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 2x79_1_A DATA FIRST_RESID 6 DATA SEQUENCE IEEARSLLNP SNAPTRYAER SVGPFSLAAI WFAXAIQVAI FIAAGQXTSS DATA SEQUENCE FQVWQVIVAI AAGCTIAVIL LFFTQSAAIR WGINFTVAAR XPFGIRGSLI DATA SEQUENCE PITLKALLSL FWFGFQTWLG ALALDEITRL LTGFTNLPLW IVIFGAIQVV DATA SEQUENCE TTFYGITFIR WXNVFASPVL LAXGVYXVYL XLDGADVSLG EVXSXGGENP DATA SEQUENCE GXPFSTAIXI FVGGWIAVVV SIHDIVKECK VDPNASREGQ TKADARYATA DATA SEQUENCE QWLGXVPASI IFGFIGAASX VLVGEWNPVI AITEVVGGVS IPXAILFQVF DATA SEQUENCE VLLATWSTNP AANLLSPAYT LCSTFPRVFT FKTGVIVSAV VGLLXXPWQF DATA SEQUENCE AGVLNTFLNL LASALGPLAG IXISDYFLVR RRRISLHDLY RTKGIYTYWR DATA SEQUENCE GVNWVALAVY AVALAVSFLT PDLXFVTGLI AALLLHIPAX RWVAKTFPLF DATA SEQUENCE SEAESRNEDY LRPIG 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 6 I HA 0.000 nan 4.170 nan 0.000 0.288 6 I C 0.000 176.123 176.117 0.010 0.000 1.063 6 I CA 0.000 61.327 61.300 0.044 0.000 1.566 6 I CB 0.000 38.020 38.000 0.034 0.000 1.214 7 E N 4.422 124.625 120.200 0.006 0.000 2.440 7 E HA 0.745 5.094 4.350 -0.001 0.000 0.263 7 E C -1.267 175.313 176.600 -0.034 0.000 0.938 7 E CA -1.129 55.254 56.400 -0.028 0.000 0.831 7 E CB 2.153 31.849 29.700 -0.007 0.000 1.456 7 E HN 0.399 nan 8.360 nan 0.000 0.427 8 E N -0.068 120.101 120.200 -0.051 0.000 2.292 8 E HA 0.574 4.923 4.350 -0.001 0.000 0.272 8 E C -1.403 175.178 176.600 -0.032 0.000 0.881 8 E CA -1.017 55.356 56.400 -0.044 0.000 0.754 8 E CB 2.157 31.814 29.700 -0.072 0.000 1.201 8 E HN 0.509 nan 8.360 nan 0.000 0.425 9 A N 2.802 125.612 122.820 -0.016 0.000 2.316 9 A HA 0.561 4.880 4.320 -0.001 0.000 0.284 9 A C 0.281 177.858 177.584 -0.011 0.000 1.115 9 A CA -0.174 51.858 52.037 -0.008 0.000 0.812 9 A CB 0.522 19.524 19.000 0.003 0.000 1.064 9 A HN 0.837 nan 8.150 nan 0.000 0.489 10 R N 0.425 120.919 120.500 -0.010 0.000 2.823 10 R HA -0.110 4.229 4.340 -0.001 0.000 0.294 10 R C -0.561 175.727 176.300 -0.019 0.000 0.952 10 R CA 0.765 56.859 56.100 -0.010 0.000 0.695 10 R CB -1.827 28.471 30.300 -0.004 0.000 1.795 10 R HN 1.590 nan 8.270 nan 0.000 0.468 11 S N 3.816 119.500 115.700 -0.027 0.000 2.537 11 S HA 0.817 5.286 4.470 -0.001 0.000 0.301 11 S C -0.002 174.574 174.600 -0.040 0.000 1.092 11 S CA -0.999 57.177 58.200 -0.041 0.000 1.048 11 S CB 2.178 65.344 63.200 -0.057 0.000 1.053 11 S HN 0.362 nan 8.310 nan 0.000 0.501 12 L N 2.526 123.723 121.223 -0.044 0.000 2.385 12 L HA 0.549 4.888 4.340 -0.001 0.000 0.273 12 L C -1.084 175.752 176.870 -0.056 0.000 0.990 12 L CA -0.803 54.016 54.840 -0.036 0.000 0.821 12 L CB 1.704 43.752 42.059 -0.017 0.000 1.279 12 L HN 0.599 nan 8.230 nan 0.000 0.412 13 L N 3.432 124.621 121.223 -0.057 0.000 2.318 13 L HA 0.529 4.868 4.340 -0.001 0.000 0.277 13 L C -0.532 176.314 176.870 -0.040 0.000 1.008 13 L CA -0.448 54.330 54.840 -0.103 0.000 0.846 13 L CB 0.899 42.850 42.059 -0.180 0.000 1.220 13 L HN 0.584 nan 8.230 nan 0.000 0.423 14 N N 3.662 122.336 118.700 -0.043 0.000 2.525 14 N HA 0.447 5.186 4.740 -0.001 0.000 0.288 14 N C -1.713 173.805 175.510 0.014 0.000 1.242 14 N CA -1.674 51.377 53.050 0.000 0.000 0.905 14 N CB 1.342 39.825 38.487 -0.007 0.000 1.258 14 N HN 0.222 nan 8.380 nan 0.000 0.551 15 P HA -0.135 nan 4.420 nan 0.000 0.222 15 P C 0.853 178.148 177.300 -0.008 0.000 1.142 15 P CA 1.237 64.350 63.100 0.022 0.000 0.788 15 P CB 0.168 31.875 31.700 0.011 0.000 0.767 16 S N 0.421 116.100 115.700 -0.035 0.000 2.368 16 S HA -0.104 4.365 4.470 -0.001 0.000 0.224 16 S C 1.715 176.272 174.600 -0.073 0.000 1.029 16 S CA 0.914 59.065 58.200 -0.082 0.000 0.988 16 S CB -1.115 62.021 63.200 -0.105 0.000 0.838 16 S HN 0.222 nan 8.310 nan 0.000 0.462 17 N N 2.489 121.157 118.700 -0.054 0.000 2.467 17 N HA 0.233 4.972 4.740 -0.001 0.000 0.184 17 N C 0.641 176.184 175.510 0.055 0.000 1.106 17 N CA 0.575 53.594 53.050 -0.052 0.000 0.892 17 N CB -0.332 38.065 38.487 -0.150 0.000 0.969 17 N HN 0.529 nan 8.380 nan 0.000 0.454 18 A N 2.621 125.492 122.820 0.084 0.000 2.555 18 A HA 0.173 4.492 4.320 -0.001 0.000 0.233 18 A C -2.070 175.552 177.584 0.063 0.000 1.060 18 A CA -0.492 51.620 52.037 0.125 0.000 0.759 18 A CB -0.354 18.686 19.000 0.067 0.000 0.995 18 A HN 0.009 nan 8.150 nan 0.000 0.506 19 P HA 0.268 nan 4.420 nan 0.000 0.275 19 P C -0.315 176.964 177.300 -0.034 0.000 1.227 19 P CA -0.009 63.073 63.100 -0.030 0.000 0.781 19 P CB 0.683 32.300 31.700 -0.138 0.000 0.906 20 T N 3.819 118.355 114.554 -0.031 0.000 2.851 20 T HA 0.238 4.587 4.350 -0.001 0.000 0.298 20 T C 0.599 175.230 174.700 -0.116 0.000 0.977 20 T CA -0.324 61.748 62.100 -0.047 0.000 1.126 20 T CB 0.292 69.145 68.868 -0.026 0.000 0.916 20 T HN 0.247 nan 8.240 nan 0.000 0.529 21 R N 1.255 121.685 120.500 -0.118 0.000 2.553 21 R HA 0.291 4.630 4.340 -0.001 0.000 0.263 21 R C 0.576 176.773 176.300 -0.173 0.000 1.066 21 R CA -0.726 55.243 56.100 -0.218 0.000 1.135 21 R CB 0.371 30.610 30.300 -0.103 0.000 1.148 21 R HN 0.606 nan 8.270 nan 0.000 0.558 22 Y N -0.162 120.162 120.300 0.040 0.000 2.497 22 Y HA -0.015 4.534 4.550 -0.001 0.000 0.292 22 Y C 1.812 177.727 175.900 0.024 0.000 1.137 22 Y CA 0.702 58.818 58.100 0.027 0.000 1.285 22 Y CB -0.113 38.361 38.460 0.024 0.000 0.991 22 Y HN 0.619 nan 8.280 nan 0.000 0.556 23 A N -0.478 122.421 122.820 0.132 0.000 2.411 23 A HA 0.208 4.527 4.320 -0.001 0.000 0.251 23 A C 1.223 178.840 177.584 0.055 0.000 1.317 23 A CA 0.208 52.298 52.037 0.088 0.000 0.904 23 A CB -0.361 18.681 19.000 0.071 0.000 0.993 23 A HN 0.482 nan 8.150 nan 0.000 0.504 24 E N -0.715 119.515 120.200 0.049 0.000 2.489 24 E HA 0.081 4.430 4.350 -0.001 0.000 0.208 24 E C -0.106 176.517 176.600 0.039 0.000 0.814 24 E CA -0.587 55.833 56.400 0.032 0.000 1.348 24 E CB 0.261 29.969 29.700 0.012 0.000 1.334 24 E HN 0.284 nan 8.360 nan 0.000 0.672 25 R N 1.474 122.004 120.500 0.050 0.000 2.587 25 R HA -0.016 4.323 4.340 -0.001 0.000 0.268 25 R C 0.739 177.076 176.300 0.062 0.000 0.978 25 R CA 0.890 57.024 56.100 0.057 0.000 1.097 25 R CB 0.005 30.354 30.300 0.082 0.000 0.917 25 R HN 0.274 nan 8.270 nan 0.000 0.414 26 S N -1.223 114.515 115.700 0.063 0.000 2.976 26 S HA 0.086 4.555 4.470 -0.001 0.000 0.252 26 S C -0.175 174.478 174.600 0.088 0.000 0.940 26 S CA -0.674 57.567 58.200 0.068 0.000 1.283 26 S CB 0.394 63.626 63.200 0.053 0.000 1.194 26 S HN 0.172 nan 8.310 nan 0.000 0.662 27 V N 2.678 122.657 119.914 0.108 0.000 2.257 27 V HA 0.708 4.827 4.120 -0.001 0.000 0.269 27 V C 0.896 177.141 176.094 0.252 0.000 1.040 27 V CA -0.126 62.265 62.300 0.151 0.000 0.813 27 V CB 0.450 32.343 31.823 0.117 0.000 1.065 27 V HN 0.534 nan 8.190 nan 0.000 0.457 28 G N 4.649 113.588 108.800 0.231 0.000 2.444 28 G HA2 0.416 4.375 3.960 -0.001 0.000 0.268 28 G HA3 0.416 4.375 3.960 -0.001 0.000 0.268 28 G C -1.440 173.612 174.900 0.253 0.000 1.203 28 G CA -1.246 43.995 45.100 0.234 0.000 0.835 28 G HN 0.522 nan 8.290 nan 0.000 0.543 29 P HA -0.213 nan 4.420 nan 0.000 0.220 29 P C 1.220 178.596 177.300 0.125 0.000 1.142 29 P CA 0.875 63.968 63.100 -0.013 0.000 0.801 29 P CB 0.088 31.523 31.700 -0.441 0.000 0.764 30 F N -0.746 119.214 119.950 0.017 0.000 2.149 30 F HA -0.035 4.492 4.527 -0.001 0.000 0.294 30 F C 2.355 178.193 175.800 0.064 0.000 1.095 30 F CA 1.081 59.098 58.000 0.029 0.000 1.276 30 F CB -0.385 38.619 39.000 0.006 0.000 1.023 30 F HN -0.227 nan 8.300 nan 0.000 0.480 31 S N 0.379 116.372 115.700 0.488 0.000 2.453 31 S HA -0.095 4.374 4.470 -0.001 0.000 0.231 31 S C 1.723 176.451 174.600 0.213 0.000 1.005 31 S CA 0.968 59.379 58.200 0.353 0.000 0.949 31 S CB -0.480 62.882 63.200 0.269 0.000 0.774 31 S HN 0.410 nan 8.310 nan 0.000 0.510 32 L N 1.094 122.456 121.223 0.232 0.000 2.418 32 L HA 0.368 4.707 4.340 -0.001 0.000 0.218 32 L C 1.897 178.919 176.870 0.254 0.000 1.125 32 L CA 1.341 56.327 54.840 0.243 0.000 0.835 32 L CB -0.588 41.664 42.059 0.322 0.000 0.953 32 L HN 0.176 nan 8.230 nan 0.000 0.454 33 A N -0.649 122.255 122.820 0.139 0.000 2.123 33 A HA 0.323 4.642 4.320 -0.001 0.000 0.214 33 A C 2.316 179.928 177.584 0.046 0.000 1.152 33 A CA 0.897 52.972 52.037 0.064 0.000 0.728 33 A CB -0.590 18.344 19.000 -0.109 0.000 0.814 33 A HN 0.507 nan 8.150 nan 0.000 0.464 34 A N 0.152 122.985 122.820 0.021 0.000 1.975 34 A HA 0.149 4.468 4.320 -0.001 0.000 0.215 34 A C 1.686 179.364 177.584 0.157 0.000 1.170 34 A CA 0.962 53.037 52.037 0.064 0.000 0.656 34 A CB -0.444 18.587 19.000 0.051 0.000 0.821 34 A HN 0.452 nan 8.150 nan 0.000 0.449 35 I N -2.870 117.770 120.570 0.116 0.000 3.550 35 I HA -0.084 4.085 4.170 -0.001 0.000 0.295 35 I C 1.561 177.626 176.117 -0.087 0.000 1.291 35 I CA 0.430 61.740 61.300 0.016 0.000 1.298 35 I CB -0.166 37.820 38.000 -0.024 0.000 1.026 35 I HN 0.488 nan 8.210 nan 0.000 0.491 36 W N -0.689 120.625 121.300 0.023 0.000 2.901 36 W HA 0.156 4.815 4.660 -0.001 0.000 0.281 36 W C 2.085 178.596 176.519 -0.013 0.000 1.167 36 W CA -0.452 56.870 57.345 -0.037 0.000 1.506 36 W CB 0.190 29.602 29.460 -0.081 0.000 0.985 36 W HN 0.065 nan 8.180 nan 0.000 0.590 37 F N 1.554 121.583 119.950 0.132 0.000 2.074 37 F HA 0.186 4.712 4.527 -0.001 0.000 0.293 37 F C 1.703 177.536 175.800 0.054 0.000 1.116 37 F CA 1.578 59.619 58.000 0.069 0.000 1.212 37 F CB -0.819 38.191 39.000 0.017 0.000 0.998 37 F HN -0.245 nan 8.300 nan 0.000 0.471 41 I N 2.699 123.096 120.570 -0.288 0.000 2.377 41 I HA 0.351 4.520 4.170 -0.001 0.000 0.282 41 I C -0.215 175.565 176.117 -0.563 0.000 1.091 41 I CA 0.004 60.880 61.300 -0.708 0.000 1.207 41 I CB 0.441 38.070 38.000 -0.619 0.000 1.429 41 I HN 0.559 nan 8.210 nan 0.000 0.491 42 Q N 2.985 122.462 119.800 -0.539 0.000 2.426 42 Q HA 0.323 4.662 4.340 -0.001 0.000 0.278 42 Q C -0.352 175.527 176.000 -0.201 0.000 1.007 42 Q CA -0.857 54.763 55.803 -0.306 0.000 0.850 42 Q CB 2.114 30.693 28.738 -0.264 0.000 1.427 42 Q HN 0.094 nan 8.270 nan 0.000 0.391 43 V N 1.254 121.188 119.914 0.033 0.000 2.828 43 V HA -0.256 3.863 4.120 -0.001 0.000 0.260 43 V C 2.161 178.404 176.094 0.247 0.000 1.101 43 V CA 2.331 64.802 62.300 0.285 0.000 1.123 43 V CB -1.242 30.864 31.823 0.472 0.000 0.704 43 V HN 0.861 nan 8.190 nan 0.000 0.493 44 A N -0.380 122.415 122.820 -0.042 0.000 2.070 44 A HA -0.143 4.176 4.320 -0.001 0.000 0.220 44 A C 2.222 179.728 177.584 -0.131 0.000 1.159 44 A CA 1.894 53.789 52.037 -0.237 0.000 0.656 44 A CB -0.321 18.228 19.000 -0.751 0.000 0.800 44 A HN 0.565 nan 8.150 nan 0.000 0.453 45 I N -2.850 117.683 120.570 -0.061 0.000 2.810 45 I HA 0.020 4.189 4.170 -0.001 0.000 0.262 45 I C 2.102 178.378 176.117 0.264 0.000 1.131 45 I CA 0.415 61.742 61.300 0.046 0.000 1.453 45 I CB -0.125 37.871 38.000 -0.007 0.000 1.161 45 I HN 0.393 nan 8.210 nan 0.000 0.444 46 F N 1.776 121.856 119.950 0.217 0.000 2.039 46 F HA -0.395 4.131 4.527 -0.001 0.000 0.296 46 F C 2.398 178.342 175.800 0.240 0.000 1.119 46 F CA 2.359 60.528 58.000 0.281 0.000 1.211 46 F CB -0.127 39.062 39.000 0.315 0.000 0.956 46 F HN 0.043 nan 8.300 nan 0.000 0.496 47 I N -0.485 120.362 120.570 0.462 0.000 2.252 47 I HA -0.276 3.893 4.170 -0.001 0.000 0.245 47 I C 2.663 178.860 176.117 0.132 0.000 1.102 47 I CA 0.988 62.469 61.300 0.301 0.000 1.385 47 I CB -1.077 37.080 38.000 0.262 0.000 1.064 47 I HN 0.157 nan 8.210 nan 0.000 0.414 48 A N 1.239 124.097 122.820 0.063 0.000 1.883 48 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 48 A C 2.500 180.101 177.584 0.029 0.000 1.186 48 A CA 2.157 54.143 52.037 -0.085 0.000 0.624 48 A CB -0.809 18.018 19.000 -0.289 0.000 0.822 48 A HN 0.460 nan 8.150 nan 0.000 0.444 49 A N -0.861 122.105 122.820 0.244 0.000 2.119 49 A HA 0.302 4.621 4.320 -0.001 0.000 0.216 49 A C 2.194 179.930 177.584 0.253 0.000 1.152 49 A CA 1.457 53.711 52.037 0.362 0.000 0.708 49 A CB -0.990 18.261 19.000 0.419 0.000 0.805 49 A HN 0.640 nan 8.150 nan 0.000 0.460 50 G N -0.155 108.786 108.800 0.234 0.000 2.505 50 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.214 50 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.214 50 G C 0.965 175.960 174.900 0.159 0.000 1.237 50 G CA 0.508 45.735 45.100 0.213 0.000 0.802 50 G HN 0.626 nan 8.290 nan 0.000 0.549 54 S N 1.203 116.909 115.700 0.011 0.000 2.371 54 S HA 0.085 4.554 4.470 -0.001 0.000 0.224 54 S C 1.877 176.400 174.600 -0.128 0.000 1.029 54 S CA 1.662 59.840 58.200 -0.036 0.000 0.978 54 S CB -0.335 62.849 63.200 -0.026 0.000 0.833 54 S HN 0.553 nan 8.310 nan 0.000 0.466 55 S N -0.301 115.248 115.700 -0.252 0.000 2.497 55 S HA 0.435 4.904 4.470 -0.001 0.000 0.218 55 S C -0.468 173.598 174.600 -0.890 0.000 1.023 55 S CA -0.203 57.621 58.200 -0.626 0.000 0.913 55 S CB 0.191 62.863 63.200 -0.881 0.000 0.800 55 S HN 0.452 nan 8.310 nan 0.000 0.505 56 F N 1.583 121.530 119.950 -0.005 0.000 2.613 56 F HA 0.439 4.965 4.527 -0.001 0.000 0.314 56 F C 0.003 175.730 175.800 -0.122 0.000 1.075 56 F CA -1.436 56.514 58.000 -0.084 0.000 0.945 56 F CB 1.007 39.956 39.000 -0.086 0.000 1.310 56 F HN -0.146 nan 8.300 nan 0.000 0.467 57 Q N -0.048 119.728 119.800 -0.040 0.000 2.396 57 Q HA 0.357 4.696 4.340 -0.001 0.000 0.221 57 Q C 0.582 176.488 176.000 -0.158 0.000 1.025 57 Q CA -0.649 55.110 55.803 -0.074 0.000 0.946 57 Q CB 0.981 29.754 28.738 0.058 0.000 1.224 57 Q HN 0.529 nan 8.270 nan 0.000 0.539 58 V N 0.421 120.361 119.914 0.043 0.000 3.241 58 V HA -0.180 3.939 4.120 -0.001 0.000 0.269 58 V C 1.626 177.853 176.094 0.222 0.000 1.151 58 V CA 1.455 63.836 62.300 0.136 0.000 1.158 58 V CB -1.320 30.619 31.823 0.193 0.000 0.764 58 V HN 0.886 nan 8.190 nan 0.000 0.508 59 W N -0.034 121.372 121.300 0.176 0.000 2.574 59 W HA 0.033 4.692 4.660 -0.001 0.000 0.282 59 W C 1.822 178.405 176.519 0.107 0.000 1.197 59 W CA 0.304 57.728 57.345 0.132 0.000 1.376 59 W CB -0.841 28.668 29.460 0.082 0.000 1.091 59 W HN 0.197 nan 8.180 nan 0.000 0.569 60 Q N 1.360 120.430 119.800 -1.215 0.000 2.152 60 Q HA -0.176 4.163 4.340 -0.001 0.000 0.206 60 Q C 2.341 178.219 176.000 -0.203 0.000 0.985 60 Q CA 2.795 57.922 55.803 -1.127 0.000 0.863 60 Q CB -0.168 27.809 28.738 -1.269 0.000 0.904 60 Q HN 0.185 nan 8.270 nan 0.000 0.422 61 V N 0.333 120.205 119.914 -0.070 0.000 2.719 61 V HA -0.163 3.956 4.120 -0.001 0.000 0.252 61 V C 1.894 177.996 176.094 0.012 0.000 1.065 61 V CA 0.887 63.235 62.300 0.080 0.000 1.086 61 V CB -0.332 31.594 31.823 0.171 0.000 0.700 61 V HN 0.378 nan 8.190 nan 0.000 0.467 62 I N -0.373 120.248 120.570 0.085 0.000 2.761 62 I HA -0.076 4.093 4.170 -0.001 0.000 0.261 62 I C 2.295 178.454 176.117 0.071 0.000 1.198 62 I CA 1.113 62.465 61.300 0.086 0.000 1.482 62 I CB -0.486 37.618 38.000 0.174 0.000 1.100 62 I HN 0.211 nan 8.210 nan 0.000 0.445 63 V N 1.133 121.131 119.914 0.141 0.000 2.446 63 V HA -0.061 4.058 4.120 -0.001 0.000 0.244 63 V C 2.702 178.896 176.094 0.166 0.000 1.039 63 V CA 1.533 63.951 62.300 0.197 0.000 1.045 63 V CB -0.321 31.677 31.823 0.292 0.000 0.681 63 V HN 0.402 nan 8.190 nan 0.000 0.459 64 A N -0.262 122.655 122.820 0.161 0.000 1.969 64 A HA -0.121 4.198 4.320 -0.001 0.000 0.218 64 A C 2.115 179.467 177.584 -0.386 0.000 1.169 64 A CA 1.495 53.438 52.037 -0.157 0.000 0.635 64 A CB -0.440 18.375 19.000 -0.309 0.000 0.810 64 A HN 0.485 nan 8.150 nan 0.000 0.445 65 I N -0.137 120.076 120.570 -0.595 0.000 2.058 65 I HA -0.325 3.844 4.170 -0.001 0.000 0.235 65 I C 2.929 178.851 176.117 -0.325 0.000 1.053 65 I CA 1.413 62.243 61.300 -0.784 0.000 1.313 65 I CB -0.377 37.333 38.000 -0.484 0.000 1.039 65 I HN 0.337 nan 8.210 nan 0.000 0.396 66 A N 0.292 123.012 122.820 -0.167 0.000 2.125 66 A HA -0.103 4.216 4.320 -0.001 0.000 0.219 66 A C 2.368 179.954 177.584 0.003 0.000 1.156 66 A CA 1.711 53.701 52.037 -0.078 0.000 0.671 66 A CB -0.704 18.297 19.000 0.001 0.000 0.794 66 A HN 0.520 nan 8.150 nan 0.000 0.459 67 A N -0.459 122.348 122.820 -0.021 0.000 1.898 67 A HA 0.274 4.593 4.320 -0.001 0.000 0.214 67 A C 2.340 179.925 177.584 0.002 0.000 1.183 67 A CA 1.540 53.585 52.037 0.013 0.000 0.622 67 A CB -1.264 17.734 19.000 -0.002 0.000 0.824 67 A HN 0.617 nan 8.150 nan 0.000 0.444 68 G N -0.199 108.593 108.800 -0.013 0.000 2.552 68 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.216 68 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.216 68 G C 1.608 176.541 174.900 0.056 0.000 1.240 68 G CA 1.455 46.599 45.100 0.073 0.000 0.796 68 G HN 0.528 nan 8.290 nan 0.000 0.568 69 C N 0.386 119.692 119.300 0.011 0.000 2.396 69 C HA -0.093 4.366 4.460 -0.001 0.000 0.279 69 C C 3.134 178.090 174.990 -0.056 0.000 1.229 69 C CA 1.430 60.347 59.018 -0.168 0.000 1.801 69 C CB -1.475 26.068 27.740 -0.329 0.000 2.050 69 C HN 0.483 nan 8.230 nan 0.000 0.491 70 T N 1.408 116.017 114.554 0.092 0.000 2.643 70 T HA -0.063 4.286 4.350 -0.001 0.000 0.264 70 T C 1.565 176.322 174.700 0.096 0.000 1.045 70 T CA 1.483 63.716 62.100 0.222 0.000 1.155 70 T CB -0.238 68.752 68.868 0.204 0.000 0.863 70 T HN 0.525 nan 8.240 nan 0.000 0.420 71 I N 1.235 121.835 120.570 0.050 0.000 2.567 71 I HA -0.108 4.061 4.170 -0.001 0.000 0.257 71 I C 2.688 178.826 176.117 0.036 0.000 1.184 71 I CA 0.778 62.100 61.300 0.036 0.000 1.451 71 I CB -0.514 37.507 38.000 0.036 0.000 1.089 71 I HN 0.184 nan 8.210 nan 0.000 0.441 72 A N 0.485 123.311 122.820 0.010 0.000 1.970 72 A HA -0.014 4.305 4.320 -0.001 0.000 0.216 72 A C 2.370 179.924 177.584 -0.051 0.000 1.170 72 A CA 0.831 52.857 52.037 -0.018 0.000 0.645 72 A CB -0.470 18.470 19.000 -0.100 0.000 0.816 72 A HN 0.229 nan 8.150 nan 0.000 0.447 73 V N 0.355 120.246 119.914 -0.039 0.000 2.719 73 V HA -0.149 3.970 4.120 -0.001 0.000 0.252 73 V C 2.283 178.426 176.094 0.082 0.000 1.065 73 V CA 1.332 63.628 62.300 -0.007 0.000 1.086 73 V CB -0.503 31.380 31.823 0.099 0.000 0.700 73 V HN 0.556 nan 8.190 nan 0.000 0.467 74 I N -0.378 120.227 120.570 0.058 0.000 2.286 74 I HA -0.237 3.932 4.170 -0.001 0.000 0.248 74 I C 2.192 178.333 176.117 0.039 0.000 1.115 74 I CA 1.560 62.885 61.300 0.042 0.000 1.392 74 I CB -0.256 37.724 38.000 -0.033 0.000 1.065 74 I HN 0.271 nan 8.210 nan 0.000 0.418 75 L N -0.072 121.170 121.223 0.031 0.000 2.209 75 L HA -0.107 4.232 4.340 -0.001 0.000 0.207 75 L C 2.529 179.478 176.870 0.132 0.000 1.094 75 L CA 0.834 55.691 54.840 0.028 0.000 0.790 75 L CB -0.413 41.687 42.059 0.068 0.000 0.932 75 L HN 0.270 nan 8.230 nan 0.000 0.447 76 L N -0.622 120.676 121.223 0.127 0.000 1.989 76 L HA -0.292 4.047 4.340 -0.001 0.000 0.211 76 L C 2.572 179.556 176.870 0.189 0.000 1.071 76 L CA 1.599 56.509 54.840 0.117 0.000 0.749 76 L CB -0.536 41.541 42.059 0.030 0.000 0.890 76 L HN 0.115 nan 8.230 nan 0.000 0.431 77 F N 0.344 120.376 119.950 0.137 0.000 2.024 77 F HA -0.388 4.138 4.527 -0.002 0.000 0.296 77 F C 2.208 178.142 175.800 0.222 0.000 1.137 77 F CA 2.037 60.147 58.000 0.183 0.000 1.200 77 F CB -0.567 38.580 39.000 0.245 0.000 0.954 77 F HN -0.096 nan 8.300 nan 0.000 0.497 78 F N 0.860 120.976 119.950 0.276 0.000 2.069 78 F HA -0.227 4.299 4.527 -0.001 0.000 0.298 78 F C 2.966 178.827 175.800 0.102 0.000 1.113 78 F CA 2.038 60.044 58.000 0.011 0.000 1.214 78 F CB -1.839 37.003 39.000 -0.264 0.000 0.978 78 F HN 0.210 nan 8.300 nan 0.000 0.474 79 T N -0.655 114.057 114.554 0.263 0.000 2.674 79 T HA -0.287 4.063 4.350 -0.001 0.000 0.265 79 T C 1.923 176.605 174.700 -0.029 0.000 1.039 79 T CA 1.543 63.728 62.100 0.142 0.000 1.150 79 T CB -1.098 67.805 68.868 0.059 0.000 0.864 79 T HN 0.557 nan 8.240 nan 0.000 0.427 80 Q N 1.046 120.803 119.800 -0.071 0.000 2.173 80 Q HA -0.207 4.132 4.340 -0.001 0.000 0.208 80 Q C 2.453 178.376 176.000 -0.129 0.000 0.989 80 Q CA 2.164 57.873 55.803 -0.157 0.000 0.872 80 Q CB -0.893 27.780 28.738 -0.108 0.000 0.909 80 Q HN 0.568 nan 8.270 nan 0.000 0.420 81 S N 0.916 116.608 115.700 -0.013 0.000 2.368 81 S HA -0.253 4.216 4.470 -0.001 0.000 0.226 81 S C 2.074 176.678 174.600 0.008 0.000 1.044 81 S CA 1.881 60.107 58.200 0.044 0.000 1.062 81 S CB -0.642 62.731 63.200 0.289 0.000 0.931 81 S HN 0.651 nan 8.310 nan 0.000 0.440 82 A N 1.770 124.523 122.820 -0.112 0.000 1.869 82 A HA -0.042 4.278 4.320 -0.001 0.000 0.218 82 A C 2.553 180.113 177.584 -0.041 0.000 1.203 82 A CA 2.633 54.386 52.037 -0.474 0.000 0.638 82 A CB -1.710 16.899 19.000 -0.652 0.000 0.831 82 A HN 0.921 nan 8.150 nan 0.000 0.450 83 A N -0.063 122.765 122.820 0.012 0.000 1.883 83 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 83 A C 2.148 179.730 177.584 -0.004 0.000 1.186 83 A CA 1.738 53.820 52.037 0.076 0.000 0.624 83 A CB -0.785 18.240 19.000 0.042 0.000 0.822 83 A HN 0.596 nan 8.150 nan 0.000 0.444 84 I N -1.577 118.937 120.570 -0.093 0.000 2.113 84 I HA -0.258 3.911 4.170 -0.001 0.000 0.238 84 I C 2.667 178.709 176.117 -0.124 0.000 1.070 84 I CA 1.557 62.774 61.300 -0.138 0.000 1.332 84 I CB -0.715 37.151 38.000 -0.223 0.000 1.044 84 I HN 0.239 nan 8.210 nan 0.000 0.402 85 R N 0.784 121.163 120.500 -0.202 0.000 2.112 85 R HA -0.218 4.121 4.340 -0.001 0.000 0.242 85 R C 1.909 177.925 176.300 -0.473 0.000 1.137 85 R CA 2.321 58.149 56.100 -0.452 0.000 0.944 85 R CB -0.652 29.213 30.300 -0.725 0.000 0.857 85 R HN 0.542 nan 8.270 nan 0.000 0.435 86 W N -1.894 119.425 121.300 0.031 0.000 2.798 86 W HA 0.308 4.968 4.660 -0.002 0.000 0.260 86 W C 0.613 177.099 176.519 -0.054 0.000 1.165 86 W CA 0.358 57.707 57.345 0.007 0.000 1.501 86 W CB 0.107 29.566 29.460 -0.003 0.000 1.023 86 W HN 0.336 nan 8.180 nan 0.000 0.615 87 G N 2.243 111.140 108.800 0.163 0.000 2.858 87 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.272 87 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.272 87 G C -0.753 174.191 174.900 0.074 0.000 1.003 87 G CA -0.338 44.803 45.100 0.068 0.000 1.241 87 G HN 0.418 nan 8.290 nan 0.000 0.569 88 I N -2.128 118.500 120.570 0.097 0.000 2.894 88 I HA 0.661 4.831 4.170 -0.001 0.000 0.302 88 I C -0.119 176.057 176.117 0.099 0.000 1.188 88 I CA -1.675 59.677 61.300 0.087 0.000 1.014 88 I CB 1.776 39.823 38.000 0.077 0.000 1.242 88 I HN 0.069 nan 8.210 nan 0.000 0.430 89 N N 1.626 120.359 118.700 0.055 0.000 2.297 89 N HA 0.162 4.901 4.740 -0.001 0.000 0.232 89 N C 0.262 175.825 175.510 0.089 0.000 1.311 89 N CA -0.132 52.954 53.050 0.059 0.000 0.897 89 N CB 0.406 38.881 38.487 -0.020 0.000 1.137 89 N HN 0.813 nan 8.380 nan 0.000 0.449 90 F N 0.045 119.976 119.950 -0.031 0.000 2.367 90 F HA -0.104 4.422 4.527 -0.002 0.000 0.298 90 F C 1.711 177.419 175.800 -0.153 0.000 1.094 90 F CA 0.767 58.678 58.000 -0.147 0.000 1.409 90 F CB 0.108 39.115 39.000 0.011 0.000 1.064 90 F HN 0.382 nan 8.300 nan 0.000 0.528 91 T N -0.389 113.982 114.554 -0.307 0.000 2.881 91 T HA -0.124 4.225 4.350 -0.001 0.000 0.270 91 T C 1.854 176.349 174.700 -0.342 0.000 1.068 91 T CA 1.245 63.102 62.100 -0.406 0.000 1.131 91 T CB -0.388 68.339 68.868 -0.235 0.000 0.871 91 T HN 0.193 nan 8.240 nan 0.000 0.479 92 V N 1.014 120.781 119.914 -0.245 0.000 2.575 92 V HA 0.185 4.304 4.120 -0.001 0.000 0.242 92 V C 2.813 178.783 176.094 -0.207 0.000 1.045 92 V CA 1.150 63.324 62.300 -0.211 0.000 1.065 92 V CB -0.794 30.968 31.823 -0.101 0.000 0.717 92 V HN 0.502 nan 8.190 nan 0.000 0.467 93 A N 0.102 122.794 122.820 -0.213 0.000 2.119 93 A HA 0.165 4.485 4.320 -0.001 0.000 0.216 93 A C 2.241 179.720 177.584 -0.175 0.000 1.152 93 A CA 1.224 53.129 52.037 -0.220 0.000 0.708 93 A CB -0.474 18.324 19.000 -0.336 0.000 0.805 93 A HN 0.516 nan 8.150 nan 0.000 0.460 94 A N -0.135 122.564 122.820 -0.202 0.000 2.178 94 A HA -0.024 4.295 4.320 -0.001 0.000 0.218 94 A C 1.516 179.087 177.584 -0.022 0.000 1.157 94 A CA 0.662 52.649 52.037 -0.085 0.000 0.689 94 A CB -0.250 18.509 19.000 -0.402 0.000 0.787 94 A HN 0.589 nan 8.150 nan 0.000 0.465 98 F N 1.632 121.521 119.950 -0.102 0.000 2.457 98 F HA 0.655 5.181 4.527 -0.001 0.000 0.330 98 F C 1.552 177.283 175.800 -0.115 0.000 1.069 98 F CA -0.397 57.500 58.000 -0.173 0.000 1.009 98 F CB 0.400 39.302 39.000 -0.165 0.000 1.276 98 F HN -0.046 nan 8.300 nan 0.000 0.492 99 G N 0.179 109.023 108.800 0.074 0.000 2.683 99 G HA2 0.229 4.188 3.960 -0.001 0.000 0.260 99 G HA3 0.229 4.188 3.960 -0.001 0.000 0.260 99 G C 0.551 175.488 174.900 0.061 0.000 1.238 99 G CA -0.502 44.683 45.100 0.142 0.000 0.934 99 G HN 0.720 nan 8.290 nan 0.000 0.534 100 I N -0.796 119.800 120.570 0.044 0.000 3.419 100 I HA 0.081 4.250 4.170 -0.001 0.000 0.286 100 I C 2.333 178.404 176.117 -0.077 0.000 1.268 100 I CA 0.429 61.705 61.300 -0.039 0.000 1.414 100 I CB 0.055 38.032 38.000 -0.039 0.000 1.074 100 I HN 0.411 nan 8.210 nan 0.000 0.457 101 R N -0.093 120.369 120.500 -0.063 0.000 2.419 101 R HA 0.236 4.575 4.340 -0.001 0.000 0.235 101 R C 1.706 177.933 176.300 -0.121 0.000 0.899 101 R CA 0.387 56.432 56.100 -0.092 0.000 1.048 101 R CB 0.370 30.631 30.300 -0.065 0.000 1.182 101 R HN 0.202 nan 8.270 nan 0.000 0.544 102 G N 0.537 109.265 108.800 -0.120 0.000 3.277 102 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.243 102 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.243 102 G C 0.994 175.790 174.900 -0.173 0.000 1.107 102 G CA 0.005 44.991 45.100 -0.190 0.000 0.771 102 G HN 0.252 nan 8.290 nan 0.000 0.544 103 S N -0.147 115.486 115.700 -0.113 0.000 2.561 103 S HA 0.149 4.618 4.470 -0.001 0.000 0.225 103 S C 1.906 176.369 174.600 -0.228 0.000 0.977 103 S CA -0.012 58.131 58.200 -0.096 0.000 0.926 103 S CB -0.109 63.045 63.200 -0.077 0.000 0.769 103 S HN 0.211 nan 8.310 nan 0.000 0.533 104 L N 0.569 121.654 121.223 -0.230 0.000 2.554 104 L HA 0.242 4.581 4.340 -0.001 0.000 0.226 104 L C 1.879 178.605 176.870 -0.241 0.000 1.137 104 L CA 0.293 55.000 54.840 -0.222 0.000 0.863 104 L CB -0.343 41.606 42.059 -0.184 0.000 0.985 104 L HN 0.349 nan 8.230 nan 0.000 0.451 105 I N 0.366 120.738 120.570 -0.330 0.000 2.179 105 I HA -0.171 3.998 4.170 -0.001 0.000 0.242 105 I C -0.305 175.611 176.117 -0.335 0.000 1.088 105 I CA 1.243 62.329 61.300 -0.357 0.000 1.357 105 I CB -1.602 36.106 38.000 -0.487 0.000 1.051 105 I HN 0.213 nan 8.210 nan 0.000 0.409 106 P HA -0.023 nan 4.420 nan 0.000 0.220 106 P C 1.964 179.217 177.300 -0.079 0.000 1.154 106 P CA 1.324 64.311 63.100 -0.188 0.000 0.830 106 P CB 0.015 31.646 31.700 -0.114 0.000 0.803 107 I N -0.314 120.144 120.570 -0.187 0.000 2.623 107 I HA -0.207 3.962 4.170 -0.001 0.000 0.261 107 I C 2.079 178.143 176.117 -0.090 0.000 1.204 107 I CA 1.450 62.625 61.300 -0.208 0.000 1.444 107 I CB -0.651 37.158 38.000 -0.318 0.000 1.094 107 I HN 0.050 nan 8.210 nan 0.000 0.451 108 T N 0.291 114.793 114.554 -0.085 0.000 2.988 108 T HA 0.050 4.399 4.350 -0.001 0.000 0.240 108 T C 1.869 176.555 174.700 -0.024 0.000 1.014 108 T CA 0.161 62.233 62.100 -0.045 0.000 1.155 108 T CB -0.092 68.747 68.868 -0.049 0.000 0.872 108 T HN 0.263 nan 8.240 nan 0.000 0.440 109 L N 1.196 122.391 121.223 -0.047 0.000 2.197 109 L HA -0.147 4.192 4.340 -0.001 0.000 0.215 109 L C 2.304 179.185 176.870 0.018 0.000 1.095 109 L CA 1.576 56.395 54.840 -0.034 0.000 0.764 109 L CB -0.101 41.920 42.059 -0.062 0.000 0.897 109 L HN 0.078 nan 8.230 nan 0.000 0.436 110 K N -0.347 120.092 120.400 0.065 0.000 2.334 110 K HA 0.088 4.407 4.320 -0.001 0.000 0.195 110 K C 1.587 178.270 176.600 0.138 0.000 1.045 110 K CA 0.820 57.190 56.287 0.138 0.000 1.004 110 K CB 0.380 33.036 32.500 0.260 0.000 0.837 110 K HN 0.352 nan 8.250 nan 0.000 0.510 111 A N 0.995 123.871 122.820 0.094 0.000 2.238 111 A HA 0.142 4.461 4.320 -0.001 0.000 0.208 111 A C 1.696 179.322 177.584 0.070 0.000 1.177 111 A CA 0.172 52.260 52.037 0.086 0.000 0.804 111 A CB -0.185 18.846 19.000 0.052 0.000 0.823 111 A HN 0.236 nan 8.150 nan 0.000 0.482 112 L N -0.821 120.433 121.223 0.050 0.000 2.477 112 L HA 0.080 4.419 4.340 -0.001 0.000 0.220 112 L C 2.091 178.986 176.870 0.041 0.000 1.106 112 L CA -0.046 54.810 54.840 0.028 0.000 0.851 112 L CB -0.123 41.924 42.059 -0.020 0.000 0.994 112 L HN 0.306 nan 8.230 nan 0.000 0.462 113 L N 0.015 121.283 121.223 0.076 0.000 2.023 113 L HA -0.133 4.206 4.340 -0.001 0.000 0.205 113 L C 2.830 179.858 176.870 0.263 0.000 1.073 113 L CA 2.121 57.034 54.840 0.121 0.000 0.745 113 L CB -0.867 41.320 42.059 0.213 0.000 0.900 113 L HN 0.401 nan 8.230 nan 0.000 0.435 114 S N -0.332 115.541 115.700 0.288 0.000 2.440 114 S HA -0.195 4.274 4.470 -0.001 0.000 0.240 114 S C 1.971 176.746 174.600 0.291 0.000 1.014 114 S CA 1.073 59.464 58.200 0.319 0.000 0.980 114 S CB -0.623 62.706 63.200 0.214 0.000 0.775 114 S HN 0.366 nan 8.310 nan 0.000 0.499 115 L N -0.435 120.919 121.223 0.219 0.000 2.068 115 L HA 0.146 4.485 4.340 -0.001 0.000 0.204 115 L C 2.396 179.411 176.870 0.242 0.000 1.076 115 L CA 1.378 56.357 54.840 0.231 0.000 0.753 115 L CB -0.613 41.536 42.059 0.149 0.000 0.910 115 L HN 0.308 nan 8.230 nan 0.000 0.439 116 F N -0.035 119.890 119.950 -0.042 0.000 2.120 116 F HA -0.283 4.243 4.527 -0.002 0.000 0.300 116 F C 1.704 177.396 175.800 -0.180 0.000 1.095 116 F CA 1.634 59.493 58.000 -0.235 0.000 1.249 116 F CB -0.291 38.397 39.000 -0.520 0.000 0.995 116 F HN 0.023 nan 8.300 nan 0.000 0.480 117 W N -1.442 119.966 121.300 0.180 0.000 3.077 117 W HA -0.015 4.645 4.660 -0.001 0.000 0.245 117 W C 1.626 178.296 176.519 0.250 0.000 1.316 117 W CA -0.264 57.156 57.345 0.125 0.000 1.537 117 W CB -0.296 29.255 29.460 0.152 0.000 1.131 117 W HN 0.101 nan 8.180 nan 0.000 0.695 118 F N 0.039 120.140 119.950 0.251 0.000 2.437 118 F HA 0.285 4.811 4.527 -0.001 0.000 0.288 118 F C 2.126 178.075 175.800 0.247 0.000 1.085 118 F CA 1.286 59.431 58.000 0.241 0.000 1.430 118 F CB -0.740 38.368 39.000 0.180 0.000 1.120 118 F HN -0.165 nan 8.300 nan 0.000 0.556 119 G N 0.063 108.913 108.800 0.084 0.000 2.453 119 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.215 119 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.215 119 G C 1.649 176.673 174.900 0.206 0.000 1.201 119 G CA 0.813 45.963 45.100 0.083 0.000 0.784 119 G HN 0.391 nan 8.290 nan 0.000 0.545 120 F N 0.895 120.794 119.950 -0.085 0.000 2.373 120 F HA -0.039 4.487 4.527 -0.001 0.000 0.300 120 F C 2.605 178.592 175.800 0.311 0.000 1.080 120 F CA 1.757 59.771 58.000 0.024 0.000 1.417 120 F CB 0.252 39.093 39.000 -0.265 0.000 1.070 120 F HN 0.264 nan 8.300 nan 0.000 0.546 121 Q N -1.129 118.895 119.800 0.373 0.000 2.390 121 Q HA -0.003 4.336 4.340 -0.001 0.000 0.216 121 Q C 1.972 178.072 176.000 0.166 0.000 0.916 121 Q CA 1.398 57.404 55.803 0.337 0.000 0.911 121 Q CB -0.134 28.843 28.738 0.397 0.000 1.035 121 Q HN 0.161 nan 8.270 nan 0.000 0.541 122 T N -0.064 114.501 114.554 0.018 0.000 2.962 122 T HA -0.136 4.213 4.350 -0.001 0.000 0.270 122 T C 0.757 175.397 174.700 -0.100 0.000 1.088 122 T CA 1.055 63.176 62.100 0.035 0.000 1.127 122 T CB -0.359 68.460 68.868 -0.081 0.000 0.883 122 T HN 0.536 nan 8.240 nan 0.000 0.493 123 W N 1.366 122.514 121.300 -0.253 0.000 2.465 123 W HA 0.061 4.720 4.660 -0.002 0.000 0.268 123 W C 1.204 177.492 176.519 -0.385 0.000 1.242 123 W CA 0.587 57.684 57.345 -0.413 0.000 1.248 123 W CB -0.279 28.933 29.460 -0.414 0.000 1.118 123 W HN 0.206 nan 8.180 nan 0.000 0.587 124 L N -0.032 120.953 121.223 -0.396 0.000 2.416 124 L HA 0.236 4.575 4.340 -0.001 0.000 0.216 124 L C 2.672 179.231 176.870 -0.518 0.000 1.098 124 L CA 0.789 55.309 54.840 -0.534 0.000 0.840 124 L CB -1.208 40.726 42.059 -0.209 0.000 0.981 124 L HN 0.101 nan 8.230 nan 0.000 0.462 125 G N 0.290 108.710 108.800 -0.633 0.000 2.442 125 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.219 125 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.219 125 G C 1.718 176.104 174.900 -0.856 0.000 1.141 125 G CA 0.997 45.407 45.100 -1.150 0.000 0.763 125 G HN 0.438 nan 8.290 nan 0.000 0.554 126 A N 0.865 123.301 122.820 -0.640 0.000 1.832 126 A HA 0.153 4.473 4.320 -0.001 0.000 0.214 126 A C 2.389 179.663 177.584 -0.517 0.000 1.204 126 A CA 1.193 52.972 52.037 -0.430 0.000 0.606 126 A CB -0.618 18.201 19.000 -0.302 0.000 0.849 126 A HN 0.300 nan 8.150 nan 0.000 0.445 127 L N -0.764 120.083 121.223 -0.628 0.000 2.151 127 L HA -0.307 4.032 4.340 -0.001 0.000 0.215 127 L C 2.805 179.392 176.870 -0.471 0.000 1.084 127 L CA 1.384 55.875 54.840 -0.582 0.000 0.764 127 L CB -0.591 41.020 42.059 -0.747 0.000 0.891 127 L HN 0.511 nan 8.230 nan 0.000 0.435 128 A N -0.978 121.559 122.820 -0.471 0.000 1.997 128 A HA 0.066 4.385 4.320 -0.001 0.000 0.212 128 A C 2.185 179.498 177.584 -0.452 0.000 1.178 128 A CA 0.276 52.087 52.037 -0.378 0.000 0.698 128 A CB -0.184 18.643 19.000 -0.289 0.000 0.842 128 A HN 0.309 nan 8.150 nan 0.000 0.458 129 L N -0.699 120.152 121.223 -0.621 0.000 2.240 129 L HA -0.075 4.264 4.340 -0.001 0.000 0.211 129 L C 1.915 178.081 176.870 -1.172 0.000 1.106 129 L CA 1.545 55.849 54.840 -0.894 0.000 0.793 129 L CB 0.009 41.431 42.059 -1.061 0.000 0.927 129 L HN 0.404 nan 8.230 nan 0.000 0.446 130 D N -0.793 119.047 120.400 -0.933 0.000 2.301 130 D HA -0.155 4.485 4.640 -0.001 0.000 0.206 130 D C 1.926 177.960 176.300 -0.444 0.000 0.979 130 D CA 0.488 54.079 54.000 -0.681 0.000 0.874 130 D CB 0.485 41.098 40.800 -0.311 0.000 0.968 130 D HN 0.049 nan 8.370 nan 0.000 0.510 131 E N 0.021 119.983 120.200 -0.396 0.000 2.158 131 E HA -0.016 4.333 4.350 -0.001 0.000 0.191 131 E C 2.133 178.574 176.600 -0.265 0.000 0.982 131 E CA 0.733 56.956 56.400 -0.294 0.000 0.823 131 E CB -0.236 29.310 29.700 -0.256 0.000 0.766 131 E HN 0.589 nan 8.360 nan 0.000 0.468 132 I N -1.761 118.629 120.570 -0.299 0.000 2.928 132 I HA 0.003 4.172 4.170 -0.001 0.000 0.266 132 I C 1.595 177.571 176.117 -0.235 0.000 1.234 132 I CA 1.499 62.659 61.300 -0.233 0.000 1.483 132 I CB -0.252 37.613 38.000 -0.224 0.000 1.097 132 I HN 0.037 nan 8.210 nan 0.000 0.455 133 T N -1.076 113.278 114.554 -0.333 0.000 3.001 133 T HA 0.174 4.523 4.350 -0.001 0.000 0.251 133 T C 1.784 176.179 174.700 -0.508 0.000 1.040 133 T CA 0.287 62.194 62.100 -0.321 0.000 0.985 133 T CB -0.000 68.719 68.868 -0.248 0.000 1.011 133 T HN 0.482 nan 8.240 nan 0.000 0.509 134 R N 1.285 121.508 120.500 -0.463 0.000 2.189 134 R HA 0.398 4.737 4.340 -0.001 0.000 0.203 134 R C 1.608 177.784 176.300 -0.207 0.000 1.012 134 R CA 0.568 56.434 56.100 -0.391 0.000 1.015 134 R CB -1.002 29.101 30.300 -0.328 0.000 0.938 134 R HN 0.361 nan 8.270 nan 0.000 0.472 135 L N 0.892 122.008 121.223 -0.180 0.000 2.715 135 L HA 0.295 4.634 4.340 -0.001 0.000 0.238 135 L C 0.693 177.512 176.870 -0.084 0.000 1.212 135 L CA 0.251 55.023 54.840 -0.113 0.000 1.017 135 L CB 0.018 42.015 42.059 -0.103 0.000 1.269 135 L HN 0.323 nan 8.230 nan 0.000 0.452 136 L N -1.905 119.267 121.223 -0.085 0.000 3.406 136 L HA 0.124 4.463 4.340 -0.001 0.000 0.309 136 L C 0.702 177.588 176.870 0.027 0.000 1.159 136 L CA 0.339 55.162 54.840 -0.029 0.000 1.122 136 L CB 1.015 43.058 42.059 -0.028 0.000 1.633 136 L HN 0.107 nan 8.230 nan 0.000 0.607 137 T N -1.741 112.828 114.554 0.025 0.000 3.515 137 T HA 0.145 4.494 4.350 -0.001 0.000 0.306 137 T C 1.117 175.906 174.700 0.149 0.000 0.881 137 T CA 0.393 62.593 62.100 0.167 0.000 0.930 137 T CB 1.109 70.261 68.868 0.473 0.000 1.206 137 T HN 0.232 nan 8.240 nan 0.000 0.662 138 G N 2.650 111.448 108.800 -0.004 0.000 2.216 138 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.269 138 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.269 138 G C 0.097 175.011 174.900 0.024 0.000 0.981 138 G CA 1.021 46.114 45.100 -0.012 0.000 0.658 138 G HN 0.797 nan 8.290 nan 0.000 0.539 139 F N 0.480 120.442 119.950 0.019 0.000 2.385 139 F HA 0.803 5.329 4.527 -0.002 0.000 0.336 139 F C -0.045 175.786 175.800 0.053 0.000 1.100 139 F CA -0.919 57.098 58.000 0.029 0.000 1.116 139 F CB 1.682 40.702 39.000 0.033 0.000 1.166 139 F HN -0.026 nan 8.300 nan 0.000 0.511 140 T N 3.636 118.273 114.554 0.138 0.000 2.881 140 T HA 0.276 4.625 4.350 -0.001 0.000 0.291 140 T C -1.215 173.589 174.700 0.173 0.000 0.990 140 T CA -0.660 61.465 62.100 0.042 0.000 0.976 140 T CB 0.676 69.532 68.868 -0.020 0.000 0.970 140 T HN 0.686 nan 8.240 nan 0.000 0.438 141 N N 3.464 122.300 118.700 0.226 0.000 2.750 141 N HA 0.171 4.911 4.740 -0.001 0.000 0.253 141 N C 0.742 176.328 175.510 0.126 0.000 1.408 141 N CA -0.530 52.595 53.050 0.125 0.000 0.780 141 N CB 0.687 39.186 38.487 0.020 0.000 1.191 141 N HN 0.447 nan 8.380 nan 0.000 0.511 142 L N 4.039 125.308 121.223 0.077 0.000 1.991 142 L HA -0.013 4.326 4.340 -0.001 0.000 0.221 142 L C -1.023 175.848 176.870 0.002 0.000 1.079 142 L CA 2.461 57.312 54.840 0.019 0.000 0.778 142 L CB -0.785 41.241 42.059 -0.054 0.000 0.893 142 L HN 0.339 nan 8.230 nan 0.000 0.437 143 P HA -0.063 nan 4.420 nan 0.000 0.225 143 P C 1.798 179.072 177.300 -0.044 0.000 1.156 143 P CA 0.703 63.789 63.100 -0.022 0.000 0.787 143 P CB -0.073 31.630 31.700 0.004 0.000 0.802 144 L N -1.209 119.937 121.223 -0.129 0.000 2.017 144 L HA -0.042 4.298 4.340 -0.001 0.000 0.208 144 L C 1.977 178.710 176.870 -0.228 0.000 1.073 144 L CA 1.836 56.523 54.840 -0.255 0.000 0.745 144 L CB -1.395 40.380 42.059 -0.473 0.000 0.894 144 L HN -0.075 nan 8.230 nan 0.000 0.432 145 W N -0.461 120.835 121.300 -0.007 0.000 2.388 145 W HA -0.105 4.555 4.660 -0.001 0.000 0.294 145 W C 2.519 179.034 176.519 -0.006 0.000 1.212 145 W CA 0.591 57.926 57.345 -0.017 0.000 1.271 145 W CB -0.240 29.162 29.460 -0.097 0.000 1.126 145 W HN 0.070 nan 8.180 nan 0.000 0.535 146 I N -0.264 120.391 120.570 0.142 0.000 2.423 146 I HA -0.273 3.896 4.170 -0.001 0.000 0.254 146 I C 1.838 178.039 176.117 0.141 0.000 1.151 146 I CA 1.090 62.433 61.300 0.072 0.000 1.421 146 I CB -0.306 37.668 38.000 -0.044 0.000 1.079 146 I HN -0.105 nan 8.210 nan 0.000 0.431 147 V N 0.408 120.392 119.914 0.117 0.000 2.685 147 V HA -0.086 4.033 4.120 -0.001 0.000 0.244 147 V C 2.078 178.255 176.094 0.138 0.000 1.054 147 V CA 0.827 63.193 62.300 0.110 0.000 1.076 147 V CB 0.292 32.147 31.823 0.054 0.000 0.725 147 V HN 0.248 nan 8.190 nan 0.000 0.467 148 I N -0.788 119.875 120.570 0.155 0.000 2.361 148 I HA -0.251 3.918 4.170 -0.001 0.000 0.251 148 I C 2.209 178.504 176.117 0.297 0.000 1.133 148 I CA 1.829 63.250 61.300 0.202 0.000 1.413 148 I CB -0.289 37.856 38.000 0.242 0.000 1.073 148 I HN 0.307 nan 8.210 nan 0.000 0.424 149 F N 1.212 121.272 119.950 0.182 0.000 2.234 149 F HA 0.060 4.586 4.527 -0.002 0.000 0.296 149 F C 2.308 178.218 175.800 0.184 0.000 1.089 149 F CA 1.095 59.207 58.000 0.187 0.000 1.343 149 F CB -0.437 38.646 39.000 0.139 0.000 1.040 149 F HN -0.062 nan 8.300 nan 0.000 0.498 150 G N -1.052 107.902 108.800 0.257 0.000 2.882 150 G HA2 0.160 4.119 3.960 -0.001 0.000 0.206 150 G HA3 0.160 4.119 3.960 -0.001 0.000 0.206 150 G C 1.271 176.264 174.900 0.155 0.000 1.155 150 G CA 0.644 45.864 45.100 0.199 0.000 0.800 150 G HN 0.500 nan 8.290 nan 0.000 0.524 151 A N 0.172 123.066 122.820 0.124 0.000 1.988 151 A HA 0.373 4.692 4.320 -0.001 0.000 0.201 151 A C 2.102 179.728 177.584 0.071 0.000 1.410 151 A CA 0.195 52.289 52.037 0.095 0.000 0.832 151 A CB -0.007 19.051 19.000 0.097 0.000 0.981 151 A HN 0.211 nan 8.150 nan 0.000 0.492 152 I N 0.579 121.196 120.570 0.077 0.000 2.087 152 I HA -0.371 3.798 4.170 -0.001 0.000 0.240 152 I C 2.657 178.798 176.117 0.041 0.000 1.054 152 I CA 1.590 62.952 61.300 0.103 0.000 1.311 152 I CB -0.485 37.605 38.000 0.150 0.000 1.024 152 I HN 0.301 nan 8.210 nan 0.000 0.402 153 Q N 0.554 120.318 119.800 -0.059 0.000 2.029 153 Q HA -0.214 4.125 4.340 -0.001 0.000 0.209 153 Q C 2.501 178.372 176.000 -0.215 0.000 0.999 153 Q CA 1.796 57.514 55.803 -0.141 0.000 0.857 153 Q CB -1.168 27.583 28.738 0.021 0.000 0.926 153 Q HN 0.444 nan 8.270 nan 0.000 0.415 154 V N 0.776 120.590 119.914 -0.168 0.000 2.453 154 V HA -0.216 3.903 4.120 -0.001 0.000 0.252 154 V C 2.454 178.246 176.094 -0.503 0.000 1.068 154 V CA 1.540 63.649 62.300 -0.318 0.000 1.070 154 V CB -0.595 31.166 31.823 -0.103 0.000 0.664 154 V HN 0.117 nan 8.190 nan 0.000 0.461 155 V N 0.356 120.155 119.914 -0.192 0.000 2.379 155 V HA -0.139 3.980 4.120 -0.001 0.000 0.243 155 V C 2.556 178.604 176.094 -0.075 0.000 1.035 155 V CA 2.032 64.315 62.300 -0.027 0.000 1.035 155 V CB -1.034 30.867 31.823 0.131 0.000 0.673 155 V HN 0.753 nan 8.190 nan 0.000 0.457 156 T N -2.871 111.624 114.554 -0.098 0.000 3.163 156 T HA -0.099 4.250 4.350 -0.001 0.000 0.260 156 T C 1.533 176.088 174.700 -0.240 0.000 1.156 156 T CA 1.338 63.380 62.100 -0.095 0.000 1.072 156 T CB -0.395 68.385 68.868 -0.146 0.000 0.937 156 T HN 0.427 nan 8.240 nan 0.000 0.528 157 T N 1.428 115.701 114.554 -0.469 0.000 2.851 157 T HA 0.145 4.494 4.350 -0.001 0.000 0.262 157 T C 1.213 175.637 174.700 -0.460 0.000 1.043 157 T CA 1.014 62.775 62.100 -0.565 0.000 1.140 157 T CB -0.389 67.941 68.868 -0.897 0.000 0.872 157 T HN 0.590 nan 8.240 nan 0.000 0.446 158 F N -0.419 119.341 119.950 -0.316 0.000 2.270 158 F HA 0.156 4.682 4.527 -0.002 0.000 0.295 158 F C 0.582 176.017 175.800 -0.608 0.000 1.087 158 F CA 0.177 57.844 58.000 -0.556 0.000 1.365 158 F CB -0.089 38.290 39.000 -1.034 0.000 1.056 158 F HN 0.143 nan 8.300 nan 0.000 0.506 159 Y N 0.404 120.816 120.300 0.187 0.000 2.495 159 Y HA 0.467 5.016 4.550 -0.002 0.000 0.362 159 Y C 0.540 176.482 175.900 0.071 0.000 0.956 159 Y CA -1.120 57.062 58.100 0.136 0.000 1.127 159 Y CB 0.266 38.811 38.460 0.142 0.000 1.173 159 Y HN -0.084 nan 8.280 nan 0.000 0.639 160 G N 1.568 110.436 108.800 0.114 0.000 2.372 160 G HA2 0.598 4.557 3.960 -0.001 0.000 0.283 160 G HA3 0.598 4.557 3.960 -0.001 0.000 0.283 160 G C -0.300 174.648 174.900 0.080 0.000 1.177 160 G CA -0.327 44.804 45.100 0.053 0.000 0.842 160 G HN 0.387 nan 8.290 nan 0.000 0.503 161 I N 0.787 121.419 120.570 0.104 0.000 2.822 161 I HA 0.173 4.342 4.170 -0.001 0.000 0.312 161 I C 1.675 177.816 176.117 0.039 0.000 1.011 161 I CA -0.793 60.578 61.300 0.119 0.000 1.105 161 I CB 2.044 40.203 38.000 0.265 0.000 1.291 161 I HN 0.520 nan 8.210 nan 0.000 0.474 162 T N 1.780 116.246 114.554 -0.146 0.000 2.848 162 T HA -0.192 4.157 4.350 -0.001 0.000 0.269 162 T C 1.412 175.855 174.700 -0.428 0.000 1.081 162 T CA 1.749 63.622 62.100 -0.380 0.000 1.125 162 T CB -0.404 68.051 68.868 -0.689 0.000 0.848 162 T HN 0.413 nan 8.240 nan 0.000 0.503 163 F N 1.112 120.935 119.950 -0.211 0.000 2.202 163 F HA -0.000 4.526 4.527 -0.001 0.000 0.301 163 F C 2.067 177.951 175.800 0.140 0.000 1.082 163 F CA 0.676 58.658 58.000 -0.031 0.000 1.313 163 F CB -0.796 38.237 39.000 0.056 0.000 1.024 163 F HN 0.223 nan 8.300 nan 0.000 0.495 164 I N -0.968 119.733 120.570 0.218 0.000 2.277 164 I HA -0.148 4.021 4.170 -0.001 0.000 0.243 164 I C 2.487 178.680 176.117 0.127 0.000 1.094 164 I CA 0.699 62.065 61.300 0.111 0.000 1.393 164 I CB -0.520 37.395 38.000 -0.143 0.000 1.078 164 I HN -0.125 nan 8.210 nan 0.000 0.417 165 R N 1.091 121.631 120.500 0.067 0.000 2.113 165 R HA -0.185 4.154 4.340 -0.001 0.000 0.244 165 R C 0.730 177.186 176.300 0.261 0.000 1.142 165 R CA 1.153 57.309 56.100 0.092 0.000 0.953 165 R CB -0.557 29.747 30.300 0.006 0.000 0.860 165 R HN 0.222 nan 8.270 nan 0.000 0.438 169 V N 1.561 121.541 119.914 0.111 0.000 2.392 169 V HA -0.101 4.018 4.120 -0.001 0.000 0.249 169 V C 1.748 177.824 176.094 -0.029 0.000 1.059 169 V CA 1.899 64.192 62.300 -0.012 0.000 1.051 169 V CB -0.758 30.977 31.823 -0.146 0.000 0.658 169 V HN 0.316 nan 8.190 nan 0.000 0.455 170 F N 0.281 120.318 119.950 0.144 0.000 2.407 170 F HA 0.050 4.576 4.527 -0.002 0.000 0.299 170 F C 2.297 178.202 175.800 0.175 0.000 1.097 170 F CA 0.832 58.921 58.000 0.149 0.000 1.422 170 F CB -0.575 38.493 39.000 0.112 0.000 1.067 170 F HN 0.083 nan 8.300 nan 0.000 0.539 171 A N 0.094 123.105 122.820 0.318 0.000 1.845 171 A HA -0.182 4.137 4.320 -0.001 0.000 0.215 171 A C 2.375 180.092 177.584 0.223 0.000 1.195 171 A CA 2.103 54.302 52.037 0.270 0.000 0.616 171 A CB -1.155 17.976 19.000 0.218 0.000 0.832 171 A HN 0.307 nan 8.150 nan 0.000 0.443 172 S N 0.887 116.663 115.700 0.127 0.000 2.374 172 S HA -0.120 4.349 4.470 -0.001 0.000 0.227 172 S C -0.385 174.276 174.600 0.101 0.000 1.037 172 S CA 1.820 60.033 58.200 0.020 0.000 1.024 172 S CB -1.543 61.562 63.200 -0.157 0.000 0.861 172 S HN 0.512 nan 8.310 nan 0.000 0.456 173 P HA 0.062 nan 4.420 nan 0.000 0.216 173 P C 1.658 179.140 177.300 0.303 0.000 1.153 173 P CA 0.457 63.760 63.100 0.338 0.000 0.844 173 P CB -0.152 31.780 31.700 0.387 0.000 0.787 174 V N -0.209 119.895 119.914 0.317 0.000 2.392 174 V HA -0.216 3.903 4.120 -0.001 0.000 0.249 174 V C 2.341 178.608 176.094 0.287 0.000 1.059 174 V CA 1.639 64.132 62.300 0.321 0.000 1.051 174 V CB -1.038 31.052 31.823 0.444 0.000 0.658 174 V HN 0.095 nan 8.190 nan 0.000 0.455 175 L N -1.212 120.207 121.223 0.327 0.000 2.209 175 L HA -0.034 4.305 4.340 -0.001 0.000 0.207 175 L C 2.289 179.363 176.870 0.340 0.000 1.094 175 L CA 0.734 55.789 54.840 0.358 0.000 0.790 175 L CB -0.488 41.815 42.059 0.406 0.000 0.932 175 L HN 0.360 nan 8.230 nan 0.000 0.447 176 L N 0.547 121.975 121.223 0.341 0.000 2.201 176 L HA 0.108 4.447 4.340 -0.001 0.000 0.212 176 L C 1.569 178.487 176.870 0.079 0.000 1.105 176 L CA 0.841 55.778 54.840 0.162 0.000 0.775 176 L CB -0.812 41.427 42.059 0.300 0.000 0.913 176 L HN 0.075 nan 8.230 nan 0.000 0.440 180 V N 0.749 120.668 119.914 0.008 0.000 2.788 180 V HA 0.250 4.369 4.120 -0.001 0.000 0.241 180 V C 1.492 177.682 176.094 0.160 0.000 1.083 180 V CA 0.502 62.844 62.300 0.070 0.000 1.103 180 V CB -0.338 31.525 31.823 0.066 0.000 0.800 180 V HN 0.392 nan 8.190 nan 0.000 0.476 184 Y N 2.197 122.499 120.300 0.003 0.000 2.036 184 Y HA 0.004 4.553 4.550 -0.001 0.000 0.273 184 Y C 1.286 177.157 175.900 -0.049 0.000 1.135 184 Y CA 1.852 59.965 58.100 0.023 0.000 1.106 184 Y CB -0.381 38.146 38.460 0.112 0.000 0.976 184 Y HN 0.171 nan 8.280 nan 0.000 0.483 188 D N -0.027 120.239 120.400 -0.223 0.000 2.338 188 D HA 0.089 4.729 4.640 -0.001 0.000 0.208 188 D C 1.859 178.047 176.300 -0.186 0.000 0.997 188 D CA 1.312 55.148 54.000 -0.275 0.000 0.880 188 D CB 0.644 41.096 40.800 -0.580 0.000 0.980 188 D HN 0.239 nan 8.370 nan 0.000 0.509 189 G N -0.221 108.476 108.800 -0.172 0.000 2.576 189 G HA2 0.133 4.092 3.960 -0.001 0.000 0.210 189 G HA3 0.133 4.092 3.960 -0.001 0.000 0.210 189 G C 1.410 176.256 174.900 -0.090 0.000 1.143 189 G CA 0.483 45.509 45.100 -0.124 0.000 0.819 189 G HN 0.246 nan 8.290 nan 0.000 0.534 190 A N 0.305 123.073 122.820 -0.087 0.000 2.235 190 A HA 0.284 4.603 4.320 -0.001 0.000 0.208 190 A C 1.019 178.577 177.584 -0.044 0.000 1.172 190 A CA 1.001 53.001 52.037 -0.061 0.000 0.786 190 A CB -0.429 18.537 19.000 -0.056 0.000 0.804 190 A HN 0.322 nan 8.150 nan 0.000 0.479 191 D N -1.328 119.040 120.400 -0.052 0.000 2.701 191 D HA -0.127 4.512 4.640 -0.001 0.000 0.235 191 D C -0.491 175.799 176.300 -0.015 0.000 1.155 191 D CA 1.086 55.065 54.000 -0.036 0.000 0.649 191 D CB -1.249 39.534 40.800 -0.029 0.000 1.050 191 D HN 0.256 nan 8.370 nan 0.000 0.425 192 V N -0.170 119.739 119.914 -0.009 0.000 2.715 192 V HA 0.666 4.785 4.120 -0.001 0.000 0.310 192 V C 0.599 176.713 176.094 0.033 0.000 1.054 192 V CA -0.463 61.846 62.300 0.016 0.000 0.928 192 V CB 2.090 33.927 31.823 0.023 0.000 1.007 192 V HN 0.286 nan 8.190 nan 0.000 0.437 193 S N 2.743 118.471 115.700 0.046 0.000 2.541 193 S HA 0.462 4.931 4.470 -0.001 0.000 0.283 193 S C 0.832 175.484 174.600 0.088 0.000 1.196 193 S CA -0.578 57.658 58.200 0.059 0.000 1.062 193 S CB 1.386 64.613 63.200 0.046 0.000 1.009 193 S HN 0.649 nan 8.310 nan 0.000 0.502 194 L N 2.912 124.197 121.223 0.103 0.000 2.230 194 L HA -0.105 4.234 4.340 -0.001 0.000 0.217 194 L C 2.299 179.241 176.870 0.121 0.000 1.090 194 L CA 2.310 57.231 54.840 0.135 0.000 0.771 194 L CB -0.819 41.275 42.059 0.059 0.000 0.892 194 L HN 1.029 nan 8.230 nan 0.000 0.438 195 G N -1.862 106.985 108.800 0.079 0.000 2.408 195 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.215 195 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.215 195 G C 1.381 176.328 174.900 0.079 0.000 1.156 195 G CA 0.528 45.666 45.100 0.064 0.000 0.793 195 G HN 0.483 nan 8.290 nan 0.000 0.535 196 E N -0.013 120.233 120.200 0.077 0.000 2.072 196 E HA 0.030 4.379 4.350 -0.001 0.000 0.191 196 E C 1.322 177.989 176.600 0.110 0.000 0.985 196 E CA -0.004 56.443 56.400 0.078 0.000 0.801 196 E CB -0.061 29.674 29.700 0.058 0.000 0.750 196 E HN 0.200 nan 8.360 nan 0.000 0.452 202 G N -0.994 107.805 108.800 -0.002 0.000 2.171 202 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.238 202 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.238 202 G C 0.307 175.191 174.900 -0.026 0.000 1.039 202 G CA 0.944 46.021 45.100 -0.039 0.000 0.759 202 G HN 0.949 nan 8.290 nan 0.000 0.501 203 E N 0.509 120.696 120.200 -0.020 0.000 2.338 203 E HA 0.361 4.711 4.350 -0.001 0.000 0.231 203 E C 0.587 177.170 176.600 -0.028 0.000 1.231 203 E CA -0.162 56.230 56.400 -0.013 0.000 1.490 203 E CB -0.669 29.032 29.700 0.001 0.000 1.360 203 E HN 0.594 nan 8.360 nan 0.000 0.435 204 N N 0.246 118.913 118.700 -0.056 0.000 3.444 204 N HA 0.026 4.765 4.740 -0.001 0.000 0.148 204 N C -2.733 172.710 175.510 -0.112 0.000 1.071 204 N CA -0.649 52.362 53.050 -0.064 0.000 2.391 204 N CB 0.379 38.836 38.487 -0.050 0.000 1.507 204 N HN 0.020 nan 8.380 nan 0.000 0.732 205 P HA 0.312 nan 4.420 nan 0.000 0.270 205 P C 0.384 177.602 177.300 -0.137 0.000 1.221 205 P CA 0.749 63.734 63.100 -0.191 0.000 0.788 205 P CB 1.031 32.663 31.700 -0.114 0.000 0.904 209 F N 2.041 122.081 119.950 0.151 0.000 2.293 209 F HA -0.162 4.364 4.527 -0.001 0.000 0.300 209 F C 2.372 178.131 175.800 -0.069 0.000 1.086 209 F CA 2.043 59.947 58.000 -0.160 0.000 1.375 209 F CB -0.056 38.766 39.000 -0.297 0.000 1.045 209 F HN 0.389 nan 8.300 nan 0.000 0.516 210 S N -1.766 113.963 115.700 0.049 0.000 2.387 210 S HA -0.242 4.227 4.470 -0.001 0.000 0.230 210 S C 1.991 176.535 174.600 -0.093 0.000 1.035 210 S CA 1.957 60.141 58.200 -0.028 0.000 1.014 210 S CB -1.240 61.974 63.200 0.023 0.000 0.836 210 S HN 0.383 nan 8.310 nan 0.000 0.466 211 T N 1.734 116.252 114.554 -0.061 0.000 3.043 211 T HA 0.354 4.703 4.350 -0.001 0.000 0.263 211 T C 2.013 176.631 174.700 -0.138 0.000 1.094 211 T CA 0.772 62.815 62.100 -0.095 0.000 1.127 211 T CB -0.420 68.406 68.868 -0.072 0.000 0.905 211 T HN 0.593 nan 8.240 nan 0.000 0.490 212 A N 0.817 123.534 122.820 -0.171 0.000 2.066 212 A HA 0.203 4.522 4.320 -0.001 0.000 0.218 212 A C 1.114 178.525 177.584 -0.289 0.000 1.157 212 A CA 0.562 52.456 52.037 -0.238 0.000 0.670 212 A CB -0.389 18.356 19.000 -0.425 0.000 0.804 212 A HN 0.501 nan 8.150 nan 0.000 0.453 216 F N 1.828 121.697 119.950 -0.136 0.000 2.333 216 F HA -0.108 4.418 4.527 -0.001 0.000 0.300 216 F C 2.304 178.094 175.800 -0.016 0.000 1.083 216 F CA 1.166 59.117 58.000 -0.082 0.000 1.395 216 F CB -0.588 38.415 39.000 0.006 0.000 1.056 216 F HN -0.109 nan 8.300 nan 0.000 0.529 217 V N 0.308 120.238 119.914 0.026 0.000 2.214 217 V HA -0.268 3.851 4.120 -0.001 0.000 0.244 217 V C 2.686 178.692 176.094 -0.147 0.000 1.045 217 V CA 2.234 64.453 62.300 -0.134 0.000 0.993 217 V CB -1.463 30.033 31.823 -0.545 0.000 0.633 217 V HN 0.412 nan 8.190 nan 0.000 0.449 218 G N -0.614 108.040 108.800 -0.243 0.000 2.564 218 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.216 218 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.216 218 G C 1.391 176.226 174.900 -0.107 0.000 1.124 218 G CA 0.930 45.941 45.100 -0.147 0.000 0.764 218 G HN 0.651 nan 8.290 nan 0.000 0.550 219 G N -0.284 108.393 108.800 -0.206 0.000 2.408 219 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.215 219 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.215 219 G C 1.445 176.089 174.900 -0.427 0.000 1.156 219 G CA 0.262 45.128 45.100 -0.390 0.000 0.793 219 G HN 0.542 nan 8.290 nan 0.000 0.535 220 W N 0.157 121.441 121.300 -0.026 0.000 2.576 220 W HA 0.266 4.926 4.660 -0.001 0.000 0.275 220 W C 2.211 178.753 176.519 0.039 0.000 1.241 220 W CA -0.860 56.501 57.345 0.027 0.000 1.328 220 W CB 0.055 29.576 29.460 0.101 0.000 1.092 220 W HN -0.065 nan 8.180 nan 0.000 0.586 221 I N 1.323 122.024 120.570 0.218 0.000 2.161 221 I HA -0.439 3.730 4.170 -0.001 0.000 0.246 221 I C 2.439 178.652 176.117 0.160 0.000 1.048 221 I CA 2.209 63.618 61.300 0.180 0.000 1.314 221 I CB -1.746 36.344 38.000 0.151 0.000 1.014 221 I HN 0.050 nan 8.210 nan 0.000 0.418 222 A N 0.045 122.950 122.820 0.141 0.000 1.883 222 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 222 A C 2.495 180.139 177.584 0.101 0.000 1.186 222 A CA 2.299 54.411 52.037 0.126 0.000 0.624 222 A CB -1.032 18.064 19.000 0.160 0.000 0.822 222 A HN 0.289 nan 8.150 nan 0.000 0.444 223 V N -0.761 119.236 119.914 0.138 0.000 2.427 223 V HA -0.185 3.934 4.120 -0.001 0.000 0.248 223 V C 2.521 178.700 176.094 0.141 0.000 1.051 223 V CA 1.786 64.162 62.300 0.126 0.000 1.048 223 V CB -0.506 31.418 31.823 0.167 0.000 0.666 223 V HN 0.368 nan 8.190 nan 0.000 0.456 224 V N -0.651 119.383 119.914 0.201 0.000 2.283 224 V HA -0.173 3.946 4.120 -0.001 0.000 0.243 224 V C 2.425 178.554 176.094 0.058 0.000 1.039 224 V CA 1.728 64.132 62.300 0.173 0.000 1.016 224 V CB -0.083 31.861 31.823 0.202 0.000 0.650 224 V HN 0.366 nan 8.190 nan 0.000 0.449 225 V N 0.895 120.823 119.914 0.023 0.000 2.380 225 V HA -0.172 3.947 4.120 -0.001 0.000 0.251 225 V C 1.725 177.652 176.094 -0.277 0.000 1.063 225 V CA 2.192 64.443 62.300 -0.081 0.000 1.055 225 V CB -0.427 31.346 31.823 -0.084 0.000 0.657 225 V HN 0.718 nan 8.190 nan 0.000 0.455 226 S N -0.535 114.984 115.700 -0.302 0.000 2.438 226 S HA 0.256 4.725 4.470 -0.001 0.000 0.227 226 S C 0.750 175.347 174.600 -0.006 0.000 1.265 226 S CA -0.485 57.521 58.200 -0.324 0.000 1.265 226 S CB -0.055 62.898 63.200 -0.412 0.000 0.987 226 S HN 0.389 nan 8.310 nan 0.000 0.502 227 I N -0.903 119.654 120.570 -0.021 0.000 2.761 227 I HA 0.116 4.285 4.170 -0.001 0.000 0.261 227 I C 1.879 177.997 176.117 0.003 0.000 1.198 227 I CA 0.740 62.037 61.300 -0.005 0.000 1.482 227 I CB -1.645 36.358 38.000 0.005 0.000 1.100 227 I HN 0.358 nan 8.210 nan 0.000 0.445 228 H N 1.673 120.761 119.070 0.029 0.000 2.478 228 H HA -0.201 4.354 4.556 -0.001 0.000 0.294 228 H C 1.533 176.894 175.328 0.055 0.000 1.125 228 H CA 2.089 58.171 56.048 0.057 0.000 1.225 228 H CB -0.528 29.311 29.762 0.129 0.000 1.360 228 H HN 0.435 nan 8.280 nan 0.000 0.519 229 D N -0.317 120.191 120.400 0.181 0.000 2.194 229 D HA -0.029 4.610 4.640 -0.001 0.000 0.204 229 D C 1.971 178.300 176.300 0.049 0.000 0.964 229 D CA 0.955 55.023 54.000 0.114 0.000 0.846 229 D CB 0.195 41.065 40.800 0.116 0.000 0.962 229 D HN 0.479 nan 8.370 nan 0.000 0.490 230 I N -0.101 120.485 120.570 0.028 0.000 3.081 230 I HA -0.068 4.101 4.170 -0.001 0.000 0.274 230 I C 2.314 178.429 176.117 -0.003 0.000 1.178 230 I CA 0.168 61.471 61.300 0.006 0.000 1.460 230 I CB -0.046 37.947 38.000 -0.011 0.000 1.137 230 I HN -0.216 nan 8.210 nan 0.000 0.443 231 V N 2.717 122.622 119.914 -0.015 0.000 2.380 231 V HA -0.262 3.857 4.120 -0.001 0.000 0.251 231 V C 1.811 177.862 176.094 -0.070 0.000 1.063 231 V CA 1.990 64.246 62.300 -0.073 0.000 1.055 231 V CB -0.906 30.853 31.823 -0.106 0.000 0.657 231 V HN 0.556 nan 8.190 nan 0.000 0.455 232 K N 0.860 121.253 120.400 -0.013 0.000 3.277 232 K HA 0.033 4.352 4.320 -0.001 0.000 0.291 232 K C 0.263 176.860 176.600 -0.006 0.000 0.994 232 K CA 0.778 57.065 56.287 0.000 0.000 1.147 232 K CB -0.346 32.176 32.500 0.036 0.000 1.185 232 K HN 0.492 nan 8.250 nan 0.000 0.422 233 E N -0.054 120.135 120.200 -0.018 0.000 3.068 233 E HA 0.108 4.457 4.350 -0.001 0.000 0.156 233 E C -1.246 175.358 176.600 0.006 0.000 0.914 233 E CA -0.463 55.938 56.400 0.002 0.000 1.393 233 E CB 0.462 30.170 29.700 0.013 0.000 1.016 233 E HN 0.377 nan 8.360 nan 0.000 0.434 234 C N 2.196 121.469 119.300 -0.046 0.000 2.285 234 C HA 0.286 4.745 4.460 -0.001 0.000 0.335 234 C C 0.550 175.560 174.990 0.033 0.000 1.267 234 C CA -0.951 58.028 59.018 -0.065 0.000 1.762 234 C CB -0.100 27.378 27.740 -0.436 0.000 2.365 234 C HN 0.260 nan 8.230 nan 0.000 0.527 235 K N 2.064 122.552 120.400 0.147 0.000 2.404 235 K HA 0.149 4.468 4.320 -0.001 0.000 0.271 235 K C -0.167 176.532 176.600 0.164 0.000 1.130 235 K CA 0.368 56.748 56.287 0.156 0.000 1.181 235 K CB 0.105 32.703 32.500 0.163 0.000 0.840 235 K HN 0.540 nan 8.250 nan 0.000 0.483 236 V N 2.569 122.552 119.914 0.115 0.000 2.914 236 V HA 0.197 4.316 4.120 -0.001 0.000 0.314 236 V C -1.270 174.831 176.094 0.011 0.000 1.084 236 V CA -0.902 61.443 62.300 0.075 0.000 0.963 236 V CB 2.335 34.180 31.823 0.037 0.000 1.025 236 V HN 0.702 nan 8.190 nan 0.000 0.432 237 D N 5.652 126.023 120.400 -0.049 0.000 2.317 237 D HA 0.491 5.130 4.640 -0.001 0.000 0.234 237 D C -1.414 174.746 176.300 -0.233 0.000 1.112 237 D CA -1.855 52.070 54.000 -0.125 0.000 0.840 237 D CB 2.057 42.809 40.800 -0.080 0.000 1.078 237 D HN 0.367 nan 8.370 nan 0.000 0.486 238 P HA -0.077 nan 4.420 nan 0.000 0.220 238 P C -0.210 176.934 177.300 -0.261 0.000 1.148 238 P CA 0.634 63.414 63.100 -0.534 0.000 0.803 238 P CB 0.392 31.578 31.700 -0.856 0.000 0.782 239 N N 0.075 118.659 118.700 -0.193 0.000 2.635 239 N HA 0.376 5.115 4.740 -0.001 0.000 0.307 239 N C -0.122 175.336 175.510 -0.087 0.000 1.433 239 N CA -0.116 52.864 53.050 -0.117 0.000 0.973 239 N CB 0.671 39.101 38.487 -0.095 0.000 1.304 239 N HN 0.126 nan 8.380 nan 0.000 0.507 240 A N -0.245 122.521 122.820 -0.090 0.000 2.386 240 A HA 0.812 5.131 4.320 -0.001 0.000 0.308 240 A C 0.526 178.075 177.584 -0.058 0.000 1.128 240 A CA -0.462 51.536 52.037 -0.064 0.000 0.789 240 A CB 1.145 20.109 19.000 -0.060 0.000 1.325 240 A HN 0.234 nan 8.150 nan 0.000 0.437 241 S N 0.049 115.725 115.700 -0.040 0.000 2.638 241 S HA 0.411 4.880 4.470 -0.001 0.000 0.256 241 S C 0.780 175.363 174.600 -0.027 0.000 1.089 241 S CA -0.612 57.570 58.200 -0.031 0.000 1.020 241 S CB 0.185 63.373 63.200 -0.020 0.000 1.252 241 S HN 0.539 nan 8.310 nan 0.000 0.542 242 R N 1.302 121.792 120.500 -0.016 0.000 2.189 242 R HA 0.137 4.476 4.340 -0.001 0.000 0.218 242 R C 1.708 178.007 176.300 -0.001 0.000 1.074 242 R CA 0.937 57.031 56.100 -0.010 0.000 0.991 242 R CB -0.686 29.612 30.300 -0.004 0.000 0.883 242 R HN 0.669 nan 8.270 nan 0.000 0.457 243 E N -0.542 119.656 120.200 -0.003 0.000 2.057 243 E HA 0.033 4.382 4.350 -0.001 0.000 0.191 243 E C 2.070 178.670 176.600 0.001 0.000 0.959 243 E CA 0.998 57.399 56.400 0.003 0.000 0.828 243 E CB -0.632 29.067 29.700 -0.001 0.000 0.800 243 E HN 0.284 nan 8.360 nan 0.000 0.460 244 G N 1.292 110.085 108.800 -0.010 0.000 2.499 244 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.221 244 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.221 244 G C 1.593 176.485 174.900 -0.014 0.000 1.109 244 G CA 1.010 46.102 45.100 -0.014 0.000 0.749 244 G HN 0.149 nan 8.290 nan 0.000 0.568 245 Q N -0.792 118.996 119.800 -0.019 0.000 2.378 245 Q HA 0.158 4.497 4.340 -0.001 0.000 0.216 245 Q C 2.237 178.231 176.000 -0.011 0.000 0.892 245 Q CA 0.841 56.627 55.803 -0.028 0.000 0.931 245 Q CB 0.178 28.877 28.738 -0.065 0.000 1.086 245 Q HN 0.274 nan 8.270 nan 0.000 0.528 246 T N 0.103 114.665 114.554 0.014 0.000 3.081 246 T HA 0.083 4.432 4.350 -0.001 0.000 0.255 246 T C 1.154 175.905 174.700 0.084 0.000 1.113 246 T CA 0.298 62.434 62.100 0.059 0.000 1.082 246 T CB 0.191 69.108 68.868 0.081 0.000 0.939 246 T HN 0.044 nan 8.240 nan 0.000 0.506 247 K N 1.442 121.871 120.400 0.049 0.000 2.211 247 K HA 0.326 4.646 4.320 -0.001 0.000 0.201 247 K C 2.327 178.951 176.600 0.039 0.000 1.052 247 K CA 0.583 56.897 56.287 0.045 0.000 0.973 247 K CB -0.291 32.221 32.500 0.019 0.000 0.766 247 K HN 0.288 nan 8.250 nan 0.000 0.466 248 A N 1.260 124.104 122.820 0.040 0.000 2.067 248 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 248 A C 1.604 179.282 177.584 0.157 0.000 1.156 248 A CA 1.351 53.435 52.037 0.078 0.000 0.683 248 A CB -0.211 18.856 19.000 0.112 0.000 0.808 248 A HN 0.114 nan 8.150 nan 0.000 0.455 249 D N 0.233 120.660 120.400 0.046 0.000 2.097 249 D HA -0.016 4.623 4.640 -0.001 0.000 0.197 249 D C 2.168 178.441 176.300 -0.045 0.000 0.984 249 D CA 1.682 55.613 54.000 -0.116 0.000 0.826 249 D CB -0.190 40.389 40.800 -0.370 0.000 0.973 249 D HN 0.376 nan 8.370 nan 0.000 0.460 250 A N 0.037 122.954 122.820 0.163 0.000 2.067 250 A HA -0.044 4.275 4.320 -0.001 0.000 0.217 250 A C 2.077 179.739 177.584 0.130 0.000 1.156 250 A CA 0.861 53.079 52.037 0.301 0.000 0.683 250 A CB -0.318 18.873 19.000 0.318 0.000 0.808 250 A HN 0.087 nan 8.150 nan 0.000 0.455 251 R N -1.668 118.864 120.500 0.053 0.000 2.081 251 R HA -0.158 4.181 4.340 -0.001 0.000 0.235 251 R C 1.679 177.914 176.300 -0.110 0.000 1.131 251 R CA 1.875 57.938 56.100 -0.061 0.000 0.960 251 R CB -0.350 29.862 30.300 -0.148 0.000 0.856 251 R HN 0.610 nan 8.270 nan 0.000 0.436 252 Y N -0.373 119.935 120.300 0.015 0.000 2.206 252 Y HA 0.046 4.595 4.550 -0.001 0.000 0.292 252 Y C 2.423 178.329 175.900 0.010 0.000 1.123 252 Y CA 0.928 59.036 58.100 0.012 0.000 1.142 252 Y CB -0.239 38.217 38.460 -0.006 0.000 1.006 252 Y HN 0.191 nan 8.280 nan 0.000 0.518 253 A N -0.921 122.013 122.820 0.190 0.000 2.084 253 A HA -0.212 4.107 4.320 -0.001 0.000 0.221 253 A C 2.051 179.704 177.584 0.115 0.000 1.161 253 A CA 2.407 54.543 52.037 0.165 0.000 0.653 253 A CB -0.927 18.284 19.000 0.351 0.000 0.802 253 A HN 0.423 nan 8.150 nan 0.000 0.457 254 T N -1.521 113.087 114.554 0.090 0.000 2.990 254 T HA 0.358 4.707 4.350 -0.001 0.000 0.250 254 T C 1.972 176.711 174.700 0.065 0.000 1.041 254 T CA 0.552 62.689 62.100 0.062 0.000 1.010 254 T CB 0.084 68.950 68.868 -0.003 0.000 1.003 254 T HN 0.530 nan 8.240 nan 0.000 0.499 255 A N 1.279 124.123 122.820 0.039 0.000 2.070 255 A HA -0.114 4.205 4.320 -0.001 0.000 0.220 255 A C 2.128 179.723 177.584 0.017 0.000 1.159 255 A CA 1.297 53.350 52.037 0.026 0.000 0.656 255 A CB -0.335 18.676 19.000 0.019 0.000 0.800 255 A HN 0.507 nan 8.150 nan 0.000 0.453 256 Q N -2.706 117.068 119.800 -0.043 0.000 2.226 256 Q HA -0.078 4.261 4.340 -0.001 0.000 0.199 256 Q C 1.783 177.545 176.000 -0.397 0.000 0.945 256 Q CA 0.819 56.428 55.803 -0.323 0.000 0.861 256 Q CB -0.179 28.215 28.738 -0.574 0.000 0.953 256 Q HN 0.876 nan 8.270 nan 0.000 0.490 257 W N 0.918 121.994 121.300 -0.374 0.000 2.611 257 W HA -0.035 4.624 4.660 -0.001 0.000 0.251 257 W C 0.570 176.967 176.519 -0.203 0.000 1.265 257 W CA 0.874 58.029 57.345 -0.317 0.000 1.295 257 W CB 0.343 29.673 29.460 -0.217 0.000 1.129 257 W HN 0.029 nan 8.180 nan 0.000 0.630 258 L N 0.252 121.524 121.223 0.082 0.000 2.741 258 L HA 0.399 4.738 4.340 -0.001 0.000 0.237 258 L C 1.079 177.905 176.870 -0.073 0.000 1.178 258 L CA -0.130 54.734 54.840 0.039 0.000 0.973 258 L CB -0.720 41.405 42.059 0.110 0.000 1.255 258 L HN -0.065 nan 8.230 nan 0.000 0.498 262 P HA -0.086 nan 4.420 nan 0.000 0.212 262 P C 1.685 178.992 177.300 0.010 0.000 1.180 262 P CA 2.478 65.506 63.100 -0.119 0.000 0.902 262 P CB 0.043 31.707 31.700 -0.060 0.000 0.778 263 A N 0.755 123.641 122.820 0.109 0.000 1.902 263 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 263 A C 2.306 179.993 177.584 0.173 0.000 1.181 263 A CA 2.498 54.656 52.037 0.202 0.000 0.623 263 A CB -1.558 17.568 19.000 0.209 0.000 0.818 263 A HN 0.411 nan 8.150 nan 0.000 0.443 264 S N -1.284 114.488 115.700 0.121 0.000 2.710 264 S HA 0.291 4.760 4.470 -0.001 0.000 0.224 264 S C 1.084 175.745 174.600 0.103 0.000 0.948 264 S CA 0.028 58.335 58.200 0.178 0.000 0.949 264 S CB -0.383 62.993 63.200 0.294 0.000 0.778 264 S HN 0.436 nan 8.310 nan 0.000 0.498 265 I N 0.297 120.899 120.570 0.054 0.000 3.941 265 I HA 0.217 4.386 4.170 -0.001 0.000 0.321 265 I C 1.478 177.657 176.117 0.104 0.000 1.284 265 I CA 0.299 61.620 61.300 0.035 0.000 1.226 265 I CB 0.120 38.108 38.000 -0.020 0.000 1.045 265 I HN 0.379 nan 8.210 nan 0.000 0.420 266 I N -0.230 120.411 120.570 0.118 0.000 2.429 266 I HA -0.152 4.017 4.170 -0.001 0.000 0.247 266 I C 2.079 178.236 176.117 0.067 0.000 1.099 266 I CA 1.203 62.564 61.300 0.102 0.000 1.422 266 I CB -0.191 37.842 38.000 0.055 0.000 1.112 266 I HN -0.000 nan 8.210 nan 0.000 0.430 267 F N 1.348 121.302 119.950 0.007 0.000 2.325 267 F HA -0.006 4.520 4.527 -0.002 0.000 0.299 267 F C 2.453 178.254 175.800 0.001 0.000 1.090 267 F CA 1.203 59.131 58.000 -0.120 0.000 1.392 267 F CB -0.593 38.280 39.000 -0.212 0.000 1.053 267 F HN -0.002 nan 8.300 nan 0.000 0.521 268 G N -0.439 108.511 108.800 0.250 0.000 2.418 268 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.217 268 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.217 268 G C 1.556 176.607 174.900 0.252 0.000 1.158 268 G CA 0.720 45.964 45.100 0.241 0.000 0.771 268 G HN 0.334 nan 8.290 nan 0.000 0.545 269 F N 2.391 122.399 119.950 0.097 0.000 2.037 269 F HA 0.005 4.532 4.527 -0.001 0.000 0.291 269 F C 2.651 178.525 175.800 0.122 0.000 1.137 269 F CA 1.560 59.617 58.000 0.096 0.000 1.178 269 F CB -0.510 38.525 39.000 0.059 0.000 0.995 269 F HN 0.177 nan 8.300 nan 0.000 0.472 270 I N -0.908 119.724 120.570 0.103 0.000 2.597 270 I HA -0.145 4.024 4.170 -0.001 0.000 0.262 270 I C 2.016 178.271 176.117 0.230 0.000 1.194 270 I CA 1.706 63.023 61.300 0.028 0.000 1.437 270 I CB -1.568 36.437 38.000 0.008 0.000 1.096 270 I HN 0.291 nan 8.210 nan 0.000 0.451 271 G N 0.601 109.610 108.800 0.349 0.000 2.539 271 G HA2 0.200 4.159 3.960 -0.001 0.000 0.215 271 G HA3 0.200 4.159 3.960 -0.001 0.000 0.215 271 G C 1.651 176.689 174.900 0.229 0.000 1.141 271 G CA 0.497 45.962 45.100 0.608 0.000 0.806 271 G HN 0.554 nan 8.290 nan 0.000 0.533 272 A N 0.467 123.334 122.820 0.078 0.000 2.178 272 A HA 0.637 4.956 4.320 -0.001 0.000 0.211 272 A C 2.418 179.920 177.584 -0.138 0.000 1.157 272 A CA 1.406 53.447 52.037 0.008 0.000 0.780 272 A CB -0.137 18.884 19.000 0.035 0.000 0.828 272 A HN 0.483 nan 8.150 nan 0.000 0.476 273 A N -0.542 122.100 122.820 -0.296 0.000 1.943 273 A HA 0.288 4.607 4.320 -0.001 0.000 0.213 273 A C 1.635 179.122 177.584 -0.161 0.000 1.181 273 A CA 0.848 52.677 52.037 -0.345 0.000 0.653 273 A CB -0.406 18.236 19.000 -0.596 0.000 0.833 273 A HN 0.359 nan 8.150 nan 0.000 0.451 277 L N -1.510 119.681 121.223 -0.053 0.000 3.154 277 L HA 0.488 4.827 4.340 -0.001 0.000 0.280 277 L C 1.206 178.030 176.870 -0.077 0.000 1.134 277 L CA 1.486 56.289 54.840 -0.062 0.000 1.037 277 L CB 1.553 43.567 42.059 -0.074 0.000 1.571 277 L HN 0.056 nan 8.230 nan 0.000 0.576 278 V N -1.288 118.572 119.914 -0.089 0.000 2.840 278 V HA 0.551 4.670 4.120 -0.001 0.000 0.234 278 V C 1.509 177.544 176.094 -0.098 0.000 1.159 278 V CA 0.973 63.209 62.300 -0.107 0.000 1.194 278 V CB 0.864 32.601 31.823 -0.142 0.000 0.971 278 V HN 0.400 nan 8.190 nan 0.000 0.494 279 G N 0.074 108.818 108.800 -0.095 0.000 2.260 279 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.179 279 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.179 279 G C -0.109 174.708 174.900 -0.138 0.000 1.002 279 G CA -0.226 44.823 45.100 -0.085 0.000 0.677 279 G HN 0.389 nan 8.290 nan 0.000 0.486 280 E N 1.239 121.318 120.200 -0.202 0.000 2.114 280 E HA 0.270 4.620 4.350 -0.001 0.000 0.266 280 E C 1.070 177.488 176.600 -0.303 0.000 0.896 280 E CA -0.753 55.424 56.400 -0.371 0.000 0.750 280 E CB 0.240 29.712 29.700 -0.379 0.000 1.121 280 E HN 0.611 nan 8.360 nan 0.000 0.413 281 W N 2.155 123.417 121.300 -0.064 0.000 2.519 281 W HA 0.040 4.698 4.660 -0.002 0.000 0.266 281 W C 0.439 176.898 176.519 -0.100 0.000 1.253 281 W CA -0.358 56.953 57.345 -0.058 0.000 1.274 281 W CB -0.245 29.234 29.460 0.032 0.000 1.114 281 W HN 0.269 nan 8.180 nan 0.000 0.596 282 N N 3.599 121.999 118.700 -0.501 0.000 2.416 282 N HA 0.048 4.788 4.740 -0.001 0.000 0.271 282 N C -1.693 173.635 175.510 -0.303 0.000 1.245 282 N CA -1.386 51.457 53.050 -0.344 0.000 0.940 282 N CB 1.137 39.174 38.487 -0.749 0.000 1.175 282 N HN -0.179 nan 8.380 nan 0.000 0.483 283 P HA -0.198 nan 4.420 nan 0.000 0.208 283 P C 1.511 178.683 177.300 -0.214 0.000 1.180 283 P CA 0.994 63.889 63.100 -0.341 0.000 0.935 283 P CB 0.167 31.860 31.700 -0.012 0.000 0.785 284 V N -0.684 119.135 119.914 -0.158 0.000 2.363 284 V HA -0.282 3.838 4.120 -0.001 0.000 0.254 284 V C 2.399 178.363 176.094 -0.218 0.000 1.074 284 V CA 1.812 64.003 62.300 -0.182 0.000 1.069 284 V CB -1.085 30.574 31.823 -0.272 0.000 0.659 284 V HN 0.109 nan 8.190 nan 0.000 0.455 285 I N -0.355 120.053 120.570 -0.270 0.000 2.235 285 I HA -0.118 4.051 4.170 -0.001 0.000 0.241 285 I C 2.519 178.486 176.117 -0.250 0.000 1.085 285 I CA 1.259 62.397 61.300 -0.271 0.000 1.378 285 I CB -0.480 37.326 38.000 -0.324 0.000 1.076 285 I HN 0.294 nan 8.210 nan 0.000 0.415 286 A N 0.496 123.148 122.820 -0.281 0.000 2.178 286 A HA -0.109 4.210 4.320 -0.001 0.000 0.218 286 A C 2.139 179.587 177.584 -0.228 0.000 1.157 286 A CA 1.197 53.080 52.037 -0.258 0.000 0.689 286 A CB -0.634 18.190 19.000 -0.293 0.000 0.787 286 A HN 0.410 nan 8.150 nan 0.000 0.465 287 I N -1.083 119.362 120.570 -0.208 0.000 2.270 287 I HA -0.138 4.031 4.170 -0.001 0.000 0.239 287 I C 2.553 178.558 176.117 -0.186 0.000 1.080 287 I CA 1.547 62.734 61.300 -0.188 0.000 1.383 287 I CB -0.639 37.302 38.000 -0.099 0.000 1.097 287 I HN 0.226 nan 8.210 nan 0.000 0.420 288 T N -0.003 114.467 114.554 -0.142 0.000 2.699 288 T HA -0.263 4.087 4.350 -0.001 0.000 0.268 288 T C 1.755 176.376 174.700 -0.131 0.000 1.036 288 T CA 1.565 63.597 62.100 -0.113 0.000 1.147 288 T CB -0.334 68.460 68.868 -0.124 0.000 0.862 288 T HN 0.375 nan 8.240 nan 0.000 0.446 289 E N 0.247 120.353 120.200 -0.157 0.000 2.106 289 E HA -0.094 4.255 4.350 -0.001 0.000 0.192 289 E C 2.144 178.649 176.600 -0.158 0.000 0.984 289 E CA 0.795 57.104 56.400 -0.150 0.000 0.806 289 E CB 0.063 29.666 29.700 -0.162 0.000 0.750 289 E HN 0.321 nan 8.360 nan 0.000 0.458 290 V N 0.583 120.379 119.914 -0.196 0.000 2.379 290 V HA -0.155 3.965 4.120 -0.001 0.000 0.243 290 V C 2.429 178.376 176.094 -0.244 0.000 1.035 290 V CA 1.413 63.580 62.300 -0.223 0.000 1.035 290 V CB 0.340 32.006 31.823 -0.262 0.000 0.673 290 V HN 0.352 nan 8.190 nan 0.000 0.457 291 V N -1.079 118.653 119.914 -0.302 0.000 2.951 291 V HA 0.202 4.321 4.120 -0.001 0.000 0.255 291 V C 2.098 178.147 176.094 -0.075 0.000 1.088 291 V CA 1.748 63.878 62.300 -0.283 0.000 1.109 291 V CB -0.860 30.568 31.823 -0.657 0.000 0.724 291 V HN 0.401 nan 8.190 nan 0.000 0.471 292 G N 0.461 109.218 108.800 -0.071 0.000 2.777 292 G HA2 0.179 4.138 3.960 -0.001 0.000 0.211 292 G HA3 0.179 4.138 3.960 -0.001 0.000 0.211 292 G C 1.233 176.106 174.900 -0.045 0.000 1.149 292 G CA 0.470 45.553 45.100 -0.029 0.000 0.785 292 G HN 0.741 nan 8.290 nan 0.000 0.536 293 G N -0.245 108.511 108.800 -0.073 0.000 3.379 293 G HA2 0.355 4.315 3.960 -0.001 0.000 0.253 293 G HA3 0.355 4.315 3.960 -0.001 0.000 0.253 293 G C 0.518 175.382 174.900 -0.060 0.000 1.262 293 G CA 0.601 45.660 45.100 -0.070 0.000 0.959 293 G HN 0.267 nan 8.290 nan 0.000 0.524 294 V N -0.883 119.009 119.914 -0.036 0.000 3.062 294 V HA 0.202 4.321 4.120 -0.001 0.000 0.231 294 V C 0.308 176.422 176.094 0.034 0.000 1.632 294 V CA 0.599 62.895 62.300 -0.008 0.000 1.115 294 V CB 0.611 32.423 31.823 -0.017 0.000 1.041 294 V HN 0.495 nan 8.190 nan 0.000 0.443 295 S N -0.062 115.668 115.700 0.051 0.000 2.545 295 S HA 0.521 4.990 4.470 -0.001 0.000 0.259 295 S C -0.250 174.402 174.600 0.088 0.000 1.092 295 S CA -0.464 57.785 58.200 0.082 0.000 1.054 295 S CB 0.543 63.826 63.200 0.139 0.000 1.146 295 S HN 0.243 nan 8.310 nan 0.000 0.447 296 I N 1.524 122.123 120.570 0.048 0.000 3.684 296 I HA 0.147 4.317 4.170 -0.001 0.000 0.304 296 I C -1.471 174.669 176.117 0.037 0.000 1.278 296 I CA -1.076 60.246 61.300 0.038 0.000 1.272 296 I CB -0.918 37.086 38.000 0.006 0.000 1.029 296 I HN 0.421 nan 8.210 nan 0.000 0.458 300 I N 0.599 121.226 120.570 0.096 0.000 2.867 300 I HA 0.012 4.181 4.170 -0.001 0.000 0.265 300 I C 1.878 178.012 176.117 0.029 0.000 1.162 300 I CA 0.877 62.193 61.300 0.026 0.000 1.471 300 I CB 0.063 38.058 38.000 -0.009 0.000 1.123 300 I HN 0.300 nan 8.210 nan 0.000 0.440 301 L N -0.579 120.643 121.223 -0.002 0.000 2.313 301 L HA -0.053 4.286 4.340 -0.001 0.000 0.214 301 L C 1.990 178.830 176.870 -0.050 0.000 1.119 301 L CA 1.006 55.822 54.840 -0.040 0.000 0.809 301 L CB -0.398 41.554 42.059 -0.178 0.000 0.933 301 L HN 0.148 nan 8.230 nan 0.000 0.449 302 F N -0.493 119.499 119.950 0.070 0.000 2.512 302 F HA -0.032 4.494 4.527 -0.002 0.000 0.296 302 F C 2.401 178.258 175.800 0.095 0.000 1.110 302 F CA 0.468 58.495 58.000 0.046 0.000 1.446 302 F CB 0.127 39.129 39.000 0.002 0.000 1.092 302 F HN 0.050 nan 8.300 nan 0.000 0.554 303 Q N -0.534 119.386 119.800 0.199 0.000 2.356 303 Q HA 0.121 4.460 4.340 -0.001 0.000 0.205 303 Q C 2.106 178.127 176.000 0.034 0.000 0.901 303 Q CA 0.399 56.246 55.803 0.073 0.000 0.938 303 Q CB 0.343 29.062 28.738 -0.032 0.000 1.081 303 Q HN 0.281 nan 8.270 nan 0.000 0.517 304 V N 0.122 120.090 119.914 0.089 0.000 3.129 304 V HA -0.067 4.052 4.120 -0.001 0.000 0.259 304 V C 1.395 177.522 176.094 0.055 0.000 1.116 304 V CA 0.959 63.277 62.300 0.031 0.000 1.127 304 V CB -0.401 31.433 31.823 0.018 0.000 0.742 304 V HN 0.131 nan 8.190 nan 0.000 0.474 305 F N -0.309 119.653 119.950 0.019 0.000 2.104 305 F HA -0.016 4.510 4.527 -0.002 0.000 0.288 305 F C 2.281 178.144 175.800 0.106 0.000 1.107 305 F CA 1.428 59.473 58.000 0.075 0.000 1.208 305 F CB -0.729 38.330 39.000 0.099 0.000 1.033 305 F HN -0.143 nan 8.300 nan 0.000 0.478 306 V N 0.551 120.648 119.914 0.305 0.000 2.439 306 V HA -0.300 3.819 4.120 -0.001 0.000 0.253 306 V C 2.228 178.392 176.094 0.116 0.000 1.074 306 V CA 1.729 64.148 62.300 0.198 0.000 1.076 306 V CB -0.754 31.147 31.823 0.130 0.000 0.664 306 V HN 0.296 nan 8.190 nan 0.000 0.461 307 L N -1.121 120.137 121.223 0.058 0.000 2.068 307 L HA -0.006 4.333 4.340 -0.001 0.000 0.204 307 L C 2.076 179.055 176.870 0.182 0.000 1.076 307 L CA 1.784 56.632 54.840 0.015 0.000 0.753 307 L CB -0.430 41.574 42.059 -0.092 0.000 0.910 307 L HN 0.136 nan 8.230 nan 0.000 0.439 308 L N -0.153 121.142 121.223 0.119 0.000 2.109 308 L HA 0.051 4.390 4.340 -0.001 0.000 0.207 308 L C 2.585 179.645 176.870 0.317 0.000 1.086 308 L CA 1.771 56.728 54.840 0.194 0.000 0.760 308 L CB -1.646 40.403 42.059 -0.016 0.000 0.910 308 L HN 0.348 nan 8.230 nan 0.000 0.437 309 A N -2.028 120.934 122.820 0.236 0.000 2.067 309 A HA -0.084 4.235 4.320 -0.001 0.000 0.217 309 A C 2.279 180.026 177.584 0.272 0.000 1.156 309 A CA 1.608 53.795 52.037 0.250 0.000 0.683 309 A CB -0.616 18.535 19.000 0.250 0.000 0.808 309 A HN 0.379 nan 8.150 nan 0.000 0.455 310 T N -1.976 112.765 114.554 0.312 0.000 2.942 310 T HA -0.123 4.226 4.350 -0.001 0.000 0.265 310 T C 1.240 176.236 174.700 0.492 0.000 1.062 310 T CA 1.109 63.424 62.100 0.359 0.000 1.139 310 T CB -0.255 68.801 68.868 0.314 0.000 0.883 310 T HN 0.760 nan 8.240 nan 0.000 0.468 311 W N 2.371 123.878 121.300 0.345 0.000 3.292 311 W HA 0.102 4.761 4.660 -0.002 0.000 0.263 311 W C 1.728 178.333 176.519 0.144 0.000 1.318 311 W CA 0.499 58.004 57.345 0.268 0.000 1.663 311 W CB 0.088 29.702 29.460 0.257 0.000 1.114 311 W HN 0.269 nan 8.180 nan 0.000 0.706 312 S N -3.852 111.917 115.700 0.114 0.000 2.727 312 S HA 0.057 4.526 4.470 -0.001 0.000 0.249 312 S C 1.475 176.087 174.600 0.021 0.000 1.079 312 S CA 0.638 58.813 58.200 -0.043 0.000 0.912 312 S CB 0.094 63.339 63.200 0.075 0.000 0.861 312 S HN 0.010 nan 8.310 nan 0.000 0.484 313 T N 3.413 118.032 114.554 0.109 0.000 2.564 313 T HA -0.058 4.291 4.350 -0.001 0.000 0.259 313 T C 1.710 176.474 174.700 0.107 0.000 1.087 313 T CA 1.665 63.827 62.100 0.102 0.000 1.184 313 T CB -0.803 68.142 68.868 0.128 0.000 0.864 313 T HN 0.354 nan 8.240 nan 0.000 0.403 314 N N 1.551 120.370 118.700 0.198 0.000 2.155 314 N HA -0.160 4.579 4.740 -0.001 0.000 0.183 314 N C -1.089 174.504 175.510 0.138 0.000 0.905 314 N CA 2.274 55.502 53.050 0.296 0.000 0.890 314 N CB -1.432 37.365 38.487 0.516 0.000 1.046 314 N HN 0.246 nan 8.380 nan 0.000 0.818 315 P HA -0.158 nan 4.420 nan 0.000 0.213 315 P C 1.150 178.386 177.300 -0.106 0.000 1.176 315 P CA 2.660 65.653 63.100 -0.180 0.000 0.919 315 P CB -0.461 31.109 31.700 -0.216 0.000 0.791 316 A N -0.068 122.718 122.820 -0.056 0.000 1.894 316 A HA -0.284 4.035 4.320 -0.001 0.000 0.220 316 A C 2.299 179.884 177.584 0.002 0.000 1.237 316 A CA 3.215 55.240 52.037 -0.020 0.000 0.660 316 A CB -1.784 17.211 19.000 -0.008 0.000 0.835 316 A HN 0.289 nan 8.150 nan 0.000 0.461 317 A N -2.741 120.093 122.820 0.023 0.000 2.308 317 A HA 0.226 4.545 4.320 -0.001 0.000 0.217 317 A C 1.487 179.119 177.584 0.080 0.000 1.216 317 A CA 0.881 52.944 52.037 0.043 0.000 0.864 317 A CB -0.029 18.992 19.000 0.035 0.000 0.902 317 A HN 0.529 nan 8.150 nan 0.000 0.499 318 N N -1.779 116.958 118.700 0.063 0.000 2.325 318 N HA 0.121 4.860 4.740 -0.001 0.000 0.220 318 N C 0.923 176.403 175.510 -0.050 0.000 1.176 318 N CA 0.256 53.366 53.050 0.100 0.000 0.861 318 N CB 0.391 39.040 38.487 0.271 0.000 1.230 318 N HN 0.305 nan 8.380 nan 0.000 0.479 319 L N 0.760 121.851 121.223 -0.220 0.000 2.500 319 L HA 0.363 4.702 4.340 -0.001 0.000 0.219 319 L C 1.800 178.596 176.870 -0.123 0.000 1.057 319 L CA 0.599 55.245 54.840 -0.323 0.000 0.854 319 L CB -0.070 41.595 42.059 -0.658 0.000 1.078 319 L HN -0.032 nan 8.230 nan 0.000 0.480 320 L N -1.269 119.939 121.223 -0.025 0.000 2.046 320 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 320 L C 2.421 179.447 176.870 0.260 0.000 1.077 320 L CA 1.459 56.391 54.840 0.154 0.000 0.747 320 L CB -0.511 41.661 42.059 0.189 0.000 0.896 320 L HN 0.210 nan 8.230 nan 0.000 0.432 321 S N -0.178 115.616 115.700 0.157 0.000 2.345 321 S HA -0.061 4.409 4.470 -0.001 0.000 0.220 321 S C -0.537 174.136 174.600 0.121 0.000 1.031 321 S CA 1.395 59.689 58.200 0.158 0.000 0.996 321 S CB -1.159 62.109 63.200 0.114 0.000 0.882 321 S HN 0.336 nan 8.310 nan 0.000 0.445 322 P HA -0.038 nan 4.420 nan 0.000 0.221 322 P C 1.052 178.338 177.300 -0.024 0.000 1.145 322 P CA 1.231 64.341 63.100 0.016 0.000 0.795 322 P CB -0.088 31.616 31.700 0.007 0.000 0.775 323 A N -0.648 122.164 122.820 -0.014 0.000 1.872 323 A HA -0.146 4.173 4.320 -0.001 0.000 0.214 323 A C 2.031 179.548 177.584 -0.112 0.000 1.187 323 A CA 1.067 53.047 52.037 -0.095 0.000 0.614 323 A CB -1.696 17.223 19.000 -0.136 0.000 0.826 323 A HN 0.118 nan 8.150 nan 0.000 0.442 324 Y N 0.196 120.522 120.300 0.044 0.000 2.561 324 Y HA -0.029 4.520 4.550 -0.001 0.000 0.291 324 Y C 2.462 178.347 175.900 -0.024 0.000 1.141 324 Y CA 1.325 59.438 58.100 0.021 0.000 1.303 324 Y CB -0.142 38.318 38.460 0.000 0.000 1.015 324 Y HN 0.246 nan 8.280 nan 0.000 0.547 325 T N -0.206 114.394 114.554 0.078 0.000 3.054 325 T HA 0.024 4.373 4.350 -0.001 0.000 0.259 325 T C 1.832 176.511 174.700 -0.035 0.000 1.092 325 T CA 0.599 62.705 62.100 0.011 0.000 1.121 325 T CB -0.072 68.796 68.868 -0.001 0.000 0.912 325 T HN 0.263 nan 8.240 nan 0.000 0.489 326 L N 0.110 121.252 121.223 -0.134 0.000 2.131 326 L HA 0.013 4.352 4.340 -0.001 0.000 0.206 326 L C 2.331 179.078 176.870 -0.205 0.000 1.087 326 L CA 0.772 55.397 54.840 -0.359 0.000 0.767 326 L CB -0.442 41.152 42.059 -0.775 0.000 0.917 326 L HN 0.336 nan 8.230 nan 0.000 0.441 327 C N -1.343 117.918 119.300 -0.065 0.000 2.481 327 C HA -0.037 4.423 4.460 -0.001 0.000 0.275 327 C C 3.105 178.126 174.990 0.051 0.000 1.419 327 C CA 0.865 59.912 59.018 0.048 0.000 1.773 327 C CB -0.462 27.318 27.740 0.065 0.000 1.862 327 C HN 0.544 nan 8.230 nan 0.000 0.530 328 S N 0.409 116.122 115.700 0.022 0.000 2.398 328 S HA -0.086 4.383 4.470 -0.001 0.000 0.220 328 S C 1.822 176.385 174.600 -0.062 0.000 1.046 328 S CA 1.766 59.959 58.200 -0.012 0.000 0.953 328 S CB -0.331 62.855 63.200 -0.023 0.000 0.856 328 S HN 0.552 nan 8.310 nan 0.000 0.506 329 T N 0.935 115.446 114.554 -0.072 0.000 3.043 329 T HA 0.263 4.612 4.350 -0.001 0.000 0.263 329 T C -0.441 173.923 174.700 -0.560 0.000 1.094 329 T CA 0.589 62.528 62.100 -0.268 0.000 1.127 329 T CB -0.220 68.521 68.868 -0.211 0.000 0.905 329 T HN 0.381 nan 8.240 nan 0.000 0.490 330 F N 0.634 120.569 119.950 -0.025 0.000 2.769 330 F HA 0.366 4.892 4.527 -0.001 0.000 0.358 330 F C -2.306 173.592 175.800 0.163 0.000 1.285 330 F CA -2.613 55.450 58.000 0.105 0.000 1.199 330 F CB 1.502 40.660 39.000 0.264 0.000 1.558 330 F HN -0.113 nan 8.300 nan 0.000 0.583 331 P HA -0.144 nan 4.420 nan 0.000 0.214 331 P C 1.087 178.486 177.300 0.165 0.000 1.162 331 P CA 1.600 64.782 63.100 0.138 0.000 0.879 331 P CB 0.105 31.840 31.700 0.059 0.000 0.786 332 R N -0.479 120.107 120.500 0.143 0.000 2.325 332 R HA 0.149 4.488 4.340 -0.001 0.000 0.214 332 R C 0.862 177.229 176.300 0.111 0.000 0.961 332 R CA 0.378 56.541 56.100 0.106 0.000 1.086 332 R CB -0.765 29.577 30.300 0.070 0.000 1.037 332 R HN 0.145 nan 8.270 nan 0.000 0.493 333 V N -0.711 119.326 119.914 0.206 0.000 2.806 333 V HA 0.253 4.372 4.120 -0.001 0.000 0.239 333 V C 0.187 176.215 176.094 -0.110 0.000 1.113 333 V CA 0.500 62.844 62.300 0.074 0.000 1.137 333 V CB -0.164 31.787 31.823 0.214 0.000 0.865 333 V HN 0.046 nan 8.190 nan 0.000 0.482 334 F N -0.006 119.970 119.950 0.044 0.000 2.556 334 F HA 0.714 5.241 4.527 -0.001 0.000 0.327 334 F C 0.461 176.274 175.800 0.023 0.000 1.059 334 F CA -0.953 57.057 58.000 0.017 0.000 0.953 334 F CB 1.042 40.047 39.000 0.009 0.000 1.227 334 F HN -0.239 nan 8.300 nan 0.000 0.478 335 T N 0.669 115.337 114.554 0.191 0.000 2.893 335 T HA 0.147 4.496 4.350 -0.001 0.000 0.279 335 T C 0.506 175.295 174.700 0.150 0.000 0.991 335 T CA -0.270 61.905 62.100 0.125 0.000 0.950 335 T CB 0.712 69.604 68.868 0.039 0.000 1.223 335 T HN 0.495 nan 8.240 nan 0.000 0.585 336 F N 0.921 120.850 119.950 -0.035 0.000 2.365 336 F HA 0.104 4.630 4.527 -0.001 0.000 0.300 336 F C 1.836 177.647 175.800 0.019 0.000 1.090 336 F CA 1.168 59.123 58.000 -0.075 0.000 1.408 336 F CB -0.322 38.623 39.000 -0.090 0.000 1.060 336 F HN 0.300 nan 8.300 nan 0.000 0.534 337 K N -1.106 119.203 120.400 -0.153 0.000 2.314 337 K HA 0.071 4.390 4.320 -0.001 0.000 0.198 337 K C 1.504 178.061 176.600 -0.072 0.000 1.045 337 K CA 1.250 57.330 56.287 -0.346 0.000 0.988 337 K CB 0.012 32.200 32.500 -0.521 0.000 0.783 337 K HN 0.171 nan 8.250 nan 0.000 0.484 338 T N -0.285 114.272 114.554 0.006 0.000 3.014 338 T HA 0.045 4.395 4.350 -0.001 0.000 0.250 338 T C 1.725 176.538 174.700 0.188 0.000 1.060 338 T CA 0.468 62.614 62.100 0.076 0.000 1.040 338 T CB 0.527 69.421 68.868 0.044 0.000 0.971 338 T HN 0.331 nan 8.240 nan 0.000 0.497 339 G N 1.381 110.281 108.800 0.166 0.000 2.404 339 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.215 339 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.215 339 G C 1.620 176.512 174.900 -0.014 0.000 1.174 339 G CA 0.621 45.771 45.100 0.083 0.000 0.780 339 G HN 0.383 nan 8.290 nan 0.000 0.537 340 V N 1.181 121.045 119.914 -0.084 0.000 2.332 340 V HA -0.178 3.941 4.120 -0.001 0.000 0.248 340 V C 2.740 178.798 176.094 -0.061 0.000 1.055 340 V CA 1.670 63.876 62.300 -0.155 0.000 1.038 340 V CB -0.301 31.349 31.823 -0.288 0.000 0.651 340 V HN 0.406 nan 8.190 nan 0.000 0.450 341 I N -0.772 119.816 120.570 0.030 0.000 2.584 341 I HA -0.092 4.077 4.170 -0.001 0.000 0.255 341 I C 2.108 178.268 176.117 0.071 0.000 1.145 341 I CA 0.725 62.061 61.300 0.060 0.000 1.462 341 I CB -0.142 37.909 38.000 0.085 0.000 1.102 341 I HN 0.142 nan 8.210 nan 0.000 0.433 342 V N -0.010 119.960 119.914 0.094 0.000 2.871 342 V HA -0.134 3.985 4.120 -0.001 0.000 0.256 342 V C 2.390 178.531 176.094 0.079 0.000 1.082 342 V CA 1.276 63.641 62.300 0.108 0.000 1.105 342 V CB -0.288 31.657 31.823 0.204 0.000 0.713 342 V HN 0.323 nan 8.190 nan 0.000 0.473 343 S N 0.946 116.672 115.700 0.044 0.000 2.343 343 S HA -0.177 4.292 4.470 -0.001 0.000 0.219 343 S C 2.339 176.992 174.600 0.088 0.000 1.033 343 S CA 1.513 59.726 58.200 0.023 0.000 1.014 343 S CB -0.625 62.547 63.200 -0.047 0.000 0.915 343 S HN 0.637 nan 8.310 nan 0.000 0.435 344 A N 1.788 124.669 122.820 0.102 0.000 1.863 344 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 344 A C 2.359 180.067 177.584 0.207 0.000 1.233 344 A CA 2.378 54.557 52.037 0.238 0.000 0.655 344 A CB -1.491 17.628 19.000 0.199 0.000 0.839 344 A HN 0.343 nan 8.150 nan 0.000 0.454 345 V N -0.597 119.400 119.914 0.139 0.000 2.370 345 V HA -0.288 3.831 4.120 -0.001 0.000 0.252 345 V C 2.488 178.643 176.094 0.103 0.000 1.068 345 V CA 2.144 64.512 62.300 0.113 0.000 1.061 345 V CB -1.022 30.850 31.823 0.081 0.000 0.656 345 V HN 0.392 nan 8.190 nan 0.000 0.455 346 V N 0.561 120.533 119.914 0.097 0.000 2.323 346 V HA -0.110 4.009 4.120 -0.001 0.000 0.244 346 V C 2.565 178.710 176.094 0.084 0.000 1.041 346 V CA 2.140 64.483 62.300 0.071 0.000 1.025 346 V CB -1.147 30.707 31.823 0.051 0.000 0.656 346 V HN 0.599 nan 8.190 nan 0.000 0.451 347 G N -0.047 108.838 108.800 0.142 0.000 2.453 347 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.215 347 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.215 347 G C 1.550 176.523 174.900 0.122 0.000 1.201 347 G CA 1.134 46.331 45.100 0.162 0.000 0.784 347 G HN 0.438 nan 8.290 nan 0.000 0.545 348 L N 0.266 121.593 121.223 0.173 0.000 2.030 348 L HA -0.122 4.217 4.340 -0.001 0.000 0.222 348 L C 1.867 178.817 176.870 0.133 0.000 1.082 348 L CA 0.618 55.579 54.840 0.201 0.000 0.785 348 L CB -0.932 41.248 42.059 0.203 0.000 0.895 348 L HN 0.149 nan 8.230 nan 0.000 0.439 353 W N 1.496 122.536 121.300 -0.434 0.000 2.296 353 W HA -0.156 4.503 4.660 -0.002 0.000 0.296 353 W C 1.891 178.147 176.519 -0.437 0.000 1.220 353 W CA 1.857 58.660 57.345 -0.903 0.000 1.223 353 W CB -1.452 26.660 29.460 -2.246 0.000 1.139 353 W HN 0.137 nan 8.180 nan 0.000 0.534 354 Q N -0.110 119.530 119.800 -0.266 0.000 2.163 354 Q HA -0.058 4.281 4.340 -0.001 0.000 0.198 354 Q C 2.012 177.996 176.000 -0.026 0.000 0.954 354 Q CA 1.421 57.216 55.803 -0.013 0.000 0.851 354 Q CB -0.973 27.789 28.738 0.040 0.000 0.928 354 Q HN 0.332 nan 8.270 nan 0.000 0.459 355 F N 0.566 120.406 119.950 -0.183 0.000 2.063 355 F HA -0.279 4.247 4.527 -0.002 0.000 0.298 355 F C 1.825 177.568 175.800 -0.096 0.000 1.109 355 F CA 1.856 59.783 58.000 -0.122 0.000 1.212 355 F CB -0.813 38.136 39.000 -0.085 0.000 0.973 355 F HN 0.169 nan 8.300 nan 0.000 0.480 356 A N 0.018 122.877 122.820 0.066 0.000 1.821 356 A HA 0.022 4.341 4.320 -0.001 0.000 0.215 356 A C 2.587 180.019 177.584 -0.253 0.000 1.216 356 A CA 1.871 53.887 52.037 -0.035 0.000 0.615 356 A CB -1.774 17.373 19.000 0.245 0.000 0.862 356 A HN 0.578 nan 8.150 nan 0.000 0.450 357 G N -0.850 107.779 108.800 -0.284 0.000 2.913 357 G HA2 -0.418 3.541 3.960 -0.001 0.000 0.285 357 G HA3 -0.418 3.541 3.960 -0.001 0.000 0.285 357 G C 1.493 176.076 174.900 -0.528 0.000 1.081 357 G CA 2.895 47.650 45.100 -0.575 0.000 0.784 357 G HN 0.697 nan 8.290 nan 0.000 0.705 358 V N 0.284 120.027 119.914 -0.285 0.000 2.256 358 V HA 0.135 4.254 4.120 -0.001 0.000 0.240 358 V C 2.235 178.109 176.094 -0.367 0.000 1.036 358 V CA 1.617 63.758 62.300 -0.266 0.000 1.008 358 V CB -0.385 31.313 31.823 -0.207 0.000 0.648 358 V HN 0.316 nan 8.190 nan 0.000 0.453 359 L N 1.330 122.271 121.223 -0.470 0.000 2.928 359 L HA 0.256 4.595 4.340 -0.001 0.000 0.246 359 L C 1.744 178.386 176.870 -0.381 0.000 1.239 359 L CA -0.046 54.449 54.840 -0.576 0.000 1.035 359 L CB -0.448 41.072 42.059 -0.898 0.000 1.360 359 L HN 0.341 nan 8.230 nan 0.000 0.529 360 N N 0.824 119.338 118.700 -0.309 0.000 2.322 360 N HA -0.189 4.550 4.740 -0.001 0.000 0.189 360 N C 1.421 176.882 175.510 -0.080 0.000 1.012 360 N CA 1.619 54.559 53.050 -0.184 0.000 0.880 360 N CB 0.178 38.551 38.487 -0.189 0.000 0.967 360 N HN 0.207 nan 8.380 nan 0.000 0.439 361 T N -0.475 114.076 114.554 -0.005 0.000 2.977 361 T HA -0.059 4.290 4.350 -0.001 0.000 0.271 361 T C 0.662 175.489 174.700 0.212 0.000 1.105 361 T CA 0.774 62.943 62.100 0.116 0.000 1.116 361 T CB -0.166 68.846 68.868 0.241 0.000 0.878 361 T HN 0.221 nan 8.240 nan 0.000 0.509 362 F N -0.722 119.099 119.950 -0.214 0.000 2.724 362 F HA 0.437 4.963 4.527 -0.001 0.000 0.306 362 F C 1.327 177.059 175.800 -0.114 0.000 1.100 362 F CA -1.015 56.881 58.000 -0.173 0.000 1.255 362 F CB -0.255 38.616 39.000 -0.214 0.000 1.072 362 F HN 0.050 nan 8.300 nan 0.000 0.589 363 L N -0.283 120.978 121.223 0.064 0.000 2.509 363 L HA 0.155 4.494 4.340 -0.001 0.000 0.222 363 L C 0.940 177.849 176.870 0.064 0.000 1.123 363 L CA 1.465 56.407 54.840 0.170 0.000 0.856 363 L CB -0.480 41.738 42.059 0.265 0.000 0.985 363 L HN 0.000 nan 8.230 nan 0.000 0.456 364 N N -1.510 117.191 118.700 0.001 0.000 2.236 364 N HA 0.178 4.917 4.740 -0.001 0.000 0.196 364 N C 1.067 176.511 175.510 -0.109 0.000 1.114 364 N CA -0.028 52.986 53.050 -0.062 0.000 0.859 364 N CB 0.378 38.780 38.487 -0.141 0.000 0.982 364 N HN 0.284 nan 8.380 nan 0.000 0.493 365 L N 0.141 121.302 121.223 -0.103 0.000 2.693 365 L HA 0.251 4.590 4.340 -0.001 0.000 0.235 365 L C 1.318 178.155 176.870 -0.055 0.000 1.127 365 L CA 0.143 54.905 54.840 -0.130 0.000 0.914 365 L CB 0.380 42.288 42.059 -0.251 0.000 1.193 365 L HN 0.237 nan 8.230 nan 0.000 0.502 366 L N -0.347 120.875 121.223 -0.001 0.000 2.121 366 L HA 0.089 4.428 4.340 -0.001 0.000 0.200 366 L C 2.222 179.103 176.870 0.017 0.000 1.077 366 L CA 0.835 55.692 54.840 0.029 0.000 0.766 366 L CB -0.173 41.922 42.059 0.061 0.000 0.931 366 L HN 0.173 nan 8.230 nan 0.000 0.452 367 A N -0.857 121.970 122.820 0.012 0.000 2.250 367 A HA -0.042 4.277 4.320 -0.001 0.000 0.208 367 A C 1.606 179.218 177.584 0.047 0.000 1.254 367 A CA 1.094 53.155 52.037 0.040 0.000 0.858 367 A CB -0.563 18.488 19.000 0.086 0.000 0.820 367 A HN 0.495 nan 8.150 nan 0.000 0.484 368 S N -2.881 112.838 115.700 0.033 0.000 2.787 368 S HA 0.451 4.920 4.470 -0.001 0.000 0.255 368 S C 1.030 175.709 174.600 0.132 0.000 1.051 368 S CA 0.589 58.824 58.200 0.060 0.000 1.124 368 S CB 0.081 63.238 63.200 -0.071 0.000 1.104 368 S HN 0.763 nan 8.310 nan 0.000 0.623 369 A N 0.876 123.737 122.820 0.067 0.000 2.379 369 A HA 0.565 4.884 4.320 -0.001 0.000 0.236 369 A C 0.906 178.519 177.584 0.048 0.000 1.272 369 A CA -0.132 51.922 52.037 0.029 0.000 0.886 369 A CB -0.343 18.667 19.000 0.017 0.000 0.962 369 A HN 0.524 nan 8.150 nan 0.000 0.504 370 L N 0.022 121.305 121.223 0.099 0.000 3.036 370 L HA 0.408 4.747 4.340 -0.001 0.000 0.237 370 L C 1.473 178.383 176.870 0.067 0.000 1.319 370 L CA 0.441 55.345 54.840 0.108 0.000 1.112 370 L CB -0.047 42.101 42.059 0.150 0.000 1.480 370 L HN 0.212 nan 8.230 nan 0.000 0.506 371 G N -0.302 108.471 108.800 -0.046 0.000 2.441 371 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.212 371 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.212 371 G C -0.774 173.933 174.900 -0.322 0.000 1.164 371 G CA 0.367 45.323 45.100 -0.241 0.000 0.811 371 G HN 0.368 nan 8.290 nan 0.000 0.535 372 P HA -0.100 nan 4.420 nan 0.000 0.220 372 P C 1.855 178.977 177.300 -0.298 0.000 1.144 372 P CA 0.531 63.360 63.100 -0.452 0.000 0.800 372 P CB 0.012 31.231 31.700 -0.802 0.000 0.772 373 L N -0.967 120.159 121.223 -0.161 0.000 2.179 373 L HA 0.070 4.409 4.340 -0.001 0.000 0.208 373 L C 2.109 179.022 176.870 0.071 0.000 1.096 373 L CA 1.601 56.524 54.840 0.138 0.000 0.779 373 L CB -1.386 40.862 42.059 0.314 0.000 0.922 373 L HN -0.137 nan 8.230 nan 0.000 0.443 374 A N -0.264 122.556 122.820 -0.001 0.000 1.873 374 A HA -0.010 4.310 4.320 -0.001 0.000 0.215 374 A C 2.310 179.859 177.584 -0.057 0.000 1.186 374 A CA 1.404 53.435 52.037 -0.009 0.000 0.616 374 A CB -1.549 17.438 19.000 -0.022 0.000 0.823 374 A HN 0.491 nan 8.150 nan 0.000 0.442 375 G N -0.560 108.162 108.800 -0.130 0.000 2.422 375 G HA2 0.062 4.021 3.960 -0.001 0.000 0.218 375 G HA3 0.062 4.021 3.960 -0.001 0.000 0.218 375 G C 0.929 175.774 174.900 -0.091 0.000 1.140 375 G CA 0.485 45.509 45.100 -0.127 0.000 0.775 375 G HN 0.451 nan 8.290 nan 0.000 0.545 379 S N 0.824 116.633 115.700 0.181 0.000 2.402 379 S HA -0.260 4.210 4.470 -0.001 0.000 0.233 379 S C 1.558 176.365 174.600 0.345 0.000 1.030 379 S CA 2.487 60.836 58.200 0.248 0.000 1.003 379 S CB -0.197 63.138 63.200 0.225 0.000 0.813 379 S HN 0.502 nan 8.310 nan 0.000 0.477 380 D N -0.700 119.872 120.400 0.287 0.000 2.144 380 D HA -0.088 4.552 4.640 -0.001 0.000 0.207 380 D C 1.703 178.189 176.300 0.311 0.000 0.970 380 D CA 0.899 55.091 54.000 0.319 0.000 0.853 380 D CB -0.460 40.451 40.800 0.185 0.000 1.007 380 D HN 0.539 nan 8.370 nan 0.000 0.469 381 Y N -0.334 120.110 120.300 0.239 0.000 2.571 381 Y HA -0.002 4.547 4.550 -0.001 0.000 0.294 381 Y C 1.191 177.206 175.900 0.191 0.000 1.141 381 Y CA 0.979 59.209 58.100 0.218 0.000 1.308 381 Y CB -0.184 38.431 38.460 0.257 0.000 1.002 381 Y HN -0.085 nan 8.280 nan 0.000 0.551 382 F N -1.763 118.223 119.950 0.060 0.000 2.532 382 F HA 0.119 4.645 4.527 -0.002 0.000 0.278 382 F C 1.781 177.608 175.800 0.045 0.000 0.975 382 F CA 0.597 58.593 58.000 -0.007 0.000 1.292 382 F CB -0.170 38.912 39.000 0.136 0.000 1.112 382 F HN -0.199 nan 8.300 nan 0.000 0.703 383 L N -1.220 120.185 121.223 0.304 0.000 2.253 383 L HA 0.039 4.378 4.340 -0.001 0.000 0.205 383 L C 1.931 178.905 176.870 0.174 0.000 1.078 383 L CA 0.561 55.533 54.840 0.220 0.000 0.805 383 L CB -0.462 41.726 42.059 0.215 0.000 0.963 383 L HN -0.031 nan 8.230 nan 0.000 0.459 384 V N -0.091 119.933 119.914 0.184 0.000 2.599 384 V HA -0.034 4.086 4.120 -0.001 0.000 0.245 384 V C 1.959 178.132 176.094 0.132 0.000 1.046 384 V CA 1.198 63.583 62.300 0.142 0.000 1.065 384 V CB -0.227 31.667 31.823 0.119 0.000 0.703 384 V HN 0.393 nan 8.190 nan 0.000 0.464 385 R N -0.497 120.081 120.500 0.130 0.000 2.509 385 R HA 0.304 4.643 4.340 -0.001 0.000 0.300 385 R C 0.128 176.538 176.300 0.184 0.000 0.985 385 R CA -0.388 55.803 56.100 0.153 0.000 1.092 385 R CB 0.253 30.612 30.300 0.098 0.000 1.237 385 R HN 0.315 nan 8.270 nan 0.000 0.546 386 R N 1.734 122.288 120.500 0.090 0.000 2.916 386 R HA -0.238 4.101 4.340 -0.001 0.000 0.232 386 R C -0.344 175.882 176.300 -0.124 0.000 0.833 386 R CA 0.622 56.714 56.100 -0.013 0.000 0.566 386 R CB -1.344 28.989 30.300 0.056 0.000 1.058 386 R HN 0.388 nan 8.270 nan 0.000 0.498 387 R N -2.132 118.141 120.500 -0.378 0.000 3.951 387 R HA -0.234 4.105 4.340 -0.001 0.000 0.352 387 R C -0.041 176.282 176.300 0.039 0.000 1.178 387 R CA 1.550 57.348 56.100 -0.503 0.000 0.949 387 R CB -0.882 29.149 30.300 -0.449 0.000 1.452 387 R HN 0.451 nan 8.270 nan 0.000 0.540 388 R N 1.487 122.069 120.500 0.135 0.000 2.255 388 R HA 0.535 4.874 4.340 -0.001 0.000 0.326 388 R C 0.007 176.456 176.300 0.248 0.000 0.986 388 R CA -0.461 55.789 56.100 0.249 0.000 0.847 388 R CB 0.685 31.183 30.300 0.331 0.000 1.111 388 R HN 0.304 nan 8.270 nan 0.000 0.452 389 I N -0.832 119.819 120.570 0.134 0.000 3.042 389 I HA 0.552 4.721 4.170 -0.001 0.000 0.310 389 I C -0.862 175.240 176.117 -0.024 0.000 1.117 389 I CA -0.866 60.470 61.300 0.060 0.000 1.003 389 I CB 2.556 40.485 38.000 -0.119 0.000 1.228 389 I HN 0.438 nan 8.210 nan 0.000 0.443 390 S N 3.765 119.521 115.700 0.094 0.000 2.577 390 S HA 0.460 4.929 4.470 -0.001 0.000 0.294 390 S C 0.745 175.367 174.600 0.035 0.000 1.161 390 S CA -0.779 57.471 58.200 0.084 0.000 1.143 390 S CB 0.387 63.662 63.200 0.125 0.000 0.991 390 S HN 0.741 nan 8.310 nan 0.000 0.475 391 L N 3.114 124.283 121.223 -0.090 0.000 2.131 391 L HA -0.083 4.256 4.340 -0.001 0.000 0.210 391 L C 2.264 179.028 176.870 -0.176 0.000 1.092 391 L CA 1.609 56.310 54.840 -0.232 0.000 0.759 391 L CB -0.585 41.311 42.059 -0.272 0.000 0.903 391 L HN 0.817 nan 8.230 nan 0.000 0.435 392 H N -0.284 118.827 119.070 0.070 0.000 2.448 392 H HA -0.096 4.460 4.556 -0.001 0.000 0.292 392 H C 1.574 176.969 175.328 0.111 0.000 1.035 392 H CA 1.388 57.535 56.048 0.165 0.000 1.349 392 H CB 0.214 30.092 29.762 0.193 0.000 1.425 392 H HN 0.168 nan 8.280 nan 0.000 0.539 393 D N -0.299 120.099 120.400 -0.003 0.000 2.289 393 D HA -0.005 4.634 4.640 -0.001 0.000 0.207 393 D C 1.604 177.955 176.300 0.085 0.000 0.966 393 D CA 0.418 54.383 54.000 -0.058 0.000 0.868 393 D CB 0.118 40.851 40.800 -0.111 0.000 0.943 393 D HN 0.383 nan 8.370 nan 0.000 0.514 394 L N -0.448 120.880 121.223 0.175 0.000 2.610 394 L HA -0.031 4.308 4.340 -0.001 0.000 0.232 394 L C 0.411 177.341 176.870 0.099 0.000 1.149 394 L CA 0.574 55.505 54.840 0.152 0.000 0.872 394 L CB 0.061 42.187 42.059 0.110 0.000 0.992 394 L HN 0.096 nan 8.230 nan 0.000 0.447 395 Y N -0.740 119.457 120.300 -0.172 0.000 2.719 395 Y HA 0.314 4.863 4.550 -0.001 0.000 0.251 395 Y C 0.169 175.973 175.900 -0.161 0.000 1.159 395 Y CA -0.644 57.356 58.100 -0.167 0.000 1.166 395 Y CB 0.388 38.739 38.460 -0.182 0.000 1.219 395 Y HN -0.095 nan 8.280 nan 0.000 0.551 396 R N -0.823 119.630 120.500 -0.078 0.000 2.574 396 R HA 0.310 4.650 4.340 -0.001 0.000 0.288 396 R C 0.865 177.117 176.300 -0.081 0.000 1.004 396 R CA -0.274 55.767 56.100 -0.099 0.000 0.895 396 R CB 1.422 31.612 30.300 -0.184 0.000 1.191 396 R HN 0.021 nan 8.270 nan 0.000 0.444 397 T N 1.811 116.328 114.554 -0.062 0.000 2.649 397 T HA -0.211 4.138 4.350 -0.001 0.000 0.268 397 T C 0.296 174.965 174.700 -0.052 0.000 1.036 397 T CA 1.734 63.803 62.100 -0.052 0.000 1.157 397 T CB 0.023 68.870 68.868 -0.035 0.000 0.861 397 T HN 0.270 nan 8.240 nan 0.000 0.445 398 K N 1.309 121.678 120.400 -0.051 0.000 2.357 398 K HA 0.521 4.840 4.320 -0.001 0.000 0.251 398 K C 0.116 176.667 176.600 -0.082 0.000 1.069 398 K CA -0.481 55.772 56.287 -0.057 0.000 0.994 398 K CB 1.458 33.941 32.500 -0.029 0.000 1.411 398 K HN 0.292 nan 8.250 nan 0.000 0.450 399 G N 0.606 109.332 108.800 -0.124 0.000 3.042 399 G HA2 0.335 4.294 3.960 -0.001 0.000 0.278 399 G HA3 0.335 4.294 3.960 -0.001 0.000 0.278 399 G C 0.496 175.218 174.900 -0.296 0.000 1.371 399 G CA -1.004 43.993 45.100 -0.172 0.000 1.009 399 G HN 0.572 nan 8.290 nan 0.000 0.523 400 I N -2.541 117.760 120.570 -0.448 0.000 3.550 400 I HA 0.254 4.423 4.170 -0.001 0.000 0.295 400 I C 0.357 175.910 176.117 -0.940 0.000 1.291 400 I CA 0.368 61.298 61.300 -0.615 0.000 1.298 400 I CB -0.323 37.330 38.000 -0.578 0.000 1.026 400 I HN 0.399 nan 8.210 nan 0.000 0.491 401 Y N 0.135 120.135 120.300 -0.500 0.000 2.584 401 Y HA 0.234 4.784 4.550 -0.001 0.000 0.254 401 Y C 1.978 177.630 175.900 -0.413 0.000 1.177 401 Y CA -0.402 57.357 58.100 -0.569 0.000 1.216 401 Y CB 0.348 38.723 38.460 -0.142 0.000 1.172 401 Y HN 0.100 nan 8.280 nan 0.000 0.529 402 T N -0.858 113.475 114.554 -0.369 0.000 2.985 402 T HA -0.074 4.275 4.350 -0.001 0.000 0.266 402 T C 0.185 174.773 174.700 -0.186 0.000 1.076 402 T CA 0.764 62.758 62.100 -0.177 0.000 1.135 402 T CB -0.322 68.449 68.868 -0.161 0.000 0.890 402 T HN 0.292 nan 8.240 nan 0.000 0.480 403 Y N -0.423 119.431 120.300 -0.743 0.000 2.854 403 Y HA -0.309 4.241 4.550 -0.001 0.000 0.466 403 Y C 0.494 176.071 175.900 -0.539 0.000 1.170 403 Y CA 0.364 57.731 58.100 -1.221 0.000 2.593 403 Y CB -1.131 37.113 38.460 -0.360 0.000 1.203 403 Y HN 0.285 nan 8.280 nan 0.000 0.629 404 W N 4.046 125.508 121.300 0.271 0.000 1.839 404 W HA 0.227 4.886 4.660 -0.001 0.000 0.489 404 W C 1.316 177.994 176.519 0.264 0.000 0.789 404 W CA 0.906 58.486 57.345 0.393 0.000 1.900 404 W CB -0.085 29.730 29.460 0.592 0.000 1.773 404 W HN 0.535 nan 8.180 nan 0.000 0.251 405 R N 0.336 121.017 120.500 0.303 0.000 3.943 405 R HA -0.266 4.073 4.340 -0.001 0.000 0.459 405 R C 1.188 177.570 176.300 0.136 0.000 0.939 405 R CA 1.870 58.094 56.100 0.207 0.000 1.515 405 R CB -1.423 29.030 30.300 0.255 0.000 2.164 405 R HN 0.670 nan 8.270 nan 0.000 0.516 406 G N -2.057 106.830 108.800 0.145 0.000 2.977 406 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.211 406 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.211 406 G C -0.446 174.474 174.900 0.033 0.000 0.994 406 G CA -0.086 45.058 45.100 0.074 0.000 0.795 406 G HN 0.222 nan 8.290 nan 0.000 0.518 407 V N 2.099 121.990 119.914 -0.039 0.000 2.427 407 V HA 0.558 4.677 4.120 -0.001 0.000 0.286 407 V C -0.289 175.602 176.094 -0.338 0.000 1.034 407 V CA -0.928 61.152 62.300 -0.368 0.000 0.893 407 V CB 1.656 32.931 31.823 -0.912 0.000 0.982 407 V HN 0.306 nan 8.190 nan 0.000 0.452 408 N N 4.271 122.778 118.700 -0.321 0.000 2.482 408 N HA 0.122 4.861 4.740 -0.001 0.000 0.242 408 N C 0.473 175.853 175.510 -0.216 0.000 1.100 408 N CA -0.089 52.803 53.050 -0.263 0.000 0.946 408 N CB 0.404 38.562 38.487 -0.547 0.000 1.227 408 N HN 0.687 nan 8.380 nan 0.000 0.508 409 W N 2.212 123.462 121.300 -0.083 0.000 2.467 409 W HA -0.079 4.580 4.660 -0.002 0.000 0.275 409 W C 2.081 178.484 176.519 -0.194 0.000 1.239 409 W CA 0.290 57.496 57.345 -0.232 0.000 1.266 409 W CB 0.033 29.199 29.460 -0.490 0.000 1.112 409 W HN 0.459 nan 8.180 nan 0.000 0.576 410 V N -2.321 117.613 119.914 0.034 0.000 3.306 410 V HA 0.201 4.321 4.120 -0.001 0.000 0.264 410 V C 1.716 177.867 176.094 0.095 0.000 1.149 410 V CA 1.397 63.707 62.300 0.017 0.000 1.143 410 V CB -0.958 30.888 31.823 0.039 0.000 0.767 410 V HN 0.062 nan 8.190 nan 0.000 0.476 411 A N 0.430 123.323 122.820 0.121 0.000 2.030 411 A HA 0.319 4.638 4.320 -0.001 0.000 0.215 411 A C 2.087 179.844 177.584 0.288 0.000 1.164 411 A CA 0.930 53.074 52.037 0.178 0.000 0.697 411 A CB -0.265 18.752 19.000 0.028 0.000 0.827 411 A HN 0.487 nan 8.150 nan 0.000 0.457 412 L N -0.947 120.404 121.223 0.213 0.000 2.240 412 L HA -0.048 4.291 4.340 -0.001 0.000 0.211 412 L C 2.925 179.886 176.870 0.151 0.000 1.106 412 L CA 1.059 55.988 54.840 0.148 0.000 0.793 412 L CB -0.758 41.321 42.059 0.033 0.000 0.927 412 L HN 0.443 nan 8.230 nan 0.000 0.446 413 A N 0.256 123.151 122.820 0.125 0.000 1.873 413 A HA -0.112 4.207 4.320 -0.001 0.000 0.215 413 A C 2.354 180.003 177.584 0.108 0.000 1.186 413 A CA 1.347 53.432 52.037 0.080 0.000 0.616 413 A CB -0.722 18.277 19.000 -0.001 0.000 0.823 413 A HN 0.139 nan 8.150 nan 0.000 0.442 414 V N -1.234 118.758 119.914 0.130 0.000 2.332 414 V HA -0.321 3.798 4.120 -0.001 0.000 0.248 414 V C 2.349 178.543 176.094 0.167 0.000 1.055 414 V CA 2.193 64.574 62.300 0.135 0.000 1.038 414 V CB -1.025 30.906 31.823 0.179 0.000 0.651 414 V HN 0.720 nan 8.190 nan 0.000 0.450 415 Y N 0.813 121.165 120.300 0.087 0.000 2.207 415 Y HA -0.281 4.269 4.550 -0.001 0.000 0.287 415 Y C 2.330 178.267 175.900 0.061 0.000 1.156 415 Y CA 1.626 59.774 58.100 0.081 0.000 1.182 415 Y CB -0.161 38.370 38.460 0.118 0.000 0.979 415 Y HN 0.215 nan 8.280 nan 0.000 0.521 416 A N -0.895 122.129 122.820 0.340 0.000 1.874 416 A HA -0.097 4.223 4.320 -0.001 0.000 0.214 416 A C 2.188 179.854 177.584 0.136 0.000 1.189 416 A CA 1.499 53.675 52.037 0.232 0.000 0.615 416 A CB -1.139 17.946 19.000 0.142 0.000 0.830 416 A HN 0.289 nan 8.150 nan 0.000 0.443 417 V N 0.199 120.169 119.914 0.094 0.000 2.490 417 V HA -0.251 3.868 4.120 -0.001 0.000 0.250 417 V C 2.962 179.085 176.094 0.048 0.000 1.061 417 V CA 1.826 64.160 62.300 0.057 0.000 1.064 417 V CB -1.265 30.578 31.823 0.034 0.000 0.670 417 V HN 0.592 nan 8.190 nan 0.000 0.461 418 A N -0.361 122.479 122.820 0.033 0.000 1.930 418 A HA -0.085 4.235 4.320 -0.001 0.000 0.217 418 A C 2.233 179.799 177.584 -0.030 0.000 1.175 418 A CA 1.508 53.525 52.037 -0.033 0.000 0.627 418 A CB -0.382 18.551 19.000 -0.112 0.000 0.815 418 A HN 0.489 nan 8.150 nan 0.000 0.443 419 L N -0.951 120.294 121.223 0.036 0.000 2.044 419 L HA -0.125 4.214 4.340 -0.001 0.000 0.205 419 L C 3.062 180.107 176.870 0.292 0.000 1.075 419 L CA 1.016 55.936 54.840 0.132 0.000 0.747 419 L CB -0.515 41.693 42.059 0.248 0.000 0.903 419 L HN 0.424 nan 8.230 nan 0.000 0.435 420 A N -0.689 122.272 122.820 0.234 0.000 2.070 420 A HA -0.113 4.206 4.320 -0.001 0.000 0.220 420 A C 2.072 179.771 177.584 0.192 0.000 1.159 420 A CA 1.324 53.497 52.037 0.226 0.000 0.656 420 A CB -0.491 18.568 19.000 0.097 0.000 0.800 420 A HN 0.267 nan 8.150 nan 0.000 0.453 421 V N 0.390 120.370 119.914 0.111 0.000 3.608 421 V HA -0.043 4.076 4.120 -0.001 0.000 0.269 421 V C 2.255 178.359 176.094 0.017 0.000 1.245 421 V CA 1.524 63.858 62.300 0.055 0.000 1.138 421 V CB -0.027 31.807 31.823 0.019 0.000 0.841 421 V HN 0.757 nan 8.190 nan 0.000 0.451 422 S N -1.327 114.368 115.700 -0.009 0.000 2.556 422 S HA 0.165 4.634 4.470 -0.001 0.000 0.216 422 S C 1.153 175.589 174.600 -0.273 0.000 0.970 422 S CA 0.114 58.220 58.200 -0.157 0.000 0.912 422 S CB -0.349 62.699 63.200 -0.254 0.000 0.790 422 S HN 0.445 nan 8.310 nan 0.000 0.504 423 F N 1.346 121.287 119.950 -0.015 0.000 2.693 423 F HA 0.492 5.018 4.527 -0.001 0.000 0.303 423 F C 1.189 176.984 175.800 -0.007 0.000 1.097 423 F CA -0.077 57.918 58.000 -0.009 0.000 1.330 423 F CB 0.172 39.170 39.000 -0.004 0.000 1.067 423 F HN 0.184 nan 8.300 nan 0.000 0.565 424 L N -0.243 121.043 121.223 0.106 0.000 2.628 424 L HA 0.201 4.540 4.340 -0.001 0.000 0.229 424 L C 0.304 177.187 176.870 0.022 0.000 1.137 424 L CA 0.237 55.115 54.840 0.063 0.000 0.909 424 L CB -0.407 41.681 42.059 0.048 0.000 1.137 424 L HN 0.107 nan 8.230 nan 0.000 0.470 425 T N -4.845 109.703 114.554 -0.009 0.000 3.365 425 T HA 0.269 4.618 4.350 -0.001 0.000 0.290 425 T C -2.395 172.267 174.700 -0.064 0.000 0.941 425 T CA -0.915 61.167 62.100 -0.029 0.000 1.522 425 T CB 1.164 70.011 68.868 -0.036 0.000 0.865 425 T HN -0.231 nan 8.240 nan 0.000 0.572 426 P HA 0.030 nan 4.420 nan 0.000 0.217 426 P C 0.884 178.136 177.300 -0.080 0.000 1.150 426 P CA 0.928 63.985 63.100 -0.071 0.000 0.832 426 P CB 0.156 31.848 31.700 -0.013 0.000 0.787 427 D N -1.341 119.031 120.400 -0.048 0.000 2.339 427 D HA 0.139 4.778 4.640 -0.001 0.000 0.217 427 D C 0.839 177.116 176.300 -0.039 0.000 1.050 427 D CA 0.559 54.534 54.000 -0.042 0.000 0.856 427 D CB 0.285 41.081 40.800 -0.008 0.000 0.922 427 D HN 0.224 nan 8.370 nan 0.000 0.518 431 V N -0.044 119.910 119.914 0.066 0.000 2.626 431 V HA -0.118 4.001 4.120 -0.001 0.000 0.252 431 V C 1.761 177.766 176.094 -0.148 0.000 1.067 431 V CA 2.347 64.627 62.300 -0.034 0.000 1.081 431 V CB -1.035 30.821 31.823 0.055 0.000 0.686 431 V HN 0.541 nan 8.190 nan 0.000 0.468 432 T N -0.144 114.326 114.554 -0.139 0.000 3.040 432 T HA 0.203 4.552 4.350 -0.001 0.000 0.250 432 T C 1.685 176.282 174.700 -0.172 0.000 1.058 432 T CA 0.778 62.799 62.100 -0.132 0.000 0.988 432 T CB 0.468 69.282 68.868 -0.090 0.000 0.993 432 T HN 0.580 nan 8.240 nan 0.000 0.519 433 G N 0.724 109.378 108.800 -0.244 0.000 2.662 433 G HA2 0.110 4.069 3.960 -0.001 0.000 0.212 433 G HA3 0.110 4.069 3.960 -0.001 0.000 0.212 433 G C 1.340 176.042 174.900 -0.330 0.000 1.141 433 G CA -0.009 44.930 45.100 -0.268 0.000 0.797 433 G HN 0.482 nan 8.290 nan 0.000 0.531 434 L N -0.208 120.755 121.223 -0.434 0.000 2.253 434 L HA 0.268 4.608 4.340 -0.001 0.000 0.205 434 L C 2.302 179.010 176.870 -0.270 0.000 1.078 434 L CA 0.385 54.965 54.840 -0.434 0.000 0.805 434 L CB -0.051 41.598 42.059 -0.685 0.000 0.963 434 L HN -0.046 nan 8.230 nan 0.000 0.459 435 I N 0.986 121.419 120.570 -0.227 0.000 2.315 435 I HA -0.177 3.992 4.170 -0.001 0.000 0.248 435 I C 2.739 178.797 176.117 -0.099 0.000 1.117 435 I CA 1.398 62.613 61.300 -0.142 0.000 1.404 435 I CB -1.387 36.545 38.000 -0.113 0.000 1.071 435 I HN 0.365 nan 8.210 nan 0.000 0.419 436 A N 0.466 123.222 122.820 -0.107 0.000 1.970 436 A HA 0.104 4.423 4.320 -0.001 0.000 0.216 436 A C 2.426 179.979 177.584 -0.051 0.000 1.170 436 A CA 1.344 53.341 52.037 -0.068 0.000 0.645 436 A CB -0.395 18.565 19.000 -0.068 0.000 0.816 436 A HN 0.376 nan 8.150 nan 0.000 0.447 437 A N -1.092 121.677 122.820 -0.085 0.000 2.081 437 A HA 0.309 4.628 4.320 -0.001 0.000 0.214 437 A C 1.943 179.524 177.584 -0.005 0.000 1.158 437 A CA 0.865 52.869 52.037 -0.054 0.000 0.724 437 A CB -0.304 18.620 19.000 -0.127 0.000 0.826 437 A HN 0.462 nan 8.150 nan 0.000 0.463 438 L N -0.812 120.395 121.223 -0.026 0.000 2.375 438 L HA 0.184 4.524 4.340 -0.001 0.000 0.215 438 L C 1.851 178.758 176.870 0.061 0.000 1.108 438 L CA 0.446 55.297 54.840 0.018 0.000 0.830 438 L CB 0.056 42.096 42.059 -0.031 0.000 0.959 438 L HN 0.333 nan 8.230 nan 0.000 0.457 439 L N -1.065 120.179 121.223 0.034 0.000 2.307 439 L HA -0.025 4.314 4.340 -0.001 0.000 0.211 439 L C 1.697 178.601 176.870 0.057 0.000 1.099 439 L CA 0.534 55.400 54.840 0.044 0.000 0.816 439 L CB -0.010 42.060 42.059 0.019 0.000 0.952 439 L HN 0.230 nan 8.230 nan 0.000 0.455 440 L N -1.027 120.231 121.223 0.060 0.000 2.628 440 L HA -0.007 4.332 4.340 -0.001 0.000 0.229 440 L C 1.862 178.795 176.870 0.104 0.000 1.137 440 L CA 0.119 54.996 54.840 0.062 0.000 0.909 440 L CB -0.273 41.810 42.059 0.041 0.000 1.137 440 L HN 0.276 nan 8.230 nan 0.000 0.470 441 H N 0.051 119.141 119.070 0.033 0.000 2.582 441 H HA 0.119 4.674 4.556 -0.001 0.000 0.269 441 H C 2.020 177.392 175.328 0.073 0.000 0.962 441 H CA 0.649 56.724 56.048 0.045 0.000 1.230 441 H CB 0.370 30.151 29.762 0.031 0.000 1.445 441 H HN 0.182 nan 8.280 nan 0.000 0.528 442 I N 1.025 121.605 120.570 0.017 0.000 2.163 442 I HA -0.105 4.064 4.170 -0.001 0.000 0.240 442 I C -0.519 175.596 176.117 -0.004 0.000 1.081 442 I CA 0.723 62.020 61.300 -0.005 0.000 1.353 442 I CB -1.288 36.754 38.000 0.069 0.000 1.054 442 I HN 0.245 nan 8.210 nan 0.000 0.407 443 P HA -0.134 nan 4.420 nan 0.000 0.215 443 P C 0.682 178.038 177.300 0.094 0.000 1.157 443 P CA 1.495 64.635 63.100 0.068 0.000 0.868 443 P CB -0.082 31.652 31.700 0.058 0.000 0.788 447 W N 0.693 122.043 121.300 0.082 0.000 2.762 447 W HA 0.151 4.810 4.660 -0.001 0.000 0.265 447 W C 1.122 177.737 176.519 0.161 0.000 1.263 447 W CA 0.644 58.055 57.345 0.110 0.000 1.411 447 W CB 0.544 30.073 29.460 0.116 0.000 1.065 447 W HN -0.176 nan 8.180 nan 0.000 0.609 448 V N 1.399 121.626 119.914 0.523 0.000 2.788 448 V HA -0.081 4.038 4.120 -0.001 0.000 0.251 448 V C 2.330 178.522 176.094 0.163 0.000 1.068 448 V CA 1.479 64.026 62.300 0.411 0.000 1.090 448 V CB -1.193 31.008 31.823 0.631 0.000 0.710 448 V HN 0.254 nan 8.190 nan 0.000 0.467 449 A N 0.081 122.982 122.820 0.136 0.000 2.285 449 A HA -0.215 4.104 4.320 -0.001 0.000 0.214 449 A C 2.137 179.708 177.584 -0.022 0.000 1.188 449 A CA 1.646 53.724 52.037 0.068 0.000 0.707 449 A CB -0.360 18.693 19.000 0.088 0.000 0.771 449 A HN 0.626 nan 8.150 nan 0.000 0.488 450 K N -1.587 118.741 120.400 -0.119 0.000 2.102 450 K HA 0.023 4.342 4.320 -0.001 0.000 0.208 450 K C 1.688 178.103 176.600 -0.309 0.000 1.027 450 K CA 1.411 57.557 56.287 -0.234 0.000 0.958 450 K CB -0.346 31.920 32.500 -0.389 0.000 0.819 450 K HN 0.273 nan 8.250 nan 0.000 0.453 451 T N 0.810 115.102 114.554 -0.437 0.000 3.113 451 T HA 0.089 4.438 4.350 -0.001 0.000 0.263 451 T C -0.252 173.744 174.700 -1.174 0.000 1.143 451 T CA 0.834 62.473 62.100 -0.768 0.000 1.090 451 T CB -0.151 68.192 68.868 -0.875 0.000 0.922 451 T HN -0.017 nan 8.240 nan 0.000 0.521 452 F N 0.535 120.371 119.950 -0.191 0.000 2.665 452 F HA 0.382 4.908 4.527 -0.002 0.000 0.308 452 F C -2.619 173.093 175.800 -0.147 0.000 1.112 452 F CA -2.520 55.359 58.000 -0.202 0.000 0.972 452 F CB 1.627 40.458 39.000 -0.282 0.000 1.295 452 F HN -0.323 nan 8.300 nan 0.000 0.440 453 P HA 0.211 nan 4.420 nan 0.000 0.275 453 P C 0.014 177.254 177.300 -0.100 0.000 1.228 453 P CA -0.134 62.972 63.100 0.011 0.000 0.786 453 P CB 1.299 33.003 31.700 0.005 0.000 0.927 454 L N 1.170 122.285 121.223 -0.180 0.000 2.592 454 L HA 0.219 4.559 4.340 -0.001 0.000 0.227 454 L C 0.085 176.236 176.870 -1.198 0.000 1.127 454 L CA 0.418 54.845 54.840 -0.689 0.000 0.884 454 L CB -0.492 41.040 42.059 -0.880 0.000 1.065 454 L HN 0.297 nan 8.230 nan 0.000 0.457 455 F N -2.037 117.880 119.950 -0.055 0.000 2.789 455 F HA 0.543 5.070 4.527 -0.001 0.000 0.319 455 F C 0.033 175.773 175.800 -0.100 0.000 1.168 455 F CA -1.144 56.821 58.000 -0.059 0.000 0.934 455 F CB 1.184 40.179 39.000 -0.008 0.000 1.375 455 F HN -0.255 nan 8.300 nan 0.000 0.480 456 S N -1.321 114.460 115.700 0.134 0.000 2.661 456 S HA 0.528 4.997 4.470 -0.001 0.000 0.285 456 S C -0.601 174.031 174.600 0.054 0.000 1.138 456 S CA -0.737 57.491 58.200 0.047 0.000 0.855 456 S CB 2.196 65.393 63.200 -0.006 0.000 1.136 456 S HN 0.706 nan 8.310 nan 0.000 0.484 457 E N 0.021 120.236 120.200 0.025 0.000 2.465 457 E HA 0.275 4.624 4.350 -0.001 0.000 0.195 457 E C 0.820 177.418 176.600 -0.003 0.000 1.028 457 E CA 0.076 56.481 56.400 0.009 0.000 0.899 457 E CB 0.517 30.215 29.700 -0.003 0.000 1.032 457 E HN 0.707 nan 8.360 nan 0.000 0.468 458 A N 1.036 123.860 122.820 0.007 0.000 2.430 458 A HA 0.020 4.339 4.320 -0.001 0.000 0.243 458 A C 1.582 179.176 177.584 0.016 0.000 1.254 458 A CA -0.233 51.788 52.037 -0.027 0.000 0.914 458 A CB -0.117 18.843 19.000 -0.066 0.000 0.998 458 A HN 0.224 nan 8.150 nan 0.000 0.515 459 E N 0.324 120.549 120.200 0.042 0.000 2.358 459 E HA -0.097 4.252 4.350 -0.001 0.000 0.195 459 E C 1.354 177.981 176.600 0.046 0.000 1.010 459 E CA 1.063 57.496 56.400 0.055 0.000 0.856 459 E CB -0.370 29.367 29.700 0.061 0.000 0.795 459 E HN 0.483 nan 8.360 nan 0.000 0.504 460 S N 0.734 116.454 115.700 0.033 0.000 2.595 460 S HA 0.019 4.488 4.470 -0.001 0.000 0.235 460 S C 1.464 176.082 174.600 0.031 0.000 0.974 460 S CA -0.006 58.216 58.200 0.037 0.000 0.942 460 S CB -0.240 62.970 63.200 0.017 0.000 0.766 460 S HN 0.263 nan 8.310 nan 0.000 0.536 461 R N 0.601 121.115 120.500 0.023 0.000 2.362 461 R HA 0.270 4.609 4.340 -0.001 0.000 0.227 461 R C 0.841 177.179 176.300 0.063 0.000 0.905 461 R CA -0.122 55.972 56.100 -0.010 0.000 1.067 461 R CB -0.221 30.025 30.300 -0.091 0.000 1.078 461 R HN 0.312 nan 8.270 nan 0.000 0.516 462 N N 1.804 120.578 118.700 0.125 0.000 2.094 462 N HA -0.188 4.551 4.740 -0.001 0.000 0.191 462 N C 1.350 177.024 175.510 0.274 0.000 1.023 462 N CA 1.330 54.484 53.050 0.174 0.000 0.857 462 N CB -0.010 38.463 38.487 -0.023 0.000 1.013 462 N HN 0.176 nan 8.380 nan 0.000 0.426 463 E N 0.732 121.083 120.200 0.252 0.000 2.409 463 E HA -0.081 4.268 4.350 -0.001 0.000 0.198 463 E C 0.639 177.329 176.600 0.151 0.000 1.024 463 E CA 0.481 57.038 56.400 0.263 0.000 0.861 463 E CB -0.165 29.668 29.700 0.222 0.000 0.788 463 E HN 0.360 nan 8.360 nan 0.000 0.521 464 D N -0.896 119.525 120.400 0.036 0.000 2.317 464 D HA -0.075 4.564 4.640 -0.001 0.000 0.211 464 D C 1.217 177.421 176.300 -0.159 0.000 0.966 464 D CA 0.524 54.466 54.000 -0.098 0.000 0.876 464 D CB -0.099 40.569 40.800 -0.220 0.000 0.927 464 D HN 0.342 nan 8.370 nan 0.000 0.519 465 Y N -0.263 120.032 120.300 -0.008 0.000 2.503 465 Y HA 0.178 4.727 4.550 -0.001 0.000 0.278 465 Y C 2.016 177.863 175.900 -0.088 0.000 1.111 465 Y CA 0.358 58.418 58.100 -0.067 0.000 1.270 465 Y CB 0.481 38.868 38.460 -0.122 0.000 1.063 465 Y HN -0.094 nan 8.280 nan 0.000 0.548 466 L N -1.301 119.957 121.223 0.058 0.000 2.609 466 L HA 0.198 4.537 4.340 -0.001 0.000 0.230 466 L C 0.852 177.647 176.870 -0.125 0.000 1.064 466 L CA 0.033 54.748 54.840 -0.207 0.000 0.873 466 L CB 0.276 41.990 42.059 -0.575 0.000 1.139 466 L HN -0.192 nan 8.230 nan 0.000 0.490 467 R N 2.049 122.620 120.500 0.118 0.000 2.234 467 R HA 0.268 4.607 4.340 -0.001 0.000 0.324 467 R C -2.203 174.151 176.300 0.090 0.000 1.054 467 R CA -1.742 54.476 56.100 0.197 0.000 0.912 467 R CB 0.801 31.222 30.300 0.202 0.000 1.030 467 R HN -0.170 nan 8.270 nan 0.000 0.455 468 P HA -0.102 nan 4.420 nan 0.000 0.263 468 P C -0.777 176.542 177.300 0.032 0.000 1.168 468 P CA 0.797 63.927 63.100 0.050 0.000 0.759 468 P CB 0.357 32.091 31.700 0.057 0.000 0.782 469 I N 2.608 123.189 120.570 0.018 0.000 2.420 469 I HA 0.314 4.483 4.170 -0.001 0.000 0.282 469 I C 1.149 177.271 176.117 0.009 0.000 1.019 469 I CA -0.491 60.814 61.300 0.008 0.000 1.130 469 I CB 1.562 39.560 38.000 -0.004 0.000 1.262 469 I HN 0.364 nan 8.210 nan 0.000 0.454 470 G N 0.000 108.806 108.800 0.009 0.000 5.446 470 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 470 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 470 G CA 0.000 45.105 45.100 0.009 0.000 0.502 470 G HN 0.000 nan 8.290 nan 0.000 0.925