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 3eqa_1_A DATA FIRST_RESID 30 DATA SEQUENCE WLSNEATVAR TAILNNIGAD GAWVSGADSG IVVASPSTDN PDYFYTWTRD DATA SEQUENCE SGLVLKTLVD LFRNGDTSLL STIENYISAQ AIVQGISNPS GDLSSGAGLG DATA SEQUENCE EPKFNVDETA YTGSWGRPQR DGPALRATAM IGFGQWLLDN GYTSTATDIV DATA SEQUENCE WPLVRNDLSY VAQYWNQTGY DLWEEVNGSS FFTIAVQHRA LVEGSAFATA DATA SEQUENCE VGSSCSWCDS QAPEILcYLQ SFWTGSFILA NFDSSRSGKD ANTLLGSIHT DATA SEQUENCE FDPEAAcDDS TFQPcSPRAL ANHKEVVDSF RSIYTLNDGL SDSEAVAVGR DATA SEQUENCE YPEDTYYNGN PWFLCTLAAA EQLYDALYQW DKQGSLEVTD VSLDFFKALY DATA SEQUENCE SDAATGTYSS SSSTYSSIVD AVKTFADGFV SIVETHAASN GSMSEQYDKS DATA SEQUENCE DGEQLSARDL TWSYAALLTA NNRRNSVVPA SWGETSASSV PGTcAATSAI DATA SEQUENCE GTYSSVTV 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 30 W HA 0.000 nan 4.660 nan 0.000 0.303 30 W C 0.000 176.527 176.519 0.013 0.000 1.175 30 W CA 0.000 57.349 57.345 0.007 0.000 1.226 30 W CB 0.000 29.462 29.460 0.003 0.000 1.126 31 L N 1.133 122.430 121.223 0.124 0.000 2.012 31 L HA -0.245 4.201 4.340 0.178 0.000 0.210 31 L C 2.559 179.286 176.870 -0.239 0.000 1.073 31 L CA 2.224 56.996 54.840 -0.114 0.000 0.748 31 L CB -0.941 41.188 42.059 0.117 0.000 0.891 31 L HN 0.213 nan 8.230 nan 0.000 0.431 32 S N 0.396 116.023 115.700 -0.123 0.000 2.359 32 S HA -0.242 4.335 4.470 0.178 0.000 0.223 32 S C 1.727 176.224 174.600 -0.172 0.000 1.039 32 S CA 2.044 60.176 58.200 -0.114 0.000 1.042 32 S CB -0.551 62.615 63.200 -0.056 0.000 0.915 32 S HN 0.660 nan 8.310 nan 0.000 0.439 33 N N 0.099 118.673 118.700 -0.209 0.000 2.244 33 N HA -0.160 4.687 4.740 0.178 0.000 0.183 33 N C 1.718 177.027 175.510 -0.335 0.000 1.016 33 N CA 1.352 54.268 53.050 -0.224 0.000 0.866 33 N CB -0.415 37.974 38.487 -0.163 0.000 0.980 33 N HN 0.421 nan 8.380 nan 0.000 0.430 34 E N 1.732 121.574 120.200 -0.597 0.000 2.107 34 E HA 0.022 4.479 4.350 0.178 0.000 0.191 34 E C 2.044 178.428 176.600 -0.361 0.000 0.982 34 E CA 1.283 57.275 56.400 -0.679 0.000 0.809 34 E CB -0.355 28.447 29.700 -1.498 0.000 0.756 34 E HN 0.439 nan 8.360 nan 0.000 0.459 35 A N -0.288 122.355 122.820 -0.296 0.000 1.972 35 A HA -0.167 4.260 4.320 0.178 0.000 0.219 35 A C 2.387 179.892 177.584 -0.132 0.000 1.169 35 A CA 2.011 53.954 52.037 -0.156 0.000 0.635 35 A CB -1.031 17.900 19.000 -0.115 0.000 0.810 35 A HN 0.365 nan 8.150 nan 0.000 0.446 36 T N -0.327 114.137 114.554 -0.151 0.000 2.708 36 T HA -0.130 4.327 4.350 0.178 0.000 0.266 36 T C 1.885 176.499 174.700 -0.145 0.000 1.037 36 T CA 1.657 63.680 62.100 -0.129 0.000 1.146 36 T CB -0.456 68.341 68.868 -0.118 0.000 0.865 36 T HN 0.166 nan 8.240 nan 0.000 0.435 37 V N 1.745 121.563 119.914 -0.159 0.000 2.343 37 V HA -0.178 4.049 4.120 0.178 0.000 0.247 37 V C 2.897 178.843 176.094 -0.245 0.000 1.051 37 V CA 1.663 63.862 62.300 -0.169 0.000 1.036 37 V CB -1.267 30.483 31.823 -0.120 0.000 0.654 37 V HN 0.536 nan 8.190 nan 0.000 0.451 38 A N 0.078 122.793 122.820 -0.176 0.000 1.892 38 A HA -0.305 4.121 4.320 0.178 0.000 0.218 38 A C 2.432 179.899 177.584 -0.195 0.000 1.188 38 A CA 2.331 54.281 52.037 -0.145 0.000 0.631 38 A CB -0.626 18.411 19.000 0.062 0.000 0.822 38 A HN 0.500 nan 8.150 nan 0.000 0.447 39 R N -1.064 119.349 120.500 -0.145 0.000 2.073 39 R HA -0.120 4.326 4.340 0.178 0.000 0.234 39 R C 2.099 178.285 176.300 -0.190 0.000 1.134 39 R CA 2.063 58.085 56.100 -0.129 0.000 0.952 39 R CB -0.585 29.656 30.300 -0.100 0.000 0.850 39 R HN 0.490 nan 8.270 nan 0.000 0.433 40 T N 0.591 115.005 114.554 -0.233 0.000 2.857 40 T HA -0.004 4.453 4.350 0.178 0.000 0.266 40 T C 1.783 176.235 174.700 -0.413 0.000 1.048 40 T CA 1.085 63.018 62.100 -0.278 0.000 1.139 40 T CB -0.171 68.549 68.868 -0.247 0.000 0.874 40 T HN 0.441 nan 8.240 nan 0.000 0.455 41 A N 1.345 123.857 122.820 -0.513 0.000 1.902 41 A HA -0.043 4.384 4.320 0.178 0.000 0.217 41 A C 2.253 179.568 177.584 -0.447 0.000 1.181 41 A CA 1.223 52.842 52.037 -0.695 0.000 0.623 41 A CB -0.807 17.485 19.000 -1.181 0.000 0.818 41 A HN 0.509 nan 8.150 nan 0.000 0.443 42 I N -0.240 120.152 120.570 -0.297 0.000 2.127 42 I HA -0.291 3.985 4.170 0.178 0.000 0.241 42 I C 2.375 178.423 176.117 -0.115 0.000 1.075 42 I CA 1.384 62.634 61.300 -0.084 0.000 1.334 42 I CB -0.397 37.584 38.000 -0.031 0.000 1.040 42 I HN 0.302 nan 8.210 nan 0.000 0.405 43 L N 0.441 121.557 121.223 -0.179 0.000 2.127 43 L HA -0.224 4.223 4.340 0.178 0.000 0.211 43 L C 2.106 178.848 176.870 -0.213 0.000 1.089 43 L CA 1.093 55.829 54.840 -0.174 0.000 0.757 43 L CB -0.860 41.092 42.059 -0.178 0.000 0.899 43 L HN 0.346 nan 8.230 nan 0.000 0.434 44 N N 0.446 118.927 118.700 -0.365 0.000 2.364 44 N HA -0.162 4.685 4.740 0.178 0.000 0.183 44 N C 1.085 176.494 175.510 -0.167 0.000 1.022 44 N CA 1.103 53.852 53.050 -0.501 0.000 0.883 44 N CB -0.399 37.299 38.487 -1.315 0.000 0.965 44 N HN 0.512 nan 8.380 nan 0.000 0.438 45 N N -0.427 118.257 118.700 -0.026 0.000 2.230 45 N HA 0.216 5.063 4.740 0.178 0.000 0.202 45 N C -0.508 175.045 175.510 0.071 0.000 1.119 45 N CA -0.091 53.044 53.050 0.141 0.000 0.851 45 N CB 0.882 39.515 38.487 0.243 0.000 0.990 45 N HN 0.092 nan 8.380 nan 0.000 0.497 46 I N 0.611 121.183 120.570 0.003 0.000 2.404 46 I HA 0.307 4.583 4.170 0.178 0.000 0.293 46 I C 0.840 176.946 176.117 -0.018 0.000 0.992 46 I CA -0.946 60.348 61.300 -0.011 0.000 1.149 46 I CB 1.697 39.674 38.000 -0.038 0.000 1.315 46 I HN -0.095 nan 8.210 nan 0.000 0.446 47 G N 3.139 111.930 108.800 -0.015 0.000 2.606 47 G HA2 0.375 4.442 3.960 0.178 0.000 0.252 47 G HA3 0.375 4.442 3.960 0.178 0.000 0.252 47 G C 0.744 175.627 174.900 -0.029 0.000 1.206 47 G CA -0.011 45.080 45.100 -0.016 0.000 0.861 47 G HN 0.809 nan 8.290 nan 0.000 0.561 48 A N -0.332 122.472 122.820 -0.027 0.000 2.132 48 A HA 0.178 4.604 4.320 0.178 0.000 0.213 48 A C 1.361 178.942 177.584 -0.005 0.000 1.154 48 A CA 1.009 53.038 52.037 -0.013 0.000 0.753 48 A CB 0.237 19.228 19.000 -0.014 0.000 0.826 48 A HN 0.443 nan 8.150 nan 0.000 0.469 49 D N -0.010 120.377 120.400 -0.022 0.000 2.431 49 D HA 0.171 4.918 4.640 0.178 0.000 0.213 49 D C 0.865 177.139 176.300 -0.043 0.000 1.130 49 D CA 0.274 54.258 54.000 -0.026 0.000 0.834 49 D CB 0.103 40.881 40.800 -0.036 0.000 0.985 49 D HN 0.308 nan 8.370 nan 0.000 0.504 50 G N 0.770 109.544 108.800 -0.043 0.000 2.313 50 G HA2 0.249 4.316 3.960 0.178 0.000 0.250 50 G HA3 0.249 4.316 3.960 0.178 0.000 0.250 50 G C 1.274 176.142 174.900 -0.053 0.000 1.281 50 G CA 0.113 45.165 45.100 -0.079 0.000 0.917 50 G HN 0.114 nan 8.290 nan 0.000 0.501 51 A N 3.085 125.812 122.820 -0.154 0.000 2.024 51 A HA -0.084 4.342 4.320 0.178 0.000 0.220 51 A C 1.665 179.327 177.584 0.131 0.000 1.164 51 A CA 1.132 53.120 52.037 -0.082 0.000 0.643 51 A CB -0.263 18.619 19.000 -0.196 0.000 0.806 51 A HN 0.779 nan 8.150 nan 0.000 0.451 52 W N -0.767 120.559 121.300 0.042 0.000 3.290 52 W HA 0.287 5.053 4.660 0.177 0.000 0.287 52 W C 0.875 177.481 176.519 0.145 0.000 1.288 52 W CA 0.685 58.073 57.345 0.071 0.000 1.725 52 W CB -0.476 29.028 29.460 0.074 0.000 1.103 52 W HN 0.322 nan 8.180 nan 0.000 0.670 53 V N -2.056 118.066 119.914 0.346 0.000 2.841 53 V HA 0.326 4.553 4.120 0.178 0.000 0.363 53 V C 0.444 176.717 176.094 0.299 0.000 1.330 53 V CA -0.719 61.822 62.300 0.401 0.000 1.207 53 V CB -0.159 31.834 31.823 0.283 0.000 1.318 53 V HN -0.110 nan 8.190 nan 0.000 0.603 54 S N 1.373 117.206 115.700 0.221 0.000 2.563 54 S HA 0.444 5.021 4.470 0.178 0.000 0.294 54 S C 1.610 176.336 174.600 0.209 0.000 1.279 54 S CA 1.753 60.045 58.200 0.153 0.000 1.069 54 S CB 0.281 63.538 63.200 0.096 0.000 0.828 54 S HN 2.227 nan 8.310 nan 0.000 0.497 55 G N 2.956 111.846 108.800 0.149 0.000 2.284 55 G HA2 -0.097 3.969 3.960 0.178 0.000 0.216 55 G HA3 -0.097 3.969 3.960 0.178 0.000 0.216 55 G C 0.237 175.200 174.900 0.105 0.000 1.009 55 G CA -0.024 45.170 45.100 0.155 0.000 0.625 55 G HN 1.473 nan 8.290 nan 0.000 0.501 56 A N 0.851 123.718 122.820 0.079 0.000 2.440 56 A HA 0.555 4.982 4.320 0.178 0.000 0.251 56 A C 0.258 177.830 177.584 -0.021 0.000 1.089 56 A CA 0.333 52.350 52.037 -0.033 0.000 0.779 56 A CB 0.228 19.175 19.000 -0.089 0.000 1.022 56 A HN 0.282 nan 8.150 nan 0.000 0.492 57 D N 0.862 121.237 120.400 -0.042 0.000 2.361 57 D HA 0.200 4.947 4.640 0.178 0.000 0.239 57 D C 0.738 177.012 176.300 -0.043 0.000 1.200 57 D CA 0.463 54.438 54.000 -0.041 0.000 0.915 57 D CB 0.690 41.456 40.800 -0.056 0.000 1.170 57 D HN 0.488 nan 8.370 nan 0.000 0.444 58 S N -0.351 115.323 115.700 -0.044 0.000 2.525 58 S HA 0.350 4.927 4.470 0.178 0.000 0.285 58 S C 1.163 175.731 174.600 -0.054 0.000 1.283 58 S CA 0.550 58.723 58.200 -0.046 0.000 1.072 58 S CB -0.245 62.927 63.200 -0.047 0.000 0.867 58 S HN 0.667 nan 8.310 nan 0.000 0.492 59 G N 4.127 112.904 108.800 -0.040 0.000 2.157 59 G HA2 -0.184 3.882 3.960 0.178 0.000 0.248 59 G HA3 -0.184 3.882 3.960 0.178 0.000 0.248 59 G C 0.057 174.970 174.900 0.022 0.000 0.979 59 G CA 0.058 45.151 45.100 -0.013 0.000 0.650 59 G HN 0.678 nan 8.290 nan 0.000 0.529 60 I N 1.945 122.508 120.570 -0.012 0.000 2.301 60 I HA 0.309 4.585 4.170 0.178 0.000 0.292 60 I C 0.836 176.960 176.117 0.011 0.000 1.046 60 I CA -0.804 60.490 61.300 -0.010 0.000 1.282 60 I CB 1.169 39.134 38.000 -0.059 0.000 1.409 60 I HN -0.106 nan 8.210 nan 0.000 0.484 61 V N 7.966 127.915 119.914 0.058 0.000 2.427 61 V HA 0.145 4.371 4.120 0.178 0.000 0.268 61 V C 0.495 176.641 176.094 0.086 0.000 1.046 61 V CA -0.515 61.825 62.300 0.066 0.000 0.970 61 V CB 1.171 33.036 31.823 0.071 0.000 1.001 61 V HN 0.388 nan 8.190 nan 0.000 0.476 62 V N 4.752 124.708 119.914 0.071 0.000 2.546 62 V HA 0.361 4.587 4.120 0.178 0.000 0.284 62 V C 1.347 177.580 176.094 0.231 0.000 1.050 62 V CA 0.315 62.664 62.300 0.082 0.000 0.981 62 V CB 1.110 32.895 31.823 -0.062 0.000 0.990 62 V HN 0.970 nan 8.190 nan 0.000 0.474 63 A N 3.492 126.527 122.820 0.358 0.000 1.933 63 A HA 0.092 4.519 4.320 0.178 0.000 0.218 63 A C 1.150 178.959 177.584 0.376 0.000 1.175 63 A CA 1.659 53.924 52.037 0.381 0.000 0.628 63 A CB -0.046 19.174 19.000 0.366 0.000 0.814 63 A HN 1.022 nan 8.150 nan 0.000 0.444 64 S N -2.713 113.228 115.700 0.401 0.000 2.558 64 S HA 0.441 5.018 4.470 0.178 0.000 0.277 64 S C -2.781 172.040 174.600 0.369 0.000 1.143 64 S CA -0.410 57.988 58.200 0.329 0.000 0.865 64 S CB 1.674 65.009 63.200 0.225 0.000 1.102 64 S HN -0.048 nan 8.310 nan 0.000 0.454 65 P HA 0.057 nan 4.420 nan 0.000 0.234 65 P C 0.472 177.886 177.300 0.190 0.000 1.167 65 P CA 0.257 63.560 63.100 0.340 0.000 0.763 65 P CB -0.164 31.637 31.700 0.168 0.000 0.835 66 S N 0.750 116.533 115.700 0.137 0.000 2.498 66 S HA 0.135 4.712 4.470 0.178 0.000 0.281 66 S C 1.359 176.047 174.600 0.147 0.000 1.265 66 S CA 0.117 58.354 58.200 0.062 0.000 1.071 66 S CB -0.261 62.933 63.200 -0.010 0.000 0.894 66 S HN 0.268 nan 8.310 nan 0.000 0.491 67 T N 0.818 115.389 114.554 0.029 0.000 3.069 67 T HA 0.306 4.763 4.350 0.178 0.000 0.252 67 T C -0.160 174.593 174.700 0.088 0.000 1.053 67 T CA -0.282 61.835 62.100 0.028 0.000 0.964 67 T CB -0.007 68.751 68.868 -0.182 0.000 1.005 67 T HN 0.535 nan 8.240 nan 0.000 0.532 68 D N 0.543 120.996 120.400 0.088 0.000 2.886 68 D HA 0.304 5.051 4.640 0.178 0.000 0.216 68 D C -1.113 175.243 176.300 0.094 0.000 1.256 68 D CA -0.346 53.715 54.000 0.101 0.000 0.844 68 D CB 0.902 41.733 40.800 0.053 0.000 1.669 68 D HN -0.089 nan 8.370 nan 0.000 0.513 69 N N 1.530 120.309 118.700 0.130 0.000 2.714 69 N HA -0.101 4.745 4.740 0.178 0.000 0.253 69 N C -2.481 173.095 175.510 0.110 0.000 1.024 69 N CA 0.578 53.701 53.050 0.123 0.000 0.726 69 N CB -1.042 37.488 38.487 0.072 0.000 0.908 69 N HN 0.386 nan 8.380 nan 0.000 0.542 70 P HA 0.307 nan 4.420 nan 0.000 0.285 70 P C -0.615 176.881 177.300 0.325 0.000 1.280 70 P CA -0.349 62.915 63.100 0.274 0.000 0.862 70 P CB 1.044 32.964 31.700 0.367 0.000 1.153 71 D N 0.594 121.285 120.400 0.486 0.000 2.468 71 D HA 0.101 4.848 4.640 0.178 0.000 0.218 71 D C -0.689 176.120 176.300 0.849 0.000 1.155 71 D CA -0.186 54.136 54.000 0.535 0.000 0.924 71 D CB -0.448 40.637 40.800 0.475 0.000 1.029 71 D HN 0.140 nan 8.370 nan 0.000 0.515 72 Y N 2.423 123.000 120.300 0.462 0.000 2.555 72 Y HA 0.214 4.870 4.550 0.176 0.000 0.259 72 Y C 0.405 176.632 175.900 0.544 0.000 1.179 72 Y CA -0.908 57.555 58.100 0.605 0.000 1.230 72 Y CB -0.377 38.312 38.460 0.382 0.000 1.146 72 Y HN 0.337 nan 8.280 nan 0.000 0.526 73 F N 1.636 121.710 119.950 0.206 0.000 2.651 73 F HA 0.230 4.864 4.527 0.178 0.000 0.369 73 F C -1.013 174.469 175.800 -0.531 0.000 1.187 73 F CA -0.331 57.608 58.000 -0.102 0.000 1.335 73 F CB -1.017 37.888 39.000 -0.159 0.000 1.707 73 F HN -0.109 nan 8.300 nan 0.000 0.637 74 Y N -0.879 119.416 120.300 -0.008 0.000 2.644 74 Y HA 0.375 5.031 4.550 0.178 0.000 0.338 74 Y C 0.018 175.847 175.900 -0.118 0.000 1.119 74 Y CA -1.423 56.530 58.100 -0.244 0.000 1.060 74 Y CB 1.431 39.481 38.460 -0.683 0.000 1.294 74 Y HN -0.084 nan 8.280 nan 0.000 0.472 75 T N 2.276 116.824 114.554 -0.011 0.000 2.770 75 T HA 0.340 4.797 4.350 0.178 0.000 0.283 75 T C -1.257 173.490 174.700 0.078 0.000 0.988 75 T CA -0.327 61.838 62.100 0.108 0.000 0.957 75 T CB 0.221 69.125 68.868 0.061 0.000 0.930 75 T HN 0.454 nan 8.240 nan 0.000 0.443 76 W N 3.752 125.088 121.300 0.060 0.000 2.417 76 W HA 0.213 4.981 4.660 0.180 0.000 0.317 76 W C 1.252 177.810 176.519 0.065 0.000 1.121 76 W CA -0.800 56.569 57.345 0.040 0.000 1.208 76 W CB 1.770 31.246 29.460 0.027 0.000 1.253 76 W HN 0.671 nan 8.180 nan 0.000 0.533 77 T N 1.766 116.483 114.554 0.272 0.000 2.788 77 T HA -0.217 4.239 4.350 0.178 0.000 0.268 77 T C 2.008 176.783 174.700 0.125 0.000 1.044 77 T CA 1.270 63.482 62.100 0.186 0.000 1.139 77 T CB -0.065 68.897 68.868 0.156 0.000 0.867 77 T HN 0.390 nan 8.240 nan 0.000 0.454 78 R N 1.130 121.703 120.500 0.121 0.000 2.070 78 R HA -0.147 4.299 4.340 0.178 0.000 0.233 78 R C 1.824 178.015 176.300 -0.181 0.000 1.137 78 R CA 2.228 58.313 56.100 -0.025 0.000 0.945 78 R CB -0.387 29.898 30.300 -0.026 0.000 0.845 78 R HN 0.259 nan 8.270 nan 0.000 0.430 79 D N 0.124 120.458 120.400 -0.111 0.000 2.104 79 D HA -0.113 4.634 4.640 0.178 0.000 0.194 79 D C 2.046 178.276 176.300 -0.117 0.000 0.994 79 D CA 1.892 55.774 54.000 -0.197 0.000 0.830 79 D CB -0.181 40.649 40.800 0.049 0.000 0.959 79 D HN 0.197 nan 8.370 nan 0.000 0.452 80 S N -0.087 115.626 115.700 0.023 0.000 2.370 80 S HA -0.109 4.468 4.470 0.178 0.000 0.226 80 S C 2.173 176.704 174.600 -0.114 0.000 1.033 80 S CA 1.263 59.477 58.200 0.023 0.000 1.011 80 S CB -0.809 62.510 63.200 0.197 0.000 0.852 80 S HN 0.435 nan 8.310 nan 0.000 0.457 81 G N 1.519 110.284 108.800 -0.059 0.000 2.408 81 G HA2 -0.076 3.991 3.960 0.178 0.000 0.217 81 G HA3 -0.076 3.991 3.960 0.178 0.000 0.217 81 G C 1.349 176.131 174.900 -0.196 0.000 1.150 81 G CA 0.470 45.512 45.100 -0.097 0.000 0.776 81 G HN 0.421 nan 8.290 nan 0.000 0.542 82 L N 0.182 121.245 121.223 -0.267 0.000 2.056 82 L HA -0.055 4.392 4.340 0.178 0.000 0.207 82 L C 2.985 179.737 176.870 -0.198 0.000 1.078 82 L CA 0.378 55.032 54.840 -0.310 0.000 0.749 82 L CB -0.515 41.180 42.059 -0.607 0.000 0.901 82 L HN 0.072 nan 8.230 nan 0.000 0.433 83 V N -0.122 119.672 119.914 -0.200 0.000 2.295 83 V HA -0.288 3.939 4.120 0.178 0.000 0.246 83 V C 2.460 178.442 176.094 -0.185 0.000 1.049 83 V CA 1.397 63.623 62.300 -0.123 0.000 1.024 83 V CB -0.383 31.392 31.823 -0.080 0.000 0.648 83 V HN 0.318 nan 8.190 nan 0.000 0.447 84 L N -0.000 121.022 121.223 -0.335 0.000 2.083 84 L HA -0.151 4.296 4.340 0.178 0.000 0.209 84 L C 2.503 179.212 176.870 -0.267 0.000 1.083 84 L CA 1.932 56.498 54.840 -0.456 0.000 0.752 84 L CB -1.137 40.328 42.059 -0.991 0.000 0.899 84 L HN 0.387 nan 8.230 nan 0.000 0.433 85 K N 0.075 120.367 120.400 -0.179 0.000 2.063 85 K HA -0.150 4.276 4.320 0.178 0.000 0.208 85 K C 1.963 178.552 176.600 -0.020 0.000 1.048 85 K CA 2.004 58.249 56.287 -0.070 0.000 0.928 85 K CB -0.447 32.036 32.500 -0.029 0.000 0.713 85 K HN 0.186 nan 8.250 nan 0.000 0.442 86 T N 1.442 115.987 114.554 -0.014 0.000 2.674 86 T HA -0.093 4.364 4.350 0.178 0.000 0.265 86 T C 1.747 176.446 174.700 -0.001 0.000 1.039 86 T CA 1.630 63.746 62.100 0.027 0.000 1.150 86 T CB -0.249 68.651 68.868 0.053 0.000 0.864 86 T HN 0.130 nan 8.240 nan 0.000 0.427 87 L N 0.774 121.963 121.223 -0.057 0.000 2.046 87 L HA -0.090 4.357 4.340 0.178 0.000 0.208 87 L C 2.696 179.541 176.870 -0.041 0.000 1.077 87 L CA 0.967 55.763 54.840 -0.074 0.000 0.747 87 L CB -0.829 41.136 42.059 -0.157 0.000 0.896 87 L HN 0.154 nan 8.230 nan 0.000 0.432 88 V N -0.161 119.714 119.914 -0.066 0.000 2.343 88 V HA -0.280 3.947 4.120 0.178 0.000 0.247 88 V C 2.116 178.290 176.094 0.133 0.000 1.051 88 V CA 1.852 64.162 62.300 0.018 0.000 1.036 88 V CB -0.521 31.305 31.823 0.005 0.000 0.654 88 V HN 0.428 nan 8.190 nan 0.000 0.451 89 D N 0.063 120.514 120.400 0.085 0.000 2.117 89 D HA -0.102 4.645 4.640 0.178 0.000 0.198 89 D C 2.164 178.513 176.300 0.081 0.000 0.982 89 D CA 1.124 55.180 54.000 0.093 0.000 0.828 89 D CB -0.213 40.635 40.800 0.080 0.000 0.967 89 D HN 0.338 nan 8.370 nan 0.000 0.464 90 L N -0.190 121.073 121.223 0.067 0.000 2.017 90 L HA -0.140 4.307 4.340 0.178 0.000 0.208 90 L C 2.407 179.309 176.870 0.055 0.000 1.073 90 L CA 0.798 55.667 54.840 0.048 0.000 0.745 90 L CB -0.515 41.563 42.059 0.031 0.000 0.894 90 L HN -0.017 nan 8.230 nan 0.000 0.432 91 F N 1.210 121.112 119.950 -0.079 0.000 2.095 91 F HA -0.241 4.392 4.527 0.177 0.000 0.298 91 F C 2.678 178.421 175.800 -0.095 0.000 1.104 91 F CA 1.621 59.545 58.000 -0.127 0.000 1.232 91 F CB -0.200 38.673 39.000 -0.212 0.000 0.987 91 F HN -0.134 nan 8.300 nan 0.000 0.475 92 R N -0.045 120.429 120.500 -0.043 0.000 2.189 92 R HA -0.072 4.375 4.340 0.178 0.000 0.218 92 R C 1.237 177.523 176.300 -0.024 0.000 1.074 92 R CA 1.002 57.083 56.100 -0.032 0.000 0.991 92 R CB -0.419 29.986 30.300 0.175 0.000 0.883 92 R HN 0.305 nan 8.270 nan 0.000 0.457 93 N N -0.530 118.157 118.700 -0.021 0.000 2.398 93 N HA 0.026 4.873 4.740 0.178 0.000 0.188 93 N C 0.816 176.302 175.510 -0.040 0.000 1.122 93 N CA 0.955 53.999 53.050 -0.009 0.000 0.866 93 N CB 1.392 39.886 38.487 0.012 0.000 0.970 93 N HN 0.445 nan 8.380 nan 0.000 0.462 94 G N 0.224 108.960 108.800 -0.105 0.000 2.260 94 G HA2 -0.203 3.864 3.960 0.178 0.000 0.179 94 G HA3 -0.203 3.864 3.960 0.178 0.000 0.179 94 G C -0.201 174.632 174.900 -0.112 0.000 1.002 94 G CA -0.320 44.718 45.100 -0.104 0.000 0.677 94 G HN 0.285 nan 8.290 nan 0.000 0.486 95 D N 2.428 122.767 120.400 -0.101 0.000 2.608 95 D HA 0.350 5.097 4.640 0.178 0.000 0.224 95 D C 2.107 178.396 176.300 -0.019 0.000 1.123 95 D CA 0.690 54.665 54.000 -0.042 0.000 1.030 95 D CB 0.043 40.841 40.800 -0.004 0.000 1.093 95 D HN 0.358 nan 8.370 nan 0.000 0.497 96 T N -2.289 112.222 114.554 -0.071 0.000 2.962 96 T HA -0.100 4.357 4.350 0.178 0.000 0.270 96 T C 1.797 176.596 174.700 0.164 0.000 1.088 96 T CA 0.488 62.566 62.100 -0.037 0.000 1.127 96 T CB -0.032 68.802 68.868 -0.058 0.000 0.883 96 T HN 0.051 nan 8.240 nan 0.000 0.493 97 S N 1.381 117.129 115.700 0.080 0.000 2.507 97 S HA 0.214 4.790 4.470 0.178 0.000 0.235 97 S C 1.597 176.211 174.600 0.023 0.000 0.988 97 S CA 0.341 58.569 58.200 0.047 0.000 0.944 97 S CB -0.522 62.684 63.200 0.008 0.000 0.762 97 S HN 0.494 nan 8.310 nan 0.000 0.526 98 L N 0.897 122.157 121.223 0.062 0.000 2.622 98 L HA 0.023 4.470 4.340 0.178 0.000 0.233 98 L C 2.052 178.786 176.870 -0.226 0.000 1.156 98 L CA 0.024 54.834 54.840 -0.050 0.000 0.866 98 L CB -0.489 41.559 42.059 -0.018 0.000 0.980 98 L HN 0.284 nan 8.230 nan 0.000 0.448 99 L N 0.449 121.568 121.223 -0.173 0.000 1.978 99 L HA -0.308 4.138 4.340 0.178 0.000 0.218 99 L C 2.809 179.463 176.870 -0.361 0.000 1.075 99 L CA 2.522 57.121 54.840 -0.401 0.000 0.767 99 L CB -0.613 41.398 42.059 -0.081 0.000 0.890 99 L HN 0.425 nan 8.230 nan 0.000 0.434 100 S N -2.831 112.750 115.700 -0.198 0.000 2.382 100 S HA -0.186 4.391 4.470 0.178 0.000 0.228 100 S C 1.861 176.344 174.600 -0.196 0.000 1.027 100 S CA 1.446 59.547 58.200 -0.165 0.000 0.991 100 S CB -1.267 61.875 63.200 -0.097 0.000 0.823 100 S HN 0.574 nan 8.310 nan 0.000 0.469 101 T N 3.038 117.465 114.554 -0.210 0.000 2.684 101 T HA 0.036 4.492 4.350 0.178 0.000 0.267 101 T C 1.734 176.277 174.700 -0.261 0.000 1.036 101 T CA 1.707 63.686 62.100 -0.201 0.000 1.148 101 T CB -0.540 68.215 68.868 -0.188 0.000 0.863 101 T HN 0.425 nan 8.240 nan 0.000 0.436 102 I N 0.870 121.178 120.570 -0.436 0.000 2.179 102 I HA -0.162 4.114 4.170 0.178 0.000 0.242 102 I C 2.665 178.457 176.117 -0.542 0.000 1.088 102 I CA 1.411 62.345 61.300 -0.611 0.000 1.357 102 I CB -0.449 36.891 38.000 -1.100 0.000 1.051 102 I HN 0.302 nan 8.210 nan 0.000 0.409 103 E N 0.866 120.748 120.200 -0.530 0.000 2.097 103 E HA -0.240 4.216 4.350 0.178 0.000 0.196 103 E C 1.933 178.438 176.600 -0.157 0.000 1.000 103 E CA 1.414 57.642 56.400 -0.287 0.000 0.804 103 E CB -0.194 29.404 29.700 -0.169 0.000 0.740 103 E HN 0.463 nan 8.360 nan 0.000 0.454 104 N N 0.274 118.889 118.700 -0.140 0.000 2.120 104 N HA -0.190 4.657 4.740 0.178 0.000 0.188 104 N C 1.620 177.092 175.510 -0.065 0.000 1.024 104 N CA 0.987 53.983 53.050 -0.090 0.000 0.852 104 N CB -0.600 37.839 38.487 -0.080 0.000 1.003 104 N HN 0.255 nan 8.380 nan 0.000 0.424 105 Y N 1.923 122.108 120.300 -0.190 0.000 2.114 105 Y HA -0.193 4.464 4.550 0.178 0.000 0.282 105 Y C 2.114 177.925 175.900 -0.148 0.000 1.165 105 Y CA 1.417 59.414 58.100 -0.171 0.000 1.148 105 Y CB -0.364 37.976 38.460 -0.200 0.000 0.972 105 Y HN -0.064 nan 8.280 nan 0.000 0.504 106 I N -0.314 120.163 120.570 -0.155 0.000 2.118 106 I HA -0.356 3.921 4.170 0.178 0.000 0.241 106 I C 2.508 178.516 176.117 -0.182 0.000 1.070 106 I CA 1.916 63.110 61.300 -0.176 0.000 1.327 106 I CB -1.657 36.332 38.000 -0.019 0.000 1.034 106 I HN 0.239 nan 8.210 nan 0.000 0.405 107 S N 0.857 116.480 115.700 -0.129 0.000 2.359 107 S HA -0.182 4.394 4.470 0.178 0.000 0.224 107 S C 2.222 176.728 174.600 -0.157 0.000 1.035 107 S CA 1.525 59.658 58.200 -0.112 0.000 1.018 107 S CB -0.376 62.776 63.200 -0.081 0.000 0.876 107 S HN 0.582 nan 8.310 nan 0.000 0.448 108 A N 1.324 124.026 122.820 -0.197 0.000 1.902 108 A HA -0.141 4.286 4.320 0.178 0.000 0.217 108 A C 2.128 179.533 177.584 -0.297 0.000 1.181 108 A CA 1.273 53.176 52.037 -0.224 0.000 0.623 108 A CB -0.531 18.344 19.000 -0.208 0.000 0.818 108 A HN 0.371 nan 8.150 nan 0.000 0.443 109 Q N -0.454 119.105 119.800 -0.402 0.000 2.224 109 Q HA -0.021 4.426 4.340 0.178 0.000 0.203 109 Q C 2.338 178.175 176.000 -0.272 0.000 0.970 109 Q CA 1.339 56.895 55.803 -0.413 0.000 0.865 109 Q CB -0.849 27.548 28.738 -0.568 0.000 0.922 109 Q HN 0.664 nan 8.270 nan 0.000 0.445 110 A N 0.915 123.611 122.820 -0.207 0.000 1.908 110 A HA -0.177 4.250 4.320 0.178 0.000 0.218 110 A C 2.175 179.673 177.584 -0.143 0.000 1.181 110 A CA 1.275 53.229 52.037 -0.139 0.000 0.627 110 A CB -0.636 18.306 19.000 -0.097 0.000 0.818 110 A HN 0.318 nan 8.150 nan 0.000 0.445 111 I N -0.784 119.688 120.570 -0.164 0.000 2.163 111 I HA -0.187 4.089 4.170 0.178 0.000 0.240 111 I C 2.387 178.370 176.117 -0.224 0.000 1.081 111 I CA 1.077 62.279 61.300 -0.163 0.000 1.353 111 I CB -0.395 37.513 38.000 -0.152 0.000 1.054 111 I HN 0.149 nan 8.210 nan 0.000 0.407 112 V N 0.533 120.253 119.914 -0.324 0.000 2.287 112 V HA -0.346 3.881 4.120 0.178 0.000 0.248 112 V C 2.434 178.272 176.094 -0.428 0.000 1.053 112 V CA 1.912 63.895 62.300 -0.528 0.000 1.027 112 V CB -0.792 30.624 31.823 -0.678 0.000 0.646 112 V HN 0.486 nan 8.190 nan 0.000 0.447 113 Q N -0.241 119.394 119.800 -0.276 0.000 2.248 113 Q HA -0.184 4.263 4.340 0.178 0.000 0.208 113 Q C 2.128 178.063 176.000 -0.109 0.000 0.984 113 Q CA 1.616 57.322 55.803 -0.161 0.000 0.875 113 Q CB -0.384 28.286 28.738 -0.114 0.000 0.910 113 Q HN 0.740 nan 8.270 nan 0.000 0.433 114 G N -0.180 108.551 108.800 -0.114 0.000 2.939 114 G HA2 0.128 4.195 3.960 0.178 0.000 0.210 114 G HA3 0.128 4.195 3.960 0.178 0.000 0.210 114 G C 0.463 175.332 174.900 -0.053 0.000 1.160 114 G CA -0.392 44.665 45.100 -0.072 0.000 0.770 114 G HN 0.126 nan 8.290 nan 0.000 0.543 115 I N 2.542 123.076 120.570 -0.059 0.000 2.578 115 I HA 0.028 4.305 4.170 0.178 0.000 0.286 115 I C 0.259 176.407 176.117 0.053 0.000 1.126 115 I CA -0.072 61.231 61.300 0.005 0.000 1.380 115 I CB 0.719 38.747 38.000 0.046 0.000 1.408 115 I HN -0.106 nan 8.210 nan 0.000 0.532 116 S N 6.243 121.955 115.700 0.020 0.000 2.537 116 S HA 0.130 4.707 4.470 0.178 0.000 0.286 116 S C -0.034 174.578 174.600 0.020 0.000 1.299 116 S CA -0.393 57.814 58.200 0.010 0.000 1.067 116 S CB 0.146 63.342 63.200 -0.006 0.000 0.864 116 S HN 0.808 nan 8.310 nan 0.000 0.494 117 N N 2.265 120.966 118.700 0.002 0.000 2.902 117 N HA 0.525 5.371 4.740 0.178 0.000 0.268 117 N C -2.970 172.508 175.510 -0.054 0.000 1.450 117 N CA -1.770 51.261 53.050 -0.033 0.000 0.819 117 N CB 0.312 38.763 38.487 -0.060 0.000 1.540 117 N HN 0.021 nan 8.380 nan 0.000 0.545 118 P HA 0.034 nan 4.420 nan 0.000 0.228 118 P C 0.412 177.689 177.300 -0.037 0.000 1.151 118 P CA 0.942 64.011 63.100 -0.052 0.000 0.770 118 P CB 0.174 31.842 31.700 -0.053 0.000 0.786 119 S N -1.559 114.108 115.700 -0.055 0.000 2.436 119 S HA 0.312 4.889 4.470 0.178 0.000 0.228 119 S C 1.175 175.750 174.600 -0.043 0.000 1.014 119 S CA 0.997 59.172 58.200 -0.041 0.000 0.950 119 S CB -0.252 62.912 63.200 -0.060 0.000 0.784 119 S HN 0.403 nan 8.310 nan 0.000 0.504 120 G N 1.178 109.952 108.800 -0.043 0.000 2.320 120 G HA2 0.224 4.291 3.960 0.178 0.000 0.274 120 G HA3 0.224 4.291 3.960 0.178 0.000 0.274 120 G C -2.199 172.676 174.900 -0.041 0.000 1.324 120 G CA -0.278 44.798 45.100 -0.041 0.000 0.957 120 G HN 0.315 nan 8.290 nan 0.000 0.481 121 D N -1.179 119.191 120.400 -0.050 0.000 2.506 121 D HA 0.643 5.389 4.640 0.178 0.000 0.254 121 D C 1.350 177.594 176.300 -0.094 0.000 1.089 121 D CA -0.695 53.274 54.000 -0.052 0.000 1.050 121 D CB 1.118 41.895 40.800 -0.037 0.000 1.221 121 D HN 0.705 nan 8.370 nan 0.000 0.589 122 L N 0.405 121.576 121.223 -0.086 0.000 2.109 122 L HA -0.022 4.425 4.340 0.178 0.000 0.207 122 L C 1.932 178.704 176.870 -0.164 0.000 1.086 122 L CA 1.697 56.464 54.840 -0.123 0.000 0.760 122 L CB -1.004 41.023 42.059 -0.054 0.000 0.910 122 L HN 0.467 nan 8.230 nan 0.000 0.437 123 S N -0.523 115.133 115.700 -0.073 0.000 2.383 123 S HA -0.186 4.391 4.470 0.178 0.000 0.229 123 S C 1.982 176.563 174.600 -0.032 0.000 1.030 123 S CA 1.509 59.701 58.200 -0.014 0.000 1.002 123 S CB -0.526 62.678 63.200 0.006 0.000 0.829 123 S HN 0.774 nan 8.310 nan 0.000 0.467 124 S N -0.037 115.602 115.700 -0.101 0.000 2.501 124 S HA 0.342 4.919 4.470 0.178 0.000 0.220 124 S C 1.679 176.124 174.600 -0.258 0.000 0.997 124 S CA 0.928 59.090 58.200 -0.064 0.000 0.919 124 S CB -0.009 63.188 63.200 -0.005 0.000 0.778 124 S HN 0.766 nan 8.310 nan 0.000 0.523 125 G N 1.118 109.511 108.800 -0.679 0.000 2.320 125 G HA2 -0.316 3.751 3.960 0.178 0.000 0.242 125 G HA3 -0.316 3.751 3.960 0.178 0.000 0.242 125 G C 1.215 175.994 174.900 -0.201 0.000 1.033 125 G CA 0.313 44.837 45.100 -0.959 0.000 0.620 125 G HN 1.308 nan 8.290 nan 0.000 0.517 126 A N 0.753 123.480 122.820 -0.155 0.000 1.972 126 A HA 0.320 4.747 4.320 0.178 0.000 0.219 126 A C 2.794 180.320 177.584 -0.097 0.000 1.169 126 A CA 2.231 54.158 52.037 -0.183 0.000 0.635 126 A CB -1.020 17.895 19.000 -0.143 0.000 0.810 126 A HN 1.722 nan 8.150 nan 0.000 0.446 127 G N -0.095 108.645 108.800 -0.099 0.000 2.479 127 G HA2 -0.155 3.911 3.960 0.178 0.000 0.220 127 G HA3 -0.155 3.911 3.960 0.178 0.000 0.220 127 G C 1.395 176.246 174.900 -0.082 0.000 1.115 127 G CA 1.001 46.059 45.100 -0.071 0.000 0.757 127 G HN 0.490 nan 8.290 nan 0.000 0.560 128 L N 0.631 121.751 121.223 -0.172 0.000 2.275 128 L HA 0.091 4.538 4.340 0.178 0.000 0.215 128 L C 2.857 179.438 176.870 -0.481 0.000 1.119 128 L CA 0.613 55.276 54.840 -0.296 0.000 0.790 128 L CB -0.235 41.612 42.059 -0.353 0.000 0.919 128 L HN 0.275 nan 8.230 nan 0.000 0.443 129 G N -0.560 107.946 108.800 -0.491 0.000 2.848 129 G HA2 -0.148 3.919 3.960 0.178 0.000 0.208 129 G HA3 -0.148 3.919 3.960 0.178 0.000 0.208 129 G C 0.533 175.362 174.900 -0.119 0.000 1.152 129 G CA -0.261 44.659 45.100 -0.300 0.000 0.789 129 G HN 0.243 nan 8.290 nan 0.000 0.531 130 E N 1.173 121.291 120.200 -0.137 0.000 2.480 130 E HA 0.129 4.586 4.350 0.178 0.000 0.258 130 E C -1.199 175.258 176.600 -0.239 0.000 0.984 130 E CA -1.407 54.857 56.400 -0.228 0.000 0.930 130 E CB 1.137 30.589 29.700 -0.413 0.000 0.936 130 E HN 0.054 nan 8.360 nan 0.000 0.466 131 P HA -0.098 nan 4.420 nan 0.000 0.215 131 P C -0.789 176.279 177.300 -0.387 0.000 1.157 131 P CA 1.570 64.606 63.100 -0.107 0.000 0.863 131 P CB 0.112 31.881 31.700 0.114 0.000 0.787 132 K N -2.595 117.280 120.400 -0.875 0.000 2.509 132 K HA 0.594 5.021 4.320 0.178 0.000 0.266 132 K C -1.387 174.536 176.600 -1.128 0.000 0.987 132 K CA -0.816 54.807 56.287 -1.106 0.000 0.868 132 K CB 1.196 32.474 32.500 -2.037 0.000 1.421 132 K HN -0.209 nan 8.250 nan 0.000 0.444 133 F N -0.077 119.583 119.950 -0.484 0.000 2.613 133 F HA 0.385 5.018 4.527 0.177 0.000 0.314 133 F C 0.007 175.728 175.800 -0.130 0.000 1.075 133 F CA -1.105 56.749 58.000 -0.244 0.000 0.945 133 F CB 1.770 40.668 39.000 -0.170 0.000 1.310 133 F HN 0.447 nan 8.300 nan 0.000 0.467 134 N N 0.702 119.515 118.700 0.187 0.000 2.453 134 N HA 0.106 4.953 4.740 0.178 0.000 0.253 134 N C 1.110 176.638 175.510 0.030 0.000 1.252 134 N CA 0.074 53.213 53.050 0.149 0.000 0.917 134 N CB 1.507 40.082 38.487 0.146 0.000 1.117 134 N HN 0.615 nan 8.380 nan 0.000 0.442 135 V N -1.266 118.595 119.914 -0.088 0.000 3.141 135 V HA -0.093 4.134 4.120 0.178 0.000 0.265 135 V C 1.013 177.057 176.094 -0.082 0.000 1.126 135 V CA 1.372 63.577 62.300 -0.157 0.000 1.141 135 V CB -0.576 31.011 31.823 -0.393 0.000 0.743 135 V HN 0.634 nan 8.190 nan 0.000 0.492 136 D N 0.243 120.624 120.400 -0.032 0.000 2.395 136 D HA 0.036 4.783 4.640 0.178 0.000 0.226 136 D C 0.478 176.762 176.300 -0.026 0.000 1.146 136 D CA -0.065 53.925 54.000 -0.018 0.000 0.830 136 D CB -0.717 40.088 40.800 0.009 0.000 0.958 136 D HN 0.700 nan 8.370 nan 0.000 0.501 137 E N -0.225 119.950 120.200 -0.042 0.000 2.320 137 E HA -0.168 4.289 4.350 0.178 0.000 0.234 137 E C -0.564 176.023 176.600 -0.021 0.000 1.183 137 E CA 0.866 57.222 56.400 -0.074 0.000 0.713 137 E CB -2.200 27.430 29.700 -0.116 0.000 1.226 137 E HN 0.668 nan 8.360 nan 0.000 0.382 138 T N -3.150 111.431 114.554 0.045 0.000 2.916 138 T HA 0.743 5.200 4.350 0.178 0.000 0.292 138 T C 0.238 175.027 174.700 0.148 0.000 1.055 138 T CA -0.522 61.619 62.100 0.069 0.000 1.009 138 T CB 2.076 70.968 68.868 0.039 0.000 1.118 138 T HN 0.390 nan 8.240 nan 0.000 0.497 139 A N 1.495 124.385 122.820 0.117 0.000 2.498 139 A HA 0.383 4.810 4.320 0.178 0.000 0.239 139 A C -0.430 177.153 177.584 -0.002 0.000 1.068 139 A CA -0.367 51.714 52.037 0.074 0.000 0.766 139 A CB -0.489 18.516 19.000 0.008 0.000 1.003 139 A HN 0.914 nan 8.150 nan 0.000 0.497 140 Y N 2.631 122.792 120.300 -0.232 0.000 2.404 140 Y HA 0.320 4.977 4.550 0.179 0.000 0.344 140 Y C 1.563 177.316 175.900 -0.244 0.000 0.995 140 Y CA 0.569 58.497 58.100 -0.286 0.000 1.201 140 Y CB 0.886 39.011 38.460 -0.559 0.000 1.151 140 Y HN 0.735 nan 8.280 nan 0.000 0.517 141 T N 1.191 115.357 114.554 -0.646 0.000 3.065 141 T HA 0.280 4.737 4.350 0.178 0.000 0.252 141 T C 0.973 175.404 174.700 -0.449 0.000 1.099 141 T CA 0.231 62.082 62.100 -0.414 0.000 1.063 141 T CB -0.257 68.458 68.868 -0.255 0.000 0.948 141 T HN 0.725 nan 8.240 nan 0.000 0.506 142 G N 2.010 110.299 108.800 -0.852 0.000 2.606 142 G HA2 0.422 4.489 3.960 0.178 0.000 0.252 142 G HA3 0.422 4.489 3.960 0.178 0.000 0.252 142 G C 0.118 175.013 174.900 -0.009 0.000 1.206 142 G CA -0.258 44.602 45.100 -0.400 0.000 0.861 142 G HN 0.584 nan 8.290 nan 0.000 0.561 143 S N -0.298 115.463 115.700 0.102 0.000 2.568 143 S HA 0.325 4.901 4.470 0.178 0.000 0.282 143 S C -0.430 174.387 174.600 0.361 0.000 1.338 143 S CA -0.299 57.996 58.200 0.158 0.000 1.045 143 S CB 0.777 64.028 63.200 0.085 0.000 0.873 143 S HN 0.687 nan 8.310 nan 0.000 0.516 144 W N 0.188 121.451 121.300 -0.062 0.000 3.161 144 W HA 0.390 5.157 4.660 0.177 0.000 0.314 144 W C -0.169 176.160 176.519 -0.315 0.000 1.245 144 W CA -0.797 56.463 57.345 -0.143 0.000 1.191 144 W CB 1.490 30.874 29.460 -0.127 0.000 1.392 144 W HN 1.062 nan 8.180 nan 0.000 0.568 145 G N 3.199 111.481 108.800 -0.864 0.000 2.852 145 G HA2 0.334 4.400 3.960 0.178 0.000 0.280 145 G HA3 0.334 4.400 3.960 0.178 0.000 0.280 145 G C -0.222 174.284 174.900 -0.657 0.000 0.731 145 G CA -0.210 44.059 45.100 -1.385 0.000 2.037 145 G HN 0.311 nan 8.290 nan 0.000 0.560 146 R N 1.614 121.989 120.500 -0.209 0.000 2.778 146 R HA 0.746 5.193 4.340 0.178 0.000 0.277 146 R C -2.774 173.713 176.300 0.312 0.000 0.977 146 R CA -1.967 54.222 56.100 0.148 0.000 0.950 146 R CB 1.809 32.169 30.300 0.101 0.000 1.165 146 R HN 0.080 nan 8.270 nan 0.000 0.474 147 P HA 0.136 nan 4.420 nan 0.000 0.278 147 P C -1.208 176.247 177.300 0.259 0.000 1.266 147 P CA -0.613 62.597 63.100 0.185 0.000 0.807 147 P CB 0.886 32.660 31.700 0.124 0.000 1.094 148 Q N 0.352 120.267 119.800 0.191 0.000 2.339 148 Q HA 0.300 4.747 4.340 0.178 0.000 0.268 148 Q C 0.783 176.883 176.000 0.166 0.000 1.027 148 Q CA -0.395 55.533 55.803 0.209 0.000 0.759 148 Q CB 1.927 30.794 28.738 0.215 0.000 1.244 148 Q HN 0.303 nan 8.270 nan 0.000 0.464 149 R N 1.226 121.855 120.500 0.215 0.000 2.313 149 R HA -0.072 4.375 4.340 0.178 0.000 0.199 149 R C 0.807 177.241 176.300 0.223 0.000 0.958 149 R CA 0.690 56.965 56.100 0.291 0.000 1.047 149 R CB 0.253 30.780 30.300 0.379 0.000 0.955 149 R HN 0.679 nan 8.270 nan 0.000 0.481 150 D N 0.332 120.825 120.400 0.155 0.000 2.224 150 D HA -0.093 4.654 4.640 0.178 0.000 0.205 150 D C 1.726 178.059 176.300 0.055 0.000 0.965 150 D CA 1.131 55.186 54.000 0.093 0.000 0.852 150 D CB -0.454 40.444 40.800 0.162 0.000 0.947 150 D HN 0.154 nan 8.370 nan 0.000 0.494 151 G N 2.183 111.015 108.800 0.055 0.000 2.586 151 G HA2 -0.244 3.823 3.960 0.178 0.000 0.218 151 G HA3 -0.244 3.823 3.960 0.178 0.000 0.218 151 G C -0.524 174.368 174.900 -0.014 0.000 1.216 151 G CA 1.211 46.323 45.100 0.020 0.000 0.786 151 G HN 0.349 nan 8.290 nan 0.000 0.583 152 P HA -0.046 nan 4.420 nan 0.000 0.216 152 P C 2.182 179.509 177.300 0.045 0.000 1.150 152 P CA 2.000 65.079 63.100 -0.035 0.000 0.837 152 P CB -0.165 31.475 31.700 -0.100 0.000 0.786 153 A N -0.622 122.230 122.820 0.054 0.000 1.877 153 A HA -0.173 4.254 4.320 0.178 0.000 0.216 153 A C 2.197 179.757 177.584 -0.040 0.000 1.186 153 A CA 1.515 53.560 52.037 0.013 0.000 0.620 153 A CB -1.641 17.342 19.000 -0.028 0.000 0.822 153 A HN 0.117 nan 8.150 nan 0.000 0.443 154 L N -1.331 119.860 121.223 -0.053 0.000 2.093 154 L HA -0.133 4.314 4.340 0.178 0.000 0.208 154 L C 2.778 179.635 176.870 -0.021 0.000 1.085 154 L CA 1.619 56.416 54.840 -0.071 0.000 0.755 154 L CB -0.466 41.543 42.059 -0.083 0.000 0.904 154 L HN 0.462 nan 8.230 nan 0.000 0.435 155 R N 0.503 121.018 120.500 0.025 0.000 2.073 155 R HA -0.175 4.272 4.340 0.178 0.000 0.234 155 R C 2.389 178.735 176.300 0.077 0.000 1.134 155 R CA 1.500 57.651 56.100 0.086 0.000 0.952 155 R CB -0.275 30.064 30.300 0.065 0.000 0.850 155 R HN 0.311 nan 8.270 nan 0.000 0.433 156 A N -0.006 122.846 122.820 0.053 0.000 1.883 156 A HA -0.182 4.245 4.320 0.178 0.000 0.217 156 A C 2.238 179.837 177.584 0.025 0.000 1.186 156 A CA 2.213 54.286 52.037 0.061 0.000 0.624 156 A CB -1.169 17.882 19.000 0.085 0.000 0.822 156 A HN 0.484 nan 8.150 nan 0.000 0.444 157 T N 0.101 114.650 114.554 -0.009 0.000 2.720 157 T HA -0.053 4.403 4.350 0.178 0.000 0.268 157 T C 2.174 176.864 174.700 -0.017 0.000 1.037 157 T CA 1.694 63.772 62.100 -0.037 0.000 1.144 157 T CB -0.441 68.374 68.868 -0.088 0.000 0.864 157 T HN 0.625 nan 8.240 nan 0.000 0.444 158 A N 1.151 123.968 122.820 -0.004 0.000 1.898 158 A HA -0.008 4.418 4.320 0.178 0.000 0.216 158 A C 2.332 179.942 177.584 0.044 0.000 1.181 158 A CA 1.395 53.427 52.037 -0.007 0.000 0.620 158 A CB -0.567 18.404 19.000 -0.048 0.000 0.819 158 A HN 0.449 nan 8.150 nan 0.000 0.442 159 M N -0.938 118.714 119.600 0.086 0.000 2.200 159 M HA -0.020 4.567 4.480 0.178 0.000 0.265 159 M C 2.079 178.364 176.300 -0.025 0.000 1.066 159 M CA 1.178 56.541 55.300 0.105 0.000 1.127 159 M CB -0.476 32.192 32.600 0.112 0.000 1.379 159 M HN 0.383 nan 8.290 nan 0.000 0.420 160 I N 0.176 120.659 120.570 -0.144 0.000 2.163 160 I HA -0.218 4.058 4.170 0.178 0.000 0.243 160 I C 2.631 178.595 176.117 -0.254 0.000 1.085 160 I CA 1.532 62.583 61.300 -0.415 0.000 1.347 160 I CB -0.987 36.866 38.000 -0.246 0.000 1.044 160 I HN 0.351 nan 8.210 nan 0.000 0.408 161 G N 0.598 109.374 108.800 -0.040 0.000 2.513 161 G HA2 -0.349 3.718 3.960 0.178 0.000 0.219 161 G HA3 -0.349 3.718 3.960 0.178 0.000 0.219 161 G C 1.611 176.625 174.900 0.191 0.000 1.160 161 G CA 0.924 46.072 45.100 0.080 0.000 0.767 161 G HN 0.339 nan 8.290 nan 0.000 0.571 162 F N 2.400 122.363 119.950 0.020 0.000 2.206 162 F HA 0.140 4.773 4.527 0.177 0.000 0.298 162 F C 2.564 178.477 175.800 0.189 0.000 1.090 162 F CA 1.067 59.125 58.000 0.095 0.000 1.323 162 F CB -0.556 38.434 39.000 -0.017 0.000 1.028 162 F HN 0.112 nan 8.300 nan 0.000 0.492 163 G N -0.261 108.519 108.800 -0.033 0.000 2.440 163 G HA2 -0.275 3.792 3.960 0.178 0.000 0.218 163 G HA3 -0.275 3.792 3.960 0.178 0.000 0.218 163 G C 1.505 176.495 174.900 0.150 0.000 1.154 163 G CA 0.873 45.947 45.100 -0.043 0.000 0.767 163 G HN 0.446 nan 8.290 nan 0.000 0.552 164 Q N -1.111 118.736 119.800 0.078 0.000 2.020 164 Q HA -0.175 4.271 4.340 0.178 0.000 0.202 164 Q C 2.234 178.340 176.000 0.177 0.000 0.982 164 Q CA 1.529 57.435 55.803 0.171 0.000 0.838 164 Q CB -0.322 28.498 28.738 0.137 0.000 0.899 164 Q HN 0.673 nan 8.270 nan 0.000 0.423 165 W N 1.443 122.773 121.300 0.050 0.000 2.335 165 W HA -0.215 4.551 4.660 0.177 0.000 0.311 165 W C 1.612 178.158 176.519 0.045 0.000 1.213 165 W CA 1.403 58.799 57.345 0.085 0.000 1.274 165 W CB -0.224 29.380 29.460 0.240 0.000 1.148 165 W HN 0.047 nan 8.180 nan 0.000 0.498 166 L N 0.079 121.364 121.223 0.103 0.000 2.042 166 L HA -0.277 4.170 4.340 0.178 0.000 0.210 166 L C 2.565 179.389 176.870 -0.077 0.000 1.076 166 L CA 1.433 56.264 54.840 -0.015 0.000 0.749 166 L CB -1.042 40.998 42.059 -0.031 0.000 0.893 166 L HN 0.084 nan 8.230 nan 0.000 0.432 167 L N -0.594 120.618 121.223 -0.018 0.000 2.046 167 L HA -0.237 4.210 4.340 0.178 0.000 0.208 167 L C 2.134 178.921 176.870 -0.138 0.000 1.077 167 L CA 1.105 55.920 54.840 -0.043 0.000 0.747 167 L CB -0.616 41.461 42.059 0.030 0.000 0.896 167 L HN 0.278 nan 8.230 nan 0.000 0.432 168 D N -0.227 120.068 120.400 -0.176 0.000 2.264 168 D HA -0.113 4.634 4.640 0.178 0.000 0.208 168 D C 1.220 177.320 176.300 -0.334 0.000 0.966 168 D CA 0.976 54.846 54.000 -0.217 0.000 0.864 168 D CB -0.117 40.575 40.800 -0.181 0.000 0.933 168 D HN 0.381 nan 8.370 nan 0.000 0.499 169 N N -0.550 117.849 118.700 -0.502 0.000 2.275 169 N HA 0.168 5.014 4.740 0.178 0.000 0.236 169 N C 0.828 175.939 175.510 -0.666 0.000 1.154 169 N CA 0.295 52.991 53.050 -0.591 0.000 0.866 169 N CB 1.772 39.713 38.487 -0.910 0.000 1.093 169 N HN 0.093 nan 8.380 nan 0.000 0.515 170 G N 1.029 109.543 108.800 -0.478 0.000 2.148 170 G HA2 -0.305 3.762 3.960 0.178 0.000 0.254 170 G HA3 -0.305 3.762 3.960 0.178 0.000 0.254 170 G C -0.277 174.342 174.900 -0.468 0.000 0.981 170 G CA -0.047 44.784 45.100 -0.447 0.000 0.670 170 G HN 0.418 nan 8.290 nan 0.000 0.528 171 Y N 1.902 122.121 120.300 -0.135 0.000 2.903 171 Y HA 0.361 5.018 4.550 0.177 0.000 0.387 171 Y C 2.197 178.076 175.900 -0.036 0.000 1.189 171 Y CA 0.350 58.413 58.100 -0.061 0.000 1.856 171 Y CB -0.434 38.006 38.460 -0.033 0.000 1.917 171 Y HN 0.178 nan 8.280 nan 0.000 0.448 172 T N -1.885 112.690 114.554 0.036 0.000 2.746 172 T HA -0.251 4.206 4.350 0.178 0.000 0.267 172 T C 2.173 176.909 174.700 0.059 0.000 1.039 172 T CA 1.884 63.996 62.100 0.021 0.000 1.142 172 T CB -0.262 68.591 68.868 -0.025 0.000 0.866 172 T HN 0.620 nan 8.240 nan 0.000 0.444 173 S N 1.567 117.313 115.700 0.076 0.000 2.382 173 S HA -0.151 4.426 4.470 0.178 0.000 0.228 173 S C 2.141 176.810 174.600 0.115 0.000 1.027 173 S CA 1.552 59.803 58.200 0.086 0.000 0.991 173 S CB -1.214 62.034 63.200 0.079 0.000 0.823 173 S HN 0.492 nan 8.310 nan 0.000 0.469 174 T N 2.620 117.259 114.554 0.142 0.000 2.777 174 T HA 0.140 4.597 4.350 0.178 0.000 0.266 174 T C 2.220 177.024 174.700 0.173 0.000 1.040 174 T CA 1.311 63.500 62.100 0.149 0.000 1.141 174 T CB -0.772 68.182 68.868 0.143 0.000 0.868 174 T HN 0.632 nan 8.240 nan 0.000 0.444 175 A N 1.264 124.188 122.820 0.174 0.000 1.930 175 A HA -0.069 4.358 4.320 0.178 0.000 0.217 175 A C 2.486 180.226 177.584 0.259 0.000 1.175 175 A CA 1.788 53.976 52.037 0.252 0.000 0.627 175 A CB -0.881 18.250 19.000 0.219 0.000 0.815 175 A HN 0.484 nan 8.150 nan 0.000 0.443 176 T N -0.391 114.257 114.554 0.156 0.000 2.976 176 T HA -0.011 4.446 4.350 0.178 0.000 0.257 176 T C 1.079 175.915 174.700 0.226 0.000 1.051 176 T CA 1.168 63.353 62.100 0.142 0.000 1.141 176 T CB -0.144 68.751 68.868 0.046 0.000 0.881 176 T HN 0.440 nan 8.240 nan 0.000 0.461 177 D N 0.263 120.765 120.400 0.171 0.000 2.327 177 D HA 0.268 5.015 4.640 0.178 0.000 0.205 177 D C 1.667 178.046 176.300 0.132 0.000 0.989 177 D CA 0.413 54.498 54.000 0.141 0.000 0.873 177 D CB 0.446 41.307 40.800 0.101 0.000 0.955 177 D HN 0.379 nan 8.370 nan 0.000 0.515 178 I N -0.500 120.165 120.570 0.159 0.000 3.534 178 I HA -0.054 4.222 4.170 0.178 0.000 0.251 178 I C 2.145 178.368 176.117 0.176 0.000 1.136 178 I CA 0.136 61.518 61.300 0.137 0.000 1.475 178 I CB 0.022 38.099 38.000 0.128 0.000 1.526 178 I HN -0.247 nan 8.210 nan 0.000 0.454 179 V N 1.377 121.448 119.914 0.263 0.000 2.261 179 V HA -0.298 3.929 4.120 0.178 0.000 0.246 179 V C 2.146 178.510 176.094 0.450 0.000 1.047 179 V CA 2.192 64.691 62.300 0.331 0.000 1.015 179 V CB -0.844 31.205 31.823 0.377 0.000 0.642 179 V HN 0.652 nan 8.190 nan 0.000 0.446 180 W N 2.222 123.740 121.300 0.364 0.000 2.333 180 W HA -0.165 4.601 4.660 0.177 0.000 0.316 180 W C -0.504 176.144 176.519 0.215 0.000 1.215 180 W CA 1.921 59.464 57.345 0.330 0.000 1.278 180 W CB -1.565 27.922 29.460 0.045 0.000 1.154 180 W HN 0.339 nan 8.180 nan 0.000 0.486 181 P HA -0.215 nan 4.420 nan 0.000 0.216 181 P C 1.938 179.117 177.300 -0.202 0.000 1.150 181 P CA 2.098 64.989 63.100 -0.349 0.000 0.837 181 P CB -0.438 31.187 31.700 -0.125 0.000 0.786 182 L N -1.386 119.805 121.223 -0.054 0.000 2.017 182 L HA -0.150 4.297 4.340 0.178 0.000 0.208 182 L C 2.397 179.265 176.870 -0.002 0.000 1.073 182 L CA 1.347 56.175 54.840 -0.020 0.000 0.745 182 L CB -1.171 40.894 42.059 0.009 0.000 0.894 182 L HN -0.139 nan 8.230 nan 0.000 0.432 183 V N -0.257 119.690 119.914 0.055 0.000 2.407 183 V HA -0.279 3.948 4.120 0.178 0.000 0.248 183 V C 2.666 178.782 176.094 0.036 0.000 1.055 183 V CA 1.724 64.102 62.300 0.129 0.000 1.049 183 V CB -0.647 31.396 31.823 0.367 0.000 0.662 183 V HN 0.430 nan 8.190 nan 0.000 0.455 184 R N 0.251 120.575 120.500 -0.293 0.000 2.096 184 R HA -0.181 4.266 4.340 0.178 0.000 0.235 184 R C 2.243 178.520 176.300 -0.038 0.000 1.127 184 R CA 1.796 57.668 56.100 -0.380 0.000 0.968 184 R CB -0.236 29.496 30.300 -0.946 0.000 0.861 184 R HN 0.532 nan 8.270 nan 0.000 0.440 185 N N 0.951 119.638 118.700 -0.023 0.000 2.069 185 N HA -0.168 4.679 4.740 0.178 0.000 0.191 185 N C 1.207 176.882 175.510 0.276 0.000 1.031 185 N CA 1.539 54.676 53.050 0.146 0.000 0.852 185 N CB -0.421 38.154 38.487 0.147 0.000 1.018 185 N HN 0.285 nan 8.380 nan 0.000 0.423 186 D N 0.646 121.167 120.400 0.202 0.000 2.149 186 D HA -0.011 4.736 4.640 0.178 0.000 0.201 186 D C 2.187 178.680 176.300 0.323 0.000 0.972 186 D CA 0.330 54.472 54.000 0.236 0.000 0.835 186 D CB -0.080 40.800 40.800 0.133 0.000 0.966 186 D HN 0.230 nan 8.370 nan 0.000 0.476 187 L N 0.647 122.057 121.223 0.311 0.000 2.093 187 L HA -0.133 4.314 4.340 0.178 0.000 0.208 187 L C 2.498 179.674 176.870 0.510 0.000 1.085 187 L CA 0.757 55.836 54.840 0.399 0.000 0.755 187 L CB -0.347 41.966 42.059 0.424 0.000 0.904 187 L HN -0.076 nan 8.230 nan 0.000 0.435 188 S N -1.003 114.927 115.700 0.383 0.000 2.382 188 S HA -0.233 4.344 4.470 0.178 0.000 0.228 188 S C 1.853 176.572 174.600 0.197 0.000 1.027 188 S CA 1.233 59.392 58.200 -0.067 0.000 0.991 188 S CB -0.417 62.366 63.200 -0.694 0.000 0.823 188 S HN 0.397 nan 8.310 nan 0.000 0.469 189 Y N 2.452 122.990 120.300 0.397 0.000 2.097 189 Y HA -0.197 4.459 4.550 0.177 0.000 0.282 189 Y C 2.249 178.425 175.900 0.461 0.000 1.152 189 Y CA 1.371 59.791 58.100 0.534 0.000 1.136 189 Y CB -0.604 38.086 38.460 0.382 0.000 0.975 189 Y HN 0.021 nan 8.280 nan 0.000 0.498 190 V N 0.449 120.678 119.914 0.524 0.000 2.295 190 V HA -0.346 3.881 4.120 0.178 0.000 0.246 190 V C 2.674 179.018 176.094 0.416 0.000 1.049 190 V CA 1.917 64.479 62.300 0.437 0.000 1.024 190 V CB -1.639 30.398 31.823 0.356 0.000 0.648 190 V HN 0.577 nan 8.190 nan 0.000 0.447 191 A N -0.893 122.162 122.820 0.392 0.000 1.933 191 A HA -0.306 4.121 4.320 0.178 0.000 0.218 191 A C 2.264 180.015 177.584 0.278 0.000 1.175 191 A CA 2.171 54.461 52.037 0.421 0.000 0.628 191 A CB -0.499 18.792 19.000 0.486 0.000 0.814 191 A HN 0.618 nan 8.150 nan 0.000 0.444 192 Q N -2.306 117.510 119.800 0.028 0.000 2.137 192 Q HA -0.109 4.338 4.340 0.178 0.000 0.198 192 Q C 0.919 176.611 176.000 -0.513 0.000 0.960 192 Q CA 1.389 57.004 55.803 -0.314 0.000 0.847 192 Q CB -0.022 28.407 28.738 -0.515 0.000 0.915 192 Q HN 0.769 nan 8.270 nan 0.000 0.448 193 Y N -0.976 119.198 120.300 -0.210 0.000 2.481 193 Y HA 0.028 4.684 4.550 0.177 0.000 0.247 193 Y C 1.481 177.287 175.900 -0.157 0.000 1.151 193 Y CA -0.667 57.250 58.100 -0.305 0.000 1.238 193 Y CB -0.014 38.071 38.460 -0.625 0.000 1.179 193 Y HN 0.335 nan 8.280 nan 0.000 0.524 194 W N 0.544 121.892 121.300 0.081 0.000 2.342 194 W HA -0.223 4.543 4.660 0.178 0.000 0.297 194 W C 0.776 177.366 176.519 0.118 0.000 1.213 194 W CA 1.436 58.860 57.345 0.130 0.000 1.251 194 W CB -0.894 28.651 29.460 0.142 0.000 1.136 194 W HN 0.179 nan 8.180 nan 0.000 0.526 195 N N 0.906 119.055 118.700 -0.918 0.000 2.362 195 N HA -0.050 4.796 4.740 0.178 0.000 0.211 195 N C -0.026 175.225 175.510 -0.431 0.000 1.170 195 N CA 0.092 52.540 53.050 -1.003 0.000 0.828 195 N CB 0.081 37.537 38.487 -1.719 0.000 1.034 195 N HN 0.056 nan 8.380 nan 0.000 0.475 196 Q N 0.628 120.316 119.800 -0.186 0.000 2.306 196 Q HA 0.192 4.639 4.340 0.178 0.000 0.265 196 Q C 0.042 176.057 176.000 0.026 0.000 1.022 196 Q CA -0.448 55.315 55.803 -0.067 0.000 0.853 196 Q CB 1.786 30.528 28.738 0.008 0.000 1.327 196 Q HN 0.204 nan 8.270 nan 0.000 0.449 197 T N -1.496 113.067 114.554 0.014 0.000 2.898 197 T HA 0.709 5.166 4.350 0.178 0.000 0.301 197 T C 0.437 175.148 174.700 0.019 0.000 1.049 197 T CA 0.020 62.137 62.100 0.028 0.000 1.095 197 T CB 1.179 70.037 68.868 -0.017 0.000 0.976 197 T HN 0.663 nan 8.240 nan 0.000 0.539 198 G N 0.117 108.917 108.800 -0.001 0.000 2.619 198 G HA2 0.513 4.580 3.960 0.178 0.000 0.305 198 G HA3 0.513 4.580 3.960 0.178 0.000 0.305 198 G C -1.916 172.923 174.900 -0.102 0.000 1.330 198 G CA -1.129 43.969 45.100 -0.003 0.000 0.789 198 G HN 0.668 nan 8.290 nan 0.000 0.487 199 Y N 1.373 121.726 120.300 0.088 0.000 2.335 199 Y HA 0.368 5.025 4.550 0.177 0.000 0.323 199 Y C 1.094 177.039 175.900 0.076 0.000 1.224 199 Y CA -0.326 57.816 58.100 0.069 0.000 1.241 199 Y CB 1.002 39.489 38.460 0.045 0.000 1.235 199 Y HN 0.628 nan 8.280 nan 0.000 0.492 200 D N 1.725 122.240 120.400 0.192 0.000 2.414 200 D HA -0.033 4.714 4.640 0.178 0.000 0.251 200 D C 1.244 177.563 176.300 0.032 0.000 1.252 200 D CA -0.350 53.700 54.000 0.083 0.000 0.999 200 D CB 0.606 41.415 40.800 0.015 0.000 1.093 200 D HN 0.712 nan 8.370 nan 0.000 0.515 201 L N -2.568 118.548 121.223 -0.178 0.000 2.265 201 L HA 0.034 4.481 4.340 0.178 0.000 0.215 201 L C 1.724 178.481 176.870 -0.188 0.000 1.117 201 L CA 0.565 55.223 54.840 -0.304 0.000 0.782 201 L CB -0.700 40.894 42.059 -0.775 0.000 0.914 201 L HN 0.377 nan 8.230 nan 0.000 0.441 202 W N 0.915 122.223 121.300 0.013 0.000 3.180 202 W HA 0.150 4.910 4.660 0.168 0.000 0.254 202 W C 0.550 177.060 176.519 -0.015 0.000 1.318 202 W CA -0.115 57.221 57.345 -0.016 0.000 1.608 202 W CB 0.006 29.451 29.460 -0.025 0.000 1.124 202 W HN 0.273 nan 8.180 nan 0.000 0.694 203 E N -0.618 119.695 120.200 0.188 0.000 3.070 203 E HA -0.277 4.180 4.350 0.178 0.000 0.285 203 E C 0.381 176.971 176.600 -0.017 0.000 0.972 203 E CA 1.100 57.538 56.400 0.064 0.000 0.915 203 E CB -1.767 27.924 29.700 -0.015 0.000 1.466 203 E HN 0.560 nan 8.360 nan 0.000 0.432 204 E N -0.358 119.926 120.200 0.140 0.000 2.399 204 E HA 0.126 4.583 4.350 0.178 0.000 0.206 204 E C 0.071 176.799 176.600 0.214 0.000 0.812 204 E CA 0.304 56.775 56.400 0.118 0.000 1.138 204 E CB 1.040 30.800 29.700 0.100 0.000 1.140 204 E HN -0.009 nan 8.360 nan 0.000 0.536 205 V N 3.057 123.085 119.914 0.190 0.000 2.350 205 V HA 0.149 4.375 4.120 0.178 0.000 0.276 205 V C -0.267 175.831 176.094 0.007 0.000 1.028 205 V CA -0.766 61.589 62.300 0.092 0.000 0.860 205 V CB 1.121 32.961 31.823 0.028 0.000 0.990 205 V HN 0.209 nan 8.190 nan 0.000 0.453 206 N N 3.841 122.434 118.700 -0.178 0.000 2.430 206 N HA 0.519 5.366 4.740 0.178 0.000 0.265 206 N C 0.240 175.643 175.510 -0.179 0.000 1.100 206 N CA 0.904 53.657 53.050 -0.496 0.000 0.961 206 N CB 1.479 39.533 38.487 -0.723 0.000 1.075 206 N HN 0.911 nan 8.380 nan 0.000 0.478 207 G N 1.481 110.220 108.800 -0.102 0.000 2.566 207 G HA2 0.076 4.143 3.960 0.178 0.000 0.138 207 G HA3 0.076 4.143 3.960 0.178 0.000 0.138 207 G C -1.737 173.248 174.900 0.141 0.000 1.133 207 G CA -0.355 44.771 45.100 0.043 0.000 1.037 207 G HN 0.498 nan 8.290 nan 0.000 0.491 208 S N -0.517 115.357 115.700 0.290 0.000 2.532 208 S HA 0.729 5.306 4.470 0.178 0.000 0.299 208 S C -0.869 174.034 174.600 0.505 0.000 1.105 208 S CA 0.166 58.634 58.200 0.447 0.000 1.018 208 S CB 1.487 65.085 63.200 0.664 0.000 1.021 208 S HN 1.167 nan 8.310 nan 0.000 0.483 209 S N 3.492 119.403 115.700 0.351 0.000 2.500 209 S HA 0.483 5.060 4.470 0.178 0.000 0.301 209 S C 0.516 175.008 174.600 -0.179 0.000 1.092 209 S CA -0.708 57.590 58.200 0.163 0.000 1.030 209 S CB 0.687 63.951 63.200 0.107 0.000 1.031 209 S HN 0.730 nan 8.310 nan 0.000 0.483 210 F N 5.116 124.690 119.950 -0.627 0.000 2.065 210 F HA -0.109 4.545 4.527 0.212 0.000 0.298 210 F C 1.544 177.051 175.800 -0.489 0.000 1.112 210 F CA 2.171 59.522 58.000 -1.081 0.000 1.212 210 F CB -0.455 38.053 39.000 -0.820 0.000 0.975 210 F HN 0.802 nan 8.300 nan 0.000 0.476 211 F N 1.061 120.813 119.950 -0.330 0.000 2.091 211 F HA -0.243 4.386 4.527 0.169 0.000 0.299 211 F C 2.345 177.945 175.800 -0.332 0.000 1.103 211 F CA 2.507 60.327 58.000 -0.300 0.000 1.228 211 F CB -1.087 37.820 39.000 -0.155 0.000 0.984 211 F HN -0.028 nan 8.300 nan 0.000 0.477 212 T N 1.816 116.282 114.554 -0.147 0.000 2.674 212 T HA -0.171 4.285 4.350 0.178 0.000 0.265 212 T C 2.058 176.624 174.700 -0.224 0.000 1.039 212 T CA 1.729 63.744 62.100 -0.142 0.000 1.150 212 T CB -0.356 68.556 68.868 0.074 0.000 0.864 212 T HN 0.151 nan 8.240 nan 0.000 0.427 213 I N 1.876 122.301 120.570 -0.241 0.000 2.163 213 I HA -0.137 4.139 4.170 0.178 0.000 0.243 213 I C 2.946 178.858 176.117 -0.341 0.000 1.085 213 I CA 1.199 62.387 61.300 -0.187 0.000 1.347 213 I CB -1.769 36.138 38.000 -0.155 0.000 1.044 213 I HN 0.191 nan 8.210 nan 0.000 0.408 214 A N 1.173 123.601 122.820 -0.654 0.000 1.883 214 A HA -0.184 4.243 4.320 0.178 0.000 0.217 214 A C 2.437 179.758 177.584 -0.439 0.000 1.186 214 A CA 2.733 54.413 52.037 -0.596 0.000 0.624 214 A CB -1.154 17.309 19.000 -0.895 0.000 0.822 214 A HN 0.369 nan 8.150 nan 0.000 0.444 215 V N -2.503 117.075 119.914 -0.559 0.000 2.548 215 V HA -0.239 3.987 4.120 0.178 0.000 0.249 215 V C 2.084 177.978 176.094 -0.334 0.000 1.055 215 V CA 2.131 64.124 62.300 -0.511 0.000 1.065 215 V CB -1.126 30.283 31.823 -0.690 0.000 0.681 215 V HN 0.597 nan 8.190 nan 0.000 0.462 216 Q N -0.278 119.388 119.800 -0.224 0.000 2.084 216 Q HA -0.197 4.250 4.340 0.178 0.000 0.202 216 Q C 2.376 178.315 176.000 -0.102 0.000 0.978 216 Q CA 1.961 57.716 55.803 -0.081 0.000 0.844 216 Q CB -0.454 28.311 28.738 0.045 0.000 0.898 216 Q HN 0.886 nan 8.270 nan 0.000 0.426 217 H N 1.018 119.960 119.070 -0.213 0.000 2.321 217 H HA -0.142 4.521 4.556 0.178 0.000 0.300 217 H C 2.236 177.426 175.328 -0.231 0.000 1.087 217 H CA 1.773 57.708 56.048 -0.189 0.000 1.319 217 H CB 0.100 29.770 29.762 -0.152 0.000 1.379 217 H HN 0.112 nan 8.280 nan 0.000 0.501 218 R N 0.615 120.760 120.500 -0.591 0.000 2.094 218 R HA -0.155 4.292 4.340 0.178 0.000 0.239 218 R C 2.526 178.510 176.300 -0.527 0.000 1.137 218 R CA 1.666 57.174 56.100 -0.987 0.000 0.943 218 R CB -0.479 29.102 30.300 -1.199 0.000 0.850 218 R HN 0.365 nan 8.270 nan 0.000 0.433 219 A N 1.241 123.863 122.820 -0.330 0.000 1.908 219 A HA -0.143 4.284 4.320 0.178 0.000 0.218 219 A C 2.284 179.830 177.584 -0.063 0.000 1.181 219 A CA 1.448 53.396 52.037 -0.148 0.000 0.627 219 A CB -0.580 18.377 19.000 -0.072 0.000 0.818 219 A HN 0.390 nan 8.150 nan 0.000 0.445 220 L N -0.619 120.556 121.223 -0.080 0.000 2.093 220 L HA -0.145 4.301 4.340 0.178 0.000 0.208 220 L C 2.510 179.353 176.870 -0.045 0.000 1.085 220 L CA 0.984 55.807 54.840 -0.029 0.000 0.755 220 L CB -0.611 41.430 42.059 -0.030 0.000 0.904 220 L HN 0.268 nan 8.230 nan 0.000 0.435 221 V N 0.718 120.573 119.914 -0.097 0.000 2.283 221 V HA -0.250 3.977 4.120 0.178 0.000 0.243 221 V C 2.481 178.621 176.094 0.078 0.000 1.039 221 V CA 2.110 64.408 62.300 -0.003 0.000 1.016 221 V CB -0.642 31.226 31.823 0.075 0.000 0.650 221 V HN 0.617 nan 8.190 nan 0.000 0.449 222 E N 0.934 121.203 120.200 0.115 0.000 2.204 222 E HA -0.090 4.367 4.350 0.178 0.000 0.194 222 E C 2.206 178.885 176.600 0.133 0.000 0.989 222 E CA 1.303 57.787 56.400 0.140 0.000 0.824 222 E CB -0.606 29.189 29.700 0.158 0.000 0.756 222 E HN 0.508 nan 8.360 nan 0.000 0.477 223 G N 1.324 110.194 108.800 0.116 0.000 2.408 223 G HA2 -0.309 3.757 3.960 0.178 0.000 0.217 223 G HA3 -0.309 3.757 3.960 0.178 0.000 0.217 223 G C 1.703 176.700 174.900 0.162 0.000 1.150 223 G CA 0.807 46.027 45.100 0.199 0.000 0.776 223 G HN 0.364 nan 8.290 nan 0.000 0.542 224 S N 0.699 116.425 115.700 0.044 0.000 2.368 224 S HA 0.055 4.632 4.470 0.178 0.000 0.224 224 S C 2.725 177.289 174.600 -0.060 0.000 1.029 224 S CA 1.599 59.768 58.200 -0.053 0.000 0.988 224 S CB -0.433 62.723 63.200 -0.074 0.000 0.838 224 S HN 0.519 nan 8.310 nan 0.000 0.462 225 A N 0.456 123.280 122.820 0.008 0.000 1.933 225 A HA 0.020 4.447 4.320 0.178 0.000 0.218 225 A C 1.947 179.547 177.584 0.026 0.000 1.175 225 A CA 1.473 53.514 52.037 0.008 0.000 0.628 225 A CB -0.987 18.041 19.000 0.047 0.000 0.814 225 A HN 0.650 nan 8.150 nan 0.000 0.444 226 F N 1.089 120.997 119.950 -0.070 0.000 2.134 226 F HA -0.038 4.596 4.527 0.178 0.000 0.299 226 F C 2.507 178.135 175.800 -0.287 0.000 1.097 226 F CA 0.800 58.747 58.000 -0.089 0.000 1.264 226 F CB -0.660 38.361 39.000 0.035 0.000 1.001 226 F HN 0.255 nan 8.300 nan 0.000 0.479 227 A N -0.328 122.193 122.820 -0.499 0.000 1.865 227 A HA -0.227 4.200 4.320 0.178 0.000 0.217 227 A C 2.243 179.378 177.584 -0.750 0.000 1.191 227 A CA 2.589 53.995 52.037 -1.050 0.000 0.623 227 A CB -1.513 17.029 19.000 -0.764 0.000 0.826 227 A HN 0.431 nan 8.150 nan 0.000 0.444 228 T N 0.437 114.733 114.554 -0.429 0.000 2.684 228 T HA -0.101 4.356 4.350 0.178 0.000 0.267 228 T C 2.189 176.701 174.700 -0.314 0.000 1.036 228 T CA 1.889 63.804 62.100 -0.308 0.000 1.148 228 T CB -0.571 68.183 68.868 -0.190 0.000 0.863 228 T HN 0.646 nan 8.240 nan 0.000 0.436 229 A N 1.314 123.952 122.820 -0.304 0.000 1.978 229 A HA -0.047 4.380 4.320 0.178 0.000 0.220 229 A C 2.422 179.799 177.584 -0.346 0.000 1.170 229 A CA 1.682 53.567 52.037 -0.253 0.000 0.636 229 A CB -0.821 18.098 19.000 -0.134 0.000 0.810 229 A HN 0.557 nan 8.150 nan 0.000 0.448 230 V N -3.717 115.848 119.914 -0.581 0.000 3.646 230 V HA 0.510 4.736 4.120 0.178 0.000 0.277 230 V C 1.247 177.091 176.094 -0.417 0.000 1.274 230 V CA 0.572 62.539 62.300 -0.556 0.000 1.164 230 V CB -0.995 30.333 31.823 -0.825 0.000 0.926 230 V HN 1.496 nan 8.190 nan 0.000 0.442 231 G N -0.163 108.420 108.800 -0.362 0.000 2.147 231 G HA2 -0.260 3.807 3.960 0.178 0.000 0.244 231 G HA3 -0.260 3.807 3.960 0.178 0.000 0.244 231 G C 0.173 174.916 174.900 -0.261 0.000 1.005 231 G CA 0.640 45.589 45.100 -0.251 0.000 0.713 231 G HN 1.017 nan 8.290 nan 0.000 0.515 232 S N -1.247 114.208 115.700 -0.408 0.000 2.841 232 S HA 0.938 5.515 4.470 0.178 0.000 0.274 232 S C 0.339 174.750 174.600 -0.316 0.000 1.044 232 S CA 0.963 58.955 58.200 -0.348 0.000 0.952 232 S CB 1.598 64.485 63.200 -0.522 0.000 1.331 232 S HN 1.895 nan 8.310 nan 0.000 0.610 233 S N -1.083 114.462 115.700 -0.259 0.000 2.588 233 S HA 0.558 5.134 4.470 0.178 0.000 0.269 233 S C -1.408 173.022 174.600 -0.283 0.000 1.157 233 S CA -0.751 57.305 58.200 -0.240 0.000 0.824 233 S CB 0.899 64.012 63.200 -0.145 0.000 1.126 233 S HN 0.852 nan 8.310 nan 0.000 0.464 234 C N 2.997 122.058 119.300 -0.398 0.000 3.164 234 C HA 0.633 5.200 4.460 0.178 0.000 0.250 234 C C 1.732 176.327 174.990 -0.659 0.000 1.151 234 C CA 0.181 58.720 59.018 -0.798 0.000 1.449 234 C CB -0.782 26.595 27.740 -0.604 0.000 1.825 234 C HN 1.103 nan 8.230 nan 0.000 0.478 235 S N 2.358 117.764 115.700 -0.490 0.000 2.382 235 S HA -0.177 4.399 4.470 0.178 0.000 0.228 235 S C 1.503 176.100 174.600 -0.006 0.000 1.027 235 S CA 1.520 59.643 58.200 -0.128 0.000 0.991 235 S CB -0.463 62.771 63.200 0.056 0.000 0.823 235 S HN 1.004 nan 8.310 nan 0.000 0.469 236 W N 0.956 122.291 121.300 0.058 0.000 2.402 236 W HA 0.113 4.879 4.660 0.177 0.000 0.286 236 W C 2.074 178.637 176.519 0.075 0.000 1.221 236 W CA 0.251 57.633 57.345 0.061 0.000 1.257 236 W CB -1.250 28.237 29.460 0.046 0.000 1.120 236 W HN 0.262 nan 8.180 nan 0.000 0.551 237 C N 1.540 120.699 119.300 -0.234 0.000 2.429 237 C HA -0.193 4.374 4.460 0.178 0.000 0.277 237 C C 2.365 177.331 174.990 -0.040 0.000 1.262 237 C CA 1.542 60.497 59.018 -0.104 0.000 1.733 237 C CB -1.146 26.477 27.740 -0.197 0.000 2.010 237 C HN 0.357 nan 8.230 nan 0.000 0.483 238 D N 1.025 121.384 120.400 -0.067 0.000 2.149 238 D HA -0.078 4.668 4.640 0.178 0.000 0.201 238 D C 2.364 178.677 176.300 0.021 0.000 0.972 238 D CA 1.851 55.835 54.000 -0.026 0.000 0.835 238 D CB -0.482 40.291 40.800 -0.045 0.000 0.966 238 D HN 0.626 nan 8.370 nan 0.000 0.476 239 S N -0.014 115.718 115.700 0.054 0.000 2.395 239 S HA -0.085 4.492 4.470 0.178 0.000 0.225 239 S C 1.779 176.436 174.600 0.094 0.000 1.027 239 S CA 0.594 58.844 58.200 0.084 0.000 0.965 239 S CB -0.038 63.231 63.200 0.114 0.000 0.812 239 S HN 0.023 nan 8.310 nan 0.000 0.482 240 Q N 1.290 121.152 119.800 0.103 0.000 2.212 240 Q HA 0.363 4.809 4.340 0.178 0.000 0.199 240 Q C 2.521 178.464 176.000 -0.094 0.000 0.950 240 Q CA 1.176 57.015 55.803 0.060 0.000 0.863 240 Q CB -1.009 27.825 28.738 0.160 0.000 0.944 240 Q HN 0.654 nan 8.270 nan 0.000 0.465 241 A N 2.165 124.972 122.820 -0.022 0.000 1.873 241 A HA -0.159 4.268 4.320 0.178 0.000 0.218 241 A C -0.440 177.202 177.584 0.097 0.000 1.193 241 A CA 1.653 53.711 52.037 0.034 0.000 0.629 241 A CB -1.611 17.408 19.000 0.032 0.000 0.826 241 A HN 0.275 nan 8.150 nan 0.000 0.447 242 P HA -0.097 nan 4.420 nan 0.000 0.220 242 P C 1.107 178.402 177.300 -0.008 0.000 1.148 242 P CA 1.013 64.144 63.100 0.051 0.000 0.803 242 P CB -0.013 31.720 31.700 0.054 0.000 0.782 243 E N -0.376 119.792 120.200 -0.053 0.000 2.106 243 E HA -0.074 4.382 4.350 0.178 0.000 0.192 243 E C 2.111 178.525 176.600 -0.310 0.000 0.984 243 E CA 0.875 57.230 56.400 -0.075 0.000 0.806 243 E CB -0.652 29.082 29.700 0.056 0.000 0.750 243 E HN 0.349 nan 8.360 nan 0.000 0.458 244 I N 0.668 120.887 120.570 -0.585 0.000 2.252 244 I HA -0.244 4.033 4.170 0.178 0.000 0.245 244 I C 2.497 178.510 176.117 -0.174 0.000 1.102 244 I CA 0.552 61.499 61.300 -0.588 0.000 1.385 244 I CB -0.248 37.431 38.000 -0.534 0.000 1.064 244 I HN 0.073 nan 8.210 nan 0.000 0.414 245 L N 0.487 121.587 121.223 -0.206 0.000 2.046 245 L HA -0.245 4.202 4.340 0.178 0.000 0.208 245 L C 2.617 179.471 176.870 -0.026 0.000 1.077 245 L CA 1.710 56.387 54.840 -0.272 0.000 0.747 245 L CB -0.654 41.155 42.059 -0.416 0.000 0.896 245 L HN 0.343 nan 8.230 nan 0.000 0.432 246 c N -1.257 117.360 118.600 0.029 0.000 2.413 246 c HA -0.246 4.431 4.570 0.178 0.000 0.276 246 c C 2.735 176.964 174.090 0.232 0.000 1.236 246 c CA 1.112 57.511 56.329 0.117 0.000 1.735 246 c CB -1.058 41.522 42.510 0.116 0.000 2.031 246 c HN 0.724 nan 8.230 nan 0.000 0.474 247 Y N 0.861 121.236 120.300 0.125 0.000 2.224 247 Y HA -0.084 4.577 4.550 0.186 0.000 0.289 247 Y C 2.066 178.183 175.900 0.363 0.000 1.146 247 Y CA 1.635 59.876 58.100 0.234 0.000 1.182 247 Y CB -0.944 37.715 38.460 0.333 0.000 0.983 247 Y HN 0.310 nan 8.280 nan 0.000 0.524 248 L N 0.622 121.974 121.223 0.214 0.000 2.187 248 L HA -0.247 4.200 4.340 0.178 0.000 0.213 248 L C 2.102 179.299 176.870 0.546 0.000 1.100 248 L CA 1.755 56.776 54.840 0.303 0.000 0.765 248 L CB -0.682 41.467 42.059 0.149 0.000 0.904 248 L HN 0.239 nan 8.230 nan 0.000 0.437 249 Q N -1.075 118.975 119.800 0.417 0.000 2.226 249 Q HA -0.125 4.321 4.340 0.178 0.000 0.204 249 Q C 2.338 178.603 176.000 0.442 0.000 0.975 249 Q CA 1.479 57.545 55.803 0.439 0.000 0.866 249 Q CB -0.612 28.280 28.738 0.256 0.000 0.915 249 Q HN 0.509 nan 8.270 nan 0.000 0.440 250 S N 0.491 116.381 115.700 0.317 0.000 2.442 250 S HA -0.051 4.525 4.470 0.178 0.000 0.236 250 S C 1.344 176.092 174.600 0.246 0.000 1.007 250 S CA 0.599 58.932 58.200 0.221 0.000 0.965 250 S CB -0.259 62.983 63.200 0.071 0.000 0.773 250 S HN 0.327 nan 8.310 nan 0.000 0.504 251 F N 0.146 120.287 119.950 0.318 0.000 2.604 251 F HA 0.081 4.711 4.527 0.172 0.000 0.298 251 F C 1.088 176.948 175.800 0.100 0.000 1.131 251 F CA -0.150 57.914 58.000 0.106 0.000 1.457 251 F CB 0.003 39.045 39.000 0.071 0.000 1.095 251 F HN 0.326 nan 8.300 nan 0.000 0.574 252 W N 2.742 124.192 121.300 0.250 0.000 2.356 252 W HA 0.084 4.791 4.660 0.077 0.000 0.311 252 W C 1.073 177.595 176.519 0.005 0.000 1.328 252 W CA 0.085 57.531 57.345 0.167 0.000 1.251 252 W CB 1.110 30.754 29.460 0.305 0.000 1.280 252 W HN 0.013 nan 8.180 nan 0.000 0.524 253 T N 1.545 115.633 114.554 -0.776 0.000 3.067 253 T HA 0.169 4.625 4.350 0.178 0.000 0.257 253 T C 1.400 175.569 174.700 -0.886 0.000 1.105 253 T CA 1.084 62.715 62.100 -0.782 0.000 1.104 253 T CB 0.200 68.466 68.868 -1.003 0.000 0.925 253 T HN 0.944 nan 8.240 nan 0.000 0.498 254 G N 0.676 108.504 108.800 -1.619 0.000 2.253 254 G HA2 -0.261 3.805 3.960 0.178 0.000 0.209 254 G HA3 -0.261 3.805 3.960 0.178 0.000 0.209 254 G C 1.072 175.514 174.900 -0.763 0.000 0.997 254 G CA 0.611 45.146 45.100 -0.943 0.000 0.640 254 G HN 1.326 nan 8.290 nan 0.000 0.496 255 S N -1.002 114.113 115.700 -0.976 0.000 2.648 255 S HA 0.672 5.248 4.470 0.178 0.000 0.270 255 S C 0.288 174.776 174.600 -0.186 0.000 1.082 255 S CA 0.750 58.725 58.200 -0.374 0.000 1.116 255 S CB 0.384 63.550 63.200 -0.057 0.000 1.040 255 S HN 1.782 nan 8.310 nan 0.000 0.572 256 F N -0.071 119.545 119.950 -0.556 0.000 2.789 256 F HA 0.738 5.343 4.527 0.130 0.000 0.319 256 F C -1.764 173.987 175.800 -0.081 0.000 1.168 256 F CA -1.824 56.106 58.000 -0.117 0.000 0.934 256 F CB 0.573 39.545 39.000 -0.047 0.000 1.375 256 F HN -0.113 nan 8.300 nan 0.000 0.480 257 I N 3.052 123.811 120.570 0.315 0.000 2.304 257 I HA 0.322 4.598 4.170 0.178 0.000 0.291 257 I C -0.532 175.616 176.117 0.052 0.000 1.018 257 I CA -0.748 60.564 61.300 0.021 0.000 1.260 257 I CB 1.374 39.127 38.000 -0.412 0.000 1.390 257 I HN 0.545 nan 8.210 nan 0.000 0.475 258 L N 6.475 127.659 121.223 -0.065 0.000 2.455 258 L HA 0.231 4.678 4.340 0.178 0.000 0.272 258 L C 1.341 178.243 176.870 0.053 0.000 1.174 258 L CA 0.526 55.365 54.840 -0.001 0.000 0.869 258 L CB 1.300 43.216 42.059 -0.238 0.000 1.130 258 L HN 0.786 nan 8.230 nan 0.000 0.474 259 A N 4.371 127.228 122.820 0.062 0.000 1.897 259 A HA 0.067 4.494 4.320 0.178 0.000 0.215 259 A C 0.636 178.279 177.584 0.099 0.000 1.181 259 A CA 0.961 53.037 52.037 0.065 0.000 0.620 259 A CB -0.260 18.770 19.000 0.050 0.000 0.821 259 A HN 0.806 nan 8.150 nan 0.000 0.443 260 N N -1.782 116.942 118.700 0.040 0.000 2.308 260 N HA 0.443 5.289 4.740 0.178 0.000 0.283 260 N C -1.948 173.510 175.510 -0.086 0.000 1.105 260 N CA -0.306 52.790 53.050 0.077 0.000 0.840 260 N CB 1.526 40.049 38.487 0.061 0.000 1.633 260 N HN 0.154 nan 8.380 nan 0.000 0.476 261 F N 0.711 120.777 119.950 0.194 0.000 2.415 261 F HA 0.332 4.970 4.527 0.185 0.000 0.348 261 F C 0.401 176.247 175.800 0.077 0.000 1.119 261 F CA -0.466 57.582 58.000 0.080 0.000 1.069 261 F CB 1.253 40.279 39.000 0.043 0.000 1.124 261 F HN 0.118 nan 8.300 nan 0.000 0.472 262 D N 1.721 122.249 120.400 0.213 0.000 2.350 262 D HA 0.431 5.178 4.640 0.178 0.000 0.245 262 D C -0.969 175.382 176.300 0.085 0.000 1.036 262 D CA -0.334 53.773 54.000 0.178 0.000 0.848 262 D CB 2.261 43.150 40.800 0.148 0.000 1.307 262 D HN 0.392 nan 8.370 nan 0.000 0.469 263 S N -0.589 115.145 115.700 0.056 0.000 2.541 263 S HA 0.329 4.906 4.470 0.178 0.000 0.271 263 S C 0.171 174.783 174.600 0.021 0.000 1.133 263 S CA -0.624 57.590 58.200 0.023 0.000 0.876 263 S CB 1.236 64.433 63.200 -0.005 0.000 1.105 263 S HN 0.287 nan 8.310 nan 0.000 0.470 264 S N 2.630 118.340 115.700 0.015 0.000 2.577 264 S HA 0.318 4.894 4.470 0.178 0.000 0.219 264 S C 0.660 175.266 174.600 0.010 0.000 0.962 264 S CA -0.514 57.696 58.200 0.016 0.000 0.921 264 S CB -0.185 63.025 63.200 0.016 0.000 0.789 264 S HN 0.658 nan 8.310 nan 0.000 0.497 265 R N 1.693 122.193 120.500 -0.001 0.000 2.822 265 R HA 0.208 4.654 4.340 0.178 0.000 0.277 265 R C 1.731 178.033 176.300 0.003 0.000 1.102 265 R CA 0.478 56.574 56.100 -0.007 0.000 1.207 265 R CB 0.126 30.401 30.300 -0.042 0.000 1.139 265 R HN 0.465 nan 8.270 nan 0.000 0.557 266 S N -0.156 115.536 115.700 -0.014 0.000 2.399 266 S HA -0.080 4.497 4.470 0.178 0.000 0.231 266 S C 1.568 176.209 174.600 0.069 0.000 1.022 266 S CA 0.845 59.039 58.200 -0.010 0.000 0.983 266 S CB -0.222 62.903 63.200 -0.124 0.000 0.803 266 S HN 0.981 nan 8.310 nan 0.000 0.480 267 G N 0.939 109.757 108.800 0.029 0.000 2.195 267 G HA2 -0.253 3.814 3.960 0.178 0.000 0.246 267 G HA3 -0.253 3.814 3.960 0.178 0.000 0.246 267 G C -0.072 174.873 174.900 0.075 0.000 0.984 267 G CA 0.107 45.271 45.100 0.107 0.000 0.633 267 G HN 0.608 nan 8.290 nan 0.000 0.525 268 K N 1.252 121.543 120.400 -0.181 0.000 2.383 268 K HA 0.487 4.914 4.320 0.178 0.000 0.286 268 K C -0.825 175.744 176.600 -0.051 0.000 1.051 268 K CA 0.001 56.116 56.287 -0.287 0.000 0.974 268 K CB 0.835 33.024 32.500 -0.519 0.000 0.968 268 K HN 0.208 nan 8.250 nan 0.000 0.475 269 D N 1.091 121.523 120.400 0.053 0.000 2.878 269 D HA 0.146 4.893 4.640 0.178 0.000 0.211 269 D C 0.132 176.562 176.300 0.217 0.000 1.271 269 D CA -0.471 53.657 54.000 0.213 0.000 0.845 269 D CB 1.713 42.641 40.800 0.214 0.000 1.679 269 D HN 0.403 nan 8.370 nan 0.000 0.536 270 A N 3.644 126.631 122.820 0.278 0.000 2.131 270 A HA -0.203 4.223 4.320 0.178 0.000 0.220 270 A C 1.818 179.543 177.584 0.234 0.000 1.158 270 A CA 1.546 53.707 52.037 0.206 0.000 0.665 270 A CB -0.532 18.545 19.000 0.128 0.000 0.795 270 A HN 0.709 nan 8.150 nan 0.000 0.460 271 N N 0.799 119.662 118.700 0.271 0.000 2.165 271 N HA -0.283 4.564 4.740 0.178 0.000 0.200 271 N C 1.745 177.388 175.510 0.223 0.000 0.991 271 N CA 3.194 56.287 53.050 0.072 0.000 0.904 271 N CB -0.653 37.868 38.487 0.057 0.000 1.068 271 N HN 0.593 nan 8.380 nan 0.000 0.530 272 T N -2.099 112.564 114.554 0.182 0.000 3.014 272 T HA 0.044 4.501 4.350 0.178 0.000 0.263 272 T C 2.188 177.001 174.700 0.188 0.000 1.078 272 T CA 0.336 62.519 62.100 0.138 0.000 1.135 272 T CB -0.227 68.526 68.868 -0.191 0.000 0.895 272 T HN 0.017 nan 8.240 nan 0.000 0.480 273 L N 1.074 122.385 121.223 0.146 0.000 2.017 273 L HA 0.168 4.614 4.340 0.178 0.000 0.208 273 L C 2.572 179.565 176.870 0.205 0.000 1.073 273 L CA 1.336 56.256 54.840 0.133 0.000 0.745 273 L CB -1.200 40.887 42.059 0.046 0.000 0.894 273 L HN 0.299 nan 8.230 nan 0.000 0.432 274 L N -1.263 120.125 121.223 0.275 0.000 2.083 274 L HA -0.126 4.321 4.340 0.178 0.000 0.209 274 L C 2.531 179.776 176.870 0.624 0.000 1.083 274 L CA 1.259 56.367 54.840 0.447 0.000 0.752 274 L CB -1.188 41.095 42.059 0.374 0.000 0.899 274 L HN 0.392 nan 8.230 nan 0.000 0.433 275 G N -1.123 108.044 108.800 0.613 0.000 2.446 275 G HA2 -0.324 3.742 3.960 0.178 0.000 0.217 275 G HA3 -0.324 3.742 3.960 0.178 0.000 0.217 275 G C 1.809 176.888 174.900 0.298 0.000 1.168 275 G CA 1.081 46.418 45.100 0.395 0.000 0.771 275 G HN 0.349 nan 8.290 nan 0.000 0.551 276 S N 0.704 116.622 115.700 0.362 0.000 2.348 276 S HA -0.142 4.434 4.470 0.178 0.000 0.221 276 S C 2.497 177.238 174.600 0.234 0.000 1.033 276 S CA 1.598 59.980 58.200 0.303 0.000 1.010 276 S CB -0.390 62.964 63.200 0.257 0.000 0.891 276 S HN 0.545 nan 8.310 nan 0.000 0.442 277 I N -1.502 119.152 120.570 0.142 0.000 2.439 277 I HA -0.026 4.251 4.170 0.178 0.000 0.251 277 I C 1.846 177.967 176.117 0.005 0.000 1.139 277 I CA 1.498 62.812 61.300 0.023 0.000 1.438 277 I CB -0.699 37.231 38.000 -0.117 0.000 1.085 277 I HN 0.260 nan 8.210 nan 0.000 0.427 278 H N 1.423 120.622 119.070 0.216 0.000 2.551 278 H HA 0.108 4.771 4.556 0.180 0.000 0.266 278 H C 1.479 176.820 175.328 0.022 0.000 0.977 278 H CA 1.431 57.560 56.048 0.135 0.000 1.163 278 H CB 0.134 29.982 29.762 0.143 0.000 1.381 278 H HN 0.581 nan 8.280 nan 0.000 0.581 279 T N -2.745 111.906 114.554 0.160 0.000 3.132 279 T HA 0.059 4.516 4.350 0.178 0.000 0.274 279 T C 0.218 175.227 174.700 0.515 0.000 1.011 279 T CA -0.570 61.594 62.100 0.108 0.000 0.899 279 T CB -0.920 67.940 68.868 -0.012 0.000 1.089 279 T HN 0.006 nan 8.240 nan 0.000 0.543 280 F N 3.418 123.541 119.950 0.288 0.000 2.578 280 F HA 0.404 5.040 4.527 0.181 0.000 0.381 280 F C -0.094 175.918 175.800 0.354 0.000 1.069 280 F CA -0.964 57.196 58.000 0.266 0.000 1.231 280 F CB 0.355 39.428 39.000 0.123 0.000 1.086 280 F HN 0.084 nan 8.300 nan 0.000 0.564 281 D N 8.786 128.969 120.400 -0.362 0.000 2.425 281 D HA 0.275 5.022 4.640 0.178 0.000 0.240 281 D C -2.012 173.749 176.300 -0.898 0.000 1.080 281 D CA -2.153 51.483 54.000 -0.607 0.000 0.836 281 D CB 2.295 42.688 40.800 -0.678 0.000 1.125 281 D HN 0.285 nan 8.370 nan 0.000 0.525 282 P HA -0.044 nan 4.420 nan 0.000 0.230 282 P C 0.589 177.866 177.300 -0.038 0.000 1.158 282 P CA 0.716 63.540 63.100 -0.460 0.000 0.769 282 P CB 0.608 32.126 31.700 -0.304 0.000 0.807 283 E N -0.270 119.837 120.200 -0.156 0.000 2.385 283 E HA 0.144 4.601 4.350 0.178 0.000 0.194 283 E C 0.887 177.439 176.600 -0.080 0.000 1.013 283 E CA -0.226 56.122 56.400 -0.086 0.000 0.866 283 E CB 0.025 29.643 29.700 -0.136 0.000 0.832 283 E HN 0.190 nan 8.360 nan 0.000 0.500 284 A N 1.533 124.280 122.820 -0.121 0.000 2.425 284 A HA 0.488 4.914 4.320 0.178 0.000 0.249 284 A C 0.406 178.005 177.584 0.026 0.000 1.084 284 A CA 0.048 52.040 52.037 -0.076 0.000 0.781 284 A CB 0.418 19.359 19.000 -0.097 0.000 1.019 284 A HN 0.205 nan 8.150 nan 0.000 0.490 285 A N 0.585 123.419 122.820 0.023 0.000 2.251 285 A HA 0.367 4.794 4.320 0.178 0.000 0.278 285 A C 0.584 178.217 177.584 0.081 0.000 1.206 285 A CA 0.011 52.087 52.037 0.064 0.000 0.822 285 A CB -0.360 18.666 19.000 0.043 0.000 1.187 285 A HN 1.070 nan 8.150 nan 0.000 0.504 286 c N 1.508 120.171 118.600 0.104 0.000 3.247 286 c HA 0.193 4.869 4.570 0.178 0.000 0.573 286 c C -0.288 173.827 174.090 0.041 0.000 1.106 286 c CA -0.678 55.714 56.329 0.105 0.000 1.209 286 c CB -2.652 39.967 42.510 0.183 0.000 1.460 286 c HN 0.484 nan 8.230 nan 0.000 0.634 287 D N 1.483 121.894 120.400 0.019 0.000 2.338 287 D HA 0.037 4.784 4.640 0.178 0.000 0.255 287 D C 0.979 177.211 176.300 -0.114 0.000 1.237 287 D CA 0.288 54.266 54.000 -0.036 0.000 0.883 287 D CB 0.683 41.471 40.800 -0.020 0.000 1.087 287 D HN 0.359 nan 8.370 nan 0.000 0.485 288 D N 0.738 121.014 120.400 -0.206 0.000 2.149 288 D HA -0.166 4.580 4.640 0.178 0.000 0.198 288 D C 1.972 177.894 176.300 -0.630 0.000 0.990 288 D CA 1.154 54.892 54.000 -0.436 0.000 0.839 288 D CB 0.047 40.591 40.800 -0.428 0.000 0.948 288 D HN 0.408 nan 8.370 nan 0.000 0.460 289 S N -0.507 114.983 115.700 -0.350 0.000 2.419 289 S HA -0.133 4.443 4.470 0.178 0.000 0.233 289 S C 1.797 176.309 174.600 -0.146 0.000 1.016 289 S CA 1.695 59.736 58.200 -0.265 0.000 0.974 289 S CB -0.503 62.633 63.200 -0.107 0.000 0.786 289 S HN 0.301 nan 8.310 nan 0.000 0.492 290 T N -2.975 111.558 114.554 -0.035 0.000 3.129 290 T HA 0.410 4.866 4.350 0.178 0.000 0.267 290 T C 0.183 175.129 174.700 0.410 0.000 1.018 290 T CA -0.594 61.658 62.100 0.253 0.000 0.903 290 T CB -1.016 68.041 68.868 0.316 0.000 1.067 290 T HN 0.249 nan 8.240 nan 0.000 0.549 291 F N 1.452 121.489 119.950 0.146 0.000 3.048 291 F HA -0.182 4.428 4.527 0.138 0.000 0.269 291 F C 0.645 176.548 175.800 0.172 0.000 0.960 291 F CA -0.044 58.049 58.000 0.155 0.000 0.909 291 F CB -2.244 36.938 39.000 0.303 0.000 0.837 291 F HN 0.286 nan 8.300 nan 0.000 0.768 292 Q N 0.446 120.392 119.800 0.243 0.000 2.432 292 Q HA 0.007 4.454 4.340 0.178 0.000 0.264 292 Q C -1.007 175.094 176.000 0.168 0.000 1.035 292 Q CA -0.984 54.966 55.803 0.244 0.000 0.908 292 Q CB 0.258 29.114 28.738 0.196 0.000 1.280 292 Q HN 0.043 nan 8.270 nan 0.000 0.455 293 P HA -0.166 nan 4.420 nan 0.000 0.217 293 P C 1.012 178.237 177.300 -0.126 0.000 1.151 293 P CA 1.596 64.682 63.100 -0.024 0.000 0.849 293 P CB 0.076 31.681 31.700 -0.159 0.000 0.787 294 c N -3.450 115.084 118.600 -0.110 0.000 2.791 294 c HA 0.352 5.029 4.570 0.178 0.000 0.270 294 c C 1.240 175.384 174.090 0.089 0.000 1.257 294 c CA -0.521 55.738 56.329 -0.117 0.000 1.699 294 c CB -1.891 40.444 42.510 -0.292 0.000 1.904 294 c HN 0.167 nan 8.230 nan 0.000 0.603 295 S N 1.861 117.589 115.700 0.047 0.000 2.568 295 S HA 0.238 4.815 4.470 0.178 0.000 0.282 295 S C -1.417 173.188 174.600 0.008 0.000 1.338 295 S CA -0.279 57.934 58.200 0.022 0.000 1.045 295 S CB 0.575 63.745 63.200 -0.051 0.000 0.873 295 S HN 0.266 nan 8.310 nan 0.000 0.516 296 P HA -0.110 nan 4.420 nan 0.000 0.216 296 P C 1.508 178.776 177.300 -0.054 0.000 1.150 296 P CA 1.256 64.377 63.100 0.036 0.000 0.843 296 P CB 0.054 31.774 31.700 0.035 0.000 0.787 297 R N -0.418 119.916 120.500 -0.276 0.000 2.080 297 R HA -0.083 4.364 4.340 0.178 0.000 0.236 297 R C 2.329 178.641 176.300 0.019 0.000 1.137 297 R CA 1.759 57.564 56.100 -0.491 0.000 0.943 297 R CB -1.154 28.598 30.300 -0.913 0.000 0.846 297 R HN 0.142 nan 8.270 nan 0.000 0.431 298 A N 0.846 123.701 122.820 0.058 0.000 1.969 298 A HA -0.074 4.352 4.320 0.178 0.000 0.218 298 A C 2.139 179.739 177.584 0.027 0.000 1.169 298 A CA 1.010 53.123 52.037 0.126 0.000 0.635 298 A CB -0.368 18.714 19.000 0.136 0.000 0.810 298 A HN 0.167 nan 8.150 nan 0.000 0.445 299 L N -0.990 120.163 121.223 -0.116 0.000 2.072 299 L HA -0.122 4.324 4.340 0.178 0.000 0.205 299 L C 3.116 179.875 176.870 -0.184 0.000 1.079 299 L CA 0.935 55.504 54.840 -0.451 0.000 0.752 299 L CB -0.604 41.036 42.059 -0.699 0.000 0.906 299 L HN 0.414 nan 8.230 nan 0.000 0.436 300 A N 0.661 123.532 122.820 0.086 0.000 1.883 300 A HA -0.301 4.126 4.320 0.178 0.000 0.217 300 A C 2.035 179.808 177.584 0.316 0.000 1.186 300 A CA 2.419 54.624 52.037 0.280 0.000 0.624 300 A CB -0.886 18.372 19.000 0.430 0.000 0.822 300 A HN 0.511 nan 8.150 nan 0.000 0.444 301 N N -1.116 117.787 118.700 0.340 0.000 2.120 301 N HA -0.231 4.616 4.740 0.178 0.000 0.188 301 N C 1.819 177.452 175.510 0.206 0.000 1.024 301 N CA 1.782 55.018 53.050 0.310 0.000 0.852 301 N CB -0.445 38.223 38.487 0.302 0.000 1.003 301 N HN 0.630 nan 8.380 nan 0.000 0.424 302 H N 0.620 119.749 119.070 0.099 0.000 2.289 302 H HA -0.187 4.416 4.556 0.078 0.000 0.294 302 H C 1.963 177.419 175.328 0.214 0.000 1.095 302 H CA 2.091 58.202 56.048 0.105 0.000 1.256 302 H CB -0.121 29.660 29.762 0.032 0.000 1.359 302 H HN 0.309 nan 8.280 nan 0.000 0.487 303 K N 0.245 120.918 120.400 0.456 0.000 2.057 303 K HA -0.121 4.306 4.320 0.178 0.000 0.207 303 K C 2.205 178.924 176.600 0.198 0.000 1.049 303 K CA 1.518 58.048 56.287 0.406 0.000 0.931 303 K CB 0.109 32.855 32.500 0.411 0.000 0.714 303 K HN 0.286 nan 8.250 nan 0.000 0.440 304 E N 0.373 120.652 120.200 0.132 0.000 2.077 304 E HA -0.160 4.297 4.350 0.178 0.000 0.193 304 E C 2.148 178.676 176.600 -0.120 0.000 0.989 304 E CA 1.359 57.746 56.400 -0.022 0.000 0.800 304 E CB -0.162 29.497 29.700 -0.067 0.000 0.746 304 E HN 0.185 nan 8.360 nan 0.000 0.452 305 V N 1.211 121.081 119.914 -0.073 0.000 2.244 305 V HA -0.211 4.016 4.120 0.178 0.000 0.244 305 V C 2.626 178.750 176.094 0.050 0.000 1.042 305 V CA 1.362 63.624 62.300 -0.063 0.000 1.006 305 V CB -0.627 31.188 31.823 -0.013 0.000 0.641 305 V HN 0.049 nan 8.190 nan 0.000 0.446 306 V N 0.441 120.400 119.914 0.074 0.000 2.287 306 V HA -0.300 3.926 4.120 0.178 0.000 0.248 306 V C 2.284 178.506 176.094 0.213 0.000 1.053 306 V CA 2.358 64.784 62.300 0.211 0.000 1.027 306 V CB -0.848 31.110 31.823 0.225 0.000 0.646 306 V HN 0.545 nan 8.190 nan 0.000 0.447 307 D N 0.453 120.921 120.400 0.114 0.000 2.182 307 D HA -0.147 4.600 4.640 0.178 0.000 0.201 307 D C 2.346 178.585 176.300 -0.102 0.000 0.986 307 D CA 1.664 55.686 54.000 0.035 0.000 0.847 307 D CB -0.347 40.464 40.800 0.020 0.000 0.942 307 D HN 0.619 nan 8.370 nan 0.000 0.467 308 S N -0.710 114.837 115.700 -0.255 0.000 2.500 308 S HA -0.128 4.449 4.470 0.178 0.000 0.239 308 S C 1.450 175.617 174.600 -0.720 0.000 0.989 308 S CA 0.501 58.386 58.200 -0.524 0.000 0.951 308 S CB -0.514 62.256 63.200 -0.716 0.000 0.759 308 S HN 0.182 nan 8.310 nan 0.000 0.523 309 F N 1.042 120.850 119.950 -0.237 0.000 2.695 309 F HA 0.478 5.103 4.527 0.164 0.000 0.303 309 F C 2.308 177.908 175.800 -0.333 0.000 1.091 309 F CA -0.735 57.008 58.000 -0.430 0.000 1.300 309 F CB -0.009 38.791 39.000 -0.333 0.000 1.071 309 F HN 0.043 nan 8.300 nan 0.000 0.578 310 R N 0.099 120.571 120.500 -0.046 0.000 2.075 310 R HA -0.111 4.336 4.340 0.178 0.000 0.232 310 R C 2.273 178.550 176.300 -0.038 0.000 1.126 310 R CA 1.788 57.887 56.100 -0.002 0.000 0.963 310 R CB -0.446 29.866 30.300 0.020 0.000 0.858 310 R HN 0.312 nan 8.270 nan 0.000 0.435 311 S N 0.423 116.067 115.700 -0.093 0.000 2.486 311 S HA 0.015 4.592 4.470 0.178 0.000 0.220 311 S C 1.952 176.499 174.600 -0.088 0.000 1.011 311 S CA 0.096 58.250 58.200 -0.075 0.000 0.921 311 S CB -0.173 62.979 63.200 -0.079 0.000 0.785 311 S HN 0.453 nan 8.310 nan 0.000 0.517 312 I N -2.630 117.831 120.570 -0.181 0.000 3.419 312 I HA 0.349 4.626 4.170 0.178 0.000 0.286 312 I C -0.636 175.470 176.117 -0.017 0.000 1.268 312 I CA -0.262 60.932 61.300 -0.176 0.000 1.414 312 I CB -0.127 37.692 38.000 -0.301 0.000 1.074 312 I HN 0.016 nan 8.210 nan 0.000 0.457 313 Y N 1.533 121.830 120.300 -0.005 0.000 2.328 313 Y HA 0.391 5.049 4.550 0.179 0.000 0.337 313 Y C 1.564 177.447 175.900 -0.028 0.000 0.966 313 Y CA -1.871 56.211 58.100 -0.030 0.000 1.136 313 Y CB 1.329 39.763 38.460 -0.044 0.000 1.170 313 Y HN -0.130 nan 8.280 nan 0.000 0.470 314 T N 2.576 117.203 114.554 0.122 0.000 2.881 314 T HA -0.161 4.296 4.350 0.178 0.000 0.270 314 T C 1.992 176.720 174.700 0.047 0.000 1.068 314 T CA 0.982 63.115 62.100 0.055 0.000 1.131 314 T CB -0.101 68.780 68.868 0.022 0.000 0.871 314 T HN 0.514 nan 8.240 nan 0.000 0.479 315 L N 1.916 123.162 121.223 0.040 0.000 2.187 315 L HA -0.034 4.413 4.340 0.178 0.000 0.213 315 L C 1.524 178.434 176.870 0.067 0.000 1.100 315 L CA 1.585 56.439 54.840 0.024 0.000 0.765 315 L CB -0.544 41.483 42.059 -0.054 0.000 0.904 315 L HN 0.134 nan 8.230 nan 0.000 0.437 316 N N -0.616 118.145 118.700 0.101 0.000 2.336 316 N HA -0.005 4.842 4.740 0.178 0.000 0.189 316 N C -0.189 175.355 175.510 0.056 0.000 1.113 316 N CA 0.042 53.146 53.050 0.091 0.000 0.858 316 N CB -0.319 38.242 38.487 0.124 0.000 0.970 316 N HN 0.316 nan 8.380 nan 0.000 0.471 317 D N 0.118 120.546 120.400 0.045 0.000 2.525 317 D HA 0.160 4.907 4.640 0.178 0.000 0.235 317 D C 1.506 177.818 176.300 0.020 0.000 1.137 317 D CA 1.212 55.229 54.000 0.027 0.000 0.868 317 D CB 0.354 41.167 40.800 0.021 0.000 1.180 317 D HN 0.353 nan 8.370 nan 0.000 0.465 318 G N 1.539 110.348 108.800 0.014 0.000 2.205 318 G HA2 -0.284 3.783 3.960 0.178 0.000 0.261 318 G HA3 -0.284 3.783 3.960 0.178 0.000 0.261 318 G C 0.363 175.268 174.900 0.009 0.000 0.980 318 G CA 0.138 45.243 45.100 0.009 0.000 0.632 318 G HN 0.468 nan 8.290 nan 0.000 0.533 319 L N 1.815 123.047 121.223 0.015 0.000 2.350 319 L HA 0.581 5.027 4.340 0.178 0.000 0.275 319 L C 1.292 178.172 176.870 0.017 0.000 1.099 319 L CA -0.039 54.810 54.840 0.016 0.000 0.808 319 L CB 1.492 43.564 42.059 0.022 0.000 1.149 319 L HN 0.406 nan 8.230 nan 0.000 0.442 320 S N -0.235 115.472 115.700 0.012 0.000 2.693 320 S HA 0.203 4.779 4.470 0.178 0.000 0.276 320 S C 0.432 175.042 174.600 0.016 0.000 1.192 320 S CA -0.782 57.422 58.200 0.007 0.000 0.994 320 S CB 1.311 64.508 63.200 -0.006 0.000 1.012 320 S HN 0.593 nan 8.310 nan 0.000 0.550 321 D N 0.795 121.196 120.400 0.002 0.000 2.378 321 D HA -0.006 4.741 4.640 0.178 0.000 0.222 321 D C 1.715 177.980 176.300 -0.059 0.000 0.980 321 D CA 1.250 55.251 54.000 0.001 0.000 0.907 321 D CB -0.255 40.538 40.800 -0.013 0.000 0.899 321 D HN 0.642 nan 8.370 nan 0.000 0.527 322 S N -0.986 114.667 115.700 -0.078 0.000 2.548 322 S HA 0.086 4.663 4.470 0.178 0.000 0.215 322 S C 0.630 175.192 174.600 -0.063 0.000 0.976 322 S CA -0.352 57.745 58.200 -0.173 0.000 0.908 322 S CB 0.329 63.455 63.200 -0.124 0.000 0.781 322 S HN 0.096 nan 8.310 nan 0.000 0.519 323 E N 1.251 121.497 120.200 0.078 0.000 2.202 323 E HA 0.668 5.125 4.350 0.178 0.000 0.272 323 E C -0.414 176.303 176.600 0.196 0.000 0.951 323 E CA -0.826 55.656 56.400 0.137 0.000 0.813 323 E CB 1.653 31.375 29.700 0.036 0.000 1.151 323 E HN 0.353 nan 8.360 nan 0.000 0.398 324 A N 1.674 124.415 122.820 -0.132 0.000 2.406 324 A HA 0.411 4.838 4.320 0.178 0.000 0.243 324 A C 0.127 177.471 177.584 -0.400 0.000 1.082 324 A CA -0.356 51.168 52.037 -0.855 0.000 0.786 324 A CB 0.244 18.264 19.000 -1.633 0.000 1.029 324 A HN 0.433 nan 8.150 nan 0.000 0.495 325 V N -2.266 117.472 119.914 -0.292 0.000 3.130 325 V HA 0.871 5.097 4.120 0.178 0.000 0.310 325 V C 0.216 176.399 176.094 0.148 0.000 1.158 325 V CA -0.683 61.629 62.300 0.020 0.000 1.029 325 V CB 1.098 32.999 31.823 0.129 0.000 1.057 325 V HN 1.861 nan 8.190 nan 0.000 0.436 326 A N 1.490 124.411 122.820 0.168 0.000 2.488 326 A HA 0.616 5.043 4.320 0.178 0.000 0.249 326 A C -0.118 177.516 177.584 0.082 0.000 1.083 326 A CA -0.061 52.072 52.037 0.160 0.000 0.768 326 A CB -0.051 18.983 19.000 0.057 0.000 1.017 326 A HN 1.420 nan 8.150 nan 0.000 0.496 327 V N 3.398 123.257 119.914 -0.092 0.000 2.448 327 V HA 0.611 4.838 4.120 0.178 0.000 0.295 327 V C 1.031 176.671 176.094 -0.755 0.000 1.025 327 V CA 0.142 62.148 62.300 -0.490 0.000 0.859 327 V CB 1.273 32.916 31.823 -0.300 0.000 0.988 327 V HN 1.178 nan 8.190 nan 0.000 0.431 328 G N 3.691 111.606 108.800 -1.476 0.000 2.641 328 G HA2 0.374 4.440 3.960 0.178 0.000 0.239 328 G HA3 0.374 4.440 3.960 0.178 0.000 0.239 328 G C 0.614 175.012 174.900 -0.838 0.000 1.402 328 G CA -0.453 44.097 45.100 -0.917 0.000 1.046 328 G HN 0.586 nan 8.290 nan 0.000 0.565 329 R N -1.237 118.832 120.500 -0.718 0.000 2.052 329 R HA 0.150 4.597 4.340 0.178 0.000 0.224 329 R C -0.124 176.238 176.300 0.103 0.000 1.149 329 R CA 1.153 56.864 56.100 -0.649 0.000 0.962 329 R CB -0.211 29.184 30.300 -1.508 0.000 0.856 329 R HN 0.618 nan 8.270 nan 0.000 0.433 330 Y N -3.775 116.580 120.300 0.090 0.000 2.552 330 Y HA 0.366 5.019 4.550 0.172 0.000 0.337 330 Y C -2.595 173.288 175.900 -0.029 0.000 1.094 330 Y CA -2.841 55.304 58.100 0.075 0.000 1.028 330 Y CB 0.929 39.383 38.460 -0.011 0.000 1.321 330 Y HN -0.171 nan 8.280 nan 0.000 0.456 331 P HA -0.100 nan 4.420 nan 0.000 0.222 331 P C 0.077 177.297 177.300 -0.134 0.000 1.147 331 P CA 1.550 64.435 63.100 -0.359 0.000 0.790 331 P CB 0.350 31.752 31.700 -0.498 0.000 0.780 332 E N -0.540 119.687 120.200 0.046 0.000 2.489 332 E HA 0.009 4.466 4.350 0.178 0.000 0.193 332 E C 0.510 177.159 176.600 0.082 0.000 1.057 332 E CA -0.038 56.428 56.400 0.111 0.000 0.866 332 E CB -0.731 29.089 29.700 0.199 0.000 0.916 332 E HN 0.206 nan 8.360 nan 0.000 0.500 333 D N 0.547 120.781 120.400 -0.276 0.000 2.493 333 D HA -0.051 4.696 4.640 0.178 0.000 0.240 333 D C 0.771 177.011 176.300 -0.099 0.000 1.142 333 D CA 0.600 54.318 54.000 -0.471 0.000 0.872 333 D CB 0.847 41.096 40.800 -0.919 0.000 1.173 333 D HN 0.139 nan 8.370 nan 0.000 0.467 334 T N 0.990 115.557 114.554 0.021 0.000 3.043 334 T HA 0.033 4.490 4.350 0.178 0.000 0.272 334 T C 0.583 175.356 174.700 0.121 0.000 0.990 334 T CA -0.539 61.597 62.100 0.060 0.000 0.897 334 T CB -0.505 68.400 68.868 0.061 0.000 1.111 334 T HN 0.296 nan 8.240 nan 0.000 0.529 335 Y N 2.720 123.032 120.300 0.021 0.000 2.605 335 Y HA 0.287 4.942 4.550 0.176 0.000 0.336 335 Y C 0.052 176.065 175.900 0.187 0.000 1.111 335 Y CA -1.199 56.961 58.100 0.100 0.000 1.422 335 Y CB -0.694 37.874 38.460 0.179 0.000 1.193 335 Y HN 0.403 nan 8.280 nan 0.000 0.526 336 Y N 5.103 125.232 120.300 -0.285 0.000 3.825 336 Y HA -0.433 4.223 4.550 0.177 0.000 0.221 336 Y C 1.057 176.853 175.900 -0.173 0.000 1.195 336 Y CA 1.097 59.015 58.100 -0.304 0.000 1.699 336 Y CB -1.647 36.524 38.460 -0.482 0.000 1.531 336 Y HN 0.901 nan 8.280 nan 0.000 0.640 337 N N -2.658 116.035 118.700 -0.011 0.000 2.962 337 N HA -0.149 4.698 4.740 0.178 0.000 0.206 337 N C 0.497 176.012 175.510 0.008 0.000 0.907 337 N CA 1.902 54.947 53.050 -0.007 0.000 1.029 337 N CB -1.326 37.147 38.487 -0.024 0.000 1.009 337 N HN 1.560 nan 8.380 nan 0.000 0.587 338 G N 0.822 109.630 108.800 0.014 0.000 3.269 338 G HA2 -0.141 3.926 3.960 0.178 0.000 0.668 338 G HA3 -0.141 3.926 3.960 0.178 0.000 0.668 338 G C -0.867 174.023 174.900 -0.017 0.000 1.100 338 G CA -0.003 45.105 45.100 0.014 0.000 0.940 338 G HN 0.407 nan 8.290 nan 0.000 0.438 339 N N 2.343 120.976 118.700 -0.111 0.000 2.405 339 N HA 0.626 5.473 4.740 0.178 0.000 0.285 339 N C -2.939 172.262 175.510 -0.514 0.000 1.262 339 N CA -1.457 51.324 53.050 -0.448 0.000 0.773 339 N CB 2.614 40.832 38.487 -0.448 0.000 1.490 339 N HN 0.213 nan 8.380 nan 0.000 0.486 340 P HA 0.025 nan 4.420 nan 0.000 0.265 340 P C -0.813 176.057 177.300 -0.716 0.000 1.187 340 P CA 0.450 62.952 63.100 -0.997 0.000 0.766 340 P CB 0.292 30.949 31.700 -1.739 0.000 0.820 341 W N 2.658 123.523 121.300 -0.726 0.000 2.632 341 W HA 0.371 5.141 4.660 0.184 0.000 0.328 341 W C 0.932 177.319 176.519 -0.219 0.000 1.044 341 W CA -0.391 56.674 57.345 -0.467 0.000 1.225 341 W CB 0.050 29.269 29.460 -0.401 0.000 1.396 341 W HN 0.396 nan 8.180 nan 0.000 0.499 342 F N 1.849 121.908 119.950 0.182 0.000 2.069 342 F HA -0.280 4.353 4.527 0.178 0.000 0.298 342 F C 2.326 178.171 175.800 0.074 0.000 1.113 342 F CA 2.123 60.212 58.000 0.149 0.000 1.214 342 F CB -1.168 37.832 39.000 0.001 0.000 0.978 342 F HN 0.277 nan 8.300 nan 0.000 0.474 343 L N -1.852 119.486 121.223 0.192 0.000 2.131 343 L HA -0.130 4.316 4.340 0.178 0.000 0.210 343 L C 1.994 178.889 176.870 0.042 0.000 1.092 343 L CA 1.390 56.254 54.840 0.040 0.000 0.759 343 L CB -1.805 40.067 42.059 -0.312 0.000 0.903 343 L HN 0.130 nan 8.230 nan 0.000 0.435 344 C N 0.015 119.331 119.300 0.026 0.000 2.475 344 C HA -0.031 4.536 4.460 0.178 0.000 0.279 344 C C 2.726 177.668 174.990 -0.081 0.000 1.322 344 C CA 1.113 60.097 59.018 -0.056 0.000 1.734 344 C CB -1.167 26.455 27.740 -0.196 0.000 2.005 344 C HN 0.668 nan 8.230 nan 0.000 0.495 345 T N 1.758 116.304 114.554 -0.014 0.000 2.821 345 T HA -0.084 4.373 4.350 0.178 0.000 0.267 345 T C 1.693 176.403 174.700 0.017 0.000 1.046 345 T CA 1.178 63.295 62.100 0.029 0.000 1.139 345 T CB -0.274 68.707 68.868 0.187 0.000 0.871 345 T HN 0.452 nan 8.240 nan 0.000 0.454 346 L N 0.714 121.990 121.223 0.090 0.000 2.093 346 L HA -0.009 4.438 4.340 0.178 0.000 0.208 346 L C 3.017 179.908 176.870 0.036 0.000 1.085 346 L CA 0.974 55.880 54.840 0.111 0.000 0.755 346 L CB -0.623 41.544 42.059 0.180 0.000 0.904 346 L HN 0.231 nan 8.230 nan 0.000 0.435 347 A N 0.153 122.980 122.820 0.013 0.000 1.902 347 A HA -0.201 4.226 4.320 0.178 0.000 0.217 347 A C 2.552 180.066 177.584 -0.117 0.000 1.181 347 A CA 1.756 53.788 52.037 -0.009 0.000 0.623 347 A CB -0.716 18.308 19.000 0.040 0.000 0.818 347 A HN 0.395 nan 8.150 nan 0.000 0.443 348 A N -0.093 122.557 122.820 -0.283 0.000 1.908 348 A HA 0.106 4.532 4.320 0.178 0.000 0.218 348 A C 2.524 179.820 177.584 -0.479 0.000 1.181 348 A CA 2.297 54.019 52.037 -0.526 0.000 0.627 348 A CB -1.064 17.223 19.000 -1.188 0.000 0.818 348 A HN 1.083 nan 8.150 nan 0.000 0.445 349 A N -0.389 122.153 122.820 -0.465 0.000 1.877 349 A HA -0.189 4.237 4.320 0.178 0.000 0.216 349 A C 2.041 179.398 177.584 -0.379 0.000 1.186 349 A CA 1.908 53.726 52.037 -0.364 0.000 0.620 349 A CB -0.609 18.339 19.000 -0.087 0.000 0.822 349 A HN 0.681 nan 8.150 nan 0.000 0.443 350 E N -0.588 119.552 120.200 -0.100 0.000 2.077 350 E HA -0.275 4.181 4.350 0.178 0.000 0.193 350 E C 2.196 178.728 176.600 -0.113 0.000 0.989 350 E CA 1.403 57.810 56.400 0.011 0.000 0.800 350 E CB -0.193 29.530 29.700 0.038 0.000 0.746 350 E HN 0.738 nan 8.360 nan 0.000 0.452 351 Q N 0.166 119.886 119.800 -0.132 0.000 2.084 351 Q HA -0.182 4.265 4.340 0.178 0.000 0.202 351 Q C 2.318 178.165 176.000 -0.256 0.000 0.978 351 Q CA 1.427 57.136 55.803 -0.157 0.000 0.844 351 Q CB -0.026 28.698 28.738 -0.024 0.000 0.898 351 Q HN 0.400 nan 8.270 nan 0.000 0.426 352 L N -0.535 120.516 121.223 -0.285 0.000 2.027 352 L HA -0.202 4.244 4.340 0.178 0.000 0.206 352 L C 2.317 179.060 176.870 -0.212 0.000 1.074 352 L CA 1.077 55.745 54.840 -0.287 0.000 0.745 352 L CB -0.727 41.186 42.059 -0.243 0.000 0.898 352 L HN 0.255 nan 8.230 nan 0.000 0.433 353 Y N 0.480 120.721 120.300 -0.097 0.000 2.165 353 Y HA -0.266 4.398 4.550 0.190 0.000 0.286 353 Y C 2.476 178.268 175.900 -0.180 0.000 1.155 353 Y CA 0.940 58.993 58.100 -0.080 0.000 1.164 353 Y CB -0.869 37.566 38.460 -0.042 0.000 0.978 353 Y HN 0.240 nan 8.280 nan 0.000 0.513 354 D N -0.436 119.828 120.400 -0.227 0.000 2.097 354 D HA -0.150 4.597 4.640 0.178 0.000 0.195 354 D C 2.330 178.381 176.300 -0.415 0.000 0.989 354 D CA 1.487 55.110 54.000 -0.628 0.000 0.827 354 D CB -0.591 39.574 40.800 -1.058 0.000 0.966 354 D HN 0.294 nan 8.370 nan 0.000 0.456 355 A N 0.661 123.204 122.820 -0.462 0.000 1.908 355 A HA -0.150 4.277 4.320 0.178 0.000 0.218 355 A C 2.406 179.490 177.584 -0.834 0.000 1.181 355 A CA 1.035 52.595 52.037 -0.795 0.000 0.627 355 A CB -0.852 17.503 19.000 -1.075 0.000 0.818 355 A HN 0.217 nan 8.150 nan 0.000 0.445 356 L N -2.243 118.766 121.223 -0.357 0.000 2.042 356 L HA -0.222 4.224 4.340 0.178 0.000 0.210 356 L C 2.589 179.559 176.870 0.167 0.000 1.076 356 L CA 1.964 56.839 54.840 0.057 0.000 0.749 356 L CB -0.663 41.516 42.059 0.200 0.000 0.893 356 L HN 0.613 nan 8.230 nan 0.000 0.432 357 Y N 0.646 120.966 120.300 0.033 0.000 2.145 357 Y HA -0.306 4.348 4.550 0.173 0.000 0.286 357 Y C 2.707 178.701 175.900 0.156 0.000 1.145 357 Y CA 1.747 59.918 58.100 0.117 0.000 1.148 357 Y CB -0.121 38.421 38.460 0.137 0.000 0.981 357 Y HN 0.185 nan 8.280 nan 0.000 0.507 358 Q N -1.018 118.923 119.800 0.235 0.000 2.046 358 Q HA -0.227 4.220 4.340 0.178 0.000 0.200 358 Q C 2.075 178.195 176.000 0.199 0.000 0.975 358 Q CA 1.667 57.584 55.803 0.189 0.000 0.836 358 Q CB -0.514 28.322 28.738 0.162 0.000 0.896 358 Q HN 0.557 nan 8.270 nan 0.000 0.428 359 W N 1.205 122.612 121.300 0.179 0.000 2.338 359 W HA -0.193 4.559 4.660 0.153 0.000 0.304 359 W C 1.781 178.442 176.519 0.237 0.000 1.212 359 W CA 1.286 58.766 57.345 0.225 0.000 1.264 359 W CB -1.077 28.527 29.460 0.240 0.000 1.142 359 W HN 0.350 nan 8.180 nan 0.000 0.512 360 D N -0.219 120.419 120.400 0.397 0.000 2.117 360 D HA -0.177 4.570 4.640 0.178 0.000 0.198 360 D C 2.121 178.448 176.300 0.044 0.000 0.982 360 D CA 1.788 55.924 54.000 0.227 0.000 0.828 360 D CB -0.093 40.798 40.800 0.151 0.000 0.967 360 D HN -0.038 nan 8.370 nan 0.000 0.464 361 K N -0.196 120.160 120.400 -0.074 0.000 2.057 361 K HA -0.173 4.254 4.320 0.178 0.000 0.207 361 K C 2.251 178.850 176.600 -0.002 0.000 1.049 361 K CA 1.160 57.381 56.287 -0.110 0.000 0.931 361 K CB 0.025 32.400 32.500 -0.209 0.000 0.714 361 K HN 0.250 nan 8.250 nan 0.000 0.440 362 Q N -1.017 118.826 119.800 0.070 0.000 2.167 362 Q HA -0.065 4.382 4.340 0.178 0.000 0.202 362 Q C 0.943 176.975 176.000 0.054 0.000 0.970 362 Q CA 1.158 57.013 55.803 0.087 0.000 0.855 362 Q CB 0.167 29.005 28.738 0.167 0.000 0.911 362 Q HN 0.666 nan 8.270 nan 0.000 0.438 363 G N 1.102 109.933 108.800 0.051 0.000 2.137 363 G HA2 -0.262 3.805 3.960 0.178 0.000 0.237 363 G HA3 -0.262 3.805 3.960 0.178 0.000 0.237 363 G C -0.017 174.828 174.900 -0.091 0.000 1.002 363 G CA 0.387 45.457 45.100 -0.049 0.000 0.702 363 G HN 0.507 nan 8.290 nan 0.000 0.515 364 S N -1.634 114.103 115.700 0.062 0.000 2.587 364 S HA 0.789 5.365 4.470 0.178 0.000 0.269 364 S C -1.065 173.679 174.600 0.239 0.000 1.154 364 S CA -0.306 57.950 58.200 0.092 0.000 0.824 364 S CB 2.696 65.914 63.200 0.030 0.000 1.118 364 S HN 1.714 nan 8.310 nan 0.000 0.462 365 L N 0.375 121.668 121.223 0.116 0.000 2.422 365 L HA 0.767 5.214 4.340 0.178 0.000 0.264 365 L C -1.240 175.547 176.870 -0.137 0.000 0.984 365 L CA -0.321 54.385 54.840 -0.224 0.000 0.819 365 L CB 1.983 43.677 42.059 -0.607 0.000 1.330 365 L HN 1.019 nan 8.230 nan 0.000 0.410 366 E N 2.988 123.116 120.200 -0.120 0.000 2.222 366 E HA 0.528 4.985 4.350 0.178 0.000 0.267 366 E C -1.760 174.749 176.600 -0.152 0.000 0.884 366 E CA -0.793 55.547 56.400 -0.100 0.000 0.764 366 E CB 2.446 32.143 29.700 -0.005 0.000 1.169 366 E HN 0.510 nan 8.360 nan 0.000 0.413 367 V N 3.958 123.755 119.914 -0.195 0.000 2.370 367 V HA 0.334 4.561 4.120 0.178 0.000 0.283 367 V C 0.414 176.527 176.094 0.032 0.000 1.023 367 V CA -0.462 61.732 62.300 -0.176 0.000 0.857 367 V CB 1.072 32.764 31.823 -0.219 0.000 0.985 367 V HN 0.840 nan 8.190 nan 0.000 0.443 368 T N -0.316 114.328 114.554 0.149 0.000 2.927 368 T HA 0.352 4.808 4.350 0.178 0.000 0.286 368 T C 0.644 175.444 174.700 0.166 0.000 1.040 368 T CA -0.688 61.491 62.100 0.131 0.000 1.010 368 T CB 1.800 70.744 68.868 0.127 0.000 1.177 368 T HN 0.475 nan 8.240 nan 0.000 0.546 369 D N 0.288 120.770 120.400 0.135 0.000 2.117 369 D HA -0.104 4.643 4.640 0.178 0.000 0.197 369 D C 2.290 178.703 176.300 0.188 0.000 0.987 369 D CA 0.967 55.054 54.000 0.144 0.000 0.829 369 D CB -0.236 40.633 40.800 0.115 0.000 0.961 369 D HN 0.332 nan 8.370 nan 0.000 0.460 370 V N 1.569 121.605 119.914 0.205 0.000 2.287 370 V HA -0.221 4.005 4.120 0.178 0.000 0.248 370 V C 2.468 178.737 176.094 0.291 0.000 1.053 370 V CA 2.177 64.635 62.300 0.264 0.000 1.027 370 V CB -0.529 31.447 31.823 0.254 0.000 0.646 370 V HN 0.265 nan 8.190 nan 0.000 0.447 371 S N -0.820 115.064 115.700 0.306 0.000 2.575 371 S HA 0.068 4.645 4.470 0.178 0.000 0.215 371 S C 1.660 176.575 174.600 0.525 0.000 0.966 371 S CA 0.247 58.685 58.200 0.396 0.000 0.911 371 S CB 0.033 63.511 63.200 0.463 0.000 0.780 371 S HN 0.343 nan 8.310 nan 0.000 0.514 372 L N 2.788 124.251 121.223 0.400 0.000 2.013 372 L HA -0.121 4.325 4.340 0.178 0.000 0.212 372 L C 1.565 178.625 176.870 0.317 0.000 1.073 372 L CA 2.140 57.194 54.840 0.357 0.000 0.753 372 L CB -0.931 41.260 42.059 0.220 0.000 0.890 372 L HN 0.126 nan 8.230 nan 0.000 0.432 373 D N -1.177 119.378 120.400 0.258 0.000 2.144 373 D HA -0.234 4.513 4.640 0.178 0.000 0.199 373 D C 1.983 178.391 176.300 0.181 0.000 0.984 373 D CA 1.511 55.625 54.000 0.189 0.000 0.834 373 D CB -0.323 40.578 40.800 0.169 0.000 0.955 373 D HN 0.469 nan 8.370 nan 0.000 0.465 374 F N 0.277 120.280 119.950 0.090 0.000 2.069 374 F HA -0.232 4.473 4.527 0.297 0.000 0.298 374 F C 1.941 177.690 175.800 -0.085 0.000 1.113 374 F CA 1.428 59.413 58.000 -0.025 0.000 1.214 374 F CB -0.333 38.596 39.000 -0.118 0.000 0.978 374 F HN -0.147 nan 8.300 nan 0.000 0.474 375 F N 0.964 120.958 119.950 0.073 0.000 2.146 375 F HA -0.081 4.584 4.527 0.231 0.000 0.298 375 F C 2.513 178.257 175.800 -0.094 0.000 1.096 375 F CA 1.825 59.794 58.000 -0.051 0.000 1.275 375 F CB -0.961 38.127 39.000 0.148 0.000 1.008 375 F HN -0.080 nan 8.300 nan 0.000 0.480 376 K N 0.720 121.207 120.400 0.145 0.000 2.103 376 K HA -0.178 4.249 4.320 0.178 0.000 0.207 376 K C 2.121 178.686 176.600 -0.060 0.000 1.048 376 K CA 1.382 57.688 56.287 0.032 0.000 0.930 376 K CB -0.327 32.198 32.500 0.041 0.000 0.716 376 K HN 0.174 nan 8.250 nan 0.000 0.444 377 A N 0.589 123.340 122.820 -0.115 0.000 2.015 377 A HA -0.039 4.387 4.320 0.178 0.000 0.219 377 A C 1.946 179.382 177.584 -0.246 0.000 1.163 377 A CA 1.229 53.162 52.037 -0.174 0.000 0.646 377 A CB -0.323 18.558 19.000 -0.198 0.000 0.806 377 A HN 0.351 nan 8.150 nan 0.000 0.448 378 L N -3.405 117.639 121.223 -0.298 0.000 2.408 378 L HA 0.205 4.652 4.340 0.178 0.000 0.215 378 L C 0.446 177.293 176.870 -0.038 0.000 1.081 378 L CA 0.282 54.951 54.840 -0.286 0.000 0.840 378 L CB 0.273 42.056 42.059 -0.461 0.000 1.002 378 L HN 0.444 nan 8.230 nan 0.000 0.468 379 Y N 0.159 120.377 120.300 -0.137 0.000 2.400 379 Y HA 0.156 4.809 4.550 0.172 0.000 0.335 379 Y C 1.177 177.037 175.900 -0.065 0.000 1.066 379 Y CA -1.283 56.765 58.100 -0.087 0.000 1.285 379 Y CB 0.980 39.397 38.460 -0.072 0.000 1.103 379 Y HN 0.078 nan 8.280 nan 0.000 0.490 380 S N 1.108 116.596 115.700 -0.353 0.000 2.420 380 S HA -0.176 4.401 4.470 0.178 0.000 0.237 380 S C 0.790 175.142 174.600 -0.414 0.000 1.023 380 S CA 1.928 59.943 58.200 -0.309 0.000 0.991 380 S CB -0.009 63.059 63.200 -0.219 0.000 0.792 380 S HN 0.685 nan 8.310 nan 0.000 0.488 381 D N 1.980 121.891 120.400 -0.816 0.000 2.328 381 D HA 0.463 5.209 4.640 0.178 0.000 0.221 381 D C 0.637 176.685 176.300 -0.421 0.000 1.072 381 D CA 0.402 54.033 54.000 -0.614 0.000 0.850 381 D CB 0.066 40.499 40.800 -0.612 0.000 0.922 381 D HN 0.616 nan 8.370 nan 0.000 0.516 382 A N 0.731 123.349 122.820 -0.337 0.000 2.565 382 A HA 0.451 4.878 4.320 0.178 0.000 0.237 382 A C 0.385 177.980 177.584 0.018 0.000 1.053 382 A CA 0.430 52.473 52.037 0.011 0.000 0.755 382 A CB 0.157 19.248 19.000 0.152 0.000 0.980 382 A HN 0.194 nan 8.150 nan 0.000 0.506 383 A N 2.083 124.946 122.820 0.073 0.000 2.549 383 A HA 0.740 5.166 4.320 0.178 0.000 0.297 383 A C 0.175 177.851 177.584 0.153 0.000 1.061 383 A CA -0.004 52.094 52.037 0.103 0.000 0.690 383 A CB 0.468 19.527 19.000 0.097 0.000 1.287 383 A HN 1.878 nan 8.150 nan 0.000 0.402 384 T N -0.129 114.483 114.554 0.098 0.000 2.934 384 T HA 0.533 4.990 4.350 0.178 0.000 0.306 384 T C 0.627 175.328 174.700 0.002 0.000 1.042 384 T CA 0.628 62.763 62.100 0.057 0.000 1.145 384 T CB 0.622 69.517 68.868 0.045 0.000 0.982 384 T HN 2.494 nan 8.240 nan 0.000 0.544 385 G N 1.417 110.147 108.800 -0.116 0.000 2.359 385 G HA2 0.415 4.481 3.960 0.178 0.000 0.293 385 G HA3 0.415 4.481 3.960 0.178 0.000 0.293 385 G C -1.005 173.521 174.900 -0.623 0.000 1.300 385 G CA -0.795 44.089 45.100 -0.361 0.000 0.888 385 G HN 0.851 nan 8.290 nan 0.000 0.541 386 T N 0.757 114.860 114.554 -0.751 0.000 2.792 386 T HA 0.644 5.101 4.350 0.178 0.000 0.280 386 T C -1.460 172.805 174.700 -0.725 0.000 0.990 386 T CA -0.084 61.672 62.100 -0.574 0.000 0.960 386 T CB 0.978 69.688 68.868 -0.264 0.000 0.939 386 T HN 0.438 nan 8.240 nan 0.000 0.439 387 Y N 1.024 121.283 120.300 -0.069 0.000 2.326 387 Y HA 0.533 5.187 4.550 0.172 0.000 0.331 387 Y C 0.752 176.638 175.900 -0.024 0.000 0.962 387 Y CA -0.953 57.122 58.100 -0.041 0.000 1.167 387 Y CB 1.558 39.990 38.460 -0.047 0.000 1.148 387 Y HN 0.558 nan 8.280 nan 0.000 0.463 388 S N 1.043 116.763 115.700 0.033 0.000 2.579 388 S HA 0.032 4.608 4.470 0.178 0.000 0.275 388 S C 1.410 175.787 174.600 -0.372 0.000 1.345 388 S CA 0.205 58.335 58.200 -0.117 0.000 1.031 388 S CB 0.512 63.655 63.200 -0.094 0.000 0.892 388 S HN 0.867 nan 8.310 nan 0.000 0.529 389 S N 2.721 118.013 115.700 -0.680 0.000 2.419 389 S HA -0.129 4.447 4.470 0.178 0.000 0.233 389 S C 1.915 176.155 174.600 -0.599 0.000 1.016 389 S CA 1.314 58.717 58.200 -1.328 0.000 0.974 389 S CB -0.865 61.818 63.200 -0.862 0.000 0.786 389 S HN 0.890 nan 8.310 nan 0.000 0.492 390 S N 1.947 117.468 115.700 -0.299 0.000 2.481 390 S HA 0.030 4.607 4.470 0.178 0.000 0.231 390 S C 1.120 175.673 174.600 -0.078 0.000 0.996 390 S CA 0.287 58.404 58.200 -0.138 0.000 0.942 390 S CB -0.894 62.251 63.200 -0.092 0.000 0.768 390 S HN 0.785 nan 8.310 nan 0.000 0.520 391 S N 0.859 116.514 115.700 -0.075 0.000 2.614 391 S HA 0.416 4.992 4.470 0.178 0.000 0.265 391 S C 1.093 175.715 174.600 0.037 0.000 1.303 391 S CA -0.082 58.123 58.200 0.008 0.000 1.000 391 S CB 1.331 64.570 63.200 0.063 0.000 0.935 391 S HN 0.258 nan 8.310 nan 0.000 0.551 392 S N 1.358 117.072 115.700 0.024 0.000 2.368 392 S HA -0.106 4.471 4.470 0.178 0.000 0.224 392 S C 1.780 176.348 174.600 -0.053 0.000 1.029 392 S CA 1.803 60.003 58.200 0.001 0.000 0.988 392 S CB -1.357 61.842 63.200 -0.000 0.000 0.838 392 S HN 0.869 nan 8.310 nan 0.000 0.462 393 T N 0.626 115.120 114.554 -0.101 0.000 2.746 393 T HA -0.104 4.353 4.350 0.178 0.000 0.267 393 T C 1.459 175.947 174.700 -0.353 0.000 1.039 393 T CA 1.591 63.500 62.100 -0.317 0.000 1.142 393 T CB -0.678 67.838 68.868 -0.587 0.000 0.866 393 T HN 0.611 nan 8.240 nan 0.000 0.444 394 Y N 2.201 122.337 120.300 -0.274 0.000 2.128 394 Y HA -0.223 4.436 4.550 0.183 0.000 0.284 394 Y C 2.697 178.485 175.900 -0.187 0.000 1.154 394 Y CA 1.565 59.538 58.100 -0.210 0.000 1.149 394 Y CB -0.601 37.807 38.460 -0.087 0.000 0.976 394 Y HN 0.103 nan 8.280 nan 0.000 0.505 395 S N -0.441 115.312 115.700 0.089 0.000 2.359 395 S HA -0.230 4.347 4.470 0.178 0.000 0.224 395 S C 2.154 176.673 174.600 -0.134 0.000 1.035 395 S CA 1.576 59.791 58.200 0.025 0.000 1.018 395 S CB -0.548 62.683 63.200 0.051 0.000 0.876 395 S HN 0.557 nan 8.310 nan 0.000 0.448 396 S N 1.219 116.766 115.700 -0.256 0.000 2.382 396 S HA 0.035 4.612 4.470 0.178 0.000 0.228 396 S C 1.780 176.109 174.600 -0.452 0.000 1.027 396 S CA 0.937 58.914 58.200 -0.372 0.000 0.991 396 S CB -0.332 62.522 63.200 -0.577 0.000 0.823 396 S HN 0.406 nan 8.310 nan 0.000 0.469 397 I N 1.607 121.845 120.570 -0.553 0.000 2.193 397 I HA -0.136 4.141 4.170 0.178 0.000 0.240 397 I C 2.459 178.467 176.117 -0.182 0.000 1.084 397 I CA 1.040 62.105 61.300 -0.392 0.000 1.365 397 I CB -0.584 37.171 38.000 -0.408 0.000 1.064 397 I HN 0.237 nan 8.210 nan 0.000 0.410 398 V N -1.456 118.304 119.914 -0.257 0.000 2.490 398 V HA -0.241 3.986 4.120 0.178 0.000 0.250 398 V C 1.875 177.989 176.094 0.033 0.000 1.061 398 V CA 1.972 64.226 62.300 -0.077 0.000 1.064 398 V CB -0.817 30.879 31.823 -0.211 0.000 0.670 398 V HN 0.283 nan 8.190 nan 0.000 0.461 399 D N 1.399 121.788 120.400 -0.019 0.000 2.097 399 D HA -0.027 4.720 4.640 0.178 0.000 0.197 399 D C 2.330 178.661 176.300 0.051 0.000 0.984 399 D CA 2.031 56.047 54.000 0.027 0.000 0.826 399 D CB -0.463 40.336 40.800 -0.001 0.000 0.973 399 D HN 0.571 nan 8.370 nan 0.000 0.460 400 A N 0.372 123.201 122.820 0.015 0.000 1.902 400 A HA -0.131 4.296 4.320 0.178 0.000 0.217 400 A C 2.490 180.134 177.584 0.100 0.000 1.181 400 A CA 1.279 53.337 52.037 0.035 0.000 0.623 400 A CB -0.774 18.221 19.000 -0.008 0.000 0.818 400 A HN 0.143 nan 8.150 nan 0.000 0.443 401 V N 0.350 120.347 119.914 0.137 0.000 2.343 401 V HA -0.259 3.968 4.120 0.178 0.000 0.247 401 V C 2.586 178.839 176.094 0.266 0.000 1.051 401 V CA 2.476 64.930 62.300 0.256 0.000 1.036 401 V CB -0.659 31.405 31.823 0.401 0.000 0.654 401 V HN 0.633 nan 8.190 nan 0.000 0.451 402 K N 0.551 121.087 120.400 0.226 0.000 2.057 402 K HA -0.161 4.266 4.320 0.178 0.000 0.207 402 K C 2.108 178.843 176.600 0.225 0.000 1.049 402 K CA 2.269 58.700 56.287 0.241 0.000 0.931 402 K CB -0.908 31.724 32.500 0.221 0.000 0.714 402 K HN 0.488 nan 8.250 nan 0.000 0.440 403 T N 0.621 115.287 114.554 0.187 0.000 2.746 403 T HA -0.104 4.353 4.350 0.178 0.000 0.267 403 T C 1.423 176.237 174.700 0.191 0.000 1.039 403 T CA 1.318 63.514 62.100 0.161 0.000 1.142 403 T CB -0.463 68.476 68.868 0.119 0.000 0.866 403 T HN 0.213 nan 8.240 nan 0.000 0.444 404 F N 2.433 122.407 119.950 0.039 0.000 2.069 404 F HA -0.023 4.592 4.527 0.147 0.000 0.298 404 F C 2.514 178.380 175.800 0.110 0.000 1.113 404 F CA 0.878 58.892 58.000 0.024 0.000 1.214 404 F CB -1.077 37.960 39.000 0.061 0.000 0.978 404 F HN 0.149 nan 8.300 nan 0.000 0.474 405 A N 0.035 122.934 122.820 0.133 0.000 1.883 405 A HA -0.242 4.184 4.320 0.178 0.000 0.217 405 A C 2.004 179.620 177.584 0.053 0.000 1.186 405 A CA 2.145 54.156 52.037 -0.044 0.000 0.624 405 A CB -1.188 17.512 19.000 -0.500 0.000 0.822 405 A HN 0.442 nan 8.150 nan 0.000 0.444 406 D N -0.408 120.088 120.400 0.160 0.000 2.182 406 D HA -0.079 4.668 4.640 0.178 0.000 0.201 406 D C 2.041 178.393 176.300 0.087 0.000 0.986 406 D CA 1.349 55.477 54.000 0.214 0.000 0.847 406 D CB -0.691 40.229 40.800 0.201 0.000 0.942 406 D HN 0.451 nan 8.370 nan 0.000 0.467 407 G N -0.228 108.557 108.800 -0.025 0.000 2.440 407 G HA2 -0.267 3.800 3.960 0.178 0.000 0.218 407 G HA3 -0.267 3.800 3.960 0.178 0.000 0.218 407 G C 1.394 176.150 174.900 -0.240 0.000 1.154 407 G CA 0.361 45.357 45.100 -0.174 0.000 0.767 407 G HN 0.217 nan 8.290 nan 0.000 0.552 408 F N 0.508 120.388 119.950 -0.116 0.000 2.146 408 F HA -0.036 4.600 4.527 0.182 0.000 0.298 408 F C 2.863 178.649 175.800 -0.023 0.000 1.096 408 F CA 0.799 58.744 58.000 -0.092 0.000 1.275 408 F CB -0.676 38.239 39.000 -0.142 0.000 1.008 408 F HN -0.027 nan 8.300 nan 0.000 0.480 409 V N -0.953 119.086 119.914 0.207 0.000 2.343 409 V HA -0.268 3.959 4.120 0.178 0.000 0.247 409 V C 2.297 178.390 176.094 -0.002 0.000 1.051 409 V CA 2.060 64.473 62.300 0.188 0.000 1.036 409 V CB -0.933 31.072 31.823 0.304 0.000 0.654 409 V HN 0.288 nan 8.190 nan 0.000 0.451 410 S N -0.014 115.655 115.700 -0.052 0.000 2.383 410 S HA -0.142 4.434 4.470 0.178 0.000 0.229 410 S C 1.871 176.316 174.600 -0.258 0.000 1.030 410 S CA 1.680 59.768 58.200 -0.187 0.000 1.002 410 S CB -0.357 62.769 63.200 -0.123 0.000 0.829 410 S HN 0.522 nan 8.310 nan 0.000 0.467 411 I N 1.007 121.485 120.570 -0.154 0.000 2.179 411 I HA -0.151 4.125 4.170 0.178 0.000 0.242 411 I C 2.198 178.196 176.117 -0.199 0.000 1.088 411 I CA 0.861 62.083 61.300 -0.129 0.000 1.357 411 I CB -0.525 37.482 38.000 0.012 0.000 1.051 411 I HN 0.138 nan 8.210 nan 0.000 0.409 412 V N 1.500 121.334 119.914 -0.134 0.000 2.282 412 V HA -0.336 3.891 4.120 0.178 0.000 0.249 412 V C 2.558 178.505 176.094 -0.245 0.000 1.057 412 V CA 2.476 64.740 62.300 -0.060 0.000 1.032 412 V CB -0.902 31.025 31.823 0.174 0.000 0.645 412 V HN 0.628 nan 8.190 nan 0.000 0.447 413 E N 0.166 119.945 120.200 -0.703 0.000 2.077 413 E HA -0.243 4.214 4.350 0.178 0.000 0.193 413 E C 2.006 178.115 176.600 -0.818 0.000 0.989 413 E CA 1.998 57.513 56.400 -1.476 0.000 0.800 413 E CB -0.554 27.852 29.700 -2.158 0.000 0.746 413 E HN 0.539 nan 8.360 nan 0.000 0.452 414 T N 0.115 114.277 114.554 -0.653 0.000 2.803 414 T HA -0.137 4.320 4.350 0.178 0.000 0.269 414 T C 1.037 175.329 174.700 -0.679 0.000 1.052 414 T CA 1.517 63.218 62.100 -0.665 0.000 1.136 414 T CB -0.233 68.164 68.868 -0.785 0.000 0.864 414 T HN 0.388 nan 8.240 nan 0.000 0.467 415 H N -0.467 118.470 119.070 -0.220 0.000 2.827 415 H HA 0.572 5.233 4.556 0.176 0.000 0.269 415 H C 1.038 176.408 175.328 0.071 0.000 1.031 415 H CA -0.242 55.729 56.048 -0.129 0.000 1.202 415 H CB -0.013 29.503 29.762 -0.409 0.000 1.511 415 H HN 0.304 nan 8.280 nan 0.000 0.517 416 A N 1.563 124.448 122.820 0.108 0.000 2.425 416 A HA 0.505 4.932 4.320 0.178 0.000 0.242 416 A C 0.766 178.390 177.584 0.066 0.000 1.077 416 A CA 0.191 52.257 52.037 0.048 0.000 0.781 416 A CB 0.142 19.254 19.000 0.187 0.000 1.020 416 A HN 0.366 nan 8.150 nan 0.000 0.494 417 A N 1.033 123.880 122.820 0.044 0.000 2.406 417 A HA 0.414 4.841 4.320 0.178 0.000 0.243 417 A C 1.659 179.294 177.584 0.085 0.000 1.082 417 A CA 0.376 52.443 52.037 0.049 0.000 0.786 417 A CB -0.252 18.763 19.000 0.026 0.000 1.029 417 A HN 1.956 nan 8.150 nan 0.000 0.495 418 S N 0.755 116.493 115.700 0.063 0.000 2.400 418 S HA -0.217 4.360 4.470 0.178 0.000 0.232 418 S C 1.143 175.793 174.600 0.083 0.000 1.025 418 S CA 1.469 59.714 58.200 0.075 0.000 0.993 418 S CB -0.600 62.627 63.200 0.045 0.000 0.808 418 S HN 0.963 nan 8.310 nan 0.000 0.478 419 N N 1.349 120.090 118.700 0.068 0.000 2.383 419 N HA 0.227 5.073 4.740 0.178 0.000 0.192 419 N C 1.206 176.759 175.510 0.072 0.000 1.141 419 N CA 0.719 53.806 53.050 0.062 0.000 0.851 419 N CB -0.458 38.062 38.487 0.055 0.000 0.976 419 N HN 0.672 nan 8.380 nan 0.000 0.465 420 G N -1.154 107.709 108.800 0.105 0.000 2.175 420 G HA2 -0.273 3.793 3.960 0.178 0.000 0.244 420 G HA3 -0.273 3.793 3.960 0.178 0.000 0.244 420 G C -0.104 174.893 174.900 0.161 0.000 0.982 420 G CA 0.171 45.343 45.100 0.120 0.000 0.641 420 G HN 0.436 nan 8.290 nan 0.000 0.527 421 S N 0.452 116.234 115.700 0.136 0.000 2.549 421 S HA 0.573 5.150 4.470 0.178 0.000 0.286 421 S C 0.470 175.027 174.600 -0.072 0.000 1.314 421 S CA 0.549 58.838 58.200 0.148 0.000 1.062 421 S CB 0.459 63.697 63.200 0.064 0.000 0.865 421 S HN 0.375 nan 8.310 nan 0.000 0.498 422 M N 3.125 122.567 119.600 -0.264 0.000 2.197 422 M HA 0.253 4.840 4.480 0.178 0.000 0.301 422 M C 0.257 176.194 176.300 -0.605 0.000 0.987 422 M CA -0.515 54.317 55.300 -0.780 0.000 0.921 422 M CB 2.027 33.947 32.600 -1.134 0.000 1.569 422 M HN 0.764 nan 8.290 nan 0.000 0.431 423 S N 0.987 116.442 115.700 -0.409 0.000 2.596 423 S HA 0.225 4.801 4.470 0.178 0.000 0.262 423 S C 0.925 175.421 174.600 -0.174 0.000 1.218 423 S CA -0.390 57.672 58.200 -0.231 0.000 0.998 423 S CB 0.792 63.903 63.200 -0.149 0.000 1.060 423 S HN 0.833 nan 8.310 nan 0.000 0.552 424 E N -0.041 119.971 120.200 -0.314 0.000 2.072 424 E HA -0.056 4.400 4.350 0.178 0.000 0.190 424 E C 0.293 176.533 176.600 -0.601 0.000 0.982 424 E CA 0.733 56.821 56.400 -0.521 0.000 0.803 424 E CB 0.075 29.289 29.700 -0.810 0.000 0.755 424 E HN 0.687 nan 8.360 nan 0.000 0.453 425 Q N -0.848 118.605 119.800 -0.578 0.000 2.433 425 Q HA 0.366 4.812 4.340 0.178 0.000 0.279 425 Q C -1.488 174.291 176.000 -0.369 0.000 1.105 425 Q CA -1.029 54.372 55.803 -0.670 0.000 0.815 425 Q CB 2.029 30.247 28.738 -0.865 0.000 1.403 425 Q HN 0.142 nan 8.270 nan 0.000 0.435 426 Y N -2.338 117.548 120.300 -0.690 0.000 2.512 426 Y HA 0.436 5.091 4.550 0.175 0.000 0.348 426 Y C -0.668 174.903 175.900 -0.549 0.000 0.990 426 Y CA -1.532 56.214 58.100 -0.591 0.000 1.033 426 Y CB 1.027 39.039 38.460 -0.747 0.000 1.259 426 Y HN 0.497 nan 8.280 nan 0.000 0.461 427 D N 3.313 123.499 120.400 -0.357 0.000 2.424 427 D HA -0.008 4.739 4.640 0.178 0.000 0.244 427 D C 0.800 176.825 176.300 -0.459 0.000 1.134 427 D CA 0.044 53.823 54.000 -0.368 0.000 0.881 427 D CB 1.236 41.903 40.800 -0.222 0.000 1.191 427 D HN 0.952 nan 8.370 nan 0.000 0.445 428 K N 1.548 121.653 120.400 -0.492 0.000 2.211 428 K HA -0.115 4.312 4.320 0.178 0.000 0.204 428 K C 1.313 177.766 176.600 -0.245 0.000 1.047 428 K CA 1.059 57.022 56.287 -0.541 0.000 0.935 428 K CB 0.078 32.327 32.500 -0.418 0.000 0.728 428 K HN 0.120 nan 8.250 nan 0.000 0.452 429 S N 1.385 116.983 115.700 -0.170 0.000 2.444 429 S HA -0.049 4.528 4.470 0.178 0.000 0.223 429 S C 0.999 175.549 174.600 -0.084 0.000 1.054 429 S CA 0.846 58.993 58.200 -0.088 0.000 0.947 429 S CB 0.129 63.292 63.200 -0.060 0.000 0.850 429 S HN 0.669 nan 8.310 nan 0.000 0.527 430 D N -0.417 119.920 120.400 -0.104 0.000 2.433 430 D HA 0.304 5.051 4.640 0.178 0.000 0.211 430 D C 1.162 177.410 176.300 -0.086 0.000 1.114 430 D CA 0.615 54.575 54.000 -0.067 0.000 0.837 430 D CB -0.311 40.462 40.800 -0.044 0.000 0.984 430 D HN 0.360 nan 8.370 nan 0.000 0.505 431 G N 0.157 108.832 108.800 -0.208 0.000 2.175 431 G HA2 -0.317 3.749 3.960 0.178 0.000 0.265 431 G HA3 -0.317 3.749 3.960 0.178 0.000 0.265 431 G C 0.052 174.870 174.900 -0.136 0.000 0.979 431 G CA 0.230 45.103 45.100 -0.378 0.000 0.663 431 G HN 0.372 nan 8.290 nan 0.000 0.533 432 E N 1.004 121.158 120.200 -0.075 0.000 2.414 432 E HA 0.139 4.596 4.350 0.178 0.000 0.263 432 E C 0.939 177.510 176.600 -0.049 0.000 1.000 432 E CA 0.089 56.469 56.400 -0.032 0.000 0.914 432 E CB 0.397 30.068 29.700 -0.048 0.000 0.948 432 E HN 0.614 nan 8.360 nan 0.000 0.444 433 Q N 2.162 121.962 119.800 -0.001 0.000 2.337 433 Q HA 0.289 4.736 4.340 0.178 0.000 0.270 433 Q C 0.242 176.163 176.000 -0.132 0.000 1.002 433 Q CA 0.282 56.082 55.803 -0.005 0.000 0.888 433 Q CB 0.526 29.289 28.738 0.041 0.000 1.222 433 Q HN 0.394 nan 8.270 nan 0.000 0.400 434 L N -1.716 119.361 121.223 -0.244 0.000 2.510 434 L HA 0.773 5.220 4.340 0.178 0.000 0.252 434 L C -0.008 176.477 176.870 -0.643 0.000 1.091 434 L CA -1.042 53.562 54.840 -0.394 0.000 0.888 434 L CB 1.586 43.412 42.059 -0.388 0.000 1.507 434 L HN 0.742 nan 8.230 nan 0.000 0.407 435 S N -0.315 114.809 115.700 -0.959 0.000 3.368 435 S HA -0.185 4.392 4.470 0.178 0.000 0.632 435 S C 0.267 174.484 174.600 -0.638 0.000 2.690 435 S CA 0.502 58.028 58.200 -1.123 0.000 3.124 435 S CB -1.453 60.938 63.200 -1.347 0.000 0.317 435 S HN 2.288 nan 8.310 nan 0.000 1.617 436 A N 1.949 124.345 122.820 -0.707 0.000 2.524 436 A HA 0.445 4.872 4.320 0.178 0.000 0.250 436 A C 0.630 177.985 177.584 -0.381 0.000 1.078 436 A CA 0.749 52.422 52.037 -0.607 0.000 0.761 436 A CB -0.374 18.009 19.000 -1.028 0.000 1.012 436 A HN 0.852 nan 8.150 nan 0.000 0.500 437 R N 2.541 122.879 120.500 -0.269 0.000 2.641 437 R HA 0.256 4.703 4.340 0.178 0.000 0.269 437 R C -0.980 175.226 176.300 -0.157 0.000 1.074 437 R CA -0.075 55.895 56.100 -0.217 0.000 1.133 437 R CB 0.271 30.440 30.300 -0.217 0.000 1.029 437 R HN 0.680 nan 8.270 nan 0.000 0.488 438 D N 0.591 120.917 120.400 -0.123 0.000 2.697 438 D HA -0.170 4.576 4.640 0.178 0.000 0.238 438 D C -0.698 175.705 176.300 0.173 0.000 1.152 438 D CA 0.774 54.834 54.000 0.100 0.000 0.666 438 D CB -0.588 40.207 40.800 -0.009 0.000 1.037 438 D HN 0.421 nan 8.370 nan 0.000 0.423 439 L N 0.840 122.027 121.223 -0.060 0.000 2.433 439 L HA 0.073 4.519 4.340 0.178 0.000 0.275 439 L C 1.777 178.722 176.870 0.124 0.000 1.128 439 L CA 0.471 55.331 54.840 0.033 0.000 0.875 439 L CB 0.857 42.880 42.059 -0.060 0.000 1.171 439 L HN 0.033 nan 8.230 nan 0.000 0.463 440 T N 3.996 118.744 114.554 0.323 0.000 2.699 440 T HA -0.250 4.206 4.350 0.178 0.000 0.268 440 T C 1.190 176.119 174.700 0.381 0.000 1.036 440 T CA 1.946 64.289 62.100 0.405 0.000 1.147 440 T CB -0.441 68.612 68.868 0.307 0.000 0.862 440 T HN 0.795 nan 8.240 nan 0.000 0.446 441 W N 2.199 123.576 121.300 0.128 0.000 2.374 441 W HA -0.026 4.738 4.660 0.174 0.000 0.288 441 W C 2.371 178.949 176.519 0.099 0.000 1.218 441 W CA 0.497 57.915 57.345 0.122 0.000 1.245 441 W CB -1.050 28.489 29.460 0.132 0.000 1.126 441 W HN 0.206 nan 8.180 nan 0.000 0.545 442 S N -0.095 115.683 115.700 0.131 0.000 2.370 442 S HA -0.243 4.334 4.470 0.178 0.000 0.226 442 S C 1.618 176.187 174.600 -0.053 0.000 1.033 442 S CA 1.808 59.963 58.200 -0.075 0.000 1.011 442 S CB -0.818 62.183 63.200 -0.331 0.000 0.852 442 S HN 0.262 nan 8.310 nan 0.000 0.457 443 Y N 1.646 122.026 120.300 0.133 0.000 2.181 443 Y HA -0.033 4.624 4.550 0.179 0.000 0.288 443 Y C 2.660 178.636 175.900 0.126 0.000 1.146 443 Y CA 0.369 58.526 58.100 0.095 0.000 1.164 443 Y CB -1.088 37.417 38.460 0.076 0.000 0.982 443 Y HN 0.257 nan 8.280 nan 0.000 0.515 444 A N 0.114 123.131 122.820 0.328 0.000 1.902 444 A HA -0.112 4.315 4.320 0.178 0.000 0.217 444 A C 2.479 180.236 177.584 0.290 0.000 1.181 444 A CA 1.818 54.018 52.037 0.271 0.000 0.623 444 A CB -1.241 17.912 19.000 0.255 0.000 0.818 444 A HN 0.394 nan 8.150 nan 0.000 0.443 445 A N -0.441 122.594 122.820 0.358 0.000 1.940 445 A HA -0.076 4.350 4.320 0.178 0.000 0.219 445 A C 2.204 179.925 177.584 0.229 0.000 1.176 445 A CA 1.604 53.831 52.037 0.316 0.000 0.631 445 A CB -0.605 18.570 19.000 0.291 0.000 0.814 445 A HN 0.640 nan 8.150 nan 0.000 0.446 446 L N -0.620 120.724 121.223 0.202 0.000 2.017 446 L HA -0.119 4.328 4.340 0.178 0.000 0.208 446 L C 2.415 179.367 176.870 0.137 0.000 1.073 446 L CA 1.449 56.394 54.840 0.175 0.000 0.745 446 L CB -0.229 41.921 42.059 0.152 0.000 0.894 446 L HN 0.411 nan 8.230 nan 0.000 0.432 447 L N -0.673 120.626 121.223 0.128 0.000 2.046 447 L HA -0.216 4.230 4.340 0.178 0.000 0.208 447 L C 2.702 179.626 176.870 0.090 0.000 1.077 447 L CA 1.914 56.806 54.840 0.086 0.000 0.747 447 L CB -1.019 41.088 42.059 0.080 0.000 0.896 447 L HN 0.526 nan 8.230 nan 0.000 0.432 448 T N -2.871 111.760 114.554 0.128 0.000 2.777 448 T HA -0.090 4.367 4.350 0.178 0.000 0.266 448 T C 1.958 176.724 174.700 0.110 0.000 1.040 448 T CA 0.856 63.028 62.100 0.120 0.000 1.141 448 T CB -0.409 68.550 68.868 0.151 0.000 0.868 448 T HN 0.286 nan 8.240 nan 0.000 0.444 449 A N 2.430 125.339 122.820 0.147 0.000 1.877 449 A HA -0.152 4.275 4.320 0.178 0.000 0.216 449 A C 2.463 180.116 177.584 0.115 0.000 1.186 449 A CA 1.808 53.964 52.037 0.199 0.000 0.620 449 A CB -1.231 17.923 19.000 0.256 0.000 0.822 449 A HN 0.686 nan 8.150 nan 0.000 0.443 450 N N -0.149 118.596 118.700 0.075 0.000 2.069 450 N HA -0.203 4.643 4.740 0.178 0.000 0.191 450 N C 1.744 177.216 175.510 -0.062 0.000 1.031 450 N CA 1.660 54.704 53.050 -0.010 0.000 0.852 450 N CB -0.362 38.130 38.487 0.009 0.000 1.018 450 N HN 0.664 nan 8.380 nan 0.000 0.423 451 N N 0.116 118.807 118.700 -0.015 0.000 2.043 451 N HA -0.129 4.718 4.740 0.178 0.000 0.193 451 N C 1.673 177.157 175.510 -0.043 0.000 1.037 451 N CA 0.922 53.962 53.050 -0.016 0.000 0.851 451 N CB 0.048 38.546 38.487 0.019 0.000 1.027 451 N HN 0.267 nan 8.380 nan 0.000 0.422 452 R N 1.155 121.632 120.500 -0.040 0.000 2.115 452 R HA -0.075 4.372 4.340 0.178 0.000 0.230 452 R C 2.094 178.305 176.300 -0.149 0.000 1.111 452 R CA 0.616 56.687 56.100 -0.048 0.000 0.976 452 R CB -0.711 29.592 30.300 0.004 0.000 0.870 452 R HN 0.369 nan 8.270 nan 0.000 0.445 453 R N 1.155 121.376 120.500 -0.464 0.000 2.105 453 R HA -0.071 4.376 4.340 0.178 0.000 0.239 453 R C 0.689 176.814 176.300 -0.292 0.000 1.135 453 R CA 1.403 57.003 56.100 -0.833 0.000 0.967 453 R CB -0.015 29.600 30.300 -1.142 0.000 0.861 453 R HN 0.130 nan 8.270 nan 0.000 0.442 454 N N 0.313 118.918 118.700 -0.157 0.000 2.370 454 N HA 0.019 4.865 4.740 0.178 0.000 0.198 454 N C -0.414 175.109 175.510 0.023 0.000 1.156 454 N CA 0.570 53.592 53.050 -0.048 0.000 0.839 454 N CB 0.762 39.229 38.487 -0.034 0.000 0.989 454 N HN 0.060 nan 8.380 nan 0.000 0.468 455 S N -0.968 114.763 115.700 0.052 0.000 3.521 455 S HA -0.132 4.444 4.470 0.178 0.000 0.328 455 S C 0.081 174.741 174.600 0.100 0.000 1.165 455 S CA 0.359 58.663 58.200 0.173 0.000 0.941 455 S CB -1.618 61.748 63.200 0.275 0.000 0.951 455 S HN 0.147 nan 8.310 nan 0.000 0.539 456 V N 2.326 122.254 119.914 0.023 0.000 2.348 456 V HA 0.540 4.766 4.120 0.178 0.000 0.270 456 V C 0.524 176.604 176.094 -0.023 0.000 1.037 456 V CA -0.194 62.113 62.300 0.011 0.000 0.872 456 V CB 1.143 32.976 31.823 0.017 0.000 1.002 456 V HN 0.414 nan 8.190 nan 0.000 0.464 457 V N 4.252 124.132 119.914 -0.055 0.000 2.919 457 V HA 0.807 5.033 4.120 0.178 0.000 0.316 457 V C -2.249 173.845 176.094 0.001 0.000 1.077 457 V CA -2.059 60.205 62.300 -0.060 0.000 0.977 457 V CB 1.735 33.375 31.823 -0.305 0.000 1.039 457 V HN 0.663 nan 8.190 nan 0.000 0.441 458 P HA 0.473 nan 4.420 nan 0.000 0.279 458 P C -0.208 177.105 177.300 0.022 0.000 1.276 458 P CA -0.311 62.821 63.100 0.053 0.000 0.801 458 P CB 0.716 32.475 31.700 0.099 0.000 1.127 459 A N 0.659 123.512 122.820 0.056 0.000 2.520 459 A HA 0.241 4.668 4.320 0.178 0.000 0.235 459 A C 0.865 178.470 177.584 0.036 0.000 1.065 459 A CA 0.105 52.172 52.037 0.050 0.000 0.764 459 A CB -0.691 18.358 19.000 0.082 0.000 1.002 459 A HN 0.567 nan 8.150 nan 0.000 0.502 460 S N 1.663 117.356 115.700 -0.011 0.000 2.573 460 S HA 0.201 4.778 4.470 0.178 0.000 0.277 460 S C 0.779 175.404 174.600 0.041 0.000 1.346 460 S CA 0.410 58.564 58.200 -0.076 0.000 1.034 460 S CB 0.072 63.197 63.200 -0.124 0.000 0.879 460 S HN 1.016 nan 8.310 nan 0.000 0.528 461 W N 2.386 123.648 121.300 -0.064 0.000 2.870 461 W HA 0.426 5.188 4.660 0.169 0.000 0.358 461 W C 0.565 177.055 176.519 -0.048 0.000 1.043 461 W CA -0.181 57.135 57.345 -0.048 0.000 1.692 461 W CB -0.876 28.554 29.460 -0.051 0.000 1.100 461 W HN 1.103 nan 8.180 nan 0.000 0.557 462 G N 1.719 110.336 108.800 -0.305 0.000 2.148 462 G HA2 -0.345 3.722 3.960 0.178 0.000 0.203 462 G HA3 -0.345 3.722 3.960 0.178 0.000 0.203 462 G C 0.889 175.506 174.900 -0.472 0.000 0.993 462 G CA 0.295 45.240 45.100 -0.258 0.000 0.661 462 G HN 0.270 nan 8.290 nan 0.000 0.518 463 E N 1.114 120.668 120.200 -1.077 0.000 2.171 463 E HA -0.211 4.245 4.350 0.178 0.000 0.197 463 E C 2.551 178.911 176.600 -0.401 0.000 0.997 463 E CA 2.327 58.118 56.400 -1.016 0.000 0.810 463 E CB -0.433 28.514 29.700 -1.256 0.000 0.738 463 E HN 0.791 nan 8.360 nan 0.000 0.467 464 T N -1.661 112.699 114.554 -0.323 0.000 2.929 464 T HA -0.075 4.381 4.350 0.178 0.000 0.271 464 T C 1.633 176.266 174.700 -0.111 0.000 1.085 464 T CA 1.294 63.289 62.100 -0.175 0.000 1.125 464 T CB -0.280 68.502 68.868 -0.144 0.000 0.874 464 T HN 0.122 nan 8.240 nan 0.000 0.494 465 S N -0.151 115.484 115.700 -0.110 0.000 2.651 465 S HA 0.745 5.322 4.470 0.178 0.000 0.246 465 S C 0.574 175.164 174.600 -0.017 0.000 1.039 465 S CA -0.308 57.860 58.200 -0.053 0.000 1.013 465 S CB 0.434 63.606 63.200 -0.046 0.000 0.861 465 S HN 0.694 nan 8.310 nan 0.000 0.485 466 A N 1.038 123.855 122.820 -0.006 0.000 2.897 466 A HA 0.602 5.028 4.320 0.178 0.000 0.230 466 A C 0.767 178.461 177.584 0.184 0.000 0.896 466 A CA 0.149 52.256 52.037 0.115 0.000 1.114 466 A CB -0.282 18.816 19.000 0.163 0.000 1.230 466 A HN 0.733 nan 8.150 nan 0.000 0.481 467 S N -1.340 114.405 115.700 0.076 0.000 2.666 467 S HA 0.257 4.834 4.470 0.178 0.000 0.239 467 S C 0.555 175.169 174.600 0.023 0.000 1.031 467 S CA 0.468 58.701 58.200 0.054 0.000 1.015 467 S CB -0.043 63.162 63.200 0.009 0.000 0.981 467 S HN 0.639 nan 8.310 nan 0.000 0.547 468 S N 2.107 117.826 115.700 0.031 0.000 2.448 468 S HA 0.474 5.050 4.470 0.178 0.000 0.279 468 S C -0.156 174.458 174.600 0.024 0.000 1.195 468 S CA -0.378 57.834 58.200 0.020 0.000 1.051 468 S CB 0.273 63.485 63.200 0.021 0.000 0.948 468 S HN 0.320 nan 8.310 nan 0.000 0.493 469 V N 8.560 128.484 119.914 0.015 0.000 2.432 469 V HA 0.309 4.536 4.120 0.178 0.000 0.271 469 V C -1.787 174.326 176.094 0.033 0.000 1.046 469 V CA -1.632 60.682 62.300 0.023 0.000 0.945 469 V CB 0.483 32.321 31.823 0.024 0.000 0.992 469 V HN 0.765 nan 8.190 nan 0.000 0.471 470 P HA 0.108 nan 4.420 nan 0.000 0.267 470 P C 1.169 178.497 177.300 0.047 0.000 1.200 470 P CA 0.172 63.299 63.100 0.044 0.000 0.772 470 P CB 0.644 32.376 31.700 0.053 0.000 0.855 471 G N 1.238 110.063 108.800 0.041 0.000 2.443 471 G HA2 -0.069 3.998 3.960 0.178 0.000 0.219 471 G HA3 -0.069 3.998 3.960 0.178 0.000 0.219 471 G C 0.106 175.034 174.900 0.047 0.000 1.131 471 G CA 0.734 45.858 45.100 0.040 0.000 0.775 471 G HN 0.553 nan 8.290 nan 0.000 0.547 472 T N -0.318 114.267 114.554 0.051 0.000 2.921 472 T HA 0.396 4.853 4.350 0.178 0.000 0.297 472 T C -0.656 174.086 174.700 0.071 0.000 1.013 472 T CA -0.632 61.501 62.100 0.056 0.000 0.990 472 T CB 1.710 70.605 68.868 0.044 0.000 1.023 472 T HN 0.099 nan 8.240 nan 0.000 0.447 473 c N 2.835 121.486 118.600 0.085 0.000 2.463 473 c HA 0.879 5.555 4.570 0.178 0.000 0.380 473 c C 0.908 175.061 174.090 0.105 0.000 1.264 473 c CA -0.783 55.615 56.329 0.114 0.000 2.161 473 c CB -0.252 42.349 42.510 0.152 0.000 2.515 473 c HN 0.997 nan 8.230 nan 0.000 0.565 474 A N 1.849 124.752 122.820 0.137 0.000 2.331 474 A HA 0.738 5.165 4.320 0.178 0.000 0.320 474 A C 0.004 177.676 177.584 0.145 0.000 1.138 474 A CA -0.327 51.780 52.037 0.117 0.000 0.790 474 A CB 0.604 19.673 19.000 0.115 0.000 1.206 474 A HN 1.296 nan 8.150 nan 0.000 0.470 475 A N 2.487 125.326 122.820 0.031 0.000 2.457 475 A HA 0.587 5.014 4.320 0.178 0.000 0.298 475 A C 0.404 177.937 177.584 -0.086 0.000 1.288 475 A CA 0.619 52.609 52.037 -0.079 0.000 0.956 475 A CB -0.438 18.479 19.000 -0.138 0.000 1.135 475 A HN 1.207 nan 8.150 nan 0.000 0.535 476 T N 0.648 115.142 114.554 -0.101 0.000 2.711 476 T HA 0.739 5.195 4.350 0.178 0.000 0.302 476 T C -0.561 174.071 174.700 -0.113 0.000 1.373 476 T CA 0.237 62.315 62.100 -0.037 0.000 1.000 476 T CB 1.387 70.324 68.868 0.116 0.000 1.483 476 T HN 1.668 nan 8.240 nan 0.000 0.499 477 S N 0.130 115.821 115.700 -0.013 0.000 2.625 477 S HA 0.924 5.500 4.470 0.178 0.000 0.271 477 S C -1.313 173.341 174.600 0.091 0.000 1.161 477 S CA -0.273 57.928 58.200 0.002 0.000 0.820 477 S CB 1.374 64.455 63.200 -0.199 0.000 1.137 477 S HN 1.472 nan 8.310 nan 0.000 0.470 478 A N 0.849 123.735 122.820 0.111 0.000 2.498 478 A HA 0.773 5.200 4.320 0.178 0.000 0.298 478 A C -1.201 176.373 177.584 -0.016 0.000 1.075 478 A CA -0.808 51.288 52.037 0.097 0.000 0.714 478 A CB 1.098 20.234 19.000 0.225 0.000 1.299 478 A HN 0.766 nan 8.150 nan 0.000 0.407 479 I N 2.210 122.727 120.570 -0.089 0.000 2.336 479 I HA 0.462 4.739 4.170 0.178 0.000 0.292 479 I C 0.973 176.759 176.117 -0.552 0.000 0.991 479 I CA 0.187 61.324 61.300 -0.272 0.000 1.227 479 I CB 0.769 38.647 38.000 -0.203 0.000 1.366 479 I HN 0.825 nan 8.210 nan 0.000 0.466 480 G N 5.370 113.533 108.800 -1.061 0.000 3.075 480 G HA2 0.606 4.673 3.960 0.178 0.000 0.156 480 G HA3 0.606 4.673 3.960 0.178 0.000 0.156 480 G C -0.661 173.487 174.900 -1.254 0.000 1.403 480 G CA -0.042 43.824 45.100 -2.058 0.000 1.033 480 G HN 0.500 nan 8.290 nan 0.000 0.589 481 T N -0.538 113.322 114.554 -1.157 0.000 2.912 481 T HA 0.531 4.988 4.350 0.178 0.000 0.299 481 T C -1.768 172.520 174.700 -0.686 0.000 1.052 481 T CA -0.189 61.506 62.100 -0.676 0.000 0.996 481 T CB 1.628 70.295 68.868 -0.336 0.000 1.070 481 T HN 0.327 nan 8.240 nan 0.000 0.465 482 Y N 0.798 121.028 120.300 -0.117 0.000 2.341 482 Y HA 0.686 5.342 4.550 0.177 0.000 0.338 482 Y C 0.542 176.410 175.900 -0.054 0.000 0.965 482 Y CA -0.756 57.306 58.100 -0.063 0.000 1.108 482 Y CB 2.129 40.576 38.460 -0.022 0.000 1.180 482 Y HN 0.636 nan 8.280 nan 0.000 0.458 483 S N 1.864 117.617 115.700 0.090 0.000 2.566 483 S HA 0.313 4.890 4.470 0.178 0.000 0.273 483 S C -1.050 173.560 174.600 0.017 0.000 1.157 483 S CA -0.707 57.514 58.200 0.036 0.000 0.938 483 S CB 1.223 64.422 63.200 -0.001 0.000 1.087 483 S HN 0.616 nan 8.310 nan 0.000 0.474 484 S N 3.492 119.198 115.700 0.011 0.000 2.510 484 S HA 0.455 5.032 4.470 0.178 0.000 0.279 484 S C -0.215 174.376 174.600 -0.015 0.000 1.284 484 S CA -0.315 57.880 58.200 -0.007 0.000 1.059 484 S CB -0.142 63.051 63.200 -0.011 0.000 0.901 484 S HN 0.571 nan 8.310 nan 0.000 0.491 485 V N 5.513 125.412 119.914 -0.025 0.000 2.481 485 V HA 0.485 4.712 4.120 0.178 0.000 0.286 485 V C 0.336 176.414 176.094 -0.026 0.000 1.042 485 V CA -0.611 61.676 62.300 -0.022 0.000 0.928 485 V CB 1.762 33.570 31.823 -0.025 0.000 0.986 485 V HN 0.933 nan 8.190 nan 0.000 0.462 486 T N 3.839 118.384 114.554 -0.015 0.000 2.812 486 T HA 0.640 5.096 4.350 0.178 0.000 0.282 486 T C -0.254 174.442 174.700 -0.007 0.000 0.990 486 T CA -0.313 61.778 62.100 -0.016 0.000 0.960 486 T CB 1.747 70.609 68.868 -0.011 0.000 0.948 486 T HN 0.356 nan 8.240 nan 0.000 0.438 487 V N 0.000 119.906 119.914 -0.013 0.000 2.409 487 V HA 0.000 4.227 4.120 0.178 0.000 0.244 487 V CA 0.000 62.298 62.300 -0.003 0.000 1.235 487 V CB 0.000 31.817 31.823 -0.011 0.000 1.184 487 V HN 0.000 nan 8.190 nan 0.000 0.556