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_C 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 0.670 119.385 118.700 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 1.556 54.620 53.050 0.022 0.000 0.727 22 N CB -1.915 36.584 38.487 0.020 0.000 1.083 22 N HN 1.106 nan 8.380 nan 0.000 0.555 23 S N -3.886 111.832 115.700 0.030 0.000 3.807 23 S HA -0.224 4.246 4.470 -0.000 0.000 0.304 23 S C 0.205 174.832 174.600 0.045 0.000 1.152 23 S CA 2.011 60.232 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 1.872 nan 8.310 nan 0.000 0.545 24 T N -0.758 113.823 114.554 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 0.394 4.354 3.960 -0.000 0.000 0.288 25 G HA3 0.394 4.354 3.960 -0.000 0.000 0.288 25 G C 0.227 175.208 174.900 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 1.706 116.323 114.554 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 0.037 0.000 0.956 26 T CA -0.036 62.112 62.100 0.079 0.000 0.987 26 T CB 1.410 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 0.067 177.437 177.584 -0.357 0.000 1.121 27 A CA -0.701 51.214 52.037 -0.205 0.000 0.851 27 A CB 0.450 19.097 19.000 -0.588 0.000 1.167 27 A HN 1.050 nan 8.150 nan 0.000 0.503 28 A N -0.615 121.892 122.820 -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 1.930 122.928 121.223 -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 2.057 44.017 42.059 -0.165 0.000 1.317 29 L HN 1.465 nan 8.230 nan 0.000 0.407 30 A N 2.878 125.017 122.820 -1.134 0.000 2.422 30 A HA 1.005 5.325 4.320 -0.000 0.000 0.302 30 A C -0.410 176.682 177.584 -0.820 0.000 1.041 30 A CA 0.185 51.493 52.037 -1.215 0.000 0.708 30 A CB 1.516 19.315 19.000 -2.002 0.000 1.257 30 A HN 1.370 nan 8.150 nan 0.000 0.414 31 G N 0.801 109.106 108.800 -0.826 0.000 2.342 31 G HA2 0.470 4.430 3.960 -0.000 0.000 0.297 31 G HA3 0.470 4.430 3.960 -0.000 0.000 0.297 31 G C -1.618 172.295 174.900 -1.644 0.000 1.313 31 G CA -0.968 43.413 45.100 -1.199 0.000 0.830 31 G HN 0.735 nan 8.290 nan 0.000 0.506 32 K N 0.049 119.287 120.400 -1.938 0.000 2.276 32 K HA 0.610 4.930 4.320 -0.000 0.000 0.283 32 K C -1.180 174.751 176.600 -1.116 0.000 1.044 32 K CA 0.105 55.684 56.287 -1.181 0.000 0.944 32 K CB 1.101 33.147 32.500 -0.755 0.000 1.012 32 K HN 0.322 nan 8.250 nan 0.000 0.472 33 F N 0.184 120.005 119.950 -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 40.949 39.000 0.069 0.000 1.322 33 F HN 0.487 nan 8.300 nan 0.000 0.479 34 Q N 0.720 120.729 119.800 0.348 0.000 2.435 34 Q HA -0.024 4.316 4.340 -0.000 0.000 0.207 34 Q C -0.835 175.385 176.000 0.366 0.000 0.956 34 Q CA 0.800 56.751 55.803 0.247 0.000 0.917 34 Q CB 0.548 29.386 28.738 0.168 0.000 0.997 34 Q HN 0.577 nan 8.270 nan 0.000 0.497 35 W N -0.509 120.816 121.300 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 -0.657 56.620 57.345 -0.113 0.000 1.224 35 W CB 1.208 30.563 29.460 -0.175 0.000 1.348 35 W HN 0.033 nan 8.180 nan 0.000 0.498 36 G N 4.353 112.624 108.800 -0.881 0.000 2.631 36 G HA2 0.290 4.250 3.960 -0.000 0.000 0.271 36 G HA3 0.290 4.250 3.960 -0.000 0.000 0.271 36 G C -2.451 171.237 174.900 -2.019 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 -0.524 176.609 177.300 -0.279 0.000 1.205 37 P CA 0.124 62.927 63.100 -0.494 0.000 0.771 37 P CB 1.017 32.594 31.700 -0.205 0.000 0.858 38 A N 3.951 126.664 122.820 -0.178 0.000 2.301 38 A HA 0.513 4.833 4.320 -0.000 0.000 0.298 38 A C 0.010 177.529 177.584 -0.108 0.000 1.185 38 A CA -0.664 51.253 52.037 -0.199 0.000 0.830 38 A CB -0.725 18.228 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 0.572 176.104 175.800 -0.445 0.000 0.995 39 F CA 1.456 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 0.316 119.953 119.800 -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 2.213 122.755 120.570 -0.048 0.000 2.528 41 I HA 0.051 4.221 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 -0.127 61.149 61.300 -0.040 0.000 1.858 41 I CB -1.261 36.730 38.000 -0.015 0.000 1.448 41 I HN 0.322 nan 8.210 nan 0.000 0.776 42 K N 3.116 123.535 120.400 0.031 0.000 2.401 42 K HA 0.021 4.341 4.320 -0.000 0.000 0.278 42 K C 0.060 176.700 176.600 0.065 0.000 1.018 42 K CA 0.255 56.583 56.287 0.069 0.000 0.981 42 K CB 0.512 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 2.419 122.253 119.800 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 2.569 122.489 119.914 0.010 0.000 2.709 44 V HA 0.328 4.448 4.120 -0.000 0.000 0.308 44 V C -0.116 175.991 176.094 0.021 0.000 1.062 44 V CA -0.404 61.902 62.300 0.010 0.000 0.901 44 V CB 2.128 33.918 31.823 -0.055 0.000 1.003 44 V HN 1.056 nan 8.190 nan 0.000 0.425 45 T N 1.693 116.266 114.554 0.032 0.000 3.028 45 T HA 0.198 4.548 4.350 -0.000 0.000 0.250 45 T C 0.525 175.250 174.700 0.042 0.000 0.979 45 T CA 0.049 62.177 62.100 0.047 0.000 1.004 45 T CB 0.254 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 1.153 119.871 118.700 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 52.505 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 0.125 nan 8.380 nan 0.000 0.565 47 E N 0.104 120.323 120.200 0.031 0.000 2.021 47 E HA -0.044 4.306 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 0.715 57.139 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 0.283 nan 8.360 nan 0.000 0.449 48 V N 1.810 121.780 119.914 0.094 0.000 3.140 48 V HA -0.178 3.942 4.120 -0.000 0.000 0.269 48 V C 1.566 177.704 176.094 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 0.083 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 1.750 178.071 176.300 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 -1.458 119.773 121.223 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 0.870 55.720 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 -0.182 nan 8.230 nan 0.000 0.452 51 V N 1.543 121.500 119.914 0.071 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 2.160 64.554 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 0.685 nan 8.190 nan 0.000 0.445 52 N N 0.248 118.972 118.700 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 0.572 nan 8.380 nan 0.000 0.435 53 T N -2.402 112.115 114.554 -0.061 0.000 3.018 53 T HA 0.242 4.592 4.350 -0.000 0.000 0.246 53 T C 0.031 174.383 174.700 -0.580 0.000 1.026 53 T CA 0.250 62.162 62.100 -0.314 0.000 1.081 53 T CB 0.252 68.825 68.868 -0.492 0.000 0.970 53 T HN 0.198 nan 8.240 nan 0.000 0.475 54 F N 0.578 120.477 119.950 -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 -0.034 38.593 39.000 -0.622 0.000 1.147 54 F HN 0.108 nan 8.300 nan 0.000 0.513 55 G N 0.106 109.016 108.800 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 0.072 0.000 1.169 55 G CA 1.134 46.350 45.100 0.193 0.000 0.771 55 G HN 0.247 nan 8.290 nan 0.000 0.598 56 Q N -0.029 119.637 119.800 -0.222 0.000 2.297 56 Q HA 0.407 4.747 4.340 -0.000 0.000 0.268 56 Q C -2.773 172.892 176.000 -0.558 0.000 1.045 56 Q CA -2.039 53.355 55.803 -0.682 0.000 0.861 56 Q CB 2.223 30.770 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 -0.366 176.843 177.300 -0.152 0.000 1.354 57 P CA -0.273 62.627 63.100 -0.335 0.000 0.814 57 P CB 0.666 32.130 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 0.419 4.769 4.350 -0.000 0.000 0.282 58 T C 1.348 176.046 174.700 -0.002 0.000 0.993 58 T CA -0.284 61.802 62.100 -0.024 0.000 0.994 58 T CB 0.684 69.553 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 0.101 4.421 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 1.398 53.437 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 -2.084 118.135 120.200 0.032 0.000 2.511 60 E HA 0.098 4.448 4.350 -0.000 0.000 0.209 60 E C 1.350 177.996 176.600 0.077 0.000 0.986 60 E CA 1.021 57.447 56.400 0.042 0.000 0.974 60 E CB 0.356 30.067 29.700 0.018 0.000 1.030 60 E HN 0.317 nan 8.360 nan 0.000 0.490 61 T N -0.788 113.824 114.554 0.097 0.000 2.999 61 T HA 0.291 4.640 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 62.624 62.100 0.171 0.000 1.048 61 T CB 0.017 68.982 68.868 0.162 0.000 1.020 61 T HN 0.221 nan 8.240 nan 0.000 0.478 62 A N 2.798 125.706 122.820 0.147 0.000 1.861 62 A HA -0.361 3.959 4.320 -0.000 0.000 0.248 62 A C 1.804 179.477 177.584 0.149 0.000 2.075 62 A CA 2.643 54.748 52.037 0.113 0.000 0.818 62 A CB -1.265 17.756 19.000 0.035 0.000 0.844 62 A HN 0.417 nan 8.150 nan 0.000 0.498 63 D N -2.126 118.294 120.400 0.033 0.000 2.354 63 D HA -0.079 4.561 4.640 -0.000 0.000 0.216 63 D C 1.402 177.590 176.300 -0.187 0.000 0.970 63 D CA 1.188 55.117 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 -1.620 118.738 120.300 0.097 0.000 2.441 64 Y HA 0.114 4.664 4.550 -0.000 0.000 0.288 64 Y C 1.902 178.004 175.900 0.337 0.000 1.118 64 Y CA -0.270 57.899 58.100 0.115 0.000 1.215 64 Y CB -0.446 37.890 38.460 -0.208 0.000 1.118 64 Y HN -0.114 nan 8.280 nan 0.000 0.547 65 F N 0.443 120.627 119.950 0.390 0.000 2.031 65 F HA -0.307 4.220 4.527 -0.000 0.000 0.295 65 F C 2.290 178.168 175.800 0.129 0.000 1.133 65 F CA 1.702 59.832 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 0.280 120.143 119.600 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 2.038 57.507 55.300 0.281 0.000 1.096 66 M CB -1.253 31.463 32.600 0.193 0.000 1.300 66 M HN 0.229 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 -0.288 4.182 4.470 -0.000 0.000 0.234 67 S C 1.870 176.526 174.600 0.092 0.000 1.063 67 S CA 1.897 60.158 58.200 0.102 0.000 1.108 67 S CB -0.617 62.621 63.200 0.064 0.000 0.975 67 S HN 0.606 nan 8.310 nan 0.000 0.442 68 A N 1.364 124.195 122.820 0.018 0.000 1.825 68 A HA -0.041 4.279 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 1.788 53.785 52.037 -0.067 0.000 0.609 68 A CB -1.060 17.786 19.000 -0.257 0.000 0.851 68 A HN 0.593 nan 8.150 nan 0.000 0.445 69 M N 0.843 120.389 119.600 -0.090 0.000 2.471 69 M HA -0.282 4.198 4.480 -0.000 0.000 0.260 69 M C 1.590 177.964 176.300 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 0.683 nan 8.290 nan 0.000 0.457 70 N N 0.359 119.159 118.700 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 0.692 53.849 53.050 0.177 0.000 0.884 70 N CB -0.945 37.648 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 1.503 177.404 175.800 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 1.602 123.000 121.223 0.292 0.000 2.651 72 L HA -0.166 4.174 4.340 -0.000 0.000 0.236 72 L C 1.995 178.799 176.870 -0.112 0.000 1.173 72 L CA 1.148 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 1.293 176.946 176.000 -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 -0.113 174.760 174.900 -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 0.081 175.665 175.510 0.124 0.000 1.046 76 N CA 0.580 53.675 53.050 0.076 0.000 0.898 76 N CB 0.064 38.590 38.487 0.065 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 0.439 5.079 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 43.014 40.800 0.083 0.000 1.388 77 D HN 0.016 nan 8.370 nan 0.000 0.475 78 L N 1.625 122.871 121.223 0.038 0.000 2.410 78 L HA 0.527 4.867 4.340 -0.000 0.000 0.270 78 L C -1.105 175.705 176.870 -0.101 0.000 0.983 78 L CA -0.456 54.314 54.840 -0.116 0.000 0.822 78 L CB 1.652 43.586 42.059 -0.209 0.000 1.285 78 L HN 0.320 nan 8.230 nan 0.000 0.409 79 R N 4.824 125.260 120.500 -0.107 0.000 2.338 79 R HA 0.689 5.029 4.340 -0.000 0.000 0.317 79 R C -0.710 175.579 176.300 -0.019 0.000 0.968 79 R CA -0.603 55.497 56.100 0.001 0.000 0.849 79 R CB 1.609 32.002 30.300 0.156 0.000 1.128 79 R HN 0.554 nan 8.270 nan 0.000 0.448 80 V N -0.338 119.534 119.914 -0.071 0.000 3.019 80 V HA 0.792 4.912 4.120 -0.000 0.000 0.317 80 V C -0.580 175.437 176.094 -0.129 0.000 1.094 80 V CA -0.762 61.440 62.300 -0.163 0.000 1.000 80 V CB 2.579 34.108 31.823 -0.490 0.000 1.060 80 V HN 0.353 nan 8.190 nan 0.000 0.443 81 V N 3.113 122.896 119.914 -0.218 0.000 2.567 81 V HA 0.494 4.614 4.120 -0.000 0.000 0.298 81 V C -0.063 175.775 176.094 -0.426 0.000 1.047 81 V CA -0.566 61.515 62.300 -0.364 0.000 0.880 81 V CB 1.485 32.984 31.823 -0.540 0.000 1.009 81 V HN 1.074 nan 8.190 nan 0.000 0.429 82 R N 3.511 123.814 120.500 -0.329 0.000 2.347 82 R HA 0.604 4.944 4.340 -0.000 0.000 0.304 82 R C 0.118 175.965 176.300 -0.755 0.000 1.072 82 R CA -0.045 55.857 56.100 -0.330 0.000 0.980 82 R CB 1.047 31.321 30.300 -0.044 0.000 0.986 82 R HN 0.842 nan 8.270 nan 0.000 0.448 83 A N 5.001 127.371 122.820 -0.750 0.000 2.302 83 A HA 0.363 4.683 4.320 -0.000 0.000 0.295 83 A C -0.502 176.773 177.584 -0.515 0.000 1.235 83 A CA -0.514 51.060 52.037 -0.771 0.000 0.876 83 A CB 0.994 19.664 19.000 -0.550 0.000 1.133 83 A HN 0.527 nan 8.150 nan 0.000 0.533 84 V N 2.389 122.038 119.914 -0.441 0.000 2.881 84 V HA 0.288 4.408 4.120 -0.000 0.000 0.316 84 V C -0.220 175.902 176.094 0.046 0.000 1.070 84 V CA -0.569 61.653 62.300 -0.129 0.000 0.976 84 V CB 2.181 33.975 31.823 -0.049 0.000 1.038 84 V HN 1.039 nan 8.190 nan 0.000 0.446 85 D N 1.695 122.110 120.400 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 -0.044 53.986 54.000 0.049 0.000 0.876 85 D CB 1.034 41.843 40.800 0.016 0.000 1.176 85 D HN 0.377 nan 8.370 nan 0.000 0.446 86 R N 1.962 122.506 120.500 0.073 0.000 2.200 86 R HA 0.019 4.359 4.340 -0.000 0.000 0.208 86 R C 0.648 176.947 176.300 -0.003 0.000 1.033 86 R CA 0.602 56.722 56.100 0.033 0.000 1.000 86 R CB 0.330 30.611 30.300 -0.030 0.000 0.906 86 R HN 0.560 nan 8.270 nan 0.000 0.462 87 D N -1.025 119.375 120.400 0.001 0.000 2.289 87 D HA -0.048 4.592 4.640 -0.000 0.000 0.207 87 D C 1.040 177.335 176.300 -0.008 0.000 0.966 87 D CA 1.369 55.364 54.000 -0.008 0.000 0.868 87 D CB 0.666 41.463 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 0.366 175.062 174.700 -0.006 0.000 0.939 88 T CA -0.504 61.592 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 1.808 124.624 122.820 -0.007 0.000 2.322 89 A HA 0.766 5.086 4.320 -0.000 0.000 0.269 89 A C -0.199 177.371 177.584 -0.024 0.000 1.094 89 A CA -0.433 51.596 52.037 -0.012 0.000 0.807 89 A CB 0.550 19.543 19.000 -0.012 0.000 1.047 89 A HN 0.251 nan 8.150 nan 0.000 0.487 90 K N 1.331 121.718 120.400 -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 -0.492 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 0.350 119.013 118.700 -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 0.946 116.674 115.700 0.048 0.000 2.554 92 S HA 0.201 4.671 4.470 -0.000 0.000 0.290 92 S C 0.371 174.996 174.600 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 0.963 116.692 115.700 0.047 0.000 2.656 93 S HA 0.621 5.091 4.470 -0.000 0.000 0.273 93 S C -3.013 171.610 174.600 0.039 0.000 1.168 93 S CA -1.356 56.881 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 1.072 178.342 177.300 -0.050 0.000 1.203 94 P CA 0.027 63.113 63.100 -0.024 0.000 0.792 94 P CB -0.125 31.522 31.700 -0.087 0.000 0.997 95 I N 0.375 120.923 120.570 -0.037 0.000 2.315 95 I HA -0.125 4.045 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 1.027 62.270 61.300 -0.095 0.000 1.404 95 I CB -0.732 37.258 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 1.837 179.388 177.584 -0.056 0.000 1.317 96 A CA 0.884 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 -1.126 107.620 108.800 -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 0.622 175.448 174.900 -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 0.210 118.766 118.700 -0.239 0.000 2.202 98 N HA 0.070 4.810 4.740 -0.000 0.000 0.228 98 N C -0.480 174.891 175.510 -0.230 0.000 1.340 98 N CA 0.399 53.242 53.050 -0.345 0.000 0.865 98 N CB 0.731 38.626 38.487 -0.988 0.000 1.062 98 N HN 0.266 nan 8.380 nan 0.000 0.452 99 I N -0.081 120.416 120.570 -0.121 0.000 2.512 99 I HA 0.117 4.286 4.170 -0.000 0.000 0.287 99 I C -0.393 175.842 176.117 0.196 0.000 1.069 99 I CA -0.663 60.640 61.300 0.006 0.000 1.056 99 I CB 1.170 39.177 38.000 0.012 0.000 1.229 99 I HN 0.286 nan 8.210 nan 0.000 0.429 100 E N 6.860 127.124 120.200 0.107 0.000 2.696 100 E HA -0.049 4.301 4.350 -0.000 0.000 0.270 100 E C -1.500 175.239 176.600 0.232 0.000 0.958 100 E CA 1.157 57.636 56.400 0.131 0.000 0.964 100 E CB 0.268 29.988 29.700 0.034 0.000 0.948 100 E HN 0.577 nan 8.360 nan 0.000 0.472 101 Y N -2.165 118.182 120.300 0.079 0.000 2.521 101 Y HA 0.387 4.937 4.550 -0.000 0.000 0.326 101 Y C -1.460 174.433 175.900 -0.010 0.000 1.176 101 Y CA -0.920 57.200 58.100 0.033 0.000 1.079 101 Y CB 1.015 39.502 38.460 0.046 0.000 1.341 101 Y HN 0.192 nan 8.280 nan 0.000 0.456 102 T N 4.774 119.398 114.554 0.116 0.000 2.949 102 T HA 0.419 4.769 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 -0.568 61.535 62.100 0.005 0.000 0.993 102 T CB 1.160 70.010 68.868 -0.029 0.000 0.984 102 T HN 0.731 nan 8.240 nan 0.000 0.442 103 I N 3.069 123.698 120.570 0.099 0.000 2.624 103 I HA -0.013 4.157 4.170 -0.000 0.000 0.307 103 I C 1.593 177.727 176.117 0.027 0.000 1.191 103 I CA 0.004 61.346 61.300 0.069 0.000 1.708 103 I CB -0.163 37.868 38.000 0.053 0.000 1.521 103 I HN 0.701 nan 8.210 nan 0.000 0.805 104 S N 2.756 118.474 115.700 0.030 0.000 2.387 104 S HA -0.118 4.352 4.470 -0.000 0.000 0.230 104 S C 0.885 175.495 174.600 0.017 0.000 1.035 104 S CA 1.387 59.600 58.200 0.021 0.000 1.014 104 S CB -0.028 63.188 63.200 0.026 0.000 0.836 104 S HN 0.675 nan 8.310 nan 0.000 0.466 105 T N 2.492 117.055 114.554 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 70.784 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 0.125 63.228 63.100 0.005 0.000 0.763 106 P CB 0.506 32.216 31.700 0.018 0.000 0.810 107 G N 2.279 111.121 108.800 0.071 0.000 2.468 107 G HA2 0.443 4.403 3.960 -0.000 0.000 0.264 107 G HA3 0.443 4.403 3.960 -0.000 0.000 0.264 107 G C -0.346 174.724 174.900 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 -2.587 113.290 115.700 0.295 0.000 2.618 108 S HA 0.417 4.887 4.470 -0.000 0.000 0.277 108 S C 0.083 174.712 174.600 0.047 0.000 1.138 108 S CA -0.236 58.052 58.200 0.146 0.000 0.844 108 S CB 1.813 65.050 63.200 0.063 0.000 1.127 108 S HN 0.700 nan 8.310 nan 0.000 0.474 109 N N -0.491 118.224 118.700 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 1.179 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 0.092 120.396 120.300 0.007 0.000 2.289 110 Y HA 0.552 5.102 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 0.381 58.485 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 -0.431 122.506 122.820 0.195 0.000 2.507 111 A HA 0.557 4.877 4.320 -0.000 0.000 0.284 111 A C 0.139 177.777 177.584 0.091 0.000 1.281 111 A CA -0.522 51.578 52.037 0.105 0.000 0.744 111 A CB 0.307 19.344 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 1.569 177.684 176.094 0.034 0.000 1.082 112 V CA 1.981 64.308 62.300 0.044 0.000 1.105 112 V CB 0.042 31.887 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 -0.538 174.379 174.900 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 1.591 122.017 120.400 0.045 0.000 2.351 114 D HA 0.204 4.844 4.640 -0.000 0.000 0.251 114 D C 0.451 176.773 176.300 0.037 0.000 1.137 114 D CA 0.389 54.425 54.000 0.060 0.000 0.879 114 D CB 1.489 42.362 40.800 0.123 0.000 1.181 114 D HN 0.143 nan 8.370 nan 0.000 0.448 115 K N 2.007 122.425 120.400 0.030 0.000 2.185 115 K HA 0.469 4.789 4.320 -0.000 0.000 0.271 115 K C 0.178 176.786 176.600 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 0.820 121.387 120.570 -0.005 0.000 2.603 116 I HA 0.262 4.432 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 40.306 38.000 -0.046 0.000 1.279 116 I HN 0.446 nan 8.210 nan 0.000 0.437 117 T N 4.078 118.642 114.554 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 4.589 124.551 119.914 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 -0.768 61.613 62.300 0.135 0.000 0.870 118 V CB 0.996 32.920 31.823 0.168 0.000 0.984 118 V HN 0.712 nan 8.190 nan 0.000 0.451 119 K N 3.542 124.029 120.400 0.144 0.000 2.156 119 K HA 0.519 4.839 4.320 -0.000 0.000 0.254 119 K C -1.324 175.318 176.600 0.070 0.000 0.950 119 K CA -0.883 55.461 56.287 0.095 0.000 0.849 119 K CB 2.043 34.569 32.500 0.043 0.000 1.100 119 K HN 0.579 nan 8.250 nan 0.000 0.434 120 Y N 2.570 122.727 120.300 -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 -0.086 37.891 38.460 -0.805 0.000 1.105 120 Y HN 0.398 nan 8.280 nan 0.000 0.503 121 V N 4.705 124.446 119.914 -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 1.187 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 -0.229 115.408 115.700 -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 0.869 121.226 120.400 -0.071 0.000 2.863 123 D HA 0.331 4.971 4.640 -0.000 0.000 0.245 123 D C -1.099 175.202 176.300 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 42.038 40.800 -0.094 0.000 1.483 123 D HN -0.044 nan 8.370 nan 0.000 0.533 124 D N 3.520 123.930 120.400 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 0.621 121.253 120.570 0.104 0.000 3.345 125 I HA 0.098 4.268 4.170 -0.000 0.000 0.258 125 I C 0.672 176.853 176.117 0.106 0.000 1.134 125 I CA 0.361 61.742 61.300 0.134 0.000 1.457 125 I CB -0.311 37.831 38.000 0.237 0.000 1.425 125 I HN 0.266 nan 8.210 nan 0.000 0.461 126 E N 1.439 121.702 120.200 0.105 0.000 2.222 126 E HA 0.375 4.724 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 31.167 29.700 0.067 0.000 1.169 126 E HN 0.221 nan 8.360 nan 0.000 0.413 127 T N 0.853 115.425 114.554 0.030 0.000 3.399 127 T HA 0.301 4.651 4.350 -0.000 0.000 0.305 127 T C -0.034 174.671 174.700 0.007 0.000 0.983 127 T CA -0.488 61.624 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 1.166 121.366 120.200 -0.000 0.000 2.583 128 E HA 0.334 4.684 4.350 -0.000 0.000 0.213 128 E C 1.181 177.767 176.600 -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 0.168 120.542 120.400 -0.043 0.000 2.584 130 K HA 0.244 4.564 4.320 -0.000 0.000 0.260 130 K C -0.788 175.787 176.600 -0.040 0.000 0.949 130 K CA -0.950 55.319 56.287 -0.030 0.000 0.888 130 K CB 0.883 33.375 32.500 -0.013 0.000 1.330 130 K HN 0.355 nan 8.250 nan 0.000 0.432 131 I N 2.572 123.116 120.570 -0.043 0.000 2.948 131 I HA -0.158 4.012 4.170 -0.000 0.000 0.303 131 I C 1.046 177.157 176.117 -0.010 0.000 1.224 131 I CA 1.002 62.274 61.300 -0.047 0.000 1.442 131 I CB 0.513 38.490 38.000 -0.039 0.000 1.328 131 I HN 1.023 nan 8.210 nan 0.000 0.578 132 T N 0.457 115.010 114.554 -0.002 0.000 3.041 132 T HA 0.228 4.578 4.350 -0.000 0.000 0.276 132 T C 0.112 174.831 174.700 0.031 0.000 0.948 132 T CA -0.401 61.714 62.100 0.025 0.000 0.885 132 T CB 0.302 69.198 68.868 0.046 0.000 1.175 132 T HN 0.678 nan 8.240 nan 0.000 0.529 133 E N 1.373 121.586 120.200 0.021 0.000 2.313 133 E HA 0.494 4.844 4.350 -0.000 0.000 0.280 133 E C -1.187 175.426 176.600 0.021 0.000 0.898 133 E CA -0.724 55.691 56.400 0.026 0.000 0.803 133 E CB 2.404 32.120 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 0.027 176.142 176.094 0.036 0.000 1.114 134 V CA -0.679 61.644 62.300 0.038 0.000 1.020 134 V CB 1.645 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 1.309 121.732 120.400 0.038 0.000 2.481 135 D HA 0.524 5.164 4.640 -0.000 0.000 0.283 135 D C 1.171 177.492 176.300 0.034 0.000 1.192 135 D CA 0.138 54.157 54.000 0.032 0.000 1.100 135 D CB 0.547 41.364 40.800 0.027 0.000 1.166 135 D HN 0.752 nan 8.370 nan 0.000 0.584 136 A N -0.919 121.918 122.820 0.029 0.000 2.067 136 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 136 A C 1.103 178.704 177.584 0.028 0.000 1.156 136 A CA 1.149 53.201 52.037 0.026 0.000 0.683 136 A CB -0.420 18.592 19.000 0.020 0.000 0.808 136 A HN 0.437 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 0.289 41.110 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 0.217 175.213 174.900 0.160 0.000 0.979 138 G CA -0.259 44.909 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 1.049 177.677 176.600 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 33.079 32.500 0.053 0.000 0.918 139 K HN 0.380 nan 8.250 nan 0.000 0.476 140 I N 4.698 125.266 120.570 -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 0.150 61.411 61.300 -0.066 0.000 1.387 140 I CB 0.392 38.267 38.000 -0.208 0.000 1.404 140 I HN 0.527 nan 8.210 nan 0.000 0.528 141 K N 5.148 125.544 120.400 -0.008 0.000 2.313 141 K HA 0.218 4.537 4.320 -0.000 0.000 0.197 141 K C 0.424 177.034 176.600 0.016 0.000 1.061 141 K CA 0.571 56.860 56.287 0.004 0.000 0.980 141 K CB 0.551 33.055 32.500 0.007 0.000 0.888 141 K HN 0.515 nan 8.250 nan 0.000 0.502 142 K N 0.975 121.384 120.400 0.016 0.000 2.542 142 K HA 0.327 4.647 4.320 -0.000 0.000 0.259 142 K C -1.283 175.316 176.600 -0.002 0.000 0.932 142 K CA -0.516 55.796 56.287 0.042 0.000 0.820 142 K CB 1.635 34.156 32.500 0.034 0.000 1.345 142 K HN 0.035 nan 8.250 nan 0.000 0.432 143 I N -0.369 120.174 120.570 -0.045 0.000 3.206 143 I HA 0.618 4.788 4.170 -0.000 0.000 0.313 143 I C -1.470 174.573 176.117 -0.124 0.000 1.103 143 I CA -0.889 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 2.931 121.577 118.700 -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 1.910 40.471 38.487 0.123 0.000 1.414 144 N HN 0.648 nan 8.380 nan 0.000 0.529 145 I N 3.934 124.489 120.570 -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 -2.007 59.277 61.300 -0.027 0.000 1.226 145 I CB 1.580 39.553 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 0.571 177.861 177.300 -0.017 0.000 1.216 146 P CA -0.177 62.907 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 -1.630 112.912 114.554 -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 3.192 126.004 122.820 -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 1.860 53.891 52.037 -0.009 0.000 0.629 148 A CB -0.619 18.374 19.000 -0.012 0.000 0.830 148 A HN 0.559 nan 8.150 nan 0.000 0.446 149 K N -0.295 120.111 120.400 0.011 0.000 2.057 149 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 149 K C 1.916 178.547 176.600 0.052 0.000 1.050 149 K CA 1.592 57.900 56.287 0.034 0.000 0.935 149 K CB -0.438 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 0.491 121.082 120.570 0.035 0.000 2.233 150 I HA -0.165 4.005 4.170 -0.000 0.000 0.243 150 I C 2.561 178.633 176.117 -0.075 0.000 1.093 150 I CA 1.094 62.400 61.300 0.011 0.000 1.380 150 I CB -0.931 37.029 38.000 -0.068 0.000 1.067 150 I HN 0.078 nan 8.210 nan 0.000 0.413 151 I N 1.182 121.719 120.570 -0.054 0.000 2.454 151 I HA -0.137 4.033 4.170 -0.000 0.000 0.254 151 I C 2.679 178.773 176.117 -0.038 0.000 1.156 151 I CA 1.486 62.790 61.300 0.006 0.000 1.433 151 I CB -0.466 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 2.010 124.815 122.820 -0.024 0.000 1.828 152 A HA -0.251 4.069 4.320 -0.000 0.000 0.215 152 A C 2.362 179.961 177.584 0.026 0.000 1.203 152 A CA 2.324 54.349 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 0.064 120.520 120.400 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 2.020 58.412 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 0.143 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 1.788 53.895 52.037 0.116 0.000 0.616 154 A CB -0.469 18.447 19.000 -0.140 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 0.013 0.000 2.063 155 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 155 K C 2.057 178.658 176.600 0.002 0.000 1.048 155 K CA 1.600 57.838 56.287 -0.082 0.000 0.928 155 K CB -0.139 32.196 32.500 -0.276 0.000 0.713 155 K HN 0.735 nan 8.250 nan 0.000 0.442 156 E N 1.053 121.271 120.200 0.031 0.000 2.333 156 E HA -0.128 4.222 4.350 -0.000 0.000 0.198 156 E C 0.661 177.315 176.600 0.090 0.000 1.007 156 E CA 1.116 57.548 56.400 0.054 0.000 0.845 156 E CB 0.328 30.068 29.700 0.067 0.000 0.766 156 E HN 0.191 nan 8.360 nan 0.000 0.507 157 V N -3.622 116.366 119.914 0.124 0.000 2.925 157 V HA 0.524 4.644 4.120 -0.000 0.000 0.361 157 V C 0.842 177.027 176.094 0.152 0.000 1.361 157 V CA 0.015 62.408 62.300 0.156 0.000 1.184 157 V CB 0.048 32.015 31.823 0.239 0.000 1.245 157 V HN 0.197 nan 8.190 nan 0.000 0.575 158 G N 1.134 110.007 108.800 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 2.368 159 E HA 0.395 4.745 4.350 -0.000 0.000 0.283 159 E C -0.598 176.059 176.600 0.095 0.000 1.476 159 E CA -0.377 56.122 56.400 0.165 0.000 1.786 159 E CB 0.084 29.971 29.700 0.312 0.000 1.518 159 E HN 0.567 nan 8.360 nan 0.000 0.456 160 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 -2.265 173.600 175.900 -0.059 0.000 0.979 160 Y CA -2.223 55.825 58.100 -0.087 0.000 1.080 160 Y CB 1.809 40.222 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 1.029 178.112 177.300 -0.362 0.000 1.381 161 P CA 0.445 63.084 63.100 -0.767 0.000 0.940 161 P CB 0.341 31.510 31.700 -0.885 0.000 1.435 162 T N -0.353 114.080 114.554 -0.201 0.000 2.493 162 T HA -0.262 4.088 4.350 -0.000 0.000 0.256 162 T C 1.259 175.888 174.700 -0.118 0.000 1.195 162 T CA 1.051 63.087 62.100 -0.106 0.000 1.183 162 T CB -1.131 67.725 68.868 -0.021 0.000 0.863 162 T HN 0.046 nan 8.240 nan 0.000 0.418 163 L N -0.273 120.880 121.223 -0.116 0.000 7.692 163 L HA -0.195 4.145 4.340 -0.000 0.000 0.063 163 L C 1.877 178.819 176.870 0.120 0.000 1.303 163 L CA 1.097 55.825 54.840 -0.186 0.000 1.475 163 L CB -1.740 40.029 42.059 -0.482 0.000 2.877 163 L HN 0.906 nan 8.230 nan 0.000 1.176 164 G N -1.548 107.353 108.800 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 1.818 60.125 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 -0.495 118.305 118.700 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 0.039 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 2.204 123.591 121.300 0.145 0.000 2.338 167 W HA 0.368 5.028 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 -0.364 57.043 57.345 0.103 0.000 1.208 167 W CB 0.972 30.447 29.460 0.025 0.000 1.228 167 W HN -0.165 nan 8.180 nan 0.000 0.499 168 T N 0.006 114.716 114.554 0.260 0.000 2.896 168 T HA 0.888 5.238 4.350 -0.000 0.000 0.297 168 T C -0.939 173.846 174.700 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 1.761 124.640 122.820 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 3.070 123.294 120.200 0.039 0.000 2.339 170 E HA 0.747 5.097 4.350 -0.000 0.000 0.262 170 E C -0.786 175.832 176.600 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 0.582 121.182 120.570 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 39.281 38.000 0.150 0.000 1.406 171 I HN 0.602 nan 8.210 nan 0.000 0.596 172 S N 1.120 116.865 115.700 0.076 0.000 2.569 172 S HA 0.028 4.498 4.470 -0.000 0.000 0.274 172 S C 0.337 174.969 174.600 0.053 0.000 1.353 172 S CA -0.287 57.947 58.200 0.056 0.000 1.023 172 S CB 0.194 63.427 63.200 0.056 0.000 0.876 172 S HN 0.677 nan 8.310 nan 0.000 0.540 173 S N 2.195 117.915 115.700 0.034 0.000 2.217 173 S HA 0.590 5.060 4.470 -0.000 0.000 0.168 173 S C -0.463 174.146 174.600 0.014 0.000 1.526 173 S CA -0.544 57.671 58.200 0.025 0.000 1.150 173 S CB -0.183 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 0.806 116.512 115.700 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 57.624 58.200 0.018 0.000 0.826 174 S CB 0.845 64.048 63.200 0.006 0.000 1.139 174 S HN 0.991 nan 8.310 nan 0.000 0.474 175 S N 0.897 116.615 115.700 0.029 0.000 2.606 175 S HA 0.278 4.748 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 0.012 63.273 63.200 0.103 0.000 0.941 175 S HN 0.790 nan 8.310 nan 0.000 0.576 176 S N 1.020 116.678 115.700 -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 -1.004 62.156 63.200 -0.067 0.000 0.887 176 S HN 1.074 nan 8.310 nan 0.000 0.447 177 G N 0.357 108.938 108.800 -0.365 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 -0.387 173.908 174.900 -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 -2.151 118.678 121.223 -0.656 0.000 2.422 178 L HA 0.783 5.123 4.340 -0.000 0.000 0.263 178 L C 1.333 178.248 176.870 0.076 0.000 1.110 178 L CA -0.312 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 -1.128 121.780 122.820 0.146 0.000 3.661 179 A HA -0.141 4.179 4.320 -0.000 0.000 0.269 179 A C 0.739 178.433 177.584 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 -0.875 122.100 122.820 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 0.965 19.824 19.000 -0.235 0.000 1.069 180 A HN 1.444 nan 8.150 nan 0.000 0.492 181 V N 2.401 122.313 119.914 -0.004 0.000 2.568 181 V HA 0.242 4.362 4.120 -0.000 0.000 0.276 181 V C -0.754 175.346 176.094 0.010 0.000 1.002 181 V CA 0.055 62.363 62.300 0.013 0.000 0.879 181 V CB 0.751 32.591 31.823 0.028 0.000 1.040 181 V HN 0.699 nan 8.190 nan 0.000 0.457 182 I N 3.077 123.652 120.570 0.008 0.000 2.385 182 I HA 0.532 4.702 4.170 -0.000 0.000 0.294 182 I C 0.311 176.466 176.117 0.064 0.000 0.988 182 I CA -0.028 61.292 61.300 0.034 0.000 1.265 182 I CB 1.856 39.850 38.000 -0.009 0.000 1.388 182 I HN 0.415 nan 8.210 nan 0.000 0.480 183 T N 7.043 121.655 114.554 0.097 0.000 2.809 183 T HA 0.506 4.856 4.350 -0.000 0.000 0.284 183 T C -0.235 174.537 174.700 0.120 0.000 0.992 183 T CA -0.500 61.656 62.100 0.093 0.000 0.957 183 T CB 0.929 69.838 68.868 0.069 0.000 0.942 183 T HN 0.278 nan 8.240 nan 0.000 0.439 184 L N 3.122 124.415 121.223 0.117 0.000 2.276 184 L HA 0.606 4.946 4.340 -0.000 0.000 0.286 184 L C 1.163 178.083 176.870 0.083 0.000 1.061 184 L CA -0.412 54.500 54.840 0.120 0.000 0.807 184 L CB 1.019 43.155 42.059 0.129 0.000 1.177 184 L HN 0.777 nan 8.230 nan 0.000 0.429 185 G N 3.277 112.112 108.800 0.059 0.000 3.075 185 G HA2 0.398 4.357 3.960 -0.000 0.000 0.156 185 G HA3 0.398 4.357 3.960 -0.000 0.000 0.156 185 G C -0.440 174.431 174.900 -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 -0.489 119.865 120.400 -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 -0.842 55.351 56.287 -0.155 0.000 0.922 186 K CB 1.472 33.881 32.500 -0.152 0.000 1.127 186 K HN 0.063 nan 8.250 nan 0.000 0.469 187 I N 2.881 123.291 120.570 -0.267 0.000 2.436 187 I HA 0.062 4.232 4.170 -0.000 0.000 0.289 187 I C 0.501 176.489 176.117 -0.215 0.000 1.083 187 I CA -0.237 60.912 61.300 -0.251 0.000 1.372 187 I CB -0.420 37.378 38.000 -0.338 0.000 1.408 187 I HN 0.478 nan 8.210 nan 0.000 0.516 188 I N 6.210 126.687 120.570 -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 -0.010 37.920 38.000 -0.116 0.000 1.392 188 I HN 0.607 nan 8.210 nan 0.000 0.545 189 T N -0.486 114.011 114.554 -0.095 0.000 3.023 189 T HA 0.052 4.402 4.350 -0.000 0.000 0.253 189 T C 0.419 175.101 174.700 -0.030 0.000 1.038 189 T CA -0.299 61.764 62.100 -0.061 0.000 0.962 189 T CB -0.056 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 2.727 123.110 120.400 -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 -0.029 53.965 54.000 -0.009 0.000 0.867 190 D CB 1.432 42.228 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 4.364 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 1.023 59.248 58.200 0.041 0.000 0.991 191 S CB -0.556 62.658 63.200 0.023 0.000 0.792 191 S HN 0.931 nan 8.310 nan 0.000 0.488 192 G N 0.332 109.165 108.800 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 -0.035 0.000 1.022 192 G CA 0.239 45.393 45.100 0.089 0.000 0.741 192 G HN 1.091 nan 8.290 nan 0.000 0.508 193 I N -0.771 119.700 120.570 -0.164 0.000 2.753 193 I HA 0.688 4.858 4.170 -0.000 0.000 0.291 193 I C -1.381 174.590 176.117 -0.243 0.000 1.425 193 I CA -1.158 59.921 61.300 -0.368 0.000 1.039 193 I CB 1.779 39.330 38.000 -0.749 0.000 1.349 193 I HN 0.255 nan 8.210 nan 0.000 0.430 194 L N 7.777 128.860 121.223 -0.234 0.000 2.439 194 L HA 0.621 4.961 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 1.465 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 0.372 177.139 176.870 -0.170 0.000 1.032 195 L CA -0.109 54.572 54.840 -0.266 0.000 0.810 195 L CB 1.384 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 3.225 125.972 122.820 -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 -0.070 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 -0.198 120.008 120.200 0.009 0.000 2.421 197 E HA 0.278 4.628 4.350 -0.000 0.000 0.253 197 E C 0.667 177.243 176.600 -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 30.120 29.700 0.063 0.000 1.040 197 E HN 0.328 nan 8.360 nan 0.000 0.512 198 I N 1.059 121.621 120.570 -0.012 0.000 3.854 198 I HA -0.081 4.089 4.170 -0.000 0.000 0.312 198 I C 1.759 177.874 176.117 -0.003 0.000 1.273 198 I CA 0.541 61.827 61.300 -0.023 0.000 1.298 198 I CB -0.986 37.025 38.000 0.017 0.000 1.071 198 I HN 0.593 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 0.767 177.360 176.600 -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 0.979 119.658 118.700 -0.034 0.000 2.254 200 N HA 0.189 4.929 4.740 -0.000 0.000 0.190 200 N C 1.323 176.789 175.510 -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 2.440 125.207 122.820 -0.088 0.000 2.714 201 A HA -0.326 3.994 4.320 -0.000 0.000 0.243 201 A C 1.769 179.288 177.584 -0.107 0.000 1.409 201 A CA 2.684 54.625 52.037 -0.160 0.000 1.062 201 A CB -1.102 17.905 19.000 0.012 0.000 0.547 201 A HN 0.480 nan 8.150 nan 0.000 0.459 202 E N 0.448 120.717 120.200 0.115 0.000 2.516 202 E HA 0.376 4.726 4.350 -0.000 0.000 0.199 202 E C 1.339 177.990 176.600 0.086 0.000 1.069 202 E CA 1.184 57.698 56.400 0.190 0.000 0.876 202 E CB -0.814 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 0.909 123.748 122.820 0.031 0.000 2.066 203 A HA 0.276 4.596 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 1.173 53.220 52.037 0.017 0.000 0.670 203 A CB -0.384 18.617 19.000 0.002 0.000 0.804 203 A HN 0.394 nan 8.150 nan 0.000 0.453 204 A N -1.191 121.591 122.820 -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 0.934 52.900 52.037 -0.119 0.000 0.697 204 A CB -0.282 18.601 19.000 -0.195 0.000 0.827 204 A HN 0.361 nan 8.150 nan 0.000 0.457 205 M N 0.229 119.788 119.600 -0.068 0.000 2.630 205 M HA 0.012 4.492 4.480 -0.000 0.000 0.254 205 M C 0.101 176.544 176.300 0.238 0.000 1.092 205 M CA 1.044 56.379 55.300 0.058 0.000 1.087 205 M CB -0.871 31.828 32.600 0.165 0.000 1.453 205 M HN 0.225 nan 8.290 nan 0.000 0.509 206 T N 0.286 114.929 114.554 0.149 0.000 3.624 206 T HA 0.498 4.848 4.350 -0.000 0.000 0.244 206 T C -0.103 174.664 174.700 0.111 0.000 1.063 206 T CA -0.276 61.911 62.100 0.145 0.000 1.252 206 T CB 0.309 69.242 68.868 0.108 0.000 1.021 206 T HN 0.207 nan 8.240 nan 0.000 0.590 207 A N 1.321 124.227 122.820 0.143 0.000 2.292 207 A HA 0.667 4.987 4.320 -0.000 0.000 0.319 207 A C 1.737 179.386 177.584 0.109 0.000 1.206 207 A CA -0.703 51.394 52.037 0.099 0.000 0.835 207 A CB 0.503 19.549 19.000 0.077 0.000 1.164 207 A HN 0.487 nan 8.150 nan 0.000 0.505 208 V N 0.617 120.568 119.914 0.061 0.000 2.277 208 V HA -0.316 3.804 4.120 -0.000 0.000 0.253 208 V C 1.539 177.657 176.094 0.041 0.000 1.067 208 V CA 2.585 64.908 62.300 0.039 0.000 1.047 208 V CB -1.073 30.762 31.823 0.020 0.000 0.649 208 V HN 0.821 nan 8.190 nan 0.000 0.447 209 D N -0.499 119.935 120.400 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 2.032 56.067 54.000 0.059 0.000 0.830 209 D CB -0.227 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 2.182 122.122 119.950 -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 1.338 59.328 58.000 -0.016 0.000 1.188 210 F CB -0.501 38.486 39.000 -0.021 0.000 0.974 210 F HN -0.199 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 -0.164 0.000 0.985 211 Q CA 1.300 57.008 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 1.593 124.348 122.820 -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 0.928 53.935 53.050 -0.071 0.000 0.876 213 N CB -0.235 38.294 38.487 0.070 0.000 0.972 213 N HN 0.431 nan 8.380 nan 0.000 0.434 214 L N 1.133 122.191 121.223 -0.276 0.000 2.191 214 L HA -0.155 4.184 4.340 -0.000 0.000 0.212 214 L C 2.137 178.892 176.870 -0.192 0.000 1.103 214 L CA 1.212 55.873 54.840 -0.298 0.000 0.769 214 L CB -0.176 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 -0.120 4.200 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 56.912 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 0.262 120.529 120.400 -0.222 0.000 2.074 216 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 216 K C 0.707 177.056 176.600 -0.418 0.000 1.048 216 K CA 1.637 57.676 56.287 -0.413 0.000 0.926 216 K CB 0.021 32.088 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 0.006 0.000 2.658 217 Y HA 0.288 4.838 4.550 -0.000 0.000 0.276 217 Y C 0.675 176.580 175.900 0.008 0.000 1.167 217 Y CA -0.160 57.978 58.100 0.064 0.000 1.230 217 Y CB 0.698 39.188 38.460 0.050 0.000 1.144 217 Y HN 0.187 nan 8.280 nan 0.000 0.529 218 G N 2.298 111.125 108.800 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 0.040 174.863 174.900 -0.128 0.000 0.926 218 G CA 0.990 46.087 45.100 -0.005 0.000 1.211 218 G HN 0.592 nan 8.290 nan 0.000 0.496 219 I N -3.362 117.032 120.570 -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 0.744 31.261 31.700 -1.971 0.000 1.094 221 G N 0.224 108.816 108.800 -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 -0.681 174.198 174.900 -0.034 0.000 0.850 221 G CA -0.146 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 2.032 121.942 119.914 -0.007 0.000 3.001 223 V HA 1.015 5.135 4.120 -0.000 0.000 0.314 223 V C 0.311 176.400 176.094 -0.007 0.000 1.099 223 V CA -0.982 61.322 62.300 0.007 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 1.633 124.464 122.820 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 52.352 52.037 0.043 0.000 0.766 224 A CB 0.194 19.284 19.000 0.149 0.000 1.003 224 A HN 1.544 nan 8.150 nan 0.000 0.497 225 L N 1.570 122.670 121.223 -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 -0.502 0.000 0.783 225 L CB -0.327 41.313 42.059 -0.697 0.000 0.919 225 L HN 0.619 nan 8.230 nan 0.000 0.442 226 Y N -0.340 119.625 120.300 -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 -4.085 53.477 58.100 -0.896 0.000 1.064 226 Y CB 0.435 37.773 38.460 -1.871 0.000 1.207 226 Y HN -0.113 nan 8.280 nan 0.000 0.452 227 P HA 0.312 nan 4.420 nan 0.000 0.265 227 P C -0.124 177.164 177.300 -0.021 0.000 1.187 227 P CA 0.506 63.536 63.100 -0.116 0.000 0.766 227 P CB 0.591 32.234 31.700 -0.095 0.000 0.820 228 G N 2.080 110.952 108.800 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 0.094 175.159 174.900 0.276 0.000 1.630 228 G CA -0.660 44.600 45.100 0.267 0.000 0.937 228 G HN 0.304 nan 8.290 nan 0.000 0.693 229 E N 0.755 121.059 120.200 0.174 0.000 2.401 229 E HA 0.016 4.366 4.350 -0.000 0.000 0.199 229 E C 2.475 179.134 176.600 0.099 0.000 1.023 229 E CA 0.512 56.980 56.400 0.113 0.000 0.859 229 E CB 0.102 29.841 29.700 0.066 0.000 0.780 229 E HN 0.498 nan 8.360 nan 0.000 0.523 230 L N -0.031 121.262 121.223 0.117 0.000 2.362 230 L HA -0.045 4.295 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 0.867 55.647 54.840 -0.099 0.000 0.807 230 L CB -0.260 41.545 42.059 -0.423 0.000 0.927 230 L HN 0.299 nan 8.230 nan 0.000 0.447 231 G N -1.151 107.789 108.800 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 0.205 45.487 45.100 0.304 0.000 0.791 231 G HN 0.286 nan 8.290 nan 0.000 0.538 232 D N 0.669 121.128 120.400 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 0.702 54.740 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 0.315 nan 8.370 nan 0.000 0.503 233 K N -0.186 120.231 120.400 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 0.076 56.371 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 1.472 122.082 120.570 0.066 0.000 2.519 234 I HA 0.056 4.226 4.170 -0.000 0.000 0.287 234 I C 0.138 176.294 176.117 0.065 0.000 1.047 234 I CA -0.038 61.311 61.300 0.081 0.000 1.381 234 I CB 0.898 38.978 38.000 0.133 0.000 1.417 234 I HN 0.071 nan 8.210 nan 0.000 0.540 235 E N 6.617 126.851 120.200 0.058 0.000 2.409 235 E HA 0.313 4.663 4.350 -0.000 0.000 0.259 235 E C -1.406 175.236 176.600 0.070 0.000 0.932 235 E CA -0.750 55.687 56.400 0.060 0.000 0.809 235 E CB 1.297 31.028 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 0.130 4.300 4.170 -0.000 0.000 0.284 236 I C 0.536 176.729 176.117 0.126 0.000 1.082 236 I CA 0.224 61.584 61.300 0.099 0.000 1.406 236 I CB 0.930 38.979 38.000 0.082 0.000 1.405 236 I HN 0.435 nan 8.210 nan 0.000 0.548 237 E N 6.610 126.901 120.200 0.152 0.000 2.145 237 E HA 0.573 4.923 4.350 -0.000 0.000 0.270 237 E C -1.311 175.426 176.600 0.227 0.000 0.906 237 E CA -0.515 55.992 56.400 0.178 0.000 0.761 237 E CB 0.970 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 4.494 125.223 120.570 0.265 0.000 2.406 238 I HA 0.395 4.565 4.170 -0.000 0.000 0.290 238 I C -0.851 175.461 176.117 0.324 0.000 0.999 238 I CA -1.046 60.459 61.300 0.342 0.000 1.124 238 I CB 1.860 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 2.686 239 V HA 0.399 4.519 4.120 -0.000 0.000 0.306 239 V C 0.043 176.290 176.094 0.255 0.000 1.065 239 V CA -0.557 61.900 62.300 0.261 0.000 0.894 239 V CB 2.268 34.219 31.823 0.214 0.000 1.004 239 V HN 0.898 nan 8.190 nan 0.000 0.424 240 S N 3.255 119.080 115.700 0.208 0.000 2.693 240 S HA 0.387 4.857 4.470 -0.000 0.000 0.276 240 S C 0.980 175.497 174.600 -0.138 0.000 1.192 240 S CA -0.527 57.624 58.200 -0.082 0.000 0.994 240 S CB 1.300 64.476 63.200 -0.040 0.000 1.012 240 S HN 0.745 nan 8.310 nan 0.000 0.550 241 K N 0.072 120.290 120.400 -0.304 0.000 2.281 241 K HA -0.146 4.174 4.320 -0.000 0.000 0.203 241 K C 1.857 178.431 176.600 -0.042 0.000 1.046 241 K CA 1.182 57.353 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 1.663 124.458 122.820 -0.041 0.000 1.821 242 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 242 A C 1.262 178.870 177.584 0.040 0.000 1.214 242 A CA 1.832 53.872 52.037 0.005 0.000 0.608 242 A CB -0.632 18.375 19.000 0.013 0.000 0.862 242 A HN 0.379 nan 8.150 nan 0.000 0.448 243 D N -1.860 118.574 120.400 0.056 0.000 2.338 243 D HA 0.056 4.696 4.640 -0.000 0.000 0.239 243 D C 0.993 177.343 176.300 0.083 0.000 1.095 243 D CA 0.267 54.300 54.000 0.055 0.000 0.888 243 D CB -0.147 40.683 40.800 0.050 0.000 0.899 243 D HN 0.586 nan 8.370 nan 0.000 0.525 244 Y N 1.050 121.331 120.300 -0.032 0.000 2.314 244 Y HA 0.097 4.647 4.550 -0.000 0.000 0.294 244 Y C 2.182 178.068 175.900 -0.024 0.000 1.119 244 Y CA 0.936 59.014 58.100 -0.036 0.000 1.179 244 Y CB -0.119 38.291 38.460 -0.084 0.000 1.025 244 Y HN -0.000 nan 8.280 nan 0.000 0.541 245 A N 0.600 123.384 122.820 -0.060 0.000 1.873 245 A HA -0.150 4.170 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 1.612 53.572 52.037 -0.129 0.000 0.616 245 A CB -0.532 18.451 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 1.646 178.203 176.600 -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 32.073 32.500 -0.026 0.000 0.839 246 K HN 0.501 nan 8.250 nan 0.000 0.505 247 G N 1.543 110.262 108.800 -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 46.395 45.100 -0.129 0.000 0.738 247 G HN 0.422 nan 8.290 nan 0.000 0.600 248 A N 0.087 122.864 122.820 -0.072 0.000 1.878 248 A HA 0.249 4.569 4.320 -0.000 0.000 0.213 248 A C 2.689 180.258 177.584 -0.024 0.000 1.192 248 A CA 1.901 53.914 52.037 -0.040 0.000 0.619 248 A CB -0.250 18.724 19.000 -0.044 0.000 0.837 248 A HN 0.312 nan 8.150 nan 0.000 0.446 249 S N 0.454 116.138 115.700 -0.027 0.000 2.388 249 S HA 0.291 4.761 4.470 -0.000 0.000 0.223 249 S C 1.318 175.910 174.600 -0.012 0.000 1.034 249 S CA 0.280 58.469 58.200 -0.018 0.000 0.963 249 S CB -0.601 62.588 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 0.063 177.646 177.584 -0.001 0.000 1.022 250 A CA 0.501 52.536 52.037 -0.004 0.000 0.812 250 A CB -0.629 18.374 19.000 0.005 0.000 0.918 250 A HN 0.527 nan 8.150 nan 0.000 0.516 251 L N 4.831 126.050 121.223 -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 54.438 54.840 -0.010 0.000 1.045 251 L CB -0.184 41.865 42.059 -0.015 0.000 1.351 251 L HN 0.619 nan 8.230 nan 0.000 0.419 252 L N 4.110 125.332 121.223 -0.002 0.000 2.578 252 L HA 0.028 4.368 4.340 -0.000 0.000 0.279 252 L C -2.001 174.854 176.870 -0.025 0.000 1.227 252 L CA -1.277 53.561 54.840 -0.004 0.000 0.900 252 L CB -0.194 41.885 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 -0.723 176.492 177.300 -0.142 0.000 1.259 253 P CA -0.449 62.558 63.100 -0.154 0.000 0.826 253 P CB 1.075 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 -0.155 0.000 0.999 254 I CA -0.718 60.537 61.300 -0.075 0.000 1.163 254 I CB 0.588 38.573 38.000 -0.023 0.000 1.316 254 I HN 0.273 nan 8.210 nan 0.000 0.454 255 Y N 7.362 127.690 120.300 0.046 0.000 2.323 255 Y HA 0.338 4.888 4.550 -0.000 0.000 0.331 255 Y C -1.724 174.187 175.900 0.017 0.000 1.092 255 Y CA -1.916 56.209 58.100 0.043 0.000 1.150 255 Y CB 0.820 39.330 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 0.522 63.670 63.100 0.080 0.000 0.841 256 P CB 0.593 32.303 31.700 0.017 0.000 1.232 257 G N 0.657 109.458 108.800 0.002 0.000 2.672 257 G HA2 0.108 4.068 3.960 -0.000 0.000 0.218 257 G HA3 0.108 4.068 3.960 -0.000 0.000 0.218 257 G C 0.815 175.689 174.900 -0.042 0.000 1.238 257 G CA 1.152 46.242 45.100 -0.016 0.000 0.791 257 G HN 0.629 nan 8.290 nan 0.000 0.606 258 G N -3.263 105.492 108.800 -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 0.391 175.235 174.900 -0.093 0.000 1.303 258 G CA 0.359 45.397 45.100 -0.102 0.000 0.970 258 G HN 2.193 nan 8.290 nan 0.000 0.490 259 G N -1.982 106.767 108.800 -0.084 0.000 2.915 259 G HA2 0.451 4.411 3.960 -0.000 0.000 0.337 259 G HA3 0.451 4.411 3.960 -0.000 0.000 0.337 259 G C 0.422 175.276 174.900 -0.077 0.000 1.477 259 G CA 1.011 46.072 45.100 -0.065 0.000 0.916 259 G HN 2.804 nan 8.290 nan 0.000 0.550 260 T N -2.602 111.921 114.554 -0.053 0.000 2.773 260 T HA 0.854 5.204 4.350 -0.000 0.000 0.278 260 T C -0.202 174.484 174.700 -0.022 0.000 1.011 260 T CA -0.115 61.957 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 1.448 nan 8.240 nan 0.000 0.554 261 R N -0.205 120.289 120.500 -0.011 0.000 2.647 261 R HA 0.550 4.890 4.340 -0.000 0.000 0.260 261 R C -0.888 175.417 176.300 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 31.712 30.300 0.011 0.000 1.262 261 R HN 1.165 nan 8.270 nan 0.000 0.437 262 A N 2.930 125.754 122.820 0.008 0.000 2.584 262 A HA 0.093 4.413 4.320 -0.000 0.000 0.239 262 A C 0.600 178.198 177.584 0.024 0.000 1.043 262 A CA 0.881 52.924 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 0.669 116.386 115.700 0.028 0.000 2.598 263 S HA 0.303 4.773 4.470 -0.000 0.000 0.256 263 S C 1.340 175.972 174.600 0.054 0.000 1.350 263 S CA 0.719 58.950 58.200 0.051 0.000 0.984 263 S CB 0.357 63.589 63.200 0.053 0.000 0.930 263 S HN 1.727 nan 8.310 nan 0.000 0.577 264 T N -1.631 112.975 114.554 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 -0.664 68.252 68.868 0.080 0.000 1.208 264 T HN 0.749 nan 8.240 nan 0.000 0.561 265 A N 3.035 125.984 122.820 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 2.636 54.918 52.037 0.409 0.000 0.655 265 A CB -1.076 18.172 19.000 0.413 0.000 0.839 265 A HN 0.526 nan 8.150 nan 0.000 0.454 266 K N 0.160 120.605 120.400 0.074 0.000 2.360 266 K HA 0.073 4.393 4.320 -0.000 0.000 0.201 266 K C 1.192 177.823 176.600 0.051 0.000 1.046 266 K CA 1.349 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 -0.332 122.530 122.820 0.070 0.000 2.462 267 A HA 0.302 4.622 4.320 -0.000 0.000 0.261 267 A C 0.794 178.407 177.584 0.047 0.000 1.323 267 A CA -0.010 52.054 52.037 0.046 0.000 0.913 267 A CB 0.258 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 -2.282 117.679 119.914 0.079 0.000 3.157 268 V HA 0.256 4.376 4.120 -0.000 0.000 0.253 268 V C -0.393 175.592 176.094 -0.182 0.000 1.637 268 V CA 0.117 62.372 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 0.569 120.601 119.950 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 0.288 58.387 58.000 0.164 0.000 1.013 269 F CB 1.756 40.882 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 -0.265 174.832 174.900 0.328 0.000 1.243 270 G CA 0.112 45.376 45.100 0.273 0.000 0.847 270 G HN 0.507 nan 8.290 nan 0.000 0.560 271 Y N 3.461 123.872 120.300 0.185 0.000 2.783 271 Y HA 0.400 4.950 4.550 -0.000 0.000 0.359 271 Y C 1.059 176.980 175.900 0.035 0.000 1.220 271 Y CA -0.622 57.547 58.100 0.114 0.000 1.649 271 Y CB -0.315 38.208 38.460 0.105 0.000 1.273 271 Y HN 0.186 nan 8.280 nan 0.000 0.506 272 G N 6.453 115.101 108.800 -0.253 0.000 2.616 272 G HA2 0.338 4.298 3.960 -0.000 0.000 0.268 272 G HA3 0.338 4.298 3.960 -0.000 0.000 0.268 272 G C -2.790 171.587 174.900 -0.873 0.000 1.213 272 G CA -1.716 42.973 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 0.391 177.386 177.300 -0.508 0.000 1.215 273 P CA -0.018 62.670 63.100 -0.687 0.000 0.763 273 P CB 1.105 32.409 31.700 -0.660 0.000 0.806 274 Q N 1.504 121.051 119.800 -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 -1.181 27.406 28.738 -0.251 0.000 0.901 274 Q HN 0.549 nan 8.270 nan 0.000 0.446 275 T N -0.599 113.845 114.554 -0.183 0.000 2.766 275 T HA 0.058 4.408 4.350 -0.000 0.000 0.295 275 T C 0.291 174.875 174.700 -0.193 0.000 1.024 275 T CA -0.094 61.917 62.100 -0.149 0.000 1.018 275 T CB 0.447 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 0.217 120.524 120.400 -0.155 0.000 2.312 276 D HA 0.017 4.657 4.640 -0.000 0.000 0.211 276 D C 1.547 177.705 176.300 -0.238 0.000 0.964 276 D CA 0.985 54.878 54.000 -0.178 0.000 0.877 276 D CB -0.082 40.660 40.800 -0.098 0.000 0.924 276 D HN 0.640 nan 8.370 nan 0.000 0.515 277 S N -0.685 114.908 115.700 -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 -0.624 57.512 58.200 -0.107 0.000 1.001 277 S CB 0.085 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 0.542 120.133 119.800 -0.348 0.000 2.309 278 Q HA 0.585 4.925 4.340 -0.000 0.000 0.264 278 Q C -1.616 174.071 176.000 -0.522 0.000 1.008 278 Q CA -0.659 54.967 55.803 -0.296 0.000 0.853 278 Q CB 1.739 30.315 28.738 -0.271 0.000 1.314 278 Q HN 0.539 nan 8.270 nan 0.000 0.448 279 Y N -0.555 119.609 120.300 -0.228 0.000 2.512 279 Y HA 0.574 5.124 4.550 -0.000 0.000 0.348 279 Y C -0.359 175.419 175.900 -0.202 0.000 0.990 279 Y CA -1.195 56.823 58.100 -0.136 0.000 1.033 279 Y CB 1.919 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 3.095 125.871 122.820 -0.073 0.000 2.309 280 A HA 0.694 5.014 4.320 -0.000 0.000 0.290 280 A C -1.034 176.597 177.584 0.079 0.000 1.206 280 A CA -0.263 51.609 52.037 -0.274 0.000 0.850 280 A CB -0.335 18.377 19.000 -0.481 0.000 1.118 280 A HN 0.590 nan 8.150 nan 0.000 0.523 281 I N 2.874 123.536 120.570 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 0.335 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 6.799 127.537 120.570 0.279 0.000 2.448 282 I HA 0.331 4.501 4.170 -0.000 0.000 0.281 282 I C -0.778 175.417 176.117 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 7.104 127.067 119.914 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 61.982 62.300 0.031 0.000 0.938 283 V CB 1.445 33.274 31.823 0.010 0.000 0.986 283 V HN 0.646 nan 8.190 nan 0.000 0.467 284 R N 3.732 124.223 120.500 -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 55.246 56.100 -0.028 0.000 0.887 284 R CB 2.543 32.845 30.300 0.004 0.000 1.180 284 R HN 0.630 nan 8.270 nan 0.000 0.450 285 R N 2.588 123.070 120.500 -0.031 0.000 2.473 285 R HA 0.190 4.530 4.340 -0.000 0.000 0.303 285 R C -0.846 175.451 176.300 -0.005 0.000 1.002 285 R CA -0.371 55.729 56.100 -0.001 0.000 0.884 285 R CB 0.599 30.916 30.300 0.028 0.000 1.173 285 R HN 0.681 nan 8.270 nan 0.000 0.464 286 N N 3.852 122.550 118.700 -0.002 0.000 2.783 286 N HA -0.168 4.572 4.740 -0.000 0.000 0.247 286 N C -0.928 174.580 175.510 -0.004 0.000 1.089 286 N CA 1.568 54.615 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 -4.113 116.286 120.400 -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 55.725 54.000 -0.001 0.000 1.021 287 D CB -1.436 39.364 40.800 -0.000 0.000 1.101 287 D HN 0.753 nan 8.370 nan 0.000 0.431 288 A N 0.442 123.254 122.820 -0.014 0.000 2.366 288 A HA 0.525 4.845 4.320 -0.000 0.000 0.272 288 A C 0.545 178.103 177.584 -0.042 0.000 1.135 288 A CA -0.336 51.686 52.037 -0.023 0.000 0.804 288 A CB 0.215 19.203 19.000 -0.020 0.000 1.064 288 A HN 0.112 nan 8.150 nan 0.000 0.499 289 I N 3.965 124.509 120.570 -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 0.365 61.630 61.300 -0.058 0.000 1.548 289 I CB -0.021 37.949 38.000 -0.052 0.000 1.492 289 I HN 0.445 nan 8.210 nan 0.000 0.711 290 V N 3.222 123.039 119.914 -0.161 0.000 2.469 290 V HA -0.182 3.938 4.120 -0.000 0.000 0.251 290 V C 0.993 176.921 176.094 -0.277 0.000 1.064 290 V CA 1.656 63.779 62.300 -0.296 0.000 1.066 290 V CB -0.367 31.073 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 4.828 4.340 -0.000 0.000 0.282 291 Q C -1.308 174.697 176.000 0.009 0.000 1.020 291 Q CA -0.305 55.463 55.803 -0.059 0.000 0.820 291 Q CB 2.372 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 1.410 117.132 115.700 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 0.198 0.000 1.165 292 S CA -0.577 57.664 58.200 0.068 0.000 1.047 292 S CB 1.524 64.585 63.200 -0.231 0.000 1.056 292 S HN 0.574 nan 8.310 nan 0.000 0.481 293 V N 2.735 122.858 119.914 0.348 0.000 3.159 293 V HA 0.813 4.933 4.120 -0.000 0.000 0.308 293 V C -1.503 174.654 176.094 0.105 0.000 1.190 293 V CA -0.627 61.789 62.300 0.193 0.000 1.037 293 V CB 2.371 34.148 31.823 -0.076 0.000 1.060 293 V HN 0.894 nan 8.190 nan 0.000 0.437 294 V N 5.145 125.014 119.914 -0.075 0.000 2.444 294 V HA 0.595 4.715 4.120 -0.000 0.000 0.294 294 V C -0.438 175.506 176.094 -0.249 0.000 1.022 294 V CA -0.328 61.848 62.300 -0.207 0.000 0.850 294 V CB 1.454 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 2.951 124.031 121.223 -0.238 0.000 2.283 295 L HA 0.748 5.088 4.340 -0.000 0.000 0.259 295 L C -0.186 176.574 176.870 -0.184 0.000 1.027 295 L CA -0.568 54.105 54.840 -0.277 0.000 0.828 295 L CB 2.418 44.258 42.059 -0.366 0.000 1.380 295 L HN 0.620 nan 8.230 nan 0.000 0.425 296 S N -1.335 114.275 115.700 -0.150 0.000 2.536 296 S HA 0.383 4.853 4.470 -0.000 0.000 0.298 296 S C 0.419 174.998 174.600 -0.034 0.000 1.083 296 S CA -0.083 58.072 58.200 -0.075 0.000 0.995 296 S CB 1.683 64.864 63.200 -0.032 0.000 1.058 296 S HN 0.758 nan 8.310 nan 0.000 0.488 297 T N 0.455 114.982 114.554 -0.045 0.000 3.107 297 T HA 0.295 4.645 4.350 -0.000 0.000 0.249 297 T C 0.330 175.113 174.700 0.140 0.000 1.096 297 T CA 0.054 62.161 62.100 0.011 0.000 1.012 297 T CB -0.284 68.497 68.868 -0.145 0.000 0.977 297 T HN 0.469 nan 8.240 nan 0.000 0.527 298 K N 1.712 122.143 120.400 0.052 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 -0.248 0.000 0.986 298 K CA -0.854 55.374 56.287 -0.098 0.000 0.866 298 K CB 0.940 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 1.825 121.965 120.500 -0.599 0.000 2.758 299 R HA -0.017 4.323 4.340 -0.000 0.000 0.263 299 R C 1.017 177.166 176.300 -0.252 0.000 1.010 299 R CA 1.423 57.113 56.100 -0.682 0.000 1.114 299 R CB 0.172 30.087 30.300 -0.641 0.000 0.985 299 R HN 1.060 nan 8.270 nan 0.000 0.439 300 G N 1.060 109.778 108.800 -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 44.938 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 1.222 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 0.995 121.409 120.400 0.024 0.000 2.444 302 K HA 0.358 4.678 4.320 -0.000 0.000 0.252 302 K C -0.358 176.287 176.600 0.074 0.000 0.993 302 K CA -0.986 55.328 56.287 0.045 0.000 0.847 302 K CB 1.673 34.202 32.500 0.047 0.000 1.340 302 K HN 0.616 nan 8.250 nan 0.000 0.446 303 D N 0.460 120.920 120.400 0.101 0.000 2.376 303 D HA 0.019 4.659 4.640 -0.000 0.000 0.268 303 D C 1.045 177.437 176.300 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 41.010 40.800 0.131 0.000 1.109 303 D HN 0.566 nan 8.370 nan 0.000 0.552 304 I N -3.297 117.330 120.570 0.095 0.000 3.551 304 I HA 0.069 4.239 4.170 -0.000 0.000 0.307 304 I C -0.045 175.919 176.117 -0.255 0.000 1.215 304 I CA 0.112 61.361 61.300 -0.085 0.000 1.195 304 I CB -1.048 36.779 38.000 -0.287 0.000 0.998 304 I HN 0.189 nan 8.210 nan 0.000 0.510 305 Y N -0.047 120.207 120.300 -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 -0.766 57.303 58.100 -0.053 0.000 1.225 305 Y CB 0.344 38.767 38.460 -0.061 0.000 1.312 305 Y HN 0.181 nan 8.280 nan 0.000 0.560 306 D N 0.372 120.835 120.400 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 -1.130 39.695 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 -0.760 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 0.474 176.029 175.510 0.075 0.000 1.351 308 N CA 0.043 53.136 53.050 0.073 0.000 0.936 308 N CB -0.197 38.341 38.487 0.085 0.000 1.274 308 N HN 0.713 nan 8.380 nan 0.000 0.489 309 I N 0.592 121.183 120.570 0.035 0.000 3.874 309 I HA 0.236 4.406 4.170 -0.000 0.000 0.331 309 I C -0.245 175.853 176.117 -0.031 0.000 1.489 309 I CA -0.921 60.342 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 0.258 nan 8.210 nan 0.000 0.412 310 Y N 2.440 122.700 120.300 -0.066 0.000 2.496 310 Y HA 0.268 4.818 4.550 -0.000 0.000 0.334 310 Y C 1.174 177.048 175.900 -0.043 0.000 1.080 310 Y CA -0.804 57.257 58.100 -0.065 0.000 1.355 310 Y CB 0.525 38.966 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 2.109 311 I HA -0.506 3.664 4.170 -0.000 0.000 0.233 311 I C 2.051 177.952 176.117 -0.359 0.000 1.005 311 I CA 2.136 63.214 61.300 -0.370 0.000 1.294 311 I CB -0.269 37.556 38.000 -0.292 0.000 1.005 311 I HN 0.674 nan 8.210 nan 0.000 0.392 312 D N 0.505 120.462 120.400 -0.739 0.000 2.172 312 D HA -0.212 4.428 4.640 -0.000 0.000 0.196 312 D C 1.690 177.878 176.300 -0.188 0.000 0.999 312 D CA 1.778 55.547 54.000 -0.384 0.000 0.856 312 D CB -0.265 40.334 40.800 -0.334 0.000 0.934 312 D HN 0.454 nan 8.370 nan 0.000 0.453 313 D N -0.312 119.978 120.400 -0.183 0.000 2.144 313 D HA -0.086 4.554 4.640 -0.000 0.000 0.207 313 D C 1.818 178.092 176.300 -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 1.276 121.078 119.950 -0.247 0.000 2.063 314 F HA -0.319 4.208 4.527 -0.000 0.000 0.298 314 F C 1.941 177.501 175.800 -0.400 0.000 1.105 314 F CA 1.636 59.416 58.000 -0.365 0.000 1.215 314 F CB -0.553 38.103 39.000 -0.574 0.000 0.972 314 F HN -0.129 nan 8.300 nan 0.000 0.483 315 F N 0.262 120.011 119.950 -0.335 0.000 2.367 315 F HA 0.109 4.636 4.527 -0.000 0.000 0.298 315 F C 2.524 178.119 175.800 -0.341 0.000 1.094 315 F CA 0.830 58.504 58.000 -0.543 0.000 1.409 315 F CB -1.453 36.997 39.000 -0.917 0.000 1.064 315 F HN 0.072 nan 8.300 nan 0.000 0.528 316 A N -0.040 122.742 122.820 -0.062 0.000 2.131 316 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 316 A C 1.009 178.621 177.584 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 18.364 19.000 0.061 0.000 0.795 316 A HN 0.339 nan 8.150 nan 0.000 0.460 317 K N -0.821 119.544 120.400 -0.057 0.000 2.679 317 K HA 0.405 4.724 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 56.246 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 1.444 110.202 108.800 -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 -1.153 107.376 108.800 -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 0.729 175.273 174.900 -0.594 0.000 1.135 319 G CA 1.416 45.891 45.100 -1.042 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 0.287 174.984 174.600 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 0.439 0.000 1.071 320 S HN 0.247 nan 8.310 nan 0.000 0.479 321 E N 2.127 122.443 120.200 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 1.030 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 -0.379 119.976 120.300 0.091 0.000 2.506 322 Y HA 0.203 4.753 4.550 -0.000 0.000 0.287 322 Y C 1.428 177.352 175.900 0.040 0.000 1.147 322 Y CA -0.339 57.829 58.100 0.114 0.000 1.241 322 Y CB 0.541 39.089 38.460 0.147 0.000 1.279 322 Y HN -0.066 nan 8.280 nan 0.000 0.527 323 I N -3.661 117.048 120.570 0.232 0.000 3.264 323 I HA 0.649 4.819 4.170 -0.000 0.000 0.309 323 I C -1.634 174.447 176.117 -0.060 0.000 1.099 323 I CA -1.081 60.265 61.300 0.077 0.000 0.989 323 I CB 2.869 40.920 38.000 0.085 0.000 1.250 323 I HN -0.058 nan 8.210 nan 0.000 0.478 324 F N 1.119 120.778 119.950 -0.484 0.000 2.622 324 F HA 0.777 5.304 4.527 -0.000 0.000 0.318 324 F C -0.899 174.445 175.800 -0.761 0.000 1.135 324 F CA -0.153 57.383 58.000 -0.774 0.000 1.015 324 F CB 1.803 40.570 39.000 -0.388 0.000 1.275 324 F HN 0.918 nan 8.300 nan 0.000 0.457 325 A N 2.600 124.675 122.820 -1.241 0.000 2.524 325 A HA 0.888 5.208 4.320 -0.000 0.000 0.286 325 A C -1.229 176.255 177.584 -0.166 0.000 1.203 325 A CA -0.664 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 -1.103 113.493 114.554 0.071 0.000 3.032 326 T HA 0.517 4.867 4.350 -0.000 0.000 0.312 326 T C 0.658 175.463 174.700 0.175 0.000 1.078 326 T CA 0.424 62.579 62.100 0.091 0.000 1.028 326 T CB 1.280 70.229 68.868 0.134 0.000 1.091 326 T HN 1.725 nan 8.240 nan 0.000 0.457 327 A N 3.348 126.212 122.820 0.073 0.000 2.125 327 A HA 0.064 4.384 4.320 -0.000 0.000 0.219 327 A C 1.195 178.897 177.584 0.196 0.000 1.156 327 A CA 0.906 53.008 52.037 0.108 0.000 0.671 327 A CB -0.569 18.496 19.000 0.108 0.000 0.794 327 A HN 0.799 nan 8.150 nan 0.000 0.459 328 Q N 0.218 120.115 119.800 0.161 0.000 2.274 328 Q HA 0.077 4.417 4.340 -0.000 0.000 0.280 328 Q C 0.027 176.086 176.000 0.098 0.000 1.047 328 Q CA 0.461 56.340 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 0.473 nan 8.270 nan 0.000 0.381 329 N N 1.969 120.716 118.700 0.078 0.000 2.713 329 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 329 N C -1.385 174.134 175.510 0.015 0.000 1.117 329 N CA 0.850 53.915 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 2.880 124.105 121.300 -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 -1.155 56.068 57.345 -0.205 0.000 1.315 330 W CB -0.132 29.198 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 -0.453 177.041 177.300 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 1.885 122.255 120.200 0.284 0.000 2.414 332 E HA 0.180 4.530 4.350 -0.000 0.000 0.263 332 E C 1.271 178.095 176.600 0.372 0.000 1.000 332 E CA 0.600 57.200 56.400 0.333 0.000 0.914 332 E CB -0.059 29.766 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 0.439 0.000 1.002 333 G CA 0.367 45.711 45.100 0.406 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 0.459 176.408 175.800 0.249 0.000 1.103 334 F CA 0.780 58.885 58.000 0.175 0.000 1.286 334 F CB 0.751 39.703 39.000 -0.080 0.000 1.105 334 F HN 0.071 nan 8.300 nan 0.000 0.583 335 S N 3.285 118.679 115.700 -0.510 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 -0.262 0.000 0.931 335 S CB 1.550 64.743 63.200 -0.011 0.000 1.068 335 S HN 1.233 nan 8.310 nan 0.000 0.480 336 G N 1.453 110.138 108.800 -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 -2.348 172.688 174.900 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 1.335 122.067 120.570 0.271 0.000 2.355 337 I HA 0.429 4.599 4.170 -0.000 0.000 0.288 337 I C 0.109 176.391 176.117 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 43.244 42.059 0.020 0.000 1.175 338 L HN 0.521 nan 8.230 nan 0.000 0.431 339 T N 4.852 119.461 114.554 0.092 0.000 2.874 339 T HA 0.424 4.774 4.350 -0.000 0.000 0.321 339 T C 0.081 174.810 174.700 0.048 0.000 1.075 339 T CA -0.464 61.676 62.100 0.066 0.000 0.966 339 T CB 0.313 69.218 68.868 0.062 0.000 1.001 339 T HN 0.278 nan 8.240 nan 0.000 0.476 340 L N 3.815 125.067 121.223 0.048 0.000 2.416 340 L HA 0.558 4.898 4.340 -0.000 0.000 0.272 340 L C 0.776 177.673 176.870 0.046 0.000 1.161 340 L CA -0.144 54.724 54.840 0.048 0.000 0.845 340 L CB 0.458 42.555 42.059 0.063 0.000 1.119 340 L HN 0.738 nan 8.230 nan 0.000 0.464 341 S N -0.118 115.607 115.700 0.041 0.000 2.703 341 S HA 0.659 5.129 4.470 -0.000 0.000 0.273 341 S C 0.404 175.026 174.600 0.037 0.000 1.178 341 S CA -0.210 58.014 58.200 0.039 0.000 0.838 341 S CB 1.396 64.615 63.200 0.031 0.000 1.178 341 S HN 1.012 nan 8.310 nan 0.000 0.494 342 G N -0.042 108.780 108.800 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 1.783 nan 8.290 nan 0.000 0.538 343 G N -0.526 108.305 108.800 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 -0.131 174.808 174.900 0.065 0.000 1.284 343 G CA 0.437 45.577 45.100 0.068 0.000 0.873 343 G HN 1.092 nan 8.290 nan 0.000 0.549 344 L N 2.882 124.139 121.223 0.058 0.000 2.673 344 L HA 0.276 4.615 4.340 -0.000 0.000 0.255 344 L C 0.232 177.126 176.870 0.039 0.000 1.015 344 L CA -0.488 54.380 54.840 0.047 0.000 0.930 344 L CB 1.064 43.139 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 0.060 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 -0.146 58.077 58.200 0.038 0.000 1.050 345 S CB 0.977 64.220 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 0.495 175.081 174.600 -0.025 0.000 1.071 346 S CA -1.005 57.193 58.200 -0.004 0.000 1.113 346 S CB 0.659 63.859 63.200 -0.001 0.000 0.976 346 S HN 0.783 nan 8.310 nan 0.000 0.462 347 N N 3.129 121.811 118.700 -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 -0.668 37.776 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 0.648 178.230 177.584 -0.003 0.000 1.984 348 A CA 2.290 54.325 52.037 -0.003 0.000 0.785 348 A CB -0.748 18.254 19.000 0.002 0.000 0.849 348 A HN 0.576 nan 8.150 nan 0.000 0.501 349 E N -1.283 118.915 120.200 -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 0.056 nan 8.360 nan 0.000 0.409 350 V N 2.264 122.168 119.914 -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 4.775 119.344 114.554 0.025 0.000 2.903 351 T HA 0.273 4.623 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 4.276 127.139 122.820 0.073 0.000 1.884 352 A HA -0.054 4.265 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 17.384 19.000 0.108 0.000 0.827 352 A HN 1.106 nan 8.150 nan 0.000 0.450 353 G N -0.228 108.633 108.800 0.102 0.000 2.469 353 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.219 353 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.219 353 G C 0.993 175.978 174.900 0.141 0.000 1.150 353 G CA 1.396 46.561 45.100 0.107 0.000 0.763 353 G HN 0.567 nan 8.290 nan 0.000 0.561 354 D N 0.161 120.634 120.400 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 0.152 0.000 0.988 354 D CA 0.411 54.505 54.000 0.156 0.000 0.864 354 D CB -0.087 40.778 40.800 0.108 0.000 0.928 354 D HN 0.339 nan 8.370 nan 0.000 0.469 355 L N -0.534 120.762 121.223 0.121 0.000 2.095 355 L HA -0.028 4.312 4.340 -0.000 0.000 0.204 355 L C 2.225 179.269 176.870 0.290 0.000 1.080 355 L CA 0.723 55.628 54.840 0.108 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 -0.842 118.989 119.600 0.386 0.000 2.175 356 M HA -0.207 4.273 4.480 -0.000 0.000 0.264 356 M C 2.030 178.623 176.300 0.487 0.000 1.063 356 M CA 1.570 57.198 55.300 0.546 0.000 1.119 356 M CB -0.356 32.485 32.600 0.401 0.000 1.377 356 M HN 0.158 nan 8.290 nan 0.000 0.415 357 E N 0.448 120.860 120.200 0.354 0.000 2.118 357 E HA -0.215 4.135 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 1.387 58.005 56.400 0.364 0.000 0.804 357 E CB -0.100 29.766 29.700 0.276 0.000 0.741 357 E HN 0.543 nan 8.360 nan 0.000 0.458 358 A N 0.621 123.697 122.820 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 53.265 52.037 0.149 0.000 0.610 358 A CB -1.284 17.530 19.000 -0.310 0.000 0.842 358 A HN 0.396 nan 8.150 nan 0.000 0.444 359 W N 0.509 121.984 121.300 0.291 0.000 2.308 359 W HA -0.244 4.416 4.660 -0.000 0.000 0.301 359 W C 1.604 178.402 176.519 0.466 0.000 1.220 359 W CA 1.134 58.724 57.345 0.409 0.000 1.240 359 W CB -0.265 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 1.168 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 -0.960 118.998 119.950 0.014 0.000 2.583 361 F HA -0.097 4.430 4.527 -0.000 0.000 0.297 361 F C 1.174 176.772 175.800 -0.337 0.000 1.131 361 F CA 0.378 58.231 58.000 -0.244 0.000 1.467 361 F CB -0.080 38.645 39.000 -0.460 0.000 1.097 361 F HN -0.034 nan 8.300 nan 0.000 0.586 362 F N -1.417 118.736 119.950 0.339 0.000 2.682 362 F HA 0.318 4.845 4.527 -0.000 0.000 0.308 362 F C 1.651 177.609 175.800 0.263 0.000 1.093 362 F CA -0.121 58.053 58.000 0.290 0.000 1.244 362 F CB -0.396 38.812 39.000 0.347 0.000 1.052 362 F HN -0.191 nan 8.300 nan 0.000 0.573 363 A N 0.737 123.757 122.820 0.332 0.000 2.416 363 A HA 0.273 4.593 4.320 -0.000 0.000 0.252 363 A C -0.655 177.001 177.584 0.119 0.000 1.353 363 A CA 0.077 52.241 52.037 0.211 0.000 0.996 363 A CB -1.398 17.700 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 1.266 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 -0.039 120.187 120.200 0.044 0.000 2.085 366 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 366 E C 1.613 178.236 176.600 0.038 0.000 0.994 366 E CA 1.775 58.194 56.400 0.032 0.000 0.801 366 E CB 0.093 29.804 29.700 0.019 0.000 0.743 366 E HN 0.342 nan 8.360 nan 0.000 0.453 367 S N -0.114 115.613 115.700 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 0.455 63.672 63.200 0.027 0.000 0.850 367 S HN 0.123 nan 8.310 nan 0.000 0.527 368 V N 2.315 122.295 119.914 0.110 0.000 2.444 368 V HA 0.498 4.618 4.120 -0.000 0.000 0.294 368 V C -1.477 174.715 176.094 0.162 0.000 1.022 368 V CA -1.297 61.092 62.300 0.148 0.000 0.850 368 V CB 1.524 33.479 31.823 0.219 0.000 0.992 368 V HN 0.327 nan 8.190 nan 0.000 0.426 369 D N 4.769 125.246 120.400 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 -0.112 53.957 54.000 0.115 0.000 0.947 369 D CB 1.398 42.249 40.800 0.087 0.000 1.048 369 D HN 0.717 nan 8.370 nan 0.000 0.512 370 V N -0.373 119.624 119.914 0.137 0.000 2.444 370 V HA 0.278 4.398 4.120 -0.000 0.000 0.294 370 V C 0.552 176.717 176.094 0.118 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 -0.028 0.000 0.992 370 V HN 0.050 nan 8.190 nan 0.000 0.426 371 Q N 3.927 123.782 119.800 0.093 0.000 2.123 371 Q HA 0.395 4.735 4.340 -0.000 0.000 0.196 371 Q C 0.207 176.307 176.000 0.167 0.000 0.958 371 Q CA 1.434 57.313 55.803 0.127 0.000 0.841 371 Q CB 0.002 28.799 28.738 0.100 0.000 0.915 371 Q HN 0.849 nan 8.270 nan 0.000 0.455 372 L N -0.944 120.349 121.223 0.117 0.000 2.319 372 L HA 0.489 4.829 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 -0.044 nan 8.230 nan 0.000 0.432 373 F N 1.740 121.640 119.950 -0.083 0.000 2.610 373 F HA 0.446 4.973 4.527 -0.000 0.000 0.355 373 F C -0.065 175.660 175.800 -0.125 0.000 1.140 373 F CA -0.390 57.517 58.000 -0.155 0.000 1.037 373 F CB 1.284 40.154 39.000 -0.218 0.000 1.287 373 F HN 0.186 nan 8.300 nan 0.000 0.457 374 I N 3.947 124.507 120.570 -0.017 0.000 2.436 374 I HA 0.169 4.338 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 0.456 61.782 61.300 0.045 0.000 1.372 374 I CB 1.076 39.078 38.000 0.003 0.000 1.408 374 I HN 0.784 nan 8.210 nan 0.000 0.516 375 A N 4.879 127.724 122.820 0.042 0.000 2.009 375 A HA 0.241 4.561 4.320 -0.000 0.000 0.197 375 A C 2.072 179.690 177.584 0.057 0.000 1.471 375 A CA 0.559 52.590 52.037 -0.011 0.000 0.973 375 A CB -0.397 18.522 19.000 -0.134 0.000 1.020 375 A HN 0.711 nan 8.150 nan 0.000 0.476 376 G N 1.222 110.046 108.800 0.040 0.000 2.527 376 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.219 376 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.219 376 G C 1.550 176.499 174.900 0.083 0.000 1.117 376 G CA 1.596 46.731 45.100 0.059 0.000 0.759 376 G HN 0.889 nan 8.290 nan 0.000 0.556 377 S N -0.605 115.126 115.700 0.052 0.000 2.488 377 S HA -0.154 4.316 4.470 -0.000 0.000 0.246 377 S C 1.747 176.183 174.600 -0.273 0.000 0.992 377 S CA 1.118 59.250 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 1.323 120.607 119.300 -0.026 0.000 2.791 378 C HA 0.658 5.118 4.460 -0.000 0.000 0.270 378 C C 2.789 177.767 174.990 -0.020 0.000 1.257 378 C CA -0.628 58.400 59.018 0.018 0.000 1.699 378 C CB -1.654 26.185 27.740 0.165 0.000 1.904 378 C HN 0.719 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 -0.128 4.192 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 2.470 54.479 52.037 -0.047 0.000 0.647 379 A CB -1.145 17.817 19.000 -0.063 0.000 0.821 379 A HN 0.566 nan 8.150 nan 0.000 0.457 380 G N -1.052 107.616 108.800 -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 0.793 175.642 174.900 -0.083 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 0.905 121.087 120.200 -0.029 0.000 2.455 381 E HA 0.254 4.604 4.350 -0.000 0.000 0.259 381 E C 0.574 177.184 176.600 0.016 0.000 1.245 381 E CA -0.116 56.299 56.400 0.026 0.000 1.013 381 E CB 0.318 30.069 29.700 0.085 0.000 0.978 381 E HN 0.144 nan 8.360 nan 0.000 0.479 382 S N 2.490 118.211 115.700 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 0.020 63.247 63.200 0.046 0.000 0.787 382 S HN 0.557 nan 8.310 nan 0.000 0.506 383 L N 3.205 124.444 121.223 0.027 0.000 2.058 383 L HA -0.340 4.000 4.340 -0.000 0.000 0.226 383 L C 2.336 179.260 176.870 0.091 0.000 1.089 383 L CA 2.177 57.038 54.840 0.034 0.000 0.799 383 L CB -0.650 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 -0.964 119.297 120.200 0.103 0.000 2.037 384 E HA -0.342 4.008 4.350 -0.000 0.000 0.214 384 E C 1.906 178.589 176.600 0.139 0.000 1.041 384 E CA 2.327 58.803 56.400 0.127 0.000 0.872 384 E CB -0.559 29.200 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 1.585 63.762 62.100 0.129 0.000 1.137 385 T CB -0.296 68.640 68.868 0.115 0.000 0.860 385 T HN 0.312 nan 8.240 nan 0.000 0.468 386 A N 0.556 123.445 122.820 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 2.649 54.742 52.037 0.094 0.000 0.639 386 A CB -0.977 18.030 19.000 0.010 0.000 0.820 386 A HN 0.629 nan 8.150 nan 0.000 0.451 387 S N -1.343 114.506 115.700 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 1.520 59.953 58.200 0.388 0.000 0.964 387 S CB -0.776 62.737 63.200 0.521 0.000 0.882 387 S HN 0.823 nan 8.310 nan 0.000 0.469 388 T N 2.012 116.701 114.554 0.224 0.000 2.881 388 T HA -0.044 4.306 4.350 -0.000 0.000 0.270 388 T C 1.688 176.511 174.700 0.204 0.000 1.068 388 T CA 1.178 63.391 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 0.103 nan 8.240 nan 0.000 0.479 389 V N 1.407 121.448 119.914 0.212 0.000 2.221 389 V HA -0.154 3.966 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 2.094 64.541 62.300 0.245 0.000 0.995 389 V CB -0.949 31.037 31.823 0.273 0.000 0.635 389 V HN 0.510 nan 8.190 nan 0.000 0.448 390 Q N -0.055 119.818 119.800 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 2.324 58.154 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 1.931 58.365 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 -0.205 118.893 119.070 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 1.304 57.361 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 1.002 120.722 119.914 -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 1.369 63.358 62.300 -0.519 0.000 1.051 393 V CB -0.545 30.884 31.823 -0.656 0.000 0.658 393 V HN 0.287 nan 8.190 nan 0.000 0.455 394 V N -0.674 119.102 119.914 -0.230 0.000 2.392 394 V HA -0.218 3.902 4.120 -0.000 0.000 0.249 394 V C 2.238 178.205 176.094 -0.211 0.000 1.059 394 V CA 2.241 64.428 62.300 -0.188 0.000 1.051 394 V CB -0.497 31.286 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 1.262 175.778 174.600 -0.140 0.000 0.953 395 S CA 0.223 58.360 58.200 -0.105 0.000 0.983 395 S CB -0.305 62.906 63.200 0.019 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 2.404 178.320 176.117 -0.334 0.000 1.206 396 I CA 0.417 61.573 61.300 -0.240 0.000 1.370 396 I CB -0.330 37.532 38.000 -0.229 0.000 1.328 396 I HN 0.353 nan 8.210 nan 0.000 0.453 397 G N 0.480 108.965 108.800 -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 45.526 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 2.693 178.795 176.300 -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 2.168 178.171 176.094 -0.152 0.000 1.122 399 V CA 1.555 63.766 62.300 -0.149 0.000 1.141 399 V CB -0.556 31.215 31.823 -0.085 0.000 0.735 399 V HN 0.289 nan 8.190 nan 0.000 0.498 400 R N -0.147 120.228 120.500 -0.208 0.000 2.257 400 R HA 0.131 4.471 4.340 -0.000 0.000 0.195 400 R C 0.929 177.108 176.300 -0.201 0.000 0.921 400 R CA 0.099 56.108 56.100 -0.151 0.000 1.069 400 R CB -0.095 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 1.360 120.908 119.800 -0.420 0.000 2.457 401 Q HA -0.197 4.143 4.340 -0.000 0.000 0.283 401 Q C -1.124 174.816 176.000 -0.099 0.000 1.234 401 Q CA 1.223 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 -0.171 120.202 120.400 -0.044 0.000 2.513 402 D HA 0.446 5.086 4.640 -0.000 0.000 0.295 402 D C -0.354 176.018 176.300 0.120 0.000 1.202 402 D CA 0.218 54.267 54.000 0.082 0.000 0.849 402 D CB 0.065 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 -0.055 119.350 119.300 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 -1.208 57.924 59.018 0.189 0.000 1.142 403 C CB 0.320 28.136 27.740 0.126 0.000 1.559 403 C HN 0.489 nan 8.230 nan 0.000 0.408 404 L N 0.572 121.893 121.223 0.163 0.000 2.611 404 L HA 0.721 5.061 4.340 -0.000 0.000 0.260 404 L C -1.691 175.224 176.870 0.076 0.000 0.924 404 L CA -0.313 54.598 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 5.115 125.026 119.914 -0.004 0.000 2.409 405 V HA 0.474 4.594 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 1.802 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 3.993 125.238 121.223 0.037 0.000 2.346 406 L HA 1.019 5.359 4.340 -0.000 0.000 0.274 406 L C -0.585 176.291 176.870 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 43.773 42.059 0.031 0.000 1.284 406 L HN 0.529 nan 8.230 nan 0.000 0.424 407 C N 0.300 119.598 119.300 -0.003 0.000 2.880 407 C HA 0.809 5.269 4.460 -0.000 0.000 0.320 407 C C -0.041 174.889 174.990 -0.100 0.000 1.176 407 C CA -0.553 58.434 59.018 -0.052 0.000 1.390 407 C CB 1.739 29.412 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 1.750 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 -1.565 61.267 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 1.139 178.374 177.300 -0.109 0.000 1.244 410 P CA -0.207 62.766 63.100 -0.212 0.000 0.784 410 P CB 0.466 31.874 31.700 -0.487 0.000 0.913 411 R N 2.106 122.436 120.500 -0.283 0.000 2.133 411 R HA -0.247 4.093 4.340 -0.000 0.000 0.245 411 R C 1.744 177.912 176.300 -0.221 0.000 1.137 411 R CA 1.941 57.829 56.100 -0.354 0.000 0.947 411 R CB -0.431 29.613 30.300 -0.427 0.000 0.865 411 R HN 0.619 nan 8.270 nan 0.000 0.437 412 E N -0.840 119.251 120.200 -0.181 0.000 2.149 412 E HA -0.298 4.052 4.350 -0.000 0.000 0.215 412 E C 1.877 178.415 176.600 -0.103 0.000 1.055 412 E CA 2.093 58.423 56.400 -0.117 0.000 0.870 412 E CB -0.269 29.391 29.700 -0.066 0.000 0.764 412 E HN 0.278 nan 8.360 nan 0.000 0.463 413 T N -0.960 113.510 114.554 -0.141 0.000 3.055 413 T HA 0.024 4.374 4.350 -0.000 0.000 0.265 413 T C 1.410 176.045 174.700 -0.109 0.000 1.111 413 T CA 0.595 62.622 62.100 -0.122 0.000 1.118 413 T CB 0.339 69.017 68.868 -0.316 0.000 0.909 413 T HN -0.038 nan 8.240 nan 0.000 0.501 414 V N -0.716 119.120 119.914 -0.130 0.000 3.368 414 V HA 0.215 4.334 4.120 -0.000 0.000 0.255 414 V C 2.022 177.993 176.094 -0.205 0.000 1.466 414 V CA 0.250 62.473 62.300 -0.128 0.000 1.095 414 V CB 1.030 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 0.541 120.264 119.914 -0.317 0.000 2.426 415 V HA 0.066 4.186 4.120 -0.000 0.000 0.242 415 V C 2.518 178.393 176.094 -0.364 0.000 1.036 415 V CA 2.199 64.158 62.300 -0.568 0.000 1.044 415 V CB -0.783 30.456 31.823 -0.973 0.000 0.688 415 V HN 0.534 nan 8.190 nan 0.000 0.462 416 G N 1.607 110.265 108.800 -0.237 0.000 2.464 416 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.214 416 G HA3 -0.098 3.862 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 1.095 46.117 45.100 -0.129 0.000 0.794 416 G HN 0.529 nan 8.290 nan 0.000 0.542 417 I N 0.757 121.283 120.570 -0.072 0.000 3.194 417 I HA 0.360 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 -3.349 57.926 61.300 -0.042 0.000 1.328 417 I CB -0.571 37.413 38.000 -0.027 0.000 1.404 417 I HN 0.013 nan 8.210 nan 0.000 0.618 418 P HA 0.163 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 -0.467 62.624 63.100 -0.014 0.000 0.802 418 P CB 0.977 32.673 31.700 -0.006 0.000 1.035 419 V N 0.349 120.259 119.914 -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 64.780 62.300 -0.004 0.000 1.051 419 V CB -1.947 29.876 31.823 0.000 0.000 0.658 419 V HN 0.621 nan 8.190 nan 0.000 0.455 420 T N 0.369 114.925 114.554 0.004 0.000 2.536 420 T HA -0.300 4.049 4.350 -0.000 0.000 0.263 420 T C 2.062 176.770 174.700 0.014 0.000 1.115 420 T CA 2.333 64.438 62.100 0.009 0.000 1.180 420 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 0.419 421 R N 0.931 121.439 120.500 0.013 0.000 2.091 421 R HA -0.042 4.298 4.340 -0.000 0.000 0.238 421 R C 2.840 179.157 176.300 0.028 0.000 1.136 421 R CA 1.208 57.320 56.100 0.021 0.000 0.959 421 R CB -0.705 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 2.303 54.340 52.037 -0.000 0.000 0.650 422 A CB -0.964 18.025 19.000 -0.019 0.000 0.836 422 A HN 0.152 nan 8.150 nan 0.000 0.454 423 V N 0.420 120.344 119.914 0.017 0.000 2.295 423 V HA -0.258 3.862 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 2.202 64.517 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 0.517 nan 8.190 nan 0.000 0.447 424 D N 0.618 121.052 120.400 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 1.756 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 2.216 177.782 175.510 0.094 0.000 1.044 425 N CA 0.461 53.664 53.050 0.256 0.000 0.851 425 N CB -0.821 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 0.772 122.012 121.223 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 -0.638 119.343 119.914 0.112 0.000 2.379 427 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 427 V C 2.108 178.279 176.094 0.130 0.000 1.044 427 V CA 1.652 64.014 62.300 0.103 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 -0.424 118.387 118.700 0.185 0.000 2.061 428 N HA -0.244 4.496 4.740 -0.000 0.000 0.193 428 N C 1.393 177.077 175.510 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 0.699 nan 8.380 nan 0.000 0.424 429 W N 2.248 123.552 121.300 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 0.949 58.232 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 -0.410 120.106 120.500 0.028 0.000 2.316 430 R HA -0.026 4.314 4.340 -0.000 0.000 0.202 430 R C 1.741 177.966 176.300 -0.125 0.000 1.029 430 R CA 1.501 57.539 56.100 -0.103 0.000 1.018 430 R CB -0.374 29.936 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 0.853 175.540 174.700 -0.021 0.000 0.998 431 T CA 0.993 63.066 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 0.616 123.465 122.820 0.049 0.000 3.522 432 A HA 0.597 4.917 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 53.382 52.037 0.075 0.000 1.277 432 A CB -1.375 17.644 19.000 0.032 0.000 0.984 432 A HN 1.812 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 -2.983 105.865 108.800 0.081 0.000 2.622 434 G HA2 0.214 4.174 3.960 -0.000 0.000 0.206 434 G HA3 0.214 4.174 3.960 -0.000 0.000 0.206 434 G C 1.614 176.495 174.900 -0.031 0.000 1.458 434 G CA 1.836 46.951 45.100 0.026 0.000 0.919 434 G HN 1.344 nan 8.290 nan 0.000 0.508 435 S N -0.096 115.511 115.700 -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 0.430 58.440 58.200 -0.318 0.000 0.957 435 S CB -0.205 62.638 63.200 -0.594 0.000 0.826 435 S HN 0.427 nan 8.310 nan 0.000 0.491 436 Y N 2.133 122.507 120.300 0.122 0.000 2.826 436 Y HA 0.368 4.918 4.550 -0.000 0.000 0.371 436 Y C 1.753 177.743 175.900 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 1.054 175.822 174.700 0.114 0.000 1.051 437 T CA 2.006 64.179 62.100 0.121 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 1.757 122.232 120.400 0.124 0.000 2.154 438 D HA 0.008 4.648 4.640 -0.000 0.000 0.211 438 D C 0.909 177.296 176.300 0.146 0.000 0.977 438 D CA 0.603 54.668 54.000 0.107 0.000 0.869 438 D CB -0.446 40.409 40.800 0.091 0.000 1.022 438 D HN 0.317 nan 8.370 nan 0.000 0.461 439 N N 2.325 121.157 118.700 0.220 0.000 3.254 439 N HA 0.027 4.767 4.740 -0.000 0.000 0.308 439 N C -0.332 175.423 175.510 0.408 0.000 1.281 439 N CA -0.019 53.211 53.050 0.300 0.000 1.212 439 N CB -0.485 38.199 38.487 0.328 0.000 1.478 439 N HN 0.464 nan 8.380 nan 0.000 0.548 440 N N -0.221 118.589 118.700 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 52.596 53.050 -0.068 0.000 0.972 440 N CB 0.843 39.291 38.487 -0.063 0.000 1.207 440 N HN 0.024 nan 8.380 nan 0.000 0.525 441 F N 0.176 119.514 119.950 -1.021 0.000 2.850 441 F HA 0.296 4.823 4.527 -0.000 0.000 0.329 441 F C 0.201 175.661 175.800 -0.566 0.000 1.182 441 F CA -1.102 56.329 58.000 -0.948 0.000 1.270 441 F CB -0.691 37.152 39.000 -1.927 0.000 0.979 441 F HN 0.439 nan 8.300 nan 0.000 0.506 442 N N 3.380 121.804 118.700 -0.460 0.000 3.027 442 N HA 0.072 4.812 4.740 -0.000 0.000 0.309 442 N C -0.244 175.036 175.510 -0.383 0.000 1.222 442 N CA 0.282 53.109 53.050 -0.372 0.000 1.187 442 N CB -0.644 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 -2.651 117.574 120.570 -0.573 0.000 3.206 443 I HA 0.614 4.783 4.170 -0.000 0.000 0.313 443 I C -0.392 175.484 176.117 -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 -0.528 0.000 1.240 443 I HN -0.041 nan 8.210 nan 0.000 0.464 444 S N 2.004 117.545 115.700 -0.265 0.000 2.488 444 S HA 0.316 4.786 4.470 -0.000 0.000 0.151 444 S C -0.845 173.684 174.600 -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 63.341 63.200 -0.141 0.000 1.407 444 S HN 0.832 nan 8.310 nan 0.000 0.406 445 S N 1.515 117.152 115.700 -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 64.613 63.200 0.012 0.000 1.032 445 S HN 0.780 nan 8.310 nan 0.000 0.510 446 T N 2.264 116.828 114.554 0.018 0.000 3.072 446 T HA 0.029 4.379 4.350 -0.000 0.000 0.266 446 T C 0.826 175.378 174.700 -0.247 0.000 1.127 446 T CA 0.884 62.911 62.100 -0.121 0.000 1.107 446 T CB -0.471 68.287 68.868 -0.183 0.000 0.910 446 T HN 0.721 nan 8.240 nan 0.000 0.513 447 Y N 1.337 121.592 120.300 -0.074 0.000 2.478 447 Y HA 0.621 5.171 4.550 -0.000 0.000 0.261 447 Y C 1.545 177.397 175.900 -0.079 0.000 1.127 447 Y CA -0.698 57.353 58.100 -0.081 0.000 1.288 447 Y CB 0.038 38.431 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 0.710 5.030 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 -0.107 51.952 52.037 0.037 0.000 0.876 448 A CB -0.334 18.664 19.000 -0.004 0.000 1.133 448 A HN 0.230 nan 8.150 nan 0.000 0.533 449 A N 3.765 126.614 122.820 0.050 0.000 2.311 449 A HA 0.623 4.943 4.320 -0.000 0.000 0.306 449 A C -0.061 177.563 177.584 0.067 0.000 1.189 449 A CA -0.462 51.596 52.037 0.035 0.000 0.791 449 A CB 0.355 19.360 19.000 0.009 0.000 1.172 449 A HN 1.031 nan 8.150 nan 0.000 0.481 450 I N 0.755 121.379 120.570 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 1.979 40.096 38.000 0.195 0.000 1.352 450 I HN 0.709 nan 8.210 nan 0.000 0.565 451 D N 1.306 121.678 120.400 -0.046 0.000 2.738 451 D HA 0.436 5.076 4.640 -0.000 0.000 0.218 451 D C -0.116 176.053 176.300 -0.218 0.000 1.345 451 D CA -0.147 53.783 54.000 -0.118 0.000 0.943 451 D CB 1.689 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 0.441 175.259 174.900 -0.138 0.000 1.076 452 G CA 0.019 45.046 45.100 -0.122 0.000 0.789 452 G HN 0.564 nan 8.290 nan 0.000 0.546 453 N N -1.883 116.719 118.700 -0.162 0.000 3.550 453 N HA 0.512 5.251 4.740 -0.000 0.000 0.357 453 N C -1.567 173.779 175.510 -0.273 0.000 1.585 453 N CA -0.862 52.090 53.050 -0.163 0.000 0.651 453 N CB 0.971 39.443 38.487 -0.025 0.000 2.273 453 N HN 0.005 nan 8.380 nan 0.000 0.631 454 Y N -0.045 120.275 120.300 0.033 0.000 2.441 454 Y HA 0.285 4.835 4.550 -0.000 0.000 0.334 454 Y C -0.669 175.473 175.900 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 0.388 nan 8.280 nan 0.000 0.441 455 K N 2.857 123.621 120.400 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 33.608 32.500 0.274 0.000 1.021 455 K HN 0.776 nan 8.250 nan 0.000 0.463 456 Y N 3.092 123.339 120.300 -0.088 0.000 2.587 456 Y HA 0.179 4.729 4.550 -0.000 0.000 0.328 456 Y C -0.188 175.548 175.900 -0.273 0.000 0.980 456 Y CA -0.315 57.418 58.100 -0.613 0.000 1.272 456 Y CB 0.918 38.613 38.460 -1.276 0.000 1.094 456 Y HN 0.707 nan 8.280 nan 0.000 0.503 457 Q N 3.221 122.800 119.800 -0.369 0.000 2.166 457 Q HA 0.327 4.667 4.340 -0.000 0.000 0.226 457 Q C -1.613 174.227 176.000 -0.266 0.000 0.989 457 Q CA -0.986 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 0.713 nan 8.270 nan 0.000 0.509 458 Y N 0.508 120.682 120.300 -0.209 0.000 2.377 458 Y HA 0.298 4.848 4.550 -0.000 0.000 0.339 458 Y C -1.207 174.624 175.900 -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 6.399 126.290 120.400 -0.848 0.000 2.499 459 D HA 0.075 4.715 4.640 -0.000 0.000 0.225 459 D C 0.748 176.551 176.300 -0.827 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 2.395 122.414 120.400 -0.635 0.000 2.362 460 K HA -0.224 4.096 4.320 -0.000 0.000 0.202 460 K C 0.381 176.719 176.600 -0.436 0.000 1.045 460 K CA 1.082 57.124 56.287 -0.409 0.000 0.936 460 K CB -0.154 32.237 32.500 -0.182 0.000 0.747 460 K HN 0.352 nan 8.250 nan 0.000 0.467 461 Y N 1.632 121.786 120.300 -0.244 0.000 2.186 461 Y HA 0.044 4.594 4.550 -0.000 0.000 0.286 461 Y C 2.231 178.013 175.900 -0.197 0.000 1.109 461 Y CA 0.985 58.959 58.100 -0.210 0.000 1.099 461 Y CB -0.435 37.847 38.460 -0.298 0.000 1.030 461 Y HN 0.085 nan 8.280 nan 0.000 0.495 462 N N 0.208 118.874 118.700 -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 1.526 54.523 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 -0.324 119.941 120.400 -0.225 0.000 2.739 463 D HA -0.143 4.497 4.640 -0.000 0.000 0.240 463 D C -1.382 174.803 176.300 -0.191 0.000 1.114 463 D CA 0.301 54.166 54.000 -0.226 0.000 0.695 463 D CB -1.079 39.692 40.800 -0.049 0.000 1.078 463 D HN -0.049 nan 8.370 nan 0.000 0.434 464 V N 0.143 119.863 119.914 -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 -1.295 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 3.009 121.606 118.700 -0.173 0.000 2.514 465 N HA 0.530 5.270 4.740 -0.000 0.000 0.277 465 N C -0.388 174.801 175.510 -0.536 0.000 1.126 465 N CA -0.217 52.602 53.050 -0.386 0.000 0.978 465 N CB 1.428 39.741 38.487 -0.290 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 0.270 4.610 4.340 -0.000 0.000 0.274 466 R C -1.499 174.510 176.300 -0.485 0.000 1.031 466 R CA -0.672 55.153 56.100 -0.458 0.000 0.898 466 R CB 1.143 31.304 30.300 -0.233 0.000 1.222 466 R HN 0.466 nan 8.270 nan 0.000 0.455 467 W N 4.234 125.484 121.300 -0.084 0.000 2.322 467 W HA 0.384 5.044 4.660 -0.000 0.000 0.307 467 W C 0.120 176.603 176.519 -0.060 0.000 1.220 467 W CA -0.277 57.072 57.345 0.007 0.000 1.210 467 W CB 1.620 31.108 29.460 0.047 0.000 1.223 467 W HN 0.310 nan 8.180 nan 0.000 0.511 468 V N 2.022 122.087 119.914 0.251 0.000 2.876 468 V HA 0.641 4.761 4.120 -0.000 0.000 0.312 468 V C -2.438 173.831 176.094 0.292 0.000 1.085 468 V CA -3.508 58.881 62.300 0.148 0.000 0.945 468 V CB 1.772 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 0.029 nan 4.420 nan 0.000 0.264 469 P C 0.351 177.852 177.300 0.334 0.000 1.193 469 P CA 0.088 63.574 63.100 0.644 0.000 0.763 469 P CB 1.178 33.111 31.700 0.389 0.000 0.810 470 L N 4.713 126.059 121.223 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 1.723 56.626 54.840 0.104 0.000 0.793 470 L CB -1.705 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 0.046 122.874 122.820 0.013 0.000 1.884 471 A HA -0.291 4.029 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 2.394 54.440 52.037 0.014 0.000 0.637 471 A CB -1.307 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 -0.665 122.211 122.820 0.093 0.000 1.971 472 A HA -0.325 3.995 4.320 -0.000 0.000 0.222 472 A C 1.959 179.660 177.584 0.196 0.000 1.182 472 A CA 2.429 54.543 52.037 0.129 0.000 0.649 472 A CB -0.664 18.413 19.000 0.129 0.000 0.818 472 A HN 0.641 nan 8.150 nan 0.000 0.458 473 D N -0.032 120.457 120.400 0.148 0.000 2.106 473 D HA -0.108 4.532 4.640 -0.000 0.000 0.203 473 D C 2.063 178.308 176.300 -0.092 0.000 0.977 473 D CA 1.515 55.588 54.000 0.122 0.000 0.844 473 D CB -0.312 40.572 40.800 0.140 0.000 1.002 473 D HN 0.580 nan 8.370 nan 0.000 0.461 474 I N -0.607 119.917 120.570 -0.077 0.000 2.399 474 I HA -0.241 3.929 4.170 -0.000 0.000 0.254 474 I C 2.241 178.287 176.117 -0.119 0.000 1.146 474 I CA 1.656 62.873 61.300 -0.137 0.000 1.412 474 I CB -0.447 37.514 38.000 -0.065 0.000 1.076 474 I HN -0.096 nan 8.210 nan 0.000 0.432 475 A N 1.917 124.740 122.820 0.005 0.000 1.902 475 A HA -0.032 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 1.825 53.926 52.037 0.106 0.000 0.623 475 A CB -1.579 17.531 19.000 0.183 0.000 0.818 475 A HN 0.563 nan 8.150 nan 0.000 0.443 476 G N -0.716 108.119 108.800 0.060 0.000 2.422 476 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.218 476 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.218 476 G C 1.333 175.947 174.900 -0.477 0.000 1.140 476 G CA 0.956 45.832 45.100 -0.374 0.000 0.775 476 G HN 0.422 nan 8.290 nan 0.000 0.545 477 L N 0.349 121.133 121.223 -0.732 0.000 2.456 477 L HA 0.090 4.430 4.340 -0.000 0.000 0.224 477 L C 2.309 179.044 176.870 -0.225 0.000 1.148 477 L CA 0.776 55.261 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 -2.165 117.050 119.300 -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 0.185 59.173 59.018 -0.050 0.000 1.732 478 C CB -0.975 26.760 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 -0.184 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 18.648 19.000 0.030 0.000 0.809 479 A HN 0.560 nan 8.150 nan 0.000 0.457 480 R N -0.178 120.312 120.500 -0.017 0.000 1.633 480 R HA 0.046 4.385 4.340 -0.000 0.000 0.129 480 R C 0.441 176.741 176.300 -0.001 0.000 0.840 480 R CA 0.842 56.944 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 2.802 117.351 114.554 -0.008 0.000 2.777 481 T HA -0.088 4.262 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 0.481 62.578 62.100 -0.006 0.000 1.156 481 T CB -0.260 68.600 68.868 -0.014 0.000 1.019 481 T HN 0.253 nan 8.240 nan 0.000 0.503 482 D N 1.681 122.081 120.400 0.000 0.000 3.343 482 D HA -0.187 4.453 4.640 -0.000 0.000 0.231 482 D C 0.309 176.614 176.300 0.007 0.000 1.749 482 D CA 1.383 55.384 54.000 0.002 0.000 1.081 482 D CB -0.486 40.313 40.800 -0.002 0.000 0.753 482 D HN 0.774 nan 8.370 nan 0.000 0.889 483 N N -0.519 118.186 118.700 0.009 0.000 2.483 483 N HA 0.589 5.329 4.740 -0.000 0.000 0.285 483 N C -0.242 175.279 175.510 0.018 0.000 1.210 483 N CA -0.520 52.540 53.050 0.016 0.000 0.931 483 N CB 1.123 39.622 38.487 0.020 0.000 1.220 483 N HN 0.435 nan 8.380 nan 0.000 0.542 497 G N 1.901 110.702 108.800 0.002 0.000 3.313 497 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.659 497 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.659 497 G C -0.746 174.172 174.900 0.031 0.000 1.286 497 G CA -1.014 44.095 45.100 0.016 0.000 1.077 497 G HN 0.040 nan 8.290 nan 0.000 0.551 498 Q N 0.477 120.300 119.800 0.039 0.000 2.394 498 Q HA 0.297 4.637 4.340 -0.000 0.000 0.303 498 Q C 1.456 177.508 176.000 0.087 0.000 1.117 498 Q CA 0.241 56.075 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 1.631 122.260 120.570 0.098 0.000 2.677 499 I HA 0.094 4.264 4.170 -0.000 0.000 0.305 499 I C 0.673 176.877 176.117 0.145 0.000 0.988 499 I CA -0.362 61.036 61.300 0.164 0.000 1.260 499 I CB 0.216 38.303 38.000 0.144 0.000 1.410 499 I HN 0.742 nan 8.210 nan 0.000 0.523 500 L N 2.721 124.049 121.223 0.174 0.000 1.982 500 L HA -0.116 4.223 4.340 -0.000 0.000 0.206 500 L C 1.331 178.229 176.870 0.045 0.000 1.078 500 L CA 1.703 56.579 54.840 0.059 0.000 0.749 500 L CB -0.716 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 -1.151 117.585 118.700 0.059 0.000 2.214 501 N HA 0.150 4.890 4.740 -0.000 0.000 0.214 501 N C -0.095 175.450 175.510 0.058 0.000 1.132 501 N CA -0.150 52.928 53.050 0.046 0.000 0.856 501 N CB 0.040 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 1.734 121.694 119.914 0.075 0.000 3.178 502 V HA -0.005 4.115 4.120 -0.000 0.000 0.306 502 V C 1.489 177.621 176.094 0.065 0.000 1.107 502 V CA 0.484 62.832 62.300 0.081 0.000 1.195 502 V CB 0.643 32.525 31.823 0.098 0.000 0.993 502 V HN 0.465 nan 8.190 nan 0.000 0.493 503 I N -0.890 119.728 120.570 0.080 0.000 4.453 503 I HA 0.555 4.725 4.170 -0.000 0.000 0.342 503 I C -0.119 176.049 176.117 0.086 0.000 1.341 503 I CA -0.169 61.179 61.300 0.079 0.000 1.217 503 I CB 0.193 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 -0.552 55.771 56.287 0.060 0.000 0.960 504 K CB 1.452 33.884 32.500 -0.114 0.000 1.374 504 K HN 0.260 nan 8.250 nan 0.000 0.400 505 L N 2.751 124.101 121.223 0.212 0.000 2.341 505 L HA 0.561 4.901 4.340 -0.000 0.000 0.267 505 L C 1.375 178.469 176.870 0.373 0.000 1.009 505 L CA -0.587 54.450 54.840 0.328 0.000 0.819 505 L CB 1.763 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 3.000 126.038 122.820 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 0.056 0.000 1.177 506 A CA 1.478 53.562 52.037 0.079 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 -4.720 115.889 120.570 0.064 0.000 2.769 507 I HA 0.805 4.975 4.170 -0.000 0.000 0.298 507 I C -1.378 174.768 176.117 0.049 0.000 1.128 507 I CA -0.753 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 2.677 122.901 120.200 0.039 0.000 2.343 508 E HA 0.268 4.618 4.350 -0.000 0.000 0.286 508 E C -0.517 176.098 176.600 0.025 0.000 0.915 508 E CA -0.165 56.257 56.400 0.037 0.000 0.784 508 E CB 2.632 32.360 29.700 0.047 0.000 1.251 508 E HN 0.888 nan 8.360 nan 0.000 0.407 509 T N -1.067 113.499 114.554 0.021 0.000 3.075 509 T HA 0.344 4.694 4.350 -0.000 0.000 0.251 509 T C -1.121 173.587 174.700 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