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 2ct8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTLMKKFYVT TPIYYVNDVP HLGHAYTTIA ADTIARYYRL RDYDVFFLTG DATA SEQUENCE TDEHGLKIQK KAEELGISPK ELVDRNAERF KKLWEFLKIE YTKFIRTTDP DATA SEQUENCE YHVKFVQKVF EECYKRGDIY LGEYEXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXKEP SYFFRLSKYQ DKLLELYEKN PEFIQPDYRR NEIISFVKQG DATA SEQUENCE LKDLSVTRPR SRVKWGIPVP FDPEHTIYVW FDALFNYISA LEDKVEIYWP DATA SEQUENCE ADLHLVGKDI LRFHTVYWPA FLMSLGYELP KKVFAHGWWT VEGKKMSKTL DATA SEQUENCE GNVVDPYEVV QEYGLDEVRY FLLREVPFGQ DGDFSKKAIL NRINGELANE DATA SEQUENCE IGNLYSRVVN MAHKFLGGEV SGARDEEYAK IAQESIKNYE NYMEKVNFYK DATA SEQUENCE AIEEILKFTS YLNKYVDEKQ PWALNKERKK EELQKVLYAL VDGLFVLTHL DATA SEQUENCE LYPITPNKMK EALQMLGEKE FLKELKPYSK NTYKLGERKI LFPKREG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.273 176.300 -0.044 0.000 1.140 1 M CA 0.000 55.287 55.300 -0.022 0.000 0.988 1 M CB 0.000 32.575 32.600 -0.042 0.000 1.302 2 T N -3.933 110.597 114.554 -0.040 0.000 2.676 2 T HA 0.435 4.783 4.350 -0.003 0.000 0.294 2 T C -0.020 174.656 174.700 -0.040 0.000 1.647 2 T CA -0.862 61.203 62.100 -0.058 0.000 0.992 2 T CB 0.866 69.666 68.868 -0.113 0.000 1.951 2 T HN 0.012 nan 8.240 nan 0.000 0.446 3 L N 0.421 121.617 121.223 -0.044 0.000 1.960 3 L HA 0.470 4.808 4.340 -0.003 0.000 0.209 3 L C 1.040 177.893 176.870 -0.029 0.000 1.090 3 L CA 1.489 56.311 54.840 -0.030 0.000 0.759 3 L CB -0.826 41.217 42.059 -0.026 0.000 0.892 3 L HN 0.710 nan 8.230 nan 0.000 0.436 4 M N 1.632 121.215 119.600 -0.028 0.000 2.219 4 M HA 0.101 4.579 4.480 -0.003 0.000 0.353 4 M C 0.087 176.372 176.300 -0.024 0.000 1.304 4 M CA 0.093 55.378 55.300 -0.025 0.000 1.115 4 M CB 0.491 33.090 32.600 -0.003 0.000 1.664 4 M HN 0.154 nan 8.290 nan 0.000 0.459 5 K N 2.788 123.148 120.400 -0.068 0.000 2.484 5 K HA 0.130 4.448 4.320 -0.003 0.000 0.280 5 K C -0.749 175.890 176.600 0.065 0.000 1.013 5 K CA -0.064 56.183 56.287 -0.067 0.000 1.029 5 K CB 0.065 32.393 32.500 -0.287 0.000 0.902 5 K HN 0.536 nan 8.250 nan 0.000 0.481 6 K N 1.756 122.283 120.400 0.213 0.000 2.444 6 K HA 0.601 4.919 4.320 -0.003 0.000 0.252 6 K C -1.634 175.223 176.600 0.429 0.000 0.993 6 K CA -0.938 55.561 56.287 0.354 0.000 0.847 6 K CB 1.281 33.939 32.500 0.263 0.000 1.340 6 K HN 0.517 nan 8.250 nan 0.000 0.446 7 F N 1.661 121.733 119.950 0.204 0.000 2.562 7 F HA 0.403 4.928 4.527 -0.003 0.000 0.319 7 F C -1.987 173.911 175.800 0.164 0.000 1.154 7 F CA -0.904 57.075 58.000 -0.034 0.000 0.931 7 F CB 1.504 40.211 39.000 -0.488 0.000 1.198 7 F HN 0.617 nan 8.300 nan 0.000 0.444 8 Y N 7.544 127.453 120.300 -0.652 0.000 2.345 8 Y HA 0.696 5.244 4.550 -0.003 0.000 0.331 8 Y C -1.724 173.747 175.900 -0.715 0.000 0.959 8 Y CA -0.972 56.868 58.100 -0.432 0.000 1.204 8 Y CB 1.421 39.775 38.460 -0.177 0.000 1.135 8 Y HN 0.547 nan 8.280 nan 0.000 0.477 9 V N 6.131 125.738 119.914 -0.513 0.000 2.715 9 V HA 0.748 4.866 4.120 -0.003 0.000 0.310 9 V C -0.781 175.168 176.094 -0.241 0.000 1.054 9 V CA -0.042 61.917 62.300 -0.568 0.000 0.928 9 V CB 2.329 33.879 31.823 -0.455 0.000 1.007 9 V HN 0.888 nan 8.190 nan 0.000 0.437 10 T N 1.519 115.928 114.554 -0.241 0.000 2.903 10 T HA 0.746 5.094 4.350 -0.003 0.000 0.299 10 T C -0.294 174.396 174.700 -0.016 0.000 1.093 10 T CA -0.047 62.042 62.100 -0.019 0.000 1.002 10 T CB 1.708 70.550 68.868 -0.042 0.000 1.127 10 T HN 1.062 nan 8.240 nan 0.000 0.488 11 T N -0.550 114.021 114.554 0.029 0.000 2.937 11 T HA 0.799 5.147 4.350 -0.003 0.000 0.283 11 T C -2.908 171.689 174.700 -0.172 0.000 1.012 11 T CA -2.229 59.838 62.100 -0.055 0.000 0.997 11 T CB 0.870 69.711 68.868 -0.045 0.000 1.136 11 T HN 0.467 nan 8.240 nan 0.000 0.551 12 P HA 0.373 nan 4.420 nan 0.000 0.276 12 P C -0.498 176.254 177.300 -0.913 0.000 1.244 12 P CA -0.802 62.045 63.100 -0.422 0.000 0.801 12 P CB 0.191 31.714 31.700 -0.295 0.000 1.006 13 I N -1.045 119.041 120.570 -0.806 0.000 2.312 13 I HA 0.372 4.540 4.170 -0.003 0.000 0.291 13 I C -0.535 175.061 176.117 -0.869 0.000 1.031 13 I CA -0.855 59.905 61.300 -0.901 0.000 1.293 13 I CB -0.055 37.491 38.000 -0.757 0.000 1.403 13 I HN 0.252 nan 8.210 nan 0.000 0.484 14 Y N 4.728 124.648 120.300 -0.634 0.000 2.346 14 Y HA 0.275 4.823 4.550 -0.003 0.000 0.330 14 Y C 0.270 175.841 175.900 -0.547 0.000 1.178 14 Y CA -0.385 57.305 58.100 -0.683 0.000 1.331 14 Y CB 0.296 38.177 38.460 -0.965 0.000 1.253 14 Y HN 0.452 nan 8.280 nan 0.000 0.529 15 Y N 0.802 121.036 120.300 -0.110 0.000 2.480 15 Y HA 0.153 4.701 4.550 -0.003 0.000 0.338 15 Y C 1.123 177.056 175.900 0.055 0.000 1.220 15 Y CA -0.695 57.379 58.100 -0.043 0.000 1.430 15 Y CB 0.733 39.224 38.460 0.051 0.000 1.311 15 Y HN 0.501 nan 8.280 nan 0.000 0.575 16 V N -0.846 119.223 119.914 0.258 0.000 3.319 16 V HA -0.003 4.115 4.120 -0.003 0.000 0.317 16 V C 1.002 177.197 176.094 0.167 0.000 1.411 16 V CA 0.176 62.627 62.300 0.253 0.000 1.112 16 V CB -0.208 31.729 31.823 0.190 0.000 1.031 16 V HN 0.911 nan 8.190 nan 0.000 0.448 17 N N 0.019 118.805 118.700 0.144 0.000 2.521 17 N HA -0.023 4.716 4.740 -0.003 0.000 0.188 17 N C -0.002 175.565 175.510 0.095 0.000 1.146 17 N CA 0.660 53.758 53.050 0.081 0.000 0.893 17 N CB 0.361 38.867 38.487 0.033 0.000 0.975 17 N HN 0.654 nan 8.380 nan 0.000 0.451 18 D N -0.600 119.883 120.400 0.139 0.000 2.677 18 D HA 0.280 4.918 4.640 -0.003 0.000 0.298 18 D C -1.057 175.283 176.300 0.066 0.000 1.250 18 D CA -0.588 53.482 54.000 0.118 0.000 0.888 18 D CB 2.956 43.864 40.800 0.179 0.000 1.397 18 D HN -0.265 nan 8.370 nan 0.000 0.461 19 V N 1.984 121.912 119.914 0.024 0.000 2.649 19 V HA 0.262 4.380 4.120 -0.003 0.000 0.292 19 V C -1.830 174.184 176.094 -0.133 0.000 1.055 19 V CA -1.059 61.183 62.300 -0.096 0.000 1.023 19 V CB 1.181 32.968 31.823 -0.060 0.000 0.992 19 V HN 0.452 nan 8.190 nan 0.000 0.480 20 P HA 0.151 nan 4.420 nan 0.000 0.269 20 P C -0.736 176.493 177.300 -0.118 0.000 1.217 20 P CA 0.365 63.197 63.100 -0.446 0.000 0.783 20 P CB 0.222 31.394 31.700 -0.881 0.000 0.898 21 H N -0.722 118.348 119.070 0.001 0.000 2.990 21 H HA 0.229 4.783 4.556 -0.003 0.000 0.336 21 H C 0.424 175.629 175.328 -0.204 0.000 1.306 21 H CA -0.893 55.065 56.048 -0.149 0.000 1.118 21 H CB 0.289 29.945 29.762 -0.177 0.000 1.856 21 H HN 0.200 nan 8.280 nan 0.000 0.538 22 L N 1.881 123.101 121.223 -0.006 0.000 2.054 22 L HA -0.207 4.131 4.340 -0.003 0.000 0.220 22 L C 2.423 179.233 176.870 -0.101 0.000 1.081 22 L CA 2.915 57.648 54.840 -0.179 0.000 0.780 22 L CB -1.020 40.785 42.059 -0.424 0.000 0.893 22 L HN 0.967 nan 8.230 nan 0.000 0.438 23 G N -2.248 106.581 108.800 0.048 0.000 2.440 23 G HA2 -0.325 3.633 3.960 -0.003 0.000 0.218 23 G HA3 -0.325 3.633 3.960 -0.003 0.000 0.218 23 G C 1.334 176.256 174.900 0.037 0.000 1.154 23 G CA 1.225 46.319 45.100 -0.009 0.000 0.767 23 G HN 0.684 nan 8.290 nan 0.000 0.552 24 H N 0.292 119.340 119.070 -0.036 0.000 2.389 24 H HA 0.183 4.737 4.556 -0.003 0.000 0.299 24 H C 2.852 178.194 175.328 0.022 0.000 1.081 24 H CA 0.691 56.572 56.048 -0.277 0.000 1.345 24 H CB 0.119 29.581 29.762 -0.500 0.000 1.393 24 H HN 0.443 nan 8.280 nan 0.000 0.520 25 A N 0.445 123.414 122.820 0.247 0.000 2.066 25 A HA -0.162 4.156 4.320 -0.003 0.000 0.218 25 A C 1.934 179.618 177.584 0.167 0.000 1.157 25 A CA 0.838 53.059 52.037 0.308 0.000 0.670 25 A CB -0.583 18.543 19.000 0.210 0.000 0.804 25 A HN 0.498 nan 8.150 nan 0.000 0.453 26 Y N 1.382 121.659 120.300 -0.038 0.000 2.133 26 Y HA -0.152 4.396 4.550 -0.003 0.000 0.287 26 Y C 2.534 178.437 175.900 0.005 0.000 1.134 26 Y CA 2.212 60.257 58.100 -0.092 0.000 1.133 26 Y CB -0.885 37.479 38.460 -0.160 0.000 0.987 26 Y HN 0.296 nan 8.280 nan 0.000 0.502 27 T N -0.561 114.014 114.554 0.034 0.000 2.788 27 T HA -0.162 4.186 4.350 -0.003 0.000 0.268 27 T C 1.760 176.482 174.700 0.036 0.000 1.044 27 T CA 2.037 64.186 62.100 0.083 0.000 1.139 27 T CB -0.610 68.509 68.868 0.419 0.000 0.867 27 T HN 0.399 nan 8.240 nan 0.000 0.454 28 T N 1.886 116.471 114.554 0.053 0.000 2.777 28 T HA 0.095 4.443 4.350 -0.003 0.000 0.266 28 T C 1.990 176.642 174.700 -0.081 0.000 1.040 28 T CA 0.742 62.789 62.100 -0.088 0.000 1.141 28 T CB -0.335 68.176 68.868 -0.594 0.000 0.868 28 T HN 0.306 nan 8.240 nan 0.000 0.444 29 I N 1.422 121.937 120.570 -0.092 0.000 2.202 29 I HA -0.151 4.017 4.170 -0.003 0.000 0.242 29 I C 2.902 178.869 176.117 -0.250 0.000 1.091 29 I CA 1.028 62.259 61.300 -0.115 0.000 1.368 29 I CB -0.465 37.491 38.000 -0.074 0.000 1.058 29 I HN 0.172 nan 8.210 nan 0.000 0.410 30 A N 0.694 123.299 122.820 -0.359 0.000 1.948 30 A HA -0.261 4.057 4.320 -0.003 0.000 0.220 30 A C 2.482 179.871 177.584 -0.324 0.000 1.177 30 A CA 2.224 53.941 52.037 -0.534 0.000 0.636 30 A CB -0.874 17.845 19.000 -0.468 0.000 0.815 30 A HN 0.468 nan 8.150 nan 0.000 0.449 31 A N -0.492 122.175 122.820 -0.255 0.000 1.897 31 A HA -0.075 4.243 4.320 -0.003 0.000 0.215 31 A C 1.809 178.985 177.584 -0.679 0.000 1.181 31 A CA 1.861 53.646 52.037 -0.419 0.000 0.620 31 A CB -0.617 18.135 19.000 -0.414 0.000 0.821 31 A HN 0.568 nan 8.150 nan 0.000 0.443 32 D N -0.955 119.210 120.400 -0.392 0.000 2.092 32 D HA -0.179 4.459 4.640 -0.003 0.000 0.193 32 D C 2.088 178.280 176.300 -0.180 0.000 0.994 32 D CA 2.327 56.232 54.000 -0.158 0.000 0.828 32 D CB -0.209 40.654 40.800 0.104 0.000 0.963 32 D HN 0.355 nan 8.370 nan 0.000 0.450 33 T N -0.905 113.529 114.554 -0.200 0.000 2.652 33 T HA -0.227 4.121 4.350 -0.003 0.000 0.267 33 T C 2.017 176.681 174.700 -0.061 0.000 1.039 33 T CA 1.646 63.643 62.100 -0.172 0.000 1.153 33 T CB -0.620 68.082 68.868 -0.277 0.000 0.863 33 T HN 0.175 nan 8.240 nan 0.000 0.428 34 I N 1.782 122.338 120.570 -0.023 0.000 2.248 34 I HA -0.044 4.124 4.170 -0.003 0.000 0.248 34 I C 2.624 178.814 176.117 0.121 0.000 1.107 34 I CA 1.378 62.703 61.300 0.042 0.000 1.373 34 I CB -1.061 36.975 38.000 0.060 0.000 1.055 34 I HN 0.402 nan 8.210 nan 0.000 0.418 35 A N -0.115 122.721 122.820 0.027 0.000 1.930 35 A HA -0.175 4.143 4.320 -0.003 0.000 0.217 35 A C 2.448 180.132 177.584 0.168 0.000 1.175 35 A CA 1.427 53.547 52.037 0.139 0.000 0.627 35 A CB -0.554 18.413 19.000 -0.055 0.000 0.815 35 A HN 0.428 nan 8.150 nan 0.000 0.443 36 R N -2.212 118.330 120.500 0.070 0.000 2.115 36 R HA -0.116 4.222 4.340 -0.003 0.000 0.230 36 R C 2.062 178.420 176.300 0.097 0.000 1.111 36 R CA 1.459 57.599 56.100 0.066 0.000 0.976 36 R CB -0.460 29.737 30.300 -0.173 0.000 0.870 36 R HN 0.726 nan 8.270 nan 0.000 0.445 37 Y N 0.195 120.446 120.300 -0.081 0.000 2.097 37 Y HA -0.318 4.230 4.550 -0.003 0.000 0.282 37 Y C 1.614 177.353 175.900 -0.268 0.000 1.152 37 Y CA 1.708 59.689 58.100 -0.198 0.000 1.136 37 Y CB -0.286 37.939 38.460 -0.392 0.000 0.975 37 Y HN 0.001 nan 8.280 nan 0.000 0.498 38 Y N -0.501 119.770 120.300 -0.049 0.000 2.286 38 Y HA -0.067 4.481 4.550 -0.003 0.000 0.293 38 Y C 2.760 178.689 175.900 0.049 0.000 1.124 38 Y CA 1.343 59.321 58.100 -0.203 0.000 1.178 38 Y CB -0.424 37.779 38.460 -0.428 0.000 1.010 38 Y HN -0.031 nan 8.280 nan 0.000 0.536 39 R N 0.514 121.162 120.500 0.246 0.000 2.091 39 R HA -0.213 4.125 4.340 -0.003 0.000 0.238 39 R C 2.285 178.668 176.300 0.139 0.000 1.136 39 R CA 1.632 57.865 56.100 0.221 0.000 0.959 39 R CB -0.655 29.761 30.300 0.193 0.000 0.856 39 R HN 0.408 nan 8.270 nan 0.000 0.437 40 L N 0.895 122.153 121.223 0.059 0.000 2.127 40 L HA -0.167 4.171 4.340 -0.003 0.000 0.211 40 L C 1.366 178.238 176.870 0.004 0.000 1.089 40 L CA 1.409 56.230 54.840 -0.032 0.000 0.757 40 L CB -0.037 41.957 42.059 -0.108 0.000 0.899 40 L HN 0.111 nan 8.230 nan 0.000 0.434 41 R N 0.040 120.554 120.500 0.024 0.000 2.325 41 R HA -0.010 4.329 4.340 -0.003 0.000 0.214 41 R C 0.152 176.595 176.300 0.239 0.000 0.961 41 R CA 0.414 56.588 56.100 0.123 0.000 1.086 41 R CB -1.173 29.225 30.300 0.163 0.000 1.037 41 R HN 0.335 nan 8.270 nan 0.000 0.493 42 D N -0.822 119.702 120.400 0.207 0.000 2.907 42 D HA -0.209 4.429 4.640 -0.003 0.000 0.226 42 D C -1.106 175.296 176.300 0.170 0.000 1.141 42 D CA 0.623 54.715 54.000 0.155 0.000 0.779 42 D CB -1.413 39.429 40.800 0.069 0.000 1.095 42 D HN 0.189 nan 8.370 nan 0.000 0.430 43 Y N 0.570 120.965 120.300 0.158 0.000 2.307 43 Y HA 0.318 4.866 4.550 -0.003 0.000 0.324 43 Y C 1.119 177.143 175.900 0.207 0.000 1.238 43 Y CA -0.620 57.598 58.100 0.197 0.000 1.280 43 Y CB 0.691 39.316 38.460 0.275 0.000 1.248 43 Y HN -0.133 nan 8.280 nan 0.000 0.508 44 D N 2.207 122.818 120.400 0.352 0.000 2.435 44 D HA 0.185 4.823 4.640 -0.003 0.000 0.230 44 D C -1.034 175.538 176.300 0.454 0.000 1.215 44 D CA 0.112 54.322 54.000 0.351 0.000 0.947 44 D CB -0.099 40.883 40.800 0.303 0.000 1.048 44 D HN 0.177 nan 8.370 nan 0.000 0.512 45 V N 4.224 124.363 119.914 0.375 0.000 2.567 45 V HA 0.389 4.508 4.120 -0.003 0.000 0.289 45 V C -0.074 176.141 176.094 0.201 0.000 1.049 45 V CA -0.762 61.741 62.300 0.338 0.000 0.969 45 V CB 1.201 33.224 31.823 0.333 0.000 0.995 45 V HN 0.364 nan 8.190 nan 0.000 0.471 46 F N 5.307 125.256 119.950 -0.001 0.000 2.499 46 F HA 0.599 5.124 4.527 -0.003 0.000 0.333 46 F C -0.963 174.963 175.800 0.209 0.000 1.138 46 F CA -0.775 57.139 58.000 -0.144 0.000 0.945 46 F CB 1.447 40.013 39.000 -0.724 0.000 1.181 46 F HN 0.454 nan 8.300 nan 0.000 0.435 47 F N 8.466 128.351 119.950 -0.107 0.000 2.403 47 F HA 0.578 5.103 4.527 -0.003 0.000 0.355 47 F C -1.902 173.907 175.800 0.015 0.000 1.119 47 F CA -1.661 56.359 58.000 0.033 0.000 1.007 47 F CB 0.953 39.967 39.000 0.023 0.000 1.194 47 F HN 0.347 nan 8.300 nan 0.000 0.443 48 L N 5.119 126.647 121.223 0.508 0.000 2.331 48 L HA 0.814 5.152 4.340 -0.003 0.000 0.275 48 L C -0.460 176.372 176.870 -0.064 0.000 1.022 48 L CA 0.127 55.087 54.840 0.201 0.000 0.812 48 L CB 2.023 44.373 42.059 0.484 0.000 1.257 48 L HN 0.738 nan 8.230 nan 0.000 0.435 49 T N 2.088 116.414 114.554 -0.380 0.000 2.830 49 T HA 0.784 5.132 4.350 -0.003 0.000 0.322 49 T C -0.770 173.377 174.700 -0.921 0.000 1.501 49 T CA 0.097 61.845 62.100 -0.587 0.000 1.036 49 T CB 1.106 69.566 68.868 -0.681 0.000 1.379 49 T HN 1.101 nan 8.240 nan 0.000 0.493 50 G N 1.088 109.259 108.800 -1.047 0.000 2.435 50 G HA2 0.605 4.563 3.960 -0.003 0.000 0.296 50 G HA3 0.605 4.563 3.960 -0.003 0.000 0.296 50 G C -1.067 173.232 174.900 -1.003 0.000 1.240 50 G CA 0.147 44.375 45.100 -1.453 0.000 0.872 50 G HN 1.275 nan 8.290 nan 0.000 0.480 51 T N -1.475 112.647 114.554 -0.720 0.000 2.886 51 T HA 0.575 4.923 4.350 -0.003 0.000 0.292 51 T C -1.675 172.776 174.700 -0.415 0.000 1.012 51 T CA -0.580 61.221 62.100 -0.499 0.000 0.982 51 T CB 2.454 71.173 68.868 -0.249 0.000 1.018 51 T HN 0.346 nan 8.240 nan 0.000 0.451 52 D N 1.484 121.654 120.400 -0.383 0.000 2.494 52 D HA 0.206 4.844 4.640 -0.003 0.000 0.217 52 D C 0.911 177.145 176.300 -0.110 0.000 1.153 52 D CA -0.380 53.429 54.000 -0.319 0.000 0.954 52 D CB 0.554 41.101 40.800 -0.423 0.000 1.034 52 D HN 0.662 nan 8.370 nan 0.000 0.518 53 E N 1.579 121.667 120.200 -0.186 0.000 2.299 53 E HA -0.056 4.292 4.350 -0.003 0.000 0.193 53 E C 0.724 177.325 176.600 0.003 0.000 0.998 53 E CA 0.261 56.611 56.400 -0.084 0.000 0.851 53 E CB 0.342 29.982 29.700 -0.101 0.000 0.795 53 E HN 0.549 nan 8.360 nan 0.000 0.492 54 H N 0.290 119.364 119.070 0.006 0.000 2.136 54 H HA 0.398 4.952 4.556 -0.003 0.000 0.311 54 H C 1.040 176.412 175.328 0.074 0.000 1.737 54 H CA 1.103 57.068 56.048 -0.138 0.000 1.439 54 H CB 0.040 29.563 29.762 -0.399 0.000 1.733 54 H HN 0.193 nan 8.280 nan 0.000 0.637 55 G N -1.002 107.920 108.800 0.204 0.000 2.459 55 G HA2 -0.099 3.859 3.960 -0.003 0.000 0.685 55 G HA3 -0.099 3.859 3.960 -0.003 0.000 0.685 55 G C 0.026 175.078 174.900 0.253 0.000 1.303 55 G CA -0.073 45.135 45.100 0.179 0.000 0.907 55 G HN 0.527 nan 8.290 nan 0.000 0.632 56 L N 0.813 122.130 121.223 0.156 0.000 2.084 56 L HA 0.334 4.672 4.340 -0.003 0.000 0.202 56 L C 2.711 179.642 176.870 0.101 0.000 1.074 56 L CA 2.657 57.580 54.840 0.139 0.000 0.757 56 L CB -0.726 41.395 42.059 0.103 0.000 0.918 56 L HN 0.838 nan 8.230 nan 0.000 0.444 57 K N -0.130 120.306 120.400 0.059 0.000 2.001 57 K HA -0.283 4.035 4.320 -0.003 0.000 0.223 57 K C 2.125 178.738 176.600 0.022 0.000 1.055 57 K CA 2.478 58.779 56.287 0.022 0.000 0.965 57 K CB -0.610 31.872 32.500 -0.031 0.000 0.730 57 K HN 0.411 nan 8.250 nan 0.000 0.449 58 I N 1.548 122.137 120.570 0.032 0.000 2.623 58 I HA -0.284 3.884 4.170 -0.003 0.000 0.261 58 I C 2.064 178.158 176.117 -0.038 0.000 1.204 58 I CA 1.657 62.971 61.300 0.024 0.000 1.444 58 I CB -0.490 37.574 38.000 0.107 0.000 1.094 58 I HN 0.527 nan 8.210 nan 0.000 0.451 59 Q N 0.561 120.375 119.800 0.023 0.000 2.163 59 Q HA -0.207 4.131 4.340 -0.003 0.000 0.198 59 Q C 2.246 178.218 176.000 -0.046 0.000 0.954 59 Q CA 1.063 56.840 55.803 -0.043 0.000 0.851 59 Q CB 0.145 28.945 28.738 0.102 0.000 0.928 59 Q HN 0.499 nan 8.270 nan 0.000 0.459 60 K N 0.873 121.270 120.400 -0.006 0.000 1.991 60 K HA -0.166 4.152 4.320 -0.003 0.000 0.207 60 K C 2.128 178.714 176.600 -0.023 0.000 1.045 60 K CA 1.371 57.654 56.287 -0.007 0.000 0.937 60 K CB -0.122 32.386 32.500 0.013 0.000 0.720 60 K HN -0.052 nan 8.250 nan 0.000 0.438 61 K N 0.196 120.584 120.400 -0.020 0.000 2.286 61 K HA -0.148 4.170 4.320 -0.003 0.000 0.203 61 K C 1.736 178.307 176.600 -0.048 0.000 1.045 61 K CA 1.219 57.492 56.287 -0.024 0.000 0.935 61 K CB -0.116 32.376 32.500 -0.014 0.000 0.737 61 K HN 0.276 nan 8.250 nan 0.000 0.460 62 A N 0.965 123.737 122.820 -0.080 0.000 1.929 62 A HA -0.163 4.155 4.320 -0.003 0.000 0.216 62 A C 1.980 179.506 177.584 -0.097 0.000 1.176 62 A CA 1.513 53.477 52.037 -0.122 0.000 0.628 62 A CB -0.373 18.495 19.000 -0.219 0.000 0.816 62 A HN 0.572 nan 8.150 nan 0.000 0.444 63 E N -0.110 120.046 120.200 -0.074 0.000 2.112 63 E HA -0.150 4.198 4.350 -0.003 0.000 0.190 63 E C 1.814 178.391 176.600 -0.038 0.000 0.979 63 E CA 0.836 57.204 56.400 -0.054 0.000 0.814 63 E CB -0.104 29.573 29.700 -0.038 0.000 0.762 63 E HN 0.712 nan 8.360 nan 0.000 0.460 64 E N 0.637 120.819 120.200 -0.030 0.000 2.033 64 E HA -0.194 4.154 4.350 -0.003 0.000 0.199 64 E C 1.808 178.393 176.600 -0.025 0.000 1.011 64 E CA 1.188 57.575 56.400 -0.021 0.000 0.815 64 E CB -0.170 29.522 29.700 -0.014 0.000 0.755 64 E HN 0.324 nan 8.360 nan 0.000 0.451 65 L N 1.019 122.222 121.223 -0.032 0.000 2.762 65 L HA 0.088 4.426 4.340 -0.003 0.000 0.250 65 L C 0.817 177.663 176.870 -0.040 0.000 1.160 65 L CA -0.151 54.668 54.840 -0.034 0.000 0.951 65 L CB -0.920 41.116 42.059 -0.038 0.000 1.148 65 L HN 0.157 nan 8.230 nan 0.000 0.424 66 G N 2.434 111.210 108.800 -0.039 0.000 2.142 66 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.255 66 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.255 66 G C -0.018 174.852 174.900 -0.050 0.000 0.803 66 G CA 0.943 46.018 45.100 -0.041 0.000 1.195 66 G HN 0.609 nan 8.290 nan 0.000 0.366 67 I N -3.110 117.420 120.570 -0.067 0.000 3.149 67 I HA 0.688 4.856 4.170 -0.003 0.000 0.310 67 I C -0.031 176.018 176.117 -0.112 0.000 1.343 67 I CA -1.291 59.962 61.300 -0.078 0.000 0.955 67 I CB 1.596 39.551 38.000 -0.074 0.000 1.309 67 I HN 0.193 nan 8.210 nan 0.000 0.478 68 S N 2.247 117.877 115.700 -0.115 0.000 2.531 68 S HA 0.333 4.801 4.470 -0.003 0.000 0.279 68 S C -1.626 172.818 174.600 -0.260 0.000 1.305 68 S CA -0.775 57.329 58.200 -0.160 0.000 1.058 68 S CB 0.660 63.793 63.200 -0.111 0.000 0.899 68 S HN 0.549 nan 8.310 nan 0.000 0.493 69 P HA -0.143 nan 4.420 nan 0.000 0.216 69 P C 1.551 178.508 177.300 -0.573 0.000 1.150 69 P CA 0.825 63.465 63.100 -0.766 0.000 0.843 69 P CB 0.147 30.882 31.700 -1.609 0.000 0.787 70 K N 0.192 120.363 120.400 -0.381 0.000 1.987 70 K HA -0.184 4.134 4.320 -0.003 0.000 0.216 70 K C 1.929 178.489 176.600 -0.067 0.000 1.051 70 K CA 1.708 57.934 56.287 -0.101 0.000 0.942 70 K CB -0.971 31.524 32.500 -0.009 0.000 0.722 70 K HN 0.074 nan 8.250 nan 0.000 0.444 71 E N 0.973 121.124 120.200 -0.081 0.000 2.033 71 E HA -0.217 4.131 4.350 -0.003 0.000 0.199 71 E C 2.054 178.619 176.600 -0.059 0.000 1.011 71 E CA 0.979 57.345 56.400 -0.056 0.000 0.815 71 E CB -0.844 28.821 29.700 -0.059 0.000 0.755 71 E HN 0.217 nan 8.360 nan 0.000 0.451 72 L N 1.022 122.189 121.223 -0.092 0.000 2.064 72 L HA -0.198 4.140 4.340 -0.003 0.000 0.216 72 L C 2.290 179.139 176.870 -0.035 0.000 1.077 72 L CA 1.581 56.376 54.840 -0.075 0.000 0.766 72 L CB -0.645 41.346 42.059 -0.113 0.000 0.890 72 L HN -0.035 nan 8.230 nan 0.000 0.435 73 V N -0.352 119.544 119.914 -0.031 0.000 2.407 73 V HA -0.199 3.920 4.120 -0.003 0.000 0.245 73 V C 2.233 178.357 176.094 0.050 0.000 1.041 73 V CA 1.782 64.106 62.300 0.039 0.000 1.040 73 V CB -0.691 31.194 31.823 0.103 0.000 0.671 73 V HN 0.456 nan 8.190 nan 0.000 0.455 74 D N -0.149 120.270 120.400 0.031 0.000 2.144 74 D HA -0.182 4.456 4.640 -0.003 0.000 0.199 74 D C 2.207 178.514 176.300 0.012 0.000 0.984 74 D CA 1.276 55.294 54.000 0.029 0.000 0.834 74 D CB -0.134 40.678 40.800 0.019 0.000 0.955 74 D HN 0.360 nan 8.370 nan 0.000 0.465 75 R N 0.894 121.393 120.500 -0.002 0.000 2.070 75 R HA -0.084 4.254 4.340 -0.003 0.000 0.232 75 R C 1.793 178.086 176.300 -0.011 0.000 1.138 75 R CA 1.399 57.489 56.100 -0.017 0.000 0.936 75 R CB 0.036 30.320 30.300 -0.028 0.000 0.839 75 R HN 0.041 nan 8.270 nan 0.000 0.429 76 N N 0.256 118.967 118.700 0.017 0.000 2.354 76 N HA -0.063 4.676 4.740 -0.003 0.000 0.179 76 N C 1.526 177.114 175.510 0.130 0.000 1.021 76 N CA 1.096 54.170 53.050 0.040 0.000 0.887 76 N CB -0.109 38.420 38.487 0.069 0.000 0.974 76 N HN 0.345 nan 8.380 nan 0.000 0.437 77 A N 1.132 124.039 122.820 0.144 0.000 2.024 77 A HA -0.177 4.141 4.320 -0.003 0.000 0.220 77 A C 2.162 179.801 177.584 0.092 0.000 1.164 77 A CA 1.543 53.706 52.037 0.210 0.000 0.643 77 A CB -0.342 18.751 19.000 0.154 0.000 0.806 77 A HN 0.219 nan 8.150 nan 0.000 0.451 78 E N 0.075 120.271 120.200 -0.006 0.000 2.216 78 E HA -0.093 4.255 4.350 -0.003 0.000 0.192 78 E C 2.135 178.662 176.600 -0.123 0.000 0.988 78 E CA 0.723 57.065 56.400 -0.097 0.000 0.834 78 E CB -0.151 29.502 29.700 -0.078 0.000 0.772 78 E HN 0.510 nan 8.360 nan 0.000 0.479 79 R N -0.300 120.131 120.500 -0.115 0.000 2.083 79 R HA -0.165 4.173 4.340 -0.003 0.000 0.237 79 R C 2.209 178.296 176.300 -0.354 0.000 1.137 79 R CA 1.475 57.438 56.100 -0.227 0.000 0.951 79 R CB -0.898 29.213 30.300 -0.315 0.000 0.851 79 R HN 0.292 nan 8.270 nan 0.000 0.434 80 F N 1.588 121.354 119.950 -0.306 0.000 2.102 80 F HA -0.122 4.404 4.527 -0.003 0.000 0.298 80 F C 2.543 177.899 175.800 -0.738 0.000 1.105 80 F CA 1.400 59.067 58.000 -0.556 0.000 1.239 80 F CB -0.289 38.630 39.000 -0.135 0.000 0.991 80 F HN -0.060 nan 8.300 nan 0.000 0.474 81 K N 0.013 120.181 120.400 -0.385 0.000 2.063 81 K HA -0.181 4.137 4.320 -0.003 0.000 0.208 81 K C 2.071 178.587 176.600 -0.141 0.000 1.048 81 K CA 1.160 57.220 56.287 -0.379 0.000 0.928 81 K CB -0.193 32.008 32.500 -0.499 0.000 0.713 81 K HN 0.105 nan 8.250 nan 0.000 0.442 82 K N 0.942 121.252 120.400 -0.149 0.000 2.097 82 K HA -0.126 4.192 4.320 -0.003 0.000 0.206 82 K C 2.148 178.771 176.600 0.038 0.000 1.049 82 K CA 0.755 57.026 56.287 -0.027 0.000 0.933 82 K CB -0.433 32.049 32.500 -0.028 0.000 0.717 82 K HN 0.088 nan 8.250 nan 0.000 0.442 83 L N 0.113 121.234 121.223 -0.171 0.000 2.017 83 L HA -0.106 4.232 4.340 -0.003 0.000 0.208 83 L C 2.042 178.939 176.870 0.045 0.000 1.073 83 L CA 1.679 56.347 54.840 -0.287 0.000 0.745 83 L CB -0.793 40.820 42.059 -0.742 0.000 0.894 83 L HN 0.246 nan 8.230 nan 0.000 0.432 84 W N 0.127 121.521 121.300 0.157 0.000 2.342 84 W HA -0.241 4.418 4.660 -0.003 0.000 0.297 84 W C 2.576 179.194 176.519 0.166 0.000 1.213 84 W CA 0.795 58.268 57.345 0.212 0.000 1.251 84 W CB -0.187 29.503 29.460 0.383 0.000 1.136 84 W HN 0.330 nan 8.180 nan 0.000 0.526 85 E N 0.474 120.884 120.200 0.351 0.000 2.051 85 E HA -0.263 4.085 4.350 -0.003 0.000 0.192 85 E C 1.999 178.731 176.600 0.220 0.000 0.991 85 E CA 1.417 57.949 56.400 0.220 0.000 0.799 85 E CB -0.458 29.335 29.700 0.156 0.000 0.748 85 E HN 0.252 nan 8.360 nan 0.000 0.449 86 F N 1.230 121.245 119.950 0.109 0.000 2.134 86 F HA -0.098 4.427 4.527 -0.003 0.000 0.299 86 F C 1.783 177.631 175.800 0.080 0.000 1.097 86 F CA 1.205 59.266 58.000 0.102 0.000 1.264 86 F CB -0.080 39.011 39.000 0.152 0.000 1.001 86 F HN -0.005 nan 8.300 nan 0.000 0.479 87 L N 0.721 122.009 121.223 0.108 0.000 2.610 87 L HA -0.037 4.301 4.340 -0.003 0.000 0.232 87 L C 0.508 177.389 176.870 0.018 0.000 1.149 87 L CA 0.430 55.278 54.840 0.014 0.000 0.872 87 L CB -0.783 41.405 42.059 0.215 0.000 0.992 87 L HN 0.110 nan 8.230 nan 0.000 0.447 88 K N 1.220 121.642 120.400 0.036 0.000 3.419 88 K HA -0.176 4.142 4.320 -0.003 0.000 0.272 88 K C -0.482 176.153 176.600 0.058 0.000 0.973 88 K CA 0.349 56.653 56.287 0.028 0.000 0.749 88 K CB -1.304 31.182 32.500 -0.023 0.000 1.403 88 K HN 0.175 nan 8.250 nan 0.000 0.456 89 I N 1.836 122.478 120.570 0.119 0.000 2.325 89 I HA 0.068 4.236 4.170 -0.003 0.000 0.291 89 I C 0.862 176.989 176.117 0.018 0.000 1.019 89 I CA 0.067 61.443 61.300 0.127 0.000 1.302 89 I CB 1.138 39.253 38.000 0.192 0.000 1.401 89 I HN 0.181 nan 8.210 nan 0.000 0.485 90 E N 7.141 127.370 120.200 0.049 0.000 2.069 90 E HA 0.160 4.508 4.350 -0.003 0.000 0.254 90 E C -0.794 175.786 176.600 -0.033 0.000 1.088 90 E CA -0.352 56.017 56.400 -0.052 0.000 1.017 90 E CB 0.181 29.896 29.700 0.025 0.000 1.226 90 E HN 0.462 nan 8.360 nan 0.000 0.458 91 Y N -1.528 118.616 120.300 -0.260 0.000 2.392 91 Y HA 0.359 4.907 4.550 -0.003 0.000 0.323 91 Y C 1.230 176.922 175.900 -0.348 0.000 1.291 91 Y CA -0.861 56.857 58.100 -0.636 0.000 1.345 91 Y CB 0.332 38.066 38.460 -1.211 0.000 1.320 91 Y HN -0.122 nan 8.280 nan 0.000 0.518 92 T N -0.481 113.972 114.554 -0.167 0.000 2.939 92 T HA 0.097 4.445 4.350 -0.003 0.000 0.254 92 T C 0.122 174.711 174.700 -0.184 0.000 1.041 92 T CA 0.929 62.818 62.100 -0.352 0.000 1.142 92 T CB -0.060 68.234 68.868 -0.957 0.000 0.874 92 T HN 0.620 nan 8.240 nan 0.000 0.452 93 K N -0.229 120.152 120.400 -0.033 0.000 2.532 93 K HA 0.478 4.796 4.320 -0.003 0.000 0.265 93 K C -2.286 174.338 176.600 0.041 0.000 0.948 93 K CA -0.835 55.505 56.287 0.089 0.000 0.842 93 K CB 1.807 34.326 32.500 0.031 0.000 1.392 93 K HN 0.050 nan 8.250 nan 0.000 0.436 94 F N 5.289 125.209 119.950 -0.050 0.000 2.382 94 F HA 0.454 4.979 4.527 -0.003 0.000 0.361 94 F C -0.814 174.910 175.800 -0.127 0.000 1.109 94 F CA -0.749 57.135 58.000 -0.193 0.000 1.031 94 F CB 0.692 39.628 39.000 -0.107 0.000 1.234 94 F HN 0.413 nan 8.300 nan 0.000 0.445 95 I N 6.387 126.765 120.570 -0.320 0.000 2.498 95 I HA 0.535 4.703 4.170 -0.003 0.000 0.301 95 I C -0.921 175.005 176.117 -0.318 0.000 0.984 95 I CA -0.751 60.411 61.300 -0.229 0.000 1.204 95 I CB 0.932 38.785 38.000 -0.245 0.000 1.362 95 I HN 0.603 nan 8.210 nan 0.000 0.471 96 R N 3.461 123.852 120.500 -0.182 0.000 2.599 96 R HA 0.262 4.600 4.340 -0.003 0.000 0.295 96 R C 0.575 176.714 176.300 -0.268 0.000 0.963 96 R CA -0.466 55.523 56.100 -0.184 0.000 0.883 96 R CB 1.636 31.929 30.300 -0.012 0.000 1.171 96 R HN 0.711 nan 8.270 nan 0.000 0.450 97 T N -2.719 111.607 114.554 -0.379 0.000 3.228 97 T HA -0.108 4.240 4.350 -0.003 0.000 0.261 97 T C 1.245 175.872 174.700 -0.121 0.000 1.171 97 T CA 1.166 63.032 62.100 -0.391 0.000 1.056 97 T CB -0.391 68.267 68.868 -0.350 0.000 0.938 97 T HN 0.735 nan 8.240 nan 0.000 0.539 98 T N -2.764 111.721 114.554 -0.115 0.000 3.044 98 T HA 0.179 4.527 4.350 -0.003 0.000 0.260 98 T C 0.106 174.876 174.700 0.116 0.000 1.019 98 T CA -0.592 61.511 62.100 0.004 0.000 0.921 98 T CB -0.005 68.868 68.868 0.008 0.000 1.053 98 T HN 0.188 nan 8.240 nan 0.000 0.533 99 D N 3.656 124.126 120.400 0.117 0.000 2.458 99 D HA 0.138 4.776 4.640 -0.003 0.000 0.243 99 D C -1.494 174.987 176.300 0.301 0.000 1.146 99 D CA -1.642 52.475 54.000 0.196 0.000 0.877 99 D CB 1.661 42.541 40.800 0.132 0.000 1.176 99 D HN 0.093 nan 8.370 nan 0.000 0.461 100 P HA -0.216 nan 4.420 nan 0.000 0.214 100 P C 1.093 178.514 177.300 0.202 0.000 1.169 100 P CA 1.431 64.649 63.100 0.196 0.000 0.908 100 P CB -0.041 31.704 31.700 0.074 0.000 0.791 101 Y N -1.633 118.723 120.300 0.094 0.000 2.132 101 Y HA -0.291 4.257 4.550 -0.003 0.000 0.280 101 Y C 2.688 178.672 175.900 0.141 0.000 1.193 101 Y CA 1.782 59.946 58.100 0.107 0.000 1.157 101 Y CB -2.036 36.483 38.460 0.098 0.000 0.966 101 Y HN 0.201 nan 8.280 nan 0.000 0.511 102 H N 0.067 119.286 119.070 0.247 0.000 2.261 102 H HA -0.137 4.417 4.556 -0.003 0.000 0.301 102 H C 2.483 177.906 175.328 0.159 0.000 1.067 102 H CA 2.421 58.561 56.048 0.154 0.000 1.297 102 H CB -0.724 29.078 29.762 0.066 0.000 1.377 102 H HN 0.128 nan 8.280 nan 0.000 0.492 103 V N 0.318 120.250 119.914 0.030 0.000 2.380 103 V HA -0.267 3.851 4.120 -0.003 0.000 0.251 103 V C 1.985 178.025 176.094 -0.091 0.000 1.063 103 V CA 2.414 64.668 62.300 -0.076 0.000 1.055 103 V CB -0.562 31.262 31.823 0.002 0.000 0.657 103 V HN 0.411 nan 8.190 nan 0.000 0.455 104 K N -0.542 119.845 120.400 -0.021 0.000 2.057 104 K HA -0.053 4.265 4.320 -0.003 0.000 0.206 104 K C 1.989 178.570 176.600 -0.033 0.000 1.050 104 K CA 1.886 58.153 56.287 -0.033 0.000 0.935 104 K CB -0.426 32.065 32.500 -0.016 0.000 0.715 104 K HN 0.600 nan 8.250 nan 0.000 0.439 105 F N 1.222 121.101 119.950 -0.119 0.000 2.146 105 F HA -0.213 4.312 4.527 -0.003 0.000 0.298 105 F C 1.873 177.553 175.800 -0.201 0.000 1.096 105 F CA 1.029 58.957 58.000 -0.119 0.000 1.275 105 F CB -0.000 38.954 39.000 -0.076 0.000 1.008 105 F HN -0.272 nan 8.300 nan 0.000 0.480 106 V N 0.322 120.190 119.914 -0.077 0.000 2.407 106 V HA -0.320 3.798 4.120 -0.003 0.000 0.248 106 V C 2.187 178.220 176.094 -0.102 0.000 1.055 106 V CA 2.174 64.391 62.300 -0.138 0.000 1.049 106 V CB -0.838 30.880 31.823 -0.175 0.000 0.662 106 V HN 0.415 nan 8.190 nan 0.000 0.455 107 Q N -0.189 119.528 119.800 -0.138 0.000 2.049 107 Q HA -0.168 4.170 4.340 -0.003 0.000 0.198 107 Q C 2.391 178.352 176.000 -0.065 0.000 0.971 107 Q CA 1.296 57.031 55.803 -0.114 0.000 0.833 107 Q CB -0.188 28.461 28.738 -0.149 0.000 0.896 107 Q HN 0.612 nan 8.270 nan 0.000 0.434 108 K N 0.218 120.526 120.400 -0.153 0.000 2.032 108 K HA -0.135 4.183 4.320 -0.003 0.000 0.209 108 K C 2.131 178.611 176.600 -0.199 0.000 1.048 108 K CA 1.360 57.544 56.287 -0.171 0.000 0.927 108 K CB -0.285 32.059 32.500 -0.260 0.000 0.712 108 K HN 0.009 nan 8.250 nan 0.000 0.441 109 V N 1.112 120.808 119.914 -0.363 0.000 2.407 109 V HA -0.234 3.884 4.120 -0.003 0.000 0.248 109 V C 1.966 177.980 176.094 -0.133 0.000 1.055 109 V CA 1.574 63.657 62.300 -0.361 0.000 1.049 109 V CB -0.442 30.952 31.823 -0.716 0.000 0.662 109 V HN 0.221 nan 8.190 nan 0.000 0.455 110 F N 1.086 120.936 119.950 -0.167 0.000 2.095 110 F HA -0.229 4.297 4.527 -0.003 0.000 0.298 110 F C 2.464 178.227 175.800 -0.061 0.000 1.104 110 F CA 2.434 60.342 58.000 -0.152 0.000 1.232 110 F CB -0.187 38.626 39.000 -0.312 0.000 0.987 110 F HN 0.227 nan 8.300 nan 0.000 0.475 111 E N -0.199 120.066 120.200 0.108 0.000 2.072 111 E HA -0.272 4.076 4.350 -0.003 0.000 0.191 111 E C 2.146 178.795 176.600 0.083 0.000 0.985 111 E CA 1.180 57.703 56.400 0.204 0.000 0.801 111 E CB -0.218 29.634 29.700 0.253 0.000 0.750 111 E HN 0.378 nan 8.360 nan 0.000 0.452 112 E N 0.334 120.533 120.200 -0.001 0.000 2.097 112 E HA -0.198 4.150 4.350 -0.003 0.000 0.196 112 E C 1.873 178.456 176.600 -0.029 0.000 1.000 112 E CA 1.635 58.018 56.400 -0.027 0.000 0.804 112 E CB -0.583 29.080 29.700 -0.063 0.000 0.740 112 E HN 0.345 nan 8.360 nan 0.000 0.454 113 C N -0.180 119.093 119.300 -0.046 0.000 2.440 113 C HA -0.061 4.397 4.460 -0.003 0.000 0.278 113 C C 2.407 177.396 174.990 -0.001 0.000 1.295 113 C CA 0.747 59.766 59.018 0.002 0.000 1.738 113 C CB -1.278 26.474 27.740 0.020 0.000 1.987 113 C HN 0.564 nan 8.230 nan 0.000 0.492 114 Y N 2.091 122.275 120.300 -0.192 0.000 2.089 114 Y HA -0.180 4.368 4.550 -0.003 0.000 0.282 114 Y C 2.433 178.276 175.900 -0.095 0.000 1.139 114 Y CA 1.751 59.761 58.100 -0.150 0.000 1.123 114 Y CB -0.541 37.833 38.460 -0.142 0.000 0.980 114 Y HN 0.196 nan 8.280 nan 0.000 0.493 115 K N -0.046 120.276 120.400 -0.131 0.000 2.113 115 K HA -0.218 4.100 4.320 -0.003 0.000 0.208 115 K C 2.046 178.537 176.600 -0.182 0.000 1.047 115 K CA 1.830 57.996 56.287 -0.202 0.000 0.928 115 K CB -0.224 32.229 32.500 -0.078 0.000 0.716 115 K HN 0.366 nan 8.250 nan 0.000 0.446 116 R N -0.659 119.776 120.500 -0.107 0.000 2.316 116 R HA -0.035 4.303 4.340 -0.003 0.000 0.202 116 R C 1.183 177.437 176.300 -0.077 0.000 1.029 116 R CA 0.685 56.745 56.100 -0.066 0.000 1.018 116 R CB 0.138 30.433 30.300 -0.009 0.000 0.888 116 R HN 0.455 nan 8.270 nan 0.000 0.471 117 G N 0.969 109.687 108.800 -0.136 0.000 2.157 117 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.248 117 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.248 117 G C 0.351 175.244 174.900 -0.013 0.000 0.979 117 G CA 0.353 45.385 45.100 -0.113 0.000 0.650 117 G HN 0.309 nan 8.290 nan 0.000 0.529 118 D N -0.107 120.311 120.400 0.029 0.000 2.349 118 D HA 0.177 4.815 4.640 -0.003 0.000 0.215 118 D C 0.812 177.169 176.300 0.094 0.000 1.016 118 D CA 0.481 54.511 54.000 0.050 0.000 0.870 118 D CB 0.435 41.331 40.800 0.159 0.000 0.917 118 D HN 0.353 nan 8.370 nan 0.000 0.524 119 I N 1.624 122.279 120.570 0.142 0.000 2.439 119 I HA 0.189 4.357 4.170 -0.003 0.000 0.285 119 I C -0.644 175.702 176.117 0.383 0.000 1.021 119 I CA -0.933 60.473 61.300 0.176 0.000 1.091 119 I CB 1.002 38.976 38.000 -0.044 0.000 1.242 119 I HN -0.123 nan 8.210 nan 0.000 0.439 120 Y N 4.987 125.493 120.300 0.344 0.000 2.536 120 Y HA 0.717 5.265 4.550 -0.003 0.000 0.347 120 Y C -1.053 175.135 175.900 0.480 0.000 1.000 120 Y CA -1.344 56.988 58.100 0.387 0.000 1.051 120 Y CB 1.577 40.146 38.460 0.182 0.000 1.259 120 Y HN 0.439 nan 8.280 nan 0.000 0.468 121 L N 3.346 124.916 121.223 0.579 0.000 2.319 121 L HA 0.734 5.073 4.340 -0.003 0.000 0.280 121 L C 0.142 177.167 176.870 0.258 0.000 1.099 121 L CA 0.296 55.188 54.840 0.088 0.000 0.828 121 L CB 0.478 42.414 42.059 -0.206 0.000 1.150 121 L HN 1.106 nan 8.230 nan 0.000 0.442 122 G N 3.634 112.570 108.800 0.226 0.000 3.137 122 G HA2 0.428 4.386 3.960 -0.003 0.000 0.196 122 G HA3 0.428 4.386 3.960 -0.003 0.000 0.196 122 G C -1.590 173.428 174.900 0.197 0.000 1.135 122 G CA -0.319 44.899 45.100 0.196 0.000 0.803 122 G HN 0.508 nan 8.290 nan 0.000 0.619 123 E N -1.421 118.880 120.200 0.168 0.000 2.304 123 E HA 0.453 4.801 4.350 -0.003 0.000 0.277 123 E C -1.689 175.106 176.600 0.324 0.000 0.898 123 E CA -0.670 55.867 56.400 0.229 0.000 0.764 123 E CB 2.392 32.153 29.700 0.102 0.000 1.216 123 E HN 0.386 nan 8.360 nan 0.000 0.419 124 Y N 2.451 122.928 120.300 0.294 0.000 2.230 124 Y HA 0.416 4.964 4.550 -0.003 0.000 0.354 124 Y C 0.233 176.219 175.900 0.143 0.000 1.343 124 Y CA 0.042 58.319 58.100 0.296 0.000 1.693 124 Y CB 0.827 39.411 38.460 0.208 0.000 1.553 124 Y HN 0.684 nan 8.280 nan 0.000 0.599 159 E N 1.045 121.331 120.200 0.143 0.000 3.969 159 E HA 0.105 4.453 4.350 -0.003 0.000 0.392 159 E C -3.083 173.619 176.600 0.170 0.000 1.040 159 E CA -0.836 55.653 56.400 0.149 0.000 0.784 159 E CB 1.239 31.035 29.700 0.161 0.000 1.278 159 E HN -0.195 nan 8.360 nan 0.000 0.515 160 P HA 0.100 nan 4.420 nan 0.000 0.271 160 P C -1.169 176.173 177.300 0.070 0.000 1.233 160 P CA 0.288 63.462 63.100 0.123 0.000 0.764 160 P CB 0.786 32.558 31.700 0.119 0.000 0.825 161 S N 2.454 118.155 115.700 0.002 0.000 2.588 161 S HA 0.558 5.026 4.470 -0.003 0.000 0.275 161 S C -1.180 173.260 174.600 -0.267 0.000 1.130 161 S CA -0.819 57.238 58.200 -0.240 0.000 0.855 161 S CB 0.725 63.764 63.200 -0.267 0.000 1.116 161 S HN 0.132 nan 8.310 nan 0.000 0.472 162 Y N 0.604 120.706 120.300 -0.329 0.000 2.301 162 Y HA 0.650 5.198 4.550 -0.003 0.000 0.325 162 Y C -0.186 175.480 175.900 -0.389 0.000 1.203 162 Y CA -0.187 57.814 58.100 -0.166 0.000 1.255 162 Y CB 0.686 39.083 38.460 -0.105 0.000 1.232 162 Y HN 0.633 nan 8.280 nan 0.000 0.501 163 F N 1.465 121.279 119.950 -0.227 0.000 2.639 163 F HA 0.493 5.019 4.527 -0.003 0.000 0.339 163 F C -0.914 174.766 175.800 -0.200 0.000 1.071 163 F CA -1.473 56.328 58.000 -0.333 0.000 0.994 163 F CB 1.227 39.807 39.000 -0.699 0.000 1.341 163 F HN 0.238 nan 8.300 nan 0.000 0.498 164 F N 1.476 121.458 119.950 0.053 0.000 2.507 164 F HA 0.459 4.985 4.527 -0.003 0.000 0.325 164 F C 0.574 176.545 175.800 0.284 0.000 1.116 164 F CA -1.118 56.976 58.000 0.157 0.000 0.930 164 F CB 1.309 40.471 39.000 0.270 0.000 1.146 164 F HN 0.354 nan 8.300 nan 0.000 0.447 165 R N 6.070 126.308 120.500 -0.436 0.000 4.218 165 R HA -0.027 4.311 4.340 -0.003 0.000 0.208 165 R C 1.390 177.603 176.300 -0.145 0.000 2.100 165 R CA -0.035 55.976 56.100 -0.148 0.000 1.727 165 R CB -0.779 29.474 30.300 -0.078 0.000 1.186 165 R HN 0.707 nan 8.270 nan 0.000 0.645 166 L N 1.402 122.633 121.223 0.013 0.000 2.197 166 L HA -0.249 4.089 4.340 -0.003 0.000 0.215 166 L C 2.002 179.059 176.870 0.311 0.000 1.095 166 L CA 2.030 57.100 54.840 0.384 0.000 0.764 166 L CB -0.459 41.905 42.059 0.509 0.000 0.897 166 L HN 0.290 nan 8.230 nan 0.000 0.436 167 S N -2.056 113.754 115.700 0.182 0.000 2.547 167 S HA -0.125 4.343 4.470 -0.003 0.000 0.235 167 S C 1.635 176.258 174.600 0.038 0.000 0.980 167 S CA 0.729 58.993 58.200 0.107 0.000 0.941 167 S CB -0.490 62.755 63.200 0.075 0.000 0.763 167 S HN 0.580 nan 8.310 nan 0.000 0.532 168 K N -0.273 120.125 120.400 -0.004 0.000 2.374 168 K HA 0.198 4.516 4.320 -0.003 0.000 0.196 168 K C -0.129 176.260 176.600 -0.351 0.000 1.023 168 K CA 0.158 56.321 56.287 -0.206 0.000 1.103 168 K CB 0.134 32.430 32.500 -0.341 0.000 0.848 168 K HN 0.497 nan 8.250 nan 0.000 0.528 169 Y N 0.392 120.706 120.300 0.023 0.000 2.531 169 Y HA 0.117 4.665 4.550 -0.003 0.000 0.249 169 Y C 2.116 178.020 175.900 0.006 0.000 1.168 169 Y CA -0.335 57.786 58.100 0.035 0.000 1.226 169 Y CB 0.329 38.858 38.460 0.114 0.000 1.177 169 Y HN 0.056 nan 8.280 nan 0.000 0.527 170 Q N 0.907 120.769 119.800 0.104 0.000 2.135 170 Q HA -0.206 4.132 4.340 -0.003 0.000 0.204 170 Q C 0.730 176.725 176.000 -0.008 0.000 0.981 170 Q CA 2.121 57.951 55.803 0.046 0.000 0.856 170 Q CB 0.142 28.889 28.738 0.015 0.000 0.902 170 Q HN 0.484 nan 8.270 nan 0.000 0.425 171 D N -0.387 119.998 120.400 -0.026 0.000 2.240 171 D HA -0.035 4.603 4.640 -0.003 0.000 0.206 171 D C 1.590 177.848 176.300 -0.069 0.000 0.963 171 D CA 0.531 54.502 54.000 -0.049 0.000 0.863 171 D CB 0.142 40.913 40.800 -0.050 0.000 0.973 171 D HN 0.234 nan 8.370 nan 0.000 0.501 172 K N 0.762 121.132 120.400 -0.050 0.000 2.057 172 K HA -0.023 4.295 4.320 -0.003 0.000 0.206 172 K C 2.336 178.849 176.600 -0.144 0.000 1.050 172 K CA 0.544 56.798 56.287 -0.055 0.000 0.935 172 K CB -0.040 32.478 32.500 0.029 0.000 0.715 172 K HN 0.066 nan 8.250 nan 0.000 0.439 173 L N 0.943 122.064 121.223 -0.169 0.000 2.042 173 L HA -0.221 4.117 4.340 -0.003 0.000 0.210 173 L C 2.316 178.727 176.870 -0.765 0.000 1.076 173 L CA 1.199 55.766 54.840 -0.455 0.000 0.749 173 L CB -0.432 41.455 42.059 -0.286 0.000 0.893 173 L HN 0.202 nan 8.230 nan 0.000 0.432 174 L N -0.608 120.397 121.223 -0.364 0.000 2.083 174 L HA -0.217 4.121 4.340 -0.003 0.000 0.209 174 L C 2.590 179.370 176.870 -0.149 0.000 1.083 174 L CA 1.208 55.931 54.840 -0.194 0.000 0.752 174 L CB -0.458 41.577 42.059 -0.040 0.000 0.899 174 L HN 0.351 nan 8.230 nan 0.000 0.433 175 E N 0.421 120.529 120.200 -0.153 0.000 2.150 175 E HA -0.243 4.105 4.350 -0.003 0.000 0.193 175 E C 2.186 178.716 176.600 -0.118 0.000 0.985 175 E CA 0.818 57.159 56.400 -0.098 0.000 0.814 175 E CB 0.093 29.744 29.700 -0.082 0.000 0.752 175 E HN 0.314 nan 8.360 nan 0.000 0.466 176 L N 0.293 121.376 121.223 -0.232 0.000 2.027 176 L HA -0.184 4.154 4.340 -0.003 0.000 0.206 176 L C 1.929 178.755 176.870 -0.072 0.000 1.074 176 L CA 1.767 56.464 54.840 -0.239 0.000 0.745 176 L CB -0.872 40.931 42.059 -0.427 0.000 0.898 176 L HN 0.234 nan 8.230 nan 0.000 0.433 177 Y N -0.654 119.630 120.300 -0.026 0.000 2.274 177 Y HA -0.199 4.349 4.550 -0.003 0.000 0.290 177 Y C 2.727 178.642 175.900 0.025 0.000 1.145 177 Y CA 0.932 59.054 58.100 0.037 0.000 1.203 177 Y CB -0.133 38.364 38.460 0.060 0.000 0.984 177 Y HN 0.396 nan 8.280 nan 0.000 0.533 178 E N 1.179 121.462 120.200 0.138 0.000 2.060 178 E HA -0.171 4.177 4.350 -0.003 0.000 0.189 178 E C 2.072 178.704 176.600 0.053 0.000 0.974 178 E CA 0.584 57.035 56.400 0.084 0.000 0.808 178 E CB 0.007 29.737 29.700 0.050 0.000 0.768 178 E HN 0.355 nan 8.360 nan 0.000 0.453 179 K N 0.200 120.616 120.400 0.027 0.000 2.026 179 K HA -0.060 4.258 4.320 -0.003 0.000 0.208 179 K C 0.353 176.969 176.600 0.027 0.000 1.048 179 K CA 0.978 57.273 56.287 0.013 0.000 0.929 179 K CB 0.104 32.597 32.500 -0.012 0.000 0.713 179 K HN 0.001 nan 8.250 nan 0.000 0.439 180 N N 1.280 120.004 118.700 0.041 0.000 2.936 180 N HA 0.129 4.867 4.740 -0.003 0.000 0.243 180 N C -2.412 173.172 175.510 0.124 0.000 1.149 180 N CA -1.152 51.938 53.050 0.068 0.000 0.914 180 N CB 1.662 40.179 38.487 0.050 0.000 1.179 180 N HN 0.071 nan 8.380 nan 0.000 0.502 181 P HA -0.132 nan 4.420 nan 0.000 0.216 181 P C 0.672 178.017 177.300 0.075 0.000 1.153 181 P CA 1.286 64.437 63.100 0.085 0.000 0.858 181 P CB 0.385 32.114 31.700 0.048 0.000 0.789 182 E N -2.181 118.062 120.200 0.071 0.000 2.463 182 E HA -0.046 4.302 4.350 -0.003 0.000 0.191 182 E C 1.203 177.844 176.600 0.068 0.000 1.083 182 E CA -0.178 56.245 56.400 0.037 0.000 0.872 182 E CB -0.561 29.155 29.700 0.027 0.000 0.966 182 E HN 0.268 nan 8.360 nan 0.000 0.491 183 F N 1.483 121.426 119.950 -0.012 0.000 2.102 183 F HA -0.060 4.465 4.527 -0.003 0.000 0.298 183 F C 0.884 176.656 175.800 -0.046 0.000 1.105 183 F CA 1.030 59.033 58.000 0.006 0.000 1.239 183 F CB 0.252 39.306 39.000 0.090 0.000 0.991 183 F HN -0.199 nan 8.300 nan 0.000 0.474 184 I N 0.877 121.356 120.570 -0.152 0.000 2.359 184 I HA 0.166 4.334 4.170 -0.003 0.000 0.294 184 I C 0.819 176.734 176.117 -0.337 0.000 0.987 184 I CA -0.600 60.488 61.300 -0.353 0.000 1.225 184 I CB 1.562 39.366 38.000 -0.328 0.000 1.366 184 I HN 0.094 nan 8.210 nan 0.000 0.466 185 Q N 5.211 124.707 119.800 -0.506 0.000 2.389 185 Q HA 0.216 4.554 4.340 -0.003 0.000 0.201 185 Q C -1.826 173.753 176.000 -0.702 0.000 0.956 185 Q CA 0.332 55.793 55.803 -0.570 0.000 0.871 185 Q CB -0.725 27.636 28.738 -0.628 0.000 0.990 185 Q HN 0.380 nan 8.270 nan 0.000 0.554 186 P HA -0.024 nan 4.420 nan 0.000 0.254 186 P C -0.092 176.748 177.300 -0.768 0.000 1.186 186 P CA 0.250 62.783 63.100 -0.945 0.000 0.868 186 P CB 0.174 31.209 31.700 -1.108 0.000 0.856 187 D N 2.786 122.942 120.400 -0.407 0.000 2.268 187 D HA -0.260 4.378 4.640 -0.003 0.000 0.189 187 D C 1.760 177.971 176.300 -0.148 0.000 1.010 187 D CA 2.083 55.978 54.000 -0.175 0.000 0.862 187 D CB -0.827 39.986 40.800 0.022 0.000 0.943 187 D HN 0.598 nan 8.370 nan 0.000 0.451 188 Y N 0.094 120.326 120.300 -0.113 0.000 2.274 188 Y HA -0.037 4.511 4.550 -0.003 0.000 0.290 188 Y C 2.351 178.179 175.900 -0.120 0.000 1.145 188 Y CA 0.534 58.575 58.100 -0.098 0.000 1.203 188 Y CB -0.439 37.970 38.460 -0.085 0.000 0.984 188 Y HN -0.186 nan 8.280 nan 0.000 0.533 189 R N 1.066 121.276 120.500 -0.484 0.000 2.075 189 R HA -0.101 4.237 4.340 -0.003 0.000 0.232 189 R C 2.324 178.450 176.300 -0.290 0.000 1.126 189 R CA 1.450 57.324 56.100 -0.377 0.000 0.963 189 R CB -0.816 29.172 30.300 -0.518 0.000 0.858 189 R HN 0.469 nan 8.270 nan 0.000 0.435 190 R N 1.049 121.364 120.500 -0.309 0.000 2.082 190 R HA -0.098 4.240 4.340 -0.003 0.000 0.234 190 R C 1.762 177.947 176.300 -0.193 0.000 1.136 190 R CA 1.755 57.689 56.100 -0.278 0.000 0.935 190 R CB -0.209 29.956 30.300 -0.225 0.000 0.842 190 R HN 0.206 nan 8.270 nan 0.000 0.430 191 N N 0.908 119.542 118.700 -0.109 0.000 2.192 191 N HA -0.199 4.539 4.740 -0.003 0.000 0.188 191 N C 1.495 176.992 175.510 -0.023 0.000 1.013 191 N CA 1.626 54.653 53.050 -0.039 0.000 0.863 191 N CB -0.206 38.281 38.487 -0.000 0.000 0.990 191 N HN 0.498 nan 8.380 nan 0.000 0.430 192 E N 0.579 120.752 120.200 -0.044 0.000 2.051 192 E HA -0.070 4.278 4.350 -0.003 0.000 0.192 192 E C 2.016 178.626 176.600 0.018 0.000 0.991 192 E CA 0.724 57.114 56.400 -0.017 0.000 0.799 192 E CB -0.045 29.622 29.700 -0.054 0.000 0.748 192 E HN 0.383 nan 8.360 nan 0.000 0.449 193 I N 1.571 122.114 120.570 -0.044 0.000 2.406 193 I HA -0.143 4.025 4.170 -0.003 0.000 0.249 193 I C 2.433 178.602 176.117 0.086 0.000 1.122 193 I CA 0.538 61.857 61.300 0.030 0.000 1.431 193 I CB -0.215 37.703 38.000 -0.138 0.000 1.087 193 I HN 0.138 nan 8.210 nan 0.000 0.424 194 I N -2.303 118.250 120.570 -0.028 0.000 3.454 194 I HA -0.067 4.101 4.170 -0.003 0.000 0.297 194 I C 1.807 178.001 176.117 0.128 0.000 1.298 194 I CA 0.860 62.241 61.300 0.135 0.000 1.297 194 I CB -0.154 37.912 38.000 0.110 0.000 1.017 194 I HN 0.062 nan 8.210 nan 0.000 0.528 195 S N 0.268 116.035 115.700 0.112 0.000 2.741 195 S HA 0.087 4.555 4.470 -0.003 0.000 0.245 195 S C 1.405 176.076 174.600 0.119 0.000 1.083 195 S CA -0.321 57.936 58.200 0.095 0.000 0.873 195 S CB -0.365 62.880 63.200 0.076 0.000 0.814 195 S HN 0.555 nan 8.310 nan 0.000 0.476 196 F N 2.991 122.955 119.950 0.022 0.000 2.060 196 F HA 0.076 4.601 4.527 -0.003 0.000 0.295 196 F C 1.973 177.809 175.800 0.059 0.000 1.120 196 F CA 1.821 59.835 58.000 0.023 0.000 1.205 196 F CB -0.926 38.069 39.000 -0.008 0.000 0.986 196 F HN 0.048 nan 8.300 nan 0.000 0.470 197 V N 1.008 120.825 119.914 -0.161 0.000 2.392 197 V HA -0.294 3.824 4.120 -0.003 0.000 0.249 197 V C 1.685 177.702 176.094 -0.128 0.000 1.059 197 V CA 2.013 64.192 62.300 -0.202 0.000 1.051 197 V CB -0.836 31.088 31.823 0.169 0.000 0.658 197 V HN 0.265 nan 8.190 nan 0.000 0.455 198 K N 0.899 121.285 120.400 -0.022 0.000 2.449 198 K HA 0.019 4.337 4.320 -0.003 0.000 0.237 198 K C 0.649 177.226 176.600 -0.039 0.000 1.265 198 K CA 0.472 56.754 56.287 -0.009 0.000 1.193 198 K CB -0.263 32.260 32.500 0.037 0.000 1.515 198 K HN 0.694 nan 8.250 nan 0.000 0.259 199 Q N -1.115 118.635 119.800 -0.083 0.000 1.276 199 Q HA 0.045 4.383 4.340 -0.003 0.000 0.120 199 Q C 0.034 175.978 176.000 -0.093 0.000 0.712 199 Q CA 0.316 56.078 55.803 -0.069 0.000 0.583 199 Q CB -0.609 28.103 28.738 -0.043 0.000 1.032 199 Q HN 0.384 nan 8.270 nan 0.000 0.318 200 G N 0.145 108.854 108.800 -0.151 0.000 3.046 200 G HA2 0.589 4.547 3.960 -0.003 0.000 0.137 200 G HA3 0.589 4.547 3.960 -0.003 0.000 0.137 200 G C -1.310 173.524 174.900 -0.109 0.000 1.207 200 G CA -0.095 44.929 45.100 -0.128 0.000 1.218 200 G HN 0.613 nan 8.290 nan 0.000 0.625 201 L N 0.385 121.544 121.223 -0.105 0.000 2.219 201 L HA -0.064 4.274 4.340 -0.003 0.000 0.644 201 L C -0.519 176.396 176.870 0.074 0.000 1.007 201 L CA 0.250 55.093 54.840 0.007 0.000 1.349 201 L CB -1.195 40.876 42.059 0.019 0.000 2.072 201 L HN 0.702 nan 8.230 nan 0.000 0.986 202 K N 2.330 122.804 120.400 0.124 0.000 2.221 202 K HA 0.373 4.691 4.320 -0.003 0.000 0.258 202 K C -0.110 176.616 176.600 0.211 0.000 0.944 202 K CA -1.040 55.333 56.287 0.142 0.000 0.823 202 K CB 1.603 34.186 32.500 0.137 0.000 1.113 202 K HN 0.322 nan 8.250 nan 0.000 0.431 203 D N 2.231 122.766 120.400 0.225 0.000 2.795 203 D HA -0.165 4.473 4.640 -0.003 0.000 0.221 203 D C -0.210 176.332 176.300 0.404 0.000 1.108 203 D CA 0.617 54.805 54.000 0.312 0.000 0.832 203 D CB 0.443 41.441 40.800 0.330 0.000 1.183 203 D HN 0.174 nan 8.370 nan 0.000 0.503 204 L N 1.536 122.987 121.223 0.381 0.000 2.307 204 L HA 0.192 4.531 4.340 -0.003 0.000 0.282 204 L C 0.144 177.048 176.870 0.056 0.000 1.051 204 L CA -0.288 54.688 54.840 0.227 0.000 0.804 204 L CB 1.782 43.895 42.059 0.089 0.000 1.197 204 L HN 0.216 nan 8.230 nan 0.000 0.431 205 S N 3.484 119.028 115.700 -0.260 0.000 2.457 205 S HA 0.075 4.543 4.470 -0.003 0.000 0.294 205 S C 0.779 175.098 174.600 -0.468 0.000 1.201 205 S CA 0.052 57.755 58.200 -0.828 0.000 1.112 205 S CB 0.268 62.955 63.200 -0.857 0.000 1.018 205 S HN 0.689 nan 8.310 nan 0.000 0.511 206 V N 4.716 124.437 119.914 -0.321 0.000 3.650 206 V HA 0.275 4.393 4.120 -0.003 0.000 0.271 206 V C 0.782 176.848 176.094 -0.048 0.000 1.281 206 V CA 1.211 63.496 62.300 -0.025 0.000 1.120 206 V CB 0.124 31.931 31.823 -0.025 0.000 0.856 206 V HN 0.865 nan 8.190 nan 0.000 0.443 207 T N -0.012 114.423 114.554 -0.198 0.000 2.812 207 T HA 0.590 4.938 4.350 -0.003 0.000 0.294 207 T C -1.294 173.302 174.700 -0.174 0.000 1.159 207 T CA -0.728 61.281 62.100 -0.152 0.000 1.008 207 T CB 1.634 70.426 68.868 -0.127 0.000 1.289 207 T HN 0.228 nan 8.240 nan 0.000 0.514 208 R N 1.180 121.640 120.500 -0.067 0.000 2.698 208 R HA 0.424 4.762 4.340 -0.003 0.000 0.275 208 R C -2.994 173.380 176.300 0.123 0.000 1.001 208 R CA -2.136 53.957 56.100 -0.012 0.000 0.896 208 R CB 1.892 32.180 30.300 -0.021 0.000 1.218 208 R HN 0.428 nan 8.270 nan 0.000 0.462 209 P HA 0.085 nan 4.420 nan 0.000 0.264 209 P C 0.401 177.698 177.300 -0.005 0.000 1.193 209 P CA 0.063 63.223 63.100 0.101 0.000 0.763 209 P CB 0.486 32.220 31.700 0.058 0.000 0.810 210 R N 2.463 122.911 120.500 -0.086 0.000 2.355 210 R HA -0.118 4.220 4.340 -0.003 0.000 0.219 210 R C 1.105 177.381 176.300 -0.039 0.000 1.107 210 R CA 1.348 57.406 56.100 -0.070 0.000 1.021 210 R CB -0.097 30.139 30.300 -0.107 0.000 0.852 210 R HN 0.424 nan 8.270 nan 0.000 0.475 211 S N 0.391 116.068 115.700 -0.038 0.000 2.311 211 S HA -0.040 4.428 4.470 -0.003 0.000 0.209 211 S C 1.665 176.270 174.600 0.009 0.000 1.029 211 S CA 0.838 59.029 58.200 -0.015 0.000 0.968 211 S CB -0.212 62.979 63.200 -0.015 0.000 0.946 211 S HN 0.328 nan 8.310 nan 0.000 0.450 212 R N 0.454 120.964 120.500 0.018 0.000 2.127 212 R HA 0.013 4.351 4.340 -0.003 0.000 0.238 212 R C -0.201 176.124 176.300 0.041 0.000 1.134 212 R CA 0.766 56.885 56.100 0.031 0.000 0.975 212 R CB -0.100 30.221 30.300 0.035 0.000 0.865 212 R HN 0.195 nan 8.270 nan 0.000 0.447 213 V N 0.946 120.882 119.914 0.037 0.000 2.439 213 V HA 0.118 4.236 4.120 -0.003 0.000 0.277 213 V C 0.033 176.154 176.094 0.046 0.000 1.008 213 V CA -0.722 61.611 62.300 0.056 0.000 0.846 213 V CB 1.537 33.392 31.823 0.053 0.000 1.031 213 V HN 0.018 nan 8.190 nan 0.000 0.441 214 K N 4.007 124.455 120.400 0.081 0.000 2.186 214 K HA 0.007 4.325 4.320 -0.003 0.000 0.202 214 K C 0.658 177.345 176.600 0.144 0.000 1.052 214 K CA 0.572 56.907 56.287 0.081 0.000 0.965 214 K CB 0.266 32.818 32.500 0.087 0.000 0.746 214 K HN 0.618 nan 8.250 nan 0.000 0.457 215 W N 2.270 123.562 121.300 -0.013 0.000 2.481 215 W HA 0.431 5.089 4.660 -0.003 0.000 0.320 215 W C -0.519 175.987 176.519 -0.021 0.000 1.209 215 W CA 0.552 57.902 57.345 0.009 0.000 1.400 215 W CB 0.040 29.528 29.460 0.046 0.000 1.361 215 W HN 0.304 nan 8.180 nan 0.000 0.456 216 G N 4.533 112.955 108.800 -0.630 0.000 2.324 216 G HA2 0.131 4.089 3.960 -0.003 0.000 0.293 216 G HA3 0.131 4.089 3.960 -0.003 0.000 0.293 216 G C -1.710 172.691 174.900 -0.832 0.000 1.297 216 G CA -1.198 43.370 45.100 -0.887 0.000 0.853 216 G HN 0.374 nan 8.290 nan 0.000 0.535 217 I N 2.018 122.117 120.570 -0.784 0.000 2.416 217 I HA 0.255 4.423 4.170 -0.003 0.000 0.288 217 I C -2.049 173.811 176.117 -0.429 0.000 1.051 217 I CA -1.624 59.352 61.300 -0.539 0.000 1.375 217 I CB 1.674 39.417 38.000 -0.427 0.000 1.407 217 I HN 0.089 nan 8.210 nan 0.000 0.516 218 P HA 0.072 nan 4.420 nan 0.000 0.276 218 P C -0.401 176.628 177.300 -0.452 0.000 1.235 218 P CA -0.315 62.582 63.100 -0.338 0.000 0.772 218 P CB 0.637 32.192 31.700 -0.242 0.000 0.871 219 V N 7.691 127.275 119.914 -0.551 0.000 2.420 219 V HA -0.039 4.079 4.120 -0.003 0.000 0.274 219 V C -1.093 174.602 176.094 -0.665 0.000 1.003 219 V CA -0.431 61.370 62.300 -0.831 0.000 1.092 219 V CB -0.012 31.274 31.823 -0.895 0.000 1.002 219 V HN 0.615 nan 8.190 nan 0.000 0.473 220 P HA -0.228 nan 4.420 nan 0.000 0.225 220 P C 0.666 177.868 177.300 -0.164 0.000 1.154 220 P CA 1.980 64.917 63.100 -0.273 0.000 0.885 220 P CB -0.049 31.579 31.700 -0.119 0.000 0.785 221 F N -4.195 115.679 119.950 -0.127 0.000 2.805 221 F HA 0.575 5.100 4.527 -0.003 0.000 0.317 221 F C -0.283 175.475 175.800 -0.071 0.000 1.146 221 F CA -0.885 57.059 58.000 -0.093 0.000 1.265 221 F CB -0.078 38.861 39.000 -0.102 0.000 0.992 221 F HN -0.285 nan 8.300 nan 0.000 0.511 222 D N 0.965 121.233 120.400 -0.221 0.000 3.171 222 D HA 0.152 4.790 4.640 -0.003 0.000 0.240 222 D C -2.438 173.800 176.300 -0.105 0.000 1.432 222 D CA -0.974 52.994 54.000 -0.054 0.000 0.892 222 D CB 1.056 41.895 40.800 0.064 0.000 1.499 222 D HN -0.102 nan 8.370 nan 0.000 0.597 223 P HA -0.128 nan 4.420 nan 0.000 0.219 223 P C 0.758 177.980 177.300 -0.130 0.000 1.144 223 P CA 1.052 64.079 63.100 -0.121 0.000 0.806 223 P CB 0.286 31.935 31.700 -0.085 0.000 0.771 224 E N -2.049 118.063 120.200 -0.146 0.000 2.510 224 E HA -0.111 4.237 4.350 -0.003 0.000 0.202 224 E C 0.320 176.607 176.600 -0.522 0.000 1.072 224 E CA 0.567 56.790 56.400 -0.294 0.000 0.883 224 E CB -0.281 29.222 29.700 -0.329 0.000 0.818 224 E HN 0.495 nan 8.360 nan 0.000 0.548 225 H N -1.218 117.804 119.070 -0.079 0.000 2.930 225 H HA 0.318 4.872 4.556 -0.003 0.000 0.371 225 H C -0.591 174.611 175.328 -0.209 0.000 1.169 225 H CA -0.540 55.449 56.048 -0.099 0.000 1.157 225 H CB 2.135 31.892 29.762 -0.008 0.000 1.789 225 H HN -0.161 nan 8.280 nan 0.000 0.547 226 T N 2.645 117.160 114.554 -0.065 0.000 2.856 226 T HA 0.402 4.750 4.350 -0.003 0.000 0.283 226 T C 0.911 175.470 174.700 -0.235 0.000 1.008 226 T CA -0.701 61.281 62.100 -0.197 0.000 0.997 226 T CB 1.251 70.023 68.868 -0.160 0.000 0.992 226 T HN 0.296 nan 8.240 nan 0.000 0.454 227 I N 3.038 123.386 120.570 -0.370 0.000 2.618 227 I HA 0.061 4.229 4.170 -0.003 0.000 0.284 227 I C 0.359 176.439 176.117 -0.063 0.000 1.146 227 I CA -0.545 60.542 61.300 -0.356 0.000 1.425 227 I CB 0.204 37.912 38.000 -0.488 0.000 1.383 227 I HN 0.585 nan 8.210 nan 0.000 0.562 228 Y N 7.353 127.595 120.300 -0.096 0.000 2.810 228 Y HA -0.051 4.497 4.550 -0.003 0.000 0.332 228 Y C 1.211 177.199 175.900 0.147 0.000 1.243 228 Y CA -0.316 57.817 58.100 0.055 0.000 1.537 228 Y CB 0.566 39.100 38.460 0.124 0.000 1.265 228 Y HN 0.458 nan 8.280 nan 0.000 0.572 229 V N 4.275 124.267 119.914 0.129 0.000 2.250 229 V HA -0.371 3.747 4.120 -0.003 0.000 0.250 229 V C 1.801 177.685 176.094 -0.350 0.000 1.060 229 V CA 2.231 64.459 62.300 -0.119 0.000 1.030 229 V CB -1.483 30.286 31.823 -0.091 0.000 0.643 229 V HN 0.913 nan 8.190 nan 0.000 0.445 230 W N -0.576 120.286 121.300 -0.729 0.000 2.421 230 W HA 0.039 4.698 4.660 -0.003 0.000 0.270 230 W C 2.315 178.753 176.519 -0.136 0.000 1.233 230 W CA 1.185 58.232 57.345 -0.497 0.000 1.226 230 W CB -0.429 28.752 29.460 -0.466 0.000 1.121 230 W HN 0.295 nan 8.180 nan 0.000 0.579 231 F N 1.324 121.294 119.950 0.034 0.000 2.187 231 F HA -0.151 4.374 4.527 -0.003 0.000 0.295 231 F C 2.230 178.181 175.800 0.252 0.000 1.091 231 F CA 2.056 60.220 58.000 0.274 0.000 1.308 231 F CB -0.506 38.606 39.000 0.187 0.000 1.030 231 F HN -0.139 nan 8.300 nan 0.000 0.487 232 D N 0.439 121.008 120.400 0.281 0.000 2.149 232 D HA -0.124 4.514 4.640 -0.003 0.000 0.201 232 D C 2.064 178.440 176.300 0.127 0.000 0.972 232 D CA 1.407 55.532 54.000 0.209 0.000 0.835 232 D CB -0.384 40.500 40.800 0.139 0.000 0.966 232 D HN 0.253 nan 8.370 nan 0.000 0.476 233 A N 0.411 123.151 122.820 -0.133 0.000 1.855 233 A HA -0.014 4.304 4.320 -0.003 0.000 0.215 233 A C 2.468 179.737 177.584 -0.525 0.000 1.191 233 A CA 1.202 52.993 52.037 -0.409 0.000 0.613 233 A CB -1.053 17.500 19.000 -0.745 0.000 0.829 233 A HN 0.346 nan 8.150 nan 0.000 0.442 234 L N -1.844 119.087 121.223 -0.486 0.000 2.043 234 L HA -0.204 4.134 4.340 -0.003 0.000 0.212 234 L C 2.190 178.458 176.870 -1.003 0.000 1.075 234 L CA 1.380 55.685 54.840 -0.891 0.000 0.752 234 L CB -0.490 41.117 42.059 -0.753 0.000 0.891 234 L HN 0.409 nan 8.230 nan 0.000 0.432 235 F N 0.482 120.238 119.950 -0.323 0.000 2.722 235 F HA -0.146 4.379 4.527 -0.003 0.000 0.298 235 F C 2.068 177.822 175.800 -0.076 0.000 1.175 235 F CA 0.895 58.911 58.000 0.026 0.000 1.462 235 F CB -0.812 38.291 39.000 0.171 0.000 1.111 235 F HN 0.357 nan 8.300 nan 0.000 0.592 236 N N 0.004 118.591 118.700 -0.187 0.000 2.104 236 N HA -0.310 4.428 4.740 -0.003 0.000 0.190 236 N C 1.574 176.963 175.510 -0.201 0.000 1.024 236 N CA 1.892 54.758 53.050 -0.306 0.000 0.853 236 N CB -0.953 37.136 38.487 -0.662 0.000 1.008 236 N HN 0.230 nan 8.380 nan 0.000 0.424 237 Y N 0.090 120.362 120.300 -0.047 0.000 2.298 237 Y HA -0.044 4.504 4.550 -0.003 0.000 0.287 237 Y C 1.959 177.994 175.900 0.227 0.000 1.164 237 Y CA 0.774 58.996 58.100 0.203 0.000 1.229 237 Y CB -0.297 38.416 38.460 0.423 0.000 0.977 237 Y HN 0.226 nan 8.280 nan 0.000 0.538 238 I N -1.476 119.120 120.570 0.044 0.000 3.039 238 I HA -0.138 4.030 4.170 -0.003 0.000 0.270 238 I C 2.411 178.247 176.117 -0.467 0.000 1.150 238 I CA 0.888 61.994 61.300 -0.322 0.000 1.448 238 I CB -0.412 37.237 38.000 -0.586 0.000 1.197 238 I HN 0.113 nan 8.210 nan 0.000 0.450 239 S N 2.087 117.394 115.700 -0.655 0.000 2.370 239 S HA -0.224 4.244 4.470 -0.003 0.000 0.226 239 S C 2.274 176.740 174.600 -0.223 0.000 1.033 239 S CA 1.134 58.921 58.200 -0.688 0.000 1.011 239 S CB -0.737 62.246 63.200 -0.361 0.000 0.852 239 S HN 0.379 nan 8.310 nan 0.000 0.457 240 A N 2.194 124.950 122.820 -0.107 0.000 1.948 240 A HA 0.012 4.330 4.320 -0.003 0.000 0.220 240 A C 2.333 179.897 177.584 -0.034 0.000 1.177 240 A CA 1.668 53.691 52.037 -0.024 0.000 0.636 240 A CB -1.003 18.026 19.000 0.048 0.000 0.815 240 A HN 0.597 nan 8.150 nan 0.000 0.449 241 L N -0.744 120.391 121.223 -0.145 0.000 2.265 241 L HA -0.138 4.200 4.340 -0.003 0.000 0.215 241 L C 1.219 178.032 176.870 -0.094 0.000 1.117 241 L CA 0.900 55.582 54.840 -0.264 0.000 0.782 241 L CB -0.735 41.159 42.059 -0.276 0.000 0.914 241 L HN 0.643 nan 8.230 nan 0.000 0.441 242 E N 2.163 122.330 120.200 -0.056 0.000 1.822 242 E HA -0.340 4.008 4.350 -0.003 0.000 0.168 242 E C 0.175 176.813 176.600 0.063 0.000 1.351 242 E CA 0.647 57.065 56.400 0.030 0.000 0.547 242 E CB -0.936 28.802 29.700 0.063 0.000 1.036 242 E HN 0.697 nan 8.360 nan 0.000 0.280 243 D N 0.959 121.391 120.400 0.053 0.000 3.005 243 D HA -0.189 4.450 4.640 -0.003 0.000 0.203 243 D C -0.193 176.137 176.300 0.050 0.000 1.003 243 D CA 1.426 55.464 54.000 0.063 0.000 0.990 243 D CB -1.266 39.584 40.800 0.084 0.000 1.056 243 D HN 0.623 nan 8.370 nan 0.000 0.445 244 K N 0.342 120.763 120.400 0.034 0.000 2.553 244 K HA 0.207 4.525 4.320 -0.003 0.000 0.205 244 K C 2.049 178.651 176.600 0.005 0.000 1.168 244 K CA 0.605 56.917 56.287 0.041 0.000 1.043 244 K CB 1.386 33.973 32.500 0.146 0.000 0.967 244 K HN 0.082 nan 8.250 nan 0.000 0.585 245 V N 0.768 120.681 119.914 -0.002 0.000 2.250 245 V HA -0.335 3.783 4.120 -0.003 0.000 0.250 245 V C 1.957 178.094 176.094 0.071 0.000 1.060 245 V CA 1.755 64.074 62.300 0.032 0.000 1.030 245 V CB -0.583 31.240 31.823 0.000 0.000 0.643 245 V HN 0.246 nan 8.190 nan 0.000 0.445 246 E N 0.389 120.603 120.200 0.023 0.000 2.147 246 E HA -0.228 4.120 4.350 -0.003 0.000 0.199 246 E C 2.170 178.735 176.600 -0.058 0.000 1.005 246 E CA 2.154 58.560 56.400 0.009 0.000 0.810 246 E CB -0.429 29.269 29.700 -0.003 0.000 0.736 246 E HN 0.845 nan 8.360 nan 0.000 0.460 247 I N -1.702 118.764 120.570 -0.173 0.000 2.585 247 I HA -0.165 4.003 4.170 -0.003 0.000 0.254 247 I C 1.489 177.330 176.117 -0.460 0.000 1.129 247 I CA 0.972 62.055 61.300 -0.362 0.000 1.455 247 I CB 0.065 37.733 38.000 -0.554 0.000 1.111 247 I HN -0.102 nan 8.210 nan 0.000 0.433 248 Y N -0.299 119.942 120.300 -0.098 0.000 2.524 248 Y HA 0.042 4.591 4.550 -0.003 0.000 0.270 248 Y C 2.058 177.933 175.900 -0.042 0.000 1.094 248 Y CA 0.023 58.023 58.100 -0.167 0.000 1.276 248 Y CB -0.806 37.323 38.460 -0.552 0.000 1.130 248 Y HN 0.262 nan 8.280 nan 0.000 0.536 249 W N 4.012 125.310 121.300 -0.004 0.000 2.079 249 W HA -0.256 4.402 4.660 -0.003 0.000 0.318 249 W C -1.417 175.202 176.519 0.168 0.000 1.211 249 W CA 0.760 58.154 57.345 0.081 0.000 1.052 249 W CB -1.470 27.999 29.460 0.016 0.000 1.043 249 W HN -0.058 nan 8.180 nan 0.000 0.514 250 P HA -0.086 nan 4.420 nan 0.000 0.214 250 P C -0.797 176.030 177.300 -0.787 0.000 0.970 250 P CA 0.941 63.380 63.100 -1.103 0.000 1.047 250 P CB -0.635 30.791 31.700 -0.457 0.000 1.015 251 A N 3.778 125.908 122.820 -1.150 0.000 2.524 251 A HA 0.013 4.331 4.320 -0.003 0.000 0.250 251 A C 1.370 178.554 177.584 -0.666 0.000 1.078 251 A CA 0.059 51.574 52.037 -0.870 0.000 0.761 251 A CB 0.088 18.324 19.000 -1.273 0.000 1.012 251 A HN 0.442 nan 8.150 nan 0.000 0.500 252 D N 1.171 121.242 120.400 -0.549 0.000 2.213 252 D HA 0.046 4.684 4.640 -0.003 0.000 0.205 252 D C 0.153 176.259 176.300 -0.324 0.000 0.961 252 D CA 1.065 54.855 54.000 -0.350 0.000 0.853 252 D CB 0.273 40.942 40.800 -0.218 0.000 0.967 252 D HN 0.423 nan 8.370 nan 0.000 0.496 253 L N 1.208 122.118 121.223 -0.521 0.000 2.528 253 L HA 0.161 4.499 4.340 -0.003 0.000 0.267 253 L C -1.562 175.076 176.870 -0.386 0.000 0.961 253 L CA -0.447 54.198 54.840 -0.324 0.000 0.866 253 L CB 2.219 44.221 42.059 -0.096 0.000 1.248 253 L HN -0.098 nan 8.230 nan 0.000 0.404 254 H N 5.747 124.620 119.070 -0.329 0.000 2.597 254 H HA 0.407 4.961 4.556 -0.003 0.000 0.303 254 H C -0.565 174.595 175.328 -0.278 0.000 1.057 254 H CA -0.150 55.650 56.048 -0.412 0.000 1.261 254 H CB 1.571 31.073 29.762 -0.433 0.000 1.397 254 H HN 0.451 nan 8.280 nan 0.000 0.461 255 L N 4.689 125.855 121.223 -0.096 0.000 2.275 255 L HA 0.402 4.740 4.340 -0.003 0.000 0.288 255 L C 0.265 177.055 176.870 -0.133 0.000 1.046 255 L CA -0.632 54.191 54.840 -0.029 0.000 0.805 255 L CB 0.957 43.048 42.059 0.055 0.000 1.193 255 L HN 0.366 nan 8.230 nan 0.000 0.426 256 V N 0.438 120.233 119.914 -0.198 0.000 3.181 256 V HA 0.912 5.030 4.120 -0.003 0.000 0.307 256 V C -0.201 175.613 176.094 -0.468 0.000 1.310 256 V CA -0.624 61.500 62.300 -0.294 0.000 1.067 256 V CB 1.525 33.065 31.823 -0.472 0.000 1.081 256 V HN 0.648 nan 8.190 nan 0.000 0.453 257 G N -0.404 108.215 108.800 -0.302 0.000 2.434 257 G HA2 0.482 4.440 3.960 -0.003 0.000 0.330 257 G HA3 0.482 4.440 3.960 -0.003 0.000 0.330 257 G C 0.080 174.972 174.900 -0.013 0.000 1.155 257 G CA -0.304 44.641 45.100 -0.258 0.000 0.917 257 G HN 1.085 nan 8.290 nan 0.000 0.493 258 K N 0.093 120.533 120.400 0.066 0.000 2.049 258 K HA -0.250 4.068 4.320 -0.003 0.000 0.219 258 K C 2.356 178.938 176.600 -0.031 0.000 1.056 258 K CA 2.427 58.709 56.287 -0.008 0.000 0.946 258 K CB -0.054 32.456 32.500 0.016 0.000 0.723 258 K HN 0.742 nan 8.250 nan 0.000 0.453 259 D N 0.932 121.322 120.400 -0.016 0.000 2.220 259 D HA -0.214 4.424 4.640 -0.003 0.000 0.198 259 D C 1.374 177.720 176.300 0.076 0.000 1.001 259 D CA 1.562 55.542 54.000 -0.033 0.000 0.875 259 D CB -0.385 40.389 40.800 -0.042 0.000 0.921 259 D HN 0.472 nan 8.370 nan 0.000 0.454 260 I N -1.944 118.694 120.570 0.113 0.000 3.927 260 I HA 0.210 4.378 4.170 -0.003 0.000 0.332 260 I C 1.654 177.869 176.117 0.164 0.000 1.485 260 I CA -0.474 60.908 61.300 0.136 0.000 1.131 260 I CB -0.300 37.825 38.000 0.208 0.000 1.092 260 I HN -0.146 nan 8.210 nan 0.000 0.410 261 L N 2.313 123.546 121.223 0.016 0.000 2.042 261 L HA -0.132 4.206 4.340 -0.003 0.000 0.210 261 L C 2.726 179.542 176.870 -0.090 0.000 1.076 261 L CA 2.034 56.837 54.840 -0.061 0.000 0.749 261 L CB -0.740 41.226 42.059 -0.154 0.000 0.893 261 L HN 0.299 nan 8.230 nan 0.000 0.432 262 R N -1.523 118.837 120.500 -0.234 0.000 2.083 262 R HA -0.206 4.132 4.340 -0.003 0.000 0.237 262 R C 2.222 178.152 176.300 -0.616 0.000 1.137 262 R CA 2.176 57.978 56.100 -0.496 0.000 0.951 262 R CB -0.418 29.394 30.300 -0.813 0.000 0.851 262 R HN 0.408 nan 8.270 nan 0.000 0.434 263 F N -1.006 118.548 119.950 -0.661 0.000 2.216 263 F HA -0.138 4.387 4.527 -0.003 0.000 0.300 263 F C 2.043 177.643 175.800 -0.334 0.000 1.085 263 F CA 1.493 59.094 58.000 -0.665 0.000 1.326 263 F CB -0.469 38.001 39.000 -0.883 0.000 1.027 263 F HN 0.183 nan 8.300 nan 0.000 0.497 264 H N -1.381 117.703 119.070 0.024 0.000 2.448 264 H HA -0.007 4.547 4.556 -0.003 0.000 0.292 264 H C 2.158 177.624 175.328 0.230 0.000 1.035 264 H CA 1.761 57.871 56.048 0.102 0.000 1.349 264 H CB -0.198 29.546 29.762 -0.031 0.000 1.425 264 H HN 0.213 nan 8.280 nan 0.000 0.539 265 T N -2.994 111.689 114.554 0.215 0.000 3.069 265 T HA 0.198 4.546 4.350 -0.003 0.000 0.252 265 T C 1.391 176.335 174.700 0.406 0.000 1.053 265 T CA 0.222 62.519 62.100 0.329 0.000 0.964 265 T CB 0.014 68.937 68.868 0.093 0.000 1.005 265 T HN 0.044 nan 8.240 nan 0.000 0.532 266 V N -0.650 119.376 119.914 0.188 0.000 3.240 266 V HA 0.216 4.334 4.120 -0.003 0.000 0.218 266 V C 1.933 178.132 176.094 0.174 0.000 1.190 266 V CA 0.158 62.580 62.300 0.203 0.000 1.280 266 V CB -0.634 31.257 31.823 0.112 0.000 1.244 266 V HN 0.372 nan 8.190 nan 0.000 0.512 267 Y N -0.593 119.648 120.300 -0.098 0.000 2.070 267 Y HA -0.356 4.192 4.550 -0.003 0.000 0.280 267 Y C 2.549 178.020 175.900 -0.715 0.000 1.148 267 Y CA 1.930 59.731 58.100 -0.498 0.000 1.125 267 Y CB -0.342 37.873 38.460 -0.408 0.000 0.975 267 Y HN 0.379 nan 8.280 nan 0.000 0.492 268 W N 2.352 123.458 121.300 -0.323 0.000 2.290 268 W HA -0.232 4.426 4.660 -0.003 0.000 0.328 268 W C -1.076 175.392 176.519 -0.086 0.000 1.272 268 W CA 1.555 58.782 57.345 -0.198 0.000 1.262 268 W CB -1.330 28.133 29.460 0.005 0.000 1.151 268 W HN 0.088 nan 8.180 nan 0.000 0.473 269 P HA -0.183 nan 4.420 nan 0.000 0.215 269 P C 1.515 178.722 177.300 -0.155 0.000 1.157 269 P CA 3.125 66.176 63.100 -0.081 0.000 0.868 269 P CB -0.584 31.148 31.700 0.053 0.000 0.788 270 A N -1.266 121.458 122.820 -0.161 0.000 1.933 270 A HA -0.180 4.138 4.320 -0.003 0.000 0.218 270 A C 2.133 179.583 177.584 -0.223 0.000 1.175 270 A CA 1.431 53.303 52.037 -0.275 0.000 0.628 270 A CB -1.822 17.118 19.000 -0.100 0.000 0.814 270 A HN 0.156 nan 8.150 nan 0.000 0.444 271 F N -0.388 119.387 119.950 -0.291 0.000 2.206 271 F HA -0.085 4.440 4.527 -0.003 0.000 0.298 271 F C 2.122 177.810 175.800 -0.188 0.000 1.090 271 F CA 0.451 58.274 58.000 -0.294 0.000 1.323 271 F CB -0.211 38.693 39.000 -0.160 0.000 1.028 271 F HN 0.127 nan 8.300 nan 0.000 0.492 272 L N -0.469 120.683 121.223 -0.118 0.000 2.093 272 L HA -0.223 4.115 4.340 -0.003 0.000 0.208 272 L C 2.368 179.208 176.870 -0.050 0.000 1.085 272 L CA 1.120 55.872 54.840 -0.147 0.000 0.755 272 L CB -0.498 41.394 42.059 -0.279 0.000 0.904 272 L HN 0.213 nan 8.230 nan 0.000 0.435 273 M N -0.544 119.033 119.600 -0.038 0.000 2.077 273 M HA -0.193 4.285 4.480 -0.003 0.000 0.261 273 M C 2.696 179.079 176.300 0.138 0.000 1.070 273 M CA 2.114 57.454 55.300 0.067 0.000 1.125 273 M CB -0.483 32.203 32.600 0.144 0.000 1.339 273 M HN 0.366 nan 8.290 nan 0.000 0.409 274 S N 0.978 116.764 115.700 0.143 0.000 2.365 274 S HA -0.177 4.291 4.470 -0.003 0.000 0.225 274 S C 1.797 176.448 174.600 0.086 0.000 1.039 274 S CA 1.380 59.743 58.200 0.272 0.000 1.033 274 S CB -0.890 62.570 63.200 0.433 0.000 0.887 274 S HN 0.517 nan 8.310 nan 0.000 0.447 275 L N 1.218 122.394 121.223 -0.078 0.000 2.551 275 L HA 0.193 4.532 4.340 -0.003 0.000 0.228 275 L C 1.770 178.430 176.870 -0.349 0.000 1.153 275 L CA 0.445 55.064 54.840 -0.368 0.000 0.851 275 L CB -0.851 40.677 42.059 -0.885 0.000 0.959 275 L HN 0.705 nan 8.230 nan 0.000 0.451 276 G N -0.717 108.021 108.800 -0.104 0.000 2.225 276 G HA2 -0.308 3.651 3.960 -0.003 0.000 0.264 276 G HA3 -0.308 3.651 3.960 -0.003 0.000 0.264 276 G C -0.052 174.984 174.900 0.226 0.000 1.060 276 G CA -0.266 44.865 45.100 0.053 0.000 0.833 276 G HN 0.370 nan 8.290 nan 0.000 0.498 277 Y N -0.739 119.627 120.300 0.109 0.000 2.453 277 Y HA 0.523 5.071 4.550 -0.003 0.000 0.326 277 Y C 0.972 176.985 175.900 0.187 0.000 1.186 277 Y CA -1.268 56.922 58.100 0.151 0.000 1.200 277 Y CB 1.043 39.576 38.460 0.121 0.000 1.247 277 Y HN 0.195 nan 8.280 nan 0.000 0.482 278 E N 1.458 121.934 120.200 0.460 0.000 2.418 278 E HA 0.141 4.489 4.350 -0.003 0.000 0.261 278 E C -1.177 175.604 176.600 0.303 0.000 1.070 278 E CA 0.076 56.650 56.400 0.288 0.000 0.931 278 E CB 0.493 30.310 29.700 0.195 0.000 0.954 278 E HN 0.350 nan 8.360 nan 0.000 0.439 279 L N 4.670 125.944 121.223 0.086 0.000 2.360 279 L HA 0.476 4.815 4.340 -0.003 0.000 0.271 279 L C -1.984 174.869 176.870 -0.027 0.000 1.057 279 L CA -2.396 52.470 54.840 0.044 0.000 0.803 279 L CB 1.139 43.153 42.059 -0.074 0.000 1.207 279 L HN 0.472 nan 8.230 nan 0.000 0.445 280 P HA 0.053 nan 4.420 nan 0.000 0.269 280 P C -0.073 177.266 177.300 0.066 0.000 1.215 280 P CA -0.290 62.735 63.100 -0.125 0.000 0.780 280 P CB 0.647 32.330 31.700 -0.028 0.000 0.898 281 K N 1.142 121.484 120.400 -0.097 0.000 2.167 281 K HA 0.010 4.328 4.320 -0.003 0.000 0.203 281 K C 0.709 177.359 176.600 0.083 0.000 1.052 281 K CA 1.253 57.554 56.287 0.023 0.000 0.956 281 K CB 0.114 32.585 32.500 -0.050 0.000 0.735 281 K HN 0.428 nan 8.250 nan 0.000 0.451 282 K N -0.259 120.093 120.400 -0.081 0.000 2.532 282 K HA 0.337 4.655 4.320 -0.003 0.000 0.265 282 K C -1.758 174.677 176.600 -0.274 0.000 0.948 282 K CA -0.534 55.656 56.287 -0.160 0.000 0.842 282 K CB 2.336 34.799 32.500 -0.061 0.000 1.392 282 K HN -0.289 nan 8.250 nan 0.000 0.436 283 V N 3.709 123.410 119.914 -0.354 0.000 2.532 283 V HA 0.362 4.480 4.120 -0.003 0.000 0.294 283 V C -1.413 174.543 176.094 -0.229 0.000 1.036 283 V CA -0.652 61.477 62.300 -0.285 0.000 0.876 283 V CB 1.221 32.790 31.823 -0.423 0.000 1.012 283 V HN 0.703 nan 8.190 nan 0.000 0.432 284 F N 4.373 124.205 119.950 -0.198 0.000 2.361 284 F HA 0.736 5.261 4.527 -0.003 0.000 0.364 284 F C 0.625 176.296 175.800 -0.216 0.000 1.117 284 F CA -0.593 57.315 58.000 -0.154 0.000 1.071 284 F CB 1.046 40.051 39.000 0.009 0.000 1.188 284 F HN 0.559 nan 8.300 nan 0.000 0.464 285 A N 6.927 129.656 122.820 -0.151 0.000 2.391 285 A HA 0.254 4.572 4.320 -0.003 0.000 0.316 285 A C -0.064 177.467 177.584 -0.088 0.000 1.381 285 A CA -0.522 51.409 52.037 -0.177 0.000 0.998 285 A CB -0.470 18.379 19.000 -0.252 0.000 1.147 285 A HN 0.925 nan 8.150 nan 0.000 0.545 286 H N 1.385 120.437 119.070 -0.031 0.000 2.581 286 H HA 0.577 5.131 4.556 -0.003 0.000 0.369 286 H C 0.722 176.055 175.328 0.008 0.000 1.351 286 H CA -0.292 55.609 56.048 -0.244 0.000 1.434 286 H CB 0.682 30.099 29.762 -0.574 0.000 1.558 286 H HN 0.491 nan 8.280 nan 0.000 0.608 287 G N -1.015 107.954 108.800 0.283 0.000 2.516 287 G HA2 0.135 4.093 3.960 -0.003 0.000 0.276 287 G HA3 0.135 4.093 3.960 -0.003 0.000 0.276 287 G C -1.200 173.949 174.900 0.414 0.000 1.390 287 G CA -0.977 44.275 45.100 0.253 0.000 1.050 287 G HN 0.706 nan 8.290 nan 0.000 0.519 288 W N -0.677 120.584 121.300 -0.065 0.000 2.666 288 W HA 0.493 5.151 4.660 -0.003 0.000 0.334 288 W C -1.460 174.926 176.519 -0.222 0.000 1.051 288 W CA -1.228 56.100 57.345 -0.028 0.000 1.224 288 W CB 1.929 31.409 29.460 0.032 0.000 1.405 288 W HN 0.440 nan 8.180 nan 0.000 0.513 289 W N 2.499 123.645 121.300 -0.257 0.000 2.449 289 W HA 0.421 5.079 4.660 -0.003 0.000 0.331 289 W C 0.377 176.868 176.519 -0.048 0.000 1.119 289 W CA 0.054 57.288 57.345 -0.185 0.000 1.240 289 W CB 1.573 30.834 29.460 -0.332 0.000 1.251 289 W HN 0.098 nan 8.180 nan 0.000 0.576 290 T N -1.845 112.889 114.554 0.299 0.000 2.916 290 T HA 0.627 4.975 4.350 -0.003 0.000 0.292 290 T C 0.107 174.967 174.700 0.266 0.000 1.055 290 T CA -0.861 61.375 62.100 0.226 0.000 1.009 290 T CB 1.384 70.354 68.868 0.170 0.000 1.118 290 T HN 0.163 nan 8.240 nan 0.000 0.497 291 V N 0.353 120.384 119.914 0.195 0.000 2.561 291 V HA 0.206 4.324 4.120 -0.003 0.000 0.206 291 V C 1.195 177.399 176.094 0.184 0.000 1.143 291 V CA 0.342 62.773 62.300 0.218 0.000 1.198 291 V CB -0.414 31.500 31.823 0.151 0.000 0.784 291 V HN 0.877 nan 8.190 nan 0.000 0.494 292 E N 0.669 120.944 120.200 0.124 0.000 2.462 292 E HA 0.340 4.688 4.350 -0.003 0.000 0.255 292 E C 1.007 177.652 176.600 0.074 0.000 1.311 292 E CA 0.669 57.120 56.400 0.087 0.000 1.629 292 E CB 0.108 29.847 29.700 0.064 0.000 1.510 292 E HN 0.831 nan 8.360 nan 0.000 0.438 293 G N 1.329 110.182 108.800 0.088 0.000 2.225 293 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.254 293 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.254 293 G C 0.519 175.461 174.900 0.070 0.000 0.988 293 G CA 0.150 45.292 45.100 0.070 0.000 0.625 293 G HN 0.209 nan 8.290 nan 0.000 0.527 294 K N 0.709 121.156 120.400 0.077 0.000 2.132 294 K HA 0.574 4.892 4.320 -0.003 0.000 0.241 294 K C 0.610 177.265 176.600 0.092 0.000 1.000 294 K CA -0.612 55.719 56.287 0.072 0.000 0.911 294 K CB 1.033 33.570 32.500 0.062 0.000 1.093 294 K HN 0.299 nan 8.250 nan 0.000 0.460 295 K N 0.606 121.060 120.400 0.090 0.000 2.138 295 K HA 0.219 4.537 4.320 -0.003 0.000 0.251 295 K C 0.404 177.064 176.600 0.100 0.000 1.015 295 K CA -0.231 56.127 56.287 0.118 0.000 0.917 295 K CB 0.478 33.047 32.500 0.114 0.000 1.021 295 K HN 0.407 nan 8.250 nan 0.000 0.485 296 M N 2.686 122.351 119.600 0.109 0.000 3.512 296 M HA 0.053 4.531 4.480 -0.003 0.000 0.231 296 M C -0.590 175.726 176.300 0.026 0.000 1.345 296 M CA -0.219 55.102 55.300 0.034 0.000 1.504 296 M CB -0.056 32.517 32.600 -0.045 0.000 1.074 296 M HN 0.626 nan 8.290 nan 0.000 0.615 297 S N 0.456 116.185 115.700 0.049 0.000 2.713 297 S HA 0.471 4.939 4.470 -0.003 0.000 0.283 297 S C 0.848 175.471 174.600 0.039 0.000 1.161 297 S CA -0.876 57.358 58.200 0.057 0.000 0.999 297 S CB 1.383 64.624 63.200 0.068 0.000 1.039 297 S HN 0.512 nan 8.310 nan 0.000 0.548 298 K N 0.684 121.115 120.400 0.052 0.000 2.228 298 K HA -0.024 4.294 4.320 -0.003 0.000 0.202 298 K C 2.351 178.975 176.600 0.039 0.000 1.051 298 K CA 1.538 57.853 56.287 0.046 0.000 0.960 298 K CB -1.042 31.494 32.500 0.062 0.000 0.743 298 K HN 0.923 nan 8.250 nan 0.000 0.458 299 T N -0.039 114.540 114.554 0.043 0.000 2.737 299 T HA -0.096 4.252 4.350 -0.003 0.000 0.265 299 T C 1.816 176.535 174.700 0.032 0.000 1.038 299 T CA 0.719 62.841 62.100 0.037 0.000 1.144 299 T CB -0.288 68.604 68.868 0.039 0.000 0.866 299 T HN -0.076 nan 8.240 nan 0.000 0.434 300 L N 1.814 123.058 121.223 0.034 0.000 2.622 300 L HA 0.354 4.692 4.340 -0.003 0.000 0.233 300 L C 2.265 179.151 176.870 0.028 0.000 1.156 300 L CA 0.920 55.779 54.840 0.032 0.000 0.866 300 L CB -1.352 40.730 42.059 0.037 0.000 0.980 300 L HN 0.694 nan 8.230 nan 0.000 0.448 301 G N 0.383 109.198 108.800 0.025 0.000 2.180 301 G HA2 -0.385 3.573 3.960 -0.003 0.000 0.263 301 G HA3 -0.385 3.573 3.960 -0.003 0.000 0.263 301 G C 0.766 175.677 174.900 0.018 0.000 0.989 301 G CA 0.730 45.842 45.100 0.020 0.000 0.692 301 G HN 0.590 nan 8.290 nan 0.000 0.526 302 N N -0.116 118.596 118.700 0.020 0.000 2.327 302 N HA 0.198 4.936 4.740 -0.003 0.000 0.231 302 N C 0.248 175.759 175.510 0.000 0.000 1.130 302 N CA -0.048 53.015 53.050 0.022 0.000 0.845 302 N CB 0.380 38.890 38.487 0.038 0.000 1.073 302 N HN 0.181 nan 8.380 nan 0.000 0.496 303 V N 1.698 121.602 119.914 -0.018 0.000 2.377 303 V HA 0.027 4.145 4.120 -0.003 0.000 0.254 303 V C 0.647 176.706 176.094 -0.059 0.000 1.060 303 V CA -0.586 61.674 62.300 -0.067 0.000 1.068 303 V CB 0.121 31.913 31.823 -0.052 0.000 1.113 303 V HN 0.088 nan 8.190 nan 0.000 0.484 304 V N 4.529 124.390 119.914 -0.087 0.000 2.583 304 V HA -0.077 4.041 4.120 -0.003 0.000 0.302 304 V C 0.669 176.721 176.094 -0.070 0.000 1.033 304 V CA 0.407 62.655 62.300 -0.087 0.000 1.194 304 V CB 0.426 32.135 31.823 -0.191 0.000 0.879 304 V HN 0.933 nan 8.190 nan 0.000 0.482 305 D N 7.398 127.780 120.400 -0.030 0.000 2.347 305 D HA 0.280 4.918 4.640 -0.003 0.000 0.235 305 D C -1.386 174.900 176.300 -0.022 0.000 1.149 305 D CA -2.185 51.811 54.000 -0.006 0.000 0.850 305 D CB 1.843 42.658 40.800 0.025 0.000 1.061 305 D HN 0.193 nan 8.370 nan 0.000 0.487 306 P HA -0.208 nan 4.420 nan 0.000 0.216 306 P C 0.899 178.191 177.300 -0.014 0.000 1.157 306 P CA 1.410 64.449 63.100 -0.102 0.000 0.880 306 P CB -0.030 31.555 31.700 -0.191 0.000 0.791 307 Y N 0.085 120.365 120.300 -0.033 0.000 2.114 307 Y HA -0.234 4.315 4.550 -0.003 0.000 0.282 307 Y C 2.424 178.321 175.900 -0.005 0.000 1.165 307 Y CA 1.539 59.568 58.100 -0.118 0.000 1.148 307 Y CB -0.846 37.390 38.460 -0.374 0.000 0.972 307 Y HN 0.085 nan 8.280 nan 0.000 0.504 308 E N -0.934 119.347 120.200 0.134 0.000 2.216 308 E HA -0.121 4.227 4.350 -0.003 0.000 0.192 308 E C 2.220 178.867 176.600 0.078 0.000 0.988 308 E CA 0.781 57.227 56.400 0.076 0.000 0.834 308 E CB -0.121 29.598 29.700 0.031 0.000 0.772 308 E HN 0.215 nan 8.360 nan 0.000 0.479 309 V N 0.686 120.664 119.914 0.106 0.000 2.427 309 V HA -0.186 3.932 4.120 -0.003 0.000 0.248 309 V C 2.052 178.291 176.094 0.241 0.000 1.051 309 V CA 1.231 63.647 62.300 0.194 0.000 1.048 309 V CB 0.129 32.012 31.823 0.100 0.000 0.666 309 V HN 0.130 nan 8.190 nan 0.000 0.456 310 V N -0.799 119.236 119.914 0.203 0.000 2.788 310 V HA -0.138 3.980 4.120 -0.003 0.000 0.251 310 V C 2.430 178.626 176.094 0.170 0.000 1.068 310 V CA 1.072 63.499 62.300 0.210 0.000 1.090 310 V CB -0.441 31.525 31.823 0.239 0.000 0.710 310 V HN 0.505 nan 8.190 nan 0.000 0.467 311 Q N 0.829 120.725 119.800 0.161 0.000 2.084 311 Q HA -0.218 4.120 4.340 -0.003 0.000 0.202 311 Q C 2.259 178.250 176.000 -0.016 0.000 0.978 311 Q CA 2.089 57.953 55.803 0.102 0.000 0.844 311 Q CB -0.147 28.636 28.738 0.075 0.000 0.898 311 Q HN 0.926 nan 8.270 nan 0.000 0.426 312 E N -1.119 118.995 120.200 -0.143 0.000 2.102 312 E HA -0.103 4.246 4.350 -0.003 0.000 0.190 312 E C 1.593 177.996 176.600 -0.328 0.000 0.971 312 E CA 0.609 56.815 56.400 -0.323 0.000 0.821 312 E CB -0.440 28.920 29.700 -0.565 0.000 0.777 312 E HN 0.404 nan 8.360 nan 0.000 0.460 313 Y N 1.516 121.852 120.300 0.060 0.000 2.397 313 Y HA 0.280 4.828 4.550 -0.003 0.000 0.292 313 Y C 1.214 177.154 175.900 0.067 0.000 1.115 313 Y CA 0.474 58.607 58.100 0.055 0.000 1.208 313 Y CB 0.716 39.211 38.460 0.058 0.000 1.046 313 Y HN 0.218 nan 8.280 nan 0.000 0.552 314 G N -0.026 108.889 108.800 0.192 0.000 2.742 314 G HA2 -0.157 3.801 3.960 -0.003 0.000 0.686 314 G HA3 -0.157 3.801 3.960 -0.003 0.000 0.686 314 G C -0.071 174.899 174.900 0.117 0.000 1.220 314 G CA -0.363 44.809 45.100 0.119 0.000 0.783 314 G HN 0.162 nan 8.290 nan 0.000 0.646 315 L N 0.657 121.901 121.223 0.035 0.000 1.933 315 L HA -0.113 4.225 4.340 -0.003 0.000 0.220 315 L C 2.564 179.474 176.870 0.066 0.000 1.078 315 L CA 2.793 57.637 54.840 0.007 0.000 0.773 315 L CB -0.400 41.608 42.059 -0.084 0.000 0.890 315 L HN 0.776 nan 8.230 nan 0.000 0.434 316 D N -0.361 120.078 120.400 0.065 0.000 2.182 316 D HA -0.203 4.435 4.640 -0.003 0.000 0.201 316 D C 2.041 178.482 176.300 0.235 0.000 0.986 316 D CA 1.091 55.167 54.000 0.128 0.000 0.847 316 D CB -0.079 40.786 40.800 0.109 0.000 0.942 316 D HN 0.378 nan 8.370 nan 0.000 0.467 317 E N -0.029 120.323 120.200 0.252 0.000 2.153 317 E HA -0.112 4.236 4.350 -0.003 0.000 0.194 317 E C 2.130 178.911 176.600 0.302 0.000 0.988 317 E CA 0.453 57.033 56.400 0.300 0.000 0.811 317 E CB -0.106 29.760 29.700 0.277 0.000 0.746 317 E HN 0.302 nan 8.360 nan 0.000 0.466 318 V N -0.704 119.363 119.914 0.254 0.000 3.052 318 V HA 0.021 4.139 4.120 -0.003 0.000 0.254 318 V C 1.755 177.981 176.094 0.219 0.000 1.100 318 V CA 0.756 63.216 62.300 0.267 0.000 1.112 318 V CB 0.002 31.957 31.823 0.220 0.000 0.738 318 V HN 0.053 nan 8.190 nan 0.000 0.469 319 R N -0.915 119.686 120.500 0.169 0.000 2.066 319 R HA -0.101 4.237 4.340 -0.003 0.000 0.232 319 R C 2.260 178.634 176.300 0.123 0.000 1.131 319 R CA 2.158 58.315 56.100 0.095 0.000 0.955 319 R CB -0.707 29.628 30.300 0.058 0.000 0.851 319 R HN 0.687 nan 8.270 nan 0.000 0.432 320 Y N 0.801 121.154 120.300 0.089 0.000 2.114 320 Y HA -0.292 4.256 4.550 -0.003 0.000 0.284 320 Y C 2.065 178.044 175.900 0.132 0.000 1.143 320 Y CA 1.520 59.672 58.100 0.087 0.000 1.135 320 Y CB -0.513 38.005 38.460 0.097 0.000 0.980 320 Y HN -0.027 nan 8.280 nan 0.000 0.499 321 F N 0.618 120.643 119.950 0.126 0.000 2.015 321 F HA -0.337 4.188 4.527 -0.003 0.000 0.297 321 F C 2.145 177.970 175.800 0.043 0.000 1.141 321 F CA 2.185 60.212 58.000 0.045 0.000 1.192 321 F CB -1.082 37.967 39.000 0.081 0.000 0.957 321 F HN 0.085 nan 8.300 nan 0.000 0.491 322 L N -0.155 121.074 121.223 0.010 0.000 2.064 322 L HA -0.313 4.025 4.340 -0.003 0.000 0.216 322 L C 2.455 179.402 176.870 0.128 0.000 1.077 322 L CA 1.741 56.575 54.840 -0.011 0.000 0.766 322 L CB -0.917 41.162 42.059 0.034 0.000 0.890 322 L HN 0.318 nan 8.230 nan 0.000 0.435 323 L N -1.328 119.871 121.223 -0.040 0.000 2.375 323 L HA -0.038 4.300 4.340 -0.003 0.000 0.215 323 L C 2.622 179.443 176.870 -0.082 0.000 1.108 323 L CA 0.334 55.117 54.840 -0.096 0.000 0.830 323 L CB -0.364 41.500 42.059 -0.325 0.000 0.959 323 L HN 0.235 nan 8.230 nan 0.000 0.457 324 R N 0.550 120.891 120.500 -0.265 0.000 2.265 324 R HA -0.059 4.279 4.340 -0.003 0.000 0.194 324 R C 1.728 177.975 176.300 -0.088 0.000 0.931 324 R CA 0.631 56.562 56.100 -0.281 0.000 1.032 324 R CB 0.446 30.303 30.300 -0.738 0.000 0.980 324 R HN 0.191 nan 8.270 nan 0.000 0.497 325 E N -0.048 120.034 120.200 -0.195 0.000 2.285 325 E HA 0.039 4.388 4.350 -0.003 0.000 0.194 325 E C -0.437 176.125 176.600 -0.062 0.000 0.997 325 E CA 0.468 56.761 56.400 -0.178 0.000 0.845 325 E CB 0.450 29.782 29.700 -0.614 0.000 0.782 325 E HN -0.015 nan 8.360 nan 0.000 0.491 326 V N 1.067 120.952 119.914 -0.048 0.000 2.888 326 V HA 0.344 4.462 4.120 -0.003 0.000 0.309 326 V C -2.583 173.412 176.094 -0.166 0.000 1.114 326 V CA -2.243 59.934 62.300 -0.205 0.000 0.940 326 V CB 2.188 33.802 31.823 -0.349 0.000 1.021 326 V HN -0.001 nan 8.190 nan 0.000 0.426 327 P HA 0.091 nan 4.420 nan 0.000 0.267 327 P C -0.543 176.804 177.300 0.079 0.000 1.209 327 P CA -0.061 62.854 63.100 -0.309 0.000 0.763 327 P CB 0.050 31.498 31.700 -0.420 0.000 0.816 328 F N 3.865 123.865 119.950 0.084 0.000 2.569 328 F HA 0.246 4.771 4.527 -0.003 0.000 0.395 328 F C 1.577 177.543 175.800 0.278 0.000 1.028 328 F CA 2.020 60.102 58.000 0.136 0.000 1.158 328 F CB -0.626 38.380 39.000 0.010 0.000 1.023 328 F HN 0.661 nan 8.300 nan 0.000 0.547 329 G N 3.703 112.446 108.800 -0.096 0.000 2.284 329 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.201 329 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.201 329 G C 0.105 175.079 174.900 0.124 0.000 0.998 329 G CA -0.110 45.042 45.100 0.086 0.000 0.651 329 G HN 0.651 nan 8.290 nan 0.000 0.489 330 Q N 0.717 120.545 119.800 0.048 0.000 2.214 330 Q HA 0.504 4.842 4.340 -0.003 0.000 0.251 330 Q C -0.938 174.983 176.000 -0.132 0.000 0.936 330 Q CA -0.746 55.042 55.803 -0.024 0.000 0.894 330 Q CB 0.861 29.534 28.738 -0.109 0.000 1.252 330 Q HN 0.232 nan 8.270 nan 0.000 0.448 331 D N 0.901 121.223 120.400 -0.131 0.000 2.350 331 D HA 0.416 5.054 4.640 -0.003 0.000 0.249 331 D C -0.296 175.788 176.300 -0.359 0.000 1.119 331 D CA 0.224 54.106 54.000 -0.197 0.000 0.886 331 D CB 1.392 42.157 40.800 -0.059 0.000 1.195 331 D HN 0.618 nan 8.370 nan 0.000 0.437 332 G N 0.109 108.522 108.800 -0.644 0.000 2.730 332 G HA2 0.501 4.459 3.960 -0.003 0.000 0.289 332 G HA3 0.501 4.459 3.960 -0.003 0.000 0.289 332 G C -1.487 173.203 174.900 -0.351 0.000 1.341 332 G CA -0.676 44.004 45.100 -0.701 0.000 0.932 332 G HN 0.392 nan 8.290 nan 0.000 0.481 333 D N -1.245 119.142 120.400 -0.021 0.000 2.629 333 D HA 0.508 5.147 4.640 -0.003 0.000 0.250 333 D C -1.528 175.125 176.300 0.589 0.000 1.126 333 D CA -0.548 53.630 54.000 0.296 0.000 0.852 333 D CB 1.681 42.573 40.800 0.154 0.000 1.335 333 D HN 0.144 nan 8.370 nan 0.000 0.518 334 F N 3.882 124.126 119.950 0.490 0.000 2.391 334 F HA 0.502 5.027 4.527 -0.003 0.000 0.359 334 F C -0.483 175.400 175.800 0.138 0.000 1.122 334 F CA -0.184 58.033 58.000 0.360 0.000 1.120 334 F CB 0.631 39.694 39.000 0.105 0.000 1.142 334 F HN 0.320 nan 8.300 nan 0.000 0.483 335 S N 4.586 120.034 115.700 -0.420 0.000 2.541 335 S HA 0.303 4.771 4.470 -0.003 0.000 0.271 335 S C 0.481 174.732 174.600 -0.582 0.000 1.133 335 S CA -1.066 56.929 58.200 -0.341 0.000 0.876 335 S CB 1.935 65.075 63.200 -0.100 0.000 1.105 335 S HN 0.746 nan 8.310 nan 0.000 0.470 336 K N 1.423 121.610 120.400 -0.355 0.000 2.074 336 K HA -0.164 4.154 4.320 -0.003 0.000 0.209 336 K C 1.584 178.016 176.600 -0.280 0.000 1.048 336 K CA 1.771 57.887 56.287 -0.285 0.000 0.926 336 K CB -0.269 32.215 32.500 -0.027 0.000 0.713 336 K HN 0.694 nan 8.250 nan 0.000 0.444 337 K N -0.086 120.201 120.400 -0.188 0.000 2.026 337 K HA -0.117 4.201 4.320 -0.003 0.000 0.208 337 K C 2.260 178.765 176.600 -0.159 0.000 1.048 337 K CA 1.268 57.479 56.287 -0.127 0.000 0.929 337 K CB -0.222 32.239 32.500 -0.065 0.000 0.713 337 K HN 0.156 nan 8.250 nan 0.000 0.439 338 A N 1.984 124.689 122.820 -0.192 0.000 1.845 338 A HA -0.163 4.155 4.320 -0.003 0.000 0.215 338 A C 2.274 179.680 177.584 -0.295 0.000 1.195 338 A CA 1.520 53.494 52.037 -0.104 0.000 0.616 338 A CB -0.807 18.242 19.000 0.083 0.000 0.832 338 A HN 0.204 nan 8.150 nan 0.000 0.443 339 I N -0.270 119.727 120.570 -0.955 0.000 2.069 339 I HA -0.309 3.859 4.170 -0.003 0.000 0.237 339 I C 2.451 178.257 176.117 -0.519 0.000 1.053 339 I CA 1.538 62.100 61.300 -1.230 0.000 1.311 339 I CB -0.738 36.242 38.000 -1.699 0.000 1.030 339 I HN 0.267 nan 8.210 nan 0.000 0.398 340 L N 0.620 121.587 121.223 -0.425 0.000 2.051 340 L HA -0.325 4.013 4.340 -0.003 0.000 0.214 340 L C 2.522 179.338 176.870 -0.089 0.000 1.076 340 L CA 2.044 56.784 54.840 -0.167 0.000 0.758 340 L CB -0.898 41.107 42.059 -0.089 0.000 0.890 340 L HN 0.471 nan 8.230 nan 0.000 0.433 341 N N -0.311 118.338 118.700 -0.086 0.000 2.018 341 N HA -0.237 4.501 4.740 -0.003 0.000 0.196 341 N C 2.052 177.573 175.510 0.019 0.000 1.043 341 N CA 1.248 54.288 53.050 -0.018 0.000 0.856 341 N CB 0.106 38.596 38.487 0.004 0.000 1.042 341 N HN 0.188 nan 8.380 nan 0.000 0.423 342 R N 0.921 121.457 120.500 0.060 0.000 2.105 342 R HA -0.065 4.273 4.340 -0.003 0.000 0.239 342 R C 2.301 178.650 176.300 0.082 0.000 1.135 342 R CA 0.696 56.889 56.100 0.155 0.000 0.967 342 R CB -1.082 29.428 30.300 0.349 0.000 0.861 342 R HN 0.496 nan 8.270 nan 0.000 0.442 343 I N 1.494 122.078 120.570 0.023 0.000 2.099 343 I HA -0.316 3.853 4.170 -0.003 0.000 0.239 343 I C 1.801 177.899 176.117 -0.031 0.000 1.066 343 I CA 1.484 62.781 61.300 -0.005 0.000 1.324 343 I CB -0.478 37.540 38.000 0.030 0.000 1.037 343 I HN 0.177 nan 8.210 nan 0.000 0.401 344 N N 1.136 119.833 118.700 -0.004 0.000 2.135 344 N HA -0.096 4.642 4.740 -0.003 0.000 0.186 344 N C 1.916 177.418 175.510 -0.015 0.000 1.027 344 N CA 1.613 54.662 53.050 -0.000 0.000 0.849 344 N CB -0.788 37.705 38.487 0.009 0.000 1.002 344 N HN 0.408 nan 8.380 nan 0.000 0.425 345 G N 0.955 109.751 108.800 -0.006 0.000 2.418 345 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.217 345 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.217 345 G C 1.406 176.297 174.900 -0.014 0.000 1.158 345 G CA 0.790 45.891 45.100 0.000 0.000 0.771 345 G HN 0.395 nan 8.290 nan 0.000 0.545 346 E N -0.607 119.570 120.200 -0.038 0.000 2.279 346 E HA 0.246 4.594 4.350 -0.003 0.000 0.199 346 E C 2.551 179.008 176.600 -0.239 0.000 0.893 346 E CA -0.356 55.998 56.400 -0.076 0.000 0.978 346 E CB -0.073 29.639 29.700 0.019 0.000 0.964 346 E HN 0.205 nan 8.360 nan 0.000 0.486 347 L N 1.259 122.223 121.223 -0.432 0.000 2.017 347 L HA -0.143 4.195 4.340 -0.003 0.000 0.208 347 L C 2.534 179.091 176.870 -0.523 0.000 1.073 347 L CA 1.393 55.716 54.840 -0.862 0.000 0.745 347 L CB -0.467 40.864 42.059 -1.213 0.000 0.894 347 L HN 0.165 nan 8.230 nan 0.000 0.432 348 A N 0.102 122.797 122.820 -0.209 0.000 1.843 348 A HA -0.117 4.201 4.320 -0.003 0.000 0.213 348 A C 2.035 179.613 177.584 -0.011 0.000 1.239 348 A CA 1.198 53.224 52.037 -0.019 0.000 0.606 348 A CB -0.577 18.441 19.000 0.030 0.000 0.903 348 A HN 0.341 nan 8.150 nan 0.000 0.455 349 N N 0.061 118.747 118.700 -0.024 0.000 2.104 349 N HA -0.135 4.603 4.740 -0.003 0.000 0.190 349 N C 1.654 177.156 175.510 -0.013 0.000 1.024 349 N CA 1.831 54.875 53.050 -0.010 0.000 0.853 349 N CB -0.278 38.204 38.487 -0.008 0.000 1.008 349 N HN 0.697 nan 8.380 nan 0.000 0.424 350 E N -0.603 119.576 120.200 -0.035 0.000 2.132 350 E HA 0.121 4.469 4.350 -0.003 0.000 0.193 350 E C 1.696 178.279 176.600 -0.029 0.000 0.951 350 E CA 0.142 56.523 56.400 -0.030 0.000 0.843 350 E CB 0.320 30.004 29.700 -0.027 0.000 0.807 350 E HN 0.127 nan 8.360 nan 0.000 0.467 351 I N 0.656 121.189 120.570 -0.061 0.000 2.260 351 I HA -0.006 4.162 4.170 -0.003 0.000 0.237 351 I C 2.534 178.766 176.117 0.192 0.000 1.075 351 I CA 1.338 62.647 61.300 0.016 0.000 1.376 351 I CB -1.720 36.220 38.000 -0.101 0.000 1.107 351 I HN 0.126 nan 8.210 nan 0.000 0.420 352 G N 1.276 110.180 108.800 0.173 0.000 2.491 352 G HA2 -0.375 3.583 3.960 -0.003 0.000 0.218 352 G HA3 -0.375 3.583 3.960 -0.003 0.000 0.218 352 G C 1.523 176.558 174.900 0.225 0.000 1.180 352 G CA 1.514 46.803 45.100 0.316 0.000 0.774 352 G HN 0.429 nan 8.290 nan 0.000 0.562 353 N N -0.082 118.692 118.700 0.123 0.000 2.149 353 N HA -0.105 4.633 4.740 -0.003 0.000 0.188 353 N C 2.082 177.632 175.510 0.067 0.000 1.019 353 N CA 1.205 54.302 53.050 0.079 0.000 0.857 353 N CB -0.273 38.236 38.487 0.038 0.000 0.997 353 N HN 0.230 nan 8.380 nan 0.000 0.426 354 L N -0.216 121.033 121.223 0.043 0.000 2.012 354 L HA -0.140 4.198 4.340 -0.003 0.000 0.210 354 L C 1.554 178.393 176.870 -0.051 0.000 1.073 354 L CA 1.728 56.543 54.840 -0.042 0.000 0.748 354 L CB -1.219 40.762 42.059 -0.130 0.000 0.891 354 L HN 0.271 nan 8.230 nan 0.000 0.431 355 Y N -0.689 119.615 120.300 0.006 0.000 2.128 355 Y HA -0.302 4.246 4.550 -0.003 0.000 0.284 355 Y C 3.084 178.987 175.900 0.005 0.000 1.154 355 Y CA 2.262 60.368 58.100 0.009 0.000 1.149 355 Y CB -0.823 37.660 38.460 0.038 0.000 0.976 355 Y HN 0.335 nan 8.280 nan 0.000 0.505 356 S N 0.233 116.041 115.700 0.181 0.000 2.351 356 S HA -0.255 4.213 4.470 -0.003 0.000 0.220 356 S C 2.210 176.838 174.600 0.047 0.000 1.035 356 S CA 1.815 60.074 58.200 0.098 0.000 1.031 356 S CB -0.372 62.875 63.200 0.078 0.000 0.928 356 S HN 0.561 nan 8.310 nan 0.000 0.433 357 R N 0.241 120.758 120.500 0.029 0.000 2.193 357 R HA -0.007 4.331 4.340 -0.003 0.000 0.229 357 R C 1.805 178.101 176.300 -0.005 0.000 1.110 357 R CA 1.571 57.676 56.100 0.008 0.000 0.988 357 R CB -0.498 29.812 30.300 0.017 0.000 0.871 357 R HN 0.410 nan 8.270 nan 0.000 0.458 358 V N 0.587 120.490 119.914 -0.018 0.000 2.492 358 V HA -0.071 4.047 4.120 -0.003 0.000 0.241 358 V C 2.329 178.394 176.094 -0.048 0.000 1.041 358 V CA 0.803 63.076 62.300 -0.046 0.000 1.057 358 V CB 0.295 32.058 31.823 -0.100 0.000 0.711 358 V HN 0.112 nan 8.190 nan 0.000 0.468 359 V N 1.326 121.235 119.914 -0.009 0.000 2.720 359 V HA -0.264 3.855 4.120 -0.003 0.000 0.256 359 V C 2.199 178.312 176.094 0.032 0.000 1.082 359 V CA 2.267 64.572 62.300 0.008 0.000 1.101 359 V CB -1.049 30.827 31.823 0.088 0.000 0.693 359 V HN 0.686 nan 8.190 nan 0.000 0.479 360 N N 0.198 118.902 118.700 0.006 0.000 2.028 360 N HA -0.193 4.545 4.740 -0.003 0.000 0.194 360 N C 2.024 177.445 175.510 -0.149 0.000 1.050 360 N CA 1.854 54.888 53.050 -0.027 0.000 0.848 360 N CB -0.100 38.348 38.487 -0.065 0.000 1.038 360 N HN 0.359 nan 8.380 nan 0.000 0.423 361 M N 1.058 120.493 119.600 -0.275 0.000 2.110 361 M HA -0.223 4.255 4.480 -0.003 0.000 0.257 361 M C 2.554 178.661 176.300 -0.321 0.000 1.071 361 M CA 2.025 56.976 55.300 -0.581 0.000 1.096 361 M CB -0.769 31.644 32.600 -0.312 0.000 1.300 361 M HN 0.300 nan 8.290 nan 0.000 0.411 362 A N -0.387 122.353 122.820 -0.134 0.000 1.958 362 A HA -0.245 4.073 4.320 -0.003 0.000 0.221 362 A C 1.909 179.444 177.584 -0.081 0.000 1.178 362 A CA 2.026 54.011 52.037 -0.087 0.000 0.642 362 A CB -1.141 17.772 19.000 -0.145 0.000 0.816 362 A HN 0.531 nan 8.150 nan 0.000 0.453 363 H N -1.020 118.018 119.070 -0.054 0.000 2.372 363 H HA -0.008 4.546 4.556 -0.003 0.000 0.301 363 H C 2.119 177.434 175.328 -0.020 0.000 1.065 363 H CA 1.694 57.725 56.048 -0.028 0.000 1.364 363 H CB -0.101 29.640 29.762 -0.035 0.000 1.406 363 H HN 0.652 nan 8.280 nan 0.000 0.521 364 K N 0.219 120.640 120.400 0.036 0.000 2.076 364 K HA -0.042 4.276 4.320 -0.003 0.000 0.204 364 K C 1.811 178.575 176.600 0.273 0.000 1.051 364 K CA 0.924 57.236 56.287 0.042 0.000 0.949 364 K CB 0.017 32.431 32.500 -0.145 0.000 0.726 364 K HN 0.171 nan 8.250 nan 0.000 0.443 365 F N 0.102 120.098 119.950 0.076 0.000 2.374 365 F HA 0.097 4.622 4.527 -0.003 0.000 0.291 365 F C 1.404 177.229 175.800 0.041 0.000 1.084 365 F CA -0.082 57.952 58.000 0.057 0.000 1.413 365 F CB 0.430 39.464 39.000 0.056 0.000 1.099 365 F HN -0.115 nan 8.300 nan 0.000 0.534 366 L N 0.025 121.379 121.223 0.218 0.000 3.110 366 L HA 0.391 4.729 4.340 -0.003 0.000 0.266 366 L C 1.308 178.228 176.870 0.083 0.000 1.257 366 L CA 0.136 55.050 54.840 0.124 0.000 1.038 366 L CB 0.259 42.375 42.059 0.094 0.000 1.395 366 L HN 0.351 nan 8.230 nan 0.000 0.566 367 G N 0.455 109.320 108.800 0.107 0.000 2.196 367 G HA2 -0.335 3.623 3.960 -0.003 0.000 0.268 367 G HA3 -0.335 3.623 3.960 -0.003 0.000 0.268 367 G C 1.035 176.002 174.900 0.112 0.000 0.975 367 G CA 0.447 45.610 45.100 0.104 0.000 0.648 367 G HN 0.772 nan 8.290 nan 0.000 0.538 368 G N -1.178 107.644 108.800 0.037 0.000 2.201 368 G HA2 -0.161 3.797 3.960 -0.003 0.000 0.212 368 G HA3 -0.161 3.797 3.960 -0.003 0.000 0.212 368 G C -0.090 174.763 174.900 -0.078 0.000 0.994 368 G CA 0.918 45.955 45.100 -0.104 0.000 0.644 368 G HN 1.091 nan 8.290 nan 0.000 0.508 369 E N 0.350 120.541 120.200 -0.015 0.000 2.145 369 E HA 0.548 4.896 4.350 -0.003 0.000 0.270 369 E C -0.206 176.393 176.600 -0.002 0.000 0.906 369 E CA -0.604 55.792 56.400 -0.006 0.000 0.761 369 E CB 2.251 31.948 29.700 -0.005 0.000 1.116 369 E HN 0.715 nan 8.360 nan 0.000 0.408 370 V N 0.591 120.516 119.914 0.018 0.000 2.531 370 V HA 0.811 4.929 4.120 -0.003 0.000 0.301 370 V C -0.367 175.673 176.094 -0.090 0.000 1.034 370 V CA -0.362 61.952 62.300 0.024 0.000 0.865 370 V CB 1.696 33.585 31.823 0.109 0.000 0.995 370 V HN 0.519 nan 8.190 nan 0.000 0.424 371 S N 2.120 117.688 115.700 -0.219 0.000 2.720 371 S HA 1.066 5.534 4.470 -0.003 0.000 0.287 371 S C 0.028 174.394 174.600 -0.391 0.000 1.168 371 S CA -0.052 57.823 58.200 -0.542 0.000 0.832 371 S CB 1.848 64.845 63.200 -0.338 0.000 1.166 371 S HN 2.079 nan 8.310 nan 0.000 0.493 372 G N -0.040 108.522 108.800 -0.397 0.000 2.362 372 G HA2 0.532 4.490 3.960 -0.003 0.000 0.288 372 G HA3 0.532 4.490 3.960 -0.003 0.000 0.288 372 G C -0.832 174.100 174.900 0.054 0.000 1.305 372 G CA -0.188 44.865 45.100 -0.077 0.000 0.910 372 G HN 1.060 nan 8.290 nan 0.000 0.518 373 A N -0.522 122.355 122.820 0.095 0.000 2.292 373 A HA 0.804 5.122 4.320 -0.003 0.000 0.265 373 A C 0.724 178.380 177.584 0.121 0.000 1.133 373 A CA 0.143 52.225 52.037 0.075 0.000 0.807 373 A CB 0.349 19.378 19.000 0.049 0.000 1.102 373 A HN 0.807 nan 8.150 nan 0.000 0.502 374 R N -0.176 120.315 120.500 -0.016 0.000 2.604 374 R HA 0.363 4.701 4.340 -0.003 0.000 0.287 374 R C -1.343 175.025 176.300 0.114 0.000 0.970 374 R CA -0.697 55.339 56.100 -0.107 0.000 0.946 374 R CB 1.184 31.211 30.300 -0.454 0.000 1.127 374 R HN 0.703 nan 8.270 nan 0.000 0.473 375 D N 2.247 122.833 120.400 0.310 0.000 2.518 375 D HA 0.035 4.673 4.640 -0.003 0.000 0.230 375 D C 0.485 176.993 176.300 0.346 0.000 1.138 375 D CA -0.168 54.032 54.000 0.333 0.000 0.964 375 D CB 0.714 41.776 40.800 0.435 0.000 1.011 375 D HN 0.373 nan 8.370 nan 0.000 0.517 376 E N 1.781 122.104 120.200 0.204 0.000 2.233 376 E HA -0.260 4.089 4.350 -0.003 0.000 0.199 376 E C 1.309 177.997 176.600 0.147 0.000 1.004 376 E CA 0.798 57.287 56.400 0.148 0.000 0.819 376 E CB 0.150 29.901 29.700 0.085 0.000 0.738 376 E HN 0.735 nan 8.360 nan 0.000 0.478 377 E N -0.388 119.929 120.200 0.196 0.000 2.150 377 E HA -0.189 4.159 4.350 -0.003 0.000 0.193 377 E C 1.952 178.699 176.600 0.245 0.000 0.985 377 E CA 0.617 57.135 56.400 0.196 0.000 0.814 377 E CB -0.102 29.731 29.700 0.221 0.000 0.752 377 E HN 0.325 nan 8.360 nan 0.000 0.466 378 Y N 0.349 120.789 120.300 0.232 0.000 2.269 378 Y HA 0.119 4.667 4.550 -0.003 0.000 0.294 378 Y C 1.962 177.927 175.900 0.109 0.000 1.120 378 Y CA 1.237 59.469 58.100 0.220 0.000 1.159 378 Y CB -0.676 37.915 38.460 0.218 0.000 1.024 378 Y HN 0.062 nan 8.280 nan 0.000 0.532 379 A N 1.328 123.989 122.820 -0.266 0.000 1.908 379 A HA -0.194 4.124 4.320 -0.003 0.000 0.218 379 A C 2.252 179.677 177.584 -0.265 0.000 1.181 379 A CA 2.067 53.897 52.037 -0.346 0.000 0.627 379 A CB -0.596 18.430 19.000 0.044 0.000 0.818 379 A HN 0.523 nan 8.150 nan 0.000 0.445 380 K N -0.625 119.700 120.400 -0.126 0.000 2.057 380 K HA -0.054 4.264 4.320 -0.003 0.000 0.206 380 K C 1.857 178.364 176.600 -0.154 0.000 1.050 380 K CA 1.219 57.444 56.287 -0.104 0.000 0.935 380 K CB -0.309 32.169 32.500 -0.037 0.000 0.715 380 K HN 0.393 nan 8.250 nan 0.000 0.439 381 I N 1.256 121.720 120.570 -0.178 0.000 2.226 381 I HA -0.218 3.950 4.170 -0.003 0.000 0.245 381 I C 2.501 178.457 176.117 -0.268 0.000 1.100 381 I CA 1.184 62.341 61.300 -0.237 0.000 1.374 381 I CB -1.192 36.547 38.000 -0.436 0.000 1.057 381 I HN 0.096 nan 8.210 nan 0.000 0.413 382 A N -0.118 122.485 122.820 -0.361 0.000 1.930 382 A HA -0.259 4.059 4.320 -0.003 0.000 0.217 382 A C 2.318 179.636 177.584 -0.443 0.000 1.175 382 A CA 1.662 53.410 52.037 -0.481 0.000 0.627 382 A CB -0.666 17.908 19.000 -0.710 0.000 0.815 382 A HN 0.499 nan 8.150 nan 0.000 0.443 383 Q N -0.688 118.919 119.800 -0.321 0.000 2.119 383 Q HA -0.189 4.149 4.340 -0.003 0.000 0.201 383 Q C 2.068 177.957 176.000 -0.185 0.000 0.972 383 Q CA 1.650 57.319 55.803 -0.223 0.000 0.847 383 Q CB -0.107 28.538 28.738 -0.157 0.000 0.903 383 Q HN 0.810 nan 8.270 nan 0.000 0.433 384 E N -0.826 119.270 120.200 -0.174 0.000 2.107 384 E HA -0.130 4.218 4.350 -0.003 0.000 0.191 384 E C 1.876 178.395 176.600 -0.136 0.000 0.982 384 E CA 1.026 57.349 56.400 -0.128 0.000 0.809 384 E CB 0.065 29.706 29.700 -0.099 0.000 0.756 384 E HN 0.218 nan 8.360 nan 0.000 0.459 385 S N 1.048 116.623 115.700 -0.208 0.000 2.348 385 S HA -0.158 4.310 4.470 -0.003 0.000 0.221 385 S C 2.054 176.538 174.600 -0.193 0.000 1.033 385 S CA 1.254 59.323 58.200 -0.218 0.000 1.010 385 S CB -0.361 62.581 63.200 -0.431 0.000 0.891 385 S HN 0.517 nan 8.310 nan 0.000 0.442 386 I N 0.932 121.329 120.570 -0.288 0.000 2.286 386 I HA -0.202 3.966 4.170 -0.003 0.000 0.248 386 I C 2.219 178.334 176.117 -0.004 0.000 1.115 386 I CA 1.723 62.922 61.300 -0.167 0.000 1.392 386 I CB -0.244 37.623 38.000 -0.221 0.000 1.065 386 I HN 0.202 nan 8.210 nan 0.000 0.418 387 K N 1.249 121.611 120.400 -0.065 0.000 1.991 387 K HA -0.227 4.091 4.320 -0.003 0.000 0.212 387 K C 1.875 178.439 176.600 -0.059 0.000 1.049 387 K CA 2.161 58.417 56.287 -0.052 0.000 0.932 387 K CB -0.222 32.232 32.500 -0.076 0.000 0.717 387 K HN 0.430 nan 8.250 nan 0.000 0.441 388 N N 0.155 118.813 118.700 -0.069 0.000 2.272 388 N HA -0.209 4.529 4.740 -0.003 0.000 0.185 388 N C 1.642 177.116 175.510 -0.060 0.000 1.014 388 N CA 1.142 54.112 53.050 -0.133 0.000 0.870 388 N CB -0.465 37.998 38.487 -0.040 0.000 0.975 388 N HN 0.360 nan 8.380 nan 0.000 0.433 389 Y N 2.142 122.414 120.300 -0.046 0.000 2.114 389 Y HA -0.142 4.406 4.550 -0.003 0.000 0.284 389 Y C 2.057 177.954 175.900 -0.006 0.000 1.143 389 Y CA 1.659 59.779 58.100 0.034 0.000 1.135 389 Y CB -0.295 38.169 38.460 0.006 0.000 0.980 389 Y HN 0.062 nan 8.280 nan 0.000 0.499 390 E N -0.181 120.013 120.200 -0.010 0.000 2.153 390 E HA -0.208 4.140 4.350 -0.003 0.000 0.194 390 E C 1.735 178.184 176.600 -0.252 0.000 0.988 390 E CA 1.143 57.466 56.400 -0.128 0.000 0.811 390 E CB -0.290 29.460 29.700 0.082 0.000 0.746 390 E HN 0.518 nan 8.360 nan 0.000 0.466 391 N N -0.083 118.463 118.700 -0.256 0.000 2.309 391 N HA -0.123 4.615 4.740 -0.003 0.000 0.182 391 N C 1.214 176.511 175.510 -0.355 0.000 1.018 391 N CA 0.957 53.815 53.050 -0.321 0.000 0.876 391 N CB -0.065 38.183 38.487 -0.397 0.000 0.972 391 N HN 0.218 nan 8.380 nan 0.000 0.434 392 Y N -0.529 119.618 120.300 -0.254 0.000 2.262 392 Y HA 0.131 4.679 4.550 -0.003 0.000 0.295 392 Y C 2.066 177.687 175.900 -0.464 0.000 1.121 392 Y CA 0.437 58.369 58.100 -0.280 0.000 1.144 392 Y CB -0.473 37.856 38.460 -0.218 0.000 1.043 392 Y HN -0.042 nan 8.280 nan 0.000 0.528 393 M N 0.569 119.864 119.600 -0.509 0.000 2.149 393 M HA -0.214 4.265 4.480 -0.003 0.000 0.261 393 M C 1.864 177.642 176.300 -0.869 0.000 1.064 393 M CA 1.639 56.424 55.300 -0.860 0.000 1.102 393 M CB -0.427 31.414 32.600 -1.264 0.000 1.369 393 M HN 0.219 nan 8.290 nan 0.000 0.408 394 E N -0.876 118.912 120.200 -0.687 0.000 2.153 394 E HA -0.197 4.151 4.350 -0.003 0.000 0.194 394 E C 1.364 177.781 176.600 -0.304 0.000 0.988 394 E CA 1.108 57.218 56.400 -0.483 0.000 0.811 394 E CB 0.044 29.569 29.700 -0.291 0.000 0.746 394 E HN 0.382 nan 8.360 nan 0.000 0.466 395 K N -0.631 119.616 120.400 -0.255 0.000 2.404 395 K HA 0.060 4.378 4.320 -0.003 0.000 0.194 395 K C -0.001 176.492 176.600 -0.178 0.000 1.023 395 K CA 0.244 56.458 56.287 -0.122 0.000 1.094 395 K CB 0.895 33.380 32.500 -0.025 0.000 0.841 395 K HN -0.082 nan 8.250 nan 0.000 0.523 396 V N 0.008 119.636 119.914 -0.477 0.000 3.129 396 V HA -0.262 3.856 4.120 -0.003 0.000 0.179 396 V C 0.017 175.509 176.094 -1.004 0.000 0.447 396 V CA 0.938 62.687 62.300 -0.917 0.000 1.137 396 V CB -2.059 29.327 31.823 -0.728 0.000 1.301 396 V HN 0.538 nan 8.190 nan 0.000 1.146 397 N N 0.588 118.984 118.700 -0.507 0.000 2.971 397 N HA 0.217 4.955 4.740 -0.003 0.000 0.294 397 N C 0.815 176.140 175.510 -0.309 0.000 1.210 397 N CA 0.122 53.023 53.050 -0.250 0.000 1.157 397 N CB -0.422 38.044 38.487 -0.033 0.000 1.450 397 N HN 0.552 nan 8.380 nan 0.000 0.527 398 F N 0.608 120.413 119.950 -0.242 0.000 2.126 398 F HA -0.268 4.258 4.527 -0.003 0.000 0.299 398 F C 1.937 177.665 175.800 -0.119 0.000 1.096 398 F CA 1.110 58.967 58.000 -0.238 0.000 1.255 398 F CB -0.516 38.290 39.000 -0.324 0.000 0.997 398 F HN 0.393 nan 8.300 nan 0.000 0.479 399 Y N 1.299 121.619 120.300 0.033 0.000 2.053 399 Y HA -0.332 4.216 4.550 -0.003 0.000 0.277 399 Y C 2.435 178.253 175.900 -0.135 0.000 1.159 399 Y CA 1.960 60.036 58.100 -0.040 0.000 1.125 399 Y CB -0.524 37.923 38.460 -0.021 0.000 0.969 399 Y HN -0.180 nan 8.280 nan 0.000 0.492 400 K N 0.146 120.404 120.400 -0.236 0.000 2.147 400 K HA -0.043 4.276 4.320 -0.003 0.000 0.205 400 K C 2.178 178.487 176.600 -0.483 0.000 1.049 400 K CA 1.146 57.063 56.287 -0.615 0.000 0.936 400 K CB -0.691 31.064 32.500 -1.243 0.000 0.722 400 K HN 0.438 nan 8.250 nan 0.000 0.446 401 A N 0.272 122.953 122.820 -0.231 0.000 1.930 401 A HA -0.071 4.247 4.320 -0.003 0.000 0.217 401 A C 2.103 179.766 177.584 0.132 0.000 1.175 401 A CA 1.263 53.313 52.037 0.022 0.000 0.627 401 A CB -0.509 18.425 19.000 -0.110 0.000 0.815 401 A HN 0.254 nan 8.150 nan 0.000 0.443 402 I N -0.657 119.926 120.570 0.022 0.000 2.394 402 I HA -0.203 3.965 4.170 -0.003 0.000 0.251 402 I C 2.444 178.558 176.117 -0.005 0.000 1.136 402 I CA 1.453 62.780 61.300 0.046 0.000 1.425 402 I CB -0.272 37.689 38.000 -0.065 0.000 1.079 402 I HN 0.520 nan 8.210 nan 0.000 0.425 403 E N 1.200 121.313 120.200 -0.144 0.000 2.051 403 E HA -0.246 4.102 4.350 -0.003 0.000 0.192 403 E C 2.045 178.651 176.600 0.009 0.000 0.991 403 E CA 1.216 57.532 56.400 -0.140 0.000 0.799 403 E CB 0.157 29.694 29.700 -0.272 0.000 0.748 403 E HN 0.332 nan 8.360 nan 0.000 0.449 404 E N 0.563 120.805 120.200 0.071 0.000 2.085 404 E HA -0.198 4.150 4.350 -0.003 0.000 0.194 404 E C 2.191 178.892 176.600 0.168 0.000 0.994 404 E CA 0.759 57.250 56.400 0.152 0.000 0.801 404 E CB -0.168 29.675 29.700 0.239 0.000 0.743 404 E HN 0.415 nan 8.360 nan 0.000 0.453 405 I N 0.799 121.473 120.570 0.172 0.000 2.127 405 I HA -0.274 3.894 4.170 -0.003 0.000 0.241 405 I C 2.432 178.658 176.117 0.180 0.000 1.075 405 I CA 0.937 62.340 61.300 0.172 0.000 1.334 405 I CB -1.149 36.959 38.000 0.181 0.000 1.040 405 I HN 0.133 nan 8.210 nan 0.000 0.405 406 L N 0.854 122.158 121.223 0.136 0.000 1.989 406 L HA -0.207 4.131 4.340 -0.003 0.000 0.211 406 L C 2.566 179.504 176.870 0.113 0.000 1.071 406 L CA 1.826 56.730 54.840 0.105 0.000 0.749 406 L CB -1.132 40.969 42.059 0.070 0.000 0.890 406 L HN 0.233 nan 8.230 nan 0.000 0.431 407 K N -1.687 118.788 120.400 0.126 0.000 2.020 407 K HA -0.253 4.065 4.320 -0.003 0.000 0.212 407 K C 2.120 178.851 176.600 0.217 0.000 1.050 407 K CA 1.732 58.108 56.287 0.148 0.000 0.929 407 K CB -0.507 32.076 32.500 0.138 0.000 0.714 407 K HN 0.094 nan 8.250 nan 0.000 0.443 408 F N 2.210 122.202 119.950 0.070 0.000 2.126 408 F HA -0.248 4.277 4.527 -0.003 0.000 0.299 408 F C 2.215 178.093 175.800 0.131 0.000 1.096 408 F CA 1.665 59.716 58.000 0.084 0.000 1.255 408 F CB -0.687 38.327 39.000 0.023 0.000 0.997 408 F HN -0.014 nan 8.300 nan 0.000 0.479 409 T N -0.892 113.694 114.554 0.053 0.000 2.746 409 T HA -0.168 4.180 4.350 -0.003 0.000 0.267 409 T C 2.291 176.957 174.700 -0.056 0.000 1.039 409 T CA 1.642 63.701 62.100 -0.067 0.000 1.142 409 T CB -0.489 68.379 68.868 0.001 0.000 0.866 409 T HN 0.217 nan 8.240 nan 0.000 0.444 410 S N 0.262 115.977 115.700 0.025 0.000 2.368 410 S HA -0.091 4.377 4.470 -0.003 0.000 0.225 410 S C 1.699 176.321 174.600 0.037 0.000 1.030 410 S CA 0.959 59.179 58.200 0.032 0.000 0.999 410 S CB -0.454 62.785 63.200 0.066 0.000 0.844 410 S HN 0.631 nan 8.310 nan 0.000 0.459 411 Y N 2.269 122.537 120.300 -0.054 0.000 2.128 411 Y HA -0.146 4.402 4.550 -0.003 0.000 0.284 411 Y C 1.819 177.669 175.900 -0.083 0.000 1.154 411 Y CA 1.477 59.554 58.100 -0.037 0.000 1.149 411 Y CB -0.495 37.956 38.460 -0.016 0.000 0.976 411 Y HN 0.147 nan 8.280 nan 0.000 0.505 412 L N 0.326 121.403 121.223 -0.245 0.000 2.131 412 L HA -0.233 4.105 4.340 -0.003 0.000 0.210 412 L C 2.232 178.969 176.870 -0.222 0.000 1.092 412 L CA 1.137 55.757 54.840 -0.367 0.000 0.759 412 L CB -0.636 41.157 42.059 -0.444 0.000 0.903 412 L HN 0.297 nan 8.230 nan 0.000 0.435 413 N N 0.439 119.051 118.700 -0.147 0.000 2.106 413 N HA -0.145 4.593 4.740 -0.003 0.000 0.188 413 N C 1.801 177.276 175.510 -0.057 0.000 1.029 413 N CA 1.209 54.213 53.050 -0.076 0.000 0.848 413 N CB -0.071 38.389 38.487 -0.044 0.000 1.007 413 N HN 0.304 nan 8.380 nan 0.000 0.423 414 K N 0.120 120.467 120.400 -0.088 0.000 2.009 414 K HA -0.182 4.136 4.320 -0.003 0.000 0.210 414 K C 2.001 178.530 176.600 -0.119 0.000 1.049 414 K CA 1.177 57.410 56.287 -0.090 0.000 0.929 414 K CB -0.484 31.954 32.500 -0.105 0.000 0.714 414 K HN 0.147 nan 8.250 nan 0.000 0.440 415 Y N 1.564 121.635 120.300 -0.382 0.000 2.002 415 Y HA -0.407 4.141 4.550 -0.003 0.000 0.268 415 Y C 2.174 177.944 175.900 -0.216 0.000 1.177 415 Y CA 1.852 59.730 58.100 -0.369 0.000 1.111 415 Y CB -0.632 37.541 38.460 -0.479 0.000 0.952 415 Y HN -0.188 nan 8.280 nan 0.000 0.491 416 V N 0.469 120.425 119.914 0.071 0.000 2.236 416 V HA -0.434 3.684 4.120 -0.003 0.000 0.255 416 V C 2.202 178.305 176.094 0.014 0.000 1.068 416 V CA 2.323 64.660 62.300 0.063 0.000 1.044 416 V CB -0.904 30.987 31.823 0.112 0.000 0.653 416 V HN 0.499 nan 8.190 nan 0.000 0.448 417 D N -0.555 119.882 120.400 0.063 0.000 2.103 417 D HA -0.187 4.452 4.640 -0.003 0.000 0.190 417 D C 2.281 178.564 176.300 -0.028 0.000 0.997 417 D CA 1.883 55.945 54.000 0.105 0.000 0.833 417 D CB -0.194 40.648 40.800 0.070 0.000 0.961 417 D HN 0.594 nan 8.370 nan 0.000 0.447 418 E N -0.221 119.906 120.200 -0.120 0.000 2.023 418 E HA -0.193 4.155 4.350 -0.003 0.000 0.196 418 E C 2.086 178.529 176.600 -0.262 0.000 1.003 418 E CA 1.052 57.346 56.400 -0.176 0.000 0.809 418 E CB -0.093 29.476 29.700 -0.218 0.000 0.755 418 E HN 0.093 nan 8.360 nan 0.000 0.449 419 K N 1.173 121.346 120.400 -0.379 0.000 2.442 419 K HA -0.097 4.221 4.320 -0.003 0.000 0.198 419 K C 0.111 176.433 176.600 -0.463 0.000 1.042 419 K CA 0.338 56.380 56.287 -0.408 0.000 0.958 419 K CB -0.554 31.648 32.500 -0.496 0.000 0.766 419 K HN 0.246 nan 8.250 nan 0.000 0.474 420 Q N 0.053 119.492 119.800 -0.601 0.000 2.357 420 Q HA -0.177 4.161 4.340 -0.003 0.000 0.366 420 Q C -1.729 173.476 176.000 -1.325 0.000 1.256 420 Q CA 0.293 55.284 55.803 -1.353 0.000 1.183 420 Q CB -0.922 27.247 28.738 -0.948 0.000 1.346 420 Q HN 0.153 nan 8.270 nan 0.000 0.307 421 P HA -0.173 nan 4.420 nan 0.000 0.223 421 P C 0.682 177.807 177.300 -0.292 0.000 1.151 421 P CA 1.560 64.419 63.100 -0.403 0.000 0.787 421 P CB -0.396 31.256 31.700 -0.080 0.000 0.788 422 W N 0.466 121.848 121.300 0.137 0.000 2.468 422 W HA 0.182 4.840 4.660 -0.003 0.000 0.262 422 W C 1.827 178.270 176.519 -0.126 0.000 1.241 422 W CA 0.904 58.300 57.345 0.085 0.000 1.232 422 W CB -1.708 27.888 29.460 0.226 0.000 1.124 422 W HN -0.065 nan 8.180 nan 0.000 0.597 423 A N 0.877 123.488 122.820 -0.349 0.000 1.956 423 A HA 0.120 4.438 4.320 -0.003 0.000 0.212 423 A C 2.040 179.502 177.584 -0.202 0.000 1.188 423 A CA 0.797 52.729 52.037 -0.174 0.000 0.675 423 A CB -0.710 18.164 19.000 -0.211 0.000 0.845 423 A HN 0.334 nan 8.150 nan 0.000 0.455 424 L N 0.440 121.504 121.223 -0.264 0.000 2.083 424 L HA -0.190 4.148 4.340 -0.003 0.000 0.209 424 L C 2.491 179.242 176.870 -0.198 0.000 1.083 424 L CA 1.574 56.296 54.840 -0.198 0.000 0.752 424 L CB -0.593 41.358 42.059 -0.179 0.000 0.899 424 L HN 0.575 nan 8.230 nan 0.000 0.433 425 N N 0.633 119.150 118.700 -0.306 0.000 2.396 425 N HA -0.184 4.554 4.740 -0.003 0.000 0.180 425 N C 1.813 177.164 175.510 -0.265 0.000 1.028 425 N CA 0.952 53.778 53.050 -0.374 0.000 0.893 425 N CB 0.287 38.254 38.487 -0.866 0.000 0.967 425 N HN 0.171 nan 8.380 nan 0.000 0.440 426 K N 1.281 121.555 120.400 -0.209 0.000 2.031 426 K HA 0.014 4.332 4.320 -0.003 0.000 0.205 426 K C 1.260 177.810 176.600 -0.084 0.000 1.049 426 K CA 1.197 57.418 56.287 -0.110 0.000 0.939 426 K CB -0.006 32.467 32.500 -0.045 0.000 0.717 426 K HN 0.224 nan 8.250 nan 0.000 0.438 427 E N 0.489 120.635 120.200 -0.090 0.000 2.512 427 E HA -0.047 4.301 4.350 -0.003 0.000 0.195 427 E C 0.182 176.743 176.600 -0.065 0.000 1.083 427 E CA 0.141 56.499 56.400 -0.068 0.000 0.873 427 E CB 0.078 29.737 29.700 -0.070 0.000 0.897 427 E HN 0.250 nan 8.360 nan 0.000 0.514 428 R N 1.273 121.728 120.500 -0.075 0.000 3.840 428 R HA -0.210 4.129 4.340 -0.003 0.000 0.464 428 R C -0.729 175.538 176.300 -0.055 0.000 0.986 428 R CA 1.043 57.107 56.100 -0.060 0.000 1.305 428 R CB -1.772 28.503 30.300 -0.042 0.000 1.950 428 R HN 0.095 nan 8.270 nan 0.000 0.526 429 K N 2.127 122.488 120.400 -0.065 0.000 2.408 429 K HA 0.043 4.361 4.320 -0.003 0.000 0.231 429 K C 0.783 177.356 176.600 -0.046 0.000 1.261 429 K CA 0.231 56.486 56.287 -0.054 0.000 1.193 429 K CB 0.182 32.646 32.500 -0.061 0.000 1.431 429 K HN 0.286 nan 8.250 nan 0.000 0.243 430 K N 0.924 121.303 120.400 -0.036 0.000 2.360 430 K HA -0.190 4.128 4.320 -0.003 0.000 0.201 430 K C 1.153 177.747 176.600 -0.010 0.000 1.046 430 K CA 1.189 57.463 56.287 -0.022 0.000 0.940 430 K CB 0.114 32.604 32.500 -0.016 0.000 0.748 430 K HN 0.424 nan 8.250 nan 0.000 0.465 431 E N 0.385 120.578 120.200 -0.012 0.000 2.079 431 E HA -0.101 4.247 4.350 -0.003 0.000 0.191 431 E C 1.848 178.453 176.600 0.008 0.000 0.961 431 E CA 0.354 56.753 56.400 -0.002 0.000 0.823 431 E CB 0.118 29.815 29.700 -0.005 0.000 0.789 431 E HN 0.277 nan 8.360 nan 0.000 0.459 432 E N 1.006 121.204 120.200 -0.004 0.000 2.268 432 E HA -0.172 4.176 4.350 -0.003 0.000 0.195 432 E C 2.107 178.710 176.600 0.004 0.000 0.995 432 E CA 0.221 56.621 56.400 -0.001 0.000 0.836 432 E CB 0.151 29.837 29.700 -0.025 0.000 0.763 432 E HN 0.045 nan 8.360 nan 0.000 0.491 433 L N 1.279 122.498 121.223 -0.006 0.000 1.976 433 L HA -0.236 4.102 4.340 -0.003 0.000 0.209 433 L C 2.173 179.077 176.870 0.057 0.000 1.071 433 L CA 1.940 56.783 54.840 0.005 0.000 0.746 433 L CB -0.627 41.427 42.059 -0.008 0.000 0.890 433 L HN 0.109 nan 8.230 nan 0.000 0.432 434 Q N -0.384 119.452 119.800 0.059 0.000 2.077 434 Q HA -0.313 4.025 4.340 -0.003 0.000 0.206 434 Q C 2.313 178.403 176.000 0.149 0.000 0.989 434 Q CA 2.359 58.215 55.803 0.088 0.000 0.853 434 Q CB -0.332 28.434 28.738 0.046 0.000 0.907 434 Q HN 0.511 nan 8.270 nan 0.000 0.418 435 K N 0.095 120.573 120.400 0.131 0.000 2.160 435 K HA -0.176 4.142 4.320 -0.003 0.000 0.206 435 K C 1.717 178.440 176.600 0.206 0.000 1.047 435 K CA 1.207 57.603 56.287 0.181 0.000 0.930 435 K CB 0.082 32.657 32.500 0.124 0.000 0.720 435 K HN 0.050 nan 8.250 nan 0.000 0.450 436 V N 0.519 120.528 119.914 0.159 0.000 2.649 436 V HA -0.131 3.987 4.120 -0.003 0.000 0.248 436 V C 1.888 178.072 176.094 0.150 0.000 1.054 436 V CA 0.850 63.267 62.300 0.194 0.000 1.073 436 V CB -0.029 31.854 31.823 0.100 0.000 0.699 436 V HN 0.235 nan 8.190 nan 0.000 0.463 437 L N -1.343 119.955 121.223 0.125 0.000 2.127 437 L HA 0.000 4.339 4.340 -0.003 0.000 0.203 437 L C 2.237 179.159 176.870 0.086 0.000 1.080 437 L CA 1.634 56.522 54.840 0.080 0.000 0.768 437 L CB -1.194 40.925 42.059 0.100 0.000 0.924 437 L HN 0.396 nan 8.230 nan 0.000 0.444 438 Y N 0.823 121.142 120.300 0.032 0.000 2.114 438 Y HA -0.324 4.224 4.550 -0.003 0.000 0.282 438 Y C 2.382 178.287 175.900 0.008 0.000 1.165 438 Y CA 1.382 59.538 58.100 0.093 0.000 1.148 438 Y CB -0.723 37.853 38.460 0.194 0.000 0.972 438 Y HN 0.157 nan 8.280 nan 0.000 0.504 439 A N -0.164 122.606 122.820 -0.083 0.000 1.883 439 A HA -0.175 4.143 4.320 -0.003 0.000 0.217 439 A C 2.235 179.320 177.584 -0.831 0.000 1.186 439 A CA 1.824 53.535 52.037 -0.542 0.000 0.624 439 A CB -1.165 17.562 19.000 -0.454 0.000 0.822 439 A HN 0.436 nan 8.150 nan 0.000 0.444 440 L N -0.627 120.271 121.223 -0.541 0.000 1.961 440 L HA -0.129 4.209 4.340 -0.003 0.000 0.210 440 L C 2.671 179.302 176.870 -0.398 0.000 1.072 440 L CA 2.040 56.586 54.840 -0.489 0.000 0.749 440 L CB -1.062 40.842 42.059 -0.257 0.000 0.889 440 L HN 0.273 nan 8.230 nan 0.000 0.432 441 V N -0.012 119.722 119.914 -0.300 0.000 2.332 441 V HA -0.305 3.813 4.120 -0.003 0.000 0.248 441 V C 2.335 178.119 176.094 -0.517 0.000 1.055 441 V CA 2.411 64.503 62.300 -0.347 0.000 1.038 441 V CB -0.524 31.126 31.823 -0.287 0.000 0.651 441 V HN 0.709 nan 8.190 nan 0.000 0.450 442 D N -0.266 119.802 120.400 -0.553 0.000 2.178 442 D HA -0.106 4.532 4.640 -0.003 0.000 0.201 442 D C 2.034 178.250 176.300 -0.140 0.000 0.980 442 D CA 1.515 55.240 54.000 -0.457 0.000 0.842 442 D CB -0.289 40.274 40.800 -0.396 0.000 0.948 442 D HN 0.558 nan 8.370 nan 0.000 0.472 443 G N 0.886 109.558 108.800 -0.213 0.000 2.422 443 G HA2 -0.157 3.801 3.960 -0.003 0.000 0.218 443 G HA3 -0.157 3.801 3.960 -0.003 0.000 0.218 443 G C 1.996 176.916 174.900 0.033 0.000 1.140 443 G CA 0.232 45.347 45.100 0.025 0.000 0.775 443 G HN 0.321 nan 8.290 nan 0.000 0.545 444 L N -0.899 120.236 121.223 -0.146 0.000 2.156 444 L HA 0.072 4.410 4.340 -0.003 0.000 0.208 444 L C 2.499 179.425 176.870 0.092 0.000 1.095 444 L CA 0.463 55.199 54.840 -0.174 0.000 0.770 444 L CB -0.350 41.528 42.059 -0.302 0.000 0.914 444 L HN 0.186 nan 8.230 nan 0.000 0.439 445 F N 0.437 120.346 119.950 -0.069 0.000 2.102 445 F HA -0.199 4.326 4.527 -0.003 0.000 0.298 445 F C 2.289 178.239 175.800 0.250 0.000 1.105 445 F CA 1.476 59.531 58.000 0.093 0.000 1.239 445 F CB -0.352 38.692 39.000 0.073 0.000 0.991 445 F HN -0.267 nan 8.300 nan 0.000 0.474 446 V N 0.305 120.357 119.914 0.231 0.000 2.233 446 V HA -0.301 3.817 4.120 -0.003 0.000 0.247 446 V C 2.405 178.575 176.094 0.128 0.000 1.050 446 V CA 1.819 64.172 62.300 0.088 0.000 1.010 446 V CB -1.018 30.841 31.823 0.061 0.000 0.637 446 V HN 0.397 nan 8.190 nan 0.000 0.444 447 L N 0.234 121.599 121.223 0.237 0.000 2.137 447 L HA -0.213 4.125 4.340 -0.003 0.000 0.213 447 L C 2.387 179.392 176.870 0.224 0.000 1.085 447 L CA 2.548 57.527 54.840 0.231 0.000 0.760 447 L CB -1.147 41.020 42.059 0.179 0.000 0.893 447 L HN 0.411 nan 8.230 nan 0.000 0.434 448 T N -1.537 113.171 114.554 0.257 0.000 2.746 448 T HA -0.168 4.180 4.350 -0.003 0.000 0.267 448 T C 1.716 176.546 174.700 0.217 0.000 1.039 448 T CA 1.540 63.794 62.100 0.257 0.000 1.142 448 T CB -0.413 68.544 68.868 0.149 0.000 0.866 448 T HN 0.539 nan 8.240 nan 0.000 0.444 449 H N 0.886 119.999 119.070 0.071 0.000 2.326 449 H HA 0.069 4.623 4.556 -0.003 0.000 0.301 449 H C 2.424 177.744 175.328 -0.013 0.000 1.081 449 H CA 1.073 57.153 56.048 0.054 0.000 1.334 449 H CB -0.323 29.393 29.762 -0.078 0.000 1.385 449 H HN 0.277 nan 8.280 nan 0.000 0.504 450 L N 0.529 121.737 121.223 -0.024 0.000 2.013 450 L HA -0.231 4.107 4.340 -0.003 0.000 0.212 450 L C 2.610 179.462 176.870 -0.030 0.000 1.073 450 L CA 1.208 55.836 54.840 -0.352 0.000 0.753 450 L CB -0.524 41.262 42.059 -0.455 0.000 0.890 450 L HN 0.192 nan 8.230 nan 0.000 0.432 451 L N -1.951 119.332 121.223 0.101 0.000 2.240 451 L HA -0.194 4.144 4.340 -0.003 0.000 0.211 451 L C 2.568 179.524 176.870 0.142 0.000 1.106 451 L CA 0.512 55.453 54.840 0.167 0.000 0.793 451 L CB -0.579 41.599 42.059 0.199 0.000 0.927 451 L HN 0.180 nan 8.230 nan 0.000 0.446 452 Y N 2.014 122.333 120.300 0.031 0.000 2.132 452 Y HA -0.258 4.290 4.550 -0.003 0.000 0.280 452 Y C -0.604 175.258 175.900 -0.063 0.000 1.193 452 Y CA 1.960 60.012 58.100 -0.080 0.000 1.157 452 Y CB -1.580 36.641 38.460 -0.398 0.000 0.966 452 Y HN 0.148 nan 8.280 nan 0.000 0.511 453 P HA -0.175 nan 4.420 nan 0.000 0.216 453 P C 1.974 179.121 177.300 -0.254 0.000 1.153 453 P CA 2.311 65.206 63.100 -0.342 0.000 0.848 453 P CB -0.217 31.504 31.700 0.035 0.000 0.787 454 I N -3.058 117.460 120.570 -0.087 0.000 2.480 454 I HA 0.028 4.196 4.170 -0.003 0.000 0.251 454 I C 0.569 176.675 176.117 -0.018 0.000 1.124 454 I CA 1.368 62.638 61.300 -0.051 0.000 1.444 454 I CB 0.215 38.246 38.000 0.052 0.000 1.098 454 I HN -0.172 nan 8.210 nan 0.000 0.428 455 T N 2.952 117.511 114.554 0.009 0.000 3.504 455 T HA 0.358 4.706 4.350 -0.003 0.000 0.286 455 T C -1.615 173.093 174.700 0.013 0.000 1.530 455 T CA -1.662 60.476 62.100 0.063 0.000 1.652 455 T CB 0.363 69.347 68.868 0.194 0.000 0.895 455 T HN 0.172 nan 8.240 nan 0.000 0.674 456 P HA -0.165 nan 4.420 nan 0.000 0.216 456 P C 1.168 178.546 177.300 0.130 0.000 1.157 456 P CA 1.426 64.463 63.100 -0.105 0.000 0.880 456 P CB 0.277 31.819 31.700 -0.264 0.000 0.791 457 N N -0.171 118.558 118.700 0.049 0.000 2.135 457 N HA -0.092 4.646 4.740 -0.003 0.000 0.186 457 N C 1.792 177.309 175.510 0.012 0.000 1.027 457 N CA 0.989 54.061 53.050 0.037 0.000 0.849 457 N CB -0.493 37.984 38.487 -0.017 0.000 1.002 457 N HN 0.129 nan 8.380 nan 0.000 0.425 458 K N 1.234 121.616 120.400 -0.030 0.000 2.001 458 K HA -0.043 4.276 4.320 -0.003 0.000 0.214 458 K C 1.953 178.525 176.600 -0.046 0.000 1.050 458 K CA 1.033 57.250 56.287 -0.117 0.000 0.934 458 K CB -0.504 31.915 32.500 -0.135 0.000 0.718 458 K HN 0.195 nan 8.250 nan 0.000 0.443 459 M N 1.096 120.748 119.600 0.086 0.000 2.346 459 M HA -0.119 4.359 4.480 -0.003 0.000 0.263 459 M C 1.818 178.232 176.300 0.189 0.000 1.064 459 M CA 1.316 56.714 55.300 0.164 0.000 1.083 459 M CB -0.735 32.068 32.600 0.338 0.000 1.399 459 M HN 0.121 nan 8.290 nan 0.000 0.435 460 K N 0.127 120.648 120.400 0.202 0.000 2.097 460 K HA -0.135 4.183 4.320 -0.003 0.000 0.205 460 K C 1.895 178.499 176.600 0.007 0.000 1.050 460 K CA 1.083 57.459 56.287 0.147 0.000 0.938 460 K CB 0.032 32.621 32.500 0.148 0.000 0.718 460 K HN 0.459 nan 8.250 nan 0.000 0.442 461 E N 0.267 120.448 120.200 -0.031 0.000 2.072 461 E HA -0.123 4.225 4.350 -0.003 0.000 0.190 461 E C 1.988 178.523 176.600 -0.107 0.000 0.982 461 E CA 0.875 57.227 56.400 -0.079 0.000 0.803 461 E CB -0.020 29.608 29.700 -0.120 0.000 0.755 461 E HN 0.284 nan 8.360 nan 0.000 0.453 462 A N 1.187 123.914 122.820 -0.155 0.000 1.969 462 A HA -0.136 4.182 4.320 -0.003 0.000 0.218 462 A C 2.134 179.676 177.584 -0.069 0.000 1.169 462 A CA 0.775 52.686 52.037 -0.210 0.000 0.635 462 A CB -0.408 18.335 19.000 -0.428 0.000 0.810 462 A HN 0.200 nan 8.150 nan 0.000 0.445 463 L N -0.338 120.823 121.223 -0.104 0.000 2.131 463 L HA -0.170 4.168 4.340 -0.003 0.000 0.210 463 L C 2.445 179.279 176.870 -0.061 0.000 1.092 463 L CA 2.383 57.125 54.840 -0.164 0.000 0.759 463 L CB -0.420 41.356 42.059 -0.472 0.000 0.903 463 L HN 0.604 nan 8.230 nan 0.000 0.435 464 Q N -1.256 118.512 119.800 -0.053 0.000 2.187 464 Q HA -0.208 4.131 4.340 -0.003 0.000 0.199 464 Q C 2.294 178.304 176.000 0.015 0.000 0.957 464 Q CA 1.459 57.251 55.803 -0.018 0.000 0.857 464 Q CB -0.087 28.636 28.738 -0.025 0.000 0.929 464 Q HN 0.595 nan 8.270 nan 0.000 0.453 465 M N 0.073 119.680 119.600 0.012 0.000 2.159 465 M HA -0.139 4.339 4.480 -0.003 0.000 0.263 465 M C 1.357 177.709 176.300 0.087 0.000 1.063 465 M CA 1.385 56.714 55.300 0.047 0.000 1.110 465 M CB 0.148 32.768 32.600 0.033 0.000 1.374 465 M HN 0.255 nan 8.290 nan 0.000 0.411 466 L N -0.044 121.242 121.223 0.106 0.000 2.552 466 L HA 0.160 4.498 4.340 -0.003 0.000 0.227 466 L C 1.063 178.010 176.870 0.127 0.000 1.146 466 L CA 0.316 55.233 54.840 0.128 0.000 0.858 466 L CB -0.935 41.247 42.059 0.206 0.000 0.969 466 L HN 0.652 nan 8.230 nan 0.000 0.451 467 G N 0.952 109.807 108.800 0.092 0.000 2.324 467 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.292 467 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.292 467 G C -0.167 174.778 174.900 0.075 0.000 1.079 467 G CA -0.132 45.012 45.100 0.073 0.000 1.026 467 G HN 0.314 nan 8.290 nan 0.000 0.506 468 E N -0.491 119.755 120.200 0.076 0.000 2.222 468 E HA 0.379 4.727 4.350 -0.003 0.000 0.267 468 E C 0.753 177.357 176.600 0.007 0.000 0.884 468 E CA -1.029 55.419 56.400 0.080 0.000 0.764 468 E CB 1.456 31.296 29.700 0.233 0.000 1.169 468 E HN 0.055 nan 8.360 nan 0.000 0.413 469 K N 1.108 121.512 120.400 0.007 0.000 2.044 469 K HA -0.033 4.285 4.320 -0.003 0.000 0.204 469 K C 0.497 177.070 176.600 -0.045 0.000 1.049 469 K CA 1.229 57.508 56.287 -0.014 0.000 0.945 469 K CB 0.268 32.771 32.500 0.006 0.000 0.724 469 K HN 0.635 nan 8.250 nan 0.000 0.440 470 E N -1.115 119.067 120.200 -0.029 0.000 2.416 470 E HA 0.394 4.742 4.350 -0.003 0.000 0.273 470 E C -0.743 175.816 176.600 -0.067 0.000 0.935 470 E CA -0.846 55.533 56.400 -0.036 0.000 0.784 470 E CB 0.865 30.595 29.700 0.050 0.000 1.301 470 E HN -0.243 nan 8.360 nan 0.000 0.454 471 F N 0.369 120.271 119.950 -0.080 0.000 2.390 471 F HA 0.338 4.863 4.527 -0.003 0.000 0.307 471 F C 0.485 176.352 175.800 0.111 0.000 1.227 471 F CA -0.470 57.450 58.000 -0.133 0.000 1.179 471 F CB 0.447 39.206 39.000 -0.400 0.000 1.280 471 F HN 0.202 nan 8.300 nan 0.000 0.548 472 L N 0.416 121.974 121.223 0.559 0.000 2.332 472 L HA 0.395 4.733 4.340 -0.003 0.000 0.269 472 L C 0.746 177.740 176.870 0.207 0.000 1.016 472 L CA -0.823 54.210 54.840 0.321 0.000 0.809 472 L CB 1.514 43.720 42.059 0.245 0.000 1.280 472 L HN 0.578 nan 8.230 nan 0.000 0.447 473 K N 0.032 120.502 120.400 0.117 0.000 2.356 473 K HA 0.042 4.360 4.320 -0.003 0.000 0.195 473 K C -0.118 176.503 176.600 0.036 0.000 1.037 473 K CA 0.305 56.635 56.287 0.072 0.000 1.014 473 K CB 0.425 32.963 32.500 0.064 0.000 0.815 473 K HN 0.489 nan 8.250 nan 0.000 0.507 474 E N 0.809 121.022 120.200 0.022 0.000 2.272 474 E HA 0.257 4.606 4.350 -0.003 0.000 0.269 474 E C -1.522 175.042 176.600 -0.060 0.000 0.877 474 E CA -0.780 55.612 56.400 -0.013 0.000 0.755 474 E CB 1.126 30.827 29.700 0.001 0.000 1.192 474 E HN -0.159 nan 8.360 nan 0.000 0.422 475 L N 3.993 125.157 121.223 -0.099 0.000 2.261 475 L HA 0.451 4.789 4.340 -0.003 0.000 0.289 475 L C -0.004 176.787 176.870 -0.131 0.000 1.059 475 L CA 0.160 54.892 54.840 -0.181 0.000 0.816 475 L CB 0.666 42.605 42.059 -0.200 0.000 1.191 475 L HN 0.518 nan 8.230 nan 0.000 0.431 476 K N 3.899 124.236 120.400 -0.105 0.000 2.328 476 K HA 0.479 4.797 4.320 -0.003 0.000 0.246 476 K C -1.756 174.806 176.600 -0.063 0.000 0.955 476 K CA -1.591 54.660 56.287 -0.061 0.000 0.817 476 K CB 2.128 34.627 32.500 -0.000 0.000 1.208 476 K HN 0.112 nan 8.250 nan 0.000 0.432 477 P HA -0.090 nan 4.420 nan 0.000 0.216 477 P C -0.138 177.036 177.300 -0.209 0.000 1.153 477 P CA 1.196 64.179 63.100 -0.196 0.000 0.844 477 P CB 0.221 31.770 31.700 -0.251 0.000 0.787 478 Y N -0.994 119.319 120.300 0.022 0.000 2.699 478 Y HA 0.193 4.742 4.550 -0.003 0.000 0.282 478 Y C 0.495 176.431 175.900 0.059 0.000 1.058 478 Y CA -0.716 57.409 58.100 0.042 0.000 1.194 478 Y CB -0.089 38.387 38.460 0.025 0.000 1.193 478 Y HN -0.152 nan 8.280 nan 0.000 0.562 479 S N 1.720 117.514 115.700 0.155 0.000 2.537 479 S HA 0.211 4.679 4.470 -0.003 0.000 0.286 479 S C -0.425 174.158 174.600 -0.028 0.000 1.299 479 S CA -0.569 57.688 58.200 0.095 0.000 1.067 479 S CB 0.430 63.719 63.200 0.149 0.000 0.864 479 S HN 0.310 nan 8.310 nan 0.000 0.494 480 K N 1.791 122.137 120.400 -0.090 0.000 5.562 480 K HA -0.122 4.196 4.320 -0.003 0.000 0.886 480 K C -0.843 175.680 176.600 -0.127 0.000 2.047 480 K CA 0.683 56.800 56.287 -0.283 0.000 1.538 480 K CB -1.915 30.126 32.500 -0.766 0.000 2.666 480 K HN 1.060 nan 8.250 nan 0.000 0.211 481 N N 0.628 119.297 118.700 -0.052 0.000 2.410 481 N HA 0.114 4.852 4.740 -0.003 0.000 0.231 481 N C -0.087 175.324 175.510 -0.165 0.000 1.172 481 N CA 0.166 53.254 53.050 0.062 0.000 0.849 481 N CB 1.058 39.546 38.487 0.001 0.000 1.116 481 N HN 0.647 nan 8.380 nan 0.000 0.485 482 T N -1.439 112.972 114.554 -0.239 0.000 3.121 482 T HA 0.279 4.627 4.350 -0.003 0.000 0.377 482 T C -2.399 172.052 174.700 -0.416 0.000 1.820 482 T CA -0.742 61.195 62.100 -0.272 0.000 1.098 482 T CB -0.139 68.597 68.868 -0.219 0.000 1.681 482 T HN 0.084 nan 8.240 nan 0.000 0.492 483 Y N 1.672 121.955 120.300 -0.028 0.000 2.492 483 Y HA 0.708 5.256 4.550 -0.003 0.000 0.346 483 Y C 0.132 176.002 175.900 -0.050 0.000 0.997 483 Y CA -0.917 57.157 58.100 -0.044 0.000 1.025 483 Y CB 2.305 40.751 38.460 -0.023 0.000 1.263 483 Y HN 0.682 nan 8.280 nan 0.000 0.454 484 K N 4.730 125.189 120.400 0.098 0.000 2.753 484 K HA 0.424 4.742 4.320 -0.003 0.000 0.185 484 K C -1.147 175.479 176.600 0.043 0.000 1.071 484 K CA -0.325 55.986 56.287 0.040 0.000 0.999 484 K CB 0.082 32.592 32.500 0.017 0.000 1.244 484 K HN 0.714 nan 8.250 nan 0.000 0.594 485 L N -0.683 120.545 121.223 0.009 0.000 2.474 485 L HA 0.702 5.040 4.340 -0.003 0.000 0.259 485 L C 0.421 177.334 176.870 0.073 0.000 1.232 485 L CA -0.452 54.395 54.840 0.013 0.000 0.821 485 L CB 0.357 42.390 42.059 -0.043 0.000 1.108 485 L HN 0.435 nan 8.230 nan 0.000 0.495 486 G N -0.700 108.202 108.800 0.170 0.000 3.176 486 G HA2 0.371 4.329 3.960 -0.003 0.000 0.272 486 G HA3 0.371 4.329 3.960 -0.003 0.000 0.272 486 G C -1.048 174.018 174.900 0.276 0.000 1.349 486 G CA -0.610 44.650 45.100 0.266 0.000 0.953 486 G HN 0.841 nan 8.290 nan 0.000 0.559 487 E N 0.649 120.916 120.200 0.112 0.000 3.495 487 E HA -0.176 4.173 4.350 -0.003 0.000 0.272 487 E C 0.247 176.882 176.600 0.059 0.000 0.845 487 E CA 0.552 56.969 56.400 0.029 0.000 0.974 487 E CB 0.072 29.768 29.700 -0.007 0.000 0.919 487 E HN 0.664 nan 8.360 nan 0.000 0.556 488 R N 2.815 123.348 120.500 0.054 0.000 2.541 488 R HA 0.641 4.979 4.340 -0.003 0.000 0.263 488 R C 0.277 176.586 176.300 0.015 0.000 1.112 488 R CA -0.850 55.286 56.100 0.059 0.000 1.170 488 R CB 0.863 31.209 30.300 0.077 0.000 1.167 488 R HN 0.752 nan 8.270 nan 0.000 0.582 489 K N -0.552 119.852 120.400 0.008 0.000 2.642 489 K HA 0.248 4.566 4.320 -0.003 0.000 0.290 489 K C -1.137 175.452 176.600 -0.019 0.000 1.006 489 K CA -0.985 55.291 56.287 -0.018 0.000 0.869 489 K CB 0.897 33.372 32.500 -0.042 0.000 1.499 489 K HN 0.288 nan 8.250 nan 0.000 0.403 490 I N 3.597 124.153 120.570 -0.024 0.000 2.311 490 I HA 0.049 4.217 4.170 -0.003 0.000 0.297 490 I C 1.591 177.667 176.117 -0.069 0.000 1.131 490 I CA -0.251 61.042 61.300 -0.011 0.000 1.289 490 I CB -0.585 37.415 38.000 -0.000 0.000 1.446 490 I HN 0.710 nan 8.210 nan 0.000 0.524 491 L N 5.405 126.576 121.223 -0.088 0.000 1.989 491 L HA -0.127 4.211 4.340 -0.003 0.000 0.211 491 L C 0.498 177.059 176.870 -0.514 0.000 1.071 491 L CA 1.842 56.495 54.840 -0.311 0.000 0.749 491 L CB -0.220 41.670 42.059 -0.281 0.000 0.890 491 L HN 0.353 nan 8.230 nan 0.000 0.431 492 F N -0.153 119.772 119.950 -0.043 0.000 2.310 492 F HA 0.347 4.872 4.527 -0.003 0.000 0.365 492 F C -2.053 173.738 175.800 -0.016 0.000 1.080 492 F CA -2.654 55.327 58.000 -0.031 0.000 1.187 492 F CB -0.091 38.884 39.000 -0.042 0.000 1.465 492 F HN -0.219 nan 8.300 nan 0.000 0.496 493 P HA -0.093 nan 4.420 nan 0.000 0.261 493 P C -0.051 177.298 177.300 0.081 0.000 1.173 493 P CA -0.008 63.122 63.100 0.051 0.000 0.760 493 P CB 0.578 32.286 31.700 0.013 0.000 0.783 494 K N 4.470 124.908 120.400 0.065 0.000 2.146 494 K HA -0.013 4.305 4.320 -0.003 0.000 0.220 494 K C 0.690 177.319 176.600 0.049 0.000 1.227 494 K CA -0.156 56.167 56.287 0.059 0.000 1.185 494 K CB -0.247 32.278 32.500 0.041 0.000 1.333 494 K HN 0.398 nan 8.250 nan 0.000 0.242 495 R N 0.714 121.252 120.500 0.064 0.000 2.560 495 R HA 0.162 4.501 4.340 -0.003 0.000 0.270 495 R C -0.557 175.780 176.300 0.061 0.000 1.074 495 R CA -0.372 55.761 56.100 0.055 0.000 1.140 495 R CB 0.638 30.976 30.300 0.062 0.000 1.073 495 R HN 0.267 nan 8.270 nan 0.000 0.527 496 E N 0.739 120.967 120.200 0.046 0.000 4.230 496 E HA 0.172 4.521 4.350 -0.003 0.000 0.216 496 E C -0.121 176.502 176.600 0.039 0.000 1.132 496 E CA -0.435 55.995 56.400 0.049 0.000 1.404 496 E CB 1.388 31.105 29.700 0.028 0.000 1.183 496 E HN 0.850 nan 8.360 nan 0.000 0.431 497 G N 0.000 108.821 108.800 0.036 0.000 5.446 497 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 497 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 497 G CA 0.000 45.062 45.100 -0.064 0.000 0.502 497 G HN 0.000 nan 8.290 nan 0.000 0.925