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 3foi_1_E DATA FIRST_RESID 21 DATA SEQUENCE NNSTGTAALA GKFQWGPAFQ IKQVTNEVDL VNTFGQPTAE TADYFMSAMN DATA SEQUENCE FLQYGNDLRV VRAVDRDTAK NSSPIAGNIE YTISTPGSNY AVGDKITVKY DATA SEQUENCE VSDDIETEGK ITEVDADGKI KKINIPTAKI IAKAKEVGEY PTLGSNWTAE DATA SEQUENCE ISSSSSGLAA VITLGKIITD SGILLAEIEN AEAAMTAVDF QANLKKYGIP DATA SEQUENCE GVVALYPGEL GDKIEIEIVS KADYAKGASA LLPIYPGGGT RASTAKAVFG DATA SEQUENCE YGPQTDSQYA IIVRRNDAIV QSVVLSTKRG GKDIYDSNIY IDDFFAKGGS DATA SEQUENCE EYIFATAQNW PEGFSGILTL SGGLSSNAEV TAGDLMEAWD FFADRESVDV DATA SEQUENCE QLFIAGSCAG ESLETASTVQ KHVVSIGDVR QDCLVLCSPP RETVVGIPVT DATA SEQUENCE RAVDNLVNWR TAAGSYTDNN FNISSTYAAI DGNYKYQYDK YNDVNRWVPL DATA SEQUENCE AADIAGLCAR TDNVXXXXXX XXXXXRGQIL NVIKLAIETP 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 N HA 0.000 nan 4.740 nan 0.000 0.220 21 N C 0.000 175.527 175.510 0.028 0.000 1.280 21 N CA 0.000 53.068 53.050 0.030 0.000 0.885 21 N CB 0.000 38.508 38.487 0.035 0.000 1.341 22 N N 0.672 119.387 118.700 0.024 0.000 2.862 22 N HA -0.167 4.573 4.740 -0.000 0.000 0.248 22 N C -0.553 174.973 175.510 0.027 0.000 1.116 22 N CA 1.557 54.620 53.050 0.022 0.000 0.727 22 N CB -1.916 36.584 38.487 0.020 0.000 1.083 22 N HN 1.107 nan 8.380 nan 0.000 0.555 23 S N -3.887 111.831 115.700 0.030 0.000 3.807 23 S HA -0.224 4.245 4.470 -0.000 0.000 0.304 23 S C 0.206 174.833 174.600 0.045 0.000 1.152 23 S CA 2.012 60.233 58.200 0.035 0.000 0.852 23 S CB -2.458 60.762 63.200 0.032 0.000 0.924 23 S HN 1.873 nan 8.310 nan 0.000 0.545 24 T N -0.761 113.821 114.554 0.046 0.000 3.704 24 T HA -0.111 4.239 4.350 -0.000 0.000 0.388 24 T C 0.826 175.568 174.700 0.069 0.000 0.763 24 T CA 1.521 63.654 62.100 0.055 0.000 2.005 24 T CB -2.025 66.876 68.868 0.055 0.000 1.752 24 T HN 2.380 nan 8.240 nan 0.000 0.747 25 G N 2.903 111.748 108.800 0.075 0.000 2.687 25 G HA2 0.395 4.354 3.960 -0.000 0.000 0.288 25 G HA3 0.395 4.354 3.960 -0.000 0.000 0.288 25 G C 0.226 175.208 174.900 0.136 0.000 0.713 25 G CA 0.186 45.347 45.100 0.102 0.000 2.023 25 G HN 0.684 nan 8.290 nan 0.000 0.529 26 T N 1.705 116.322 114.554 0.105 0.000 2.733 26 T HA 0.564 4.914 4.350 -0.000 0.000 0.294 26 T C 0.768 175.490 174.700 0.036 0.000 0.956 26 T CA -0.036 62.111 62.100 0.079 0.000 0.987 26 T CB 1.411 70.312 68.868 0.056 0.000 0.920 26 T HN 0.652 nan 8.240 nan 0.000 0.470 27 A N 2.977 125.796 122.820 -0.002 0.000 2.240 27 A HA 0.924 5.244 4.320 -0.000 0.000 0.292 27 A C 0.068 177.438 177.584 -0.357 0.000 1.121 27 A CA -0.700 51.214 52.037 -0.205 0.000 0.851 27 A CB 0.449 19.096 19.000 -0.589 0.000 1.167 27 A HN 1.050 nan 8.150 nan 0.000 0.503 28 A N -0.616 121.892 122.820 -0.521 0.000 2.465 28 A HA 0.611 4.931 4.320 -0.000 0.000 0.292 28 A C -1.352 175.939 177.584 -0.488 0.000 1.041 28 A CA -0.234 51.349 52.037 -0.756 0.000 0.718 28 A CB 1.045 19.152 19.000 -1.488 0.000 1.266 28 A HN 1.901 nan 8.150 nan 0.000 0.403 29 L N 1.929 122.927 121.223 -0.375 0.000 2.455 29 L HA 0.951 5.291 4.340 -0.000 0.000 0.264 29 L C -0.577 175.978 176.870 -0.525 0.000 0.968 29 L CA 0.039 54.762 54.840 -0.196 0.000 0.827 29 L CB 2.058 44.018 42.059 -0.165 0.000 1.317 29 L HN 1.466 nan 8.230 nan 0.000 0.407 30 A N 2.876 125.016 122.820 -1.134 0.000 2.422 30 A HA 1.005 5.325 4.320 -0.000 0.000 0.302 30 A C -0.410 176.681 177.584 -0.820 0.000 1.041 30 A CA 0.185 51.494 52.037 -1.214 0.000 0.708 30 A CB 1.516 19.316 19.000 -2.001 0.000 1.257 30 A HN 1.371 nan 8.150 nan 0.000 0.414 31 G N 0.801 109.105 108.800 -0.826 0.000 2.342 31 G HA2 0.469 4.429 3.960 -0.000 0.000 0.297 31 G HA3 0.469 4.429 3.960 -0.000 0.000 0.297 31 G C -1.619 172.295 174.900 -1.644 0.000 1.313 31 G CA -0.968 43.413 45.100 -1.198 0.000 0.830 31 G HN 0.735 nan 8.290 nan 0.000 0.506 32 K N 0.049 119.286 120.400 -1.938 0.000 2.276 32 K HA 0.610 4.930 4.320 -0.000 0.000 0.283 32 K C -1.179 174.751 176.600 -1.117 0.000 1.044 32 K CA 0.105 55.684 56.287 -1.181 0.000 0.944 32 K CB 1.101 33.148 32.500 -0.756 0.000 1.012 32 K HN 0.322 nan 8.250 nan 0.000 0.472 33 F N 0.182 120.003 119.950 -0.215 0.000 2.620 33 F HA 0.174 4.701 4.527 -0.000 0.000 0.320 33 F C 1.569 177.389 175.800 0.033 0.000 1.069 33 F CA -1.013 56.968 58.000 -0.032 0.000 0.953 33 F CB 1.907 40.948 39.000 0.069 0.000 1.322 33 F HN 0.487 nan 8.300 nan 0.000 0.479 34 Q N 0.719 120.728 119.800 0.348 0.000 2.435 34 Q HA -0.024 4.316 4.340 -0.000 0.000 0.207 34 Q C -0.836 175.384 176.000 0.366 0.000 0.956 34 Q CA 0.798 56.749 55.803 0.247 0.000 0.917 34 Q CB 0.548 29.387 28.738 0.168 0.000 0.997 34 Q HN 0.577 nan 8.270 nan 0.000 0.497 35 W N -0.509 120.817 121.300 0.042 0.000 3.439 35 W HA 0.408 5.068 4.660 -0.000 0.000 0.323 35 W C -0.390 175.953 176.519 -0.293 0.000 1.174 35 W CA -0.658 56.619 57.345 -0.113 0.000 1.224 35 W CB 1.209 30.564 29.460 -0.175 0.000 1.348 35 W HN 0.033 nan 8.180 nan 0.000 0.498 36 G N 4.355 112.626 108.800 -0.881 0.000 2.631 36 G HA2 0.291 4.250 3.960 -0.000 0.000 0.271 36 G HA3 0.291 4.250 3.960 -0.000 0.000 0.271 36 G C -2.451 171.237 174.900 -2.020 0.000 1.302 36 G CA -0.769 43.737 45.100 -0.990 0.000 1.002 36 G HN 0.225 nan 8.290 nan 0.000 0.519 37 P HA 0.263 nan 4.420 nan 0.000 0.268 37 P C -0.525 176.607 177.300 -0.279 0.000 1.205 37 P CA 0.123 62.927 63.100 -0.494 0.000 0.771 37 P CB 1.019 32.596 31.700 -0.205 0.000 0.858 38 A N 3.946 126.659 122.820 -0.178 0.000 2.301 38 A HA 0.514 4.834 4.320 -0.000 0.000 0.298 38 A C 0.008 177.528 177.584 -0.108 0.000 1.185 38 A CA -0.665 51.252 52.037 -0.199 0.000 0.830 38 A CB -0.722 18.231 19.000 -0.079 0.000 1.112 38 A HN 0.508 nan 8.150 nan 0.000 0.508 39 F N -0.312 119.450 119.950 -0.313 0.000 2.943 39 F HA -0.218 4.309 4.527 -0.000 0.000 0.258 39 F C 0.571 176.104 175.800 -0.445 0.000 0.995 39 F CA 1.455 59.127 58.000 -0.547 0.000 0.896 39 F CB -1.554 37.252 39.000 -0.324 0.000 0.821 39 F HN 0.732 nan 8.300 nan 0.000 0.828 40 Q N 0.317 119.954 119.800 -0.272 0.000 2.315 40 Q HA 0.472 4.812 4.340 -0.000 0.000 0.273 40 Q C -0.002 175.921 176.000 -0.129 0.000 1.053 40 Q CA -1.010 54.731 55.803 -0.104 0.000 0.817 40 Q CB 2.228 30.952 28.738 -0.024 0.000 1.326 40 Q HN 0.176 nan 8.270 nan 0.000 0.423 41 I N 2.214 122.755 120.570 -0.048 0.000 2.528 41 I HA 0.052 4.222 4.170 -0.000 0.000 0.276 41 I C 0.289 176.418 176.117 0.020 0.000 1.056 41 I CA -0.128 61.148 61.300 -0.040 0.000 1.858 41 I CB -1.261 36.730 38.000 -0.016 0.000 1.448 41 I HN 0.322 nan 8.210 nan 0.000 0.776 42 K N 3.118 123.537 120.400 0.031 0.000 2.401 42 K HA 0.021 4.341 4.320 -0.000 0.000 0.278 42 K C 0.061 176.700 176.600 0.065 0.000 1.018 42 K CA 0.255 56.584 56.287 0.069 0.000 0.981 42 K CB 0.511 33.084 32.500 0.120 0.000 0.933 42 K HN 0.428 nan 8.250 nan 0.000 0.477 43 Q N 2.420 122.253 119.800 0.056 0.000 2.227 43 Q HA 0.509 4.849 4.340 -0.000 0.000 0.245 43 Q C -1.241 174.783 176.000 0.040 0.000 0.926 43 Q CA -0.885 54.941 55.803 0.039 0.000 0.895 43 Q CB 1.239 30.003 28.738 0.043 0.000 1.230 43 Q HN 0.405 nan 8.270 nan 0.000 0.450 44 V N 2.571 122.491 119.914 0.010 0.000 2.709 44 V HA 0.328 4.447 4.120 -0.000 0.000 0.308 44 V C -0.115 175.991 176.094 0.021 0.000 1.062 44 V CA -0.404 61.902 62.300 0.010 0.000 0.901 44 V CB 2.127 33.917 31.823 -0.055 0.000 1.003 44 V HN 1.056 nan 8.190 nan 0.000 0.425 45 T N 1.693 116.267 114.554 0.032 0.000 3.028 45 T HA 0.198 4.548 4.350 -0.000 0.000 0.250 45 T C 0.526 175.251 174.700 0.042 0.000 0.979 45 T CA 0.050 62.178 62.100 0.047 0.000 1.004 45 T CB 0.253 69.147 68.868 0.043 0.000 1.120 45 T HN 0.601 nan 8.240 nan 0.000 0.482 46 N N 1.155 119.874 118.700 0.030 0.000 2.502 46 N HA 0.322 5.062 4.740 -0.000 0.000 0.280 46 N C 0.808 176.329 175.510 0.019 0.000 1.223 46 N CA -0.561 52.506 53.050 0.028 0.000 0.966 46 N CB 1.344 39.850 38.487 0.032 0.000 1.203 46 N HN 0.126 nan 8.380 nan 0.000 0.565 47 E N 0.105 120.324 120.200 0.031 0.000 2.021 47 E HA -0.044 4.305 4.350 -0.000 0.000 0.189 47 E C 0.989 177.634 176.600 0.075 0.000 0.980 47 E CA 0.717 57.140 56.400 0.039 0.000 0.803 47 E CB 0.087 29.842 29.700 0.092 0.000 0.766 47 E HN 0.284 nan 8.360 nan 0.000 0.449 48 V N 1.809 121.779 119.914 0.094 0.000 3.140 48 V HA -0.178 3.942 4.120 -0.000 0.000 0.269 48 V C 1.567 177.704 176.094 0.072 0.000 1.149 48 V CA 1.850 64.212 62.300 0.103 0.000 1.162 48 V CB -0.518 31.355 31.823 0.084 0.000 0.756 48 V HN 0.261 nan 8.190 nan 0.000 0.523 49 D N -0.317 120.113 120.400 0.050 0.000 2.392 49 D HA 0.014 4.654 4.640 -0.000 0.000 0.206 49 D C 1.750 178.072 176.300 0.036 0.000 1.046 49 D CA 0.375 54.398 54.000 0.038 0.000 0.865 49 D CB 0.325 41.145 40.800 0.033 0.000 0.969 49 D HN 0.457 nan 8.370 nan 0.000 0.509 50 L N -1.456 119.776 121.223 0.015 0.000 2.202 50 L HA 0.190 4.530 4.340 -0.000 0.000 0.205 50 L C 1.926 178.828 176.870 0.052 0.000 1.083 50 L CA 0.871 55.721 54.840 0.017 0.000 0.790 50 L CB -1.044 40.897 42.059 -0.197 0.000 0.942 50 L HN -0.181 nan 8.230 nan 0.000 0.452 51 V N 1.541 121.497 119.914 0.070 0.000 2.255 51 V HA -0.308 3.812 4.120 -0.000 0.000 0.247 51 V C 2.696 178.828 176.094 0.063 0.000 1.051 51 V CA 2.158 64.553 62.300 0.157 0.000 1.018 51 V CB -1.269 30.676 31.823 0.203 0.000 0.641 51 V HN 0.684 nan 8.190 nan 0.000 0.445 52 N N 0.249 118.973 118.700 0.041 0.000 2.133 52 N HA -0.209 4.531 4.740 -0.000 0.000 0.193 52 N C 1.558 177.048 175.510 -0.033 0.000 1.012 52 N CA 2.623 55.672 53.050 -0.001 0.000 0.871 52 N CB -0.234 38.260 38.487 0.012 0.000 1.011 52 N HN 0.571 nan 8.380 nan 0.000 0.435 53 T N -2.401 112.116 114.554 -0.061 0.000 3.018 53 T HA 0.242 4.592 4.350 -0.000 0.000 0.246 53 T C 0.029 174.380 174.700 -0.580 0.000 1.026 53 T CA 0.248 62.160 62.100 -0.313 0.000 1.081 53 T CB 0.253 68.826 68.868 -0.491 0.000 0.970 53 T HN 0.198 nan 8.240 nan 0.000 0.475 54 F N 0.573 120.472 119.950 -0.086 0.000 2.671 54 F HA 0.431 4.958 4.527 -0.000 0.000 0.384 54 F C 1.755 177.564 175.800 0.015 0.000 1.351 54 F CA -1.098 56.831 58.000 -0.118 0.000 1.151 54 F CB -0.035 38.592 39.000 -0.622 0.000 1.147 54 F HN 0.108 nan 8.300 nan 0.000 0.513 55 G N 0.108 109.017 108.800 0.183 0.000 2.624 55 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.221 55 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.221 55 G C 0.896 175.839 174.900 0.071 0.000 1.169 55 G CA 1.135 46.351 45.100 0.193 0.000 0.771 55 G HN 0.247 nan 8.290 nan 0.000 0.598 56 Q N -0.031 119.636 119.800 -0.222 0.000 2.297 56 Q HA 0.407 4.747 4.340 -0.000 0.000 0.268 56 Q C -2.774 172.891 176.000 -0.558 0.000 1.045 56 Q CA -2.040 53.354 55.803 -0.682 0.000 0.861 56 Q CB 2.224 30.771 28.738 -0.318 0.000 1.344 56 Q HN 0.067 nan 8.270 nan 0.000 0.452 57 P HA 0.120 nan 4.420 nan 0.000 0.295 57 P C -0.365 176.844 177.300 -0.152 0.000 1.354 57 P CA -0.271 62.627 63.100 -0.335 0.000 0.814 57 P CB 0.664 32.128 31.700 -0.394 0.000 0.935 58 T N 0.130 114.658 114.554 -0.043 0.000 2.816 58 T HA 0.420 4.770 4.350 -0.000 0.000 0.282 58 T C 1.348 176.046 174.700 -0.003 0.000 0.993 58 T CA -0.284 61.802 62.100 -0.024 0.000 0.994 58 T CB 0.685 69.554 68.868 0.003 0.000 1.025 58 T HN 0.205 nan 8.240 nan 0.000 0.529 59 A N 0.168 122.985 122.820 -0.005 0.000 2.248 59 A HA 0.100 4.420 4.320 -0.000 0.000 0.210 59 A C 1.895 179.492 177.584 0.023 0.000 1.174 59 A CA 1.399 53.438 52.037 0.004 0.000 0.750 59 A CB -0.895 18.104 19.000 -0.001 0.000 0.780 59 A HN 0.935 nan 8.150 nan 0.000 0.478 60 E N -2.081 118.138 120.200 0.032 0.000 2.511 60 E HA 0.098 4.448 4.350 -0.000 0.000 0.209 60 E C 1.349 177.995 176.600 0.077 0.000 0.986 60 E CA 1.021 57.446 56.400 0.042 0.000 0.974 60 E CB 0.355 30.066 29.700 0.018 0.000 1.030 60 E HN 0.318 nan 8.360 nan 0.000 0.490 61 T N -0.791 113.821 114.554 0.097 0.000 2.999 61 T HA 0.291 4.641 4.350 -0.000 0.000 0.247 61 T C 1.670 176.531 174.700 0.268 0.000 1.012 61 T CA 0.421 62.623 62.100 0.171 0.000 1.048 61 T CB 0.018 68.983 68.868 0.162 0.000 1.020 61 T HN 0.221 nan 8.240 nan 0.000 0.478 62 A N 2.797 125.705 122.820 0.147 0.000 1.861 62 A HA -0.361 3.959 4.320 -0.000 0.000 0.248 62 A C 1.803 179.476 177.584 0.149 0.000 2.075 62 A CA 2.642 54.747 52.037 0.113 0.000 0.818 62 A CB -1.264 17.757 19.000 0.035 0.000 0.844 62 A HN 0.416 nan 8.150 nan 0.000 0.498 63 D N -2.127 118.293 120.400 0.033 0.000 2.354 63 D HA -0.078 4.562 4.640 -0.000 0.000 0.216 63 D C 1.400 177.588 176.300 -0.187 0.000 0.970 63 D CA 1.183 55.112 54.000 -0.118 0.000 0.905 63 D CB -0.239 40.393 40.800 -0.280 0.000 0.903 63 D HN 0.757 nan 8.370 nan 0.000 0.508 64 Y N -1.621 118.737 120.300 0.097 0.000 2.441 64 Y HA 0.114 4.664 4.550 -0.000 0.000 0.288 64 Y C 1.901 178.003 175.900 0.337 0.000 1.118 64 Y CA -0.271 57.898 58.100 0.115 0.000 1.215 64 Y CB -0.444 37.891 38.460 -0.208 0.000 1.118 64 Y HN -0.114 nan 8.280 nan 0.000 0.547 65 F N 0.444 120.628 119.950 0.390 0.000 2.031 65 F HA -0.308 4.219 4.527 -0.000 0.000 0.295 65 F C 2.290 178.168 175.800 0.130 0.000 1.133 65 F CA 1.702 59.833 58.000 0.217 0.000 1.188 65 F CB -0.309 38.752 39.000 0.101 0.000 0.974 65 F HN -0.020 nan 8.300 nan 0.000 0.473 66 M N 0.283 120.146 119.600 0.438 0.000 2.110 66 M HA -0.289 4.191 4.480 -0.000 0.000 0.257 66 M C 2.552 178.953 176.300 0.168 0.000 1.071 66 M CA 2.039 57.508 55.300 0.281 0.000 1.096 66 M CB -1.254 31.462 32.600 0.193 0.000 1.300 66 M HN 0.230 nan 8.290 nan 0.000 0.411 67 S N -0.553 115.227 115.700 0.133 0.000 2.390 67 S HA -0.289 4.181 4.470 -0.000 0.000 0.234 67 S C 1.870 176.525 174.600 0.093 0.000 1.063 67 S CA 1.898 60.160 58.200 0.102 0.000 1.108 67 S CB -0.618 62.620 63.200 0.064 0.000 0.975 67 S HN 0.606 nan 8.310 nan 0.000 0.442 68 A N 1.366 124.197 122.820 0.018 0.000 1.825 68 A HA -0.041 4.278 4.320 -0.000 0.000 0.214 68 A C 2.165 179.769 177.584 0.033 0.000 1.206 68 A CA 1.790 53.787 52.037 -0.067 0.000 0.609 68 A CB -1.062 17.784 19.000 -0.257 0.000 0.851 68 A HN 0.594 nan 8.150 nan 0.000 0.445 69 M N 0.841 120.387 119.600 -0.090 0.000 2.471 69 M HA -0.282 4.198 4.480 -0.000 0.000 0.260 69 M C 1.589 177.963 176.300 0.124 0.000 1.065 69 M CA 2.718 58.017 55.300 -0.001 0.000 1.075 69 M CB -0.703 31.959 32.600 0.103 0.000 1.258 69 M HN 0.684 nan 8.290 nan 0.000 0.457 70 N N 0.357 119.158 118.700 0.168 0.000 2.567 70 N HA -0.133 4.607 4.740 -0.000 0.000 0.195 70 N C 0.877 176.560 175.510 0.288 0.000 1.242 70 N CA 0.690 53.846 53.050 0.177 0.000 0.884 70 N CB -0.945 37.649 38.487 0.178 0.000 1.007 70 N HN 0.639 nan 8.380 nan 0.000 0.450 71 F N 0.187 120.219 119.950 0.137 0.000 2.453 71 F HA 0.256 4.783 4.527 -0.000 0.000 0.284 71 F C 1.502 177.403 175.800 0.168 0.000 1.065 71 F CA -0.174 57.955 58.000 0.215 0.000 1.411 71 F CB 0.058 39.123 39.000 0.110 0.000 1.131 71 F HN -0.115 nan 8.300 nan 0.000 0.582 72 L N 1.603 123.001 121.223 0.292 0.000 2.651 72 L HA -0.166 4.174 4.340 -0.000 0.000 0.236 72 L C 1.995 178.798 176.870 -0.112 0.000 1.173 72 L CA 1.147 56.043 54.840 0.093 0.000 0.843 72 L CB -1.558 40.575 42.059 0.124 0.000 0.964 72 L HN 0.424 nan 8.230 nan 0.000 0.454 73 Q N -0.849 118.831 119.800 -0.200 0.000 2.172 73 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 73 Q C 1.294 176.947 176.000 -0.578 0.000 0.964 73 Q CA 1.370 56.923 55.803 -0.416 0.000 0.855 73 Q CB -0.133 28.253 28.738 -0.588 0.000 0.918 73 Q HN 0.630 nan 8.270 nan 0.000 0.444 74 Y N -0.920 119.200 120.300 -0.300 0.000 2.584 74 Y HA 0.480 5.030 4.550 -0.000 0.000 0.254 74 Y C 1.052 176.679 175.900 -0.455 0.000 1.177 74 Y CA -0.524 57.386 58.100 -0.317 0.000 1.216 74 Y CB 0.530 38.809 38.460 -0.302 0.000 1.172 74 Y HN -0.121 nan 8.280 nan 0.000 0.529 75 G N 0.339 108.899 108.800 -0.399 0.000 2.379 75 G HA2 0.280 4.240 3.960 -0.000 0.000 0.327 75 G HA3 0.280 4.240 3.960 -0.000 0.000 0.327 75 G C -0.114 174.759 174.900 -0.045 0.000 1.145 75 G CA -0.512 44.333 45.100 -0.425 0.000 0.905 75 G HN 0.053 nan 8.290 nan 0.000 0.466 76 N N 0.739 119.472 118.700 0.056 0.000 2.324 76 N HA 0.029 4.769 4.740 -0.000 0.000 0.192 76 N C 0.081 175.666 175.510 0.124 0.000 1.046 76 N CA 0.580 53.675 53.050 0.076 0.000 0.898 76 N CB 0.065 38.591 38.487 0.066 0.000 1.079 76 N HN 0.697 nan 8.380 nan 0.000 0.456 77 D N 0.261 120.759 120.400 0.162 0.000 2.481 77 D HA 0.438 5.078 4.640 -0.000 0.000 0.244 77 D C -1.063 175.317 176.300 0.134 0.000 1.057 77 D CA -0.596 53.481 54.000 0.129 0.000 0.848 77 D CB 2.165 43.015 40.800 0.083 0.000 1.388 77 D HN 0.016 nan 8.370 nan 0.000 0.475 78 L N 1.627 122.873 121.223 0.038 0.000 2.410 78 L HA 0.527 4.867 4.340 -0.000 0.000 0.270 78 L C -1.104 175.705 176.870 -0.101 0.000 0.983 78 L CA -0.456 54.314 54.840 -0.117 0.000 0.822 78 L CB 1.652 43.585 42.059 -0.209 0.000 1.285 78 L HN 0.320 nan 8.230 nan 0.000 0.409 79 R N 4.825 125.261 120.500 -0.107 0.000 2.338 79 R HA 0.688 5.028 4.340 -0.000 0.000 0.317 79 R C -0.709 175.580 176.300 -0.019 0.000 0.968 79 R CA -0.603 55.498 56.100 0.001 0.000 0.849 79 R CB 1.608 32.001 30.300 0.156 0.000 1.128 79 R HN 0.554 nan 8.270 nan 0.000 0.448 80 V N -0.334 119.537 119.914 -0.071 0.000 3.019 80 V HA 0.792 4.912 4.120 -0.000 0.000 0.317 80 V C -0.579 175.437 176.094 -0.129 0.000 1.094 80 V CA -0.761 61.441 62.300 -0.164 0.000 1.000 80 V CB 2.579 34.107 31.823 -0.491 0.000 1.060 80 V HN 0.353 nan 8.190 nan 0.000 0.443 81 V N 3.115 122.898 119.914 -0.218 0.000 2.567 81 V HA 0.494 4.614 4.120 -0.000 0.000 0.298 81 V C -0.064 175.774 176.094 -0.426 0.000 1.047 81 V CA -0.566 61.515 62.300 -0.365 0.000 0.880 81 V CB 1.486 32.985 31.823 -0.540 0.000 1.009 81 V HN 1.075 nan 8.190 nan 0.000 0.429 82 R N 3.511 123.813 120.500 -0.329 0.000 2.347 82 R HA 0.605 4.945 4.340 -0.000 0.000 0.304 82 R C 0.117 175.964 176.300 -0.755 0.000 1.072 82 R CA -0.045 55.856 56.100 -0.330 0.000 0.980 82 R CB 1.051 31.324 30.300 -0.044 0.000 0.986 82 R HN 0.842 nan 8.270 nan 0.000 0.448 83 A N 5.003 127.373 122.820 -0.750 0.000 2.302 83 A HA 0.363 4.683 4.320 -0.000 0.000 0.295 83 A C -0.503 176.772 177.584 -0.515 0.000 1.235 83 A CA -0.515 51.059 52.037 -0.772 0.000 0.876 83 A CB 0.993 19.663 19.000 -0.550 0.000 1.133 83 A HN 0.527 nan 8.150 nan 0.000 0.533 84 V N 2.390 122.039 119.914 -0.441 0.000 2.881 84 V HA 0.287 4.407 4.120 -0.000 0.000 0.316 84 V C -0.218 175.904 176.094 0.046 0.000 1.070 84 V CA -0.569 61.653 62.300 -0.129 0.000 0.976 84 V CB 2.180 33.974 31.823 -0.048 0.000 1.038 84 V HN 1.039 nan 8.190 nan 0.000 0.446 85 D N 1.697 122.112 120.400 0.025 0.000 2.308 85 D HA 0.261 4.901 4.640 -0.000 0.000 0.251 85 D C 0.905 177.245 176.300 0.067 0.000 1.127 85 D CA -0.043 53.987 54.000 0.049 0.000 0.876 85 D CB 1.032 41.841 40.800 0.016 0.000 1.176 85 D HN 0.377 nan 8.370 nan 0.000 0.446 86 R N 1.963 122.507 120.500 0.073 0.000 2.200 86 R HA 0.019 4.359 4.340 -0.000 0.000 0.208 86 R C 0.649 176.947 176.300 -0.003 0.000 1.033 86 R CA 0.600 56.719 56.100 0.033 0.000 1.000 86 R CB 0.330 30.612 30.300 -0.030 0.000 0.906 86 R HN 0.560 nan 8.270 nan 0.000 0.462 87 D N -1.024 119.377 120.400 0.001 0.000 2.289 87 D HA -0.048 4.591 4.640 -0.000 0.000 0.207 87 D C 1.042 177.337 176.300 -0.008 0.000 0.966 87 D CA 1.371 55.366 54.000 -0.008 0.000 0.868 87 D CB 0.664 41.461 40.800 -0.004 0.000 0.943 87 D HN 0.314 nan 8.370 nan 0.000 0.514 88 T N -3.004 111.548 114.554 -0.004 0.000 3.328 88 T HA 0.495 4.845 4.350 -0.000 0.000 0.305 88 T C 0.367 175.063 174.700 -0.006 0.000 0.939 88 T CA -0.504 61.593 62.100 -0.005 0.000 0.950 88 T CB 0.398 69.265 68.868 -0.002 0.000 1.182 88 T HN 0.028 nan 8.240 nan 0.000 0.545 89 A N 1.808 124.623 122.820 -0.007 0.000 2.322 89 A HA 0.766 5.085 4.320 -0.000 0.000 0.269 89 A C -0.198 177.372 177.584 -0.024 0.000 1.094 89 A CA -0.433 51.597 52.037 -0.012 0.000 0.807 89 A CB 0.550 19.543 19.000 -0.011 0.000 1.047 89 A HN 0.251 nan 8.150 nan 0.000 0.487 90 K N 1.325 121.712 120.400 -0.021 0.000 2.501 90 K HA 0.291 4.611 4.320 -0.000 0.000 0.252 90 K C -1.539 175.045 176.600 -0.026 0.000 0.934 90 K CA -0.491 55.778 56.287 -0.029 0.000 0.797 90 K CB 1.769 34.262 32.500 -0.011 0.000 1.270 90 K HN 0.759 nan 8.250 nan 0.000 0.431 91 N N 0.348 119.012 118.700 -0.060 0.000 2.444 91 N HA 0.189 4.929 4.740 -0.000 0.000 0.271 91 N C -0.594 174.911 175.510 -0.008 0.000 1.069 91 N CA -0.050 52.968 53.050 -0.054 0.000 0.965 91 N CB 0.813 39.224 38.487 -0.126 0.000 1.092 91 N HN 0.341 nan 8.380 nan 0.000 0.476 92 S N 0.945 116.674 115.700 0.048 0.000 2.554 92 S HA 0.202 4.671 4.470 -0.000 0.000 0.290 92 S C 0.370 174.996 174.600 0.043 0.000 1.309 92 S CA -0.374 57.862 58.200 0.060 0.000 1.047 92 S CB 0.164 63.422 63.200 0.098 0.000 0.828 92 S HN 0.690 nan 8.310 nan 0.000 0.509 93 S N 0.965 116.694 115.700 0.047 0.000 2.656 93 S HA 0.621 5.091 4.470 -0.000 0.000 0.273 93 S C -3.013 171.611 174.600 0.039 0.000 1.168 93 S CA -1.357 56.880 58.200 0.062 0.000 0.817 93 S CB 1.510 64.783 63.200 0.122 0.000 1.146 93 S HN 0.327 nan 8.310 nan 0.000 0.475 94 P HA 0.351 nan 4.420 nan 0.000 0.245 94 P C 1.071 178.341 177.300 -0.050 0.000 1.203 94 P CA 0.028 63.114 63.100 -0.024 0.000 0.792 94 P CB -0.125 31.523 31.700 -0.087 0.000 0.997 95 I N 0.372 120.920 120.570 -0.037 0.000 2.315 95 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 95 I C 1.942 177.982 176.117 -0.128 0.000 1.117 95 I CA 1.024 62.267 61.300 -0.095 0.000 1.404 95 I CB -0.732 37.259 38.000 -0.016 0.000 1.071 95 I HN -0.138 nan 8.210 nan 0.000 0.419 96 A N -0.106 122.682 122.820 -0.053 0.000 2.281 96 A HA 0.365 4.685 4.320 -0.000 0.000 0.231 96 A C 1.837 179.387 177.584 -0.056 0.000 1.317 96 A CA 0.883 52.892 52.037 -0.048 0.000 0.959 96 A CB -1.210 17.787 19.000 -0.005 0.000 0.900 96 A HN 0.452 nan 8.150 nan 0.000 0.497 97 G N -1.127 107.619 108.800 -0.090 0.000 2.692 97 G HA2 0.050 4.010 3.960 -0.000 0.000 0.201 97 G HA3 0.050 4.010 3.960 -0.000 0.000 0.201 97 G C 0.622 175.447 174.900 -0.124 0.000 1.063 97 G CA -0.250 44.808 45.100 -0.070 0.000 0.790 97 G HN 0.393 nan 8.290 nan 0.000 0.599 98 N N 0.211 118.767 118.700 -0.239 0.000 2.202 98 N HA 0.071 4.811 4.740 -0.000 0.000 0.228 98 N C -0.481 174.891 175.510 -0.230 0.000 1.340 98 N CA 0.396 53.239 53.050 -0.345 0.000 0.865 98 N CB 0.733 38.627 38.487 -0.988 0.000 1.062 98 N HN 0.266 nan 8.380 nan 0.000 0.452 99 I N -0.082 120.415 120.570 -0.121 0.000 2.512 99 I HA 0.117 4.287 4.170 -0.000 0.000 0.287 99 I C -0.392 175.843 176.117 0.196 0.000 1.069 99 I CA -0.664 60.639 61.300 0.006 0.000 1.056 99 I CB 1.170 39.178 38.000 0.012 0.000 1.229 99 I HN 0.286 nan 8.210 nan 0.000 0.429 100 E N 6.862 127.127 120.200 0.107 0.000 2.696 100 E HA -0.050 4.300 4.350 -0.000 0.000 0.270 100 E C -1.501 175.238 176.600 0.232 0.000 0.958 100 E CA 1.158 57.636 56.400 0.131 0.000 0.964 100 E CB 0.266 29.987 29.700 0.034 0.000 0.948 100 E HN 0.577 nan 8.360 nan 0.000 0.472 101 Y N -2.162 118.186 120.300 0.079 0.000 2.521 101 Y HA 0.387 4.937 4.550 -0.000 0.000 0.326 101 Y C -1.461 174.433 175.900 -0.010 0.000 1.176 101 Y CA -0.920 57.200 58.100 0.033 0.000 1.079 101 Y CB 1.016 39.503 38.460 0.045 0.000 1.341 101 Y HN 0.192 nan 8.280 nan 0.000 0.456 102 T N 4.772 119.395 114.554 0.116 0.000 2.949 102 T HA 0.418 4.768 4.350 -0.000 0.000 0.300 102 T C -0.401 174.358 174.700 0.098 0.000 0.988 102 T CA -0.567 61.536 62.100 0.005 0.000 0.993 102 T CB 1.155 70.005 68.868 -0.029 0.000 0.984 102 T HN 0.731 nan 8.240 nan 0.000 0.442 103 I N 3.067 123.696 120.570 0.099 0.000 2.624 103 I HA -0.014 4.156 4.170 -0.000 0.000 0.307 103 I C 1.594 177.727 176.117 0.027 0.000 1.191 103 I CA 0.005 61.347 61.300 0.069 0.000 1.708 103 I CB -0.166 37.866 38.000 0.053 0.000 1.521 103 I HN 0.701 nan 8.210 nan 0.000 0.805 104 S N 2.754 118.471 115.700 0.030 0.000 2.387 104 S HA -0.117 4.353 4.470 -0.000 0.000 0.230 104 S C 0.885 175.495 174.600 0.016 0.000 1.035 104 S CA 1.385 59.598 58.200 0.021 0.000 1.014 104 S CB -0.027 63.189 63.200 0.026 0.000 0.836 104 S HN 0.675 nan 8.310 nan 0.000 0.466 105 T N 2.494 117.057 114.554 0.016 0.000 3.066 105 T HA 0.352 4.702 4.350 -0.000 0.000 0.318 105 T C -3.040 171.667 174.700 0.012 0.000 0.979 105 T CA -1.206 60.906 62.100 0.019 0.000 1.025 105 T CB 1.898 70.783 68.868 0.029 0.000 1.002 105 T HN -0.111 nan 8.240 nan 0.000 0.453 106 P HA 0.230 nan 4.420 nan 0.000 0.264 106 P C 0.761 178.092 177.300 0.052 0.000 1.193 106 P CA 0.124 63.227 63.100 0.005 0.000 0.763 106 P CB 0.506 32.217 31.700 0.018 0.000 0.810 107 G N 2.281 111.123 108.800 0.071 0.000 2.468 107 G HA2 0.442 4.402 3.960 -0.000 0.000 0.264 107 G HA3 0.442 4.402 3.960 -0.000 0.000 0.264 107 G C -0.345 174.724 174.900 0.282 0.000 1.460 107 G CA -0.130 45.164 45.100 0.324 0.000 1.060 107 G HN 0.626 nan 8.290 nan 0.000 0.543 108 S N -2.589 113.289 115.700 0.296 0.000 2.618 108 S HA 0.417 4.887 4.470 -0.000 0.000 0.277 108 S C 0.083 174.711 174.600 0.047 0.000 1.138 108 S CA -0.235 58.052 58.200 0.146 0.000 0.844 108 S CB 1.813 65.051 63.200 0.063 0.000 1.127 108 S HN 0.700 nan 8.310 nan 0.000 0.474 109 N N -0.493 118.222 118.700 0.025 0.000 2.681 109 N HA -0.169 4.571 4.740 -0.000 0.000 0.250 109 N C -0.849 174.596 175.510 -0.108 0.000 1.133 109 N CA 1.178 54.199 53.050 -0.049 0.000 0.732 109 N CB -1.726 36.702 38.487 -0.100 0.000 1.107 109 N HN 0.705 nan 8.380 nan 0.000 0.559 110 Y N 0.091 120.396 120.300 0.007 0.000 2.289 110 Y HA 0.552 5.101 4.550 -0.000 0.000 0.332 110 Y C 1.172 177.076 175.900 0.007 0.000 1.324 110 Y CA 0.383 58.486 58.100 0.006 0.000 1.478 110 Y CB 0.731 39.195 38.460 0.006 0.000 1.378 110 Y HN 0.153 nan 8.280 nan 0.000 0.558 111 A N -0.430 122.507 122.820 0.195 0.000 2.507 111 A HA 0.557 4.877 4.320 -0.000 0.000 0.284 111 A C 0.140 177.778 177.584 0.090 0.000 1.281 111 A CA -0.521 51.579 52.037 0.105 0.000 0.744 111 A CB 0.306 19.343 19.000 0.063 0.000 1.332 111 A HN 0.468 nan 8.150 nan 0.000 0.454 112 V N -0.091 119.859 119.914 0.059 0.000 2.871 112 V HA 0.137 4.257 4.120 -0.000 0.000 0.256 112 V C 1.570 177.684 176.094 0.034 0.000 1.082 112 V CA 1.983 64.309 62.300 0.044 0.000 1.105 112 V CB 0.039 31.884 31.823 0.037 0.000 0.713 112 V HN 1.082 nan 8.190 nan 0.000 0.473 113 G N -0.598 108.222 108.800 0.034 0.000 4.432 113 G HA2 0.184 4.144 3.960 -0.000 0.000 0.294 113 G HA3 0.184 4.144 3.960 -0.000 0.000 0.294 113 G C -0.539 174.379 174.900 0.029 0.000 1.141 113 G CA -0.334 44.780 45.100 0.023 0.000 0.895 113 G HN 0.263 nan 8.290 nan 0.000 0.548 114 D N 1.590 122.017 120.400 0.045 0.000 2.348 114 D HA 0.204 4.844 4.640 -0.000 0.000 0.253 114 D C 0.450 176.772 176.300 0.037 0.000 1.161 114 D CA 0.388 54.424 54.000 0.060 0.000 0.876 114 D CB 1.490 42.364 40.800 0.123 0.000 1.160 114 D HN 0.142 nan 8.370 nan 0.000 0.459 115 K N 2.006 122.424 120.400 0.030 0.000 2.185 115 K HA 0.468 4.788 4.320 -0.000 0.000 0.271 115 K C 0.179 176.786 176.600 0.012 0.000 1.013 115 K CA -0.471 55.824 56.287 0.014 0.000 0.943 115 K CB 1.396 33.903 32.500 0.012 0.000 0.998 115 K HN 0.342 nan 8.250 nan 0.000 0.468 116 I N 0.821 121.388 120.570 -0.005 0.000 2.603 116 I HA 0.262 4.431 4.170 -0.000 0.000 0.300 116 I C -0.284 175.836 176.117 0.004 0.000 1.017 116 I CA -0.735 60.559 61.300 -0.010 0.000 1.098 116 I CB 2.333 40.305 38.000 -0.046 0.000 1.279 116 I HN 0.446 nan 8.210 nan 0.000 0.437 117 T N 4.081 118.646 114.554 0.018 0.000 2.879 117 T HA 0.417 4.767 4.350 -0.000 0.000 0.290 117 T C -0.561 174.172 174.700 0.055 0.000 0.993 117 T CA -0.446 61.675 62.100 0.035 0.000 0.975 117 T CB 1.838 70.727 68.868 0.035 0.000 0.981 117 T HN 0.184 nan 8.240 nan 0.000 0.439 118 V N 4.587 124.549 119.914 0.081 0.000 2.370 118 V HA 0.445 4.565 4.120 -0.000 0.000 0.279 118 V C 0.084 176.274 176.094 0.159 0.000 1.029 118 V CA -0.769 61.612 62.300 0.135 0.000 0.870 118 V CB 0.995 32.919 31.823 0.168 0.000 0.984 118 V HN 0.712 nan 8.190 nan 0.000 0.451 119 K N 3.542 124.028 120.400 0.144 0.000 2.156 119 K HA 0.519 4.839 4.320 -0.000 0.000 0.254 119 K C -1.323 175.319 176.600 0.070 0.000 0.950 119 K CA -0.883 55.461 56.287 0.095 0.000 0.849 119 K CB 2.042 34.568 32.500 0.043 0.000 1.100 119 K HN 0.579 nan 8.250 nan 0.000 0.434 120 Y N 2.572 122.729 120.300 -0.238 0.000 2.491 120 Y HA 0.164 4.714 4.550 -0.000 0.000 0.334 120 Y C -0.538 175.150 175.900 -0.354 0.000 0.969 120 Y CA -1.533 56.228 58.100 -0.565 0.000 1.241 120 Y CB -0.088 37.890 38.460 -0.804 0.000 1.105 120 Y HN 0.398 nan 8.280 nan 0.000 0.503 121 V N 4.703 124.444 119.914 -0.287 0.000 5.981 121 V HA -0.294 3.826 4.120 -0.000 0.000 0.233 121 V C 0.835 176.810 176.094 -0.198 0.000 0.653 121 V CA 1.186 63.309 62.300 -0.295 0.000 0.677 121 V CB -2.459 29.068 31.823 -0.493 0.000 0.632 121 V HN 0.954 nan 8.190 nan 0.000 0.464 122 S N -0.229 115.407 115.700 -0.106 0.000 3.521 122 S HA -0.207 4.263 4.470 -0.000 0.000 0.362 122 S C 0.124 174.683 174.600 -0.069 0.000 1.044 122 S CA 1.507 59.666 58.200 -0.068 0.000 1.091 122 S CB -0.599 62.563 63.200 -0.063 0.000 0.908 122 S HN 1.057 nan 8.310 nan 0.000 0.473 123 D N 0.868 121.225 120.400 -0.071 0.000 2.863 123 D HA 0.331 4.971 4.640 -0.000 0.000 0.245 123 D C -1.099 175.201 176.300 0.002 0.000 1.211 123 D CA -0.564 53.406 54.000 -0.049 0.000 0.888 123 D CB 1.295 42.039 40.800 -0.094 0.000 1.483 123 D HN -0.044 nan 8.370 nan 0.000 0.533 124 D N 3.520 123.931 120.400 0.017 0.000 2.417 124 D HA 0.112 4.752 4.640 -0.000 0.000 0.250 124 D C 1.184 177.525 176.300 0.068 0.000 1.166 124 D CA -0.103 53.923 54.000 0.043 0.000 0.881 124 D CB 1.251 42.070 40.800 0.032 0.000 1.164 124 D HN 0.312 nan 8.370 nan 0.000 0.467 125 I N 0.621 121.254 120.570 0.104 0.000 3.345 125 I HA 0.099 4.268 4.170 -0.000 0.000 0.258 125 I C 0.672 176.852 176.117 0.106 0.000 1.134 125 I CA 0.361 61.742 61.300 0.134 0.000 1.457 125 I CB -0.310 37.832 38.000 0.237 0.000 1.425 125 I HN 0.266 nan 8.210 nan 0.000 0.461 126 E N 1.437 121.700 120.200 0.105 0.000 2.222 126 E HA 0.375 4.725 4.350 -0.000 0.000 0.267 126 E C -0.075 176.555 176.600 0.050 0.000 0.884 126 E CA -0.164 56.277 56.400 0.069 0.000 0.764 126 E CB 1.427 31.168 29.700 0.067 0.000 1.169 126 E HN 0.220 nan 8.360 nan 0.000 0.413 127 T N 0.852 115.424 114.554 0.030 0.000 3.399 127 T HA 0.301 4.651 4.350 -0.000 0.000 0.305 127 T C -0.033 174.671 174.700 0.007 0.000 0.983 127 T CA -0.488 61.625 62.100 0.021 0.000 0.967 127 T CB 0.071 68.952 68.868 0.021 0.000 1.186 127 T HN 0.280 nan 8.240 nan 0.000 0.504 128 E N 1.167 121.367 120.200 -0.000 0.000 2.583 128 E HA 0.334 4.684 4.350 -0.000 0.000 0.213 128 E C 1.182 177.768 176.600 -0.023 0.000 0.989 128 E CA -0.183 56.209 56.400 -0.014 0.000 0.991 128 E CB 0.679 30.365 29.700 -0.023 0.000 1.040 128 E HN 0.698 nan 8.360 nan 0.000 0.481 129 G N 1.978 110.766 108.800 -0.020 0.000 2.699 129 G HA2 0.263 4.223 3.960 -0.000 0.000 0.246 129 G HA3 0.263 4.223 3.960 -0.000 0.000 0.246 129 G C -0.181 174.700 174.900 -0.032 0.000 1.219 129 G CA -0.166 44.914 45.100 -0.034 0.000 0.866 129 G HN 0.090 nan 8.290 nan 0.000 0.572 130 K N 0.166 120.539 120.400 -0.043 0.000 2.584 130 K HA 0.244 4.564 4.320 -0.000 0.000 0.260 130 K C -0.787 175.789 176.600 -0.040 0.000 0.949 130 K CA -0.950 55.319 56.287 -0.030 0.000 0.888 130 K CB 0.882 33.374 32.500 -0.013 0.000 1.330 130 K HN 0.355 nan 8.250 nan 0.000 0.432 131 I N 2.571 123.115 120.570 -0.043 0.000 2.948 131 I HA -0.158 4.012 4.170 -0.000 0.000 0.303 131 I C 1.045 177.156 176.117 -0.010 0.000 1.224 131 I CA 1.004 62.276 61.300 -0.047 0.000 1.442 131 I CB 0.511 38.487 38.000 -0.039 0.000 1.328 131 I HN 1.023 nan 8.210 nan 0.000 0.578 132 T N 0.455 115.008 114.554 -0.002 0.000 3.041 132 T HA 0.229 4.579 4.350 -0.000 0.000 0.276 132 T C 0.110 174.829 174.700 0.031 0.000 0.948 132 T CA -0.402 61.713 62.100 0.025 0.000 0.885 132 T CB 0.301 69.196 68.868 0.046 0.000 1.175 132 T HN 0.678 nan 8.240 nan 0.000 0.529 133 E N 1.372 121.585 120.200 0.021 0.000 2.313 133 E HA 0.494 4.844 4.350 -0.000 0.000 0.280 133 E C -1.186 175.426 176.600 0.021 0.000 0.898 133 E CA -0.724 55.691 56.400 0.026 0.000 0.803 133 E CB 2.403 32.118 29.700 0.026 0.000 1.286 133 E HN 0.280 nan 8.360 nan 0.000 0.401 134 V N 0.790 120.723 119.914 0.031 0.000 3.103 134 V HA 0.650 4.770 4.120 -0.000 0.000 0.318 134 V C 0.028 176.144 176.094 0.036 0.000 1.114 134 V CA -0.677 61.645 62.300 0.038 0.000 1.020 134 V CB 1.644 33.505 31.823 0.062 0.000 1.085 134 V HN 0.756 nan 8.190 nan 0.000 0.446 135 D N 1.312 121.735 120.400 0.038 0.000 2.481 135 D HA 0.523 5.163 4.640 -0.000 0.000 0.283 135 D C 1.171 177.491 176.300 0.034 0.000 1.192 135 D CA 0.139 54.158 54.000 0.032 0.000 1.100 135 D CB 0.546 41.363 40.800 0.027 0.000 1.166 135 D HN 0.752 nan 8.370 nan 0.000 0.584 136 A N -0.920 121.917 122.820 0.029 0.000 2.067 136 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 136 A C 1.104 178.705 177.584 0.028 0.000 1.156 136 A CA 1.147 53.199 52.037 0.026 0.000 0.683 136 A CB -0.419 18.594 19.000 0.020 0.000 0.808 136 A HN 0.436 nan 8.150 nan 0.000 0.455 137 D N -1.529 118.891 120.400 0.034 0.000 2.369 137 D HA 0.280 4.920 4.640 -0.000 0.000 0.211 137 D C 1.298 177.631 176.300 0.054 0.000 1.077 137 D CA 0.961 54.983 54.000 0.036 0.000 0.842 137 D CB 0.291 41.111 40.800 0.035 0.000 0.947 137 D HN 0.534 nan 8.370 nan 0.000 0.509 138 G N 1.307 110.148 108.800 0.069 0.000 2.157 138 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.248 138 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.248 138 G C 0.218 175.214 174.900 0.160 0.000 0.979 138 G CA -0.260 44.908 45.100 0.114 0.000 0.650 138 G HN 0.299 nan 8.290 nan 0.000 0.529 139 K N 0.692 121.155 120.400 0.105 0.000 2.447 139 K HA 0.304 4.624 4.320 -0.000 0.000 0.281 139 K C 1.048 177.676 176.600 0.048 0.000 1.031 139 K CA -0.029 56.309 56.287 0.085 0.000 1.019 139 K CB 0.548 33.080 32.500 0.053 0.000 0.918 139 K HN 0.380 nan 8.250 nan 0.000 0.476 140 I N 4.699 125.267 120.570 -0.004 0.000 2.505 140 I HA -0.074 4.096 4.170 -0.000 0.000 0.287 140 I C 1.202 177.303 176.117 -0.027 0.000 1.104 140 I CA 0.149 61.409 61.300 -0.066 0.000 1.387 140 I CB 0.393 38.268 38.000 -0.208 0.000 1.404 140 I HN 0.527 nan 8.210 nan 0.000 0.528 141 K N 5.149 125.544 120.400 -0.008 0.000 2.313 141 K HA 0.217 4.537 4.320 -0.000 0.000 0.197 141 K C 0.425 177.034 176.600 0.016 0.000 1.061 141 K CA 0.571 56.860 56.287 0.004 0.000 0.980 141 K CB 0.550 33.054 32.500 0.007 0.000 0.888 141 K HN 0.515 nan 8.250 nan 0.000 0.502 142 K N 0.976 121.386 120.400 0.016 0.000 2.542 142 K HA 0.326 4.646 4.320 -0.000 0.000 0.259 142 K C -1.282 175.317 176.600 -0.002 0.000 0.932 142 K CA -0.516 55.797 56.287 0.042 0.000 0.820 142 K CB 1.635 34.155 32.500 0.034 0.000 1.345 142 K HN 0.035 nan 8.250 nan 0.000 0.432 143 I N -0.368 120.174 120.570 -0.045 0.000 3.206 143 I HA 0.618 4.788 4.170 -0.000 0.000 0.313 143 I C -1.469 174.573 176.117 -0.124 0.000 1.103 143 I CA -0.890 60.317 61.300 -0.156 0.000 0.985 143 I CB 2.446 40.246 38.000 -0.332 0.000 1.240 143 I HN 0.561 nan 8.210 nan 0.000 0.464 144 N N 2.928 121.573 118.700 -0.091 0.000 2.571 144 N HA 0.439 5.179 4.740 -0.000 0.000 0.286 144 N C -1.843 173.652 175.510 -0.024 0.000 1.138 144 N CA -0.358 52.701 53.050 0.015 0.000 0.859 144 N CB 1.909 40.470 38.487 0.123 0.000 1.414 144 N HN 0.648 nan 8.380 nan 0.000 0.529 145 I N 3.932 124.486 120.570 -0.025 0.000 2.312 145 I HA 0.350 4.520 4.170 -0.000 0.000 0.290 145 I C -2.087 174.032 176.117 0.003 0.000 1.008 145 I CA -2.006 59.278 61.300 -0.027 0.000 1.226 145 I CB 1.578 39.551 38.000 -0.045 0.000 1.371 145 I HN 0.207 nan 8.210 nan 0.000 0.468 146 P HA 0.101 nan 4.420 nan 0.000 0.271 146 P C 0.570 177.860 177.300 -0.017 0.000 1.216 146 P CA -0.177 62.906 63.100 -0.027 0.000 0.776 146 P CB 0.665 32.336 31.700 -0.048 0.000 0.881 147 T N -1.633 112.909 114.554 -0.020 0.000 3.044 147 T HA 0.310 4.660 4.350 -0.000 0.000 0.260 147 T C 1.518 176.208 174.700 -0.017 0.000 1.019 147 T CA 0.335 62.420 62.100 -0.025 0.000 0.921 147 T CB -0.306 68.539 68.868 -0.039 0.000 1.053 147 T HN 0.224 nan 8.240 nan 0.000 0.533 148 A N 3.192 126.005 122.820 -0.013 0.000 1.859 148 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 148 A C 2.347 179.930 177.584 -0.001 0.000 1.198 148 A CA 1.861 53.893 52.037 -0.009 0.000 0.629 148 A CB -0.619 18.373 19.000 -0.012 0.000 0.830 148 A HN 0.559 nan 8.150 nan 0.000 0.446 149 K N -0.295 120.112 120.400 0.011 0.000 2.057 149 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 149 K C 1.916 178.548 176.600 0.052 0.000 1.050 149 K CA 1.593 57.900 56.287 0.034 0.000 0.935 149 K CB -0.439 32.090 32.500 0.047 0.000 0.715 149 K HN 0.753 nan 8.250 nan 0.000 0.439 150 I N 0.494 121.085 120.570 0.035 0.000 2.233 150 I HA -0.166 4.004 4.170 -0.000 0.000 0.243 150 I C 2.562 178.634 176.117 -0.075 0.000 1.093 150 I CA 1.096 62.403 61.300 0.011 0.000 1.380 150 I CB -0.932 37.028 38.000 -0.068 0.000 1.067 150 I HN 0.078 nan 8.210 nan 0.000 0.413 151 I N 1.182 121.720 120.570 -0.054 0.000 2.454 151 I HA -0.137 4.033 4.170 -0.000 0.000 0.254 151 I C 2.680 178.774 176.117 -0.038 0.000 1.156 151 I CA 1.486 62.790 61.300 0.007 0.000 1.433 151 I CB -0.467 37.587 38.000 0.089 0.000 1.082 151 I HN 0.150 nan 8.210 nan 0.000 0.432 152 A N 2.010 124.816 122.820 -0.024 0.000 1.828 152 A HA -0.252 4.068 4.320 -0.000 0.000 0.215 152 A C 2.362 179.962 177.584 0.026 0.000 1.203 152 A CA 2.327 54.353 52.037 -0.020 0.000 0.614 152 A CB -0.891 18.111 19.000 0.004 0.000 0.844 152 A HN 0.457 nan 8.150 nan 0.000 0.445 153 K N 0.062 120.519 120.400 0.094 0.000 2.127 153 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 153 K C 1.909 178.625 176.600 0.193 0.000 1.047 153 K CA 2.019 58.411 56.287 0.175 0.000 0.927 153 K CB -0.590 32.084 32.500 0.290 0.000 0.716 153 K HN 0.400 nan 8.250 nan 0.000 0.450 154 A N 0.521 123.427 122.820 0.144 0.000 1.873 154 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 154 A C 2.012 179.665 177.584 0.115 0.000 1.186 154 A CA 1.787 53.894 52.037 0.116 0.000 0.616 154 A CB -0.468 18.448 19.000 -0.139 0.000 0.823 154 A HN 0.359 nan 8.150 nan 0.000 0.442 155 K N -0.442 119.966 120.400 0.014 0.000 2.063 155 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 155 K C 2.058 178.659 176.600 0.002 0.000 1.048 155 K CA 1.601 57.839 56.287 -0.082 0.000 0.928 155 K CB -0.139 32.195 32.500 -0.276 0.000 0.713 155 K HN 0.735 nan 8.250 nan 0.000 0.442 156 E N 1.053 121.272 120.200 0.031 0.000 2.333 156 E HA -0.128 4.222 4.350 -0.000 0.000 0.198 156 E C 0.663 177.317 176.600 0.090 0.000 1.007 156 E CA 1.118 57.551 56.400 0.054 0.000 0.845 156 E CB 0.327 30.067 29.700 0.067 0.000 0.766 156 E HN 0.191 nan 8.360 nan 0.000 0.507 157 V N -3.620 116.369 119.914 0.124 0.000 2.925 157 V HA 0.525 4.645 4.120 -0.000 0.000 0.361 157 V C 0.842 177.028 176.094 0.152 0.000 1.361 157 V CA 0.016 62.409 62.300 0.155 0.000 1.184 157 V CB 0.048 32.014 31.823 0.239 0.000 1.245 157 V HN 0.198 nan 8.190 nan 0.000 0.575 158 G N 1.134 110.008 108.800 0.122 0.000 2.270 158 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.268 158 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.268 158 G C 0.309 175.292 174.900 0.138 0.000 0.982 158 G CA 0.793 45.963 45.100 0.117 0.000 0.628 158 G HN 0.710 nan 8.290 nan 0.000 0.544 159 E N -0.186 120.116 120.200 0.170 0.000 2.452 159 E HA 0.395 4.745 4.350 -0.000 0.000 0.293 159 E C -0.597 176.060 176.600 0.095 0.000 1.535 159 E CA -0.375 56.123 56.400 0.165 0.000 1.816 159 E CB 0.082 29.969 29.700 0.312 0.000 1.494 159 E HN 0.568 nan 8.360 nan 0.000 0.464 160 Y N 0.579 120.857 120.300 -0.037 0.000 2.373 160 Y HA 0.320 4.870 4.550 -0.000 0.000 0.336 160 Y C -2.266 173.599 175.900 -0.059 0.000 0.979 160 Y CA -2.222 55.826 58.100 -0.087 0.000 1.080 160 Y CB 1.809 40.223 38.460 -0.077 0.000 1.190 160 Y HN -0.003 nan 8.280 nan 0.000 0.446 161 P HA 0.109 nan 4.420 nan 0.000 0.266 161 P C 1.030 178.113 177.300 -0.362 0.000 1.381 161 P CA 0.444 63.084 63.100 -0.767 0.000 0.940 161 P CB 0.342 31.511 31.700 -0.885 0.000 1.435 162 T N -0.349 114.084 114.554 -0.201 0.000 2.493 162 T HA -0.263 4.087 4.350 -0.000 0.000 0.256 162 T C 1.260 175.889 174.700 -0.118 0.000 1.195 162 T CA 1.053 63.090 62.100 -0.106 0.000 1.183 162 T CB -1.133 67.722 68.868 -0.021 0.000 0.863 162 T HN 0.046 nan 8.240 nan 0.000 0.418 163 L N -0.271 120.883 121.223 -0.116 0.000 7.692 163 L HA -0.195 4.145 4.340 -0.000 0.000 0.063 163 L C 1.878 178.820 176.870 0.120 0.000 1.303 163 L CA 1.100 55.828 54.840 -0.186 0.000 1.475 163 L CB -1.741 40.029 42.059 -0.483 0.000 2.877 163 L HN 0.908 nan 8.230 nan 0.000 1.176 164 G N -1.548 107.352 108.800 0.167 0.000 3.329 164 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.220 164 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.220 164 G C 0.903 175.956 174.900 0.255 0.000 1.358 164 G CA 1.488 46.701 45.100 0.189 0.000 0.856 164 G HN 0.845 nan 8.290 nan 0.000 0.551 165 S N 0.843 116.703 115.700 0.266 0.000 2.345 165 S HA -0.020 4.450 4.470 -0.000 0.000 0.219 165 S C 1.843 176.538 174.600 0.159 0.000 1.031 165 S CA 1.819 60.126 58.200 0.179 0.000 0.984 165 S CB -0.251 63.038 63.200 0.147 0.000 0.874 165 S HN 0.630 nan 8.310 nan 0.000 0.451 166 N N -0.498 118.302 118.700 0.167 0.000 2.236 166 N HA 0.111 4.851 4.740 -0.000 0.000 0.196 166 N C -1.042 174.450 175.510 -0.029 0.000 1.114 166 N CA 0.020 53.094 53.050 0.040 0.000 0.859 166 N CB 0.055 38.567 38.487 0.041 0.000 0.982 166 N HN 0.402 nan 8.380 nan 0.000 0.493 167 W N 2.207 123.594 121.300 0.145 0.000 2.338 167 W HA 0.368 5.027 4.660 -0.000 0.000 0.307 167 W C 0.560 177.125 176.519 0.077 0.000 1.167 167 W CA -0.363 57.044 57.345 0.103 0.000 1.208 167 W CB 0.971 30.446 29.460 0.025 0.000 1.228 167 W HN -0.165 nan 8.180 nan 0.000 0.499 168 T N 0.008 114.718 114.554 0.260 0.000 2.896 168 T HA 0.888 5.238 4.350 -0.000 0.000 0.297 168 T C -0.938 173.847 174.700 0.142 0.000 1.108 168 T CA -1.146 61.051 62.100 0.162 0.000 1.004 168 T CB 1.990 70.916 68.868 0.097 0.000 1.159 168 T HN 0.583 nan 8.240 nan 0.000 0.499 169 A N 1.760 124.640 122.820 0.099 0.000 2.381 169 A HA 0.771 5.091 4.320 -0.000 0.000 0.299 169 A C -0.376 177.235 177.584 0.045 0.000 1.049 169 A CA -0.885 51.194 52.037 0.069 0.000 0.715 169 A CB 1.068 20.099 19.000 0.051 0.000 1.222 169 A HN 1.069 nan 8.150 nan 0.000 0.428 170 E N 3.068 123.292 120.200 0.039 0.000 2.339 170 E HA 0.747 5.097 4.350 -0.000 0.000 0.262 170 E C -0.787 175.832 176.600 0.031 0.000 0.934 170 E CA -0.907 55.515 56.400 0.036 0.000 0.802 170 E CB 1.183 30.908 29.700 0.041 0.000 1.275 170 E HN 0.397 nan 8.360 nan 0.000 0.427 171 I N 0.581 121.181 120.570 0.049 0.000 3.223 171 I HA 0.165 4.335 4.170 -0.000 0.000 0.317 171 I C 0.997 177.155 176.117 0.068 0.000 1.050 171 I CA -0.762 60.577 61.300 0.066 0.000 1.069 171 I CB 1.192 39.282 38.000 0.150 0.000 1.406 171 I HN 0.602 nan 8.210 nan 0.000 0.596 172 S N 1.118 116.863 115.700 0.076 0.000 2.569 172 S HA 0.029 4.499 4.470 -0.000 0.000 0.274 172 S C 0.336 174.968 174.600 0.053 0.000 1.353 172 S CA -0.287 57.946 58.200 0.056 0.000 1.023 172 S CB 0.194 63.428 63.200 0.056 0.000 0.876 172 S HN 0.677 nan 8.310 nan 0.000 0.540 173 S N 2.195 117.916 115.700 0.034 0.000 2.217 173 S HA 0.590 5.060 4.470 -0.000 0.000 0.168 173 S C -0.464 174.145 174.600 0.014 0.000 1.526 173 S CA -0.545 57.670 58.200 0.025 0.000 1.150 173 S CB -0.182 63.030 63.200 0.021 0.000 1.158 173 S HN 0.731 nan 8.310 nan 0.000 0.473 174 S N 0.808 116.515 115.700 0.011 0.000 2.638 174 S HA 0.789 5.259 4.470 -0.000 0.000 0.274 174 S C -0.091 174.516 174.600 0.012 0.000 1.157 174 S CA -0.587 57.623 58.200 0.018 0.000 0.826 174 S CB 0.845 64.049 63.200 0.006 0.000 1.139 174 S HN 0.991 nan 8.310 nan 0.000 0.474 175 S N 0.899 116.616 115.700 0.029 0.000 2.606 175 S HA 0.277 4.747 4.470 -0.000 0.000 0.257 175 S C 1.167 175.728 174.600 -0.065 0.000 1.327 175 S CA 0.156 58.366 58.200 0.015 0.000 0.984 175 S CB 0.011 63.272 63.200 0.103 0.000 0.941 175 S HN 0.791 nan 8.310 nan 0.000 0.576 176 S N 1.023 116.681 115.700 -0.070 0.000 2.365 176 S HA 0.101 4.571 4.470 -0.000 0.000 0.225 176 S C 1.169 175.654 174.600 -0.191 0.000 1.039 176 S CA 1.118 59.259 58.200 -0.098 0.000 1.033 176 S CB -1.005 62.155 63.200 -0.067 0.000 0.887 176 S HN 1.075 nan 8.310 nan 0.000 0.447 177 G N 0.357 108.939 108.800 -0.364 0.000 2.509 177 G HA2 0.679 4.639 3.960 -0.000 0.000 0.328 177 G HA3 0.679 4.639 3.960 -0.000 0.000 0.328 177 G C -0.388 173.907 174.900 -1.008 0.000 1.194 177 G CA -0.909 43.840 45.100 -0.584 0.000 0.967 177 G HN 0.360 nan 8.290 nan 0.000 0.488 178 L N -2.149 118.681 121.223 -0.655 0.000 2.422 178 L HA 0.783 5.123 4.340 -0.000 0.000 0.263 178 L C 1.332 178.248 176.870 0.076 0.000 1.110 178 L CA -0.313 54.346 54.840 -0.303 0.000 1.065 178 L CB 1.092 43.070 42.059 -0.134 0.000 1.701 178 L HN 1.551 nan 8.230 nan 0.000 0.548 179 A N -1.127 121.780 122.820 0.146 0.000 3.661 179 A HA -0.141 4.179 4.320 -0.000 0.000 0.269 179 A C 0.738 178.433 177.584 0.184 0.000 1.056 179 A CA 0.892 53.027 52.037 0.163 0.000 1.159 179 A CB -2.575 16.497 19.000 0.120 0.000 1.105 179 A HN 1.790 nan 8.150 nan 0.000 0.907 180 A N -0.875 122.101 122.820 0.259 0.000 2.287 180 A HA 0.652 4.972 4.320 -0.000 0.000 0.273 180 A C 0.185 177.788 177.584 0.032 0.000 1.091 180 A CA 0.498 52.575 52.037 0.066 0.000 0.817 180 A CB 0.964 19.823 19.000 -0.235 0.000 1.069 180 A HN 1.443 nan 8.150 nan 0.000 0.492 181 V N 2.406 122.318 119.914 -0.004 0.000 2.568 181 V HA 0.242 4.362 4.120 -0.000 0.000 0.276 181 V C -0.753 175.347 176.094 0.010 0.000 1.002 181 V CA 0.056 62.364 62.300 0.013 0.000 0.879 181 V CB 0.750 32.590 31.823 0.028 0.000 1.040 181 V HN 0.699 nan 8.190 nan 0.000 0.457 182 I N 3.078 123.653 120.570 0.008 0.000 2.385 182 I HA 0.532 4.702 4.170 -0.000 0.000 0.294 182 I C 0.310 176.465 176.117 0.064 0.000 0.988 182 I CA -0.029 61.291 61.300 0.034 0.000 1.265 182 I CB 1.859 39.853 38.000 -0.010 0.000 1.388 182 I HN 0.415 nan 8.210 nan 0.000 0.480 183 T N 7.039 121.651 114.554 0.097 0.000 2.809 183 T HA 0.507 4.857 4.350 -0.000 0.000 0.284 183 T C -0.236 174.536 174.700 0.120 0.000 0.992 183 T CA -0.500 61.656 62.100 0.093 0.000 0.957 183 T CB 0.932 69.841 68.868 0.069 0.000 0.942 183 T HN 0.278 nan 8.240 nan 0.000 0.439 184 L N 3.120 124.413 121.223 0.117 0.000 2.276 184 L HA 0.606 4.946 4.340 -0.000 0.000 0.286 184 L C 1.162 178.082 176.870 0.083 0.000 1.061 184 L CA -0.412 54.500 54.840 0.120 0.000 0.807 184 L CB 1.018 43.154 42.059 0.129 0.000 1.177 184 L HN 0.778 nan 8.230 nan 0.000 0.429 185 G N 3.276 112.111 108.800 0.059 0.000 3.075 185 G HA2 0.398 4.358 3.960 -0.000 0.000 0.156 185 G HA3 0.398 4.358 3.960 -0.000 0.000 0.156 185 G C -0.441 174.431 174.900 -0.048 0.000 1.403 185 G CA -0.532 44.576 45.100 0.013 0.000 1.033 185 G HN 0.539 nan 8.290 nan 0.000 0.589 186 K N -0.488 119.866 120.400 -0.077 0.000 2.177 186 K HA 0.478 4.798 4.320 -0.000 0.000 0.238 186 K C -0.591 175.904 176.600 -0.175 0.000 1.015 186 K CA -0.843 55.351 56.287 -0.156 0.000 0.922 186 K CB 1.473 33.882 32.500 -0.152 0.000 1.127 186 K HN 0.064 nan 8.250 nan 0.000 0.469 187 I N 2.883 123.292 120.570 -0.267 0.000 2.436 187 I HA 0.062 4.232 4.170 -0.000 0.000 0.289 187 I C 0.501 176.490 176.117 -0.215 0.000 1.083 187 I CA -0.235 60.915 61.300 -0.251 0.000 1.372 187 I CB -0.424 37.373 38.000 -0.338 0.000 1.408 187 I HN 0.478 nan 8.210 nan 0.000 0.516 188 I N 6.212 126.689 120.570 -0.155 0.000 2.587 188 I HA 0.029 4.199 4.170 -0.000 0.000 0.284 188 I C 1.231 177.282 176.117 -0.110 0.000 1.134 188 I CA 0.076 61.303 61.300 -0.122 0.000 1.410 188 I CB -0.009 37.921 38.000 -0.116 0.000 1.392 188 I HN 0.607 nan 8.210 nan 0.000 0.545 189 T N -0.488 114.010 114.554 -0.095 0.000 3.023 189 T HA 0.052 4.402 4.350 -0.000 0.000 0.253 189 T C 0.418 175.100 174.700 -0.030 0.000 1.038 189 T CA -0.300 61.764 62.100 -0.061 0.000 0.962 189 T CB -0.057 68.768 68.868 -0.073 0.000 1.018 189 T HN 0.559 nan 8.240 nan 0.000 0.521 190 D N 2.726 123.108 120.400 -0.029 0.000 2.365 190 D HA 0.219 4.859 4.640 -0.000 0.000 0.237 190 D C 1.533 177.839 176.300 0.010 0.000 1.190 190 D CA -0.030 53.965 54.000 -0.009 0.000 0.867 190 D CB 1.433 42.229 40.800 -0.006 0.000 1.050 190 D HN 0.225 nan 8.370 nan 0.000 0.491 191 S N 2.996 118.705 115.700 0.016 0.000 2.420 191 S HA -0.105 4.365 4.470 -0.000 0.000 0.237 191 S C 1.689 176.345 174.600 0.093 0.000 1.023 191 S CA 1.024 59.249 58.200 0.042 0.000 0.991 191 S CB -0.555 62.658 63.200 0.023 0.000 0.792 191 S HN 0.932 nan 8.310 nan 0.000 0.488 192 G N 0.332 109.164 108.800 0.054 0.000 2.160 192 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.244 192 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.244 192 G C -0.325 174.553 174.900 -0.036 0.000 1.022 192 G CA 0.239 45.392 45.100 0.089 0.000 0.741 192 G HN 1.090 nan 8.290 nan 0.000 0.508 193 I N -0.770 119.702 120.570 -0.164 0.000 2.753 193 I HA 0.688 4.858 4.170 -0.000 0.000 0.291 193 I C -1.382 174.590 176.117 -0.243 0.000 1.425 193 I CA -1.159 59.920 61.300 -0.368 0.000 1.039 193 I CB 1.780 39.331 38.000 -0.750 0.000 1.349 193 I HN 0.254 nan 8.210 nan 0.000 0.430 194 L N 7.778 128.861 121.223 -0.234 0.000 2.439 194 L HA 0.621 4.960 4.340 -0.000 0.000 0.270 194 L C -1.749 174.998 176.870 -0.205 0.000 0.972 194 L CA -0.629 54.105 54.840 -0.177 0.000 0.836 194 L CB 1.464 43.456 42.059 -0.112 0.000 1.255 194 L HN 0.547 nan 8.230 nan 0.000 0.404 195 L N 5.196 126.283 121.223 -0.226 0.000 2.272 195 L HA 0.648 4.988 4.340 -0.000 0.000 0.289 195 L C 0.372 177.140 176.870 -0.170 0.000 1.032 195 L CA -0.108 54.572 54.840 -0.266 0.000 0.810 195 L CB 1.383 43.197 42.059 -0.409 0.000 1.205 195 L HN 0.793 nan 8.230 nan 0.000 0.422 196 A N 3.226 125.973 122.820 -0.122 0.000 2.336 196 A HA 0.427 4.747 4.320 -0.000 0.000 0.212 196 A C 0.323 177.896 177.584 -0.018 0.000 2.317 196 A CA -0.130 51.898 52.037 -0.014 0.000 1.564 196 A CB -0.069 18.959 19.000 0.048 0.000 1.096 196 A HN 0.612 nan 8.150 nan 0.000 0.441 197 E N -0.199 120.006 120.200 0.009 0.000 2.421 197 E HA 0.278 4.628 4.350 -0.000 0.000 0.253 197 E C 0.666 177.243 176.600 -0.039 0.000 1.277 197 E CA -0.147 56.270 56.400 0.028 0.000 0.968 197 E CB 0.382 30.119 29.700 0.063 0.000 1.040 197 E HN 0.328 nan 8.360 nan 0.000 0.512 198 I N 1.060 121.622 120.570 -0.012 0.000 3.854 198 I HA -0.080 4.090 4.170 -0.000 0.000 0.312 198 I C 1.758 177.873 176.117 -0.003 0.000 1.273 198 I CA 0.540 61.826 61.300 -0.023 0.000 1.298 198 I CB -0.985 37.025 38.000 0.017 0.000 1.071 198 I HN 0.592 nan 8.210 nan 0.000 0.428 199 E N 1.401 121.601 120.200 0.000 0.000 2.160 199 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 199 E C 0.768 177.360 176.600 -0.013 0.000 0.991 199 E CA 1.349 57.748 56.400 -0.002 0.000 0.810 199 E CB -0.412 29.282 29.700 -0.010 0.000 0.742 199 E HN 0.416 nan 8.360 nan 0.000 0.466 200 N N 0.979 119.659 118.700 -0.034 0.000 2.254 200 N HA 0.189 4.929 4.740 -0.000 0.000 0.190 200 N C 1.324 176.790 175.510 -0.073 0.000 1.107 200 N CA 0.758 53.777 53.050 -0.051 0.000 0.869 200 N CB 0.276 38.721 38.487 -0.071 0.000 0.983 200 N HN 0.289 nan 8.380 nan 0.000 0.487 201 A N 2.439 125.206 122.820 -0.088 0.000 2.714 201 A HA -0.326 3.994 4.320 -0.000 0.000 0.243 201 A C 1.769 179.289 177.584 -0.107 0.000 1.409 201 A CA 2.685 54.626 52.037 -0.160 0.000 1.062 201 A CB -1.102 17.905 19.000 0.011 0.000 0.547 201 A HN 0.480 nan 8.150 nan 0.000 0.459 202 E N 0.447 120.717 120.200 0.115 0.000 2.516 202 E HA 0.377 4.727 4.350 -0.000 0.000 0.199 202 E C 1.339 177.991 176.600 0.086 0.000 1.069 202 E CA 1.183 57.697 56.400 0.190 0.000 0.876 202 E CB -0.815 29.042 29.700 0.261 0.000 0.843 202 E HN 0.665 nan 8.360 nan 0.000 0.530 203 A N 0.910 123.749 122.820 0.031 0.000 2.066 203 A HA 0.275 4.595 4.320 -0.000 0.000 0.218 203 A C 2.324 179.902 177.584 -0.011 0.000 1.157 203 A CA 1.176 53.223 52.037 0.017 0.000 0.670 203 A CB -0.385 18.616 19.000 0.002 0.000 0.804 203 A HN 0.395 nan 8.150 nan 0.000 0.453 204 A N -1.195 121.588 122.820 -0.062 0.000 2.030 204 A HA 0.168 4.488 4.320 -0.000 0.000 0.215 204 A C 1.899 179.399 177.584 -0.139 0.000 1.164 204 A CA 0.933 52.899 52.037 -0.119 0.000 0.697 204 A CB -0.282 18.602 19.000 -0.195 0.000 0.827 204 A HN 0.361 nan 8.150 nan 0.000 0.457 205 M N 0.230 119.789 119.600 -0.068 0.000 2.630 205 M HA 0.012 4.492 4.480 -0.000 0.000 0.254 205 M C 0.102 176.545 176.300 0.238 0.000 1.092 205 M CA 1.045 56.379 55.300 0.058 0.000 1.087 205 M CB -0.872 31.826 32.600 0.165 0.000 1.453 205 M HN 0.226 nan 8.290 nan 0.000 0.509 206 T N 0.283 114.927 114.554 0.149 0.000 3.624 206 T HA 0.498 4.848 4.350 -0.000 0.000 0.244 206 T C -0.101 174.665 174.700 0.111 0.000 1.063 206 T CA -0.276 61.911 62.100 0.145 0.000 1.252 206 T CB 0.308 69.241 68.868 0.108 0.000 1.021 206 T HN 0.207 nan 8.240 nan 0.000 0.590 207 A N 1.321 124.226 122.820 0.143 0.000 2.292 207 A HA 0.667 4.987 4.320 -0.000 0.000 0.319 207 A C 1.737 179.387 177.584 0.109 0.000 1.206 207 A CA -0.703 51.394 52.037 0.099 0.000 0.835 207 A CB 0.502 19.549 19.000 0.077 0.000 1.164 207 A HN 0.486 nan 8.150 nan 0.000 0.505 208 V N 0.616 120.567 119.914 0.061 0.000 2.277 208 V HA -0.316 3.804 4.120 -0.000 0.000 0.253 208 V C 1.538 177.657 176.094 0.041 0.000 1.067 208 V CA 2.584 64.907 62.300 0.039 0.000 1.047 208 V CB -1.072 30.763 31.823 0.020 0.000 0.649 208 V HN 0.821 nan 8.190 nan 0.000 0.447 209 D N -0.498 119.936 120.400 0.057 0.000 2.104 209 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 209 D C 1.913 178.274 176.300 0.102 0.000 0.994 209 D CA 2.031 56.066 54.000 0.059 0.000 0.830 209 D CB -0.226 40.608 40.800 0.057 0.000 0.959 209 D HN 0.577 nan 8.370 nan 0.000 0.452 210 F N 2.182 122.123 119.950 -0.016 0.000 2.031 210 F HA -0.167 4.360 4.527 -0.000 0.000 0.295 210 F C 2.482 178.273 175.800 -0.015 0.000 1.133 210 F CA 1.337 59.328 58.000 -0.016 0.000 1.188 210 F CB -0.502 38.486 39.000 -0.021 0.000 0.974 210 F HN -0.200 nan 8.300 nan 0.000 0.473 211 Q N 0.533 120.304 119.800 -0.048 0.000 2.308 211 Q HA -0.218 4.122 4.340 -0.000 0.000 0.209 211 Q C 2.339 178.240 176.000 -0.165 0.000 0.985 211 Q CA 1.301 57.009 55.803 -0.158 0.000 0.881 211 Q CB -0.898 27.836 28.738 -0.008 0.000 0.917 211 Q HN 0.584 nan 8.270 nan 0.000 0.443 212 A N 1.592 124.347 122.820 -0.108 0.000 1.858 212 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 212 A C 1.832 179.329 177.584 -0.145 0.000 1.190 212 A CA 1.627 53.602 52.037 -0.103 0.000 0.617 212 A CB -0.698 18.262 19.000 -0.068 0.000 0.827 212 A HN 0.475 nan 8.150 nan 0.000 0.443 213 N N -0.129 118.486 118.700 -0.141 0.000 2.309 213 N HA -0.026 4.714 4.740 -0.000 0.000 0.182 213 N C 1.578 177.030 175.510 -0.098 0.000 1.018 213 N CA 0.926 53.933 53.050 -0.071 0.000 0.876 213 N CB -0.235 38.294 38.487 0.069 0.000 0.972 213 N HN 0.430 nan 8.380 nan 0.000 0.434 214 L N 1.134 122.191 121.223 -0.276 0.000 2.191 214 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 214 L C 2.138 178.893 176.870 -0.192 0.000 1.103 214 L CA 1.213 55.875 54.840 -0.298 0.000 0.769 214 L CB -0.177 41.628 42.059 -0.424 0.000 0.908 214 L HN 0.128 nan 8.230 nan 0.000 0.438 215 K N 0.031 120.334 120.400 -0.162 0.000 2.044 215 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 215 K C 2.143 178.663 176.600 -0.134 0.000 1.045 215 K CA 0.699 56.913 56.287 -0.123 0.000 0.951 215 K CB -0.030 32.406 32.500 -0.107 0.000 0.738 215 K HN 0.037 nan 8.250 nan 0.000 0.443 216 K N 0.263 120.530 120.400 -0.222 0.000 2.074 216 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 216 K C 0.709 177.058 176.600 -0.419 0.000 1.048 216 K CA 1.639 57.678 56.287 -0.413 0.000 0.926 216 K CB 0.020 32.087 32.500 -0.722 0.000 0.713 216 K HN 0.170 nan 8.250 nan 0.000 0.444 217 Y N -0.178 120.126 120.300 0.007 0.000 2.658 217 Y HA 0.288 4.838 4.550 -0.000 0.000 0.276 217 Y C 0.676 176.581 175.900 0.008 0.000 1.167 217 Y CA -0.160 57.978 58.100 0.064 0.000 1.230 217 Y CB 0.697 39.187 38.460 0.050 0.000 1.144 217 Y HN 0.188 nan 8.280 nan 0.000 0.529 218 G N 2.297 111.125 108.800 0.045 0.000 2.396 218 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.288 218 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.288 218 G C 0.040 174.864 174.900 -0.128 0.000 0.926 218 G CA 0.990 46.087 45.100 -0.004 0.000 1.211 218 G HN 0.592 nan 8.290 nan 0.000 0.496 219 I N -3.361 117.033 120.570 -0.293 0.000 3.145 219 I HA 0.817 4.987 4.170 -0.000 0.000 0.313 219 I C -2.671 172.997 176.117 -0.748 0.000 1.122 219 I CA -3.539 57.376 61.300 -0.642 0.000 0.987 219 I CB 2.173 39.863 38.000 -0.517 0.000 1.236 219 I HN -0.103 nan 8.210 nan 0.000 0.453 220 P HA 0.256 nan 4.420 nan 0.000 0.278 220 P C -0.066 176.869 177.300 -0.609 0.000 1.266 220 P CA -0.331 62.126 63.100 -1.073 0.000 0.807 220 P CB 0.745 31.262 31.700 -1.970 0.000 1.094 221 G N 0.226 108.818 108.800 -0.346 0.000 3.209 221 G HA2 0.392 4.352 3.960 -0.000 0.000 0.274 221 G HA3 0.392 4.352 3.960 -0.000 0.000 0.274 221 G C -0.681 174.199 174.900 -0.034 0.000 0.850 221 G CA -0.145 44.898 45.100 -0.094 0.000 1.907 221 G HN 0.289 nan 8.290 nan 0.000 0.591 222 V N 2.284 122.127 119.914 -0.118 0.000 2.378 222 V HA 0.574 4.694 4.120 -0.000 0.000 0.288 222 V C 0.166 176.247 176.094 -0.021 0.000 1.016 222 V CA -0.779 61.464 62.300 -0.094 0.000 0.840 222 V CB 1.202 32.931 31.823 -0.155 0.000 0.994 222 V HN 0.512 nan 8.190 nan 0.000 0.431 223 V N 2.033 121.943 119.914 -0.007 0.000 3.001 223 V HA 1.015 5.135 4.120 -0.000 0.000 0.314 223 V C 0.311 176.401 176.094 -0.007 0.000 1.099 223 V CA -0.981 61.323 62.300 0.006 0.000 0.989 223 V CB 1.854 33.665 31.823 -0.019 0.000 1.040 223 V HN 1.043 nan 8.190 nan 0.000 0.434 224 A N 1.635 124.465 122.820 0.017 0.000 2.498 224 A HA 0.456 4.776 4.320 -0.000 0.000 0.239 224 A C 0.810 178.335 177.584 -0.098 0.000 1.068 224 A CA 0.290 52.353 52.037 0.043 0.000 0.766 224 A CB 0.194 19.283 19.000 0.149 0.000 1.003 224 A HN 1.545 nan 8.150 nan 0.000 0.497 225 L N 1.570 122.671 121.223 -0.204 0.000 2.217 225 L HA 0.115 4.455 4.340 -0.000 0.000 0.211 225 L C -0.335 176.100 176.870 -0.725 0.000 1.107 225 L CA 1.494 56.033 54.840 -0.501 0.000 0.783 225 L CB -0.327 41.314 42.059 -0.697 0.000 0.919 225 L HN 0.619 nan 8.230 nan 0.000 0.442 226 Y N -0.341 119.624 120.300 -0.559 0.000 2.409 226 Y HA 0.527 5.077 4.550 -0.000 0.000 0.343 226 Y C -2.201 173.291 175.900 -0.680 0.000 0.973 226 Y CA -4.084 53.478 58.100 -0.896 0.000 1.064 226 Y CB 0.436 37.774 38.460 -1.870 0.000 1.207 226 Y HN -0.114 nan 8.280 nan 0.000 0.452 227 P HA 0.312 nan 4.420 nan 0.000 0.265 227 P C -0.124 177.163 177.300 -0.021 0.000 1.187 227 P CA 0.505 63.536 63.100 -0.115 0.000 0.766 227 P CB 0.591 32.234 31.700 -0.095 0.000 0.820 228 G N 2.081 110.953 108.800 0.120 0.000 2.306 228 G HA2 0.009 3.969 3.960 -0.000 0.000 0.340 228 G HA3 0.009 3.969 3.960 -0.000 0.000 0.340 228 G C 0.093 175.158 174.900 0.276 0.000 1.630 228 G CA -0.660 44.600 45.100 0.266 0.000 0.937 228 G HN 0.304 nan 8.290 nan 0.000 0.693 229 E N 0.754 121.058 120.200 0.173 0.000 2.401 229 E HA 0.017 4.367 4.350 -0.000 0.000 0.199 229 E C 2.474 179.133 176.600 0.099 0.000 1.023 229 E CA 0.508 56.976 56.400 0.113 0.000 0.859 229 E CB 0.103 29.842 29.700 0.066 0.000 0.780 229 E HN 0.498 nan 8.360 nan 0.000 0.523 230 L N -0.033 121.260 121.223 0.117 0.000 2.362 230 L HA -0.044 4.296 4.340 -0.000 0.000 0.219 230 L C 2.116 178.939 176.870 -0.079 0.000 1.134 230 L CA 0.865 55.645 54.840 -0.099 0.000 0.807 230 L CB -0.259 41.547 42.059 -0.422 0.000 0.927 230 L HN 0.299 nan 8.230 nan 0.000 0.447 231 G N -1.150 107.790 108.800 0.233 0.000 2.572 231 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 231 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 231 G C 0.977 175.966 174.900 0.149 0.000 1.133 231 G CA 0.206 45.488 45.100 0.304 0.000 0.791 231 G HN 0.286 nan 8.290 nan 0.000 0.538 232 D N 0.668 121.127 120.400 0.098 0.000 2.309 232 D HA -0.030 4.610 4.640 -0.000 0.000 0.212 232 D C 2.156 178.483 176.300 0.044 0.000 0.968 232 D CA 0.701 54.739 54.000 0.063 0.000 0.882 232 D CB 0.035 40.863 40.800 0.047 0.000 0.918 232 D HN 0.314 nan 8.370 nan 0.000 0.503 233 K N -0.185 120.233 120.400 0.029 0.000 2.459 233 K HA 0.136 4.456 4.320 -0.000 0.000 0.193 233 K C 0.700 177.321 176.600 0.035 0.000 1.030 233 K CA 0.075 56.370 56.287 0.014 0.000 1.026 233 K CB 0.641 33.127 32.500 -0.022 0.000 0.809 233 K HN 0.150 nan 8.250 nan 0.000 0.504 234 I N 1.473 122.083 120.570 0.066 0.000 2.519 234 I HA 0.056 4.226 4.170 -0.000 0.000 0.287 234 I C 0.139 176.295 176.117 0.065 0.000 1.047 234 I CA -0.036 61.312 61.300 0.081 0.000 1.381 234 I CB 0.897 38.977 38.000 0.133 0.000 1.417 234 I HN 0.072 nan 8.210 nan 0.000 0.540 235 E N 6.620 126.855 120.200 0.058 0.000 2.409 235 E HA 0.313 4.663 4.350 -0.000 0.000 0.259 235 E C -1.405 175.237 176.600 0.071 0.000 0.932 235 E CA -0.750 55.686 56.400 0.060 0.000 0.809 235 E CB 1.296 31.027 29.700 0.051 0.000 1.341 235 E HN 0.366 nan 8.360 nan 0.000 0.405 236 I N 3.000 123.618 120.570 0.080 0.000 2.529 236 I HA 0.129 4.299 4.170 -0.000 0.000 0.284 236 I C 0.537 176.729 176.117 0.126 0.000 1.082 236 I CA 0.225 61.584 61.300 0.099 0.000 1.406 236 I CB 0.928 38.978 38.000 0.082 0.000 1.405 236 I HN 0.435 nan 8.210 nan 0.000 0.548 237 E N 6.611 126.902 120.200 0.152 0.000 2.145 237 E HA 0.573 4.923 4.350 -0.000 0.000 0.270 237 E C -1.310 175.426 176.600 0.227 0.000 0.906 237 E CA -0.514 55.992 56.400 0.178 0.000 0.761 237 E CB 0.969 30.766 29.700 0.161 0.000 1.116 237 E HN 0.492 nan 8.360 nan 0.000 0.408 238 I N 4.495 125.224 120.570 0.265 0.000 2.406 238 I HA 0.395 4.565 4.170 -0.000 0.000 0.290 238 I C -0.850 175.461 176.117 0.324 0.000 0.999 238 I CA -1.045 60.460 61.300 0.342 0.000 1.124 238 I CB 1.861 40.120 38.000 0.432 0.000 1.289 238 I HN 0.275 nan 8.210 nan 0.000 0.441 239 V N 4.582 124.689 119.914 0.321 0.000 2.760 239 V HA 0.399 4.519 4.120 -0.000 0.000 0.309 239 V C 0.043 176.291 176.094 0.255 0.000 1.077 239 V CA -0.557 61.900 62.300 0.261 0.000 0.910 239 V CB 2.270 34.221 31.823 0.214 0.000 1.008 239 V HN 0.898 nan 8.190 nan 0.000 0.424 240 S N 3.254 119.079 115.700 0.208 0.000 2.693 240 S HA 0.387 4.857 4.470 -0.000 0.000 0.276 240 S C 0.979 175.497 174.600 -0.138 0.000 1.192 240 S CA -0.526 57.625 58.200 -0.082 0.000 0.994 240 S CB 1.299 64.474 63.200 -0.040 0.000 1.012 240 S HN 0.745 nan 8.310 nan 0.000 0.550 241 K N 0.070 120.287 120.400 -0.304 0.000 2.281 241 K HA -0.146 4.174 4.320 -0.000 0.000 0.203 241 K C 1.856 178.431 176.600 -0.042 0.000 1.046 241 K CA 1.180 57.351 56.287 -0.194 0.000 0.938 241 K CB -0.754 31.600 32.500 -0.243 0.000 0.737 241 K HN 0.702 nan 8.250 nan 0.000 0.458 242 A N 1.661 124.457 122.820 -0.041 0.000 1.821 242 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 242 A C 1.261 178.869 177.584 0.040 0.000 1.214 242 A CA 1.831 53.871 52.037 0.005 0.000 0.608 242 A CB -0.631 18.377 19.000 0.013 0.000 0.862 242 A HN 0.379 nan 8.150 nan 0.000 0.448 243 D N -1.860 118.573 120.400 0.056 0.000 2.338 243 D HA 0.057 4.697 4.640 -0.000 0.000 0.239 243 D C 0.991 177.341 176.300 0.083 0.000 1.095 243 D CA 0.265 54.298 54.000 0.055 0.000 0.888 243 D CB -0.146 40.684 40.800 0.050 0.000 0.899 243 D HN 0.586 nan 8.370 nan 0.000 0.525 244 Y N 1.046 121.327 120.300 -0.032 0.000 2.314 244 Y HA 0.098 4.648 4.550 -0.000 0.000 0.294 244 Y C 2.181 178.067 175.900 -0.024 0.000 1.119 244 Y CA 0.932 59.010 58.100 -0.036 0.000 1.179 244 Y CB -0.116 38.294 38.460 -0.084 0.000 1.025 244 Y HN -0.000 nan 8.280 nan 0.000 0.541 245 A N 0.598 123.382 122.820 -0.060 0.000 1.873 245 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 245 A C 2.020 179.525 177.584 -0.132 0.000 1.186 245 A CA 1.608 53.567 52.037 -0.129 0.000 0.616 245 A CB -0.530 18.453 19.000 -0.028 0.000 0.823 245 A HN 0.419 nan 8.150 nan 0.000 0.442 246 K N 0.185 120.542 120.400 -0.072 0.000 2.611 246 K HA 0.027 4.347 4.320 -0.000 0.000 0.193 246 K C 1.647 178.204 176.600 -0.071 0.000 1.026 246 K CA 0.282 56.535 56.287 -0.057 0.000 1.063 246 K CB -0.411 32.074 32.500 -0.026 0.000 0.839 246 K HN 0.501 nan 8.250 nan 0.000 0.505 247 G N 1.545 110.264 108.800 -0.135 0.000 2.626 247 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.224 247 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.224 247 G C 1.421 176.280 174.900 -0.068 0.000 1.095 247 G CA 1.373 46.396 45.100 -0.128 0.000 0.738 247 G HN 0.422 nan 8.290 nan 0.000 0.600 248 A N 0.088 122.864 122.820 -0.072 0.000 1.878 248 A HA 0.249 4.569 4.320 -0.000 0.000 0.213 248 A C 2.689 180.259 177.584 -0.024 0.000 1.192 248 A CA 1.901 53.914 52.037 -0.040 0.000 0.619 248 A CB -0.251 18.723 19.000 -0.044 0.000 0.837 248 A HN 0.312 nan 8.150 nan 0.000 0.446 249 S N 0.455 116.139 115.700 -0.027 0.000 2.388 249 S HA 0.291 4.761 4.470 -0.000 0.000 0.223 249 S C 1.318 175.911 174.600 -0.012 0.000 1.034 249 S CA 0.280 58.469 58.200 -0.018 0.000 0.963 249 S CB -0.602 62.587 63.200 -0.019 0.000 0.827 249 S HN 0.839 nan 8.310 nan 0.000 0.481 250 A N 2.129 124.942 122.820 -0.012 0.000 2.581 250 A HA 0.059 4.379 4.320 -0.000 0.000 0.257 250 A C 0.062 177.646 177.584 -0.001 0.000 1.022 250 A CA 0.501 52.536 52.037 -0.004 0.000 0.812 250 A CB -0.630 18.373 19.000 0.005 0.000 0.918 250 A HN 0.527 nan 8.150 nan 0.000 0.516 251 L N 4.830 126.049 121.223 -0.007 0.000 2.389 251 L HA 0.171 4.511 4.340 -0.000 0.000 0.265 251 L C -0.032 176.829 176.870 -0.015 0.000 1.167 251 L CA -0.396 54.439 54.840 -0.010 0.000 1.045 251 L CB -0.184 41.866 42.059 -0.015 0.000 1.351 251 L HN 0.619 nan 8.230 nan 0.000 0.419 252 L N 4.112 125.333 121.223 -0.002 0.000 2.578 252 L HA 0.029 4.368 4.340 -0.000 0.000 0.279 252 L C -2.000 174.855 176.870 -0.025 0.000 1.227 252 L CA -1.279 53.559 54.840 -0.004 0.000 0.900 252 L CB -0.191 41.888 42.059 0.034 0.000 1.144 252 L HN 0.251 nan 8.230 nan 0.000 0.496 253 P HA 0.376 nan 4.420 nan 0.000 0.282 253 P C -0.724 176.491 177.300 -0.141 0.000 1.259 253 P CA -0.448 62.559 63.100 -0.154 0.000 0.826 253 P CB 1.074 32.602 31.700 -0.288 0.000 1.064 254 I N 1.849 122.301 120.570 -0.198 0.000 2.355 254 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 254 I C -0.415 175.609 176.117 -0.154 0.000 0.999 254 I CA -0.718 60.537 61.300 -0.075 0.000 1.163 254 I CB 0.588 38.574 38.000 -0.023 0.000 1.316 254 I HN 0.273 nan 8.210 nan 0.000 0.454 255 Y N 7.361 127.689 120.300 0.046 0.000 2.323 255 Y HA 0.338 4.888 4.550 -0.000 0.000 0.331 255 Y C -1.724 174.186 175.900 0.017 0.000 1.092 255 Y CA -1.916 56.210 58.100 0.043 0.000 1.150 255 Y CB 0.822 39.332 38.460 0.084 0.000 1.200 255 Y HN 0.421 nan 8.280 nan 0.000 0.472 256 P HA 0.092 nan 4.420 nan 0.000 0.264 256 P C 1.444 178.747 177.300 0.005 0.000 1.259 256 P CA 0.521 63.669 63.100 0.080 0.000 0.841 256 P CB 0.594 32.304 31.700 0.017 0.000 1.232 257 G N 0.657 109.459 108.800 0.002 0.000 2.672 257 G HA2 0.109 4.069 3.960 -0.000 0.000 0.218 257 G HA3 0.109 4.069 3.960 -0.000 0.000 0.218 257 G C 0.814 175.689 174.900 -0.042 0.000 1.238 257 G CA 1.151 46.241 45.100 -0.016 0.000 0.791 257 G HN 0.628 nan 8.290 nan 0.000 0.606 258 G N -3.262 105.493 108.800 -0.075 0.000 2.325 258 G HA2 0.537 4.497 3.960 -0.000 0.000 0.285 258 G HA3 0.537 4.497 3.960 -0.000 0.000 0.285 258 G C 0.390 175.234 174.900 -0.093 0.000 1.303 258 G CA 0.358 45.397 45.100 -0.102 0.000 0.970 258 G HN 2.194 nan 8.290 nan 0.000 0.490 259 G N -1.985 106.764 108.800 -0.084 0.000 2.915 259 G HA2 0.452 4.412 3.960 -0.000 0.000 0.337 259 G HA3 0.452 4.412 3.960 -0.000 0.000 0.337 259 G C 0.421 175.275 174.900 -0.077 0.000 1.477 259 G CA 1.009 46.070 45.100 -0.065 0.000 0.916 259 G HN 2.805 nan 8.290 nan 0.000 0.550 260 T N -2.600 111.923 114.554 -0.053 0.000 2.773 260 T HA 0.854 5.204 4.350 -0.000 0.000 0.278 260 T C -0.202 174.485 174.700 -0.022 0.000 1.011 260 T CA -0.114 61.958 62.100 -0.046 0.000 1.014 260 T CB 2.494 71.335 68.868 -0.045 0.000 1.293 260 T HN 1.449 nan 8.240 nan 0.000 0.554 261 R N -0.206 120.288 120.500 -0.011 0.000 2.647 261 R HA 0.550 4.890 4.340 -0.000 0.000 0.260 261 R C -0.890 175.416 176.300 0.009 0.000 1.154 261 R CA -0.529 55.572 56.100 0.002 0.000 1.029 261 R CB 1.405 31.711 30.300 0.011 0.000 1.262 261 R HN 1.165 nan 8.270 nan 0.000 0.437 262 A N 2.930 125.755 122.820 0.008 0.000 2.584 262 A HA 0.093 4.413 4.320 -0.000 0.000 0.239 262 A C 0.601 178.199 177.584 0.024 0.000 1.043 262 A CA 0.882 52.925 52.037 0.010 0.000 0.756 262 A CB 0.390 19.394 19.000 0.006 0.000 0.963 262 A HN 0.758 nan 8.150 nan 0.000 0.511 263 S N 0.671 116.387 115.700 0.028 0.000 2.598 263 S HA 0.302 4.772 4.470 -0.000 0.000 0.256 263 S C 1.341 175.973 174.600 0.054 0.000 1.350 263 S CA 0.720 58.951 58.200 0.051 0.000 0.984 263 S CB 0.356 63.588 63.200 0.053 0.000 0.930 263 S HN 1.727 nan 8.310 nan 0.000 0.577 264 T N -1.632 112.975 114.554 0.087 0.000 3.131 264 T HA 0.401 4.751 4.350 -0.000 0.000 0.283 264 T C 1.556 176.344 174.700 0.147 0.000 0.906 264 T CA 0.716 62.868 62.100 0.088 0.000 0.882 264 T CB -0.665 68.251 68.868 0.080 0.000 1.208 264 T HN 0.749 nan 8.240 nan 0.000 0.561 265 A N 3.034 125.983 122.820 0.215 0.000 1.863 265 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 265 A C 2.156 179.997 177.584 0.427 0.000 1.233 265 A CA 2.635 54.917 52.037 0.409 0.000 0.655 265 A CB -1.075 18.173 19.000 0.413 0.000 0.839 265 A HN 0.526 nan 8.150 nan 0.000 0.454 266 K N 0.161 120.606 120.400 0.075 0.000 2.360 266 K HA 0.073 4.393 4.320 -0.000 0.000 0.201 266 K C 1.193 177.823 176.600 0.051 0.000 1.046 266 K CA 1.348 57.576 56.287 -0.099 0.000 0.945 266 K CB -0.452 31.767 32.500 -0.468 0.000 0.750 266 K HN 0.407 nan 8.250 nan 0.000 0.464 267 A N -0.333 122.529 122.820 0.070 0.000 2.462 267 A HA 0.301 4.621 4.320 -0.000 0.000 0.261 267 A C 0.797 178.409 177.584 0.047 0.000 1.323 267 A CA -0.008 52.057 52.037 0.046 0.000 0.913 267 A CB 0.259 19.272 19.000 0.023 0.000 1.028 267 A HN 0.102 nan 8.150 nan 0.000 0.511 268 V N -2.283 117.679 119.914 0.079 0.000 3.157 268 V HA 0.256 4.376 4.120 -0.000 0.000 0.253 268 V C -0.393 175.591 176.094 -0.182 0.000 1.637 268 V CA 0.117 62.371 62.300 -0.076 0.000 1.058 268 V CB -0.027 31.706 31.823 -0.150 0.000 0.917 268 V HN 0.376 nan 8.190 nan 0.000 0.417 269 F N 0.567 120.599 119.950 0.137 0.000 2.443 269 F HA 0.703 5.230 4.527 -0.000 0.000 0.335 269 F C 1.305 177.210 175.800 0.176 0.000 1.104 269 F CA 0.287 58.386 58.000 0.164 0.000 1.013 269 F CB 1.757 40.883 39.000 0.210 0.000 1.136 269 F HN -0.006 nan 8.300 nan 0.000 0.470 270 G N 1.373 110.372 108.800 0.332 0.000 2.610 270 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 270 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 270 G C -0.266 174.831 174.900 0.328 0.000 1.243 270 G CA 0.113 45.377 45.100 0.273 0.000 0.847 270 G HN 0.507 nan 8.290 nan 0.000 0.560 271 Y N 3.458 123.869 120.300 0.185 0.000 2.783 271 Y HA 0.401 4.951 4.550 -0.000 0.000 0.359 271 Y C 1.057 176.979 175.900 0.036 0.000 1.220 271 Y CA -0.622 57.546 58.100 0.114 0.000 1.649 271 Y CB -0.312 38.211 38.460 0.105 0.000 1.273 271 Y HN 0.186 nan 8.280 nan 0.000 0.506 272 G N 6.454 115.102 108.800 -0.254 0.000 2.616 272 G HA2 0.339 4.298 3.960 -0.000 0.000 0.268 272 G HA3 0.339 4.298 3.960 -0.000 0.000 0.268 272 G C -2.790 171.586 174.900 -0.872 0.000 1.213 272 G CA -1.717 42.972 45.100 -0.685 0.000 0.926 272 G HN 0.483 nan 8.290 nan 0.000 0.523 273 P HA 0.084 nan 4.420 nan 0.000 0.266 273 P C 0.390 177.385 177.300 -0.508 0.000 1.215 273 P CA -0.019 62.669 63.100 -0.687 0.000 0.763 273 P CB 1.107 32.411 31.700 -0.659 0.000 0.806 274 Q N 1.502 121.049 119.800 -0.422 0.000 1.940 274 Q HA 0.006 4.346 4.340 -0.000 0.000 0.200 274 Q C 1.033 176.904 176.000 -0.215 0.000 0.977 274 Q CA 1.368 56.988 55.803 -0.305 0.000 0.841 274 Q CB -1.180 27.407 28.738 -0.251 0.000 0.901 274 Q HN 0.549 nan 8.270 nan 0.000 0.446 275 T N -0.601 113.843 114.554 -0.183 0.000 2.766 275 T HA 0.058 4.408 4.350 -0.000 0.000 0.295 275 T C 0.290 174.874 174.700 -0.193 0.000 1.024 275 T CA -0.095 61.916 62.100 -0.149 0.000 1.018 275 T CB 0.448 69.248 68.868 -0.112 0.000 1.002 275 T HN 0.024 nan 8.240 nan 0.000 0.532 276 D N 0.214 120.522 120.400 -0.155 0.000 2.312 276 D HA 0.017 4.657 4.640 -0.000 0.000 0.211 276 D C 1.546 177.704 176.300 -0.238 0.000 0.964 276 D CA 0.981 54.874 54.000 -0.178 0.000 0.877 276 D CB -0.081 40.660 40.800 -0.098 0.000 0.924 276 D HN 0.639 nan 8.370 nan 0.000 0.515 277 S N -0.684 114.909 115.700 -0.178 0.000 2.573 277 S HA 0.184 4.654 4.470 -0.000 0.000 0.244 277 S C 0.357 174.867 174.600 -0.150 0.000 0.984 277 S CA -0.623 57.513 58.200 -0.107 0.000 1.001 277 S CB 0.086 63.276 63.200 -0.016 0.000 0.788 277 S HN 0.070 nan 8.310 nan 0.000 0.456 278 Q N 0.539 120.130 119.800 -0.348 0.000 2.309 278 Q HA 0.585 4.925 4.340 -0.000 0.000 0.264 278 Q C -1.618 174.069 176.000 -0.522 0.000 1.008 278 Q CA -0.660 54.966 55.803 -0.296 0.000 0.853 278 Q CB 1.743 30.319 28.738 -0.271 0.000 1.314 278 Q HN 0.539 nan 8.270 nan 0.000 0.448 279 Y N -0.556 119.608 120.300 -0.228 0.000 2.512 279 Y HA 0.574 5.124 4.550 -0.000 0.000 0.348 279 Y C -0.360 175.419 175.900 -0.202 0.000 0.990 279 Y CA -1.194 56.824 58.100 -0.136 0.000 1.033 279 Y CB 1.920 40.403 38.460 0.039 0.000 1.259 279 Y HN 0.656 nan 8.280 nan 0.000 0.461 280 A N 3.093 125.870 122.820 -0.073 0.000 2.309 280 A HA 0.694 5.014 4.320 -0.000 0.000 0.290 280 A C -1.034 176.598 177.584 0.079 0.000 1.206 280 A CA -0.263 51.610 52.037 -0.274 0.000 0.850 280 A CB -0.334 18.378 19.000 -0.481 0.000 1.118 280 A HN 0.590 nan 8.150 nan 0.000 0.523 281 I N 2.873 123.534 120.570 0.152 0.000 2.406 281 I HA 0.406 4.576 4.170 -0.000 0.000 0.290 281 I C -0.385 175.933 176.117 0.334 0.000 0.999 281 I CA 0.133 61.595 61.300 0.269 0.000 1.124 281 I CB 1.720 39.878 38.000 0.264 0.000 1.289 281 I HN 0.507 nan 8.210 nan 0.000 0.441 282 I N 6.800 127.537 120.570 0.279 0.000 2.448 282 I HA 0.331 4.501 4.170 -0.000 0.000 0.281 282 I C -0.779 175.417 176.117 0.130 0.000 1.027 282 I CA -0.725 60.704 61.300 0.215 0.000 1.111 282 I CB 1.532 39.663 38.000 0.218 0.000 1.236 282 I HN 0.138 nan 8.210 nan 0.000 0.452 283 V N 7.103 127.067 119.914 0.082 0.000 2.465 283 V HA 0.442 4.562 4.120 -0.000 0.000 0.279 283 V C 0.231 176.303 176.094 -0.037 0.000 1.045 283 V CA -0.337 61.981 62.300 0.031 0.000 0.938 283 V CB 1.446 33.275 31.823 0.010 0.000 0.986 283 V HN 0.646 nan 8.190 nan 0.000 0.467 284 R N 3.731 124.222 120.500 -0.015 0.000 2.621 284 R HA 0.636 4.976 4.340 -0.000 0.000 0.292 284 R C -0.655 175.634 176.300 -0.018 0.000 0.969 284 R CA -0.837 55.247 56.100 -0.028 0.000 0.887 284 R CB 2.542 32.845 30.300 0.004 0.000 1.180 284 R HN 0.629 nan 8.270 nan 0.000 0.450 285 R N 2.590 123.072 120.500 -0.031 0.000 2.435 285 R HA 0.190 4.530 4.340 -0.000 0.000 0.308 285 R C -0.846 175.451 176.300 -0.005 0.000 0.975 285 R CA -0.370 55.729 56.100 -0.001 0.000 0.867 285 R CB 0.597 30.915 30.300 0.029 0.000 1.171 285 R HN 0.681 nan 8.270 nan 0.000 0.470 286 N N 3.852 122.551 118.700 -0.002 0.000 2.783 286 N HA -0.168 4.572 4.740 -0.000 0.000 0.247 286 N C -0.929 174.579 175.510 -0.004 0.000 1.089 286 N CA 1.567 54.614 53.050 -0.004 0.000 0.690 286 N CB -0.853 37.630 38.487 -0.007 0.000 0.991 286 N HN 0.957 nan 8.380 nan 0.000 0.552 287 D N -4.112 116.287 120.400 -0.002 0.000 2.837 287 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 287 D C 0.340 176.636 176.300 -0.007 0.000 1.033 287 D CA 1.726 55.726 54.000 -0.001 0.000 1.021 287 D CB -1.435 39.365 40.800 -0.000 0.000 1.101 287 D HN 0.754 nan 8.370 nan 0.000 0.431 288 A N 0.441 123.253 122.820 -0.014 0.000 2.366 288 A HA 0.525 4.845 4.320 -0.000 0.000 0.272 288 A C 0.544 178.103 177.584 -0.042 0.000 1.135 288 A CA -0.337 51.686 52.037 -0.023 0.000 0.804 288 A CB 0.216 19.204 19.000 -0.020 0.000 1.064 288 A HN 0.112 nan 8.150 nan 0.000 0.499 289 I N 3.966 124.510 120.570 -0.044 0.000 2.268 289 I HA 0.024 4.194 4.170 -0.000 0.000 0.298 289 I C 1.352 177.412 176.117 -0.095 0.000 1.185 289 I CA 0.366 61.631 61.300 -0.058 0.000 1.548 289 I CB -0.019 37.950 38.000 -0.052 0.000 1.492 289 I HN 0.445 nan 8.210 nan 0.000 0.711 290 V N 3.224 123.042 119.914 -0.161 0.000 2.469 290 V HA -0.182 3.938 4.120 -0.000 0.000 0.251 290 V C 0.993 176.920 176.094 -0.277 0.000 1.064 290 V CA 1.657 63.779 62.300 -0.296 0.000 1.066 290 V CB -0.367 31.072 31.823 -0.639 0.000 0.667 290 V HN 0.878 nan 8.190 nan 0.000 0.461 291 Q N -0.767 118.923 119.800 -0.184 0.000 2.435 291 Q HA 0.489 4.829 4.340 -0.000 0.000 0.282 291 Q C -1.309 174.696 176.000 0.009 0.000 1.020 291 Q CA -0.305 55.463 55.803 -0.059 0.000 0.820 291 Q CB 2.373 31.105 28.738 -0.009 0.000 1.436 291 Q HN 0.242 nan 8.270 nan 0.000 0.395 292 S N 1.409 117.131 115.700 0.037 0.000 2.750 292 S HA 0.755 5.225 4.470 -0.000 0.000 0.276 292 S C -1.509 173.210 174.600 0.197 0.000 1.165 292 S CA -0.577 57.664 58.200 0.068 0.000 1.047 292 S CB 1.523 64.585 63.200 -0.231 0.000 1.056 292 S HN 0.575 nan 8.310 nan 0.000 0.481 293 V N 2.733 122.856 119.914 0.348 0.000 3.159 293 V HA 0.813 4.933 4.120 -0.000 0.000 0.308 293 V C -1.504 174.653 176.094 0.105 0.000 1.190 293 V CA -0.627 61.789 62.300 0.193 0.000 1.037 293 V CB 2.370 34.147 31.823 -0.076 0.000 1.060 293 V HN 0.894 nan 8.190 nan 0.000 0.437 294 V N 5.136 125.005 119.914 -0.076 0.000 2.444 294 V HA 0.595 4.715 4.120 -0.000 0.000 0.294 294 V C -0.439 175.505 176.094 -0.249 0.000 1.022 294 V CA -0.328 61.848 62.300 -0.207 0.000 0.850 294 V CB 1.455 33.130 31.823 -0.246 0.000 0.992 294 V HN 0.683 nan 8.190 nan 0.000 0.426 295 L N 2.947 124.027 121.223 -0.238 0.000 2.283 295 L HA 0.748 5.088 4.340 -0.000 0.000 0.259 295 L C -0.187 176.573 176.870 -0.184 0.000 1.027 295 L CA -0.569 54.105 54.840 -0.277 0.000 0.828 295 L CB 2.419 44.259 42.059 -0.366 0.000 1.380 295 L HN 0.621 nan 8.230 nan 0.000 0.425 296 S N -1.337 114.273 115.700 -0.150 0.000 2.536 296 S HA 0.383 4.853 4.470 -0.000 0.000 0.298 296 S C 0.418 174.998 174.600 -0.034 0.000 1.083 296 S CA -0.083 58.073 58.200 -0.075 0.000 0.995 296 S CB 1.684 64.865 63.200 -0.032 0.000 1.058 296 S HN 0.758 nan 8.310 nan 0.000 0.488 297 T N 0.453 114.980 114.554 -0.045 0.000 3.107 297 T HA 0.295 4.645 4.350 -0.000 0.000 0.249 297 T C 0.330 175.114 174.700 0.140 0.000 1.096 297 T CA 0.055 62.161 62.100 0.011 0.000 1.012 297 T CB -0.283 68.498 68.868 -0.145 0.000 0.977 297 T HN 0.469 nan 8.240 nan 0.000 0.527 298 K N 1.711 122.142 120.400 0.053 0.000 2.339 298 K HA 0.400 4.720 4.320 -0.000 0.000 0.264 298 K C -0.110 176.341 176.600 -0.247 0.000 0.986 298 K CA -0.854 55.374 56.287 -0.098 0.000 0.866 298 K CB 0.941 33.399 32.500 -0.069 0.000 1.103 298 K HN 0.173 nan 8.250 nan 0.000 0.441 299 R N 1.824 121.965 120.500 -0.599 0.000 2.758 299 R HA -0.017 4.323 4.340 -0.000 0.000 0.263 299 R C 1.017 177.165 176.300 -0.252 0.000 1.010 299 R CA 1.423 57.114 56.100 -0.682 0.000 1.114 299 R CB 0.173 30.088 30.300 -0.641 0.000 0.985 299 R HN 1.060 nan 8.270 nan 0.000 0.439 300 G N 1.061 109.779 108.800 -0.138 0.000 2.900 300 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.223 300 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.223 300 G C 0.594 175.483 174.900 -0.020 0.000 1.293 300 G CA -0.128 44.937 45.100 -0.058 0.000 0.792 300 G HN 0.971 nan 8.290 nan 0.000 0.527 301 G N 1.198 109.981 108.800 -0.028 0.000 2.257 301 G HA2 0.367 4.327 3.960 -0.000 0.000 0.235 301 G HA3 0.367 4.327 3.960 -0.000 0.000 0.235 301 G C 0.053 174.963 174.900 0.016 0.000 1.225 301 G CA 1.223 46.317 45.100 -0.009 0.000 0.878 301 G HN 0.810 nan 8.290 nan 0.000 0.505 302 K N 0.992 121.407 120.400 0.024 0.000 2.444 302 K HA 0.358 4.678 4.320 -0.000 0.000 0.252 302 K C -0.358 176.286 176.600 0.074 0.000 0.993 302 K CA -0.986 55.328 56.287 0.045 0.000 0.847 302 K CB 1.672 34.200 32.500 0.047 0.000 1.340 302 K HN 0.616 nan 8.250 nan 0.000 0.446 303 D N 0.457 120.917 120.400 0.101 0.000 2.376 303 D HA 0.019 4.659 4.640 -0.000 0.000 0.268 303 D C 1.045 177.436 176.300 0.153 0.000 1.252 303 D CA -0.330 53.774 54.000 0.174 0.000 1.041 303 D CB 0.131 41.009 40.800 0.130 0.000 1.109 303 D HN 0.566 nan 8.370 nan 0.000 0.552 304 I N -3.296 117.331 120.570 0.095 0.000 3.551 304 I HA 0.070 4.240 4.170 -0.000 0.000 0.307 304 I C -0.045 175.918 176.117 -0.256 0.000 1.215 304 I CA 0.111 61.360 61.300 -0.085 0.000 1.195 304 I CB -1.048 36.780 38.000 -0.287 0.000 0.998 304 I HN 0.189 nan 8.210 nan 0.000 0.510 305 Y N -0.048 120.207 120.300 -0.076 0.000 2.767 305 Y HA 0.186 4.736 4.550 -0.000 0.000 0.254 305 Y C 0.083 175.967 175.900 -0.026 0.000 1.133 305 Y CA -0.765 57.303 58.100 -0.053 0.000 1.225 305 Y CB 0.345 38.768 38.460 -0.061 0.000 1.312 305 Y HN 0.181 nan 8.280 nan 0.000 0.560 306 D N 0.369 120.832 120.400 0.105 0.000 2.911 306 D HA -0.174 4.466 4.640 -0.000 0.000 0.227 306 D C -0.456 175.890 176.300 0.077 0.000 1.164 306 D CA 1.148 55.189 54.000 0.069 0.000 0.782 306 D CB -1.132 39.693 40.800 0.042 0.000 1.094 306 D HN 0.094 nan 8.370 nan 0.000 0.425 307 S N 0.403 116.159 115.700 0.094 0.000 2.416 307 S HA 0.176 4.646 4.470 -0.000 0.000 0.287 307 S C 0.399 175.034 174.600 0.059 0.000 1.139 307 S CA -0.759 57.481 58.200 0.068 0.000 1.058 307 S CB 0.859 64.087 63.200 0.047 0.000 0.967 307 S HN 0.328 nan 8.310 nan 0.000 0.495 308 N N 3.534 122.272 118.700 0.063 0.000 2.394 308 N HA -0.066 4.674 4.740 -0.000 0.000 0.282 308 N C 0.473 176.027 175.510 0.075 0.000 1.351 308 N CA 0.043 53.136 53.050 0.073 0.000 0.936 308 N CB -0.198 38.340 38.487 0.085 0.000 1.274 308 N HN 0.713 nan 8.380 nan 0.000 0.489 309 I N 0.591 121.182 120.570 0.035 0.000 3.874 309 I HA 0.236 4.406 4.170 -0.000 0.000 0.331 309 I C -0.246 175.852 176.117 -0.032 0.000 1.489 309 I CA -0.923 60.341 61.300 -0.060 0.000 1.187 309 I CB -0.473 37.450 38.000 -0.127 0.000 1.150 309 I HN 0.257 nan 8.210 nan 0.000 0.412 310 Y N 2.436 122.697 120.300 -0.066 0.000 2.496 310 Y HA 0.268 4.818 4.550 -0.000 0.000 0.334 310 Y C 1.175 177.048 175.900 -0.043 0.000 1.080 310 Y CA -0.804 57.257 58.100 -0.065 0.000 1.355 310 Y CB 0.526 38.967 38.460 -0.031 0.000 1.193 310 Y HN 0.209 nan 8.280 nan 0.000 0.523 311 I N 3.816 124.098 120.570 -0.480 0.000 2.094 311 I HA -0.506 3.664 4.170 -0.000 0.000 0.236 311 I C 2.051 177.952 176.117 -0.359 0.000 1.016 311 I CA 2.136 63.214 61.300 -0.370 0.000 1.294 311 I CB -0.268 37.557 38.000 -0.292 0.000 1.006 311 I HN 0.674 nan 8.210 nan 0.000 0.397 312 D N 0.506 120.462 120.400 -0.739 0.000 2.172 312 D HA -0.212 4.428 4.640 -0.000 0.000 0.196 312 D C 1.691 177.878 176.300 -0.188 0.000 0.999 312 D CA 1.777 55.546 54.000 -0.384 0.000 0.856 312 D CB -0.265 40.335 40.800 -0.334 0.000 0.934 312 D HN 0.454 nan 8.370 nan 0.000 0.453 313 D N -0.311 119.979 120.400 -0.183 0.000 2.144 313 D HA -0.087 4.553 4.640 -0.000 0.000 0.207 313 D C 1.818 178.093 176.300 -0.043 0.000 0.970 313 D CA 0.099 54.095 54.000 -0.007 0.000 0.853 313 D CB -0.680 40.189 40.800 0.115 0.000 1.007 313 D HN 0.142 nan 8.370 nan 0.000 0.469 314 F N 1.278 121.080 119.950 -0.247 0.000 2.063 314 F HA -0.319 4.208 4.527 -0.000 0.000 0.298 314 F C 1.942 177.502 175.800 -0.400 0.000 1.105 314 F CA 1.635 59.416 58.000 -0.365 0.000 1.215 314 F CB -0.554 38.102 39.000 -0.573 0.000 0.972 314 F HN -0.129 nan 8.300 nan 0.000 0.483 315 F N 0.264 120.013 119.950 -0.335 0.000 2.367 315 F HA 0.108 4.635 4.527 -0.000 0.000 0.298 315 F C 2.525 178.120 175.800 -0.340 0.000 1.094 315 F CA 0.831 58.506 58.000 -0.542 0.000 1.409 315 F CB -1.455 36.996 39.000 -0.916 0.000 1.064 315 F HN 0.072 nan 8.300 nan 0.000 0.528 316 A N -0.041 122.742 122.820 -0.062 0.000 2.131 316 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 316 A C 1.010 178.621 177.584 0.046 0.000 1.158 316 A CA 1.126 53.208 52.037 0.074 0.000 0.665 316 A CB -0.672 18.365 19.000 0.061 0.000 0.795 316 A HN 0.339 nan 8.150 nan 0.000 0.460 317 K N -0.820 119.546 120.400 -0.057 0.000 2.679 317 K HA 0.405 4.725 4.320 -0.000 0.000 0.188 317 K C 0.482 177.002 176.600 -0.134 0.000 1.055 317 K CA -0.001 56.247 56.287 -0.066 0.000 1.006 317 K CB 0.595 33.056 32.500 -0.066 0.000 1.317 317 K HN 0.320 nan 8.250 nan 0.000 0.584 318 G N 1.445 110.204 108.800 -0.069 0.000 2.449 318 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.304 318 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.304 318 G C 0.905 175.679 174.900 -0.210 0.000 0.962 318 G CA 0.668 45.721 45.100 -0.079 0.000 0.943 318 G HN 0.734 nan 8.290 nan 0.000 0.514 319 G N -1.154 107.375 108.800 -0.452 0.000 2.432 319 G HA2 0.247 4.207 3.960 -0.000 0.000 0.219 319 G HA3 0.247 4.207 3.960 -0.000 0.000 0.219 319 G C 0.728 175.272 174.900 -0.594 0.000 1.135 319 G CA 1.415 45.890 45.100 -1.041 0.000 0.767 319 G HN 1.278 nan 8.290 nan 0.000 0.550 320 S N -1.451 114.159 115.700 -0.151 0.000 2.572 320 S HA 0.346 4.816 4.470 -0.000 0.000 0.274 320 S C 0.287 174.983 174.600 0.161 0.000 1.150 320 S CA -0.584 57.708 58.200 0.153 0.000 0.944 320 S CB 1.773 65.236 63.200 0.438 0.000 1.071 320 S HN 0.247 nan 8.310 nan 0.000 0.479 321 E N 2.127 122.442 120.200 0.192 0.000 2.347 321 E HA -0.046 4.304 4.350 -0.000 0.000 0.196 321 E C 0.159 176.668 176.600 -0.152 0.000 1.008 321 E CA 1.029 57.422 56.400 -0.012 0.000 0.852 321 E CB 0.175 29.796 29.700 -0.131 0.000 0.783 321 E HN 0.767 nan 8.360 nan 0.000 0.505 322 Y N -0.380 119.974 120.300 0.091 0.000 2.506 322 Y HA 0.203 4.753 4.550 -0.000 0.000 0.287 322 Y C 1.427 177.351 175.900 0.040 0.000 1.147 322 Y CA -0.338 57.830 58.100 0.114 0.000 1.241 322 Y CB 0.542 39.091 38.460 0.147 0.000 1.279 322 Y HN -0.066 nan 8.280 nan 0.000 0.527 323 I N -3.667 117.042 120.570 0.232 0.000 3.264 323 I HA 0.649 4.819 4.170 -0.000 0.000 0.309 323 I C -1.636 174.445 176.117 -0.060 0.000 1.099 323 I CA -1.081 60.265 61.300 0.077 0.000 0.989 323 I CB 2.870 40.921 38.000 0.085 0.000 1.250 323 I HN -0.059 nan 8.210 nan 0.000 0.478 324 F N 1.118 120.777 119.950 -0.484 0.000 2.622 324 F HA 0.778 5.305 4.527 -0.000 0.000 0.318 324 F C -0.896 174.447 175.800 -0.761 0.000 1.135 324 F CA -0.153 57.383 58.000 -0.774 0.000 1.015 324 F CB 1.806 40.573 39.000 -0.388 0.000 1.275 324 F HN 0.918 nan 8.300 nan 0.000 0.457 325 A N 2.597 124.673 122.820 -1.240 0.000 2.524 325 A HA 0.888 5.208 4.320 -0.000 0.000 0.286 325 A C -1.230 176.254 177.584 -0.167 0.000 1.203 325 A CA -0.663 51.112 52.037 -0.436 0.000 0.736 325 A CB 1.969 20.843 19.000 -0.210 0.000 1.322 325 A HN 0.723 nan 8.150 nan 0.000 0.424 326 T N -1.106 113.491 114.554 0.071 0.000 3.032 326 T HA 0.518 4.868 4.350 -0.000 0.000 0.312 326 T C 0.657 175.462 174.700 0.175 0.000 1.078 326 T CA 0.424 62.579 62.100 0.091 0.000 1.028 326 T CB 1.282 70.231 68.868 0.134 0.000 1.091 326 T HN 1.726 nan 8.240 nan 0.000 0.457 327 A N 3.344 126.208 122.820 0.073 0.000 2.125 327 A HA 0.065 4.385 4.320 -0.000 0.000 0.219 327 A C 1.195 178.896 177.584 0.196 0.000 1.156 327 A CA 0.903 53.005 52.037 0.108 0.000 0.671 327 A CB -0.568 18.497 19.000 0.108 0.000 0.794 327 A HN 0.799 nan 8.150 nan 0.000 0.459 328 Q N 0.222 120.118 119.800 0.161 0.000 2.274 328 Q HA 0.078 4.418 4.340 -0.000 0.000 0.280 328 Q C 0.026 176.085 176.000 0.098 0.000 1.047 328 Q CA 0.459 56.338 55.803 0.127 0.000 0.907 328 Q CB 0.043 28.847 28.738 0.110 0.000 1.171 328 Q HN 0.472 nan 8.270 nan 0.000 0.381 329 N N 1.972 120.719 118.700 0.078 0.000 2.713 329 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 329 N C -1.387 174.132 175.510 0.015 0.000 1.117 329 N CA 0.849 53.914 53.050 0.024 0.000 0.770 329 N CB -1.021 37.438 38.487 -0.046 0.000 1.137 329 N HN 0.675 nan 8.380 nan 0.000 0.566 330 W N 2.876 124.101 121.300 -0.124 0.000 2.489 330 W HA 0.165 4.825 4.660 -0.000 0.000 0.327 330 W C -2.019 174.412 176.519 -0.147 0.000 1.436 330 W CA -1.157 56.066 57.345 -0.205 0.000 1.315 330 W CB -0.131 29.199 29.460 -0.217 0.000 1.373 330 W HN 0.035 nan 8.180 nan 0.000 0.557 331 P HA -0.064 nan 4.420 nan 0.000 0.264 331 P C -0.452 177.041 177.300 0.323 0.000 1.193 331 P CA 0.723 63.881 63.100 0.097 0.000 0.763 331 P CB 0.452 32.196 31.700 0.073 0.000 0.810 332 E N 1.883 122.253 120.200 0.284 0.000 2.414 332 E HA 0.180 4.530 4.350 -0.000 0.000 0.263 332 E C 1.271 178.094 176.600 0.372 0.000 1.000 332 E CA 0.599 57.199 56.400 0.333 0.000 0.914 332 E CB -0.058 29.767 29.700 0.208 0.000 0.948 332 E HN 0.758 nan 8.360 nan 0.000 0.444 333 G N 3.632 112.732 108.800 0.500 0.000 2.212 333 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.267 333 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.267 333 G C 0.079 175.242 174.900 0.438 0.000 1.002 333 G CA 0.367 45.711 45.100 0.405 0.000 0.729 333 G HN 0.576 nan 8.290 nan 0.000 0.517 334 F N 1.727 121.900 119.950 0.373 0.000 2.572 334 F HA 0.477 5.004 4.527 -0.000 0.000 0.370 334 F C 0.459 176.409 175.800 0.249 0.000 1.103 334 F CA 0.780 58.886 58.000 0.176 0.000 1.286 334 F CB 0.750 39.702 39.000 -0.080 0.000 1.105 334 F HN 0.071 nan 8.300 nan 0.000 0.583 335 S N 3.286 118.681 115.700 -0.509 0.000 2.548 335 S HA 0.838 5.308 4.470 -0.000 0.000 0.276 335 S C -0.292 173.965 174.600 -0.572 0.000 1.129 335 S CA -0.226 57.817 58.200 -0.261 0.000 0.931 335 S CB 1.551 64.744 63.200 -0.011 0.000 1.068 335 S HN 1.232 nan 8.310 nan 0.000 0.480 336 G N 1.452 110.137 108.800 -0.192 0.000 2.321 336 G HA2 0.418 4.378 3.960 -0.000 0.000 0.296 336 G HA3 0.418 4.378 3.960 -0.000 0.000 0.296 336 G C -2.348 172.687 174.900 0.226 0.000 1.287 336 G CA -0.696 44.416 45.100 0.020 0.000 0.846 336 G HN 0.494 nan 8.290 nan 0.000 0.508 337 I N 1.335 122.068 120.570 0.271 0.000 2.355 337 I HA 0.429 4.599 4.170 -0.000 0.000 0.288 337 I C 0.108 176.390 176.117 0.275 0.000 0.999 337 I CA -0.733 60.700 61.300 0.222 0.000 1.163 337 I CB 0.837 38.919 38.000 0.136 0.000 1.316 337 I HN 0.322 nan 8.210 nan 0.000 0.454 338 L N 5.761 127.102 121.223 0.197 0.000 2.292 338 L HA 0.389 4.729 4.340 -0.000 0.000 0.284 338 L C 0.341 177.270 176.870 0.098 0.000 1.065 338 L CA -0.165 54.755 54.840 0.133 0.000 0.806 338 L CB 1.173 43.243 42.059 0.020 0.000 1.175 338 L HN 0.521 nan 8.230 nan 0.000 0.431 339 T N 4.853 119.462 114.554 0.092 0.000 2.874 339 T HA 0.424 4.774 4.350 -0.000 0.000 0.321 339 T C 0.080 174.809 174.700 0.048 0.000 1.075 339 T CA -0.463 61.676 62.100 0.066 0.000 0.966 339 T CB 0.314 69.219 68.868 0.062 0.000 1.001 339 T HN 0.278 nan 8.240 nan 0.000 0.476 340 L N 3.815 125.066 121.223 0.048 0.000 2.416 340 L HA 0.559 4.899 4.340 -0.000 0.000 0.272 340 L C 0.775 177.673 176.870 0.046 0.000 1.161 340 L CA -0.146 54.722 54.840 0.048 0.000 0.845 340 L CB 0.462 42.559 42.059 0.063 0.000 1.119 340 L HN 0.738 nan 8.230 nan 0.000 0.464 341 S N -0.118 115.606 115.700 0.041 0.000 2.703 341 S HA 0.659 5.129 4.470 -0.000 0.000 0.273 341 S C 0.403 175.025 174.600 0.037 0.000 1.178 341 S CA -0.209 58.014 58.200 0.039 0.000 0.838 341 S CB 1.396 64.614 63.200 0.031 0.000 1.178 341 S HN 1.012 nan 8.310 nan 0.000 0.494 342 G N -0.043 108.779 108.800 0.037 0.000 2.196 342 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.268 342 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.268 342 G C 0.837 175.759 174.900 0.037 0.000 0.975 342 G CA 0.584 45.703 45.100 0.032 0.000 0.648 342 G HN 1.782 nan 8.290 nan 0.000 0.538 343 G N -0.527 108.304 108.800 0.051 0.000 2.391 343 G HA2 0.458 4.418 3.960 -0.000 0.000 0.234 343 G HA3 0.458 4.418 3.960 -0.000 0.000 0.234 343 G C -0.131 174.807 174.900 0.065 0.000 1.284 343 G CA 0.436 45.576 45.100 0.068 0.000 0.873 343 G HN 1.092 nan 8.290 nan 0.000 0.549 344 L N 2.878 124.135 121.223 0.058 0.000 2.673 344 L HA 0.276 4.616 4.340 -0.000 0.000 0.255 344 L C 0.231 177.124 176.870 0.040 0.000 1.015 344 L CA -0.488 54.380 54.840 0.047 0.000 0.930 344 L CB 1.065 43.141 42.059 0.027 0.000 1.185 344 L HN 0.707 nan 8.230 nan 0.000 0.457 345 S N 2.521 118.257 115.700 0.061 0.000 2.474 345 S HA 0.495 4.965 4.470 -0.000 0.000 0.276 345 S C 0.206 174.819 174.600 0.022 0.000 1.227 345 S CA -0.147 58.076 58.200 0.039 0.000 1.050 345 S CB 0.978 64.221 63.200 0.071 0.000 0.939 345 S HN 0.708 nan 8.310 nan 0.000 0.490 346 S N 3.772 119.473 115.700 0.002 0.000 2.498 346 S HA 0.386 4.856 4.470 -0.000 0.000 0.324 346 S C 0.496 175.081 174.600 -0.025 0.000 1.071 346 S CA -1.005 57.193 58.200 -0.004 0.000 1.113 346 S CB 0.658 63.857 63.200 -0.001 0.000 0.976 346 S HN 0.783 nan 8.310 nan 0.000 0.462 347 N N 3.131 121.812 118.700 -0.031 0.000 2.415 347 N HA 0.008 4.748 4.740 -0.000 0.000 0.176 347 N C 2.025 177.516 175.510 -0.031 0.000 1.042 347 N CA 0.824 53.839 53.050 -0.058 0.000 0.902 347 N CB -0.669 37.775 38.487 -0.072 0.000 0.986 347 N HN 0.746 nan 8.380 nan 0.000 0.447 348 A N 2.005 124.818 122.820 -0.013 0.000 1.865 348 A HA -0.274 4.046 4.320 -0.000 0.000 0.244 348 A C 0.647 178.230 177.584 -0.003 0.000 1.984 348 A CA 2.291 54.327 52.037 -0.003 0.000 0.785 348 A CB -0.749 18.252 19.000 0.002 0.000 0.849 348 A HN 0.577 nan 8.150 nan 0.000 0.501 349 E N -1.284 118.914 120.200 -0.004 0.000 3.037 349 E HA 0.550 4.900 4.350 -0.000 0.000 0.220 349 E C -1.149 175.449 176.600 -0.003 0.000 1.142 349 E CA -0.451 55.949 56.400 0.000 0.000 0.888 349 E CB 0.932 30.636 29.700 0.006 0.000 1.329 349 E HN 0.057 nan 8.360 nan 0.000 0.409 350 V N 2.265 122.169 119.914 -0.017 0.000 2.353 350 V HA 0.188 4.308 4.120 -0.000 0.000 0.264 350 V C 0.597 176.693 176.094 0.004 0.000 1.049 350 V CA -0.304 61.984 62.300 -0.021 0.000 0.896 350 V CB 1.126 32.902 31.823 -0.078 0.000 1.025 350 V HN 0.714 nan 8.190 nan 0.000 0.475 351 T N 4.776 119.344 114.554 0.025 0.000 2.903 351 T HA 0.272 4.622 4.350 -0.000 0.000 0.314 351 T C 1.519 176.254 174.700 0.059 0.000 1.078 351 T CA 0.318 62.442 62.100 0.040 0.000 1.114 351 T CB 1.137 70.030 68.868 0.042 0.000 0.987 351 T HN 0.852 nan 8.240 nan 0.000 0.548 352 A N 4.277 127.141 122.820 0.073 0.000 1.884 352 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 352 A C 2.521 180.181 177.584 0.127 0.000 1.197 352 A CA 2.579 54.679 52.037 0.106 0.000 0.637 352 A CB -1.682 17.383 19.000 0.109 0.000 0.827 352 A HN 1.107 nan 8.150 nan 0.000 0.450 353 G N -0.225 108.636 108.800 0.102 0.000 2.469 353 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 353 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 353 G C 0.994 175.978 174.900 0.141 0.000 1.150 353 G CA 1.397 46.562 45.100 0.107 0.000 0.763 353 G HN 0.567 nan 8.290 nan 0.000 0.561 354 D N 0.162 120.635 120.400 0.121 0.000 2.228 354 D HA -0.081 4.559 4.640 -0.000 0.000 0.203 354 D C 2.361 178.752 176.300 0.153 0.000 0.988 354 D CA 0.412 54.506 54.000 0.157 0.000 0.864 354 D CB -0.088 40.777 40.800 0.108 0.000 0.928 354 D HN 0.339 nan 8.370 nan 0.000 0.469 355 L N -0.535 120.761 121.223 0.121 0.000 2.095 355 L HA -0.029 4.311 4.340 -0.000 0.000 0.204 355 L C 2.226 179.270 176.870 0.290 0.000 1.080 355 L CA 0.725 55.630 54.840 0.109 0.000 0.759 355 L CB -0.181 41.980 42.059 0.170 0.000 0.914 355 L HN 0.059 nan 8.230 nan 0.000 0.439 356 M N -0.844 118.988 119.600 0.386 0.000 2.175 356 M HA -0.207 4.273 4.480 -0.000 0.000 0.264 356 M C 2.031 178.623 176.300 0.487 0.000 1.063 356 M CA 1.569 57.197 55.300 0.547 0.000 1.119 356 M CB -0.355 32.486 32.600 0.401 0.000 1.377 356 M HN 0.158 nan 8.290 nan 0.000 0.415 357 E N 0.447 120.860 120.200 0.354 0.000 2.118 357 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 357 E C 2.084 178.997 176.600 0.521 0.000 0.992 357 E CA 1.385 58.004 56.400 0.364 0.000 0.804 357 E CB -0.099 29.767 29.700 0.277 0.000 0.741 357 E HN 0.542 nan 8.360 nan 0.000 0.458 358 A N 0.622 123.698 122.820 0.427 0.000 1.832 358 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 358 A C 1.813 179.538 177.584 0.235 0.000 1.200 358 A CA 1.139 53.266 52.037 0.149 0.000 0.610 358 A CB -1.285 17.530 19.000 -0.309 0.000 0.842 358 A HN 0.396 nan 8.150 nan 0.000 0.444 359 W N 0.508 121.983 121.300 0.291 0.000 2.308 359 W HA -0.244 4.416 4.660 -0.000 0.000 0.301 359 W C 1.604 178.403 176.519 0.466 0.000 1.220 359 W CA 1.134 58.724 57.345 0.409 0.000 1.240 359 W CB -0.266 29.371 29.460 0.294 0.000 1.142 359 W HN 0.373 nan 8.180 nan 0.000 0.521 360 D N -0.686 120.094 120.400 0.633 0.000 2.271 360 D HA -0.192 4.448 4.640 -0.000 0.000 0.207 360 D C 1.531 178.030 176.300 0.331 0.000 0.983 360 D CA 1.169 55.438 54.000 0.449 0.000 0.878 360 D CB -0.818 40.194 40.800 0.354 0.000 0.920 360 D HN 0.183 nan 8.370 nan 0.000 0.479 361 F N -0.962 118.997 119.950 0.014 0.000 2.583 361 F HA -0.096 4.430 4.527 -0.000 0.000 0.297 361 F C 1.174 176.771 175.800 -0.337 0.000 1.131 361 F CA 0.376 58.230 58.000 -0.244 0.000 1.467 361 F CB -0.080 38.644 39.000 -0.460 0.000 1.097 361 F HN -0.034 nan 8.300 nan 0.000 0.586 362 F N -1.417 118.737 119.950 0.339 0.000 2.682 362 F HA 0.318 4.845 4.527 -0.000 0.000 0.308 362 F C 1.651 177.608 175.800 0.263 0.000 1.093 362 F CA -0.122 58.052 58.000 0.290 0.000 1.244 362 F CB -0.394 38.814 39.000 0.347 0.000 1.052 362 F HN -0.191 nan 8.300 nan 0.000 0.573 363 A N 0.737 123.756 122.820 0.332 0.000 2.416 363 A HA 0.273 4.593 4.320 -0.000 0.000 0.252 363 A C -0.655 177.000 177.584 0.119 0.000 1.353 363 A CA 0.076 52.240 52.037 0.211 0.000 0.996 363 A CB -1.397 17.701 19.000 0.162 0.000 0.961 363 A HN 0.254 nan 8.150 nan 0.000 0.523 364 D N -2.431 118.045 120.400 0.127 0.000 2.591 364 D HA 0.257 4.897 4.640 -0.000 0.000 0.222 364 D C 0.240 176.591 176.300 0.085 0.000 1.360 364 D CA -0.701 53.343 54.000 0.074 0.000 0.967 364 D CB 0.272 41.094 40.800 0.037 0.000 1.456 364 D HN 0.025 nan 8.370 nan 0.000 0.588 365 R N 0.977 121.521 120.500 0.073 0.000 2.200 365 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 365 R C 1.230 177.566 176.300 0.060 0.000 1.127 365 R CA 1.267 57.412 56.100 0.075 0.000 0.989 365 R CB -0.104 30.230 30.300 0.056 0.000 0.869 365 R HN 0.556 nan 8.270 nan 0.000 0.459 366 E N -0.040 120.186 120.200 0.044 0.000 2.118 366 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 366 E C 1.612 178.235 176.600 0.038 0.000 0.992 366 E CA 1.775 58.194 56.400 0.032 0.000 0.804 366 E CB 0.093 29.804 29.700 0.019 0.000 0.741 366 E HN 0.342 nan 8.360 nan 0.000 0.458 367 S N -0.116 115.612 115.700 0.046 0.000 2.444 367 S HA 0.039 4.509 4.470 -0.000 0.000 0.223 367 S C 0.705 175.347 174.600 0.071 0.000 1.054 367 S CA 0.232 58.459 58.200 0.045 0.000 0.947 367 S CB 0.456 63.673 63.200 0.027 0.000 0.850 367 S HN 0.123 nan 8.310 nan 0.000 0.527 368 V N 2.314 122.294 119.914 0.110 0.000 2.444 368 V HA 0.498 4.618 4.120 -0.000 0.000 0.294 368 V C -1.478 174.713 176.094 0.162 0.000 1.022 368 V CA -1.297 61.092 62.300 0.148 0.000 0.850 368 V CB 1.523 33.478 31.823 0.219 0.000 0.992 368 V HN 0.327 nan 8.190 nan 0.000 0.426 369 D N 4.773 125.249 120.400 0.127 0.000 2.435 369 D HA 0.271 4.911 4.640 -0.000 0.000 0.230 369 D C 0.219 176.589 176.300 0.117 0.000 1.215 369 D CA -0.111 53.958 54.000 0.115 0.000 0.947 369 D CB 1.398 42.250 40.800 0.087 0.000 1.048 369 D HN 0.718 nan 8.370 nan 0.000 0.512 370 V N -0.372 119.624 119.914 0.137 0.000 2.444 370 V HA 0.278 4.398 4.120 -0.000 0.000 0.294 370 V C 0.551 176.716 176.094 0.119 0.000 1.022 370 V CA -0.789 61.558 62.300 0.079 0.000 0.850 370 V CB 1.683 33.489 31.823 -0.029 0.000 0.992 370 V HN 0.051 nan 8.190 nan 0.000 0.426 371 Q N 3.926 123.781 119.800 0.093 0.000 2.123 371 Q HA 0.395 4.735 4.340 -0.000 0.000 0.196 371 Q C 0.206 176.307 176.000 0.167 0.000 0.958 371 Q CA 1.432 57.312 55.803 0.127 0.000 0.841 371 Q CB 0.003 28.800 28.738 0.100 0.000 0.915 371 Q HN 0.849 nan 8.270 nan 0.000 0.455 372 L N -0.943 120.351 121.223 0.117 0.000 2.319 372 L HA 0.488 4.828 4.340 -0.000 0.000 0.267 372 L C -0.956 175.967 176.870 0.088 0.000 1.011 372 L CA -0.741 54.185 54.840 0.144 0.000 0.818 372 L CB 1.510 43.635 42.059 0.111 0.000 1.316 372 L HN -0.045 nan 8.230 nan 0.000 0.432 373 F N 1.743 121.642 119.950 -0.083 0.000 2.610 373 F HA 0.446 4.973 4.527 -0.000 0.000 0.355 373 F C -0.064 175.661 175.800 -0.125 0.000 1.140 373 F CA -0.390 57.517 58.000 -0.155 0.000 1.037 373 F CB 1.283 40.152 39.000 -0.218 0.000 1.287 373 F HN 0.186 nan 8.300 nan 0.000 0.457 374 I N 3.939 124.499 120.570 -0.017 0.000 2.436 374 I HA 0.169 4.339 4.170 -0.000 0.000 0.289 374 I C 0.775 176.957 176.117 0.109 0.000 1.083 374 I CA 0.455 61.782 61.300 0.045 0.000 1.372 374 I CB 1.080 39.082 38.000 0.003 0.000 1.408 374 I HN 0.784 nan 8.210 nan 0.000 0.516 375 A N 4.877 127.723 122.820 0.042 0.000 2.009 375 A HA 0.241 4.561 4.320 -0.000 0.000 0.197 375 A C 2.071 179.689 177.584 0.057 0.000 1.471 375 A CA 0.559 52.590 52.037 -0.011 0.000 0.973 375 A CB -0.399 18.521 19.000 -0.134 0.000 1.020 375 A HN 0.712 nan 8.150 nan 0.000 0.476 376 G N 1.224 110.048 108.800 0.040 0.000 2.527 376 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.219 376 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.219 376 G C 1.551 176.500 174.900 0.083 0.000 1.117 376 G CA 1.599 46.734 45.100 0.059 0.000 0.759 376 G HN 0.890 nan 8.290 nan 0.000 0.556 377 S N -0.604 115.127 115.700 0.052 0.000 2.488 377 S HA -0.154 4.316 4.470 -0.000 0.000 0.246 377 S C 1.748 176.184 174.600 -0.273 0.000 0.992 377 S CA 1.119 59.251 58.200 -0.113 0.000 0.963 377 S CB -0.714 62.462 63.200 -0.040 0.000 0.754 377 S HN 0.378 nan 8.310 nan 0.000 0.519 378 C N 1.327 120.611 119.300 -0.026 0.000 2.791 378 C HA 0.658 5.118 4.460 -0.000 0.000 0.270 378 C C 2.789 177.768 174.990 -0.020 0.000 1.257 378 C CA -0.628 58.400 59.018 0.018 0.000 1.699 378 C CB -1.657 26.183 27.740 0.165 0.000 1.904 378 C HN 0.720 nan 8.230 nan 0.000 0.603 379 A N 1.947 124.752 122.820 -0.025 0.000 1.940 379 A HA -0.127 4.193 4.320 -0.000 0.000 0.221 379 A C 2.352 179.811 177.584 -0.209 0.000 1.190 379 A CA 2.469 54.477 52.037 -0.047 0.000 0.647 379 A CB -1.144 17.818 19.000 -0.063 0.000 0.821 379 A HN 0.566 nan 8.150 nan 0.000 0.457 380 G N -1.051 107.617 108.800 -0.221 0.000 2.448 380 G HA2 0.089 4.049 3.960 -0.000 0.000 0.218 380 G HA3 0.089 4.049 3.960 -0.000 0.000 0.218 380 G C 0.793 175.643 174.900 -0.084 0.000 1.135 380 G CA 0.741 45.733 45.100 -0.180 0.000 0.784 380 G HN 0.539 nan 8.290 nan 0.000 0.543 381 E N 0.905 121.088 120.200 -0.029 0.000 2.455 381 E HA 0.254 4.604 4.350 -0.000 0.000 0.259 381 E C 0.575 177.184 176.600 0.016 0.000 1.245 381 E CA -0.116 56.300 56.400 0.026 0.000 1.013 381 E CB 0.317 30.068 29.700 0.086 0.000 0.978 381 E HN 0.144 nan 8.360 nan 0.000 0.479 382 S N 2.487 118.208 115.700 0.034 0.000 2.784 382 S HA -0.136 4.334 4.470 -0.000 0.000 0.322 382 S C 1.497 176.121 174.600 0.040 0.000 1.234 382 S CA -0.105 58.115 58.200 0.034 0.000 1.064 382 S CB 0.021 63.248 63.200 0.046 0.000 0.787 382 S HN 0.557 nan 8.310 nan 0.000 0.506 383 L N 3.203 124.442 121.223 0.027 0.000 2.058 383 L HA -0.339 4.001 4.340 -0.000 0.000 0.226 383 L C 2.336 179.261 176.870 0.091 0.000 1.089 383 L CA 2.176 57.037 54.840 0.034 0.000 0.799 383 L CB -0.649 41.440 42.059 0.050 0.000 0.900 383 L HN 0.802 nan 8.230 nan 0.000 0.442 384 E N -0.965 119.297 120.200 0.103 0.000 2.037 384 E HA -0.342 4.008 4.350 -0.000 0.000 0.214 384 E C 1.906 178.590 176.600 0.139 0.000 1.041 384 E CA 2.326 58.802 56.400 0.127 0.000 0.872 384 E CB -0.558 29.201 29.700 0.098 0.000 0.785 384 E HN 0.554 nan 8.360 nan 0.000 0.476 385 T N 0.063 114.686 114.554 0.115 0.000 2.778 385 T HA -0.206 4.144 4.350 -0.000 0.000 0.269 385 T C 1.866 176.653 174.700 0.144 0.000 1.050 385 T CA 1.582 63.759 62.100 0.129 0.000 1.137 385 T CB -0.296 68.641 68.868 0.115 0.000 0.860 385 T HN 0.312 nan 8.240 nan 0.000 0.468 386 A N 0.559 123.448 122.820 0.114 0.000 1.927 386 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 386 A C 2.691 180.374 177.584 0.165 0.000 1.185 386 A CA 2.650 54.743 52.037 0.094 0.000 0.639 386 A CB -0.978 18.028 19.000 0.010 0.000 0.820 386 A HN 0.629 nan 8.150 nan 0.000 0.451 387 S N -1.340 114.509 115.700 0.249 0.000 2.341 387 S HA -0.092 4.378 4.470 -0.000 0.000 0.216 387 S C 2.240 177.008 174.600 0.280 0.000 1.034 387 S CA 1.522 59.955 58.200 0.388 0.000 0.964 387 S CB -0.779 62.734 63.200 0.521 0.000 0.882 387 S HN 0.823 nan 8.310 nan 0.000 0.469 388 T N 2.013 116.702 114.554 0.224 0.000 2.881 388 T HA -0.044 4.306 4.350 -0.000 0.000 0.270 388 T C 1.688 176.510 174.700 0.204 0.000 1.068 388 T CA 1.179 63.392 62.100 0.189 0.000 1.131 388 T CB -0.524 68.431 68.868 0.145 0.000 0.871 388 T HN 0.104 nan 8.240 nan 0.000 0.479 389 V N 1.405 121.446 119.914 0.212 0.000 2.221 389 V HA -0.153 3.967 4.120 -0.000 0.000 0.242 389 V C 2.886 179.084 176.094 0.172 0.000 1.041 389 V CA 2.093 64.540 62.300 0.245 0.000 0.995 389 V CB -0.948 31.038 31.823 0.273 0.000 0.635 389 V HN 0.510 nan 8.190 nan 0.000 0.448 390 Q N -0.054 119.819 119.800 0.122 0.000 2.047 390 Q HA -0.346 3.994 4.340 -0.000 0.000 0.211 390 Q C 2.372 178.446 176.000 0.123 0.000 1.005 390 Q CA 2.322 58.153 55.803 0.046 0.000 0.866 390 Q CB -0.384 28.369 28.738 0.025 0.000 0.938 390 Q HN 0.525 nan 8.270 nan 0.000 0.414 391 K N -0.300 120.252 120.400 0.253 0.000 2.077 391 K HA -0.283 4.037 4.320 -0.000 0.000 0.213 391 K C 2.142 178.825 176.600 0.139 0.000 1.051 391 K CA 1.929 58.364 56.287 0.246 0.000 0.929 391 K CB -0.356 32.270 32.500 0.209 0.000 0.715 391 K HN 0.438 nan 8.250 nan 0.000 0.451 392 H N -0.204 118.894 119.070 0.046 0.000 2.389 392 H HA -0.073 4.483 4.556 -0.000 0.000 0.299 392 H C 1.863 177.165 175.328 -0.044 0.000 1.081 392 H CA 1.302 57.359 56.048 0.016 0.000 1.345 392 H CB 0.239 30.038 29.762 0.062 0.000 1.393 392 H HN -0.007 nan 8.280 nan 0.000 0.520 393 V N 1.003 120.723 119.914 -0.323 0.000 2.392 393 V HA -0.237 3.883 4.120 -0.000 0.000 0.249 393 V C 2.854 178.703 176.094 -0.408 0.000 1.059 393 V CA 1.373 63.361 62.300 -0.519 0.000 1.051 393 V CB -0.548 30.881 31.823 -0.656 0.000 0.658 393 V HN 0.287 nan 8.190 nan 0.000 0.455 394 V N -0.675 119.102 119.914 -0.230 0.000 2.392 394 V HA -0.218 3.902 4.120 -0.000 0.000 0.249 394 V C 2.237 178.205 176.094 -0.211 0.000 1.059 394 V CA 2.242 64.429 62.300 -0.188 0.000 1.051 394 V CB -0.498 31.285 31.823 -0.067 0.000 0.658 394 V HN 0.550 nan 8.190 nan 0.000 0.455 395 S N -1.478 114.127 115.700 -0.158 0.000 2.803 395 S HA 0.253 4.723 4.470 -0.000 0.000 0.228 395 S C 1.261 175.777 174.600 -0.140 0.000 0.953 395 S CA 0.222 58.359 58.200 -0.105 0.000 0.983 395 S CB -0.306 62.906 63.200 0.020 0.000 0.784 395 S HN 0.510 nan 8.310 nan 0.000 0.498 396 I N -0.974 119.440 120.570 -0.260 0.000 3.812 396 I HA 0.212 4.382 4.170 -0.000 0.000 0.292 396 I C 2.404 178.321 176.117 -0.334 0.000 1.206 396 I CA 0.417 61.573 61.300 -0.240 0.000 1.370 396 I CB -0.331 37.531 38.000 -0.229 0.000 1.328 396 I HN 0.353 nan 8.210 nan 0.000 0.453 397 G N 0.480 108.966 108.800 -0.524 0.000 2.403 397 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 397 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 397 G C 1.142 175.725 174.900 -0.529 0.000 1.154 397 G CA 0.766 45.527 45.100 -0.565 0.000 0.784 397 G HN 0.186 nan 8.290 nan 0.000 0.538 398 D N 0.413 120.569 120.400 -0.406 0.000 2.087 398 D HA -0.114 4.526 4.640 -0.000 0.000 0.192 398 D C 2.694 178.795 176.300 -0.330 0.000 0.993 398 D CA 0.962 54.740 54.000 -0.370 0.000 0.828 398 D CB -0.460 40.219 40.800 -0.202 0.000 0.968 398 D HN 0.129 nan 8.370 nan 0.000 0.448 399 V N 0.940 120.721 119.914 -0.221 0.000 3.078 399 V HA -0.126 3.994 4.120 -0.000 0.000 0.265 399 V C 2.169 178.172 176.094 -0.152 0.000 1.122 399 V CA 1.558 63.769 62.300 -0.148 0.000 1.141 399 V CB -0.556 31.216 31.823 -0.085 0.000 0.735 399 V HN 0.289 nan 8.190 nan 0.000 0.498 400 R N -0.148 120.227 120.500 -0.208 0.000 2.257 400 R HA 0.131 4.471 4.340 -0.000 0.000 0.195 400 R C 0.929 177.109 176.300 -0.201 0.000 0.921 400 R CA 0.099 56.109 56.100 -0.151 0.000 1.069 400 R CB -0.094 30.153 30.300 -0.087 0.000 1.115 400 R HN 0.374 nan 8.270 nan 0.000 0.571 401 Q N 1.359 120.907 119.800 -0.420 0.000 2.457 401 Q HA -0.197 4.143 4.340 -0.000 0.000 0.283 401 Q C -1.124 174.817 176.000 -0.099 0.000 1.234 401 Q CA 1.224 56.683 55.803 -0.572 0.000 0.877 401 Q CB -1.233 27.265 28.738 -0.400 0.000 1.250 401 Q HN 0.520 nan 8.270 nan 0.000 0.481 402 D N -0.170 120.203 120.400 -0.045 0.000 2.513 402 D HA 0.446 5.086 4.640 -0.000 0.000 0.295 402 D C -0.353 176.019 176.300 0.120 0.000 1.202 402 D CA 0.218 54.267 54.000 0.082 0.000 0.849 402 D CB 0.064 40.907 40.800 0.071 0.000 1.116 402 D HN 0.357 nan 8.370 nan 0.000 0.502 403 C N -0.054 119.351 119.300 0.175 0.000 3.232 403 C HA 0.602 5.062 4.460 -0.000 0.000 0.315 403 C C -1.889 173.229 174.990 0.214 0.000 1.401 403 C CA -1.207 57.924 59.018 0.189 0.000 1.142 403 C CB 0.321 28.137 27.740 0.126 0.000 1.559 403 C HN 0.488 nan 8.230 nan 0.000 0.408 404 L N 0.574 121.894 121.223 0.162 0.000 2.611 404 L HA 0.720 5.060 4.340 -0.000 0.000 0.260 404 L C -1.691 175.225 176.870 0.076 0.000 0.924 404 L CA -0.313 54.599 54.840 0.119 0.000 0.901 404 L CB 1.946 44.060 42.059 0.091 0.000 1.369 404 L HN 0.796 nan 8.230 nan 0.000 0.415 405 V N 5.116 125.027 119.914 -0.004 0.000 2.409 405 V HA 0.475 4.595 4.120 -0.000 0.000 0.291 405 V C -0.476 175.626 176.094 0.013 0.000 1.020 405 V CA -0.511 61.746 62.300 -0.071 0.000 0.848 405 V CB 1.801 33.473 31.823 -0.253 0.000 0.990 405 V HN 0.556 nan 8.190 nan 0.000 0.430 406 L N 3.992 125.237 121.223 0.037 0.000 2.346 406 L HA 1.018 5.358 4.340 -0.000 0.000 0.274 406 L C -0.586 176.290 176.870 0.010 0.000 1.007 406 L CA -0.297 54.560 54.840 0.029 0.000 0.818 406 L CB 1.696 43.774 42.059 0.031 0.000 1.284 406 L HN 0.529 nan 8.230 nan 0.000 0.424 407 C N 0.303 119.601 119.300 -0.003 0.000 2.880 407 C HA 0.809 5.269 4.460 -0.000 0.000 0.320 407 C C -0.040 174.890 174.990 -0.100 0.000 1.176 407 C CA -0.552 58.435 59.018 -0.052 0.000 1.390 407 C CB 1.740 29.413 27.740 -0.113 0.000 1.846 407 C HN 0.955 nan 8.230 nan 0.000 0.478 408 S N 2.178 117.796 115.700 -0.138 0.000 2.566 408 S HA 0.794 5.264 4.470 -0.000 0.000 0.298 408 S C -2.718 171.700 174.600 -0.303 0.000 1.083 408 S CA -0.968 57.071 58.200 -0.268 0.000 0.978 408 S CB 1.749 64.782 63.200 -0.279 0.000 1.073 408 S HN 0.682 nan 8.310 nan 0.000 0.491 409 P HA 0.311 nan 4.420 nan 0.000 0.272 409 P C -2.925 174.339 177.300 -0.060 0.000 1.240 409 P CA -1.568 61.263 63.100 -0.447 0.000 0.791 409 P CB -0.632 30.827 31.700 -0.401 0.000 0.978 410 P HA 0.288 nan 4.420 nan 0.000 0.280 410 P C 1.140 178.374 177.300 -0.109 0.000 1.244 410 P CA -0.205 62.767 63.100 -0.213 0.000 0.784 410 P CB 0.465 31.873 31.700 -0.487 0.000 0.913 411 R N 2.110 122.440 120.500 -0.283 0.000 2.133 411 R HA -0.247 4.093 4.340 -0.000 0.000 0.245 411 R C 1.745 177.912 176.300 -0.221 0.000 1.137 411 R CA 1.941 57.828 56.100 -0.354 0.000 0.947 411 R CB -0.430 29.614 30.300 -0.427 0.000 0.865 411 R HN 0.619 nan 8.270 nan 0.000 0.437 412 E N -0.841 119.251 120.200 -0.181 0.000 2.149 412 E HA -0.298 4.052 4.350 -0.000 0.000 0.215 412 E C 1.876 178.414 176.600 -0.103 0.000 1.055 412 E CA 2.090 58.419 56.400 -0.117 0.000 0.870 412 E CB -0.268 29.392 29.700 -0.066 0.000 0.764 412 E HN 0.277 nan 8.360 nan 0.000 0.463 413 T N -0.960 113.509 114.554 -0.141 0.000 3.055 413 T HA 0.024 4.374 4.350 -0.000 0.000 0.265 413 T C 1.408 176.043 174.700 -0.109 0.000 1.111 413 T CA 0.592 62.618 62.100 -0.122 0.000 1.118 413 T CB 0.340 69.018 68.868 -0.316 0.000 0.909 413 T HN -0.038 nan 8.240 nan 0.000 0.501 414 V N -0.716 119.121 119.914 -0.130 0.000 3.368 414 V HA 0.214 4.334 4.120 -0.000 0.000 0.255 414 V C 2.021 177.992 176.094 -0.205 0.000 1.466 414 V CA 0.250 62.473 62.300 -0.128 0.000 1.095 414 V CB 1.031 32.797 31.823 -0.094 0.000 0.899 414 V HN 0.240 nan 8.190 nan 0.000 0.440 415 V N 0.541 120.265 119.914 -0.317 0.000 2.426 415 V HA 0.065 4.185 4.120 -0.000 0.000 0.242 415 V C 2.518 178.394 176.094 -0.364 0.000 1.036 415 V CA 2.200 64.159 62.300 -0.568 0.000 1.044 415 V CB -0.786 30.453 31.823 -0.973 0.000 0.688 415 V HN 0.534 nan 8.190 nan 0.000 0.462 416 G N 1.608 110.266 108.800 -0.237 0.000 2.464 416 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.214 416 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.214 416 G C 0.731 175.581 174.900 -0.083 0.000 1.218 416 G CA 1.097 46.120 45.100 -0.129 0.000 0.794 416 G HN 0.529 nan 8.290 nan 0.000 0.542 417 I N 0.758 121.285 120.570 -0.072 0.000 3.194 417 I HA 0.359 4.529 4.170 -0.000 0.000 0.283 417 I C -1.934 174.160 176.117 -0.039 0.000 1.199 417 I CA -3.347 57.928 61.300 -0.042 0.000 1.328 417 I CB -0.572 37.412 38.000 -0.027 0.000 1.404 417 I HN 0.013 nan 8.210 nan 0.000 0.618 418 P HA 0.164 nan 4.420 nan 0.000 0.276 418 P C 0.817 178.110 177.300 -0.012 0.000 1.252 418 P CA -0.468 62.624 63.100 -0.014 0.000 0.802 418 P CB 0.978 32.675 31.700 -0.006 0.000 1.035 419 V N 0.348 120.258 119.914 -0.007 0.000 2.392 419 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 419 V C 2.482 178.578 176.094 0.002 0.000 1.059 419 V CA 2.483 64.781 62.300 -0.004 0.000 1.051 419 V CB -1.948 29.875 31.823 0.000 0.000 0.658 419 V HN 0.621 nan 8.190 nan 0.000 0.455 420 T N 0.368 114.925 114.554 0.004 0.000 2.544 420 T HA -0.300 4.050 4.350 -0.000 0.000 0.264 420 T C 2.062 176.770 174.700 0.014 0.000 1.096 420 T CA 2.333 64.438 62.100 0.009 0.000 1.181 420 T CB -0.335 68.538 68.868 0.007 0.000 0.864 420 T HN 0.460 nan 8.240 nan 0.000 0.415 421 R N 0.932 121.439 120.500 0.013 0.000 2.091 421 R HA -0.042 4.297 4.340 -0.000 0.000 0.238 421 R C 2.840 179.156 176.300 0.028 0.000 1.136 421 R CA 1.209 57.321 56.100 0.021 0.000 0.959 421 R CB -0.706 29.604 30.300 0.015 0.000 0.856 421 R HN 0.417 nan 8.270 nan 0.000 0.437 422 A N 0.973 123.799 122.820 0.010 0.000 1.870 422 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 422 A C 2.411 180.003 177.584 0.013 0.000 1.224 422 A CA 2.304 54.341 52.037 -0.000 0.000 0.650 422 A CB -0.964 18.024 19.000 -0.019 0.000 0.836 422 A HN 0.152 nan 8.150 nan 0.000 0.454 423 V N 0.419 120.343 119.914 0.017 0.000 2.295 423 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 423 V C 2.228 178.352 176.094 0.050 0.000 1.049 423 V CA 2.200 64.515 62.300 0.025 0.000 1.024 423 V CB -1.059 30.777 31.823 0.021 0.000 0.648 423 V HN 0.516 nan 8.190 nan 0.000 0.447 424 D N 0.621 121.055 120.400 0.057 0.000 2.154 424 D HA -0.210 4.430 4.640 -0.000 0.000 0.190 424 D C 2.039 178.420 176.300 0.136 0.000 1.003 424 D CA 1.757 55.806 54.000 0.082 0.000 0.849 424 D CB -0.478 40.365 40.800 0.072 0.000 0.942 424 D HN 0.416 nan 8.370 nan 0.000 0.446 425 N N 0.574 119.366 118.700 0.153 0.000 2.025 425 N HA -0.138 4.602 4.740 -0.000 0.000 0.194 425 N C 2.216 177.783 175.510 0.094 0.000 1.044 425 N CA 0.460 53.664 53.050 0.256 0.000 0.851 425 N CB -0.820 37.785 38.487 0.198 0.000 1.036 425 N HN 0.227 nan 8.380 nan 0.000 0.422 426 L N 0.772 122.011 121.223 0.028 0.000 2.013 426 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 426 L C 2.175 179.127 176.870 0.136 0.000 1.073 426 L CA 1.093 55.962 54.840 0.048 0.000 0.753 426 L CB -0.261 41.818 42.059 0.034 0.000 0.890 426 L HN 0.017 nan 8.230 nan 0.000 0.432 427 V N -0.639 119.342 119.914 0.112 0.000 2.379 427 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 427 V C 2.107 178.279 176.094 0.130 0.000 1.044 427 V CA 1.651 64.013 62.300 0.104 0.000 1.036 427 V CB -0.809 31.058 31.823 0.074 0.000 0.664 427 V HN 0.464 nan 8.190 nan 0.000 0.453 428 N N -0.424 118.388 118.700 0.185 0.000 2.061 428 N HA -0.244 4.496 4.740 -0.000 0.000 0.193 428 N C 1.392 177.077 175.510 0.291 0.000 1.030 428 N CA 1.849 55.052 53.050 0.256 0.000 0.856 428 N CB -0.565 38.162 38.487 0.399 0.000 1.023 428 N HN 0.700 nan 8.380 nan 0.000 0.424 429 W N 2.247 123.551 121.300 0.007 0.000 2.363 429 W HA 0.008 4.668 4.660 -0.000 0.000 0.296 429 W C 1.664 178.201 176.519 0.030 0.000 1.212 429 W CA 0.948 58.231 57.345 -0.103 0.000 1.260 429 W CB -0.018 29.161 29.460 -0.468 0.000 1.131 429 W HN -0.058 nan 8.180 nan 0.000 0.530 430 R N -0.410 120.107 120.500 0.028 0.000 2.316 430 R HA -0.026 4.313 4.340 -0.000 0.000 0.202 430 R C 1.742 177.967 176.300 -0.125 0.000 1.029 430 R CA 1.502 57.540 56.100 -0.103 0.000 1.018 430 R CB -0.374 29.935 30.300 0.016 0.000 0.888 430 R HN 0.330 nan 8.270 nan 0.000 0.471 431 T N -2.904 111.616 114.554 -0.056 0.000 3.361 431 T HA 0.436 4.786 4.350 -0.000 0.000 0.241 431 T C 0.854 175.541 174.700 -0.021 0.000 0.998 431 T CA 0.993 63.065 62.100 -0.046 0.000 1.215 431 T CB 0.467 69.331 68.868 -0.006 0.000 1.196 431 T HN 0.162 nan 8.240 nan 0.000 0.376 432 A N 0.617 123.466 122.820 0.049 0.000 3.522 432 A HA 0.598 4.918 4.320 -0.000 0.000 0.113 432 A C 1.663 179.316 177.584 0.115 0.000 1.309 432 A CA 1.299 53.381 52.037 0.076 0.000 1.277 432 A CB -1.374 17.645 19.000 0.032 0.000 0.984 432 A HN 1.811 nan 8.150 nan 0.000 0.456 433 A N -1.171 121.695 122.820 0.076 0.000 5.264 433 A HA -0.049 4.271 4.320 -0.000 0.000 0.342 433 A C 2.605 180.231 177.584 0.070 0.000 1.706 433 A CA 3.625 55.706 52.037 0.074 0.000 0.706 433 A CB -1.977 17.078 19.000 0.092 0.000 1.455 433 A HN 2.541 nan 8.150 nan 0.000 0.402 434 G N -2.983 105.866 108.800 0.081 0.000 2.622 434 G HA2 0.213 4.173 3.960 -0.000 0.000 0.206 434 G HA3 0.213 4.173 3.960 -0.000 0.000 0.206 434 G C 1.613 176.495 174.900 -0.031 0.000 1.458 434 G CA 1.836 46.952 45.100 0.026 0.000 0.919 434 G HN 1.345 nan 8.290 nan 0.000 0.508 435 S N -0.097 115.510 115.700 -0.155 0.000 2.404 435 S HA 0.062 4.532 4.470 -0.000 0.000 0.223 435 S C 0.954 175.396 174.600 -0.264 0.000 1.040 435 S CA 0.429 58.438 58.200 -0.318 0.000 0.957 435 S CB -0.204 62.639 63.200 -0.594 0.000 0.826 435 S HN 0.428 nan 8.310 nan 0.000 0.491 436 Y N 2.132 122.505 120.300 0.122 0.000 2.826 436 Y HA 0.368 4.918 4.550 -0.000 0.000 0.371 436 Y C 1.754 177.743 175.900 0.149 0.000 1.252 436 Y CA -0.534 57.679 58.100 0.189 0.000 1.813 436 Y CB -0.765 37.917 38.460 0.370 0.000 1.913 436 Y HN 0.083 nan 8.280 nan 0.000 0.447 437 T N -1.049 113.611 114.554 0.177 0.000 2.937 437 T HA -0.115 4.235 4.350 -0.000 0.000 0.260 437 T C 1.053 175.821 174.700 0.114 0.000 1.051 437 T CA 2.008 64.180 62.100 0.122 0.000 1.141 437 T CB 0.082 68.990 68.868 0.067 0.000 0.879 437 T HN 0.533 nan 8.240 nan 0.000 0.459 438 D N 1.754 122.229 120.400 0.125 0.000 2.154 438 D HA 0.009 4.649 4.640 -0.000 0.000 0.211 438 D C 0.908 177.295 176.300 0.146 0.000 0.977 438 D CA 0.602 54.667 54.000 0.107 0.000 0.869 438 D CB -0.444 40.411 40.800 0.091 0.000 1.022 438 D HN 0.317 nan 8.370 nan 0.000 0.461 439 N N 2.327 121.159 118.700 0.220 0.000 3.254 439 N HA 0.027 4.767 4.740 -0.000 0.000 0.308 439 N C -0.333 175.422 175.510 0.409 0.000 1.281 439 N CA -0.019 53.211 53.050 0.300 0.000 1.212 439 N CB -0.483 38.201 38.487 0.328 0.000 1.478 439 N HN 0.464 nan 8.380 nan 0.000 0.548 440 N N -0.220 118.591 118.700 0.184 0.000 2.434 440 N HA 0.116 4.856 4.740 -0.000 0.000 0.266 440 N C -0.531 174.800 175.510 -0.298 0.000 1.223 440 N CA -0.413 52.597 53.050 -0.067 0.000 0.972 440 N CB 0.843 39.292 38.487 -0.063 0.000 1.207 440 N HN 0.025 nan 8.380 nan 0.000 0.525 441 F N 0.178 119.515 119.950 -1.021 0.000 2.850 441 F HA 0.297 4.823 4.527 -0.000 0.000 0.329 441 F C 0.200 175.661 175.800 -0.567 0.000 1.182 441 F CA -1.101 56.330 58.000 -0.948 0.000 1.270 441 F CB -0.690 37.153 39.000 -1.928 0.000 0.979 441 F HN 0.439 nan 8.300 nan 0.000 0.506 442 N N 3.382 121.806 118.700 -0.459 0.000 3.027 442 N HA 0.072 4.812 4.740 -0.000 0.000 0.309 442 N C -0.243 175.037 175.510 -0.383 0.000 1.222 442 N CA 0.283 53.110 53.050 -0.372 0.000 1.187 442 N CB -0.645 37.717 38.487 -0.210 0.000 1.458 442 N HN 0.593 nan 8.380 nan 0.000 0.535 443 I N -2.651 117.575 120.570 -0.574 0.000 3.206 443 I HA 0.614 4.784 4.170 -0.000 0.000 0.313 443 I C -0.393 175.484 176.117 -0.401 0.000 1.103 443 I CA -1.012 60.016 61.300 -0.454 0.000 0.985 443 I CB 2.045 39.728 38.000 -0.529 0.000 1.240 443 I HN -0.041 nan 8.210 nan 0.000 0.464 444 S N 2.002 117.543 115.700 -0.265 0.000 2.488 444 S HA 0.316 4.786 4.470 -0.000 0.000 0.151 444 S C -0.845 173.683 174.600 -0.119 0.000 1.401 444 S CA -0.371 57.717 58.200 -0.187 0.000 1.221 444 S CB 0.226 63.342 63.200 -0.141 0.000 1.407 444 S HN 0.832 nan 8.310 nan 0.000 0.406 445 S N 1.515 117.151 115.700 -0.105 0.000 2.565 445 S HA 0.469 4.939 4.470 -0.000 0.000 0.290 445 S C 1.517 176.114 174.600 -0.005 0.000 1.150 445 S CA 0.188 58.377 58.200 -0.018 0.000 1.058 445 S CB 1.406 64.614 63.200 0.012 0.000 1.032 445 S HN 0.780 nan 8.310 nan 0.000 0.510 446 T N 2.262 116.826 114.554 0.018 0.000 3.072 446 T HA 0.029 4.379 4.350 -0.000 0.000 0.266 446 T C 0.827 175.379 174.700 -0.247 0.000 1.127 446 T CA 0.883 62.911 62.100 -0.121 0.000 1.107 446 T CB -0.471 68.287 68.868 -0.184 0.000 0.910 446 T HN 0.721 nan 8.240 nan 0.000 0.513 447 Y N 1.339 121.595 120.300 -0.074 0.000 2.478 447 Y HA 0.621 5.171 4.550 -0.000 0.000 0.261 447 Y C 1.546 177.399 175.900 -0.079 0.000 1.127 447 Y CA -0.697 57.355 58.100 -0.081 0.000 1.288 447 Y CB 0.036 38.429 38.460 -0.112 0.000 1.084 447 Y HN 0.319 nan 8.280 nan 0.000 0.530 448 A N 1.168 124.020 122.820 0.053 0.000 2.302 448 A HA 0.709 5.029 4.320 -0.000 0.000 0.295 448 A C -0.075 177.529 177.584 0.033 0.000 1.235 448 A CA -0.106 51.953 52.037 0.037 0.000 0.876 448 A CB -0.335 18.663 19.000 -0.004 0.000 1.133 448 A HN 0.230 nan 8.150 nan 0.000 0.533 449 A N 3.766 126.616 122.820 0.050 0.000 2.311 449 A HA 0.623 4.942 4.320 -0.000 0.000 0.306 449 A C -0.060 177.563 177.584 0.067 0.000 1.189 449 A CA -0.461 51.596 52.037 0.035 0.000 0.791 449 A CB 0.354 19.359 19.000 0.009 0.000 1.172 449 A HN 1.031 nan 8.150 nan 0.000 0.481 450 I N 0.756 121.380 120.570 0.090 0.000 3.210 450 I HA 0.662 4.832 4.170 -0.000 0.000 0.316 450 I C -1.006 175.115 176.117 0.007 0.000 1.067 450 I CA -0.540 60.809 61.300 0.081 0.000 1.047 450 I CB 1.978 40.095 38.000 0.195 0.000 1.352 450 I HN 0.709 nan 8.210 nan 0.000 0.565 451 D N 1.314 121.686 120.400 -0.046 0.000 2.738 451 D HA 0.436 5.076 4.640 -0.000 0.000 0.218 451 D C -0.115 176.053 176.300 -0.218 0.000 1.345 451 D CA -0.147 53.783 54.000 -0.118 0.000 0.943 451 D CB 1.688 42.408 40.800 -0.134 0.000 1.514 451 D HN 0.620 nan 8.370 nan 0.000 0.585 452 G N 3.042 111.733 108.800 -0.182 0.000 2.759 452 G HA2 0.138 4.098 3.960 -0.000 0.000 0.208 452 G HA3 0.138 4.098 3.960 -0.000 0.000 0.208 452 G C 0.442 175.259 174.900 -0.138 0.000 1.076 452 G CA 0.020 45.047 45.100 -0.122 0.000 0.789 452 G HN 0.564 nan 8.290 nan 0.000 0.546 453 N N -1.884 116.719 118.700 -0.162 0.000 3.550 453 N HA 0.511 5.251 4.740 -0.000 0.000 0.357 453 N C -1.566 173.780 175.510 -0.273 0.000 1.585 453 N CA -0.862 52.090 53.050 -0.163 0.000 0.651 453 N CB 0.970 39.442 38.487 -0.025 0.000 2.273 453 N HN 0.005 nan 8.380 nan 0.000 0.631 454 Y N -0.043 120.276 120.300 0.033 0.000 2.441 454 Y HA 0.285 4.835 4.550 -0.000 0.000 0.334 454 Y C -0.668 175.474 175.900 0.403 0.000 1.061 454 Y CA -1.061 57.107 58.100 0.113 0.000 1.032 454 Y CB 2.334 40.784 38.460 -0.017 0.000 1.266 454 Y HN 0.387 nan 8.280 nan 0.000 0.441 455 K N 2.854 123.618 120.400 0.606 0.000 2.118 455 K HA 0.231 4.551 4.320 -0.000 0.000 0.264 455 K C -1.790 175.084 176.600 0.457 0.000 1.000 455 K CA -0.441 56.135 56.287 0.481 0.000 0.929 455 K CB 0.944 33.609 32.500 0.274 0.000 1.021 455 K HN 0.776 nan 8.250 nan 0.000 0.463 456 Y N 3.087 123.335 120.300 -0.088 0.000 2.587 456 Y HA 0.179 4.729 4.550 -0.000 0.000 0.328 456 Y C -0.189 175.547 175.900 -0.273 0.000 0.980 456 Y CA -0.316 57.416 58.100 -0.613 0.000 1.272 456 Y CB 0.917 38.612 38.460 -1.276 0.000 1.094 456 Y HN 0.707 nan 8.280 nan 0.000 0.503 457 Q N 3.216 122.794 119.800 -0.369 0.000 2.166 457 Q HA 0.327 4.667 4.340 -0.000 0.000 0.226 457 Q C -1.612 174.228 176.000 -0.266 0.000 0.989 457 Q CA -0.985 54.702 55.803 -0.192 0.000 0.966 457 Q CB 1.462 30.166 28.738 -0.057 0.000 1.173 457 Q HN 0.712 nan 8.270 nan 0.000 0.509 458 Y N 0.507 120.682 120.300 -0.209 0.000 2.377 458 Y HA 0.298 4.848 4.550 -0.000 0.000 0.339 458 Y C -1.208 174.624 175.900 -0.114 0.000 1.011 458 Y CA -0.909 57.078 58.100 -0.188 0.000 1.093 458 Y CB 1.627 40.010 38.460 -0.129 0.000 1.201 458 Y HN 0.529 nan 8.280 nan 0.000 0.455 459 D N 6.398 126.289 120.400 -0.848 0.000 2.499 459 D HA 0.075 4.715 4.640 -0.000 0.000 0.225 459 D C 0.747 176.550 176.300 -0.828 0.000 1.124 459 D CA -0.341 53.309 54.000 -0.583 0.000 0.938 459 D CB 0.737 41.336 40.800 -0.335 0.000 1.014 459 D HN 0.837 nan 8.370 nan 0.000 0.517 460 K N 2.396 122.414 120.400 -0.635 0.000 2.362 460 K HA -0.224 4.096 4.320 -0.000 0.000 0.202 460 K C 0.379 176.717 176.600 -0.437 0.000 1.045 460 K CA 1.082 57.123 56.287 -0.409 0.000 0.936 460 K CB -0.153 32.238 32.500 -0.182 0.000 0.747 460 K HN 0.352 nan 8.250 nan 0.000 0.467 461 Y N 1.629 121.782 120.300 -0.244 0.000 2.186 461 Y HA 0.044 4.594 4.550 -0.000 0.000 0.286 461 Y C 2.230 178.012 175.900 -0.197 0.000 1.109 461 Y CA 0.983 58.956 58.100 -0.210 0.000 1.099 461 Y CB -0.433 37.848 38.460 -0.298 0.000 1.030 461 Y HN 0.085 nan 8.280 nan 0.000 0.495 462 N N 0.209 118.875 118.700 -0.057 0.000 2.512 462 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 462 N C -0.198 175.237 175.510 -0.124 0.000 1.073 462 N CA 1.525 54.522 53.050 -0.089 0.000 0.911 462 N CB -0.327 38.100 38.487 -0.099 0.000 0.964 462 N HN 0.316 nan 8.380 nan 0.000 0.447 463 D N -0.322 119.943 120.400 -0.225 0.000 2.739 463 D HA -0.143 4.497 4.640 -0.000 0.000 0.240 463 D C -1.382 174.804 176.300 -0.191 0.000 1.114 463 D CA 0.302 54.166 54.000 -0.227 0.000 0.695 463 D CB -1.079 39.692 40.800 -0.049 0.000 1.078 463 D HN -0.050 nan 8.370 nan 0.000 0.434 464 V N 0.143 119.864 119.914 -0.322 0.000 3.049 464 V HA 0.543 4.663 4.120 -0.000 0.000 0.309 464 V C 0.297 176.235 176.094 -0.260 0.000 1.148 464 V CA -1.294 60.893 62.300 -0.188 0.000 0.990 464 V CB 2.166 33.911 31.823 -0.129 0.000 1.039 464 V HN 0.146 nan 8.190 nan 0.000 0.430 465 N N 3.008 121.604 118.700 -0.173 0.000 2.514 465 N HA 0.530 5.270 4.740 -0.000 0.000 0.277 465 N C -0.388 174.800 175.510 -0.536 0.000 1.126 465 N CA -0.218 52.601 53.050 -0.386 0.000 0.978 465 N CB 1.429 39.743 38.487 -0.289 0.000 1.106 465 N HN 0.740 nan 8.380 nan 0.000 0.461 466 R N 1.498 121.528 120.500 -0.783 0.000 2.626 466 R HA 0.271 4.610 4.340 -0.000 0.000 0.274 466 R C -1.498 174.510 176.300 -0.486 0.000 1.031 466 R CA -0.672 55.153 56.100 -0.458 0.000 0.898 466 R CB 1.145 31.305 30.300 -0.233 0.000 1.222 466 R HN 0.466 nan 8.270 nan 0.000 0.455 467 W N 4.234 125.483 121.300 -0.085 0.000 2.322 467 W HA 0.384 5.044 4.660 -0.000 0.000 0.307 467 W C 0.119 176.602 176.519 -0.060 0.000 1.220 467 W CA -0.279 57.071 57.345 0.007 0.000 1.210 467 W CB 1.621 31.109 29.460 0.047 0.000 1.223 467 W HN 0.310 nan 8.180 nan 0.000 0.511 468 V N 2.026 122.091 119.914 0.251 0.000 2.876 468 V HA 0.641 4.761 4.120 -0.000 0.000 0.312 468 V C -2.437 173.832 176.094 0.292 0.000 1.085 468 V CA -3.509 58.880 62.300 0.148 0.000 0.945 468 V CB 1.771 33.660 31.823 0.110 0.000 1.017 468 V HN 0.321 nan 8.190 nan 0.000 0.428 469 P HA 0.028 nan 4.420 nan 0.000 0.264 469 P C 0.352 177.853 177.300 0.334 0.000 1.193 469 P CA 0.089 63.576 63.100 0.644 0.000 0.763 469 P CB 1.174 33.108 31.700 0.389 0.000 0.810 470 L N 4.716 126.062 121.223 0.205 0.000 2.240 470 L HA -0.027 4.313 4.340 -0.000 0.000 0.211 470 L C 2.447 179.350 176.870 0.054 0.000 1.106 470 L CA 1.724 56.626 54.840 0.104 0.000 0.793 470 L CB -1.704 40.376 42.059 0.036 0.000 0.927 470 L HN 0.438 nan 8.230 nan 0.000 0.446 471 A N 0.044 122.872 122.820 0.013 0.000 1.884 471 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 471 A C 2.514 180.135 177.584 0.061 0.000 1.197 471 A CA 2.392 54.437 52.037 0.014 0.000 0.637 471 A CB -1.306 17.693 19.000 -0.000 0.000 0.827 471 A HN 0.541 nan 8.150 nan 0.000 0.450 472 A N -0.666 122.209 122.820 0.093 0.000 1.971 472 A HA -0.325 3.995 4.320 -0.000 0.000 0.222 472 A C 1.958 179.660 177.584 0.196 0.000 1.182 472 A CA 2.427 54.541 52.037 0.129 0.000 0.649 472 A CB -0.663 18.415 19.000 0.129 0.000 0.818 472 A HN 0.640 nan 8.150 nan 0.000 0.458 473 D N -0.031 120.458 120.400 0.148 0.000 2.106 473 D HA -0.108 4.532 4.640 -0.000 0.000 0.203 473 D C 2.063 178.309 176.300 -0.091 0.000 0.977 473 D CA 1.514 55.587 54.000 0.122 0.000 0.844 473 D CB -0.311 40.573 40.800 0.140 0.000 1.002 473 D HN 0.580 nan 8.370 nan 0.000 0.461 474 I N -0.606 119.918 120.570 -0.077 0.000 2.399 474 I HA -0.241 3.929 4.170 -0.000 0.000 0.254 474 I C 2.242 178.288 176.117 -0.119 0.000 1.146 474 I CA 1.655 62.873 61.300 -0.137 0.000 1.412 474 I CB -0.448 37.513 38.000 -0.065 0.000 1.076 474 I HN -0.096 nan 8.210 nan 0.000 0.432 475 A N 1.919 124.742 122.820 0.005 0.000 1.902 475 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 475 A C 2.432 180.096 177.584 0.133 0.000 1.181 475 A CA 1.828 53.929 52.037 0.106 0.000 0.623 475 A CB -1.581 17.529 19.000 0.183 0.000 0.818 475 A HN 0.563 nan 8.150 nan 0.000 0.443 476 G N -0.715 108.121 108.800 0.060 0.000 2.422 476 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.218 476 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.218 476 G C 1.334 175.948 174.900 -0.477 0.000 1.140 476 G CA 0.958 45.833 45.100 -0.374 0.000 0.775 476 G HN 0.422 nan 8.290 nan 0.000 0.545 477 L N 0.348 121.131 121.223 -0.733 0.000 2.456 477 L HA 0.089 4.429 4.340 -0.000 0.000 0.224 477 L C 2.310 179.045 176.870 -0.225 0.000 1.148 477 L CA 0.777 55.262 54.840 -0.592 0.000 0.825 477 L CB -0.321 41.417 42.059 -0.534 0.000 0.937 477 L HN 0.258 nan 8.230 nan 0.000 0.450 478 C N -2.167 117.048 119.300 -0.141 0.000 2.541 478 C HA 0.204 4.664 4.460 -0.000 0.000 0.284 478 C C 2.853 177.833 174.990 -0.018 0.000 1.341 478 C CA 0.184 59.172 59.018 -0.050 0.000 1.732 478 C CB -0.974 26.761 27.740 -0.008 0.000 2.126 478 C HN 0.626 nan 8.230 nan 0.000 0.505 479 A N 0.907 123.726 122.820 -0.001 0.000 2.042 479 A HA -0.185 4.135 4.320 -0.000 0.000 0.222 479 A C 2.086 179.672 177.584 0.003 0.000 1.167 479 A CA 1.605 53.656 52.037 0.023 0.000 0.649 479 A CB -0.371 18.647 19.000 0.030 0.000 0.809 479 A HN 0.560 nan 8.150 nan 0.000 0.457 480 R N -0.178 120.311 120.500 -0.017 0.000 1.633 480 R HA 0.046 4.386 4.340 -0.000 0.000 0.129 480 R C 0.441 176.740 176.300 -0.001 0.000 0.840 480 R CA 0.842 56.943 56.100 0.002 0.000 1.694 480 R CB -1.588 28.724 30.300 0.020 0.000 0.620 480 R HN 0.357 nan 8.270 nan 0.000 0.667 481 T N 2.803 117.352 114.554 -0.007 0.000 2.777 481 T HA -0.088 4.261 4.350 -0.000 0.000 0.273 481 T C 0.085 174.782 174.700 -0.004 0.000 1.016 481 T CA 0.483 62.579 62.100 -0.006 0.000 1.156 481 T CB -0.261 68.599 68.868 -0.014 0.000 1.019 481 T HN 0.253 nan 8.240 nan 0.000 0.503 482 D N 1.681 122.082 120.400 0.000 0.000 3.343 482 D HA -0.187 4.453 4.640 -0.000 0.000 0.231 482 D C 0.309 176.613 176.300 0.007 0.000 1.749 482 D CA 1.382 55.384 54.000 0.002 0.000 1.081 482 D CB -0.487 40.312 40.800 -0.002 0.000 0.753 482 D HN 0.774 nan 8.370 nan 0.000 0.889 483 N N -0.520 118.185 118.700 0.009 0.000 2.483 483 N HA 0.589 5.329 4.740 -0.000 0.000 0.285 483 N C -0.242 175.278 175.510 0.018 0.000 1.210 483 N CA -0.520 52.540 53.050 0.016 0.000 0.931 483 N CB 1.122 39.621 38.487 0.020 0.000 1.220 483 N HN 0.435 nan 8.380 nan 0.000 0.542 497 G N 1.900 110.702 108.800 0.002 0.000 3.313 497 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.659 497 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.659 497 G C -0.747 174.171 174.900 0.031 0.000 1.286 497 G CA -1.015 44.095 45.100 0.016 0.000 1.077 497 G HN 0.039 nan 8.290 nan 0.000 0.551 498 Q N 0.478 120.301 119.800 0.039 0.000 2.394 498 Q HA 0.297 4.637 4.340 -0.000 0.000 0.303 498 Q C 1.457 177.509 176.000 0.087 0.000 1.117 498 Q CA 0.240 56.074 55.803 0.052 0.000 0.966 498 Q CB 0.342 29.107 28.738 0.045 0.000 1.275 498 Q HN 1.016 nan 8.270 nan 0.000 0.429 499 I N 1.634 122.263 120.570 0.098 0.000 2.677 499 I HA 0.094 4.264 4.170 -0.000 0.000 0.305 499 I C 0.672 176.876 176.117 0.145 0.000 0.988 499 I CA -0.361 61.038 61.300 0.164 0.000 1.260 499 I CB 0.216 38.302 38.000 0.144 0.000 1.410 499 I HN 0.742 nan 8.210 nan 0.000 0.523 500 L N 2.726 124.053 121.223 0.174 0.000 1.982 500 L HA -0.117 4.223 4.340 -0.000 0.000 0.206 500 L C 1.332 178.229 176.870 0.045 0.000 1.078 500 L CA 1.703 56.579 54.840 0.059 0.000 0.749 500 L CB -0.717 41.308 42.059 -0.057 0.000 0.894 500 L HN 0.678 nan 8.230 nan 0.000 0.436 501 N N -1.152 117.584 118.700 0.059 0.000 2.214 501 N HA 0.150 4.890 4.740 -0.000 0.000 0.214 501 N C -0.094 175.451 175.510 0.058 0.000 1.132 501 N CA -0.150 52.928 53.050 0.046 0.000 0.856 501 N CB 0.041 38.556 38.487 0.048 0.000 1.020 501 N HN -0.052 nan 8.380 nan 0.000 0.509 502 V N 1.735 121.694 119.914 0.075 0.000 3.178 502 V HA -0.005 4.115 4.120 -0.000 0.000 0.306 502 V C 1.488 177.621 176.094 0.065 0.000 1.107 502 V CA 0.485 62.834 62.300 0.081 0.000 1.195 502 V CB 0.642 32.523 31.823 0.098 0.000 0.993 502 V HN 0.465 nan 8.190 nan 0.000 0.493 503 I N -0.891 119.727 120.570 0.080 0.000 4.453 503 I HA 0.555 4.725 4.170 -0.000 0.000 0.342 503 I C -0.120 176.048 176.117 0.086 0.000 1.341 503 I CA -0.169 61.178 61.300 0.079 0.000 1.217 503 I CB 0.192 38.246 38.000 0.090 0.000 1.545 503 I HN 0.620 nan 8.210 nan 0.000 0.557 504 K N 1.702 122.156 120.400 0.090 0.000 2.806 504 K HA 0.401 4.721 4.320 -0.000 0.000 0.293 504 K C -2.289 174.405 176.600 0.157 0.000 1.135 504 K CA -0.551 55.771 56.287 0.060 0.000 0.960 504 K CB 1.452 33.883 32.500 -0.114 0.000 1.374 504 K HN 0.260 nan 8.250 nan 0.000 0.400 505 L N 2.749 124.099 121.223 0.212 0.000 2.341 505 L HA 0.561 4.901 4.340 -0.000 0.000 0.267 505 L C 1.376 178.469 176.870 0.373 0.000 1.009 505 L CA -0.586 54.450 54.840 0.328 0.000 0.819 505 L CB 1.762 43.939 42.059 0.195 0.000 1.323 505 L HN 0.933 nan 8.230 nan 0.000 0.425 506 A N 2.994 126.032 122.820 0.364 0.000 1.948 506 A HA -0.048 4.272 4.320 -0.000 0.000 0.220 506 A C 0.784 178.401 177.584 0.055 0.000 1.177 506 A CA 1.479 53.563 52.037 0.078 0.000 0.636 506 A CB -0.486 18.426 19.000 -0.147 0.000 0.815 506 A HN 0.628 nan 8.150 nan 0.000 0.449 507 I N -4.719 115.890 120.570 0.064 0.000 2.769 507 I HA 0.805 4.975 4.170 -0.000 0.000 0.298 507 I C -1.377 174.769 176.117 0.049 0.000 1.128 507 I CA -0.752 60.571 61.300 0.039 0.000 1.031 507 I CB 2.368 40.374 38.000 0.010 0.000 1.235 507 I HN 0.041 nan 8.210 nan 0.000 0.423 508 E N 2.676 122.900 120.200 0.039 0.000 2.347 508 E HA 0.268 4.618 4.350 -0.000 0.000 0.285 508 E C -0.517 176.098 176.600 0.025 0.000 0.925 508 E CA -0.165 56.257 56.400 0.037 0.000 0.779 508 E CB 2.633 32.361 29.700 0.047 0.000 1.233 508 E HN 0.888 nan 8.360 nan 0.000 0.414 509 T N -1.068 113.498 114.554 0.021 0.000 3.075 509 T HA 0.344 4.694 4.350 -0.000 0.000 0.251 509 T C -1.120 173.588 174.700 0.014 0.000 0.979 509 T CA -0.035 62.077 62.100 0.020 0.000 1.033 509 T CB -0.301 68.580 68.868 0.021 0.000 1.104 509 T HN 0.358 nan 8.240 nan 0.000 0.473 510 P HA 0.000 nan 4.420 nan 0.000 0.216 510 P CA 0.000 63.107 63.100 0.012 0.000 0.800 510 P CB 0.000 31.706 31.700 0.011 0.000 0.726