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 1m2o_1_C DATA FIRST_RESID 2 DATA SEQUENCE DFETNEDING VRFTWNVFPS TRSDANSNVV PVGCLYTPLK EYDELNVAPY DATA SEQUENCE NPVVCSGPHC KSILNPYCVI DPRNSSWSCP ICNSRNHLPP QYTNXXXENM DATA SEQUENCE PLELQSTTIE YITNKPVTVP PIFFFVVDLT SETENLDSLK ESIITSLSLL DATA SEQUENCE PPNALIGLIT YGNVVQLHDL SSETIDRCNV FRGDREYQLE ALTEMLTGQK DATA SEQUENCE PTXXXXXXXX XXXXXXXVTP FSLNRFFLPL EQVEFKLNQL LENLSPDQWS DATA SEQUENCE VPAGHRPLRA TGSALNIASL LLQGCYKNIP ARIILFASGP GTVAPGLIVN DATA SEQUENCE SELKDPLRSH HDIDSDHAQH YKKACKFYNQ IAQRVAANGH TVDIFAGCYD DATA SEQUENCE QIGMSEMKQL TDSTGGVLLL TDAFSTAIFK QSYLRLFAKD EEGYLKMAFN DATA SEQUENCE GNMAVKTSKD LKVQGLIGHA SAVKKTDANN ISESEIGIGA TSTWKMASLS DATA SEQUENCE PYHSYAIFFE IANTXXXXXX XXXXXXXXXX XHLAYTQFIT TYQHSSGTNR DATA SEQUENCE IRVTTVANQL LPFGTPAIAA SFDQEAAAVL MARIAVHKAE TDDGADVIRW DATA SEQUENCE LDRTLIKLCQ KYADYNKDDP QSFRLAPNFS LYPQFTYYLR RSQFLSVFNN DATA SEQUENCE SPDETAFYRH IFTREDTTNS LIMIQPTLTS FSMEDDPQPV LLDSISVKPN DATA SEQUENCE TILLLDTFFF ILIYHGEQIA QWRKAGYQDD PQYADFKALL EEPKLEAAEL DATA SEQUENCE LVDRFPLPRF IDTEAGGSQA RFLLSKLNPS XXXXXXXXXX XTIVLTDDVS DATA SEQUENCE LQNFMTHLQQ VAVS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.283 176.300 -0.028 0.000 2.045 2 D CA 0.000 53.983 54.000 -0.029 0.000 0.868 2 D CB 0.000 40.740 40.800 -0.100 0.000 0.688 3 F N 1.919 121.878 119.950 0.015 0.000 2.287 3 F HA 0.021 4.548 4.527 0.000 0.000 0.301 3 F C 1.925 177.727 175.800 0.003 0.000 1.069 3 F CA 1.441 59.444 58.000 0.005 0.000 1.372 3 F CB -0.128 38.859 39.000 -0.021 0.000 1.056 3 F HN 0.180 nan 8.300 nan 0.000 0.523 4 E N -0.992 119.314 120.200 0.177 0.000 2.481 4 E HA -0.052 4.298 4.350 0.000 0.000 0.195 4 E C 1.837 178.479 176.600 0.069 0.000 1.047 4 E CA 0.929 57.389 56.400 0.099 0.000 0.867 4 E CB -0.131 29.615 29.700 0.077 0.000 0.858 4 E HN 0.346 nan 8.360 nan 0.000 0.513 5 T N 0.940 115.529 114.554 0.060 0.000 2.937 5 T HA -0.099 4.251 4.350 0.000 0.000 0.260 5 T C 1.704 176.439 174.700 0.059 0.000 1.051 5 T CA 1.047 63.175 62.100 0.047 0.000 1.141 5 T CB -0.173 68.711 68.868 0.026 0.000 0.879 5 T HN 0.128 nan 8.240 nan 0.000 0.459 6 N N 1.506 120.242 118.700 0.060 0.000 2.166 6 N HA -0.136 4.605 4.740 0.000 0.000 0.186 6 N C 1.747 177.320 175.510 0.104 0.000 1.019 6 N CA 1.475 54.574 53.050 0.082 0.000 0.856 6 N CB -0.076 38.465 38.487 0.089 0.000 0.993 6 N HN 0.482 nan 8.380 nan 0.000 0.426 7 E N -0.367 119.887 120.200 0.091 0.000 2.072 7 E HA -0.139 4.211 4.350 0.000 0.000 0.190 7 E C 0.752 177.413 176.600 0.103 0.000 0.982 7 E CA 0.974 57.419 56.400 0.076 0.000 0.803 7 E CB -0.077 29.642 29.700 0.032 0.000 0.755 7 E HN 0.418 nan 8.360 nan 0.000 0.453 8 D N 0.044 120.501 120.400 0.095 0.000 2.351 8 D HA -0.116 4.524 4.640 0.000 0.000 0.216 8 D C 1.589 178.028 176.300 0.232 0.000 0.968 8 D CA 0.846 54.921 54.000 0.124 0.000 0.899 8 D CB 0.224 41.075 40.800 0.085 0.000 0.907 8 D HN 0.374 nan 8.370 nan 0.000 0.514 9 I N -0.414 120.275 120.570 0.199 0.000 3.883 9 I HA 0.013 4.184 4.170 0.000 0.000 0.305 9 I C 1.104 177.299 176.117 0.130 0.000 1.247 9 I CA 0.158 61.542 61.300 0.140 0.000 1.350 9 I CB 0.351 38.393 38.000 0.069 0.000 1.194 9 I HN -0.185 nan 8.210 nan 0.000 0.441 10 N N 0.583 119.408 118.700 0.209 0.000 2.143 10 N HA 0.120 4.861 4.740 0.000 0.000 0.222 10 N C 1.033 176.715 175.510 0.287 0.000 1.264 10 N CA 0.745 53.924 53.050 0.216 0.000 0.897 10 N CB 1.580 40.168 38.487 0.168 0.000 1.092 10 N HN 0.280 nan 8.380 nan 0.000 0.516 11 G N 1.372 110.319 108.800 0.245 0.000 2.283 11 G HA2 -0.253 3.707 3.960 0.000 0.000 0.280 11 G HA3 -0.253 3.707 3.960 0.000 0.000 0.280 11 G C -0.154 174.777 174.900 0.051 0.000 1.029 11 G CA 0.637 45.776 45.100 0.065 0.000 0.840 11 G HN 0.183 nan 8.290 nan 0.000 0.505 12 V N -0.871 119.085 119.914 0.069 0.000 2.864 12 V HA 0.909 5.029 4.120 0.000 0.000 0.314 12 V C 0.179 176.260 176.094 -0.021 0.000 1.073 12 V CA -1.125 61.169 62.300 -0.011 0.000 0.956 12 V CB 2.191 34.002 31.823 -0.020 0.000 1.023 12 V HN 0.419 nan 8.190 nan 0.000 0.435 13 R N 2.140 122.568 120.500 -0.119 0.000 2.531 13 R HA 0.529 4.869 4.340 0.000 0.000 0.293 13 R C -1.871 174.356 176.300 -0.123 0.000 1.124 13 R CA -0.303 55.762 56.100 -0.058 0.000 0.945 13 R CB 0.950 31.184 30.300 -0.110 0.000 1.195 13 R HN 0.531 nan 8.270 nan 0.000 0.433 14 F N 1.572 121.542 119.950 0.034 0.000 2.397 14 F HA 0.244 4.771 4.527 0.000 0.000 0.331 14 F C 1.840 177.600 175.800 -0.067 0.000 1.090 14 F CA 0.094 58.120 58.000 0.043 0.000 1.065 14 F CB 2.076 41.172 39.000 0.160 0.000 1.184 14 F HN 0.710 nan 8.300 nan 0.000 0.499 15 T N -1.193 113.432 114.554 0.119 0.000 2.668 15 T HA -0.191 4.159 4.350 0.000 0.000 0.262 15 T C 0.175 174.632 174.700 -0.405 0.000 1.045 15 T CA 0.833 62.764 62.100 -0.281 0.000 1.152 15 T CB -0.300 68.448 68.868 -0.199 0.000 0.864 15 T HN 0.455 nan 8.240 nan 0.000 0.419 16 W N 2.367 123.756 121.300 0.148 0.000 2.299 16 W HA 0.593 5.253 4.660 0.000 0.000 0.319 16 W C 0.289 176.970 176.519 0.270 0.000 1.008 16 W CA -1.146 56.319 57.345 0.200 0.000 1.384 16 W CB 0.209 29.795 29.460 0.210 0.000 1.220 16 W HN 0.086 nan 8.180 nan 0.000 0.402 17 N N 1.051 119.973 118.700 0.369 0.000 2.609 17 N HA -0.019 4.721 4.740 0.000 0.000 0.190 17 N C -0.480 175.021 175.510 -0.014 0.000 1.157 17 N CA 0.640 53.786 53.050 0.161 0.000 0.918 17 N CB 0.126 38.667 38.487 0.091 0.000 0.978 17 N HN 0.044 nan 8.380 nan 0.000 0.448 18 V N 1.309 121.308 119.914 0.141 0.000 2.610 18 V HA 0.280 4.400 4.120 0.000 0.000 0.298 18 V C -1.080 175.133 176.094 0.197 0.000 1.067 18 V CA -0.911 61.364 62.300 -0.042 0.000 0.894 18 V CB 1.007 32.842 31.823 0.020 0.000 1.015 18 V HN -0.106 nan 8.190 nan 0.000 0.432 19 F N 4.714 124.604 119.950 -0.100 0.000 2.371 19 F HA 0.670 5.197 4.527 0.000 0.000 0.329 19 F C -2.128 173.597 175.800 -0.124 0.000 1.107 19 F CA -3.615 54.315 58.000 -0.117 0.000 1.137 19 F CB 0.150 39.060 39.000 -0.151 0.000 1.214 19 F HN 0.221 nan 8.300 nan 0.000 0.536 20 P HA 0.158 nan 4.420 nan 0.000 0.277 20 P C 0.247 177.558 177.300 0.018 0.000 1.240 20 P CA -0.256 62.827 63.100 -0.029 0.000 0.798 20 P CB 0.781 32.404 31.700 -0.128 0.000 0.979 21 S N -0.704 115.009 115.700 0.022 0.000 2.650 21 S HA 0.106 4.576 4.470 0.000 0.000 0.219 21 S C 0.470 175.101 174.600 0.052 0.000 0.960 21 S CA 0.132 58.360 58.200 0.047 0.000 0.925 21 S CB -1.054 62.183 63.200 0.063 0.000 0.775 21 S HN 0.611 nan 8.310 nan 0.000 0.525 22 T N -2.171 112.404 114.554 0.037 0.000 2.868 22 T HA 0.512 4.863 4.350 0.000 0.000 0.306 22 T C 0.309 175.025 174.700 0.028 0.000 1.224 22 T CA -1.127 60.998 62.100 0.043 0.000 1.012 22 T CB 1.551 70.455 68.868 0.060 0.000 1.221 22 T HN -0.036 nan 8.240 nan 0.000 0.499 23 R N 0.586 121.108 120.500 0.037 0.000 2.120 23 R HA -0.033 4.307 4.340 0.000 0.000 0.234 23 R C 2.491 178.811 176.300 0.033 0.000 1.123 23 R CA 1.613 57.734 56.100 0.035 0.000 0.975 23 R CB -0.510 29.817 30.300 0.045 0.000 0.866 23 R HN 0.666 nan 8.270 nan 0.000 0.446 24 S N 1.095 116.821 115.700 0.043 0.000 2.353 24 S HA -0.151 4.319 4.470 0.000 0.000 0.222 24 S C 1.338 175.956 174.600 0.030 0.000 1.035 24 S CA 1.601 59.832 58.200 0.052 0.000 1.025 24 S CB -0.257 62.989 63.200 0.077 0.000 0.902 24 S HN 0.340 nan 8.310 nan 0.000 0.440 25 D N 1.678 122.078 120.400 0.000 0.000 2.144 25 D HA 0.031 4.671 4.640 0.000 0.000 0.200 25 D C 2.146 178.380 176.300 -0.110 0.000 0.978 25 D CA 1.107 55.056 54.000 -0.086 0.000 0.833 25 D CB -0.445 40.268 40.800 -0.145 0.000 0.961 25 D HN 0.401 nan 8.370 nan 0.000 0.470 26 A N 1.700 124.471 122.820 -0.082 0.000 1.858 26 A HA -0.194 4.126 4.320 0.000 0.000 0.216 26 A C 2.035 179.605 177.584 -0.025 0.000 1.190 26 A CA 1.295 53.273 52.037 -0.099 0.000 0.617 26 A CB -0.476 18.495 19.000 -0.048 0.000 0.827 26 A HN 0.107 nan 8.150 nan 0.000 0.443 27 N N 0.603 119.317 118.700 0.024 0.000 2.120 27 N HA -0.144 4.597 4.740 0.000 0.000 0.188 27 N C 2.016 177.573 175.510 0.079 0.000 1.024 27 N CA 1.857 54.947 53.050 0.067 0.000 0.852 27 N CB -0.499 38.030 38.487 0.070 0.000 1.003 27 N HN 0.638 nan 8.380 nan 0.000 0.424 28 S N 0.555 116.287 115.700 0.053 0.000 2.507 28 S HA 0.036 4.506 4.470 0.000 0.000 0.235 28 S C 1.258 175.921 174.600 0.105 0.000 0.988 28 S CA 0.468 58.711 58.200 0.071 0.000 0.944 28 S CB -0.148 63.077 63.200 0.042 0.000 0.762 28 S HN 0.166 nan 8.310 nan 0.000 0.526 29 N N 1.232 119.971 118.700 0.066 0.000 2.521 29 N HA 0.105 4.845 4.740 0.000 0.000 0.188 29 N C 1.237 176.920 175.510 0.288 0.000 1.146 29 N CA 0.760 53.879 53.050 0.115 0.000 0.893 29 N CB 0.206 38.518 38.487 -0.292 0.000 0.975 29 N HN 0.349 nan 8.380 nan 0.000 0.451 30 V N -1.240 118.809 119.914 0.224 0.000 0.601 30 V HA -0.363 3.757 4.120 0.000 0.000 0.092 30 V C 0.814 177.078 176.094 0.284 0.000 1.742 30 V CA 1.806 64.242 62.300 0.225 0.000 3.367 30 V CB -1.494 30.439 31.823 0.183 0.000 0.651 30 V HN 0.087 nan 8.190 nan 0.000 0.670 31 V N 4.258 124.387 119.914 0.358 0.000 2.446 31 V HA 0.241 4.361 4.120 0.000 0.000 0.276 31 V C -1.571 174.844 176.094 0.536 0.000 1.030 31 V CA -0.535 61.997 62.300 0.386 0.000 1.033 31 V CB 0.579 32.559 31.823 0.262 0.000 0.993 31 V HN 0.466 nan 8.190 nan 0.000 0.477 32 P HA 0.115 nan 4.420 nan 0.000 0.272 32 P C -0.323 177.253 177.300 0.460 0.000 1.240 32 P CA -0.286 63.045 63.100 0.386 0.000 0.791 32 P CB 0.468 32.372 31.700 0.341 0.000 0.978 33 V N 1.832 121.955 119.914 0.349 0.000 2.479 33 V HA 0.513 4.633 4.120 0.000 0.000 0.281 33 V C 1.007 177.342 176.094 0.400 0.000 1.031 33 V CA 1.167 63.648 62.300 0.302 0.000 1.038 33 V CB -0.153 31.605 31.823 -0.109 0.000 0.981 33 V HN 0.877 nan 8.190 nan 0.000 0.478 34 G N 3.332 112.371 108.800 0.399 0.000 2.600 34 G HA2 0.674 4.634 3.960 0.000 0.000 0.293 34 G HA3 0.674 4.634 3.960 0.000 0.000 0.293 34 G C -1.135 173.762 174.900 -0.006 0.000 1.408 34 G CA 0.020 45.229 45.100 0.182 0.000 0.782 34 G HN 1.188 nan 8.290 nan 0.000 0.482 35 C N -1.245 117.843 119.300 -0.353 0.000 3.239 35 C HA 0.842 5.303 4.460 0.000 0.000 0.317 35 C C -1.343 173.381 174.990 -0.443 0.000 1.310 35 C CA -1.054 57.616 59.018 -0.579 0.000 1.371 35 C CB 0.804 27.746 27.740 -1.329 0.000 1.714 35 C HN 1.018 nan 8.230 nan 0.000 0.473 36 L N 2.521 123.525 121.223 -0.366 0.000 2.296 36 L HA 0.712 5.052 4.340 0.000 0.000 0.286 36 L C -1.082 175.670 176.870 -0.197 0.000 1.023 36 L CA -0.129 54.537 54.840 -0.290 0.000 0.812 36 L CB 1.092 42.973 42.059 -0.297 0.000 1.223 36 L HN 0.863 nan 8.230 nan 0.000 0.421 37 Y N 2.842 122.952 120.300 -0.315 0.000 2.409 37 Y HA 0.603 5.153 4.550 0.000 0.000 0.343 37 Y C -0.547 175.243 175.900 -0.183 0.000 0.973 37 Y CA -0.962 56.935 58.100 -0.338 0.000 1.064 37 Y CB 2.062 40.222 38.460 -0.500 0.000 1.207 37 Y HN 0.616 nan 8.280 nan 0.000 0.452 38 T N 8.870 122.962 114.554 -0.770 0.000 3.253 38 T HA 0.191 4.541 4.350 0.000 0.000 0.391 38 T C -1.906 172.249 174.700 -0.908 0.000 1.527 38 T CA -1.169 60.560 62.100 -0.618 0.000 1.268 38 T CB 0.872 69.502 68.868 -0.396 0.000 1.126 38 T HN 0.529 nan 8.240 nan 0.000 0.620 39 P HA -0.099 nan 4.420 nan 0.000 0.216 39 P C 0.691 177.801 177.300 -0.318 0.000 1.154 39 P CA 1.169 63.881 63.100 -0.646 0.000 0.865 39 P CB 0.316 31.843 31.700 -0.289 0.000 0.789 40 L N -1.001 120.036 121.223 -0.309 0.000 3.034 40 L HA 0.268 4.608 4.340 0.000 0.000 0.245 40 L C 1.140 177.865 176.870 -0.241 0.000 1.295 40 L CA -0.609 54.069 54.840 -0.269 0.000 1.068 40 L CB -0.332 41.492 42.059 -0.391 0.000 1.426 40 L HN -0.029 nan 8.230 nan 0.000 0.531 41 K N 1.907 122.151 120.400 -0.259 0.000 2.469 41 K HA 0.023 4.343 4.320 0.000 0.000 0.274 41 K C -0.148 176.217 176.600 -0.391 0.000 0.983 41 K CA 0.121 56.172 56.287 -0.393 0.000 0.974 41 K CB 0.623 32.756 32.500 -0.611 0.000 0.913 41 K HN 0.249 nan 8.250 nan 0.000 0.493 42 E N 3.239 123.214 120.200 -0.376 0.000 2.130 42 E HA 0.119 4.469 4.350 0.000 0.000 0.284 42 E C -1.161 175.260 176.600 -0.297 0.000 1.018 42 E CA -0.299 55.969 56.400 -0.220 0.000 0.817 42 E CB 0.591 30.208 29.700 -0.138 0.000 1.078 42 E HN 0.347 nan 8.360 nan 0.000 0.396 43 Y N 1.083 121.368 120.300 -0.025 0.000 2.534 43 Y HA 0.115 4.665 4.550 0.000 0.000 0.329 43 Y C 1.361 177.257 175.900 -0.007 0.000 1.154 43 Y CA -0.829 57.263 58.100 -0.015 0.000 1.192 43 Y CB 0.979 39.429 38.460 -0.015 0.000 1.275 43 Y HN 0.457 nan 8.280 nan 0.000 0.491 44 D N 0.707 121.202 120.400 0.158 0.000 2.117 44 D HA -0.134 4.506 4.640 0.000 0.000 0.197 44 D C -0.374 175.972 176.300 0.075 0.000 0.987 44 D CA 1.578 55.630 54.000 0.087 0.000 0.829 44 D CB 0.268 41.108 40.800 0.067 0.000 0.961 44 D HN 0.654 nan 8.370 nan 0.000 0.460 45 E N 0.561 120.809 120.200 0.080 0.000 3.117 45 E HA 0.179 4.530 4.350 0.000 0.000 0.262 45 E C -0.918 175.685 176.600 0.005 0.000 1.202 45 E CA -0.425 55.995 56.400 0.034 0.000 0.853 45 E CB 1.326 31.032 29.700 0.011 0.000 1.426 45 E HN -0.038 nan 8.360 nan 0.000 0.387 46 L N 2.243 123.480 121.223 0.024 0.000 2.462 46 L HA 0.139 4.479 4.340 0.000 0.000 0.272 46 L C -0.073 176.750 176.870 -0.079 0.000 1.166 46 L CA 0.104 54.922 54.840 -0.036 0.000 0.880 46 L CB 0.262 42.346 42.059 0.041 0.000 1.142 46 L HN 0.239 nan 8.230 nan 0.000 0.473 47 N N 4.414 123.035 118.700 -0.131 0.000 2.405 47 N HA 0.158 4.898 4.740 0.000 0.000 0.260 47 N C -0.939 174.460 175.510 -0.186 0.000 1.152 47 N CA -0.075 52.889 53.050 -0.143 0.000 0.948 47 N CB 1.091 39.487 38.487 -0.152 0.000 1.111 47 N HN 0.421 nan 8.380 nan 0.000 0.485 48 V N 1.505 121.312 119.914 -0.179 0.000 2.547 48 V HA 0.639 4.759 4.120 0.000 0.000 0.299 48 V C 0.111 176.018 176.094 -0.311 0.000 1.040 48 V CA -0.885 61.278 62.300 -0.227 0.000 0.913 48 V CB 1.593 33.318 31.823 -0.163 0.000 0.992 48 V HN 0.672 nan 8.190 nan 0.000 0.449 49 A N 5.747 128.289 122.820 -0.464 0.000 2.310 49 A HA 0.744 5.064 4.320 0.000 0.000 0.304 49 A C -2.446 174.739 177.584 -0.667 0.000 1.231 49 A CA -1.631 49.971 52.037 -0.726 0.000 0.799 49 A CB 1.342 19.696 19.000 -1.077 0.000 1.162 49 A HN 0.656 nan 8.150 nan 0.000 0.486 50 P HA 0.140 nan 4.420 nan 0.000 0.285 50 P C -0.972 176.299 177.300 -0.048 0.000 1.521 50 P CA 0.852 63.835 63.100 -0.195 0.000 0.792 50 P CB -0.879 30.788 31.700 -0.056 0.000 1.613 51 Y N -4.129 116.221 120.300 0.083 0.000 2.705 51 Y HA 0.557 5.108 4.550 0.000 0.000 0.332 51 Y C -0.321 175.675 175.900 0.161 0.000 1.221 51 Y CA -2.145 56.018 58.100 0.105 0.000 1.059 51 Y CB 0.087 38.607 38.460 0.100 0.000 1.298 51 Y HN -0.387 nan 8.280 nan 0.000 0.459 52 N N 1.749 120.657 118.700 0.347 0.000 2.525 52 N HA 0.378 5.118 4.740 0.000 0.000 0.271 52 N C -2.736 172.869 175.510 0.158 0.000 1.194 52 N CA -1.749 51.403 53.050 0.171 0.000 0.964 52 N CB 0.190 38.727 38.487 0.083 0.000 1.126 52 N HN 0.415 nan 8.380 nan 0.000 0.452 53 P HA 0.059 nan 4.420 nan 0.000 0.271 53 P C -0.581 176.628 177.300 -0.152 0.000 1.216 53 P CA -0.243 62.609 63.100 -0.413 0.000 0.776 53 P CB 0.540 31.825 31.700 -0.691 0.000 0.881 54 V N 4.702 124.533 119.914 -0.137 0.000 2.387 54 V HA 0.052 4.172 4.120 0.000 0.000 0.260 54 V C 0.402 176.463 176.094 -0.055 0.000 1.054 54 V CA -0.131 62.075 62.300 -0.156 0.000 0.967 54 V CB 0.517 32.082 31.823 -0.429 0.000 1.036 54 V HN 0.252 nan 8.190 nan 0.000 0.481 55 V N 5.012 124.948 119.914 0.037 0.000 2.407 55 V HA 0.193 4.313 4.120 0.000 0.000 0.278 55 V C 0.645 176.871 176.094 0.219 0.000 1.037 55 V CA -0.624 61.735 62.300 0.099 0.000 0.900 55 V CB 1.437 33.275 31.823 0.025 0.000 0.983 55 V HN 1.013 nan 8.190 nan 0.000 0.459 56 C N 4.117 123.591 119.300 0.291 0.000 2.538 56 C HA 0.029 4.489 4.460 0.000 0.000 0.408 56 C C 2.147 177.131 174.990 -0.009 0.000 1.421 56 C CA 0.696 59.795 59.018 0.135 0.000 1.642 56 C CB -0.026 27.769 27.740 0.091 0.000 2.553 56 C HN 1.055 nan 8.230 nan 0.000 0.604 57 S N 3.438 119.077 115.700 -0.101 0.000 2.562 57 S HA 0.162 4.632 4.470 0.000 0.000 0.221 57 S C 1.196 175.736 174.600 -0.099 0.000 0.975 57 S CA 0.602 58.751 58.200 -0.085 0.000 0.918 57 S CB -0.511 62.634 63.200 -0.093 0.000 0.772 57 S HN 1.112 nan 8.310 nan 0.000 0.531 58 G N 2.018 110.748 108.800 -0.118 0.000 2.794 58 G HA2 0.204 4.165 3.960 0.000 0.000 0.249 58 G HA3 0.204 4.165 3.960 0.000 0.000 0.249 58 G C -2.768 172.098 174.900 -0.055 0.000 1.236 58 G CA -0.787 44.259 45.100 -0.090 0.000 0.880 58 G HN 0.244 nan 8.290 nan 0.000 0.586 59 P HA 0.290 nan 4.420 nan 0.000 0.275 59 P C -0.518 176.864 177.300 0.137 0.000 1.276 59 P CA -0.032 63.097 63.100 0.049 0.000 0.782 59 P CB 0.230 31.997 31.700 0.111 0.000 0.851 60 H N -0.574 118.481 119.070 -0.025 0.000 2.776 60 H HA -0.232 4.324 4.556 0.000 0.000 0.300 60 H C 1.109 176.425 175.328 -0.019 0.000 1.161 60 H CA 0.767 56.802 56.048 -0.022 0.000 1.147 60 H CB -1.793 27.957 29.762 -0.020 0.000 1.366 60 H HN 0.506 nan 8.280 nan 0.000 0.397 61 C N -0.015 119.311 119.300 0.043 0.000 2.742 61 C HA 0.134 4.594 4.460 0.000 0.000 0.284 61 C C 1.264 176.267 174.990 0.021 0.000 1.481 61 C CA 0.870 59.907 59.018 0.032 0.000 1.809 61 C CB -0.114 27.635 27.740 0.014 0.000 1.991 61 C HN 0.783 nan 8.230 nan 0.000 0.660 62 K N 1.207 121.612 120.400 0.009 0.000 3.088 62 K HA -0.141 4.179 4.320 0.000 0.000 0.273 62 K C 0.244 176.867 176.600 0.039 0.000 1.111 62 K CA 0.328 56.624 56.287 0.015 0.000 0.803 62 K CB -1.933 30.564 32.500 -0.005 0.000 1.226 62 K HN 0.567 nan 8.250 nan 0.000 0.485 63 S N 0.208 115.946 115.700 0.063 0.000 2.608 63 S HA 0.422 4.893 4.470 0.000 0.000 0.261 63 S C 0.758 175.430 174.600 0.119 0.000 1.314 63 S CA -0.413 57.837 58.200 0.083 0.000 0.992 63 S CB 0.888 64.142 63.200 0.090 0.000 0.935 63 S HN 0.210 nan 8.310 nan 0.000 0.564 64 I N 1.489 122.117 120.570 0.096 0.000 2.525 64 I HA 0.282 4.452 4.170 0.000 0.000 0.301 64 I C -0.304 175.823 176.117 0.018 0.000 0.992 64 I CA -0.964 60.365 61.300 0.048 0.000 1.162 64 I CB 1.262 39.256 38.000 -0.009 0.000 1.332 64 I HN 0.383 nan 8.210 nan 0.000 0.458 65 L N 7.462 128.567 121.223 -0.196 0.000 2.578 65 L HA 0.037 4.377 4.340 0.000 0.000 0.279 65 L C -0.060 176.742 176.870 -0.113 0.000 1.227 65 L CA 0.875 55.434 54.840 -0.468 0.000 0.900 65 L CB -0.485 41.105 42.059 -0.781 0.000 1.144 65 L HN 0.829 nan 8.230 nan 0.000 0.496 66 N N 2.944 121.611 118.700 -0.054 0.000 2.972 66 N HA 0.440 5.180 4.740 0.000 0.000 0.262 66 N C -2.732 172.803 175.510 0.042 0.000 1.478 66 N CA -1.555 51.535 53.050 0.066 0.000 0.841 66 N CB 1.140 39.735 38.487 0.180 0.000 1.512 66 N HN 0.150 nan 8.380 nan 0.000 0.548 67 P HA 0.016 nan 4.420 nan 0.000 0.228 67 P C 0.191 177.377 177.300 -0.191 0.000 1.151 67 P CA 1.055 64.084 63.100 -0.119 0.000 0.770 67 P CB -0.190 31.378 31.700 -0.220 0.000 0.786 68 Y N -2.317 118.023 120.300 0.066 0.000 2.461 68 Y HA 0.108 4.658 4.550 0.000 0.000 0.277 68 Y C 0.926 176.836 175.900 0.017 0.000 1.182 68 Y CA -0.516 57.633 58.100 0.082 0.000 1.276 68 Y CB -0.720 37.846 38.460 0.176 0.000 1.087 68 Y HN -0.122 nan 8.280 nan 0.000 0.519 69 C N 1.241 120.622 119.300 0.135 0.000 2.435 69 C HA 0.399 4.860 4.460 0.000 0.000 0.375 69 C C 0.680 175.746 174.990 0.127 0.000 1.281 69 C CA -1.307 57.806 59.018 0.157 0.000 1.963 69 C CB 0.023 27.895 27.740 0.220 0.000 2.490 69 C HN 0.010 nan 8.230 nan 0.000 0.557 70 V N 6.184 126.176 119.914 0.130 0.000 2.405 70 V HA 0.177 4.297 4.120 0.000 0.000 0.264 70 V C 0.450 176.620 176.094 0.128 0.000 1.048 70 V CA 0.078 62.439 62.300 0.102 0.000 0.966 70 V CB 0.042 31.913 31.823 0.080 0.000 1.015 70 V HN 0.609 nan 8.190 nan 0.000 0.477 71 I N 4.188 124.821 120.570 0.104 0.000 2.428 71 I HA 0.285 4.455 4.170 0.000 0.000 0.289 71 I C 0.237 176.404 176.117 0.084 0.000 1.019 71 I CA 0.112 61.480 61.300 0.114 0.000 1.351 71 I CB 1.384 39.430 38.000 0.078 0.000 1.412 71 I HN 0.590 nan 8.210 nan 0.000 0.513 72 D N 8.643 129.097 120.400 0.089 0.000 2.460 72 D HA 0.302 4.942 4.640 0.000 0.000 0.232 72 D C -1.935 174.399 176.300 0.056 0.000 1.079 72 D CA -1.932 52.106 54.000 0.062 0.000 0.864 72 D CB 2.203 43.036 40.800 0.055 0.000 1.048 72 D HN 0.125 nan 8.370 nan 0.000 0.523 73 P HA -0.205 nan 4.420 nan 0.000 0.213 73 P C 1.393 178.715 177.300 0.036 0.000 1.170 73 P CA 1.768 64.890 63.100 0.037 0.000 0.902 73 P CB 0.190 31.907 31.700 0.027 0.000 0.789 74 R N -0.327 120.192 120.500 0.032 0.000 2.113 74 R HA -0.196 4.144 4.340 0.000 0.000 0.231 74 R C 2.048 178.371 176.300 0.038 0.000 1.129 74 R CA 2.237 58.355 56.100 0.030 0.000 0.915 74 R CB -1.857 28.457 30.300 0.024 0.000 0.837 74 R HN 0.089 nan 8.270 nan 0.000 0.430 75 N N 1.018 119.742 118.700 0.040 0.000 2.520 75 N HA -0.132 4.608 4.740 0.000 0.000 0.185 75 N C -0.438 175.114 175.510 0.070 0.000 1.068 75 N CA 1.196 54.275 53.050 0.048 0.000 0.911 75 N CB 0.066 38.575 38.487 0.037 0.000 0.961 75 N HN 0.511 nan 8.380 nan 0.000 0.446 76 S N -2.030 113.708 115.700 0.063 0.000 3.631 76 S HA -0.214 4.256 4.470 0.000 0.000 0.366 76 S C -0.106 174.538 174.600 0.073 0.000 0.993 76 S CA 0.451 58.689 58.200 0.063 0.000 1.167 76 S CB -2.864 60.371 63.200 0.059 0.000 0.909 76 S HN 0.568 nan 8.310 nan 0.000 0.478 77 S N -0.171 115.585 115.700 0.093 0.000 2.661 77 S HA 0.914 5.385 4.470 0.000 0.000 0.285 77 S C -0.583 174.132 174.600 0.192 0.000 1.138 77 S CA -0.516 57.749 58.200 0.109 0.000 0.855 77 S CB 1.430 64.649 63.200 0.032 0.000 1.136 77 S HN 1.490 nan 8.310 nan 0.000 0.484 78 W N 0.743 122.023 121.300 -0.034 0.000 2.883 78 W HA 0.697 5.358 4.660 0.000 0.000 0.335 78 W C -0.952 175.549 176.519 -0.030 0.000 1.083 78 W CA -0.907 56.418 57.345 -0.033 0.000 1.233 78 W CB 0.917 30.347 29.460 -0.049 0.000 1.412 78 W HN 0.935 nan 8.180 nan 0.000 0.490 79 S N 2.167 117.919 115.700 0.086 0.000 2.462 79 S HA 0.382 4.852 4.470 0.000 0.000 0.294 79 S C -0.277 174.337 174.600 0.022 0.000 1.144 79 S CA -0.483 57.674 58.200 -0.072 0.000 1.088 79 S CB 1.218 64.397 63.200 -0.034 0.000 1.009 79 S HN 0.710 nan 8.310 nan 0.000 0.484 80 C N 5.840 125.068 119.300 -0.120 0.000 2.629 80 C HA 0.488 4.949 4.460 0.000 0.000 0.410 80 C C -1.362 173.586 174.990 -0.070 0.000 1.339 80 C CA -1.467 57.551 59.018 0.000 0.000 1.810 80 C CB -0.069 27.620 27.740 -0.086 0.000 2.549 80 C HN 0.825 nan 8.230 nan 0.000 0.589 81 P HA -0.025 nan 4.420 nan 0.000 0.233 81 P C 1.243 178.304 177.300 -0.398 0.000 1.167 81 P CA 0.939 63.738 63.100 -0.502 0.000 0.770 81 P CB 0.033 31.150 31.700 -0.973 0.000 0.837 82 I N -0.746 119.731 120.570 -0.154 0.000 2.385 82 I HA -0.065 4.105 4.170 0.000 0.000 0.244 82 I C 2.125 178.237 176.117 -0.009 0.000 1.089 82 I CA 1.332 62.609 61.300 -0.039 0.000 1.410 82 I CB -1.519 36.483 38.000 0.004 0.000 1.117 82 I HN 0.144 nan 8.210 nan 0.000 0.429 83 C N -0.516 118.770 119.300 -0.024 0.000 3.070 83 C HA 0.365 4.825 4.460 0.000 0.000 0.280 83 C C 0.912 175.883 174.990 -0.032 0.000 1.264 83 C CA -0.387 58.622 59.018 -0.016 0.000 1.690 83 C CB -0.665 27.066 27.740 -0.016 0.000 2.049 83 C HN 0.618 nan 8.230 nan 0.000 0.636 84 N N 1.580 120.248 118.700 -0.053 0.000 2.829 84 N HA -0.148 4.592 4.740 0.000 0.000 0.250 84 N C 0.004 175.465 175.510 -0.081 0.000 1.090 84 N CA 1.428 54.445 53.050 -0.055 0.000 0.781 84 N CB -1.784 36.691 38.487 -0.022 0.000 1.124 84 N HN 0.935 nan 8.380 nan 0.000 0.559 85 S N -0.735 114.891 115.700 -0.123 0.000 2.617 85 S HA 0.564 5.035 4.470 0.000 0.000 0.283 85 S C 0.346 174.797 174.600 -0.250 0.000 1.189 85 S CA -0.836 57.269 58.200 -0.158 0.000 1.036 85 S CB 2.564 65.673 63.200 -0.152 0.000 1.014 85 S HN 0.195 nan 8.310 nan 0.000 0.522 86 R N 1.693 122.061 120.500 -0.220 0.000 2.438 86 R HA 0.324 4.664 4.340 0.000 0.000 0.287 86 R C -0.539 175.527 176.300 -0.389 0.000 1.077 86 R CA -0.174 55.770 56.100 -0.261 0.000 1.034 86 R CB 0.300 30.511 30.300 -0.149 0.000 0.993 86 R HN 0.665 nan 8.270 nan 0.000 0.459 87 N N 1.242 119.573 118.700 -0.617 0.000 2.238 87 N HA 0.075 4.816 4.740 0.000 0.000 0.302 87 N C -1.216 174.090 175.510 -0.341 0.000 1.072 87 N CA -0.727 51.899 53.050 -0.707 0.000 0.792 87 N CB 1.743 39.221 38.487 -1.681 0.000 1.425 87 N HN 0.512 nan 8.380 nan 0.000 0.478 88 H N 1.441 120.409 119.070 -0.171 0.000 2.878 88 H HA 0.206 4.762 4.556 0.000 0.000 0.290 88 H C -0.418 174.986 175.328 0.127 0.000 1.065 88 H CA -0.219 55.818 56.048 -0.017 0.000 1.477 88 H CB 0.275 30.027 29.762 -0.016 0.000 1.484 88 H HN 0.326 nan 8.280 nan 0.000 0.504 89 L N 8.884 130.021 121.223 -0.144 0.000 2.462 89 L HA 0.239 4.580 4.340 0.000 0.000 0.272 89 L C -2.066 174.604 176.870 -0.333 0.000 1.166 89 L CA -1.413 53.397 54.840 -0.049 0.000 0.880 89 L CB 0.323 42.403 42.059 0.034 0.000 1.142 89 L HN 0.648 nan 8.230 nan 0.000 0.473 90 P HA 0.088 nan 4.420 nan 0.000 0.269 90 P C -2.306 174.984 177.300 -0.018 0.000 1.209 90 P CA -1.149 61.882 63.100 -0.115 0.000 0.776 90 P CB 0.180 31.835 31.700 -0.075 0.000 0.876 91 P HA -0.235 nan 4.420 nan 0.000 0.219 91 P C 1.797 179.126 177.300 0.049 0.000 1.161 91 P CA 1.835 64.953 63.100 0.031 0.000 0.909 91 P CB -0.181 31.543 31.700 0.041 0.000 0.793 92 Q N -2.381 117.461 119.800 0.071 0.000 2.308 92 Q HA -0.205 4.135 4.340 0.000 0.000 0.209 92 Q C 1.038 176.995 176.000 -0.071 0.000 0.985 92 Q CA 1.256 57.057 55.803 -0.004 0.000 0.881 92 Q CB -0.304 28.413 28.738 -0.034 0.000 0.917 92 Q HN 0.364 nan 8.270 nan 0.000 0.443 93 Y N -1.209 119.025 120.300 -0.109 0.000 2.457 93 Y HA 0.170 4.720 4.550 0.000 0.000 0.263 93 Y C 0.216 176.071 175.900 -0.075 0.000 1.164 93 Y CA 0.112 58.148 58.100 -0.106 0.000 1.274 93 Y CB 0.729 39.111 38.460 -0.130 0.000 1.097 93 Y HN -0.177 nan 8.280 nan 0.000 0.523 94 T N 3.249 117.841 114.554 0.063 0.000 2.837 94 T HA 0.425 4.776 4.350 0.000 0.000 0.285 94 T C -0.135 174.568 174.700 0.006 0.000 0.984 94 T CA -0.596 61.523 62.100 0.032 0.000 1.049 94 T CB 0.904 69.786 68.868 0.024 0.000 0.947 94 T HN 0.375 nan 8.240 nan 0.000 0.472 100 N N 1.891 120.570 118.700 -0.034 0.000 2.715 100 N HA 0.080 4.820 4.740 0.000 0.000 0.254 100 N C 0.152 175.626 175.510 -0.059 0.000 1.306 100 N CA 0.646 53.669 53.050 -0.044 0.000 0.956 100 N CB -0.121 38.339 38.487 -0.046 0.000 1.296 100 N HN 0.273 nan 8.380 nan 0.000 0.512 101 M N 0.707 120.277 119.600 -0.051 0.000 2.232 101 M HA 0.144 4.624 4.480 0.000 0.000 0.321 101 M C -1.936 174.321 176.300 -0.071 0.000 1.101 101 M CA -0.993 54.273 55.300 -0.057 0.000 1.181 101 M CB -0.292 32.286 32.600 -0.036 0.000 1.432 101 M HN -0.160 nan 8.290 nan 0.000 0.457 102 P HA 0.170 nan 4.420 nan 0.000 0.281 102 P C 0.325 177.628 177.300 0.004 0.000 1.252 102 P CA -0.223 62.830 63.100 -0.078 0.000 0.778 102 P CB 0.559 32.165 31.700 -0.156 0.000 0.895 103 L N 2.343 123.574 121.223 0.014 0.000 2.051 103 L HA -0.258 4.083 4.340 0.000 0.000 0.214 103 L C 2.265 179.117 176.870 -0.030 0.000 1.076 103 L CA 1.649 56.472 54.840 -0.028 0.000 0.758 103 L CB -0.770 41.244 42.059 -0.076 0.000 0.890 103 L HN 0.550 nan 8.230 nan 0.000 0.433 104 E N 0.675 120.888 120.200 0.022 0.000 2.333 104 E HA -0.212 4.138 4.350 0.000 0.000 0.198 104 E C 1.912 178.528 176.600 0.027 0.000 1.007 104 E CA 1.176 57.597 56.400 0.034 0.000 0.845 104 E CB -0.322 29.489 29.700 0.185 0.000 0.766 104 E HN 0.584 nan 8.360 nan 0.000 0.507 105 L N -0.060 121.172 121.223 0.014 0.000 2.529 105 L HA 0.048 4.388 4.340 0.000 0.000 0.223 105 L C 2.352 179.197 176.870 -0.042 0.000 1.113 105 L CA 0.388 55.218 54.840 -0.016 0.000 0.861 105 L CB 0.018 42.072 42.059 -0.009 0.000 1.012 105 L HN 0.046 nan 8.230 nan 0.000 0.461 106 Q N -1.172 118.603 119.800 -0.042 0.000 2.462 106 Q HA 0.149 4.489 4.340 0.000 0.000 0.224 106 Q C 0.394 176.357 176.000 -0.061 0.000 0.911 106 Q CA 0.141 55.910 55.803 -0.056 0.000 0.925 106 Q CB 0.660 29.367 28.738 -0.051 0.000 1.063 106 Q HN 0.231 nan 8.270 nan 0.000 0.572 107 S N 1.308 116.973 115.700 -0.059 0.000 2.452 107 S HA 0.086 4.557 4.470 0.000 0.000 0.284 107 S C 0.951 175.537 174.600 -0.023 0.000 1.171 107 S CA -0.324 57.838 58.200 -0.063 0.000 1.064 107 S CB 1.407 64.547 63.200 -0.099 0.000 0.967 107 S HN 0.374 nan 8.310 nan 0.000 0.484 108 T N -0.042 114.514 114.554 0.004 0.000 2.995 108 T HA -0.015 4.336 4.350 0.000 0.000 0.269 108 T C 0.675 175.429 174.700 0.091 0.000 1.091 108 T CA 0.680 62.836 62.100 0.094 0.000 1.128 108 T CB -0.175 68.785 68.868 0.153 0.000 0.891 108 T HN 0.485 nan 8.240 nan 0.000 0.492 109 T N 1.854 116.407 114.554 -0.002 0.000 2.815 109 T HA 0.724 5.074 4.350 0.000 0.000 0.289 109 T C -0.911 173.723 174.700 -0.110 0.000 1.000 109 T CA -0.626 61.457 62.100 -0.029 0.000 0.958 109 T CB 1.460 70.259 68.868 -0.114 0.000 0.944 109 T HN 0.406 nan 8.240 nan 0.000 0.442 110 I N 1.904 122.440 120.570 -0.057 0.000 3.102 110 I HA 0.603 4.773 4.170 0.000 0.000 0.310 110 I C -1.536 174.516 176.117 -0.108 0.000 1.246 110 I CA -0.886 60.322 61.300 -0.154 0.000 0.979 110 I CB 2.546 40.390 38.000 -0.260 0.000 1.267 110 I HN 0.532 nan 8.210 nan 0.000 0.451 111 E N 3.343 123.428 120.200 -0.191 0.000 2.222 111 E HA 0.438 4.789 4.350 0.000 0.000 0.267 111 E C -2.070 174.388 176.600 -0.238 0.000 0.884 111 E CA -0.530 55.828 56.400 -0.069 0.000 0.764 111 E CB 1.664 31.370 29.700 0.011 0.000 1.169 111 E HN 0.468 nan 8.360 nan 0.000 0.413 112 Y N 2.572 122.832 120.300 -0.066 0.000 2.446 112 Y HA 0.440 4.990 4.550 0.000 0.000 0.338 112 Y C 0.076 175.892 175.900 -0.140 0.000 1.055 112 Y CA -0.821 57.201 58.100 -0.131 0.000 1.101 112 Y CB 1.381 39.793 38.460 -0.080 0.000 1.221 112 Y HN 0.402 nan 8.280 nan 0.000 0.460 113 I N 2.991 123.550 120.570 -0.018 0.000 2.337 113 I HA 0.181 4.351 4.170 0.000 0.000 0.285 113 I C -0.043 176.063 176.117 -0.018 0.000 1.041 113 I CA -0.339 60.920 61.300 -0.069 0.000 1.199 113 I CB 0.786 38.714 38.000 -0.121 0.000 1.370 113 I HN 0.654 nan 8.210 nan 0.000 0.470 114 T N 4.296 118.839 114.554 -0.018 0.000 2.855 114 T HA -0.009 4.341 4.350 0.000 0.000 0.314 114 T C 1.278 175.975 174.700 -0.005 0.000 1.077 114 T CA -0.080 62.017 62.100 -0.003 0.000 1.095 114 T CB 0.336 69.189 68.868 -0.024 0.000 0.987 114 T HN 0.692 nan 8.240 nan 0.000 0.546 115 N N 0.948 119.655 118.700 0.012 0.000 2.268 115 N HA -0.001 4.739 4.740 0.000 0.000 0.204 115 N C 0.021 175.533 175.510 0.004 0.000 1.124 115 N CA -0.158 52.899 53.050 0.012 0.000 0.838 115 N CB 0.115 38.619 38.487 0.028 0.000 0.994 115 N HN 0.447 nan 8.380 nan 0.000 0.489 116 K N 2.410 122.808 120.400 -0.004 0.000 2.312 116 K HA 0.227 4.548 4.320 0.000 0.000 0.287 116 K C -2.275 174.319 176.600 -0.009 0.000 1.062 116 K CA -1.572 54.712 56.287 -0.005 0.000 0.934 116 K CB 0.842 33.337 32.500 -0.009 0.000 1.027 116 K HN 0.069 nan 8.250 nan 0.000 0.478 117 P HA -0.020 nan 4.420 nan 0.000 0.272 117 P C 0.406 177.706 177.300 -0.000 0.000 1.223 117 P CA -0.347 62.752 63.100 -0.000 0.000 0.784 117 P CB 1.257 32.961 31.700 0.007 0.000 0.923 118 V N 1.053 120.967 119.914 0.001 0.000 2.492 118 V HA -0.125 3.996 4.120 0.000 0.000 0.241 118 V C 2.043 178.143 176.094 0.010 0.000 1.041 118 V CA 2.453 64.755 62.300 0.003 0.000 1.057 118 V CB -1.747 30.077 31.823 0.002 0.000 0.711 118 V HN 0.939 nan 8.190 nan 0.000 0.468 119 T N -2.672 111.892 114.554 0.017 0.000 9.351 119 T HA -0.249 4.101 4.350 0.000 0.000 0.379 119 T C 0.091 174.811 174.700 0.033 0.000 1.718 119 T CA 1.103 63.219 62.100 0.026 0.000 2.622 119 T CB -1.988 66.898 68.868 0.029 0.000 2.809 119 T HN 0.450 nan 8.240 nan 0.000 1.195 120 V N 2.678 122.602 119.914 0.017 0.000 2.525 120 V HA 0.614 4.734 4.120 0.000 0.000 0.299 120 V C -2.210 173.857 176.094 -0.044 0.000 1.034 120 V CA -1.880 60.420 62.300 0.001 0.000 0.863 120 V CB 1.934 33.761 31.823 0.008 0.000 0.999 120 V HN 0.168 nan 8.190 nan 0.000 0.423 121 P HA 0.249 nan 4.420 nan 0.000 0.271 121 P C -2.606 174.621 177.300 -0.121 0.000 1.244 121 P CA -1.067 62.019 63.100 -0.025 0.000 0.793 121 P CB -0.101 31.613 31.700 0.023 0.000 0.984 122 P HA 0.173 nan 4.420 nan 0.000 0.271 122 P C -0.636 176.459 177.300 -0.342 0.000 1.218 122 P CA 0.478 63.405 63.100 -0.289 0.000 0.780 122 P CB 0.598 32.290 31.700 -0.013 0.000 0.901 123 I N 2.584 122.747 120.570 -0.678 0.000 2.441 123 I HA 0.373 4.543 4.170 0.000 0.000 0.295 123 I C -0.268 175.420 176.117 -0.714 0.000 0.994 123 I CA -0.722 60.251 61.300 -0.545 0.000 1.144 123 I CB 1.008 38.585 38.000 -0.705 0.000 1.314 123 I HN 0.167 nan 8.210 nan 0.000 0.445 124 F N 6.018 125.904 119.950 -0.108 0.000 2.553 124 F HA 0.347 4.874 4.527 0.000 0.000 0.335 124 F C -0.541 175.150 175.800 -0.182 0.000 1.148 124 F CA -0.483 57.419 58.000 -0.163 0.000 0.963 124 F CB 1.357 40.267 39.000 -0.150 0.000 1.217 124 F HN 0.224 nan 8.300 nan 0.000 0.441 125 F N 5.421 125.278 119.950 -0.155 0.000 2.293 125 F HA 0.509 5.037 4.527 0.000 0.000 0.370 125 F C -0.946 174.829 175.800 -0.041 0.000 1.090 125 F CA -2.230 55.778 58.000 0.013 0.000 1.133 125 F CB -0.025 39.041 39.000 0.111 0.000 1.360 125 F HN 0.174 nan 8.300 nan 0.000 0.489 126 F N 4.406 124.775 119.950 0.699 0.000 2.412 126 F HA 0.471 4.998 4.527 0.000 0.000 0.348 126 F C 0.088 176.166 175.800 0.464 0.000 1.102 126 F CA -0.669 57.663 58.000 0.553 0.000 1.196 126 F CB 0.944 40.263 39.000 0.531 0.000 1.144 126 F HN -0.020 nan 8.300 nan 0.000 0.541 127 V N 4.377 124.605 119.914 0.524 0.000 2.380 127 V HA 0.349 4.469 4.120 0.000 0.000 0.286 127 V C -0.564 175.853 176.094 0.539 0.000 1.015 127 V CA -0.751 61.786 62.300 0.394 0.000 0.834 127 V CB 1.380 33.282 31.823 0.132 0.000 1.009 127 V HN 0.509 nan 8.190 nan 0.000 0.428 128 V N 3.428 123.625 119.914 0.472 0.000 2.370 128 V HA 0.362 4.483 4.120 0.000 0.000 0.283 128 V C -0.143 175.957 176.094 0.011 0.000 1.023 128 V CA -0.510 61.963 62.300 0.289 0.000 0.857 128 V CB 1.908 33.797 31.823 0.110 0.000 0.985 128 V HN 0.935 nan 8.190 nan 0.000 0.443 129 D N 4.036 124.347 120.400 -0.149 0.000 2.317 129 D HA 0.237 4.877 4.640 0.000 0.000 0.252 129 D C 0.696 176.814 176.300 -0.303 0.000 1.174 129 D CA 0.025 53.652 54.000 -0.622 0.000 0.866 129 D CB 1.242 41.837 40.800 -0.343 0.000 1.127 129 D HN 0.433 nan 8.370 nan 0.000 0.467 130 L N 2.618 123.662 121.223 -0.298 0.000 2.509 130 L HA 0.044 4.384 4.340 0.000 0.000 0.222 130 L C 1.589 178.411 176.870 -0.079 0.000 1.123 130 L CA 0.427 55.189 54.840 -0.131 0.000 0.856 130 L CB -0.259 41.759 42.059 -0.069 0.000 0.985 130 L HN 0.522 nan 8.230 nan 0.000 0.456 131 T N -1.824 112.667 114.554 -0.105 0.000 4.210 131 T HA 0.128 4.478 4.350 0.000 0.000 0.229 131 T C 0.452 175.153 174.700 0.001 0.000 0.813 131 T CA -0.298 61.781 62.100 -0.034 0.000 0.888 131 T CB -0.841 68.008 68.868 -0.032 0.000 1.327 131 T HN 0.238 nan 8.240 nan 0.000 0.739 132 S N -0.406 115.301 115.700 0.013 0.000 2.568 132 S HA 0.512 4.983 4.470 0.000 0.000 0.293 132 S C -0.515 174.115 174.600 0.050 0.000 1.089 132 S CA -1.213 57.013 58.200 0.045 0.000 0.945 132 S CB 1.516 64.759 63.200 0.071 0.000 1.077 132 S HN 0.507 nan 8.310 nan 0.000 0.485 133 E N 1.197 121.433 120.200 0.061 0.000 2.467 133 E HA 0.048 4.398 4.350 0.000 0.000 0.264 133 E C 0.845 177.470 176.600 0.041 0.000 1.020 133 E CA 0.304 56.740 56.400 0.060 0.000 0.945 133 E CB 0.295 30.031 29.700 0.060 0.000 0.942 133 E HN 0.714 nan 8.360 nan 0.000 0.449 134 T N 2.381 116.953 114.554 0.031 0.000 2.564 134 T HA -0.340 4.010 4.350 0.000 0.000 0.264 134 T C 1.681 176.380 174.700 -0.001 0.000 1.100 134 T CA 2.038 64.140 62.100 0.004 0.000 1.171 134 T CB -0.271 68.590 68.868 -0.011 0.000 0.863 134 T HN 0.680 nan 8.240 nan 0.000 0.430 135 E N 0.940 121.145 120.200 0.009 0.000 2.058 135 E HA -0.240 4.110 4.350 0.000 0.000 0.194 135 E C 2.382 178.997 176.600 0.024 0.000 0.997 135 E CA 1.232 57.640 56.400 0.013 0.000 0.801 135 E CB -0.181 29.533 29.700 0.023 0.000 0.746 135 E HN 0.310 nan 8.360 nan 0.000 0.450 136 N N 0.434 119.163 118.700 0.047 0.000 2.036 136 N HA -0.195 4.546 4.740 0.000 0.000 0.195 136 N C 1.991 177.538 175.510 0.062 0.000 1.037 136 N CA 1.382 54.486 53.050 0.091 0.000 0.855 136 N CB -0.320 38.236 38.487 0.114 0.000 1.033 136 N HN 0.251 nan 8.380 nan 0.000 0.423 137 L N 1.531 122.754 121.223 0.000 0.000 2.093 137 L HA -0.083 4.257 4.340 0.000 0.000 0.208 137 L C 1.531 178.324 176.870 -0.129 0.000 1.085 137 L CA 1.787 56.569 54.840 -0.097 0.000 0.755 137 L CB -0.716 41.298 42.059 -0.075 0.000 0.904 137 L HN 0.048 nan 8.230 nan 0.000 0.435 138 D N -1.144 119.210 120.400 -0.076 0.000 2.144 138 D HA -0.172 4.468 4.640 0.000 0.000 0.200 138 D C 2.269 178.519 176.300 -0.083 0.000 0.978 138 D CA 1.392 55.344 54.000 -0.080 0.000 0.833 138 D CB 0.042 40.812 40.800 -0.051 0.000 0.961 138 D HN 0.421 nan 8.370 nan 0.000 0.470 139 S N 0.207 115.877 115.700 -0.050 0.000 2.355 139 S HA -0.122 4.349 4.470 0.000 0.000 0.222 139 S C 1.884 176.437 174.600 -0.079 0.000 1.031 139 S CA 0.399 58.589 58.200 -0.017 0.000 0.993 139 S CB -0.247 62.988 63.200 0.058 0.000 0.859 139 S HN 0.111 nan 8.310 nan 0.000 0.453 140 L N 1.743 122.840 121.223 -0.210 0.000 2.079 140 L HA -0.022 4.318 4.340 0.000 0.000 0.210 140 L C 2.095 178.687 176.870 -0.463 0.000 1.081 140 L CA 1.904 56.441 54.840 -0.505 0.000 0.752 140 L CB -0.687 40.813 42.059 -0.932 0.000 0.896 140 L HN 0.213 nan 8.230 nan 0.000 0.433 141 K N -0.530 119.671 120.400 -0.331 0.000 2.057 141 K HA -0.158 4.162 4.320 0.000 0.000 0.207 141 K C 1.941 178.400 176.600 -0.235 0.000 1.049 141 K CA 1.770 57.884 56.287 -0.288 0.000 0.931 141 K CB -0.151 32.224 32.500 -0.207 0.000 0.714 141 K HN 0.476 nan 8.250 nan 0.000 0.440 142 E N 0.296 120.398 120.200 -0.165 0.000 2.031 142 E HA -0.168 4.183 4.350 0.000 0.000 0.193 142 E C 2.173 178.701 176.600 -0.121 0.000 0.994 142 E CA 1.356 57.687 56.400 -0.114 0.000 0.800 142 E CB -0.086 29.578 29.700 -0.060 0.000 0.752 142 E HN 0.152 nan 8.360 nan 0.000 0.447 143 S N 1.272 116.901 115.700 -0.119 0.000 2.365 143 S HA -0.196 4.274 4.470 0.000 0.000 0.221 143 S C 2.136 176.656 174.600 -0.132 0.000 1.037 143 S CA 1.156 59.301 58.200 -0.091 0.000 1.060 143 S CB -0.400 62.729 63.200 -0.118 0.000 0.974 143 S HN 0.200 nan 8.310 nan 0.000 0.427 144 I N 1.421 121.772 120.570 -0.364 0.000 2.145 144 I HA -0.259 3.911 4.170 0.000 0.000 0.244 144 I C 2.155 178.079 176.117 -0.321 0.000 1.075 144 I CA 1.475 62.522 61.300 -0.422 0.000 1.332 144 I CB -0.556 37.039 38.000 -0.675 0.000 1.033 144 I HN 0.269 nan 8.210 nan 0.000 0.410 145 I N 0.255 120.663 120.570 -0.269 0.000 2.208 145 I HA -0.291 3.879 4.170 0.000 0.000 0.245 145 I C 2.541 178.558 176.117 -0.166 0.000 1.097 145 I CA 1.652 62.828 61.300 -0.207 0.000 1.363 145 I CB -0.607 37.294 38.000 -0.166 0.000 1.051 145 I HN 0.296 nan 8.210 nan 0.000 0.413 146 T N 0.169 114.641 114.554 -0.136 0.000 2.737 146 T HA -0.162 4.188 4.350 0.000 0.000 0.265 146 T C 2.085 176.673 174.700 -0.187 0.000 1.038 146 T CA 1.781 63.811 62.100 -0.118 0.000 1.144 146 T CB -0.358 68.468 68.868 -0.069 0.000 0.866 146 T HN 0.548 nan 8.240 nan 0.000 0.434 147 S N 1.994 117.550 115.700 -0.241 0.000 2.400 147 S HA -0.058 4.412 4.470 0.000 0.000 0.232 147 S C 2.075 176.361 174.600 -0.524 0.000 1.025 147 S CA 0.888 58.739 58.200 -0.582 0.000 0.993 147 S CB -0.915 61.824 63.200 -0.769 0.000 0.808 147 S HN 0.446 nan 8.310 nan 0.000 0.478 148 L N 2.099 123.138 121.223 -0.308 0.000 2.083 148 L HA -0.069 4.271 4.340 0.000 0.000 0.209 148 L C 2.927 179.700 176.870 -0.162 0.000 1.083 148 L CA 1.438 56.157 54.840 -0.202 0.000 0.752 148 L CB -0.779 41.194 42.059 -0.143 0.000 0.899 148 L HN 0.579 nan 8.230 nan 0.000 0.433 149 S N -0.767 114.842 115.700 -0.152 0.000 2.561 149 S HA 0.008 4.478 4.470 0.000 0.000 0.225 149 S C 1.600 176.137 174.600 -0.106 0.000 0.977 149 S CA 0.385 58.524 58.200 -0.103 0.000 0.926 149 S CB -0.250 62.901 63.200 -0.081 0.000 0.769 149 S HN 0.401 nan 8.310 nan 0.000 0.533 150 L N 0.390 121.512 121.223 -0.168 0.000 2.607 150 L HA 0.412 4.752 4.340 0.000 0.000 0.228 150 L C 0.282 177.099 176.870 -0.088 0.000 1.123 150 L CA 0.019 54.782 54.840 -0.129 0.000 0.890 150 L CB -0.060 41.892 42.059 -0.179 0.000 1.103 150 L HN 0.259 nan 8.230 nan 0.000 0.468 151 L N 0.306 121.455 121.223 -0.123 0.000 2.343 151 L HA 0.381 4.721 4.340 0.000 0.000 0.275 151 L C -2.003 174.873 176.870 0.010 0.000 1.056 151 L CA -2.002 52.794 54.840 -0.073 0.000 0.804 151 L CB 0.789 42.736 42.059 -0.186 0.000 1.203 151 L HN -0.213 nan 8.230 nan 0.000 0.440 152 P HA 0.048 nan 4.420 nan 0.000 0.268 152 P C -2.153 175.199 177.300 0.085 0.000 1.208 152 P CA -0.804 62.359 63.100 0.104 0.000 0.777 152 P CB 0.085 31.887 31.700 0.170 0.000 0.875 153 P HA -0.139 nan 4.420 nan 0.000 0.220 153 P C 0.874 178.222 177.300 0.080 0.000 1.148 153 P CA 1.277 64.416 63.100 0.064 0.000 0.803 153 P CB -0.186 31.546 31.700 0.053 0.000 0.782 154 N N -0.455 118.302 118.700 0.095 0.000 2.412 154 N HA 0.045 4.785 4.740 0.000 0.000 0.184 154 N C 0.464 176.043 175.510 0.114 0.000 1.101 154 N CA 0.042 53.149 53.050 0.095 0.000 0.881 154 N CB -0.959 37.581 38.487 0.088 0.000 0.969 154 N HN -0.085 nan 8.380 nan 0.000 0.459 155 A N 0.967 123.879 122.820 0.153 0.000 2.555 155 A HA 0.263 4.583 4.320 0.000 0.000 0.233 155 A C 0.137 177.831 177.584 0.185 0.000 1.060 155 A CA -0.109 52.059 52.037 0.217 0.000 0.759 155 A CB -0.105 19.096 19.000 0.336 0.000 0.995 155 A HN 0.395 nan 8.150 nan 0.000 0.506 156 L N 2.984 124.299 121.223 0.154 0.000 2.275 156 L HA 0.382 4.722 4.340 0.000 0.000 0.288 156 L C -0.440 176.567 176.870 0.227 0.000 1.046 156 L CA -0.552 54.369 54.840 0.136 0.000 0.805 156 L CB 0.828 42.891 42.059 0.006 0.000 1.193 156 L HN 0.480 nan 8.230 nan 0.000 0.426 157 I N 2.171 122.892 120.570 0.252 0.000 2.493 157 I HA 0.641 4.811 4.170 0.000 0.000 0.298 157 I C 0.461 176.715 176.117 0.228 0.000 0.998 157 I CA -0.407 61.074 61.300 0.302 0.000 1.137 157 I CB 1.645 39.844 38.000 0.332 0.000 1.310 157 I HN 0.586 nan 8.210 nan 0.000 0.445 158 G N 4.821 113.737 108.800 0.194 0.000 2.571 158 G HA2 0.686 4.646 3.960 0.000 0.000 0.304 158 G HA3 0.686 4.646 3.960 0.000 0.000 0.304 158 G C -2.030 172.972 174.900 0.169 0.000 1.314 158 G CA -0.432 44.574 45.100 -0.157 0.000 0.975 158 G HN 0.425 nan 8.290 nan 0.000 0.485 159 L N 1.447 122.803 121.223 0.221 0.000 2.436 159 L HA 0.776 5.116 4.340 0.000 0.000 0.268 159 L C -1.188 176.025 176.870 0.572 0.000 0.974 159 L CA -0.703 54.447 54.840 0.517 0.000 0.826 159 L CB 1.801 44.118 42.059 0.429 0.000 1.291 159 L HN 0.488 nan 8.230 nan 0.000 0.406 160 I N 3.308 124.242 120.570 0.606 0.000 2.545 160 I HA 0.482 4.652 4.170 0.000 0.000 0.292 160 I C -0.613 175.748 176.117 0.405 0.000 1.040 160 I CA -0.367 61.170 61.300 0.395 0.000 1.068 160 I CB 2.424 40.593 38.000 0.281 0.000 1.251 160 I HN 0.573 nan 8.210 nan 0.000 0.424 161 T N 5.525 120.282 114.554 0.338 0.000 2.861 161 T HA 0.677 5.027 4.350 0.000 0.000 0.287 161 T C -1.344 173.545 174.700 0.315 0.000 1.003 161 T CA -0.311 61.996 62.100 0.345 0.000 0.977 161 T CB 0.963 70.101 68.868 0.449 0.000 0.996 161 T HN 0.489 nan 8.240 nan 0.000 0.448 162 Y N 1.303 121.677 120.300 0.123 0.000 2.689 162 Y HA 0.870 5.421 4.550 0.000 0.000 0.333 162 Y C 0.064 176.017 175.900 0.088 0.000 1.190 162 Y CA -0.414 57.744 58.100 0.097 0.000 1.063 162 Y CB 0.946 39.458 38.460 0.086 0.000 1.294 162 Y HN 0.784 nan 8.280 nan 0.000 0.466 163 G N 0.579 109.496 108.800 0.196 0.000 3.331 163 G HA2 0.023 3.983 3.960 0.000 0.000 0.153 163 G HA3 0.023 3.983 3.960 0.000 0.000 0.153 163 G C -0.391 174.633 174.900 0.207 0.000 1.216 163 G CA -0.160 44.990 45.100 0.083 0.000 1.426 163 G HN 0.912 nan 8.290 nan 0.000 0.705 164 N N -0.247 118.530 118.700 0.129 0.000 2.416 164 N HA 0.173 4.913 4.740 0.000 0.000 0.177 164 N C 0.781 176.371 175.510 0.134 0.000 1.036 164 N CA 1.021 54.140 53.050 0.114 0.000 0.901 164 N CB 0.447 38.973 38.487 0.065 0.000 0.976 164 N HN 0.680 nan 8.380 nan 0.000 0.444 165 V N -2.184 117.822 119.914 0.155 0.000 3.126 165 V HA 0.732 4.852 4.120 0.000 0.000 0.314 165 V C -0.151 176.070 176.094 0.211 0.000 1.138 165 V CA -1.307 61.091 62.300 0.164 0.000 1.034 165 V CB 1.630 33.529 31.823 0.126 0.000 1.075 165 V HN 0.012 nan 8.190 nan 0.000 0.442 166 V N 0.507 120.546 119.914 0.208 0.000 2.448 166 V HA 0.674 4.794 4.120 0.000 0.000 0.295 166 V C -0.606 175.599 176.094 0.185 0.000 1.025 166 V CA -0.370 62.051 62.300 0.202 0.000 0.859 166 V CB 1.263 33.141 31.823 0.092 0.000 0.988 166 V HN 1.053 nan 8.190 nan 0.000 0.431 167 Q N 4.598 124.465 119.800 0.112 0.000 2.325 167 Q HA 0.612 4.952 4.340 0.000 0.000 0.262 167 Q C -1.085 174.789 176.000 -0.209 0.000 0.968 167 Q CA -0.753 55.024 55.803 -0.043 0.000 0.877 167 Q CB 2.561 31.236 28.738 -0.106 0.000 1.253 167 Q HN 0.788 nan 8.270 nan 0.000 0.448 168 L N 4.006 125.163 121.223 -0.110 0.000 2.276 168 L HA 0.290 4.630 4.340 0.000 0.000 0.286 168 L C -0.850 175.979 176.870 -0.068 0.000 1.024 168 L CA -0.343 54.438 54.840 -0.098 0.000 0.826 168 L CB 0.375 42.392 42.059 -0.070 0.000 1.211 168 L HN 0.585 nan 8.230 nan 0.000 0.422 169 H N 2.865 122.063 119.070 0.214 0.000 2.525 169 H HA 0.350 4.906 4.556 0.000 0.000 0.339 169 H C -0.902 174.582 175.328 0.260 0.000 1.109 169 H CA -0.392 55.776 56.048 0.200 0.000 1.352 169 H CB 1.570 31.415 29.762 0.137 0.000 1.461 169 H HN 0.521 nan 8.280 nan 0.000 0.533 170 D N 3.190 123.755 120.400 0.275 0.000 2.473 170 D HA 0.154 4.795 4.640 0.000 0.000 0.253 170 D C -0.645 175.650 176.300 -0.008 0.000 1.233 170 D CA -0.541 53.480 54.000 0.036 0.000 0.908 170 D CB 0.535 41.274 40.800 -0.102 0.000 1.170 170 D HN 0.189 nan 8.370 nan 0.000 0.558 171 L N 3.065 124.270 121.223 -0.030 0.000 3.017 171 L HA 0.216 4.556 4.340 0.000 0.000 0.255 171 L C 1.895 178.734 176.870 -0.052 0.000 1.247 171 L CA 0.007 54.831 54.840 -0.026 0.000 1.038 171 L CB 0.065 42.119 42.059 -0.008 0.000 1.380 171 L HN 0.452 nan 8.230 nan 0.000 0.548 172 S N -3.346 112.291 115.700 -0.106 0.000 2.461 172 S HA 0.070 4.540 4.470 0.000 0.000 0.228 172 S C 1.218 175.766 174.600 -0.087 0.000 1.005 172 S CA 0.497 58.632 58.200 -0.109 0.000 0.942 172 S CB 0.185 63.277 63.200 -0.180 0.000 0.776 172 S HN 0.334 nan 8.310 nan 0.000 0.514 173 S N 0.398 116.049 115.700 -0.082 0.000 2.718 173 S HA 0.363 4.834 4.470 0.000 0.000 0.292 173 S C 0.636 175.218 174.600 -0.031 0.000 1.125 173 S CA -0.590 57.571 58.200 -0.064 0.000 1.013 173 S CB 1.073 64.227 63.200 -0.077 0.000 1.192 173 S HN 0.416 nan 8.310 nan 0.000 0.535 174 E N 0.485 120.671 120.200 -0.022 0.000 2.435 174 E HA 0.043 4.393 4.350 0.000 0.000 0.195 174 E C 0.219 176.821 176.600 0.004 0.000 1.029 174 E CA 0.285 56.684 56.400 -0.002 0.000 0.865 174 E CB -0.075 29.623 29.700 -0.003 0.000 0.833 174 E HN 0.714 nan 8.360 nan 0.000 0.510 175 T N -1.252 113.299 114.554 -0.006 0.000 2.919 175 T HA 0.160 4.510 4.350 0.000 0.000 0.302 175 T C 1.351 176.052 174.700 0.002 0.000 1.031 175 T CA -0.432 61.668 62.100 -0.000 0.000 1.127 175 T CB 1.060 69.926 68.868 -0.003 0.000 0.952 175 T HN -0.044 nan 8.240 nan 0.000 0.540 176 I N 0.727 121.300 120.570 0.003 0.000 2.300 176 I HA -0.110 4.060 4.170 0.000 0.000 0.252 176 I C 1.015 177.127 176.117 -0.008 0.000 1.119 176 I CA 1.532 62.827 61.300 -0.008 0.000 1.384 176 I CB -0.249 37.742 38.000 -0.014 0.000 1.062 176 I HN 0.776 nan 8.210 nan 0.000 0.426 177 D N -0.892 119.516 120.400 0.013 0.000 2.783 177 D HA 0.217 4.857 4.640 0.000 0.000 0.253 177 D C -0.962 175.371 176.300 0.056 0.000 1.206 177 D CA -0.575 53.452 54.000 0.044 0.000 0.740 177 D CB 1.062 41.902 40.800 0.067 0.000 1.313 177 D HN -0.124 nan 8.370 nan 0.000 0.427 178 R N 1.636 122.184 120.500 0.081 0.000 2.494 178 R HA 0.387 4.727 4.340 0.000 0.000 0.284 178 R C -0.705 175.673 176.300 0.130 0.000 1.525 178 R CA -0.573 55.572 56.100 0.075 0.000 1.460 178 R CB 0.940 31.264 30.300 0.041 0.000 1.134 178 R HN 0.366 nan 8.270 nan 0.000 0.592 179 C N 2.744 122.121 119.300 0.129 0.000 2.629 179 C HA 0.187 4.647 4.460 0.000 0.000 0.410 179 C C 0.071 175.094 174.990 0.055 0.000 1.339 179 C CA -0.225 58.868 59.018 0.125 0.000 1.810 179 C CB -0.485 27.336 27.740 0.136 0.000 2.549 179 C HN 0.671 nan 8.230 nan 0.000 0.589 180 N N 4.860 123.588 118.700 0.046 0.000 2.501 180 N HA 0.281 5.022 4.740 0.000 0.000 0.245 180 N C -0.908 174.546 175.510 -0.093 0.000 0.974 180 N CA -0.217 52.802 53.050 -0.053 0.000 0.941 180 N CB 1.760 40.275 38.487 0.048 0.000 1.122 180 N HN 0.463 nan 8.380 nan 0.000 0.507 181 V N 3.986 123.791 119.914 -0.182 0.000 2.364 181 V HA 0.423 4.544 4.120 0.000 0.000 0.272 181 V C -0.099 175.865 176.094 -0.216 0.000 1.036 181 V CA -0.426 61.824 62.300 -0.083 0.000 0.880 181 V CB -0.300 31.505 31.823 -0.030 0.000 0.991 181 V HN 0.360 nan 8.190 nan 0.000 0.460 182 F N 2.824 122.731 119.950 -0.071 0.000 2.497 182 F HA 0.623 5.150 4.527 0.001 0.000 0.331 182 F C 0.912 176.760 175.800 0.079 0.000 1.060 182 F CA -1.070 56.875 58.000 -0.092 0.000 0.989 182 F CB 1.088 39.914 39.000 -0.289 0.000 1.245 182 F HN 0.282 nan 8.300 nan 0.000 0.486 183 R N 0.098 120.872 120.500 0.456 0.000 2.438 183 R HA 0.266 4.607 4.340 0.000 0.000 0.287 183 R C 1.044 177.517 176.300 0.288 0.000 1.077 183 R CA 0.157 56.456 56.100 0.330 0.000 1.034 183 R CB 0.499 30.969 30.300 0.284 0.000 0.993 183 R HN 0.971 nan 8.270 nan 0.000 0.459 184 G N 1.455 110.356 108.800 0.169 0.000 2.813 184 G HA2 -0.153 3.807 3.960 0.000 0.000 0.209 184 G HA3 -0.153 3.807 3.960 0.000 0.000 0.209 184 G C 0.374 175.303 174.900 0.049 0.000 1.150 184 G CA 0.122 45.292 45.100 0.117 0.000 0.785 184 G HN 0.720 nan 8.290 nan 0.000 0.535 185 D N -0.891 119.529 120.400 0.032 0.000 2.643 185 D HA 0.173 4.813 4.640 0.000 0.000 0.244 185 D C 0.456 176.706 176.300 -0.082 0.000 1.257 185 D CA -0.531 53.449 54.000 -0.034 0.000 0.831 185 D CB 0.251 41.035 40.800 -0.027 0.000 1.043 185 D HN 0.243 nan 8.370 nan 0.000 0.488 186 R N -0.016 120.425 120.500 -0.099 0.000 2.740 186 R HA 0.336 4.676 4.340 0.000 0.000 0.273 186 R C -1.442 174.720 176.300 -0.230 0.000 0.998 186 R CA -0.603 55.350 56.100 -0.245 0.000 0.900 186 R CB 1.860 31.873 30.300 -0.477 0.000 1.223 186 R HN -0.005 nan 8.270 nan 0.000 0.466 187 E N 3.522 123.581 120.200 -0.235 0.000 2.267 187 E HA 0.163 4.514 4.350 0.000 0.000 0.241 187 E C -1.069 175.475 176.600 -0.094 0.000 0.950 187 E CA -0.500 55.852 56.400 -0.079 0.000 0.776 187 E CB 0.324 30.018 29.700 -0.011 0.000 1.207 187 E HN 0.416 nan 8.360 nan 0.000 0.436 188 Y N 1.310 121.632 120.300 0.037 0.000 2.546 188 Y HA -0.047 4.503 4.550 0.000 0.000 0.351 188 Y C 1.098 177.019 175.900 0.035 0.000 1.266 188 Y CA 0.482 58.609 58.100 0.045 0.000 1.487 188 Y CB 0.478 38.971 38.460 0.054 0.000 1.365 188 Y HN 0.410 nan 8.280 nan 0.000 0.642 189 Q N 0.748 120.665 119.800 0.195 0.000 2.359 189 Q HA 0.234 4.574 4.340 0.000 0.000 0.275 189 Q C 0.694 176.766 176.000 0.120 0.000 1.082 189 Q CA -0.917 54.958 55.803 0.120 0.000 0.849 189 Q CB 1.908 30.696 28.738 0.082 0.000 1.377 189 Q HN 0.652 nan 8.270 nan 0.000 0.452 190 L N 1.438 122.712 121.223 0.084 0.000 2.051 190 L HA -0.261 4.079 4.340 0.000 0.000 0.214 190 L C 2.002 178.921 176.870 0.081 0.000 1.076 190 L CA 2.168 57.053 54.840 0.074 0.000 0.758 190 L CB -0.387 41.708 42.059 0.060 0.000 0.890 190 L HN 0.838 nan 8.230 nan 0.000 0.433 191 E N -0.871 119.376 120.200 0.078 0.000 2.047 191 E HA -0.221 4.129 4.350 0.000 0.000 0.191 191 E C 2.098 178.755 176.600 0.095 0.000 0.987 191 E CA 1.117 57.563 56.400 0.076 0.000 0.799 191 E CB -0.196 29.541 29.700 0.062 0.000 0.752 191 E HN 0.632 nan 8.360 nan 0.000 0.449 192 A N 1.423 124.317 122.820 0.123 0.000 1.902 192 A HA -0.168 4.152 4.320 0.000 0.000 0.217 192 A C 2.223 179.909 177.584 0.169 0.000 1.181 192 A CA 1.277 53.409 52.037 0.157 0.000 0.623 192 A CB -0.758 18.377 19.000 0.225 0.000 0.818 192 A HN 0.433 nan 8.150 nan 0.000 0.443 193 L N -0.638 120.686 121.223 0.167 0.000 2.046 193 L HA -0.155 4.186 4.340 0.000 0.000 0.208 193 L C 2.486 179.436 176.870 0.133 0.000 1.077 193 L CA 2.276 57.202 54.840 0.143 0.000 0.747 193 L CB -0.439 41.647 42.059 0.044 0.000 0.896 193 L HN 0.376 nan 8.230 nan 0.000 0.432 194 T N -0.830 113.790 114.554 0.110 0.000 2.777 194 T HA -0.222 4.128 4.350 0.000 0.000 0.266 194 T C 1.701 176.467 174.700 0.109 0.000 1.040 194 T CA 1.563 63.729 62.100 0.110 0.000 1.141 194 T CB -0.128 68.794 68.868 0.089 0.000 0.868 194 T HN 0.454 nan 8.240 nan 0.000 0.444 195 E N 0.611 120.868 120.200 0.096 0.000 2.077 195 E HA -0.091 4.259 4.350 0.000 0.000 0.193 195 E C 2.124 178.774 176.600 0.082 0.000 0.989 195 E CA 0.940 57.387 56.400 0.078 0.000 0.800 195 E CB -0.113 29.629 29.700 0.069 0.000 0.746 195 E HN 0.479 nan 8.360 nan 0.000 0.452 196 M N 0.035 119.692 119.600 0.095 0.000 2.319 196 M HA -0.093 4.387 4.480 0.000 0.000 0.265 196 M C 1.939 178.298 176.300 0.100 0.000 1.068 196 M CA 1.001 56.341 55.300 0.066 0.000 1.118 196 M CB 0.122 32.742 32.600 0.033 0.000 1.395 196 M HN 0.175 nan 8.290 nan 0.000 0.435 197 L N -1.119 120.204 121.223 0.167 0.000 2.513 197 L HA 0.056 4.396 4.340 0.000 0.000 0.222 197 L C 2.031 179.053 176.870 0.254 0.000 1.096 197 L CA 0.844 55.838 54.840 0.257 0.000 0.857 197 L CB -0.264 41.982 42.059 0.312 0.000 1.026 197 L HN 0.380 nan 8.230 nan 0.000 0.469 198 T N -5.635 109.030 114.554 0.186 0.000 2.975 198 T HA 0.217 4.567 4.350 0.000 0.000 0.261 198 T C 1.404 176.165 174.700 0.103 0.000 0.984 198 T CA 0.497 62.703 62.100 0.176 0.000 0.911 198 T CB 0.836 69.792 68.868 0.147 0.000 1.127 198 T HN 0.237 nan 8.240 nan 0.000 0.514 199 G N 1.593 110.441 108.800 0.079 0.000 2.225 199 G HA2 -0.272 3.688 3.960 0.000 0.000 0.267 199 G HA3 -0.272 3.688 3.960 0.000 0.000 0.267 199 G C 0.353 175.251 174.900 -0.004 0.000 1.024 199 G CA 0.970 46.089 45.100 0.033 0.000 0.784 199 G HN 0.614 nan 8.290 nan 0.000 0.507 200 Q N -0.961 118.846 119.800 0.011 0.000 2.243 200 Q HA 0.260 4.600 4.340 0.000 0.000 0.167 200 Q C 1.072 177.079 176.000 0.012 0.000 0.619 200 Q CA -0.213 55.586 55.803 -0.007 0.000 0.745 200 Q CB 0.144 28.872 28.738 -0.017 0.000 1.071 200 Q HN 0.294 nan 8.270 nan 0.000 0.502 201 K N 2.540 122.955 120.400 0.025 0.000 2.585 201 K HA -0.137 4.183 4.320 0.000 0.000 0.271 201 K C -2.451 174.167 176.600 0.030 0.000 0.994 201 K CA 0.026 56.332 56.287 0.030 0.000 1.085 201 K CB 0.013 32.540 32.500 0.045 0.000 0.802 201 K HN -0.066 nan 8.250 nan 0.000 0.476 202 P HA 0.111 nan 4.420 nan 0.000 0.273 202 P C -0.682 176.627 177.300 0.014 0.000 1.250 202 P CA -0.419 62.694 63.100 0.022 0.000 0.793 202 P CB 0.942 32.655 31.700 0.021 0.000 1.011 220 T N 1.985 116.498 114.554 -0.068 0.000 2.982 220 T HA 0.545 4.896 4.350 0.000 0.000 0.321 220 T C -2.679 171.869 174.700 -0.253 0.000 1.229 220 T CA -0.697 61.334 62.100 -0.115 0.000 1.044 220 T CB 2.720 71.594 68.868 0.010 0.000 1.184 220 T HN -0.012 nan 8.240 nan 0.000 0.477 221 P HA 0.080 nan 4.420 nan 0.000 0.234 221 P C 0.235 177.159 177.300 -0.627 0.000 1.162 221 P CA 0.890 63.619 63.100 -0.619 0.000 0.759 221 P CB -0.117 31.131 31.700 -0.754 0.000 0.813 222 F N -2.053 117.878 119.950 -0.031 0.000 2.711 222 F HA 0.115 4.642 4.527 0.000 0.000 0.296 222 F C 1.497 177.304 175.800 0.011 0.000 1.096 222 F CA -0.381 57.615 58.000 -0.006 0.000 1.280 222 F CB -0.670 38.335 39.000 0.009 0.000 1.060 222 F HN -0.267 nan 8.300 nan 0.000 0.608 223 S N 2.087 117.878 115.700 0.152 0.000 2.566 223 S HA 0.063 4.533 4.470 0.000 0.000 0.280 223 S C 0.983 175.651 174.600 0.113 0.000 1.343 223 S CA -0.482 57.788 58.200 0.117 0.000 1.036 223 S CB 0.678 63.919 63.200 0.070 0.000 0.866 223 S HN 0.323 nan 8.310 nan 0.000 0.526 224 L N 1.343 122.669 121.223 0.173 0.000 2.456 224 L HA -0.078 4.262 4.340 0.000 0.000 0.224 224 L C 2.247 179.298 176.870 0.302 0.000 1.148 224 L CA 0.469 55.491 54.840 0.304 0.000 0.825 224 L CB -0.799 41.413 42.059 0.255 0.000 0.937 224 L HN 0.704 nan 8.230 nan 0.000 0.450 225 N N 1.356 120.153 118.700 0.162 0.000 2.149 225 N HA -0.203 4.537 4.740 0.000 0.000 0.188 225 N C 1.831 177.420 175.510 0.131 0.000 1.019 225 N CA 1.354 54.521 53.050 0.195 0.000 0.857 225 N CB -0.227 38.315 38.487 0.090 0.000 0.997 225 N HN 0.516 nan 8.380 nan 0.000 0.426 226 R N 0.191 120.639 120.500 -0.088 0.000 2.261 226 R HA -0.079 4.261 4.340 0.000 0.000 0.236 226 R C 1.111 177.141 176.300 -0.450 0.000 1.141 226 R CA 1.093 57.021 56.100 -0.286 0.000 1.001 226 R CB -0.744 29.297 30.300 -0.431 0.000 0.866 226 R HN 0.174 nan 8.270 nan 0.000 0.468 227 F N 0.080 119.882 119.950 -0.247 0.000 2.789 227 F HA 0.241 4.768 4.527 0.000 0.000 0.300 227 F C 0.058 175.333 175.800 -0.875 0.000 1.132 227 F CA -0.010 57.649 58.000 -0.569 0.000 1.404 227 F CB 0.327 38.867 39.000 -0.767 0.000 1.114 227 F HN -0.136 nan 8.300 nan 0.000 0.584 228 F N 1.411 121.406 119.950 0.076 0.000 2.430 228 F HA 0.449 4.976 4.527 0.000 0.000 0.362 228 F C -0.370 175.452 175.800 0.035 0.000 1.103 228 F CA -0.802 57.210 58.000 0.019 0.000 1.045 228 F CB 0.681 39.687 39.000 0.010 0.000 1.276 228 F HN -0.338 nan 8.300 nan 0.000 0.444 229 L N 3.872 125.176 121.223 0.134 0.000 2.330 229 L HA 0.601 4.941 4.340 0.000 0.000 0.271 229 L C -2.506 174.434 176.870 0.116 0.000 1.013 229 L CA -2.465 52.437 54.840 0.102 0.000 0.816 229 L CB 1.972 44.062 42.059 0.050 0.000 1.287 229 L HN 0.208 nan 8.230 nan 0.000 0.435 230 P HA 0.021 nan 4.420 nan 0.000 0.271 230 P C 0.536 177.891 177.300 0.091 0.000 1.233 230 P CA -0.332 62.825 63.100 0.096 0.000 0.764 230 P CB 0.730 32.476 31.700 0.078 0.000 0.825 231 L N 4.823 126.107 121.223 0.103 0.000 2.085 231 L HA -0.276 4.064 4.340 0.000 0.000 0.218 231 L C 1.957 178.868 176.870 0.068 0.000 1.080 231 L CA 2.065 56.957 54.840 0.087 0.000 0.776 231 L CB -1.028 41.079 42.059 0.080 0.000 0.891 231 L HN 0.437 nan 8.230 nan 0.000 0.437 232 E N -1.320 118.918 120.200 0.063 0.000 2.118 232 E HA -0.313 4.037 4.350 0.000 0.000 0.195 232 E C 2.112 178.744 176.600 0.054 0.000 0.992 232 E CA 1.562 57.993 56.400 0.052 0.000 0.804 232 E CB -0.101 29.628 29.700 0.048 0.000 0.741 232 E HN 0.711 nan 8.360 nan 0.000 0.458 233 Q N 0.086 119.920 119.800 0.057 0.000 2.212 233 Q HA -0.060 4.280 4.340 0.000 0.000 0.199 233 Q C 1.294 177.335 176.000 0.068 0.000 0.950 233 Q CA 0.923 56.758 55.803 0.054 0.000 0.863 233 Q CB 0.631 29.397 28.738 0.046 0.000 0.944 233 Q HN 0.120 nan 8.270 nan 0.000 0.465 234 V N 0.606 120.562 119.914 0.070 0.000 3.276 234 V HA 0.055 4.175 4.120 0.000 0.000 0.319 234 V C 1.346 177.479 176.094 0.064 0.000 1.427 234 V CA 0.192 62.533 62.300 0.068 0.000 1.102 234 V CB 0.537 32.390 31.823 0.049 0.000 1.020 234 V HN 0.310 nan 8.190 nan 0.000 0.456 235 E N 1.106 121.353 120.200 0.078 0.000 2.049 235 E HA -0.281 4.069 4.350 0.000 0.000 0.198 235 E C 1.934 178.579 176.600 0.076 0.000 1.007 235 E CA 2.220 58.658 56.400 0.065 0.000 0.809 235 E CB -0.115 29.627 29.700 0.069 0.000 0.749 235 E HN 0.574 nan 8.360 nan 0.000 0.450 236 F N 1.446 121.385 119.950 -0.018 0.000 2.031 236 F HA -0.141 4.386 4.527 0.000 0.000 0.295 236 F C 2.258 178.041 175.800 -0.028 0.000 1.133 236 F CA 2.057 60.043 58.000 -0.024 0.000 1.188 236 F CB -0.521 38.468 39.000 -0.019 0.000 0.974 236 F HN -0.153 nan 8.300 nan 0.000 0.473 237 K N 0.495 120.767 120.400 -0.214 0.000 2.059 237 K HA -0.248 4.072 4.320 0.000 0.000 0.212 237 K C 2.375 178.825 176.600 -0.251 0.000 1.050 237 K CA 2.131 58.239 56.287 -0.299 0.000 0.927 237 K CB -0.653 31.829 32.500 -0.031 0.000 0.714 237 K HN 0.516 nan 8.250 nan 0.000 0.447 238 L N 0.856 121.997 121.223 -0.136 0.000 2.056 238 L HA -0.200 4.140 4.340 0.000 0.000 0.207 238 L C 1.915 178.692 176.870 -0.156 0.000 1.078 238 L CA 1.343 56.116 54.840 -0.112 0.000 0.749 238 L CB -0.356 41.680 42.059 -0.039 0.000 0.901 238 L HN 0.334 nan 8.230 nan 0.000 0.433 239 N N -0.248 118.354 118.700 -0.164 0.000 2.244 239 N HA -0.244 4.497 4.740 0.000 0.000 0.183 239 N C 1.698 177.087 175.510 -0.201 0.000 1.016 239 N CA 1.089 54.040 53.050 -0.165 0.000 0.866 239 N CB -0.079 38.334 38.487 -0.123 0.000 0.980 239 N HN 0.489 nan 8.380 nan 0.000 0.430 240 Q N 0.635 120.264 119.800 -0.285 0.000 2.046 240 Q HA -0.044 4.296 4.340 0.000 0.000 0.200 240 Q C 2.232 178.104 176.000 -0.214 0.000 0.975 240 Q CA 0.800 56.435 55.803 -0.281 0.000 0.836 240 Q CB -0.065 28.419 28.738 -0.423 0.000 0.896 240 Q HN 0.323 nan 8.270 nan 0.000 0.428 241 L N 0.393 121.484 121.223 -0.219 0.000 2.042 241 L HA -0.206 4.134 4.340 0.000 0.000 0.210 241 L C 2.146 178.906 176.870 -0.183 0.000 1.076 241 L CA 1.153 55.875 54.840 -0.197 0.000 0.749 241 L CB -0.162 41.763 42.059 -0.224 0.000 0.893 241 L HN 0.336 nan 8.230 nan 0.000 0.432 242 L N -0.508 120.605 121.223 -0.183 0.000 2.083 242 L HA -0.217 4.123 4.340 0.000 0.000 0.209 242 L C 2.442 179.216 176.870 -0.160 0.000 1.083 242 L CA 1.315 56.048 54.840 -0.178 0.000 0.752 242 L CB -0.499 41.440 42.059 -0.199 0.000 0.899 242 L HN 0.333 nan 8.230 nan 0.000 0.433 243 E N 0.143 120.254 120.200 -0.149 0.000 2.072 243 E HA -0.154 4.197 4.350 0.000 0.000 0.191 243 E C 1.426 177.962 176.600 -0.108 0.000 0.985 243 E CA 0.937 57.263 56.400 -0.125 0.000 0.801 243 E CB 0.035 29.666 29.700 -0.116 0.000 0.750 243 E HN 0.440 nan 8.360 nan 0.000 0.452 244 N N 0.666 119.300 118.700 -0.109 0.000 2.449 244 N HA -0.020 4.721 4.740 0.000 0.000 0.191 244 N C -0.231 175.232 175.510 -0.079 0.000 1.161 244 N CA 0.158 53.155 53.050 -0.087 0.000 0.863 244 N CB 0.107 38.543 38.487 -0.084 0.000 0.980 244 N HN 0.055 nan 8.380 nan 0.000 0.458 245 L N 1.414 122.582 121.223 -0.092 0.000 2.453 245 L HA 0.081 4.421 4.340 0.000 0.000 0.272 245 L C 0.630 177.464 176.870 -0.061 0.000 1.182 245 L CA 0.068 54.862 54.840 -0.077 0.000 0.858 245 L CB 0.450 42.448 42.059 -0.101 0.000 1.120 245 L HN 0.113 nan 8.230 nan 0.000 0.474 246 S N 3.512 119.191 115.700 -0.035 0.000 2.588 246 S HA 0.792 5.263 4.470 0.000 0.000 0.275 246 S C -2.778 171.825 174.600 0.005 0.000 1.130 246 S CA -1.502 56.685 58.200 -0.021 0.000 0.855 246 S CB 1.432 64.621 63.200 -0.017 0.000 1.116 246 S HN 0.381 nan 8.310 nan 0.000 0.472 247 P HA 0.042 nan 4.420 nan 0.000 0.272 247 P C 0.126 177.476 177.300 0.083 0.000 1.210 247 P CA 0.188 63.322 63.100 0.057 0.000 0.789 247 P CB 0.380 32.144 31.700 0.106 0.000 0.849 248 D N 0.122 120.564 120.400 0.071 0.000 2.648 248 D HA -0.030 4.610 4.640 0.000 0.000 0.261 248 D C 0.220 176.564 176.300 0.074 0.000 1.261 248 D CA 0.810 54.846 54.000 0.062 0.000 1.011 248 D CB 0.282 41.093 40.800 0.018 0.000 1.092 248 D HN 0.489 nan 8.370 nan 0.000 0.417 249 Q N 1.672 121.485 119.800 0.021 0.000 2.706 249 Q HA 0.193 4.533 4.340 0.000 0.000 0.250 249 Q C 1.022 176.963 176.000 -0.098 0.000 1.120 249 Q CA -0.735 55.017 55.803 -0.086 0.000 0.972 249 Q CB -0.024 28.652 28.738 -0.103 0.000 1.173 249 Q HN 0.532 nan 8.270 nan 0.000 0.522 250 W N 0.947 122.244 121.300 -0.006 0.000 2.364 250 W HA -0.015 4.645 4.660 0.000 0.000 0.281 250 W C -0.174 176.343 176.519 -0.005 0.000 1.219 250 W CA 0.170 57.512 57.345 -0.006 0.000 1.220 250 W CB -0.208 29.247 29.460 -0.009 0.000 1.127 250 W HN 0.351 nan 8.180 nan 0.000 0.556 251 S N 1.481 116.524 115.700 -1.096 0.000 2.520 251 S HA 0.465 4.935 4.470 0.000 0.000 0.324 251 S C -0.666 173.616 174.600 -0.531 0.000 1.069 251 S CA -0.498 57.101 58.200 -1.002 0.000 1.121 251 S CB 0.876 62.989 63.200 -1.811 0.000 0.971 251 S HN -0.031 nan 8.310 nan 0.000 0.463 252 V N 7.604 127.350 119.914 -0.281 0.000 2.483 252 V HA 0.507 4.627 4.120 0.000 0.000 0.295 252 V C -1.837 174.160 176.094 -0.162 0.000 1.035 252 V CA -1.972 60.219 62.300 -0.182 0.000 0.896 252 V CB 1.360 33.136 31.823 -0.078 0.000 0.986 252 V HN 0.740 nan 8.190 nan 0.000 0.447 253 P HA 0.087 nan 4.420 nan 0.000 0.262 253 P C -0.055 177.169 177.300 -0.127 0.000 1.182 253 P CA 0.091 63.049 63.100 -0.237 0.000 0.761 253 P CB 0.462 31.907 31.700 -0.424 0.000 0.795 254 A N 3.305 126.090 122.820 -0.059 0.000 2.603 254 A HA 0.308 4.628 4.320 0.000 0.000 0.235 254 A C 1.561 179.235 177.584 0.151 0.000 1.035 254 A CA 0.796 52.848 52.037 0.026 0.000 0.755 254 A CB -1.248 17.758 19.000 0.010 0.000 0.954 254 A HN 1.120 nan 8.150 nan 0.000 0.511 255 G N 1.490 110.369 108.800 0.132 0.000 2.176 255 G HA2 -0.174 3.786 3.960 0.000 0.000 0.252 255 G HA3 -0.174 3.786 3.960 0.000 0.000 0.252 255 G C -0.061 174.920 174.900 0.135 0.000 1.024 255 G CA 0.949 46.124 45.100 0.125 0.000 0.755 255 G HN 1.364 nan 8.290 nan 0.000 0.507 256 H N -1.234 117.823 119.070 -0.022 0.000 2.907 256 H HA 0.790 5.347 4.556 0.000 0.000 0.361 256 H C 0.513 175.829 175.328 -0.020 0.000 1.194 256 H CA -0.704 55.331 56.048 -0.022 0.000 1.152 256 H CB 1.077 30.821 29.762 -0.031 0.000 1.867 256 H HN 0.276 nan 8.280 nan 0.000 0.561 257 R N 0.883 121.442 120.500 0.099 0.000 2.720 257 R HA 0.417 4.757 4.340 0.000 0.000 0.272 257 R C -2.491 173.846 176.300 0.061 0.000 0.991 257 R CA -1.906 54.226 56.100 0.052 0.000 1.010 257 R CB 0.984 31.298 30.300 0.022 0.000 1.141 257 R HN 0.384 nan 8.270 nan 0.000 0.494 258 P HA 0.035 nan 4.420 nan 0.000 0.271 258 P C -0.649 176.673 177.300 0.037 0.000 1.233 258 P CA -0.098 63.017 63.100 0.024 0.000 0.789 258 P CB 0.487 32.197 31.700 0.017 0.000 0.951 259 L N 1.889 123.133 121.223 0.034 0.000 2.334 259 L HA 0.333 4.673 4.340 0.000 0.000 0.286 259 L C 0.892 177.809 176.870 0.079 0.000 1.108 259 L CA -0.157 54.711 54.840 0.048 0.000 0.875 259 L CB -0.127 41.955 42.059 0.038 0.000 1.246 259 L HN 0.271 nan 8.230 nan 0.000 0.439 260 R N 2.802 123.362 120.500 0.100 0.000 2.229 260 R HA 0.477 4.817 4.340 0.000 0.000 0.332 260 R C 0.268 176.698 176.300 0.217 0.000 0.989 260 R CA -0.191 56.021 56.100 0.186 0.000 0.842 260 R CB 1.309 31.710 30.300 0.169 0.000 1.119 260 R HN 0.646 nan 8.270 nan 0.000 0.456 261 A N 3.588 126.588 122.820 0.300 0.000 3.012 261 A HA 0.143 4.463 4.320 0.000 0.000 0.295 261 A C 1.051 178.626 177.584 -0.015 0.000 1.338 261 A CA -0.362 51.757 52.037 0.136 0.000 0.981 261 A CB -0.125 18.943 19.000 0.113 0.000 1.091 261 A HN 0.923 nan 8.150 nan 0.000 0.602 262 T N 0.044 114.639 114.554 0.069 0.000 2.684 262 T HA -0.257 4.093 4.350 0.000 0.000 0.267 262 T C 2.054 176.740 174.700 -0.023 0.000 1.032 262 T CA 2.232 64.270 62.100 -0.103 0.000 1.155 262 T CB -0.337 68.621 68.868 0.149 0.000 0.857 262 T HN 0.664 nan 8.240 nan 0.000 0.457 263 G N 0.383 109.268 108.800 0.141 0.000 2.459 263 G HA2 -0.247 3.714 3.960 0.000 0.000 0.217 263 G HA3 -0.247 3.714 3.960 0.000 0.000 0.217 263 G C 1.850 176.867 174.900 0.195 0.000 1.183 263 G CA 1.280 46.555 45.100 0.293 0.000 0.776 263 G HN 0.542 nan 8.290 nan 0.000 0.552 264 S N 0.730 116.443 115.700 0.021 0.000 2.368 264 S HA 0.008 4.479 4.470 0.000 0.000 0.225 264 S C 2.738 177.301 174.600 -0.062 0.000 1.030 264 S CA 1.661 59.876 58.200 0.025 0.000 0.999 264 S CB -0.519 62.703 63.200 0.036 0.000 0.844 264 S HN 0.597 nan 8.310 nan 0.000 0.459 265 A N 1.479 124.161 122.820 -0.229 0.000 1.883 265 A HA -0.010 4.310 4.320 0.000 0.000 0.217 265 A C 2.171 179.604 177.584 -0.252 0.000 1.186 265 A CA 1.613 53.437 52.037 -0.355 0.000 0.624 265 A CB -0.816 17.664 19.000 -0.867 0.000 0.822 265 A HN 0.595 nan 8.150 nan 0.000 0.444 266 L N -0.728 120.400 121.223 -0.159 0.000 2.217 266 L HA -0.119 4.221 4.340 0.000 0.000 0.211 266 L C 2.406 179.226 176.870 -0.084 0.000 1.107 266 L CA 1.276 56.046 54.840 -0.118 0.000 0.783 266 L CB -0.581 41.461 42.059 -0.028 0.000 0.919 266 L HN 0.507 nan 8.230 nan 0.000 0.442 267 N N 0.747 119.442 118.700 -0.008 0.000 2.135 267 N HA -0.157 4.584 4.740 0.000 0.000 0.186 267 N C 1.784 177.263 175.510 -0.052 0.000 1.027 267 N CA 1.248 54.307 53.050 0.016 0.000 0.849 267 N CB 0.088 38.668 38.487 0.155 0.000 1.002 267 N HN 0.043 nan 8.380 nan 0.000 0.425 268 I N 0.917 121.411 120.570 -0.126 0.000 2.226 268 I HA -0.140 4.031 4.170 0.000 0.000 0.245 268 I C 2.310 178.325 176.117 -0.170 0.000 1.100 268 I CA 1.133 62.284 61.300 -0.247 0.000 1.374 268 I CB -1.852 35.877 38.000 -0.452 0.000 1.057 268 I HN 0.186 nan 8.210 nan 0.000 0.413 269 A N 1.449 124.135 122.820 -0.222 0.000 1.877 269 A HA -0.208 4.112 4.320 0.000 0.000 0.216 269 A C 2.570 180.121 177.584 -0.056 0.000 1.186 269 A CA 2.627 54.476 52.037 -0.313 0.000 0.620 269 A CB -0.926 17.607 19.000 -0.778 0.000 0.822 269 A HN 0.559 nan 8.150 nan 0.000 0.443 270 S N -0.090 115.567 115.700 -0.072 0.000 2.383 270 S HA -0.024 4.446 4.470 0.000 0.000 0.227 270 S C 1.885 176.528 174.600 0.072 0.000 1.026 270 S CA 1.294 59.504 58.200 0.017 0.000 0.981 270 S CB -0.668 62.533 63.200 0.002 0.000 0.818 270 S HN 0.428 nan 8.310 nan 0.000 0.472 271 L N 0.247 121.493 121.223 0.038 0.000 2.056 271 L HA -0.001 4.339 4.340 0.000 0.000 0.207 271 L C 2.630 179.553 176.870 0.088 0.000 1.078 271 L CA 0.927 55.798 54.840 0.052 0.000 0.749 271 L CB -0.595 41.474 42.059 0.018 0.000 0.901 271 L HN 0.316 nan 8.230 nan 0.000 0.433 272 L N 0.027 121.313 121.223 0.105 0.000 2.046 272 L HA -0.197 4.143 4.340 0.000 0.000 0.208 272 L C 2.270 179.311 176.870 0.286 0.000 1.077 272 L CA 1.781 56.734 54.840 0.188 0.000 0.747 272 L CB -0.437 41.762 42.059 0.234 0.000 0.896 272 L HN 0.106 nan 8.230 nan 0.000 0.432 273 L N -0.977 120.401 121.223 0.258 0.000 2.217 273 L HA -0.170 4.170 4.340 0.000 0.000 0.211 273 L C 2.596 179.591 176.870 0.209 0.000 1.107 273 L CA 1.246 56.136 54.840 0.084 0.000 0.783 273 L CB -0.479 41.368 42.059 -0.353 0.000 0.919 273 L HN 0.471 nan 8.230 nan 0.000 0.442 274 Q N 0.090 120.024 119.800 0.223 0.000 2.167 274 Q HA -0.141 4.199 4.340 0.000 0.000 0.202 274 Q C 2.101 178.179 176.000 0.131 0.000 0.970 274 Q CA 1.462 57.386 55.803 0.202 0.000 0.855 274 Q CB -0.079 28.738 28.738 0.132 0.000 0.911 274 Q HN 0.499 nan 8.270 nan 0.000 0.438 275 G N -0.163 108.710 108.800 0.122 0.000 2.464 275 G HA2 -0.198 3.762 3.960 0.000 0.000 0.217 275 G HA3 -0.198 3.762 3.960 0.000 0.000 0.217 275 G C 1.334 176.263 174.900 0.049 0.000 1.138 275 G CA 0.915 46.068 45.100 0.088 0.000 0.793 275 G HN 0.608 nan 8.290 nan 0.000 0.539 276 C N -4.009 115.313 119.300 0.037 0.000 3.559 276 C HA 0.593 5.053 4.460 0.000 0.000 0.314 276 C C 0.750 175.456 174.990 -0.474 0.000 1.419 276 C CA -0.892 58.022 59.018 -0.173 0.000 1.775 276 C CB -0.831 26.830 27.740 -0.131 0.000 2.430 276 C HN 0.206 nan 8.230 nan 0.000 0.686 277 Y N 1.109 121.424 120.300 0.025 0.000 2.734 277 Y HA 0.357 4.907 4.550 0.000 0.000 0.251 277 Y C 0.639 176.615 175.900 0.127 0.000 1.049 277 Y CA -0.542 57.560 58.100 0.004 0.000 1.103 277 Y CB 0.058 38.421 38.460 -0.162 0.000 1.201 277 Y HN 0.118 nan 8.280 nan 0.000 0.618 278 K N 1.824 122.335 120.400 0.185 0.000 2.472 278 K HA -0.071 4.249 4.320 0.000 0.000 0.280 278 K C 0.289 176.895 176.600 0.010 0.000 1.028 278 K CA 0.790 57.130 56.287 0.089 0.000 1.045 278 K CB 0.141 32.665 32.500 0.040 0.000 0.902 278 K HN 0.471 nan 8.250 nan 0.000 0.478 279 N N 1.934 120.554 118.700 -0.135 0.000 2.782 279 N HA -0.189 4.551 4.740 0.000 0.000 0.251 279 N C -1.109 174.377 175.510 -0.039 0.000 1.101 279 N CA 0.934 53.916 53.050 -0.113 0.000 0.764 279 N CB -0.732 37.720 38.487 -0.058 0.000 1.122 279 N HN 0.420 nan 8.380 nan 0.000 0.561 280 I N 1.262 121.848 120.570 0.027 0.000 2.406 280 I HA 0.329 4.500 4.170 0.000 0.000 0.290 280 I C -1.908 174.206 176.117 -0.005 0.000 0.999 280 I CA -2.054 59.267 61.300 0.036 0.000 1.124 280 I CB 1.644 39.724 38.000 0.133 0.000 1.289 280 I HN -0.238 nan 8.210 nan 0.000 0.441 281 P HA 0.233 nan 4.420 nan 0.000 0.266 281 P C -0.825 176.207 177.300 -0.447 0.000 1.193 281 P CA -0.014 62.921 63.100 -0.274 0.000 0.770 281 P CB 1.107 32.524 31.700 -0.472 0.000 0.836 282 A N 2.459 125.036 122.820 -0.405 0.000 2.590 282 A HA 0.508 4.828 4.320 0.000 0.000 0.296 282 A C -1.031 176.376 177.584 -0.294 0.000 1.050 282 A CA -0.846 50.890 52.037 -0.501 0.000 0.697 282 A CB 1.281 19.968 19.000 -0.521 0.000 1.277 282 A HN 0.478 nan 8.150 nan 0.000 0.411 283 R N 1.276 121.589 120.500 -0.312 0.000 2.343 283 R HA 0.564 4.904 4.340 0.000 0.000 0.320 283 R C -1.065 175.227 176.300 -0.014 0.000 0.956 283 R CA -0.468 55.586 56.100 -0.077 0.000 0.836 283 R CB 1.572 31.885 30.300 0.023 0.000 1.151 283 R HN 0.616 nan 8.270 nan 0.000 0.450 284 I N 5.509 126.083 120.570 0.007 0.000 2.287 284 I HA 0.256 4.426 4.170 0.000 0.000 0.290 284 I C 0.069 176.195 176.117 0.015 0.000 1.069 284 I CA -0.303 60.978 61.300 -0.032 0.000 1.237 284 I CB 0.575 38.508 38.000 -0.112 0.000 1.418 284 I HN 0.421 nan 8.210 nan 0.000 0.481 285 I N 7.009 127.613 120.570 0.056 0.000 2.304 285 I HA 0.248 4.418 4.170 0.000 0.000 0.291 285 I C -0.403 175.646 176.117 -0.114 0.000 1.018 285 I CA -0.663 60.677 61.300 0.066 0.000 1.260 285 I CB 1.464 39.603 38.000 0.231 0.000 1.390 285 I HN 0.379 nan 8.210 nan 0.000 0.475 286 L N 8.095 129.232 121.223 -0.143 0.000 2.307 286 L HA 0.550 4.891 4.340 0.000 0.000 0.284 286 L C -1.340 175.424 176.870 -0.177 0.000 1.023 286 L CA 0.108 54.895 54.840 -0.088 0.000 0.810 286 L CB 0.887 42.959 42.059 0.021 0.000 1.231 286 L HN 0.259 nan 8.230 nan 0.000 0.423 287 F N 5.240 125.371 119.950 0.303 0.000 2.430 287 F HA 0.738 5.265 4.527 0.000 0.000 0.362 287 F C 0.412 176.384 175.800 0.287 0.000 1.103 287 F CA -0.487 57.675 58.000 0.270 0.000 1.045 287 F CB 1.306 40.214 39.000 -0.153 0.000 1.276 287 F HN 0.642 nan 8.300 nan 0.000 0.444 288 A N 1.237 124.343 122.820 0.477 0.000 2.325 288 A HA 0.703 5.023 4.320 0.000 0.000 0.333 288 A C 0.321 178.070 177.584 0.274 0.000 1.155 288 A CA -0.549 51.681 52.037 0.322 0.000 0.814 288 A CB 1.075 20.210 19.000 0.224 0.000 1.206 288 A HN 0.614 nan 8.150 nan 0.000 0.482 289 S N 0.132 115.938 115.700 0.176 0.000 2.602 289 S HA 0.536 5.006 4.470 0.000 0.000 0.240 289 S C 0.480 175.096 174.600 0.027 0.000 0.992 289 S CA 0.339 58.593 58.200 0.089 0.000 0.971 289 S CB 0.034 63.309 63.200 0.125 0.000 0.855 289 S HN 1.655 nan 8.310 nan 0.000 0.481 290 G N 2.175 110.998 108.800 0.038 0.000 2.313 290 G HA2 0.312 4.272 3.960 0.000 0.000 0.296 290 G HA3 0.312 4.272 3.960 0.000 0.000 0.296 290 G C -3.577 171.351 174.900 0.047 0.000 1.356 290 G CA -0.870 44.246 45.100 0.025 0.000 0.833 290 G HN -0.081 nan 8.290 nan 0.000 0.552 291 P HA 0.388 nan 4.420 nan 0.000 0.274 291 P C 0.634 177.980 177.300 0.077 0.000 1.231 291 P CA 0.260 63.392 63.100 0.053 0.000 0.790 291 P CB 1.109 32.831 31.700 0.037 0.000 0.951 292 G N 0.557 109.419 108.800 0.103 0.000 2.441 292 G HA2 0.344 4.304 3.960 0.000 0.000 0.243 292 G HA3 0.344 4.304 3.960 0.000 0.000 0.243 292 G C 0.653 175.579 174.900 0.043 0.000 1.281 292 G CA -0.226 44.943 45.100 0.115 0.000 0.854 292 G HN 0.582 nan 8.290 nan 0.000 0.560 293 T N -1.410 113.162 114.554 0.031 0.000 3.288 293 T HA 0.453 4.803 4.350 0.000 0.000 0.293 293 T C 0.044 174.723 174.700 -0.036 0.000 1.008 293 T CA -0.310 61.778 62.100 -0.021 0.000 0.929 293 T CB 0.187 69.054 68.868 -0.001 0.000 1.152 293 T HN 0.320 nan 8.240 nan 0.000 0.517 294 V N 0.976 120.870 119.914 -0.034 0.000 3.007 294 V HA 0.806 4.926 4.120 0.000 0.000 0.311 294 V C 0.022 176.048 176.094 -0.113 0.000 1.120 294 V CA -1.600 60.669 62.300 -0.052 0.000 0.980 294 V CB 1.875 33.695 31.823 -0.004 0.000 1.033 294 V HN 0.528 nan 8.190 nan 0.000 0.429 295 A N 4.621 127.359 122.820 -0.136 0.000 2.484 295 A HA 0.535 4.855 4.320 0.000 0.000 0.268 295 A C -2.451 174.983 177.584 -0.251 0.000 1.114 295 A CA -0.702 51.216 52.037 -0.197 0.000 0.780 295 A CB -0.510 18.406 19.000 -0.140 0.000 1.061 295 A HN 0.610 nan 8.150 nan 0.000 0.505 296 P HA 0.295 nan 4.420 nan 0.000 0.271 296 P C 0.844 177.560 177.300 -0.973 0.000 1.218 296 P CA 1.327 63.830 63.100 -0.994 0.000 0.780 296 P CB 0.693 31.692 31.700 -1.167 0.000 0.901 297 G N 2.021 110.046 108.800 -1.291 0.000 2.372 297 G HA2 -0.219 3.741 3.960 0.000 0.000 0.297 297 G HA3 -0.219 3.741 3.960 0.000 0.000 0.297 297 G C -0.333 174.409 174.900 -0.262 0.000 1.005 297 G CA -0.341 44.291 45.100 -0.779 0.000 1.173 297 G HN 0.556 nan 8.290 nan 0.000 0.511 298 L N 1.309 122.378 121.223 -0.256 0.000 2.281 298 L HA 0.558 4.898 4.340 0.000 0.000 0.285 298 L C 1.115 177.922 176.870 -0.105 0.000 1.074 298 L CA -0.811 53.929 54.840 -0.167 0.000 0.817 298 L CB 0.518 42.432 42.059 -0.241 0.000 1.168 298 L HN 0.103 nan 8.230 nan 0.000 0.434 299 I N 4.951 125.503 120.570 -0.029 0.000 2.585 299 I HA 0.191 4.361 4.170 0.000 0.000 0.254 299 I C 0.522 176.618 176.117 -0.035 0.000 1.129 299 I CA 0.788 62.111 61.300 0.038 0.000 1.455 299 I CB -0.006 38.047 38.000 0.088 0.000 1.111 299 I HN 0.476 nan 8.210 nan 0.000 0.433 300 V N 0.814 120.626 119.914 -0.170 0.000 3.108 300 V HA 0.302 4.422 4.120 0.000 0.000 0.287 300 V C -0.917 175.044 176.094 -0.223 0.000 1.436 300 V CA -0.990 61.191 62.300 -0.198 0.000 1.001 300 V CB 2.310 34.140 31.823 0.011 0.000 1.141 300 V HN 0.174 nan 8.190 nan 0.000 0.443 301 N N 2.566 121.144 118.700 -0.204 0.000 2.297 301 N HA 0.092 4.832 4.740 0.000 0.000 0.232 301 N C 1.343 176.810 175.510 -0.072 0.000 1.311 301 N CA 0.627 53.606 53.050 -0.118 0.000 0.897 301 N CB 1.101 39.563 38.487 -0.043 0.000 1.137 301 N HN 0.919 nan 8.380 nan 0.000 0.449 302 S N -0.119 115.550 115.700 -0.051 0.000 2.383 302 S HA -0.108 4.362 4.470 0.000 0.000 0.227 302 S C 0.415 174.916 174.600 -0.166 0.000 1.026 302 S CA 0.660 58.844 58.200 -0.027 0.000 0.981 302 S CB -0.304 62.952 63.200 0.095 0.000 0.818 302 S HN 0.558 nan 8.310 nan 0.000 0.472 303 E N 1.259 121.266 120.200 -0.321 0.000 2.415 303 E HA 0.111 4.461 4.350 0.000 0.000 0.263 303 E C 0.556 177.003 176.600 -0.254 0.000 0.995 303 E CA -0.155 55.921 56.400 -0.539 0.000 0.915 303 E CB 0.479 29.948 29.700 -0.386 0.000 0.951 303 E HN 0.330 nan 8.360 nan 0.000 0.449 304 L N 3.497 124.589 121.223 -0.218 0.000 2.275 304 L HA -0.196 4.145 4.340 0.000 0.000 0.215 304 L C 2.401 179.229 176.870 -0.069 0.000 1.119 304 L CA 1.155 55.938 54.840 -0.096 0.000 0.790 304 L CB -0.475 41.550 42.059 -0.057 0.000 0.919 304 L HN 0.563 nan 8.230 nan 0.000 0.443 305 K N -0.690 119.659 120.400 -0.084 0.000 2.283 305 K HA -0.142 4.178 4.320 0.000 0.000 0.202 305 K C 0.496 177.076 176.600 -0.033 0.000 1.048 305 K CA 0.794 57.051 56.287 -0.050 0.000 0.948 305 K CB -0.230 32.240 32.500 -0.050 0.000 0.742 305 K HN 0.032 nan 8.250 nan 0.000 0.458 306 D N 3.217 123.597 120.400 -0.033 0.000 2.336 306 D HA 0.166 4.806 4.640 0.000 0.000 0.249 306 D C -2.211 174.098 176.300 0.014 0.000 1.213 306 D CA -2.317 51.688 54.000 0.008 0.000 0.870 306 D CB 1.055 41.877 40.800 0.038 0.000 1.076 306 D HN 0.158 nan 8.370 nan 0.000 0.483 307 P HA 0.233 nan 4.420 nan 0.000 0.281 307 P C -0.446 176.877 177.300 0.039 0.000 1.264 307 P CA -0.662 62.449 63.100 0.019 0.000 0.824 307 P CB 1.104 32.810 31.700 0.010 0.000 1.092 308 L N 2.432 123.672 121.223 0.027 0.000 2.315 308 L HA 0.227 4.567 4.340 0.000 0.000 0.283 308 L C 1.637 178.521 176.870 0.022 0.000 1.089 308 L CA -0.817 54.044 54.840 0.034 0.000 0.833 308 L CB 0.119 42.186 42.059 0.014 0.000 1.170 308 L HN 0.465 nan 8.230 nan 0.000 0.442 309 R N 2.599 123.123 120.500 0.039 0.000 2.678 309 R HA 0.042 4.382 4.340 0.000 0.000 0.264 309 R C -0.280 175.998 176.300 -0.036 0.000 0.995 309 R CA 0.167 56.269 56.100 0.004 0.000 1.098 309 R CB 0.374 30.682 30.300 0.012 0.000 0.949 309 R HN 0.567 nan 8.270 nan 0.000 0.422 310 S N -0.692 114.978 115.700 -0.051 0.000 2.715 310 S HA 0.274 4.745 4.470 0.000 0.000 0.307 310 S C 0.998 175.559 174.600 -0.065 0.000 1.119 310 S CA -0.762 57.396 58.200 -0.070 0.000 0.937 310 S CB 0.944 64.139 63.200 -0.009 0.000 1.150 310 S HN 0.690 nan 8.310 nan 0.000 0.521 311 H N 1.263 120.317 119.070 -0.028 0.000 2.265 311 H HA -0.156 4.401 4.556 0.000 0.000 0.293 311 H C 1.930 177.242 175.328 -0.026 0.000 1.089 311 H CA 2.809 58.837 56.048 -0.034 0.000 1.244 311 H CB -0.911 28.849 29.762 -0.003 0.000 1.355 311 H HN 0.873 nan 8.280 nan 0.000 0.485 312 H N 1.267 120.378 119.070 0.069 0.000 2.289 312 H HA -0.146 4.411 4.556 0.000 0.000 0.294 312 H C 1.602 176.892 175.328 -0.065 0.000 1.095 312 H CA 2.240 58.287 56.048 -0.002 0.000 1.256 312 H CB -0.296 29.470 29.762 0.007 0.000 1.359 312 H HN 0.336 nan 8.280 nan 0.000 0.487 313 D N 0.177 120.408 120.400 -0.282 0.000 2.123 313 D HA -0.152 4.488 4.640 0.000 0.000 0.196 313 D C 2.542 178.680 176.300 -0.269 0.000 0.992 313 D CA 1.676 55.485 54.000 -0.317 0.000 0.833 313 D CB -0.357 40.372 40.800 -0.118 0.000 0.954 313 D HN 0.524 nan 8.370 nan 0.000 0.455 314 I N 1.074 121.500 120.570 -0.239 0.000 2.439 314 I HA -0.174 3.997 4.170 0.000 0.000 0.251 314 I C 1.719 177.695 176.117 -0.235 0.000 1.139 314 I CA 0.889 61.990 61.300 -0.330 0.000 1.438 314 I CB -0.082 37.621 38.000 -0.494 0.000 1.085 314 I HN -0.154 nan 8.210 nan 0.000 0.427 315 D N 0.358 120.662 120.400 -0.159 0.000 2.234 315 D HA -0.078 4.562 4.640 0.000 0.000 0.205 315 D C 2.096 178.308 176.300 -0.147 0.000 0.962 315 D CA 1.483 55.420 54.000 -0.104 0.000 0.855 315 D CB 0.091 40.878 40.800 -0.022 0.000 0.951 315 D HN 0.344 nan 8.370 nan 0.000 0.500 316 S N -0.374 115.154 115.700 -0.287 0.000 2.556 316 S HA -0.007 4.464 4.470 0.000 0.000 0.216 316 S C 0.629 175.025 174.600 -0.339 0.000 0.970 316 S CA -0.120 57.849 58.200 -0.384 0.000 0.912 316 S CB 0.577 63.342 63.200 -0.725 0.000 0.790 316 S HN 0.070 nan 8.310 nan 0.000 0.504 317 D N 1.169 121.440 120.400 -0.215 0.000 2.907 317 D HA -0.210 4.430 4.640 0.000 0.000 0.226 317 D C -0.059 176.262 176.300 0.035 0.000 1.141 317 D CA 0.650 54.601 54.000 -0.080 0.000 0.779 317 D CB -1.884 38.901 40.800 -0.026 0.000 1.095 317 D HN 0.805 nan 8.370 nan 0.000 0.430 318 H N -1.247 117.732 119.070 -0.153 0.000 2.539 318 H HA 0.363 4.919 4.556 0.000 0.000 0.269 318 H C 1.246 176.498 175.328 -0.127 0.000 0.980 318 H CA 0.321 56.285 56.048 -0.141 0.000 1.152 318 H CB 0.526 30.176 29.762 -0.187 0.000 1.407 318 H HN 0.257 nan 8.280 nan 0.000 0.564 319 A N 1.205 124.020 122.820 -0.008 0.000 2.454 319 A HA 0.015 4.335 4.320 0.000 0.000 0.260 319 A C 0.980 178.536 177.584 -0.047 0.000 1.106 319 A CA -0.285 51.737 52.037 -0.024 0.000 0.780 319 A CB 0.451 19.440 19.000 -0.018 0.000 1.044 319 A HN 0.493 nan 8.150 nan 0.000 0.498 320 Q N 0.797 120.493 119.800 -0.174 0.000 2.331 320 Q HA -0.045 4.295 4.340 0.000 0.000 0.203 320 Q C 0.590 176.347 176.000 -0.404 0.000 0.944 320 Q CA 1.030 56.623 55.803 -0.350 0.000 0.892 320 Q CB 0.165 28.556 28.738 -0.578 0.000 0.983 320 Q HN 0.926 nan 8.270 nan 0.000 0.482 321 H N -1.964 117.151 119.070 0.075 0.000 2.788 321 H HA 0.048 4.604 4.556 0.000 0.000 0.262 321 H C 1.118 176.509 175.328 0.106 0.000 0.968 321 H CA -0.073 56.016 56.048 0.067 0.000 1.218 321 H CB -0.066 29.724 29.762 0.047 0.000 1.443 321 H HN 0.154 nan 8.280 nan 0.000 0.478 322 Y N 3.185 123.550 120.300 0.110 0.000 1.888 322 Y HA -0.412 4.139 4.550 0.000 0.000 0.236 322 Y C 2.415 178.362 175.900 0.078 0.000 1.145 322 Y CA 2.529 60.681 58.100 0.088 0.000 1.055 322 Y CB -0.094 38.398 38.460 0.054 0.000 0.893 322 Y HN 0.015 nan 8.280 nan 0.000 0.506 323 K N -0.043 120.486 120.400 0.215 0.000 2.015 323 K HA -0.276 4.045 4.320 0.000 0.000 0.216 323 K C 2.053 178.672 176.600 0.032 0.000 1.052 323 K CA 2.408 58.757 56.287 0.104 0.000 0.937 323 K CB -0.347 32.222 32.500 0.115 0.000 0.719 323 K HN 0.312 nan 8.250 nan 0.000 0.446 324 K N 0.430 120.855 120.400 0.042 0.000 2.044 324 K HA -0.195 4.126 4.320 0.000 0.000 0.210 324 K C 2.331 178.917 176.600 -0.025 0.000 1.049 324 K CA 1.509 57.803 56.287 0.011 0.000 0.927 324 K CB -0.294 32.216 32.500 0.016 0.000 0.713 324 K HN 0.226 nan 8.250 nan 0.000 0.443 325 A N 1.256 124.054 122.820 -0.037 0.000 1.835 325 A HA -0.210 4.110 4.320 0.000 0.000 0.215 325 A C 2.501 180.043 177.584 -0.070 0.000 1.199 325 A CA 1.715 53.695 52.037 -0.095 0.000 0.615 325 A CB -1.212 17.777 19.000 -0.018 0.000 0.838 325 A HN 0.460 nan 8.150 nan 0.000 0.444 326 C N -0.414 118.821 119.300 -0.108 0.000 2.385 326 C HA -0.178 4.282 4.460 0.000 0.000 0.275 326 C C 2.742 177.724 174.990 -0.014 0.000 1.207 326 C CA 1.583 60.544 59.018 -0.095 0.000 1.760 326 C CB -1.255 26.347 27.740 -0.229 0.000 2.051 326 C HN 0.628 nan 8.230 nan 0.000 0.467 327 K N -0.622 119.775 120.400 -0.005 0.000 2.103 327 K HA -0.183 4.137 4.320 0.000 0.000 0.207 327 K C 1.776 178.396 176.600 0.033 0.000 1.048 327 K CA 1.615 57.913 56.287 0.018 0.000 0.930 327 K CB -0.352 32.164 32.500 0.027 0.000 0.716 327 K HN 0.575 nan 8.250 nan 0.000 0.444 328 F N 0.545 120.395 119.950 -0.166 0.000 2.074 328 F HA -0.143 4.384 4.527 0.000 0.000 0.293 328 F C 1.872 177.573 175.800 -0.166 0.000 1.116 328 F CA 1.208 59.070 58.000 -0.230 0.000 1.212 328 F CB -0.611 38.134 39.000 -0.425 0.000 0.998 328 F HN -0.039 nan 8.300 nan 0.000 0.471 329 Y N 0.706 120.942 120.300 -0.106 0.000 2.256 329 Y HA -0.277 4.273 4.550 0.000 0.000 0.288 329 Y C 2.264 178.043 175.900 -0.201 0.000 1.155 329 Y CA 0.950 58.915 58.100 -0.225 0.000 1.203 329 Y CB -0.566 37.855 38.460 -0.065 0.000 0.980 329 Y HN 0.168 nan 8.280 nan 0.000 0.530 330 N N 0.112 118.817 118.700 0.009 0.000 2.188 330 N HA -0.150 4.590 4.740 0.000 0.000 0.184 330 N C 1.587 177.063 175.510 -0.058 0.000 1.018 330 N CA 1.159 54.203 53.050 -0.010 0.000 0.858 330 N CB -0.418 38.071 38.487 0.004 0.000 0.989 330 N HN 0.539 nan 8.380 nan 0.000 0.426 331 Q N 0.123 119.855 119.800 -0.113 0.000 2.124 331 Q HA -0.015 4.325 4.340 0.000 0.000 0.202 331 Q C 1.661 177.563 176.000 -0.164 0.000 0.977 331 Q CA 0.711 56.438 55.803 -0.126 0.000 0.850 331 Q CB 0.073 28.731 28.738 -0.133 0.000 0.901 331 Q HN 0.306 nan 8.270 nan 0.000 0.429 332 I N 0.706 121.118 120.570 -0.265 0.000 2.286 332 I HA -0.172 3.999 4.170 0.000 0.000 0.245 332 I C 2.362 178.419 176.117 -0.100 0.000 1.104 332 I CA 1.082 62.250 61.300 -0.221 0.000 1.397 332 I CB -1.501 36.325 38.000 -0.290 0.000 1.072 332 I HN 0.091 nan 8.210 nan 0.000 0.417 333 A N 0.431 123.209 122.820 -0.070 0.000 1.908 333 A HA -0.237 4.084 4.320 0.000 0.000 0.218 333 A C 2.223 179.798 177.584 -0.015 0.000 1.181 333 A CA 1.468 53.489 52.037 -0.028 0.000 0.627 333 A CB -0.643 18.351 19.000 -0.010 0.000 0.818 333 A HN 0.528 nan 8.150 nan 0.000 0.445 334 Q N -1.154 118.633 119.800 -0.023 0.000 2.224 334 Q HA -0.138 4.202 4.340 0.000 0.000 0.203 334 Q C 2.319 178.309 176.000 -0.017 0.000 0.970 334 Q CA 1.231 57.027 55.803 -0.011 0.000 0.865 334 Q CB -0.146 28.585 28.738 -0.012 0.000 0.922 334 Q HN 0.711 nan 8.270 nan 0.000 0.445 335 R N 0.859 121.343 120.500 -0.027 0.000 2.056 335 R HA -0.130 4.210 4.340 0.000 0.000 0.227 335 R C 2.416 178.709 176.300 -0.011 0.000 1.149 335 R CA 1.671 57.759 56.100 -0.019 0.000 0.937 335 R CB -0.347 29.940 30.300 -0.022 0.000 0.835 335 R HN 0.258 nan 8.270 nan 0.000 0.430 336 V N -0.790 119.128 119.914 0.008 0.000 2.392 336 V HA -0.158 3.962 4.120 0.000 0.000 0.249 336 V C 2.354 178.438 176.094 -0.017 0.000 1.059 336 V CA 1.868 64.189 62.300 0.036 0.000 1.051 336 V CB -1.328 30.536 31.823 0.069 0.000 0.658 336 V HN 0.429 nan 8.190 nan 0.000 0.455 337 A N 0.856 123.672 122.820 -0.006 0.000 1.877 337 A HA 0.091 4.411 4.320 0.000 0.000 0.216 337 A C 2.470 180.037 177.584 -0.028 0.000 1.186 337 A CA 2.395 54.432 52.037 -0.001 0.000 0.620 337 A CB -1.109 17.904 19.000 0.022 0.000 0.822 337 A HN 1.010 nan 8.150 nan 0.000 0.443 338 A N -0.266 122.533 122.820 -0.036 0.000 2.066 338 A HA -0.100 4.220 4.320 0.000 0.000 0.218 338 A C 1.706 179.234 177.584 -0.094 0.000 1.157 338 A CA 1.378 53.387 52.037 -0.046 0.000 0.670 338 A CB -0.654 18.327 19.000 -0.031 0.000 0.804 338 A HN 0.726 nan 8.150 nan 0.000 0.453 339 N N -1.316 117.289 118.700 -0.158 0.000 2.373 339 N HA 0.253 4.993 4.740 0.000 0.000 0.181 339 N C 0.904 176.097 175.510 -0.528 0.000 1.082 339 N CA 0.352 53.209 53.050 -0.322 0.000 0.885 339 N CB 0.242 38.505 38.487 -0.373 0.000 0.977 339 N HN 0.551 nan 8.380 nan 0.000 0.462 340 G N 1.124 109.730 108.800 -0.324 0.000 2.136 340 G HA2 -0.245 3.715 3.960 0.000 0.000 0.242 340 G HA3 -0.245 3.715 3.960 0.000 0.000 0.242 340 G C -0.520 174.276 174.900 -0.174 0.000 0.989 340 G CA -0.174 44.793 45.100 -0.221 0.000 0.682 340 G HN 0.528 nan 8.290 nan 0.000 0.522 341 H N 0.393 119.453 119.070 -0.017 0.000 2.467 341 H HA 0.557 5.114 4.556 0.000 0.000 0.326 341 H C 0.242 175.568 175.328 -0.003 0.000 1.094 341 H CA -0.291 55.736 56.048 -0.034 0.000 1.253 341 H CB 1.318 31.058 29.762 -0.038 0.000 1.439 341 H HN 0.154 nan 8.280 nan 0.000 0.479 342 T N 2.895 117.533 114.554 0.140 0.000 2.913 342 T HA 0.317 4.667 4.350 0.000 0.000 0.287 342 T C -0.151 174.597 174.700 0.079 0.000 1.008 342 T CA -0.625 61.542 62.100 0.112 0.000 1.067 342 T CB 1.082 70.039 68.868 0.148 0.000 0.996 342 T HN 0.193 nan 8.240 nan 0.000 0.513 343 V N 3.483 123.434 119.914 0.063 0.000 2.483 343 V HA 0.373 4.493 4.120 0.000 0.000 0.297 343 V C -0.805 175.313 176.094 0.040 0.000 1.027 343 V CA -0.925 61.393 62.300 0.031 0.000 0.855 343 V CB 1.890 33.707 31.823 -0.010 0.000 0.995 343 V HN 0.863 nan 8.190 nan 0.000 0.424 344 D N 5.006 125.449 120.400 0.071 0.000 2.248 344 D HA 0.634 5.274 4.640 0.000 0.000 0.246 344 D C -0.604 175.723 176.300 0.046 0.000 1.027 344 D CA -0.198 53.853 54.000 0.085 0.000 0.853 344 D CB 3.024 43.994 40.800 0.283 0.000 1.243 344 D HN 0.319 nan 8.370 nan 0.000 0.462 345 I N 1.613 122.126 120.570 -0.095 0.000 2.439 345 I HA 0.302 4.473 4.170 0.000 0.000 0.285 345 I C -1.030 175.004 176.117 -0.139 0.000 1.021 345 I CA -0.718 60.544 61.300 -0.064 0.000 1.091 345 I CB 1.105 39.036 38.000 -0.114 0.000 1.242 345 I HN 0.080 nan 8.210 nan 0.000 0.439 346 F N 4.822 124.831 119.950 0.099 0.000 2.449 346 F HA 0.651 5.179 4.527 0.000 0.000 0.342 346 F C 0.442 176.367 175.800 0.209 0.000 1.127 346 F CA -0.644 57.525 58.000 0.281 0.000 0.975 346 F CB 1.871 41.260 39.000 0.649 0.000 1.146 346 F HN 0.404 nan 8.300 nan 0.000 0.444 347 A N 2.057 124.948 122.820 0.119 0.000 2.276 347 A HA 0.691 5.011 4.320 0.000 0.000 0.316 347 A C 0.390 177.672 177.584 -0.504 0.000 1.229 347 A CA -0.424 51.541 52.037 -0.120 0.000 0.851 347 A CB 0.443 19.336 19.000 -0.178 0.000 1.165 347 A HN 0.951 nan 8.150 nan 0.000 0.513 348 G N 0.809 109.010 108.800 -0.998 0.000 4.766 348 G HA2 0.468 4.428 3.960 0.000 0.000 0.331 348 G HA3 0.468 4.428 3.960 0.000 0.000 0.331 348 G C -0.609 173.836 174.900 -0.759 0.000 1.473 348 G CA -0.011 44.147 45.100 -1.569 0.000 1.076 348 G HN 1.090 nan 8.290 nan 0.000 0.544 349 C N 0.467 119.480 119.300 -0.479 0.000 2.888 349 C HA 0.598 5.058 4.460 0.000 0.000 0.308 349 C C 0.714 175.549 174.990 -0.259 0.000 1.213 349 C CA -0.760 58.103 59.018 -0.258 0.000 1.461 349 C CB 0.565 28.217 27.740 -0.148 0.000 1.934 349 C HN 0.640 nan 8.230 nan 0.000 0.474 350 Y N 1.195 121.422 120.300 -0.122 0.000 2.516 350 Y HA 0.131 4.681 4.550 0.000 0.000 0.291 350 Y C 1.523 177.371 175.900 -0.086 0.000 1.131 350 Y CA 1.496 59.539 58.100 -0.096 0.000 1.281 350 Y CB 0.086 38.505 38.460 -0.067 0.000 1.013 350 Y HN 0.722 nan 8.280 nan 0.000 0.554 351 D N -1.578 118.844 120.400 0.037 0.000 2.666 351 D HA 0.194 4.834 4.640 0.000 0.000 0.252 351 D C -0.515 175.753 176.300 -0.053 0.000 1.143 351 D CA -0.470 53.529 54.000 -0.001 0.000 1.096 351 D CB 0.926 41.734 40.800 0.013 0.000 1.260 351 D HN -0.031 nan 8.370 nan 0.000 0.633 352 Q N -0.207 119.565 119.800 -0.047 0.000 2.443 352 Q HA 0.342 4.682 4.340 0.000 0.000 0.232 352 Q C 0.750 176.724 176.000 -0.043 0.000 1.026 352 Q CA 0.035 55.802 55.803 -0.061 0.000 0.924 352 Q CB 1.592 30.302 28.738 -0.047 0.000 1.256 352 Q HN 0.506 nan 8.270 nan 0.000 0.519 353 I N -4.346 116.196 120.570 -0.046 0.000 4.670 353 I HA 0.412 4.583 4.170 0.000 0.000 0.339 353 I C 0.592 176.703 176.117 -0.009 0.000 1.310 353 I CA 0.192 61.479 61.300 -0.022 0.000 1.288 353 I CB 1.078 39.057 38.000 -0.034 0.000 1.427 353 I HN 0.768 nan 8.210 nan 0.000 0.494 354 G N 2.338 111.128 108.800 -0.016 0.000 2.181 354 G HA2 -0.170 3.790 3.960 0.000 0.000 0.152 354 G HA3 -0.170 3.790 3.960 0.000 0.000 0.152 354 G C 0.467 175.333 174.900 -0.056 0.000 1.026 354 G CA 0.240 45.340 45.100 0.000 0.000 0.699 354 G HN 0.188 nan 8.290 nan 0.000 0.497 355 M N 0.305 119.865 119.600 -0.066 0.000 2.213 355 M HA -0.055 4.425 4.480 0.000 0.000 0.263 355 M C 2.594 178.871 176.300 -0.039 0.000 1.062 355 M CA 1.912 57.160 55.300 -0.086 0.000 1.105 355 M CB -0.463 32.079 32.600 -0.096 0.000 1.385 355 M HN 0.390 nan 8.290 nan 0.000 0.417 356 S N 0.418 116.130 115.700 0.020 0.000 2.402 356 S HA -0.147 4.323 4.470 0.000 0.000 0.229 356 S C 1.525 176.157 174.600 0.052 0.000 1.021 356 S CA 1.419 59.675 58.200 0.094 0.000 0.974 356 S CB -0.018 63.302 63.200 0.199 0.000 0.800 356 S HN 0.479 nan 8.310 nan 0.000 0.484 357 E N 0.041 120.229 120.200 -0.020 0.000 2.385 357 E HA 0.204 4.554 4.350 0.000 0.000 0.194 357 E C 1.753 178.341 176.600 -0.021 0.000 1.013 357 E CA 0.527 56.872 56.400 -0.092 0.000 0.866 357 E CB 0.065 29.736 29.700 -0.048 0.000 0.832 357 E HN 0.535 nan 8.360 nan 0.000 0.500 358 M N -0.117 119.392 119.600 -0.153 0.000 2.461 358 M HA 0.101 4.582 4.480 0.000 0.000 0.255 358 M C 1.930 178.135 176.300 -0.157 0.000 1.137 358 M CA 0.187 55.306 55.300 -0.300 0.000 1.086 358 M CB 0.208 32.504 32.600 -0.507 0.000 1.356 358 M HN -0.071 nan 8.290 nan 0.000 0.487 359 K N 1.323 121.668 120.400 -0.091 0.000 2.097 359 K HA -0.314 4.006 4.320 0.000 0.000 0.214 359 K C 1.901 178.482 176.600 -0.032 0.000 1.052 359 K CA 2.095 58.350 56.287 -0.052 0.000 0.932 359 K CB -0.082 32.427 32.500 0.014 0.000 0.716 359 K HN 0.103 nan 8.250 nan 0.000 0.455 360 Q N 0.647 120.442 119.800 -0.008 0.000 2.368 360 Q HA -0.041 4.299 4.340 0.000 0.000 0.210 360 Q C 1.788 177.785 176.000 -0.004 0.000 0.982 360 Q CA 1.110 56.919 55.803 0.011 0.000 0.884 360 Q CB -0.051 28.702 28.738 0.026 0.000 0.933 360 Q HN 0.480 nan 8.270 nan 0.000 0.460 361 L N -1.087 120.114 121.223 -0.037 0.000 2.109 361 L HA -0.103 4.237 4.340 0.000 0.000 0.207 361 L C 2.218 179.072 176.870 -0.026 0.000 1.086 361 L CA 1.647 56.461 54.840 -0.043 0.000 0.760 361 L CB -0.533 41.470 42.059 -0.093 0.000 0.910 361 L HN 0.349 nan 8.230 nan 0.000 0.437 362 T N -5.111 109.416 114.554 -0.044 0.000 2.983 362 T HA -0.031 4.320 4.350 0.000 0.000 0.250 362 T C 1.367 176.066 174.700 -0.002 0.000 1.037 362 T CA 0.587 62.676 62.100 -0.019 0.000 1.142 362 T CB -0.264 68.543 68.868 -0.101 0.000 0.876 362 T HN 0.066 nan 8.240 nan 0.000 0.455 363 D N 1.638 122.010 120.400 -0.047 0.000 2.264 363 D HA 0.063 4.703 4.640 0.000 0.000 0.208 363 D C 2.111 178.419 176.300 0.013 0.000 0.966 363 D CA 0.718 54.638 54.000 -0.132 0.000 0.864 363 D CB -0.217 40.549 40.800 -0.056 0.000 0.933 363 D HN 0.372 nan 8.370 nan 0.000 0.499 364 S N -1.020 114.709 115.700 0.048 0.000 2.458 364 S HA -0.038 4.433 4.470 0.000 0.000 0.223 364 S C 1.892 176.552 174.600 0.100 0.000 1.019 364 S CA 1.084 59.335 58.200 0.085 0.000 0.937 364 S CB 0.163 63.401 63.200 0.063 0.000 0.788 364 S HN 0.482 nan 8.310 nan 0.000 0.511 365 T N -2.138 112.470 114.554 0.090 0.000 3.023 365 T HA 0.436 4.786 4.350 0.000 0.000 0.253 365 T C 1.287 176.059 174.700 0.120 0.000 1.038 365 T CA 0.613 62.771 62.100 0.097 0.000 0.962 365 T CB 0.437 69.353 68.868 0.080 0.000 1.018 365 T HN 0.446 nan 8.240 nan 0.000 0.521 366 G N 0.753 109.653 108.800 0.166 0.000 2.171 366 G HA2 0.031 3.991 3.960 0.000 0.000 0.238 366 G HA3 0.031 3.991 3.960 0.000 0.000 0.238 366 G C 0.354 175.400 174.900 0.243 0.000 1.039 366 G CA -0.227 45.015 45.100 0.236 0.000 0.759 366 G HN 0.991 nan 8.290 nan 0.000 0.501 367 G N -1.587 107.341 108.800 0.213 0.000 2.535 367 G HA2 0.704 4.664 3.960 0.000 0.000 0.303 367 G HA3 0.704 4.664 3.960 0.000 0.000 0.303 367 G C 0.170 175.224 174.900 0.256 0.000 1.237 367 G CA -0.123 45.094 45.100 0.194 0.000 0.986 367 G HN 0.903 nan 8.290 nan 0.000 0.494 368 V N 0.104 120.120 119.914 0.170 0.000 2.546 368 V HA 0.396 4.516 4.120 0.000 0.000 0.284 368 V C -0.246 175.755 176.094 -0.157 0.000 1.050 368 V CA -0.358 62.016 62.300 0.124 0.000 0.981 368 V CB 1.261 33.118 31.823 0.056 0.000 0.990 368 V HN 0.515 nan 8.190 nan 0.000 0.474 369 L N 6.392 127.480 121.223 -0.225 0.000 2.442 369 L HA 0.635 4.975 4.340 0.000 0.000 0.261 369 L C -1.153 175.651 176.870 -0.110 0.000 1.000 369 L CA -0.154 54.455 54.840 -0.386 0.000 0.882 369 L CB 1.275 42.817 42.059 -0.861 0.000 1.207 369 L HN 0.598 nan 8.230 nan 0.000 0.443 370 L N 5.074 126.174 121.223 -0.205 0.000 2.341 370 L HA 0.661 5.002 4.340 0.000 0.000 0.278 370 L C -1.504 175.182 176.870 -0.307 0.000 1.005 370 L CA -0.506 54.282 54.840 -0.087 0.000 0.818 370 L CB 1.832 43.869 42.059 -0.036 0.000 1.259 370 L HN 0.615 nan 8.230 nan 0.000 0.418 371 L N 5.500 126.229 121.223 -0.823 0.000 2.337 371 L HA 0.640 4.980 4.340 0.000 0.000 0.269 371 L C -0.207 176.303 176.870 -0.601 0.000 1.018 371 L CA 0.186 54.545 54.840 -0.800 0.000 0.876 371 L CB 0.914 42.301 42.059 -1.120 0.000 1.236 371 L HN 0.832 nan 8.230 nan 0.000 0.436 372 T N -1.101 113.243 114.554 -0.350 0.000 2.940 372 T HA 0.443 4.793 4.350 0.000 0.000 0.288 372 T C 0.452 174.918 174.700 -0.390 0.000 1.045 372 T CA -0.666 61.267 62.100 -0.280 0.000 1.018 372 T CB 1.343 70.143 68.868 -0.114 0.000 1.151 372 T HN 0.403 nan 8.240 nan 0.000 0.529 373 D N 0.653 120.790 120.400 -0.438 0.000 2.317 373 D HA 0.363 5.003 4.640 0.000 0.000 0.211 373 D C 0.736 176.587 176.300 -0.749 0.000 0.966 373 D CA 0.916 54.491 54.000 -0.709 0.000 0.876 373 D CB 0.182 40.346 40.800 -1.060 0.000 0.927 373 D HN 0.905 nan 8.370 nan 0.000 0.519 374 A N -0.844 121.630 122.820 -0.577 0.000 2.581 374 A HA 0.351 4.671 4.320 0.000 0.000 0.294 374 A C -0.707 176.580 177.584 -0.495 0.000 1.035 374 A CA -0.770 50.941 52.037 -0.542 0.000 0.684 374 A CB -0.318 18.505 19.000 -0.295 0.000 1.282 374 A HN -0.057 nan 8.150 nan 0.000 0.417 375 F N 1.281 121.019 119.950 -0.354 0.000 2.773 375 F HA -0.023 4.504 4.527 0.000 0.000 0.299 375 F C 2.073 177.859 175.800 -0.024 0.000 1.204 375 F CA 1.291 58.979 58.000 -0.520 0.000 1.454 375 F CB 0.142 38.717 39.000 -0.708 0.000 1.117 375 F HN 0.521 nan 8.300 nan 0.000 0.590 376 S N -2.358 113.405 115.700 0.105 0.000 2.524 376 S HA 0.031 4.501 4.470 0.000 0.000 0.215 376 S C 0.920 175.595 174.600 0.126 0.000 0.986 376 S CA -0.073 58.204 58.200 0.128 0.000 0.911 376 S CB -0.919 62.328 63.200 0.078 0.000 0.805 376 S HN 0.273 nan 8.310 nan 0.000 0.501 377 T N 0.089 114.708 114.554 0.108 0.000 2.900 377 T HA 0.631 4.981 4.350 0.000 0.000 0.307 377 T C 1.443 176.234 174.700 0.152 0.000 1.065 377 T CA -0.111 62.046 62.100 0.095 0.000 1.105 377 T CB 1.174 70.064 68.868 0.036 0.000 0.979 377 T HN 0.202 nan 8.240 nan 0.000 0.544 378 A N 2.518 125.404 122.820 0.110 0.000 1.902 378 A HA 0.015 4.335 4.320 0.000 0.000 0.217 378 A C 2.283 179.934 177.584 0.111 0.000 1.181 378 A CA 1.285 53.384 52.037 0.104 0.000 0.623 378 A CB -0.942 18.107 19.000 0.083 0.000 0.818 378 A HN 0.924 nan 8.150 nan 0.000 0.443 379 I N -1.747 118.889 120.570 0.111 0.000 2.091 379 I HA -0.311 3.860 4.170 0.000 0.000 0.239 379 I C 2.389 178.601 176.117 0.159 0.000 1.061 379 I CA 2.218 63.583 61.300 0.110 0.000 1.317 379 I CB -0.481 37.578 38.000 0.099 0.000 1.031 379 I HN 0.485 nan 8.210 nan 0.000 0.401 380 F N 1.970 121.989 119.950 0.114 0.000 2.075 380 F HA -0.238 4.289 4.527 0.000 0.000 0.297 380 F C 2.516 178.482 175.800 0.276 0.000 1.113 380 F CA 1.767 59.899 58.000 0.219 0.000 1.218 380 F CB -0.366 38.749 39.000 0.191 0.000 0.984 380 F HN -0.136 nan 8.300 nan 0.000 0.472 381 K N -0.195 120.232 120.400 0.045 0.000 2.063 381 K HA -0.232 4.088 4.320 0.000 0.000 0.208 381 K C 2.111 178.706 176.600 -0.009 0.000 1.048 381 K CA 2.064 58.331 56.287 -0.033 0.000 0.928 381 K CB -0.397 32.182 32.500 0.131 0.000 0.713 381 K HN 0.497 nan 8.250 nan 0.000 0.442 382 Q N 0.198 120.023 119.800 0.040 0.000 2.033 382 Q HA -0.029 4.311 4.340 0.000 0.000 0.196 382 Q C 2.304 178.372 176.000 0.114 0.000 0.970 382 Q CA 1.192 57.036 55.803 0.069 0.000 0.828 382 Q CB 0.075 28.849 28.738 0.060 0.000 0.895 382 Q HN 0.171 nan 8.270 nan 0.000 0.440 383 S N 0.435 116.198 115.700 0.104 0.000 2.400 383 S HA -0.200 4.271 4.470 0.000 0.000 0.232 383 S C 1.621 176.475 174.600 0.423 0.000 1.025 383 S CA 1.183 59.491 58.200 0.180 0.000 0.993 383 S CB -0.380 62.818 63.200 -0.002 0.000 0.808 383 S HN 0.397 nan 8.310 nan 0.000 0.478 384 Y N 1.995 122.360 120.300 0.109 0.000 2.242 384 Y HA 0.000 4.550 4.550 0.000 0.000 0.291 384 Y C 1.698 177.797 175.900 0.332 0.000 1.137 384 Y CA 1.103 59.276 58.100 0.121 0.000 1.181 384 Y CB -0.342 37.842 38.460 -0.461 0.000 0.989 384 Y HN 0.166 nan 8.280 nan 0.000 0.527 385 L N -0.533 120.770 121.223 0.133 0.000 2.395 385 L HA -0.046 4.295 4.340 0.000 0.000 0.218 385 L C 2.365 179.363 176.870 0.213 0.000 1.130 385 L CA 0.614 55.530 54.840 0.127 0.000 0.826 385 L CB -0.335 41.773 42.059 0.082 0.000 0.941 385 L HN 0.070 nan 8.230 nan 0.000 0.451 386 R N -0.227 120.420 120.500 0.245 0.000 2.090 386 R HA -0.104 4.237 4.340 0.000 0.000 0.228 386 R C 2.169 178.509 176.300 0.068 0.000 1.110 386 R CA 0.768 57.002 56.100 0.224 0.000 0.973 386 R CB -0.362 30.169 30.300 0.385 0.000 0.869 386 R HN 0.153 nan 8.270 nan 0.000 0.440 387 L N 0.502 121.718 121.223 -0.010 0.000 2.197 387 L HA -0.160 4.180 4.340 0.000 0.000 0.215 387 L C 0.964 177.522 176.870 -0.519 0.000 1.095 387 L CA 1.766 56.368 54.840 -0.395 0.000 0.764 387 L CB -0.200 41.591 42.059 -0.448 0.000 0.897 387 L HN 0.041 nan 8.230 nan 0.000 0.436 388 F N -0.071 119.839 119.950 -0.066 0.000 2.645 388 F HA 0.463 4.990 4.527 0.000 0.000 0.300 388 F C 1.414 177.195 175.800 -0.032 0.000 1.115 388 F CA -0.193 57.774 58.000 -0.055 0.000 1.355 388 F CB -1.272 37.663 39.000 -0.108 0.000 1.026 388 F HN 0.033 nan 8.300 nan 0.000 0.536 389 A N 1.070 123.936 122.820 0.076 0.000 2.547 389 A HA 0.273 4.593 4.320 0.000 0.000 0.233 389 A C 0.466 178.077 177.584 0.045 0.000 1.067 389 A CA 0.143 52.220 52.037 0.067 0.000 0.763 389 A CB 0.240 19.280 19.000 0.066 0.000 1.007 389 A HN 0.421 nan 8.150 nan 0.000 0.506 390 K N 0.286 120.712 120.400 0.044 0.000 2.340 390 K HA 0.443 4.764 4.320 0.000 0.000 0.244 390 K C -0.985 175.634 176.600 0.031 0.000 0.973 390 K CA -0.762 55.547 56.287 0.037 0.000 0.828 390 K CB 1.442 33.961 32.500 0.031 0.000 1.226 390 K HN 0.832 nan 8.250 nan 0.000 0.437 391 D N 0.049 120.478 120.400 0.048 0.000 2.478 391 D HA 0.026 4.666 4.640 0.000 0.000 0.269 391 D C 0.713 177.045 176.300 0.054 0.000 1.232 391 D CA -0.322 53.713 54.000 0.058 0.000 1.059 391 D CB 0.467 41.328 40.800 0.102 0.000 1.104 391 D HN 0.331 nan 8.370 nan 0.000 0.566 392 E N -0.288 119.947 120.200 0.059 0.000 2.130 392 E HA -0.198 4.153 4.350 0.000 0.000 0.196 392 E C 1.383 178.003 176.600 0.033 0.000 0.998 392 E CA 1.311 57.737 56.400 0.043 0.000 0.806 392 E CB -0.239 29.489 29.700 0.047 0.000 0.738 392 E HN 0.535 nan 8.360 nan 0.000 0.459 393 E N -0.743 119.500 120.200 0.072 0.000 2.502 393 E HA 0.139 4.489 4.350 0.000 0.000 0.194 393 E C 1.015 177.508 176.600 -0.178 0.000 1.062 393 E CA 0.630 57.051 56.400 0.035 0.000 0.867 393 E CB 0.209 30.041 29.700 0.221 0.000 0.888 393 E HN 0.371 nan 8.360 nan 0.000 0.510 394 G N -0.281 108.441 108.800 -0.130 0.000 2.132 394 G HA2 -0.293 3.668 3.960 0.000 0.000 0.234 394 G HA3 -0.293 3.668 3.960 0.000 0.000 0.234 394 G C -0.361 174.374 174.900 -0.274 0.000 0.989 394 G CA -0.162 44.805 45.100 -0.223 0.000 0.676 394 G HN 0.272 nan 8.290 nan 0.000 0.522 395 Y N -0.421 119.913 120.300 0.057 0.000 2.420 395 Y HA 0.648 5.198 4.550 0.000 0.000 0.334 395 Y C 1.349 177.252 175.900 0.004 0.000 1.094 395 Y CA -1.284 56.844 58.100 0.047 0.000 1.126 395 Y CB 0.977 39.478 38.460 0.069 0.000 1.217 395 Y HN 0.080 nan 8.280 nan 0.000 0.462 396 L N 3.089 124.424 121.223 0.187 0.000 2.578 396 L HA -0.087 4.253 4.340 0.000 0.000 0.279 396 L C 1.243 178.092 176.870 -0.035 0.000 1.227 396 L CA 0.416 55.308 54.840 0.087 0.000 0.900 396 L CB 0.348 42.495 42.059 0.146 0.000 1.144 396 L HN 0.746 nan 8.230 nan 0.000 0.496 397 K N 3.102 123.455 120.400 -0.078 0.000 2.283 397 K HA -0.056 4.264 4.320 0.000 0.000 0.202 397 K C 0.825 177.273 176.600 -0.254 0.000 1.048 397 K CA 0.629 56.816 56.287 -0.167 0.000 0.948 397 K CB -0.004 32.385 32.500 -0.185 0.000 0.742 397 K HN 0.633 nan 8.250 nan 0.000 0.458 398 M N 0.051 119.492 119.600 -0.263 0.000 2.250 398 M HA 0.267 4.747 4.480 0.000 0.000 0.325 398 M C -0.274 175.713 176.300 -0.522 0.000 1.084 398 M CA 0.292 55.349 55.300 -0.405 0.000 1.161 398 M CB 0.586 32.930 32.600 -0.425 0.000 1.481 398 M HN -0.134 nan 8.290 nan 0.000 0.449 399 A N 2.260 124.686 122.820 -0.656 0.000 2.515 399 A HA 0.924 5.244 4.320 0.000 0.000 0.296 399 A C -1.537 175.630 177.584 -0.694 0.000 1.094 399 A CA -0.791 50.944 52.037 -0.503 0.000 0.718 399 A CB 1.229 20.086 19.000 -0.238 0.000 1.307 399 A HN 0.857 nan 8.150 nan 0.000 0.408 400 F N -0.331 119.647 119.950 0.046 0.000 2.654 400 F HA 0.551 5.078 4.527 0.000 0.000 0.334 400 F C 0.950 176.783 175.800 0.055 0.000 1.078 400 F CA -0.519 57.487 58.000 0.011 0.000 0.986 400 F CB 0.976 39.960 39.000 -0.027 0.000 1.362 400 F HN 0.629 nan 8.300 nan 0.000 0.498 401 N N 0.690 119.540 118.700 0.251 0.000 2.699 401 N HA -0.153 4.587 4.740 0.000 0.000 0.256 401 N C -0.499 175.095 175.510 0.140 0.000 0.993 401 N CA 0.566 53.703 53.050 0.145 0.000 0.759 401 N CB -0.850 37.704 38.487 0.113 0.000 0.906 401 N HN 0.993 nan 8.380 nan 0.000 0.541 402 G N 1.019 109.888 108.800 0.114 0.000 2.432 402 G HA2 0.328 4.289 3.960 0.000 0.000 0.257 402 G HA3 0.328 4.289 3.960 0.000 0.000 0.257 402 G C -0.241 174.706 174.900 0.077 0.000 1.238 402 G CA -0.474 44.686 45.100 0.099 0.000 0.838 402 G HN 0.495 nan 8.290 nan 0.000 0.547 403 N N 2.124 120.879 118.700 0.092 0.000 2.577 403 N HA 0.194 4.934 4.740 0.000 0.000 0.275 403 N C -1.090 174.479 175.510 0.099 0.000 1.091 403 N CA -0.411 52.687 53.050 0.080 0.000 0.843 403 N CB 1.449 39.975 38.487 0.065 0.000 1.295 403 N HN 0.455 nan 8.380 nan 0.000 0.530 404 M N 3.326 122.994 119.600 0.114 0.000 2.129 404 M HA 0.544 5.024 4.480 0.000 0.000 0.348 404 M C -0.940 175.486 176.300 0.210 0.000 1.116 404 M CA -0.480 54.920 55.300 0.168 0.000 1.022 404 M CB 1.060 33.739 32.600 0.132 0.000 1.599 404 M HN 0.537 nan 8.290 nan 0.000 0.449 405 A N 4.937 127.855 122.820 0.163 0.000 2.342 405 A HA 0.719 5.040 4.320 0.000 0.000 0.323 405 A C -1.224 176.422 177.584 0.104 0.000 1.125 405 A CA -0.634 51.460 52.037 0.095 0.000 0.785 405 A CB 1.384 20.407 19.000 0.038 0.000 1.221 405 A HN 0.625 nan 8.150 nan 0.000 0.463 406 V N 4.443 124.406 119.914 0.082 0.000 2.334 406 V HA 0.313 4.433 4.120 0.000 0.000 0.281 406 V C -0.493 175.590 176.094 -0.017 0.000 1.016 406 V CA -0.716 61.578 62.300 -0.010 0.000 0.832 406 V CB 1.283 33.152 31.823 0.076 0.000 0.999 406 V HN 0.815 nan 8.190 nan 0.000 0.439 407 K N 3.536 123.902 120.400 -0.058 0.000 2.185 407 K HA 0.676 4.996 4.320 0.000 0.000 0.269 407 K C 0.056 176.651 176.600 -0.007 0.000 0.987 407 K CA -0.332 55.948 56.287 -0.011 0.000 0.865 407 K CB 2.014 34.516 32.500 0.002 0.000 1.090 407 K HN 0.809 nan 8.250 nan 0.000 0.450 408 T N -1.888 112.692 114.554 0.043 0.000 2.906 408 T HA 0.456 4.806 4.350 0.000 0.000 0.295 408 T C 0.277 175.018 174.700 0.068 0.000 1.075 408 T CA -0.770 61.365 62.100 0.058 0.000 1.005 408 T CB 1.391 70.331 68.868 0.118 0.000 1.136 408 T HN 0.272 nan 8.240 nan 0.000 0.498 409 S N 0.389 116.139 115.700 0.084 0.000 2.617 409 S HA 0.190 4.660 4.470 0.000 0.000 0.259 409 S C 1.460 176.110 174.600 0.084 0.000 1.301 409 S CA -0.913 57.348 58.200 0.103 0.000 0.984 409 S CB 0.360 63.659 63.200 0.165 0.000 0.954 409 S HN 0.774 nan 8.310 nan 0.000 0.572 410 K N 0.673 121.123 120.400 0.084 0.000 2.211 410 K HA -0.136 4.184 4.320 0.000 0.000 0.204 410 K C 0.149 176.795 176.600 0.077 0.000 1.047 410 K CA 1.446 57.776 56.287 0.072 0.000 0.935 410 K CB -0.383 32.158 32.500 0.068 0.000 0.728 410 K HN 0.587 nan 8.250 nan 0.000 0.452 411 D N 0.523 120.975 120.400 0.085 0.000 2.690 411 D HA 0.159 4.799 4.640 0.000 0.000 0.236 411 D C -0.526 175.819 176.300 0.074 0.000 1.218 411 D CA -0.143 53.904 54.000 0.079 0.000 0.829 411 D CB 0.046 40.894 40.800 0.080 0.000 1.009 411 D HN -0.112 nan 8.370 nan 0.000 0.482 412 L N 0.150 121.425 121.223 0.086 0.000 2.588 412 L HA 0.349 4.689 4.340 0.000 0.000 0.263 412 L C -1.527 175.434 176.870 0.151 0.000 0.935 412 L CA -0.486 54.420 54.840 0.111 0.000 0.891 412 L CB 1.832 43.940 42.059 0.082 0.000 1.318 412 L HN -0.229 nan 8.230 nan 0.000 0.409 413 K N 2.643 123.150 120.400 0.177 0.000 2.238 413 K HA 0.749 5.070 4.320 0.000 0.000 0.239 413 K C -1.226 175.509 176.600 0.225 0.000 0.987 413 K CA -0.781 55.603 56.287 0.162 0.000 0.857 413 K CB 2.541 35.106 32.500 0.108 0.000 1.154 413 K HN 0.322 nan 8.250 nan 0.000 0.439 414 V N 2.410 122.412 119.914 0.146 0.000 2.398 414 V HA 0.163 4.283 4.120 0.000 0.000 0.286 414 V C 1.059 177.198 176.094 0.075 0.000 1.026 414 V CA -0.230 62.111 62.300 0.069 0.000 0.868 414 V CB 1.439 33.312 31.823 0.083 0.000 0.982 414 V HN 0.663 nan 8.190 nan 0.000 0.443 415 Q N 2.882 122.716 119.800 0.057 0.000 2.339 415 Q HA 0.369 4.709 4.340 0.000 0.000 0.205 415 Q C 0.839 176.921 176.000 0.136 0.000 0.925 415 Q CA 0.729 56.588 55.803 0.093 0.000 0.898 415 Q CB 1.069 29.864 28.738 0.095 0.000 1.013 415 Q HN 1.000 nan 8.270 nan 0.000 0.504 416 G N 0.299 109.212 108.800 0.187 0.000 2.352 416 G HA2 0.191 4.151 3.960 0.000 0.000 0.302 416 G HA3 0.191 4.151 3.960 0.000 0.000 0.302 416 G C -2.356 172.561 174.900 0.028 0.000 1.370 416 G CA -0.925 44.332 45.100 0.262 0.000 0.918 416 G HN 0.077 nan 8.290 nan 0.000 0.610 417 L N -0.204 120.882 121.223 -0.227 0.000 2.362 417 L HA 0.906 5.246 4.340 0.000 0.000 0.271 417 L C -0.790 175.931 176.870 -0.249 0.000 1.002 417 L CA -1.251 53.251 54.840 -0.564 0.000 0.818 417 L CB 1.625 42.751 42.059 -1.555 0.000 1.298 417 L HN 0.524 nan 8.230 nan 0.000 0.420 418 I N 5.101 125.595 120.570 -0.127 0.000 2.466 418 I HA 0.692 4.862 4.170 0.000 0.000 0.279 418 I C 0.142 176.213 176.117 -0.076 0.000 1.033 418 I CA -0.196 61.064 61.300 -0.067 0.000 1.123 418 I CB 1.301 39.325 38.000 0.039 0.000 1.237 418 I HN 0.833 nan 8.210 nan 0.000 0.460 419 G N 4.024 112.815 108.800 -0.015 0.000 2.364 419 G HA2 0.230 4.190 3.960 0.000 0.000 0.286 419 G HA3 0.230 4.190 3.960 0.000 0.000 0.286 419 G C -1.241 173.787 174.900 0.214 0.000 1.241 419 G CA -0.749 44.329 45.100 -0.037 0.000 0.887 419 G HN 0.564 nan 8.290 nan 0.000 0.484 420 H N 0.819 119.896 119.070 0.012 0.000 2.788 420 H HA 0.603 5.159 4.556 0.000 0.000 0.254 420 H C 0.413 175.885 175.328 0.240 0.000 1.541 420 H CA 0.223 56.344 56.048 0.122 0.000 1.295 420 H CB 0.418 30.245 29.762 0.108 0.000 1.592 420 H HN 0.730 nan 8.280 nan 0.000 0.545 421 A N 1.680 124.678 122.820 0.297 0.000 2.588 421 A HA 0.611 4.931 4.320 0.000 0.000 0.290 421 A C -0.986 176.725 177.584 0.212 0.000 1.136 421 A CA -0.748 51.432 52.037 0.238 0.000 0.681 421 A CB 2.037 21.154 19.000 0.193 0.000 1.282 421 A HN 0.395 nan 8.150 nan 0.000 0.421 422 S N -0.867 114.967 115.700 0.223 0.000 2.536 422 S HA 0.709 5.179 4.470 0.000 0.000 0.298 422 S C -0.096 174.663 174.600 0.266 0.000 1.083 422 S CA 0.149 58.470 58.200 0.201 0.000 0.995 422 S CB 1.386 64.660 63.200 0.122 0.000 1.058 422 S HN 2.031 nan 8.310 nan 0.000 0.488 423 A N 2.843 125.792 122.820 0.215 0.000 2.401 423 A HA 0.587 4.908 4.320 0.000 0.000 0.259 423 A C -0.460 177.106 177.584 -0.030 0.000 1.103 423 A CA -0.339 51.755 52.037 0.096 0.000 0.789 423 A CB 0.214 19.256 19.000 0.071 0.000 1.035 423 A HN 0.752 nan 8.150 nan 0.000 0.491 424 V N 4.226 124.041 119.914 -0.165 0.000 2.370 424 V HA 0.281 4.401 4.120 0.000 0.000 0.283 424 V C 0.334 176.328 176.094 -0.167 0.000 1.023 424 V CA -0.358 61.862 62.300 -0.134 0.000 0.857 424 V CB 1.045 32.784 31.823 -0.141 0.000 0.985 424 V HN 1.032 nan 8.190 nan 0.000 0.443 425 K N 2.627 122.966 120.400 -0.102 0.000 2.502 425 K HA 0.579 4.899 4.320 0.000 0.000 0.256 425 K C -0.136 176.420 176.600 -0.073 0.000 1.053 425 K CA -1.148 55.085 56.287 -0.091 0.000 1.002 425 K CB 0.609 33.075 32.500 -0.057 0.000 1.384 425 K HN 0.375 nan 8.250 nan 0.000 0.537 426 K N 1.007 121.373 120.400 -0.056 0.000 3.311 426 K HA -0.212 4.108 4.320 0.000 0.000 0.270 426 K C -0.237 176.338 176.600 -0.042 0.000 0.927 426 K CA 0.585 56.847 56.287 -0.040 0.000 0.706 426 K CB -1.584 30.899 32.500 -0.029 0.000 1.418 426 K HN 0.667 nan 8.250 nan 0.000 0.459 427 T N -0.247 114.274 114.554 -0.056 0.000 2.923 427 T HA 0.221 4.571 4.350 0.000 0.000 0.281 427 T C 0.332 175.022 174.700 -0.017 0.000 0.995 427 T CA -0.480 61.590 62.100 -0.051 0.000 0.985 427 T CB 0.973 69.784 68.868 -0.094 0.000 1.114 427 T HN 0.331 nan 8.240 nan 0.000 0.548 428 D N 1.005 121.416 120.400 0.018 0.000 2.755 428 D HA 0.344 4.984 4.640 0.000 0.000 0.257 428 D C 0.294 176.650 176.300 0.094 0.000 1.291 428 D CA -0.493 53.565 54.000 0.096 0.000 0.836 428 D CB -0.078 40.852 40.800 0.216 0.000 1.059 428 D HN 0.557 nan 8.370 nan 0.000 0.486 429 A N 0.760 123.586 122.820 0.010 0.000 2.322 429 A HA 0.329 4.649 4.320 0.000 0.000 0.269 429 A C 0.970 178.539 177.584 -0.026 0.000 1.094 429 A CA -0.622 51.414 52.037 -0.003 0.000 0.807 429 A CB 0.656 19.633 19.000 -0.039 0.000 1.047 429 A HN 0.185 nan 8.150 nan 0.000 0.487 430 N N 0.887 119.577 118.700 -0.017 0.000 2.454 430 N HA -0.091 4.649 4.740 0.000 0.000 0.177 430 N C 0.425 175.933 175.510 -0.003 0.000 1.049 430 N CA 0.616 53.648 53.050 -0.029 0.000 0.887 430 N CB -0.144 38.327 38.487 -0.026 0.000 1.095 430 N HN 0.804 nan 8.380 nan 0.000 0.446 431 N N 1.667 120.375 118.700 0.015 0.000 2.466 431 N HA 0.018 4.758 4.740 0.000 0.000 0.211 431 N C -0.197 175.337 175.510 0.039 0.000 1.256 431 N CA -0.005 53.071 53.050 0.042 0.000 0.840 431 N CB -0.589 37.939 38.487 0.069 0.000 1.079 431 N HN 0.263 nan 8.380 nan 0.000 0.466 432 I N 0.252 120.829 120.570 0.011 0.000 2.325 432 I HA 0.084 4.254 4.170 0.000 0.000 0.291 432 I C 0.664 176.795 176.117 0.023 0.000 1.019 432 I CA -0.651 60.653 61.300 0.006 0.000 1.302 432 I CB 1.212 39.195 38.000 -0.028 0.000 1.401 432 I HN 0.019 nan 8.210 nan 0.000 0.485 433 S N 3.760 119.486 115.700 0.042 0.000 2.603 433 S HA 0.128 4.598 4.470 0.000 0.000 0.268 433 S C 0.990 175.611 174.600 0.035 0.000 1.317 433 S CA -0.443 57.785 58.200 0.047 0.000 1.012 433 S CB 0.915 64.154 63.200 0.066 0.000 0.926 433 S HN 0.619 nan 8.310 nan 0.000 0.539 434 E N 1.624 121.843 120.200 0.033 0.000 2.158 434 E HA 0.122 4.472 4.350 0.000 0.000 0.191 434 E C 0.698 177.315 176.600 0.029 0.000 0.982 434 E CA 0.391 56.807 56.400 0.026 0.000 0.823 434 E CB -0.114 29.600 29.700 0.024 0.000 0.766 434 E HN 0.342 nan 8.360 nan 0.000 0.468 435 S N 0.184 115.905 115.700 0.035 0.000 2.655 435 S HA 0.302 4.772 4.470 0.000 0.000 0.265 435 S C -0.049 174.569 174.600 0.031 0.000 1.240 435 S CA -0.498 57.721 58.200 0.032 0.000 0.986 435 S CB 0.693 63.914 63.200 0.036 0.000 0.985 435 S HN 0.061 nan 8.310 nan 0.000 0.562 436 E N 0.161 120.371 120.200 0.016 0.000 2.366 436 E HA 0.513 4.864 4.350 0.000 0.000 0.278 436 E C -1.432 175.141 176.600 -0.046 0.000 0.923 436 E CA -0.398 56.008 56.400 0.011 0.000 0.761 436 E CB 1.973 31.689 29.700 0.027 0.000 1.231 436 E HN 0.370 nan 8.360 nan 0.000 0.443 437 I N 2.375 122.895 120.570 -0.084 0.000 2.531 437 I HA 0.403 4.573 4.170 0.000 0.000 0.283 437 I C 0.420 176.379 176.117 -0.262 0.000 1.083 437 I CA -0.291 60.852 61.300 -0.261 0.000 1.071 437 I CB 1.399 39.092 38.000 -0.512 0.000 1.210 437 I HN 0.851 nan 8.210 nan 0.000 0.450 438 G N 6.625 115.173 108.800 -0.421 0.000 2.509 438 G HA2 -0.239 3.721 3.960 0.000 0.000 0.259 438 G HA3 -0.239 3.721 3.960 0.000 0.000 0.259 438 G C -0.085 174.737 174.900 -0.131 0.000 1.169 438 G CA -0.528 44.228 45.100 -0.573 0.000 0.953 438 G HN 0.555 nan 8.290 nan 0.000 0.563 439 I N 3.323 123.894 120.570 0.001 0.000 2.278 439 I HA 0.470 4.641 4.170 0.000 0.000 0.300 439 I C 1.415 177.738 176.117 0.344 0.000 1.174 439 I CA 0.432 61.852 61.300 0.200 0.000 1.347 439 I CB -0.268 37.908 38.000 0.294 0.000 1.473 439 I HN 0.740 nan 8.210 nan 0.000 0.595 440 G N 3.806 112.730 108.800 0.206 0.000 2.671 440 G HA2 0.582 4.542 3.960 0.000 0.000 0.275 440 G HA3 0.582 4.542 3.960 0.000 0.000 0.275 440 G C 0.484 175.450 174.900 0.110 0.000 1.368 440 G CA -0.139 45.077 45.100 0.193 0.000 1.044 440 G HN 0.788 nan 8.290 nan 0.000 0.543 441 A N -2.088 120.767 122.820 0.059 0.000 2.996 441 A HA 0.139 4.459 4.320 0.000 0.000 0.257 441 A C 0.582 178.127 177.584 -0.066 0.000 1.394 441 A CA 1.956 53.994 52.037 0.003 0.000 0.820 441 A CB -1.937 17.068 19.000 0.007 0.000 1.054 441 A HN 2.224 nan 8.150 nan 0.000 0.619 442 T N -1.921 112.563 114.554 -0.116 0.000 2.717 442 T HA 0.568 4.918 4.350 0.000 0.000 0.315 442 T C 0.247 174.660 174.700 -0.478 0.000 1.746 442 T CA 0.896 62.813 62.100 -0.304 0.000 1.001 442 T CB 0.742 69.342 68.868 -0.447 0.000 1.673 442 T HN 1.671 nan 8.240 nan 0.000 0.498 443 S N 0.557 115.902 115.700 -0.592 0.000 2.855 443 S HA 0.459 4.929 4.470 0.000 0.000 0.249 443 S C -0.173 173.929 174.600 -0.830 0.000 1.033 443 S CA -0.312 57.535 58.200 -0.588 0.000 1.038 443 S CB 0.192 63.299 63.200 -0.155 0.000 0.960 443 S HN 0.759 nan 8.310 nan 0.000 0.548 444 T N 2.011 115.816 114.554 -1.249 0.000 2.912 444 T HA 0.609 4.959 4.350 0.000 0.000 0.299 444 T C -1.545 172.610 174.700 -0.908 0.000 1.052 444 T CA -0.534 61.125 62.100 -0.735 0.000 0.996 444 T CB 1.218 69.871 68.868 -0.357 0.000 1.070 444 T HN 0.437 nan 8.240 nan 0.000 0.465 445 W N 2.131 123.416 121.300 -0.025 0.000 3.217 445 W HA 0.448 5.109 4.660 0.000 0.000 0.323 445 W C -0.724 175.772 176.519 -0.037 0.000 1.216 445 W CA -1.040 56.288 57.345 -0.028 0.000 1.194 445 W CB 2.095 31.530 29.460 -0.041 0.000 1.397 445 W HN 0.645 nan 8.180 nan 0.000 0.537 446 K N 1.022 121.533 120.400 0.185 0.000 2.259 446 K HA 0.842 5.162 4.320 0.000 0.000 0.252 446 K C -0.867 175.792 176.600 0.097 0.000 0.936 446 K CA -0.996 55.353 56.287 0.103 0.000 0.810 446 K CB 2.008 34.547 32.500 0.064 0.000 1.143 446 K HN 0.221 nan 8.250 nan 0.000 0.427 447 M N 2.793 122.429 119.600 0.060 0.000 2.006 447 M HA 0.275 4.756 4.480 0.000 0.000 0.314 447 M C 0.623 176.956 176.300 0.056 0.000 0.926 447 M CA -0.387 54.946 55.300 0.054 0.000 0.906 447 M CB 1.359 33.959 32.600 -0.001 0.000 1.422 447 M HN 0.950 nan 8.290 nan 0.000 0.397 448 A N 1.119 123.984 122.820 0.075 0.000 1.927 448 A HA -0.046 4.274 4.320 0.000 0.000 0.220 448 A C 1.112 178.787 177.584 0.152 0.000 1.185 448 A CA 1.601 53.699 52.037 0.102 0.000 0.639 448 A CB -0.032 19.023 19.000 0.092 0.000 0.820 448 A HN 0.609 nan 8.150 nan 0.000 0.451 449 S N -1.486 114.253 115.700 0.064 0.000 2.549 449 S HA 0.648 5.119 4.470 0.000 0.000 0.280 449 S C -1.256 173.191 174.600 -0.254 0.000 1.109 449 S CA -0.476 57.690 58.200 -0.057 0.000 0.905 449 S CB 1.409 64.611 63.200 0.004 0.000 1.081 449 S HN 0.878 nan 8.310 nan 0.000 0.477 450 L N 0.387 121.349 121.223 -0.434 0.000 2.933 450 L HA 0.975 5.316 4.340 0.000 0.000 0.271 450 L C -0.469 176.085 176.870 -0.526 0.000 1.071 450 L CA -0.975 53.427 54.840 -0.731 0.000 0.938 450 L CB 0.554 42.360 42.059 -0.423 0.000 1.534 450 L HN 0.709 nan 8.230 nan 0.000 0.396 451 S N -2.994 112.518 115.700 -0.314 0.000 2.703 451 S HA 0.749 5.219 4.470 0.000 0.000 0.273 451 S C -2.758 171.706 174.600 -0.227 0.000 1.178 451 S CA -0.802 57.269 58.200 -0.215 0.000 0.838 451 S CB 1.251 64.369 63.200 -0.138 0.000 1.178 451 S HN 0.499 nan 8.310 nan 0.000 0.494 452 P HA 0.128 nan 4.420 nan 0.000 0.239 452 P C -0.187 176.850 177.300 -0.439 0.000 1.184 452 P CA 0.999 63.782 63.100 -0.529 0.000 0.760 452 P CB -0.348 30.915 31.700 -0.728 0.000 0.884 453 Y N -2.704 117.518 120.300 -0.129 0.000 2.720 453 Y HA 0.236 4.786 4.550 0.000 0.000 0.277 453 Y C 0.306 175.967 175.900 -0.398 0.000 1.144 453 Y CA -0.916 57.052 58.100 -0.221 0.000 1.221 453 Y CB -0.032 38.310 38.460 -0.197 0.000 1.163 453 Y HN -0.002 nan 8.280 nan 0.000 0.537 454 H N -0.394 118.551 119.070 -0.208 0.000 2.547 454 H HA 0.501 5.057 4.556 0.000 0.000 0.342 454 H C -0.641 174.395 175.328 -0.487 0.000 1.048 454 H CA -0.595 55.210 56.048 -0.405 0.000 1.204 454 H CB 1.655 31.228 29.762 -0.315 0.000 1.493 454 H HN -0.042 nan 8.280 nan 0.000 0.511 455 S N 2.411 117.722 115.700 -0.648 0.000 2.526 455 S HA 0.527 4.997 4.470 0.000 0.000 0.293 455 S C -1.427 172.726 174.600 -0.745 0.000 1.092 455 S CA -0.791 57.101 58.200 -0.513 0.000 0.980 455 S CB 0.921 63.868 63.200 -0.422 0.000 1.048 455 S HN 0.404 nan 8.310 nan 0.000 0.483 456 Y N 0.437 120.569 120.300 -0.279 0.000 2.499 456 Y HA 0.709 5.259 4.550 0.000 0.000 0.347 456 Y C 0.110 175.825 175.900 -0.308 0.000 0.987 456 Y CA -1.219 56.713 58.100 -0.280 0.000 1.044 456 Y CB 1.368 39.683 38.460 -0.242 0.000 1.245 456 Y HN 0.746 nan 8.280 nan 0.000 0.461 457 A N 3.618 126.300 122.820 -0.230 0.000 2.290 457 A HA 0.801 5.121 4.320 0.000 0.000 0.310 457 A C -0.818 176.412 177.584 -0.590 0.000 1.202 457 A CA -0.538 51.240 52.037 -0.432 0.000 0.837 457 A CB 0.004 18.750 19.000 -0.424 0.000 1.139 457 A HN 0.731 nan 8.150 nan 0.000 0.509 458 I N 2.557 122.706 120.570 -0.701 0.000 2.418 458 I HA 0.342 4.512 4.170 0.000 0.000 0.287 458 I C -1.300 174.251 176.117 -0.944 0.000 1.008 458 I CA -0.243 60.634 61.300 -0.705 0.000 1.104 458 I CB 1.500 39.238 38.000 -0.437 0.000 1.264 458 I HN 0.540 nan 8.210 nan 0.000 0.438 459 F N 5.866 125.568 119.950 -0.413 0.000 2.408 459 F HA 0.548 5.075 4.527 0.000 0.000 0.344 459 F C -0.159 175.402 175.800 -0.398 0.000 1.112 459 F CA -0.515 57.329 58.000 -0.260 0.000 1.096 459 F CB 0.765 39.705 39.000 -0.102 0.000 1.129 459 F HN 0.154 nan 8.300 nan 0.000 0.486 460 F N 0.594 120.644 119.950 0.166 0.000 2.541 460 F HA 0.525 5.052 4.527 0.000 0.000 0.331 460 F C -0.086 175.752 175.800 0.063 0.000 1.057 460 F CA -1.153 56.901 58.000 0.091 0.000 0.975 460 F CB 1.552 40.561 39.000 0.014 0.000 1.246 460 F HN 0.411 nan 8.300 nan 0.000 0.484 461 E N 1.503 121.848 120.200 0.242 0.000 2.234 461 E HA 0.395 4.746 4.350 0.000 0.000 0.266 461 E C -1.325 175.337 176.600 0.104 0.000 0.877 461 E CA -0.793 55.690 56.400 0.138 0.000 0.758 461 E CB 1.332 31.099 29.700 0.112 0.000 1.170 461 E HN 0.405 nan 8.360 nan 0.000 0.415 462 I N 4.190 124.794 120.570 0.057 0.000 2.598 462 I HA 0.002 4.172 4.170 0.000 0.000 0.284 462 I C 1.387 177.541 176.117 0.062 0.000 1.140 462 I CA 0.450 61.779 61.300 0.049 0.000 1.420 462 I CB 0.231 38.249 38.000 0.031 0.000 1.387 462 I HN 0.830 nan 8.210 nan 0.000 0.553 463 A N 7.285 130.146 122.820 0.069 0.000 1.828 463 A HA -0.172 4.148 4.320 0.000 0.000 0.215 463 A C 1.270 178.888 177.584 0.057 0.000 1.203 463 A CA 0.901 52.977 52.037 0.064 0.000 0.614 463 A CB -0.570 18.470 19.000 0.067 0.000 0.844 463 A HN 0.821 nan 8.150 nan 0.000 0.445 464 N N 1.104 119.840 118.700 0.060 0.000 2.132 464 N HA -0.051 4.689 4.740 0.000 0.000 0.280 464 N C -0.087 175.453 175.510 0.050 0.000 1.318 464 N CA 0.874 53.958 53.050 0.056 0.000 0.822 464 N CB 0.189 38.715 38.487 0.065 0.000 1.058 464 N HN 0.452 nan 8.380 nan 0.000 0.489 484 L N 1.321 122.291 121.223 -0.420 0.000 2.410 484 L HA 0.780 5.120 4.340 0.000 0.000 0.270 484 L C -0.505 175.995 176.870 -0.617 0.000 0.983 484 L CA -0.899 53.605 54.840 -0.560 0.000 0.822 484 L CB 2.162 43.894 42.059 -0.546 0.000 1.285 484 L HN 0.799 nan 8.230 nan 0.000 0.409 485 A N 2.653 125.080 122.820 -0.654 0.000 2.304 485 A HA 0.772 5.093 4.320 0.000 0.000 0.323 485 A C -1.584 175.678 177.584 -0.535 0.000 1.195 485 A CA -0.253 51.537 52.037 -0.412 0.000 0.826 485 A CB 0.539 19.384 19.000 -0.257 0.000 1.184 485 A HN 0.562 nan 8.150 nan 0.000 0.496 486 Y N 0.629 120.812 120.300 -0.194 0.000 2.377 486 Y HA 0.582 5.133 4.550 0.000 0.000 0.339 486 Y C 0.556 176.359 175.900 -0.163 0.000 1.011 486 Y CA -0.181 57.787 58.100 -0.219 0.000 1.093 486 Y CB 2.632 40.984 38.460 -0.181 0.000 1.201 486 Y HN 0.582 nan 8.280 nan 0.000 0.455 487 T N 3.511 118.051 114.554 -0.024 0.000 2.848 487 T HA 0.346 4.696 4.350 0.000 0.000 0.285 487 T C -1.244 173.396 174.700 -0.099 0.000 0.995 487 T CA -0.895 61.146 62.100 -0.099 0.000 0.970 487 T CB 1.460 70.228 68.868 -0.167 0.000 0.976 487 T HN 0.560 nan 8.240 nan 0.000 0.441 488 Q N 2.460 122.153 119.800 -0.178 0.000 2.340 488 Q HA 0.591 4.931 4.340 0.000 0.000 0.268 488 Q C -1.696 174.169 176.000 -0.225 0.000 1.031 488 Q CA -0.765 54.995 55.803 -0.072 0.000 0.804 488 Q CB 1.019 29.782 28.738 0.041 0.000 1.286 488 Q HN 0.546 nan 8.270 nan 0.000 0.448 489 F N 4.417 124.362 119.950 -0.008 0.000 2.388 489 F HA 0.484 5.011 4.527 0.000 0.000 0.358 489 F C -0.144 175.711 175.800 0.091 0.000 1.122 489 F CA -0.628 57.355 58.000 -0.027 0.000 1.056 489 F CB 0.990 39.770 39.000 -0.367 0.000 1.155 489 F HN 0.363 nan 8.300 nan 0.000 0.461 490 I N 3.448 124.167 120.570 0.249 0.000 2.390 490 I HA 0.276 4.446 4.170 0.000 0.000 0.283 490 I C -0.561 175.686 176.117 0.218 0.000 1.016 490 I CA -0.279 61.148 61.300 0.211 0.000 1.151 490 I CB 1.357 39.434 38.000 0.127 0.000 1.293 490 I HN 0.499 nan 8.210 nan 0.000 0.458 491 T N 3.883 118.589 114.554 0.253 0.000 2.770 491 T HA 0.274 4.624 4.350 0.000 0.000 0.297 491 T C 0.154 175.011 174.700 0.261 0.000 0.997 491 T CA -0.310 61.924 62.100 0.224 0.000 0.949 491 T CB 1.196 70.178 68.868 0.190 0.000 0.941 491 T HN 0.387 nan 8.240 nan 0.000 0.457 492 T N 4.445 119.124 114.554 0.209 0.000 2.837 492 T HA 0.638 4.988 4.350 0.000 0.000 0.285 492 T C -0.883 173.985 174.700 0.280 0.000 0.984 492 T CA -0.350 61.866 62.100 0.193 0.000 1.049 492 T CB 0.174 69.102 68.868 0.100 0.000 0.947 492 T HN 0.658 nan 8.240 nan 0.000 0.472 493 Y N 0.699 121.027 120.300 0.048 0.000 2.713 493 Y HA 0.561 5.111 4.550 0.000 0.000 0.335 493 Y C -1.094 174.844 175.900 0.063 0.000 1.222 493 Y CA -1.487 56.640 58.100 0.044 0.000 1.061 493 Y CB 1.322 39.795 38.460 0.021 0.000 1.314 493 Y HN 0.457 nan 8.280 nan 0.000 0.453 494 Q N 2.504 122.362 119.800 0.097 0.000 2.314 494 Q HA 0.242 4.582 4.340 0.000 0.000 0.259 494 Q C -1.303 174.741 176.000 0.075 0.000 0.951 494 Q CA -0.720 55.095 55.803 0.021 0.000 0.909 494 Q CB 0.716 29.539 28.738 0.142 0.000 1.236 494 Q HN 0.814 nan 8.270 nan 0.000 0.444 495 H N 2.709 121.670 119.070 -0.183 0.000 2.525 495 H HA 0.149 4.705 4.556 0.000 0.000 0.339 495 H C 0.133 175.446 175.328 -0.025 0.000 1.109 495 H CA 0.050 56.056 56.048 -0.069 0.000 1.352 495 H CB 1.583 31.224 29.762 -0.202 0.000 1.461 495 H HN 0.801 nan 8.280 nan 0.000 0.533 496 S N 2.379 117.909 115.700 -0.283 0.000 2.537 496 S HA -0.157 4.314 4.470 0.000 0.000 0.240 496 S C 1.900 176.435 174.600 -0.108 0.000 0.981 496 S CA 1.077 59.239 58.200 -0.065 0.000 0.948 496 S CB -0.106 63.085 63.200 -0.016 0.000 0.759 496 S HN 0.713 nan 8.310 nan 0.000 0.531 497 S N 0.548 116.133 115.700 -0.192 0.000 2.607 497 S HA 0.303 4.773 4.470 0.000 0.000 0.224 497 S C 1.440 175.877 174.600 -0.272 0.000 0.969 497 S CA 0.486 58.262 58.200 -0.707 0.000 0.927 497 S CB -0.223 62.653 63.200 -0.541 0.000 0.772 497 S HN 0.727 nan 8.310 nan 0.000 0.533 498 G N 0.919 109.671 108.800 -0.079 0.000 2.130 498 G HA2 -0.181 3.780 3.960 0.000 0.000 0.216 498 G HA3 -0.181 3.780 3.960 0.000 0.000 0.216 498 G C 0.058 174.937 174.900 -0.036 0.000 0.999 498 G CA 0.083 45.167 45.100 -0.026 0.000 0.686 498 G HN 1.173 nan 8.290 nan 0.000 0.515 499 T N -2.104 112.420 114.554 -0.050 0.000 2.916 499 T HA 0.673 5.023 4.350 0.000 0.000 0.292 499 T C -0.553 174.085 174.700 -0.104 0.000 1.055 499 T CA -0.992 61.061 62.100 -0.078 0.000 1.009 499 T CB 2.174 70.966 68.868 -0.126 0.000 1.118 499 T HN 0.043 nan 8.240 nan 0.000 0.497 500 N N 1.703 120.339 118.700 -0.108 0.000 2.439 500 N HA 0.357 5.097 4.740 0.000 0.000 0.249 500 N C -0.159 175.239 175.510 -0.186 0.000 1.003 500 N CA -0.380 52.588 53.050 -0.136 0.000 0.942 500 N CB 1.260 39.705 38.487 -0.070 0.000 1.115 500 N HN 0.490 nan 8.380 nan 0.000 0.505 501 R N 1.737 122.026 120.500 -0.352 0.000 2.944 501 R HA 0.692 5.032 4.340 0.000 0.000 0.233 501 R C -0.200 176.028 176.300 -0.120 0.000 1.346 501 R CA -0.847 55.081 56.100 -0.288 0.000 1.082 501 R CB 1.463 31.498 30.300 -0.441 0.000 1.434 501 R HN 0.387 nan 8.270 nan 0.000 0.510 502 I N 1.400 122.014 120.570 0.073 0.000 2.611 502 I HA 0.292 4.462 4.170 0.000 0.000 0.287 502 I C -0.669 175.642 176.117 0.324 0.000 1.184 502 I CA -0.812 60.610 61.300 0.204 0.000 1.054 502 I CB 1.900 39.975 38.000 0.126 0.000 1.257 502 I HN 0.261 nan 8.210 nan 0.000 0.435 503 R N 4.586 125.291 120.500 0.342 0.000 2.368 503 R HA 0.719 5.059 4.340 0.000 0.000 0.302 503 R C -0.977 175.510 176.300 0.312 0.000 1.002 503 R CA -0.762 55.520 56.100 0.304 0.000 0.929 503 R CB 2.328 32.786 30.300 0.264 0.000 1.073 503 R HN 0.336 nan 8.270 nan 0.000 0.464 504 V N 2.508 122.603 119.914 0.302 0.000 2.525 504 V HA 0.338 4.458 4.120 0.000 0.000 0.299 504 V C -0.242 176.014 176.094 0.271 0.000 1.034 504 V CA -0.628 61.855 62.300 0.304 0.000 0.863 504 V CB 2.277 34.305 31.823 0.343 0.000 0.999 504 V HN 0.714 nan 8.190 nan 0.000 0.423 505 T N 3.142 117.881 114.554 0.309 0.000 2.841 505 T HA 0.608 4.958 4.350 0.000 0.000 0.283 505 T C -0.307 174.587 174.700 0.323 0.000 1.000 505 T CA -0.407 61.863 62.100 0.283 0.000 0.977 505 T CB 1.619 70.631 68.868 0.240 0.000 0.979 505 T HN 0.681 nan 8.240 nan 0.000 0.446 506 T N 2.635 117.363 114.554 0.289 0.000 2.847 506 T HA 0.613 4.963 4.350 0.000 0.000 0.291 506 T C 0.072 174.940 174.700 0.280 0.000 0.998 506 T CA -0.736 61.535 62.100 0.285 0.000 0.967 506 T CB 0.941 70.008 68.868 0.332 0.000 0.954 506 T HN 0.570 nan 8.240 nan 0.000 0.441 507 V N 0.027 120.043 119.914 0.171 0.000 3.103 507 V HA 1.087 5.207 4.120 0.000 0.000 0.318 507 V C -0.475 175.460 176.094 -0.265 0.000 1.114 507 V CA -1.441 60.902 62.300 0.072 0.000 1.020 507 V CB 1.544 33.509 31.823 0.235 0.000 1.085 507 V HN 1.113 nan 8.190 nan 0.000 0.446 508 A N 1.582 124.162 122.820 -0.400 0.000 2.488 508 A HA 0.830 5.150 4.320 0.000 0.000 0.298 508 A C -0.992 176.247 177.584 -0.575 0.000 1.044 508 A CA -0.777 50.845 52.037 -0.692 0.000 0.693 508 A CB 1.426 19.812 19.000 -1.023 0.000 1.272 508 A HN 0.909 nan 8.150 nan 0.000 0.402 509 N N 0.860 119.109 118.700 -0.752 0.000 2.321 509 N HA 0.364 5.104 4.740 0.000 0.000 0.290 509 N C -1.108 173.887 175.510 -0.860 0.000 1.212 509 N CA -0.508 52.006 53.050 -0.893 0.000 0.767 509 N CB 2.258 39.830 38.487 -1.526 0.000 1.494 509 N HN 0.818 nan 8.380 nan 0.000 0.479 510 Q N 0.911 120.289 119.800 -0.703 0.000 2.230 510 Q HA 0.511 4.852 4.340 0.000 0.000 0.248 510 Q C -1.202 174.518 176.000 -0.467 0.000 0.915 510 Q CA -0.455 55.051 55.803 -0.496 0.000 0.900 510 Q CB 0.999 29.558 28.738 -0.297 0.000 1.229 510 Q HN 0.466 nan 8.270 nan 0.000 0.439 511 L N 4.644 125.669 121.223 -0.329 0.000 2.313 511 L HA 0.533 4.873 4.340 0.000 0.000 0.283 511 L C -0.961 175.866 176.870 -0.072 0.000 1.013 511 L CA -0.490 54.240 54.840 -0.183 0.000 0.816 511 L CB 1.213 43.153 42.059 -0.198 0.000 1.236 511 L HN 0.551 nan 8.230 nan 0.000 0.419 512 L N 4.137 125.343 121.223 -0.029 0.000 2.388 512 L HA 0.603 4.944 4.340 0.000 0.000 0.264 512 L C -2.357 174.525 176.870 0.021 0.000 0.998 512 L CA -2.037 52.805 54.840 0.003 0.000 0.817 512 L CB 2.423 44.480 42.059 -0.003 0.000 1.338 512 L HN 0.279 nan 8.230 nan 0.000 0.414 513 P HA -0.098 nan 4.420 nan 0.000 0.271 513 P C -0.348 177.003 177.300 0.086 0.000 1.233 513 P CA -0.160 62.986 63.100 0.077 0.000 0.795 513 P CB 0.303 32.054 31.700 0.085 0.000 0.936 514 F N 1.722 121.669 119.950 -0.005 0.000 2.292 514 F HA 0.048 4.575 4.527 0.000 0.000 0.369 514 F C 1.369 177.155 175.800 -0.023 0.000 1.045 514 F CA 1.632 59.622 58.000 -0.016 0.000 0.937 514 F CB -1.213 37.776 39.000 -0.019 0.000 0.852 514 F HN 0.564 nan 8.300 nan 0.000 0.521 515 G N 2.723 111.302 108.800 -0.368 0.000 2.131 515 G HA2 -0.256 3.704 3.960 0.000 0.000 0.223 515 G HA3 -0.256 3.704 3.960 0.000 0.000 0.223 515 G C 0.216 175.096 174.900 -0.034 0.000 0.990 515 G CA -0.029 44.936 45.100 -0.224 0.000 0.671 515 G HN 0.785 nan 8.290 nan 0.000 0.521 516 T N 1.461 116.009 114.554 -0.009 0.000 2.940 516 T HA 0.342 4.693 4.350 0.000 0.000 0.309 516 T C -0.331 174.391 174.700 0.036 0.000 1.056 516 T CA 0.112 62.227 62.100 0.025 0.000 1.137 516 T CB 1.413 70.298 68.868 0.027 0.000 0.976 516 T HN 0.044 nan 8.240 nan 0.000 0.547 517 P HA -0.074 nan 4.420 nan 0.000 0.214 517 P C 1.527 178.893 177.300 0.109 0.000 1.163 517 P CA 0.961 64.099 63.100 0.063 0.000 0.883 517 P CB -0.066 31.660 31.700 0.045 0.000 0.788 518 A N -0.955 121.920 122.820 0.092 0.000 2.139 518 A HA -0.208 4.112 4.320 0.000 0.000 0.221 518 A C 2.129 179.816 177.584 0.171 0.000 1.159 518 A CA 1.254 53.357 52.037 0.109 0.000 0.662 518 A CB -1.633 17.402 19.000 0.059 0.000 0.796 518 A HN 0.145 nan 8.150 nan 0.000 0.463 519 I N -0.532 120.147 120.570 0.182 0.000 2.113 519 I HA -0.290 3.880 4.170 0.000 0.000 0.238 519 I C 2.876 179.282 176.117 0.481 0.000 1.070 519 I CA 1.373 62.829 61.300 0.259 0.000 1.332 519 I CB -0.409 37.684 38.000 0.155 0.000 1.044 519 I HN 0.357 nan 8.210 nan 0.000 0.402 520 A N 0.332 123.456 122.820 0.507 0.000 2.168 520 A HA 0.091 4.411 4.320 0.000 0.000 0.215 520 A C 2.263 180.188 177.584 0.569 0.000 1.152 520 A CA 1.307 53.748 52.037 0.675 0.000 0.716 520 A CB -0.519 18.855 19.000 0.623 0.000 0.794 520 A HN 0.458 nan 8.150 nan 0.000 0.465 521 A N -0.088 122.966 122.820 0.391 0.000 2.218 521 A HA 0.210 4.530 4.320 0.000 0.000 0.209 521 A C 1.814 179.595 177.584 0.328 0.000 1.168 521 A CA 1.217 53.445 52.037 0.318 0.000 0.804 521 A CB -0.350 18.767 19.000 0.195 0.000 0.834 521 A HN 0.891 nan 8.150 nan 0.000 0.482 522 S N -1.469 114.457 115.700 0.377 0.000 2.663 522 S HA 0.336 4.806 4.470 0.000 0.000 0.243 522 S C -0.087 174.797 174.600 0.473 0.000 1.009 522 S CA -0.615 57.784 58.200 0.332 0.000 0.988 522 S CB -0.701 62.626 63.200 0.211 0.000 0.896 522 S HN 0.313 nan 8.310 nan 0.000 0.502 523 F N 3.376 123.477 119.950 0.253 0.000 2.467 523 F HA 0.441 4.968 4.527 0.000 0.000 0.362 523 F C 0.014 175.639 175.800 -0.293 0.000 1.090 523 F CA -0.557 57.297 58.000 -0.242 0.000 1.202 523 F CB 0.633 39.222 39.000 -0.686 0.000 1.113 523 F HN 0.084 nan 8.300 nan 0.000 0.541 524 D N 6.455 126.192 120.400 -1.106 0.000 2.467 524 D HA 0.063 4.703 4.640 0.000 0.000 0.220 524 D C 0.835 176.294 176.300 -1.401 0.000 1.103 524 D CA -0.187 53.077 54.000 -1.226 0.000 0.886 524 D CB 1.104 41.492 40.800 -0.687 0.000 1.025 524 D HN 0.839 nan 8.370 nan 0.000 0.514 525 Q N 2.777 121.944 119.800 -1.055 0.000 2.030 525 Q HA -0.202 4.138 4.340 0.000 0.000 0.204 525 Q C 1.072 176.888 176.000 -0.306 0.000 0.986 525 Q CA 1.126 56.635 55.803 -0.491 0.000 0.843 525 Q CB -0.154 28.636 28.738 0.087 0.000 0.904 525 Q HN 0.483 nan 8.270 nan 0.000 0.420 526 E N 1.560 121.574 120.200 -0.309 0.000 2.048 526 E HA -0.253 4.098 4.350 0.000 0.000 0.202 526 E C 2.224 178.584 176.600 -0.399 0.000 1.021 526 E CA 1.361 57.550 56.400 -0.352 0.000 0.825 526 E CB -0.350 29.183 29.700 -0.278 0.000 0.756 526 E HN 0.538 nan 8.360 nan 0.000 0.454 527 A N 1.434 124.011 122.820 -0.404 0.000 1.948 527 A HA -0.182 4.138 4.320 0.000 0.000 0.220 527 A C 2.396 179.789 177.584 -0.318 0.000 1.177 527 A CA 2.003 53.834 52.037 -0.343 0.000 0.636 527 A CB -0.694 18.117 19.000 -0.314 0.000 0.815 527 A HN 0.322 nan 8.150 nan 0.000 0.449 528 A N -0.418 122.144 122.820 -0.430 0.000 1.969 528 A HA 0.239 4.559 4.320 0.000 0.000 0.218 528 A C 2.461 180.058 177.584 0.021 0.000 1.169 528 A CA 1.829 53.688 52.037 -0.296 0.000 0.635 528 A CB -0.894 17.738 19.000 -0.614 0.000 0.810 528 A HN 0.999 nan 8.150 nan 0.000 0.445 529 A N -0.241 122.570 122.820 -0.015 0.000 1.845 529 A HA -0.052 4.269 4.320 0.000 0.000 0.215 529 A C 2.221 179.769 177.584 -0.059 0.000 1.195 529 A CA 1.977 53.991 52.037 -0.038 0.000 0.616 529 A CB -1.155 17.522 19.000 -0.539 0.000 0.832 529 A HN 0.435 nan 8.150 nan 0.000 0.443 530 V N 0.332 120.150 119.914 -0.159 0.000 2.287 530 V HA -0.255 3.866 4.120 0.000 0.000 0.248 530 V C 2.560 178.645 176.094 -0.015 0.000 1.053 530 V CA 1.828 64.073 62.300 -0.092 0.000 1.027 530 V CB -0.803 30.875 31.823 -0.240 0.000 0.646 530 V HN 0.518 nan 8.190 nan 0.000 0.447 531 L N -1.101 120.110 121.223 -0.021 0.000 2.093 531 L HA -0.140 4.200 4.340 0.000 0.000 0.208 531 L C 2.568 179.599 176.870 0.269 0.000 1.085 531 L CA 1.651 56.552 54.840 0.101 0.000 0.755 531 L CB -0.635 41.471 42.059 0.077 0.000 0.904 531 L HN 0.359 nan 8.230 nan 0.000 0.435 532 M N -0.631 119.127 119.600 0.264 0.000 2.175 532 M HA -0.108 4.372 4.480 0.000 0.000 0.264 532 M C 2.426 178.944 176.300 0.364 0.000 1.063 532 M CA 1.575 57.101 55.300 0.377 0.000 1.119 532 M CB -1.113 31.715 32.600 0.379 0.000 1.377 532 M HN 0.206 nan 8.290 nan 0.000 0.415 533 A N -0.596 122.375 122.820 0.253 0.000 2.014 533 A HA -0.141 4.179 4.320 0.000 0.000 0.218 533 A C 2.299 180.071 177.584 0.314 0.000 1.163 533 A CA 1.398 53.564 52.037 0.215 0.000 0.652 533 A CB -0.518 18.567 19.000 0.141 0.000 0.808 533 A HN 0.370 nan 8.150 nan 0.000 0.449 534 R N -0.148 120.533 120.500 0.302 0.000 2.090 534 R HA 0.110 4.450 4.340 0.000 0.000 0.228 534 R C 1.747 178.162 176.300 0.192 0.000 1.110 534 R CA 1.265 57.501 56.100 0.225 0.000 0.973 534 R CB -0.369 29.991 30.300 0.100 0.000 0.869 534 R HN 0.581 nan 8.270 nan 0.000 0.440 535 I N -0.118 120.559 120.570 0.178 0.000 2.353 535 I HA -0.154 4.016 4.170 0.000 0.000 0.248 535 I C 2.259 178.372 176.117 -0.006 0.000 1.119 535 I CA 0.949 62.259 61.300 0.018 0.000 1.417 535 I CB -0.395 37.559 38.000 -0.076 0.000 1.078 535 I HN 0.235 nan 8.210 nan 0.000 0.421 536 A N 1.017 123.930 122.820 0.154 0.000 1.851 536 A HA -0.172 4.149 4.320 0.000 0.000 0.216 536 A C 2.443 180.078 177.584 0.085 0.000 1.195 536 A CA 1.985 54.120 52.037 0.164 0.000 0.622 536 A CB -1.082 18.097 19.000 0.298 0.000 0.831 536 A HN 0.200 nan 8.150 nan 0.000 0.444 537 V N -0.112 119.869 119.914 0.111 0.000 2.252 537 V HA -0.355 3.766 4.120 0.000 0.000 0.249 537 V C 2.539 178.698 176.094 0.110 0.000 1.056 537 V CA 2.755 65.125 62.300 0.117 0.000 1.022 537 V CB -1.203 30.713 31.823 0.155 0.000 0.641 537 V HN 0.872 nan 8.190 nan 0.000 0.445 538 H N 0.408 119.497 119.070 0.032 0.000 2.422 538 H HA -0.154 4.402 4.556 0.000 0.000 0.298 538 H C 2.218 177.522 175.328 -0.039 0.000 1.098 538 H CA 1.993 58.042 56.048 0.002 0.000 1.315 538 H CB -0.083 29.659 29.762 -0.032 0.000 1.382 538 H HN 0.373 nan 8.280 nan 0.000 0.523 539 K N -0.337 119.993 120.400 -0.116 0.000 2.148 539 K HA -0.030 4.290 4.320 0.000 0.000 0.204 539 K C 2.395 178.913 176.600 -0.136 0.000 1.050 539 K CA 0.731 56.900 56.287 -0.197 0.000 0.942 539 K CB -0.064 32.292 32.500 -0.240 0.000 0.724 539 K HN 0.371 nan 8.250 nan 0.000 0.446 540 A N 1.608 124.393 122.820 -0.059 0.000 1.917 540 A HA -0.261 4.059 4.320 0.000 0.000 0.219 540 A C 1.890 179.457 177.584 -0.028 0.000 1.182 540 A CA 1.824 53.852 52.037 -0.015 0.000 0.633 540 A CB -0.469 18.555 19.000 0.041 0.000 0.819 540 A HN 0.211 nan 8.150 nan 0.000 0.448 541 E N -0.522 119.644 120.200 -0.058 0.000 2.026 541 E HA -0.153 4.197 4.350 0.000 0.000 0.206 541 E C 2.205 178.777 176.600 -0.046 0.000 1.028 541 E CA 2.211 58.586 56.400 -0.043 0.000 0.845 541 E CB -0.679 28.959 29.700 -0.102 0.000 0.772 541 E HN 0.623 nan 8.360 nan 0.000 0.462 542 T N 1.081 115.570 114.554 -0.108 0.000 2.613 542 T HA -0.069 4.282 4.350 0.000 0.000 0.248 542 T C 0.646 175.318 174.700 -0.047 0.000 1.107 542 T CA 0.850 62.907 62.100 -0.071 0.000 1.238 542 T CB -0.465 68.344 68.868 -0.099 0.000 0.899 542 T HN 0.127 nan 8.240 nan 0.000 0.400 543 D N 2.176 122.538 120.400 -0.063 0.000 2.325 543 D HA 0.045 4.685 4.640 0.000 0.000 0.237 543 D C -0.132 176.153 176.300 -0.024 0.000 1.328 543 D CA 0.421 54.398 54.000 -0.039 0.000 0.918 543 D CB 0.243 41.015 40.800 -0.047 0.000 1.156 543 D HN 0.492 nan 8.370 nan 0.000 0.485 544 D N -1.806 118.587 120.400 -0.011 0.000 2.252 544 D HA 0.221 4.861 4.640 0.000 0.000 0.245 544 D C 1.205 177.507 176.300 0.003 0.000 1.009 544 D CA -0.728 53.267 54.000 -0.007 0.000 0.870 544 D CB 1.268 42.063 40.800 -0.007 0.000 1.251 544 D HN 0.408 nan 8.370 nan 0.000 0.460 545 G N 1.695 110.494 108.800 -0.002 0.000 2.740 545 G HA2 -0.437 3.523 3.960 0.000 0.000 0.224 545 G HA3 -0.437 3.523 3.960 0.000 0.000 0.224 545 G C 1.463 176.379 174.900 0.027 0.000 1.156 545 G CA 2.469 47.575 45.100 0.010 0.000 0.766 545 G HN 0.753 nan 8.290 nan 0.000 0.623 546 A N 0.922 123.753 122.820 0.018 0.000 1.915 546 A HA -0.210 4.110 4.320 0.000 0.000 0.220 546 A C 2.119 179.734 177.584 0.051 0.000 1.198 546 A CA 2.636 54.688 52.037 0.025 0.000 0.647 546 A CB -0.658 18.352 19.000 0.016 0.000 0.825 546 A HN 0.405 nan 8.150 nan 0.000 0.456 547 D N -0.774 119.660 120.400 0.056 0.000 2.103 547 D HA -0.037 4.603 4.640 0.000 0.000 0.199 547 D C 2.035 178.422 176.300 0.144 0.000 0.978 547 D CA 1.243 55.295 54.000 0.086 0.000 0.829 547 D CB -0.586 40.248 40.800 0.057 0.000 0.981 547 D HN 0.211 nan 8.370 nan 0.000 0.464 548 V N 1.236 121.222 119.914 0.119 0.000 2.255 548 V HA -0.228 3.893 4.120 0.000 0.000 0.247 548 V C 2.457 178.709 176.094 0.263 0.000 1.051 548 V CA 1.294 63.706 62.300 0.187 0.000 1.018 548 V CB -0.455 31.432 31.823 0.106 0.000 0.641 548 V HN 0.221 nan 8.190 nan 0.000 0.445 549 I N -0.399 120.260 120.570 0.149 0.000 2.361 549 I HA -0.259 3.911 4.170 0.000 0.000 0.251 549 I C 2.715 178.900 176.117 0.113 0.000 1.133 549 I CA 1.673 63.038 61.300 0.107 0.000 1.413 549 I CB -0.432 37.588 38.000 0.034 0.000 1.073 549 I HN 0.268 nan 8.210 nan 0.000 0.424 550 R N 0.590 121.167 120.500 0.129 0.000 2.070 550 R HA -0.253 4.087 4.340 0.000 0.000 0.233 550 R C 2.347 178.741 176.300 0.157 0.000 1.137 550 R CA 2.045 58.217 56.100 0.119 0.000 0.945 550 R CB -0.587 29.781 30.300 0.115 0.000 0.845 550 R HN 0.418 nan 8.270 nan 0.000 0.430 551 W N 0.979 122.313 121.300 0.058 0.000 2.321 551 W HA -0.239 4.421 4.660 0.000 0.000 0.306 551 W C 1.621 178.199 176.519 0.099 0.000 1.217 551 W CA 1.341 58.730 57.345 0.074 0.000 1.257 551 W CB -0.469 29.029 29.460 0.063 0.000 1.145 551 W HN 0.218 nan 8.180 nan 0.000 0.509 552 L N 1.010 122.250 121.223 0.028 0.000 2.191 552 L HA -0.203 4.137 4.340 0.000 0.000 0.212 552 L C 1.912 178.697 176.870 -0.141 0.000 1.103 552 L CA 2.247 56.976 54.840 -0.186 0.000 0.769 552 L CB -0.794 41.308 42.059 0.071 0.000 0.908 552 L HN -0.014 nan 8.230 nan 0.000 0.438 553 D N -1.435 118.946 120.400 -0.031 0.000 2.197 553 D HA -0.056 4.585 4.640 0.000 0.000 0.212 553 D C 2.181 178.480 176.300 -0.001 0.000 0.963 553 D CA 0.375 54.404 54.000 0.048 0.000 0.864 553 D CB 0.024 40.878 40.800 0.090 0.000 1.009 553 D HN 0.172 nan 8.370 nan 0.000 0.479 554 R N 0.863 121.346 120.500 -0.029 0.000 2.113 554 R HA -0.136 4.204 4.340 0.000 0.000 0.244 554 R C 2.469 178.731 176.300 -0.063 0.000 1.142 554 R CA 1.832 57.921 56.100 -0.018 0.000 0.953 554 R CB -1.713 28.595 30.300 0.013 0.000 0.860 554 R HN 0.380 nan 8.270 nan 0.000 0.438 555 T N -0.129 114.288 114.554 -0.229 0.000 2.746 555 T HA -0.145 4.206 4.350 0.000 0.000 0.267 555 T C 1.959 176.658 174.700 -0.002 0.000 1.039 555 T CA 1.251 63.234 62.100 -0.196 0.000 1.142 555 T CB -0.466 68.092 68.868 -0.517 0.000 0.866 555 T HN 0.155 nan 8.240 nan 0.000 0.444 556 L N 0.324 121.573 121.223 0.044 0.000 2.353 556 L HA 0.206 4.547 4.340 0.000 0.000 0.220 556 L C 2.008 178.957 176.870 0.132 0.000 1.133 556 L CA 1.070 56.024 54.840 0.190 0.000 0.798 556 L CB -0.557 41.602 42.059 0.168 0.000 0.922 556 L HN 0.399 nan 8.230 nan 0.000 0.445 557 I N -0.896 119.718 120.570 0.074 0.000 2.404 557 I HA -0.208 3.963 4.170 0.000 0.000 0.231 557 I C 2.240 178.414 176.117 0.095 0.000 1.064 557 I CA 0.701 62.038 61.300 0.062 0.000 1.383 557 I CB -0.341 37.683 38.000 0.040 0.000 1.171 557 I HN 0.020 nan 8.210 nan 0.000 0.422 558 K N 0.493 120.945 120.400 0.086 0.000 2.259 558 K HA -0.278 4.042 4.320 0.000 0.000 0.206 558 K C 1.841 178.537 176.600 0.160 0.000 1.044 558 K CA 1.556 57.910 56.287 0.111 0.000 0.931 558 K CB -0.374 32.187 32.500 0.101 0.000 0.726 558 K HN 0.175 nan 8.250 nan 0.000 0.467 559 L N 0.654 121.979 121.223 0.170 0.000 1.950 559 L HA -0.184 4.157 4.340 0.000 0.000 0.210 559 L C 2.129 179.169 176.870 0.284 0.000 1.079 559 L CA 1.739 56.715 54.840 0.227 0.000 0.754 559 L CB -0.948 41.204 42.059 0.156 0.000 0.889 559 L HN 0.190 nan 8.230 nan 0.000 0.433 560 C N -0.093 119.363 119.300 0.259 0.000 2.391 560 C HA -0.242 4.218 4.460 0.000 0.000 0.276 560 C C 2.732 177.880 174.990 0.264 0.000 1.217 560 C CA 1.225 60.414 59.018 0.286 0.000 1.766 560 C CB -1.192 26.780 27.740 0.386 0.000 2.046 560 C HN 0.629 nan 8.230 nan 0.000 0.475 561 Q N -0.189 119.742 119.800 0.218 0.000 2.308 561 Q HA -0.240 4.100 4.340 0.000 0.000 0.209 561 Q C 2.220 178.405 176.000 0.308 0.000 0.985 561 Q CA 1.464 57.404 55.803 0.229 0.000 0.881 561 Q CB -0.134 28.689 28.738 0.141 0.000 0.917 561 Q HN 0.706 nan 8.270 nan 0.000 0.443 562 K N -1.129 119.393 120.400 0.203 0.000 2.370 562 K HA 0.007 4.327 4.320 0.000 0.000 0.194 562 K C 0.294 176.746 176.600 -0.246 0.000 1.070 562 K CA 0.229 56.526 56.287 0.017 0.000 0.998 562 K CB 0.641 33.167 32.500 0.044 0.000 0.911 562 K HN 0.096 nan 8.250 nan 0.000 0.533 563 Y N -0.099 120.163 120.300 -0.062 0.000 2.588 563 Y HA 0.419 4.970 4.550 0.000 0.000 0.247 563 Y C -0.006 175.659 175.900 -0.390 0.000 1.157 563 Y CA -0.572 57.352 58.100 -0.292 0.000 1.215 563 Y CB 1.359 39.516 38.460 -0.504 0.000 1.245 563 Y HN -0.013 nan 8.280 nan 0.000 0.534 564 A N -0.250 122.488 122.820 -0.135 0.000 2.325 564 A HA 0.521 4.841 4.320 0.000 0.000 0.333 564 A C -0.823 176.622 177.584 -0.231 0.000 1.155 564 A CA -0.701 51.143 52.037 -0.322 0.000 0.814 564 A CB 0.557 19.176 19.000 -0.635 0.000 1.206 564 A HN 0.076 nan 8.150 nan 0.000 0.482 565 D N 1.803 122.018 120.400 -0.308 0.000 2.316 565 D HA 0.480 5.120 4.640 0.000 0.000 0.245 565 D C -0.633 175.598 176.300 -0.114 0.000 1.171 565 D CA 0.924 54.786 54.000 -0.229 0.000 0.856 565 D CB 0.540 41.225 40.800 -0.192 0.000 1.090 565 D HN 0.518 nan 8.370 nan 0.000 0.476 566 Y N -0.269 119.940 120.300 -0.151 0.000 2.829 566 Y HA 0.537 5.087 4.550 0.000 0.000 0.322 566 Y C -1.169 174.711 175.900 -0.032 0.000 1.357 566 Y CA -1.326 56.736 58.100 -0.064 0.000 1.081 566 Y CB 1.353 39.820 38.460 0.011 0.000 1.339 566 Y HN -0.035 nan 8.280 nan 0.000 0.469 567 N N 0.947 119.800 118.700 0.255 0.000 2.352 567 N HA 0.229 4.969 4.740 0.000 0.000 0.291 567 N C -1.766 173.878 175.510 0.223 0.000 1.040 567 N CA -0.935 52.194 53.050 0.131 0.000 0.864 567 N CB 2.431 40.956 38.487 0.064 0.000 1.440 567 N HN 0.600 nan 8.380 nan 0.000 0.483 568 K N 1.616 122.123 120.400 0.178 0.000 2.434 568 K HA -0.175 4.145 4.320 0.000 0.000 0.266 568 K C -0.135 176.525 176.600 0.099 0.000 1.096 568 K CA 0.851 57.233 56.287 0.158 0.000 1.182 568 K CB 0.050 32.603 32.500 0.088 0.000 0.813 568 K HN 0.569 nan 8.250 nan 0.000 0.490 569 D N 1.023 121.470 120.400 0.078 0.000 3.046 569 D HA -0.197 4.443 4.640 0.000 0.000 0.210 569 D C -0.302 176.013 176.300 0.025 0.000 1.124 569 D CA 1.482 55.500 54.000 0.029 0.000 0.986 569 D CB -0.581 40.231 40.800 0.020 0.000 1.118 569 D HN 0.703 nan 8.370 nan 0.000 0.416 570 D N -0.062 120.371 120.400 0.055 0.000 2.485 570 D HA 0.292 4.932 4.640 0.000 0.000 0.229 570 D C -1.617 174.716 176.300 0.054 0.000 1.101 570 D CA -2.054 51.974 54.000 0.047 0.000 0.906 570 D CB 1.393 42.227 40.800 0.057 0.000 1.019 570 D HN -0.140 nan 8.370 nan 0.000 0.516 571 P HA -0.205 nan 4.420 nan 0.000 0.215 571 P C 0.923 178.244 177.300 0.035 0.000 1.163 571 P CA 1.423 64.516 63.100 -0.013 0.000 0.894 571 P CB 0.176 31.839 31.700 -0.063 0.000 0.791 572 Q N -0.712 119.108 119.800 0.033 0.000 2.488 572 Q HA -0.045 4.295 4.340 0.000 0.000 0.211 572 Q C 1.960 178.015 176.000 0.090 0.000 0.967 572 Q CA 1.222 57.056 55.803 0.051 0.000 0.926 572 Q CB -0.447 28.305 28.738 0.023 0.000 0.992 572 Q HN 0.377 nan 8.270 nan 0.000 0.506 573 S N -0.036 115.729 115.700 0.108 0.000 2.461 573 S HA -0.077 4.393 4.470 0.000 0.000 0.228 573 S C 0.536 175.218 174.600 0.137 0.000 1.005 573 S CA -0.398 57.863 58.200 0.100 0.000 0.942 573 S CB -0.424 62.829 63.200 0.089 0.000 0.776 573 S HN 0.337 nan 8.310 nan 0.000 0.514 574 F N 3.306 123.278 119.950 0.038 0.000 2.604 574 F HA 0.210 4.738 4.527 0.000 0.000 0.390 574 F C 0.663 176.477 175.800 0.023 0.000 1.053 574 F CA 0.438 58.462 58.000 0.041 0.000 1.256 574 F CB 0.240 39.225 39.000 -0.023 0.000 0.996 574 F HN 0.123 nan 8.300 nan 0.000 0.564 575 R N 5.626 125.853 120.500 -0.455 0.000 2.560 575 R HA 0.398 4.738 4.340 0.000 0.000 0.267 575 R C -2.058 174.006 176.300 -0.394 0.000 1.150 575 R CA -1.006 54.943 56.100 -0.251 0.000 0.997 575 R CB 1.393 31.636 30.300 -0.096 0.000 1.250 575 R HN 0.553 nan 8.270 nan 0.000 0.433 576 L N 2.505 123.595 121.223 -0.222 0.000 2.317 576 L HA 0.687 5.027 4.340 0.000 0.000 0.281 576 L C -0.052 176.789 176.870 -0.049 0.000 1.024 576 L CA -0.147 54.600 54.840 -0.155 0.000 0.810 576 L CB 1.738 43.815 42.059 0.031 0.000 1.240 576 L HN 0.828 nan 8.230 nan 0.000 0.427 577 A N 6.085 128.857 122.820 -0.080 0.000 2.406 577 A HA 0.382 4.702 4.320 0.000 0.000 0.243 577 A C -1.741 175.917 177.584 0.124 0.000 1.082 577 A CA -0.636 51.406 52.037 0.007 0.000 0.786 577 A CB -0.518 18.472 19.000 -0.017 0.000 1.029 577 A HN 0.782 nan 8.150 nan 0.000 0.495 578 P HA -0.233 nan 4.420 nan 0.000 0.214 578 P C 1.273 178.699 177.300 0.210 0.000 1.169 578 P CA 1.813 65.001 63.100 0.145 0.000 0.908 578 P CB -0.195 31.576 31.700 0.119 0.000 0.791 579 N N -0.928 117.931 118.700 0.266 0.000 2.586 579 N HA -0.185 4.555 4.740 0.000 0.000 0.191 579 N C 0.834 176.557 175.510 0.354 0.000 1.085 579 N CA 1.453 54.687 53.050 0.306 0.000 0.921 579 N CB -0.962 37.759 38.487 0.390 0.000 0.954 579 N HN 0.213 nan 8.380 nan 0.000 0.448 580 F N 0.194 120.210 119.950 0.109 0.000 2.728 580 F HA 0.239 4.766 4.527 0.000 0.000 0.314 580 F C 1.938 177.814 175.800 0.126 0.000 1.094 580 F CA -0.108 57.935 58.000 0.071 0.000 1.217 580 F CB 0.047 38.997 39.000 -0.083 0.000 1.056 580 F HN 0.059 nan 8.300 nan 0.000 0.577 581 S N -0.344 115.521 115.700 0.274 0.000 2.727 581 S HA 0.058 4.528 4.470 0.000 0.000 0.226 581 S C 1.270 175.937 174.600 0.113 0.000 0.963 581 S CA 0.580 58.888 58.200 0.180 0.000 0.950 581 S CB -0.541 62.734 63.200 0.126 0.000 0.779 581 S HN 0.423 nan 8.310 nan 0.000 0.532 582 L N -1.706 119.595 121.223 0.130 0.000 2.624 582 L HA 0.277 4.617 4.340 0.000 0.000 0.222 582 L C 2.093 178.981 176.870 0.031 0.000 1.046 582 L CA 0.184 54.996 54.840 -0.048 0.000 0.872 582 L CB -0.659 41.344 42.059 -0.095 0.000 1.190 582 L HN 0.243 nan 8.230 nan 0.000 0.487 583 Y N 2.810 123.237 120.300 0.211 0.000 2.069 583 Y HA -0.243 4.307 4.550 0.000 0.000 0.278 583 Y C -0.581 175.462 175.900 0.239 0.000 1.175 583 Y CA 2.400 60.694 58.100 0.323 0.000 1.134 583 Y CB -1.476 37.132 38.460 0.246 0.000 0.965 583 Y HN 0.077 nan 8.280 nan 0.000 0.498 584 P HA -0.255 nan 4.420 nan 0.000 0.216 584 P C 1.435 178.787 177.300 0.087 0.000 1.154 584 P CA 2.577 65.740 63.100 0.104 0.000 0.865 584 P CB -0.175 31.583 31.700 0.097 0.000 0.789 585 Q N -1.331 118.476 119.800 0.011 0.000 2.016 585 Q HA -0.157 4.184 4.340 0.000 0.000 0.200 585 Q C 2.035 178.068 176.000 0.056 0.000 0.978 585 Q CA 1.502 57.292 55.803 -0.023 0.000 0.833 585 Q CB -0.630 28.014 28.738 -0.156 0.000 0.895 585 Q HN 0.172 nan 8.270 nan 0.000 0.427 586 F N 0.152 120.152 119.950 0.083 0.000 2.120 586 F HA -0.255 4.272 4.527 0.000 0.000 0.300 586 F C 2.406 178.179 175.800 -0.044 0.000 1.095 586 F CA 1.344 59.372 58.000 0.046 0.000 1.249 586 F CB -0.211 38.752 39.000 -0.061 0.000 0.995 586 F HN 0.155 nan 8.300 nan 0.000 0.480 587 T N -1.231 113.332 114.554 0.015 0.000 2.962 587 T HA -0.219 4.131 4.350 0.000 0.000 0.270 587 T C 1.398 176.135 174.700 0.062 0.000 1.088 587 T CA 1.003 63.083 62.100 -0.034 0.000 1.127 587 T CB -0.471 68.342 68.868 -0.091 0.000 0.883 587 T HN 0.311 nan 8.240 nan 0.000 0.493 588 Y N 0.986 121.270 120.300 -0.027 0.000 2.130 588 Y HA -0.079 4.471 4.550 0.000 0.000 0.287 588 Y C 1.955 177.679 175.900 -0.294 0.000 1.124 588 Y CA 0.566 58.456 58.100 -0.349 0.000 1.118 588 Y CB -0.833 37.448 38.460 -0.297 0.000 0.994 588 Y HN 0.261 nan 8.280 nan 0.000 0.497 589 Y N -0.646 119.508 120.300 -0.243 0.000 2.224 589 Y HA -0.250 4.300 4.550 0.000 0.000 0.289 589 Y C 2.418 178.204 175.900 -0.190 0.000 1.146 589 Y CA 1.061 58.998 58.100 -0.271 0.000 1.182 589 Y CB -0.432 37.999 38.460 -0.048 0.000 0.983 589 Y HN 0.266 nan 8.280 nan 0.000 0.524 590 L N 1.354 122.607 121.223 0.049 0.000 2.046 590 L HA -0.199 4.141 4.340 0.000 0.000 0.208 590 L C 2.537 179.388 176.870 -0.031 0.000 1.077 590 L CA 1.631 56.480 54.840 0.014 0.000 0.747 590 L CB -0.487 41.573 42.059 0.002 0.000 0.896 590 L HN 0.165 nan 8.230 nan 0.000 0.432 591 R N 0.490 120.925 120.500 -0.109 0.000 2.189 591 R HA -0.133 4.207 4.340 0.000 0.000 0.223 591 R C 1.042 177.254 176.300 -0.145 0.000 1.092 591 R CA 1.384 57.411 56.100 -0.121 0.000 0.989 591 R CB -0.652 29.533 30.300 -0.193 0.000 0.876 591 R HN 0.487 nan 8.270 nan 0.000 0.457 592 R N 1.088 121.464 120.500 -0.206 0.000 2.767 592 R HA 0.244 4.585 4.340 0.000 0.000 0.377 592 R C -0.497 175.738 176.300 -0.108 0.000 1.151 592 R CA -0.273 55.714 56.100 -0.188 0.000 1.046 592 R CB 0.674 30.784 30.300 -0.317 0.000 1.404 592 R HN 0.157 nan 8.270 nan 0.000 0.580 593 S N -0.953 114.714 115.700 -0.055 0.000 2.718 593 S HA 0.185 4.655 4.470 0.000 0.000 0.300 593 S C 0.759 175.280 174.600 -0.133 0.000 1.117 593 S CA -0.936 57.227 58.200 -0.063 0.000 1.002 593 S CB 1.740 64.980 63.200 0.067 0.000 1.092 593 S HN 0.349 nan 8.310 nan 0.000 0.542 594 Q N -0.370 119.235 119.800 -0.326 0.000 2.368 594 Q HA -0.060 4.280 4.340 0.000 0.000 0.210 594 Q C 0.982 176.821 176.000 -0.268 0.000 0.982 594 Q CA 1.535 57.138 55.803 -0.334 0.000 0.884 594 Q CB -0.608 27.813 28.738 -0.529 0.000 0.933 594 Q HN 0.837 nan 8.270 nan 0.000 0.460 595 F N -0.460 119.449 119.950 -0.068 0.000 2.206 595 F HA -0.129 4.399 4.527 0.000 0.000 0.298 595 F C 1.792 177.576 175.800 -0.027 0.000 1.090 595 F CA 0.800 58.779 58.000 -0.036 0.000 1.323 595 F CB 0.056 38.980 39.000 -0.126 0.000 1.028 595 F HN 0.009 nan 8.300 nan 0.000 0.492 596 L N -2.239 119.062 121.223 0.130 0.000 2.467 596 L HA 0.152 4.492 4.340 0.000 0.000 0.213 596 L C 1.062 177.931 176.870 -0.002 0.000 1.053 596 L CA 0.141 55.016 54.840 0.058 0.000 0.847 596 L CB -0.074 42.018 42.059 0.055 0.000 1.075 596 L HN -0.177 nan 8.230 nan 0.000 0.479 597 S N 0.977 116.668 115.700 -0.016 0.000 2.955 597 S HA 0.201 4.672 4.470 0.000 0.000 0.294 597 S C 0.660 175.258 174.600 -0.004 0.000 1.198 597 S CA -0.531 57.658 58.200 -0.019 0.000 1.008 597 S CB 0.416 63.597 63.200 -0.031 0.000 1.279 597 S HN 0.166 nan 8.310 nan 0.000 0.508 598 V N 3.799 123.694 119.914 -0.032 0.000 3.331 598 V HA 0.342 4.463 4.120 0.000 0.000 0.332 598 V C 1.245 177.374 176.094 0.058 0.000 1.341 598 V CA -0.068 62.202 62.300 -0.050 0.000 1.218 598 V CB -1.336 30.236 31.823 -0.419 0.000 1.152 598 V HN 0.732 nan 8.190 nan 0.000 0.445 599 F N 2.839 122.774 119.950 -0.025 0.000 2.069 599 F HA -0.080 4.447 4.527 0.000 0.000 0.298 599 F C 1.692 177.517 175.800 0.042 0.000 1.113 599 F CA 2.281 60.284 58.000 0.004 0.000 1.214 599 F CB -0.136 38.852 39.000 -0.020 0.000 0.978 599 F HN 0.462 nan 8.300 nan 0.000 0.474 600 N N 1.070 119.724 118.700 -0.077 0.000 2.455 600 N HA 0.077 4.817 4.740 0.000 0.000 0.258 600 N C -1.558 173.929 175.510 -0.039 0.000 1.158 600 N CA -0.111 52.835 53.050 -0.174 0.000 0.893 600 N CB -0.628 37.859 38.487 -0.001 0.000 1.173 600 N HN 0.212 nan 8.380 nan 0.000 0.503 601 N N -0.672 118.041 118.700 0.022 0.000 2.240 601 N HA 0.250 4.991 4.740 0.000 0.000 0.302 601 N C -0.995 174.561 175.510 0.077 0.000 1.106 601 N CA -0.444 52.666 53.050 0.101 0.000 0.778 601 N CB 1.798 40.403 38.487 0.197 0.000 1.431 601 N HN 0.147 nan 8.380 nan 0.000 0.479 602 S N 0.246 115.930 115.700 -0.026 0.000 2.554 602 S HA 0.394 4.864 4.470 0.000 0.000 0.278 602 S C -1.897 172.517 174.600 -0.310 0.000 1.242 602 S CA -1.044 57.059 58.200 -0.162 0.000 1.051 602 S CB 2.172 65.303 63.200 -0.114 0.000 0.986 602 S HN 0.239 nan 8.310 nan 0.000 0.502 603 P HA -0.198 nan 4.420 nan 0.000 0.212 603 P C 0.812 178.020 177.300 -0.155 0.000 1.174 603 P CA 1.603 64.358 63.100 -0.574 0.000 0.934 603 P CB -0.142 31.341 31.700 -0.361 0.000 0.791 604 D N -1.007 119.327 120.400 -0.110 0.000 2.191 604 D HA -0.240 4.400 4.640 0.000 0.000 0.190 604 D C 1.922 178.170 176.300 -0.088 0.000 1.007 604 D CA 1.404 55.358 54.000 -0.077 0.000 0.865 604 D CB -0.669 40.068 40.800 -0.106 0.000 0.929 604 D HN 0.368 nan 8.370 nan 0.000 0.447 605 E N -0.747 119.378 120.200 -0.126 0.000 2.118 605 E HA -0.177 4.173 4.350 0.000 0.000 0.195 605 E C 1.613 178.077 176.600 -0.226 0.000 0.992 605 E CA 1.489 57.774 56.400 -0.191 0.000 0.804 605 E CB 0.110 29.741 29.700 -0.115 0.000 0.741 605 E HN 0.263 nan 8.360 nan 0.000 0.458 606 T N 0.207 114.766 114.554 0.008 0.000 2.809 606 T HA 0.025 4.375 4.350 0.000 0.000 0.260 606 T C 1.887 176.679 174.700 0.153 0.000 1.039 606 T CA 0.944 63.130 62.100 0.143 0.000 1.141 606 T CB -0.234 68.828 68.868 0.324 0.000 0.869 606 T HN 0.294 nan 8.240 nan 0.000 0.437 607 A N 1.317 124.225 122.820 0.145 0.000 1.986 607 A HA -0.121 4.199 4.320 0.000 0.000 0.220 607 A C 1.972 179.672 177.584 0.195 0.000 1.171 607 A CA 1.548 53.683 52.037 0.163 0.000 0.640 607 A CB -0.953 18.115 19.000 0.113 0.000 0.811 607 A HN 0.492 nan 8.150 nan 0.000 0.451 608 F N -0.676 119.229 119.950 -0.076 0.000 2.084 608 F HA -0.117 4.410 4.527 0.000 0.000 0.296 608 F C 2.122 177.965 175.800 0.071 0.000 1.111 608 F CA 1.395 59.331 58.000 -0.108 0.000 1.224 608 F CB -0.735 38.064 39.000 -0.336 0.000 0.991 608 F HN 0.343 nan 8.300 nan 0.000 0.471 609 Y N 0.256 120.489 120.300 -0.110 0.000 2.181 609 Y HA -0.186 4.364 4.550 0.000 0.000 0.288 609 Y C 2.694 178.816 175.900 0.371 0.000 1.146 609 Y CA 1.219 59.214 58.100 -0.176 0.000 1.164 609 Y CB -0.422 37.719 38.460 -0.531 0.000 0.982 609 Y HN -0.051 nan 8.280 nan 0.000 0.515 610 R N -0.681 120.137 120.500 0.531 0.000 2.091 610 R HA -0.229 4.111 4.340 0.000 0.000 0.238 610 R C 2.052 178.610 176.300 0.431 0.000 1.136 610 R CA 1.855 58.269 56.100 0.525 0.000 0.959 610 R CB -0.682 29.846 30.300 0.380 0.000 0.856 610 R HN 0.456 nan 8.270 nan 0.000 0.437 611 H N 0.909 120.137 119.070 0.264 0.000 2.319 611 H HA -0.098 4.458 4.556 0.000 0.000 0.297 611 H C 1.892 177.406 175.328 0.310 0.000 1.097 611 H CA 2.058 58.248 56.048 0.237 0.000 1.285 611 H CB -0.126 29.718 29.762 0.137 0.000 1.368 611 H HN 0.106 nan 8.280 nan 0.000 0.495 612 I N -0.674 120.054 120.570 0.265 0.000 2.179 612 I HA -0.237 3.933 4.170 0.000 0.000 0.242 612 I C 2.092 178.271 176.117 0.103 0.000 1.088 612 I CA 1.247 62.654 61.300 0.180 0.000 1.357 612 I CB -0.434 37.767 38.000 0.334 0.000 1.051 612 I HN 0.261 nan 8.210 nan 0.000 0.409 613 F N 2.351 122.356 119.950 0.092 0.000 2.095 613 F HA -0.260 4.267 4.527 0.000 0.000 0.298 613 F C 2.627 178.292 175.800 -0.223 0.000 1.104 613 F CA 1.997 59.926 58.000 -0.119 0.000 1.232 613 F CB -0.685 38.168 39.000 -0.245 0.000 0.987 613 F HN 0.098 nan 8.300 nan 0.000 0.475 614 T N -1.857 112.607 114.554 -0.150 0.000 3.496 614 T HA 0.028 4.378 4.350 0.000 0.000 0.253 614 T C 1.632 175.986 174.700 -0.577 0.000 1.134 614 T CA 0.447 62.371 62.100 -0.295 0.000 0.993 614 T CB -0.413 68.468 68.868 0.020 0.000 1.018 614 T HN 0.484 nan 8.240 nan 0.000 0.571 615 R N -0.479 119.609 120.500 -0.685 0.000 2.573 615 R HA 0.269 4.609 4.340 0.000 0.000 0.224 615 R C 0.150 176.039 176.300 -0.684 0.000 0.904 615 R CA -0.143 55.416 56.100 -0.902 0.000 0.995 615 R CB 0.572 30.291 30.300 -0.969 0.000 1.430 615 R HN 0.312 nan 8.270 nan 0.000 0.631 616 E N 1.874 121.727 120.200 -0.578 0.000 2.369 616 E HA 0.033 4.383 4.350 0.000 0.000 0.255 616 E C -0.932 175.358 176.600 -0.517 0.000 1.172 616 E CA -0.237 55.855 56.400 -0.513 0.000 0.932 616 E CB 0.728 30.100 29.700 -0.547 0.000 1.040 616 E HN 0.223 nan 8.360 nan 0.000 0.454 617 D N -0.015 120.131 120.400 -0.423 0.000 2.348 617 D HA 0.093 4.733 4.640 0.000 0.000 0.249 617 D C 0.518 176.596 176.300 -0.370 0.000 1.110 617 D CA -0.276 53.505 54.000 -0.365 0.000 0.967 617 D CB 0.473 41.108 40.800 -0.275 0.000 1.139 617 D HN 0.346 nan 8.370 nan 0.000 0.466 618 T N 0.561 114.925 114.554 -0.317 0.000 2.649 618 T HA -0.223 4.127 4.350 0.000 0.000 0.268 618 T C 1.717 176.256 174.700 -0.269 0.000 1.036 618 T CA 2.537 64.461 62.100 -0.293 0.000 1.157 618 T CB -0.604 68.121 68.868 -0.238 0.000 0.861 618 T HN 0.587 nan 8.240 nan 0.000 0.445 619 T N 2.488 116.903 114.554 -0.232 0.000 2.622 619 T HA -0.125 4.225 4.350 0.000 0.000 0.266 619 T C 1.999 176.551 174.700 -0.248 0.000 1.047 619 T CA 1.327 63.310 62.100 -0.195 0.000 1.159 619 T CB -0.401 68.376 68.868 -0.152 0.000 0.863 619 T HN 0.382 nan 8.240 nan 0.000 0.422 620 N N 0.932 119.422 118.700 -0.349 0.000 2.331 620 N HA 0.022 4.763 4.740 0.000 0.000 0.180 620 N C 2.085 177.235 175.510 -0.601 0.000 1.019 620 N CA 0.619 53.331 53.050 -0.564 0.000 0.881 620 N CB -0.315 37.667 38.487 -0.841 0.000 0.972 620 N HN 0.281 nan 8.380 nan 0.000 0.435 621 S N 1.292 116.724 115.700 -0.446 0.000 2.402 621 S HA 0.043 4.513 4.470 0.000 0.000 0.229 621 S C 2.126 176.653 174.600 -0.123 0.000 1.021 621 S CA 0.550 58.597 58.200 -0.255 0.000 0.974 621 S CB -0.118 62.855 63.200 -0.378 0.000 0.800 621 S HN 0.251 nan 8.310 nan 0.000 0.484 622 L N 1.034 122.126 121.223 -0.218 0.000 2.005 622 L HA -0.024 4.316 4.340 0.000 0.000 0.207 622 L C 2.189 178.997 176.870 -0.103 0.000 1.072 622 L CA 1.147 55.867 54.840 -0.200 0.000 0.744 622 L CB -0.616 41.329 42.059 -0.190 0.000 0.895 622 L HN 0.260 nan 8.230 nan 0.000 0.433 623 I N -0.527 119.961 120.570 -0.135 0.000 2.399 623 I HA -0.338 3.832 4.170 0.000 0.000 0.254 623 I C 2.497 178.544 176.117 -0.116 0.000 1.146 623 I CA 1.457 62.692 61.300 -0.109 0.000 1.412 623 I CB -0.143 37.793 38.000 -0.107 0.000 1.076 623 I HN 0.360 nan 8.210 nan 0.000 0.432 624 M N -0.487 119.029 119.600 -0.140 0.000 2.334 624 M HA -0.047 4.433 4.480 0.000 0.000 0.266 624 M C 2.167 178.508 176.300 0.069 0.000 1.082 624 M CA 1.419 56.697 55.300 -0.038 0.000 1.141 624 M CB 0.096 32.710 32.600 0.023 0.000 1.380 624 M HN 0.174 nan 8.290 nan 0.000 0.440 625 I N -0.932 119.635 120.570 -0.004 0.000 2.400 625 I HA -0.125 4.045 4.170 0.000 0.000 0.248 625 I C 1.276 177.403 176.117 0.016 0.000 1.109 625 I CA 0.752 62.065 61.300 0.021 0.000 1.425 625 I CB 0.119 38.109 38.000 -0.015 0.000 1.094 625 I HN 0.248 nan 8.210 nan 0.000 0.425 626 Q N 1.896 121.682 119.800 -0.024 0.000 2.490 626 Q HA 0.353 4.693 4.340 0.000 0.000 0.255 626 Q C -2.548 173.324 176.000 -0.213 0.000 0.997 626 Q CA -1.994 53.660 55.803 -0.249 0.000 0.709 626 Q CB 1.798 30.540 28.738 0.005 0.000 1.255 626 Q HN -0.064 nan 8.270 nan 0.000 0.486 627 P HA -0.010 nan 4.420 nan 0.000 0.268 627 P C -0.867 176.365 177.300 -0.114 0.000 1.208 627 P CA 0.156 63.159 63.100 -0.161 0.000 0.777 627 P CB 0.716 32.322 31.700 -0.156 0.000 0.875 628 T N 3.054 117.578 114.554 -0.050 0.000 2.771 628 T HA 0.404 4.754 4.350 0.000 0.000 0.291 628 T C -0.335 174.376 174.700 0.019 0.000 0.954 628 T CA 0.020 62.115 62.100 -0.008 0.000 1.045 628 T CB 0.023 68.900 68.868 0.015 0.000 0.917 628 T HN 0.126 nan 8.240 nan 0.000 0.484 629 L N 4.133 125.374 121.223 0.029 0.000 2.372 629 L HA 0.499 4.839 4.340 0.000 0.000 0.274 629 L C -0.457 176.462 176.870 0.082 0.000 0.988 629 L CA -0.090 54.784 54.840 0.058 0.000 0.833 629 L CB 1.722 43.802 42.059 0.036 0.000 1.236 629 L HN 0.603 nan 8.230 nan 0.000 0.410 630 T N 2.634 117.277 114.554 0.150 0.000 2.833 630 T HA 0.291 4.641 4.350 0.000 0.000 0.297 630 T C -0.295 174.574 174.700 0.282 0.000 1.015 630 T CA -0.331 61.865 62.100 0.160 0.000 0.963 630 T CB 1.169 70.143 68.868 0.176 0.000 0.955 630 T HN 0.523 nan 8.240 nan 0.000 0.449 631 S N 3.184 118.971 115.700 0.145 0.000 2.499 631 S HA 0.568 5.038 4.470 0.000 0.000 0.275 631 S C -0.712 173.983 174.600 0.158 0.000 1.257 631 S CA -0.515 57.809 58.200 0.207 0.000 1.050 631 S CB -0.227 63.039 63.200 0.110 0.000 0.937 631 S HN 0.391 nan 8.310 nan 0.000 0.490 632 F N 3.157 123.137 119.950 0.049 0.000 2.443 632 F HA 0.627 5.154 4.527 0.000 0.000 0.335 632 F C 0.838 176.681 175.800 0.072 0.000 1.104 632 F CA -0.478 57.553 58.000 0.052 0.000 1.013 632 F CB 1.926 40.950 39.000 0.040 0.000 1.136 632 F HN 0.661 nan 8.300 nan 0.000 0.470 633 S N 1.837 117.662 115.700 0.209 0.000 2.688 633 S HA 0.586 5.057 4.470 0.000 0.000 0.275 633 S C -0.938 173.757 174.600 0.157 0.000 1.175 633 S CA -1.054 57.256 58.200 0.183 0.000 0.818 633 S CB 1.862 65.147 63.200 0.141 0.000 1.157 633 S HN 0.641 nan 8.310 nan 0.000 0.482 634 M N 2.168 121.866 119.600 0.164 0.000 2.808 634 M HA 0.342 4.822 4.480 0.000 0.000 0.225 634 M C -0.054 176.314 176.300 0.114 0.000 1.103 634 M CA 0.121 55.506 55.300 0.142 0.000 0.982 634 M CB -0.741 31.964 32.600 0.174 0.000 1.314 634 M HN 1.051 nan 8.290 nan 0.000 0.505 635 E N -0.080 120.172 120.200 0.087 0.000 1.213 635 E HA 0.035 4.385 4.350 0.000 0.000 0.201 635 E C -1.238 175.392 176.600 0.050 0.000 0.861 635 E CA -0.275 56.167 56.400 0.069 0.000 0.901 635 E CB -0.004 29.743 29.700 0.078 0.000 4.650 635 E HN 0.396 nan 8.360 nan 0.000 0.603 636 D N 0.902 121.329 120.400 0.046 0.000 2.552 636 D HA 0.372 5.012 4.640 0.000 0.000 0.239 636 D C -1.188 175.111 176.300 -0.001 0.000 1.139 636 D CA -0.534 53.478 54.000 0.020 0.000 0.914 636 D CB 1.840 42.650 40.800 0.017 0.000 1.461 636 D HN -0.096 nan 8.370 nan 0.000 0.462 637 D N 0.586 120.969 120.400 -0.029 0.000 2.210 637 D HA 0.327 4.967 4.640 0.000 0.000 0.249 637 D C -2.245 173.967 176.300 -0.145 0.000 1.062 637 D CA -1.245 52.716 54.000 -0.066 0.000 0.891 637 D CB 0.449 41.218 40.800 -0.051 0.000 1.186 637 D HN -0.141 nan 8.370 nan 0.000 0.432 638 P HA -0.090 nan 4.420 nan 0.000 0.261 638 P C -0.722 176.389 177.300 -0.314 0.000 1.158 638 P CA 0.564 63.332 63.100 -0.553 0.000 0.758 638 P CB 0.324 31.471 31.700 -0.923 0.000 0.763 639 Q N 4.260 123.915 119.800 -0.241 0.000 2.315 639 Q HA 0.393 4.733 4.340 0.000 0.000 0.273 639 Q C -2.845 173.114 176.000 -0.069 0.000 1.053 639 Q CA -2.454 53.278 55.803 -0.118 0.000 0.817 639 Q CB 2.010 30.708 28.738 -0.067 0.000 1.326 639 Q HN 0.161 nan 8.270 nan 0.000 0.423 640 P HA -0.007 nan 4.420 nan 0.000 0.269 640 P C -1.298 176.007 177.300 0.007 0.000 1.211 640 P CA 0.021 63.119 63.100 -0.004 0.000 0.781 640 P CB 0.509 32.210 31.700 0.002 0.000 0.877 641 V N -1.205 118.722 119.914 0.022 0.000 2.924 641 V HA 0.298 4.418 4.120 0.000 0.000 0.300 641 V C -0.798 175.317 176.094 0.034 0.000 1.227 641 V CA -1.320 60.996 62.300 0.027 0.000 0.954 641 V CB 1.365 33.207 31.823 0.032 0.000 1.055 641 V HN 0.157 nan 8.190 nan 0.000 0.429 642 L N 3.489 124.735 121.223 0.039 0.000 2.628 642 L HA 0.002 4.343 4.340 0.000 0.000 0.292 642 L C 0.685 177.599 176.870 0.072 0.000 1.250 642 L CA 0.402 55.278 54.840 0.060 0.000 0.892 642 L CB -0.449 41.645 42.059 0.058 0.000 1.138 642 L HN 0.881 nan 8.230 nan 0.000 0.502 643 L N 4.315 125.604 121.223 0.110 0.000 2.416 643 L HA 0.190 4.530 4.340 0.000 0.000 0.243 643 L C 0.034 177.007 176.870 0.171 0.000 1.373 643 L CA 0.636 55.538 54.840 0.103 0.000 1.227 643 L CB -0.753 41.322 42.059 0.026 0.000 1.428 643 L HN 0.532 nan 8.230 nan 0.000 0.425 644 D N -1.002 119.459 120.400 0.102 0.000 2.732 644 D HA 0.133 4.773 4.640 0.000 0.000 0.229 644 D C 1.016 177.338 176.300 0.038 0.000 1.152 644 D CA 0.349 54.400 54.000 0.086 0.000 0.854 644 D CB 2.308 43.151 40.800 0.071 0.000 1.590 644 D HN 0.274 nan 8.370 nan 0.000 0.468 645 S N 2.310 118.026 115.700 0.027 0.000 2.428 645 S HA -0.212 4.258 4.470 0.000 0.000 0.240 645 S C 1.903 176.496 174.600 -0.011 0.000 1.036 645 S CA 0.915 59.113 58.200 -0.004 0.000 1.009 645 S CB -0.502 62.697 63.200 -0.001 0.000 0.803 645 S HN 0.626 nan 8.310 nan 0.000 0.486 646 I N 1.579 122.151 120.570 0.003 0.000 3.176 646 I HA -0.032 4.139 4.170 0.000 0.000 0.275 646 I C 1.852 177.971 176.117 0.005 0.000 1.298 646 I CA 0.572 61.874 61.300 0.004 0.000 1.445 646 I CB -0.439 37.567 38.000 0.009 0.000 1.075 646 I HN 0.305 nan 8.210 nan 0.000 0.482 647 S N 0.097 115.797 115.700 0.000 0.000 2.478 647 S HA 0.066 4.536 4.470 0.000 0.000 0.222 647 S C 0.966 175.560 174.600 -0.011 0.000 1.008 647 S CA 0.012 58.214 58.200 0.004 0.000 0.928 647 S CB 0.093 63.298 63.200 0.009 0.000 0.781 647 S HN 0.124 nan 8.310 nan 0.000 0.518 648 V N 3.543 123.428 119.914 -0.049 0.000 2.409 648 V HA 0.136 4.256 4.120 0.000 0.000 0.270 648 V C 0.087 176.180 176.094 -0.002 0.000 1.019 648 V CA 0.446 62.693 62.300 -0.088 0.000 1.066 648 V CB -0.322 31.409 31.823 -0.153 0.000 1.021 648 V HN 0.246 nan 8.190 nan 0.000 0.476 649 K N 7.330 127.762 120.400 0.053 0.000 2.397 649 K HA 0.389 4.709 4.320 0.000 0.000 0.253 649 K C -1.818 174.853 176.600 0.118 0.000 0.932 649 K CA -1.811 54.520 56.287 0.074 0.000 0.795 649 K CB 2.635 35.177 32.500 0.070 0.000 1.159 649 K HN 0.203 nan 8.250 nan 0.000 0.424 650 P HA -0.225 nan 4.420 nan 0.000 0.221 650 P C -0.204 177.108 177.300 0.019 0.000 1.141 650 P CA 1.480 64.607 63.100 0.044 0.000 0.794 650 P CB -0.071 31.614 31.700 -0.025 0.000 0.764 651 N N -1.158 117.580 118.700 0.062 0.000 2.416 651 N HA 0.122 4.862 4.740 0.000 0.000 0.267 651 N C -0.645 174.971 175.510 0.177 0.000 1.294 651 N CA -0.520 52.597 53.050 0.112 0.000 0.891 651 N CB 0.331 38.892 38.487 0.124 0.000 1.238 651 N HN -0.090 nan 8.380 nan 0.000 0.508 652 T N -1.374 113.285 114.554 0.176 0.000 2.949 652 T HA 0.411 4.762 4.350 0.000 0.000 0.300 652 T C -0.291 174.536 174.700 0.212 0.000 0.988 652 T CA -0.691 61.525 62.100 0.193 0.000 0.993 652 T CB 0.983 69.947 68.868 0.160 0.000 0.984 652 T HN 0.102 nan 8.240 nan 0.000 0.442 653 I N 4.377 125.059 120.570 0.186 0.000 2.436 653 I HA 0.218 4.388 4.170 0.000 0.000 0.289 653 I C 0.113 176.304 176.117 0.122 0.000 1.083 653 I CA -0.514 60.819 61.300 0.055 0.000 1.372 653 I CB 0.450 38.390 38.000 -0.099 0.000 1.408 653 I HN 0.472 nan 8.210 nan 0.000 0.516 654 L N 7.353 128.661 121.223 0.142 0.000 2.264 654 L HA 0.354 4.695 4.340 0.000 0.000 0.289 654 L C -0.360 176.557 176.870 0.079 0.000 1.044 654 L CA -0.723 54.206 54.840 0.149 0.000 0.807 654 L CB 1.331 43.453 42.059 0.105 0.000 1.192 654 L HN 0.465 nan 8.230 nan 0.000 0.425 655 L N 5.377 126.668 121.223 0.113 0.000 2.270 655 L HA 0.403 4.743 4.340 0.000 0.000 0.286 655 L C -0.607 176.335 176.870 0.120 0.000 1.059 655 L CA -0.185 54.701 54.840 0.077 0.000 0.839 655 L CB 1.060 43.175 42.059 0.094 0.000 1.221 655 L HN 0.443 nan 8.230 nan 0.000 0.431 656 L N 4.819 126.110 121.223 0.113 0.000 2.307 656 L HA 0.527 4.867 4.340 0.000 0.000 0.282 656 L C -0.864 176.070 176.870 0.107 0.000 1.051 656 L CA 0.167 55.075 54.840 0.113 0.000 0.804 656 L CB 1.432 43.582 42.059 0.152 0.000 1.197 656 L HN 0.691 nan 8.230 nan 0.000 0.431 657 D N 1.636 122.060 120.400 0.039 0.000 2.378 657 D HA 0.187 4.827 4.640 0.000 0.000 0.265 657 D C 0.600 176.837 176.300 -0.104 0.000 1.229 657 D CA 0.104 54.097 54.000 -0.011 0.000 0.914 657 D CB 0.902 41.714 40.800 0.020 0.000 1.140 657 D HN 0.644 nan 8.370 nan 0.000 0.516 658 T N 0.622 115.008 114.554 -0.279 0.000 3.194 658 T HA 0.061 4.411 4.350 0.000 0.000 0.251 658 T C 1.344 175.876 174.700 -0.279 0.000 1.132 658 T CA 0.152 62.039 62.100 -0.356 0.000 1.028 658 T CB -0.481 67.940 68.868 -0.745 0.000 0.976 658 T HN 0.421 nan 8.240 nan 0.000 0.535 659 F N 0.189 119.890 119.950 -0.416 0.000 2.547 659 F HA -0.345 4.182 4.527 0.000 0.000 0.660 659 F C 0.624 176.146 175.800 -0.463 0.000 0.492 659 F CA 1.345 59.073 58.000 -0.453 0.000 0.849 659 F CB -1.644 36.991 39.000 -0.608 0.000 1.694 659 F HN 0.270 nan 8.300 nan 0.000 0.262 660 F N 0.487 120.206 119.950 -0.386 0.000 2.325 660 F HA 0.126 4.653 4.527 0.000 0.000 0.299 660 F C 0.947 176.624 175.800 -0.205 0.000 1.090 660 F CA 1.331 59.130 58.000 -0.335 0.000 1.392 660 F CB -0.145 38.699 39.000 -0.260 0.000 1.053 660 F HN 0.058 nan 8.300 nan 0.000 0.521 661 F N -2.140 117.806 119.950 -0.008 0.000 2.668 661 F HA 0.617 5.144 4.527 0.000 0.000 0.309 661 F C -1.435 174.338 175.800 -0.044 0.000 1.117 661 F CA -2.634 55.330 58.000 -0.060 0.000 0.951 661 F CB 0.741 39.654 39.000 -0.146 0.000 1.323 661 F HN -0.409 nan 8.300 nan 0.000 0.451 662 I N 3.924 124.706 120.570 0.354 0.000 2.371 662 I HA 0.377 4.547 4.170 0.000 0.000 0.282 662 I C -0.885 175.381 176.117 0.249 0.000 1.031 662 I CA -0.503 60.973 61.300 0.293 0.000 1.180 662 I CB 1.184 39.360 38.000 0.293 0.000 1.336 662 I HN 0.764 nan 8.210 nan 0.000 0.467 663 L N 7.322 128.682 121.223 0.228 0.000 2.272 663 L HA 0.581 4.922 4.340 0.000 0.000 0.289 663 L C -0.594 176.306 176.870 0.051 0.000 1.032 663 L CA -0.325 54.550 54.840 0.059 0.000 0.810 663 L CB 1.126 43.243 42.059 0.095 0.000 1.205 663 L HN 0.383 nan 8.230 nan 0.000 0.422 664 I N 4.809 125.354 120.570 -0.042 0.000 2.428 664 I HA 0.254 4.425 4.170 0.000 0.000 0.296 664 I C -1.175 174.899 176.117 -0.072 0.000 0.985 664 I CA -0.602 60.655 61.300 -0.073 0.000 1.260 664 I CB 1.599 39.540 38.000 -0.099 0.000 1.389 664 I HN 0.586 nan 8.210 nan 0.000 0.484 665 Y N 5.483 125.631 120.300 -0.253 0.000 2.391 665 Y HA 0.417 4.968 4.550 0.000 0.000 0.341 665 Y C -0.751 174.949 175.900 -0.333 0.000 0.965 665 Y CA -0.635 57.353 58.100 -0.186 0.000 1.067 665 Y CB 1.076 39.498 38.460 -0.062 0.000 1.199 665 Y HN 0.450 nan 8.280 nan 0.000 0.450 666 H N 4.261 122.984 119.070 -0.578 0.000 2.511 666 H HA 0.362 4.919 4.556 0.000 0.000 0.328 666 H C 0.217 175.238 175.328 -0.512 0.000 1.044 666 H CA -0.477 55.367 56.048 -0.341 0.000 1.212 666 H CB 1.508 31.140 29.762 -0.218 0.000 1.428 666 H HN 0.985 nan 8.280 nan 0.000 0.483 667 G N 1.694 110.475 108.800 -0.031 0.000 2.544 667 G HA2 -0.053 3.907 3.960 0.000 0.000 0.242 667 G HA3 -0.053 3.907 3.960 0.000 0.000 0.242 667 G C 1.018 175.891 174.900 -0.045 0.000 1.247 667 G CA -0.322 44.816 45.100 0.063 0.000 0.840 667 G HN 0.709 nan 8.290 nan 0.000 0.578 668 E N 0.133 120.313 120.200 -0.033 0.000 2.136 668 E HA -0.349 4.001 4.350 0.000 0.000 0.208 668 E C 2.287 178.765 176.600 -0.204 0.000 1.035 668 E CA 2.221 58.562 56.400 -0.098 0.000 0.838 668 E CB 0.072 29.726 29.700 -0.078 0.000 0.748 668 E HN 0.656 nan 8.360 nan 0.000 0.459 669 Q N 0.520 120.149 119.800 -0.286 0.000 2.016 669 Q HA -0.081 4.259 4.340 0.000 0.000 0.200 669 Q C 2.073 177.741 176.000 -0.555 0.000 0.978 669 Q CA 1.254 56.680 55.803 -0.628 0.000 0.833 669 Q CB -0.114 28.166 28.738 -0.764 0.000 0.895 669 Q HN 0.301 nan 8.270 nan 0.000 0.427 670 I N 0.338 120.833 120.570 -0.126 0.000 2.493 670 I HA -0.228 3.943 4.170 0.000 0.000 0.254 670 I C 2.099 178.327 176.117 0.185 0.000 1.160 670 I CA 0.735 62.190 61.300 0.257 0.000 1.445 670 I CB -0.430 37.794 38.000 0.374 0.000 1.086 670 I HN 0.306 nan 8.210 nan 0.000 0.433 671 A N 0.481 123.304 122.820 0.005 0.000 1.855 671 A HA -0.229 4.091 4.320 0.000 0.000 0.215 671 A C 2.260 179.820 177.584 -0.041 0.000 1.191 671 A CA 1.374 53.388 52.037 -0.039 0.000 0.613 671 A CB -0.551 18.393 19.000 -0.094 0.000 0.829 671 A HN 0.390 nan 8.150 nan 0.000 0.442 672 Q N -1.368 118.355 119.800 -0.127 0.000 2.020 672 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 672 Q C 1.950 177.922 176.000 -0.046 0.000 0.982 672 Q CA 1.577 57.298 55.803 -0.137 0.000 0.838 672 Q CB -0.258 28.313 28.738 -0.279 0.000 0.899 672 Q HN 0.862 nan 8.270 nan 0.000 0.423 673 W N 0.852 121.993 121.300 -0.265 0.000 2.387 673 W HA -0.089 4.572 4.660 0.000 0.000 0.272 673 W C 2.109 178.533 176.519 -0.158 0.000 1.224 673 W CA 0.723 57.745 57.345 -0.537 0.000 1.210 673 W CB -0.441 28.322 29.460 -1.161 0.000 1.125 673 W HN 0.248 nan 8.180 nan 0.000 0.572 674 R N 0.857 121.534 120.500 0.296 0.000 2.080 674 R HA -0.081 4.259 4.340 0.000 0.000 0.222 674 R C 2.121 178.525 176.300 0.173 0.000 1.107 674 R CA 1.183 57.485 56.100 0.336 0.000 0.980 674 R CB -0.072 30.335 30.300 0.179 0.000 0.879 674 R HN 0.009 nan 8.270 nan 0.000 0.439 675 K N 0.228 120.687 120.400 0.099 0.000 2.057 675 K HA -0.060 4.260 4.320 0.000 0.000 0.207 675 K C 2.129 178.785 176.600 0.093 0.000 1.049 675 K CA 1.396 57.721 56.287 0.063 0.000 0.931 675 K CB -0.177 32.340 32.500 0.029 0.000 0.714 675 K HN 0.155 nan 8.250 nan 0.000 0.440 676 A N 0.735 123.639 122.820 0.141 0.000 1.883 676 A HA -0.057 4.263 4.320 0.000 0.000 0.217 676 A C 1.756 179.422 177.584 0.136 0.000 1.186 676 A CA 1.938 54.075 52.037 0.167 0.000 0.624 676 A CB -0.822 18.384 19.000 0.343 0.000 0.822 676 A HN 0.499 nan 8.150 nan 0.000 0.444 677 G N -3.727 105.190 108.800 0.195 0.000 2.135 677 G HA2 -0.216 3.744 3.960 0.000 0.000 0.183 677 G HA3 -0.216 3.744 3.960 0.000 0.000 0.183 677 G C 0.339 175.327 174.900 0.147 0.000 1.004 677 G CA 0.398 45.598 45.100 0.166 0.000 0.677 677 G HN 0.362 nan 8.290 nan 0.000 0.512 678 Y N 0.837 121.059 120.300 -0.131 0.000 2.491 678 Y HA -0.230 4.320 4.550 0.000 0.000 0.280 678 Y C 2.806 178.664 175.900 -0.070 0.000 1.177 678 Y CA 2.357 60.224 58.100 -0.389 0.000 1.366 678 Y CB -0.166 37.625 38.460 -1.114 0.000 0.966 678 Y HN 0.621 nan 8.280 nan 0.000 0.573 679 Q N -0.207 119.809 119.800 0.360 0.000 2.046 679 Q HA -0.159 4.181 4.340 0.000 0.000 0.200 679 Q C 1.486 177.612 176.000 0.211 0.000 0.975 679 Q CA 1.651 57.679 55.803 0.375 0.000 0.836 679 Q CB -0.309 28.603 28.738 0.290 0.000 0.896 679 Q HN 0.409 nan 8.270 nan 0.000 0.428 680 D N 1.223 121.707 120.400 0.139 0.000 2.407 680 D HA -0.061 4.580 4.640 0.000 0.000 0.234 680 D C -0.462 175.884 176.300 0.077 0.000 1.029 680 D CA 0.723 54.776 54.000 0.088 0.000 0.937 680 D CB -0.084 40.750 40.800 0.056 0.000 0.882 680 D HN 0.301 nan 8.370 nan 0.000 0.531 681 D N -0.023 120.449 120.400 0.120 0.000 2.433 681 D HA 0.321 4.961 4.640 0.000 0.000 0.236 681 D C -2.301 174.048 176.300 0.081 0.000 1.026 681 D CA -1.693 52.363 54.000 0.094 0.000 0.884 681 D CB 2.068 42.943 40.800 0.126 0.000 1.384 681 D HN -0.182 nan 8.370 nan 0.000 0.477 682 P HA 0.010 nan 4.420 nan 0.000 0.274 682 P C 0.471 177.675 177.300 -0.160 0.000 1.264 682 P CA 0.327 63.399 63.100 -0.047 0.000 0.795 682 P CB 0.315 31.977 31.700 -0.063 0.000 1.064 683 Q N -2.145 117.559 119.800 -0.161 0.000 2.243 683 Q HA -0.313 4.028 4.340 0.000 0.000 0.208 683 Q C -0.588 175.252 176.000 -0.266 0.000 0.722 683 Q CA 1.886 57.526 55.803 -0.271 0.000 1.420 683 Q CB -2.489 25.978 28.738 -0.452 0.000 1.787 683 Q HN 0.663 nan 8.270 nan 0.000 0.653 684 Y N -2.189 118.114 120.300 0.005 0.000 2.672 684 Y HA 0.575 5.125 4.550 0.000 0.000 0.252 684 Y C 2.047 178.015 175.900 0.113 0.000 1.132 684 Y CA -0.308 57.813 58.100 0.036 0.000 1.228 684 Y CB 0.770 39.234 38.460 0.007 0.000 1.310 684 Y HN 0.326 nan 8.280 nan 0.000 0.549 685 A N 0.277 123.218 122.820 0.202 0.000 1.969 685 A HA -0.191 4.129 4.320 0.000 0.000 0.218 685 A C 1.457 179.135 177.584 0.156 0.000 1.169 685 A CA 2.111 54.239 52.037 0.152 0.000 0.635 685 A CB -0.398 18.654 19.000 0.087 0.000 0.810 685 A HN 0.338 nan 8.150 nan 0.000 0.445 686 D N -1.031 119.466 120.400 0.162 0.000 2.133 686 D HA -0.188 4.453 4.640 0.000 0.000 0.195 686 D C 1.488 177.901 176.300 0.188 0.000 0.997 686 D CA 1.529 55.619 54.000 0.150 0.000 0.840 686 D CB -0.342 40.545 40.800 0.145 0.000 0.947 686 D HN 0.464 nan 8.370 nan 0.000 0.452 687 F N 1.453 121.452 119.950 0.080 0.000 2.126 687 F HA -0.148 4.379 4.527 0.000 0.000 0.299 687 F C 2.085 177.932 175.800 0.079 0.000 1.096 687 F CA 1.400 59.438 58.000 0.063 0.000 1.255 687 F CB -0.149 38.856 39.000 0.008 0.000 0.997 687 F HN -0.203 nan 8.300 nan 0.000 0.479 688 K N -0.105 120.340 120.400 0.075 0.000 2.209 688 K HA -0.130 4.190 4.320 0.000 0.000 0.204 688 K C 2.063 178.632 176.600 -0.053 0.000 1.048 688 K CA 1.063 57.335 56.287 -0.025 0.000 0.940 688 K CB -0.260 32.283 32.500 0.071 0.000 0.729 688 K HN 0.350 nan 8.250 nan 0.000 0.451 689 A N 0.874 123.692 122.820 -0.002 0.000 1.861 689 A HA -0.068 4.252 4.320 0.000 0.000 0.212 689 A C 1.927 179.513 177.584 0.003 0.000 1.199 689 A CA 0.774 52.821 52.037 0.015 0.000 0.613 689 A CB -0.604 18.427 19.000 0.051 0.000 0.846 689 A HN 0.335 nan 8.150 nan 0.000 0.446 690 L N -0.069 121.156 121.223 0.004 0.000 2.189 690 L HA -0.143 4.197 4.340 0.000 0.000 0.214 690 L C 2.078 178.919 176.870 -0.049 0.000 1.097 690 L CA 1.569 56.428 54.840 0.032 0.000 0.764 690 L CB -0.370 41.732 42.059 0.072 0.000 0.900 690 L HN 0.408 nan 8.230 nan 0.000 0.436 691 L N -1.257 119.855 121.223 -0.185 0.000 2.179 691 L HA -0.071 4.269 4.340 0.000 0.000 0.208 691 L C 2.413 179.240 176.870 -0.071 0.000 1.096 691 L CA 0.650 55.388 54.840 -0.169 0.000 0.779 691 L CB -0.419 41.457 42.059 -0.305 0.000 0.922 691 L HN 0.270 nan 8.230 nan 0.000 0.443 692 E N -0.091 120.078 120.200 -0.052 0.000 2.170 692 E HA -0.130 4.220 4.350 0.000 0.000 0.191 692 E C 1.826 178.424 176.600 -0.003 0.000 0.981 692 E CA 0.373 56.761 56.400 -0.021 0.000 0.830 692 E CB 0.038 29.733 29.700 -0.007 0.000 0.775 692 E HN 0.450 nan 8.360 nan 0.000 0.470 693 E N 0.777 121.002 120.200 0.042 0.000 2.055 693 E HA -0.210 4.140 4.350 0.000 0.000 0.209 693 E C -0.639 175.994 176.600 0.055 0.000 1.036 693 E CA 2.183 58.671 56.400 0.147 0.000 0.849 693 E CB -0.937 28.984 29.700 0.369 0.000 0.767 693 E HN 0.220 nan 8.360 nan 0.000 0.461 694 P HA -0.177 nan 4.420 nan 0.000 0.215 694 P C 0.758 177.934 177.300 -0.207 0.000 1.157 694 P CA 1.571 64.292 63.100 -0.631 0.000 0.863 694 P CB -0.093 31.036 31.700 -0.952 0.000 0.787 695 K N -0.588 119.740 120.400 -0.119 0.000 2.442 695 K HA -0.045 4.275 4.320 0.000 0.000 0.199 695 K C 2.054 178.607 176.600 -0.079 0.000 1.044 695 K CA 0.737 56.983 56.287 -0.067 0.000 0.941 695 K CB -0.337 32.147 32.500 -0.027 0.000 0.759 695 K HN 0.277 nan 8.250 nan 0.000 0.472 696 L N -0.501 120.698 121.223 -0.039 0.000 2.357 696 L HA -0.003 4.338 4.340 0.000 0.000 0.211 696 L C 1.888 178.761 176.870 0.005 0.000 1.075 696 L CA 0.514 55.346 54.840 -0.014 0.000 0.830 696 L CB 0.006 42.078 42.059 0.021 0.000 0.996 696 L HN 0.138 nan 8.230 nan 0.000 0.467 697 E N 0.563 120.787 120.200 0.041 0.000 2.112 697 E HA -0.098 4.253 4.350 0.000 0.000 0.190 697 E C 2.253 178.868 176.600 0.026 0.000 0.979 697 E CA 0.946 57.390 56.400 0.074 0.000 0.814 697 E CB 0.064 29.880 29.700 0.194 0.000 0.762 697 E HN 0.418 nan 8.360 nan 0.000 0.460 698 A N 1.413 124.226 122.820 -0.011 0.000 1.898 698 A HA -0.065 4.255 4.320 0.000 0.000 0.216 698 A C 2.335 179.860 177.584 -0.099 0.000 1.181 698 A CA 1.474 53.490 52.037 -0.035 0.000 0.620 698 A CB -0.506 18.476 19.000 -0.030 0.000 0.819 698 A HN 0.272 nan 8.150 nan 0.000 0.442 699 A N -0.821 121.921 122.820 -0.131 0.000 2.178 699 A HA -0.036 4.284 4.320 0.000 0.000 0.218 699 A C 1.823 179.363 177.584 -0.074 0.000 1.157 699 A CA 1.924 53.880 52.037 -0.136 0.000 0.689 699 A CB -0.298 18.625 19.000 -0.128 0.000 0.787 699 A HN 0.508 nan 8.150 nan 0.000 0.465 700 E N -0.394 119.781 120.200 -0.043 0.000 2.307 700 E HA 0.126 4.476 4.350 0.000 0.000 0.195 700 E C 1.677 178.264 176.600 -0.022 0.000 0.975 700 E CA 0.396 56.783 56.400 -0.021 0.000 0.878 700 E CB -0.224 29.476 29.700 0.001 0.000 0.845 700 E HN 0.584 nan 8.360 nan 0.000 0.488 701 L N 0.001 121.209 121.223 -0.025 0.000 2.095 701 L HA -0.015 4.326 4.340 0.000 0.000 0.204 701 L C 2.290 179.129 176.870 -0.051 0.000 1.080 701 L CA 0.695 55.520 54.840 -0.026 0.000 0.759 701 L CB -0.475 41.576 42.059 -0.013 0.000 0.914 701 L HN 0.133 nan 8.230 nan 0.000 0.439 702 L N -0.560 120.624 121.223 -0.065 0.000 2.079 702 L HA -0.192 4.149 4.340 0.000 0.000 0.210 702 L C 2.614 179.451 176.870 -0.055 0.000 1.081 702 L CA 0.764 55.559 54.840 -0.074 0.000 0.752 702 L CB -0.885 41.120 42.059 -0.091 0.000 0.896 702 L HN 0.091 nan 8.230 nan 0.000 0.433 703 V N -0.475 119.413 119.914 -0.043 0.000 2.222 703 V HA -0.332 3.788 4.120 0.000 0.000 0.252 703 V C 0.723 176.809 176.094 -0.013 0.000 1.060 703 V CA 1.970 64.257 62.300 -0.022 0.000 1.027 703 V CB -0.466 31.347 31.823 -0.016 0.000 0.644 703 V HN 0.479 nan 8.190 nan 0.000 0.448 704 D N 0.421 120.804 120.400 -0.029 0.000 2.863 704 D HA 0.350 4.990 4.640 0.000 0.000 0.323 704 D C 0.083 176.306 176.300 -0.129 0.000 1.286 704 D CA -0.021 53.951 54.000 -0.047 0.000 0.921 704 D CB 0.539 41.323 40.800 -0.026 0.000 1.024 704 D HN 0.375 nan 8.370 nan 0.000 0.505 705 R N 1.050 121.489 120.500 -0.101 0.000 2.574 705 R HA 0.411 4.751 4.340 0.000 0.000 0.288 705 R C -1.863 174.403 176.300 -0.058 0.000 1.004 705 R CA -0.666 55.356 56.100 -0.130 0.000 0.895 705 R CB 1.516 31.721 30.300 -0.158 0.000 1.191 705 R HN -0.072 nan 8.270 nan 0.000 0.444 706 F N 6.646 126.478 119.950 -0.196 0.000 2.467 706 F HA 0.583 5.110 4.527 0.000 0.000 0.336 706 F C -2.007 173.771 175.800 -0.035 0.000 1.123 706 F CA -2.037 55.913 58.000 -0.083 0.000 0.964 706 F CB 1.490 40.460 39.000 -0.050 0.000 1.136 706 F HN 0.496 nan 8.300 nan 0.000 0.447 707 P HA 0.190 nan 4.420 nan 0.000 0.312 707 P C -1.139 175.942 177.300 -0.365 0.000 1.308 707 P CA -0.462 62.092 63.100 -0.910 0.000 0.743 707 P CB 1.125 32.452 31.700 -0.622 0.000 1.364 708 L N 1.493 122.588 121.223 -0.214 0.000 2.349 708 L HA 0.380 4.720 4.340 0.000 0.000 0.275 708 L C -2.202 174.619 176.870 -0.082 0.000 1.115 708 L CA -1.827 52.950 54.840 -0.104 0.000 0.820 708 L CB 0.297 42.340 42.059 -0.025 0.000 1.135 708 L HN 0.263 nan 8.230 nan 0.000 0.445 709 P HA 0.184 nan 4.420 nan 0.000 0.282 709 P C -1.457 175.885 177.300 0.071 0.000 1.259 709 P CA -0.841 62.237 63.100 -0.036 0.000 0.826 709 P CB 0.924 32.547 31.700 -0.129 0.000 1.064 710 R N 2.290 122.865 120.500 0.125 0.000 2.296 710 R HA 0.176 4.516 4.340 0.000 0.000 0.323 710 R C -0.836 175.544 176.300 0.134 0.000 1.067 710 R CA -0.425 55.738 56.100 0.104 0.000 0.946 710 R CB -0.412 29.909 30.300 0.036 0.000 0.991 710 R HN 0.349 nan 8.270 nan 0.000 0.448 711 F N 7.105 127.046 119.950 -0.015 0.000 2.421 711 F HA 0.352 4.879 4.527 0.000 0.000 0.358 711 F C -0.597 175.175 175.800 -0.047 0.000 1.115 711 F CA -0.754 57.236 58.000 -0.018 0.000 1.160 711 F CB 0.385 39.380 39.000 -0.010 0.000 1.123 711 F HN 0.388 nan 8.300 nan 0.000 0.508 712 I N 5.085 125.256 120.570 -0.664 0.000 2.822 712 I HA 0.313 4.483 4.170 0.000 0.000 0.312 712 I C -0.687 174.919 176.117 -0.851 0.000 1.011 712 I CA -0.747 60.172 61.300 -0.635 0.000 1.105 712 I CB 1.836 39.575 38.000 -0.435 0.000 1.291 712 I HN 0.450 nan 8.210 nan 0.000 0.474 713 D N 2.672 122.782 120.400 -0.484 0.000 2.527 713 D HA 0.132 4.772 4.640 0.000 0.000 0.242 713 D C -0.840 175.402 176.300 -0.097 0.000 1.285 713 D CA -0.035 53.788 54.000 -0.294 0.000 0.886 713 D CB 1.228 41.867 40.800 -0.268 0.000 1.402 713 D HN 0.530 nan 8.370 nan 0.000 0.528 714 T N 1.362 115.892 114.554 -0.041 0.000 2.892 714 T HA 0.675 5.026 4.350 0.000 0.000 0.280 714 T C -0.244 174.432 174.700 -0.040 0.000 1.004 714 T CA 0.004 62.098 62.100 -0.011 0.000 0.950 714 T CB 1.677 70.569 68.868 0.039 0.000 1.309 714 T HN 0.346 nan 8.240 nan 0.000 0.592 715 E N -0.780 119.339 120.200 -0.136 0.000 2.454 715 E HA 0.594 4.944 4.350 0.000 0.000 0.279 715 E C -1.204 175.201 176.600 -0.325 0.000 1.029 715 E CA -1.231 54.977 56.400 -0.320 0.000 0.831 715 E CB 1.432 31.036 29.700 -0.160 0.000 1.405 715 E HN 0.809 nan 8.360 nan 0.000 0.463 716 A N 0.323 122.926 122.820 -0.361 0.000 2.540 716 A HA 0.410 4.730 4.320 0.000 0.000 0.239 716 A C 1.017 178.598 177.584 -0.004 0.000 1.061 716 A CA 1.075 53.085 52.037 -0.044 0.000 0.758 716 A CB -0.866 18.130 19.000 -0.006 0.000 0.991 716 A HN 0.979 nan 8.150 nan 0.000 0.502 717 G N 1.662 110.496 108.800 0.056 0.000 2.295 717 G HA2 0.143 4.103 3.960 0.000 0.000 0.287 717 G HA3 0.143 4.103 3.960 0.000 0.000 0.287 717 G C 0.573 175.476 174.900 0.006 0.000 1.055 717 G CA 0.686 45.799 45.100 0.022 0.000 0.922 717 G HN 1.906 nan 8.290 nan 0.000 0.503 718 G N -1.519 107.294 108.800 0.023 0.000 2.454 718 G HA2 0.625 4.585 3.960 0.000 0.000 0.329 718 G HA3 0.625 4.585 3.960 0.000 0.000 0.329 718 G C 0.801 175.701 174.900 0.000 0.000 1.177 718 G CA 0.794 45.897 45.100 0.004 0.000 0.951 718 G HN 0.787 nan 8.290 nan 0.000 0.485 719 S N -0.576 115.112 115.700 -0.020 0.000 2.446 719 S HA -0.051 4.419 4.470 0.000 0.000 0.225 719 S C 1.964 176.518 174.600 -0.078 0.000 1.016 719 S CA 1.035 59.206 58.200 -0.049 0.000 0.943 719 S CB -0.138 63.032 63.200 -0.050 0.000 0.786 719 S HN 0.614 nan 8.310 nan 0.000 0.508 720 Q N 0.136 119.922 119.800 -0.022 0.000 2.389 720 Q HA 0.238 4.579 4.340 0.000 0.000 0.204 720 Q C 2.082 178.130 176.000 0.080 0.000 0.944 720 Q CA 0.726 56.551 55.803 0.037 0.000 0.908 720 Q CB -0.130 28.657 28.738 0.081 0.000 1.002 720 Q HN 0.606 nan 8.270 nan 0.000 0.493 721 A N 1.168 124.033 122.820 0.076 0.000 2.216 721 A HA -0.111 4.209 4.320 0.000 0.000 0.214 721 A C 1.733 179.370 177.584 0.088 0.000 1.160 721 A CA 0.553 52.689 52.037 0.165 0.000 0.725 721 A CB -0.205 18.958 19.000 0.271 0.000 0.784 721 A HN 0.197 nan 8.150 nan 0.000 0.472 722 R N -1.730 118.753 120.500 -0.027 0.000 2.276 722 R HA 0.080 4.420 4.340 0.000 0.000 0.203 722 R C 0.692 176.943 176.300 -0.083 0.000 1.017 722 R CA 0.614 56.660 56.100 -0.090 0.000 1.010 722 R CB -0.296 29.892 30.300 -0.187 0.000 0.900 722 R HN 0.597 nan 8.270 nan 0.000 0.469 723 F N 0.116 120.043 119.950 -0.039 0.000 2.805 723 F HA -0.078 4.450 4.527 0.000 0.000 0.301 723 F C 1.654 177.494 175.800 0.067 0.000 1.196 723 F CA 0.057 58.022 58.000 -0.059 0.000 1.439 723 F CB 0.340 39.137 39.000 -0.338 0.000 1.117 723 F HN 0.065 nan 8.300 nan 0.000 0.581 724 L N -0.957 120.378 121.223 0.187 0.000 2.614 724 L HA 0.170 4.510 4.340 0.000 0.000 0.185 724 L C 1.748 178.653 176.870 0.057 0.000 1.098 724 L CA 1.149 56.064 54.840 0.124 0.000 0.852 724 L CB -0.869 41.221 42.059 0.053 0.000 1.213 724 L HN -0.051 nan 8.230 nan 0.000 0.491 725 L N 0.563 121.796 121.223 0.017 0.000 2.051 725 L HA -0.244 4.096 4.340 0.000 0.000 0.214 725 L C 2.662 179.547 176.870 0.026 0.000 1.076 725 L CA 1.933 56.775 54.840 0.002 0.000 0.758 725 L CB -1.244 40.810 42.059 -0.010 0.000 0.890 725 L HN 0.572 nan 8.230 nan 0.000 0.433 726 S N -0.373 115.350 115.700 0.039 0.000 2.400 726 S HA -0.146 4.325 4.470 0.000 0.000 0.232 726 S C 1.469 176.106 174.600 0.063 0.000 1.025 726 S CA 0.887 59.115 58.200 0.046 0.000 0.993 726 S CB -0.250 62.984 63.200 0.056 0.000 0.808 726 S HN 0.356 nan 8.310 nan 0.000 0.478 727 K N 1.420 121.870 120.400 0.084 0.000 2.577 727 K HA 0.456 4.776 4.320 0.000 0.000 0.210 727 K C -0.311 176.335 176.600 0.076 0.000 1.048 727 K CA 0.004 56.334 56.287 0.072 0.000 1.188 727 K CB -0.169 32.379 32.500 0.081 0.000 0.910 727 K HN 0.462 nan 8.250 nan 0.000 0.483 728 L N 0.304 121.582 121.223 0.091 0.000 2.354 728 L HA 0.350 4.691 4.340 0.000 0.000 0.264 728 L C -0.115 176.844 176.870 0.149 0.000 1.008 728 L CA -1.237 53.671 54.840 0.114 0.000 0.819 728 L CB 1.720 43.809 42.059 0.050 0.000 1.339 728 L HN -0.049 nan 8.230 nan 0.000 0.420 729 N N 1.393 120.204 118.700 0.184 0.000 2.530 729 N HA 0.242 4.983 4.740 0.000 0.000 0.273 729 N C -2.467 173.098 175.510 0.091 0.000 1.173 729 N CA -1.282 51.872 53.050 0.173 0.000 0.967 729 N CB 1.092 39.680 38.487 0.169 0.000 1.109 729 N HN 0.197 nan 8.380 nan 0.000 0.453 730 P HA 0.161 nan 4.420 nan 0.000 0.237 730 P C -0.607 176.703 177.300 0.017 0.000 1.788 730 P CA -0.129 62.994 63.100 0.038 0.000 1.061 730 P CB 0.078 31.800 31.700 0.037 0.000 1.967 744 I N 1.704 122.270 120.570 -0.007 0.000 2.846 744 I HA 0.756 4.926 4.170 0.000 0.000 0.307 744 I C -0.392 175.721 176.117 -0.007 0.000 1.053 744 I CA -1.514 59.782 61.300 -0.006 0.000 1.050 744 I CB 2.235 40.232 38.000 -0.004 0.000 1.239 744 I HN 0.475 nan 8.210 nan 0.000 0.439 745 V N 2.513 122.424 119.914 -0.005 0.000 2.378 745 V HA 0.472 4.592 4.120 0.000 0.000 0.288 745 V C -0.349 175.742 176.094 -0.005 0.000 1.016 745 V CA -0.788 61.509 62.300 -0.004 0.000 0.840 745 V CB 1.186 33.010 31.823 0.002 0.000 0.994 745 V HN 0.490 nan 8.190 nan 0.000 0.431 746 L N 4.863 126.081 121.223 -0.008 0.000 2.536 746 L HA 0.592 4.932 4.340 0.000 0.000 0.282 746 L C 0.508 177.369 176.870 -0.015 0.000 1.147 746 L CA 0.773 55.606 54.840 -0.012 0.000 0.936 746 L CB -0.081 41.970 42.059 -0.012 0.000 1.279 746 L HN 1.025 nan 8.230 nan 0.000 0.461 747 T N -0.194 114.351 114.554 -0.016 0.000 2.907 747 T HA 0.138 4.489 4.350 0.000 0.000 0.344 747 T C -0.662 174.025 174.700 -0.023 0.000 1.675 747 T CA -0.685 61.401 62.100 -0.023 0.000 1.076 747 T CB 1.478 70.334 68.868 -0.020 0.000 1.483 747 T HN 0.499 nan 8.240 nan 0.000 0.487 748 D N 1.900 122.279 120.400 -0.034 0.000 2.388 748 D HA 0.189 4.829 4.640 0.000 0.000 0.221 748 D C -0.554 175.727 176.300 -0.032 0.000 1.133 748 D CA -0.094 53.886 54.000 -0.032 0.000 0.831 748 D CB 0.317 41.092 40.800 -0.041 0.000 0.962 748 D HN 0.491 nan 8.370 nan 0.000 0.502 749 D N 0.979 121.362 120.400 -0.028 0.000 2.346 749 D HA 0.011 4.651 4.640 0.000 0.000 0.260 749 D C 0.334 176.640 176.300 0.010 0.000 1.252 749 D CA -0.111 53.874 54.000 -0.025 0.000 0.895 749 D CB 1.263 42.045 40.800 -0.030 0.000 1.097 749 D HN -0.172 nan 8.370 nan 0.000 0.489 750 V N 3.512 123.432 119.914 0.010 0.000 2.742 750 V HA -0.131 3.990 4.120 0.000 0.000 0.302 750 V C 0.654 176.798 176.094 0.084 0.000 1.133 750 V CA 0.618 62.939 62.300 0.035 0.000 1.284 750 V CB 0.518 32.362 31.823 0.034 0.000 0.850 750 V HN 0.619 nan 8.190 nan 0.000 0.494 751 S N 4.901 120.614 115.700 0.022 0.000 2.606 751 S HA 0.129 4.599 4.470 0.000 0.000 0.257 751 S C 0.774 175.232 174.600 -0.236 0.000 1.327 751 S CA 0.197 58.383 58.200 -0.024 0.000 0.984 751 S CB 0.983 64.159 63.200 -0.041 0.000 0.941 751 S HN 0.957 nan 8.310 nan 0.000 0.576 752 L N 2.218 123.191 121.223 -0.416 0.000 2.017 752 L HA -0.051 4.289 4.340 0.000 0.000 0.208 752 L C 2.639 179.275 176.870 -0.390 0.000 1.073 752 L CA 2.171 56.529 54.840 -0.803 0.000 0.745 752 L CB -1.424 40.312 42.059 -0.538 0.000 0.894 752 L HN 0.904 nan 8.230 nan 0.000 0.432 753 Q N 0.066 119.734 119.800 -0.220 0.000 2.045 753 Q HA -0.305 4.035 4.340 0.000 0.000 0.206 753 Q C 2.037 177.968 176.000 -0.115 0.000 0.991 753 Q CA 2.610 58.328 55.803 -0.141 0.000 0.851 753 Q CB -0.453 28.230 28.738 -0.092 0.000 0.911 753 Q HN 0.646 nan 8.270 nan 0.000 0.418 754 N N -0.257 118.395 118.700 -0.079 0.000 2.149 754 N HA -0.132 4.608 4.740 0.000 0.000 0.188 754 N C 1.365 176.886 175.510 0.019 0.000 1.019 754 N CA 1.309 54.344 53.050 -0.026 0.000 0.857 754 N CB -0.434 38.053 38.487 -0.000 0.000 0.997 754 N HN 0.235 nan 8.380 nan 0.000 0.426 755 F N 1.224 121.054 119.950 -0.200 0.000 2.075 755 F HA -0.101 4.426 4.527 0.000 0.000 0.297 755 F C 2.031 177.735 175.800 -0.159 0.000 1.113 755 F CA 1.278 59.167 58.000 -0.185 0.000 1.218 755 F CB -0.386 38.426 39.000 -0.312 0.000 0.984 755 F HN -0.041 nan 8.300 nan 0.000 0.472 756 M N -0.081 119.327 119.600 -0.320 0.000 2.073 756 M HA -0.231 4.249 4.480 0.000 0.000 0.258 756 M C 2.151 178.244 176.300 -0.346 0.000 1.070 756 M CA 2.269 57.333 55.300 -0.393 0.000 1.103 756 M CB -1.909 30.540 32.600 -0.252 0.000 1.321 756 M HN 0.134 nan 8.290 nan 0.000 0.405 757 T N -0.331 114.093 114.554 -0.216 0.000 2.597 757 T HA -0.238 4.112 4.350 0.000 0.000 0.267 757 T C 1.813 176.405 174.700 -0.180 0.000 1.053 757 T CA 1.934 63.928 62.100 -0.177 0.000 1.165 757 T CB -0.683 68.126 68.868 -0.099 0.000 0.863 757 T HN 0.417 nan 8.240 nan 0.000 0.427 758 H N 1.022 119.973 119.070 -0.199 0.000 2.387 758 H HA -0.061 4.495 4.556 0.000 0.000 0.299 758 H C 2.370 177.542 175.328 -0.259 0.000 1.099 758 H CA 1.524 57.470 56.048 -0.170 0.000 1.315 758 H CB -0.535 29.178 29.762 -0.082 0.000 1.380 758 H HN 0.296 nan 8.280 nan 0.000 0.513 759 L N 1.492 122.590 121.223 -0.208 0.000 2.012 759 L HA -0.205 4.135 4.340 0.000 0.000 0.210 759 L C 2.237 178.796 176.870 -0.519 0.000 1.073 759 L CA 1.881 56.500 54.840 -0.368 0.000 0.748 759 L CB -0.748 40.958 42.059 -0.589 0.000 0.891 759 L HN 0.262 nan 8.230 nan 0.000 0.431 760 Q N -1.099 118.306 119.800 -0.659 0.000 2.436 760 Q HA -0.137 4.203 4.340 0.000 0.000 0.209 760 Q C 1.991 177.742 176.000 -0.414 0.000 0.965 760 Q CA 1.181 56.521 55.803 -0.772 0.000 0.910 760 Q CB -0.048 28.266 28.738 -0.707 0.000 0.980 760 Q HN 0.709 nan 8.270 nan 0.000 0.491 761 Q N -0.757 118.824 119.800 -0.365 0.000 2.376 761 Q HA 0.031 4.372 4.340 0.000 0.000 0.206 761 Q C 1.566 177.393 176.000 -0.289 0.000 0.921 761 Q CA 0.523 56.150 55.803 -0.293 0.000 0.911 761 Q CB 0.742 29.302 28.738 -0.297 0.000 1.032 761 Q HN 0.169 nan 8.270 nan 0.000 0.510 762 V N 0.257 119.974 119.914 -0.328 0.000 3.590 762 V HA 0.067 4.187 4.120 0.000 0.000 0.265 762 V C 1.874 177.856 176.094 -0.185 0.000 1.239 762 V CA 1.028 63.190 62.300 -0.229 0.000 1.117 762 V CB 0.139 31.853 31.823 -0.180 0.000 0.818 762 V HN 0.272 nan 8.190 nan 0.000 0.451 763 A N 1.172 123.843 122.820 -0.248 0.000 1.855 763 A HA -0.127 4.193 4.320 0.000 0.000 0.215 763 A C 2.276 179.583 177.584 -0.461 0.000 1.191 763 A CA 2.094 53.964 52.037 -0.278 0.000 0.613 763 A CB -0.632 18.235 19.000 -0.222 0.000 0.829 763 A HN 0.598 nan 8.150 nan 0.000 0.442 764 V N -0.689 118.955 119.914 -0.450 0.000 2.970 764 V HA -0.006 4.114 4.120 0.000 0.000 0.260 764 V C 1.503 177.535 176.094 -0.103 0.000 1.100 764 V CA 0.774 62.862 62.300 -0.352 0.000 1.122 764 V CB -1.936 29.804 31.823 -0.138 0.000 0.721 764 V HN 0.643 nan 8.190 nan 0.000 0.483 765 S N 0.000 115.634 115.700 -0.111 0.000 2.498 765 S HA 0.000 4.470 4.470 0.000 0.000 0.327 765 S CA 0.000 58.169 58.200 -0.052 0.000 1.107 765 S CB 0.000 63.161 63.200 -0.065 0.000 0.593 765 S HN 0.000 nan 8.310 nan 0.000 0.517