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 1ken_1_C DATA FIRST_RESID 9 DATA SEQUENCE STATLCLGHH AVPNGTLVKT ITDDQIEVTN ATELVQSSST GKIcNNPHRI DATA SEQUENCE LDGIDcTLID ALLGDPHcDV FQNETWDLFV ERSKAFSNcY PYDVPDYASL DATA SEQUENCE RSLVASSGTL EFITEGFTWT GVTQNGGSNA cKRGPGSGFF SRLNWLTKSG DATA SEQUENCE STYPVLNVTM PNNDNFDKLY IWGIHHPSTN QEQTSLYVQA SGRVTVSTRR DATA SEQUENCE SQQTIIPNIG SRPWVRGLSS RISIYWTIVK PGDVLVINSN GNLIAPRGYF DATA SEQUENCE KMRTGKSSIM RSDAPIDTcI SEcITPNGSI PNDKPFQNVN KITYGAcPKY DATA SEQUENCE VKQNTLKLAT GMRNVPEKQT 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.599 174.600 -0.001 0.000 1.055 9 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 9 S CB 0.000 63.199 63.200 -0.001 0.000 0.593 10 T N 0.814 115.367 114.554 -0.001 0.000 2.909 10 T HA 0.918 5.267 4.350 -0.000 0.000 0.251 10 T C 0.217 174.916 174.700 -0.002 0.000 1.119 10 T CA 0.153 62.252 62.100 -0.001 0.000 1.009 10 T CB 0.382 69.249 68.868 -0.002 0.000 2.376 10 T HN 1.136 nan 8.240 nan 0.000 0.526 11 A N -0.015 122.804 122.820 -0.002 0.000 2.469 11 A HA 0.747 5.067 4.320 -0.000 0.000 0.299 11 A C -0.623 176.959 177.584 -0.003 0.000 1.098 11 A CA -0.775 51.261 52.037 -0.002 0.000 0.737 11 A CB 1.542 20.541 19.000 -0.002 0.000 1.312 11 A HN 0.733 nan 8.150 nan 0.000 0.414 12 T N 2.067 116.619 114.554 -0.003 0.000 2.861 12 T HA 0.547 4.897 4.350 -0.000 0.000 0.287 12 T C -1.288 173.409 174.700 -0.005 0.000 1.003 12 T CA -0.385 61.712 62.100 -0.004 0.000 0.977 12 T CB 1.192 70.058 68.868 -0.004 0.000 0.996 12 T HN 0.484 nan 8.240 nan 0.000 0.448 13 L N 3.221 124.440 121.223 -0.006 0.000 2.343 13 L HA 0.552 4.892 4.340 -0.000 0.000 0.278 13 L C -0.798 176.065 176.870 -0.011 0.000 0.996 13 L CA -0.425 54.410 54.840 -0.008 0.000 0.831 13 L CB 0.651 42.706 42.059 -0.007 0.000 1.232 13 L HN 0.814 nan 8.230 nan 0.000 0.413 14 C N 5.905 125.198 119.300 -0.012 0.000 2.370 14 C HA 0.744 5.203 4.460 -0.000 0.000 0.354 14 C C 0.354 175.331 174.990 -0.022 0.000 1.218 14 C CA -0.747 58.261 59.018 -0.018 0.000 2.154 14 C CB 0.984 28.716 27.740 -0.015 0.000 2.391 14 C HN 0.747 nan 8.230 nan 0.000 0.540 15 L N 1.245 122.447 121.223 -0.035 0.000 2.409 15 L HA 1.088 5.428 4.340 -0.000 0.000 0.255 15 L C -0.194 176.630 176.870 -0.076 0.000 1.027 15 L CA -0.303 54.514 54.840 -0.039 0.000 0.834 15 L CB 1.765 43.806 42.059 -0.031 0.000 1.426 15 L HN 0.832 nan 8.230 nan 0.000 0.411 16 G N -0.459 108.296 108.800 -0.075 0.000 2.392 16 G HA2 0.350 4.310 3.960 -0.000 0.000 0.260 16 G HA3 0.350 4.310 3.960 -0.000 0.000 0.260 16 G C -0.990 173.884 174.900 -0.044 0.000 1.226 16 G CA 0.222 45.226 45.100 -0.160 0.000 0.913 16 G HN 1.115 nan 8.290 nan 0.000 0.483 17 H N -0.376 118.738 119.070 0.073 0.000 4.026 17 H HA 0.775 5.331 4.556 -0.000 0.000 0.141 17 H C 1.054 176.527 175.328 0.241 0.000 1.513 17 H CA 1.182 57.318 56.048 0.147 0.000 1.514 17 H CB -0.464 29.375 29.762 0.128 0.000 1.208 17 H HN 1.137 nan 8.280 nan 0.000 0.549 18 H N -1.562 117.721 119.070 0.355 0.000 3.432 18 H HA 0.676 5.232 4.556 -0.000 0.000 0.277 18 H C -1.040 174.202 175.328 -0.144 0.000 1.555 18 H CA -0.525 55.595 56.048 0.121 0.000 1.232 18 H CB 0.284 30.079 29.762 0.055 0.000 1.859 18 H HN 1.059 nan 8.280 nan 0.000 0.844 19 A N -0.420 122.042 122.820 -0.597 0.000 3.828 19 A HA 0.640 4.959 4.320 -0.000 0.000 0.260 19 A C -1.345 176.062 177.584 -0.296 0.000 0.983 19 A CA 0.353 52.066 52.037 -0.540 0.000 0.549 19 A CB -0.031 18.771 19.000 -0.330 0.000 1.718 19 A HN 1.729 nan 8.150 nan 0.000 0.841 20 V N -5.202 114.601 119.914 -0.185 0.000 3.175 20 V HA 0.592 4.712 4.120 -0.000 0.000 0.264 20 V C -2.773 173.274 176.094 -0.079 0.000 1.816 20 V CA -0.253 61.987 62.300 -0.099 0.000 0.989 20 V CB 1.248 33.020 31.823 -0.086 0.000 1.332 20 V HN 0.928 nan 8.190 nan 0.000 0.466 21 P HA 0.096 nan 4.420 nan 0.000 0.242 21 P C 0.409 177.689 177.300 -0.034 0.000 1.176 21 P CA 0.908 63.985 63.100 -0.038 0.000 0.859 21 P CB 0.108 31.792 31.700 -0.025 0.000 1.010 22 N N 0.475 119.157 118.700 -0.031 0.000 2.623 22 N HA 0.210 4.949 4.740 -0.000 0.000 0.263 22 N C 0.763 176.255 175.510 -0.030 0.000 1.218 22 N CA -0.526 52.509 53.050 -0.025 0.000 0.949 22 N CB -0.155 38.321 38.487 -0.018 0.000 1.270 22 N HN -0.082 nan 8.380 nan 0.000 0.507 23 G N 0.759 109.536 108.800 -0.039 0.000 2.554 23 G HA2 0.235 4.195 3.960 -0.000 0.000 0.238 23 G HA3 0.235 4.195 3.960 -0.000 0.000 0.238 23 G C 0.178 175.060 174.900 -0.031 0.000 1.259 23 G CA -0.252 44.823 45.100 -0.043 0.000 0.843 23 G HN 0.347 nan 8.290 nan 0.000 0.582 24 T N -0.316 114.220 114.554 -0.028 0.000 2.859 24 T HA 0.603 4.953 4.350 -0.000 0.000 0.281 24 T C 0.152 174.841 174.700 -0.019 0.000 1.005 24 T CA -0.807 61.281 62.100 -0.020 0.000 1.025 24 T CB 1.619 70.477 68.868 -0.017 0.000 0.977 24 T HN 0.300 nan 8.240 nan 0.000 0.458 25 L N 2.774 123.989 121.223 -0.014 0.000 2.395 25 L HA 0.691 5.031 4.340 -0.000 0.000 0.269 25 L C 0.381 177.247 176.870 -0.008 0.000 1.133 25 L CA -0.438 54.395 54.840 -0.011 0.000 0.812 25 L CB 1.221 43.274 42.059 -0.009 0.000 1.125 25 L HN 0.801 nan 8.230 nan 0.000 0.452 26 V N -0.106 119.804 119.914 -0.006 0.000 3.103 26 V HA 0.627 4.747 4.120 -0.000 0.000 0.311 26 V C -1.199 174.896 176.094 0.001 0.000 1.322 26 V CA -1.002 61.297 62.300 -0.002 0.000 1.063 26 V CB 2.030 33.852 31.823 -0.002 0.000 1.090 26 V HN 0.738 nan 8.190 nan 0.000 0.462 27 K N 0.783 121.186 120.400 0.005 0.000 2.378 27 K HA 0.807 5.127 4.320 -0.000 0.000 0.252 27 K C -0.826 175.779 176.600 0.009 0.000 0.931 27 K CA 0.219 56.510 56.287 0.006 0.000 0.794 27 K CB 2.251 34.756 32.500 0.009 0.000 1.181 27 K HN 1.265 nan 8.250 nan 0.000 0.425 28 T N 0.250 114.808 114.554 0.008 0.000 2.838 28 T HA 0.306 4.656 4.350 -0.000 0.000 0.292 28 T C 1.440 176.146 174.700 0.009 0.000 1.113 28 T CA -0.951 61.155 62.100 0.009 0.000 1.008 28 T CB 0.568 69.441 68.868 0.008 0.000 1.259 28 T HN 0.370 nan 8.240 nan 0.000 0.520 29 I N 1.397 121.973 120.570 0.010 0.000 2.285 29 I HA -0.243 3.926 4.170 -0.000 0.000 0.254 29 I C 2.422 178.543 176.117 0.008 0.000 1.093 29 I CA 2.647 63.952 61.300 0.009 0.000 1.368 29 I CB -1.900 36.106 38.000 0.010 0.000 1.054 29 I HN 1.026 nan 8.210 nan 0.000 0.435 30 T N -3.872 110.686 114.554 0.007 0.000 3.085 30 T HA 0.135 4.484 4.350 -0.000 0.000 0.241 30 T C 0.398 175.101 174.700 0.005 0.000 0.988 30 T CA -0.324 61.780 62.100 0.006 0.000 1.117 30 T CB 0.000 68.871 68.868 0.005 0.000 0.978 30 T HN 0.088 nan 8.240 nan 0.000 0.454 31 D N 2.790 123.193 120.400 0.004 0.000 2.168 31 D HA 0.406 5.046 4.640 -0.000 0.000 0.246 31 D C 0.137 176.439 176.300 0.003 0.000 1.050 31 D CA -0.549 53.453 54.000 0.003 0.000 0.857 31 D CB 1.512 42.313 40.800 0.002 0.000 1.169 31 D HN 0.335 nan 8.370 nan 0.000 0.453 32 D N 0.950 121.352 120.400 0.003 0.000 2.360 32 D HA -0.060 4.580 4.640 -0.000 0.000 0.210 32 D C -0.223 176.078 176.300 0.001 0.000 1.047 32 D CA 0.171 54.172 54.000 0.003 0.000 0.854 32 D CB 0.299 41.100 40.800 0.003 0.000 0.936 32 D HN 0.127 nan 8.370 nan 0.000 0.514 33 Q N 0.342 120.142 119.800 -0.000 0.000 2.269 33 Q HA 0.529 4.869 4.340 -0.000 0.000 0.263 33 Q C -0.941 175.057 176.000 -0.004 0.000 0.983 33 Q CA -0.266 55.536 55.803 -0.002 0.000 0.777 33 Q CB 2.570 31.306 28.738 -0.003 0.000 1.273 33 Q HN 0.220 nan 8.270 nan 0.000 0.440 34 I N 0.766 121.332 120.570 -0.007 0.000 2.842 34 I HA 0.159 4.329 4.170 -0.000 0.000 0.297 34 I C -0.476 175.632 176.117 -0.016 0.000 1.380 34 I CA -0.447 60.847 61.300 -0.010 0.000 1.018 34 I CB 2.928 40.923 38.000 -0.008 0.000 1.311 34 I HN 0.470 nan 8.210 nan 0.000 0.439 35 E N 5.264 125.451 120.200 -0.023 0.000 2.136 35 E HA 0.300 4.650 4.350 -0.000 0.000 0.246 35 E C -0.914 175.659 176.600 -0.045 0.000 1.017 35 E CA -0.280 56.101 56.400 -0.032 0.000 0.883 35 E CB 1.134 30.813 29.700 -0.035 0.000 1.199 35 E HN 0.405 nan 8.360 nan 0.000 0.447 36 V N 3.321 123.211 119.914 -0.039 0.000 3.441 36 V HA 0.011 4.131 4.120 -0.000 0.000 0.300 36 V C 1.618 177.674 176.094 -0.063 0.000 1.091 36 V CA 0.939 63.211 62.300 -0.048 0.000 1.099 36 V CB 1.449 33.255 31.823 -0.029 0.000 1.138 36 V HN 0.910 nan 8.190 nan 0.000 0.471 37 T N 2.159 116.668 114.554 -0.076 0.000 2.588 37 T HA -0.089 4.261 4.350 -0.000 0.000 0.261 37 T C 0.705 175.379 174.700 -0.043 0.000 1.069 37 T CA 1.425 63.472 62.100 -0.088 0.000 1.172 37 T CB -0.353 68.462 68.868 -0.088 0.000 0.863 37 T HN 0.710 nan 8.240 nan 0.000 0.408 38 N N 0.438 119.126 118.700 -0.021 0.000 2.310 38 N HA 0.568 5.308 4.740 -0.000 0.000 0.292 38 N C -1.746 173.759 175.510 -0.010 0.000 1.049 38 N CA -0.293 52.750 53.050 -0.011 0.000 0.849 38 N CB 2.043 40.531 38.487 0.002 0.000 1.532 38 N HN 0.707 nan 8.380 nan 0.000 0.479 39 A N 1.621 124.434 122.820 -0.011 0.000 2.414 39 A HA 0.723 5.042 4.320 -0.000 0.000 0.306 39 A C -0.658 176.918 177.584 -0.012 0.000 1.054 39 A CA -0.608 51.422 52.037 -0.011 0.000 0.724 39 A CB 1.652 20.645 19.000 -0.011 0.000 1.267 39 A HN 0.525 nan 8.150 nan 0.000 0.418 40 T N 0.041 114.587 114.554 -0.015 0.000 2.932 40 T HA 0.552 4.901 4.350 -0.000 0.000 0.289 40 T C -0.310 174.378 174.700 -0.020 0.000 1.039 40 T CA -0.283 61.806 62.100 -0.018 0.000 1.024 40 T CB 1.240 70.094 68.868 -0.023 0.000 1.090 40 T HN 0.791 nan 8.240 nan 0.000 0.496 41 E N 1.540 121.728 120.200 -0.020 0.000 2.349 41 E HA 0.412 4.761 4.350 -0.000 0.000 0.265 41 E C -0.056 176.523 176.600 -0.035 0.000 1.064 41 E CA 0.020 56.410 56.400 -0.018 0.000 0.886 41 E CB 0.582 30.275 29.700 -0.011 0.000 1.036 41 E HN 0.551 nan 8.360 nan 0.000 0.413 42 L N 2.741 123.946 121.223 -0.030 0.000 3.259 42 L HA 0.298 4.638 4.340 -0.000 0.000 0.292 42 L C -0.823 176.035 176.870 -0.020 0.000 1.219 42 L CA -0.194 54.594 54.840 -0.087 0.000 1.035 42 L CB 1.100 43.072 42.059 -0.144 0.000 1.424 42 L HN 0.265 nan 8.230 nan 0.000 0.603 43 V N 0.856 120.796 119.914 0.042 0.000 2.327 43 V HA 0.160 4.279 4.120 -0.000 0.000 0.272 43 V C 0.222 176.332 176.094 0.027 0.000 1.019 43 V CA -0.477 61.872 62.300 0.082 0.000 0.814 43 V CB 1.356 33.225 31.823 0.076 0.000 1.040 43 V HN 0.176 nan 8.190 nan 0.000 0.440 44 Q N 3.586 123.400 119.800 0.022 0.000 2.444 44 Q HA -0.118 4.222 4.340 -0.000 0.000 0.205 44 Q C 1.659 177.657 176.000 -0.003 0.000 1.227 44 Q CA 0.895 56.702 55.803 0.006 0.000 0.915 44 Q CB -0.445 28.300 28.738 0.011 0.000 1.606 44 Q HN 1.006 nan 8.270 nan 0.000 0.492 45 S N -0.025 115.673 115.700 -0.003 0.000 2.412 45 S HA -0.245 4.224 4.470 -0.000 0.000 0.246 45 S C 0.648 175.247 174.600 -0.002 0.000 1.073 45 S CA 1.478 59.675 58.200 -0.005 0.000 1.186 45 S CB -0.257 62.942 63.200 -0.002 0.000 1.084 45 S HN 0.503 nan 8.310 nan 0.000 0.434 46 S N -1.193 114.509 115.700 0.003 0.000 2.688 46 S HA 0.737 5.207 4.470 -0.000 0.000 0.275 46 S C -0.775 173.832 174.600 0.012 0.000 1.175 46 S CA -0.444 57.761 58.200 0.009 0.000 0.818 46 S CB 2.004 65.209 63.200 0.008 0.000 1.157 46 S HN 0.606 nan 8.310 nan 0.000 0.482 47 S N -0.527 115.182 115.700 0.015 0.000 2.704 47 S HA 0.592 5.062 4.470 -0.000 0.000 0.296 47 S C 0.973 175.582 174.600 0.014 0.000 1.138 47 S CA 0.192 58.402 58.200 0.017 0.000 0.875 47 S CB 1.468 64.683 63.200 0.024 0.000 1.151 47 S HN 0.755 nan 8.310 nan 0.000 0.500 48 T N 0.792 115.354 114.554 0.013 0.000 2.732 48 T HA 0.228 4.577 4.350 -0.000 0.000 0.261 48 T C 1.220 175.927 174.700 0.011 0.000 1.040 48 T CA 2.172 64.278 62.100 0.011 0.000 1.145 48 T CB -1.042 67.831 68.868 0.009 0.000 0.866 48 T HN 1.924 nan 8.240 nan 0.000 0.427 49 G N 0.862 109.670 108.800 0.015 0.000 2.155 49 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.135 49 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.135 49 G C -0.268 174.640 174.900 0.012 0.000 1.023 49 G CA -0.133 44.975 45.100 0.014 0.000 0.688 49 G HN 0.684 nan 8.290 nan 0.000 0.499 50 K N -0.092 120.316 120.400 0.014 0.000 2.498 50 K HA 0.587 4.906 4.320 -0.000 0.000 0.254 50 K C -0.105 176.507 176.600 0.020 0.000 0.933 50 K CA -0.971 55.323 56.287 0.012 0.000 0.806 50 K CB 2.208 34.713 32.500 0.008 0.000 1.301 50 K HN 0.144 nan 8.250 nan 0.000 0.432 51 I N 1.944 122.527 120.570 0.021 0.000 2.371 51 I HA 0.150 4.320 4.170 -0.000 0.000 0.290 51 I C 0.032 176.169 176.117 0.033 0.000 1.028 51 I CA -0.775 60.546 61.300 0.035 0.000 1.345 51 I CB 0.845 38.867 38.000 0.035 0.000 1.407 51 I HN 0.497 nan 8.210 nan 0.000 0.501 52 c N 6.430 125.053 118.600 0.038 0.000 2.566 52 c HA 0.003 4.572 4.570 -0.000 0.000 0.393 52 c C 1.970 176.082 174.090 0.036 0.000 1.309 52 c CA -0.742 55.602 56.329 0.025 0.000 1.801 52 c CB -0.721 41.793 42.510 0.006 0.000 2.493 52 c HN 0.833 nan 8.230 nan 0.000 0.575 53 N N 2.681 121.398 118.700 0.029 0.000 2.585 53 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 53 N C -0.036 175.500 175.510 0.044 0.000 1.102 53 N CA 0.979 54.052 53.050 0.039 0.000 0.920 53 N CB -0.286 38.217 38.487 0.026 0.000 0.963 53 N HN 0.749 nan 8.380 nan 0.000 0.447 54 N N -1.037 117.673 118.700 0.017 0.000 2.455 54 N HA 0.354 5.093 4.740 -0.000 0.000 0.278 54 N C -2.708 172.746 175.510 -0.092 0.000 1.291 54 N CA -1.592 51.450 53.050 -0.013 0.000 0.780 54 N CB 2.770 41.247 38.487 -0.017 0.000 1.520 54 N HN -0.165 nan 8.380 nan 0.000 0.486 55 P HA 0.097 nan 4.420 nan 0.000 0.253 55 P C -0.904 176.351 177.300 -0.075 0.000 1.459 55 P CA 0.467 63.484 63.100 -0.137 0.000 0.908 55 P CB -0.118 31.484 31.700 -0.163 0.000 1.470 56 H N -0.295 118.819 119.070 0.072 0.000 2.544 56 H HA 0.426 4.982 4.556 -0.000 0.000 0.342 56 H C 0.489 175.887 175.328 0.117 0.000 1.185 56 H CA -1.045 55.074 56.048 0.118 0.000 1.264 56 H CB 1.379 31.259 29.762 0.196 0.000 1.607 56 H HN -0.291 nan 8.280 nan 0.000 0.550 57 R N 2.350 123.030 120.500 0.300 0.000 2.296 57 R HA 0.145 4.485 4.340 -0.000 0.000 0.327 57 R C -1.090 175.333 176.300 0.206 0.000 1.137 57 R CA -0.401 55.825 56.100 0.210 0.000 1.020 57 R CB -0.748 29.668 30.300 0.193 0.000 1.110 57 R HN 0.449 nan 8.270 nan 0.000 0.499 58 I N 4.884 125.541 120.570 0.145 0.000 2.440 58 I HA 0.275 4.444 4.170 -0.000 0.000 0.294 58 I C -0.021 176.103 176.117 0.012 0.000 0.995 58 I CA -1.139 60.204 61.300 0.072 0.000 1.306 58 I CB 1.301 39.331 38.000 0.050 0.000 1.407 58 I HN 0.264 nan 8.210 nan 0.000 0.501 59 L N 6.291 127.446 121.223 -0.113 0.000 2.457 59 L HA 0.431 4.771 4.340 -0.000 0.000 0.266 59 L C -0.476 176.146 176.870 -0.414 0.000 0.979 59 L CA -0.384 54.339 54.840 -0.194 0.000 0.857 59 L CB 1.103 43.053 42.059 -0.181 0.000 1.213 59 L HN 0.455 nan 8.230 nan 0.000 0.418 60 D N 2.675 122.948 120.400 -0.211 0.000 2.424 60 D HA 0.192 4.832 4.640 -0.000 0.000 0.244 60 D C 0.946 177.111 176.300 -0.224 0.000 1.134 60 D CA 0.844 54.717 54.000 -0.210 0.000 0.881 60 D CB 2.041 42.796 40.800 -0.075 0.000 1.191 60 D HN 0.813 nan 8.370 nan 0.000 0.445 61 G N 3.710 112.273 108.800 -0.396 0.000 2.539 61 G HA2 0.077 4.037 3.960 -0.000 0.000 0.215 61 G HA3 0.077 4.037 3.960 -0.000 0.000 0.215 61 G C 1.294 176.298 174.900 0.174 0.000 1.141 61 G CA 0.373 45.246 45.100 -0.378 0.000 0.806 61 G HN 0.747 nan 8.290 nan 0.000 0.533 62 I N -0.040 120.568 120.570 0.063 0.000 3.486 62 I HA -0.362 3.807 4.170 -0.000 0.000 0.245 62 I C 1.047 177.165 176.117 0.001 0.000 2.545 62 I CA 1.288 62.627 61.300 0.065 0.000 0.882 62 I CB -0.837 37.255 38.000 0.153 0.000 2.105 62 I HN 0.072 nan 8.210 nan 0.000 0.552 63 D N 1.101 121.471 120.400 -0.050 0.000 2.219 63 D HA -0.002 4.638 4.640 -0.000 0.000 0.205 63 D C 0.599 176.848 176.300 -0.085 0.000 0.970 63 D CA 1.246 55.077 54.000 -0.281 0.000 0.851 63 D CB -0.265 40.125 40.800 -0.682 0.000 0.943 63 D HN 0.307 nan 8.370 nan 0.000 0.488 64 c N 1.825 120.521 118.600 0.161 0.000 2.632 64 c HA 0.274 4.843 4.570 -0.000 0.000 0.415 64 c C 1.156 175.233 174.090 -0.022 0.000 1.332 64 c CA -0.614 55.789 56.329 0.124 0.000 1.874 64 c CB 0.048 42.671 42.510 0.188 0.000 2.596 64 c HN 0.268 nan 8.230 nan 0.000 0.590 65 T N 2.545 117.087 114.554 -0.020 0.000 2.837 65 T HA 0.286 4.636 4.350 -0.000 0.000 0.285 65 T C 0.930 175.469 174.700 -0.268 0.000 0.984 65 T CA -0.703 61.365 62.100 -0.054 0.000 1.049 65 T CB 0.719 69.607 68.868 0.034 0.000 0.947 65 T HN 0.521 nan 8.240 nan 0.000 0.472 66 L N 4.253 125.124 121.223 -0.587 0.000 2.064 66 L HA -0.133 4.206 4.340 -0.000 0.000 0.216 66 L C 2.180 178.691 176.870 -0.600 0.000 1.077 66 L CA 1.865 56.074 54.840 -1.050 0.000 0.766 66 L CB -0.799 40.431 42.059 -1.382 0.000 0.890 66 L HN 0.803 nan 8.230 nan 0.000 0.435 67 I N -0.475 119.844 120.570 -0.419 0.000 2.226 67 I HA -0.279 3.890 4.170 -0.000 0.000 0.245 67 I C 2.220 178.205 176.117 -0.220 0.000 1.100 67 I CA 1.496 62.590 61.300 -0.345 0.000 1.374 67 I CB -1.314 36.506 38.000 -0.300 0.000 1.057 67 I HN 0.376 nan 8.210 nan 0.000 0.413 68 D N 0.937 121.273 120.400 -0.106 0.000 2.117 68 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 68 D C 2.258 178.488 176.300 -0.117 0.000 0.987 68 D CA 1.507 55.476 54.000 -0.050 0.000 0.829 68 D CB 0.048 40.873 40.800 0.042 0.000 0.961 68 D HN 0.286 nan 8.370 nan 0.000 0.460 69 A N 0.995 123.703 122.820 -0.187 0.000 1.883 69 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 69 A C 2.100 179.619 177.584 -0.108 0.000 1.186 69 A CA 1.134 53.087 52.037 -0.139 0.000 0.624 69 A CB -0.829 17.984 19.000 -0.311 0.000 0.822 69 A HN 0.232 nan 8.150 nan 0.000 0.444 70 L N -0.038 121.051 121.223 -0.224 0.000 1.908 70 L HA -0.205 4.135 4.340 -0.000 0.000 0.227 70 L C 2.390 179.163 176.870 -0.162 0.000 1.087 70 L CA 2.330 57.024 54.840 -0.243 0.000 0.797 70 L CB -0.887 40.915 42.059 -0.428 0.000 0.893 70 L HN 0.464 nan 8.230 nan 0.000 0.432 71 L N -0.171 120.878 121.223 -0.290 0.000 2.054 71 L HA -0.199 4.140 4.340 -0.000 0.000 0.220 71 L C 1.421 178.178 176.870 -0.188 0.000 1.081 71 L CA 1.410 56.006 54.840 -0.405 0.000 0.780 71 L CB -1.359 40.182 42.059 -0.862 0.000 0.893 71 L HN 0.807 nan 8.230 nan 0.000 0.438 72 G N 0.078 108.846 108.800 -0.053 0.000 2.618 72 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.180 72 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.180 72 G C -0.136 174.836 174.900 0.120 0.000 1.092 72 G CA -0.152 44.976 45.100 0.046 0.000 0.856 72 G HN 0.305 nan 8.290 nan 0.000 0.496 73 D N 0.054 120.500 120.400 0.077 0.000 2.515 73 D HA 0.016 4.656 4.640 -0.000 0.000 0.230 73 D C -0.202 176.048 176.300 -0.084 0.000 1.181 73 D CA -0.275 53.704 54.000 -0.036 0.000 0.875 73 D CB 1.082 41.784 40.800 -0.163 0.000 1.213 73 D HN 0.140 nan 8.370 nan 0.000 0.478 74 P HA -0.176 nan 4.420 nan 0.000 0.216 74 P C 0.573 177.922 177.300 0.082 0.000 1.154 74 P CA 1.861 64.975 63.100 0.024 0.000 0.865 74 P CB -0.072 31.664 31.700 0.060 0.000 0.789 75 H N -3.509 115.633 119.070 0.121 0.000 2.524 75 H HA 0.254 4.810 4.556 -0.000 0.000 0.280 75 H C 0.568 175.996 175.328 0.167 0.000 1.018 75 H CA -0.014 56.121 56.048 0.145 0.000 1.165 75 H CB -1.123 28.759 29.762 0.199 0.000 1.411 75 H HN 0.029 nan 8.280 nan 0.000 0.569 76 c N 0.633 119.179 118.600 -0.091 0.000 3.038 76 c HA 0.096 4.665 4.570 -0.000 0.000 0.279 76 c C 1.400 175.594 174.090 0.173 0.000 1.276 76 c CA -0.240 56.163 56.329 0.123 0.000 1.697 76 c CB 0.068 42.641 42.510 0.106 0.000 2.032 76 c HN 0.597 nan 8.230 nan 0.000 0.636 77 D N 1.654 122.113 120.400 0.099 0.000 2.200 77 D HA -0.203 4.437 4.640 -0.000 0.000 0.192 77 D C 2.188 178.533 176.300 0.075 0.000 1.008 77 D CA 1.633 55.687 54.000 0.090 0.000 0.872 77 D CB -0.824 40.020 40.800 0.073 0.000 0.923 77 D HN 0.398 nan 8.370 nan 0.000 0.447 78 V N 0.340 120.259 119.914 0.009 0.000 2.317 78 V HA -0.294 3.826 4.120 -0.000 0.000 0.251 78 V C 1.527 177.543 176.094 -0.130 0.000 1.065 78 V CA 1.653 63.876 62.300 -0.128 0.000 1.049 78 V CB -0.659 30.980 31.823 -0.308 0.000 0.651 78 V HN 0.152 nan 8.190 nan 0.000 0.450 79 F N 1.207 121.202 119.950 0.075 0.000 2.703 79 F HA 0.250 4.777 4.527 -0.000 0.000 0.299 79 F C 1.348 177.219 175.800 0.117 0.000 1.229 79 F CA -0.230 57.831 58.000 0.103 0.000 1.430 79 F CB -0.530 38.546 39.000 0.127 0.000 1.053 79 F HN 0.254 nan 8.300 nan 0.000 0.513 80 Q N 0.345 120.276 119.800 0.218 0.000 2.479 80 Q HA -0.114 4.225 4.340 -0.000 0.000 0.267 80 Q C 0.846 176.966 176.000 0.201 0.000 1.071 80 Q CA 0.246 56.160 55.803 0.185 0.000 0.935 80 Q CB 0.010 28.824 28.738 0.126 0.000 1.295 80 Q HN 0.454 nan 8.270 nan 0.000 0.476 81 N N 0.213 119.029 118.700 0.193 0.000 2.608 81 N HA -0.216 4.524 4.740 -0.000 0.000 0.246 81 N C -0.262 175.376 175.510 0.214 0.000 1.162 81 N CA 0.260 53.424 53.050 0.191 0.000 0.736 81 N CB -0.027 38.541 38.487 0.135 0.000 1.078 81 N HN 0.392 nan 8.380 nan 0.000 0.554 82 E N 0.310 120.682 120.200 0.286 0.000 2.428 82 E HA 0.093 4.443 4.350 -0.000 0.000 0.257 82 E C 0.929 177.744 176.600 0.357 0.000 1.197 82 E CA 0.741 57.347 56.400 0.343 0.000 0.974 82 E CB 0.783 30.766 29.700 0.472 0.000 0.976 82 E HN 0.385 nan 8.360 nan 0.000 0.463 83 T N -2.518 112.261 114.554 0.375 0.000 2.716 83 T HA 0.775 5.124 4.350 -0.000 0.000 0.286 83 T C -0.901 174.095 174.700 0.494 0.000 1.052 83 T CA -0.693 61.549 62.100 0.236 0.000 1.024 83 T CB 1.423 70.333 68.868 0.070 0.000 1.349 83 T HN 0.734 nan 8.240 nan 0.000 0.525 84 W N -0.913 120.436 121.300 0.081 0.000 3.083 84 W HA 0.615 5.275 4.660 -0.000 0.000 0.393 84 W C -1.580 174.971 176.519 0.053 0.000 0.791 84 W CA -0.353 57.035 57.345 0.070 0.000 0.933 84 W CB -0.268 29.245 29.460 0.088 0.000 1.460 84 W HN 0.612 nan 8.180 nan 0.000 0.542 85 D N -0.217 120.408 120.400 0.375 0.000 2.409 85 D HA 0.191 4.831 4.640 -0.000 0.000 0.301 85 D C -0.852 175.644 176.300 0.328 0.000 1.095 85 D CA 0.601 54.746 54.000 0.242 0.000 0.929 85 D CB 0.900 41.831 40.800 0.219 0.000 1.623 85 D HN 0.228 nan 8.370 nan 0.000 0.506 86 L N 1.229 122.645 121.223 0.322 0.000 2.471 86 L HA 0.445 4.785 4.340 -0.000 0.000 0.263 86 L C -1.668 175.128 176.870 -0.123 0.000 0.985 86 L CA -0.782 54.062 54.840 0.008 0.000 0.868 86 L CB 0.872 42.799 42.059 -0.220 0.000 1.203 86 L HN -0.160 nan 8.230 nan 0.000 0.429 87 F N 4.990 124.622 119.950 -0.530 0.000 2.427 87 F HA 0.577 5.104 4.527 -0.000 0.000 0.352 87 F C -0.174 175.361 175.800 -0.442 0.000 1.100 87 F CA -0.038 57.483 58.000 -0.798 0.000 1.191 87 F CB 1.029 39.209 39.000 -1.366 0.000 1.128 87 F HN 0.254 nan 8.300 nan 0.000 0.533 88 V N 5.723 125.327 119.914 -0.517 0.000 2.384 88 V HA 0.273 4.393 4.120 -0.000 0.000 0.287 88 V C -0.379 175.593 176.094 -0.203 0.000 1.020 88 V CA -0.878 61.259 62.300 -0.273 0.000 0.850 88 V CB 1.324 32.993 31.823 -0.257 0.000 0.987 88 V HN 0.673 nan 8.190 nan 0.000 0.436 89 E N 4.256 124.438 120.200 -0.030 0.000 2.197 89 E HA 0.472 4.822 4.350 -0.000 0.000 0.281 89 E C -0.436 176.144 176.600 -0.033 0.000 0.995 89 E CA -0.800 55.608 56.400 0.012 0.000 0.808 89 E CB 1.242 30.960 29.700 0.029 0.000 1.093 89 E HN 0.460 nan 8.360 nan 0.000 0.394 90 R N 1.199 121.676 120.500 -0.039 0.000 2.549 90 R HA 0.166 4.506 4.340 -0.000 0.000 0.267 90 R C 0.990 177.273 176.300 -0.029 0.000 1.045 90 R CA -0.321 55.754 56.100 -0.042 0.000 1.115 90 R CB 1.122 31.389 30.300 -0.055 0.000 1.121 90 R HN 0.515 nan 8.270 nan 0.000 0.543 91 S N 1.071 116.756 115.700 -0.024 0.000 2.345 91 S HA -0.132 4.338 4.470 -0.000 0.000 0.219 91 S C 1.346 175.942 174.600 -0.007 0.000 1.031 91 S CA 1.489 59.682 58.200 -0.012 0.000 0.984 91 S CB -0.005 63.190 63.200 -0.009 0.000 0.874 91 S HN 0.614 nan 8.310 nan 0.000 0.451 92 K N 1.248 121.636 120.400 -0.019 0.000 2.520 92 K HA 0.162 4.481 4.320 -0.000 0.000 0.197 92 K C 0.789 177.353 176.600 -0.059 0.000 1.043 92 K CA 0.702 56.979 56.287 -0.017 0.000 0.944 92 K CB -0.668 31.811 32.500 -0.034 0.000 0.770 92 K HN 0.375 nan 8.250 nan 0.000 0.480 93 A N 1.515 124.287 122.820 -0.079 0.000 2.536 93 A HA 0.341 4.661 4.320 -0.000 0.000 0.234 93 A C 0.054 177.638 177.584 -0.001 0.000 1.076 93 A CA 0.050 52.005 52.037 -0.138 0.000 0.769 93 A CB -0.247 18.724 19.000 -0.049 0.000 1.020 93 A HN 0.493 nan 8.150 nan 0.000 0.508 94 F N -2.059 117.954 119.950 0.105 0.000 2.877 94 F HA 0.717 5.244 4.527 -0.000 0.000 0.319 94 F C -0.468 175.463 175.800 0.220 0.000 1.174 94 F CA -1.127 56.940 58.000 0.112 0.000 0.903 94 F CB 0.669 39.705 39.000 0.060 0.000 1.357 94 F HN 0.718 nan 8.300 nan 0.000 0.472 95 S N 0.596 116.693 115.700 0.663 0.000 2.536 95 S HA 0.696 5.166 4.470 -0.000 0.000 0.287 95 S C -1.585 173.198 174.600 0.305 0.000 1.101 95 S CA -0.604 57.912 58.200 0.527 0.000 0.950 95 S CB 1.737 65.166 63.200 0.381 0.000 1.056 95 S HN 0.967 nan 8.310 nan 0.000 0.481 96 N N 0.568 119.446 118.700 0.296 0.000 2.640 96 N HA 0.557 5.297 4.740 -0.000 0.000 0.262 96 N C -1.465 174.086 175.510 0.068 0.000 1.174 96 N CA -0.169 52.938 53.050 0.094 0.000 0.791 96 N CB 1.143 39.652 38.487 0.037 0.000 1.279 96 N HN 0.974 nan 8.380 nan 0.000 0.535 97 c N 3.166 121.763 118.600 -0.004 0.000 2.998 97 c HA 0.258 4.828 4.570 -0.000 0.000 0.351 97 c C -1.155 172.879 174.090 -0.093 0.000 1.169 97 c CA -1.126 55.111 56.329 -0.154 0.000 1.116 97 c CB -0.430 41.843 42.510 -0.395 0.000 1.392 97 c HN 0.740 nan 8.230 nan 0.000 0.511 98 Y N 4.373 124.540 120.300 -0.223 0.000 2.896 98 Y HA -0.015 4.535 4.550 -0.000 0.000 0.387 98 Y C -1.323 174.639 175.900 0.104 0.000 1.183 98 Y CA 1.128 59.206 58.100 -0.036 0.000 1.595 98 Y CB 0.544 39.026 38.460 0.037 0.000 1.063 98 Y HN 0.571 nan 8.280 nan 0.000 0.544 99 P HA -0.017 nan 4.420 nan 0.000 0.266 99 P C -1.347 176.258 177.300 0.508 0.000 1.195 99 P CA 0.609 63.895 63.100 0.309 0.000 0.768 99 P CB 0.455 32.205 31.700 0.083 0.000 0.838 100 Y N -0.689 119.695 120.300 0.140 0.000 2.670 100 Y HA 0.624 5.174 4.550 -0.000 0.000 0.334 100 Y C -1.559 174.346 175.900 0.009 0.000 1.185 100 Y CA -1.233 56.921 58.100 0.090 0.000 1.053 100 Y CB 1.669 40.191 38.460 0.104 0.000 1.298 100 Y HN 0.362 nan 8.280 nan 0.000 0.459 101 D N 0.958 121.286 120.400 -0.122 0.000 2.936 101 D HA 0.379 5.019 4.640 -0.000 0.000 0.238 101 D C -1.808 174.410 176.300 -0.137 0.000 1.248 101 D CA -0.462 53.398 54.000 -0.233 0.000 0.903 101 D CB 2.524 43.219 40.800 -0.175 0.000 1.544 101 D HN 0.536 nan 8.370 nan 0.000 0.543 102 V N 3.465 123.317 119.914 -0.104 0.000 2.328 102 V HA 0.326 4.446 4.120 -0.000 0.000 0.278 102 V C -2.168 173.877 176.094 -0.081 0.000 1.021 102 V CA -1.466 60.798 62.300 -0.060 0.000 0.838 102 V CB 1.015 32.910 31.823 0.121 0.000 0.999 102 V HN 0.490 nan 8.190 nan 0.000 0.447 103 P HA 0.118 nan 4.420 nan 0.000 0.268 103 P C 0.135 177.426 177.300 -0.014 0.000 1.205 103 P CA 0.185 63.202 63.100 -0.138 0.000 0.771 103 P CB 0.266 31.833 31.700 -0.222 0.000 0.858 104 D N 1.666 122.090 120.400 0.041 0.000 2.803 104 D HA -0.270 4.370 4.640 -0.000 0.000 0.233 104 D C 0.113 176.517 176.300 0.174 0.000 1.182 104 D CA 0.532 54.602 54.000 0.116 0.000 0.726 104 D CB -1.192 39.702 40.800 0.157 0.000 0.987 104 D HN 0.466 nan 8.370 nan 0.000 0.412 105 Y N 0.893 121.175 120.300 -0.030 0.000 2.163 105 Y HA -0.034 4.515 4.550 -0.000 0.000 0.288 105 Y C 2.303 178.149 175.900 -0.090 0.000 1.136 105 Y CA 2.523 60.577 58.100 -0.076 0.000 1.147 105 Y CB -0.590 37.799 38.460 -0.117 0.000 0.987 105 Y HN 0.281 nan 8.280 nan 0.000 0.509 106 A N -0.332 122.597 122.820 0.181 0.000 1.929 106 A HA -0.325 3.995 4.320 -0.000 0.000 0.221 106 A C 2.393 179.939 177.584 -0.062 0.000 1.211 106 A CA 2.742 54.821 52.037 0.070 0.000 0.657 106 A CB -1.340 17.696 19.000 0.061 0.000 0.827 106 A HN 0.544 nan 8.150 nan 0.000 0.462 107 S N -1.240 114.425 115.700 -0.057 0.000 2.388 107 S HA 0.000 4.470 4.470 -0.000 0.000 0.223 107 S C 1.777 176.103 174.600 -0.457 0.000 1.034 107 S CA 0.958 59.069 58.200 -0.149 0.000 0.963 107 S CB -0.357 62.874 63.200 0.052 0.000 0.827 107 S HN 0.446 nan 8.310 nan 0.000 0.481 108 L N 2.199 123.049 121.223 -0.621 0.000 2.187 108 L HA -0.058 4.281 4.340 -0.000 0.000 0.213 108 L C 2.240 178.713 176.870 -0.662 0.000 1.100 108 L CA 1.526 55.816 54.840 -0.916 0.000 0.765 108 L CB -0.323 41.338 42.059 -0.663 0.000 0.904 108 L HN 0.190 nan 8.230 nan 0.000 0.437 109 R N -1.530 118.636 120.500 -0.556 0.000 2.055 109 R HA -0.095 4.245 4.340 -0.000 0.000 0.228 109 R C 2.326 178.422 176.300 -0.339 0.000 1.143 109 R CA 1.528 57.334 56.100 -0.490 0.000 0.945 109 R CB -0.665 29.366 30.300 -0.448 0.000 0.841 109 R HN 0.236 nan 8.270 nan 0.000 0.429 110 S N 0.171 115.717 115.700 -0.256 0.000 2.493 110 S HA -0.087 4.383 4.470 -0.000 0.000 0.243 110 S C 1.557 176.050 174.600 -0.178 0.000 0.991 110 S CA 1.379 59.476 58.200 -0.172 0.000 0.957 110 S CB -0.174 62.957 63.200 -0.115 0.000 0.756 110 S HN 0.435 nan 8.310 nan 0.000 0.521 111 L N -2.424 118.636 121.223 -0.272 0.000 2.388 111 L HA 0.354 4.694 4.340 -0.000 0.000 0.209 111 L C 1.918 178.647 176.870 -0.234 0.000 1.061 111 L CA 0.585 55.276 54.840 -0.249 0.000 0.834 111 L CB -0.752 41.100 42.059 -0.345 0.000 1.029 111 L HN -0.028 nan 8.230 nan 0.000 0.473 112 V N 1.194 120.928 119.914 -0.300 0.000 2.515 112 V HA -0.147 3.973 4.120 -0.000 0.000 0.250 112 V C 2.997 179.093 176.094 0.003 0.000 1.058 112 V CA 1.675 63.838 62.300 -0.228 0.000 1.064 112 V CB -1.085 30.531 31.823 -0.345 0.000 0.675 112 V HN 0.565 nan 8.190 nan 0.000 0.461 113 A N -0.550 122.265 122.820 -0.008 0.000 1.855 113 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 113 A C 2.528 180.223 177.584 0.185 0.000 1.191 113 A CA 1.984 54.142 52.037 0.201 0.000 0.613 113 A CB -0.829 18.173 19.000 0.003 0.000 0.829 113 A HN 0.450 nan 8.150 nan 0.000 0.442 114 S N -0.771 114.938 115.700 0.015 0.000 2.442 114 S HA -0.109 4.361 4.470 -0.000 0.000 0.236 114 S C 2.185 176.734 174.600 -0.085 0.000 1.007 114 S CA 1.656 59.844 58.200 -0.019 0.000 0.965 114 S CB -0.374 62.803 63.200 -0.039 0.000 0.773 114 S HN 0.578 nan 8.310 nan 0.000 0.504 115 S N 0.094 115.717 115.700 -0.128 0.000 2.414 115 S HA 0.195 4.665 4.470 -0.000 0.000 0.227 115 S C 1.251 175.606 174.600 -0.409 0.000 1.022 115 S CA 1.129 59.210 58.200 -0.199 0.000 0.958 115 S CB -0.799 62.300 63.200 -0.168 0.000 0.797 115 S HN 1.094 nan 8.310 nan 0.000 0.493 116 G N 0.988 109.383 108.800 -0.674 0.000 2.350 116 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.298 116 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.298 116 G C 0.077 173.892 174.900 -1.809 0.000 1.037 116 G CA 0.695 44.609 45.100 -1.976 0.000 1.074 116 G HN 0.970 nan 8.290 nan 0.000 0.511 117 T N -0.959 112.837 114.554 -1.264 0.000 4.045 117 T HA 0.372 4.721 4.350 -0.000 0.000 0.399 117 T C 0.399 175.097 174.700 -0.002 0.000 1.270 117 T CA -0.419 61.430 62.100 -0.419 0.000 1.126 117 T CB 0.253 68.973 68.868 -0.248 0.000 1.272 117 T HN 0.630 nan 8.240 nan 0.000 0.472 118 L N 2.922 124.294 121.223 0.248 0.000 2.818 118 L HA 0.426 4.765 4.340 -0.000 0.000 0.243 118 L C 1.110 178.238 176.870 0.430 0.000 1.185 118 L CA -0.368 54.714 54.840 0.404 0.000 0.988 118 L CB 0.096 42.388 42.059 0.388 0.000 1.292 118 L HN 0.675 nan 8.230 nan 0.000 0.519 119 E N 1.789 122.158 120.200 0.282 0.000 2.493 119 E HA -0.078 4.271 4.350 -0.000 0.000 0.255 119 E C -1.200 175.535 176.600 0.225 0.000 0.999 119 E CA -0.018 56.501 56.400 0.197 0.000 0.934 119 E CB 0.415 30.181 29.700 0.110 0.000 0.940 119 E HN 0.047 nan 8.360 nan 0.000 0.473 120 F N 6.774 126.645 119.950 -0.131 0.000 2.426 120 F HA 0.327 4.854 4.527 -0.000 0.000 0.348 120 F C -0.594 175.006 175.800 -0.334 0.000 1.124 120 F CA -1.336 56.425 58.000 -0.399 0.000 1.008 120 F CB 0.628 39.279 39.000 -0.581 0.000 1.139 120 F HN 0.303 nan 8.300 nan 0.000 0.452 121 I N 4.703 124.748 120.570 -0.874 0.000 2.472 121 I HA 0.176 4.346 4.170 -0.000 0.000 0.290 121 I C 0.634 175.976 176.117 -1.290 0.000 1.016 121 I CA -0.170 60.572 61.300 -0.929 0.000 1.348 121 I CB 1.244 38.479 38.000 -1.274 0.000 1.417 121 I HN 0.551 nan 8.210 nan 0.000 0.521 122 T N 4.424 118.518 114.554 -0.765 0.000 3.255 122 T HA 0.140 4.490 4.350 -0.000 0.000 0.243 122 T C 0.476 175.020 174.700 -0.260 0.000 1.057 122 T CA -0.682 61.062 62.100 -0.592 0.000 1.121 122 T CB -0.653 68.046 68.868 -0.281 0.000 1.104 122 T HN 0.622 nan 8.240 nan 0.000 0.571 123 E N 0.738 120.789 120.200 -0.249 0.000 2.467 123 E HA 0.262 4.612 4.350 -0.000 0.000 0.264 123 E C 0.313 176.941 176.600 0.046 0.000 1.020 123 E CA -0.498 55.853 56.400 -0.082 0.000 0.945 123 E CB 0.395 30.069 29.700 -0.042 0.000 0.942 123 E HN 0.337 nan 8.360 nan 0.000 0.449 124 G N 2.409 111.197 108.800 -0.021 0.000 2.368 124 G HA2 0.456 4.416 3.960 -0.000 0.000 0.320 124 G HA3 0.456 4.416 3.960 -0.000 0.000 0.320 124 G C -1.089 173.770 174.900 -0.068 0.000 1.158 124 G CA -0.709 44.431 45.100 0.068 0.000 0.912 124 G HN 0.342 nan 8.290 nan 0.000 0.456 125 F N 0.317 120.200 119.950 -0.112 0.000 2.380 125 F HA 0.483 5.009 4.527 -0.000 0.000 0.321 125 F C 1.077 176.558 175.800 -0.531 0.000 1.103 125 F CA -0.595 57.153 58.000 -0.420 0.000 1.067 125 F CB 1.840 40.386 39.000 -0.756 0.000 1.265 125 F HN 0.217 nan 8.300 nan 0.000 0.517 126 T N 0.997 115.271 114.554 -0.466 0.000 2.929 126 T HA 0.149 4.499 4.350 -0.000 0.000 0.331 126 T C -0.697 173.737 174.700 -0.444 0.000 1.120 126 T CA -0.297 61.606 62.100 -0.327 0.000 0.973 126 T CB -0.344 68.393 68.868 -0.219 0.000 1.036 126 T HN 0.446 nan 8.240 nan 0.000 0.502 127 W N 2.453 123.800 121.300 0.079 0.000 1.919 127 W HA 0.262 4.922 4.660 -0.000 0.000 0.347 127 W C 1.088 177.600 176.519 -0.011 0.000 0.698 127 W CA -0.930 56.434 57.345 0.032 0.000 2.240 127 W CB 0.107 29.581 29.460 0.023 0.000 2.021 127 W HN 0.444 nan 8.180 nan 0.000 0.527 128 T N 0.604 115.214 114.554 0.093 0.000 2.793 128 T HA 0.341 4.691 4.350 -0.000 0.000 0.289 128 T C 1.177 175.898 174.700 0.036 0.000 0.956 128 T CA 1.507 63.635 62.100 0.046 0.000 1.177 128 T CB 0.123 68.994 68.868 0.005 0.000 0.897 128 T HN 0.827 nan 8.240 nan 0.000 0.533 129 G N 3.013 111.821 108.800 0.013 0.000 2.141 129 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.195 129 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.195 129 G C -0.063 174.787 174.900 -0.084 0.000 1.012 129 G CA -0.116 44.971 45.100 -0.021 0.000 0.696 129 G HN 1.739 nan 8.290 nan 0.000 0.508 130 V N -4.216 115.645 119.914 -0.089 0.000 3.204 130 V HA 0.820 4.940 4.120 -0.000 0.000 0.298 130 V C 0.064 176.095 176.094 -0.104 0.000 1.328 130 V CA -0.617 61.569 62.300 -0.190 0.000 1.035 130 V CB 1.521 33.133 31.823 -0.353 0.000 1.095 130 V HN 0.430 nan 8.190 nan 0.000 0.442 131 T N 2.966 117.442 114.554 -0.131 0.000 2.739 131 T HA 0.310 4.660 4.350 -0.000 0.000 0.298 131 T C 0.271 174.909 174.700 -0.104 0.000 0.929 131 T CA 0.011 62.047 62.100 -0.106 0.000 1.014 131 T CB 0.271 69.056 68.868 -0.140 0.000 0.914 131 T HN 0.738 nan 8.240 nan 0.000 0.509 132 Q N 2.294 122.073 119.800 -0.034 0.000 2.870 132 Q HA 0.046 4.386 4.340 -0.000 0.000 0.193 132 Q C 0.249 176.230 176.000 -0.031 0.000 1.148 132 Q CA -0.397 55.406 55.803 -0.001 0.000 1.212 132 Q CB 0.074 28.868 28.738 0.094 0.000 1.290 132 Q HN 0.600 nan 8.270 nan 0.000 0.686 133 N N 0.176 118.894 118.700 0.031 0.000 2.767 133 N HA -0.190 4.550 4.740 -0.000 0.000 0.304 133 N C -0.251 175.231 175.510 -0.046 0.000 1.141 133 N CA 0.663 53.742 53.050 0.047 0.000 0.772 133 N CB -0.816 37.714 38.487 0.072 0.000 0.993 133 N HN 0.652 nan 8.380 nan 0.000 0.579 134 G N 0.125 108.867 108.800 -0.097 0.000 2.570 134 G HA2 0.648 4.608 3.960 -0.000 0.000 0.276 134 G HA3 0.648 4.608 3.960 -0.000 0.000 0.276 134 G C 0.328 175.125 174.900 -0.172 0.000 1.346 134 G CA -0.063 44.844 45.100 -0.321 0.000 1.034 134 G HN 0.714 nan 8.290 nan 0.000 0.512 135 G N -1.797 106.893 108.800 -0.183 0.000 2.617 135 G HA2 0.515 4.475 3.960 -0.000 0.000 0.305 135 G HA3 0.515 4.475 3.960 -0.000 0.000 0.305 135 G C -1.127 173.852 174.900 0.132 0.000 1.436 135 G CA 0.439 45.563 45.100 0.040 0.000 1.036 135 G HN 1.060 nan 8.290 nan 0.000 0.589 136 S N 0.434 116.309 115.700 0.292 0.000 2.526 136 S HA 0.469 4.939 4.470 -0.000 0.000 0.293 136 S C 0.672 175.358 174.600 0.144 0.000 1.092 136 S CA -0.733 57.641 58.200 0.289 0.000 0.980 136 S CB 1.475 64.967 63.200 0.487 0.000 1.048 136 S HN 0.436 nan 8.310 nan 0.000 0.483 137 N N 2.279 121.019 118.700 0.068 0.000 2.571 137 N HA 0.197 4.937 4.740 -0.000 0.000 0.189 137 N C 0.940 176.446 175.510 -0.007 0.000 1.154 137 N CA 0.742 53.807 53.050 0.025 0.000 0.907 137 N CB 0.173 38.663 38.487 0.005 0.000 0.977 137 N HN 0.610 nan 8.380 nan 0.000 0.449 138 A N -1.363 121.444 122.820 -0.022 0.000 2.343 138 A HA 0.220 4.539 4.320 -0.000 0.000 0.223 138 A C 0.785 178.346 177.584 -0.038 0.000 1.214 138 A CA -0.125 51.867 52.037 -0.075 0.000 0.900 138 A CB 0.127 19.011 19.000 -0.194 0.000 0.942 138 A HN 0.361 nan 8.150 nan 0.000 0.507 139 c N 2.510 121.125 118.600 0.025 0.000 3.114 139 c HA 0.477 5.047 4.570 -0.000 0.000 0.215 139 c C -0.246 173.876 174.090 0.054 0.000 1.759 139 c CA -1.121 55.211 56.329 0.005 0.000 1.455 139 c CB -1.726 40.767 42.510 -0.029 0.000 2.528 139 c HN 0.433 nan 8.230 nan 0.000 0.511 140 K N 1.066 121.494 120.400 0.045 0.000 2.355 140 K HA 0.233 4.552 4.320 -0.000 0.000 0.270 140 K C -0.102 176.535 176.600 0.061 0.000 1.003 140 K CA 0.185 56.505 56.287 0.056 0.000 0.957 140 K CB 0.278 32.801 32.500 0.039 0.000 0.939 140 K HN 0.439 nan 8.250 nan 0.000 0.482 141 R N 1.352 121.892 120.500 0.067 0.000 2.664 141 R HA 0.303 4.643 4.340 -0.000 0.000 0.281 141 R C 0.203 176.539 176.300 0.059 0.000 1.383 141 R CA 0.563 56.705 56.100 0.069 0.000 1.563 141 R CB -0.157 30.191 30.300 0.079 0.000 1.131 141 R HN 0.990 nan 8.270 nan 0.000 0.599 142 G N 2.955 111.788 108.800 0.055 0.000 3.127 142 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.280 142 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.280 142 G C -0.916 174.006 174.900 0.037 0.000 1.491 142 G CA 0.005 45.133 45.100 0.046 0.000 1.029 142 G HN 0.522 nan 8.290 nan 0.000 0.582 143 P HA 0.272 nan 4.420 nan 0.000 0.214 143 P C 1.198 178.514 177.300 0.026 0.000 1.162 143 P CA 2.524 65.641 63.100 0.027 0.000 0.871 143 P CB -0.330 31.384 31.700 0.025 0.000 0.783 144 G N -0.187 108.631 108.800 0.030 0.000 3.209 144 G HA2 0.445 4.405 3.960 -0.000 0.000 0.236 144 G HA3 0.445 4.405 3.960 -0.000 0.000 0.236 144 G C -0.632 174.292 174.900 0.039 0.000 1.329 144 G CA -0.011 45.106 45.100 0.029 0.000 1.015 144 G HN 0.310 nan 8.290 nan 0.000 0.571 145 S N -1.585 114.138 115.700 0.039 0.000 2.549 145 S HA 0.499 4.969 4.470 -0.000 0.000 0.278 145 S C 0.496 175.145 174.600 0.082 0.000 1.344 145 S CA 0.551 58.786 58.200 0.058 0.000 1.025 145 S CB 0.811 64.037 63.200 0.044 0.000 0.851 145 S HN 1.978 nan 8.310 nan 0.000 0.530 146 G N 0.114 108.990 108.800 0.127 0.000 2.489 146 G HA2 0.587 4.546 3.960 -0.000 0.000 0.305 146 G HA3 0.587 4.546 3.960 -0.000 0.000 0.305 146 G C -1.496 173.581 174.900 0.295 0.000 1.311 146 G CA -0.542 44.658 45.100 0.167 0.000 0.813 146 G HN 0.727 nan 8.290 nan 0.000 0.480 147 F N -1.374 118.605 119.950 0.050 0.000 3.610 147 F HA 0.788 5.315 4.527 -0.000 0.000 0.325 147 F C -1.276 174.478 175.800 -0.077 0.000 1.280 147 F CA -2.084 55.922 58.000 0.010 0.000 0.963 147 F CB 0.543 39.643 39.000 0.167 0.000 1.642 147 F HN 0.359 nan 8.300 nan 0.000 0.513 148 F N 1.851 121.499 119.950 -0.503 0.000 2.411 148 F HA 0.220 4.747 4.527 -0.000 0.000 0.350 148 F C 1.528 177.241 175.800 -0.144 0.000 1.114 148 F CA 0.258 57.990 58.000 -0.446 0.000 1.135 148 F CB 1.616 40.153 39.000 -0.771 0.000 1.120 148 F HN 0.439 nan 8.300 nan 0.000 0.495 149 S N 2.520 118.290 115.700 0.118 0.000 2.365 149 S HA -0.224 4.246 4.470 -0.000 0.000 0.225 149 S C 1.617 176.267 174.600 0.082 0.000 1.039 149 S CA 1.005 59.267 58.200 0.102 0.000 1.033 149 S CB -0.211 63.032 63.200 0.072 0.000 0.887 149 S HN 0.558 nan 8.310 nan 0.000 0.447 150 R N 1.437 121.924 120.500 -0.021 0.000 2.363 150 R HA 0.482 4.822 4.340 -0.000 0.000 0.236 150 R C -0.227 176.096 176.300 0.039 0.000 0.966 150 R CA -0.059 55.970 56.100 -0.118 0.000 1.100 150 R CB -1.012 29.028 30.300 -0.433 0.000 1.125 150 R HN 0.468 nan 8.270 nan 0.000 0.514 151 L N 0.397 121.691 121.223 0.118 0.000 2.401 151 L HA 0.418 4.757 4.340 -0.000 0.000 0.266 151 L C -0.505 176.595 176.870 0.384 0.000 0.991 151 L CA -0.992 53.964 54.840 0.192 0.000 0.818 151 L CB 2.305 44.387 42.059 0.038 0.000 1.321 151 L HN -0.134 nan 8.230 nan 0.000 0.413 152 N N 1.381 120.258 118.700 0.295 0.000 2.417 152 N HA 0.250 4.989 4.740 -0.000 0.000 0.274 152 N C -1.537 174.101 175.510 0.213 0.000 0.987 152 N CA -0.378 52.813 53.050 0.236 0.000 0.912 152 N CB 1.727 40.245 38.487 0.052 0.000 1.177 152 N HN 0.412 nan 8.380 nan 0.000 0.490 153 W N 7.014 128.274 121.300 -0.068 0.000 2.311 153 W HA 0.417 5.077 4.660 -0.001 0.000 0.317 153 W C -1.158 175.248 176.519 -0.188 0.000 1.065 153 W CA -1.022 56.190 57.345 -0.223 0.000 1.364 153 W CB -0.035 29.031 29.460 -0.658 0.000 1.233 153 W HN 0.341 nan 8.180 nan 0.000 0.409 154 L N 7.090 128.477 121.223 0.273 0.000 2.307 154 L HA 0.542 4.882 4.340 -0.000 0.000 0.282 154 L C 0.830 177.815 176.870 0.193 0.000 1.051 154 L CA -0.437 54.432 54.840 0.049 0.000 0.804 154 L CB 1.201 43.189 42.059 -0.117 0.000 1.197 154 L HN 0.396 nan 8.230 nan 0.000 0.431 155 T N -1.088 113.446 114.554 -0.032 0.000 2.865 155 T HA 0.374 4.724 4.350 -0.000 0.000 0.294 155 T C -0.350 174.323 174.700 -0.044 0.000 1.119 155 T CA -1.179 60.935 62.100 0.023 0.000 1.007 155 T CB 1.952 70.649 68.868 -0.286 0.000 1.225 155 T HN 0.556 nan 8.240 nan 0.000 0.515 156 K N 1.112 121.545 120.400 0.055 0.000 2.604 156 K HA -0.094 4.225 4.320 -0.000 0.000 0.277 156 K C 1.235 177.788 176.600 -0.078 0.000 0.966 156 K CA 1.035 57.331 56.287 0.015 0.000 0.991 156 K CB -0.341 32.178 32.500 0.031 0.000 0.865 156 K HN 0.902 nan 8.250 nan 0.000 0.511 157 S N 1.050 116.711 115.700 -0.065 0.000 2.362 157 S HA 0.033 4.503 4.470 -0.000 0.000 0.221 157 S C 1.491 176.064 174.600 -0.045 0.000 1.032 157 S CA 0.920 59.083 58.200 -0.062 0.000 0.973 157 S CB -0.164 63.010 63.200 -0.043 0.000 0.849 157 S HN 0.949 nan 8.310 nan 0.000 0.465 158 G N -0.522 108.259 108.800 -0.031 0.000 4.120 158 G HA2 0.204 4.163 3.960 -0.000 0.000 0.209 158 G HA3 0.204 4.163 3.960 -0.000 0.000 0.209 158 G C 0.794 175.682 174.900 -0.019 0.000 1.430 158 G CA 0.569 45.652 45.100 -0.028 0.000 0.975 158 G HN 0.621 nan 8.290 nan 0.000 0.525 159 S N 0.103 115.800 115.700 -0.005 0.000 2.960 159 S HA 0.507 4.977 4.470 -0.000 0.000 0.256 159 S C -0.039 174.576 174.600 0.025 0.000 1.017 159 S CA 1.105 59.308 58.200 0.005 0.000 1.144 159 S CB 0.513 63.715 63.200 0.004 0.000 1.109 159 S HN 0.774 nan 8.310 nan 0.000 0.638 160 T N -0.131 114.445 114.554 0.037 0.000 2.718 160 T HA 0.488 4.837 4.350 -0.000 0.000 0.306 160 T C -2.623 172.154 174.700 0.127 0.000 1.485 160 T CA -0.381 61.767 62.100 0.080 0.000 0.997 160 T CB 1.425 70.332 68.868 0.064 0.000 1.504 160 T HN 0.200 nan 8.240 nan 0.000 0.497 161 Y N 3.088 123.411 120.300 0.039 0.000 2.373 161 Y HA 0.495 5.045 4.550 -0.000 0.000 0.327 161 Y C -2.452 173.482 175.900 0.056 0.000 1.036 161 Y CA -1.886 56.251 58.100 0.061 0.000 1.265 161 Y CB 1.890 40.407 38.460 0.095 0.000 1.108 161 Y HN 0.442 nan 8.280 nan 0.000 0.471 162 P HA 0.125 nan 4.420 nan 0.000 0.277 162 P C -0.717 176.726 177.300 0.239 0.000 1.271 162 P CA -0.242 62.953 63.100 0.159 0.000 0.795 162 P CB 1.906 33.650 31.700 0.073 0.000 1.101 163 V N 1.625 121.636 119.914 0.162 0.000 2.488 163 V HA 0.035 4.155 4.120 -0.000 0.000 0.277 163 V C 0.605 176.786 176.094 0.144 0.000 1.046 163 V CA -0.051 62.342 62.300 0.154 0.000 0.986 163 V CB 0.230 32.108 31.823 0.091 0.000 0.989 163 V HN 0.311 nan 8.190 nan 0.000 0.475 164 L N 5.311 126.646 121.223 0.186 0.000 2.312 164 L HA 0.445 4.784 4.340 -0.000 0.000 0.281 164 L C 0.164 177.118 176.870 0.140 0.000 1.070 164 L CA 0.335 55.295 54.840 0.200 0.000 0.805 164 L CB 0.898 43.152 42.059 0.325 0.000 1.174 164 L HN 0.684 nan 8.230 nan 0.000 0.434 165 N N 2.007 120.766 118.700 0.099 0.000 2.653 165 N HA 0.452 5.191 4.740 -0.000 0.000 0.261 165 N C -1.546 173.966 175.510 0.003 0.000 1.216 165 N CA -0.413 52.663 53.050 0.044 0.000 0.784 165 N CB 1.084 39.582 38.487 0.019 0.000 1.327 165 N HN 0.293 nan 8.380 nan 0.000 0.539 166 V N 0.110 120.027 119.914 0.006 0.000 2.459 166 V HA 0.787 4.906 4.120 -0.000 0.000 0.295 166 V C 0.117 176.180 176.094 -0.052 0.000 1.029 166 V CA -0.547 61.710 62.300 -0.072 0.000 0.874 166 V CB 1.325 33.054 31.823 -0.158 0.000 0.985 166 V HN 0.426 nan 8.190 nan 0.000 0.438 167 T N 5.451 119.943 114.554 -0.104 0.000 2.823 167 T HA 0.722 5.072 4.350 -0.000 0.000 0.279 167 T C -0.649 173.946 174.700 -0.175 0.000 0.998 167 T CA -0.490 61.546 62.100 -0.108 0.000 0.994 167 T CB 1.225 70.037 68.868 -0.093 0.000 0.960 167 T HN 0.998 nan 8.240 nan 0.000 0.448 168 M N 8.354 127.849 119.600 -0.175 0.000 1.988 168 M HA 0.431 4.911 4.480 -0.000 0.000 0.243 168 M C -2.649 173.573 176.300 -0.130 0.000 0.897 168 M CA -2.372 52.786 55.300 -0.237 0.000 0.935 168 M CB 1.478 33.842 32.600 -0.393 0.000 1.956 168 M HN 0.337 nan 8.290 nan 0.000 0.389 169 P HA 0.180 nan 4.420 nan 0.000 0.271 169 P C -1.037 176.223 177.300 -0.066 0.000 1.244 169 P CA -0.081 62.973 63.100 -0.076 0.000 0.793 169 P CB 0.621 32.275 31.700 -0.077 0.000 0.984 170 N N 0.839 119.489 118.700 -0.083 0.000 2.491 170 N HA 0.157 4.896 4.740 -0.000 0.000 0.274 170 N C 0.065 175.480 175.510 -0.158 0.000 1.023 170 N CA -0.467 52.492 53.050 -0.151 0.000 0.902 170 N CB 0.142 38.519 38.487 -0.184 0.000 1.267 170 N HN 0.127 nan 8.380 nan 0.000 0.503 171 N N 1.803 120.409 118.700 -0.157 0.000 2.322 171 N HA 0.050 4.790 4.740 -0.000 0.000 0.181 171 N C -0.750 174.676 175.510 -0.141 0.000 1.088 171 N CA 0.117 53.097 53.050 -0.118 0.000 0.885 171 N CB 0.243 38.689 38.487 -0.070 0.000 1.013 171 N HN 0.638 nan 8.380 nan 0.000 0.472 172 D N 1.146 121.392 120.400 -0.257 0.000 2.361 172 D HA -0.011 4.629 4.640 -0.000 0.000 0.239 172 D C 1.290 177.435 176.300 -0.258 0.000 1.200 172 D CA 0.002 53.839 54.000 -0.271 0.000 0.915 172 D CB 0.473 40.847 40.800 -0.710 0.000 1.170 172 D HN 0.182 nan 8.370 nan 0.000 0.444 173 N N 0.925 119.634 118.700 0.016 0.000 2.370 173 N HA -0.003 4.736 4.740 -0.000 0.000 0.198 173 N C -0.672 174.945 175.510 0.178 0.000 1.156 173 N CA -0.141 52.964 53.050 0.091 0.000 0.839 173 N CB -0.302 38.277 38.487 0.152 0.000 0.989 173 N HN 0.424 nan 8.380 nan 0.000 0.468 174 F N -1.241 118.685 119.950 -0.041 0.000 2.593 174 F HA 0.586 5.112 4.527 -0.000 0.000 0.320 174 F C -0.504 175.256 175.800 -0.066 0.000 1.060 174 F CA -1.648 56.329 58.000 -0.038 0.000 0.940 174 F CB 0.559 39.547 39.000 -0.021 0.000 1.268 174 F HN -0.359 nan 8.300 nan 0.000 0.475 175 D N 1.942 122.400 120.400 0.096 0.000 2.455 175 D HA 0.175 4.815 4.640 -0.000 0.000 0.241 175 D C -0.530 175.759 176.300 -0.019 0.000 1.138 175 D CA 0.138 54.145 54.000 0.011 0.000 0.877 175 D CB 0.819 41.662 40.800 0.072 0.000 1.187 175 D HN 0.439 nan 8.370 nan 0.000 0.451 176 K N 1.627 121.942 120.400 -0.141 0.000 2.221 176 K HA 0.467 4.787 4.320 -0.000 0.000 0.258 176 K C -0.762 175.815 176.600 -0.039 0.000 0.944 176 K CA -1.137 55.011 56.287 -0.230 0.000 0.823 176 K CB 2.221 34.330 32.500 -0.652 0.000 1.113 176 K HN 0.197 nan 8.250 nan 0.000 0.431 177 L N 3.602 124.860 121.223 0.059 0.000 2.295 177 L HA 0.331 4.670 4.340 -0.000 0.000 0.281 177 L C -1.550 175.444 176.870 0.205 0.000 1.018 177 L CA -0.382 54.556 54.840 0.164 0.000 0.841 177 L CB 0.192 42.340 42.059 0.148 0.000 1.218 177 L HN 0.424 nan 8.230 nan 0.000 0.424 178 Y N 5.747 126.346 120.300 0.498 0.000 2.327 178 Y HA 0.491 5.041 4.550 -0.000 0.000 0.336 178 Y C 0.079 176.318 175.900 0.566 0.000 1.035 178 Y CA -0.672 57.778 58.100 0.582 0.000 1.165 178 Y CB 1.138 39.933 38.460 0.557 0.000 1.181 178 Y HN 0.324 nan 8.280 nan 0.000 0.494 179 I N 5.131 126.078 120.570 0.629 0.000 2.359 179 I HA 0.169 4.338 4.170 -0.000 0.000 0.284 179 I C -0.437 175.906 176.117 0.377 0.000 1.018 179 I CA -1.006 60.500 61.300 0.343 0.000 1.173 179 I CB -0.242 37.849 38.000 0.152 0.000 1.326 179 I HN 0.771 nan 8.210 nan 0.000 0.462 180 W N 5.335 126.752 121.300 0.195 0.000 3.810 180 W HA 0.897 5.557 4.660 -0.000 0.000 0.395 180 W C -0.371 176.207 176.519 0.098 0.000 1.216 180 W CA -1.097 56.318 57.345 0.116 0.000 0.895 180 W CB 0.922 30.451 29.460 0.115 0.000 2.031 180 W HN 0.592 nan 8.180 nan 0.000 0.639 181 G N 0.016 109.098 108.800 0.471 0.000 2.320 181 G HA2 0.418 4.377 3.960 -0.000 0.000 0.296 181 G HA3 0.418 4.377 3.960 -0.000 0.000 0.296 181 G C -2.495 172.601 174.900 0.327 0.000 1.306 181 G CA -0.895 44.362 45.100 0.261 0.000 0.836 181 G HN 0.785 nan 8.290 nan 0.000 0.517 182 I N -0.475 120.201 120.570 0.178 0.000 2.892 182 I HA 0.610 4.780 4.170 -0.000 0.000 0.306 182 I C -0.917 175.128 176.117 -0.119 0.000 1.078 182 I CA -1.144 60.166 61.300 0.017 0.000 1.032 182 I CB 2.369 40.358 38.000 -0.019 0.000 1.229 182 I HN 0.724 nan 8.210 nan 0.000 0.435 183 H N 5.451 124.351 119.070 -0.284 0.000 2.457 183 H HA 0.401 4.957 4.556 -0.000 0.000 0.335 183 H C -1.353 173.841 175.328 -0.223 0.000 1.115 183 H CA -0.393 55.513 56.048 -0.238 0.000 1.219 183 H CB 1.075 30.721 29.762 -0.194 0.000 1.471 183 H HN 0.564 nan 8.280 nan 0.000 0.491 184 H N 6.167 124.786 119.070 -0.752 0.000 2.673 184 H HA 0.228 4.784 4.556 -0.000 0.000 0.293 184 H C -2.319 172.893 175.328 -0.194 0.000 1.065 184 H CA -1.647 54.221 56.048 -0.300 0.000 1.236 184 H CB 1.349 31.015 29.762 -0.160 0.000 1.389 184 H HN 0.454 nan 8.280 nan 0.000 0.481 185 P HA -0.015 nan 4.420 nan 0.000 0.274 185 P C 0.935 178.383 177.300 0.247 0.000 1.256 185 P CA -0.169 63.192 63.100 0.435 0.000 0.795 185 P CB 1.012 32.972 31.700 0.433 0.000 1.038 186 S N -1.662 114.169 115.700 0.219 0.000 2.404 186 S HA 0.039 4.508 4.470 -0.000 0.000 0.223 186 S C 0.693 175.372 174.600 0.131 0.000 1.040 186 S CA 0.718 59.010 58.200 0.153 0.000 0.957 186 S CB -1.071 62.213 63.200 0.140 0.000 0.826 186 S HN 0.619 nan 8.310 nan 0.000 0.491 187 T N -0.175 114.456 114.554 0.129 0.000 2.863 187 T HA 0.464 4.813 4.350 -0.000 0.000 0.285 187 T C 0.341 175.100 174.700 0.098 0.000 1.009 187 T CA -0.922 61.239 62.100 0.101 0.000 0.989 187 T CB 1.310 70.230 68.868 0.086 0.000 1.004 187 T HN 0.096 nan 8.240 nan 0.000 0.455 188 N N 1.292 120.041 118.700 0.081 0.000 2.322 188 N HA -0.196 4.544 4.740 -0.000 0.000 0.189 188 N C 1.850 177.399 175.510 0.066 0.000 1.012 188 N CA 1.414 54.508 53.050 0.074 0.000 0.880 188 N CB 0.028 38.549 38.487 0.057 0.000 0.967 188 N HN 0.750 nan 8.380 nan 0.000 0.439 189 Q N 0.752 120.588 119.800 0.060 0.000 2.302 189 Q HA -0.025 4.315 4.340 -0.000 0.000 0.202 189 Q C 1.556 177.580 176.000 0.040 0.000 0.936 189 Q CA 0.614 56.443 55.803 0.043 0.000 0.886 189 Q CB -0.397 28.363 28.738 0.036 0.000 0.986 189 Q HN 0.418 nan 8.270 nan 0.000 0.487 190 E N 1.385 121.624 120.200 0.066 0.000 2.160 190 E HA -0.278 4.072 4.350 -0.000 0.000 0.195 190 E C 2.084 178.704 176.600 0.034 0.000 0.991 190 E CA 1.460 57.898 56.400 0.064 0.000 0.810 190 E CB 0.163 29.942 29.700 0.131 0.000 0.742 190 E HN 0.397 nan 8.360 nan 0.000 0.466 191 Q N 0.088 119.941 119.800 0.088 0.000 1.965 191 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 191 Q C 2.009 178.007 176.000 -0.003 0.000 0.981 191 Q CA 2.929 58.800 55.803 0.114 0.000 0.834 191 Q CB -0.577 28.266 28.738 0.175 0.000 0.900 191 Q HN 0.243 nan 8.270 nan 0.000 0.426 192 T N 0.376 114.943 114.554 0.022 0.000 2.594 192 T HA -0.278 4.072 4.350 -0.000 0.000 0.266 192 T C 2.025 176.698 174.700 -0.045 0.000 1.070 192 T CA 1.883 63.985 62.100 0.004 0.000 1.166 192 T CB -0.873 68.003 68.868 0.013 0.000 0.862 192 T HN 0.353 nan 8.240 nan 0.000 0.436 193 S N 1.501 117.164 115.700 -0.062 0.000 2.372 193 S HA -0.108 4.362 4.470 -0.000 0.000 0.227 193 S C 2.041 176.531 174.600 -0.184 0.000 1.044 193 S CA 1.403 59.544 58.200 -0.097 0.000 1.050 193 S CB -0.518 62.633 63.200 -0.083 0.000 0.901 193 S HN 0.380 nan 8.310 nan 0.000 0.447 194 L N -1.514 119.502 121.223 -0.346 0.000 2.200 194 L HA 0.127 4.466 4.340 -0.000 0.000 0.200 194 L C 1.466 177.996 176.870 -0.566 0.000 1.072 194 L CA 0.912 55.362 54.840 -0.650 0.000 0.787 194 L CB -0.236 41.044 42.059 -1.300 0.000 0.957 194 L HN 0.323 nan 8.230 nan 0.000 0.459 195 Y N -1.835 118.491 120.300 0.043 0.000 2.507 195 Y HA 0.293 4.843 4.550 -0.000 0.000 0.254 195 Y C 1.365 177.245 175.900 -0.034 0.000 1.171 195 Y CA -0.482 57.601 58.100 -0.029 0.000 1.238 195 Y CB 0.355 38.666 38.460 -0.248 0.000 1.148 195 Y HN -0.169 nan 8.280 nan 0.000 0.525 196 V N -1.886 118.070 119.914 0.070 0.000 0.654 196 V HA -0.502 3.618 4.120 -0.000 0.000 0.092 196 V C 0.773 176.897 176.094 0.050 0.000 1.273 196 V CA 1.676 64.017 62.300 0.068 0.000 3.214 196 V CB -1.391 30.505 31.823 0.121 0.000 0.444 196 V HN 0.371 nan 8.190 nan 0.000 0.438 197 Q N 0.176 120.000 119.800 0.039 0.000 2.354 197 Q HA 0.433 4.773 4.340 -0.000 0.000 0.310 197 Q C 0.883 176.900 176.000 0.028 0.000 1.104 197 Q CA 1.021 56.835 55.803 0.018 0.000 0.968 197 Q CB 0.182 28.908 28.738 -0.021 0.000 1.251 197 Q HN 0.863 nan 8.270 nan 0.000 0.411 198 A N 1.126 123.961 122.820 0.026 0.000 2.251 198 A HA 0.228 4.548 4.320 -0.000 0.000 0.209 198 A C -0.261 177.344 177.584 0.035 0.000 1.187 198 A CA 0.523 52.582 52.037 0.036 0.000 0.823 198 A CB 0.112 19.131 19.000 0.031 0.000 0.846 198 A HN 0.553 nan 8.150 nan 0.000 0.486 199 S N -0.808 114.900 115.700 0.013 0.000 2.609 199 S HA 0.561 5.031 4.470 -0.000 0.000 0.250 199 S C 0.247 174.821 174.600 -0.043 0.000 1.112 199 S CA -0.277 57.922 58.200 -0.002 0.000 1.102 199 S CB 0.512 63.713 63.200 0.001 0.000 1.124 199 S HN 0.668 nan 8.310 nan 0.000 0.460 200 G N 1.353 110.108 108.800 -0.074 0.000 2.647 200 G HA2 0.547 4.506 3.960 -0.000 0.000 0.271 200 G HA3 0.547 4.506 3.960 -0.000 0.000 0.271 200 G C -0.195 174.630 174.900 -0.124 0.000 1.300 200 G CA -0.685 44.322 45.100 -0.156 0.000 0.997 200 G HN 0.967 nan 8.290 nan 0.000 0.533 201 R N -1.802 118.610 120.500 -0.147 0.000 3.170 201 R HA 0.368 4.707 4.340 -0.000 0.000 0.257 201 R C -2.165 174.067 176.300 -0.113 0.000 1.139 201 R CA -0.447 55.589 56.100 -0.106 0.000 1.158 201 R CB 1.184 31.438 30.300 -0.076 0.000 1.269 201 R HN 0.473 nan 8.270 nan 0.000 0.459 202 V N 3.142 122.990 119.914 -0.110 0.000 2.604 202 V HA 0.653 4.772 4.120 -0.000 0.000 0.305 202 V C -0.590 175.407 176.094 -0.162 0.000 1.043 202 V CA -0.485 61.737 62.300 -0.130 0.000 0.888 202 V CB 2.332 34.095 31.823 -0.100 0.000 0.995 202 V HN 0.832 nan 8.190 nan 0.000 0.429 203 T N 3.749 118.179 114.554 -0.207 0.000 2.937 203 T HA 0.569 4.919 4.350 -0.000 0.000 0.297 203 T C -0.877 173.637 174.700 -0.311 0.000 0.991 203 T CA -0.417 61.554 62.100 -0.215 0.000 0.990 203 T CB 1.666 70.458 68.868 -0.127 0.000 0.991 203 T HN 0.332 nan 8.240 nan 0.000 0.440 204 V N 3.637 123.321 119.914 -0.383 0.000 2.444 204 V HA 0.833 4.953 4.120 -0.000 0.000 0.294 204 V C -0.109 175.871 176.094 -0.189 0.000 1.022 204 V CA -0.634 61.408 62.300 -0.430 0.000 0.850 204 V CB 1.446 32.700 31.823 -0.947 0.000 0.992 204 V HN 1.096 nan 8.190 nan 0.000 0.426 205 S N 2.787 118.403 115.700 -0.139 0.000 2.671 205 S HA 0.953 5.423 4.470 -0.000 0.000 0.277 205 S C -0.415 174.156 174.600 -0.049 0.000 1.165 205 S CA -0.253 57.906 58.200 -0.069 0.000 0.822 205 S CB 2.516 65.678 63.200 -0.063 0.000 1.150 205 S HN 0.962 nan 8.310 nan 0.000 0.479 206 T N -2.030 112.511 114.554 -0.022 0.000 2.654 206 T HA 0.552 4.901 4.350 -0.000 0.000 0.289 206 T C 0.551 175.244 174.700 -0.011 0.000 1.062 206 T CA -1.010 61.083 62.100 -0.012 0.000 1.041 206 T CB 1.198 70.076 68.868 0.015 0.000 1.417 206 T HN 0.524 nan 8.240 nan 0.000 0.510 207 R N 0.153 120.648 120.500 -0.008 0.000 2.115 207 R HA 0.024 4.364 4.340 -0.000 0.000 0.230 207 R C 2.482 178.781 176.300 -0.002 0.000 1.111 207 R CA 1.700 57.795 56.100 -0.008 0.000 0.976 207 R CB -0.122 30.173 30.300 -0.009 0.000 0.870 207 R HN 0.687 nan 8.270 nan 0.000 0.445 208 R N -1.471 119.032 120.500 0.006 0.000 2.307 208 R HA 0.227 4.567 4.340 -0.000 0.000 0.200 208 R C 1.176 177.484 176.300 0.013 0.000 0.893 208 R CA 0.069 56.175 56.100 0.011 0.000 1.042 208 R CB 0.251 30.562 30.300 0.017 0.000 1.059 208 R HN -0.114 nan 8.270 nan 0.000 0.530 209 S N 0.044 115.754 115.700 0.016 0.000 2.521 209 S HA 0.271 4.741 4.470 -0.000 0.000 0.278 209 S C -0.932 173.668 174.600 0.001 0.000 1.140 209 S CA -0.368 57.843 58.200 0.017 0.000 1.028 209 S CB 0.779 64.003 63.200 0.039 0.000 1.203 209 S HN 0.367 nan 8.310 nan 0.000 0.491 210 Q N 0.647 120.445 119.800 -0.003 0.000 3.515 210 Q HA 0.031 4.371 4.340 -0.000 0.000 0.132 210 Q C -2.531 173.458 176.000 -0.019 0.000 0.976 210 Q CA -0.169 55.622 55.803 -0.020 0.000 1.256 210 Q CB -0.758 27.966 28.738 -0.024 0.000 1.625 210 Q HN 0.906 nan 8.270 nan 0.000 0.594 211 Q N 1.533 121.318 119.800 -0.025 0.000 2.313 211 Q HA 0.685 5.025 4.340 -0.000 0.000 0.260 211 Q C -1.571 174.401 176.000 -0.046 0.000 0.972 211 Q CA -0.813 54.974 55.803 -0.026 0.000 0.886 211 Q CB 2.326 31.064 28.738 -0.000 0.000 1.373 211 Q HN 0.445 nan 8.270 nan 0.000 0.416 212 T N 3.640 118.156 114.554 -0.063 0.000 2.841 212 T HA 0.632 4.981 4.350 -0.000 0.000 0.283 212 T C -0.366 174.279 174.700 -0.091 0.000 1.000 212 T CA -0.566 61.487 62.100 -0.079 0.000 0.977 212 T CB 0.856 69.683 68.868 -0.068 0.000 0.979 212 T HN 0.492 nan 8.240 nan 0.000 0.446 213 I N 4.139 124.645 120.570 -0.107 0.000 2.530 213 I HA 0.579 4.749 4.170 -0.000 0.000 0.297 213 I C 0.003 176.072 176.117 -0.078 0.000 1.011 213 I CA -1.377 59.857 61.300 -0.111 0.000 1.107 213 I CB 1.550 39.440 38.000 -0.184 0.000 1.285 213 I HN 0.670 nan 8.210 nan 0.000 0.436 214 I N 3.362 123.902 120.570 -0.050 0.000 2.530 214 I HA 0.640 4.809 4.170 -0.000 0.000 0.297 214 I C -2.620 173.466 176.117 -0.052 0.000 1.011 214 I CA -2.067 59.202 61.300 -0.052 0.000 1.107 214 I CB 2.091 40.076 38.000 -0.025 0.000 1.285 214 I HN 0.282 nan 8.210 nan 0.000 0.436 215 P HA 0.197 nan 4.420 nan 0.000 0.277 215 P C -1.416 175.917 177.300 0.056 0.000 1.240 215 P CA -0.417 62.570 63.100 -0.189 0.000 0.798 215 P CB 0.714 32.270 31.700 -0.240 0.000 0.979 216 N N 2.141 121.038 118.700 0.328 0.000 2.446 216 N HA 0.319 5.059 4.740 -0.000 0.000 0.265 216 N C -0.253 175.399 175.510 0.237 0.000 0.975 216 N CA -0.472 52.735 53.050 0.261 0.000 0.928 216 N CB 0.886 39.498 38.487 0.209 0.000 1.160 216 N HN 0.254 nan 8.380 nan 0.000 0.495 217 I N 1.270 121.926 120.570 0.144 0.000 2.428 217 I HA 0.573 4.743 4.170 -0.000 0.000 0.289 217 I C 1.275 177.455 176.117 0.105 0.000 1.019 217 I CA 0.156 61.538 61.300 0.136 0.000 1.351 217 I CB 1.098 39.168 38.000 0.117 0.000 1.412 217 I HN 0.675 nan 8.210 nan 0.000 0.513 218 G N 2.793 111.655 108.800 0.104 0.000 2.428 218 G HA2 0.472 4.431 3.960 -0.000 0.000 0.305 218 G HA3 0.472 4.431 3.960 -0.000 0.000 0.305 218 G C -1.576 173.373 174.900 0.081 0.000 1.260 218 G CA -0.521 44.624 45.100 0.076 0.000 0.853 218 G HN 0.402 nan 8.290 nan 0.000 0.480 219 S N -0.135 115.607 115.700 0.069 0.000 2.733 219 S HA 0.665 5.135 4.470 -0.000 0.000 0.307 219 S C 0.031 174.673 174.600 0.070 0.000 1.127 219 S CA -0.582 57.669 58.200 0.085 0.000 1.097 219 S CB 0.809 64.066 63.200 0.095 0.000 1.003 219 S HN 0.552 nan 8.310 nan 0.000 0.477 220 R N 2.446 122.984 120.500 0.063 0.000 2.541 220 R HA 0.654 4.994 4.340 -0.000 0.000 0.254 220 R C -2.447 173.909 176.300 0.093 0.000 1.130 220 R CA -1.640 54.486 56.100 0.043 0.000 1.152 220 R CB -0.372 29.930 30.300 0.004 0.000 1.222 220 R HN 0.331 nan 8.270 nan 0.000 0.579 221 P HA 0.066 nan 4.420 nan 0.000 0.274 221 P C -0.936 176.476 177.300 0.186 0.000 1.246 221 P CA -0.320 62.865 63.100 0.142 0.000 0.795 221 P CB 0.351 32.100 31.700 0.082 0.000 1.006 222 W N 1.411 122.704 121.300 -0.011 0.000 2.529 222 W HA 0.285 4.945 4.660 -0.000 0.000 0.319 222 W C -0.694 175.812 176.519 -0.021 0.000 1.362 222 W CA 0.476 57.813 57.345 -0.013 0.000 1.348 222 W CB -0.013 29.440 29.460 -0.012 0.000 1.403 222 W HN -0.046 nan 8.180 nan 0.000 0.519 223 V N 6.168 126.028 119.914 -0.090 0.000 2.326 223 V HA 0.269 4.389 4.120 -0.000 0.000 0.281 223 V C 0.506 176.517 176.094 -0.139 0.000 1.015 223 V CA -1.317 60.939 62.300 -0.073 0.000 0.823 223 V CB 0.976 32.758 31.823 -0.068 0.000 1.009 223 V HN 0.527 nan 8.190 nan 0.000 0.436 224 R N 4.354 124.809 120.500 -0.074 0.000 3.332 224 R HA -0.203 4.137 4.340 -0.000 0.000 0.263 224 R C 1.153 177.342 176.300 -0.185 0.000 1.053 224 R CA 1.301 57.342 56.100 -0.097 0.000 0.705 224 R CB -1.305 28.931 30.300 -0.107 0.000 1.166 224 R HN 1.625 nan 8.270 nan 0.000 0.427 225 G N -0.545 108.126 108.800 -0.215 0.000 4.526 225 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.217 225 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.217 225 G C 0.285 174.520 174.900 -1.109 0.000 1.428 225 G CA 0.076 44.883 45.100 -0.489 0.000 0.928 225 G HN 0.297 nan 8.290 nan 0.000 0.639 226 L N 1.943 122.746 121.223 -0.699 0.000 2.506 226 L HA 0.373 4.713 4.340 -0.000 0.000 0.281 226 L C 1.790 178.251 176.870 -0.681 0.000 1.228 226 L CA 0.887 55.341 54.840 -0.643 0.000 0.850 226 L CB 1.165 42.909 42.059 -0.526 0.000 1.110 226 L HN 0.727 nan 8.230 nan 0.000 0.496 227 S N -1.346 114.063 115.700 -0.484 0.000 2.701 227 S HA 0.179 4.649 4.470 -0.000 0.000 0.242 227 S C 0.254 174.826 174.600 -0.047 0.000 1.025 227 S CA -0.062 57.982 58.200 -0.259 0.000 1.016 227 S CB 0.358 63.499 63.200 -0.098 0.000 0.977 227 S HN 0.676 nan 8.310 nan 0.000 0.546 228 S N 1.158 116.854 115.700 -0.006 0.000 2.751 228 S HA 0.920 5.390 4.470 -0.000 0.000 0.310 228 S C -0.461 174.228 174.600 0.149 0.000 1.128 228 S CA -0.987 57.279 58.200 0.110 0.000 0.931 228 S CB 1.983 65.337 63.200 0.256 0.000 1.177 228 S HN 0.776 nan 8.310 nan 0.000 0.530 229 R N -0.849 119.746 120.500 0.158 0.000 2.921 229 R HA 0.625 4.965 4.340 -0.000 0.000 0.268 229 R C -1.763 174.582 176.300 0.074 0.000 1.008 229 R CA -1.045 55.230 56.100 0.291 0.000 0.876 229 R CB 0.203 30.605 30.300 0.171 0.000 1.395 229 R HN 0.624 nan 8.270 nan 0.000 0.443 230 I N 0.386 121.046 120.570 0.149 0.000 2.785 230 I HA 0.419 4.589 4.170 -0.000 0.000 0.302 230 I C -0.605 175.609 176.117 0.162 0.000 1.069 230 I CA -1.167 60.181 61.300 0.080 0.000 1.045 230 I CB 2.500 40.466 38.000 -0.057 0.000 1.236 230 I HN 0.497 nan 8.210 nan 0.000 0.429 231 S N 4.897 120.693 115.700 0.160 0.000 2.449 231 S HA 0.561 5.030 4.470 -0.000 0.000 0.310 231 S C -0.427 174.107 174.600 -0.109 0.000 1.096 231 S CA -0.517 57.715 58.200 0.054 0.000 1.095 231 S CB 1.105 64.455 63.200 0.251 0.000 1.007 231 S HN 0.247 nan 8.310 nan 0.000 0.474 232 I N 3.711 124.119 120.570 -0.270 0.000 2.353 232 I HA 0.423 4.593 4.170 -0.000 0.000 0.293 232 I C -0.660 175.060 176.117 -0.661 0.000 0.992 232 I CA -0.332 60.766 61.300 -0.337 0.000 1.268 232 I CB 0.626 38.517 38.000 -0.183 0.000 1.387 232 I HN 0.629 nan 8.210 nan 0.000 0.478 233 Y N 4.854 124.806 120.300 -0.580 0.000 2.662 233 Y HA 0.577 5.127 4.550 -0.000 0.000 0.335 233 Y C -0.389 175.100 175.900 -0.686 0.000 1.066 233 Y CA -0.598 57.019 58.100 -0.806 0.000 1.116 233 Y CB 1.925 39.444 38.460 -1.568 0.000 1.308 233 Y HN 0.629 nan 8.280 nan 0.000 0.502 234 W N -0.909 120.166 121.300 -0.376 0.000 3.217 234 W HA 0.802 5.462 4.660 -0.000 0.000 0.323 234 W C -2.272 174.407 176.519 0.267 0.000 1.216 234 W CA -0.996 56.315 57.345 -0.057 0.000 1.194 234 W CB 1.456 30.887 29.460 -0.048 0.000 1.397 234 W HN 0.368 nan 8.180 nan 0.000 0.537 235 T N 4.198 119.163 114.554 0.684 0.000 2.971 235 T HA 0.550 4.899 4.350 -0.000 0.000 0.304 235 T C -0.725 174.334 174.700 0.597 0.000 1.038 235 T CA -0.684 61.752 62.100 0.559 0.000 1.007 235 T CB 0.941 70.167 68.868 0.596 0.000 1.055 235 T HN 0.697 nan 8.240 nan 0.000 0.451 236 I N 0.270 121.112 120.570 0.453 0.000 2.530 236 I HA 0.932 5.102 4.170 -0.000 0.000 0.297 236 I C -1.004 175.277 176.117 0.272 0.000 1.011 236 I CA -1.206 60.307 61.300 0.354 0.000 1.107 236 I CB 1.825 39.980 38.000 0.258 0.000 1.285 236 I HN 0.264 nan 8.210 nan 0.000 0.436 237 V N 4.419 124.474 119.914 0.236 0.000 2.487 237 V HA 0.443 4.563 4.120 -0.000 0.000 0.298 237 V C 0.085 176.210 176.094 0.051 0.000 1.028 237 V CA -0.813 61.577 62.300 0.151 0.000 0.860 237 V CB 1.271 33.211 31.823 0.196 0.000 0.991 237 V HN 0.718 nan 8.190 nan 0.000 0.427 238 K N 3.991 124.410 120.400 0.031 0.000 2.202 238 K HA 0.377 4.697 4.320 -0.000 0.000 0.264 238 K C -2.534 174.037 176.600 -0.048 0.000 1.010 238 K CA -1.564 54.720 56.287 -0.004 0.000 0.940 238 K CB 0.799 33.307 32.500 0.013 0.000 0.983 238 K HN 0.383 nan 8.250 nan 0.000 0.475 239 P HA -0.063 nan 4.420 nan 0.000 0.265 239 P C -0.123 177.139 177.300 -0.063 0.000 1.193 239 P CA 1.019 64.055 63.100 -0.108 0.000 0.765 239 P CB 0.489 32.132 31.700 -0.094 0.000 0.823 240 G N 1.074 109.833 108.800 -0.069 0.000 2.255 240 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.239 240 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.239 240 G C -0.439 174.440 174.900 -0.035 0.000 1.083 240 G CA -0.099 44.974 45.100 -0.045 0.000 0.826 240 G HN 0.651 nan 8.290 nan 0.000 0.493 241 D N -1.525 118.851 120.400 -0.040 0.000 2.623 241 D HA 0.626 5.265 4.640 -0.000 0.000 0.241 241 D C -0.706 175.576 176.300 -0.031 0.000 1.241 241 D CA 0.014 53.998 54.000 -0.026 0.000 0.788 241 D CB 2.052 42.846 40.800 -0.010 0.000 1.413 241 D HN 0.594 nan 8.370 nan 0.000 0.429 242 V N 2.223 122.119 119.914 -0.030 0.000 2.919 242 V HA 0.588 4.707 4.120 -0.000 0.000 0.316 242 V C -0.879 175.189 176.094 -0.045 0.000 1.077 242 V CA -0.767 61.508 62.300 -0.043 0.000 0.977 242 V CB 1.810 33.601 31.823 -0.053 0.000 1.039 242 V HN 0.598 nan 8.190 nan 0.000 0.441 243 L N 5.539 126.715 121.223 -0.077 0.000 2.309 243 L HA 0.705 5.044 4.340 -0.000 0.000 0.282 243 L C -1.152 175.643 176.870 -0.125 0.000 1.036 243 L CA -0.235 54.524 54.840 -0.134 0.000 0.806 243 L CB 1.767 43.636 42.059 -0.315 0.000 1.220 243 L HN 0.536 nan 8.230 nan 0.000 0.429 244 V N 5.924 125.765 119.914 -0.122 0.000 2.760 244 V HA 0.498 4.618 4.120 -0.000 0.000 0.309 244 V C -0.257 175.763 176.094 -0.124 0.000 1.077 244 V CA -0.518 61.724 62.300 -0.095 0.000 0.910 244 V CB 2.483 34.261 31.823 -0.075 0.000 1.008 244 V HN 0.590 nan 8.190 nan 0.000 0.424 245 I N 3.759 124.287 120.570 -0.070 0.000 2.465 245 I HA 0.506 4.675 4.170 -0.000 0.000 0.291 245 I C -0.433 175.672 176.117 -0.020 0.000 1.014 245 I CA -0.393 60.852 61.300 -0.090 0.000 1.093 245 I CB 1.953 39.972 38.000 0.032 0.000 1.267 245 I HN 0.722 nan 8.210 nan 0.000 0.431 246 N N 3.883 122.547 118.700 -0.059 0.000 2.594 246 N HA 0.321 5.061 4.740 -0.000 0.000 0.280 246 N C -1.536 173.963 175.510 -0.019 0.000 1.156 246 N CA -0.185 52.861 53.050 -0.008 0.000 0.831 246 N CB 1.169 39.643 38.487 -0.022 0.000 1.379 246 N HN 0.561 nan 8.380 nan 0.000 0.536 247 S N 2.010 117.732 115.700 0.036 0.000 2.568 247 S HA 0.394 4.864 4.470 -0.000 0.000 0.293 247 S C -0.280 174.376 174.600 0.094 0.000 1.089 247 S CA -0.760 57.451 58.200 0.019 0.000 0.945 247 S CB 0.857 64.056 63.200 -0.001 0.000 1.077 247 S HN 0.751 nan 8.310 nan 0.000 0.485 248 N N 1.646 120.342 118.700 -0.007 0.000 2.291 248 N HA 0.469 5.208 4.740 -0.000 0.000 0.244 248 N C 0.177 175.446 175.510 -0.401 0.000 1.216 248 N CA -0.640 52.409 53.050 -0.002 0.000 0.879 248 N CB 0.946 39.431 38.487 -0.004 0.000 1.167 248 N HN 0.763 nan 8.380 nan 0.000 0.515 249 G N 0.610 109.038 108.800 -0.620 0.000 2.358 249 G HA2 0.128 4.088 3.960 -0.000 0.000 0.301 249 G HA3 0.128 4.088 3.960 -0.000 0.000 0.301 249 G C -0.753 173.707 174.900 -0.733 0.000 1.539 249 G CA -0.632 43.815 45.100 -1.089 0.000 0.893 249 G HN 0.118 nan 8.290 nan 0.000 0.636 250 N N -2.509 115.448 118.700 -1.238 0.000 2.765 250 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 250 N C 0.410 175.683 175.510 -0.395 0.000 1.063 250 N CA 1.320 53.693 53.050 -1.128 0.000 0.862 250 N CB -1.178 36.871 38.487 -0.730 0.000 1.145 250 N HN 1.147 nan 8.380 nan 0.000 0.581 251 L N 1.258 122.370 121.223 -0.184 0.000 2.462 251 L HA 0.215 4.554 4.340 -0.000 0.000 0.272 251 L C 0.162 177.002 176.870 -0.050 0.000 1.166 251 L CA 0.300 55.088 54.840 -0.087 0.000 0.880 251 L CB 0.282 42.282 42.059 -0.098 0.000 1.142 251 L HN 0.136 nan 8.230 nan 0.000 0.473 252 I N 6.721 127.278 120.570 -0.021 0.000 2.578 252 I HA 0.270 4.440 4.170 -0.000 0.000 0.284 252 I C 0.777 176.904 176.117 0.018 0.000 1.156 252 I CA -0.294 61.014 61.300 0.013 0.000 1.165 252 I CB -0.176 37.835 38.000 0.019 0.000 1.567 252 I HN 0.800 nan 8.210 nan 0.000 0.546 253 A N 7.646 130.348 122.820 -0.196 0.000 2.475 253 A HA 0.358 4.678 4.320 -0.000 0.000 0.239 253 A C -2.216 175.331 177.584 -0.062 0.000 1.087 253 A CA -0.305 51.561 52.037 -0.285 0.000 0.779 253 A CB -0.424 18.004 19.000 -0.953 0.000 1.036 253 A HN 0.362 nan 8.150 nan 0.000 0.506 254 P HA 0.415 nan 4.420 nan 0.000 0.290 254 P C -0.511 176.877 177.300 0.146 0.000 1.283 254 P CA -0.599 62.618 63.100 0.195 0.000 0.869 254 P CB 1.612 33.551 31.700 0.398 0.000 1.100 255 R N 0.674 121.398 120.500 0.374 0.000 2.317 255 R HA 0.404 4.743 4.340 -0.000 0.000 0.208 255 R C 1.026 177.624 176.300 0.497 0.000 0.914 255 R CA 0.367 56.731 56.100 0.441 0.000 1.060 255 R CB 0.228 30.774 30.300 0.410 0.000 1.015 255 R HN 0.757 nan 8.270 nan 0.000 0.498 256 G N -0.489 108.657 108.800 0.576 0.000 2.317 256 G HA2 0.104 4.064 3.960 -0.000 0.000 0.293 256 G HA3 0.104 4.064 3.960 -0.000 0.000 0.293 256 G C -1.951 173.120 174.900 0.285 0.000 1.287 256 G CA -0.937 44.300 45.100 0.230 0.000 0.850 256 G HN 0.117 nan 8.290 nan 0.000 0.515 257 Y N -0.867 119.367 120.300 -0.111 0.000 2.487 257 Y HA 0.858 5.407 4.550 -0.000 0.000 0.337 257 Y C -0.860 175.063 175.900 0.039 0.000 1.076 257 Y CA -2.428 55.560 58.100 -0.187 0.000 1.115 257 Y CB 1.201 39.272 38.460 -0.648 0.000 1.235 257 Y HN 0.377 nan 8.280 nan 0.000 0.468 258 F N 2.204 122.374 119.950 0.366 0.000 2.394 258 F HA 0.418 4.945 4.527 -0.000 0.000 0.340 258 F C 0.652 176.646 175.800 0.322 0.000 1.105 258 F CA -0.683 57.525 58.000 0.347 0.000 1.124 258 F CB 1.348 40.473 39.000 0.209 0.000 1.145 258 F HN 0.513 nan 8.300 nan 0.000 0.505 259 K N 2.488 123.170 120.400 0.469 0.000 2.319 259 K HA 0.247 4.567 4.320 -0.000 0.000 0.265 259 K C -0.529 176.216 176.600 0.242 0.000 1.000 259 K CA -0.250 56.264 56.287 0.378 0.000 0.943 259 K CB 0.447 33.061 32.500 0.190 0.000 0.950 259 K HN 0.495 nan 8.250 nan 0.000 0.485 260 M N 4.586 124.313 119.600 0.210 0.000 2.036 260 M HA 0.255 4.735 4.480 -0.000 0.000 0.337 260 M C -0.493 175.826 176.300 0.031 0.000 1.012 260 M CA -0.495 54.868 55.300 0.105 0.000 0.962 260 M CB 1.019 33.695 32.600 0.126 0.000 1.423 260 M HN 0.434 nan 8.290 nan 0.000 0.405 261 R N 0.952 121.428 120.500 -0.039 0.000 2.532 261 R HA 0.519 4.859 4.340 -0.000 0.000 0.272 261 R C 1.219 177.480 176.300 -0.065 0.000 1.032 261 R CA -0.045 56.012 56.100 -0.071 0.000 1.089 261 R CB 0.739 30.961 30.300 -0.131 0.000 1.098 261 R HN 0.679 nan 8.270 nan 0.000 0.526 262 T N -2.131 112.391 114.554 -0.053 0.000 3.044 262 T HA 0.120 4.469 4.350 -0.000 0.000 0.237 262 T C 1.360 176.032 174.700 -0.047 0.000 1.001 262 T CA 0.368 62.446 62.100 -0.038 0.000 1.160 262 T CB -0.554 68.303 68.868 -0.018 0.000 0.889 262 T HN 0.695 nan 8.240 nan 0.000 0.442 263 G N 3.213 111.984 108.800 -0.050 0.000 2.394 263 G HA2 -0.299 3.660 3.960 -0.000 0.000 1.008 263 G HA3 -0.299 3.660 3.960 -0.000 0.000 1.008 263 G C 0.027 174.914 174.900 -0.023 0.000 1.409 263 G CA 0.788 45.861 45.100 -0.044 0.000 0.858 263 G HN 1.001 nan 8.290 nan 0.000 0.494 264 K N -0.837 119.559 120.400 -0.007 0.000 3.082 264 K HA 0.551 4.871 4.320 -0.000 0.000 0.203 264 K C -0.261 176.396 176.600 0.095 0.000 1.177 264 K CA -0.266 56.045 56.287 0.039 0.000 1.041 264 K CB 0.525 33.047 32.500 0.036 0.000 1.312 264 K HN 0.435 nan 8.250 nan 0.000 0.526 265 S N -0.205 115.525 115.700 0.049 0.000 2.607 265 S HA 0.628 5.098 4.470 -0.000 0.000 0.303 265 S C -0.657 173.995 174.600 0.087 0.000 1.086 265 S CA -0.821 57.426 58.200 0.077 0.000 0.995 265 S CB 1.886 65.036 63.200 -0.084 0.000 1.084 265 S HN 0.359 nan 8.310 nan 0.000 0.507 266 S N 0.011 115.732 115.700 0.035 0.000 2.880 266 S HA 0.793 5.263 4.470 -0.000 0.000 0.308 266 S C -1.733 172.859 174.600 -0.015 0.000 1.195 266 S CA -0.781 57.401 58.200 -0.030 0.000 0.866 266 S CB 0.999 64.087 63.200 -0.186 0.000 1.254 266 S HN 0.798 nan 8.310 nan 0.000 0.571 267 I N 1.596 122.105 120.570 -0.102 0.000 2.894 267 I HA 0.615 4.785 4.170 -0.000 0.000 0.302 267 I C -1.669 174.374 176.117 -0.123 0.000 1.188 267 I CA -0.939 60.297 61.300 -0.106 0.000 1.014 267 I CB 2.031 39.968 38.000 -0.105 0.000 1.242 267 I HN 0.879 nan 8.210 nan 0.000 0.430 268 M N 6.159 125.697 119.600 -0.103 0.000 2.421 268 M HA 0.498 4.978 4.480 -0.000 0.000 0.287 268 M C -1.702 174.566 176.300 -0.052 0.000 1.183 268 M CA -0.713 54.541 55.300 -0.077 0.000 0.916 268 M CB 2.374 34.923 32.600 -0.085 0.000 1.701 268 M HN 0.490 nan 8.290 nan 0.000 0.470 269 R N 2.581 123.060 120.500 -0.036 0.000 2.254 269 R HA 0.565 4.905 4.340 -0.000 0.000 0.318 269 R C -0.945 175.340 176.300 -0.025 0.000 1.031 269 R CA -0.385 55.699 56.100 -0.028 0.000 0.905 269 R CB 1.498 31.786 30.300 -0.020 0.000 1.050 269 R HN 0.694 nan 8.270 nan 0.000 0.456 270 S N 1.431 117.114 115.700 -0.029 0.000 2.570 270 S HA 0.100 4.570 4.470 -0.000 0.000 0.286 270 S C -0.939 173.646 174.600 -0.024 0.000 1.143 270 S CA -0.780 57.408 58.200 -0.021 0.000 0.921 270 S CB 1.288 64.477 63.200 -0.018 0.000 1.108 270 S HN 0.561 nan 8.310 nan 0.000 0.456 271 D N 2.678 123.069 120.400 -0.015 0.000 2.358 271 D HA 0.283 4.923 4.640 -0.000 0.000 0.224 271 D C 0.706 176.998 176.300 -0.013 0.000 1.123 271 D CA 0.168 54.158 54.000 -0.017 0.000 0.833 271 D CB 0.765 41.558 40.800 -0.012 0.000 0.946 271 D HN 0.670 nan 8.370 nan 0.000 0.505 272 A N 2.504 125.318 122.820 -0.010 0.000 2.450 272 A HA 0.355 4.675 4.320 -0.000 0.000 0.255 272 A C -2.143 175.435 177.584 -0.010 0.000 1.096 272 A CA -0.904 51.131 52.037 -0.004 0.000 0.778 272 A CB 0.227 19.230 19.000 0.006 0.000 1.031 272 A HN -0.048 nan 8.150 nan 0.000 0.494 273 P HA 0.319 nan 4.420 nan 0.000 0.279 273 P C -0.158 177.138 177.300 -0.007 0.000 1.239 273 P CA -0.152 62.941 63.100 -0.011 0.000 0.789 273 P CB 0.697 32.392 31.700 -0.008 0.000 0.933 274 I N -0.627 119.936 120.570 -0.011 0.000 2.720 274 I HA 0.512 4.682 4.170 -0.000 0.000 0.287 274 I C 0.012 176.129 176.117 0.000 0.000 1.090 274 I CA -0.067 61.231 61.300 -0.003 0.000 1.384 274 I CB 0.517 38.511 38.000 -0.009 0.000 1.420 274 I HN 0.217 nan 8.210 nan 0.000 0.575 275 D N 2.023 122.426 120.400 0.006 0.000 2.579 275 D HA 0.414 5.054 4.640 -0.000 0.000 0.257 275 D C -1.262 175.042 176.300 0.007 0.000 1.176 275 D CA -0.454 53.549 54.000 0.005 0.000 0.914 275 D CB 2.422 43.225 40.800 0.005 0.000 1.431 275 D HN 0.674 nan 8.370 nan 0.000 0.454 276 T N 0.975 115.532 114.554 0.004 0.000 2.749 276 T HA 0.596 4.946 4.350 -0.000 0.000 0.295 276 T C -0.230 174.471 174.700 0.002 0.000 0.936 276 T CA -0.097 62.006 62.100 0.004 0.000 1.060 276 T CB -0.590 68.280 68.868 0.003 0.000 0.904 276 T HN 0.706 nan 8.240 nan 0.000 0.500 277 c N 2.078 120.679 118.600 0.000 0.000 3.127 277 c HA 0.548 5.118 4.570 -0.000 0.000 0.306 277 c C -2.152 171.930 174.090 -0.013 0.000 1.339 277 c CA -1.278 55.048 56.329 -0.005 0.000 1.171 277 c CB 0.104 42.612 42.510 -0.004 0.000 1.443 277 c HN 0.635 nan 8.230 nan 0.000 0.416 278 I N 1.600 122.157 120.570 -0.021 0.000 2.647 278 I HA 0.781 4.951 4.170 -0.000 0.000 0.295 278 I C -0.230 175.862 176.117 -0.042 0.000 1.078 278 I CA 0.127 61.402 61.300 -0.041 0.000 1.048 278 I CB 1.493 39.468 38.000 -0.042 0.000 1.239 278 I HN 1.178 nan 8.210 nan 0.000 0.421 279 S N 4.255 119.914 115.700 -0.067 0.000 2.240 279 S HA 0.128 4.597 4.470 -0.000 0.000 0.281 279 S C 0.401 174.946 174.600 -0.092 0.000 0.842 279 S CA -0.496 57.672 58.200 -0.052 0.000 0.942 279 S CB 0.448 63.641 63.200 -0.013 0.000 1.241 279 S HN 0.601 nan 8.310 nan 0.000 0.407 280 E N 1.215 121.346 120.200 -0.116 0.000 2.396 280 E HA -0.078 4.271 4.350 -0.000 0.000 0.200 280 E C 0.801 177.396 176.600 -0.008 0.000 1.023 280 E CA 0.755 57.058 56.400 -0.161 0.000 0.857 280 E CB -0.060 29.579 29.700 -0.102 0.000 0.775 280 E HN 0.521 nan 8.360 nan 0.000 0.525 281 c N 1.690 120.306 118.600 0.026 0.000 2.281 281 c HA 0.470 5.040 4.570 -0.000 0.000 0.323 281 c C -0.057 174.106 174.090 0.122 0.000 1.270 281 c CA -0.874 55.504 56.329 0.082 0.000 1.559 281 c CB -0.798 41.746 42.510 0.056 0.000 2.239 281 c HN 0.097 nan 8.230 nan 0.000 0.488 282 I N 5.334 126.023 120.570 0.198 0.000 2.377 282 I HA 0.366 4.536 4.170 -0.000 0.000 0.293 282 I C 0.375 176.591 176.117 0.165 0.000 0.987 282 I CA 0.087 61.506 61.300 0.199 0.000 1.185 282 I CB 1.786 39.956 38.000 0.284 0.000 1.341 282 I HN 0.544 nan 8.210 nan 0.000 0.455 283 T N 6.430 121.053 114.554 0.116 0.000 2.824 283 T HA 0.363 4.712 4.350 -0.000 0.000 0.282 283 T C -1.953 172.790 174.700 0.072 0.000 0.993 283 T CA -1.946 60.213 62.100 0.098 0.000 0.967 283 T CB 1.849 70.769 68.868 0.086 0.000 0.960 283 T HN 0.270 nan 8.240 nan 0.000 0.441 284 P HA -0.122 nan 4.420 nan 0.000 0.219 284 P C 1.340 178.658 177.300 0.031 0.000 1.145 284 P CA 0.875 63.994 63.100 0.032 0.000 0.813 284 P CB 0.218 31.931 31.700 0.023 0.000 0.771 285 N N -1.858 116.868 118.700 0.043 0.000 2.331 285 N HA -0.047 4.693 4.740 -0.000 0.000 0.180 285 N C 1.573 177.103 175.510 0.034 0.000 1.019 285 N CA 1.837 54.910 53.050 0.038 0.000 0.881 285 N CB 0.004 38.519 38.487 0.048 0.000 0.972 285 N HN 0.244 nan 8.380 nan 0.000 0.435 286 G N -2.301 106.523 108.800 0.040 0.000 3.847 286 G HA2 0.022 3.982 3.960 -0.000 0.000 0.189 286 G HA3 0.022 3.982 3.960 -0.000 0.000 0.189 286 G C -0.448 174.477 174.900 0.041 0.000 0.907 286 G CA 0.375 45.496 45.100 0.034 0.000 0.893 286 G HN 0.221 nan 8.290 nan 0.000 0.379 287 S N -0.548 115.183 115.700 0.052 0.000 2.694 287 S HA 0.189 4.659 4.470 -0.000 0.000 0.784 287 S C -0.950 173.674 174.600 0.041 0.000 0.785 287 S CA -0.033 58.200 58.200 0.055 0.000 1.565 287 S CB -0.958 62.269 63.200 0.045 0.000 1.132 287 S HN 1.625 nan 8.310 nan 0.000 0.234 288 I N 0.670 121.265 120.570 0.042 0.000 2.913 288 I HA 0.753 4.923 4.170 -0.000 0.000 0.302 288 I C -2.825 173.303 176.117 0.020 0.000 1.246 288 I CA -2.622 58.696 61.300 0.030 0.000 1.010 288 I CB 2.567 40.589 38.000 0.035 0.000 1.259 288 I HN 0.380 nan 8.210 nan 0.000 0.434 289 P HA 0.146 nan 4.420 nan 0.000 0.276 289 P C -0.611 176.690 177.300 0.001 0.000 1.235 289 P CA -0.083 63.017 63.100 0.000 0.000 0.772 289 P CB 0.553 32.250 31.700 -0.004 0.000 0.871 290 N N 0.844 119.542 118.700 -0.004 0.000 2.314 290 N HA -0.094 4.646 4.740 -0.000 0.000 0.200 290 N C 0.690 176.190 175.510 -0.017 0.000 1.135 290 N CA 0.065 53.112 53.050 -0.004 0.000 0.835 290 N CB -0.684 37.800 38.487 -0.006 0.000 0.989 290 N HN 0.289 nan 8.380 nan 0.000 0.478 291 D N 0.333 120.719 120.400 -0.022 0.000 2.117 291 D HA -0.175 4.464 4.640 -0.000 0.000 0.198 291 D C 0.593 176.862 176.300 -0.052 0.000 0.982 291 D CA 1.177 55.156 54.000 -0.034 0.000 0.828 291 D CB -0.054 40.727 40.800 -0.030 0.000 0.967 291 D HN 0.005 nan 8.370 nan 0.000 0.464 292 K N 0.436 120.806 120.400 -0.050 0.000 2.170 292 K HA 0.058 4.378 4.320 -0.000 0.000 0.241 292 K C -1.530 174.998 176.600 -0.120 0.000 1.071 292 K CA -0.441 55.796 56.287 -0.083 0.000 0.822 292 K CB -0.301 32.171 32.500 -0.048 0.000 1.097 292 K HN 0.191 nan 8.250 nan 0.000 0.522 293 P HA 0.232 nan 4.420 nan 0.000 0.298 293 P C -0.464 176.751 177.300 -0.141 0.000 1.310 293 P CA 0.280 63.176 63.100 -0.339 0.000 0.991 293 P CB 0.826 32.103 31.700 -0.705 0.000 1.512 294 F N 0.840 120.772 119.950 -0.030 0.000 2.581 294 F HA 0.467 4.994 4.527 -0.000 0.000 0.311 294 F C -0.402 175.352 175.800 -0.077 0.000 1.113 294 F CA -1.092 56.876 58.000 -0.052 0.000 0.935 294 F CB 2.359 41.323 39.000 -0.061 0.000 1.232 294 F HN -0.283 nan 8.300 nan 0.000 0.445 295 Q N 0.985 120.833 119.800 0.079 0.000 2.359 295 Q HA 0.299 4.639 4.340 -0.000 0.000 0.274 295 Q C -1.620 174.231 176.000 -0.249 0.000 1.074 295 Q CA -0.794 54.987 55.803 -0.037 0.000 0.810 295 Q CB 1.904 30.647 28.738 0.008 0.000 1.342 295 Q HN 0.655 nan 8.270 nan 0.000 0.427 296 N N 1.677 120.243 118.700 -0.223 0.000 2.321 296 N HA 0.120 4.860 4.740 -0.000 0.000 0.242 296 N C -0.089 175.351 175.510 -0.117 0.000 1.141 296 N CA 0.048 52.896 53.050 -0.337 0.000 0.864 296 N CB 0.553 38.923 38.487 -0.195 0.000 1.100 296 N HN 0.473 nan 8.380 nan 0.000 0.510 297 V N 0.649 120.545 119.914 -0.031 0.000 2.239 297 V HA 0.007 4.126 4.120 -0.000 0.000 0.242 297 V C 0.727 176.913 176.094 0.154 0.000 1.038 297 V CA 1.247 63.584 62.300 0.063 0.000 1.002 297 V CB -0.251 31.609 31.823 0.061 0.000 0.641 297 V HN 0.491 nan 8.190 nan 0.000 0.449 298 N N -0.769 118.083 118.700 0.254 0.000 2.666 298 N HA 0.082 4.821 4.740 -0.000 0.000 0.260 298 N C 0.739 176.419 175.510 0.284 0.000 1.077 298 N CA -0.260 52.947 53.050 0.261 0.000 1.026 298 N CB 1.139 39.701 38.487 0.126 0.000 1.653 298 N HN 0.209 nan 8.380 nan 0.000 0.533 299 K N 2.384 122.795 120.400 0.019 0.000 2.293 299 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 299 K C 0.239 176.826 176.600 -0.022 0.000 1.045 299 K CA 1.022 57.155 56.287 -0.258 0.000 0.933 299 K CB -0.310 31.825 32.500 -0.608 0.000 0.736 299 K HN 0.475 nan 8.250 nan 0.000 0.463 300 I N 3.061 123.643 120.570 0.020 0.000 2.312 300 I HA 0.097 4.267 4.170 -0.000 0.000 0.291 300 I C 0.307 176.480 176.117 0.094 0.000 1.031 300 I CA -0.652 60.673 61.300 0.042 0.000 1.293 300 I CB 1.308 39.320 38.000 0.021 0.000 1.403 300 I HN 0.175 nan 8.210 nan 0.000 0.484 301 T N 2.305 116.930 114.554 0.117 0.000 2.831 301 T HA 0.546 4.895 4.350 -0.000 0.000 0.287 301 T C -1.140 173.696 174.700 0.226 0.000 1.070 301 T CA -0.855 61.338 62.100 0.155 0.000 1.010 301 T CB 2.068 71.021 68.868 0.140 0.000 1.264 301 T HN 0.491 nan 8.240 nan 0.000 0.532 302 Y N -0.099 120.238 120.300 0.062 0.000 2.332 302 Y HA 0.489 5.038 4.550 -0.000 0.000 0.325 302 Y C 0.537 176.484 175.900 0.079 0.000 1.054 302 Y CA 0.255 58.383 58.100 0.046 0.000 1.119 302 Y CB 0.789 39.264 38.460 0.026 0.000 1.168 302 Y HN 1.477 nan 8.280 nan 0.000 0.439 303 G N 2.953 111.554 108.800 -0.330 0.000 2.682 303 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.256 303 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.256 303 G C 0.099 174.946 174.900 -0.088 0.000 1.333 303 G CA -0.330 44.592 45.100 -0.297 0.000 0.904 303 G HN 1.843 nan 8.290 nan 0.000 0.569 304 A N -1.292 121.494 122.820 -0.056 0.000 2.261 304 A HA 0.267 4.587 4.320 -0.000 0.000 0.316 304 A C 0.971 178.560 177.584 0.008 0.000 0.935 304 A CA 1.608 53.636 52.037 -0.015 0.000 1.322 304 A CB -1.534 17.456 19.000 -0.018 0.000 0.711 304 A HN 2.066 nan 8.150 nan 0.000 0.346 305 c N 2.466 121.082 118.600 0.027 0.000 3.241 305 c HA 0.616 5.185 4.570 -0.000 0.000 0.312 305 c C -2.697 171.434 174.090 0.068 0.000 1.350 305 c CA -0.942 55.417 56.329 0.050 0.000 1.415 305 c CB 1.925 44.478 42.510 0.071 0.000 1.770 305 c HN 0.722 nan 8.230 nan 0.000 0.466 306 P HA 0.219 nan 4.420 nan 0.000 0.280 306 P C -0.643 176.753 177.300 0.159 0.000 1.300 306 P CA 0.005 63.174 63.100 0.114 0.000 0.785 306 P CB 0.120 31.876 31.700 0.092 0.000 0.874 307 K N 2.725 123.248 120.400 0.206 0.000 2.569 307 K HA -0.124 4.196 4.320 -0.000 0.000 0.280 307 K C 0.122 176.794 176.600 0.120 0.000 0.984 307 K CA 0.473 56.868 56.287 0.179 0.000 1.064 307 K CB -0.009 32.610 32.500 0.197 0.000 0.866 307 K HN 0.442 nan 8.250 nan 0.000 0.492 308 Y N 2.833 123.140 120.300 0.011 0.000 2.511 308 Y HA 0.148 4.698 4.550 -0.000 0.000 0.332 308 Y C -0.010 175.823 175.900 -0.113 0.000 1.177 308 Y CA -0.258 57.827 58.100 -0.025 0.000 1.422 308 Y CB 0.561 39.013 38.460 -0.012 0.000 1.271 308 Y HN 0.273 nan 8.280 nan 0.000 0.550 309 V N 3.541 123.087 119.914 -0.613 0.000 3.078 309 V HA 0.376 4.496 4.120 -0.000 0.000 0.311 309 V C 0.022 175.928 176.094 -0.314 0.000 1.138 309 V CA -1.407 60.683 62.300 -0.349 0.000 1.007 309 V CB 2.122 33.681 31.823 -0.440 0.000 1.045 309 V HN 0.781 nan 8.190 nan 0.000 0.432 310 K N -0.192 120.174 120.400 -0.057 0.000 2.217 310 K HA 0.043 4.362 4.320 -0.000 0.000 0.202 310 K C 0.109 176.684 176.600 -0.042 0.000 1.051 310 K CA 0.672 56.973 56.287 0.024 0.000 0.952 310 K CB -0.009 32.514 32.500 0.038 0.000 0.736 310 K HN 0.712 nan 8.250 nan 0.000 0.453 311 Q N 1.328 121.078 119.800 -0.083 0.000 2.304 311 Q HA 0.049 4.389 4.340 -0.000 0.000 0.260 311 Q C 0.227 176.191 176.000 -0.060 0.000 0.965 311 Q CA -0.057 55.713 55.803 -0.055 0.000 0.898 311 Q CB 0.540 29.253 28.738 -0.040 0.000 1.196 311 Q HN 0.341 nan 8.270 nan 0.000 0.402 312 N N 0.458 119.138 118.700 -0.033 0.000 2.370 312 N HA -0.005 4.735 4.740 -0.000 0.000 0.198 312 N C -0.509 174.994 175.510 -0.012 0.000 1.156 312 N CA -0.066 52.968 53.050 -0.027 0.000 0.839 312 N CB 0.514 38.992 38.487 -0.014 0.000 0.989 312 N HN 0.422 nan 8.380 nan 0.000 0.468 313 T N 0.016 114.568 114.554 -0.002 0.000 3.588 313 T HA 0.184 4.534 4.350 -0.000 0.000 0.428 313 T C -2.281 172.434 174.700 0.025 0.000 1.584 313 T CA -0.719 61.388 62.100 0.011 0.000 1.128 313 T CB 0.470 69.341 68.868 0.005 0.000 1.488 313 T HN 0.116 nan 8.240 nan 0.000 0.460 314 L N 4.972 126.219 121.223 0.040 0.000 2.529 314 L HA 0.450 4.790 4.340 -0.000 0.000 0.258 314 L C 0.125 177.014 176.870 0.032 0.000 1.032 314 L CA -0.983 53.888 54.840 0.051 0.000 0.899 314 L CB 1.585 43.709 42.059 0.108 0.000 1.174 314 L HN 0.496 nan 8.230 nan 0.000 0.458 315 K N 2.387 122.797 120.400 0.017 0.000 2.326 315 K HA 0.382 4.702 4.320 -0.000 0.000 0.275 315 K C -0.649 175.954 176.600 0.005 0.000 1.018 315 K CA -0.453 55.837 56.287 0.006 0.000 0.962 315 K CB 2.058 34.559 32.500 0.001 0.000 0.953 315 K HN 0.252 nan 8.250 nan 0.000 0.475 316 L N 1.605 122.825 121.223 -0.005 0.000 2.376 316 L HA 0.353 4.692 4.340 -0.000 0.000 0.275 316 L C -0.701 176.163 176.870 -0.009 0.000 0.987 316 L CA -0.285 54.551 54.840 -0.008 0.000 0.828 316 L CB 1.550 43.597 42.059 -0.020 0.000 1.249 316 L HN 0.695 nan 8.230 nan 0.000 0.409 317 A N 3.521 126.337 122.820 -0.006 0.000 2.561 317 A HA 0.304 4.623 4.320 -0.000 0.000 0.251 317 A C 0.839 178.419 177.584 -0.006 0.000 1.062 317 A CA 0.963 52.996 52.037 -0.006 0.000 0.761 317 A CB -0.226 18.772 19.000 -0.003 0.000 0.986 317 A HN 0.924 nan 8.150 nan 0.000 0.510 318 T N 1.952 116.504 114.554 -0.005 0.000 3.023 318 T HA 0.323 4.673 4.350 -0.000 0.000 0.249 318 T C 1.078 175.782 174.700 0.007 0.000 1.050 318 T CA 0.929 63.027 62.100 -0.002 0.000 1.088 318 T CB 0.214 69.080 68.868 -0.003 0.000 0.946 318 T HN 0.956 nan 8.240 nan 0.000 0.480 319 G N 0.983 109.789 108.800 0.009 0.000 3.013 319 G HA2 0.671 4.631 3.960 -0.000 0.000 0.278 319 G HA3 0.671 4.631 3.960 -0.000 0.000 0.278 319 G C -0.132 174.778 174.900 0.017 0.000 1.353 319 G CA -1.027 44.087 45.100 0.024 0.000 1.043 319 G HN 0.359 nan 8.290 nan 0.000 0.523 320 M N -0.579 119.041 119.600 0.034 0.000 1.868 320 M HA 0.463 4.942 4.480 -0.000 0.000 0.227 320 M C 0.992 177.276 176.300 -0.028 0.000 1.334 320 M CA -0.272 55.040 55.300 0.020 0.000 0.974 320 M CB 0.579 33.214 32.600 0.059 0.000 1.303 320 M HN 0.461 nan 8.290 nan 0.000 0.446 321 R N 0.412 120.893 120.500 -0.032 0.000 3.038 321 R HA 0.189 4.529 4.340 -0.000 0.000 0.263 321 R C -0.846 175.368 176.300 -0.143 0.000 1.208 321 R CA 0.007 56.071 56.100 -0.061 0.000 1.116 321 R CB 0.245 30.527 30.300 -0.031 0.000 1.045 321 R HN 0.903 nan 8.270 nan 0.000 0.549 322 N N -0.599 118.017 118.700 -0.141 0.000 2.493 322 N HA 0.198 4.938 4.740 -0.000 0.000 0.279 322 N C -2.129 173.298 175.510 -0.139 0.000 1.082 322 N CA -0.462 52.469 53.050 -0.198 0.000 0.963 322 N CB 1.844 40.232 38.487 -0.166 0.000 1.627 322 N HN 0.179 nan 8.380 nan 0.000 0.499 323 V N 3.802 123.620 119.914 -0.159 0.000 2.513 323 V HA 0.611 4.731 4.120 -0.000 0.000 0.299 323 V C -1.901 174.156 176.094 -0.063 0.000 1.035 323 V CA -1.531 60.726 62.300 -0.071 0.000 0.889 323 V CB 1.474 33.293 31.823 -0.007 0.000 0.988 323 V HN 0.671 nan 8.190 nan 0.000 0.440 324 P HA 0.181 nan 4.420 nan 0.000 0.268 324 P C 0.537 177.828 177.300 -0.014 0.000 1.204 324 P CA -0.008 63.076 63.100 -0.027 0.000 0.768 324 P CB 0.852 32.541 31.700 -0.019 0.000 0.842 325 E N 2.655 122.846 120.200 -0.015 0.000 2.001 325 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 325 E C 0.276 176.876 176.600 0.000 0.000 0.994 325 E CA 1.116 57.514 56.400 -0.004 0.000 0.815 325 E CB 0.021 29.718 29.700 -0.005 0.000 0.770 325 E HN 0.494 nan 8.360 nan 0.000 0.453 326 K N -0.296 120.102 120.400 -0.003 0.000 2.695 326 K HA 0.206 4.526 4.320 -0.000 0.000 0.255 326 K C -0.901 175.697 176.600 -0.003 0.000 1.016 326 K CA -0.448 55.839 56.287 -0.001 0.000 0.928 326 K CB 1.782 34.282 32.500 0.001 0.000 1.235 326 K HN -0.107 nan 8.250 nan 0.000 0.467 327 Q N -0.552 119.246 119.800 -0.003 0.000 2.452 327 Q HA -0.078 4.261 4.340 -0.000 0.000 0.254 327 Q C -0.785 175.212 176.000 -0.005 0.000 0.752 327 Q CA 1.086 56.887 55.803 -0.003 0.000 1.215 327 Q CB -2.075 26.661 28.738 -0.003 0.000 1.200 327 Q HN 0.897 nan 8.270 nan 0.000 0.757 328 T N 0.000 114.550 114.554 -0.007 0.000 3.816 328 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 328 T CA 0.000 62.095 62.100 -0.009 0.000 1.349 328 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 328 T HN 0.000 nan 8.240 nan 0.000 0.658