.146 0.000 3.180 292 W HA 0.397 4.763 4.660 -0.490 0.000 0.254 292 W C 1.713 178.243 176.519 0.018 0.000 1.318 292 W CA -0.320 56.937 57.345 -0.148 0.000 1.608 292 W CB 0.240 29.459 29.460 -0.401 0.000 1.124 292 W HN 0.375 nan 8.180 nan 0.000 0.694 293 G N 0.542 109.451 108.800 0.182 0.000 2.583 293 G HA2 0.325 3.994 3.960 -0.485 0.000 0.275 293 G HA3 0.325 3.994 3.960 -0.485 0.000 0.275 293 G C 0.379 175.253 174.900 -0.043 0.000 1.342 293 G CA -0.361 44.657 45.100 -0.137 0.000 1.030 293 G HN 0.090 nan 8.290 nan 0.000 0.520 294 G N -2.382 106.348 108.800 -0.117 0.000 2.491 294 G HA2 0.513 4.181 3.960 -0.485 0.000 0.242 294 G HA3 0.513 4.181 3.960 -0.485 0.000 0.242 294 G C 1.205 176.090 174.900 -0.026 0.000 1.266 294 G CA 0.673 45.759 45.100 -0.024 0.000 0.844 294 G HN 1.964 nan 8.290 nan 0.000 0.571 295 G N 0.222 109.028 108.800 0.010 0.000 2.155 295 G HA2 -0.090 3.579 3.960 -0.485 0.000 0.257 295 G HA3 -0.090 3.579 3.960 -0.485 0.000 0.257 295 G C 1.399 176.314 174.900 0.025 0.000 0.983 295 G CA 1.033 46.135 45.100 0.004 0.000 0.676 295 G HN 1.569 nan 8.290 nan 0.000 0.528 296 G N 0.317 109.141 108.800 0.041 0.000 2.806 296 G HA2 0.024 3.693 3.960 -0.485 0.000 0.214 296 G HA3 0.024 3.693 3.960 -0.485 0.000 0.214 296 G C 0.898 175.839 174.900 0.069 0.000 1.331 296 G CA 1.088 46.212 45.100 0.041 0.000 0.807 296 G HN 1.504 nan 8.290 nan 0.000 0.644 297 R N -0.808 119.742 120.500 0.085 0.000 3.157 297 R HA -0.125 3.923 4.340 -0.485 0.000 0.259 297 R C -1.890 174.397 176.300 -0.022 0.000 1.018 297 R CA 0.402 56.554 56.100 0.086 0.000 0.678 297 R CB -1.546 28.873 30.300 0.198 0.000 1.225 297 R HN 0.424 nan 8.270 nan 0.000 0.408 298 P HA -0.198 nan 4.420 nan 0.000 0.217 298 P C 1.120 178.182 177.300 -0.397 0.000 1.151 298 P CA 1.291 64.255 63.100 -0.227 0.000 0.828 298 P CB 0.028 31.535 31.700 -0.322 0.000 0.788 299 E N 0.393 120.324 120.200 -0.449 0.000 2.333 299 E HA -0.106 3.953 4.350 -0.485 0.000 0.200 299 E C 1.914 178.234 176.600 -0.467 0.000 1.010 299 E CA 0.885 56.959 56.400 -0.544 0.000 0.841 299 E CB -1.627 27.730 29.700 -0.573 0.000 0.757 299 E HN 0.134 nan 8.360 nan 0.000 0.508 300 V N 0.333 120.047 119.914 -0.334 0.000 2.427 300 V HA -0.187 3.642 4.120 -0.485 0.000 0.248 300 V C 1.992 177.833 176.094 -0.421 0.000 1.051 300 V CA 1.580 63.719 62.300 -0.268 0.000 1.048 300 V CB -0.648 31.076 31.823 -0.165 0.000 0.666 300 V HN 0.104 nan 8.190 nan 0.000 0.456 301 F N 0.400 120.073 119.950 -0.461 0.000 2.367 301 F HA 0.069 4.303 4.527 -0.488 0.000 0.298 301 F C 2.326 177.637 175.800 -0.815 0.000 1.094 301 F CA 0.975 58.671 58.000 -0.506 0.000 1.409 301 F CB -0.522 38.255 39.000 -0.371 0.000 1.064 301 F HN 0.085 nan 8.300 nan 0.000 0.528 302 A N -0.129 122.065 122.820 -1.043 0.000 2.067 302 A HA -0.073 3.956 4.320 -0.485 0.000 0.219 302 A C 1.917 179.269 177.584 -0.387 0.000 1.158 302 A CA 0.988 52.402 52.037 -1.038 0.000 0.661 302 A CB -0.973 17.355 19.000 -1.119 0.000 0.801 302 A HN 0.395 nan 8.150 nan 0.000 0.452 303 L N -0.432 120.592 121.223 -0.332 0.000 2.650 303 L HA 0.029 4.078 4.340 -0.485 0.000 0.235 303 L C 0.318 177.098 176.870 -0.150 0.000 1.149 303 L CA -0.202 54.519 54.840 -0.199 0.000 0.887 303 L CB -0.366 41.579 42.059 -0.190 0.000 1.021 303 L HN 0.319 nan 8.230 nan 0.000 0.441 304 R N -0.812 119.606 120.500 -0.138 0.000 3.034 304 R HA -0.180 3.869 4.340 -0.485 0.000 0.237 304 R C -1.655 174.573 176.300 -0.120 0.000 0.861 304 R CA 0.267 56.321 56.100 -0.076 0.000 0.588 304 R CB -1.394 28.910 30.300 0.007 0.000 1.035 304 R HN 0.325 nan 8.270 nan 0.000 0.488 305 P HA -0.105 nan 4.420 nan 0.000 0.222 305 P C 0.253 177.447 177.300 -0.176 0.000 1.147 305 P CA 1.608 64.581 63.100 -0.212 0.000 0.790 305 P CB 0.391 31.897 31.700 -0.324 0.000 0.780 306 A N 0.149 122.878 122.820 -0.153 0.000 2.380 306 A HA 0.577 4.606 4.320 -0.485 0.000 0.315 306 A C -1.948 175.599 177.584 -0.061 0.000 1.101 306 A CA -1.708 50.263 52.037 -0.110 0.000 0.771 306 A CB 1.086 20.017 19.000 -0.115 0.000 1.287 306 A HN -0.169 nan 8.150 nan 0.000 0.436 307 P HA 0.032 nan 4.420 nan 0.000 0.225 307 P C 0.001 177.275 177.300 -0.043 0.000 1.156 307 P CA 0.908 63.992 63.100 -0.026 0.000 0.787 307 P CB 0.187 31.878 31.700 -0.015 0.000 0.802 308 V N 0.814 120.674 119.914 -0.089 0.000 2.569 308 V HA 0.274 4.103 4.120 -0.485 0.000 0.301 308 V C -0.402 175.653 176.094 -0.066 0.000 1.044 308 V CA -0.539 61.686 62.300 -0.125 0.000 0.874 308 V CB 2.119 33.758 31.823 -0.306 0.000 1.002 308 V HN -0.056 nan 8.190 nan 0.000 0.424 309 Q N 3.274 123.079 119.800 0.009 0.000 2.340 309 Q HA 0.802 4.851 4.340 -0.485 0.000 0.268 309 Q C -1.378 174.609 176.000 -0.021 0.000 1.031 309 Q CA -0.703 55.135 55.803 0.058 0.000 0.804 309 Q CB 3.106 31.988 28.738 0.240 0.000 1.286 309 Q HN 0.574 nan 8.270 nan 0.000 0.448 310 V N 1.832 121.636 119.914 -0.184 0.000 2.735 310 V HA 0.403 4.232 4.120 -0.485 0.000 0.310 310 V C -0.647 175.387 176.094 -0.099 0.000 1.061 310 V CA -1.017 61.116 62.300 -0.278 0.000 0.913 310 V CB 2.118 33.410 31.823 -0.886 0.000 1.005 310 V HN 0.696 nan 8.190 nan 0.000 0.428 311 N N 2.504 121.240 118.700 0.060 0.000 2.424 311 N HA 0.463 4.912 4.740 -0.485 0.000 0.271 311 N C -1.596 174.172 175.510 0.430 0.000 0.985 311 N CA -0.411 52.739 53.050 0.166 0.000 0.921 311 N CB 1.452 39.995 38.487 0.094 0.000 1.149 311 N HN 0.759 nan 8.380 nan 0.000 0.492 312 W N 5.700 127.185 121.300 0.308 0.000 3.439 312 W HA 0.403 4.773 4.660 -0.485 0.000 0.323 312 W C 0.017 176.781 176.519 0.409 0.000 1.174 312 W CA -0.853 56.740 57.345 0.414 0.000 1.224 312 W CB 0.093 29.964 29.460 0.685 0.000 1.348 312 W HN 0.529 nan 8.180 nan 0.000 0.498 313 L N 3.641 124.875 121.223 0.018 0.000 4.977 313 L HA -0.375 3.674 4.340 -0.485 0.000 0.398 313 L C 1.170 178.086 176.870 0.077 0.000 0.818 313 L CA 3.522 58.270 54.840 -0.153 0.000 2.090 313 L CB -1.802 39.531 42.059 -1.211 0.000 1.320 313 L HN 0.811 nan 8.230 nan 0.000 0.615 314 A N -1.479 121.414 122.820 0.123 0.000 1.881 314 A HA 0.205 4.234 4.320 -0.485 0.000 0.210 314 A C 0.744 178.530 177.584 0.337 0.000 1.239 314 A CA 0.999 53.152 52.037 0.193 0.000 0.629 314 A CB -0.340 18.753 19.000 0.155 0.000 0.906 314 A HN 0.547 nan 8.150 nan 0.000 0.460 315 Y N 2.370 122.793 120.300 0.206 0.000 2.341 315 Y HA 0.450 4.709 4.550 -0.485 0.000 0.340 315 Y C -2.338 173.664 175.900 0.171 0.000 0.997 315 Y CA -2.833 55.422 58.100 0.260 0.000 1.149 315 Y CB 1.310 39.906 38.460 0.226 0.000 1.171 315 Y HN 0.123 nan 8.280 nan 0.000 0.494 316 P HA 0.305 nan 4.420 nan 0.000 0.220 316 P C -0.211 176.865 177.300 -0.374 0.000 1.806 316 P CA 0.470 63.489 63.100 -0.136 0.000 0.976 316 P CB 0.052 31.961 31.700 0.348 0.000 1.952 317 G N -0.700 107.877 108.800 -0.370 0.000 2.341 317 G HA2 0.239 3.908 3.960 -0.485 0.000 0.299 317 G HA3 0.239 3.908 3.960 -0.485 0.000 0.299 317 G C -1.413 173.533 174.900 0.078 0.000 1.274 317 G CA -0.413 44.594 45.100 -0.154 0.000 0.853 317 G HN 0.135 nan 8.290 nan 0.000 0.493 318 T N -0.548 113.858 114.554 -0.247 0.000 2.899 318 T HA 0.435 4.494 4.350 -0.485 0.000 0.295 318 T C 1.924 176.690 174.700 0.110 0.000 1.033 318 T CA 0.860 62.837 62.100 -0.204 0.000 1.084 318 T CB 0.859 69.436 68.868 -0.485 0.000 0.979 318 T HN 1.385 nan 8.240 nan 0.000 0.532 319 S N 2.502 118.227 115.700 0.042 0.000 2.436 319 S HA 0.197 4.376 4.470 -0.485 0.000 0.228 319 S C 1.999 176.651 174.600 0.086 0.000 1.014 319 S CA 0.854 59.053 58.200 -0.002 0.000 0.950 319 S CB -0.617 62.443 63.200 -0.234 0.000 0.784 319 S HN 1.596 nan 8.310 nan 0.000 0.504 320 G N 1.390 110.164 108.800 -0.043 0.000 2.328 320 G HA2 -0.228 3.441 3.960 -0.485 0.000 0.256 320 G HA3 -0.228 3.441 3.960 -0.485 0.000 0.256 320 G C 0.322 175.075 174.900 -0.246 0.000 1.014 320 G CA 0.188 45.231 45.100 -0.095 0.000 0.620 320 G HN 1.418 nan 8.290 nan 0.000 0.530 321 A N 1.157 123.700 122.820 -0.461 0.000 2.401 321 A HA 0.685 4.714 4.320 -0.485 0.000 0.259 321 A C -0.171 176.992 177.584 -0.700 0.000 1.103 321 A CA -0.409 51.040 52.037 -0.979 0.000 0.789 321 A CB 0.853 18.642 19.000 -2.017 0.000 1.035 321 A HN 0.170 nan 8.150 nan 0.000 0.491 322 P HA -0.063 nan 4.420 nan 0.000 0.231 322 P C 0.693 177.936 177.300 -0.096 0.000 1.168 322 P CA 0.865 63.833 63.100 -0.221 0.000 0.779 322 P CB -0.077 31.570 31.700 -0.088 0.000 0.844 323 W N -1.580 119.714 121.300 -0.010 0.000 3.180 323 W HA 0.484 4.853 4.660 -0.486 0.000 0.254 323 W C 0.187 176.702 176.519 -0.007 0.000 1.318 323 W CA -0.595 56.749 57.345 -0.002 0.000 1.608 323 W CB -1.069 28.401 29.460 0.017 0.000 1.124 323 W HN -0.254 nan 8.180 nan 0.000 0.694 324 M N 2.758 122.268 119.600 -0.150 0.000 2.072 324 M HA 0.220 4.409 4.480 -0.485 0.000 0.331 324 M C 0.714 176.946 176.300 -0.112 0.000 1.004 324 M CA -0.281 54.963 55.300 -0.092 0.000 0.952 324 M CB 0.843 33.313 32.600 -0.216 0.000 1.511 324 M HN -0.023 nan 8.290 nan 0.000 0.422 325 D N 3.401 123.746 120.400 -0.092 0.000 2.091 325 D HA -0.065 4.283 4.640 -0.485 0.000 0.199 325 D C -0.333 175.662 176.300 -0.509 0.000 0.980 325 D CA 1.708 55.533 54.000 -0.291 0.000 0.831 325 D CB 0.145 40.819 40.800 -0.211 0.000 0.987 325 D HN 0.462 nan 8.370 nan 0.000 0.460 326 Y N -0.961 119.330 120.300 -0.015 0.000 2.605 326 Y HA 0.480 4.739 4.550 -0.486 0.000 0.343 326 Y C -0.248 175.654 175.900 0.004 0.000 1.036 326 Y CA -1.054 57.055 58.100 0.015 0.000 1.065 326 Y CB 2.250 40.702 38.460 -0.012 0.000 1.288 326 Y HN -0.345 nan 8.280 nan 0.000 0.481 327 V N 2.889 122.927 119.914 0.207 0.000 2.735 327 V HA 0.637 4.466 4.120 -0.485 0.000 0.310 327 V C -1.797 174.373 176.094 0.126 0.000 1.061 327 V CA -0.870 61.516 62.300 0.144 0.000 0.913 327 V CB 2.000 33.884 31.823 0.102 0.000 1.005 327 V HN 0.618 nan 8.190 nan 0.000 0.428 328 L N 6.526 127.870 121.223 0.201 0.000 2.298 328 L HA 0.964 5.013 4.340 -0.485 0.000 0.284 328 L C 0.161 177.209 176.870 0.298 0.000 1.013 328 L CA 0.991 55.951 54.840 0.200 0.000 0.824 328 L CB 0.992 43.136 42.059 0.142 0.000 1.221 328 L HN 0.810 nan 8.230 nan 0.000 0.418 329 G N 3.105 112.027 108.800 0.204 0.000 3.259 329 G HA2 0.642 4.310 3.960 -0.485 0.000 0.178 329 G HA3 0.642 4.310 3.960 -0.485 0.000 0.178 329 G C -1.599 173.484 174.900 0.305 0.000 1.129 329 G CA 0.085 45.365 45.100 0.299 0.000 0.816 329 G HN 0.671 nan 8.290 nan 0.000 0.634 330 D N -2.805 117.768 120.400 0.289 0.000 2.599 330 D HA 0.531 4.880 4.640 -0.485 0.000 0.252 330 D C 0.809 177.249 176.300 0.233 0.000 1.232 330 D CA 0.115 54.271 54.000 0.260 0.000 0.819 330 D CB 1.220 42.202 40.800 0.304 0.000 1.401 330 D HN 0.672 nan 8.370 nan 0.000 0.429 331 A N 0.057 123.018 122.820 0.235 0.000 2.139 331 A HA -0.074 3.954 4.320 -0.485 0.000 0.221 331 A C 1.487 179.149 177.584 0.129 0.000 1.159 331 A CA 1.281 53.416 52.037 0.163 0.000 0.662 331 A CB -0.942 18.160 19.000 0.169 0.000 0.796 331 A HN 0.547 nan 8.150 nan 0.000 0.463 332 F N -0.657 119.349 119.950 0.093 0.000 2.315 332 F HA 0.340 4.575 4.527 -0.486 0.000 0.284 332 F C 2.381 178.160 175.800 -0.035 0.000 1.049 332 F CA 0.903 58.873 58.000 -0.050 0.000 1.323 332 F CB -0.108 38.806 39.000 -0.142 0.000 1.113 332 F HN 0.163 nan 8.300 nan 0.000 0.544 333 A N -0.159 122.815 122.820 0.258 0.000 2.119 333 A HA 0.126 4.155 4.320 -0.485 0.000 0.216 333 A C 0.835 178.379 177.584 -0.065 0.000 1.152 333 A CA 0.683 52.682 52.037 -0.062 0.000 0.708 333 A CB -0.455 18.300 19.000 -0.409 0.000 0.805 333 A HN 0.358 nan 8.150 nan 0.000 0.460 334 L N 1.306 122.569 121.223 0.067 0.000 2.529 334 L HA 0.302 4.351 4.340 -0.485 0.000 0.246 334 L C -2.704 174.163 176.870 -0.005 0.000 1.394 334 L CA -2.310 52.574 54.840 0.073 0.000 0.906 334 L CB 2.130 44.216 42.059 0.045 0.000 1.170 334 L HN 0.048 nan 8.230 nan 0.000 0.501 335 P HA 0.249 nan 4.420 nan 0.000 0.274 335 P C -2.353 174.927 177.300 -0.033 0.000 1.246 335 P CA -1.388 61.668 63.100 -0.074 0.000 0.795 335 P CB 0.359 31.970 31.700 -0.149 0.000 1.006 336 P HA -0.181 nan 4.420 nan 0.000 0.217 336 P C 1.378 178.675 177.300 -0.004 0.000 1.148 336 P CA 2.111 65.196 63.100 -0.024 0.000 0.828 336 P CB -0.601 31.085 31.700 -0.024 0.000 0.783 337 A N -1.921 120.900 122.820 0.002 0.000 2.186 337 A HA -0.128 3.901 4.320 -0.485 0.000 0.219 337 A C 1.947 179.608 177.584 0.129 0.000 1.159 337 A CA 1.307 53.368 52.037 0.040 0.000 0.680 337 A CB -1.216 17.795 19.000 0.019 0.000 0.787 337 A HN 0.202 nan 8.150 nan 0.000 0.467 338 L N -1.939 119.369 121.223 0.141 0.000 2.749 338 L HA 0.192 4.241 4.340 -0.485 0.000 0.242 338 L C 1.866 178.916 176.870 0.301 0.000 1.103 338 L CA 0.351 55.380 54.840 0.314 0.000 0.906 338 L CB -0.007 42.208 42.059 0.260 0.000 1.228 338 L HN 0.314 nan 8.230 nan 0.000 0.517 339 E N 0.586 120.846 120.200 0.100 0.000 2.136 339 E HA -0.258 3.800 4.350 -0.485 0.000 0.202 339 E C -0.763 175.857 176.600 0.034 0.000 1.019 339 E CA 1.864 58.282 56.400 0.030 0.000 0.819 339 E CB -0.937 28.734 29.700 -0.049 0.000 0.739 339 E HN 0.441 nan 8.360 nan 0.000 0.458 340 P HA -0.107 nan 4.420 nan 0.000 0.230 340 P C 0.484 177.583 177.300 -0.337 0.000 1.158 340 P CA 0.961 63.881 63.100 -0.300 0.000 0.769 340 P CB -0.060 31.316 31.700 -0.541 0.000 0.807 341 F N -3.328 116.694 119.950 0.120 0.000 2.693 341 F HA 0.207 4.443 4.527 -0.486 0.000 0.303 341 F C 0.574 176.363 175.800 -0.018 0.000 1.097 341 F CA -0.324 57.711 58.000 0.059 0.000 1.330 341 F CB -0.535 38.496 39.000 0.051 0.000 1.067 341 F HN -0.127 nan 8.300 nan 0.000 0.565 342 Y N -0.340 120.017 120.300 0.095 0.000 2.352 342 Y HA 0.213 4.472 4.550 -0.485 0.000 0.339 342 Y C 1.620 177.516 175.900 -0.007 0.000 0.992 342 Y CA -0.660 57.467 58.100 0.045 0.000 1.100 342 Y CB 1.561 40.035 38.460 0.023 0.000 1.192 342 Y HN -0.051 nan 8.280 nan 0.000 0.458 343 S N 0.232 115.966 115.700 0.057 0.000 2.406 343 S HA -0.045 4.134 4.470 -0.485 0.000 0.228 343 S C 0.266 174.866 174.600 0.000 0.000 1.020 343 S CA 0.254 58.452 58.200 -0.003 0.000 0.965 343 S CB -0.241 62.918 63.200 -0.069 0.000 0.798 343 S HN 0.645 nan 8.310 nan 0.000 0.488 344 E N 1.662 121.887 120.200 0.040 0.000 2.408 344 E HA 0.167 4.225 4.350 -0.485 0.000 0.259 344 E C 0.191 176.816 176.600 0.043 0.000 1.110 344 E CA -0.109 56.299 56.400 0.014 0.000 0.929 344 E CB 0.162 29.904 29.700 0.069 0.000 0.971 344 E HN 0.382 nan 8.360 nan 0.000 0.438 345 H N 1.143 120.140 119.070 -0.120 0.000 2.732 345 H HA 0.143 4.407 4.556 -0.486 0.000 0.351 345 H C -0.746 174.641 175.328 0.097 0.000 1.090 345 H CA -0.293 55.741 56.048 -0.024 0.000 1.431 345 H CB 0.617 30.336 29.762 -0.072 0.000 1.447 345 H HN 0.130 nan 8.280 nan 0.000 0.582 346 V N 7.154 126.903 119.914 -0.274 0.000 2.465 346 V HA 0.214 4.043 4.120 -0.485 0.000 0.279 346 V C 0.333 176.391 176.094 -0.061 0.000 1.045 346 V CA -0.415 61.796 62.300 -0.148 0.000 0.938 346 V CB 1.300 32.992 31.823 -0.218 0.000 0.986 346 V HN 0.535 nan 8.190 nan 0.000 0.467 347 L N 5.648 126.895 121.223 0.039 0.000 2.323 347 L HA 0.732 4.781 4.340 -0.485 0.000 0.265 347 L C -0.217 176.667 176.870 0.023 0.000 1.012 347 L CA -0.814 54.049 54.840 0.038 0.000 0.820 347 L CB 2.231 44.307 42.059 0.028 0.000 1.334 347 L HN 0.508 nan 8.230 nan 0.000 0.427 348 R N 1.783 122.293 120.500 0.016 0.000 2.574 348 R HA 0.580 4.629 4.340 -0.485 0.000 0.288 348 R C -1.352 174.953 176.300 0.009 0.000 1.004 348 R CA -0.837 55.286 56.100 0.039 0.000 0.895 348 R CB 2.247 32.576 30.300 0.048 0.000 1.191 348 R HN 0.412 nan 8.270 nan 0.000 0.444 349 L N 1.957 123.187 121.223 0.011 0.000 2.453 349 L HA 0.132 4.181 4.340 -0.485 0.000 0.261 349 L C 1.750 178.575 176.870 -0.075 0.000 1.179 349 L CA 0.022 54.812 54.840 -0.083 0.000 0.813 349 L CB 0.688 42.641 42.059 -0.176 0.000 1.110 349 L HN 0.630 nan 8.230 nan 0.000 0.466 350 Q N 0.355 120.085 119.800 -0.117 0.000 2.291 350 Q HA 0.016 4.065 4.340 -0.485 0.000 0.205 350 Q C 0.650 176.623 176.000 -0.045 0.000 0.970 350 Q CA 1.234 57.003 55.803 -0.057 0.000 0.876 350 Q CB 0.271 28.974 28.738 -0.059 0.000 0.935 350 Q HN 0.862 nan 8.270 nan 0.000 0.455 351 G N -1.231 107.471 108.800 -0.163 0.000 3.247 351 G HA2 0.632 4.301 3.960 -0.485 0.000 0.226 351 G HA3 0.632 4.301 3.960 -0.485 0.000 0.226 351 G C -1.180 173.333 174.900 -0.646 0.000 1.220 351 G CA -0.397 44.513 45.100 -0.316 0.000 0.875 351 G HN 0.263 nan 8.290 nan 0.000 0.606 352 A N -0.742 121.568 122.820 -0.850 0.000 2.583 352 A HA 0.345 4.374 4.320 -0.485 0.000 0.231 352 A C 0.937 178.525 177.584 0.008 0.000 1.065 352 A CA 0.750 52.529 52.037 -0.430 0.000 0.760 352 A CB -0.330 18.538 19.000 -0.220 0.000 1.001 352 A HN 1.388 nan 8.150 nan 0.000 0.509 353 F N -0.312 119.729 119.950 0.152 0.000 2.558 353 F HA 0.140 4.376 4.527 -0.486 0.000 0.298 353 F C 0.930 177.092 175.800 0.604 0.000 1.119 353 F CA 0.689 58.934 58.000 0.409 0.000 1.451 353 F CB -0.026 39.265 39.000 0.485 0.000 1.091 353 F HN 0.603 nan 8.300 nan 0.000 0.563 354 Q N 3.749 123.187 119.800 -0.604 0.000 2.314 354 Q HA 0.365 4.414 4.340 -0.485 0.000 0.259 354 Q C -2.612 173.144 176.000 -0.406 0.000 0.951 354 Q CA -2.686 52.707 55.803 -0.684 0.000 0.909 354 Q CB 1.751 29.860 28.738 -1.049 0.000 1.236 354 Q HN 0.043 nan 8.270 nan 0.000 0.444 355 P HA 0.267 nan 4.420 nan 0.000 0.281 355 P C -1.226 175.765 177.300 -0.515 0.000 1.281 355 P CA -0.330 62.239 63.100 -0.886 0.000 0.811 355 P CB 1.582 32.582 31.700 -1.167 0.000 1.154 356 S N -1.701 113.735 115.700 -0.440 0.000 2.625 356 S HA 0.309 4.488 4.470 -0.485 0.000 0.271 356 S C -1.205 173.182 174.600 -0.354 0.000 1.161 356 S CA -0.728 57.286 58.200 -0.310 0.000 0.820 356 S CB 0.938 64.041 63.200 -0.163 0.000 1.137 356 S HN 0.335 nan 8.310 nan 0.000 0.470 357 D N 1.538 121.720 120.400 -0.362 0.000 2.435 357 D HA 0.264 4.613 4.640 -0.485 0.000 0.230 357 D C 1.313 177.248 176.300 -0.609 0.000 1.215 357 D CA 0.012 53.790 54.000 -0.371 0.000 0.947 357 D CB 0.483 41.131 40.800 -0.253 0.000 1.048 357 D HN 0.666 nan 8.370 nan 0.000 0.512 358 T N -0.713 113.469 114.554 -0.620 0.000 3.272 358 T HA -0.037 4.021 4.350 -0.485 0.000 0.250 358 T C 1.467 175.982 174.700 -0.308 0.000 1.082 358 T CA 0.270 61.839 62.100 -0.885 0.000 0.968 358 T CB -0.223 68.292 68.868 -0.589 0.000 1.015 358 T HN 0.182 nan 8.240 nan 0.000 0.563 359 S N 0.251 115.832 115.700 -0.198 0.000 2.575 359 S HA 0.210 4.388 4.470 -0.485 0.000 0.215 359 S C 0.805 175.439 174.600 0.058 0.000 0.966 359 S CA -0.793 57.387 58.200 -0.033 0.000 0.911 359 S CB -0.335 62.836 63.200 -0.049 0.000 0.780 359 S HN 0.475 nan 8.310 nan 0.000 0.514 360 R N 1.620 122.161 120.500 0.068 0.000 2.296 360 R HA 0.321 4.370 4.340 -0.485 0.000 0.323 360 R C -0.994 175.500 176.300 0.323 0.000 1.067 360 R CA -0.211 56.005 56.100 0.192 0.000 0.946 360 R CB 0.879 31.289 30.300 0.183 0.000 0.991 360 R HN 0.163 nan 8.270 nan 0.000 0.448 361 V N 5.650 125.670 119.914 0.176 0.000 2.387 361 V HA 0.032 3.861 4.120 -0.485 0.000 0.260 361 V C 0.398 176.550 176.094 0.097 0.000 1.054 361 V CA -0.458 61.913 62.300 0.118 0.000 0.967 361 V CB 0.976 32.838 31.823 0.065 0.000 1.036 361 V HN 0.471 nan 8.190 nan 0.000 0.481 362 V N 5.603 125.559 119.914 0.069 0.000 2.450 362 V HA 0.298 4.127 4.120 -0.485 0.000 0.281 362 V C 1.056 177.146 176.094 -0.006 0.000 1.019 362 V CA -0.015 62.299 62.300 0.024 0.000 1.062 362 V CB 0.157 31.959 31.823 -0.034 0.000 0.979 362 V HN 0.953 nan 8.190 nan 0.000 0.477 363 A N 5.235 128.055 122.820 0.001 0.000 2.366 363 A HA 0.339 4.368 4.320 -0.485 0.000 0.250 363 A C 0.527 178.097 177.584 -0.023 0.000 1.099 363 A CA -0.354 51.680 52.037 -0.005 0.000 0.794 363 A CB 0.161 19.165 19.000 0.006 0.000 1.056 363 A HN 0.759 nan 8.150 nan 0.000 0.499 364 E N 1.278 121.466 120.200 -0.019 0.000 2.316 364 E HA 0.320 4.379 4.350 -0.485 0.000 0.275 364 E C -2.034 174.560 176.600 -0.011 0.000 1.029 364 E CA -1.491 54.891 56.400 -0.029 0.000 0.871 364 E CB 0.573 30.262 29.700 -0.017 0.000 1.022 364 E HN 0.455 nan 8.360 nan 0.000 0.418 365 P HA 0.344 nan 4.420 nan 0.000 0.278 365 P C -2.556 174.818 177.300 0.124 0.000 1.258 365 P CA -1.513 61.616 63.100 0.048 0.000 0.811 365 P CB -0.125 31.588 31.700 0.022 0.000 1.063 366 P HA 0.058 nan 4.420 nan 0.000 0.272 366 P C 0.303 177.726 177.300 0.205 0.000 1.230 366 P CA -0.127 63.051 63.100 0.130 0.000 0.788 366 P CB 0.096 31.852 31.700 0.094 0.000 0.949 367 S N 1.312 117.081 115.700 0.114 0.000 2.587 367 S HA 0.074 4.253 4.470 -0.485 0.000 0.260 367 S C 1.360 175.855 174.600 -0.174 0.000 1.353 367 S CA -0.170 58.058 58.200 0.047 0.000 0.995 367 S CB 0.318 63.519 63.200 0.001 0.000 0.912 367 S HN 0.323 nan 8.310 nan 0.000 0.568 368 R N 0.414 120.645 120.500 -0.449 0.000 2.133 368 R HA -0.127 3.922 4.340 -0.485 0.000 0.245 368 R C 2.541 178.657 176.300 -0.308 0.000 1.137 368 R CA 2.448 58.216 56.100 -0.553 0.000 0.947 368 R CB -1.378 28.643 30.300 -0.466 0.000 0.865 368 R HN 0.842 nan 8.270 nan 0.000 0.437 369 T N 0.766 115.204 114.554 -0.193 0.000 2.652 369 T HA -0.218 3.840 4.350 -0.485 0.000 0.267 369 T C 1.764 176.408 174.700 -0.093 0.000 1.039 369 T CA 1.586 63.609 62.100 -0.128 0.000 1.153 369 T CB -0.209 68.608 68.868 -0.085 0.000 0.863 369 T HN 0.387 nan 8.240 nan 0.000 0.428 370 Q N -0.318 119.444 119.800 -0.063 0.000 2.234 370 Q HA -0.067 3.982 4.340 -0.485 0.000 0.206 370 Q C 2.224 178.219 176.000 -0.008 0.000 0.980 370 Q CA 1.082 56.873 55.803 -0.020 0.000 0.869 370 Q CB -0.290 28.453 28.738 0.009 0.000 0.912 370 Q HN 0.509 nan 8.270 nan 0.000 0.436 371 C N -0.565 118.706 119.300 -0.049 0.000 2.697 371 C HA 0.281 4.450 4.460 -0.485 0.000 0.267 371 C C 1.531 176.445 174.990 -0.126 0.000 1.278 371 C CA 0.300 59.306 59.018 -0.020 0.000 1.708 371 C CB -0.847 26.882 27.740 -0.017 0.000 1.860 371 C HN 0.783 nan 8.230 nan 0.000 0.589 372 G N 0.865 109.579 108.800 -0.144 0.000 2.143 372 G HA2 -0.232 3.437 3.960 -0.485 0.000 0.249 372 G HA3 -0.232 3.437 3.960 -0.485 0.000 0.249 372 G C -0.042 174.711 174.900 -0.244 0.000 0.981 372 G CA 0.073 45.089 45.100 -0.141 0.000 0.665 372 G HN 0.526 nan 8.290 nan 0.000 0.528 373 L N 1.315 122.323 121.223 -0.358 0.000 2.399 373 L HA 0.569 4.618 4.340 -0.485 0.000 0.265 373 L C -1.200 175.517 176.870 -0.255 0.000 1.089 373 L CA -2.334 52.273 54.840 -0.388 0.000 0.802 373 L CB 0.741 42.473 42.059 -0.545 0.000 1.180 373 L HN -0.043 nan 8.230 nan 0.000 0.454 374 P HA 0.128 nan 4.420 nan 0.000 0.276 374 P C -0.345 176.860 177.300 -0.157 0.000 1.261 374 P CA -0.374 62.635 63.100 -0.150 0.000 0.800 374 P CB 1.099 32.728 31.700 -0.117 0.000 1.066 375 E N -0.454 119.674 120.200 -0.120 0.000 2.076 375 E HA -0.054 4.005 4.350 -0.485 0.000 0.190 375 E C 0.701 177.248 176.600 -0.088 0.000 0.979 375 E CA 1.119 57.454 56.400 -0.109 0.000 0.807 375 E CB -0.026 29.625 29.700 -0.082 0.000 0.761 375 E HN 0.421 nan 8.360 nan 0.000 0.454 376 Q N -0.307 119.448 119.800 -0.075 0.000 2.221 376 Q HA 0.522 4.571 4.340 -0.485 0.000 0.242 376 Q C -0.365 175.594 176.000 -0.069 0.000 0.940 376 Q CA 0.278 56.044 55.803 -0.062 0.000 0.896 376 Q CB 1.681 30.389 28.738 -0.050 0.000 1.226 376 Q HN 0.245 nan 8.270 nan 0.000 0.463 377 G N -0.294 108.471 108.800 -0.058 0.000 2.770 377 G HA2 -0.073 3.596 3.960 -0.485 0.000 0.686 377 G HA3 -0.073 3.596 3.960 -0.485 0.000 0.686 377 G C -1.307 173.560 174.900 -0.054 0.000 1.180 377 G CA -0.581 44.484 45.100 -0.057 0.000 0.767 377 G HN 0.506 nan 8.290 nan 0.000 0.646 378 V N 1.846 121.735 119.914 -0.042 0.000 2.508 378 V HA 0.457 4.286 4.120 -0.485 0.000 0.281 378 V C 1.056 177.133 176.094 -0.028 0.000 1.041 378 V CA 0.166 62.449 62.300 -0.029 0.000 1.016 378 V CB 1.373 33.184 31.823 -0.021 0.000 0.984 378 V HN 1.599 nan 8.190 nan 0.000 0.478 379 V N 8.069 127.978 119.914 -0.009 0.000 2.328 379 V HA 0.551 4.380 4.120 -0.485 0.000 0.278 379 V C -0.372 175.752 176.094 0.050 0.000 1.021 379 V CA -0.304 61.998 62.300 0.004 0.000 0.838 379 V CB 1.054 32.871 31.823 -0.009 0.000 0.999 379 V HN 0.710 nan 8.190 nan 0.000 0.447 380 L N 7.516 128.751 121.223 0.019 0.000 2.343 380 L HA 0.817 4.865 4.340 -0.485 0.000 0.275 380 L C 0.152 176.994 176.870 -0.046 0.000 1.056 380 L CA -0.218 54.618 54.840 -0.006 0.000 0.804 380 L CB 1.546 43.592 42.059 -0.022 0.000 1.203 380 L HN 0.939 nan 8.230 nan 0.000 0.440 381 C N -0.004 119.183 119.300 -0.189 0.000 3.241 381 C HA 0.830 4.999 4.460 -0.485 0.000 0.312 381 C C -0.823 173.662 174.990 -0.841 0.000 1.350 381 C CA -1.413 57.339 59.018 -0.445 0.000 1.415 381 C CB 1.168 28.541 27.740 -0.613 0.000 1.770 381 C HN 1.017 nan 8.230 nan 0.000 0.466 382 C N 2.877 121.654 119.300 -0.871 0.000 2.620 382 C HA 0.690 4.858 4.460 -0.485 0.000 0.356 382 C C -0.580 174.162 174.990 -0.413 0.000 1.082 382 C CA -0.363 58.119 59.018 -0.894 0.000 1.293 382 C CB -0.339 27.155 27.740 -0.409 0.000 1.836 382 C HN 0.866 nan 8.230 nan 0.000 0.453 383 F N 3.652 123.480 119.950 -0.204 0.000 2.668 383 F HA 0.350 4.586 4.527 -0.485 0.000 0.297 383 F C 1.122 176.958 175.800 0.060 0.000 1.124 383 F CA -0.533 57.461 58.000 -0.009 0.000 1.353 383 F CB -0.672 38.415 39.000 0.144 0.000 0.992 383 F HN 0.544 nan 8.300 nan 0.000 0.524 384 N N 1.042 119.859 118.700 0.195 0.000 2.482 384 N HA 0.008 4.457 4.740 -0.485 0.000 0.260 384 N C 0.349 175.792 175.510 -0.112 0.000 1.236 384 N CA -0.035 53.032 53.050 0.029 0.000 0.938 384 N CB 0.418 38.882 38.487 -0.037 0.000 1.128 384 N HN 0.067 nan 8.380 nan 0.000 0.448 385 N N -0.240 118.290 118.700 -0.283 0.000 2.307 385 N HA -0.069 4.380 4.740 -0.485 0.000 0.230 385 N C 1.202 176.431 175.510 -0.469 0.000 1.297 385 N CA 0.138 52.954 53.050 -0.389 0.000 0.884 385 N CB 0.321 38.455 38.487 -0.588 0.000 1.115 385 N HN 0.526 nan 8.380 nan 0.000 0.436 386 S N 0.549 116.080 115.700 -0.281 0.000 2.399 386 S HA -0.219 3.960 4.470 -0.485 0.000 0.231 386 S C 1.713 176.253 174.600 -0.101 0.000 1.022 386 S CA 1.222 59.345 58.200 -0.129 0.000 0.983 386 S CB -0.773 62.390 63.200 -0.061 0.000 0.803 386 S HN 0.740 nan 8.310 nan 0.000 0.480 387 Y N 1.476 121.758 120.300 -0.030 0.000 2.574 387 Y HA 0.343 4.604 4.550 -0.483 0.000 0.294 387 Y C 1.761 177.640 175.900 -0.036 0.000 1.142 387 Y CA 0.151 58.238 58.100 -0.022 0.000 1.314 387 Y CB -0.579 37.870 38.460 -0.020 0.000 0.991 387 Y HN 0.130 nan 8.280 nan 0.000 0.555 388 K N 0.728 120.957 120.400 -0.285 0.000 2.361 388 K HA 0.221 4.250 4.320 -0.485 0.000 0.196 388 K C 0.015 176.574 176.600 -0.068 0.000 1.039 388 K CA 0.101 56.281 56.287 -0.177 0.000 1.001 388 K CB 0.135 32.427 32.500 -0.346 0.000 0.795 388 K HN 0.281 nan 8.250 nan 0.000 0.495 389 L N 3.744 124.954 121.223 -0.021 0.000 2.387 389 L HA 0.097 4.146 4.340 -0.485 0.000 0.267 389 L C -0.312 176.647 176.870 0.149 0.000 1.197 389 L CA -0.782 54.101 54.840 0.072 0.000 1.070 389 L CB -0.780 41.350 42.059 0.118 0.000 1.349 389 L HN 0.200 nan 8.230 nan 0.000 0.422 390 N N 2.132 120.783 118.700 -0.081 0.000 2.502 390 N HA 0.466 4.915 4.740 -0.485 0.000 0.280 390 N C -2.232 172.806 175.510 -0.787 0.000 1.223 390 N CA -2.457 50.330 53.050 -0.438 0.000 0.966 390 N CB 0.217 38.500 38.487 -0.339 0.000 1.203 390 N HN -0.158 nan 8.380 nan 0.000 0.565 391 P HA -0.250 nan 4.420 nan 0.000 0.216 391 P C 1.394 178.481 177.300 -0.355 0.000 1.157 391 P CA 1.991 64.443 63.100 -1.080 0.000 0.880 391 P CB 0.178 31.381 31.700 -0.827 0.000 0.791 392 Q N -0.609 119.030 119.800 -0.268 0.000 2.061 392 Q HA -0.153 3.896 4.340 -0.485 0.000 0.204 392 Q C 2.045 177.998 176.000 -0.078 0.000 0.984 392 Q CA 2.202 57.934 55.803 -0.119 0.000 0.846 392 Q CB -0.461 28.216 28.738 -0.102 0.000 0.902 392 Q HN 0.113 nan 8.270 nan 0.000 0.421 393 S N 0.108 115.752 115.700 -0.093 0.000 2.368 393 S HA -0.098 4.081 4.470 -0.485 0.000 0.224 393 S C 1.910 176.536 174.600 0.043 0.000 1.029 393 S CA 1.155 59.324 58.200 -0.052 0.000 0.988 393 S CB -0.095 63.082 63.200 -0.038 0.000 0.838 393 S HN 0.365 nan 8.310 nan 0.000 0.462 394 M N 1.626 121.287 119.600 0.102 0.000 2.059 394 M HA 0.017 4.205 4.480 -0.485 0.000 0.259 394 M C 2.584 179.080 176.300 0.327 0.000 1.072 394 M CA 1.567 57.031 55.300 0.273 0.000 1.117 394 M CB -1.912 30.959 32.600 0.453 0.000 1.320 394 M HN 0.343 nan 8.290 nan 0.000 0.408 395 A N 1.306 124.346 122.820 0.367 0.000 1.896 395 A HA -0.275 3.753 4.320 -0.485 0.000 0.220 395 A C 2.242 179.918 177.584 0.154 0.000 1.206 395 A CA 2.961 55.158 52.037 0.268 0.000 0.647 395 A CB -1.002 18.124 19.000 0.210 0.000 0.828 395 A HN 0.645 nan 8.150 nan 0.000 0.455 396 R N -0.905 119.668 120.500 0.121 0.000 2.120 396 R HA -0.029 4.020 4.340 -0.485 0.000 0.234 396 R C 2.045 178.474 176.300 0.214 0.000 1.123 396 R CA 1.812 57.993 56.100 0.135 0.000 0.975 396 R CB -0.471 29.862 30.300 0.055 0.000 0.866 396 R HN 0.523 nan 8.270 nan 0.000 0.446 397 M N 1.038 120.760 119.600 0.205 0.000 2.099 397 M HA -0.051 4.138 4.480 -0.485 0.000 0.262 397 M C 2.276 178.650 176.300 0.122 0.000 1.067 397 M CA 1.606 57.022 55.300 0.192 0.000 1.124 397 M CB -0.212 32.483 32.600 0.158 0.000 1.353 397 M HN 0.125 nan 8.290 nan 0.000 0.410 398 L N -0.133 121.160 121.223 0.117 0.000 2.131 398 L HA -0.146 3.903 4.340 -0.485 0.000 0.210 398 L C 2.785 179.678 176.870 0.038 0.000 1.092 398 L CA 0.944 55.822 54.840 0.063 0.000 0.759 398 L CB -1.004 41.080 42.059 0.042 0.000 0.903 398 L HN 0.296 nan 8.230 nan 0.000 0.435 399 A N -0.398 122.458 122.820 0.061 0.000 1.978 399 A HA -0.138 3.891 4.320 -0.485 0.000 0.220 399 A C 2.386 179.994 177.584 0.040 0.000 1.170 399 A CA 1.705 53.770 52.037 0.047 0.000 0.636 399 A CB -0.655 18.388 19.000 0.070 0.000 0.810 399 A HN 0.207 nan 8.150 nan 0.000 0.448 400 V N -0.120 119.826 119.914 0.053 0.000 2.346 400 V HA -0.181 3.648 4.120 -0.485 0.000 0.244 400 V C 2.503 178.600 176.094 0.005 0.000 1.037 400 V CA 1.657 63.971 62.300 0.024 0.000 1.029 400 V CB -0.552 31.281 31.823 0.017 0.000 0.663 400 V HN 0.595 nan 8.190 nan 0.000 0.454 401 L N -0.582 120.645 121.223 0.007 0.000 2.081 401 L HA -0.240 3.809 4.340 -0.485 0.000 0.212 401 L C 2.765 179.625 176.870 -0.016 0.000 1.080 401 L CA 1.672 56.507 54.840 -0.008 0.000 0.754 401 L CB -0.636 41.420 42.059 -0.006 0.000 0.893 401 L HN 0.279 nan 8.230 nan 0.000 0.433 402 R N 0.075 120.565 120.500 -0.016 0.000 2.070 402 R HA -0.187 3.862 4.340 -0.485 0.000 0.233 402 R C 2.199 178.486 176.300 -0.021 0.000 1.137 402 R CA 1.782 57.868 56.100 -0.024 0.000 0.945 402 R CB -0.236 30.048 30.300 -0.026 0.000 0.845 402 R HN 0.418 nan 8.270 nan 0.000 0.430 403 E N -0.137 120.054 120.200 -0.014 0.000 2.152 403 E HA -0.041 4.018 4.350 -0.485 0.000 0.192 403 E C -0.066 176.524 176.600 -0.016 0.000 0.983 403 E CA 0.451 56.843 56.400 -0.014 0.000 0.818 403 E CB 0.367 30.062 29.700 -0.009 0.000 0.758 403 E HN 0.006 nan 8.360 nan 0.000 0.467 404 V N 2.757 122.660 119.914 -0.018 0.000 2.368 404 V HA 0.053 3.882 4.120 -0.485 0.000 0.266 404 V C -1.774 174.306 176.094 -0.023 0.000 1.045 404 V CA -1.085 61.203 62.300 -0.021 0.000 0.899 404 V CB 0.933 32.743 31.823 -0.022 0.000 1.006 404 V HN 0.038 nan 8.190 nan 0.000 0.470 405 P HA -0.092 nan 4.420 nan 0.000 0.215 405 P C 0.860 178.144 177.300 -0.028 0.000 1.153 405 P CA 1.175 64.260 63.100 -0.025 0.000 0.853 405 P CB 0.361 32.047 31.700 -0.023 0.000 0.788 406 D N -1.248 119.134 120.400 -0.030 0.000 2.323 406 D HA -0.029 4.320 4.640 -0.485 0.000 0.209 406 D C 0.908 177.184 176.300 -0.041 0.000 0.973 406 D CA 0.399 54.378 54.000 -0.035 0.000 0.874 406 D CB -0.098 40.681 40.800 -0.036 0.000 0.930 406 D HN 0.226 nan 8.370 nan 0.000 0.521 407 S N -0.684 114.994 115.700 -0.037 0.000 2.655 407 S HA 0.518 4.697 4.470 -0.485 0.000 0.265 407 S C -0.099 174.474 174.600 -0.045 0.000 1.240 407 S CA -0.805 57.371 58.200 -0.039 0.000 0.986 407 S CB 1.794 64.976 63.200 -0.030 0.000 0.985 407 S HN -0.092 nan 8.310 nan 0.000 0.562 408 V N 0.781 120.666 119.914 -0.048 0.000 2.851 408 V HA 0.499 4.328 4.120 -0.485 0.000 0.307 408 V C -1.507 174.560 176.094 -0.045 0.000 1.129 408 V CA -0.774 61.488 62.300 -0.063 0.000 0.932 408 V CB 1.956 33.717 31.823 -0.103 0.000 1.024 408 V HN 0.900 nan 8.190 nan 0.000 0.426 409 L N 5.078 126.273 121.223 -0.047 0.000 2.298 409 L HA 0.644 4.692 4.340 -0.485 0.000 0.284 409 L C -1.358 175.509 176.870 -0.005 0.000 1.013 409 L CA 0.036 54.857 54.840 -0.032 0.000 0.824 409 L CB 1.162 43.199 42.059 -0.036 0.000 1.221 409 L HN 0.736 nan 8.230 nan 0.000 0.418 410 W N 7.402 128.578 121.300 -0.207 0.000 2.391 410 W HA 0.640 5.009 4.660 -0.485 0.000 0.311 410 W C -1.573 174.837 176.519 -0.182 0.000 1.087 410 W CA -1.183 56.057 57.345 -0.175 0.000 1.209 410 W CB 1.039 30.431 29.460 -0.113 0.000 1.273 410 W HN 0.407 nan 8.180 nan 0.000 0.482 411 L N 5.607 126.914 121.223 0.140 0.000 2.350 411 L HA 0.448 4.497 4.340 -0.485 0.000 0.260 411 L C 0.040 177.051 176.870 0.236 0.000 1.015 411 L CA -1.437 53.452 54.840 0.080 0.000 0.821 411 L CB 1.958 43.972 42.059 -0.075 0.000 1.370 411 L HN 0.108 nan 8.230 nan 0.000 0.416 412 L N 0.846 122.227 121.223 0.263 0.000 2.456 412 L HA 0.113 4.162 4.340 -0.485 0.000 0.272 412 L C 0.679 177.695 176.870 0.242 0.000 1.189 412 L CA 0.268 55.179 54.840 0.119 0.000 0.846 412 L CB 1.332 43.409 42.059 0.029 0.000 1.111 412 L HN 0.594 nan 8.230 nan 0.000 0.475 413 S N 1.400 117.222 115.700 0.205 0.000 2.516 413 S HA 0.339 4.518 4.470 -0.485 0.000 0.282 413 S C 0.267 174.907 174.600 0.066 0.000 1.286 413 S CA -0.440 57.871 58.200 0.186 0.000 1.066 413 S CB 0.528 63.793 63.200 0.109 0.000 0.884 413 S HN 0.728 nan 8.310 nan 0.000 0.491 414 G N 4.481 113.296 108.800 0.025 0.000 2.521 414 G HA2 0.661 4.330 3.960 -0.485 0.000 0.323 414 G HA3 0.661 4.330 3.960 -0.485 0.000 0.323 414 G C -2.741 172.125 174.900 -0.056 0.000 1.211 414 G CA -1.353 43.732 45.100 -0.024 0.000 0.979 414 G HN 0.530 nan 8.290 nan 0.000 0.490 415 P HA 0.381 nan 4.420 nan 0.000 0.276 415 P C 1.010 178.278 177.300 -0.054 0.000 1.261 415 P CA 0.827 63.904 63.100 -0.037 0.000 0.800 415 P CB 0.533 32.219 31.700 -0.023 0.000 1.066 416 G N 1.339 110.134 108.800 -0.007 0.000 2.602 416 G HA2 -0.267 3.402 3.960 -0.485 0.000 0.306 416 G HA3 -0.267 3.402 3.960 -0.485 0.000 0.306 416 G C 0.294 175.157 174.900 -0.062 0.000 1.301 416 G CA 0.124 45.219 45.100 -0.009 0.000 0.974 416 G HN 0.591 nan 8.290 nan 0.000 0.547 417 E N 1.167 121.323 120.200 -0.073 0.000 2.335 417 E HA 0.386 4.444 4.350 -0.485 0.000 0.191 417 E C 2.099 178.607 176.600 -0.154 0.000 1.077 417 E CA 0.749 57.084 56.400 -0.107 0.000 1.010 417 E CB -0.063 29.589 29.700 -0.081 0.000 1.141 417 E HN 0.745 nan 8.360 nan 0.000 0.452 418 A N 1.439 124.160 122.820 -0.165 0.000 1.883 418 A HA -0.239 3.790 4.320 -0.485 0.000 0.217 418 A C 1.634 179.089 177.584 -0.216 0.000 1.186 418 A CA 1.791 53.715 52.037 -0.189 0.000 0.624 418 A CB -0.198 18.710 19.000 -0.153 0.000 0.822 418 A HN 0.105 nan 8.150 nan 0.000 0.444 419 D N 0.253 120.455 120.400 -0.329 0.000 2.092 419 D HA -0.085 4.264 4.640 -0.485 0.000 0.193 419 D C 2.237 178.333 176.300 -0.340 0.000 0.994 419 D CA 1.721 55.343 54.000 -0.629 0.000 0.828 419 D CB -0.702 39.356 40.800 -1.235 0.000 0.963 419 D HN 0.438 nan 8.370 nan 0.000 0.450 420 A N 1.392 124.062 122.820 -0.249 0.000 1.884 420 A HA -0.294 3.734 4.320 -0.485 0.000 0.219 420 A C 2.147 179.683 177.584 -0.081 0.000 1.197 420 A CA 2.029 53.988 52.037 -0.129 0.000 0.637 420 A CB -0.613 18.322 19.000 -0.108 0.000 0.827 420 A HN 0.158 nan 8.150 nan 0.000 0.450 421 R N -0.711 119.713 120.500 -0.126 0.000 2.096 421 R HA -0.152 3.896 4.340 -0.485 0.000 0.240 421 R C 2.161 178.402 176.300 -0.097 0.000 1.139 421 R CA 1.656 57.662 56.100 -0.157 0.000 0.952 421 R CB -0.772 29.344 30.300 -0.307 0.000 0.854 421 R HN 0.547 nan 8.270 nan 0.000 0.436 422 L N 0.351 121.540 121.223 -0.057 0.000 2.046 422 L HA -0.184 3.865 4.340 -0.485 0.000 0.208 422 L C 2.797 179.811 176.870 0.240 0.000 1.077 422 L CA 1.465 56.375 54.840 0.117 0.000 0.747 422 L CB -0.393 41.814 42.059 0.247 0.000 0.896 422 L HN 0.165 nan 8.230 nan 0.000 0.432 423 R N -0.188 120.436 120.500 0.206 0.000 2.080 423 R HA -0.188 3.861 4.340 -0.485 0.000 0.236 423 R C 2.440 178.840 176.300 0.167 0.000 1.137 423 R CA 1.514 57.731 56.100 0.195 0.000 0.943 423 R CB -0.696 29.693 30.300 0.149 0.000 0.846 423 R HN 0.376 nan 8.270 nan 0.000 0.431 424 A N 0.920 123.810 122.820 0.116 0.000 1.917 424 A HA -0.239 3.790 4.320 -0.485 0.000 0.219 424 A C 2.012 179.712 177.584 0.193 0.000 1.182 424 A CA 1.541 53.646 52.037 0.114 0.000 0.633 424 A CB -0.748 18.286 19.000 0.056 0.000 0.819 424 A HN 0.403 nan 8.150 nan 0.000 0.448 425 F N 0.811 120.788 119.950 0.045 0.000 2.171 425 F HA -0.016 4.221 4.527 -0.484 0.000 0.300 425 F C 2.501 178.372 175.800 0.118 0.000 1.090 425 F CA 0.901 58.952 58.000 0.085 0.000 1.293 425 F CB -0.505 38.538 39.000 0.072 0.000 1.013 425 F HN 0.261 nan 8.300 nan 0.000 0.486 426 A N -0.540 122.368 122.820 0.148 0.000 1.865 426 A HA -0.287 3.741 4.320 -0.485 0.000 0.217 426 A C 2.075 179.639 177.584 -0.034 0.000 1.191 426 A CA 2.104 54.160 52.037 0.031 0.000 0.623 426 A CB -1.489 17.583 19.000 0.120 0.000 0.826 426 A HN 0.599 nan 8.150 nan 0.000 0.444 427 H N -0.399 118.660 119.070 -0.019 0.000 2.319 427 H HA -0.019 4.246 4.556 -0.485 0.000 0.299 427 H C 2.229 177.521 175.328 -0.061 0.000 1.092 427 H CA 1.955 57.987 56.048 -0.027 0.000 1.302 427 H CB -0.186 29.578 29.762 0.004 0.000 1.373 427 H HN 0.443 nan 8.280 nan 0.000 0.497 428 A N 0.014 122.878 122.820 0.073 0.000 2.139 428 A HA -0.203 3.826 4.320 -0.485 0.000 0.221 428 A C 2.024 179.507 177.584 -0.168 0.000 1.159 428 A CA 1.731 53.759 52.037 -0.016 0.000 0.662 428 A CB -0.206 18.814 19.000 0.034 0.000 0.796 428 A HN 0.532 nan 8.150 nan 0.000 0.463 429 Q N -2.223 117.408 119.800 -0.281 0.000 2.378 429 Q HA 0.206 4.255 4.340 -0.485 0.000 0.216 429 Q C 0.897 176.781 176.000 -0.193 0.000 0.892 429 Q CA 0.795 56.416 55.803 -0.304 0.000 0.931 429 Q CB 0.639 29.116 28.738 -0.435 0.000 1.086 429 Q HN 1.024 nan 8.270 nan 0.000 0.528 430 G N 0.665 109.342 108.800 -0.204 0.000 2.288 430 G HA2 -0.161 3.508 3.960 -0.485 0.000 0.205 430 G HA3 -0.161 3.508 3.960 -0.485 0.000 0.205 430 G C -0.423 174.360 174.900 -0.194 0.000 1.071 430 G CA 0.033 45.006 45.100 -0.211 0.000 0.788 430 G HN 0.103 nan 8.290 nan 0.000 0.491 431 V N 0.101 119.892 119.914 -0.206 0.000 2.686 431 V HA 0.501 4.330 4.120 -0.485 0.000 0.306 431 V C -0.036 175.996 176.094 -0.103 0.000 1.065 431 V CA -1.069 61.157 62.300 -0.124 0.000 0.894 431 V CB 1.993 33.777 31.823 -0.066 0.000 1.004 431 V HN 0.397 nan 8.190 nan 0.000 0.424 432 D N 3.221 123.585 120.400 -0.060 0.000 2.472 432 D HA 0.155 4.504 4.640 -0.485 0.000 0.248 432 D C 1.162 177.496 176.300 0.057 0.000 1.174 432 D CA 0.749 54.758 54.000 0.014 0.000 0.883 432 D CB 1.835 42.640 40.800 0.009 0.000 1.149 432 D HN 0.700 nan 8.370 nan 0.000 0.488 433 A N 4.869 127.764 122.820 0.125 0.000 1.978 433 A HA -0.202 3.826 4.320 -0.485 0.000 0.220 433 A C 1.850 179.498 177.584 0.107 0.000 1.170 433 A CA 1.049 53.166 52.037 0.134 0.000 0.636 433 A CB -0.327 18.768 19.000 0.158 0.000 0.810 433 A HN 0.648 nan 8.150 nan 0.000 0.448 434 Q N -0.382 119.463 119.800 0.076 0.000 2.508 434 Q HA -0.094 3.955 4.340 -0.485 0.000 0.214 434 Q C 1.581 177.590 176.000 0.015 0.000 0.979 434 Q CA 0.856 56.688 55.803 0.048 0.000 0.911 434 Q CB -0.214 28.542 28.738 0.030 0.000 0.969 434 Q HN 0.710 nan 8.270 nan 0.000 0.504 435 R N -0.451 120.055 120.500 0.009 0.000 2.300 435 R HA 0.210 4.259 4.340 -0.485 0.000 0.199 435 R C 0.311 176.579 176.300 -0.052 0.000 0.920 435 R CA 0.041 56.126 56.100 -0.025 0.000 1.046 435 R CB 0.425 30.713 30.300 -0.020 0.000 0.984 435 R HN 0.095 nan 8.270 nan 0.000 0.493 436 L N 1.378 122.571 121.223 -0.050 0.000 2.295 436 L HA 0.432 4.481 4.340 -0.485 0.000 0.285 436 L C -0.431 176.293 176.870 -0.244 0.000 1.035 436 L CA -0.844 53.892 54.840 -0.173 0.000 0.806 436 L CB 1.861 43.805 42.059 -0.192 0.000 1.214 436 L HN -0.243 nan 8.230 nan 0.000 0.426 437 V N 3.187 122.926 119.914 -0.292 0.000 2.495 437 V HA 0.423 4.252 4.120 -0.485 0.000 0.298 437 V C -0.646 175.398 176.094 -0.083 0.000 1.031 437 V CA -0.373 61.845 62.300 -0.137 0.000 0.871 437 V CB 1.880 33.574 31.823 -0.214 0.000 0.988 437 V HN 0.393 nan 8.190 nan 0.000 0.432 438 F N 4.298 124.396 119.950 0.246 0.000 2.347 438 F HA 0.509 4.745 4.527 -0.485 0.000 0.366 438 F C 0.370 176.314 175.800 0.239 0.000 1.107 438 F CA -0.371 57.770 58.000 0.234 0.000 1.058 438 F CB 1.449 40.523 39.000 0.123 0.000 1.236 438 F HN 0.352 nan 8.300 nan 0.000 0.456 439 M N 6.980 126.812 119.600 0.386 0.000 2.188 439 M HA 0.274 4.462 4.480 -0.485 0.000 0.354 439 M C -2.240 174.117 176.300 0.094 0.000 1.342 439 M CA -1.486 53.947 55.300 0.223 0.000 1.117 439 M CB 0.968 33.514 32.600 -0.088 0.000 1.670 439 M HN 0.240 nan 8.290 nan 0.000 0.466 440 P HA 0.164 nan 4.420 nan 0.000 0.289 440 P C -1.530 175.752 177.300 -0.030 0.000 1.299 440 P CA -0.457 62.665 63.100 0.035 0.000 0.766 440 P CB 0.443 32.170 31.700 0.046 0.000 1.226 441 K N 0.360 120.740 120.400 -0.034 0.000 2.379 441 K HA 0.329 4.358 4.320 -0.485 0.000 0.284 441 K C -0.665 175.905 176.600 -0.050 0.000 1.044 441 K CA -0.064 56.183 56.287 -0.067 0.000 0.974 441 K CB -0.352 32.123 32.500 -0.042 0.000 0.962 441 K HN 0.350 nan 8.250 nan 0.000 0.474 442 L N 5.943 127.123 121.223 -0.073 0.000 2.370 442 L HA 0.479 4.528 4.340 -0.485 0.000 0.266 442 L C -2.154 174.708 176.870 -0.013 0.000 1.002 442 L CA -2.540 52.287 54.840 -0.023 0.000 0.818 442 L CB 2.047 44.107 42.059 0.001 0.000 1.325 442 L HN 0.616 nan 8.230 nan 0.000 0.418 443 P HA 0.035 nan 4.420 nan 0.000 0.269 443 P C 0.259 177.620 177.300 0.102 0.000 1.209 443 P CA -0.072 63.053 63.100 0.041 0.000 0.776 443 P CB 0.534 32.259 31.700 0.041 0.000 0.876 444 H N 4.402 123.501 119.070 0.049 0.000 2.272 444 H HA -0.200 4.065 4.556 -0.485 0.000 0.289 444 H C -0.897 174.544 175.328 0.188 0.000 1.100 444 H CA 3.078 59.222 56.048 0.159 0.000 1.209 444 H CB -1.472 28.351 29.762 0.101 0.000 1.348 444 H HN 0.444 nan 8.280 nan 0.000 0.481 445 P HA -0.146 nan 4.420 nan 0.000 0.216 445 P C 1.201 178.501 177.300 0.002 0.000 1.150 445 P CA 2.128 65.262 63.100 0.056 0.000 0.837 445 P CB -0.038 31.712 31.700 0.083 0.000 0.786 446 Q N -2.147 117.668 119.800 0.025 0.000 2.137 446 Q HA -0.173 3.876 4.340 -0.485 0.000 0.198 446 Q C 2.197 178.190 176.000 -0.012 0.000 0.960 446 Q CA 1.083 56.894 55.803 0.014 0.000 0.847 446 Q CB -0.789 27.968 28.738 0.032 0.000 0.915 446 Q HN 0.344 nan 8.270 nan 0.000 0.448 447 Y N 1.518 121.726 120.300 -0.155 0.000 2.145 447 Y HA -0.252 4.008 4.550 -0.484 0.000 0.286 447 Y C 1.966 177.726 175.900 -0.232 0.000 1.145 447 Y CA 1.178 59.128 58.100 -0.250 0.000 1.148 447 Y CB -0.358 37.939 38.460 -0.272 0.000 0.981 447 Y HN 0.098 nan 8.280 nan 0.000 0.507 448 L N 1.329 122.223 121.223 -0.550 0.000 2.083 448 L HA -0.067 3.982 4.340 -0.485 0.000 0.209 448 L C 2.474 179.218 176.870 -0.210 0.000 1.083 448 L CA 2.049 56.578 54.840 -0.518 0.000 0.752 448 L CB -1.324 40.538 42.059 -0.329 0.000 0.899 448 L HN 0.357 nan 8.230 nan 0.000 0.433 449 A N -0.722 122.007 122.820 -0.151 0.000 2.019 449 A HA -0.174 3.855 4.320 -0.485 0.000 0.219 449 A C 2.179 179.732 177.584 -0.052 0.000 1.164 449 A CA 1.175 53.172 52.037 -0.067 0.000 0.644 449 A CB -0.515 18.464 19.000 -0.035 0.000 0.805 449 A HN 0.420 nan 8.150 nan 0.000 0.449 450 R N -1.140 119.292 120.500 -0.115 0.000 2.193 450 R HA -0.138 3.911 4.340 -0.485 0.000 0.229 450 R C 1.590 177.921 176.300 0.050 0.000 1.110 450 R CA 1.245 57.346 56.100 0.003 0.000 0.988 450 R CB -1.040 29.119 30.300 -0.236 0.000 0.871 450 R HN 0.783 nan 8.270 nan 0.000 0.458 451 Y N 0.922 121.230 120.300 0.013 0.000 2.315 451 Y HA -0.164 4.095 4.550 -0.486 0.000 0.288 451 Y C 2.362 178.318 175.900 0.093 0.000 1.154 451 Y CA 1.040 59.182 58.100 0.071 0.000 1.229 451 Y CB -0.112 38.345 38.460 -0.005 0.000 0.980 451 Y HN 0.033 nan 8.280 nan 0.000 0.540 452 R N -0.805 119.773 120.500 0.129 0.000 2.193 452 R HA -0.146 3.903 4.340 -0.485 0.000 0.229 452 R C 1.228 177.529 176.300 0.002 0.000 1.110 452 R CA 1.117 57.220 56.100 0.006 0.000 0.988 452 R CB -0.317 29.899 30.300 -0.139 0.000 0.871 452 R HN 0.461 nan 8.270 nan 0.000 0.458 453 H N -0.375 118.825 119.070 0.217 0.000 2.551 453 H HA 0.262 4.527 4.556 -0.486 0.000 0.266 453 H C 0.422 175.878 175.328 0.214 0.000 0.964 453 H CA 0.274 56.428 56.048 0.177 0.000 1.180 453 H CB 0.187 30.039 29.762 0.150 0.000 1.408 453 H HN 0.136 nan 8.280 nan 0.000 0.563 454 A N 0.698 123.765 122.820 0.411 0.000 2.310 454 A HA 0.227 4.256 4.320 -0.485 0.000 0.299 454 A C 0.494 178.251 177.584 0.288 0.000 1.147 454 A CA -0.516 51.734 52.037 0.354 0.000 0.818 454 A CB 0.847 20.065 19.000 0.364 0.000 1.096 454 A HN 0.089 nan 8.150 nan 0.000 0.495 455 D N -0.106 120.424 120.400 0.217 0.000 2.324 455 D HA 0.198 4.547 4.640 -0.485 0.000 0.212 455 D C -0.374 176.119 176.300 0.321 0.000 0.984 455 D CA 0.939 55.078 54.000 0.231 0.000 0.885 455 D CB 0.480 41.333 40.800 0.089 0.000 0.996 455 D HN 0.319 nan 8.370 nan 0.000 0.505 456 L N -0.143 121.193 121.223 0.189 0.000 2.565 456 L HA 0.354 4.403 4.340 -0.485 0.000 0.261 456 L C -1.961 174.987 176.870 0.129 0.000 0.932 456 L CA -0.796 54.126 54.840 0.138 0.000 0.878 456 L CB 2.056 44.156 42.059 0.068 0.000 1.333 456 L HN -0.202 nan 8.230 nan 0.000 0.409 457 F N 5.413 125.371 119.950 0.012 0.000 2.411 457 F HA 0.612 4.848 4.527 -0.486 0.000 0.350 457 F C -0.797 175.030 175.800 0.044 0.000 1.114 457 F CA -0.505 57.504 58.000 0.016 0.000 1.135 457 F CB 0.830 39.843 39.000 0.023 0.000 1.120 457 F HN 0.359 nan 8.300 nan 0.000 0.495 458 L N 6.180 127.435 121.223 0.054 0.000 2.264 458 L HA 0.246 4.295 4.340 -0.485 0.000 0.287 458 L C -0.308 176.816 176.870 0.423 0.000 1.039 458 L CA -0.732 54.281 54.840 0.287 0.000 0.829 458 L CB 0.835 43.007 42.059 0.189 0.000 1.211 458 L HN 0.609 nan 8.230 nan 0.000 0.427 459 D N 2.035 122.808 120.400 0.622 0.000 2.377 459 D HA 0.264 4.613 4.640 -0.485 0.000 0.245 459 D C -0.031 176.416 176.300 0.245 0.000 1.196 459 D CA 0.036 54.333 54.000 0.495 0.000 0.962 459 D CB 1.233 42.272 40.800 0.399 0.000 1.127 459 D HN 0.502 nan 8.370 nan 0.000 0.471 460 T N -1.216 113.447 114.554 0.183 0.000 2.888 460 T HA 0.521 4.580 4.350 -0.485 0.000 0.284 460 T C -0.674 174.085 174.700 0.099 0.000 1.017 460 T CA -0.774 61.371 62.100 0.075 0.000 1.022 460 T CB 1.348 70.242 68.868 0.043 0.000 1.013 460 T HN 0.467 nan 8.240 nan 0.000 0.465 461 H N 2.202 121.235 119.070 -0.061 0.000 2.572 461 H HA 0.520 4.785 4.556 -0.485 0.000 0.359 461 H C -2.164 173.132 175.328 -0.053 0.000 1.134 461 H CA -2.207 53.813 56.048 -0.047 0.000 1.187 461 H CB 2.553 32.253 29.762 -0.103 0.000 1.597 461 H HN 0.384 nan 8.280 nan 0.000 0.524 462 P HA 0.004 nan 4.420 nan 0.000 0.261 462 P C -0.715 176.423 177.300 -0.269 0.000 1.268 462 P CA 0.529 63.058 63.100 -0.952 0.000 0.833 462 P CB 0.142 31.386 31.700 -0.760 0.000 1.231 463 Y N 1.293 121.457 120.300 -0.227 0.000 2.575 463 Y HA 0.302 4.560 4.550 -0.487 0.000 0.326 463 Y C 0.105 175.977 175.900 -0.047 0.000 0.979 463 Y CA -1.125 56.899 58.100 -0.127 0.000 1.286 463 Y CB 0.378 38.752 38.460 -0.145 0.000 1.093 463 Y HN -0.162 nan 8.280 nan 0.000 0.501 464 N N 2.786 121.724 118.700 0.397 0.000 2.416 464 N HA 0.152 4.600 4.740 -0.485 0.000 0.246 464 N C -0.220 175.432 175.510 0.237 0.000 1.260 464 N CA -0.215 53.033 53.050 0.330 0.000 0.897 464 N CB 0.689 39.432 38.487 0.428 0.000 1.110 464 N HN 0.663 nan 8.380 nan 0.000 0.439 465 A N 1.393 124.350 122.820 0.227 0.000 2.567 465 A HA -0.069 3.960 4.320 -0.485 0.000 0.240 465 A C -0.112 177.704 177.584 0.387 0.000 1.053 465 A CA 0.475 52.638 52.037 0.209 0.000 0.755 465 A CB 0.041 19.114 19.000 0.122 0.000 0.978 465 A HN 0.763 nan 8.150 nan 0.000 0.507 466 H N 1.497 120.639 119.070 0.120 0.000 3.309 466 H HA 0.154 4.419 4.556 -0.485 0.000 0.195 466 H C 2.207 177.590 175.328 0.092 0.000 1.202 466 H CA 1.223 57.364 56.048 0.155 0.000 1.470 466 H CB -0.735 29.181 29.762 0.257 0.000 1.411 466 H HN 0.611 nan 8.280 nan 0.000 0.477 467 T N 0.667 115.381 114.554 0.268 0.000 2.665 467 T HA -0.186 3.873 4.350 -0.485 0.000 0.268 467 T C 2.007 176.816 174.700 0.182 0.000 1.035 467 T CA 2.773 64.977 62.100 0.173 0.000 1.151 467 T CB -0.559 68.410 68.868 0.168 0.000 0.862 467 T HN 0.686 nan 8.240 nan 0.000 0.438 468 T N 0.668 115.359 114.554 0.228 0.000 2.833 468 T HA 0.009 4.068 4.350 -0.485 0.000 0.269 468 T C 2.173 176.878 174.700 0.007 0.000 1.054 468 T CA 1.252 63.532 62.100 0.300 0.000 1.135 468 T CB -0.569 68.593 68.868 0.489 0.000 0.869 468 T HN 0.338 nan 8.240 nan 0.000 0.466 469 A N 1.419 124.160 122.820 -0.131 0.000 1.883 469 A HA -0.043 3.986 4.320 -0.485 0.000 0.217 469 A C 2.740 180.208 177.584 -0.193 0.000 1.186 469 A CA 2.169 53.993 52.037 -0.354 0.000 0.624 469 A CB -1.418 17.466 19.000 -0.194 0.000 0.822 469 A HN 0.545 nan 8.150 nan 0.000 0.444 470 S N -0.324 115.350 115.700 -0.043 0.000 2.353 470 S HA -0.213 3.966 4.470 -0.485 0.000 0.222 470 S C 1.742 176.418 174.600 0.127 0.000 1.035 470 S CA 1.801 60.041 58.200 0.066 0.000 1.025 470 S CB -0.595 62.627 63.200 0.036 0.000 0.902 470 S HN 0.589 nan 8.310 nan 0.000 0.440 471 D N 1.572 122.026 120.400 0.090 0.000 2.103 471 D HA -0.116 4.232 4.640 -0.485 0.000 0.190 471 D C 2.276 178.402 176.300 -0.290 0.000 0.997 471 D CA 1.547 55.584 54.000 0.062 0.000 0.833 471 D CB -0.957 39.996 40.800 0.255 0.000 0.961 471 D HN 0.480 nan 8.370 nan 0.000 0.447 472 A N 0.705 123.156 122.820 -0.615 0.000 1.873 472 A HA -0.193 3.836 4.320 -0.485 0.000 0.218 472 A C 2.496 179.839 177.584 -0.401 0.000 1.193 472 A CA 1.462 52.954 52.037 -0.908 0.000 0.629 472 A CB -0.993 17.626 19.000 -0.635 0.000 0.826 472 A HN 0.240 nan 8.150 nan 0.000 0.447 473 L N -1.923 119.195 121.223 -0.176 0.000 2.046 473 L HA -0.199 3.850 4.340 -0.485 0.000 0.208 473 L C 2.610 179.464 176.870 -0.026 0.000 1.077 473 L CA 1.463 56.293 54.840 -0.015 0.000 0.747 473 L CB -0.531 41.633 42.059 0.175 0.000 0.896 473 L HN 0.791 nan 8.230 nan 0.000 0.432 474 W N 1.375 122.547 121.300 -0.214 0.000 2.342 474 W HA -0.257 4.112 4.660 -0.485 0.000 0.297 474 W C 2.281 178.592 176.519 -0.348 0.000 1.213 474 W CA 1.977 59.023 57.345 -0.499 0.000 1.251 474 W CB -0.084 29.150 29.460 -0.376 0.000 1.136 474 W HN 0.350 nan 8.180 nan 0.000 0.526 475 T N -2.522 111.845 114.554 -0.312 0.000 3.113 475 T HA 0.245 4.304 4.350 -0.485 0.000 0.256 475 T C 1.470 176.003 174.700 -0.278 0.000 1.131 475 T CA 1.066 62.973 62.100 -0.323 0.000 1.074 475 T CB -0.181 68.611 68.868 -0.126 0.000 0.944 475 T HN 0.392 nan 8.240 nan 0.000 0.516 476 G N 0.044 108.677 108.800 -0.277 0.000 2.148 476 G HA2 -0.210 3.459 3.960 -0.485 0.000 0.203 476 G HA3 -0.210 3.459 3.960 -0.485 0.000 0.203 476 G C 0.173 174.928 174.900 -0.241 0.000 0.993 476 G CA -0.304 44.659 45.100 -0.227 0.000 0.661 476 G HN 0.845 nan 8.290 nan 0.000 0.518 477 C N 3.115 122.288 119.300 -0.211 0.000 2.347 477 C HA 0.738 4.907 4.460 -0.485 0.000 0.353 477 C C -1.507 173.358 174.990 -0.207 0.000 1.273 477 C CA -2.019 56.870 59.018 -0.215 0.000 1.861 477 C CB 0.701 28.448 27.740 0.012 0.000 2.420 477 C HN 0.403 nan 8.230 nan 0.000 0.542 478 P HA 0.234 nan 4.420 nan 0.000 0.275 478 P C -1.073 176.213 177.300 -0.023 0.000 1.228 478 P CA 0.114 63.130 63.100 -0.139 0.000 0.786 478 P CB 0.825 32.433 31.700 -0.153 0.000 0.927 479 V N 3.862 123.761 119.914 -0.024 0.000 2.409 479 V HA 0.245 4.073 4.120 -0.485 0.000 0.291 479 V C 0.199 176.338 176.094 0.075 0.000 1.020 479 V CA -0.737 61.580 62.300 0.028 0.000 0.848 479 V CB 1.387 33.136 31.823 -0.123 0.000 0.990 479 V HN 0.401 nan 8.190 nan 0.000 0.430 480 L N 4.923 126.237 121.223 0.152 0.000 2.282 480 L HA 0.832 4.881 4.340 -0.485 0.000 0.288 480 L C 0.002 177.106 176.870 0.390 0.000 1.033 480 L CA 0.917 55.835 54.840 0.130 0.000 0.807 480 L CB 1.648 43.633 42.059 -0.124 0.000 1.209 480 L HN 0.815 nan 8.230 nan 0.000 0.423 481 T N 1.679 116.448 114.554 0.359 0.000 2.843 481 T HA 0.626 4.685 4.350 -0.485 0.000 0.302 481 T C -0.983 173.892 174.700 0.291 0.000 1.232 481 T CA -0.100 62.216 62.100 0.360 0.000 1.009 481 T CB 1.399 70.398 68.868 0.220 0.000 1.254 481 T HN 0.696 nan 8.240 nan 0.000 0.504 482 T N 1.966 116.626 114.554 0.177 0.000 3.155 482 T HA 0.553 4.612 4.350 -0.485 0.000 0.384 482 T C -2.877 171.880 174.700 0.094 0.000 1.351 482 T CA -1.713 60.440 62.100 0.088 0.000 1.198 482 T CB 0.478 69.304 68.868 -0.070 0.000 1.106 482 T HN 0.292 nan 8.240 nan 0.000 0.564 483 P HA 0.199 nan 4.420 nan 0.000 0.257 483 P C 0.941 178.305 177.300 0.106 0.000 1.189 483 P CA 0.454 63.660 63.100 0.177 0.000 0.780 483 P CB 0.256 32.114 31.700 0.262 0.000 0.772 484 G N 2.882 111.774 108.800 0.153 0.000 2.582 484 G HA2 0.092 3.761 3.960 -0.485 0.000 0.232 484 G HA3 0.092 3.761 3.960 -0.485 0.000 0.232 484 G C 0.286 175.224 174.900 0.063 0.000 1.458 484 G CA -0.327 44.871 45.100 0.163 0.000 1.062 484 G HN 0.435 nan 8.290 nan 0.000 0.566 485 E N -0.798 119.432 120.200 0.050 0.000 2.501 485 E HA 0.140 4.198 4.350 -0.485 0.000 0.201 485 E C 0.266 176.849 176.600 -0.029 0.000 1.016 485 E CA 0.055 56.449 56.400 -0.011 0.000 0.920 485 E CB 0.702 30.384 29.700 -0.031 0.000 1.023 485 E HN 0.461 nan 8.360 nan 0.000 0.474 486 T N -3.232 111.316 114.554 -0.010 0.000 2.924 486 T HA 0.257 4.315 4.350 -0.485 0.000 0.291 486 T C 0.522 175.276 174.700 0.091 0.000 1.045 486 T CA -0.837 61.271 62.100 0.014 0.000 1.015 486 T CB 1.310 70.143 68.868 -0.057 0.000 1.103 486 T HN -0.042 nan 8.240 nan 0.000 0.496 487 F N 1.699 121.665 119.950 0.026 0.000 2.091 487 F HA -0.014 4.222 4.527 -0.485 0.000 0.299 487 F C 2.572 178.367 175.800 -0.009 0.000 1.103 487 F CA 2.142 60.157 58.000 0.025 0.000 1.228 487 F CB -0.658 38.395 39.000 0.089 0.000 0.984 487 F HN 0.762 nan 8.300 nan 0.000 0.477 488 A N -0.245 122.703 122.820 0.213 0.000 2.125 488 A HA 0.071 4.100 4.320 -0.485 0.000 0.219 488 A C 1.992 179.673 177.584 0.162 0.000 1.156 488 A CA 1.305 53.446 52.037 0.172 0.000 0.671 488 A CB -1.217 17.698 19.000 -0.141 0.000 0.794 488 A HN 0.455 nan 8.150 nan 0.000 0.459 489 A N -1.103 121.750 122.820 0.054 0.000 2.379 489 A HA 0.352 4.381 4.320 -0.485 0.000 0.236 489 A C 1.359 179.014 177.584 0.118 0.000 1.272 489 A CA -0.094 51.993 52.037 0.083 0.000 0.886 489 A CB -0.025 18.987 19.000 0.021 0.000 0.962 489 A HN 0.436 nan 8.150 nan 0.000 0.504 490 R N -1.266 119.258 120.500 0.041 0.000 2.590 490 R HA 0.209 4.258 4.340 -0.485 0.000 0.410 490 R C 0.573 176.899 176.300 0.045 0.000 1.010 490 R CA 0.094 56.246 56.100 0.086 0.000 1.155 490 R CB 0.547 30.863 30.300 0.026 0.000 1.455 490 R HN 0.247 nan 8.270 nan 0.000 0.567 491 V N 0.588 120.480 119.914 -0.037 0.000 2.302 491 V HA -0.130 3.699 4.120 -0.485 0.000 0.243 491 V C 2.459 178.586 176.094 0.056 0.000 1.036 491 V CA 2.242 64.524 62.300 -0.030 0.000 1.020 491 V CB -0.414 31.256 31.823 -0.255 0.000 0.657 491 V HN 0.391 nan 8.190 nan 0.000 0.453 492 A N 0.913 123.785 122.820 0.087 0.000 1.917 492 A HA -0.190 3.839 4.320 -0.485 0.000 0.219 492 A C 2.396 179.981 177.584 0.002 0.000 1.182 492 A CA 2.254 54.321 52.037 0.049 0.000 0.633 492 A CB -1.373 17.680 19.000 0.088 0.000 0.819 492 A HN 0.558 nan 8.150 nan 0.000 0.448 493 G N -1.281 107.543 108.800 0.039 0.000 2.432 493 G HA2 -0.168 3.501 3.960 -0.485 0.000 0.219 493 G HA3 -0.168 3.501 3.960 -0.485 0.000 0.219 493 G C 1.853 176.413 174.900 -0.567 0.000 1.135 493 G CA 1.450 46.480 45.100 -0.117 0.000 0.767 493 G HN 0.590 nan 8.290 nan 0.000 0.550 494 S N -0.407 115.151 115.700 -0.237 0.000 2.428 494 S HA 0.091 4.270 4.470 -0.485 0.000 0.230 494 S C 2.335 176.953 174.600 0.030 0.000 1.014 494 S CA 0.562 58.685 58.200 -0.130 0.000 0.957 494 S CB -0.160 63.234 63.200 0.324 0.000 0.784 494 S HN 0.356 nan 8.310 nan 0.000 0.499 495 L N 1.147 122.342 121.223 -0.047 0.000 2.049 495 L HA -0.020 4.029 4.340 -0.485 0.000 0.203 495 L C 2.457 179.272 176.870 -0.091 0.000 1.074 495 L CA 0.963 55.766 54.840 -0.061 0.000 0.749 495 L CB -0.770 41.230 42.059 -0.097 0.000 0.907 495 L HN 0.249 nan 8.230 nan 0.000 0.439 496 N N -0.396 118.226 118.700 -0.131 0.000 2.069 496 N HA -0.248 4.200 4.740 -0.485 0.000 0.191 496 N C 1.816 177.221 175.510 -0.176 0.000 1.031 496 N CA 1.575 54.548 53.050 -0.128 0.000 0.852 496 N CB -0.499 37.923 38.487 -0.107 0.000 1.018 496 N HN 0.396 nan 8.380 nan 0.000 0.423 497 H N -0.043 118.763 119.070 -0.440 0.000 2.290 497 H HA -0.041 4.223 4.556 -0.485 0.000 0.298 497 H C 1.403 176.512 175.328 -0.365 0.000 1.087 497 H CA 2.022 57.767 56.048 -0.505 0.000 1.291 497 H CB -0.332 28.863 29.762 -0.946 0.000 1.369 497 H HN 0.401 nan 8.280 nan 0.000 0.492 498 H N -1.304 117.647 119.070 -0.197 0.000 2.555 498 H HA 0.036 4.301 4.556 -0.485 0.000 0.269 498 H C 1.447 176.677 175.328 -0.163 0.000 0.988 498 H CA 0.460 56.401 56.048 -0.177 0.000 1.178 498 H CB 0.380 30.112 29.762 -0.050 0.000 1.373 498 H HN 0.248 nan 8.280 nan 0.000 0.588 499 L N -1.030 120.149 121.223 -0.073 0.000 2.307 499 L HA 0.227 4.276 4.340 -0.485 0.000 0.211 499 L C 1.704 178.530 176.870 -0.073 0.000 1.099 499 L CA 1.443 56.255 54.840 -0.045 0.000 0.816 499 L CB -0.187 41.856 42.059 -0.028 0.000 0.952 499 L HN 0.457 nan 8.230 nan 0.000 0.455 500 G N -0.696 108.016 108.800 -0.147 0.000 2.144 500 G HA2 -0.224 3.445 3.960 -0.485 0.000 0.218 500 G HA3 -0.224 3.445 3.960 -0.485 0.000 0.218 500 G C 0.346 175.189 174.900 -0.094 0.000 0.988 500 G CA 0.129 45.145 45.100 -0.141 0.000 0.659 500 G HN 0.226 nan 8.290 nan 0.000 0.522 501 L N 1.468 122.639 121.223 -0.087 0.000 2.648 501 L HA 0.325 4.374 4.340 -0.485 0.000 0.238 501 L C 1.054 177.897 176.870 -0.045 0.000 1.316 501 L CA -0.526 54.281 54.840 -0.055 0.000 1.241 501 L CB 0.327 42.358 42.059 -0.046 0.000 1.499 501 L HN 0.036 nan 8.230 nan 0.000 0.411 502 D N 0.875 121.255 120.400 -0.032 0.000 2.310 502 D HA -0.148 4.201 4.640 -0.485 0.000 0.212 502 D C 1.726 178.039 176.300 0.022 0.000 0.965 502 D CA 0.828 54.833 54.000 0.007 0.000 0.879 502 D CB 0.383 41.206 40.800 0.038 0.000 0.921 502 D HN 0.585 nan 8.370 nan 0.000 0.510 503 E N 0.198 120.403 120.200 0.009 0.000 2.494 503 E HA -0.074 3.985 4.350 -0.485 0.000 0.193 503 E C 1.167 177.774 176.600 0.012 0.000 1.074 503 E CA 0.140 56.548 56.400 0.013 0.000 0.867 503 E CB 0.055 29.758 29.700 0.005 0.000 0.924 503 E HN 0.139 nan 8.360 nan 0.000 0.502 504 M N 0.805 120.411 119.600 0.011 0.000 2.371 504 M HA 0.207 4.396 4.480 -0.485 0.000 0.246 504 M C -0.354 175.978 176.300 0.054 0.000 1.103 504 M CA -0.071 55.239 55.300 0.017 0.000 1.010 504 M CB -0.237 32.362 32.600 -0.001 0.000 1.457 504 M HN -0.096 nan 8.290 nan 0.000 0.486 505 N N 1.603 120.339 118.700 0.060 0.000 2.469 505 N HA 0.416 4.865 4.740 -0.485 0.000 0.253 505 N C -0.558 175.014 175.510 0.104 0.000 0.970 505 N CA -0.108 53.001 53.050 0.099 0.000 0.940 505 N CB 1.827 40.376 38.487 0.104 0.000 1.128 505 N HN 0.001 nan 8.380 nan 0.000 0.503 506 V N -0.925 119.065 119.914 0.126 0.000 2.769 506 V HA 0.763 4.592 4.120 -0.485 0.000 0.312 506 V C 1.215 177.362 176.094 0.089 0.000 1.058 506 V CA -0.867 61.498 62.300 0.108 0.000 0.952 506 V CB 1.435 33.333 31.823 0.126 0.000 1.019 506 V HN 0.487 nan 8.190 nan 0.000 0.445 507 A N 1.922 124.778 122.820 0.061 0.000 1.933 507 A HA 0.120 4.148 4.320 -0.485 0.000 0.218 507 A C 0.827 178.414 177.584 0.005 0.000 1.175 507 A CA 2.011 54.068 52.037 0.032 0.000 0.628 507 A CB -0.785 18.229 19.000 0.024 0.000 0.814 507 A HN 1.334 nan 8.150 nan 0.000 0.444 508 D N -4.499 115.911 120.400 0.017 0.000 2.779 508 D HA 0.162 4.510 4.640 -0.485 0.000 0.331 508 D C -0.389 175.917 176.300 0.010 0.000 1.331 508 D CA -0.226 53.758 54.000 -0.026 0.000 0.866 508 D CB -0.429 40.351 40.800 -0.033 0.000 1.409 508 D HN -0.169 nan 8.370 nan 0.000 0.486 509 D N -0.088 120.289 120.400 -0.039 0.000 2.092 509 D HA -0.082 4.267 4.640 -0.485 0.000 0.193 509 D C 1.995 178.357 176.300 0.103 0.000 0.994 509 D CA 2.812 56.807 54.000 -0.008 0.000 0.828 509 D CB -0.643 40.126 40.800 -0.050 0.000 0.963 509 D HN 0.523 nan 8.370 nan 0.000 0.450 510 A N 0.797 123.654 122.820 0.062 0.000 1.908 510 A HA -0.116 3.913 4.320 -0.485 0.000 0.218 510 A C 2.293 179.928 177.584 0.086 0.000 1.181 510 A CA 2.567 54.644 52.037 0.066 0.000 0.627 510 A CB -0.809 18.213 19.000 0.036 0.000 0.818 510 A HN 0.258 nan 8.150 nan 0.000 0.445 511 A N -1.261 121.613 122.820 0.089 0.000 1.898 511 A HA 0.023 4.052 4.320 -0.485 0.000 0.216 511 A C 1.983 179.644 177.584 0.128 0.000 1.181 511 A CA 1.464 53.554 52.037 0.088 0.000 0.620 511 A CB -0.727 18.317 19.000 0.074 0.000 0.819 511 A HN 0.611 nan 8.150 nan 0.000 0.442 512 F N 1.066 121.020 119.950 0.008 0.000 2.008 512 F HA -0.288 3.948 4.527 -0.485 0.000 0.297 512 F C 2.360 178.171 175.800 0.019 0.000 1.156 512 F CA 2.594 60.604 58.000 0.018 0.000 1.191 512 F CB -0.689 38.321 39.000 0.017 0.000 0.955 512 F HN 0.052 nan 8.300 nan 0.000 0.497 513 V N 0.815 120.860 119.914 0.219 0.000 2.250 513 V HA -0.414 3.415 4.120 -0.485 0.000 0.250 513 V C 2.693 178.785 176.094 -0.003 0.000 1.060 513 V CA 2.176 64.522 62.300 0.077 0.000 1.030 513 V CB -1.967 29.931 31.823 0.126 0.000 0.643 513 V HN 0.600 nan 8.190 nan 0.000 0.445 514 A N 0.144 122.977 122.820 0.021 0.000 1.873 514 A HA -0.338 3.691 4.320 -0.485 0.000 0.218 514 A C 2.254 179.821 177.584 -0.029 0.000 1.193 514 A CA 2.711 54.748 52.037 0.001 0.000 0.629 514 A CB -0.610 18.400 19.000 0.015 0.000 0.826 514 A HN 0.515 nan 8.150 nan 0.000 0.447 515 K N -0.011 120.361 120.400 -0.046 0.000 2.026 515 K HA 0.007 4.036 4.320 -0.485 0.000 0.208 515 K C 2.023 178.556 176.600 -0.111 0.000 1.048 515 K CA 1.853 58.097 56.287 -0.072 0.000 0.929 515 K CB -0.681 31.773 32.500 -0.075 0.000 0.713 515 K HN 0.334 nan 8.250 nan 0.000 0.439 516 A N 0.056 122.758 122.820 -0.197 0.000 1.933 516 A HA -0.083 3.946 4.320 -0.485 0.000 0.218 516 A C 2.355 179.877 177.584 -0.104 0.000 1.175 516 A CA 1.726 53.645 52.037 -0.197 0.000 0.628 516 A CB -0.740 18.064 19.000 -0.328 0.000 0.814 516 A HN 0.143 nan 8.150 nan 0.000 0.444 517 V N -0.157 119.711 119.914 -0.077 0.000 2.261 517 V HA -0.263 3.565 4.120 -0.485 0.000 0.246 517 V C 3.093 179.166 176.094 -0.035 0.000 1.047 517 V CA 2.006 64.280 62.300 -0.043 0.000 1.015 517 V CB -1.201 30.607 31.823 -0.025 0.000 0.642 517 V HN 0.620 nan 8.190 nan 0.000 0.446 518 A N -0.524 122.276 122.820 -0.034 0.000 1.917 518 A HA -0.218 3.811 4.320 -0.485 0.000 0.219 518 A C 2.225 179.795 177.584 -0.023 0.000 1.182 518 A CA 2.093 54.116 52.037 -0.024 0.000 0.633 518 A CB -0.569 18.418 19.000 -0.021 0.000 0.819 518 A HN 0.508 nan 8.150 nan 0.000 0.448 519 L N -1.094 120.111 121.223 -0.031 0.000 1.988 519 L HA -0.180 3.869 4.340 -0.485 0.000 0.207 519 L C 3.180 180.042 176.870 -0.014 0.000 1.071 519 L CA 1.136 55.964 54.840 -0.020 0.000 0.744 519 L CB -0.656 41.388 42.059 -0.025 0.000 0.893 519 L HN 0.442 nan 8.230 nan 0.000 0.433 520 A N 0.172 122.978 122.820 -0.023 0.000 1.892 520 A HA -0.244 3.785 4.320 -0.485 0.000 0.218 520 A C 2.406 179.979 177.584 -0.019 0.000 1.188 520 A CA 2.356 54.382 52.037 -0.019 0.000 0.631 520 A CB -0.773 18.212 19.000 -0.025 0.000 0.822 520 A HN 0.554 nan 8.150 nan 0.000 0.447 521 S N -1.381 114.308 115.700 -0.020 0.000 2.562 521 S HA 0.031 4.210 4.470 -0.485 0.000 0.221 521 S C 0.381 174.971 174.600 -0.016 0.000 0.975 521 S CA 0.594 58.783 58.200 -0.018 0.000 0.918 521 S CB -0.046 63.143 63.200 -0.018 0.000 0.772 521 S HN 0.416 nan 8.310 nan 0.000 0.531 522 D N 2.701 123.092 120.400 -0.014 0.000 2.479 522 D HA 0.326 4.675 4.640 -0.485 0.000 0.247 522 D C -1.645 174.648 176.300 -0.012 0.000 1.119 522 D CA -2.455 51.538 54.000 -0.012 0.000 0.922 522 D CB 1.590 42.384 40.800 -0.010 0.000 1.014 522 D HN 0.059 nan 8.370 nan 0.000 0.510 523 P HA -0.175 nan 4.420 nan 0.000 0.218 523 P C 1.196 178.484 177.300 -0.020 0.000 1.148 523 P CA 0.811 63.898 63.100 -0.022 0.000 0.822 523 P CB 0.372 32.056 31.700 -0.028 0.000 0.784 524 A N 0.934 123.745 122.820 -0.015 0.000 1.865 524 A HA -0.134 3.895 4.320 -0.485 0.000 0.217 524 A C 2.548 180.130 177.584 -0.004 0.000 1.191 524 A CA 2.652 54.683 52.037 -0.011 0.000 0.623 524 A CB -1.611 17.383 19.000 -0.009 0.000 0.826 524 A HN 0.254 nan 8.150 nan 0.000 0.444 525 A N -1.065 121.754 122.820 -0.001 0.000 1.929 525 A HA 0.076 4.105 4.320 -0.485 0.000 0.216 525 A C 2.120 179.716 177.584 0.020 0.000 1.176 525 A CA 1.564 53.604 52.037 0.006 0.000 0.628 525 A CB -0.563 18.438 19.000 0.002 0.000 0.816 525 A HN 0.617 nan 8.150 nan 0.000 0.444 526 L N 0.098 121.334 121.223 0.021 0.000 2.012 526 L HA -0.143 3.906 4.340 -0.485 0.000 0.210 526 L C 2.492 179.410 176.870 0.081 0.000 1.073 526 L CA 2.848 57.720 54.840 0.052 0.000 0.748 526 L CB -0.944 41.130 42.059 0.024 0.000 0.891 526 L HN 0.397 nan 8.230 nan 0.000 0.431 527 T N -0.356 114.208 114.554 0.015 0.000 2.821 527 T HA -0.110 3.949 4.350 -0.485 0.000 0.267 527 T C 1.927 176.652 174.700 0.043 0.000 1.046 527 T CA 1.079 63.179 62.100 0.000 0.000 1.139 527 T CB -0.602 68.247 68.868 -0.031 0.000 0.871 527 T HN 0.497 nan 8.240 nan 0.000 0.454 528 A N 1.514 124.353 122.820 0.032 0.000 1.908 528 A HA -0.032 3.997 4.320 -0.485 0.000 0.218 528 A C 2.250 179.860 177.584 0.043 0.000 1.181 528 A CA 1.357 53.411 52.037 0.028 0.000 0.627 528 A CB -0.822 18.187 19.000 0.015 0.000 0.818 528 A HN 0.406 nan 8.150 nan 0.000 0.445 529 L N -0.757 120.503 121.223 0.061 0.000 2.056 529 L HA -0.152 3.897 4.340 -0.485 0.000 0.207 529 L C 2.351 179.252 176.870 0.053 0.000 1.078 529 L CA 2.176 57.045 54.840 0.050 0.000 0.749 529 L CB -0.838 41.251 42.059 0.050 0.000 0.901 529 L HN 0.541 nan 8.230 nan 0.000 0.433 530 H N -0.678 118.383 119.070 -0.016 0.000 2.319 530 H HA -0.163 4.102 4.556 -0.485 0.000 0.299 530 H C 2.079 177.387 175.328 -0.033 0.000 1.092 530 H CA 1.432 57.466 56.048 -0.023 0.000 1.302 530 H CB -0.056 29.694 29.762 -0.021 0.000 1.373 530 H HN 0.539 nan 8.280 nan 0.000 0.497 531 A N 1.235 124.114 122.820 0.098 0.000 1.883 531 A HA -0.253 3.776 4.320 -0.485 0.000 0.217 531 A C 2.413 180.000 177.584 0.005 0.000 1.186 531 A CA 1.988 54.044 52.037 0.033 0.000 0.624 531 A CB -0.595 18.418 19.000 0.023 0.000 0.822 531 A HN 0.350 nan 8.150 nan 0.000 0.444 532 R N -0.495 120.008 120.500 0.005 0.000 2.092 532 R HA -0.067 3.982 4.340 -0.485 0.000 0.231 532 R C 1.830 178.118 176.300 -0.020 0.000 1.119 532 R CA 1.654 57.750 56.100 -0.007 0.000 0.970 532 R CB -0.547 29.749 30.300 -0.006 0.000 0.864 532 R HN 0.260 nan 8.270 nan 0.000 0.440 533 V N 1.261 121.152 119.914 -0.039 0.000 2.255 533 V HA -0.272 3.557 4.120 -0.485 0.000 0.247 533 V C 1.913 177.975 176.094 -0.053 0.000 1.051 533 V CA 2.295 64.560 62.300 -0.057 0.000 1.018 533 V CB -0.725 31.022 31.823 -0.126 0.000 0.641 533 V HN 0.453 nan 8.190 nan 0.000 0.445 534 D N 0.014 120.374 120.400 -0.067 0.000 2.126 534 D HA -0.183 4.166 4.640 -0.485 0.000 0.190 534 D C 2.028 178.297 176.300 -0.053 0.000 1.001 534 D CA 1.851 55.800 54.000 -0.084 0.000 0.841 534 D CB -0.216 40.538 40.800 -0.076 0.000 0.949 534 D HN 0.196 nan 8.370 nan 0.000 0.446 535 V N 0.314 120.211 119.914 -0.027 0.000 2.252 535 V HA -0.273 3.556 4.120 -0.485 0.000 0.249 535 V C 2.660 178.761 176.094 0.011 0.000 1.056 535 V CA 1.710 64.005 62.300 -0.009 0.000 1.022 535 V CB -0.618 31.202 31.823 -0.004 0.000 0.641 535 V HN 0.311 nan 8.190 nan 0.000 0.445 536 L N -0.608 120.626 121.223 0.018 0.000 2.083 536 L HA -0.176 3.873 4.340 -0.485 0.000 0.209 536 L C 2.697 179.633 176.870 0.111 0.000 1.083 536 L CA 1.724 56.593 54.840 0.048 0.000 0.752 536 L CB -0.687 41.392 42.059 0.034 0.000 0.899 536 L HN 0.260 nan 8.230 nan 0.000 0.433 537 R N 0.488 121.047 120.500 0.098 0.000 2.112 537 R HA -0.259 3.790 4.340 -0.485 0.000 0.242 537 R C 2.507 178.917 176.300 0.184 0.000 1.137 537 R CA 2.235 58.426 56.100 0.152 0.000 0.944 537 R CB -0.193 30.043 30.300 -0.106 0.000 0.857 537 R HN 0.255 nan 8.270 nan 0.000 0.435 538 R N -0.723 119.826 120.500 0.081 0.000 2.140 538 R HA 0.048 4.097 4.340 -0.485 0.000 0.213 538 R C 2.027 178.407 176.300 0.134 0.000 1.059 538 R CA 0.937 57.101 56.100 0.106 0.000 1.000 538 R CB -0.050 30.270 30.300 0.033 0.000 0.910 538 R HN 0.290 nan 8.270 nan 0.000 0.455 539 A N 0.848 123.725 122.820 0.096 0.000 1.872 539 A HA -0.049 3.979 4.320 -0.485 0.000 0.214 539 A C 1.289 178.920 177.584 0.079 0.000 1.187 539 A CA 1.146 53.227 52.037 0.073 0.000 0.614 539 A CB -0.521 18.503 19.000 0.040 0.000 0.826 539 A HN 0.522 nan 8.150 nan 0.000 0.442 540 S N -1.327 114.432 115.700 0.098 0.000 2.624 540 S HA 0.428 4.607 4.470 -0.485 0.000 0.263 540 S C 1.185 175.843 174.600 0.097 0.000 1.287 540 S CA 0.034 58.277 58.200 0.072 0.000 0.990 540 S CB 1.181 64.415 63.200 0.057 0.000 0.950 540 S HN 0.653 nan 8.310 nan 0.000 0.561 541 G N -0.065 108.765 108.800 0.049 0.000 2.813 541 G HA2 0.048 3.717 3.960 -0.485 0.000 0.209 541 G HA3 0.048 3.717 3.960 -0.485 0.000 0.209 541 G C 1.052 176.022 174.900 0.117 0.000 1.150 541 G CA 0.303 45.443 45.100 0.066 0.000 0.785 541 G HN 0.598 nan 8.290 nan 0.000 0.535 542 V N -0.126 119.809 119.914 0.035 0.000 2.490 542 V HA -0.033 3.796 4.120 -0.485 0.000 0.250 542 V C 1.499 177.460 176.094 -0.222 0.000 1.061 542 V CA 1.232 63.455 62.300 -0.128 0.000 1.064 542 V CB -0.422 31.230 31.823 -0.285 0.000 0.670 542 V HN 0.429 nan 8.190 nan 0.000 0.461 543 F N -1.104 118.932 119.950 0.142 0.000 2.850 543 F HA 0.347 4.582 4.527 -0.486 0.000 0.306 543 F C 0.690 176.578 175.800 0.146 0.000 1.162 543 F CA -0.190 57.887 58.000 0.128 0.000 1.327 543 F CB 0.364 39.533 39.000 0.281 0.000 0.953 543 F HN 0.128 nan 8.300 nan 0.000 0.507 544 H N 1.653 120.829 119.070 0.176 0.000 2.448 544 H HA 0.215 4.480 4.556 -0.485 0.000 0.237 544 H C 0.977 176.371 175.328 0.109 0.000 1.391 544 H CA -0.232 55.898 56.048 0.137 0.000 1.477 544 H CB 0.641 30.478 29.762 0.125 0.000 1.520 544 H HN 0.148 nan 8.280 nan 0.000 0.502 545 M N 1.331 120.935 119.600 0.007 0.000 2.279 545 M HA -0.109 4.080 4.480 -0.485 0.000 0.264 545 M C 1.053 177.396 176.300 0.072 0.000 1.062 545 M CA 0.825 56.128 55.300 0.005 0.000 1.099 545 M CB -0.498 32.017 32.600 -0.142 0.000 1.394 545 M HN 0.426 nan 8.290 nan 0.000 0.426 546 D N 0.482 120.886 120.400 0.007 0.000 2.104 546 D HA -0.115 4.234 4.640 -0.485 0.000 0.194 546 D C 2.093 178.525 176.300 0.220 0.000 0.994 546 D CA 1.792 55.841 54.000 0.081 0.000 0.830 546 D CB -0.577 40.231 40.800 0.013 0.000 0.959 546 D HN 0.443 nan 8.370 nan 0.000 0.452 547 G N -0.531 108.518 108.800 0.415 0.000 2.418 547 G HA2 -0.277 3.392 3.960 -0.485 0.000 0.217 547 G HA3 -0.277 3.392 3.960 -0.485 0.000 0.217 547 G C 1.541 176.556 174.900 0.192 0.000 1.158 547 G CA 0.261 45.526 45.100 0.275 0.000 0.771 547 G HN 0.257 nan 8.290 nan 0.000 0.545 548 F N 2.086 122.087 119.950 0.086 0.000 2.095 548 F HA -0.022 4.214 4.527 -0.485 0.000 0.298 548 F C 2.928 178.754 175.800 0.043 0.000 1.104 548 F CA 1.480 59.499 58.000 0.032 0.000 1.232 548 F CB -0.025 38.958 39.000 -0.029 0.000 0.987 548 F HN 0.240 nan 8.300 nan 0.000 0.475 549 A N -0.041 122.962 122.820 0.306 0.000 1.883 549 A HA -0.238 3.791 4.320 -0.485 0.000 0.217 549 A C 1.967 179.665 177.584 0.190 0.000 1.186 549 A CA 2.137 54.307 52.037 0.221 0.000 0.624 549 A CB -1.005 18.071 19.000 0.128 0.000 0.822 549 A HN 0.428 nan 8.150 nan 0.000 0.444 550 D N -0.244 120.237 120.400 0.135 0.000 2.084 550 D HA -0.152 4.197 4.640 -0.485 0.000 0.194 550 D C 1.684 178.018 176.300 0.057 0.000 0.990 550 D CA 1.641 55.696 54.000 0.091 0.000 0.826 550 D CB -0.520 40.326 40.800 0.077 0.000 0.971 550 D HN 0.486 nan 8.370 nan 0.000 0.453 551 D N -0.166 120.246 120.400 0.021 0.000 2.092 551 D HA -0.199 4.150 4.640 -0.485 0.000 0.193 551 D C 1.991 178.270 176.300 -0.035 0.000 0.994 551 D CA 0.753 54.725 54.000 -0.046 0.000 0.828 551 D CB -0.485 40.228 40.800 -0.145 0.000 0.963 551 D HN 0.119 nan 8.370 nan 0.000 0.450 552 F N 0.856 120.699 119.950 -0.178 0.000 2.069 552 F HA -0.048 4.187 4.527 -0.486 0.000 0.298 552 F C 2.306 178.057 175.800 -0.082 0.000 1.113 552 F CA 2.459 60.360 58.000 -0.165 0.000 1.214 552 F CB -0.745 38.196 39.000 -0.098 0.000 0.978 552 F HN 0.052 nan 8.300 nan 0.000 0.474 553 G N -0.514 108.341 108.800 0.092 0.000 2.440 553 G HA2 -0.248 3.421 3.960 -0.485 0.000 0.218 553 G HA3 -0.248 3.421 3.960 -0.485 0.000 0.218 553 G C 1.779 176.649 174.900 -0.050 0.000 1.154 553 G CA 0.879 45.987 45.100 0.014 0.000 0.767 553 G HN 0.642 nan 8.290 nan 0.000 0.552 554 A N 0.378 123.181 122.820 -0.028 0.000 1.930 554 A HA 0.147 4.175 4.320 -0.485 0.000 0.217 554 A C 2.358 179.899 177.584 -0.071 0.000 1.175 554 A CA 1.386 53.408 52.037 -0.024 0.000 0.627 554 A CB -0.376 18.619 19.000 -0.007 0.000 0.815 554 A HN 0.441 nan 8.150 nan 0.000 0.443 555 L N -0.503 120.637 121.223 -0.138 0.000 2.131 555 L HA -0.106 3.942 4.340 -0.485 0.000 0.210 555 L C 2.232 178.972 176.870 -0.217 0.000 1.092 555 L CA 1.185 55.920 54.840 -0.175 0.000 0.759 555 L CB -0.178 41.749 42.059 -0.220 0.000 0.903 555 L HN 0.409 nan 8.230 nan 0.000 0.435 556 L N -0.865 120.183 121.223 -0.291 0.000 2.044 556 L HA -0.188 3.861 4.340 -0.485 0.000 0.205 556 L C 2.711 179.490 176.870 -0.151 0.000 1.075 556 L CA 1.202 55.880 54.840 -0.270 0.000 0.747 556 L CB -0.729 41.129 42.059 -0.335 0.000 0.903 556 L HN 0.337 nan 8.230 nan 0.000 0.435 557 Q N 0.168 119.927 119.800 -0.069 0.000 2.077 557 Q HA -0.246 3.803 4.340 -0.485 0.000 0.206 557 Q C 2.423 178.497 176.000 0.124 0.000 0.989 557 Q CA 1.798 57.654 55.803 0.088 0.000 0.853 557 Q CB -0.387 28.460 28.738 0.182 0.000 0.907 557 Q HN 0.574 nan 8.270 nan 0.000 0.418 558 A N 1.286 124.129 122.820 0.038 0.000 1.858 558 A HA -0.191 3.838 4.320 -0.485 0.000 0.216 558 A C 2.139 179.733 177.584 0.017 0.000 1.190 558 A CA 1.405 53.461 52.037 0.031 0.000 0.617 558 A CB -0.813 18.183 19.000 -0.007 0.000 0.827 558 A HN 0.348 nan 8.150 nan 0.000 0.443 559 L N -0.076 121.110 121.223 -0.061 0.000 2.043 559 L HA -0.179 3.870 4.340 -0.485 0.000 0.212 559 L C 2.623 179.491 176.870 -0.003 0.000 1.075 559 L CA 2.490 57.262 54.840 -0.114 0.000 0.752 559 L CB -0.725 41.165 42.059 -0.282 0.000 0.891 559 L HN 0.365 nan 8.230 nan 0.000 0.432 560 A N -0.570 122.253 122.820 0.005 0.000 1.902 560 A HA -0.212 3.817 4.320 -0.485 0.000 0.217 560 A C 2.415 180.153 177.584 0.256 0.000 1.181 560 A CA 1.815 53.905 52.037 0.088 0.000 0.623 560 A CB -0.531 18.458 19.000 -0.018 0.000 0.818 560 A HN 0.530 nan 8.150 nan 0.000 0.443 561 R N -1.005 119.649 120.500 0.256 0.000 2.073 561 R HA -0.078 3.970 4.340 -0.485 0.000 0.234 561 R C 2.391 178.764 176.300 0.123 0.000 1.134 561 R CA 1.290 57.508 56.100 0.198 0.000 0.952 561 R CB -0.351 30.029 30.300 0.133 0.000 0.850 561 R HN 0.468 nan 8.270 nan 0.000 0.433 562 R N 0.321 120.878 120.500 0.094 0.000 2.371 562 R HA -0.161 3.888 4.340 -0.485 0.000 0.226 562 R C 0.544 176.838 176.300 -0.011 0.000 1.132 562 R CA 1.315 57.437 56.100 0.037 0.000 1.027 562 R CB -0.062 30.256 30.300 0.030 0.000 0.848 562 R HN 0.497 nan 8.270 nan 0.000 0.479 563 H N -2.442 116.656 119.070 0.046 0.000 2.893 563 H HA 0.162 4.427 4.556 -0.485 0.000 0.270 563 H C 0.835 176.208 175.328 0.074 0.000 1.095 563 H CA 0.745 56.826 56.048 0.055 0.000 1.186 563 H CB 1.600 31.392 29.762 0.049 0.000 1.562 563 H HN 0.494 nan 8.280 nan 0.000 0.536 564 G N 0.685 109.589 108.800 0.173 0.000 2.260 564 G HA2 -0.215 3.454 3.960 -0.485 0.000 0.179 564 G HA3 -0.215 3.454 3.960 -0.485 0.000 0.179 564 G C -0.255 174.760 174.900 0.191 0.000 1.002 564 G CA -0.291 44.891 45.100 0.137 0.000 0.677 564 G HN 0.246 nan 8.290 nan 0.000 0.486 565 W N 2.231 123.553 121.300 0.036 0.000 2.264 565 W HA 0.557 4.926 4.660 -0.484 0.000 0.331 565 W C 0.766 177.293 176.519 0.014 0.000 1.364 565 W CA 0.194 57.553 57.345 0.023 0.000 1.253 565 W CB 0.304 29.777 29.460 0.022 0.000 1.215 565 W HN 0.058 nan 8.180 nan 0.000 0.561 566 L N 8.249 129.204 121.223 -0.447 0.000 2.984 566 L HA 0.286 4.335 4.340 -0.485 0.000 0.246 566 L C 1.398 177.768 176.870 -0.834 0.000 1.268 566 L CA 0.175 54.725 54.840 -0.482 0.000 1.054 566 L CB -1.093 40.819 42.059 -0.244 0.000 1.393 566 L HN 0.891 nan 8.230 nan 0.000 0.532 567 G N 0.798 108.491 108.800 -1.845 0.000 2.569 567 G HA2 -0.273 3.396 3.960 -0.485 0.000 0.259 567 G HA3 -0.273 3.396 3.960 -0.485 0.000 0.259 567 G C 0.180 174.531 174.900 -0.915 0.000 1.263 567 G CA -0.197 43.767 45.100 -1.894 0.000 0.928 567 G HN 0.280 nan 8.290 nan 0.000 0.572 568 I N 0.000 120.331 120.570 -0.398 0.000 2.984 568 I HA 0.000 3.879 4.170 -0.485 0.000 0.288 568 I CA 0.000 61.231 61.300 -0.115 0.000 1.566 568 I CB 0.000 37.928 38.000 -0.119 0.000 1.214 568 I HN 0.000 nan 8.210 nan 0.000 0.494