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 1kyo_1_M DATA FIRST_RESID 17 DATA SEQUENCE LTVSARDAPT KISTLAVKVH GGSRYATKDG VAHLLNRFNF QNTNTRSALK DATA SEQUENCE LVRESELLGG TFKSTLDREY ITLKATFLKD DLPYYVNALA DVLYKTAFKP DATA SEQUENCE HELTESVLPA ARYDYAVAEQ CPVKSAEDQL YAITFRKGLG NPLLYDGVER DATA SEQUENCE VSLQDIKDFA DKVYTKENLE VSGENVVEAD LKRFVDESLL STLPAGKSLV DATA SEQUENCE SKSEPKFFLG EENRVRFIGD SVAAIGIPVN KASLAQYEVL ANYLTSALSE DATA SEQUENCE LSGLISSAKL DKFTDGGLFT LFVRDQDSAV VSSNIKKIVA DLKKGKDLSP DATA SEQUENCE AINYTKLKNA VQNESVSSPI ELNFDAVKDF KLGKFNYVAV GDVSNLPYLD DATA SEQUENCE EL 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 17 L HA 0.000 nan 4.340 nan 0.000 0.249 17 L C 0.000 176.895 176.870 0.041 0.000 1.165 17 L CA 0.000 54.859 54.840 0.032 0.000 0.813 17 L CB 0.000 42.069 42.059 0.017 0.000 0.961 18 T N 2.163 116.752 114.554 0.059 0.000 2.913 18 T HA 0.710 5.060 4.350 -0.001 0.000 0.287 18 T C -0.043 174.697 174.700 0.067 0.000 1.008 18 T CA -0.421 61.717 62.100 0.063 0.000 1.067 18 T CB 2.355 71.271 68.868 0.080 0.000 0.996 18 T HN 0.327 nan 8.240 nan 0.000 0.513 19 V N 1.781 121.732 119.914 0.062 0.000 2.655 19 V HA 0.455 4.575 4.120 -0.001 0.000 0.301 19 V C -0.322 175.809 176.094 0.063 0.000 1.082 19 V CA -0.806 61.534 62.300 0.066 0.000 0.899 19 V CB 1.980 33.840 31.823 0.062 0.000 1.014 19 V HN 0.994 nan 8.190 nan 0.000 0.429 20 S N 1.923 117.663 115.700 0.067 0.000 2.776 20 S HA 1.039 5.509 4.470 -0.001 0.000 0.306 20 S C 0.024 174.660 174.600 0.059 0.000 1.114 20 S CA 0.053 58.288 58.200 0.058 0.000 0.973 20 S CB 2.192 65.425 63.200 0.054 0.000 1.250 20 S HN 1.403 nan 8.310 nan 0.000 0.549 21 A N -0.372 122.477 122.820 0.048 0.000 2.457 21 A HA 0.846 5.165 4.320 -0.001 0.000 0.305 21 A C -0.312 177.289 177.584 0.028 0.000 1.110 21 A CA -0.332 51.732 52.037 0.045 0.000 0.616 21 A CB 0.766 19.797 19.000 0.052 0.000 1.371 21 A HN 0.656 nan 8.150 nan 0.000 0.525 22 R N -0.540 119.973 120.500 0.022 0.000 4.548 22 R HA 0.243 4.582 4.340 -0.001 0.000 0.077 22 R C -0.976 175.328 176.300 0.007 0.000 0.695 22 R CA 1.197 57.302 56.100 0.009 0.000 1.570 22 R CB -0.001 30.297 30.300 -0.003 0.000 1.517 22 R HN 1.245 nan 8.270 nan 0.000 0.411 23 D N -0.423 119.979 120.400 0.003 0.000 10.830 23 D HA -0.086 4.554 4.640 -0.001 0.000 0.342 23 D C -1.447 174.848 176.300 -0.008 0.000 3.116 23 D CA 1.282 55.283 54.000 0.002 0.000 2.688 23 D CB -0.254 40.556 40.800 0.016 0.000 1.183 23 D HN 0.454 nan 8.370 nan 0.000 0.934 24 A N 3.486 126.297 122.820 -0.015 0.000 2.586 24 A HA 0.663 4.983 4.320 -0.001 0.000 0.290 24 A C -2.499 175.073 177.584 -0.019 0.000 1.086 24 A CA -0.369 51.657 52.037 -0.018 0.000 0.665 24 A CB 1.685 20.668 19.000 -0.029 0.000 1.279 24 A HN 0.366 nan 8.150 nan 0.000 0.423 25 P HA 0.081 nan 4.420 nan 0.000 0.255 25 P C 0.636 177.921 177.300 -0.026 0.000 1.357 25 P CA 0.723 63.813 63.100 -0.017 0.000 0.839 25 P CB -0.679 31.014 31.700 -0.012 0.000 1.356 26 T N -2.175 112.356 114.554 -0.039 0.000 2.766 26 T HA 0.164 4.514 4.350 -0.001 0.000 0.295 26 T C 1.209 175.873 174.700 -0.061 0.000 1.024 26 T CA -0.296 61.772 62.100 -0.054 0.000 1.018 26 T CB 1.231 70.055 68.868 -0.072 0.000 1.002 26 T HN -0.147 nan 8.240 nan 0.000 0.532 27 K N -0.044 120.314 120.400 -0.070 0.000 2.284 27 K HA 0.260 4.580 4.320 -0.001 0.000 0.198 27 K C 0.411 176.941 176.600 -0.116 0.000 1.048 27 K CA 0.267 56.510 56.287 -0.073 0.000 0.987 27 K CB 0.226 32.691 32.500 -0.059 0.000 0.800 27 K HN 0.539 nan 8.250 nan 0.000 0.486 28 I N 1.560 122.039 120.570 -0.151 0.000 2.377 28 I HA 0.188 4.358 4.170 -0.001 0.000 0.293 28 I C 0.138 176.058 176.117 -0.327 0.000 0.987 28 I CA -0.252 60.905 61.300 -0.237 0.000 1.185 28 I CB 1.605 39.485 38.000 -0.200 0.000 1.341 28 I HN -0.156 nan 8.210 nan 0.000 0.455 29 S N 3.507 118.859 115.700 -0.580 0.000 2.704 29 S HA 0.674 5.143 4.470 -0.001 0.000 0.305 29 S C -0.033 173.997 174.600 -0.950 0.000 1.107 29 S CA -0.526 57.231 58.200 -0.739 0.000 0.993 29 S CB 2.217 64.885 63.200 -0.886 0.000 1.110 29 S HN 0.674 nan 8.310 nan 0.000 0.534 30 T N 2.279 116.462 114.554 -0.618 0.000 3.509 30 T HA 0.258 4.608 4.350 -0.001 0.000 0.330 30 T C -1.057 173.625 174.700 -0.029 0.000 0.851 30 T CA -0.539 61.357 62.100 -0.340 0.000 1.057 30 T CB -0.001 68.739 68.868 -0.214 0.000 1.023 30 T HN 0.366 nan 8.240 nan 0.000 0.470 31 L N 3.851 125.223 121.223 0.249 0.000 2.461 31 L HA 0.780 5.119 4.340 -0.001 0.000 0.272 31 L C 0.363 177.354 176.870 0.202 0.000 1.197 31 L CA 0.440 55.458 54.840 0.297 0.000 0.836 31 L CB 0.747 43.062 42.059 0.428 0.000 1.105 31 L HN 0.916 nan 8.230 nan 0.000 0.477 32 A N 3.961 126.880 122.820 0.165 0.000 2.520 32 A HA 0.661 4.981 4.320 -0.001 0.000 0.298 32 A C -1.264 176.403 177.584 0.138 0.000 1.051 32 A CA -0.451 51.672 52.037 0.143 0.000 0.690 32 A CB 1.811 20.866 19.000 0.091 0.000 1.281 32 A HN 0.341 nan 8.150 nan 0.000 0.402 33 V N 3.140 123.140 119.914 0.144 0.000 2.383 33 V HA 0.209 4.329 4.120 -0.001 0.000 0.264 33 V C -0.173 176.008 176.094 0.145 0.000 1.001 33 V CA -0.516 61.860 62.300 0.127 0.000 0.828 33 V CB 0.839 32.720 31.823 0.097 0.000 1.069 33 V HN 0.818 nan 8.190 nan 0.000 0.451 34 K N 2.669 123.166 120.400 0.162 0.000 2.336 34 K HA 0.350 4.669 4.320 -0.001 0.000 0.290 34 K C -0.465 176.263 176.600 0.213 0.000 1.067 34 K CA -0.035 56.398 56.287 0.244 0.000 0.962 34 K CB 1.019 33.685 32.500 0.277 0.000 1.008 34 K HN 0.422 nan 8.250 nan 0.000 0.467 35 V N 4.409 124.447 119.914 0.207 0.000 2.357 35 V HA 0.051 4.171 4.120 -0.001 0.000 0.284 35 V C 0.358 176.497 176.094 0.075 0.000 1.018 35 V CA -0.953 61.444 62.300 0.160 0.000 0.841 35 V CB 0.912 32.898 31.823 0.272 0.000 0.991 35 V HN 0.713 nan 8.190 nan 0.000 0.437 36 H N 4.538 123.625 119.070 0.029 0.000 3.596 36 H HA 0.121 4.676 4.556 -0.000 0.000 0.231 36 H C 0.991 176.479 175.328 0.268 0.000 1.234 36 H CA 0.802 56.881 56.048 0.051 0.000 1.498 36 H CB 0.296 29.996 29.762 -0.103 0.000 1.668 36 H HN 0.893 nan 8.280 nan 0.000 0.555 37 G N 2.332 111.368 108.800 0.394 0.000 4.908 37 G HA2 0.157 4.117 3.960 -0.001 0.000 0.267 37 G HA3 0.157 4.117 3.960 -0.001 0.000 0.267 37 G C 0.844 175.979 174.900 0.393 0.000 0.958 37 G CA 0.039 45.410 45.100 0.451 0.000 0.743 37 G HN 0.650 nan 8.290 nan 0.000 0.410 38 G N 0.536 109.452 108.800 0.194 0.000 2.683 38 G HA2 0.341 4.301 3.960 -0.001 0.000 0.260 38 G HA3 0.341 4.301 3.960 -0.001 0.000 0.260 38 G C 1.546 176.436 174.900 -0.016 0.000 1.238 38 G CA 0.733 45.876 45.100 0.072 0.000 0.934 38 G HN 0.764 nan 8.290 nan 0.000 0.534 39 S N -0.684 114.986 115.700 -0.049 0.000 2.420 39 S HA -0.191 4.278 4.470 -0.001 0.000 0.237 39 S C 2.233 176.750 174.600 -0.139 0.000 1.023 39 S CA 1.404 59.557 58.200 -0.079 0.000 0.991 39 S CB -0.315 62.834 63.200 -0.084 0.000 0.792 39 S HN 0.538 nan 8.310 nan 0.000 0.488 40 R N 1.110 121.434 120.500 -0.293 0.000 2.133 40 R HA -0.136 4.203 4.340 -0.001 0.000 0.245 40 R C 0.504 176.622 176.300 -0.303 0.000 1.137 40 R CA 1.910 57.738 56.100 -0.452 0.000 0.947 40 R CB -0.808 28.958 30.300 -0.891 0.000 0.865 40 R HN 0.769 nan 8.270 nan 0.000 0.437 41 Y N -0.593 119.752 120.300 0.076 0.000 2.783 41 Y HA 0.555 5.104 4.550 -0.000 0.000 0.382 41 Y C 0.072 176.126 175.900 0.258 0.000 1.076 41 Y CA -0.676 57.499 58.100 0.125 0.000 1.530 41 Y CB 0.247 38.772 38.460 0.108 0.000 1.546 41 Y HN -0.041 nan 8.280 nan 0.000 0.537 42 A N 0.431 123.360 122.820 0.182 0.000 2.276 42 A HA 0.356 4.676 4.320 -0.001 0.000 0.316 42 A C 1.292 178.888 177.584 0.021 0.000 1.229 42 A CA -0.216 51.810 52.037 -0.018 0.000 0.851 42 A CB 0.972 19.856 19.000 -0.194 0.000 1.165 42 A HN 0.535 nan 8.150 nan 0.000 0.513 43 T N 1.656 116.240 114.554 0.051 0.000 2.821 43 T HA -0.001 4.349 4.350 -0.001 0.000 0.267 43 T C 0.824 175.521 174.700 -0.005 0.000 1.046 43 T CA 1.682 63.823 62.100 0.069 0.000 1.139 43 T CB -0.339 68.613 68.868 0.141 0.000 0.871 43 T HN 0.647 nan 8.240 nan 0.000 0.454 44 K N 0.729 121.087 120.400 -0.070 0.000 2.443 44 K HA 0.321 4.641 4.320 -0.001 0.000 0.251 44 K C -1.472 175.095 176.600 -0.055 0.000 0.972 44 K CA -0.907 55.352 56.287 -0.046 0.000 0.833 44 K CB 1.491 33.970 32.500 -0.034 0.000 1.317 44 K HN -0.097 nan 8.250 nan 0.000 0.441 45 D N 1.325 121.717 120.400 -0.013 0.000 2.426 45 D HA 0.107 4.747 4.640 -0.001 0.000 0.271 45 D C 0.888 177.232 176.300 0.072 0.000 1.376 45 D CA 1.264 55.264 54.000 0.001 0.000 1.149 45 D CB -0.153 40.638 40.800 -0.015 0.000 1.118 45 D HN 0.835 nan 8.370 nan 0.000 0.529 46 G N 0.457 109.280 108.800 0.039 0.000 2.192 46 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.193 46 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.193 46 G C 1.225 176.126 174.900 0.001 0.000 0.999 46 G CA 0.045 45.229 45.100 0.139 0.000 0.659 46 G HN 0.397 nan 8.290 nan 0.000 0.503 47 V N 0.786 120.585 119.914 -0.192 0.000 2.407 47 V HA 0.012 4.132 4.120 -0.001 0.000 0.248 47 V C 3.213 179.069 176.094 -0.396 0.000 1.055 47 V CA 2.895 64.976 62.300 -0.365 0.000 1.049 47 V CB -1.211 30.232 31.823 -0.633 0.000 0.662 47 V HN 0.951 nan 8.190 nan 0.000 0.455 48 A N -0.073 122.493 122.820 -0.423 0.000 1.883 48 A HA -0.310 4.010 4.320 -0.001 0.000 0.217 48 A C 2.224 179.867 177.584 0.100 0.000 1.186 48 A CA 2.362 54.316 52.037 -0.137 0.000 0.624 48 A CB -0.860 18.117 19.000 -0.038 0.000 0.822 48 A HN 0.676 nan 8.150 nan 0.000 0.444 49 H N 0.390 119.449 119.070 -0.017 0.000 2.253 49 H HA -0.093 4.462 4.556 -0.001 0.000 0.296 49 H C 1.851 177.216 175.328 0.063 0.000 1.074 49 H CA 2.146 58.223 56.048 0.049 0.000 1.263 49 H CB -0.764 29.041 29.762 0.072 0.000 1.363 49 H HN 0.345 nan 8.280 nan 0.000 0.489 50 L N -0.363 120.820 121.223 -0.067 0.000 2.043 50 L HA -0.211 4.129 4.340 -0.001 0.000 0.212 50 L C 2.731 179.694 176.870 0.156 0.000 1.075 50 L CA 1.260 56.036 54.840 -0.107 0.000 0.752 50 L CB -0.590 41.356 42.059 -0.188 0.000 0.891 50 L HN 0.268 nan 8.230 nan 0.000 0.432 51 L N 0.030 121.372 121.223 0.198 0.000 2.056 51 L HA -0.216 4.124 4.340 -0.001 0.000 0.207 51 L C 2.166 179.243 176.870 0.344 0.000 1.078 51 L CA 1.790 56.827 54.840 0.328 0.000 0.749 51 L CB -0.948 41.294 42.059 0.305 0.000 0.901 51 L HN 0.293 nan 8.230 nan 0.000 0.433 52 N N -0.632 118.243 118.700 0.291 0.000 2.084 52 N HA -0.272 4.468 4.740 -0.001 0.000 0.190 52 N C 1.995 177.659 175.510 0.256 0.000 1.030 52 N CA 1.047 54.269 53.050 0.286 0.000 0.849 52 N CB 0.003 38.661 38.487 0.285 0.000 1.012 52 N HN 0.185 nan 8.380 nan 0.000 0.423 53 R N -0.134 120.493 120.500 0.212 0.000 2.237 53 R HA 0.030 4.370 4.340 -0.001 0.000 0.219 53 R C 1.635 177.983 176.300 0.080 0.000 1.080 53 R CA 0.797 56.973 56.100 0.126 0.000 0.995 53 R CB -0.454 29.850 30.300 0.007 0.000 0.875 53 R HN 0.310 nan 8.270 nan 0.000 0.462 54 F N -0.044 119.943 119.950 0.060 0.000 2.512 54 F HA 0.134 4.661 4.527 -0.000 0.000 0.296 54 F C 0.373 176.132 175.800 -0.069 0.000 1.110 54 F CA -0.036 57.966 58.000 0.004 0.000 1.446 54 F CB 0.164 39.209 39.000 0.075 0.000 1.092 54 F HN 0.024 nan 8.300 nan 0.000 0.554 55 N N 0.137 118.952 118.700 0.191 0.000 2.416 55 N HA 0.015 4.754 4.740 -0.001 0.000 0.246 55 N C -0.348 175.144 175.510 -0.030 0.000 1.260 55 N CA 0.380 53.392 53.050 -0.064 0.000 0.897 55 N CB 0.094 38.479 38.487 -0.171 0.000 1.110 55 N HN 0.119 nan 8.380 nan 0.000 0.439 56 F N -1.945 117.985 119.950 -0.032 0.000 2.953 56 F HA -0.285 4.242 4.527 -0.000 0.000 0.292 56 F C 0.919 176.676 175.800 -0.071 0.000 0.747 56 F CA 0.285 58.231 58.000 -0.090 0.000 1.222 56 F CB -1.164 37.805 39.000 -0.053 0.000 1.457 56 F HN 0.523 nan 8.300 nan 0.000 0.383 57 Q N 0.026 119.848 119.800 0.036 0.000 2.270 57 Q HA 0.315 4.655 4.340 -0.001 0.000 0.167 57 Q C 0.440 176.422 176.000 -0.031 0.000 1.023 57 Q CA -0.613 55.197 55.803 0.011 0.000 1.070 57 Q CB 0.241 28.984 28.738 0.009 0.000 1.504 57 Q HN 0.092 nan 8.270 nan 0.000 0.536 58 N N 1.187 119.868 118.700 -0.031 0.000 2.454 58 N HA 0.057 4.796 4.740 -0.001 0.000 0.254 58 N C -0.444 175.005 175.510 -0.102 0.000 1.228 58 N CA 0.366 53.389 53.050 -0.046 0.000 0.900 58 N CB 0.481 38.957 38.487 -0.018 0.000 1.089 58 N HN 0.479 nan 8.380 nan 0.000 0.449 59 T N -1.482 113.015 114.554 -0.095 0.000 2.907 59 T HA 0.345 4.695 4.350 -0.001 0.000 0.292 59 T C 0.885 175.535 174.700 -0.083 0.000 1.043 59 T CA -0.945 61.084 62.100 -0.118 0.000 1.003 59 T CB 1.035 69.824 68.868 -0.132 0.000 1.084 59 T HN 0.307 nan 8.240 nan 0.000 0.483 60 N N 1.192 119.841 118.700 -0.085 0.000 2.322 60 N HA -0.124 4.615 4.740 -0.001 0.000 0.189 60 N C 1.497 176.975 175.510 -0.054 0.000 1.012 60 N CA 1.984 54.995 53.050 -0.065 0.000 0.880 60 N CB -0.205 38.236 38.487 -0.078 0.000 0.967 60 N HN 0.919 nan 8.380 nan 0.000 0.439 61 T N -3.403 111.114 114.554 -0.062 0.000 3.040 61 T HA 0.341 4.690 4.350 -0.001 0.000 0.266 61 T C 0.588 175.258 174.700 -0.050 0.000 1.005 61 T CA -0.357 61.711 62.100 -0.052 0.000 0.906 61 T CB 0.739 69.573 68.868 -0.057 0.000 1.082 61 T HN -0.083 nan 8.240 nan 0.000 0.531 62 R N 1.915 122.382 120.500 -0.055 0.000 2.548 62 R HA 0.520 4.860 4.340 -0.001 0.000 0.280 62 R C -0.925 175.355 176.300 -0.033 0.000 1.061 62 R CA -0.177 55.896 56.100 -0.045 0.000 0.915 62 R CB 1.799 32.056 30.300 -0.071 0.000 1.210 62 R HN 0.283 nan 8.270 nan 0.000 0.442 63 S N 2.231 117.924 115.700 -0.011 0.000 2.584 63 S HA 0.403 4.872 4.470 -0.001 0.000 0.273 63 S C 1.269 175.873 174.600 0.007 0.000 1.311 63 S CA -0.200 58.001 58.200 0.002 0.000 1.034 63 S CB 1.803 65.012 63.200 0.014 0.000 0.939 63 S HN 0.750 nan 8.310 nan 0.000 0.513 64 A N 1.822 124.650 122.820 0.013 0.000 1.958 64 A HA -0.123 4.197 4.320 -0.001 0.000 0.221 64 A C 1.939 179.544 177.584 0.034 0.000 1.178 64 A CA 1.785 53.838 52.037 0.027 0.000 0.642 64 A CB -0.941 18.078 19.000 0.031 0.000 0.816 64 A HN 0.948 nan 8.150 nan 0.000 0.453 65 L N -0.316 120.925 121.223 0.030 0.000 2.005 65 L HA -0.104 4.235 4.340 -0.001 0.000 0.207 65 L C 2.338 179.229 176.870 0.036 0.000 1.072 65 L CA 2.740 57.598 54.840 0.030 0.000 0.744 65 L CB -0.564 41.509 42.059 0.023 0.000 0.895 65 L HN 0.425 nan 8.230 nan 0.000 0.433 66 K N -0.888 119.531 120.400 0.032 0.000 2.063 66 K HA -0.228 4.092 4.320 -0.001 0.000 0.208 66 K C 2.154 178.794 176.600 0.067 0.000 1.048 66 K CA 1.745 58.056 56.287 0.040 0.000 0.928 66 K CB -0.378 32.141 32.500 0.031 0.000 0.713 66 K HN 0.297 nan 8.250 nan 0.000 0.442 67 L N 0.783 122.043 121.223 0.062 0.000 1.990 67 L HA -0.214 4.125 4.340 -0.001 0.000 0.213 67 L C 1.992 178.961 176.870 0.166 0.000 1.072 67 L CA 1.690 56.587 54.840 0.095 0.000 0.755 67 L CB -0.581 41.478 42.059 0.000 0.000 0.889 67 L HN 0.051 nan 8.230 nan 0.000 0.432 68 V N -0.045 119.940 119.914 0.120 0.000 2.261 68 V HA -0.250 3.870 4.120 -0.001 0.000 0.246 68 V C 2.785 178.927 176.094 0.081 0.000 1.047 68 V CA 1.842 64.213 62.300 0.118 0.000 1.015 68 V CB -0.871 30.999 31.823 0.077 0.000 0.642 68 V HN 0.429 nan 8.190 nan 0.000 0.446 69 R N 0.388 120.921 120.500 0.056 0.000 2.091 69 R HA -0.161 4.179 4.340 -0.001 0.000 0.238 69 R C 2.122 178.435 176.300 0.023 0.000 1.136 69 R CA 1.548 57.667 56.100 0.033 0.000 0.959 69 R CB -0.803 29.512 30.300 0.025 0.000 0.856 69 R HN 0.648 nan 8.270 nan 0.000 0.437 70 E N 0.768 120.990 120.200 0.037 0.000 2.017 70 E HA -0.132 4.218 4.350 -0.001 0.000 0.193 70 E C 1.996 178.542 176.600 -0.090 0.000 0.997 70 E CA 1.744 58.138 56.400 -0.011 0.000 0.804 70 E CB -0.127 29.612 29.700 0.065 0.000 0.757 70 E HN 0.406 nan 8.360 nan 0.000 0.448 71 S N 1.061 116.752 115.700 -0.015 0.000 2.419 71 S HA -0.208 4.262 4.470 -0.001 0.000 0.235 71 S C 1.770 176.363 174.600 -0.012 0.000 1.019 71 S CA 1.161 59.341 58.200 -0.033 0.000 0.982 71 S CB -0.326 63.003 63.200 0.214 0.000 0.789 71 S HN 0.231 nan 8.310 nan 0.000 0.490 72 E N 0.707 120.910 120.200 0.006 0.000 2.072 72 E HA 0.000 4.350 4.350 -0.001 0.000 0.191 72 E C 1.922 178.510 176.600 -0.021 0.000 0.985 72 E CA 0.858 57.257 56.400 -0.002 0.000 0.801 72 E CB -0.163 29.541 29.700 0.006 0.000 0.750 72 E HN 0.362 nan 8.360 nan 0.000 0.452 73 L N 0.632 121.835 121.223 -0.035 0.000 2.141 73 L HA -0.099 4.241 4.340 -0.001 0.000 0.209 73 L C 2.237 179.072 176.870 -0.058 0.000 1.094 73 L CA 1.222 56.037 54.840 -0.042 0.000 0.763 73 L CB -0.670 41.363 42.059 -0.043 0.000 0.908 73 L HN 0.242 nan 8.230 nan 0.000 0.437 74 L N -0.503 120.663 121.223 -0.096 0.000 2.395 74 L HA 0.066 4.406 4.340 -0.001 0.000 0.218 74 L C 0.700 177.565 176.870 -0.008 0.000 1.130 74 L CA 0.529 55.309 54.840 -0.101 0.000 0.826 74 L CB -0.372 41.529 42.059 -0.265 0.000 0.941 74 L HN 0.487 nan 8.230 nan 0.000 0.451 75 G N 0.307 109.106 108.800 -0.001 0.000 2.940 75 G HA2 0.114 4.074 3.960 -0.001 0.000 0.273 75 G HA3 0.114 4.074 3.960 -0.001 0.000 0.273 75 G C -0.030 174.890 174.900 0.034 0.000 1.030 75 G CA -0.216 44.887 45.100 0.005 0.000 1.066 75 G HN 0.646 nan 8.290 nan 0.000 0.466 76 G N -0.205 108.599 108.800 0.007 0.000 2.376 76 G HA2 0.860 4.820 3.960 -0.001 0.000 0.302 76 G HA3 0.860 4.820 3.960 -0.001 0.000 0.302 76 G C -0.477 174.360 174.900 -0.106 0.000 1.586 76 G CA 0.608 45.681 45.100 -0.046 0.000 0.907 76 G HN 2.410 nan 8.290 nan 0.000 0.655 77 T N -1.467 112.944 114.554 -0.240 0.000 2.906 77 T HA 0.836 5.185 4.350 -0.001 0.000 0.295 77 T C -0.987 173.413 174.700 -0.501 0.000 1.075 77 T CA -0.852 61.082 62.100 -0.277 0.000 1.005 77 T CB 1.908 70.702 68.868 -0.124 0.000 1.136 77 T HN 0.559 nan 8.240 nan 0.000 0.498 78 F N 0.819 120.664 119.950 -0.175 0.000 2.492 78 F HA 0.835 5.362 4.527 -0.001 0.000 0.327 78 F C 0.308 175.879 175.800 -0.381 0.000 1.079 78 F CA -0.841 56.892 58.000 -0.446 0.000 0.967 78 F CB 2.269 40.557 39.000 -1.185 0.000 1.169 78 F HN 0.689 nan 8.300 nan 0.000 0.472 79 K N 0.615 120.994 120.400 -0.035 0.000 2.532 79 K HA 0.641 4.961 4.320 -0.001 0.000 0.265 79 K C -1.612 175.195 176.600 0.344 0.000 0.948 79 K CA -0.584 55.771 56.287 0.113 0.000 0.842 79 K CB 2.274 34.827 32.500 0.089 0.000 1.392 79 K HN 0.439 nan 8.250 nan 0.000 0.436 80 S N 1.539 117.440 115.700 0.336 0.000 2.779 80 S HA 0.542 5.011 4.470 -0.001 0.000 0.293 80 S C -1.410 173.336 174.600 0.244 0.000 1.150 80 S CA -0.480 57.936 58.200 0.361 0.000 1.057 80 S CB 0.744 64.195 63.200 0.418 0.000 1.021 80 S HN 0.585 nan 8.310 nan 0.000 0.485 81 T N 4.444 119.120 114.554 0.205 0.000 2.895 81 T HA 0.582 4.932 4.350 -0.001 0.000 0.283 81 T C -0.873 173.925 174.700 0.162 0.000 1.014 81 T CA -0.506 61.686 62.100 0.153 0.000 1.037 81 T CB 1.323 70.256 68.868 0.107 0.000 1.006 81 T HN 0.494 nan 8.240 nan 0.000 0.468 82 L N 2.603 123.905 121.223 0.133 0.000 2.325 82 L HA 0.598 4.938 4.340 -0.001 0.000 0.281 82 L C -0.693 176.237 176.870 0.099 0.000 1.004 82 L CA -0.203 54.718 54.840 0.134 0.000 0.823 82 L CB 1.185 43.314 42.059 0.116 0.000 1.236 82 L HN 0.574 nan 8.230 nan 0.000 0.415 83 D N 1.469 121.955 120.400 0.142 0.000 2.529 83 D HA 0.375 5.015 4.640 -0.001 0.000 0.273 83 D C 0.585 176.959 176.300 0.123 0.000 1.197 83 D CA -0.399 53.690 54.000 0.147 0.000 1.070 83 D CB 1.226 42.180 40.800 0.255 0.000 1.134 83 D HN 0.488 nan 8.370 nan 0.000 0.590 84 R N 0.134 120.726 120.500 0.154 0.000 2.200 84 R HA 0.089 4.428 4.340 -0.001 0.000 0.208 84 R C 1.209 177.522 176.300 0.022 0.000 1.033 84 R CA 1.228 57.365 56.100 0.063 0.000 1.000 84 R CB 0.255 30.622 30.300 0.112 0.000 0.906 84 R HN 0.389 nan 8.270 nan 0.000 0.462 85 E N -1.826 118.493 120.200 0.199 0.000 2.434 85 E HA 0.095 4.444 4.350 -0.001 0.000 0.207 85 E C -0.501 176.126 176.600 0.044 0.000 0.929 85 E CA 0.084 56.520 56.400 0.060 0.000 1.001 85 E CB 0.506 30.381 29.700 0.293 0.000 1.016 85 E HN 0.163 nan 8.360 nan 0.000 0.502 86 Y N -0.600 119.753 120.300 0.088 0.000 2.730 86 Y HA 0.526 5.076 4.550 -0.001 0.000 0.325 86 Y C 0.203 176.178 175.900 0.125 0.000 1.132 86 Y CA -1.003 57.146 58.100 0.082 0.000 1.206 86 Y CB 1.618 40.093 38.460 0.026 0.000 1.390 86 Y HN -0.232 nan 8.280 nan 0.000 0.555 87 I N 1.251 122.028 120.570 0.345 0.000 2.649 87 I HA 0.121 4.291 4.170 -0.001 0.000 0.275 87 I C -1.338 174.945 176.117 0.276 0.000 1.180 87 I CA -0.233 61.243 61.300 0.293 0.000 1.049 87 I CB 1.251 39.446 38.000 0.325 0.000 1.234 87 I HN 0.580 nan 8.210 nan 0.000 0.506 88 T N 6.033 120.727 114.554 0.233 0.000 2.761 88 T HA 0.363 4.713 4.350 -0.001 0.000 0.296 88 T C 0.151 174.980 174.700 0.214 0.000 0.934 88 T CA -0.262 61.952 62.100 0.190 0.000 1.091 88 T CB 1.092 70.028 68.868 0.114 0.000 0.896 88 T HN 0.168 nan 8.240 nan 0.000 0.515 89 L N 3.743 125.097 121.223 0.219 0.000 2.701 89 L HA 0.343 4.682 4.340 -0.001 0.000 0.237 89 L C 0.722 177.797 176.870 0.341 0.000 1.204 89 L CA -0.105 54.917 54.840 0.303 0.000 1.109 89 L CB -0.158 42.024 42.059 0.204 0.000 1.409 89 L HN 0.502 nan 8.230 nan 0.000 0.428 90 K N 1.403 121.968 120.400 0.274 0.000 2.319 90 K HA 0.617 4.937 4.320 -0.001 0.000 0.265 90 K C -0.212 176.532 176.600 0.240 0.000 1.000 90 K CA -0.053 56.361 56.287 0.212 0.000 0.943 90 K CB 0.711 33.283 32.500 0.120 0.000 0.950 90 K HN 0.400 nan 8.250 nan 0.000 0.485 91 A N 2.773 125.706 122.820 0.188 0.000 2.530 91 A HA 0.279 4.598 4.320 -0.001 0.000 0.279 91 A C -1.025 176.593 177.584 0.056 0.000 1.109 91 A CA -0.740 51.356 52.037 0.100 0.000 0.763 91 A CB 1.231 20.387 19.000 0.259 0.000 1.257 91 A HN 0.637 nan 8.150 nan 0.000 0.424 92 T N 3.258 117.744 114.554 -0.113 0.000 2.780 92 T HA 0.652 5.002 4.350 -0.001 0.000 0.294 92 T C -0.305 174.229 174.700 -0.276 0.000 0.949 92 T CA 0.378 62.345 62.100 -0.222 0.000 1.074 92 T CB -0.299 68.456 68.868 -0.189 0.000 0.910 92 T HN 0.809 nan 8.240 nan 0.000 0.501 93 F N 0.394 120.040 119.950 -0.506 0.000 2.923 93 F HA 0.681 5.207 4.527 -0.001 0.000 0.323 93 F C -1.664 173.922 175.800 -0.357 0.000 1.189 93 F CA -1.833 55.796 58.000 -0.618 0.000 0.930 93 F CB 0.857 38.982 39.000 -1.459 0.000 1.414 93 F HN 0.203 nan 8.300 nan 0.000 0.496 94 L N 2.415 123.629 121.223 -0.015 0.000 2.319 94 L HA 0.313 4.653 4.340 -0.001 0.000 0.280 94 L C 1.600 178.531 176.870 0.102 0.000 1.099 94 L CA -0.462 54.368 54.840 -0.016 0.000 0.828 94 L CB 1.312 43.392 42.059 0.033 0.000 1.150 94 L HN 0.850 nan 8.230 nan 0.000 0.442 95 K N 1.986 122.356 120.400 -0.050 0.000 2.097 95 K HA -0.283 4.037 4.320 -0.001 0.000 0.214 95 K C 1.151 177.858 176.600 0.179 0.000 1.052 95 K CA 2.396 58.692 56.287 0.015 0.000 0.932 95 K CB 0.126 32.608 32.500 -0.030 0.000 0.716 95 K HN 0.703 nan 8.250 nan 0.000 0.455 96 D N 0.903 121.383 120.400 0.134 0.000 2.117 96 D HA -0.128 4.512 4.640 -0.001 0.000 0.197 96 D C 0.763 177.145 176.300 0.136 0.000 0.987 96 D CA 1.063 55.138 54.000 0.125 0.000 0.829 96 D CB -0.319 40.531 40.800 0.082 0.000 0.961 96 D HN 0.367 nan 8.370 nan 0.000 0.460 97 D N 1.028 121.533 120.400 0.175 0.000 2.396 97 D HA -0.040 4.600 4.640 -0.001 0.000 0.255 97 D C 1.990 178.346 176.300 0.094 0.000 1.224 97 D CA -0.068 54.020 54.000 0.147 0.000 0.894 97 D CB -0.090 40.846 40.800 0.228 0.000 0.939 97 D HN 0.254 nan 8.370 nan 0.000 0.506 98 L N 1.455 122.712 121.223 0.057 0.000 2.021 98 L HA -0.167 4.173 4.340 -0.001 0.000 0.215 98 L C -0.368 176.326 176.870 -0.292 0.000 1.074 98 L CA 1.733 56.530 54.840 -0.073 0.000 0.760 98 L CB -1.008 41.106 42.059 0.093 0.000 0.889 98 L HN 0.097 nan 8.230 nan 0.000 0.433 99 P HA -0.273 nan 4.420 nan 0.000 0.215 99 P C 1.318 178.425 177.300 -0.322 0.000 1.153 99 P CA 1.680 64.328 63.100 -0.753 0.000 0.853 99 P CB -0.245 30.896 31.700 -0.932 0.000 0.788 100 Y N 0.598 120.698 120.300 -0.334 0.000 2.070 100 Y HA -0.266 4.284 4.550 -0.000 0.000 0.280 100 Y C 2.424 178.098 175.900 -0.376 0.000 1.148 100 Y CA 1.881 59.765 58.100 -0.361 0.000 1.125 100 Y CB -1.284 36.883 38.460 -0.489 0.000 0.975 100 Y HN -0.188 nan 8.280 nan 0.000 0.492 101 Y N -1.124 119.131 120.300 -0.075 0.000 2.569 101 Y HA -0.150 4.399 4.550 -0.001 0.000 0.293 101 Y C 2.169 178.027 175.900 -0.070 0.000 1.144 101 Y CA 0.876 58.921 58.100 -0.091 0.000 1.321 101 Y CB -0.619 37.475 38.460 -0.610 0.000 0.982 101 Y HN 0.040 nan 8.280 nan 0.000 0.558 102 V N -0.332 119.558 119.914 -0.040 0.000 2.374 102 V HA -0.201 3.919 4.120 -0.001 0.000 0.241 102 V C 1.665 177.733 176.094 -0.044 0.000 1.034 102 V CA 1.743 64.040 62.300 -0.005 0.000 1.037 102 V CB -0.555 31.261 31.823 -0.012 0.000 0.682 102 V HN 0.345 nan 8.190 nan 0.000 0.463 103 N N 0.554 119.177 118.700 -0.129 0.000 2.149 103 N HA -0.154 4.586 4.740 -0.001 0.000 0.188 103 N C 1.895 177.287 175.510 -0.197 0.000 1.019 103 N CA 1.343 54.299 53.050 -0.156 0.000 0.857 103 N CB -0.319 38.038 38.487 -0.217 0.000 0.997 103 N HN 0.475 nan 8.380 nan 0.000 0.426 104 A N 1.213 123.871 122.820 -0.270 0.000 1.859 104 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 104 A C 2.080 179.590 177.584 -0.123 0.000 1.198 104 A CA 1.279 53.161 52.037 -0.259 0.000 0.629 104 A CB -0.975 17.942 19.000 -0.139 0.000 0.830 104 A HN 0.221 nan 8.150 nan 0.000 0.446 105 L N -0.928 120.311 121.223 0.026 0.000 2.191 105 L HA -0.167 4.173 4.340 -0.001 0.000 0.212 105 L C 3.000 179.817 176.870 -0.089 0.000 1.103 105 L CA 0.745 55.599 54.840 0.023 0.000 0.769 105 L CB -0.620 41.524 42.059 0.141 0.000 0.908 105 L HN 0.491 nan 8.230 nan 0.000 0.438 106 A N 0.035 122.811 122.820 -0.072 0.000 1.832 106 A HA -0.233 4.086 4.320 -0.001 0.000 0.214 106 A C 2.020 179.560 177.584 -0.073 0.000 1.200 106 A CA 1.734 53.731 52.037 -0.068 0.000 0.610 106 A CB -0.705 18.269 19.000 -0.044 0.000 0.842 106 A HN 0.334 nan 8.150 nan 0.000 0.444 107 D N -0.307 120.039 120.400 -0.090 0.000 2.191 107 D HA -0.159 4.481 4.640 -0.001 0.000 0.195 107 D C 1.993 178.214 176.300 -0.132 0.000 1.003 107 D CA 1.807 55.751 54.000 -0.093 0.000 0.867 107 D CB -0.100 40.617 40.800 -0.139 0.000 0.926 107 D HN 0.225 nan 8.370 nan 0.000 0.450 108 V N 0.990 120.779 119.914 -0.209 0.000 2.358 108 V HA -0.203 3.917 4.120 -0.001 0.000 0.246 108 V C 2.577 178.509 176.094 -0.270 0.000 1.047 108 V CA 1.048 63.167 62.300 -0.301 0.000 1.035 108 V CB -0.300 31.218 31.823 -0.508 0.000 0.658 108 V HN 0.186 nan 8.190 nan 0.000 0.452 109 L N -1.730 119.323 121.223 -0.284 0.000 2.109 109 L HA -0.127 4.212 4.340 -0.001 0.000 0.207 109 L C 2.463 179.351 176.870 0.029 0.000 1.086 109 L CA 1.550 56.193 54.840 -0.328 0.000 0.760 109 L CB -0.522 41.311 42.059 -0.377 0.000 0.910 109 L HN 0.347 nan 8.230 nan 0.000 0.437 110 Y N 1.402 121.643 120.300 -0.099 0.000 2.301 110 Y HA -0.034 4.516 4.550 -0.001 0.000 0.295 110 Y C 1.625 177.520 175.900 -0.010 0.000 1.119 110 Y CA 0.681 58.761 58.100 -0.034 0.000 1.162 110 Y CB 0.329 38.762 38.460 -0.044 0.000 1.046 110 Y HN 0.063 nan 8.280 nan 0.000 0.538 111 K N 0.839 121.183 120.400 -0.095 0.000 3.237 111 K HA 0.246 4.565 4.320 -0.001 0.000 0.197 111 K C -0.800 175.725 176.600 -0.126 0.000 1.133 111 K CA -0.239 55.943 56.287 -0.174 0.000 0.944 111 K CB -0.474 31.891 32.500 -0.225 0.000 0.952 111 K HN 0.082 nan 8.250 nan 0.000 0.515 112 T N -0.410 114.079 114.554 -0.110 0.000 2.779 112 T HA 0.310 4.660 4.350 -0.001 0.000 0.296 112 T C 1.539 176.087 174.700 -0.254 0.000 0.938 112 T CA -0.161 61.760 62.100 -0.298 0.000 1.119 112 T CB 1.696 70.197 68.868 -0.612 0.000 0.891 112 T HN 0.319 nan 8.240 nan 0.000 0.526 113 A N 3.363 126.060 122.820 -0.205 0.000 1.927 113 A HA -0.012 4.307 4.320 -0.001 0.000 0.220 113 A C 1.064 178.654 177.584 0.010 0.000 1.185 113 A CA 0.886 52.874 52.037 -0.081 0.000 0.639 113 A CB -1.180 17.780 19.000 -0.066 0.000 0.820 113 A HN 0.968 nan 8.150 nan 0.000 0.451 114 F N -1.527 118.353 119.950 -0.116 0.000 2.905 114 F HA -0.151 4.375 4.527 -0.001 0.000 0.291 114 F C 0.251 176.013 175.800 -0.062 0.000 1.002 114 F CA 0.485 58.348 58.000 -0.228 0.000 0.978 114 F CB -1.511 37.252 39.000 -0.396 0.000 1.036 114 F HN 0.075 nan 8.300 nan 0.000 0.820 115 K N 0.901 121.347 120.400 0.076 0.000 2.249 115 K HA 0.227 4.547 4.320 -0.001 0.000 0.280 115 K C -1.309 175.256 176.600 -0.058 0.000 1.033 115 K CA -1.883 54.362 56.287 -0.071 0.000 0.946 115 K CB 0.740 33.048 32.500 -0.319 0.000 1.005 115 K HN -0.064 nan 8.250 nan 0.000 0.469 116 P HA -0.213 nan 4.420 nan 0.000 0.217 116 P C 1.090 178.415 177.300 0.042 0.000 1.151 116 P CA 1.513 64.643 63.100 0.049 0.000 0.849 116 P CB -0.009 31.730 31.700 0.064 0.000 0.787 117 H N -0.677 118.431 119.070 0.064 0.000 2.428 117 H HA 0.060 4.616 4.556 -0.001 0.000 0.296 117 H C 1.351 176.684 175.328 0.009 0.000 1.062 117 H CA 0.901 56.967 56.048 0.031 0.000 1.350 117 H CB -0.660 29.114 29.762 0.020 0.000 1.403 117 H HN 0.212 nan 8.280 nan 0.000 0.533 118 E N 0.693 120.731 120.200 -0.270 0.000 2.268 118 E HA -0.095 4.255 4.350 -0.001 0.000 0.195 118 E C 2.204 178.664 176.600 -0.234 0.000 0.995 118 E CA 0.657 56.954 56.400 -0.172 0.000 0.836 118 E CB 0.101 29.678 29.700 -0.205 0.000 0.763 118 E HN 0.292 nan 8.360 nan 0.000 0.491 119 L N 1.182 122.329 121.223 -0.127 0.000 2.007 119 L HA -0.142 4.198 4.340 -0.001 0.000 0.205 119 L C 2.555 179.369 176.870 -0.094 0.000 1.073 119 L CA 2.418 57.176 54.840 -0.138 0.000 0.744 119 L CB -0.960 41.144 42.059 0.075 0.000 0.898 119 L HN 0.130 nan 8.230 nan 0.000 0.435 120 T N -3.496 111.049 114.554 -0.015 0.000 2.867 120 T HA -0.135 4.214 4.350 -0.001 0.000 0.268 120 T C 1.609 176.309 174.700 0.001 0.000 1.057 120 T CA 1.553 63.657 62.100 0.006 0.000 1.136 120 T CB -0.496 68.393 68.868 0.036 0.000 0.874 120 T HN 0.526 nan 8.240 nan 0.000 0.466 121 E N 0.555 120.760 120.200 0.008 0.000 2.276 121 E HA 0.115 4.464 4.350 -0.001 0.000 0.193 121 E C 1.844 178.428 176.600 -0.026 0.000 0.983 121 E CA 0.737 57.142 56.400 0.009 0.000 0.861 121 E CB 0.295 30.026 29.700 0.052 0.000 0.817 121 E HN 0.536 nan 8.360 nan 0.000 0.485 122 S N -0.525 115.127 115.700 -0.079 0.000 3.186 122 S HA 0.039 4.509 4.470 -0.001 0.000 0.253 122 S C 1.991 176.499 174.600 -0.154 0.000 1.071 122 S CA -0.161 57.975 58.200 -0.107 0.000 0.796 122 S CB 0.153 63.280 63.200 -0.121 0.000 0.818 122 S HN -0.054 nan 8.310 nan 0.000 0.498 123 V N 3.321 123.062 119.914 -0.289 0.000 2.223 123 V HA -0.137 3.982 4.120 -0.001 0.000 0.244 123 V C 2.293 178.277 176.094 -0.183 0.000 1.045 123 V CA 1.793 63.900 62.300 -0.323 0.000 1.000 123 V CB -0.958 30.489 31.823 -0.625 0.000 0.635 123 V HN 0.335 nan 8.190 nan 0.000 0.445 124 L N -0.221 120.911 121.223 -0.153 0.000 2.021 124 L HA -0.208 4.131 4.340 -0.001 0.000 0.215 124 L C 0.136 177.011 176.870 0.008 0.000 1.074 124 L CA 2.233 57.033 54.840 -0.067 0.000 0.760 124 L CB -1.847 40.196 42.059 -0.028 0.000 0.889 124 L HN 0.352 nan 8.230 nan 0.000 0.433 125 P HA -0.212 nan 4.420 nan 0.000 0.211 125 P C 1.519 178.874 177.300 0.091 0.000 1.179 125 P CA 1.971 65.097 63.100 0.044 0.000 0.910 125 P CB -0.078 31.627 31.700 0.008 0.000 0.785 126 A N -0.211 122.648 122.820 0.065 0.000 1.917 126 A HA -0.216 4.104 4.320 -0.001 0.000 0.219 126 A C 2.319 180.040 177.584 0.228 0.000 1.182 126 A CA 2.464 54.591 52.037 0.149 0.000 0.633 126 A CB -1.728 17.328 19.000 0.094 0.000 0.819 126 A HN 0.210 nan 8.150 nan 0.000 0.448 127 A N -0.923 121.956 122.820 0.099 0.000 1.930 127 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 127 A C 2.167 179.919 177.584 0.280 0.000 1.175 127 A CA 1.880 53.952 52.037 0.057 0.000 0.627 127 A CB -0.380 18.434 19.000 -0.309 0.000 0.815 127 A HN 0.388 nan 8.150 nan 0.000 0.443 128 R N -1.471 119.173 120.500 0.241 0.000 2.096 128 R HA -0.116 4.223 4.340 -0.001 0.000 0.235 128 R C 1.916 178.399 176.300 0.306 0.000 1.127 128 R CA 1.653 57.923 56.100 0.282 0.000 0.968 128 R CB -0.966 29.459 30.300 0.208 0.000 0.861 128 R HN 0.728 nan 8.270 nan 0.000 0.440 129 Y N 1.475 121.860 120.300 0.142 0.000 2.114 129 Y HA -0.204 4.346 4.550 -0.001 0.000 0.284 129 Y C 1.483 177.453 175.900 0.118 0.000 1.143 129 Y CA 1.925 60.086 58.100 0.102 0.000 1.135 129 Y CB -0.517 37.988 38.460 0.074 0.000 0.980 129 Y HN 0.063 nan 8.280 nan 0.000 0.499 130 D N -0.631 119.770 120.400 0.001 0.000 2.172 130 D HA -0.268 4.372 4.640 -0.001 0.000 0.196 130 D C 1.928 178.212 176.300 -0.027 0.000 0.999 130 D CA 1.996 55.938 54.000 -0.096 0.000 0.856 130 D CB -0.775 40.137 40.800 0.187 0.000 0.934 130 D HN 0.561 nan 8.370 nan 0.000 0.453 131 Y N 0.953 121.269 120.300 0.027 0.000 2.337 131 Y HA 0.128 4.678 4.550 -0.000 0.000 0.293 131 Y C 2.165 178.053 175.900 -0.019 0.000 1.123 131 Y CA 0.969 59.077 58.100 0.013 0.000 1.201 131 Y CB -0.305 38.204 38.460 0.082 0.000 1.011 131 Y HN -0.064 nan 8.280 nan 0.000 0.545 132 A N -0.510 122.199 122.820 -0.185 0.000 1.930 132 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 132 A C 2.276 179.718 177.584 -0.237 0.000 1.175 132 A CA 1.962 53.861 52.037 -0.229 0.000 0.627 132 A CB -1.209 17.778 19.000 -0.022 0.000 0.815 132 A HN 0.297 nan 8.150 nan 0.000 0.443 133 V N -0.143 119.622 119.914 -0.248 0.000 2.244 133 V HA -0.207 3.912 4.120 -0.001 0.000 0.244 133 V C 3.053 179.028 176.094 -0.198 0.000 1.042 133 V CA 1.885 64.047 62.300 -0.230 0.000 1.006 133 V CB -1.359 30.253 31.823 -0.351 0.000 0.641 133 V HN 0.582 nan 8.190 nan 0.000 0.446 134 A N -0.450 122.241 122.820 -0.215 0.000 2.024 134 A HA -0.287 4.033 4.320 -0.001 0.000 0.220 134 A C 2.255 179.731 177.584 -0.180 0.000 1.164 134 A CA 1.966 53.899 52.037 -0.173 0.000 0.643 134 A CB -0.583 18.342 19.000 -0.126 0.000 0.806 134 A HN 0.654 nan 8.150 nan 0.000 0.451 135 E N -0.491 119.539 120.200 -0.283 0.000 2.338 135 E HA -0.178 4.171 4.350 -0.001 0.000 0.197 135 E C 1.621 178.222 176.600 0.002 0.000 1.007 135 E CA 0.934 57.196 56.400 -0.230 0.000 0.849 135 E CB -0.050 29.358 29.700 -0.487 0.000 0.774 135 E HN 0.803 nan 8.360 nan 0.000 0.506 136 Q N -0.898 118.897 119.800 -0.010 0.000 2.356 136 Q HA 0.116 4.456 4.340 -0.001 0.000 0.205 136 Q C 0.113 176.176 176.000 0.105 0.000 0.901 136 Q CA -0.120 55.756 55.803 0.122 0.000 0.938 136 Q CB 0.948 29.700 28.738 0.023 0.000 1.081 136 Q HN 0.098 nan 8.270 nan 0.000 0.517 137 C N 3.382 122.658 119.300 -0.040 0.000 2.146 137 C HA 0.298 4.757 4.460 -0.001 0.000 0.338 137 C C -1.192 173.658 174.990 -0.234 0.000 1.074 137 C CA -2.266 56.682 59.018 -0.117 0.000 1.527 137 C CB 0.144 27.805 27.740 -0.133 0.000 1.915 137 C HN 0.346 nan 8.230 nan 0.000 0.453 138 P HA -0.160 nan 4.420 nan 0.000 0.221 138 P C 1.271 178.349 177.300 -0.371 0.000 1.141 138 P CA 1.817 64.582 63.100 -0.557 0.000 0.794 138 P CB -0.162 31.154 31.700 -0.639 0.000 0.764 139 V N -2.627 117.085 119.914 -0.337 0.000 2.649 139 V HA 0.045 4.165 4.120 -0.001 0.000 0.248 139 V C 2.082 177.930 176.094 -0.410 0.000 1.054 139 V CA 1.068 63.097 62.300 -0.452 0.000 1.073 139 V CB -1.222 30.220 31.823 -0.635 0.000 0.699 139 V HN -0.038 nan 8.190 nan 0.000 0.463 140 K N 0.597 120.820 120.400 -0.295 0.000 2.444 140 K HA 0.210 4.529 4.320 -0.001 0.000 0.193 140 K C 1.927 178.446 176.600 -0.135 0.000 1.024 140 K CA 0.787 56.956 56.287 -0.198 0.000 1.077 140 K CB 0.219 32.617 32.500 -0.170 0.000 0.833 140 K HN 0.493 nan 8.250 nan 0.000 0.517 141 S N 0.210 115.807 115.700 -0.172 0.000 2.503 141 S HA 0.100 4.570 4.470 -0.001 0.000 0.215 141 S C 1.681 176.220 174.600 -0.101 0.000 1.003 141 S CA 0.299 58.414 58.200 -0.140 0.000 0.910 141 S CB 0.523 63.575 63.200 -0.246 0.000 0.790 141 S HN 0.351 nan 8.310 nan 0.000 0.514 142 A N 1.708 124.471 122.820 -0.096 0.000 1.871 142 A HA 0.106 4.426 4.320 -0.001 0.000 0.211 142 A C 1.875 179.534 177.584 0.125 0.000 1.207 142 A CA 0.865 52.904 52.037 0.003 0.000 0.620 142 A CB -0.504 18.527 19.000 0.052 0.000 0.860 142 A HN 0.461 nan 8.150 nan 0.000 0.450 143 E N -0.275 120.027 120.200 0.171 0.000 2.204 143 E HA -0.255 4.095 4.350 -0.001 0.000 0.195 143 E C 1.271 178.015 176.600 0.239 0.000 0.990 143 E CA 1.458 58.035 56.400 0.295 0.000 0.821 143 E CB -0.101 29.732 29.700 0.222 0.000 0.750 143 E HN 0.563 nan 8.360 nan 0.000 0.477 144 D N -0.345 120.114 120.400 0.097 0.000 2.137 144 D HA -0.103 4.537 4.640 -0.001 0.000 0.202 144 D C 1.937 178.304 176.300 0.111 0.000 0.970 144 D CA 0.655 54.694 54.000 0.065 0.000 0.837 144 D CB 0.126 40.929 40.800 0.006 0.000 0.981 144 D HN 0.035 nan 8.370 nan 0.000 0.475 145 Q N -0.124 119.722 119.800 0.077 0.000 2.226 145 Q HA -0.106 4.234 4.340 -0.001 0.000 0.204 145 Q C 1.920 177.971 176.000 0.085 0.000 0.975 145 Q CA 0.467 56.306 55.803 0.059 0.000 0.866 145 Q CB -0.155 28.592 28.738 0.016 0.000 0.915 145 Q HN 0.298 nan 8.270 nan 0.000 0.440 146 L N -0.776 120.527 121.223 0.134 0.000 1.973 146 L HA -0.154 4.186 4.340 -0.001 0.000 0.208 146 L C 2.054 178.988 176.870 0.107 0.000 1.073 146 L CA 1.728 56.630 54.840 0.104 0.000 0.746 146 L CB -1.421 40.707 42.059 0.115 0.000 0.891 146 L HN 0.186 nan 8.230 nan 0.000 0.433 147 Y N -0.208 120.123 120.300 0.053 0.000 2.193 147 Y HA -0.297 4.252 4.550 -0.001 0.000 0.285 147 Y C 2.466 178.419 175.900 0.088 0.000 1.166 147 Y CA 1.513 59.680 58.100 0.111 0.000 1.181 147 Y CB -0.981 37.591 38.460 0.187 0.000 0.976 147 Y HN 0.257 nan 8.280 nan 0.000 0.520 148 A N 0.412 123.363 122.820 0.217 0.000 1.908 148 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 148 A C 2.202 179.812 177.584 0.044 0.000 1.181 148 A CA 2.095 54.198 52.037 0.110 0.000 0.627 148 A CB -1.187 17.854 19.000 0.068 0.000 0.818 148 A HN 0.628 nan 8.150 nan 0.000 0.445 149 I N -2.839 117.745 120.570 0.023 0.000 2.852 149 I HA -0.003 4.167 4.170 -0.001 0.000 0.264 149 I C 2.281 178.379 176.117 -0.031 0.000 1.179 149 I CA 1.600 62.888 61.300 -0.021 0.000 1.480 149 I CB -0.782 37.217 38.000 -0.002 0.000 1.111 149 I HN 0.330 nan 8.210 nan 0.000 0.441 150 T N 0.697 115.207 114.554 -0.073 0.000 2.671 150 T HA -0.011 4.339 4.350 -0.001 0.000 0.250 150 T C 1.496 176.186 174.700 -0.018 0.000 1.068 150 T CA 1.051 63.058 62.100 -0.154 0.000 1.177 150 T CB -0.910 67.661 68.868 -0.495 0.000 0.876 150 T HN 0.271 nan 8.240 nan 0.000 0.405 151 F N 2.001 122.027 119.950 0.126 0.000 2.771 151 F HA 0.422 4.948 4.527 -0.001 0.000 0.299 151 F C 2.193 178.063 175.800 0.117 0.000 1.177 151 F CA -0.167 57.934 58.000 0.168 0.000 1.450 151 F CB -0.876 38.191 39.000 0.112 0.000 1.114 151 F HN 0.336 nan 8.300 nan 0.000 0.587 152 R N 0.079 120.668 120.500 0.148 0.000 2.921 152 R HA -0.398 3.942 4.340 -0.001 0.000 0.193 152 R C 1.642 177.969 176.300 0.045 0.000 0.860 152 R CA 2.545 58.630 56.100 -0.024 0.000 1.474 152 R CB -1.256 28.883 30.300 -0.268 0.000 0.643 152 R HN 0.261 nan 8.270 nan 0.000 0.634 153 K N -0.369 120.072 120.400 0.069 0.000 2.374 153 K HA 0.156 4.476 4.320 -0.001 0.000 0.202 153 K C 1.138 177.778 176.600 0.066 0.000 1.040 153 K CA 0.562 56.883 56.287 0.057 0.000 1.085 153 K CB 0.966 33.487 32.500 0.035 0.000 0.873 153 K HN 0.427 nan 8.250 nan 0.000 0.539 154 G N 0.837 109.692 108.800 0.091 0.000 2.632 154 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.220 154 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.220 154 G C 0.809 175.690 174.900 -0.032 0.000 1.439 154 G CA -0.056 45.054 45.100 0.018 0.000 0.934 154 G HN 0.091 nan 8.290 nan 0.000 0.536 155 L N 2.015 123.205 121.223 -0.055 0.000 2.554 155 L HA 0.265 4.604 4.340 -0.001 0.000 0.226 155 L C 2.723 179.737 176.870 0.240 0.000 1.137 155 L CA 0.820 55.653 54.840 -0.012 0.000 0.863 155 L CB -0.395 41.606 42.059 -0.098 0.000 0.985 155 L HN 0.316 nan 8.230 nan 0.000 0.451 156 G N -0.858 108.095 108.800 0.254 0.000 2.625 156 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.214 156 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.214 156 G C 0.803 175.768 174.900 0.108 0.000 1.132 156 G CA -0.046 45.192 45.100 0.230 0.000 0.782 156 G HN 0.299 nan 8.290 nan 0.000 0.538 157 N N 1.464 120.195 118.700 0.052 0.000 2.492 157 N HA 0.195 4.935 4.740 -0.001 0.000 0.262 157 N C -2.588 172.911 175.510 -0.018 0.000 1.202 157 N CA -1.074 51.978 53.050 0.002 0.000 0.926 157 N CB 1.097 39.568 38.487 -0.027 0.000 1.078 157 N HN 0.003 nan 8.380 nan 0.000 0.454 158 P HA 0.013 nan 4.420 nan 0.000 0.268 158 P C 0.962 178.227 177.300 -0.058 0.000 1.205 158 P CA -0.405 62.673 63.100 -0.036 0.000 0.771 158 P CB 0.707 32.386 31.700 -0.035 0.000 0.858 159 L N 4.214 125.388 121.223 -0.083 0.000 2.027 159 L HA 0.010 4.350 4.340 -0.001 0.000 0.206 159 L C 0.479 177.288 176.870 -0.101 0.000 1.074 159 L CA 1.834 56.614 54.840 -0.101 0.000 0.745 159 L CB -0.535 41.446 42.059 -0.130 0.000 0.898 159 L HN 0.253 nan 8.230 nan 0.000 0.433 160 L N -1.912 119.255 121.223 -0.093 0.000 2.334 160 L HA 0.222 4.562 4.340 -0.001 0.000 0.270 160 L C -0.685 176.243 176.870 0.097 0.000 1.018 160 L CA -1.046 53.741 54.840 -0.088 0.000 0.811 160 L CB 0.962 42.953 42.059 -0.114 0.000 1.271 160 L HN -0.058 nan 8.230 nan 0.000 0.443 161 Y N 1.318 121.795 120.300 0.296 0.000 2.377 161 Y HA 0.082 4.631 4.550 -0.001 0.000 0.330 161 Y C 0.148 175.905 175.900 -0.238 0.000 1.108 161 Y CA 0.021 58.149 58.100 0.047 0.000 1.308 161 Y CB 0.759 39.237 38.460 0.030 0.000 1.216 161 Y HN 0.727 nan 8.280 nan 0.000 0.518 162 D N 1.942 121.723 120.400 -1.032 0.000 2.538 162 D HA 0.157 4.797 4.640 -0.001 0.000 0.241 162 D C 1.015 176.760 176.300 -0.925 0.000 1.297 162 D CA 0.217 53.560 54.000 -1.095 0.000 0.804 162 D CB 0.137 40.314 40.800 -1.039 0.000 1.122 162 D HN 0.858 nan 8.370 nan 0.000 0.519 163 G N 1.107 109.092 108.800 -1.358 0.000 2.283 163 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.280 163 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.280 163 G C 1.138 175.866 174.900 -0.287 0.000 1.029 163 G CA 0.876 45.564 45.100 -0.687 0.000 0.840 163 G HN 0.880 nan 8.290 nan 0.000 0.505 164 V N -2.559 117.201 119.914 -0.256 0.000 2.719 164 V HA 0.288 4.407 4.120 -0.001 0.000 0.252 164 V C 0.913 176.965 176.094 -0.071 0.000 1.065 164 V CA 1.919 64.139 62.300 -0.134 0.000 1.086 164 V CB -0.119 31.634 31.823 -0.117 0.000 0.700 164 V HN 0.921 nan 8.190 nan 0.000 0.467 165 E N 1.774 121.943 120.200 -0.053 0.000 2.255 165 E HA 0.398 4.748 4.350 -0.001 0.000 0.256 165 E C -0.436 176.194 176.600 0.050 0.000 0.887 165 E CA -0.990 55.408 56.400 -0.003 0.000 0.782 165 E CB 1.223 30.921 29.700 -0.003 0.000 1.214 165 E HN 0.449 nan 8.360 nan 0.000 0.417 166 R N 2.009 122.542 120.500 0.056 0.000 2.566 166 R HA 0.105 4.445 4.340 -0.001 0.000 0.273 166 R C -0.495 175.856 176.300 0.084 0.000 0.981 166 R CA -0.262 55.895 56.100 0.095 0.000 1.091 166 R CB 0.036 30.371 30.300 0.058 0.000 0.924 166 R HN 0.336 nan 8.270 nan 0.000 0.411 167 V N 2.876 122.846 119.914 0.093 0.000 2.407 167 V HA 0.159 4.279 4.120 -0.001 0.000 0.291 167 V C 0.470 176.544 176.094 -0.033 0.000 1.018 167 V CA -0.670 61.630 62.300 0.001 0.000 0.842 167 V CB 1.541 33.321 31.823 -0.071 0.000 0.996 167 V HN 1.009 nan 8.190 nan 0.000 0.426 168 S N 4.821 120.505 115.700 -0.026 0.000 2.669 168 S HA 0.457 4.927 4.470 -0.001 0.000 0.270 168 S C 1.182 175.761 174.600 -0.035 0.000 1.225 168 S CA -0.592 57.594 58.200 -0.022 0.000 0.991 168 S CB 1.208 64.399 63.200 -0.015 0.000 0.987 168 S HN 0.605 nan 8.310 nan 0.000 0.552 169 L N 0.210 121.424 121.223 -0.015 0.000 2.079 169 L HA -0.181 4.159 4.340 -0.001 0.000 0.210 169 L C 2.883 179.689 176.870 -0.107 0.000 1.081 169 L CA 2.011 56.844 54.840 -0.013 0.000 0.752 169 L CB -0.528 41.543 42.059 0.021 0.000 0.896 169 L HN 0.909 nan 8.230 nan 0.000 0.433 170 Q N 0.269 120.013 119.800 -0.095 0.000 2.020 170 Q HA -0.242 4.098 4.340 -0.001 0.000 0.202 170 Q C 1.726 177.642 176.000 -0.140 0.000 0.982 170 Q CA 2.239 57.966 55.803 -0.126 0.000 0.838 170 Q CB -0.192 28.498 28.738 -0.080 0.000 0.899 170 Q HN 0.454 nan 8.270 nan 0.000 0.423 171 D N -0.011 120.333 120.400 -0.092 0.000 2.116 171 D HA -0.199 4.441 4.640 -0.001 0.000 0.193 171 D C 1.910 178.162 176.300 -0.080 0.000 0.998 171 D CA 1.611 55.570 54.000 -0.069 0.000 0.836 171 D CB -0.343 40.423 40.800 -0.056 0.000 0.951 171 D HN 0.391 nan 8.370 nan 0.000 0.449 172 I N 0.488 120.987 120.570 -0.119 0.000 2.335 172 I HA -0.251 3.918 4.170 -0.001 0.000 0.251 172 I C 2.442 178.381 176.117 -0.297 0.000 1.129 172 I CA 1.061 62.288 61.300 -0.123 0.000 1.402 172 I CB -0.142 37.820 38.000 -0.063 0.000 1.069 172 I HN -0.015 nan 8.210 nan 0.000 0.424 173 K N 0.574 120.699 120.400 -0.459 0.000 2.098 173 K HA -0.119 4.201 4.320 -0.001 0.000 0.203 173 K C 1.666 178.050 176.600 -0.359 0.000 1.051 173 K CA 1.024 56.908 56.287 -0.672 0.000 0.957 173 K CB 0.121 32.217 32.500 -0.672 0.000 0.738 173 K HN 0.128 nan 8.250 nan 0.000 0.447 174 D N 0.499 120.775 120.400 -0.206 0.000 2.104 174 D HA -0.195 4.445 4.640 -0.001 0.000 0.194 174 D C 1.601 177.839 176.300 -0.104 0.000 0.994 174 D CA 1.034 54.959 54.000 -0.126 0.000 0.830 174 D CB -0.285 40.476 40.800 -0.065 0.000 0.959 174 D HN 0.164 nan 8.370 nan 0.000 0.452 175 F N 1.417 121.249 119.950 -0.196 0.000 2.216 175 F HA -0.104 4.423 4.527 -0.001 0.000 0.300 175 F C 2.130 177.774 175.800 -0.260 0.000 1.085 175 F CA 1.290 59.183 58.000 -0.179 0.000 1.326 175 F CB -0.050 38.865 39.000 -0.141 0.000 1.027 175 F HN -0.072 nan 8.300 nan 0.000 0.497 176 A N -0.341 122.297 122.820 -0.304 0.000 2.015 176 A HA -0.129 4.191 4.320 -0.001 0.000 0.219 176 A C 1.920 179.251 177.584 -0.422 0.000 1.163 176 A CA 1.676 53.402 52.037 -0.518 0.000 0.646 176 A CB -0.739 18.070 19.000 -0.319 0.000 0.806 176 A HN 0.398 nan 8.150 nan 0.000 0.448 177 D N 0.006 120.237 120.400 -0.281 0.000 2.117 177 D HA -0.089 4.550 4.640 -0.001 0.000 0.198 177 D C 1.898 178.083 176.300 -0.193 0.000 0.982 177 D CA 1.160 55.061 54.000 -0.165 0.000 0.828 177 D CB -0.179 40.542 40.800 -0.131 0.000 0.967 177 D HN 0.460 nan 8.370 nan 0.000 0.464 178 K N 0.344 120.565 120.400 -0.298 0.000 2.001 178 K HA -0.052 4.268 4.320 -0.001 0.000 0.208 178 K C 2.177 178.576 176.600 -0.334 0.000 1.048 178 K CA 0.747 56.853 56.287 -0.302 0.000 0.932 178 K CB -0.014 32.279 32.500 -0.344 0.000 0.715 178 K HN -0.008 nan 8.250 nan 0.000 0.437 179 V N 0.341 119.936 119.914 -0.532 0.000 2.488 179 V HA -0.169 3.951 4.120 -0.001 0.000 0.246 179 V C 1.095 177.131 176.094 -0.097 0.000 1.046 179 V CA 1.078 63.133 62.300 -0.408 0.000 1.053 179 V CB -0.426 31.015 31.823 -0.637 0.000 0.679 179 V HN 0.263 nan 8.190 nan 0.000 0.458 180 Y N 2.374 122.596 120.300 -0.129 0.000 2.623 180 Y HA 0.312 4.861 4.550 -0.001 0.000 0.341 180 Y C 0.807 176.678 175.900 -0.049 0.000 1.292 180 Y CA -0.540 57.528 58.100 -0.053 0.000 1.840 180 Y CB -0.318 38.133 38.460 -0.015 0.000 1.865 180 Y HN 0.310 nan 8.280 nan 0.000 0.440 181 T N -3.397 111.212 114.554 0.091 0.000 2.906 181 T HA 0.297 4.646 4.350 -0.001 0.000 0.295 181 T C 0.741 175.449 174.700 0.014 0.000 1.061 181 T CA -1.170 60.944 62.100 0.023 0.000 1.000 181 T CB 2.194 71.048 68.868 -0.023 0.000 1.103 181 T HN 0.286 nan 8.240 nan 0.000 0.486 182 K N 0.550 120.945 120.400 -0.008 0.000 2.034 182 K HA -0.128 4.192 4.320 -0.001 0.000 0.214 182 K C 1.377 177.978 176.600 0.001 0.000 1.051 182 K CA 1.530 57.813 56.287 -0.007 0.000 0.931 182 K CB -0.098 32.388 32.500 -0.024 0.000 0.715 182 K HN 0.615 nan 8.250 nan 0.000 0.446 183 E N 0.608 120.799 120.200 -0.015 0.000 2.461 183 E HA -0.066 4.283 4.350 -0.001 0.000 0.196 183 E C 0.543 177.124 176.600 -0.033 0.000 1.129 183 E CA 0.468 56.853 56.400 -0.024 0.000 0.902 183 E CB -0.140 29.535 29.700 -0.041 0.000 0.963 183 E HN 0.309 nan 8.360 nan 0.000 0.503 184 N N -0.379 118.321 118.700 -0.001 0.000 2.129 184 N HA 0.033 4.773 4.740 -0.001 0.000 0.222 184 N C -0.415 175.183 175.510 0.147 0.000 1.303 184 N CA -0.058 52.999 53.050 0.012 0.000 0.897 184 N CB 0.574 39.037 38.487 -0.040 0.000 1.093 184 N HN -0.010 nan 8.380 nan 0.000 0.501 185 L N -0.846 120.452 121.223 0.126 0.000 2.333 185 L HA 0.745 5.084 4.340 -0.001 0.000 0.269 185 L C -1.129 175.825 176.870 0.140 0.000 1.010 185 L CA -0.767 54.164 54.840 0.152 0.000 0.818 185 L CB 1.906 44.036 42.059 0.117 0.000 1.306 185 L HN -0.078 nan 8.230 nan 0.000 0.430 186 E N 1.555 121.849 120.200 0.156 0.000 2.216 186 E HA 0.509 4.858 4.350 -0.001 0.000 0.260 186 E C -1.191 175.483 176.600 0.122 0.000 0.880 186 E CA -0.957 55.528 56.400 0.142 0.000 0.765 186 E CB 2.437 32.246 29.700 0.181 0.000 1.174 186 E HN 0.463 nan 8.360 nan 0.000 0.417 187 V N 2.335 122.309 119.914 0.100 0.000 2.614 187 V HA 0.138 4.258 4.120 -0.001 0.000 0.291 187 V C 0.238 176.391 176.094 0.097 0.000 1.049 187 V CA 0.147 62.506 62.300 0.098 0.000 1.038 187 V CB 1.395 33.272 31.823 0.090 0.000 0.980 187 V HN 0.660 nan 8.190 nan 0.000 0.481 188 S N 3.849 119.608 115.700 0.098 0.000 2.395 188 S HA 0.510 4.980 4.470 -0.001 0.000 0.207 188 S C 0.135 174.783 174.600 0.080 0.000 1.454 188 S CA -0.337 57.911 58.200 0.081 0.000 1.211 188 S CB 0.118 63.359 63.200 0.068 0.000 1.093 188 S HN 1.054 nan 8.310 nan 0.000 0.472 189 G N 2.169 111.020 108.800 0.084 0.000 2.380 189 G HA2 0.468 4.428 3.960 -0.001 0.000 0.262 189 G HA3 0.468 4.428 3.960 -0.001 0.000 0.262 189 G C -0.538 174.390 174.900 0.046 0.000 1.243 189 G CA -0.215 44.937 45.100 0.086 0.000 0.865 189 G HN 0.550 nan 8.290 nan 0.000 0.513 190 E N 1.870 122.080 120.200 0.017 0.000 2.191 190 E HA 0.288 4.638 4.350 -0.001 0.000 0.263 190 E C 0.453 177.020 176.600 -0.056 0.000 0.881 190 E CA -0.749 55.639 56.400 -0.020 0.000 0.757 190 E CB 0.449 30.126 29.700 -0.038 0.000 1.147 190 E HN 0.484 nan 8.360 nan 0.000 0.414 191 N N 3.008 121.682 118.700 -0.043 0.000 2.816 191 N HA -0.120 4.620 4.740 -0.001 0.000 0.247 191 N C -1.619 173.866 175.510 -0.041 0.000 1.100 191 N CA 0.836 53.850 53.050 -0.060 0.000 0.687 191 N CB -0.823 37.596 38.487 -0.114 0.000 1.003 191 N HN 0.225 nan 8.380 nan 0.000 0.554 192 V N 0.810 120.730 119.914 0.009 0.000 2.876 192 V HA 0.425 4.545 4.120 -0.001 0.000 0.312 192 V C 0.582 176.717 176.094 0.068 0.000 1.085 192 V CA -0.952 61.383 62.300 0.059 0.000 0.945 192 V CB 2.187 34.074 31.823 0.106 0.000 1.017 192 V HN 0.113 nan 8.190 nan 0.000 0.428 193 V N 1.231 121.198 119.914 0.088 0.000 2.403 193 V HA 0.185 4.304 4.120 -0.001 0.000 0.265 193 V C 1.382 177.527 176.094 0.085 0.000 1.034 193 V CA 0.105 62.453 62.300 0.080 0.000 1.036 193 V CB -0.035 31.840 31.823 0.088 0.000 1.032 193 V HN 1.004 nan 8.190 nan 0.000 0.478 194 E N 5.460 125.699 120.200 0.064 0.000 2.149 194 E HA -0.320 4.030 4.350 -0.001 0.000 0.215 194 E C 2.018 178.652 176.600 0.057 0.000 1.055 194 E CA 2.719 59.154 56.400 0.058 0.000 0.870 194 E CB -0.330 29.395 29.700 0.041 0.000 0.764 194 E HN 0.938 nan 8.360 nan 0.000 0.463 195 A N 0.523 123.370 122.820 0.045 0.000 1.865 195 A HA -0.230 4.090 4.320 -0.001 0.000 0.217 195 A C 2.029 179.628 177.584 0.025 0.000 1.191 195 A CA 2.033 54.086 52.037 0.026 0.000 0.623 195 A CB -0.806 18.203 19.000 0.015 0.000 0.826 195 A HN 0.343 nan 8.150 nan 0.000 0.444 196 D N -0.586 119.853 120.400 0.065 0.000 2.144 196 D HA -0.104 4.536 4.640 -0.001 0.000 0.200 196 D C 1.862 178.300 176.300 0.230 0.000 0.978 196 D CA 1.174 55.239 54.000 0.108 0.000 0.833 196 D CB -0.346 40.597 40.800 0.237 0.000 0.961 196 D HN 0.335 nan 8.370 nan 0.000 0.470 197 L N 1.493 122.844 121.223 0.214 0.000 1.976 197 L HA -0.140 4.200 4.340 -0.001 0.000 0.209 197 L C 2.033 179.001 176.870 0.164 0.000 1.071 197 L CA 1.801 56.777 54.840 0.228 0.000 0.746 197 L CB -0.362 41.798 42.059 0.168 0.000 0.890 197 L HN -0.182 nan 8.230 nan 0.000 0.432 198 K N -0.753 119.704 120.400 0.095 0.000 2.113 198 K HA -0.266 4.053 4.320 -0.001 0.000 0.208 198 K C 2.278 178.894 176.600 0.026 0.000 1.047 198 K CA 1.831 58.152 56.287 0.056 0.000 0.928 198 K CB -0.304 32.216 32.500 0.034 0.000 0.716 198 K HN 0.359 nan 8.250 nan 0.000 0.446 199 R N 0.422 120.912 120.500 -0.016 0.000 2.066 199 R HA -0.112 4.228 4.340 -0.001 0.000 0.232 199 R C 2.043 178.255 176.300 -0.146 0.000 1.131 199 R CA 1.452 57.472 56.100 -0.133 0.000 0.955 199 R CB -0.266 29.874 30.300 -0.266 0.000 0.851 199 R HN 0.109 nan 8.270 nan 0.000 0.432 200 F N 0.218 120.184 119.950 0.027 0.000 2.259 200 F HA -0.101 4.425 4.527 -0.000 0.000 0.298 200 F C 2.301 178.110 175.800 0.015 0.000 1.088 200 F CA 0.619 58.633 58.000 0.023 0.000 1.358 200 F CB 0.052 39.074 39.000 0.036 0.000 1.040 200 F HN -0.140 nan 8.300 nan 0.000 0.505 201 V N -0.945 119.083 119.914 0.190 0.000 2.407 201 V HA -0.256 3.864 4.120 -0.001 0.000 0.248 201 V C 0.487 176.617 176.094 0.061 0.000 1.055 201 V CA 1.509 63.874 62.300 0.108 0.000 1.049 201 V CB -0.431 31.442 31.823 0.084 0.000 0.662 201 V HN 0.170 nan 8.190 nan 0.000 0.455 202 D N 1.509 121.934 120.400 0.041 0.000 2.741 202 D HA 0.224 4.863 4.640 -0.001 0.000 0.233 202 D C 0.819 177.123 176.300 0.006 0.000 1.160 202 D CA 0.386 54.391 54.000 0.010 0.000 1.003 202 D CB -0.097 40.700 40.800 -0.005 0.000 1.064 202 D HN 0.889 nan 8.370 nan 0.000 0.503 203 E N -1.472 118.742 120.200 0.023 0.000 2.239 203 E HA -0.076 4.273 4.350 -0.001 0.000 0.100 203 E C -0.561 176.067 176.600 0.046 0.000 0.733 203 E CA -0.315 56.102 56.400 0.028 0.000 1.428 203 E CB -0.949 28.770 29.700 0.030 0.000 1.638 203 E HN 0.135 nan 8.360 nan 0.000 0.463 204 S N -0.030 115.691 115.700 0.035 0.000 2.677 204 S HA 0.605 5.074 4.470 -0.001 0.000 0.304 204 S C 0.519 175.108 174.600 -0.018 0.000 1.108 204 S CA -0.902 57.311 58.200 0.022 0.000 0.944 204 S CB 1.269 64.491 63.200 0.036 0.000 1.127 204 S HN 0.074 nan 8.310 nan 0.000 0.511 205 L N 1.215 122.421 121.223 -0.029 0.000 2.675 205 L HA 0.167 4.507 4.340 -0.001 0.000 0.238 205 L C 1.551 178.332 176.870 -0.148 0.000 1.155 205 L CA 0.469 55.257 54.840 -0.087 0.000 0.881 205 L CB -0.885 41.182 42.059 0.013 0.000 1.008 205 L HN 0.585 nan 8.230 nan 0.000 0.443 206 L N -0.860 120.313 121.223 -0.084 0.000 2.313 206 L HA -0.013 4.327 4.340 -0.001 0.000 0.214 206 L C 2.451 179.267 176.870 -0.090 0.000 1.119 206 L CA 1.542 56.336 54.840 -0.076 0.000 0.809 206 L CB -1.051 40.993 42.059 -0.025 0.000 0.933 206 L HN 0.521 nan 8.230 nan 0.000 0.449 207 S N -2.840 112.807 115.700 -0.089 0.000 2.458 207 S HA -0.057 4.412 4.470 -0.001 0.000 0.223 207 S C 1.743 176.267 174.600 -0.126 0.000 1.019 207 S CA 0.681 58.832 58.200 -0.082 0.000 0.937 207 S CB -0.287 62.883 63.200 -0.050 0.000 0.788 207 S HN 0.284 nan 8.310 nan 0.000 0.511 208 T N 2.458 116.894 114.554 -0.197 0.000 3.055 208 T HA 0.293 4.643 4.350 -0.001 0.000 0.265 208 T C 0.605 175.068 174.700 -0.396 0.000 1.111 208 T CA 0.109 62.044 62.100 -0.275 0.000 1.118 208 T CB -0.425 68.242 68.868 -0.335 0.000 0.909 208 T HN 0.317 nan 8.240 nan 0.000 0.501 209 L N 2.308 123.292 121.223 -0.398 0.000 2.514 209 L HA 0.146 4.486 4.340 -0.001 0.000 0.280 209 L C -2.109 174.666 176.870 -0.157 0.000 1.223 209 L CA -1.713 52.932 54.840 -0.325 0.000 0.864 209 L CB -0.028 41.914 42.059 -0.194 0.000 1.118 209 L HN -0.057 nan 8.230 nan 0.000 0.494 210 P HA 0.030 nan 4.420 nan 0.000 0.268 210 P C -1.006 176.270 177.300 -0.040 0.000 1.204 210 P CA -0.063 63.011 63.100 -0.042 0.000 0.768 210 P CB 0.734 32.431 31.700 -0.005 0.000 0.842 211 A N 3.597 126.393 122.820 -0.039 0.000 2.838 211 A HA 0.573 4.893 4.320 -0.001 0.000 0.337 211 A C 0.837 178.397 177.584 -0.039 0.000 1.383 211 A CA -0.316 51.698 52.037 -0.037 0.000 0.985 211 A CB -0.479 18.500 19.000 -0.036 0.000 1.157 211 A HN 0.586 nan 8.150 nan 0.000 0.497 212 G N 1.266 110.039 108.800 -0.045 0.000 2.588 212 G HA2 0.418 4.378 3.960 -0.001 0.000 0.278 212 G HA3 0.418 4.378 3.960 -0.001 0.000 0.278 212 G C 0.086 174.947 174.900 -0.065 0.000 1.307 212 G CA -0.771 44.295 45.100 -0.056 0.000 1.016 212 G HN 0.688 nan 8.290 nan 0.000 0.503 213 K N -0.185 120.169 120.400 -0.076 0.000 2.202 213 K HA 0.264 4.584 4.320 -0.001 0.000 0.264 213 K C 0.186 176.714 176.600 -0.120 0.000 1.010 213 K CA -0.350 55.886 56.287 -0.086 0.000 0.940 213 K CB 0.996 33.447 32.500 -0.080 0.000 0.983 213 K HN 0.310 nan 8.250 nan 0.000 0.475 214 S N 1.673 117.296 115.700 -0.129 0.000 2.564 214 S HA 0.081 4.550 4.470 -0.001 0.000 0.278 214 S C 0.438 174.892 174.600 -0.244 0.000 1.333 214 S CA -0.652 57.436 58.200 -0.187 0.000 1.048 214 S CB 0.073 63.167 63.200 -0.176 0.000 0.900 214 S HN 0.579 nan 8.310 nan 0.000 0.505 215 L N 5.383 126.379 121.223 -0.377 0.000 2.978 215 L HA 0.349 4.689 4.340 -0.001 0.000 0.239 215 L C -1.134 175.439 176.870 -0.496 0.000 1.293 215 L CA -0.340 54.221 54.840 -0.466 0.000 1.085 215 L CB 0.315 41.977 42.059 -0.662 0.000 1.432 215 L HN 0.492 nan 8.230 nan 0.000 0.512 216 V N -1.147 118.570 119.914 -0.329 0.000 2.495 216 V HA 0.448 4.568 4.120 -0.001 0.000 0.298 216 V C 0.195 176.233 176.094 -0.093 0.000 1.031 216 V CA -0.696 61.488 62.300 -0.193 0.000 0.871 216 V CB 1.554 33.218 31.823 -0.265 0.000 0.988 216 V HN 0.347 nan 8.190 nan 0.000 0.432 217 S N 2.576 118.261 115.700 -0.025 0.000 2.475 217 S HA 0.445 4.915 4.470 -0.001 0.000 0.298 217 S C 0.490 175.094 174.600 0.006 0.000 1.119 217 S CA -0.792 57.400 58.200 -0.014 0.000 1.085 217 S CB 1.539 64.738 63.200 -0.002 0.000 1.028 217 S HN 0.914 nan 8.310 nan 0.000 0.489 218 K N 0.919 121.323 120.400 0.006 0.000 2.459 218 K HA 0.077 4.397 4.320 -0.001 0.000 0.193 218 K C 0.559 177.179 176.600 0.034 0.000 1.030 218 K CA 0.258 56.560 56.287 0.024 0.000 1.026 218 K CB -0.145 32.366 32.500 0.018 0.000 0.809 218 K HN 0.600 nan 8.250 nan 0.000 0.504 219 S N 0.712 116.425 115.700 0.022 0.000 2.617 219 S HA 0.267 4.737 4.470 -0.001 0.000 0.283 219 S C -0.684 173.933 174.600 0.027 0.000 1.189 219 S CA -1.071 57.141 58.200 0.019 0.000 1.036 219 S CB 1.350 64.548 63.200 -0.003 0.000 1.014 219 S HN 0.131 nan 8.310 nan 0.000 0.522 220 E N 2.660 122.878 120.200 0.030 0.000 2.324 220 E HA 0.342 4.692 4.350 -0.001 0.000 0.271 220 E C -2.119 174.450 176.600 -0.052 0.000 1.028 220 E CA -1.028 55.404 56.400 0.053 0.000 0.890 220 E CB 0.112 29.850 29.700 0.064 0.000 1.004 220 E HN 0.511 nan 8.360 nan 0.000 0.431 221 P HA 0.215 nan 4.420 nan 0.000 0.306 221 P C -1.116 176.226 177.300 0.069 0.000 1.385 221 P CA -0.900 62.200 63.100 0.002 0.000 0.915 221 P CB 1.031 32.745 31.700 0.024 0.000 1.013 222 K N 2.687 123.062 120.400 -0.041 0.000 2.596 222 K HA -0.187 4.133 4.320 -0.001 0.000 0.300 222 K C 0.295 177.081 176.600 0.310 0.000 1.132 222 K CA 0.783 57.066 56.287 -0.005 0.000 1.094 222 K CB -0.654 31.991 32.500 0.242 0.000 0.956 222 K HN 0.400 nan 8.250 nan 0.000 0.430 223 F N 1.672 121.644 119.950 0.037 0.000 2.243 223 F HA 0.180 4.707 4.527 -0.000 0.000 0.287 223 F C 0.820 176.713 175.800 0.155 0.000 1.067 223 F CA -0.468 57.585 58.000 0.088 0.000 1.304 223 F CB -0.517 38.489 39.000 0.009 0.000 1.087 223 F HN 0.532 nan 8.300 nan 0.000 0.513 224 F N 0.997 121.062 119.950 0.193 0.000 2.146 224 F HA -0.197 4.329 4.527 -0.001 0.000 0.375 224 F C -0.413 175.416 175.800 0.048 0.000 1.135 224 F CA -0.400 57.654 58.000 0.089 0.000 1.259 224 F CB -1.477 37.562 39.000 0.065 0.000 1.902 224 F HN -0.199 nan 8.300 nan 0.000 0.753 225 L N 1.980 123.296 121.223 0.157 0.000 2.334 225 L HA 0.806 5.145 4.340 -0.001 0.000 0.270 225 L C 1.224 178.118 176.870 0.040 0.000 1.018 225 L CA -0.449 54.437 54.840 0.077 0.000 0.811 225 L CB 1.719 43.806 42.059 0.047 0.000 1.271 225 L HN 0.813 nan 8.230 nan 0.000 0.443 226 G N 0.246 109.027 108.800 -0.031 0.000 2.137 226 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.237 226 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.237 226 G C 0.010 174.899 174.900 -0.018 0.000 1.002 226 G CA -0.373 44.676 45.100 -0.084 0.000 0.702 226 G HN 0.521 nan 8.290 nan 0.000 0.515 227 E N 0.419 120.636 120.200 0.029 0.000 2.266 227 E HA 0.505 4.855 4.350 -0.001 0.000 0.277 227 E C 0.210 176.859 176.600 0.082 0.000 1.018 227 E CA -0.252 56.182 56.400 0.057 0.000 0.840 227 E CB 1.806 31.542 29.700 0.060 0.000 1.082 227 E HN 0.665 nan 8.360 nan 0.000 0.395 228 E N 2.943 123.197 120.200 0.091 0.000 2.293 228 E HA 0.340 4.690 4.350 -0.001 0.000 0.270 228 E C -1.234 175.408 176.600 0.070 0.000 0.879 228 E CA -0.671 55.805 56.400 0.127 0.000 0.756 228 E CB 1.591 31.415 29.700 0.208 0.000 1.208 228 E HN 0.265 nan 8.360 nan 0.000 0.428 229 N N 2.747 121.460 118.700 0.022 0.000 2.369 229 N HA 0.320 5.060 4.740 -0.001 0.000 0.287 229 N C -1.754 173.715 175.510 -0.068 0.000 1.067 229 N CA -0.461 52.584 53.050 -0.008 0.000 0.888 229 N CB 1.783 40.265 38.487 -0.009 0.000 1.616 229 N HN 0.527 nan 8.380 nan 0.000 0.482 230 R N 1.421 121.889 120.500 -0.053 0.000 2.445 230 R HA 0.634 4.973 4.340 -0.001 0.000 0.308 230 R C -0.783 175.488 176.300 -0.048 0.000 0.961 230 R CA -0.903 55.142 56.100 -0.092 0.000 0.862 230 R CB 2.004 32.242 30.300 -0.103 0.000 1.144 230 R HN 0.128 nan 8.270 nan 0.000 0.447 231 V N 3.752 123.635 119.914 -0.053 0.000 2.444 231 V HA 0.362 4.482 4.120 -0.001 0.000 0.294 231 V C 0.209 176.325 176.094 0.036 0.000 1.022 231 V CA -1.010 61.288 62.300 -0.004 0.000 0.850 231 V CB 1.565 33.381 31.823 -0.012 0.000 0.992 231 V HN 0.669 nan 8.190 nan 0.000 0.426 232 R N 3.762 124.299 120.500 0.061 0.000 2.491 232 R HA 0.523 4.863 4.340 -0.001 0.000 0.283 232 R C -1.032 175.378 176.300 0.184 0.000 1.072 232 R CA 0.005 56.156 56.100 0.085 0.000 1.048 232 R CB 0.705 31.036 30.300 0.051 0.000 0.983 232 R HN 0.604 nan 8.270 nan 0.000 0.450 233 F N 2.229 122.162 119.950 -0.028 0.000 2.641 233 F HA 0.418 4.945 4.527 -0.001 0.000 0.308 233 F C -1.102 174.683 175.800 -0.026 0.000 1.105 233 F CA -0.924 57.059 58.000 -0.029 0.000 0.964 233 F CB 1.499 40.476 39.000 -0.037 0.000 1.294 233 F HN 0.297 nan 8.300 nan 0.000 0.442 234 I N 5.308 125.539 120.570 -0.566 0.000 2.321 234 I HA 0.710 4.880 4.170 -0.001 0.000 0.291 234 I C 0.406 176.284 176.117 -0.398 0.000 0.998 234 I CA 0.090 61.172 61.300 -0.362 0.000 1.227 234 I CB 0.806 38.613 38.000 -0.321 0.000 1.368 234 I HN 0.883 nan 8.210 nan 0.000 0.466 235 G N 5.478 114.255 108.800 -0.038 0.000 2.225 235 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.203 235 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.203 235 G C -1.338 173.666 174.900 0.174 0.000 1.335 235 G CA -0.811 44.341 45.100 0.086 0.000 1.183 235 G HN 0.429 nan 8.290 nan 0.000 0.488 236 D N 1.435 121.953 120.400 0.197 0.000 2.351 236 D HA 0.556 5.195 4.640 -0.001 0.000 0.251 236 D C 0.418 176.771 176.300 0.089 0.000 1.137 236 D CA 0.406 54.469 54.000 0.105 0.000 0.879 236 D CB 1.279 42.107 40.800 0.047 0.000 1.181 236 D HN 0.436 nan 8.370 nan 0.000 0.448 237 S N 0.822 116.553 115.700 0.052 0.000 2.537 237 S HA 0.476 4.946 4.470 -0.001 0.000 0.275 237 S C -0.252 174.336 174.600 -0.019 0.000 1.272 237 S CA -0.781 57.432 58.200 0.020 0.000 1.050 237 S CB 1.716 64.934 63.200 0.030 0.000 0.961 237 S HN 0.286 nan 8.310 nan 0.000 0.496 238 V N 2.098 121.977 119.914 -0.058 0.000 2.686 238 V HA 0.803 4.923 4.120 -0.001 0.000 0.306 238 V C -0.802 175.263 176.094 -0.048 0.000 1.065 238 V CA -0.639 61.635 62.300 -0.044 0.000 0.894 238 V CB 1.497 33.276 31.823 -0.073 0.000 1.004 238 V HN 1.044 nan 8.190 nan 0.000 0.424 239 A N 5.388 128.208 122.820 0.000 0.000 2.317 239 A HA 1.040 5.360 4.320 -0.001 0.000 0.327 239 A C -0.133 177.475 177.584 0.039 0.000 1.178 239 A CA 0.086 52.117 52.037 -0.010 0.000 0.817 239 A CB 1.509 20.582 19.000 0.121 0.000 1.189 239 A HN 2.188 nan 8.150 nan 0.000 0.489 240 A N 1.777 124.589 122.820 -0.014 0.000 2.594 240 A HA 0.744 5.064 4.320 -0.001 0.000 0.295 240 A C -0.723 176.861 177.584 0.000 0.000 1.071 240 A CA -0.297 51.731 52.037 -0.015 0.000 0.685 240 A CB 0.868 19.907 19.000 0.065 0.000 1.285 240 A HN 1.882 nan 8.150 nan 0.000 0.405 241 I N -0.985 119.528 120.570 -0.095 0.000 2.785 241 I HA 0.969 5.138 4.170 -0.001 0.000 0.302 241 I C 0.009 176.074 176.117 -0.087 0.000 1.069 241 I CA -0.925 60.370 61.300 -0.008 0.000 1.045 241 I CB 2.495 40.404 38.000 -0.152 0.000 1.236 241 I HN 0.821 nan 8.210 nan 0.000 0.429 242 G N 5.284 114.104 108.800 0.033 0.000 2.591 242 G HA2 0.769 4.728 3.960 -0.001 0.000 0.306 242 G HA3 0.769 4.728 3.960 -0.001 0.000 0.306 242 G C -1.345 173.576 174.900 0.035 0.000 1.334 242 G CA -0.748 44.334 45.100 -0.031 0.000 0.981 242 G HN 0.645 nan 8.290 nan 0.000 0.491 243 I N 2.101 122.672 120.570 0.001 0.000 2.500 243 I HA 0.274 4.444 4.170 -0.001 0.000 0.286 243 I C -2.572 173.378 176.117 -0.278 0.000 1.063 243 I CA -2.101 59.161 61.300 -0.062 0.000 1.062 243 I CB 3.349 41.381 38.000 0.054 0.000 1.223 243 I HN 0.195 nan 8.210 nan 0.000 0.435 244 P HA 0.170 nan 4.420 nan 0.000 0.275 244 P C -0.658 176.256 177.300 -0.644 0.000 1.227 244 P CA -0.245 62.489 63.100 -0.610 0.000 0.781 244 P CB 0.966 32.093 31.700 -0.956 0.000 0.906 245 V N 0.433 120.062 119.914 -0.474 0.000 3.103 245 V HA 0.573 4.692 4.120 -0.001 0.000 0.318 245 V C -0.195 175.810 176.094 -0.148 0.000 1.114 245 V CA -0.947 61.124 62.300 -0.382 0.000 1.020 245 V CB 1.874 33.493 31.823 -0.340 0.000 1.085 245 V HN 0.339 nan 8.190 nan 0.000 0.446 246 N N 0.570 119.272 118.700 0.004 0.000 2.476 246 N HA 0.286 5.026 4.740 -0.001 0.000 0.275 246 N C 0.292 175.887 175.510 0.142 0.000 1.190 246 N CA -0.626 52.516 53.050 0.154 0.000 0.977 246 N CB 1.438 40.023 38.487 0.164 0.000 1.200 246 N HN 0.661 nan 8.380 nan 0.000 0.515 247 K N 0.350 120.846 120.400 0.160 0.000 2.519 247 K HA -0.092 4.227 4.320 -0.001 0.000 0.196 247 K C 0.925 177.592 176.600 0.112 0.000 1.041 247 K CA 0.837 57.205 56.287 0.134 0.000 0.954 247 K CB 0.108 32.682 32.500 0.124 0.000 0.774 247 K HN 0.560 nan 8.250 nan 0.000 0.480 248 A N -1.073 121.814 122.820 0.112 0.000 2.027 248 A HA 0.042 4.362 4.320 -0.001 0.000 0.196 248 A C 1.567 179.219 177.584 0.114 0.000 1.573 248 A CA 0.030 52.129 52.037 0.103 0.000 1.097 248 A CB 0.092 19.147 19.000 0.092 0.000 1.196 248 A HN 0.130 nan 8.150 nan 0.000 0.462 249 S N 0.639 116.418 115.700 0.131 0.000 2.595 249 S HA -0.055 4.415 4.470 -0.001 0.000 0.235 249 S C 1.797 176.535 174.600 0.230 0.000 0.974 249 S CA 0.998 59.303 58.200 0.175 0.000 0.942 249 S CB -0.920 62.397 63.200 0.195 0.000 0.766 249 S HN 0.638 nan 8.310 nan 0.000 0.536 250 L N -0.408 120.908 121.223 0.156 0.000 2.109 250 L HA 0.241 4.580 4.340 -0.001 0.000 0.207 250 L C 2.432 179.390 176.870 0.147 0.000 1.086 250 L CA 1.347 56.275 54.840 0.146 0.000 0.760 250 L CB -1.190 40.923 42.059 0.091 0.000 0.910 250 L HN 0.250 nan 8.230 nan 0.000 0.437 251 A N 1.249 124.136 122.820 0.112 0.000 2.032 251 A HA -0.278 4.041 4.320 -0.001 0.000 0.221 251 A C 2.343 179.964 177.584 0.062 0.000 1.165 251 A CA 2.045 54.132 52.037 0.084 0.000 0.645 251 A CB -0.669 18.389 19.000 0.097 0.000 0.807 251 A HN 0.852 nan 8.150 nan 0.000 0.453 252 Q N -2.508 117.321 119.800 0.050 0.000 2.163 252 Q HA -0.088 4.252 4.340 -0.001 0.000 0.198 252 Q C 1.644 177.516 176.000 -0.214 0.000 0.954 252 Q CA 1.279 57.039 55.803 -0.072 0.000 0.851 252 Q CB -0.575 28.098 28.738 -0.109 0.000 0.928 252 Q HN 0.590 nan 8.270 nan 0.000 0.459 253 Y N 1.257 121.425 120.300 -0.219 0.000 2.569 253 Y HA -0.062 4.488 4.550 -0.001 0.000 0.293 253 Y C 2.168 177.979 175.900 -0.148 0.000 1.144 253 Y CA 1.002 58.883 58.100 -0.365 0.000 1.321 253 Y CB 0.242 38.516 38.460 -0.310 0.000 0.982 253 Y HN 0.240 nan 8.280 nan 0.000 0.558 254 E N -0.279 119.960 120.200 0.065 0.000 2.170 254 E HA -0.103 4.247 4.350 -0.001 0.000 0.191 254 E C 2.358 178.978 176.600 0.033 0.000 0.981 254 E CA 1.168 57.611 56.400 0.071 0.000 0.830 254 E CB -0.034 29.683 29.700 0.029 0.000 0.775 254 E HN 0.431 nan 8.360 nan 0.000 0.470 255 V N -0.596 119.306 119.914 -0.020 0.000 2.788 255 V HA -0.081 4.038 4.120 -0.001 0.000 0.251 255 V C 2.316 178.408 176.094 -0.004 0.000 1.068 255 V CA 0.883 63.183 62.300 -0.000 0.000 1.090 255 V CB -0.481 31.335 31.823 -0.012 0.000 0.710 255 V HN 0.117 nan 8.190 nan 0.000 0.467 256 L N 2.014 123.136 121.223 -0.169 0.000 2.017 256 L HA 0.085 4.425 4.340 -0.001 0.000 0.208 256 L C 2.612 179.527 176.870 0.074 0.000 1.073 256 L CA 2.566 57.247 54.840 -0.266 0.000 0.745 256 L CB -1.236 40.273 42.059 -0.917 0.000 0.894 256 L HN 0.329 nan 8.230 nan 0.000 0.432 257 A N -0.300 122.668 122.820 0.246 0.000 1.858 257 A HA -0.239 4.081 4.320 -0.001 0.000 0.216 257 A C 2.112 179.815 177.584 0.199 0.000 1.190 257 A CA 2.037 54.302 52.037 0.381 0.000 0.617 257 A CB -1.030 18.200 19.000 0.384 0.000 0.827 257 A HN 0.614 nan 8.150 nan 0.000 0.443 258 N N -1.728 117.066 118.700 0.158 0.000 2.223 258 N HA -0.169 4.571 4.740 -0.001 0.000 0.185 258 N C 1.555 177.226 175.510 0.269 0.000 1.016 258 N CA 1.546 54.693 53.050 0.161 0.000 0.863 258 N CB -0.391 38.145 38.487 0.081 0.000 0.983 258 N HN 0.640 nan 8.380 nan 0.000 0.429 259 Y N 1.244 121.616 120.300 0.120 0.000 2.181 259 Y HA -0.050 4.500 4.550 -0.000 0.000 0.288 259 Y C 1.490 177.440 175.900 0.083 0.000 1.146 259 Y CA 1.331 59.490 58.100 0.097 0.000 1.164 259 Y CB -0.345 38.140 38.460 0.041 0.000 0.982 259 Y HN 0.011 nan 8.280 nan 0.000 0.515 260 L N -0.631 120.576 121.223 -0.027 0.000 2.478 260 L HA -0.042 4.298 4.340 -0.001 0.000 0.223 260 L C 0.953 177.794 176.870 -0.050 0.000 1.140 260 L CA 1.179 55.949 54.840 -0.117 0.000 0.842 260 L CB -0.433 41.647 42.059 0.036 0.000 0.953 260 L HN 0.095 nan 8.230 nan 0.000 0.452 261 T N -0.451 114.120 114.554 0.028 0.000 3.242 261 T HA 0.261 4.611 4.350 -0.001 0.000 0.253 261 T C 0.225 174.977 174.700 0.086 0.000 0.946 261 T CA -0.075 62.055 62.100 0.050 0.000 0.944 261 T CB -0.157 68.753 68.868 0.070 0.000 1.122 261 T HN 0.371 nan 8.240 nan 0.000 0.546 262 S N -0.478 115.234 115.700 0.020 0.000 2.643 262 S HA 0.717 5.186 4.470 -0.001 0.000 0.270 262 S C 0.850 175.394 174.600 -0.093 0.000 1.166 262 S CA -0.458 57.743 58.200 0.002 0.000 0.815 262 S CB 1.113 64.327 63.200 0.023 0.000 1.139 262 S HN 0.052 nan 8.310 nan 0.000 0.472 263 A N 0.111 122.867 122.820 -0.106 0.000 2.239 263 A HA 0.294 4.613 4.320 -0.001 0.000 0.209 263 A C 1.619 179.141 177.584 -0.105 0.000 1.171 263 A CA 0.407 52.385 52.037 -0.098 0.000 0.768 263 A CB -0.997 17.953 19.000 -0.082 0.000 0.790 263 A HN 0.747 nan 8.150 nan 0.000 0.478 264 L N -0.661 120.491 121.223 -0.119 0.000 2.291 264 L HA 0.003 4.342 4.340 -0.001 0.000 0.214 264 L C 1.436 178.240 176.870 -0.109 0.000 1.120 264 L CA 0.530 55.353 54.840 -0.028 0.000 0.799 264 L CB -0.271 41.862 42.059 0.123 0.000 0.925 264 L HN 0.403 nan 8.230 nan 0.000 0.446 265 S N 0.058 115.504 115.700 -0.424 0.000 2.513 265 S HA 0.079 4.549 4.470 -0.001 0.000 0.276 265 S C 0.906 175.372 174.600 -0.224 0.000 1.254 265 S CA -0.581 57.260 58.200 -0.598 0.000 1.053 265 S CB 0.986 63.696 63.200 -0.818 0.000 0.958 265 S HN 0.174 nan 8.310 nan 0.000 0.491 266 E N 2.698 122.830 120.200 -0.112 0.000 2.485 266 E HA 0.015 4.365 4.350 -0.001 0.000 0.194 266 E C -0.040 176.530 176.600 -0.050 0.000 1.098 266 E CA 0.339 56.712 56.400 -0.047 0.000 0.878 266 E CB -0.149 29.552 29.700 0.002 0.000 0.939 266 E HN 0.625 nan 8.360 nan 0.000 0.503 267 L N -3.575 117.596 121.223 -0.087 0.000 3.556 267 L HA 0.197 4.537 4.340 -0.001 0.000 0.346 267 L C 1.033 177.861 176.870 -0.069 0.000 1.340 267 L CA -0.252 54.553 54.840 -0.058 0.000 0.962 267 L CB -0.210 41.831 42.059 -0.030 0.000 1.384 267 L HN -0.169 nan 8.230 nan 0.000 0.615 268 S N -1.258 114.385 115.700 -0.095 0.000 2.522 268 S HA 0.158 4.627 4.470 -0.001 0.000 0.227 268 S C 1.535 176.111 174.600 -0.039 0.000 0.986 268 S CA 0.630 58.784 58.200 -0.077 0.000 0.929 268 S CB -0.207 62.934 63.200 -0.098 0.000 0.769 268 S HN 0.520 nan 8.310 nan 0.000 0.529 269 G N 0.500 109.280 108.800 -0.033 0.000 3.088 269 G HA2 0.339 4.299 3.960 -0.001 0.000 0.217 269 G HA3 0.339 4.299 3.960 -0.001 0.000 0.217 269 G C 0.833 175.728 174.900 -0.009 0.000 1.159 269 G CA -0.107 44.982 45.100 -0.018 0.000 0.760 269 G HN 0.447 nan 8.290 nan 0.000 0.550 270 L N 0.759 121.976 121.223 -0.009 0.000 2.585 270 L HA 0.437 4.777 4.340 -0.001 0.000 0.226 270 L C 0.917 177.793 176.870 0.010 0.000 1.113 270 L CA 0.145 54.985 54.840 0.001 0.000 0.876 270 L CB 0.004 42.063 42.059 0.000 0.000 1.072 270 L HN 0.340 nan 8.230 nan 0.000 0.468 271 I N -5.911 114.664 120.570 0.009 0.000 2.740 271 I HA 0.469 4.638 4.170 -0.001 0.000 0.303 271 I C 0.628 176.765 176.117 0.032 0.000 1.044 271 I CA -0.415 60.900 61.300 0.025 0.000 1.064 271 I CB 1.956 39.967 38.000 0.019 0.000 1.249 271 I HN -0.265 nan 8.210 nan 0.000 0.433 272 S N 1.801 117.536 115.700 0.059 0.000 2.441 272 S HA 0.084 4.554 4.470 -0.001 0.000 0.224 272 S C 0.709 175.346 174.600 0.062 0.000 1.043 272 S CA 0.438 58.666 58.200 0.048 0.000 0.948 272 S CB 0.055 63.277 63.200 0.037 0.000 0.810 272 S HN 0.779 nan 8.310 nan 0.000 0.504 273 S N -0.447 115.335 115.700 0.137 0.000 2.537 273 S HA 0.711 5.181 4.470 -0.001 0.000 0.271 273 S C -2.037 172.651 174.600 0.146 0.000 1.148 273 S CA -0.369 57.926 58.200 0.158 0.000 0.868 273 S CB 1.691 65.001 63.200 0.182 0.000 1.115 273 S HN 0.410 nan 8.310 nan 0.000 0.461 274 A N 3.620 126.461 122.820 0.035 0.000 2.442 274 A HA 0.800 5.119 4.320 -0.001 0.000 0.284 274 A C -0.900 176.598 177.584 -0.142 0.000 1.058 274 A CA -0.764 51.197 52.037 -0.126 0.000 0.738 274 A CB 0.933 19.899 19.000 -0.055 0.000 1.242 274 A HN 0.995 nan 8.150 nan 0.000 0.421 275 K N 0.824 121.030 120.400 -0.324 0.000 2.548 275 K HA 0.827 5.146 4.320 -0.001 0.000 0.282 275 K C -1.855 174.578 176.600 -0.277 0.000 1.006 275 K CA -0.924 55.251 56.287 -0.187 0.000 0.892 275 K CB 1.660 34.129 32.500 -0.052 0.000 1.499 275 K HN 0.724 nan 8.250 nan 0.000 0.433 276 L N 1.341 122.551 121.223 -0.022 0.000 2.372 276 L HA 0.431 4.771 4.340 -0.001 0.000 0.274 276 L C -1.550 175.327 176.870 0.011 0.000 0.988 276 L CA -0.172 54.717 54.840 0.082 0.000 0.833 276 L CB 1.664 43.873 42.059 0.249 0.000 1.236 276 L HN 0.606 nan 8.230 nan 0.000 0.410 277 D N 5.186 125.588 120.400 0.003 0.000 2.317 277 D HA 0.219 4.859 4.640 -0.001 0.000 0.252 277 D C -0.537 175.589 176.300 -0.289 0.000 1.174 277 D CA 0.011 53.943 54.000 -0.114 0.000 0.866 277 D CB 1.216 42.060 40.800 0.073 0.000 1.127 277 D HN 0.494 nan 8.370 nan 0.000 0.467 278 K N 2.218 122.363 120.400 -0.425 0.000 2.159 278 K HA 0.541 4.861 4.320 -0.001 0.000 0.266 278 K C -0.523 175.707 176.600 -0.616 0.000 0.975 278 K CA -0.459 55.621 56.287 -0.345 0.000 0.865 278 K CB 1.438 33.854 32.500 -0.140 0.000 1.087 278 K HN 0.259 nan 8.250 nan 0.000 0.446 279 F N -0.934 119.089 119.950 0.121 0.000 2.650 279 F HA 0.176 4.703 4.527 -0.001 0.000 0.320 279 F C 1.614 177.489 175.800 0.124 0.000 1.091 279 F CA -1.041 57.039 58.000 0.134 0.000 0.962 279 F CB 1.752 40.808 39.000 0.093 0.000 1.363 279 F HN 0.596 nan 8.300 nan 0.000 0.482 280 T N -3.572 111.195 114.554 0.355 0.000 3.118 280 T HA -0.057 4.293 4.350 -0.001 0.000 0.260 280 T C 0.328 175.138 174.700 0.182 0.000 1.139 280 T CA 1.156 63.395 62.100 0.230 0.000 1.085 280 T CB -0.402 68.594 68.868 0.213 0.000 0.934 280 T HN 0.648 nan 8.240 nan 0.000 0.518 281 D N -0.573 119.947 120.400 0.200 0.000 2.673 281 D HA 0.421 5.061 4.640 -0.001 0.000 0.278 281 D C 0.861 177.269 176.300 0.180 0.000 1.393 281 D CA 0.054 54.142 54.000 0.146 0.000 0.805 281 D CB 0.341 41.192 40.800 0.084 0.000 1.110 281 D HN 0.498 nan 8.370 nan 0.000 0.476 282 G N -0.619 108.320 108.800 0.231 0.000 2.174 282 G HA2 0.475 4.435 3.960 -0.001 0.000 0.070 282 G HA3 0.475 4.435 3.960 -0.001 0.000 0.070 282 G C -0.102 174.973 174.900 0.292 0.000 1.120 282 G CA 0.204 45.458 45.100 0.257 0.000 1.194 282 G HN 1.096 nan 8.290 nan 0.000 0.435 283 G N -1.429 107.604 108.800 0.390 0.000 2.345 283 G HA2 0.571 4.530 3.960 -0.001 0.000 0.310 283 G HA3 0.571 4.530 3.960 -0.001 0.000 0.310 283 G C -2.255 172.862 174.900 0.361 0.000 1.476 283 G CA 0.278 45.631 45.100 0.423 0.000 0.978 283 G HN 1.806 nan 8.290 nan 0.000 0.656 284 L N 0.084 121.472 121.223 0.276 0.000 2.408 284 L HA 0.900 5.240 4.340 -0.001 0.000 0.268 284 L C -1.253 175.633 176.870 0.027 0.000 0.986 284 L CA -1.040 53.827 54.840 0.046 0.000 0.820 284 L CB 1.788 43.766 42.059 -0.135 0.000 1.303 284 L HN 0.721 nan 8.230 nan 0.000 0.411 285 F N 3.594 123.439 119.950 -0.176 0.000 2.436 285 F HA 0.756 5.283 4.527 -0.000 0.000 0.340 285 F C -0.251 175.463 175.800 -0.143 0.000 1.113 285 F CA -0.063 57.864 58.000 -0.122 0.000 1.022 285 F CB 1.541 40.475 39.000 -0.109 0.000 1.128 285 F HN 0.625 nan 8.300 nan 0.000 0.466 286 T N 5.245 119.303 114.554 -0.828 0.000 2.893 286 T HA 0.645 4.995 4.350 -0.001 0.000 0.293 286 T C -1.357 172.672 174.700 -1.119 0.000 1.027 286 T CA -0.794 60.818 62.100 -0.813 0.000 0.988 286 T CB 1.741 70.271 68.868 -0.562 0.000 1.043 286 T HN 0.819 nan 8.240 nan 0.000 0.461 287 L N 2.640 123.255 121.223 -1.014 0.000 2.438 287 L HA 0.814 5.154 4.340 -0.001 0.000 0.270 287 L C -2.016 174.404 176.870 -0.750 0.000 0.972 287 L CA -0.986 53.437 54.840 -0.696 0.000 0.831 287 L CB 1.171 43.070 42.059 -0.266 0.000 1.273 287 L HN 0.737 nan 8.230 nan 0.000 0.405 288 F N 4.253 124.154 119.950 -0.082 0.000 2.495 288 F HA 0.605 5.132 4.527 -0.000 0.000 0.327 288 F C -0.151 175.624 175.800 -0.041 0.000 1.103 288 F CA -0.996 56.968 58.000 -0.060 0.000 0.949 288 F CB 2.044 41.000 39.000 -0.073 0.000 1.142 288 F HN 0.024 nan 8.300 nan 0.000 0.457 289 V N 4.062 124.059 119.914 0.139 0.000 2.266 289 V HA 0.386 4.506 4.120 -0.001 0.000 0.271 289 V C -0.181 175.952 176.094 0.066 0.000 1.032 289 V CA -0.608 61.740 62.300 0.080 0.000 0.806 289 V CB 0.833 32.690 31.823 0.058 0.000 1.052 289 V HN 0.712 nan 8.190 nan 0.000 0.449 290 R N 3.125 123.656 120.500 0.051 0.000 2.460 290 R HA 0.673 5.013 4.340 -0.001 0.000 0.303 290 R C -1.462 174.845 176.300 0.011 0.000 0.968 290 R CA -0.221 55.888 56.100 0.016 0.000 0.889 290 R CB 1.864 32.155 30.300 -0.015 0.000 1.123 290 R HN 0.758 nan 8.270 nan 0.000 0.455 291 D N 0.690 121.096 120.400 0.010 0.000 2.694 291 D HA 0.005 4.645 4.640 -0.001 0.000 0.260 291 D C 0.321 176.631 176.300 0.017 0.000 1.250 291 D CA -0.510 53.498 54.000 0.013 0.000 0.763 291 D CB 1.617 42.427 40.800 0.017 0.000 1.311 291 D HN 0.499 nan 8.370 nan 0.000 0.420 292 Q N 0.156 119.966 119.800 0.017 0.000 2.002 292 Q HA -0.110 4.230 4.340 -0.001 0.000 0.204 292 Q C -0.113 175.902 176.000 0.024 0.000 0.988 292 Q CA 1.492 57.308 55.803 0.021 0.000 0.843 292 Q CB 0.023 28.770 28.738 0.016 0.000 0.908 292 Q HN 0.607 nan 8.270 nan 0.000 0.420 293 D N -1.021 119.393 120.400 0.022 0.000 2.177 293 D HA 0.022 4.661 4.640 -0.001 0.000 0.247 293 D C 0.584 176.900 176.300 0.027 0.000 1.063 293 D CA 0.364 54.379 54.000 0.024 0.000 0.867 293 D CB 1.636 42.449 40.800 0.020 0.000 1.168 293 D HN 0.211 nan 8.370 nan 0.000 0.445 294 S N 1.968 117.686 115.700 0.029 0.000 2.420 294 S HA -0.219 4.250 4.470 -0.001 0.000 0.237 294 S C 1.923 176.544 174.600 0.036 0.000 1.023 294 S CA 0.904 59.124 58.200 0.033 0.000 0.991 294 S CB -0.550 62.670 63.200 0.034 0.000 0.792 294 S HN 0.657 nan 8.310 nan 0.000 0.488 295 A N 1.856 124.696 122.820 0.032 0.000 1.845 295 A HA 0.046 4.366 4.320 -0.001 0.000 0.215 295 A C 2.437 180.040 177.584 0.032 0.000 1.195 295 A CA 1.681 53.738 52.037 0.033 0.000 0.616 295 A CB -1.252 17.765 19.000 0.027 0.000 0.832 295 A HN 0.445 nan 8.150 nan 0.000 0.443 296 V N -0.081 119.850 119.914 0.027 0.000 2.469 296 V HA -0.238 3.881 4.120 -0.001 0.000 0.251 296 V C 2.558 178.670 176.094 0.030 0.000 1.064 296 V CA 1.961 64.276 62.300 0.025 0.000 1.066 296 V CB -0.731 31.104 31.823 0.020 0.000 0.667 296 V HN 0.379 nan 8.190 nan 0.000 0.461 297 V N -0.498 119.437 119.914 0.034 0.000 2.307 297 V HA -0.218 3.902 4.120 -0.001 0.000 0.245 297 V C 2.524 178.651 176.094 0.055 0.000 1.045 297 V CA 2.220 64.545 62.300 0.043 0.000 1.024 297 V CB -0.662 31.185 31.823 0.041 0.000 0.651 297 V HN 0.552 nan 8.190 nan 0.000 0.449 298 S N 0.069 115.802 115.700 0.056 0.000 2.359 298 S HA -0.207 4.263 4.470 -0.001 0.000 0.224 298 S C 2.258 176.889 174.600 0.052 0.000 1.035 298 S CA 1.861 60.100 58.200 0.064 0.000 1.018 298 S CB -0.322 62.915 63.200 0.061 0.000 0.876 298 S HN 0.595 nan 8.310 nan 0.000 0.448 299 S N 2.215 117.939 115.700 0.040 0.000 2.343 299 S HA -0.091 4.379 4.470 -0.001 0.000 0.219 299 S C 1.701 176.318 174.600 0.028 0.000 1.033 299 S CA 1.366 59.584 58.200 0.031 0.000 1.014 299 S CB -0.631 62.584 63.200 0.025 0.000 0.915 299 S HN 0.499 nan 8.310 nan 0.000 0.435 300 N N 1.013 119.730 118.700 0.027 0.000 2.443 300 N HA -0.013 4.727 4.740 -0.001 0.000 0.184 300 N C 1.324 176.849 175.510 0.024 0.000 1.037 300 N CA 0.475 53.539 53.050 0.023 0.000 0.896 300 N CB -0.194 38.306 38.487 0.022 0.000 0.959 300 N HN 0.318 nan 8.380 nan 0.000 0.442 301 I N 0.361 120.953 120.570 0.036 0.000 2.628 301 I HA 0.024 4.193 4.170 -0.001 0.000 0.255 301 I C 1.843 177.967 176.117 0.012 0.000 1.119 301 I CA 0.887 62.208 61.300 0.035 0.000 1.448 301 I CB -0.092 37.963 38.000 0.092 0.000 1.133 301 I HN -0.117 nan 8.210 nan 0.000 0.438 302 K N 0.425 120.838 120.400 0.022 0.000 2.211 302 K HA -0.275 4.045 4.320 -0.001 0.000 0.204 302 K C 2.119 178.724 176.600 0.008 0.000 1.047 302 K CA 1.673 57.968 56.287 0.013 0.000 0.935 302 K CB 0.011 32.525 32.500 0.025 0.000 0.728 302 K HN 0.153 nan 8.250 nan 0.000 0.452 303 K N 0.735 121.141 120.400 0.010 0.000 2.044 303 K HA -0.032 4.288 4.320 -0.001 0.000 0.204 303 K C 1.805 178.408 176.600 0.004 0.000 1.045 303 K CA 1.071 57.363 56.287 0.009 0.000 0.951 303 K CB -0.108 32.399 32.500 0.011 0.000 0.738 303 K HN -0.004 nan 8.250 nan 0.000 0.443 304 I N 1.122 121.691 120.570 -0.002 0.000 2.208 304 I HA -0.216 3.954 4.170 -0.001 0.000 0.245 304 I C 2.270 178.375 176.117 -0.020 0.000 1.097 304 I CA 1.066 62.363 61.300 -0.005 0.000 1.363 304 I CB -1.189 36.804 38.000 -0.012 0.000 1.051 304 I HN -0.002 nan 8.210 nan 0.000 0.413 305 V N 1.294 121.177 119.914 -0.052 0.000 2.427 305 V HA -0.204 3.915 4.120 -0.001 0.000 0.248 305 V C 2.771 178.863 176.094 -0.003 0.000 1.051 305 V CA 1.785 64.043 62.300 -0.070 0.000 1.048 305 V CB -0.936 30.832 31.823 -0.091 0.000 0.666 305 V HN 0.475 nan 8.190 nan 0.000 0.456 306 A N -0.975 121.849 122.820 0.006 0.000 1.930 306 A HA -0.202 4.118 4.320 -0.001 0.000 0.215 306 A C 2.173 179.761 177.584 0.007 0.000 1.176 306 A CA 1.498 53.542 52.037 0.012 0.000 0.632 306 A CB -0.462 18.545 19.000 0.012 0.000 0.819 306 A HN 0.535 nan 8.150 nan 0.000 0.445 307 D N -0.139 120.268 120.400 0.010 0.000 2.183 307 D HA -0.055 4.585 4.640 -0.001 0.000 0.203 307 D C 1.797 178.111 176.300 0.023 0.000 0.969 307 D CA 0.895 54.906 54.000 0.018 0.000 0.842 307 D CB 0.086 40.901 40.800 0.026 0.000 0.957 307 D HN 0.451 nan 8.370 nan 0.000 0.484 308 L N 0.177 121.412 121.223 0.020 0.000 2.249 308 L HA -0.003 4.337 4.340 -0.001 0.000 0.207 308 L C 2.563 179.396 176.870 -0.061 0.000 1.090 308 L CA 0.341 55.191 54.840 0.017 0.000 0.802 308 L CB -0.095 42.002 42.059 0.064 0.000 0.947 308 L HN -0.143 nan 8.230 nan 0.000 0.453 309 K N 0.715 121.090 120.400 -0.042 0.000 2.113 309 K HA -0.205 4.114 4.320 -0.001 0.000 0.208 309 K C 1.352 177.909 176.600 -0.072 0.000 1.047 309 K CA 1.201 57.455 56.287 -0.055 0.000 0.928 309 K CB 0.013 32.508 32.500 -0.008 0.000 0.716 309 K HN 0.022 nan 8.250 nan 0.000 0.446 310 K N 1.419 121.792 120.400 -0.045 0.000 3.006 310 K HA 0.059 4.378 4.320 -0.001 0.000 0.262 310 K C -0.129 176.443 176.600 -0.047 0.000 1.289 310 K CA -0.361 55.902 56.287 -0.040 0.000 1.245 310 K CB -0.180 32.310 32.500 -0.017 0.000 1.614 310 K HN 0.158 nan 8.250 nan 0.000 0.322 311 G N 2.545 111.287 108.800 -0.096 0.000 3.597 311 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.243 311 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.243 311 G C -0.466 174.406 174.900 -0.047 0.000 1.275 311 G CA 0.284 45.316 45.100 -0.113 0.000 0.878 311 G HN 0.675 nan 8.290 nan 0.000 0.611 312 K N -1.063 119.323 120.400 -0.023 0.000 2.842 312 K HA 0.593 4.913 4.320 -0.001 0.000 0.293 312 K C -0.670 175.890 176.600 -0.066 0.000 1.068 312 K CA -0.437 55.836 56.287 -0.023 0.000 0.827 312 K CB 1.228 33.737 32.500 0.015 0.000 1.524 312 K HN 0.511 nan 8.250 nan 0.000 0.368 313 D N -1.279 119.029 120.400 -0.153 0.000 1.858 313 D HA -0.068 4.572 4.640 -0.001 0.000 0.069 313 D C 0.046 176.211 176.300 -0.226 0.000 1.447 313 D CA 0.714 54.532 54.000 -0.304 0.000 0.518 313 D CB 0.066 40.736 40.800 -0.216 0.000 3.280 313 D HN 0.516 nan 8.370 nan 0.000 0.191 314 L N 0.562 121.707 121.223 -0.130 0.000 5.044 314 L HA -0.292 4.048 4.340 -0.001 0.000 0.412 314 L C 0.755 177.580 176.870 -0.075 0.000 0.971 314 L CA 2.353 57.143 54.840 -0.084 0.000 1.411 314 L CB -2.521 39.499 42.059 -0.064 0.000 1.884 314 L HN 1.092 nan 8.230 nan 0.000 0.631 315 S N -3.604 112.032 115.700 -0.107 0.000 3.482 315 S HA -0.114 4.356 4.470 -0.001 0.000 0.294 315 S C -0.892 173.698 174.600 -0.018 0.000 1.244 315 S CA 0.768 58.933 58.200 -0.060 0.000 0.911 315 S CB -2.045 61.143 63.200 -0.019 0.000 1.070 315 S HN 0.355 nan 8.310 nan 0.000 0.614 316 P HA 0.213 nan 4.420 nan 0.000 0.228 316 P C 1.676 179.018 177.300 0.070 0.000 1.151 316 P CA 1.280 64.392 63.100 0.019 0.000 0.770 316 P CB -0.279 31.432 31.700 0.019 0.000 0.786 317 A N -0.943 121.930 122.820 0.087 0.000 2.016 317 A HA -0.026 4.294 4.320 -0.001 0.000 0.217 317 A C 1.092 178.806 177.584 0.217 0.000 1.162 317 A CA 0.361 52.522 52.037 0.207 0.000 0.662 317 A CB -1.060 18.059 19.000 0.198 0.000 0.812 317 A HN 0.092 nan 8.150 nan 0.000 0.450 318 I N 0.796 121.454 120.570 0.147 0.000 2.872 318 I HA -0.051 4.119 4.170 -0.001 0.000 0.291 318 I C 0.986 177.223 176.117 0.200 0.000 1.216 318 I CA 0.909 62.322 61.300 0.188 0.000 1.424 318 I CB -0.040 38.061 38.000 0.169 0.000 1.351 318 I HN 0.493 nan 8.210 nan 0.000 0.592 319 N N 2.740 121.574 118.700 0.223 0.000 2.965 319 N HA -0.318 4.422 4.740 -0.001 0.000 0.232 319 N C 0.338 175.961 175.510 0.187 0.000 0.913 319 N CA 1.791 54.953 53.050 0.187 0.000 0.981 319 N CB -0.918 37.663 38.487 0.156 0.000 1.077 319 N HN 0.826 nan 8.380 nan 0.000 0.589 320 Y N -0.249 120.077 120.300 0.043 0.000 2.846 320 Y HA 0.106 4.656 4.550 -0.001 0.000 0.258 320 Y C 2.159 178.062 175.900 0.006 0.000 1.077 320 Y CA 1.116 59.232 58.100 0.026 0.000 1.270 320 Y CB -0.343 38.141 38.460 0.040 0.000 1.476 320 Y HN -0.028 nan 8.280 nan 0.000 0.460 321 T N 0.427 114.958 114.554 -0.038 0.000 3.077 321 T HA -0.082 4.268 4.350 -0.001 0.000 0.269 321 T C 0.697 175.276 174.700 -0.203 0.000 1.146 321 T CA 1.206 63.215 62.100 -0.153 0.000 1.091 321 T CB -0.328 68.540 68.868 -0.001 0.000 0.892 321 T HN 0.046 nan 8.240 nan 0.000 0.533 322 K N 0.924 121.215 120.400 -0.182 0.000 3.010 322 K HA 0.401 4.720 4.320 -0.001 0.000 0.211 322 K C 0.275 176.774 176.600 -0.168 0.000 1.146 322 K CA -0.226 55.908 56.287 -0.255 0.000 1.070 322 K CB 0.469 32.715 32.500 -0.423 0.000 0.908 322 K HN 0.196 nan 8.250 nan 0.000 0.463 323 L N -1.174 119.936 121.223 -0.187 0.000 2.658 323 L HA 0.271 4.611 4.340 -0.001 0.000 0.222 323 L C 0.920 177.680 176.870 -0.183 0.000 1.033 323 L CA 0.626 55.382 54.840 -0.141 0.000 0.949 323 L CB 0.224 42.228 42.059 -0.092 0.000 1.698 323 L HN -0.011 nan 8.230 nan 0.000 0.498 324 K N 0.826 121.049 120.400 -0.295 0.000 2.217 324 K HA 0.012 4.332 4.320 -0.001 0.000 0.202 324 K C 1.598 178.091 176.600 -0.179 0.000 1.051 324 K CA 1.052 57.184 56.287 -0.260 0.000 0.952 324 K CB -0.157 32.121 32.500 -0.371 0.000 0.736 324 K HN 0.297 nan 8.250 nan 0.000 0.453 325 N N -0.757 117.832 118.700 -0.186 0.000 2.314 325 N HA 0.055 4.795 4.740 -0.001 0.000 0.200 325 N C 0.520 175.950 175.510 -0.133 0.000 1.135 325 N CA 0.322 53.281 53.050 -0.151 0.000 0.835 325 N CB 0.443 38.827 38.487 -0.171 0.000 0.989 325 N HN 0.155 nan 8.380 nan 0.000 0.478 326 A N -0.268 122.479 122.820 -0.123 0.000 1.993 326 A HA 0.056 4.375 4.320 -0.001 0.000 0.207 326 A C 2.056 179.597 177.584 -0.072 0.000 1.224 326 A CA 0.339 52.320 52.037 -0.093 0.000 0.749 326 A CB -0.240 18.709 19.000 -0.084 0.000 0.884 326 A HN 0.164 nan 8.150 nan 0.000 0.467 327 V N -1.748 118.122 119.914 -0.074 0.000 2.446 327 V HA -0.190 3.930 4.120 -0.001 0.000 0.244 327 V C 2.311 178.369 176.094 -0.060 0.000 1.039 327 V CA 1.965 64.229 62.300 -0.059 0.000 1.045 327 V CB -1.310 30.480 31.823 -0.056 0.000 0.681 327 V HN 0.579 nan 8.190 nan 0.000 0.459 328 Q N 1.339 121.097 119.800 -0.070 0.000 2.112 328 Q HA -0.196 4.143 4.340 -0.001 0.000 0.206 328 Q C 0.340 176.302 176.000 -0.063 0.000 0.987 328 Q CA 1.884 57.647 55.803 -0.067 0.000 0.858 328 Q CB -0.173 28.520 28.738 -0.075 0.000 0.905 328 Q HN 0.699 nan 8.270 nan 0.000 0.420 329 N N 1.518 120.179 118.700 -0.064 0.000 2.508 329 N HA 0.011 4.750 4.740 -0.001 0.000 0.253 329 N C -0.435 175.047 175.510 -0.047 0.000 1.145 329 N CA 0.314 53.331 53.050 -0.056 0.000 0.973 329 N CB 0.899 39.352 38.487 -0.058 0.000 1.305 329 N HN 0.449 nan 8.380 nan 0.000 0.506 330 E N -1.518 118.655 120.200 -0.044 0.000 2.633 330 E HA 0.177 4.527 4.350 -0.001 0.000 0.222 330 E C -0.518 176.061 176.600 -0.036 0.000 0.899 330 E CA -0.296 56.081 56.400 -0.039 0.000 1.292 330 E CB 0.166 29.841 29.700 -0.042 0.000 1.257 330 E HN -0.019 nan 8.360 nan 0.000 0.626 331 S N 2.184 117.859 115.700 -0.041 0.000 3.729 331 S HA 0.176 4.645 4.470 -0.001 0.000 0.235 331 S C 0.650 175.233 174.600 -0.029 0.000 1.367 331 S CA 0.021 58.196 58.200 -0.042 0.000 0.907 331 S CB 0.521 63.682 63.200 -0.064 0.000 1.471 331 S HN 0.687 nan 8.310 nan 0.000 0.476 332 V N 0.604 120.511 119.914 -0.013 0.000 4.288 332 V HA -0.219 3.900 4.120 -0.001 0.000 0.203 332 V C 0.104 176.206 176.094 0.014 0.000 0.611 332 V CA 0.923 63.226 62.300 0.005 0.000 0.871 332 V CB -2.775 29.060 31.823 0.019 0.000 0.883 332 V HN 0.928 nan 8.190 nan 0.000 0.957 333 S N -1.225 114.477 115.700 0.003 0.000 2.461 333 S HA 0.663 5.133 4.470 -0.001 0.000 0.245 333 S C -0.362 174.238 174.600 -0.001 0.000 1.039 333 S CA 0.156 58.363 58.200 0.013 0.000 1.077 333 S CB 1.209 64.422 63.200 0.023 0.000 1.171 333 S HN 2.071 nan 8.310 nan 0.000 0.433 334 S N 2.823 118.525 115.700 0.003 0.000 2.078 334 S HA 0.528 4.998 4.470 -0.001 0.000 0.168 334 S C -0.991 173.610 174.600 0.003 0.000 1.542 334 S CA -0.812 57.383 58.200 -0.009 0.000 1.223 334 S CB -0.148 63.044 63.200 -0.013 0.000 1.152 334 S HN 0.688 nan 8.310 nan 0.000 0.452 335 P HA 0.340 nan 4.420 nan 0.000 0.251 335 P C 1.333 178.645 177.300 0.020 0.000 1.289 335 P CA -0.296 62.819 63.100 0.027 0.000 0.676 335 P CB -0.145 31.578 31.700 0.039 0.000 1.294 336 I N -1.990 118.596 120.570 0.027 0.000 4.905 336 I HA -0.481 3.688 4.170 -0.001 0.000 0.038 336 I C 1.228 177.377 176.117 0.054 0.000 0.635 336 I CA 2.025 63.342 61.300 0.029 0.000 0.224 336 I CB -2.009 35.981 38.000 -0.015 0.000 0.328 336 I HN 0.426 nan 8.210 nan 0.000 0.151 337 E N -0.943 119.259 120.200 0.002 0.000 3.642 337 E HA -0.321 4.029 4.350 -0.001 0.000 0.245 337 E C 1.021 177.862 176.600 0.402 0.000 1.486 337 E CA 1.366 57.821 56.400 0.091 0.000 2.265 337 E CB -0.876 28.898 29.700 0.123 0.000 2.084 337 E HN 0.656 nan 8.360 nan 0.000 0.472 338 L N -0.988 120.538 121.223 0.506 0.000 3.381 338 L HA -0.371 3.968 4.340 -0.001 0.000 0.165 338 L C 1.101 178.084 176.870 0.187 0.000 4.445 338 L CA 2.408 57.398 54.840 0.249 0.000 0.418 338 L CB -1.091 41.048 42.059 0.133 0.000 3.540 338 L HN 0.493 nan 8.230 nan 0.000 0.512 339 N N 1.113 119.955 118.700 0.237 0.000 2.549 339 N HA 0.414 5.154 4.740 -0.001 0.000 0.267 339 N C -0.921 174.777 175.510 0.313 0.000 1.182 339 N CA 0.395 53.549 53.050 0.173 0.000 1.019 339 N CB -0.020 38.542 38.487 0.127 0.000 1.380 339 N HN 0.328 nan 8.380 nan 0.000 0.505 340 F N -0.210 119.742 119.950 0.003 0.000 2.690 340 F HA 0.124 4.651 4.527 -0.001 0.000 0.314 340 F C -0.691 175.109 175.800 0.001 0.000 1.057 340 F CA -1.061 56.938 58.000 -0.002 0.000 0.998 340 F CB 0.655 39.656 39.000 0.000 0.000 1.249 340 F HN 0.112 nan 8.300 nan 0.000 0.486 341 D N 0.562 120.784 120.400 -0.297 0.000 2.265 341 D HA -0.228 4.411 4.640 -0.001 0.000 0.165 341 D C 0.950 177.123 176.300 -0.212 0.000 1.190 341 D CA 2.286 56.073 54.000 -0.355 0.000 1.121 341 D CB -1.165 39.243 40.800 -0.654 0.000 1.158 341 D HN 0.923 nan 8.370 nan 0.000 0.481 342 A N 0.380 123.099 122.820 -0.168 0.000 2.134 342 A HA 0.423 4.743 4.320 -0.001 0.000 0.223 342 A C 0.948 178.510 177.584 -0.037 0.000 1.738 342 A CA 0.905 52.891 52.037 -0.085 0.000 0.722 342 A CB -0.314 18.650 19.000 -0.061 0.000 1.346 342 A HN 0.495 nan 8.150 nan 0.000 0.557 343 V N -0.544 119.367 119.914 -0.004 0.000 2.530 343 V HA 0.597 4.717 4.120 -0.001 0.000 0.282 343 V C -0.490 175.603 176.094 -0.000 0.000 1.048 343 V CA 0.008 62.312 62.300 0.006 0.000 0.997 343 V CB 0.486 32.324 31.823 0.024 0.000 0.987 343 V HN 0.607 nan 8.190 nan 0.000 0.477 344 K N 1.029 121.420 120.400 -0.014 0.000 3.429 344 K HA 0.599 4.919 4.320 -0.001 0.000 0.166 344 K C -1.233 175.346 176.600 -0.035 0.000 1.079 344 K CA -0.456 55.813 56.287 -0.029 0.000 0.750 344 K CB 0.593 33.075 32.500 -0.031 0.000 0.883 344 K HN 0.693 nan 8.250 nan 0.000 0.549 345 D N 0.808 121.196 120.400 -0.019 0.000 2.931 345 D HA 0.446 5.086 4.640 -0.001 0.000 0.215 345 D C -1.999 174.336 176.300 0.059 0.000 1.297 345 D CA -0.292 53.705 54.000 -0.005 0.000 0.892 345 D CB 1.477 42.268 40.800 -0.015 0.000 1.642 345 D HN 0.261 nan 8.370 nan 0.000 0.560 346 F N 3.110 122.967 119.950 -0.155 0.000 2.613 346 F HA 0.616 5.143 4.527 -0.001 0.000 0.314 346 F C -0.524 175.198 175.800 -0.130 0.000 1.075 346 F CA -0.555 57.334 58.000 -0.185 0.000 0.945 346 F CB 1.351 40.193 39.000 -0.265 0.000 1.310 346 F HN 0.257 nan 8.300 nan 0.000 0.467 347 K N 2.562 122.232 120.400 -1.218 0.000 2.071 347 K HA 0.611 4.931 4.320 -0.001 0.000 0.308 347 K C -1.997 173.863 176.600 -1.234 0.000 0.953 347 K CA -0.357 55.417 56.287 -0.856 0.000 0.746 347 K CB 0.448 32.687 32.500 -0.435 0.000 3.469 347 K HN 0.680 nan 8.250 nan 0.000 1.213 348 L N 1.106 121.950 121.223 -0.632 0.000 2.929 348 L HA 0.387 4.727 4.340 -0.001 0.000 0.246 348 L C -0.030 176.796 176.870 -0.073 0.000 0.960 348 L CA 0.254 54.900 54.840 -0.322 0.000 1.056 348 L CB 1.165 43.138 42.059 -0.144 0.000 1.437 348 L HN 0.853 nan 8.230 nan 0.000 0.514 349 G N 2.674 111.472 108.800 -0.003 0.000 2.961 349 G HA2 0.164 4.123 3.960 -0.001 0.000 0.150 349 G HA3 0.164 4.123 3.960 -0.001 0.000 0.150 349 G C -0.213 174.752 174.900 0.109 0.000 1.864 349 G CA -0.271 44.856 45.100 0.045 0.000 0.992 349 G HN 0.459 nan 8.290 nan 0.000 0.458 350 K N -0.189 120.263 120.400 0.087 0.000 2.098 350 K HA 0.548 4.867 4.320 -0.001 0.000 0.258 350 K C -0.923 175.756 176.600 0.132 0.000 0.973 350 K CA -0.318 55.981 56.287 0.019 0.000 0.898 350 K CB 1.673 34.149 32.500 -0.039 0.000 1.057 350 K HN 0.453 nan 8.250 nan 0.000 0.447 351 F N -1.717 118.256 119.950 0.038 0.000 2.824 351 F HA 0.523 5.050 4.527 -0.000 0.000 0.330 351 F C -1.020 174.811 175.800 0.050 0.000 1.175 351 F CA -1.321 56.705 58.000 0.044 0.000 0.974 351 F CB 0.964 40.007 39.000 0.072 0.000 1.430 351 F HN 0.199 nan 8.300 nan 0.000 0.507 352 N N 0.059 118.988 118.700 0.381 0.000 2.321 352 N HA 0.295 5.034 4.740 -0.001 0.000 0.299 352 N C -2.243 173.544 175.510 0.460 0.000 1.048 352 N CA -0.373 52.830 53.050 0.255 0.000 0.836 352 N CB 2.264 40.813 38.487 0.105 0.000 1.269 352 N HN 0.787 nan 8.380 nan 0.000 0.486 353 Y N 1.553 121.980 120.300 0.211 0.000 2.361 353 Y HA 0.487 5.037 4.550 -0.001 0.000 0.337 353 Y C -0.930 175.028 175.900 0.098 0.000 0.965 353 Y CA -0.904 57.320 58.100 0.208 0.000 1.091 353 Y CB 0.993 39.630 38.460 0.294 0.000 1.182 353 Y HN 0.268 nan 8.280 nan 0.000 0.450 354 V N 2.875 122.590 119.914 -0.333 0.000 2.531 354 V HA 0.981 5.101 4.120 -0.001 0.000 0.301 354 V C -0.737 175.007 176.094 -0.584 0.000 1.034 354 V CA -0.732 61.339 62.300 -0.381 0.000 0.865 354 V CB 1.074 32.812 31.823 -0.140 0.000 0.995 354 V HN 1.085 nan 8.190 nan 0.000 0.424 355 A N 4.704 127.177 122.820 -0.578 0.000 2.273 355 A HA 0.874 5.193 4.320 -0.001 0.000 0.315 355 A C -0.513 176.934 177.584 -0.229 0.000 1.256 355 A CA -0.592 51.186 52.037 -0.432 0.000 0.851 355 A CB 1.256 19.996 19.000 -0.434 0.000 1.172 355 A HN 1.195 nan 8.150 nan 0.000 0.508 356 V N 2.228 122.038 119.914 -0.173 0.000 2.667 356 V HA 0.894 5.014 4.120 -0.001 0.000 0.308 356 V C 0.943 176.986 176.094 -0.085 0.000 1.048 356 V CA 0.688 62.903 62.300 -0.142 0.000 0.928 356 V CB 0.956 32.639 31.823 -0.233 0.000 1.004 356 V HN 2.042 nan 8.190 nan 0.000 0.444 357 G N 3.340 112.152 108.800 0.020 0.000 2.501 357 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.213 357 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.213 357 G C -0.356 174.592 174.900 0.080 0.000 1.158 357 G CA 0.023 45.193 45.100 0.116 0.000 1.079 357 G HN 0.780 nan 8.290 nan 0.000 0.586 358 D N 1.328 121.762 120.400 0.056 0.000 2.482 358 D HA 0.352 4.991 4.640 -0.001 0.000 0.244 358 D C 1.861 178.168 176.300 0.011 0.000 1.242 358 D CA 0.657 54.679 54.000 0.036 0.000 1.097 358 D CB 0.427 41.248 40.800 0.035 0.000 1.109 358 D HN 0.370 nan 8.370 nan 0.000 0.510 359 V N 2.441 122.354 119.914 -0.002 0.000 2.343 359 V HA -0.224 3.895 4.120 -0.001 0.000 0.247 359 V C 2.508 178.578 176.094 -0.040 0.000 1.051 359 V CA 1.642 63.913 62.300 -0.050 0.000 1.036 359 V CB -0.444 31.349 31.823 -0.050 0.000 0.654 359 V HN 0.475 nan 8.190 nan 0.000 0.451 360 S N 0.027 115.735 115.700 0.013 0.000 2.383 360 S HA -0.166 4.303 4.470 -0.001 0.000 0.229 360 S C 1.351 175.990 174.600 0.065 0.000 1.030 360 S CA 1.763 59.994 58.200 0.052 0.000 1.002 360 S CB -0.452 62.781 63.200 0.055 0.000 0.829 360 S HN 0.782 nan 8.310 nan 0.000 0.467 361 N N 0.163 118.890 118.700 0.046 0.000 2.380 361 N HA 0.285 5.025 4.740 -0.001 0.000 0.255 361 N C -1.266 174.275 175.510 0.051 0.000 1.158 361 N CA -0.222 52.861 53.050 0.055 0.000 0.878 361 N CB 0.616 39.131 38.487 0.046 0.000 1.138 361 N HN 0.152 nan 8.380 nan 0.000 0.509 362 L N 0.648 121.891 121.223 0.034 0.000 2.362 362 L HA 0.570 4.910 4.340 -0.001 0.000 0.271 362 L C -2.295 174.603 176.870 0.047 0.000 1.002 362 L CA -2.167 52.695 54.840 0.036 0.000 0.818 362 L CB 1.688 43.744 42.059 -0.005 0.000 1.298 362 L HN -0.108 nan 8.230 nan 0.000 0.420 363 P HA 0.133 nan 4.420 nan 0.000 0.271 363 P C -1.396 176.037 177.300 0.221 0.000 1.238 363 P CA 0.262 63.480 63.100 0.198 0.000 0.794 363 P CB 0.338 32.129 31.700 0.152 0.000 0.959 364 Y N -0.928 119.468 120.300 0.159 0.000 2.654 364 Y HA 0.301 4.851 4.550 -0.001 0.000 0.327 364 Y C 1.235 177.096 175.900 -0.066 0.000 1.122 364 Y CA -0.793 57.427 58.100 0.201 0.000 1.227 364 Y CB 0.446 38.975 38.460 0.114 0.000 1.370 364 Y HN 0.094 nan 8.280 nan 0.000 0.528 365 L N 0.880 122.199 121.223 0.160 0.000 2.395 365 L HA -0.042 4.298 4.340 -0.001 0.000 0.218 365 L C 1.088 177.938 176.870 -0.033 0.000 1.130 365 L CA 1.538 56.334 54.840 -0.073 0.000 0.826 365 L CB -0.768 41.301 42.059 0.018 0.000 0.941 365 L HN 0.640 nan 8.230 nan 0.000 0.451 366 D N -0.152 120.277 120.400 0.048 0.000 2.092 366 D HA -0.199 4.441 4.640 -0.001 0.000 0.193 366 D C 1.809 178.106 176.300 -0.004 0.000 0.994 366 D CA 1.745 55.749 54.000 0.006 0.000 0.828 366 D CB -0.011 40.782 40.800 -0.012 0.000 0.963 366 D HN 0.600 nan 8.370 nan 0.000 0.450 367 E N 1.004 121.214 120.200 0.017 0.000 2.408 367 E HA 0.013 4.362 4.350 -0.001 0.000 0.289 367 E C 1.173 177.772 176.600 -0.001 0.000 0.770 367 E CA -0.207 56.200 56.400 0.012 0.000 1.717 367 E CB -0.600 29.122 29.700 0.036 0.000 1.271 367 E HN 0.109 nan 8.360 nan 0.000 0.567 368 L N 0.000 121.218 121.223 -0.008 0.000 2.949 368 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 368 L CA 0.000 54.845 54.840 0.009 0.000 0.813 368 L CB 0.000 42.076 42.059 0.028 0.000 0.961 368 L HN 0.000 nan 8.230 nan 0.000 0.502