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 1iqr_1_A DATA FIRST_RESID 2 DATA SEQUENCE GPLLVWHRGD LRLHDHPALL EALARGPVVG LVVLDPNNLK TTPRRRAWFL DATA SEQUENCE ENVRALREAY RARGGALWVL EGLPWEKVPE AARRLKAKAV YALTSHTPYG DATA SEQUENCE RYRDGRVREA LPVPLHLLPA PHLLPPDLPR AYRVYTPFSR LYRGAAPPLP DATA SEQUENCE PPEALPKGPE EGEIPREDPG LPLPEPGEEA ALAGLRAFLE AKLPRYAEER DATA SEQUENCE DRLDGEGGSR LSPYFALGVL SPRLAAWEAE RRGGEGARKW VAELLWRDFS DATA SEQUENCE YHLLYHFPWM AERPLDPRFQ AFPWQEDEAL FQAWYEGKTG VPLVDAAMRE DATA SEQUENCE LHATGFLSNR ARMNAAQFAV KHLLLPWKRC EEAFRHLLLD GDRAVNLQGW DATA SEQUENCE QWAGGLGVDA APYFRVFNPV LQGERHDPEG RWLKRWAPEY PSYAPKDPVV DATA SEQUENCE DLEEARRRYL RLARD 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 2 G C 0.000 174.902 174.900 0.003 0.000 0.946 2 G CA 0.000 45.101 45.100 0.001 0.000 0.502 3 P HA 0.631 nan 4.420 nan 0.000 0.281 3 P C -0.596 176.709 177.300 0.008 0.000 1.281 3 P CA -0.638 62.458 63.100 -0.007 0.000 0.811 3 P CB 1.702 33.385 31.700 -0.027 0.000 1.154 4 L N 0.285 121.524 121.223 0.026 0.000 2.329 4 L HA 0.453 4.792 4.340 -0.001 0.000 0.279 4 L C 0.289 177.197 176.870 0.063 0.000 1.014 4 L CA -0.954 53.941 54.840 0.091 0.000 0.814 4 L CB 1.411 43.541 42.059 0.118 0.000 1.257 4 L HN 0.210 nan 8.230 nan 0.000 0.424 5 L N 3.585 124.859 121.223 0.084 0.000 2.275 5 L HA 0.424 4.764 4.340 -0.001 0.000 0.288 5 L C -0.594 176.364 176.870 0.148 0.000 1.046 5 L CA -0.640 54.223 54.840 0.038 0.000 0.805 5 L CB 1.813 43.846 42.059 -0.044 0.000 1.193 5 L HN 0.301 nan 8.230 nan 0.000 0.426 6 V N 3.196 123.179 119.914 0.115 0.000 2.328 6 V HA 0.161 4.280 4.120 -0.001 0.000 0.278 6 V C -0.652 175.526 176.094 0.141 0.000 1.021 6 V CA -0.500 61.861 62.300 0.102 0.000 0.838 6 V CB 1.191 33.009 31.823 -0.010 0.000 0.999 6 V HN 0.616 nan 8.190 nan 0.000 0.447 7 W N 6.714 127.994 121.300 -0.033 0.000 2.342 7 W HA 0.423 5.083 4.660 -0.001 0.000 0.310 7 W C 0.078 176.599 176.519 0.003 0.000 1.128 7 W CA -0.879 56.471 57.345 0.009 0.000 1.322 7 W CB 0.020 29.496 29.460 0.026 0.000 1.251 7 W HN 0.573 nan 8.180 nan 0.000 0.439 8 H N 6.393 125.631 119.070 0.279 0.000 2.527 8 H HA 0.299 4.854 4.556 -0.001 0.000 0.321 8 H C 0.106 175.457 175.328 0.038 0.000 1.087 8 H CA 0.014 56.147 56.048 0.142 0.000 1.337 8 H CB 1.688 31.548 29.762 0.162 0.000 1.440 8 H HN 0.340 nan 8.280 nan 0.000 0.490 9 R N 1.258 121.789 120.500 0.051 0.000 2.400 9 R HA 0.240 4.579 4.340 -0.001 0.000 0.112 9 R C 1.194 177.596 176.300 0.170 0.000 1.488 9 R CA 0.016 56.133 56.100 0.029 0.000 1.275 9 R CB -0.456 29.711 30.300 -0.222 0.000 1.084 9 R HN 0.625 nan 8.270 nan 0.000 0.426 10 G N 1.837 110.698 108.800 0.102 0.000 3.455 10 G HA2 0.111 4.071 3.960 -0.001 0.000 0.250 10 G HA3 0.111 4.071 3.960 -0.001 0.000 0.250 10 G C -0.763 174.212 174.900 0.125 0.000 1.071 10 G CA 0.085 45.272 45.100 0.145 0.000 1.812 10 G HN 0.567 nan 8.290 nan 0.000 0.643 11 D N 0.301 120.809 120.400 0.180 0.000 3.220 11 D HA -0.021 4.619 4.640 -0.001 0.000 0.309 11 D C 0.171 176.685 176.300 0.357 0.000 1.276 11 D CA -0.434 53.693 54.000 0.211 0.000 0.736 11 D CB -0.439 40.432 40.800 0.119 0.000 1.304 11 D HN 0.177 nan 8.370 nan 0.000 0.582 12 L N 2.021 123.363 121.223 0.199 0.000 2.376 12 L HA 0.259 4.599 4.340 -0.001 0.000 0.250 12 L C 0.582 177.502 176.870 0.084 0.000 1.335 12 L CA 0.248 55.131 54.840 0.073 0.000 1.214 12 L CB -0.737 41.282 42.059 -0.068 0.000 1.395 12 L HN 0.237 nan 8.230 nan 0.000 0.424 13 R N 0.504 121.123 120.500 0.198 0.000 2.728 13 R HA 0.503 4.842 4.340 -0.001 0.000 0.274 13 R C -0.556 175.902 176.300 0.263 0.000 1.030 13 R CA -1.027 55.191 56.100 0.198 0.000 0.876 13 R CB 1.103 31.526 30.300 0.205 0.000 1.259 13 R HN 0.069 nan 8.270 nan 0.000 0.468 14 L N -0.525 120.819 121.223 0.201 0.000 2.575 14 L HA 0.318 4.658 4.340 -0.001 0.000 0.228 14 L C 0.471 177.404 176.870 0.104 0.000 1.075 14 L CA -0.209 54.692 54.840 0.102 0.000 0.867 14 L CB 0.097 42.130 42.059 -0.044 0.000 1.097 14 L HN 0.515 nan 8.230 nan 0.000 0.485 15 H N 1.147 120.258 119.070 0.069 0.000 2.652 15 H HA -0.027 4.528 4.556 -0.001 0.000 0.349 15 H C -0.222 175.152 175.328 0.077 0.000 1.099 15 H CA -0.173 55.906 56.048 0.052 0.000 1.417 15 H CB 1.024 30.808 29.762 0.037 0.000 1.457 15 H HN -0.010 nan 8.280 nan 0.000 0.568 16 D N 1.842 122.324 120.400 0.137 0.000 2.802 16 D HA -0.239 4.400 4.640 -0.001 0.000 0.229 16 D C -0.836 175.512 176.300 0.080 0.000 1.203 16 D CA 0.811 54.857 54.000 0.076 0.000 0.712 16 D CB -1.204 39.636 40.800 0.067 0.000 0.973 16 D HN 0.479 nan 8.370 nan 0.000 0.407 17 H N 0.310 119.389 119.070 0.015 0.000 2.866 17 H HA 0.295 4.850 4.556 -0.001 0.000 0.287 17 H C -1.980 173.336 175.328 -0.020 0.000 1.106 17 H CA -1.907 54.149 56.048 0.014 0.000 1.396 17 H CB 1.506 31.297 29.762 0.047 0.000 1.469 17 H HN 0.063 nan 8.280 nan 0.000 0.500 18 P HA -0.137 nan 4.420 nan 0.000 0.216 18 P C 1.284 178.644 177.300 0.100 0.000 1.153 18 P CA 1.960 65.086 63.100 0.043 0.000 0.858 18 P CB 0.316 32.012 31.700 -0.008 0.000 0.789 19 A N -0.907 122.039 122.820 0.210 0.000 1.930 19 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 19 A C 2.124 179.737 177.584 0.048 0.000 1.175 19 A CA 1.377 53.528 52.037 0.190 0.000 0.627 19 A CB -1.598 17.556 19.000 0.258 0.000 0.815 19 A HN 0.159 nan 8.150 nan 0.000 0.443 20 L N -0.208 121.049 121.223 0.057 0.000 1.994 20 L HA -0.083 4.256 4.340 -0.001 0.000 0.208 20 L C 2.244 179.043 176.870 -0.118 0.000 1.071 20 L CA 1.748 56.510 54.840 -0.130 0.000 0.745 20 L CB -0.459 41.470 42.059 -0.218 0.000 0.892 20 L HN 0.383 nan 8.230 nan 0.000 0.431 21 L N -0.714 120.469 121.223 -0.067 0.000 2.141 21 L HA -0.160 4.179 4.340 -0.001 0.000 0.209 21 L C 2.543 179.327 176.870 -0.144 0.000 1.094 21 L CA 1.268 56.051 54.840 -0.095 0.000 0.763 21 L CB -0.533 41.490 42.059 -0.060 0.000 0.908 21 L HN 0.368 nan 8.230 nan 0.000 0.437 22 E N 0.595 120.697 120.200 -0.164 0.000 2.077 22 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 22 E C 2.102 178.409 176.600 -0.489 0.000 0.989 22 E CA 1.541 57.797 56.400 -0.240 0.000 0.800 22 E CB 0.006 29.616 29.700 -0.150 0.000 0.746 22 E HN 0.382 nan 8.360 nan 0.000 0.452 23 A N 0.316 122.729 122.820 -0.678 0.000 1.872 23 A HA -0.041 4.278 4.320 -0.001 0.000 0.214 23 A C 2.290 179.676 177.584 -0.330 0.000 1.187 23 A CA 0.968 52.545 52.037 -0.766 0.000 0.614 23 A CB -0.716 17.896 19.000 -0.648 0.000 0.826 23 A HN 0.344 nan 8.150 nan 0.000 0.442 24 L N -0.518 120.569 121.223 -0.227 0.000 2.079 24 L HA -0.249 4.091 4.340 -0.001 0.000 0.210 24 L C 2.981 179.778 176.870 -0.121 0.000 1.081 24 L CA 1.170 55.926 54.840 -0.141 0.000 0.752 24 L CB -0.381 41.606 42.059 -0.120 0.000 0.896 24 L HN 0.474 nan 8.230 nan 0.000 0.433 25 A N -0.368 122.371 122.820 -0.135 0.000 2.070 25 A HA -0.180 4.139 4.320 -0.001 0.000 0.220 25 A C 2.249 179.781 177.584 -0.087 0.000 1.159 25 A CA 1.278 53.254 52.037 -0.101 0.000 0.656 25 A CB -0.344 18.597 19.000 -0.098 0.000 0.800 25 A HN 0.406 nan 8.150 nan 0.000 0.453 26 R N -1.596 118.840 120.500 -0.107 0.000 2.223 26 R HA 0.326 4.666 4.340 -0.001 0.000 0.198 26 R C 0.937 177.212 176.300 -0.041 0.000 0.984 26 R CA 0.587 56.649 56.100 -0.064 0.000 1.018 26 R CB 0.275 30.545 30.300 -0.051 0.000 0.945 26 R HN 0.522 nan 8.270 nan 0.000 0.479 27 G N 0.604 109.373 108.800 -0.053 0.000 2.317 27 G HA2 0.079 4.039 3.960 -0.001 0.000 0.293 27 G HA3 0.079 4.039 3.960 -0.001 0.000 0.293 27 G C -3.010 171.870 174.900 -0.033 0.000 1.287 27 G CA -1.082 43.999 45.100 -0.031 0.000 0.850 27 G HN -0.224 nan 8.290 nan 0.000 0.515 28 P HA 0.426 nan 4.420 nan 0.000 0.269 28 P C 0.057 177.353 177.300 -0.007 0.000 1.209 28 P CA 0.121 63.215 63.100 -0.010 0.000 0.776 28 P CB 1.457 33.158 31.700 0.001 0.000 0.876 29 V N 0.495 120.411 119.914 0.004 0.000 3.074 29 V HA 0.764 4.884 4.120 -0.001 0.000 0.314 29 V C -0.789 175.339 176.094 0.058 0.000 1.117 29 V CA -0.985 61.327 62.300 0.019 0.000 1.014 29 V CB 2.206 34.037 31.823 0.014 0.000 1.057 29 V HN 0.283 nan 8.190 nan 0.000 0.438 30 V N 1.455 121.394 119.914 0.041 0.000 2.686 30 V HA 0.808 4.928 4.120 -0.001 0.000 0.306 30 V C 0.725 176.844 176.094 0.041 0.000 1.065 30 V CA 0.239 62.557 62.300 0.029 0.000 0.894 30 V CB 1.644 33.374 31.823 -0.154 0.000 1.004 30 V HN 1.379 nan 8.190 nan 0.000 0.424 31 G N 2.666 111.517 108.800 0.084 0.000 2.476 31 G HA2 0.662 4.621 3.960 -0.001 0.000 0.286 31 G HA3 0.662 4.621 3.960 -0.001 0.000 0.286 31 G C -1.332 173.566 174.900 -0.004 0.000 1.177 31 G CA -0.336 44.792 45.100 0.048 0.000 0.870 31 G HN 0.709 nan 8.290 nan 0.000 0.528 32 L N 0.960 122.270 121.223 0.145 0.000 2.482 32 L HA 0.707 5.047 4.340 -0.001 0.000 0.263 32 L C -1.182 175.872 176.870 0.306 0.000 0.957 32 L CA -0.606 54.325 54.840 0.151 0.000 0.836 32 L CB 2.405 44.481 42.059 0.029 0.000 1.324 32 L HN 0.402 nan 8.230 nan 0.000 0.406 33 V N 4.890 124.944 119.914 0.233 0.000 2.656 33 V HA 0.656 4.775 4.120 -0.001 0.000 0.307 33 V C -0.863 175.381 176.094 0.250 0.000 1.051 33 V CA -0.645 61.835 62.300 0.301 0.000 0.893 33 V CB 2.268 34.190 31.823 0.166 0.000 0.999 33 V HN 0.536 nan 8.190 nan 0.000 0.426 34 V N 5.857 125.972 119.914 0.336 0.000 2.409 34 V HA 0.417 4.536 4.120 -0.001 0.000 0.291 34 V C -0.099 176.139 176.094 0.241 0.000 1.020 34 V CA -0.554 61.873 62.300 0.210 0.000 0.848 34 V CB 1.714 33.617 31.823 0.134 0.000 0.990 34 V HN 0.648 nan 8.190 nan 0.000 0.430 35 L N 4.536 125.864 121.223 0.176 0.000 2.454 35 L HA 0.309 4.648 4.340 -0.001 0.000 0.284 35 L C 0.216 177.133 176.870 0.079 0.000 1.139 35 L CA 0.033 54.979 54.840 0.177 0.000 0.911 35 L CB 0.085 42.233 42.059 0.149 0.000 1.262 35 L HN 0.585 nan 8.230 nan 0.000 0.453 36 D N 6.246 126.684 120.400 0.064 0.000 2.277 36 D HA 0.155 4.795 4.640 -0.001 0.000 0.249 36 D C -1.337 174.945 176.300 -0.030 0.000 1.134 36 D CA -2.045 51.968 54.000 0.022 0.000 0.863 36 D CB 1.951 42.813 40.800 0.103 0.000 1.143 36 D HN 0.206 nan 8.370 nan 0.000 0.458 37 P HA -0.127 nan 4.420 nan 0.000 0.218 37 P C 0.814 178.067 177.300 -0.079 0.000 1.149 37 P CA 0.674 63.746 63.100 -0.047 0.000 0.817 37 P CB 0.483 32.163 31.700 -0.033 0.000 0.785 38 N N -0.176 118.461 118.700 -0.104 0.000 2.364 38 N HA -0.092 4.647 4.740 -0.001 0.000 0.183 38 N C 1.318 176.678 175.510 -0.250 0.000 1.022 38 N CA 0.903 53.813 53.050 -0.232 0.000 0.883 38 N CB -0.250 37.939 38.487 -0.497 0.000 0.965 38 N HN 0.290 nan 8.380 nan 0.000 0.438 39 N N 0.136 118.724 118.700 -0.187 0.000 2.510 39 N HA 0.138 4.878 4.740 -0.001 0.000 0.186 39 N C 1.703 177.102 175.510 -0.185 0.000 1.051 39 N CA 0.068 53.000 53.050 -0.196 0.000 0.877 39 N CB 0.160 38.497 38.487 -0.250 0.000 1.183 39 N HN 0.169 nan 8.380 nan 0.000 0.443 40 L N 0.879 122.010 121.223 -0.153 0.000 2.418 40 L HA 0.100 4.439 4.340 -0.001 0.000 0.218 40 L C 0.669 177.503 176.870 -0.060 0.000 1.125 40 L CA 0.530 55.313 54.840 -0.095 0.000 0.835 40 L CB -0.036 41.999 42.059 -0.040 0.000 0.953 40 L HN -0.122 nan 8.230 nan 0.000 0.454 41 K N 0.850 121.208 120.400 -0.070 0.000 2.715 41 K HA 0.059 4.378 4.320 -0.001 0.000 0.248 41 K C 0.266 176.813 176.600 -0.088 0.000 1.276 41 K CA -0.020 56.230 56.287 -0.063 0.000 1.209 41 K CB -0.027 32.438 32.500 -0.057 0.000 1.509 41 K HN 0.082 nan 8.250 nan 0.000 0.261 42 T N -1.052 113.448 114.554 -0.089 0.000 2.604 42 T HA 0.212 4.562 4.350 -0.001 0.000 0.267 42 T C -0.320 174.311 174.700 -0.114 0.000 0.923 42 T CA -0.538 61.475 62.100 -0.145 0.000 1.077 42 T CB 0.955 69.754 68.868 -0.115 0.000 1.392 42 T HN 0.379 nan 8.240 nan 0.000 0.531 43 T N 1.114 115.593 114.554 -0.125 0.000 2.918 43 T HA 0.310 4.660 4.350 -0.001 0.000 0.302 43 T C -1.891 172.810 174.700 0.001 0.000 1.045 43 T CA -0.961 61.107 62.100 -0.055 0.000 1.114 43 T CB 0.462 69.311 68.868 -0.032 0.000 0.965 43 T HN 0.304 nan 8.240 nan 0.000 0.540 44 P HA -0.205 nan 4.420 nan 0.000 0.216 44 P C 1.784 179.122 177.300 0.063 0.000 1.153 44 P CA 1.414 64.537 63.100 0.039 0.000 0.858 44 P CB -0.032 31.688 31.700 0.034 0.000 0.789 45 R N 0.068 120.599 120.500 0.051 0.000 2.091 45 R HA -0.093 4.247 4.340 -0.001 0.000 0.238 45 R C 2.076 178.450 176.300 0.123 0.000 1.136 45 R CA 1.457 57.594 56.100 0.061 0.000 0.959 45 R CB -0.860 29.446 30.300 0.009 0.000 0.856 45 R HN 0.157 nan 8.270 nan 0.000 0.437 46 R N 0.280 120.851 120.500 0.118 0.000 2.090 46 R HA 0.007 4.346 4.340 -0.001 0.000 0.228 46 R C 2.546 178.987 176.300 0.235 0.000 1.110 46 R CA 1.296 57.511 56.100 0.192 0.000 0.973 46 R CB -0.318 30.062 30.300 0.134 0.000 0.869 46 R HN 0.270 nan 8.270 nan 0.000 0.440 47 R N 0.999 121.594 120.500 0.158 0.000 2.081 47 R HA -0.101 4.239 4.340 -0.001 0.000 0.235 47 R C 2.165 178.597 176.300 0.220 0.000 1.131 47 R CA 1.581 57.782 56.100 0.167 0.000 0.960 47 R CB -0.225 30.132 30.300 0.096 0.000 0.856 47 R HN 0.208 nan 8.270 nan 0.000 0.436 48 A N 0.694 123.626 122.820 0.187 0.000 1.902 48 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 48 A C 2.087 179.814 177.584 0.239 0.000 1.181 48 A CA 1.225 53.367 52.037 0.176 0.000 0.623 48 A CB -1.294 17.794 19.000 0.148 0.000 0.818 48 A HN 0.754 nan 8.150 nan 0.000 0.443 49 W N -0.492 120.849 121.300 0.068 0.000 2.338 49 W HA -0.271 4.388 4.660 -0.001 0.000 0.304 49 W C 1.903 178.469 176.519 0.079 0.000 1.212 49 W CA 1.735 59.109 57.345 0.049 0.000 1.264 49 W CB -0.296 29.191 29.460 0.045 0.000 1.142 49 W HN 0.402 nan 8.180 nan 0.000 0.512 50 F N 1.260 121.200 119.950 -0.016 0.000 2.051 50 F HA -0.213 4.314 4.527 -0.000 0.000 0.296 50 F C 2.359 178.080 175.800 -0.132 0.000 1.122 50 F CA 2.244 60.165 58.000 -0.132 0.000 1.201 50 F CB -1.069 37.926 39.000 -0.008 0.000 0.978 50 F HN -0.265 nan 8.300 nan 0.000 0.472 51 L N 0.108 121.286 121.223 -0.074 0.000 2.043 51 L HA -0.231 4.108 4.340 -0.001 0.000 0.212 51 L C 2.456 179.199 176.870 -0.212 0.000 1.075 51 L CA 1.430 56.181 54.840 -0.148 0.000 0.752 51 L CB -0.781 41.295 42.059 0.028 0.000 0.891 51 L HN 0.148 nan 8.230 nan 0.000 0.432 52 E N -0.274 119.829 120.200 -0.162 0.000 2.208 52 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 52 E C 1.838 178.275 176.600 -0.272 0.000 0.988 52 E CA 0.670 56.980 56.400 -0.150 0.000 0.828 52 E CB -0.307 29.373 29.700 -0.032 0.000 0.763 52 E HN 0.504 nan 8.360 nan 0.000 0.478 53 N N 0.344 118.763 118.700 -0.468 0.000 2.354 53 N HA -0.061 4.678 4.740 -0.001 0.000 0.179 53 N C 1.819 177.091 175.510 -0.397 0.000 1.021 53 N CA 0.374 53.131 53.050 -0.488 0.000 0.887 53 N CB 0.366 38.436 38.487 -0.696 0.000 0.974 53 N HN 0.007 nan 8.380 nan 0.000 0.437 54 V N 1.314 120.940 119.914 -0.480 0.000 2.453 54 V HA -0.128 3.991 4.120 -0.001 0.000 0.247 54 V C 2.529 178.479 176.094 -0.240 0.000 1.048 54 V CA 1.216 63.274 62.300 -0.403 0.000 1.049 54 V CB -0.359 31.177 31.823 -0.480 0.000 0.672 54 V HN 0.239 nan 8.190 nan 0.000 0.457 55 R N 0.422 120.802 120.500 -0.200 0.000 2.096 55 R HA -0.141 4.199 4.340 -0.001 0.000 0.235 55 R C 2.235 178.476 176.300 -0.098 0.000 1.127 55 R CA 1.643 57.669 56.100 -0.122 0.000 0.968 55 R CB -0.397 29.848 30.300 -0.091 0.000 0.861 55 R HN 0.471 nan 8.270 nan 0.000 0.440 56 A N 0.927 123.679 122.820 -0.112 0.000 1.930 56 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 56 A C 2.003 179.557 177.584 -0.050 0.000 1.175 56 A CA 1.063 53.057 52.037 -0.071 0.000 0.627 56 A CB -0.494 18.459 19.000 -0.079 0.000 0.815 56 A HN 0.387 nan 8.150 nan 0.000 0.443 57 L N -0.077 121.095 121.223 -0.086 0.000 2.056 57 L HA -0.094 4.245 4.340 -0.001 0.000 0.207 57 L C 2.448 179.340 176.870 0.036 0.000 1.078 57 L CA 2.332 57.148 54.840 -0.041 0.000 0.749 57 L CB -0.556 41.412 42.059 -0.153 0.000 0.901 57 L HN 0.485 nan 8.230 nan 0.000 0.433 58 R N -0.751 119.721 120.500 -0.048 0.000 2.081 58 R HA -0.163 4.176 4.340 -0.001 0.000 0.235 58 R C 2.076 178.409 176.300 0.055 0.000 1.131 58 R CA 1.494 57.579 56.100 -0.026 0.000 0.960 58 R CB -0.173 30.085 30.300 -0.071 0.000 0.856 58 R HN 0.360 nan 8.270 nan 0.000 0.436 59 E N 0.462 120.676 120.200 0.023 0.000 2.118 59 E HA -0.180 4.170 4.350 -0.001 0.000 0.195 59 E C 1.868 178.501 176.600 0.054 0.000 0.992 59 E CA 1.394 57.812 56.400 0.030 0.000 0.804 59 E CB -0.306 29.399 29.700 0.009 0.000 0.741 59 E HN 0.503 nan 8.360 nan 0.000 0.458 60 A N 0.130 122.990 122.820 0.066 0.000 1.972 60 A HA -0.179 4.141 4.320 -0.001 0.000 0.219 60 A C 2.021 179.643 177.584 0.063 0.000 1.169 60 A CA 1.101 53.171 52.037 0.056 0.000 0.635 60 A CB -0.652 18.379 19.000 0.051 0.000 0.810 60 A HN 0.212 nan 8.150 nan 0.000 0.446 61 Y N -0.220 120.064 120.300 -0.027 0.000 2.163 61 Y HA -0.120 4.430 4.550 -0.000 0.000 0.288 61 Y C 2.672 178.570 175.900 -0.004 0.000 1.136 61 Y CA 1.826 59.918 58.100 -0.013 0.000 1.147 61 Y CB -0.283 38.174 38.460 -0.006 0.000 0.987 61 Y HN 0.219 nan 8.280 nan 0.000 0.509 62 R N -0.430 120.168 120.500 0.163 0.000 2.091 62 R HA -0.192 4.148 4.340 -0.001 0.000 0.238 62 R C 2.426 178.754 176.300 0.047 0.000 1.136 62 R CA 1.254 57.406 56.100 0.087 0.000 0.959 62 R CB -0.666 29.669 30.300 0.058 0.000 0.856 62 R HN 0.316 nan 8.270 nan 0.000 0.437 63 A N 0.936 123.776 122.820 0.034 0.000 2.024 63 A HA -0.154 4.165 4.320 -0.001 0.000 0.220 63 A C 1.794 179.377 177.584 -0.002 0.000 1.164 63 A CA 1.249 53.293 52.037 0.012 0.000 0.643 63 A CB -0.233 18.772 19.000 0.009 0.000 0.806 63 A HN 0.235 nan 8.150 nan 0.000 0.451 64 R N -1.838 118.654 120.500 -0.014 0.000 2.334 64 R HA 0.258 4.597 4.340 -0.001 0.000 0.216 64 R C 1.159 177.446 176.300 -0.022 0.000 0.905 64 R CA 0.503 56.579 56.100 -0.039 0.000 1.064 64 R CB 0.134 30.377 30.300 -0.096 0.000 1.046 64 R HN 0.644 nan 8.270 nan 0.000 0.508 65 G N 0.216 109.022 108.800 0.009 0.000 2.157 65 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.248 65 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.248 65 G C 0.329 175.259 174.900 0.050 0.000 0.979 65 G CA -0.098 45.017 45.100 0.024 0.000 0.650 65 G HN 0.534 nan 8.290 nan 0.000 0.529 66 G N -0.744 108.101 108.800 0.075 0.000 2.531 66 G HA2 0.848 4.807 3.960 -0.001 0.000 0.313 66 G HA3 0.848 4.807 3.960 -0.001 0.000 0.313 66 G C -0.103 174.958 174.900 0.269 0.000 1.238 66 G CA 0.120 45.315 45.100 0.159 0.000 0.994 66 G HN 1.549 nan 8.290 nan 0.000 0.493 67 A N -0.075 122.942 122.820 0.329 0.000 2.343 67 A HA 0.670 4.990 4.320 -0.001 0.000 0.316 67 A C -0.908 176.749 177.584 0.121 0.000 1.104 67 A CA -0.546 51.638 52.037 0.244 0.000 0.768 67 A CB 1.347 20.490 19.000 0.239 0.000 1.213 67 A HN 0.673 nan 8.150 nan 0.000 0.456 68 L N 3.076 124.263 121.223 -0.061 0.000 2.343 68 L HA 0.508 4.847 4.340 -0.001 0.000 0.278 68 L C -1.627 175.278 176.870 0.058 0.000 0.996 68 L CA -0.365 54.299 54.840 -0.292 0.000 0.831 68 L CB 0.981 42.639 42.059 -0.668 0.000 1.232 68 L HN 0.875 nan 8.230 nan 0.000 0.413 69 W N 4.529 125.732 121.300 -0.161 0.000 2.376 69 W HA 0.498 5.158 4.660 -0.001 0.000 0.322 69 W C -0.240 176.228 176.519 -0.085 0.000 1.160 69 W CA -0.430 56.857 57.345 -0.096 0.000 1.218 69 W CB 1.532 30.952 29.460 -0.067 0.000 1.205 69 W HN 0.108 nan 8.180 nan 0.000 0.559 70 V N 5.535 125.514 119.914 0.109 0.000 2.483 70 V HA 0.470 4.590 4.120 -0.001 0.000 0.297 70 V C -0.275 175.851 176.094 0.054 0.000 1.027 70 V CA -0.982 61.357 62.300 0.065 0.000 0.855 70 V CB 1.019 32.843 31.823 0.001 0.000 0.995 70 V HN 0.343 nan 8.190 nan 0.000 0.424 71 L N 3.367 124.637 121.223 0.079 0.000 2.341 71 L HA 0.695 5.034 4.340 -0.001 0.000 0.267 71 L C -0.303 176.588 176.870 0.034 0.000 1.009 71 L CA -0.612 54.257 54.840 0.047 0.000 0.819 71 L CB 2.673 44.769 42.059 0.062 0.000 1.323 71 L HN 0.592 nan 8.230 nan 0.000 0.425 72 E N 0.286 120.491 120.200 0.008 0.000 2.199 72 E HA 0.680 5.029 4.350 -0.001 0.000 0.269 72 E C -0.427 176.154 176.600 -0.031 0.000 0.899 72 E CA -0.201 56.201 56.400 0.003 0.000 0.772 72 E CB 2.112 31.814 29.700 0.003 0.000 1.155 72 E HN 0.765 nan 8.360 nan 0.000 0.408 73 G N 2.173 110.943 108.800 -0.050 0.000 2.325 73 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.285 73 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.285 73 G C -1.330 173.454 174.900 -0.194 0.000 1.303 73 G CA -1.035 44.002 45.100 -0.105 0.000 0.970 73 G HN 0.482 nan 8.290 nan 0.000 0.490 74 L N 1.461 122.483 121.223 -0.334 0.000 2.360 74 L HA 0.251 4.590 4.340 -0.001 0.000 0.276 74 L C -1.179 175.259 176.870 -0.719 0.000 1.121 74 L CA -1.476 52.940 54.840 -0.707 0.000 0.845 74 L CB 1.398 42.831 42.059 -1.042 0.000 1.143 74 L HN 0.343 nan 8.230 nan 0.000 0.452 75 P HA -0.204 nan 4.420 nan 0.000 0.216 75 P C 0.991 178.144 177.300 -0.245 0.000 1.154 75 P CA 1.615 64.543 63.100 -0.286 0.000 0.865 75 P CB -0.001 31.759 31.700 0.100 0.000 0.789 76 W N -0.489 120.784 121.300 -0.045 0.000 2.961 76 W HA 0.107 4.766 4.660 -0.001 0.000 0.240 76 W C 1.324 177.800 176.519 -0.072 0.000 1.305 76 W CA 0.265 57.563 57.345 -0.078 0.000 1.465 76 W CB -1.096 28.327 29.460 -0.062 0.000 1.135 76 W HN 0.059 nan 8.180 nan 0.000 0.688 77 E N 0.436 120.529 120.200 -0.177 0.000 2.306 77 E HA -0.038 4.311 4.350 -0.001 0.000 0.201 77 E C 2.102 178.627 176.600 -0.126 0.000 0.874 77 E CA 0.099 56.436 56.400 -0.106 0.000 0.972 77 E CB 0.065 29.687 29.700 -0.130 0.000 0.957 77 E HN -0.020 nan 8.360 nan 0.000 0.492 78 K N 0.975 121.263 120.400 -0.186 0.000 2.116 78 K HA 0.005 4.325 4.320 -0.001 0.000 0.203 78 K C 2.196 178.673 176.600 -0.204 0.000 1.052 78 K CA 0.588 56.781 56.287 -0.158 0.000 0.952 78 K CB -0.325 32.085 32.500 -0.150 0.000 0.729 78 K HN -0.003 nan 8.250 nan 0.000 0.446 79 V N 1.822 121.540 119.914 -0.327 0.000 2.295 79 V HA -0.158 3.961 4.120 -0.001 0.000 0.246 79 V C -0.930 175.008 176.094 -0.261 0.000 1.049 79 V CA 1.758 63.799 62.300 -0.431 0.000 1.024 79 V CB -1.192 30.203 31.823 -0.713 0.000 0.648 79 V HN 0.153 nan 8.190 nan 0.000 0.447 80 P HA -0.161 nan 4.420 nan 0.000 0.218 80 P C 1.666 178.910 177.300 -0.093 0.000 1.149 80 P CA 1.423 64.454 63.100 -0.115 0.000 0.817 80 P CB 0.074 31.733 31.700 -0.068 0.000 0.785 81 E N -0.018 120.134 120.200 -0.081 0.000 2.051 81 E HA -0.199 4.151 4.350 -0.001 0.000 0.192 81 E C 1.922 178.501 176.600 -0.034 0.000 0.991 81 E CA 1.300 57.679 56.400 -0.036 0.000 0.799 81 E CB -0.548 29.144 29.700 -0.013 0.000 0.748 81 E HN 0.045 nan 8.360 nan 0.000 0.449 82 A N 1.325 124.098 122.820 -0.079 0.000 1.908 82 A HA -0.128 4.192 4.320 -0.001 0.000 0.218 82 A C 2.421 179.843 177.584 -0.271 0.000 1.181 82 A CA 1.974 53.899 52.037 -0.187 0.000 0.627 82 A CB -0.846 17.991 19.000 -0.271 0.000 0.818 82 A HN 0.441 nan 8.150 nan 0.000 0.445 83 A N -0.332 122.365 122.820 -0.205 0.000 1.902 83 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 83 A C 2.276 179.790 177.584 -0.118 0.000 1.181 83 A CA 1.540 53.475 52.037 -0.170 0.000 0.623 83 A CB -0.475 18.443 19.000 -0.137 0.000 0.818 83 A HN 0.547 nan 8.150 nan 0.000 0.443 84 R N -0.730 119.721 120.500 -0.082 0.000 2.073 84 R HA -0.097 4.242 4.340 -0.001 0.000 0.234 84 R C 2.475 178.759 176.300 -0.027 0.000 1.134 84 R CA 1.620 57.693 56.100 -0.044 0.000 0.952 84 R CB -0.339 29.947 30.300 -0.024 0.000 0.850 84 R HN 0.508 nan 8.270 nan 0.000 0.433 85 R N 0.460 120.955 120.500 -0.009 0.000 2.096 85 R HA -0.076 4.264 4.340 -0.001 0.000 0.235 85 R C 2.143 178.457 176.300 0.024 0.000 1.127 85 R CA 1.114 57.247 56.100 0.055 0.000 0.968 85 R CB -0.227 30.188 30.300 0.192 0.000 0.861 85 R HN 0.212 nan 8.270 nan 0.000 0.440 86 L N 0.447 121.612 121.223 -0.098 0.000 2.558 86 L HA 0.077 4.417 4.340 -0.001 0.000 0.225 86 L C 0.218 177.044 176.870 -0.073 0.000 1.128 86 L CA 0.205 54.972 54.840 -0.122 0.000 0.868 86 L CB 0.017 41.887 42.059 -0.315 0.000 1.006 86 L HN 0.123 nan 8.230 nan 0.000 0.454 87 K N 0.029 120.393 120.400 -0.060 0.000 3.096 87 K HA -0.181 4.139 4.320 -0.001 0.000 0.266 87 K C 0.293 176.865 176.600 -0.045 0.000 1.043 87 K CA 0.295 56.558 56.287 -0.039 0.000 0.758 87 K CB -1.626 30.863 32.500 -0.017 0.000 1.260 87 K HN 0.349 nan 8.250 nan 0.000 0.481 88 A N 0.989 123.766 122.820 -0.072 0.000 2.462 88 A HA 0.105 4.424 4.320 -0.001 0.000 0.243 88 A C 1.112 178.680 177.584 -0.027 0.000 1.076 88 A CA 0.041 52.044 52.037 -0.057 0.000 0.773 88 A CB 0.387 19.332 19.000 -0.090 0.000 1.010 88 A HN 0.376 nan 8.150 nan 0.000 0.493 89 K N 0.694 121.098 120.400 0.007 0.000 2.243 89 K HA 0.302 4.621 4.320 -0.001 0.000 0.201 89 K C 0.524 177.138 176.600 0.023 0.000 1.051 89 K CA 1.232 57.532 56.287 0.022 0.000 0.970 89 K CB 0.048 32.578 32.500 0.050 0.000 0.755 89 K HN 0.838 nan 8.250 nan 0.000 0.465 90 A N 0.108 122.954 122.820 0.043 0.000 2.601 90 A HA 0.530 4.850 4.320 -0.001 0.000 0.291 90 A C -1.604 175.988 177.584 0.014 0.000 1.075 90 A CA -0.762 51.269 52.037 -0.010 0.000 0.671 90 A CB 1.404 20.424 19.000 0.033 0.000 1.277 90 A HN -0.122 nan 8.150 nan 0.000 0.417 91 V N 0.704 120.553 119.914 -0.108 0.000 2.555 91 V HA 0.605 4.725 4.120 -0.001 0.000 0.302 91 V C -1.453 174.592 176.094 -0.081 0.000 1.038 91 V CA -0.362 61.938 62.300 0.002 0.000 0.887 91 V CB 1.393 33.216 31.823 0.000 0.000 0.991 91 V HN 0.741 nan 8.190 nan 0.000 0.434 92 Y N 2.382 122.765 120.300 0.137 0.000 2.376 92 Y HA 0.840 5.389 4.550 -0.000 0.000 0.340 92 Y C 0.321 176.293 175.900 0.121 0.000 0.965 92 Y CA -0.339 57.844 58.100 0.140 0.000 1.078 92 Y CB 2.225 40.746 38.460 0.101 0.000 1.193 92 Y HN 0.829 nan 8.280 nan 0.000 0.452 93 A N 2.461 125.405 122.820 0.206 0.000 2.588 93 A HA 0.816 5.136 4.320 -0.001 0.000 0.290 93 A C -1.957 175.635 177.584 0.013 0.000 1.136 93 A CA -0.900 51.177 52.037 0.067 0.000 0.681 93 A CB 1.265 20.214 19.000 -0.085 0.000 1.282 93 A HN 0.672 nan 8.150 nan 0.000 0.421 94 L N 1.302 122.477 121.223 -0.080 0.000 2.307 94 L HA 0.405 4.744 4.340 -0.001 0.000 0.282 94 L C 0.331 177.106 176.870 -0.159 0.000 1.051 94 L CA -0.614 54.160 54.840 -0.110 0.000 0.804 94 L CB 1.568 43.524 42.059 -0.172 0.000 1.197 94 L HN 0.793 nan 8.230 nan 0.000 0.431 95 T N 1.378 115.845 114.554 -0.145 0.000 2.946 95 T HA 0.051 4.401 4.350 -0.001 0.000 0.311 95 T C 0.219 174.724 174.700 -0.325 0.000 1.063 95 T CA 0.133 62.089 62.100 -0.239 0.000 1.139 95 T CB 0.744 69.459 68.868 -0.256 0.000 0.994 95 T HN 0.581 nan 8.240 nan 0.000 0.547 96 S N 0.884 116.357 115.700 -0.379 0.000 2.502 96 S HA 0.368 4.838 4.470 -0.001 0.000 0.304 96 S C -0.306 174.066 174.600 -0.380 0.000 1.097 96 S CA -0.799 57.217 58.200 -0.307 0.000 1.045 96 S CB 0.552 63.639 63.200 -0.188 0.000 1.019 96 S HN 0.793 nan 8.310 nan 0.000 0.481 97 H N 1.727 120.785 119.070 -0.021 0.000 2.505 97 H HA 0.237 4.792 4.556 -0.001 0.000 0.286 97 H C 0.890 176.286 175.328 0.115 0.000 1.072 97 H CA 0.124 56.198 56.048 0.043 0.000 1.141 97 H CB 0.426 30.156 29.762 -0.054 0.000 1.550 97 H HN 0.649 nan 8.280 nan 0.000 0.547 98 T N -2.507 112.130 114.554 0.139 0.000 2.882 98 T HA 0.107 4.456 4.350 -0.001 0.000 0.287 98 T C -1.583 173.204 174.700 0.145 0.000 1.014 98 T CA -1.986 60.208 62.100 0.157 0.000 1.049 98 T CB 1.798 70.758 68.868 0.154 0.000 1.001 98 T HN -0.144 nan 8.240 nan 0.000 0.525 99 P HA -0.110 nan 4.420 nan 0.000 0.215 99 P C 1.066 178.482 177.300 0.194 0.000 1.157 99 P CA 0.886 64.073 63.100 0.145 0.000 0.868 99 P CB -0.155 31.622 31.700 0.128 0.000 0.788 100 Y N 0.597 120.974 120.300 0.129 0.000 2.163 100 Y HA -0.050 4.499 4.550 -0.001 0.000 0.288 100 Y C 2.457 178.475 175.900 0.197 0.000 1.136 100 Y CA 1.870 60.082 58.100 0.186 0.000 1.147 100 Y CB -1.207 37.348 38.460 0.159 0.000 0.987 100 Y HN -0.143 nan 8.280 nan 0.000 0.509 101 G N 0.499 109.285 108.800 -0.024 0.000 2.476 101 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.218 101 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.218 101 G C 1.839 176.648 174.900 -0.151 0.000 1.164 101 G CA 1.086 46.104 45.100 -0.137 0.000 0.768 101 G HN 0.374 nan 8.290 nan 0.000 0.560 102 R N -1.039 119.428 120.500 -0.055 0.000 2.075 102 R HA -0.072 4.268 4.340 -0.001 0.000 0.232 102 R C 2.353 178.612 176.300 -0.068 0.000 1.126 102 R CA 1.346 57.421 56.100 -0.041 0.000 0.963 102 R CB -0.654 29.664 30.300 0.029 0.000 0.858 102 R HN 0.526 nan 8.270 nan 0.000 0.435 103 Y N 2.015 122.237 120.300 -0.130 0.000 2.097 103 Y HA -0.266 4.284 4.550 -0.001 0.000 0.282 103 Y C 2.583 178.356 175.900 -0.212 0.000 1.152 103 Y CA 1.717 59.726 58.100 -0.151 0.000 1.136 103 Y CB -0.335 38.064 38.460 -0.102 0.000 0.975 103 Y HN -0.116 nan 8.280 nan 0.000 0.498 104 R N 0.350 120.547 120.500 -0.506 0.000 2.082 104 R HA -0.204 4.136 4.340 -0.001 0.000 0.234 104 R C 1.750 177.956 176.300 -0.157 0.000 1.136 104 R CA 2.353 58.240 56.100 -0.355 0.000 0.935 104 R CB -0.641 29.467 30.300 -0.319 0.000 0.842 104 R HN 0.381 nan 8.270 nan 0.000 0.430 105 D N -0.604 119.729 120.400 -0.113 0.000 2.178 105 D HA -0.098 4.542 4.640 -0.001 0.000 0.201 105 D C 1.719 177.973 176.300 -0.076 0.000 0.980 105 D CA 1.464 55.457 54.000 -0.012 0.000 0.842 105 D CB -0.471 40.297 40.800 -0.053 0.000 0.948 105 D HN 0.569 nan 8.370 nan 0.000 0.472 106 G N 0.540 109.233 108.800 -0.177 0.000 2.402 106 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.216 106 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.216 106 G C 1.797 176.559 174.900 -0.229 0.000 1.162 106 G CA 0.103 45.095 45.100 -0.180 0.000 0.777 106 G HN 0.098 nan 8.290 nan 0.000 0.539 107 R N 0.126 120.387 120.500 -0.398 0.000 2.081 107 R HA -0.001 4.339 4.340 -0.001 0.000 0.235 107 R C 2.732 178.955 176.300 -0.129 0.000 1.131 107 R CA 0.850 56.696 56.100 -0.424 0.000 0.960 107 R CB -0.891 28.851 30.300 -0.931 0.000 0.856 107 R HN 0.341 nan 8.270 nan 0.000 0.436 108 V N 0.750 120.664 119.914 0.000 0.000 2.358 108 V HA -0.199 3.921 4.120 -0.001 0.000 0.246 108 V C 2.626 178.719 176.094 -0.002 0.000 1.047 108 V CA 1.642 63.982 62.300 0.068 0.000 1.035 108 V CB -0.543 31.358 31.823 0.130 0.000 0.658 108 V HN 0.310 nan 8.190 nan 0.000 0.452 109 R N -0.106 120.379 120.500 -0.024 0.000 2.105 109 R HA -0.219 4.121 4.340 -0.001 0.000 0.239 109 R C 2.299 178.564 176.300 -0.057 0.000 1.135 109 R CA 1.983 58.053 56.100 -0.049 0.000 0.967 109 R CB -0.138 30.127 30.300 -0.059 0.000 0.861 109 R HN 0.627 nan 8.270 nan 0.000 0.442 110 E N -0.526 119.634 120.200 -0.066 0.000 2.077 110 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 110 E C 1.778 178.354 176.600 -0.041 0.000 0.989 110 E CA 1.381 57.744 56.400 -0.062 0.000 0.800 110 E CB -0.050 29.597 29.700 -0.088 0.000 0.746 110 E HN 0.426 nan 8.360 nan 0.000 0.452 111 A N 0.591 123.397 122.820 -0.023 0.000 2.072 111 A HA 0.053 4.373 4.320 -0.001 0.000 0.216 111 A C 1.046 178.615 177.584 -0.024 0.000 1.156 111 A CA 0.076 52.110 52.037 -0.004 0.000 0.701 111 A CB -0.084 18.942 19.000 0.044 0.000 0.816 111 A HN 0.098 nan 8.150 nan 0.000 0.458 112 L N 1.282 122.480 121.223 -0.041 0.000 2.410 112 L HA 0.136 4.476 4.340 -0.001 0.000 0.273 112 L C -1.002 175.832 176.870 -0.059 0.000 1.144 112 L CA -1.224 53.580 54.840 -0.061 0.000 0.863 112 L CB 1.272 43.284 42.059 -0.079 0.000 1.140 112 L HN 0.218 nan 8.230 nan 0.000 0.463 113 P HA -0.005 nan 4.420 nan 0.000 0.240 113 P C -0.020 177.245 177.300 -0.058 0.000 1.190 113 P CA 0.477 63.547 63.100 -0.049 0.000 0.781 113 P CB 0.343 32.020 31.700 -0.040 0.000 0.931 114 V N -4.053 115.815 119.914 -0.076 0.000 3.019 114 V HA 0.689 4.808 4.120 -0.001 0.000 0.317 114 V C -2.996 173.014 176.094 -0.141 0.000 1.094 114 V CA -3.223 59.023 62.300 -0.090 0.000 1.000 114 V CB 0.783 32.559 31.823 -0.078 0.000 1.060 114 V HN -0.295 nan 8.190 nan 0.000 0.443 115 P HA 0.319 nan 4.420 nan 0.000 0.268 115 P C -1.009 176.015 177.300 -0.460 0.000 1.205 115 P CA 0.002 62.882 63.100 -0.366 0.000 0.771 115 P CB 0.371 31.768 31.700 -0.505 0.000 0.858 116 L N 4.459 125.423 121.223 -0.431 0.000 2.316 116 L HA 0.345 4.684 4.340 -0.001 0.000 0.280 116 L C -0.916 175.723 176.870 -0.385 0.000 1.006 116 L CA -0.266 54.390 54.840 -0.308 0.000 0.836 116 L CB 0.023 42.016 42.059 -0.110 0.000 1.221 116 L HN 0.367 nan 8.230 nan 0.000 0.418 117 H N 6.651 125.554 119.070 -0.278 0.000 2.594 117 H HA 0.418 4.973 4.556 -0.001 0.000 0.304 117 H C -0.762 174.506 175.328 -0.101 0.000 1.068 117 H CA -0.375 55.522 56.048 -0.252 0.000 1.308 117 H CB 1.335 30.785 29.762 -0.519 0.000 1.409 117 H HN 0.550 nan 8.280 nan 0.000 0.460 118 L N 4.888 126.150 121.223 0.064 0.000 2.296 118 L HA 0.328 4.668 4.340 -0.001 0.000 0.286 118 L C -0.347 176.554 176.870 0.051 0.000 1.023 118 L CA -0.716 54.144 54.840 0.033 0.000 0.812 118 L CB 1.181 43.224 42.059 -0.027 0.000 1.223 118 L HN 0.226 nan 8.230 nan 0.000 0.421 119 L N 4.497 125.750 121.223 0.050 0.000 2.330 119 L HA 0.589 4.929 4.340 -0.001 0.000 0.271 119 L C -2.285 174.591 176.870 0.009 0.000 1.013 119 L CA -1.615 53.252 54.840 0.045 0.000 0.816 119 L CB 1.399 43.499 42.059 0.068 0.000 1.287 119 L HN 0.311 nan 8.230 nan 0.000 0.435 120 P HA 0.136 nan 4.420 nan 0.000 0.267 120 P C -0.934 176.371 177.300 0.009 0.000 1.205 120 P CA -0.152 62.975 63.100 0.044 0.000 0.765 120 P CB 0.676 32.415 31.700 0.066 0.000 0.828 121 A N 6.072 128.894 122.820 0.003 0.000 2.386 121 A HA 0.436 4.755 4.320 -0.001 0.000 0.248 121 A C -2.130 175.385 177.584 -0.116 0.000 1.082 121 A CA -1.294 50.679 52.037 -0.107 0.000 0.789 121 A CB -0.947 17.954 19.000 -0.165 0.000 1.025 121 A HN 0.395 nan 8.150 nan 0.000 0.490 122 P HA 0.301 nan 4.420 nan 0.000 0.271 122 P C -0.535 176.612 177.300 -0.254 0.000 1.220 122 P CA 0.609 63.637 63.100 -0.121 0.000 0.768 122 P CB 0.443 32.095 31.700 -0.080 0.000 0.848 123 H N 1.261 120.359 119.070 0.047 0.000 2.977 123 H HA 0.225 4.781 4.556 -0.001 0.000 0.350 123 H C 0.478 175.851 175.328 0.074 0.000 1.238 123 H CA -0.490 55.596 56.048 0.063 0.000 1.124 123 H CB 1.546 31.354 29.762 0.076 0.000 1.866 123 H HN 0.105 nan 8.280 nan 0.000 0.550 124 L N 0.371 121.718 121.223 0.206 0.000 2.127 124 L HA 0.169 4.508 4.340 -0.001 0.000 0.203 124 L C 0.528 177.488 176.870 0.150 0.000 1.080 124 L CA 1.347 56.273 54.840 0.144 0.000 0.768 124 L CB 0.163 42.139 42.059 -0.138 0.000 0.924 124 L HN 0.292 nan 8.230 nan 0.000 0.444 125 L N -0.216 121.063 121.223 0.093 0.000 2.438 125 L HA 0.387 4.727 4.340 -0.001 0.000 0.270 125 L C -2.400 174.514 176.870 0.073 0.000 0.972 125 L CA -1.878 52.975 54.840 0.022 0.000 0.831 125 L CB 2.185 44.095 42.059 -0.247 0.000 1.273 125 L HN -0.160 nan 8.230 nan 0.000 0.405 126 P HA 0.077 nan 4.420 nan 0.000 0.267 126 P C -2.087 175.182 177.300 -0.052 0.000 1.200 126 P CA -0.920 62.128 63.100 -0.088 0.000 0.772 126 P CB 0.219 31.898 31.700 -0.035 0.000 0.855 127 P HA -0.067 nan 4.420 nan 0.000 0.235 127 P C 0.206 177.360 177.300 -0.243 0.000 1.177 127 P CA 1.136 64.175 63.100 -0.101 0.000 0.785 127 P CB 0.142 31.710 31.700 -0.221 0.000 0.885 128 D N -0.165 119.877 120.400 -0.597 0.000 2.706 128 D HA 0.079 4.719 4.640 -0.001 0.000 0.236 128 D C 0.380 176.644 176.300 -0.059 0.000 1.231 128 D CA -0.746 52.819 54.000 -0.725 0.000 0.828 128 D CB -0.505 39.620 40.800 -1.126 0.000 1.015 128 D HN 0.003 nan 8.370 nan 0.000 0.484 129 L N 1.020 122.389 121.223 0.244 0.000 2.483 129 L HA 0.167 4.506 4.340 -0.001 0.000 0.276 129 L C -1.202 175.897 176.870 0.382 0.000 1.213 129 L CA -1.362 53.658 54.840 0.301 0.000 0.843 129 L CB 0.599 42.899 42.059 0.402 0.000 1.107 129 L HN -0.150 nan 8.230 nan 0.000 0.487 130 P HA -0.130 nan 4.420 nan 0.000 0.211 130 P C -0.165 177.241 177.300 0.177 0.000 1.179 130 P CA 0.901 64.115 63.100 0.191 0.000 0.910 130 P CB 0.061 31.830 31.700 0.114 0.000 0.785 131 R N 0.483 121.041 120.500 0.097 0.000 2.623 131 R HA 0.346 4.686 4.340 -0.001 0.000 0.271 131 R C -0.599 175.569 176.300 -0.219 0.000 1.043 131 R CA 0.215 56.243 56.100 -0.120 0.000 1.083 131 R CB -0.343 29.780 30.300 -0.294 0.000 0.974 131 R HN 0.039 nan 8.270 nan 0.000 0.436 132 A N 5.125 127.735 122.820 -0.349 0.000 2.277 132 A HA 0.419 4.739 4.320 -0.001 0.000 0.318 132 A C -1.447 176.089 177.584 -0.081 0.000 1.339 132 A CA -0.559 51.235 52.037 -0.406 0.000 0.875 132 A CB 0.259 19.037 19.000 -0.371 0.000 1.158 132 A HN 0.682 nan 8.150 nan 0.000 0.514 133 Y N 0.923 121.449 120.300 0.377 0.000 2.361 133 Y HA 0.485 5.035 4.550 -0.001 0.000 0.332 133 Y C 1.343 177.529 175.900 0.476 0.000 1.101 133 Y CA -0.763 57.546 58.100 0.348 0.000 1.137 133 Y CB 1.665 40.256 38.460 0.219 0.000 1.207 133 Y HN 0.706 nan 8.280 nan 0.000 0.463 134 R N 0.950 121.738 120.500 0.480 0.000 2.365 134 R HA 0.288 4.628 4.340 -0.001 0.000 0.223 134 R C -0.766 175.789 176.300 0.425 0.000 0.899 134 R CA 0.112 56.413 56.100 0.335 0.000 1.059 134 R CB 0.603 30.938 30.300 0.059 0.000 1.086 134 R HN 0.332 nan 8.270 nan 0.000 0.522 135 V N 0.506 120.648 119.914 0.380 0.000 2.628 135 V HA 0.088 4.208 4.120 -0.001 0.000 0.306 135 V C 0.220 176.245 176.094 -0.115 0.000 1.045 135 V CA -0.814 61.615 62.300 0.215 0.000 0.905 135 V CB 1.671 33.586 31.823 0.153 0.000 0.997 135 V HN 0.058 nan 8.190 nan 0.000 0.436 136 Y N 3.408 123.355 120.300 -0.588 0.000 2.133 136 Y HA -0.218 4.331 4.550 -0.001 0.000 0.287 136 Y C 2.399 177.934 175.900 -0.608 0.000 1.134 136 Y CA 2.673 60.073 58.100 -1.167 0.000 1.133 136 Y CB -0.288 37.399 38.460 -1.288 0.000 0.987 136 Y HN 0.734 nan 8.280 nan 0.000 0.502 137 T N 1.857 116.184 114.554 -0.378 0.000 2.624 137 T HA -0.188 4.162 4.350 -0.001 0.000 0.268 137 T C -0.436 174.021 174.700 -0.406 0.000 1.041 137 T CA 2.477 64.361 62.100 -0.359 0.000 1.159 137 T CB -1.429 67.382 68.868 -0.095 0.000 0.863 137 T HN 0.299 nan 8.240 nan 0.000 0.434 138 P HA -0.039 nan 4.420 nan 0.000 0.217 138 P C 1.251 178.163 177.300 -0.648 0.000 1.150 138 P CA 0.702 63.630 63.100 -0.287 0.000 0.832 138 P CB -0.149 31.549 31.700 -0.003 0.000 0.787 139 F N 1.346 120.698 119.950 -0.998 0.000 2.113 139 F HA -0.181 4.345 4.527 -0.001 0.000 0.297 139 F C 2.231 177.518 175.800 -0.854 0.000 1.103 139 F CA 1.977 59.282 58.000 -1.157 0.000 1.248 139 F CB -0.970 37.421 39.000 -1.015 0.000 0.999 139 F HN -0.075 nan 8.300 nan 0.000 0.475 140 S N 0.331 115.440 115.700 -0.986 0.000 2.442 140 S HA -0.186 4.284 4.470 -0.001 0.000 0.236 140 S C 2.029 176.300 174.600 -0.548 0.000 1.007 140 S CA 0.931 58.584 58.200 -0.912 0.000 0.965 140 S CB -0.778 61.756 63.200 -1.111 0.000 0.773 140 S HN 0.525 nan 8.310 nan 0.000 0.504 141 R N 0.691 120.906 120.500 -0.475 0.000 2.189 141 R HA 0.191 4.530 4.340 -0.001 0.000 0.223 141 R C 2.025 178.170 176.300 -0.258 0.000 1.092 141 R CA 1.134 57.059 56.100 -0.291 0.000 0.989 141 R CB -0.566 29.595 30.300 -0.231 0.000 0.876 141 R HN 0.446 nan 8.270 nan 0.000 0.457 142 L N -0.451 120.558 121.223 -0.357 0.000 2.275 142 L HA -0.100 4.240 4.340 -0.001 0.000 0.215 142 L C 0.795 177.546 176.870 -0.197 0.000 1.119 142 L CA 0.254 54.928 54.840 -0.277 0.000 0.790 142 L CB -0.316 41.530 42.059 -0.355 0.000 0.919 142 L HN 0.145 nan 8.230 nan 0.000 0.443 143 Y N 1.644 121.727 120.300 -0.361 0.000 2.465 143 Y HA 0.053 4.602 4.550 -0.001 0.000 0.331 143 Y C 0.840 176.642 175.900 -0.163 0.000 1.102 143 Y CA -0.264 57.680 58.100 -0.260 0.000 1.358 143 Y CB 0.272 38.560 38.460 -0.287 0.000 1.213 143 Y HN -0.044 nan 8.280 nan 0.000 0.525 144 R N 4.440 124.574 120.500 -0.610 0.000 2.662 144 R HA 0.354 4.693 4.340 -0.001 0.000 0.396 144 R C -0.130 175.809 176.300 -0.601 0.000 1.096 144 R CA 0.160 55.974 56.100 -0.477 0.000 1.081 144 R CB 0.043 30.192 30.300 -0.252 0.000 1.382 144 R HN 0.955 nan 8.270 nan 0.000 0.580 145 G N 0.250 108.317 108.800 -1.222 0.000 2.650 145 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.686 145 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.686 145 G C -0.758 173.908 174.900 -0.390 0.000 1.205 145 G CA -0.583 44.111 45.100 -0.677 0.000 0.781 145 G HN 0.329 nan 8.290 nan 0.000 0.648 146 A N 0.675 123.542 122.820 0.078 0.000 2.388 146 A HA 0.932 5.251 4.320 -0.001 0.000 0.257 146 A C 1.089 178.848 177.584 0.292 0.000 1.095 146 A CA 1.093 53.302 52.037 0.288 0.000 0.791 146 A CB 0.626 19.883 19.000 0.429 0.000 1.029 146 A HN 2.575 nan 8.150 nan 0.000 0.489 147 A N 3.161 126.093 122.820 0.187 0.000 2.332 147 A HA 0.650 4.970 4.320 -0.001 0.000 0.258 147 A C -2.427 175.134 177.584 -0.039 0.000 1.087 147 A CA -1.438 50.653 52.037 0.090 0.000 0.802 147 A CB -0.456 18.559 19.000 0.026 0.000 1.042 147 A HN 0.629 nan 8.150 nan 0.000 0.489 148 P HA 0.248 nan 4.420 nan 0.000 0.271 148 P C -2.482 174.483 177.300 -0.558 0.000 1.218 148 P CA -0.803 61.718 63.100 -0.965 0.000 0.780 148 P CB 0.134 31.342 31.700 -0.820 0.000 0.901 149 P HA 0.218 nan 4.420 nan 0.000 0.281 149 P C -0.624 176.551 177.300 -0.209 0.000 1.249 149 P CA -0.261 62.677 63.100 -0.270 0.000 0.810 149 P CB 0.922 32.517 31.700 -0.175 0.000 1.008 150 L N 3.285 124.443 121.223 -0.109 0.000 2.397 150 L HA 0.327 4.666 4.340 -0.001 0.000 0.271 150 L C -1.614 175.216 176.870 -0.067 0.000 1.148 150 L CA -1.919 52.870 54.840 -0.086 0.000 0.825 150 L CB 0.374 42.403 42.059 -0.051 0.000 1.117 150 L HN 0.271 nan 8.230 nan 0.000 0.456 151 P HA 0.249 nan 4.420 nan 0.000 0.276 151 P C -2.701 174.509 177.300 -0.151 0.000 1.244 151 P CA -1.553 61.486 63.100 -0.102 0.000 0.801 151 P CB 0.480 32.126 31.700 -0.090 0.000 1.006 152 P HA 0.303 nan 4.420 nan 0.000 0.279 152 P C -2.338 174.828 177.300 -0.224 0.000 1.252 152 P CA -1.952 60.947 63.100 -0.335 0.000 0.811 152 P CB -0.594 30.665 31.700 -0.735 0.000 1.035 153 P HA 0.186 nan 4.420 nan 0.000 0.274 153 P C 0.399 177.614 177.300 -0.142 0.000 1.231 153 P CA 0.002 63.011 63.100 -0.151 0.000 0.790 153 P CB 1.293 32.898 31.700 -0.157 0.000 0.951 154 E N 0.622 120.758 120.200 -0.106 0.000 2.122 154 E HA 0.171 4.521 4.350 -0.001 0.000 0.190 154 E C 0.608 177.162 176.600 -0.078 0.000 0.977 154 E CA 0.611 56.961 56.400 -0.084 0.000 0.820 154 E CB 0.112 29.775 29.700 -0.062 0.000 0.770 154 E HN 0.592 nan 8.360 nan 0.000 0.462 155 A N 0.391 123.163 122.820 -0.081 0.000 2.606 155 A HA 0.657 4.976 4.320 -0.001 0.000 0.293 155 A C -1.582 175.952 177.584 -0.083 0.000 1.082 155 A CA -0.709 51.285 52.037 -0.071 0.000 0.685 155 A CB 1.162 20.134 19.000 -0.047 0.000 1.284 155 A HN 0.057 nan 8.150 nan 0.000 0.408 156 L N 1.725 122.902 121.223 -0.076 0.000 2.354 156 L HA 0.589 4.929 4.340 -0.001 0.000 0.269 156 L C -2.089 174.767 176.870 -0.024 0.000 1.005 156 L CA -2.113 52.684 54.840 -0.071 0.000 0.819 156 L CB 2.460 44.453 42.059 -0.110 0.000 1.311 156 L HN 0.583 nan 8.230 nan 0.000 0.423 157 P HA 0.055 nan 4.420 nan 0.000 0.272 157 P C -1.132 176.188 177.300 0.034 0.000 1.223 157 P CA -0.454 62.651 63.100 0.007 0.000 0.784 157 P CB 0.985 32.687 31.700 0.004 0.000 0.923 158 K N 0.880 121.300 120.400 0.034 0.000 2.295 158 K HA 0.478 4.797 4.320 -0.001 0.000 0.270 158 K C 0.078 176.718 176.600 0.067 0.000 1.011 158 K CA -0.066 56.251 56.287 0.051 0.000 0.953 158 K CB 0.062 32.585 32.500 0.039 0.000 0.956 158 K HN 0.770 nan 8.250 nan 0.000 0.477 159 G N 2.780 111.636 108.800 0.093 0.000 2.608 159 G HA2 0.383 4.342 3.960 -0.001 0.000 0.291 159 G HA3 0.383 4.342 3.960 -0.001 0.000 0.291 159 G C -2.941 172.052 174.900 0.154 0.000 1.425 159 G CA -1.003 44.167 45.100 0.117 0.000 0.787 159 G HN 0.557 nan 8.290 nan 0.000 0.484 160 P HA 0.334 nan 4.420 nan 0.000 0.282 160 P C -0.889 176.595 177.300 0.306 0.000 1.249 160 P CA -0.166 63.064 63.100 0.217 0.000 0.806 160 P CB 2.323 34.166 31.700 0.240 0.000 0.984 161 E N 1.731 121.963 120.200 0.054 0.000 2.195 161 E HA 0.305 4.655 4.350 -0.001 0.000 0.271 161 E C -0.783 175.522 176.600 -0.492 0.000 0.923 161 E CA -0.491 55.842 56.400 -0.111 0.000 0.790 161 E CB 1.063 30.735 29.700 -0.047 0.000 1.155 161 E HN 0.346 nan 8.360 nan 0.000 0.402 162 E N 1.230 120.871 120.200 -0.933 0.000 2.408 162 E HA 0.528 4.878 4.350 -0.001 0.000 0.275 162 E C -0.657 175.608 176.600 -0.559 0.000 0.935 162 E CA -0.317 55.519 56.400 -0.939 0.000 0.775 162 E CB 1.877 30.545 29.700 -1.720 0.000 1.277 162 E HN 0.835 nan 8.360 nan 0.000 0.455 163 G N 1.689 110.268 108.800 -0.368 0.000 2.705 163 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.686 163 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.686 163 G C -0.857 173.962 174.900 -0.136 0.000 1.285 163 G CA -0.699 44.281 45.100 -0.199 0.000 0.800 163 G HN 0.284 nan 8.290 nan 0.000 0.611 164 E N -0.225 119.921 120.200 -0.090 0.000 2.244 164 E HA 0.626 4.976 4.350 -0.001 0.000 0.266 164 E C 0.123 176.696 176.600 -0.045 0.000 0.914 164 E CA -0.822 55.538 56.400 -0.067 0.000 0.794 164 E CB 1.971 31.637 29.700 -0.057 0.000 1.210 164 E HN 0.538 nan 8.360 nan 0.000 0.414 165 I N 3.088 123.633 120.570 -0.041 0.000 2.330 165 I HA 0.226 4.395 4.170 -0.001 0.000 0.286 165 I C -2.089 174.017 176.117 -0.018 0.000 1.025 165 I CA -1.941 59.340 61.300 -0.031 0.000 1.197 165 I CB 0.962 38.932 38.000 -0.050 0.000 1.358 165 I HN 0.067 nan 8.210 nan 0.000 0.467 166 P HA 0.094 nan 4.420 nan 0.000 0.267 166 P C -0.646 176.660 177.300 0.010 0.000 1.201 166 P CA -0.083 63.021 63.100 0.007 0.000 0.775 166 P CB 0.474 32.187 31.700 0.020 0.000 0.854 167 R N 2.053 122.560 120.500 0.012 0.000 2.360 167 R HA 0.336 4.676 4.340 -0.001 0.000 0.318 167 R C -0.076 176.240 176.300 0.027 0.000 0.950 167 R CA -0.569 55.542 56.100 0.017 0.000 0.837 167 R CB 1.565 31.872 30.300 0.012 0.000 1.165 167 R HN 0.489 nan 8.270 nan 0.000 0.458 168 E N 1.555 121.778 120.200 0.039 0.000 2.212 168 E HA 0.092 4.442 4.350 -0.001 0.000 0.270 168 E C -1.091 175.538 176.600 0.047 0.000 0.956 168 E CA -0.697 55.730 56.400 0.045 0.000 0.825 168 E CB 1.973 31.708 29.700 0.059 0.000 1.167 168 E HN 0.358 nan 8.360 nan 0.000 0.400 169 D N 3.366 123.791 120.400 0.041 0.000 2.339 169 D HA 0.112 4.751 4.640 -0.001 0.000 0.241 169 D C -1.498 174.831 176.300 0.047 0.000 1.183 169 D CA -1.919 52.105 54.000 0.040 0.000 0.859 169 D CB 1.105 41.924 40.800 0.031 0.000 1.067 169 D HN 0.092 nan 8.370 nan 0.000 0.484 170 P HA 0.021 nan 4.420 nan 0.000 0.223 170 P C 0.936 178.259 177.300 0.038 0.000 1.151 170 P CA 1.028 64.162 63.100 0.057 0.000 0.787 170 P CB 0.314 32.056 31.700 0.070 0.000 0.788 171 G N -0.339 108.481 108.800 0.034 0.000 2.184 171 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.264 171 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.264 171 G C -0.044 174.870 174.900 0.023 0.000 0.975 171 G CA 0.559 45.675 45.100 0.028 0.000 0.642 171 G HN 0.581 nan 8.290 nan 0.000 0.536 172 L N -4.497 116.738 121.223 0.020 0.000 2.765 172 L HA 0.879 5.218 4.340 -0.001 0.000 0.263 172 L C -2.981 173.895 176.870 0.011 0.000 1.068 172 L CA -2.843 52.004 54.840 0.013 0.000 0.903 172 L CB 0.020 42.077 42.059 -0.004 0.000 1.512 172 L HN -0.152 nan 8.230 nan 0.000 0.404 173 P HA 0.481 nan 4.420 nan 0.000 0.276 173 P C -0.931 176.352 177.300 -0.028 0.000 1.253 173 P CA 0.168 63.272 63.100 0.005 0.000 0.766 173 P CB 0.528 32.237 31.700 0.014 0.000 0.845 174 L N 5.765 126.982 121.223 -0.009 0.000 2.343 174 L HA 0.479 4.818 4.340 -0.001 0.000 0.275 174 L C -1.663 175.178 176.870 -0.048 0.000 1.056 174 L CA -2.054 52.753 54.840 -0.055 0.000 0.804 174 L CB 0.672 42.786 42.059 0.092 0.000 1.203 174 L HN 0.251 nan 8.230 nan 0.000 0.440 175 P HA 0.036 nan 4.420 nan 0.000 0.274 175 P C -0.854 176.557 177.300 0.185 0.000 1.260 175 P CA -0.546 62.515 63.100 -0.065 0.000 0.793 175 P CB 0.402 31.945 31.700 -0.263 0.000 1.048 176 E N 1.645 121.990 120.200 0.241 0.000 2.299 176 E HA 0.102 4.452 4.350 -0.001 0.000 0.272 176 E C -1.952 174.900 176.600 0.421 0.000 1.043 176 E CA -1.732 54.825 56.400 0.262 0.000 0.895 176 E CB 0.107 29.913 29.700 0.176 0.000 1.011 176 E HN 0.231 nan 8.360 nan 0.000 0.432 177 P HA 0.304 nan 4.420 nan 0.000 0.276 177 P C -0.107 177.263 177.300 0.116 0.000 1.244 177 P CA 0.054 63.256 63.100 0.170 0.000 0.801 177 P CB 1.166 32.851 31.700 -0.026 0.000 1.006 178 G N 0.637 109.468 108.800 0.050 0.000 2.619 178 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.686 178 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.686 178 G C 0.513 175.422 174.900 0.016 0.000 1.256 178 G CA 0.115 45.226 45.100 0.017 0.000 0.826 178 G HN 0.578 nan 8.290 nan 0.000 0.619 179 E N -0.219 119.967 120.200 -0.023 0.000 2.072 179 E HA -0.098 4.252 4.350 -0.001 0.000 0.191 179 E C 2.095 178.616 176.600 -0.130 0.000 0.985 179 E CA 1.698 58.054 56.400 -0.073 0.000 0.801 179 E CB -0.065 29.630 29.700 -0.008 0.000 0.750 179 E HN 0.696 nan 8.360 nan 0.000 0.452 180 E N 0.375 120.532 120.200 -0.073 0.000 2.058 180 E HA -0.226 4.124 4.350 -0.001 0.000 0.194 180 E C 2.127 178.660 176.600 -0.111 0.000 0.997 180 E CA 1.026 57.381 56.400 -0.075 0.000 0.801 180 E CB -0.214 29.471 29.700 -0.026 0.000 0.746 180 E HN 0.369 nan 8.360 nan 0.000 0.450 181 A N 1.621 124.382 122.820 -0.097 0.000 1.908 181 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 181 A C 2.423 179.813 177.584 -0.322 0.000 1.181 181 A CA 1.811 53.780 52.037 -0.114 0.000 0.627 181 A CB -0.695 18.315 19.000 0.016 0.000 0.818 181 A HN 0.299 nan 8.150 nan 0.000 0.445 182 A N -0.320 122.165 122.820 -0.558 0.000 1.902 182 A HA -0.044 4.276 4.320 -0.001 0.000 0.217 182 A C 2.182 179.504 177.584 -0.437 0.000 1.181 182 A CA 1.521 53.039 52.037 -0.865 0.000 0.623 182 A CB -0.601 17.899 19.000 -0.833 0.000 0.818 182 A HN 0.474 nan 8.150 nan 0.000 0.443 183 L N -0.882 120.161 121.223 -0.300 0.000 2.056 183 L HA -0.174 4.166 4.340 -0.001 0.000 0.207 183 L C 3.092 179.879 176.870 -0.140 0.000 1.078 183 L CA 0.987 55.703 54.840 -0.207 0.000 0.749 183 L CB -0.528 41.397 42.059 -0.224 0.000 0.901 183 L HN 0.444 nan 8.230 nan 0.000 0.433 184 A N 0.283 123.024 122.820 -0.131 0.000 1.933 184 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 184 A C 2.393 179.933 177.584 -0.073 0.000 1.175 184 A CA 1.691 53.680 52.037 -0.081 0.000 0.628 184 A CB -1.181 17.781 19.000 -0.063 0.000 0.814 184 A HN 0.441 nan 8.150 nan 0.000 0.444 185 G N -0.263 108.467 108.800 -0.117 0.000 2.422 185 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.218 185 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.218 185 G C 1.480 176.360 174.900 -0.034 0.000 1.146 185 G CA 1.168 46.220 45.100 -0.080 0.000 0.769 185 G HN 0.485 nan 8.290 nan 0.000 0.547 186 L N 0.488 121.674 121.223 -0.062 0.000 2.017 186 L HA 0.088 4.428 4.340 -0.001 0.000 0.208 186 L C 2.825 179.711 176.870 0.026 0.000 1.073 186 L CA 1.691 56.536 54.840 0.008 0.000 0.745 186 L CB -0.525 41.541 42.059 0.011 0.000 0.894 186 L HN 0.099 nan 8.230 nan 0.000 0.432 187 R N -0.618 119.877 120.500 -0.009 0.000 2.091 187 R HA -0.147 4.193 4.340 -0.001 0.000 0.238 187 R C 2.233 178.516 176.300 -0.028 0.000 1.136 187 R CA 1.363 57.452 56.100 -0.019 0.000 0.959 187 R CB -0.660 29.627 30.300 -0.022 0.000 0.856 187 R HN 0.564 nan 8.270 nan 0.000 0.437 188 A N 0.902 123.716 122.820 -0.010 0.000 1.865 188 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 188 A C 1.965 179.541 177.584 -0.015 0.000 1.191 188 A CA 1.397 53.428 52.037 -0.010 0.000 0.623 188 A CB -0.749 18.257 19.000 0.011 0.000 0.826 188 A HN 0.393 nan 8.150 nan 0.000 0.444 189 F N 0.752 120.625 119.950 -0.128 0.000 2.069 189 F HA -0.178 4.348 4.527 -0.001 0.000 0.298 189 F C 1.955 177.611 175.800 -0.240 0.000 1.113 189 F CA 1.925 59.816 58.000 -0.182 0.000 1.214 189 F CB -0.474 38.380 39.000 -0.243 0.000 0.978 189 F HN 0.150 nan 8.300 nan 0.000 0.474 190 L N 0.004 121.028 121.223 -0.332 0.000 2.012 190 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 190 L C 2.582 179.246 176.870 -0.345 0.000 1.073 190 L CA 1.548 56.137 54.840 -0.418 0.000 0.748 190 L CB -0.834 41.110 42.059 -0.191 0.000 0.891 190 L HN 0.169 nan 8.230 nan 0.000 0.431 191 E N -0.042 120.026 120.200 -0.221 0.000 2.046 191 E HA -0.113 4.237 4.350 -0.001 0.000 0.190 191 E C 2.215 178.707 176.600 -0.180 0.000 0.982 191 E CA 1.425 57.726 56.400 -0.165 0.000 0.800 191 E CB -0.128 29.512 29.700 -0.101 0.000 0.756 191 E HN 0.479 nan 8.360 nan 0.000 0.449 192 A N 1.245 123.950 122.820 -0.191 0.000 1.871 192 A HA -0.023 4.296 4.320 -0.001 0.000 0.211 192 A C 1.962 179.418 177.584 -0.213 0.000 1.207 192 A CA 0.941 52.883 52.037 -0.159 0.000 0.620 192 A CB -0.025 18.919 19.000 -0.094 0.000 0.860 192 A HN 0.050 nan 8.150 nan 0.000 0.450 193 K N -0.743 119.445 120.400 -0.352 0.000 2.323 193 K HA 0.184 4.503 4.320 -0.001 0.000 0.197 193 K C 1.697 177.964 176.600 -0.555 0.000 1.043 193 K CA 0.338 56.403 56.287 -0.370 0.000 0.997 193 K CB -0.101 32.285 32.500 -0.190 0.000 0.807 193 K HN 0.282 nan 8.250 nan 0.000 0.497 194 L N 2.593 123.243 121.223 -0.954 0.000 2.013 194 L HA -0.151 4.189 4.340 -0.001 0.000 0.212 194 L C -1.171 175.550 176.870 -0.247 0.000 1.073 194 L CA 2.020 56.412 54.840 -0.747 0.000 0.753 194 L CB -0.929 40.709 42.059 -0.700 0.000 0.890 194 L HN 0.011 nan 8.230 nan 0.000 0.432 195 P HA -0.177 nan 4.420 nan 0.000 0.216 195 P C 0.960 178.246 177.300 -0.022 0.000 1.154 195 P CA 1.520 64.568 63.100 -0.086 0.000 0.865 195 P CB -0.030 31.615 31.700 -0.092 0.000 0.789 196 R N -2.716 117.773 120.500 -0.018 0.000 2.432 196 R HA 0.150 4.490 4.340 -0.001 0.000 0.260 196 R C 1.623 177.963 176.300 0.066 0.000 0.935 196 R CA -0.253 55.858 56.100 0.019 0.000 1.080 196 R CB -1.105 29.195 30.300 0.000 0.000 1.155 196 R HN 0.287 nan 8.270 nan 0.000 0.531 197 Y N 1.993 122.289 120.300 -0.006 0.000 2.102 197 Y HA -0.349 4.200 4.550 -0.001 0.000 0.280 197 Y C 2.133 178.097 175.900 0.107 0.000 1.178 197 Y CA 2.053 60.208 58.100 0.092 0.000 1.146 197 Y CB -0.190 38.373 38.460 0.173 0.000 0.968 197 Y HN 0.126 nan 8.280 nan 0.000 0.504 198 A N -0.369 122.474 122.820 0.039 0.000 2.019 198 A HA -0.174 4.146 4.320 -0.001 0.000 0.219 198 A C 1.855 179.384 177.584 -0.091 0.000 1.164 198 A CA 1.985 53.995 52.037 -0.044 0.000 0.644 198 A CB -0.499 18.543 19.000 0.070 0.000 0.805 198 A HN 0.569 nan 8.150 nan 0.000 0.449 199 E N -0.551 119.616 120.200 -0.056 0.000 2.415 199 E HA 0.042 4.392 4.350 -0.001 0.000 0.197 199 E C 1.306 177.872 176.600 -0.057 0.000 1.007 199 E CA 0.584 56.959 56.400 -0.041 0.000 0.890 199 E CB 0.230 29.924 29.700 -0.011 0.000 0.891 199 E HN 0.550 nan 8.360 nan 0.000 0.496 200 E N 0.080 120.227 120.200 -0.088 0.000 2.511 200 E HA 0.051 4.401 4.350 -0.001 0.000 0.209 200 E C 1.347 177.869 176.600 -0.131 0.000 0.986 200 E CA 0.023 56.383 56.400 -0.067 0.000 0.974 200 E CB 0.249 29.949 29.700 -0.001 0.000 1.030 200 E HN 0.278 nan 8.360 nan 0.000 0.490 201 R N 0.985 121.296 120.500 -0.315 0.000 2.357 201 R HA -0.033 4.306 4.340 -0.001 0.000 0.202 201 R C 0.139 176.287 176.300 -0.253 0.000 1.047 201 R CA 0.980 56.840 56.100 -0.400 0.000 1.034 201 R CB 0.054 29.803 30.300 -0.919 0.000 0.875 201 R HN -0.189 nan 8.270 nan 0.000 0.473 202 D N 0.541 120.810 120.400 -0.217 0.000 2.433 202 D HA 0.102 4.742 4.640 -0.001 0.000 0.211 202 D C -0.122 176.006 176.300 -0.287 0.000 1.114 202 D CA -0.107 53.715 54.000 -0.297 0.000 0.837 202 D CB 0.339 40.942 40.800 -0.327 0.000 0.984 202 D HN 0.162 nan 8.370 nan 0.000 0.505 203 R N 0.518 120.926 120.500 -0.153 0.000 2.698 203 R HA 0.095 4.435 4.340 -0.001 0.000 0.266 203 R C 1.495 177.638 176.300 -0.262 0.000 1.026 203 R CA 0.023 56.048 56.100 -0.125 0.000 1.102 203 R CB 0.951 31.211 30.300 -0.066 0.000 0.978 203 R HN 0.047 nan 8.270 nan 0.000 0.436 204 L N 1.714 122.731 121.223 -0.344 0.000 2.217 204 L HA -0.159 4.180 4.340 -0.001 0.000 0.211 204 L C 1.703 177.968 176.870 -1.008 0.000 1.107 204 L CA 1.082 55.487 54.840 -0.723 0.000 0.783 204 L CB -0.313 41.248 42.059 -0.830 0.000 0.919 204 L HN 0.776 nan 8.230 nan 0.000 0.442 205 D N -0.420 119.604 120.400 -0.627 0.000 2.355 205 D HA -0.053 4.586 4.640 -0.001 0.000 0.218 205 D C 1.475 177.731 176.300 -0.074 0.000 1.004 205 D CA 0.807 54.603 54.000 -0.342 0.000 0.880 205 D CB -0.217 40.603 40.800 0.034 0.000 0.911 205 D HN 0.197 nan 8.370 nan 0.000 0.528 206 G N 1.126 109.862 108.800 -0.107 0.000 2.296 206 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.282 206 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.282 206 G C 0.634 175.601 174.900 0.111 0.000 1.014 206 G CA 0.569 45.687 45.100 0.030 0.000 0.812 206 G HN 0.493 nan 8.290 nan 0.000 0.508 207 E N -0.568 119.684 120.200 0.086 0.000 2.511 207 E HA 0.151 4.500 4.350 -0.001 0.000 0.196 207 E C 2.329 179.010 176.600 0.135 0.000 1.066 207 E CA 0.367 56.832 56.400 0.108 0.000 0.871 207 E CB 0.011 29.767 29.700 0.093 0.000 0.863 207 E HN 0.496 nan 8.360 nan 0.000 0.520 208 G N 0.785 109.669 108.800 0.140 0.000 3.042 208 G HA2 0.090 4.049 3.960 -0.001 0.000 0.212 208 G HA3 0.090 4.049 3.960 -0.001 0.000 0.212 208 G C 0.585 175.729 174.900 0.406 0.000 1.166 208 G CA 0.172 45.389 45.100 0.196 0.000 0.767 208 G HN 0.197 nan 8.290 nan 0.000 0.546 209 G N -0.272 108.744 108.800 0.361 0.000 2.521 209 G HA2 0.396 4.355 3.960 -0.001 0.000 0.323 209 G HA3 0.396 4.355 3.960 -0.001 0.000 0.323 209 G C 1.170 176.172 174.900 0.169 0.000 1.211 209 G CA 0.587 45.938 45.100 0.419 0.000 0.979 209 G HN 0.292 nan 8.290 nan 0.000 0.490 210 S N -0.587 114.954 115.700 -0.265 0.000 2.461 210 S HA -0.034 4.436 4.470 -0.001 0.000 0.228 210 S C 1.308 175.852 174.600 -0.093 0.000 1.005 210 S CA 0.619 58.528 58.200 -0.484 0.000 0.942 210 S CB -0.068 62.644 63.200 -0.814 0.000 0.776 210 S HN 0.623 nan 8.310 nan 0.000 0.514 211 R N -0.034 120.463 120.500 -0.007 0.000 3.641 211 R HA -0.119 4.221 4.340 -0.001 0.000 0.286 211 R C 0.175 176.460 176.300 -0.024 0.000 1.153 211 R CA 0.853 56.867 56.100 -0.144 0.000 0.775 211 R CB -2.809 27.313 30.300 -0.297 0.000 1.215 211 R HN 0.538 nan 8.270 nan 0.000 0.474 212 L N -0.145 121.155 121.223 0.128 0.000 2.607 212 L HA 0.015 4.355 4.340 -0.001 0.000 0.228 212 L C 2.121 179.145 176.870 0.257 0.000 1.123 212 L CA 0.802 55.754 54.840 0.186 0.000 0.890 212 L CB 0.083 42.142 42.059 -0.001 0.000 1.103 212 L HN 0.264 nan 8.230 nan 0.000 0.468 213 S N 0.499 116.419 115.700 0.368 0.000 2.392 213 S HA -0.129 4.340 4.470 -0.001 0.000 0.232 213 S C -0.573 174.220 174.600 0.321 0.000 1.041 213 S CA 1.039 59.498 58.200 0.431 0.000 1.026 213 S CB -1.708 61.721 63.200 0.381 0.000 0.845 213 S HN 0.251 nan 8.310 nan 0.000 0.465 214 P HA -0.032 nan 4.420 nan 0.000 0.218 214 P C 0.816 178.293 177.300 0.294 0.000 1.149 214 P CA 1.089 64.249 63.100 0.100 0.000 0.817 214 P CB -0.201 31.267 31.700 -0.387 0.000 0.785 215 Y N -2.315 118.161 120.300 0.295 0.000 2.206 215 Y HA -0.049 4.501 4.550 -0.000 0.000 0.292 215 Y C 2.250 178.218 175.900 0.113 0.000 1.123 215 Y CA 0.887 59.081 58.100 0.155 0.000 1.142 215 Y CB -1.187 37.228 38.460 -0.075 0.000 1.006 215 Y HN -0.131 nan 8.280 nan 0.000 0.518 216 F N -0.217 119.938 119.950 0.342 0.000 2.126 216 F HA -0.288 4.238 4.527 -0.001 0.000 0.299 216 F C 2.557 178.497 175.800 0.233 0.000 1.096 216 F CA 0.709 58.853 58.000 0.240 0.000 1.255 216 F CB -0.563 38.554 39.000 0.194 0.000 0.997 216 F HN 0.035 nan 8.300 nan 0.000 0.479 217 A N -0.064 123.024 122.820 0.447 0.000 1.986 217 A HA -0.185 4.135 4.320 -0.001 0.000 0.220 217 A C 1.911 179.681 177.584 0.309 0.000 1.171 217 A CA 1.546 53.800 52.037 0.362 0.000 0.640 217 A CB -0.867 18.338 19.000 0.342 0.000 0.811 217 A HN 0.473 nan 8.150 nan 0.000 0.451 218 L N -1.777 119.620 121.223 0.290 0.000 2.728 218 L HA 0.290 4.629 4.340 -0.001 0.000 0.238 218 L C 1.435 178.418 176.870 0.189 0.000 1.143 218 L CA 0.332 55.307 54.840 0.225 0.000 0.937 218 L CB 0.012 42.152 42.059 0.135 0.000 1.225 218 L HN 0.547 nan 8.230 nan 0.000 0.507 219 G N 0.267 109.196 108.800 0.214 0.000 2.160 219 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.251 219 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.251 219 G C 0.710 175.707 174.900 0.161 0.000 1.008 219 G CA 0.481 45.689 45.100 0.180 0.000 0.724 219 G HN 0.172 nan 8.290 nan 0.000 0.514 220 V N -0.571 119.437 119.914 0.156 0.000 2.809 220 V HA 0.238 4.358 4.120 -0.001 0.000 0.256 220 V C 1.447 177.584 176.094 0.072 0.000 1.080 220 V CA 1.610 63.980 62.300 0.117 0.000 1.102 220 V CB 0.036 31.963 31.823 0.172 0.000 0.705 220 V HN 0.473 nan 8.190 nan 0.000 0.475 221 L N 0.011 121.278 121.223 0.073 0.000 2.385 221 L HA 0.457 4.797 4.340 -0.001 0.000 0.273 221 L C -0.084 176.920 176.870 0.224 0.000 0.990 221 L CA -0.219 54.630 54.840 0.015 0.000 0.821 221 L CB 2.178 44.053 42.059 -0.307 0.000 1.279 221 L HN 0.103 nan 8.230 nan 0.000 0.412 222 S N 5.152 120.978 115.700 0.210 0.000 2.523 222 S HA 0.324 4.794 4.470 -0.001 0.000 0.275 222 S C -1.391 173.404 174.600 0.325 0.000 1.281 222 S CA -1.245 57.086 58.200 0.218 0.000 1.050 222 S CB 1.102 64.377 63.200 0.126 0.000 0.937 222 S HN 0.516 nan 8.310 nan 0.000 0.492 223 P HA -0.121 nan 4.420 nan 0.000 0.220 223 P C 1.304 178.681 177.300 0.129 0.000 1.148 223 P CA 0.732 63.893 63.100 0.101 0.000 0.803 223 P CB 0.111 31.756 31.700 -0.091 0.000 0.782 224 R N 0.163 120.740 120.500 0.127 0.000 2.075 224 R HA -0.048 4.292 4.340 -0.001 0.000 0.232 224 R C 2.542 178.977 176.300 0.224 0.000 1.126 224 R CA 0.838 57.031 56.100 0.154 0.000 0.963 224 R CB -0.954 29.402 30.300 0.093 0.000 0.858 224 R HN 0.125 nan 8.270 nan 0.000 0.435 225 L N 0.349 121.697 121.223 0.208 0.000 2.046 225 L HA -0.074 4.266 4.340 -0.001 0.000 0.208 225 L C 2.399 179.480 176.870 0.352 0.000 1.077 225 L CA 1.727 56.714 54.840 0.246 0.000 0.747 225 L CB -0.421 41.748 42.059 0.183 0.000 0.896 225 L HN 0.328 nan 8.230 nan 0.000 0.432 226 A N -0.034 123.008 122.820 0.370 0.000 1.883 226 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 226 A C 2.448 180.329 177.584 0.496 0.000 1.186 226 A CA 1.884 54.213 52.037 0.487 0.000 0.624 226 A CB -1.109 18.277 19.000 0.643 0.000 0.822 226 A HN 0.600 nan 8.150 nan 0.000 0.444 227 A N -1.224 121.816 122.820 0.367 0.000 1.902 227 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 227 A C 2.121 179.921 177.584 0.361 0.000 1.181 227 A CA 1.446 53.683 52.037 0.333 0.000 0.623 227 A CB -0.958 18.195 19.000 0.254 0.000 0.818 227 A HN 0.888 nan 8.150 nan 0.000 0.443 228 W N 1.188 122.599 121.300 0.185 0.000 2.335 228 W HA -0.167 4.492 4.660 -0.002 0.000 0.311 228 W C 1.722 178.320 176.519 0.131 0.000 1.213 228 W CA 2.062 59.491 57.345 0.140 0.000 1.274 228 W CB -0.207 29.322 29.460 0.114 0.000 1.148 228 W HN 0.465 nan 8.180 nan 0.000 0.498 229 E N 0.605 120.961 120.200 0.261 0.000 2.051 229 E HA -0.181 4.169 4.350 -0.001 0.000 0.192 229 E C 2.386 179.003 176.600 0.029 0.000 0.991 229 E CA 1.501 57.966 56.400 0.107 0.000 0.799 229 E CB -0.928 28.890 29.700 0.198 0.000 0.748 229 E HN 0.301 nan 8.360 nan 0.000 0.449 230 A N 1.912 124.821 122.820 0.147 0.000 1.883 230 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 230 A C 1.994 179.609 177.584 0.051 0.000 1.186 230 A CA 1.670 53.784 52.037 0.128 0.000 0.624 230 A CB -0.551 18.671 19.000 0.371 0.000 0.822 230 A HN 0.232 nan 8.150 nan 0.000 0.444 231 E N -0.645 119.577 120.200 0.037 0.000 2.268 231 E HA -0.144 4.205 4.350 -0.001 0.000 0.195 231 E C 2.132 178.639 176.600 -0.155 0.000 0.995 231 E CA 0.630 57.008 56.400 -0.035 0.000 0.836 231 E CB -0.162 29.524 29.700 -0.023 0.000 0.763 231 E HN 0.531 nan 8.360 nan 0.000 0.491 232 R N 0.463 120.816 120.500 -0.246 0.000 2.148 232 R HA 0.011 4.351 4.340 -0.001 0.000 0.227 232 R C 2.228 178.438 176.300 -0.150 0.000 1.103 232 R CA 0.600 56.534 56.100 -0.276 0.000 0.983 232 R CB 0.109 30.212 30.300 -0.328 0.000 0.874 232 R HN 0.050 nan 8.270 nan 0.000 0.451 233 R N -0.043 120.393 120.500 -0.107 0.000 2.080 233 R HA 0.076 4.416 4.340 -0.001 0.000 0.222 233 R C 1.108 177.371 176.300 -0.062 0.000 1.107 233 R CA 0.878 56.929 56.100 -0.081 0.000 0.980 233 R CB -0.306 29.943 30.300 -0.086 0.000 0.879 233 R HN 0.304 nan 8.270 nan 0.000 0.439 234 G N 0.056 108.829 108.800 -0.045 0.000 2.804 234 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.230 234 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.230 234 G C 0.140 175.036 174.900 -0.006 0.000 1.386 234 G CA 0.039 45.126 45.100 -0.021 0.000 0.875 234 G HN 0.727 nan 8.290 nan 0.000 0.557 235 G N -1.707 107.099 108.800 0.009 0.000 2.661 235 G HA2 0.305 4.265 3.960 -0.001 0.000 0.685 235 G HA3 0.305 4.265 3.960 -0.001 0.000 0.685 235 G C 0.616 175.544 174.900 0.048 0.000 1.298 235 G CA 0.858 45.968 45.100 0.018 0.000 0.855 235 G HN 1.902 nan 8.290 nan 0.000 0.560 236 E N -0.249 119.983 120.200 0.053 0.000 2.085 236 E HA -0.101 4.248 4.350 -0.001 0.000 0.194 236 E C 2.516 179.193 176.600 0.127 0.000 0.994 236 E CA 2.265 58.714 56.400 0.081 0.000 0.801 236 E CB -0.731 29.009 29.700 0.067 0.000 0.743 236 E HN 1.006 nan 8.360 nan 0.000 0.453 237 G N 0.853 109.721 108.800 0.114 0.000 2.459 237 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.217 237 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.217 237 G C 1.706 176.732 174.900 0.210 0.000 1.183 237 G CA 1.305 46.509 45.100 0.173 0.000 0.776 237 G HN 0.452 nan 8.290 nan 0.000 0.552 238 A N 0.590 123.489 122.820 0.132 0.000 1.908 238 A HA -0.047 4.272 4.320 -0.001 0.000 0.218 238 A C 2.497 180.218 177.584 0.229 0.000 1.181 238 A CA 1.702 53.845 52.037 0.177 0.000 0.627 238 A CB -0.355 18.706 19.000 0.102 0.000 0.818 238 A HN 0.274 nan 8.150 nan 0.000 0.445 239 R N -0.390 120.217 120.500 0.179 0.000 2.091 239 R HA -0.150 4.190 4.340 -0.001 0.000 0.238 239 R C 2.147 178.573 176.300 0.209 0.000 1.136 239 R CA 1.789 57.992 56.100 0.172 0.000 0.959 239 R CB -0.497 29.882 30.300 0.131 0.000 0.856 239 R HN 0.503 nan 8.270 nan 0.000 0.437 240 K N 0.022 120.579 120.400 0.262 0.000 2.062 240 K HA -0.150 4.170 4.320 -0.001 0.000 0.205 240 K C 1.770 178.608 176.600 0.396 0.000 1.051 240 K CA 1.087 57.573 56.287 0.331 0.000 0.941 240 K CB -0.486 32.251 32.500 0.395 0.000 0.719 240 K HN 0.139 nan 8.250 nan 0.000 0.440 241 W N 0.182 121.563 121.300 0.134 0.000 2.358 241 W HA -0.127 4.532 4.660 -0.000 0.000 0.303 241 W C 1.612 178.118 176.519 -0.022 0.000 1.208 241 W CA 1.280 58.537 57.345 -0.146 0.000 1.274 241 W CB -0.327 28.948 29.460 -0.308 0.000 1.138 241 W HN -0.119 nan 8.180 nan 0.000 0.515 242 V N 1.066 121.060 119.914 0.133 0.000 2.515 242 V HA -0.267 3.852 4.120 -0.001 0.000 0.250 242 V C 2.447 178.480 176.094 -0.101 0.000 1.058 242 V CA 1.885 64.162 62.300 -0.039 0.000 1.064 242 V CB -1.497 30.390 31.823 0.105 0.000 0.675 242 V HN 0.282 nan 8.190 nan 0.000 0.461 243 A N -0.361 122.485 122.820 0.043 0.000 1.940 243 A HA -0.199 4.121 4.320 -0.001 0.000 0.219 243 A C 2.165 179.844 177.584 0.159 0.000 1.176 243 A CA 1.636 53.752 52.037 0.131 0.000 0.631 243 A CB -0.329 18.811 19.000 0.234 0.000 0.814 243 A HN 0.520 nan 8.150 nan 0.000 0.446 244 E N 0.103 120.327 120.200 0.041 0.000 2.107 244 E HA -0.063 4.287 4.350 -0.001 0.000 0.191 244 E C 2.016 178.531 176.600 -0.142 0.000 0.982 244 E CA 0.622 57.016 56.400 -0.011 0.000 0.809 244 E CB -0.457 29.165 29.700 -0.129 0.000 0.756 244 E HN 0.684 nan 8.360 nan 0.000 0.459 245 L N 0.371 121.384 121.223 -0.351 0.000 2.083 245 L HA -0.136 4.204 4.340 -0.001 0.000 0.209 245 L C 2.505 179.254 176.870 -0.200 0.000 1.083 245 L CA 0.737 55.330 54.840 -0.413 0.000 0.752 245 L CB -0.381 41.366 42.059 -0.520 0.000 0.899 245 L HN 0.115 nan 8.230 nan 0.000 0.433 246 L N -1.888 119.251 121.223 -0.139 0.000 2.141 246 L HA -0.204 4.136 4.340 -0.001 0.000 0.209 246 L C 2.315 179.257 176.870 0.120 0.000 1.094 246 L CA 1.318 56.130 54.840 -0.047 0.000 0.763 246 L CB -0.405 41.584 42.059 -0.117 0.000 0.908 246 L HN 0.351 nan 8.230 nan 0.000 0.437 247 W N 0.076 121.375 121.300 -0.001 0.000 2.392 247 W HA -0.157 4.502 4.660 -0.001 0.000 0.279 247 W C 2.832 179.311 176.519 -0.068 0.000 1.225 247 W CA 1.059 58.369 57.345 -0.057 0.000 1.233 247 W CB -0.105 29.168 29.460 -0.312 0.000 1.122 247 W HN 0.044 nan 8.180 nan 0.000 0.561 248 R N 0.296 120.828 120.500 0.054 0.000 2.066 248 R HA -0.145 4.195 4.340 -0.001 0.000 0.232 248 R C 1.630 177.824 176.300 -0.176 0.000 1.131 248 R CA 1.891 57.916 56.100 -0.125 0.000 0.955 248 R CB -0.475 29.745 30.300 -0.133 0.000 0.851 248 R HN -0.003 nan 8.270 nan 0.000 0.432 249 D N -0.156 120.300 120.400 0.094 0.000 2.178 249 D HA -0.167 4.473 4.640 -0.001 0.000 0.201 249 D C 1.474 177.897 176.300 0.206 0.000 0.980 249 D CA 0.797 54.967 54.000 0.283 0.000 0.842 249 D CB -0.195 40.804 40.800 0.331 0.000 0.948 249 D HN 0.155 nan 8.370 nan 0.000 0.472 250 F N 1.529 121.422 119.950 -0.094 0.000 2.171 250 F HA -0.142 4.384 4.527 -0.001 0.000 0.300 250 F C 2.290 177.930 175.800 -0.266 0.000 1.090 250 F CA 0.936 58.627 58.000 -0.515 0.000 1.293 250 F CB -0.303 38.377 39.000 -0.535 0.000 1.013 250 F HN -0.176 nan 8.300 nan 0.000 0.486 251 S N -0.564 114.969 115.700 -0.278 0.000 2.368 251 S HA -0.208 4.261 4.470 -0.001 0.000 0.225 251 S C 1.901 176.345 174.600 -0.259 0.000 1.030 251 S CA 1.564 59.549 58.200 -0.357 0.000 0.999 251 S CB -0.749 62.229 63.200 -0.370 0.000 0.844 251 S HN 0.557 nan 8.310 nan 0.000 0.459 252 Y N 0.362 120.656 120.300 -0.010 0.000 2.263 252 Y HA -0.138 4.411 4.550 -0.001 0.000 0.292 252 Y C 2.618 178.525 175.900 0.010 0.000 1.130 252 Y CA 1.312 59.424 58.100 0.020 0.000 1.179 252 Y CB -0.471 38.014 38.460 0.041 0.000 0.998 252 Y HN 0.377 nan 8.280 nan 0.000 0.532 253 H N 0.474 119.557 119.070 0.022 0.000 2.319 253 H HA -0.178 4.377 4.556 -0.001 0.000 0.299 253 H C 1.940 177.296 175.328 0.046 0.000 1.092 253 H CA 2.071 58.140 56.048 0.035 0.000 1.302 253 H CB -0.424 29.223 29.762 -0.191 0.000 1.373 253 H HN 0.218 nan 8.280 nan 0.000 0.497 254 L N -0.598 120.505 121.223 -0.201 0.000 1.994 254 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 254 L C 2.516 179.328 176.870 -0.097 0.000 1.071 254 L CA 1.175 55.907 54.840 -0.180 0.000 0.745 254 L CB -0.514 41.336 42.059 -0.348 0.000 0.892 254 L HN 0.316 nan 8.230 nan 0.000 0.431 255 L N -1.163 120.020 121.223 -0.067 0.000 2.131 255 L HA -0.264 4.075 4.340 -0.001 0.000 0.210 255 L C 2.388 179.224 176.870 -0.056 0.000 1.092 255 L CA 1.681 56.498 54.840 -0.037 0.000 0.759 255 L CB -0.680 41.409 42.059 0.050 0.000 0.903 255 L HN 0.196 nan 8.230 nan 0.000 0.435 256 Y N -0.713 119.487 120.300 -0.166 0.000 2.200 256 Y HA -0.245 4.304 4.550 -0.001 0.000 0.290 256 Y C 2.432 178.056 175.900 -0.461 0.000 1.137 256 Y CA 2.193 60.133 58.100 -0.267 0.000 1.163 256 Y CB -0.211 38.065 38.460 -0.306 0.000 0.988 256 Y HN 0.402 nan 8.280 nan 0.000 0.518 257 H N -2.049 116.687 119.070 -0.557 0.000 2.448 257 H HA 0.145 4.701 4.556 -0.001 0.000 0.292 257 H C -0.178 174.564 175.328 -0.978 0.000 1.035 257 H CA 1.202 56.716 56.048 -0.891 0.000 1.349 257 H CB -0.071 28.946 29.762 -1.242 0.000 1.425 257 H HN 0.197 nan 8.280 nan 0.000 0.539 258 F N -0.056 119.728 119.950 -0.276 0.000 2.449 258 F HA 0.298 4.824 4.527 -0.001 0.000 0.329 258 F C -1.919 173.454 175.800 -0.711 0.000 1.245 258 F CA -2.185 55.437 58.000 -0.631 0.000 1.193 258 F CB 1.475 39.958 39.000 -0.863 0.000 1.425 258 F HN -0.041 nan 8.300 nan 0.000 0.544 259 P HA -0.215 nan 4.420 nan 0.000 0.216 259 P C 1.697 178.966 177.300 -0.051 0.000 1.150 259 P CA 1.624 64.650 63.100 -0.123 0.000 0.843 259 P CB -0.079 31.604 31.700 -0.029 0.000 0.787 260 W N 0.677 122.037 121.300 0.100 0.000 2.538 260 W HA -0.060 4.599 4.660 -0.000 0.000 0.254 260 W C 1.395 177.997 176.519 0.139 0.000 1.249 260 W CA 0.740 58.151 57.345 0.110 0.000 1.253 260 W CB -1.877 27.644 29.460 0.102 0.000 1.130 260 W HN 0.105 nan 8.180 nan 0.000 0.618 261 M N 0.636 120.078 119.600 -0.262 0.000 2.557 261 M HA 0.248 4.727 4.480 -0.001 0.000 0.259 261 M C 2.000 178.377 176.300 0.129 0.000 1.086 261 M CA 1.883 57.098 55.300 -0.142 0.000 1.096 261 M CB -0.674 31.693 32.600 -0.387 0.000 1.424 261 M HN -0.105 nan 8.290 nan 0.000 0.488 262 A N 0.785 123.691 122.820 0.143 0.000 2.016 262 A HA -0.072 4.248 4.320 -0.001 0.000 0.217 262 A C 2.130 179.875 177.584 0.268 0.000 1.162 262 A CA 1.515 53.671 52.037 0.199 0.000 0.662 262 A CB -0.460 18.608 19.000 0.113 0.000 0.812 262 A HN 0.708 nan 8.150 nan 0.000 0.450 263 E N -0.360 120.016 120.200 0.292 0.000 2.127 263 E HA -0.007 4.342 4.350 -0.001 0.000 0.191 263 E C 0.650 177.519 176.600 0.448 0.000 0.964 263 E CA 0.146 56.708 56.400 0.269 0.000 0.832 263 E CB 0.170 30.009 29.700 0.231 0.000 0.790 263 E HN 0.713 nan 8.360 nan 0.000 0.465 264 R N 0.155 120.984 120.500 0.548 0.000 2.836 264 R HA 0.514 4.853 4.340 -0.001 0.000 0.269 264 R C -2.999 173.544 176.300 0.406 0.000 1.010 264 R CA -2.295 54.158 56.100 0.589 0.000 0.930 264 R CB 0.826 31.394 30.300 0.446 0.000 1.218 264 R HN -0.242 nan 8.270 nan 0.000 0.473 265 P HA 0.010 nan 4.420 nan 0.000 0.267 265 P C 0.587 177.991 177.300 0.175 0.000 1.200 265 P CA -0.103 62.981 63.100 -0.026 0.000 0.772 265 P CB 0.582 32.285 31.700 0.006 0.000 0.855 266 L N 0.812 122.035 121.223 -0.000 0.000 2.083 266 L HA -0.125 4.214 4.340 -0.001 0.000 0.209 266 L C 1.003 177.981 176.870 0.180 0.000 1.083 266 L CA 1.386 56.246 54.840 0.033 0.000 0.752 266 L CB -0.339 41.596 42.059 -0.207 0.000 0.899 266 L HN 0.444 nan 8.230 nan 0.000 0.433 267 D N -0.593 119.859 120.400 0.087 0.000 2.365 267 D HA 0.090 4.729 4.640 -0.001 0.000 0.237 267 D C -1.664 174.767 176.300 0.217 0.000 1.190 267 D CA -2.167 51.913 54.000 0.133 0.000 0.867 267 D CB 1.392 42.249 40.800 0.095 0.000 1.050 267 D HN -0.117 nan 8.370 nan 0.000 0.491 268 P HA -0.176 nan 4.420 nan 0.000 0.217 268 P C 0.503 177.892 177.300 0.148 0.000 1.151 268 P CA 1.189 64.365 63.100 0.127 0.000 0.849 268 P CB -0.052 31.677 31.700 0.047 0.000 0.787 269 R N -1.788 118.815 120.500 0.171 0.000 2.858 269 R HA 0.104 4.444 4.340 -0.001 0.000 0.228 269 R C 0.108 176.409 176.300 0.002 0.000 1.471 269 R CA 0.658 56.803 56.100 0.075 0.000 1.342 269 R CB -1.257 29.071 30.300 0.046 0.000 1.152 269 R HN 0.190 nan 8.270 nan 0.000 0.521 270 F N -0.885 119.111 119.950 0.076 0.000 3.031 270 F HA 0.188 4.715 4.527 -0.001 0.000 0.365 270 F C 1.479 177.390 175.800 0.185 0.000 1.128 270 F CA -0.486 57.596 58.000 0.135 0.000 1.068 270 F CB 0.553 39.624 39.000 0.118 0.000 1.280 270 F HN -0.046 nan 8.300 nan 0.000 0.529 271 Q N 0.775 120.745 119.800 0.283 0.000 2.234 271 Q HA -0.056 4.283 4.340 -0.001 0.000 0.206 271 Q C 1.178 177.309 176.000 0.217 0.000 0.980 271 Q CA 1.437 57.395 55.803 0.258 0.000 0.869 271 Q CB -0.065 28.769 28.738 0.159 0.000 0.912 271 Q HN 0.289 nan 8.270 nan 0.000 0.436 272 A N -0.078 122.807 122.820 0.109 0.000 3.113 272 A HA 0.308 4.627 4.320 -0.001 0.000 0.307 272 A C -0.935 176.586 177.584 -0.106 0.000 1.025 272 A CA -0.587 51.462 52.037 0.020 0.000 1.012 272 A CB -0.151 18.829 19.000 -0.034 0.000 1.085 272 A HN 0.237 nan 8.150 nan 0.000 0.519 273 F N 2.072 121.837 119.950 -0.308 0.000 2.399 273 F HA 0.450 4.977 4.527 -0.001 0.000 0.342 273 F C -1.570 173.774 175.800 -0.760 0.000 1.106 273 F CA -1.816 55.780 58.000 -0.673 0.000 1.196 273 F CB 1.244 39.602 39.000 -1.070 0.000 1.163 273 F HN 0.219 nan 8.300 nan 0.000 0.547 274 P HA -0.057 nan 4.420 nan 0.000 0.235 274 P C -1.204 176.046 177.300 -0.084 0.000 1.765 274 P CA 0.077 62.935 63.100 -0.403 0.000 1.034 274 P CB -0.777 30.653 31.700 -0.449 0.000 1.984 275 W N 1.703 123.172 121.300 0.282 0.000 2.565 275 W HA 0.147 4.806 4.660 -0.001 0.000 0.325 275 W C 0.704 177.300 176.519 0.129 0.000 1.408 275 W CA -0.827 56.673 57.345 0.258 0.000 1.350 275 W CB 0.404 29.993 29.460 0.215 0.000 1.426 275 W HN 0.217 nan 8.180 nan 0.000 0.538 276 Q N 2.705 122.730 119.800 0.374 0.000 2.389 276 Q HA 0.031 4.370 4.340 -0.001 0.000 0.244 276 Q C -0.036 176.070 176.000 0.176 0.000 1.056 276 Q CA -0.332 55.598 55.803 0.213 0.000 0.908 276 Q CB 0.684 29.526 28.738 0.172 0.000 1.273 276 Q HN 0.257 nan 8.270 nan 0.000 0.471 277 E N 3.347 123.622 120.200 0.126 0.000 1.865 277 E HA -0.042 4.308 4.350 -0.001 0.000 0.269 277 E C -1.115 175.523 176.600 0.064 0.000 1.177 277 E CA 0.017 56.456 56.400 0.065 0.000 0.932 277 E CB 0.139 29.845 29.700 0.010 0.000 1.066 277 E HN 0.336 nan 8.360 nan 0.000 0.405 278 D N 4.157 124.615 120.400 0.097 0.000 2.460 278 D HA 0.023 4.663 4.640 -0.001 0.000 0.232 278 D C 0.564 176.951 176.300 0.144 0.000 1.079 278 D CA -0.266 53.799 54.000 0.108 0.000 0.864 278 D CB 1.102 41.975 40.800 0.121 0.000 1.048 278 D HN 0.453 nan 8.370 nan 0.000 0.523 279 E N 3.453 123.721 120.200 0.113 0.000 2.147 279 E HA -0.228 4.121 4.350 -0.001 0.000 0.199 279 E C 1.655 178.384 176.600 0.215 0.000 1.005 279 E CA 1.882 58.373 56.400 0.152 0.000 0.810 279 E CB -0.027 29.728 29.700 0.091 0.000 0.736 279 E HN 0.582 nan 8.360 nan 0.000 0.460 280 A N 0.119 123.039 122.820 0.167 0.000 1.877 280 A HA -0.124 4.195 4.320 -0.001 0.000 0.216 280 A C 2.342 180.047 177.584 0.201 0.000 1.186 280 A CA 1.462 53.596 52.037 0.162 0.000 0.620 280 A CB -0.679 18.395 19.000 0.124 0.000 0.822 280 A HN 0.342 nan 8.150 nan 0.000 0.443 281 L N -2.151 119.203 121.223 0.219 0.000 2.056 281 L HA -0.122 4.218 4.340 -0.001 0.000 0.207 281 L C 2.464 179.536 176.870 0.336 0.000 1.078 281 L CA 1.370 56.360 54.840 0.251 0.000 0.749 281 L CB -0.533 41.658 42.059 0.221 0.000 0.901 281 L HN 0.489 nan 8.230 nan 0.000 0.433 282 F N 0.927 121.004 119.950 0.212 0.000 2.091 282 F HA -0.309 4.218 4.527 -0.001 0.000 0.299 282 F C 2.717 178.748 175.800 0.385 0.000 1.103 282 F CA 1.716 59.886 58.000 0.283 0.000 1.228 282 F CB -0.221 38.879 39.000 0.167 0.000 0.984 282 F HN 0.086 nan 8.300 nan 0.000 0.477 283 Q N 0.358 120.300 119.800 0.236 0.000 2.079 283 Q HA -0.117 4.222 4.340 -0.001 0.000 0.200 283 Q C 2.564 178.644 176.000 0.133 0.000 0.974 283 Q CA 1.424 57.313 55.803 0.144 0.000 0.840 283 Q CB -1.130 27.715 28.738 0.178 0.000 0.898 283 Q HN 0.543 nan 8.270 nan 0.000 0.430 284 A N 0.208 123.136 122.820 0.179 0.000 1.883 284 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 284 A C 1.903 179.597 177.584 0.182 0.000 1.186 284 A CA 1.627 53.767 52.037 0.172 0.000 0.624 284 A CB -1.141 17.988 19.000 0.216 0.000 0.822 284 A HN 0.557 nan 8.150 nan 0.000 0.444 285 W N -0.897 120.456 121.300 0.087 0.000 2.378 285 W HA -0.197 4.463 4.660 -0.001 0.000 0.313 285 W C 2.073 178.609 176.519 0.027 0.000 1.197 285 W CA 1.922 59.327 57.345 0.100 0.000 1.304 285 W CB -0.810 28.745 29.460 0.158 0.000 1.148 285 W HN 0.432 nan 8.180 nan 0.000 0.494 286 Y N 1.709 121.826 120.300 -0.304 0.000 2.151 286 Y HA -0.267 4.282 4.550 -0.001 0.000 0.284 286 Y C 2.157 177.878 175.900 -0.298 0.000 1.166 286 Y CA 2.585 60.372 58.100 -0.521 0.000 1.163 286 Y CB -0.393 37.762 38.460 -0.509 0.000 0.974 286 Y HN -0.033 nan 8.280 nan 0.000 0.511 287 E N -0.496 119.571 120.200 -0.221 0.000 2.478 287 E HA 0.140 4.489 4.350 -0.001 0.000 0.194 287 E C 1.365 177.787 176.600 -0.296 0.000 1.045 287 E CA 0.761 56.970 56.400 -0.318 0.000 0.868 287 E CB -0.311 29.303 29.700 -0.143 0.000 0.885 287 E HN 0.507 nan 8.360 nan 0.000 0.505 288 G N 2.507 111.149 108.800 -0.263 0.000 2.289 288 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.280 288 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.280 288 G C 0.246 175.088 174.900 -0.096 0.000 1.089 288 G CA 0.123 45.095 45.100 -0.214 0.000 0.939 288 G HN 0.017 nan 8.290 nan 0.000 0.499 289 K N 0.479 120.868 120.400 -0.019 0.000 3.045 289 K HA 0.242 4.562 4.320 -0.001 0.000 0.211 289 K C 1.655 178.321 176.600 0.110 0.000 1.141 289 K CA 0.487 56.802 56.287 0.046 0.000 1.036 289 K CB 0.416 32.939 32.500 0.038 0.000 0.851 289 K HN 0.568 nan 8.250 nan 0.000 0.462 290 T N -3.776 110.853 114.554 0.125 0.000 3.065 290 T HA 0.114 4.464 4.350 -0.001 0.000 0.252 290 T C 1.396 176.214 174.700 0.197 0.000 1.099 290 T CA 0.806 63.032 62.100 0.210 0.000 1.063 290 T CB 0.222 69.265 68.868 0.291 0.000 0.948 290 T HN 0.393 nan 8.240 nan 0.000 0.506 291 G N 0.771 109.682 108.800 0.184 0.000 2.199 291 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.254 291 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.254 291 G C 0.070 175.130 174.900 0.266 0.000 0.982 291 G CA -0.048 45.211 45.100 0.265 0.000 0.632 291 G HN 0.729 nan 8.290 nan 0.000 0.529 292 V N 1.916 121.864 119.914 0.056 0.000 2.368 292 V HA 0.278 4.398 4.120 -0.001 0.000 0.266 292 V C -0.177 175.723 176.094 -0.323 0.000 1.045 292 V CA -0.665 61.589 62.300 -0.077 0.000 0.899 292 V CB 1.310 32.985 31.823 -0.247 0.000 1.006 292 V HN 0.048 nan 8.190 nan 0.000 0.470 293 P HA -0.254 nan 4.420 nan 0.000 0.218 293 P C 1.799 178.775 177.300 -0.540 0.000 1.165 293 P CA 1.311 63.908 63.100 -0.839 0.000 0.922 293 P CB 0.190 31.562 31.700 -0.547 0.000 0.794 294 L N -0.593 120.538 121.223 -0.152 0.000 1.955 294 L HA -0.170 4.170 4.340 -0.001 0.000 0.213 294 L C 2.274 179.126 176.870 -0.030 0.000 1.072 294 L CA 1.965 56.877 54.840 0.120 0.000 0.755 294 L CB -1.312 40.910 42.059 0.273 0.000 0.888 294 L HN -0.185 nan 8.230 nan 0.000 0.432 295 V N 0.037 119.845 119.914 -0.177 0.000 2.282 295 V HA -0.348 3.772 4.120 -0.001 0.000 0.249 295 V C 2.281 178.243 176.094 -0.220 0.000 1.057 295 V CA 2.129 64.301 62.300 -0.213 0.000 1.032 295 V CB -1.022 30.518 31.823 -0.471 0.000 0.645 295 V HN 0.469 nan 8.190 nan 0.000 0.447 296 D N 0.377 120.602 120.400 -0.293 0.000 2.149 296 D HA -0.123 4.516 4.640 -0.001 0.000 0.198 296 D C 2.164 178.284 176.300 -0.300 0.000 0.990 296 D CA 1.605 55.434 54.000 -0.286 0.000 0.839 296 D CB -0.390 40.212 40.800 -0.329 0.000 0.948 296 D HN 0.462 nan 8.370 nan 0.000 0.460 297 A N 0.689 123.285 122.820 -0.372 0.000 1.898 297 A HA 0.030 4.349 4.320 -0.001 0.000 0.216 297 A C 2.268 179.607 177.584 -0.408 0.000 1.181 297 A CA 1.996 53.750 52.037 -0.470 0.000 0.620 297 A CB -0.841 17.660 19.000 -0.833 0.000 0.819 297 A HN 0.228 nan 8.150 nan 0.000 0.442 298 A N -0.718 122.022 122.820 -0.132 0.000 1.858 298 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 298 A C 2.141 179.614 177.584 -0.185 0.000 1.190 298 A CA 2.093 54.149 52.037 0.032 0.000 0.617 298 A CB -0.506 18.582 19.000 0.146 0.000 0.827 298 A HN 0.406 nan 8.150 nan 0.000 0.443 299 M N -0.468 118.997 119.600 -0.225 0.000 2.213 299 M HA -0.070 4.409 4.480 -0.001 0.000 0.263 299 M C 2.098 178.251 176.300 -0.245 0.000 1.062 299 M CA 1.281 56.402 55.300 -0.298 0.000 1.105 299 M CB -1.250 31.105 32.600 -0.410 0.000 1.385 299 M HN 0.414 nan 8.290 nan 0.000 0.417 300 R N -0.223 120.117 120.500 -0.265 0.000 2.073 300 R HA -0.116 4.223 4.340 -0.001 0.000 0.229 300 R C 2.180 178.264 176.300 -0.360 0.000 1.120 300 R CA 1.283 57.250 56.100 -0.222 0.000 0.967 300 R CB -0.277 29.949 30.300 -0.123 0.000 0.862 300 R HN 0.504 nan 8.270 nan 0.000 0.436 301 E N 0.981 120.750 120.200 -0.720 0.000 2.072 301 E HA -0.199 4.150 4.350 -0.001 0.000 0.191 301 E C 1.933 178.138 176.600 -0.658 0.000 0.985 301 E CA 0.791 56.407 56.400 -1.306 0.000 0.801 301 E CB 0.033 28.745 29.700 -1.647 0.000 0.750 301 E HN 0.098 nan 8.360 nan 0.000 0.452 302 L N 1.349 122.288 121.223 -0.474 0.000 2.012 302 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 302 L C 2.223 178.865 176.870 -0.380 0.000 1.073 302 L CA 1.994 56.579 54.840 -0.426 0.000 0.748 302 L CB -0.778 40.981 42.059 -0.499 0.000 0.891 302 L HN 0.287 nan 8.230 nan 0.000 0.431 303 H N -0.921 117.930 119.070 -0.366 0.000 2.389 303 H HA 0.003 4.559 4.556 -0.001 0.000 0.299 303 H C 1.997 177.209 175.328 -0.194 0.000 1.081 303 H CA 1.436 57.315 56.048 -0.282 0.000 1.345 303 H CB 0.106 29.694 29.762 -0.289 0.000 1.393 303 H HN 0.530 nan 8.280 nan 0.000 0.520 304 A N 0.196 122.968 122.820 -0.080 0.000 1.975 304 A HA -0.073 4.246 4.320 -0.001 0.000 0.215 304 A C 2.432 179.988 177.584 -0.048 0.000 1.170 304 A CA 1.657 53.675 52.037 -0.032 0.000 0.656 304 A CB -0.223 18.811 19.000 0.055 0.000 0.821 304 A HN 0.527 nan 8.150 nan 0.000 0.449 305 T N -6.182 108.292 114.554 -0.133 0.000 2.964 305 T HA 0.421 4.770 4.350 -0.001 0.000 0.249 305 T C 1.431 176.070 174.700 -0.101 0.000 1.000 305 T CA 1.159 63.210 62.100 -0.081 0.000 0.992 305 T CB 0.275 69.113 68.868 -0.050 0.000 1.087 305 T HN 1.653 nan 8.240 nan 0.000 0.489 306 G N 1.182 109.887 108.800 -0.159 0.000 2.143 306 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.249 306 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.249 306 G C -0.197 174.637 174.900 -0.110 0.000 0.981 306 G CA 0.262 45.259 45.100 -0.171 0.000 0.665 306 G HN 0.740 nan 8.290 nan 0.000 0.528 307 F N -0.767 119.035 119.950 -0.247 0.000 2.599 307 F HA 0.827 5.354 4.527 -0.000 0.000 0.311 307 F C -1.148 174.538 175.800 -0.191 0.000 1.076 307 F CA -1.549 56.331 58.000 -0.199 0.000 0.937 307 F CB 1.891 40.797 39.000 -0.157 0.000 1.282 307 F HN 0.172 nan 8.300 nan 0.000 0.460 308 L N 3.645 124.213 121.223 -1.092 0.000 2.565 308 L HA 0.432 4.772 4.340 -0.001 0.000 0.261 308 L C -0.663 175.741 176.870 -0.776 0.000 0.932 308 L CA -0.374 54.088 54.840 -0.630 0.000 0.878 308 L CB 2.127 43.952 42.059 -0.390 0.000 1.333 308 L HN 0.726 nan 8.230 nan 0.000 0.409 309 S N 2.193 117.664 115.700 -0.382 0.000 2.569 309 S HA 0.023 4.492 4.470 -0.001 0.000 0.274 309 S C 0.974 175.403 174.600 -0.286 0.000 1.353 309 S CA 0.613 58.660 58.200 -0.254 0.000 1.023 309 S CB 0.402 63.473 63.200 -0.216 0.000 0.876 309 S HN 0.778 nan 8.310 nan 0.000 0.540 310 N N 1.150 119.720 118.700 -0.217 0.000 2.120 310 N HA -0.167 4.572 4.740 -0.001 0.000 0.188 310 N C 1.860 177.215 175.510 -0.259 0.000 1.024 310 N CA 1.524 54.443 53.050 -0.218 0.000 0.852 310 N CB -0.327 38.045 38.487 -0.192 0.000 1.003 310 N HN 0.693 nan 8.380 nan 0.000 0.424 311 R N 0.529 120.844 120.500 -0.308 0.000 2.081 311 R HA 0.103 4.443 4.340 -0.001 0.000 0.235 311 R C 1.926 177.997 176.300 -0.382 0.000 1.131 311 R CA 1.716 57.582 56.100 -0.390 0.000 0.960 311 R CB -1.073 28.947 30.300 -0.467 0.000 0.856 311 R HN 0.271 nan 8.270 nan 0.000 0.436 312 A N 0.742 123.352 122.820 -0.351 0.000 1.902 312 A HA -0.146 4.174 4.320 -0.001 0.000 0.217 312 A C 2.199 179.692 177.584 -0.152 0.000 1.181 312 A CA 1.631 53.516 52.037 -0.253 0.000 0.623 312 A CB -0.476 18.378 19.000 -0.243 0.000 0.818 312 A HN 0.400 nan 8.150 nan 0.000 0.443 313 R N -0.328 120.086 120.500 -0.143 0.000 2.081 313 R HA -0.166 4.173 4.340 -0.001 0.000 0.235 313 R C 2.369 178.516 176.300 -0.255 0.000 1.131 313 R CA 1.851 57.917 56.100 -0.057 0.000 0.960 313 R CB -0.627 29.664 30.300 -0.015 0.000 0.856 313 R HN 0.850 nan 8.270 nan 0.000 0.436 314 M N -0.405 119.020 119.600 -0.292 0.000 2.394 314 M HA -0.013 4.467 4.480 -0.001 0.000 0.264 314 M C 1.343 177.404 176.300 -0.398 0.000 1.073 314 M CA 1.518 56.620 55.300 -0.330 0.000 1.111 314 M CB -0.201 32.256 32.600 -0.238 0.000 1.401 314 M HN -0.048 nan 8.290 nan 0.000 0.448 315 N N 1.585 120.039 118.700 -0.410 0.000 2.132 315 N HA 0.058 4.798 4.740 -0.001 0.000 0.187 315 N C 2.027 177.488 175.510 -0.081 0.000 1.038 315 N CA 1.735 54.602 53.050 -0.306 0.000 0.846 315 N CB -0.263 38.067 38.487 -0.262 0.000 1.012 315 N HN 0.482 nan 8.380 nan 0.000 0.429 316 A N 1.059 123.865 122.820 -0.022 0.000 1.978 316 A HA -0.011 4.309 4.320 -0.001 0.000 0.220 316 A C 2.284 179.996 177.584 0.214 0.000 1.170 316 A CA 1.938 54.091 52.037 0.194 0.000 0.636 316 A CB -0.565 18.582 19.000 0.245 0.000 0.810 316 A HN 0.365 nan 8.150 nan 0.000 0.448 317 A N -1.062 121.581 122.820 -0.294 0.000 1.874 317 A HA -0.137 4.182 4.320 -0.001 0.000 0.214 317 A C 2.190 179.401 177.584 -0.621 0.000 1.189 317 A CA 1.565 53.035 52.037 -0.945 0.000 0.615 317 A CB -0.544 17.415 19.000 -1.734 0.000 0.830 317 A HN 0.601 nan 8.150 nan 0.000 0.443 318 Q N -1.717 117.859 119.800 -0.373 0.000 2.119 318 Q HA -0.170 4.169 4.340 -0.001 0.000 0.201 318 Q C 1.819 177.663 176.000 -0.259 0.000 0.972 318 Q CA 1.522 57.164 55.803 -0.269 0.000 0.847 318 Q CB -0.242 28.447 28.738 -0.081 0.000 0.903 318 Q HN 0.619 nan 8.270 nan 0.000 0.433 319 F N 0.835 120.602 119.950 -0.305 0.000 2.091 319 F HA -0.257 4.270 4.527 -0.001 0.000 0.299 319 F C 2.076 177.740 175.800 -0.226 0.000 1.103 319 F CA 1.799 59.598 58.000 -0.334 0.000 1.228 319 F CB -0.531 38.433 39.000 -0.060 0.000 0.984 319 F HN 0.154 nan 8.300 nan 0.000 0.477 320 A N -0.655 122.062 122.820 -0.173 0.000 1.933 320 A HA -0.114 4.206 4.320 -0.001 0.000 0.218 320 A C 2.283 179.684 177.584 -0.305 0.000 1.175 320 A CA 1.995 53.770 52.037 -0.437 0.000 0.628 320 A CB -1.238 17.145 19.000 -1.029 0.000 0.814 320 A HN 0.294 nan 8.150 nan 0.000 0.444 321 V N -0.377 119.380 119.914 -0.261 0.000 2.379 321 V HA -0.145 3.975 4.120 -0.001 0.000 0.243 321 V C 2.381 178.351 176.094 -0.206 0.000 1.035 321 V CA 2.142 64.296 62.300 -0.244 0.000 1.035 321 V CB -0.465 31.208 31.823 -0.249 0.000 0.673 321 V HN 0.516 nan 8.190 nan 0.000 0.457 322 K N -1.147 119.015 120.400 -0.396 0.000 2.128 322 K HA 0.043 4.363 4.320 -0.001 0.000 0.202 322 K C 2.036 178.538 176.600 -0.164 0.000 1.050 322 K CA 0.994 56.906 56.287 -0.624 0.000 0.966 322 K CB -0.132 31.857 32.500 -0.851 0.000 0.759 322 K HN 0.613 nan 8.250 nan 0.000 0.454 323 H N 0.476 119.340 119.070 -0.342 0.000 2.306 323 H HA 0.084 4.639 4.556 -0.001 0.000 0.307 323 H C 1.994 177.176 175.328 -0.243 0.000 1.061 323 H CA 0.692 56.534 56.048 -0.343 0.000 1.359 323 H CB 0.211 29.512 29.762 -0.767 0.000 1.407 323 H HN -0.037 nan 8.280 nan 0.000 0.517 324 L N 0.810 121.929 121.223 -0.174 0.000 2.492 324 L HA 0.003 4.342 4.340 -0.001 0.000 0.223 324 L C 0.655 177.575 176.870 0.083 0.000 1.132 324 L CA 0.179 54.994 54.840 -0.042 0.000 0.850 324 L CB 0.035 42.066 42.059 -0.047 0.000 0.966 324 L HN 0.346 nan 8.230 nan 0.000 0.454 325 L N -0.848 120.455 121.223 0.134 0.000 4.367 325 L HA -0.257 4.082 4.340 -0.001 0.000 0.424 325 L C 0.255 177.336 176.870 0.351 0.000 1.152 325 L CA 0.112 55.184 54.840 0.387 0.000 0.974 325 L CB -1.882 40.445 42.059 0.446 0.000 2.012 325 L HN 0.230 nan 8.230 nan 0.000 0.922 326 L N 2.120 123.395 121.223 0.087 0.000 2.490 326 L HA 0.166 4.506 4.340 -0.001 0.000 0.274 326 L C -1.238 175.514 176.870 -0.197 0.000 1.201 326 L CA -1.333 53.510 54.840 0.006 0.000 0.869 326 L CB -0.101 41.935 42.059 -0.038 0.000 1.123 326 L HN -0.125 nan 8.230 nan 0.000 0.484 327 P HA -0.120 nan 4.420 nan 0.000 0.263 327 P C 0.479 177.392 177.300 -0.645 0.000 1.195 327 P CA -0.138 62.631 63.100 -0.552 0.000 0.762 327 P CB 0.399 31.911 31.700 -0.313 0.000 0.799 328 W N 5.617 126.380 121.300 -0.894 0.000 2.338 328 W HA -0.127 4.532 4.660 -0.001 0.000 0.304 328 W C 1.168 177.335 176.519 -0.587 0.000 1.212 328 W CA 0.818 57.762 57.345 -0.667 0.000 1.264 328 W CB -1.544 27.604 29.460 -0.519 0.000 1.142 328 W HN 0.292 nan 8.180 nan 0.000 0.512 329 K N 0.593 120.126 120.400 -1.444 0.000 2.034 329 K HA -0.253 4.066 4.320 -0.001 0.000 0.214 329 K C 2.478 178.670 176.600 -0.680 0.000 1.051 329 K CA 2.558 58.131 56.287 -1.190 0.000 0.931 329 K CB -0.443 31.388 32.500 -1.115 0.000 0.715 329 K HN 0.068 nan 8.250 nan 0.000 0.446 330 R N 0.462 120.615 120.500 -0.578 0.000 2.075 330 R HA -0.115 4.225 4.340 -0.001 0.000 0.232 330 R C 2.325 178.454 176.300 -0.286 0.000 1.126 330 R CA 1.631 57.474 56.100 -0.428 0.000 0.963 330 R CB -0.296 29.701 30.300 -0.504 0.000 0.858 330 R HN 0.271 nan 8.270 nan 0.000 0.435 331 C N 1.032 120.129 119.300 -0.339 0.000 2.425 331 C HA -0.081 4.378 4.460 -0.001 0.000 0.277 331 C C 2.487 177.111 174.990 -0.611 0.000 1.280 331 C CA 1.171 60.019 59.018 -0.284 0.000 1.744 331 C CB -0.740 26.572 27.740 -0.715 0.000 1.989 331 C HN 0.685 nan 8.230 nan 0.000 0.491 332 E N 1.879 121.455 120.200 -1.041 0.000 2.106 332 E HA -0.195 4.155 4.350 -0.001 0.000 0.192 332 E C 1.615 177.993 176.600 -0.371 0.000 0.984 332 E CA 1.793 57.555 56.400 -1.064 0.000 0.806 332 E CB -0.518 28.654 29.700 -0.881 0.000 0.750 332 E HN 0.569 nan 8.360 nan 0.000 0.458 333 E N 0.384 120.383 120.200 -0.336 0.000 2.047 333 E HA -0.025 4.325 4.350 -0.001 0.000 0.191 333 E C 2.025 178.390 176.600 -0.392 0.000 0.987 333 E CA 1.663 57.842 56.400 -0.367 0.000 0.799 333 E CB -0.453 29.048 29.700 -0.331 0.000 0.752 333 E HN 0.419 nan 8.360 nan 0.000 0.449 334 A N -0.239 122.545 122.820 -0.059 0.000 1.933 334 A HA -0.165 4.154 4.320 -0.001 0.000 0.218 334 A C 2.052 179.819 177.584 0.304 0.000 1.175 334 A CA 1.132 53.297 52.037 0.212 0.000 0.628 334 A CB -0.766 18.530 19.000 0.494 0.000 0.814 334 A HN 0.380 nan 8.150 nan 0.000 0.444 335 F N 0.227 120.278 119.950 0.169 0.000 2.113 335 F HA -0.107 4.420 4.527 -0.001 0.000 0.297 335 F C 2.417 178.287 175.800 0.117 0.000 1.103 335 F CA 1.920 60.060 58.000 0.234 0.000 1.248 335 F CB -0.268 39.034 39.000 0.503 0.000 0.999 335 F HN 0.186 nan 8.300 nan 0.000 0.475 336 R N -0.701 119.920 120.500 0.203 0.000 2.091 336 R HA -0.195 4.145 4.340 -0.001 0.000 0.238 336 R C 2.162 178.529 176.300 0.112 0.000 1.136 336 R CA 2.065 58.234 56.100 0.114 0.000 0.959 336 R CB -0.637 29.699 30.300 0.060 0.000 0.856 336 R HN 0.474 nan 8.270 nan 0.000 0.437 337 H N -0.645 118.461 119.070 0.060 0.000 2.489 337 H HA -0.061 4.495 4.556 -0.001 0.000 0.293 337 H C 1.657 176.970 175.328 -0.026 0.000 1.066 337 H CA 0.833 56.900 56.048 0.032 0.000 1.305 337 H CB 0.190 29.986 29.762 0.058 0.000 1.386 337 H HN 0.221 nan 8.280 nan 0.000 0.551 338 L N 0.578 121.806 121.223 0.008 0.000 2.529 338 L HA 0.123 4.463 4.340 -0.001 0.000 0.223 338 L C 0.027 176.771 176.870 -0.209 0.000 1.113 338 L CA -0.033 54.703 54.840 -0.173 0.000 0.861 338 L CB 0.433 42.250 42.059 -0.402 0.000 1.012 338 L HN 0.132 nan 8.230 nan 0.000 0.461 339 L N 0.296 121.424 121.223 -0.158 0.000 2.276 339 L HA 0.165 4.505 4.340 -0.001 0.000 0.286 339 L C 1.120 177.956 176.870 -0.057 0.000 1.061 339 L CA -0.351 54.401 54.840 -0.147 0.000 0.807 339 L CB 1.755 43.736 42.059 -0.130 0.000 1.177 339 L HN 0.105 nan 8.230 nan 0.000 0.429 340 L N 1.858 123.019 121.223 -0.103 0.000 2.191 340 L HA -0.171 4.169 4.340 -0.001 0.000 0.212 340 L C 1.327 178.192 176.870 -0.008 0.000 1.103 340 L CA 1.032 55.780 54.840 -0.154 0.000 0.769 340 L CB -0.286 41.497 42.059 -0.460 0.000 0.908 340 L HN 0.806 nan 8.230 nan 0.000 0.438 341 D N -0.752 119.672 120.400 0.040 0.000 2.342 341 D HA 0.038 4.677 4.640 -0.001 0.000 0.221 341 D C 1.014 177.407 176.300 0.154 0.000 1.101 341 D CA -0.218 53.869 54.000 0.146 0.000 0.837 341 D CB -0.370 40.532 40.800 0.170 0.000 0.938 341 D HN 0.023 nan 8.370 nan 0.000 0.508 342 G N 0.800 109.675 108.800 0.125 0.000 2.138 342 G HA2 0.140 4.099 3.960 -0.001 0.000 0.256 342 G HA3 0.140 4.099 3.960 -0.001 0.000 0.256 342 G C -0.512 174.495 174.900 0.178 0.000 1.141 342 G CA -0.021 45.164 45.100 0.142 0.000 0.967 342 G HN 0.263 nan 8.290 nan 0.000 0.435 343 D N 2.258 122.769 120.400 0.185 0.000 2.620 343 D HA 0.186 4.825 4.640 -0.001 0.000 0.252 343 D C 1.266 177.679 176.300 0.189 0.000 1.207 343 D CA -0.798 53.327 54.000 0.208 0.000 0.884 343 D CB 1.367 42.308 40.800 0.236 0.000 1.262 343 D HN 0.346 nan 8.370 nan 0.000 0.552 344 R N 2.918 123.527 120.500 0.182 0.000 2.136 344 R HA -0.248 4.091 4.340 -0.001 0.000 0.242 344 R C 1.909 178.299 176.300 0.150 0.000 1.131 344 R CA 2.582 58.775 56.100 0.154 0.000 0.937 344 R CB -0.154 30.232 30.300 0.143 0.000 0.863 344 R HN 0.500 nan 8.270 nan 0.000 0.435 345 A N -0.324 122.601 122.820 0.176 0.000 1.877 345 A HA -0.120 4.200 4.320 -0.001 0.000 0.216 345 A C 2.313 179.911 177.584 0.022 0.000 1.186 345 A CA 1.828 53.937 52.037 0.120 0.000 0.620 345 A CB -0.577 18.558 19.000 0.225 0.000 0.822 345 A HN 0.254 nan 8.150 nan 0.000 0.443 346 V N 0.635 120.549 119.914 0.000 0.000 2.358 346 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 346 V C 2.395 178.529 176.094 0.068 0.000 1.047 346 V CA 2.244 64.521 62.300 -0.038 0.000 1.035 346 V CB -1.144 30.654 31.823 -0.041 0.000 0.658 346 V HN 0.714 nan 8.190 nan 0.000 0.452 347 N N 0.160 118.951 118.700 0.152 0.000 2.142 347 N HA -0.150 4.589 4.740 -0.001 0.000 0.186 347 N C 1.600 177.305 175.510 0.325 0.000 1.023 347 N CA 1.142 54.358 53.050 0.276 0.000 0.852 347 N CB -0.256 38.416 38.487 0.309 0.000 0.998 347 N HN 0.325 nan 8.380 nan 0.000 0.424 348 L N 0.872 122.222 121.223 0.213 0.000 2.083 348 L HA -0.148 4.192 4.340 -0.001 0.000 0.209 348 L C 2.343 179.300 176.870 0.145 0.000 1.083 348 L CA 1.783 56.743 54.840 0.200 0.000 0.752 348 L CB -0.917 41.225 42.059 0.139 0.000 0.899 348 L HN 0.437 nan 8.230 nan 0.000 0.433 349 Q N -1.475 118.371 119.800 0.076 0.000 2.079 349 Q HA -0.031 4.308 4.340 -0.001 0.000 0.200 349 Q C 2.096 178.159 176.000 0.104 0.000 0.974 349 Q CA 1.773 57.599 55.803 0.038 0.000 0.840 349 Q CB -1.394 27.326 28.738 -0.030 0.000 0.898 349 Q HN 0.306 nan 8.270 nan 0.000 0.430 350 G N -0.167 108.688 108.800 0.091 0.000 2.440 350 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.218 350 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.218 350 G C 0.723 175.622 174.900 -0.001 0.000 1.154 350 G CA 0.693 45.820 45.100 0.044 0.000 0.767 350 G HN 0.477 nan 8.290 nan 0.000 0.552 351 W N 0.527 121.813 121.300 -0.023 0.000 2.409 351 W HA 0.118 4.777 4.660 -0.001 0.000 0.299 351 W C 2.975 179.399 176.519 -0.157 0.000 1.203 351 W CA 0.989 58.277 57.345 -0.095 0.000 1.298 351 W CB -0.071 29.359 29.460 -0.051 0.000 1.127 351 W HN 0.197 nan 8.180 nan 0.000 0.528 352 Q N -1.697 118.128 119.800 0.042 0.000 2.436 352 Q HA -0.180 4.159 4.340 -0.001 0.000 0.209 352 Q C 1.690 177.643 176.000 -0.079 0.000 0.965 352 Q CA 1.004 56.714 55.803 -0.155 0.000 0.910 352 Q CB -0.308 28.301 28.738 -0.215 0.000 0.980 352 Q HN 0.400 nan 8.270 nan 0.000 0.491 353 W N 0.060 121.261 121.300 -0.165 0.000 2.601 353 W HA 0.148 4.807 4.660 -0.001 0.000 0.292 353 W C 2.037 178.441 176.519 -0.192 0.000 1.153 353 W CA 1.135 58.391 57.345 -0.148 0.000 1.448 353 W CB -0.284 29.111 29.460 -0.109 0.000 1.113 353 W HN -0.050 nan 8.180 nan 0.000 0.548 354 A N 0.091 122.802 122.820 -0.182 0.000 2.119 354 A HA 0.128 4.447 4.320 -0.001 0.000 0.217 354 A C 1.922 179.278 177.584 -0.380 0.000 1.153 354 A CA 1.454 53.276 52.037 -0.357 0.000 0.692 354 A CB -1.216 17.621 19.000 -0.272 0.000 0.799 354 A HN 0.382 nan 8.150 nan 0.000 0.458 355 G N -1.520 107.077 108.800 -0.338 0.000 3.337 355 G HA2 0.390 4.349 3.960 -0.001 0.000 0.246 355 G HA3 0.390 4.349 3.960 -0.001 0.000 0.246 355 G C 0.967 175.656 174.900 -0.351 0.000 1.131 355 G CA 0.456 45.364 45.100 -0.321 0.000 0.773 355 G HN 1.396 nan 8.290 nan 0.000 0.544 356 G N 0.506 109.065 108.800 -0.403 0.000 2.366 356 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.299 356 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.299 356 G C 0.781 175.343 174.900 -0.564 0.000 1.020 356 G CA 0.486 45.339 45.100 -0.412 0.000 1.026 356 G HN 0.511 nan 8.290 nan 0.000 0.512 357 L N -0.910 120.017 121.223 -0.493 0.000 2.667 357 L HA 0.430 4.770 4.340 -0.001 0.000 0.232 357 L C 2.000 178.640 176.870 -0.382 0.000 1.138 357 L CA 0.692 55.195 54.840 -0.562 0.000 0.921 357 L CB 0.153 41.880 42.059 -0.553 0.000 1.180 357 L HN 0.830 nan 8.230 nan 0.000 0.487 358 G N -0.602 108.035 108.800 -0.271 0.000 2.421 358 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.188 358 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.188 358 G C 0.189 175.065 174.900 -0.040 0.000 1.001 358 G CA -0.401 44.620 45.100 -0.133 0.000 0.693 358 G HN -0.028 nan 8.290 nan 0.000 0.479 359 V N 1.996 121.916 119.914 0.012 0.000 2.585 359 V HA 0.394 4.514 4.120 -0.001 0.000 0.296 359 V C 1.292 177.608 176.094 0.370 0.000 1.035 359 V CA 1.400 63.808 62.300 0.179 0.000 1.084 359 V CB 1.240 33.222 31.823 0.264 0.000 0.953 359 V HN 0.577 nan 8.190 nan 0.000 0.483 360 D N 4.359 125.001 120.400 0.404 0.000 2.882 360 D HA -0.284 4.356 4.640 -0.001 0.000 0.229 360 D C 0.907 177.376 176.300 0.281 0.000 1.167 360 D CA 1.408 55.666 54.000 0.431 0.000 0.759 360 D CB -0.970 40.223 40.800 0.654 0.000 1.088 360 D HN 1.536 nan 8.370 nan 0.000 0.425 361 A N -2.158 120.764 122.820 0.170 0.000 2.715 361 A HA -0.042 4.277 4.320 -0.001 0.000 0.301 361 A C 1.073 178.674 177.584 0.028 0.000 1.515 361 A CA 1.828 53.915 52.037 0.084 0.000 0.816 361 A CB -1.937 17.119 19.000 0.093 0.000 1.004 361 A HN 1.635 nan 8.150 nan 0.000 0.483 362 A N 0.682 123.504 122.820 0.002 0.000 2.511 362 A HA 0.518 4.837 4.320 -0.001 0.000 0.242 362 A C -0.935 176.460 177.584 -0.315 0.000 1.069 362 A CA -0.310 51.622 52.037 -0.174 0.000 0.763 362 A CB -0.051 18.698 19.000 -0.418 0.000 1.001 362 A HN 0.678 nan 8.150 nan 0.000 0.498 363 P HA 0.064 nan 4.420 nan 0.000 0.276 363 P C 0.017 176.838 177.300 -0.798 0.000 1.235 363 P CA -0.007 62.597 63.100 -0.826 0.000 0.772 363 P CB 0.404 31.166 31.700 -1.563 0.000 0.871 364 Y N 2.799 122.841 120.300 -0.429 0.000 2.242 364 Y HA -0.149 4.400 4.550 -0.001 0.000 0.291 364 Y C 1.953 177.810 175.900 -0.072 0.000 1.137 364 Y CA 0.697 58.707 58.100 -0.150 0.000 1.181 364 Y CB -1.976 36.568 38.460 0.140 0.000 0.989 364 Y HN 0.212 nan 8.280 nan 0.000 0.527 365 F N 1.009 120.613 119.950 -0.576 0.000 2.583 365 F HA 0.089 4.616 4.527 -0.001 0.000 0.297 365 F C 1.050 176.771 175.800 -0.131 0.000 1.131 365 F CA -0.282 57.548 58.000 -0.283 0.000 1.467 365 F CB -0.890 37.833 39.000 -0.462 0.000 1.097 365 F HN -0.081 nan 8.300 nan 0.000 0.586 366 R N 1.654 121.986 120.500 -0.280 0.000 2.267 366 R HA 0.498 4.838 4.340 -0.001 0.000 0.319 366 R C -1.628 174.493 176.300 -0.298 0.000 1.067 366 R CA -0.233 55.713 56.100 -0.258 0.000 0.936 366 R CB 0.558 30.559 30.300 -0.498 0.000 1.006 366 R HN 0.105 nan 8.270 nan 0.000 0.452 367 V N 6.805 126.594 119.914 -0.207 0.000 2.482 367 V HA 0.358 4.478 4.120 -0.001 0.000 0.295 367 V C -0.634 175.385 176.094 -0.125 0.000 1.026 367 V CA -0.869 61.339 62.300 -0.153 0.000 0.856 367 V CB 1.134 33.035 31.823 0.130 0.000 1.001 367 V HN 0.573 nan 8.190 nan 0.000 0.424 368 F N 2.943 122.913 119.950 0.033 0.000 2.553 368 F HA 0.206 4.733 4.527 -0.001 0.000 0.356 368 F C 1.117 177.002 175.800 0.143 0.000 1.142 368 F CA 0.050 58.080 58.000 0.050 0.000 1.322 368 F CB 0.367 39.364 39.000 -0.006 0.000 1.126 368 F HN 0.468 nan 8.300 nan 0.000 0.599 369 N N 4.350 123.248 118.700 0.330 0.000 2.589 369 N HA 0.217 4.957 4.740 -0.001 0.000 0.232 369 N C -2.062 173.589 175.510 0.236 0.000 1.015 369 N CA -1.978 51.228 53.050 0.260 0.000 0.931 369 N CB 1.133 39.724 38.487 0.174 0.000 1.150 369 N HN 0.142 nan 8.380 nan 0.000 0.512 370 P HA -0.239 nan 4.420 nan 0.000 0.222 370 P C 1.379 178.799 177.300 0.201 0.000 1.154 370 P CA 0.983 64.221 63.100 0.231 0.000 0.874 370 P CB 0.552 32.414 31.700 0.271 0.000 0.787 371 V N -1.656 118.368 119.914 0.183 0.000 2.492 371 V HA -0.089 4.031 4.120 -0.001 0.000 0.241 371 V C 2.100 178.212 176.094 0.030 0.000 1.041 371 V CA 1.058 63.457 62.300 0.165 0.000 1.057 371 V CB -0.871 31.054 31.823 0.170 0.000 0.711 371 V HN -0.056 nan 8.190 nan 0.000 0.468 372 L N -0.115 121.132 121.223 0.040 0.000 1.970 372 L HA -0.237 4.102 4.340 -0.001 0.000 0.212 372 L C 2.695 179.513 176.870 -0.086 0.000 1.071 372 L CA 2.312 57.143 54.840 -0.014 0.000 0.751 372 L CB -0.876 41.200 42.059 0.028 0.000 0.889 372 L HN 0.381 nan 8.230 nan 0.000 0.432 373 Q N 0.409 120.198 119.800 -0.018 0.000 2.082 373 Q HA -0.226 4.114 4.340 -0.001 0.000 0.211 373 Q C 2.089 177.994 176.000 -0.158 0.000 1.002 373 Q CA 2.357 58.154 55.803 -0.010 0.000 0.868 373 Q CB -0.822 27.946 28.738 0.050 0.000 0.931 373 Q HN 0.496 nan 8.270 nan 0.000 0.414 374 G N -0.726 107.871 108.800 -0.340 0.000 2.448 374 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.219 374 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.219 374 G C 1.005 175.297 174.900 -1.014 0.000 1.127 374 G CA 0.931 45.438 45.100 -0.988 0.000 0.766 374 G HN 0.488 nan 8.290 nan 0.000 0.552 375 E N -0.507 119.350 120.200 -0.571 0.000 2.140 375 E HA 0.054 4.404 4.350 -0.001 0.000 0.191 375 E C 2.419 178.874 176.600 -0.240 0.000 0.973 375 E CA 0.020 56.233 56.400 -0.312 0.000 0.829 375 E CB 0.039 29.645 29.700 -0.158 0.000 0.781 375 E HN 0.330 nan 8.360 nan 0.000 0.466 376 R N 0.381 120.697 120.500 -0.306 0.000 2.236 376 R HA -0.049 4.290 4.340 -0.001 0.000 0.208 376 R C 0.752 176.692 176.300 -0.600 0.000 1.036 376 R CA 0.929 56.772 56.100 -0.428 0.000 1.001 376 R CB 0.269 30.261 30.300 -0.513 0.000 0.896 376 R HN 0.170 nan 8.270 nan 0.000 0.464 377 H N -1.233 117.750 119.070 -0.144 0.000 2.575 377 H HA 0.221 4.776 4.556 -0.001 0.000 0.256 377 H C -1.051 174.205 175.328 -0.120 0.000 1.162 377 H CA -0.226 55.739 56.048 -0.138 0.000 0.969 377 H CB 0.707 30.363 29.762 -0.176 0.000 1.796 377 H HN 0.119 nan 8.280 nan 0.000 0.607 378 D N 0.253 120.642 120.400 -0.019 0.000 2.491 378 D HA 0.164 4.803 4.640 -0.001 0.000 0.232 378 D C -2.249 174.091 176.300 0.066 0.000 1.334 378 D CA -1.157 52.885 54.000 0.069 0.000 0.909 378 D CB 1.579 42.500 40.800 0.201 0.000 1.513 378 D HN -0.078 nan 8.370 nan 0.000 0.514 379 P HA -0.148 nan 4.420 nan 0.000 0.215 379 P C 0.295 177.642 177.300 0.079 0.000 0.941 379 P CA 1.020 64.149 63.100 0.048 0.000 0.989 379 P CB 0.275 32.001 31.700 0.043 0.000 0.613 380 E N -0.521 119.728 120.200 0.081 0.000 2.381 380 E HA 0.195 4.545 4.350 -0.001 0.000 0.198 380 E C 1.086 177.759 176.600 0.121 0.000 1.204 380 E CA 0.776 57.227 56.400 0.084 0.000 0.998 380 E CB -1.597 28.140 29.700 0.062 0.000 1.080 380 E HN 0.471 nan 8.360 nan 0.000 0.481 381 G N 1.045 109.956 108.800 0.185 0.000 2.361 381 G HA2 -0.443 3.517 3.960 -0.001 0.000 0.294 381 G HA3 -0.443 3.517 3.960 -0.001 0.000 0.294 381 G C 1.067 176.087 174.900 0.201 0.000 1.004 381 G CA 0.829 46.097 45.100 0.280 0.000 0.870 381 G HN 0.377 nan 8.290 nan 0.000 0.510 382 R N -1.853 118.755 120.500 0.181 0.000 2.081 382 R HA -0.121 4.218 4.340 -0.001 0.000 0.235 382 R C 2.266 178.663 176.300 0.161 0.000 1.131 382 R CA 1.964 58.143 56.100 0.131 0.000 0.960 382 R CB -0.245 30.129 30.300 0.123 0.000 0.856 382 R HN 0.610 nan 8.270 nan 0.000 0.436 383 W N 1.273 122.630 121.300 0.094 0.000 2.354 383 W HA -0.207 4.453 4.660 -0.001 0.000 0.315 383 W C 1.857 178.445 176.519 0.115 0.000 1.206 383 W CA 1.128 58.556 57.345 0.138 0.000 1.290 383 W CB -0.630 28.961 29.460 0.218 0.000 1.152 383 W HN 0.026 nan 8.180 nan 0.000 0.489 384 L N 1.804 123.057 121.223 0.050 0.000 2.131 384 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 384 L C 2.237 178.943 176.870 -0.273 0.000 1.092 384 L CA 2.341 57.007 54.840 -0.290 0.000 0.759 384 L CB -1.140 40.679 42.059 -0.399 0.000 0.903 384 L HN -0.062 nan 8.230 nan 0.000 0.435 385 K N -0.805 119.500 120.400 -0.159 0.000 2.365 385 K HA -0.066 4.254 4.320 -0.001 0.000 0.199 385 K C 2.146 178.594 176.600 -0.254 0.000 1.045 385 K CA 1.017 57.211 56.287 -0.154 0.000 0.962 385 K CB -0.114 32.337 32.500 -0.082 0.000 0.759 385 K HN 0.200 nan 8.250 nan 0.000 0.469 386 R N -1.516 118.739 120.500 -0.408 0.000 2.156 386 R HA 0.037 4.377 4.340 -0.001 0.000 0.207 386 R C 1.040 176.776 176.300 -0.940 0.000 1.040 386 R CA 1.098 56.777 56.100 -0.702 0.000 1.013 386 R CB 0.001 29.773 30.300 -0.880 0.000 0.931 386 R HN 0.297 nan 8.270 nan 0.000 0.465 387 W N -0.913 120.167 121.300 -0.368 0.000 2.993 387 W HA 0.343 5.003 4.660 -0.001 0.000 0.290 387 W C 0.450 176.783 176.519 -0.310 0.000 1.203 387 W CA -0.073 57.050 57.345 -0.370 0.000 1.582 387 W CB 0.799 29.921 29.460 -0.563 0.000 1.033 387 W HN -0.066 nan 8.180 nan 0.000 0.594 388 A N -0.102 122.627 122.820 -0.151 0.000 3.474 388 A HA 0.353 4.673 4.320 -0.001 0.000 0.251 388 A C -2.131 175.447 177.584 -0.010 0.000 1.062 388 A CA -0.725 51.272 52.037 -0.067 0.000 0.945 388 A CB -0.018 18.860 19.000 -0.203 0.000 1.296 388 A HN -0.157 nan 8.150 nan 0.000 0.592 389 P HA -0.255 nan 4.420 nan 0.000 0.217 389 P C 1.412 178.706 177.300 -0.009 0.000 1.148 389 P CA 1.925 64.992 63.100 -0.054 0.000 0.828 389 P CB 0.152 31.805 31.700 -0.079 0.000 0.783 390 E N -1.706 118.502 120.200 0.013 0.000 2.233 390 E HA -0.219 4.130 4.350 -0.001 0.000 0.199 390 E C -0.070 176.451 176.600 -0.131 0.000 1.004 390 E CA 0.930 57.292 56.400 -0.064 0.000 0.819 390 E CB -0.982 28.655 29.700 -0.105 0.000 0.738 390 E HN 0.297 nan 8.360 nan 0.000 0.478 391 Y N 1.021 121.255 120.300 -0.110 0.000 2.336 391 Y HA 0.192 4.741 4.550 -0.001 0.000 0.335 391 Y C -1.505 174.333 175.900 -0.103 0.000 1.046 391 Y CA -2.646 55.386 58.100 -0.113 0.000 1.198 391 Y CB 1.072 39.432 38.460 -0.167 0.000 1.182 391 Y HN -0.095 nan 8.280 nan 0.000 0.502 392 P HA -0.034 nan 4.420 nan 0.000 0.222 392 P C -0.341 176.986 177.300 0.046 0.000 1.153 392 P CA 1.043 64.157 63.100 0.023 0.000 0.798 392 P CB 0.495 32.201 31.700 0.009 0.000 0.796 393 S N -3.300 112.440 115.700 0.066 0.000 2.724 393 S HA 0.267 4.737 4.470 -0.001 0.000 0.278 393 S C -0.539 174.091 174.600 0.050 0.000 1.190 393 S CA -0.665 57.588 58.200 0.088 0.000 0.860 393 S CB -0.157 63.124 63.200 0.134 0.000 1.206 393 S HN -0.187 nan 8.310 nan 0.000 0.507 394 Y N 1.291 121.643 120.300 0.087 0.000 2.506 394 Y HA 0.552 5.101 4.550 -0.001 0.000 0.333 394 Y C 1.147 177.102 175.900 0.093 0.000 1.177 394 Y CA 0.325 58.469 58.100 0.074 0.000 1.292 394 Y CB -0.607 37.894 38.460 0.068 0.000 1.124 394 Y HN 0.819 nan 8.280 nan 0.000 0.507 395 A N 0.770 123.710 122.820 0.200 0.000 2.289 395 A HA 0.471 4.791 4.320 -0.001 0.000 0.298 395 A C -2.435 175.255 177.584 0.176 0.000 1.208 395 A CA -1.777 50.361 52.037 0.168 0.000 0.845 395 A CB 0.046 19.122 19.000 0.128 0.000 1.125 395 A HN 0.049 nan 8.150 nan 0.000 0.517 396 P HA 0.040 nan 4.420 nan 0.000 0.258 396 P C -0.495 176.891 177.300 0.143 0.000 1.187 396 P CA 0.526 63.731 63.100 0.174 0.000 0.767 396 P CB 0.256 32.051 31.700 0.159 0.000 0.770 397 K N 3.993 124.487 120.400 0.156 0.000 2.423 397 K HA 0.122 4.442 4.320 -0.001 0.000 0.234 397 K C -0.775 175.856 176.600 0.051 0.000 1.051 397 K CA -0.361 55.956 56.287 0.051 0.000 1.021 397 K CB -0.145 32.304 32.500 -0.086 0.000 1.474 397 K HN 0.427 nan 8.250 nan 0.000 0.474 398 D N 2.207 122.647 120.400 0.066 0.000 2.897 398 D HA -0.089 4.551 4.640 -0.001 0.000 0.250 398 D C -2.481 173.885 176.300 0.110 0.000 1.086 398 D CA 0.227 54.269 54.000 0.069 0.000 0.799 398 D CB -0.564 40.258 40.800 0.037 0.000 1.043 398 D HN 0.442 nan 8.370 nan 0.000 0.427 399 P HA 0.052 nan 4.420 nan 0.000 0.271 399 P C 1.487 178.890 177.300 0.172 0.000 1.218 399 P CA -0.549 62.660 63.100 0.182 0.000 0.780 399 P CB 0.818 32.636 31.700 0.197 0.000 0.901 400 V N 1.054 121.095 119.914 0.211 0.000 3.444 400 V HA 0.024 4.144 4.120 -0.001 0.000 0.271 400 V C 0.648 176.842 176.094 0.167 0.000 1.188 400 V CA 0.883 63.295 62.300 0.186 0.000 1.168 400 V CB -1.340 30.615 31.823 0.221 0.000 0.810 400 V HN 0.383 nan 8.190 nan 0.000 0.500 401 V N -3.517 116.501 119.914 0.174 0.000 3.242 401 V HA 0.635 4.755 4.120 -0.001 0.000 0.298 401 V C -1.327 174.834 176.094 0.111 0.000 1.352 401 V CA -0.745 61.630 62.300 0.124 0.000 1.052 401 V CB 1.829 33.712 31.823 0.099 0.000 1.101 401 V HN 0.193 nan 8.190 nan 0.000 0.446 402 D N 1.190 121.632 120.400 0.070 0.000 2.422 402 D HA 0.435 5.075 4.640 -0.001 0.000 0.227 402 D C 1.245 177.558 176.300 0.022 0.000 1.190 402 D CA -0.152 53.882 54.000 0.056 0.000 0.905 402 D CB 0.652 41.478 40.800 0.044 0.000 1.034 402 D HN 0.625 nan 8.370 nan 0.000 0.507 403 L N 3.162 124.408 121.223 0.037 0.000 2.011 403 L HA -0.320 4.020 4.340 -0.001 0.000 0.225 403 L C 2.338 179.161 176.870 -0.078 0.000 1.084 403 L CA 2.091 56.908 54.840 -0.038 0.000 0.791 403 L CB -0.855 41.245 42.059 0.069 0.000 0.898 403 L HN 0.611 nan 8.230 nan 0.000 0.440 404 E N 0.324 120.521 120.200 -0.004 0.000 2.049 404 E HA -0.316 4.034 4.350 -0.001 0.000 0.198 404 E C 1.989 178.590 176.600 0.002 0.000 1.007 404 E CA 1.611 58.015 56.400 0.007 0.000 0.809 404 E CB -0.398 29.319 29.700 0.028 0.000 0.749 404 E HN 0.419 nan 8.360 nan 0.000 0.450 405 E N 1.516 121.721 120.200 0.007 0.000 2.106 405 E HA -0.127 4.223 4.350 -0.001 0.000 0.192 405 E C 2.012 178.619 176.600 0.012 0.000 0.984 405 E CA 1.593 58.002 56.400 0.016 0.000 0.806 405 E CB -0.447 29.267 29.700 0.022 0.000 0.750 405 E HN 0.359 nan 8.360 nan 0.000 0.458 406 A N 0.994 123.800 122.820 -0.024 0.000 1.908 406 A HA -0.229 4.091 4.320 -0.001 0.000 0.218 406 A C 2.327 179.910 177.584 -0.003 0.000 1.181 406 A CA 1.877 53.889 52.037 -0.042 0.000 0.627 406 A CB -0.645 18.254 19.000 -0.168 0.000 0.818 406 A HN 0.287 nan 8.150 nan 0.000 0.445 407 R N -0.481 119.988 120.500 -0.052 0.000 2.070 407 R HA -0.146 4.194 4.340 -0.001 0.000 0.232 407 R C 2.475 178.861 176.300 0.144 0.000 1.138 407 R CA 1.701 57.843 56.100 0.070 0.000 0.936 407 R CB -0.292 30.035 30.300 0.045 0.000 0.839 407 R HN 0.540 nan 8.270 nan 0.000 0.429 408 R N -0.009 120.541 120.500 0.083 0.000 2.096 408 R HA -0.195 4.145 4.340 -0.001 0.000 0.240 408 R C 2.563 178.909 176.300 0.076 0.000 1.139 408 R CA 1.940 58.083 56.100 0.071 0.000 0.952 408 R CB -0.555 29.770 30.300 0.042 0.000 0.854 408 R HN 0.274 nan 8.270 nan 0.000 0.436 409 R N 0.094 120.646 120.500 0.085 0.000 2.094 409 R HA -0.256 4.084 4.340 -0.001 0.000 0.239 409 R C 2.251 178.635 176.300 0.140 0.000 1.137 409 R CA 2.111 58.265 56.100 0.089 0.000 0.943 409 R CB -0.519 29.840 30.300 0.098 0.000 0.850 409 R HN 0.275 nan 8.270 nan 0.000 0.433 410 Y N 1.350 121.717 120.300 0.112 0.000 2.089 410 Y HA -0.205 4.345 4.550 -0.001 0.000 0.282 410 Y C 2.127 178.127 175.900 0.167 0.000 1.139 410 Y CA 1.871 60.087 58.100 0.193 0.000 1.123 410 Y CB -0.737 37.858 38.460 0.225 0.000 0.980 410 Y HN 0.057 nan 8.280 nan 0.000 0.493 411 L N 0.262 121.468 121.223 -0.028 0.000 2.051 411 L HA -0.332 4.007 4.340 -0.001 0.000 0.214 411 L C 2.823 179.618 176.870 -0.125 0.000 1.076 411 L CA 2.050 56.843 54.840 -0.080 0.000 0.758 411 L CB -0.691 41.433 42.059 0.108 0.000 0.890 411 L HN 0.248 nan 8.230 nan 0.000 0.433 412 R N 0.591 121.046 120.500 -0.076 0.000 2.070 412 R HA -0.183 4.157 4.340 -0.001 0.000 0.232 412 R C 2.397 178.585 176.300 -0.187 0.000 1.138 412 R CA 1.603 57.645 56.100 -0.096 0.000 0.936 412 R CB -0.319 29.945 30.300 -0.061 0.000 0.839 412 R HN 0.284 nan 8.270 nan 0.000 0.429 413 L N 0.414 121.508 121.223 -0.215 0.000 2.012 413 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 413 L C 2.812 179.421 176.870 -0.434 0.000 1.073 413 L CA 1.575 56.205 54.840 -0.351 0.000 0.748 413 L CB -0.661 41.165 42.059 -0.388 0.000 0.891 413 L HN 0.374 nan 8.230 nan 0.000 0.431 414 A N 0.004 122.548 122.820 -0.460 0.000 1.858 414 A HA -0.233 4.086 4.320 -0.001 0.000 0.216 414 A C 2.350 179.518 177.584 -0.693 0.000 1.190 414 A CA 1.714 53.343 52.037 -0.681 0.000 0.617 414 A CB -0.614 17.750 19.000 -1.059 0.000 0.827 414 A HN 0.296 nan 8.150 nan 0.000 0.443 415 R N 0.188 120.414 120.500 -0.457 0.000 2.134 415 R HA -0.152 4.188 4.340 -0.001 0.000 0.248 415 R C 0.307 176.486 176.300 -0.202 0.000 1.143 415 R CA 1.515 57.495 56.100 -0.200 0.000 0.957 415 R CB -0.641 29.621 30.300 -0.063 0.000 0.867 415 R HN 0.589 nan 8.270 nan 0.000 0.441 416 D N 0.000 120.256 120.400 -0.240 0.000 6.856 416 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 416 D CA 0.000 53.871 54.000 -0.214 0.000 0.868 416 D CB 0.000 40.667 40.800 -0.222 0.000 0.688 416 D HN 0.000 nan 8.370 nan 0.000 0.683