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 1m2v_1_A DATA FIRST_RESID 2 DATA SEQUENCE DFETNEDING VRFTWNVFPS TRSDANSNVV PVGCLYTPLK EYDELNVAPY DATA SEQUENCE NPVVCSGPHC KSILNPYCVI DPRNSSWSCP ICNSRNHLPP QYTNLSQENM DATA SEQUENCE PLELQSTTIE YITNKPVTVP PIFFFVVDLT SETENLDSLK ESIITSLSLL DATA SEQUENCE PPNALIGLIT YGNVVQLHDL SSETIDRCNV FRGDREYQLE ALTEMLTXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXP 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 XXXXXXXXXR PHLAYTQFIT TYQHSSGTNR DATA SEQUENCE IRVTTVANQL LPFGTPAIAA SFDQEAAAVL MARIAVHKAE TXXXXDVIRW 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 RFLLSKLXXX XXXXXXXXXX XXXXXXXXVS DATA SEQUENCE LQNFMTHLQQ VAVSGQA 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 0.000 176.381 176.300 0.134 0.000 2.045 2 D CA 0.000 53.974 54.000 -0.043 0.000 0.868 2 D CB 0.000 40.741 40.800 -0.098 0.000 0.688 3 F N 0.918 120.865 119.950 -0.006 0.000 2.187 3 F HA -0.072 4.454 4.527 -0.001 0.000 0.295 3 F C 2.349 178.143 175.800 -0.009 0.000 1.091 3 F CA 0.472 58.463 58.000 -0.015 0.000 1.308 3 F CB 0.366 39.340 39.000 -0.043 0.000 1.030 3 F HN 0.068 nan 8.300 nan 0.000 0.487 4 E N 0.249 120.562 120.200 0.188 0.000 2.107 4 E HA -0.102 4.248 4.350 -0.001 0.000 0.191 4 E C 2.062 178.710 176.600 0.080 0.000 0.982 4 E CA 1.333 57.791 56.400 0.097 0.000 0.809 4 E CB -0.876 28.861 29.700 0.062 0.000 0.756 4 E HN 0.320 nan 8.360 nan 0.000 0.459 5 T N 1.894 116.498 114.554 0.082 0.000 2.580 5 T HA -0.213 4.136 4.350 -0.001 0.000 0.265 5 T C 1.810 176.568 174.700 0.097 0.000 1.063 5 T CA 1.794 63.939 62.100 0.075 0.000 1.170 5 T CB -0.579 68.326 68.868 0.062 0.000 0.863 5 T HN 0.127 nan 8.240 nan 0.000 0.418 6 N N 1.024 119.794 118.700 0.117 0.000 2.132 6 N HA -0.168 4.571 4.740 -0.001 0.000 0.191 6 N C 1.819 177.408 175.510 0.133 0.000 1.015 6 N CA 1.799 54.930 53.050 0.135 0.000 0.864 6 N CB -0.178 38.405 38.487 0.159 0.000 1.006 6 N HN 0.639 nan 8.380 nan 0.000 0.430 7 E N -0.494 119.766 120.200 0.101 0.000 2.072 7 E HA -0.143 4.207 4.350 -0.001 0.000 0.190 7 E C 0.870 177.510 176.600 0.067 0.000 0.982 7 E CA 1.036 57.472 56.400 0.060 0.000 0.803 7 E CB -0.055 29.647 29.700 0.003 0.000 0.755 7 E HN 0.383 nan 8.360 nan 0.000 0.453 8 D N 0.390 120.833 120.400 0.072 0.000 2.178 8 D HA -0.118 4.521 4.640 -0.001 0.000 0.201 8 D C 1.916 178.353 176.300 0.227 0.000 0.980 8 D CA 0.986 55.034 54.000 0.081 0.000 0.842 8 D CB 0.119 40.958 40.800 0.065 0.000 0.948 8 D HN 0.374 nan 8.370 nan 0.000 0.472 9 I N 0.214 120.917 120.570 0.223 0.000 3.265 9 I HA -0.029 4.140 4.170 -0.001 0.000 0.282 9 I C 1.096 177.364 176.117 0.251 0.000 1.207 9 I CA 0.423 61.857 61.300 0.223 0.000 1.449 9 I CB 0.225 38.292 38.000 0.112 0.000 1.121 9 I HN -0.139 nan 8.210 nan 0.000 0.442 10 N N 0.199 119.069 118.700 0.283 0.000 2.118 10 N HA 0.115 4.855 4.740 -0.001 0.000 0.226 10 N C 0.944 176.654 175.510 0.333 0.000 1.305 10 N CA 0.714 53.933 53.050 0.282 0.000 0.890 10 N CB 1.354 39.960 38.487 0.199 0.000 1.118 10 N HN 0.225 nan 8.380 nan 0.000 0.511 11 G N 1.394 110.334 108.800 0.234 0.000 2.323 11 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.292 11 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.292 11 G C -0.440 174.519 174.900 0.098 0.000 1.040 11 G CA 0.461 45.604 45.100 0.072 0.000 0.942 11 G HN 0.175 nan 8.290 nan 0.000 0.506 12 V N 0.127 120.087 119.914 0.075 0.000 2.638 12 V HA 0.711 4.831 4.120 -0.001 0.000 0.306 12 V C 0.192 176.282 176.094 -0.007 0.000 1.052 12 V CA -0.932 61.367 62.300 -0.002 0.000 0.885 12 V CB 2.098 33.931 31.823 0.017 0.000 0.999 12 V HN 0.414 nan 8.190 nan 0.000 0.424 13 R N 3.812 124.234 120.500 -0.131 0.000 2.507 13 R HA 0.489 4.828 4.340 -0.001 0.000 0.298 13 R C -1.576 174.611 176.300 -0.188 0.000 1.087 13 R CA -0.409 55.620 56.100 -0.119 0.000 0.917 13 R CB 1.824 32.014 30.300 -0.184 0.000 1.173 13 R HN 0.521 nan 8.270 nan 0.000 0.472 14 F N 0.774 120.649 119.950 -0.125 0.000 2.384 14 F HA 0.103 4.630 4.527 -0.001 0.000 0.338 14 F C 2.125 177.783 175.800 -0.237 0.000 1.103 14 F CA 0.012 57.967 58.000 -0.075 0.000 1.157 14 F CB 1.452 40.509 39.000 0.095 0.000 1.167 14 F HN 0.530 nan 8.300 nan 0.000 0.529 15 T N -1.389 113.151 114.554 -0.023 0.000 2.708 15 T HA -0.185 4.164 4.350 -0.001 0.000 0.266 15 T C 0.162 174.592 174.700 -0.450 0.000 1.037 15 T CA 0.805 62.701 62.100 -0.340 0.000 1.146 15 T CB -0.311 68.450 68.868 -0.178 0.000 0.865 15 T HN 0.433 nan 8.240 nan 0.000 0.435 16 W N 1.848 123.225 121.300 0.129 0.000 2.471 16 W HA 0.573 5.233 4.660 -0.000 0.000 0.318 16 W C 0.631 177.296 176.519 0.242 0.000 1.034 16 W CA -1.124 56.339 57.345 0.196 0.000 1.224 16 W CB 0.969 30.586 29.460 0.262 0.000 1.335 16 W HN -0.033 nan 8.180 nan 0.000 0.452 17 N N 1.494 120.403 118.700 0.350 0.000 2.398 17 N HA 0.029 4.769 4.740 -0.001 0.000 0.188 17 N C -0.591 174.922 175.510 0.006 0.000 1.122 17 N CA 0.501 53.639 53.050 0.147 0.000 0.866 17 N CB 0.747 39.345 38.487 0.184 0.000 0.970 17 N HN 0.078 nan 8.380 nan 0.000 0.462 18 V N 2.615 122.631 119.914 0.169 0.000 2.462 18 V HA 0.274 4.394 4.120 -0.001 0.000 0.288 18 V C -0.633 175.590 176.094 0.215 0.000 1.020 18 V CA -0.805 61.509 62.300 0.023 0.000 0.857 18 V CB 1.018 32.880 31.823 0.065 0.000 1.013 18 V HN -0.112 nan 8.190 nan 0.000 0.431 19 F N 5.192 125.105 119.950 -0.062 0.000 2.450 19 F HA 0.440 4.967 4.527 -0.001 0.000 0.339 19 F C -1.782 173.973 175.800 -0.075 0.000 1.146 19 F CA -2.961 55.000 58.000 -0.065 0.000 1.267 19 F CB -0.172 38.767 39.000 -0.102 0.000 1.178 19 F HN 0.258 nan 8.300 nan 0.000 0.585 20 P HA 0.091 nan 4.420 nan 0.000 0.274 20 P C 0.357 177.713 177.300 0.093 0.000 1.237 20 P CA -0.052 63.068 63.100 0.033 0.000 0.793 20 P CB 0.601 32.282 31.700 -0.032 0.000 0.977 21 S N -0.891 114.866 115.700 0.094 0.000 2.593 21 S HA 0.097 4.566 4.470 -0.001 0.000 0.217 21 S C 0.530 175.192 174.600 0.104 0.000 0.966 21 S CA 0.456 58.727 58.200 0.119 0.000 0.914 21 S CB -0.900 62.368 63.200 0.115 0.000 0.776 21 S HN 0.641 nan 8.310 nan 0.000 0.523 22 T N -2.155 112.449 114.554 0.083 0.000 2.868 22 T HA 0.482 4.831 4.350 -0.001 0.000 0.306 22 T C 0.236 174.970 174.700 0.057 0.000 1.224 22 T CA -0.990 61.150 62.100 0.066 0.000 1.012 22 T CB 1.765 70.663 68.868 0.049 0.000 1.221 22 T HN 0.017 nan 8.240 nan 0.000 0.499 23 R N 0.744 121.275 120.500 0.052 0.000 2.127 23 R HA -0.073 4.266 4.340 -0.001 0.000 0.238 23 R C 1.943 178.270 176.300 0.046 0.000 1.134 23 R CA 1.933 58.064 56.100 0.051 0.000 0.975 23 R CB -0.617 29.714 30.300 0.052 0.000 0.865 23 R HN 0.696 nan 8.270 nan 0.000 0.447 24 S N 0.951 116.671 115.700 0.033 0.000 2.356 24 S HA -0.131 4.339 4.470 -0.001 0.000 0.223 24 S C 1.237 175.863 174.600 0.042 0.000 1.032 24 S CA 1.466 59.678 58.200 0.020 0.000 1.005 24 S CB -0.252 62.936 63.200 -0.019 0.000 0.867 24 S HN 0.440 nan 8.310 nan 0.000 0.449 25 D N 1.944 122.384 120.400 0.067 0.000 2.097 25 D HA -0.050 4.590 4.640 -0.001 0.000 0.195 25 D C 2.209 178.542 176.300 0.055 0.000 0.989 25 D CA 1.301 55.377 54.000 0.127 0.000 0.827 25 D CB -0.481 40.406 40.800 0.145 0.000 0.966 25 D HN 0.404 nan 8.370 nan 0.000 0.456 26 A N 1.480 124.314 122.820 0.023 0.000 1.978 26 A HA -0.208 4.111 4.320 -0.001 0.000 0.220 26 A C 1.939 179.556 177.584 0.055 0.000 1.170 26 A CA 1.408 53.442 52.037 -0.005 0.000 0.636 26 A CB -0.376 18.636 19.000 0.020 0.000 0.810 26 A HN 0.149 nan 8.150 nan 0.000 0.448 27 N N 0.393 119.138 118.700 0.075 0.000 2.250 27 N HA -0.105 4.634 4.740 -0.001 0.000 0.181 27 N C 1.922 177.498 175.510 0.112 0.000 1.017 27 N CA 1.622 54.731 53.050 0.100 0.000 0.866 27 N CB -0.527 38.010 38.487 0.082 0.000 0.985 27 N HN 0.635 nan 8.380 nan 0.000 0.429 28 S N 0.450 116.213 115.700 0.105 0.000 2.507 28 S HA 0.048 4.518 4.470 -0.001 0.000 0.235 28 S C 1.299 175.993 174.600 0.157 0.000 0.988 28 S CA 0.527 58.805 58.200 0.129 0.000 0.944 28 S CB -0.111 63.194 63.200 0.175 0.000 0.762 28 S HN 0.128 nan 8.310 nan 0.000 0.526 29 N N 0.812 119.595 118.700 0.139 0.000 2.412 29 N HA 0.174 4.914 4.740 -0.001 0.000 0.184 29 N C 1.279 177.003 175.510 0.357 0.000 1.101 29 N CA 0.670 53.849 53.050 0.215 0.000 0.881 29 N CB 0.279 38.671 38.487 -0.157 0.000 0.969 29 N HN 0.293 nan 8.380 nan 0.000 0.459 30 V N -1.214 118.853 119.914 0.256 0.000 0.595 30 V HA -0.351 3.768 4.120 -0.001 0.000 0.092 30 V C 0.716 176.987 176.094 0.294 0.000 1.786 30 V CA 1.808 64.249 62.300 0.235 0.000 3.384 30 V CB -1.473 30.461 31.823 0.185 0.000 0.670 30 V HN 0.073 nan 8.190 nan 0.000 0.691 31 V N 4.237 124.379 119.914 0.380 0.000 2.485 31 V HA 0.201 4.320 4.120 -0.001 0.000 0.287 31 V C -1.500 174.922 176.094 0.547 0.000 1.022 31 V CA -0.421 62.127 62.300 0.413 0.000 1.067 31 V CB 0.602 32.632 31.823 0.345 0.000 0.967 31 V HN 0.478 nan 8.190 nan 0.000 0.479 32 P HA 0.059 nan 4.420 nan 0.000 0.270 32 P C -0.460 177.141 177.300 0.502 0.000 1.227 32 P CA -0.185 63.167 63.100 0.420 0.000 0.788 32 P CB 0.388 32.325 31.700 0.396 0.000 0.926 33 V N 1.912 122.060 119.914 0.390 0.000 2.389 33 V HA 0.591 4.711 4.120 -0.001 0.000 0.264 33 V C 0.915 177.238 176.094 0.380 0.000 1.049 33 V CA 0.734 63.221 62.300 0.312 0.000 0.932 33 V CB -0.069 31.707 31.823 -0.078 0.000 1.011 33 V HN 0.852 nan 8.190 nan 0.000 0.475 34 G N 3.321 112.331 108.800 0.350 0.000 2.608 34 G HA2 0.671 4.631 3.960 -0.001 0.000 0.291 34 G HA3 0.671 4.631 3.960 -0.001 0.000 0.291 34 G C -1.065 173.768 174.900 -0.111 0.000 1.425 34 G CA -0.037 45.172 45.100 0.182 0.000 0.787 34 G HN 1.037 nan 8.290 nan 0.000 0.484 35 C N -1.181 117.897 119.300 -0.370 0.000 3.236 35 C HA 0.878 5.338 4.460 -0.001 0.000 0.312 35 C C -1.162 173.552 174.990 -0.461 0.000 1.374 35 C CA -1.111 57.565 59.018 -0.569 0.000 1.455 35 C CB 0.908 27.931 27.740 -1.195 0.000 1.834 35 C HN 0.917 nan 8.230 nan 0.000 0.460 36 L N 2.479 123.467 121.223 -0.392 0.000 2.298 36 L HA 0.643 4.983 4.340 -0.001 0.000 0.284 36 L C -1.038 175.686 176.870 -0.243 0.000 1.013 36 L CA -0.123 54.522 54.840 -0.325 0.000 0.824 36 L CB 0.855 42.722 42.059 -0.319 0.000 1.221 36 L HN 0.856 nan 8.230 nan 0.000 0.418 37 Y N 3.116 123.184 120.300 -0.386 0.000 2.468 37 Y HA 0.650 5.199 4.550 -0.001 0.000 0.342 37 Y C -0.544 175.195 175.900 -0.268 0.000 1.021 37 Y CA -1.089 56.766 58.100 -0.408 0.000 1.079 37 Y CB 2.101 40.161 38.460 -0.666 0.000 1.226 37 Y HN 0.586 nan 8.280 nan 0.000 0.460 38 T N 8.734 122.924 114.554 -0.606 0.000 3.241 38 T HA 0.197 4.547 4.350 -0.001 0.000 0.387 38 T C -1.989 172.196 174.700 -0.858 0.000 1.451 38 T CA -1.113 60.623 62.100 -0.608 0.000 1.363 38 T CB 0.955 69.576 68.868 -0.413 0.000 1.074 38 T HN 0.521 nan 8.240 nan 0.000 0.598 39 P HA -0.091 nan 4.420 nan 0.000 0.216 39 P C 0.743 177.843 177.300 -0.334 0.000 1.154 39 P CA 1.142 63.742 63.100 -0.833 0.000 0.865 39 P CB 0.277 31.662 31.700 -0.526 0.000 0.789 40 L N -0.838 120.188 121.223 -0.328 0.000 2.978 40 L HA 0.260 4.600 4.340 -0.001 0.000 0.239 40 L C 1.141 177.881 176.870 -0.217 0.000 1.293 40 L CA -0.573 54.118 54.840 -0.248 0.000 1.085 40 L CB -0.554 41.290 42.059 -0.359 0.000 1.432 40 L HN -0.029 nan 8.230 nan 0.000 0.512 41 K N 1.772 122.033 120.400 -0.233 0.000 2.436 41 K HA 0.087 4.406 4.320 -0.001 0.000 0.275 41 K C -0.134 176.255 176.600 -0.351 0.000 0.999 41 K CA -0.091 55.975 56.287 -0.368 0.000 0.980 41 K CB 0.716 32.923 32.500 -0.489 0.000 0.919 41 K HN 0.215 nan 8.250 nan 0.000 0.484 42 E N 2.756 122.718 120.200 -0.397 0.000 2.259 42 E HA 0.145 4.495 4.350 -0.001 0.000 0.281 42 E C -1.274 175.100 176.600 -0.377 0.000 1.027 42 E CA -0.405 55.852 56.400 -0.237 0.000 0.838 42 E CB 0.747 30.353 29.700 -0.156 0.000 1.066 42 E HN 0.362 nan 8.360 nan 0.000 0.401 43 Y N 0.962 121.237 120.300 -0.042 0.000 2.446 43 Y HA 0.137 4.687 4.550 -0.001 0.000 0.345 43 Y C 0.870 176.759 175.900 -0.017 0.000 0.984 43 Y CA -0.927 57.155 58.100 -0.029 0.000 1.058 43 Y CB 1.344 39.790 38.460 -0.022 0.000 1.220 43 Y HN 0.491 nan 8.280 nan 0.000 0.455 44 D N 0.809 121.284 120.400 0.125 0.000 2.310 44 D HA -0.093 4.546 4.640 -0.001 0.000 0.212 44 D C 0.111 176.456 176.300 0.076 0.000 0.965 44 D CA 1.298 55.343 54.000 0.075 0.000 0.879 44 D CB 0.387 41.216 40.800 0.048 0.000 0.921 44 D HN 0.602 nan 8.370 nan 0.000 0.510 45 E N 0.619 120.876 120.200 0.096 0.000 3.858 45 E HA 0.099 4.448 4.350 -0.001 0.000 0.208 45 E C -0.348 176.256 176.600 0.007 0.000 1.041 45 E CA -0.460 55.966 56.400 0.044 0.000 1.368 45 E CB 0.534 30.250 29.700 0.026 0.000 1.176 45 E HN 0.086 nan 8.360 nan 0.000 0.448 46 L N 1.766 123.004 121.223 0.024 0.000 2.410 46 L HA 0.174 4.513 4.340 -0.001 0.000 0.273 46 L C -0.013 176.808 176.870 -0.083 0.000 1.152 46 L CA 0.112 54.915 54.840 -0.062 0.000 0.855 46 L CB 0.380 42.448 42.059 0.014 0.000 1.129 46 L HN -0.055 nan 8.230 nan 0.000 0.463 47 N N 3.983 122.599 118.700 -0.140 0.000 2.444 47 N HA 0.289 5.029 4.740 -0.001 0.000 0.271 47 N C -1.221 174.173 175.510 -0.193 0.000 1.069 47 N CA -0.223 52.739 53.050 -0.148 0.000 0.965 47 N CB 1.632 40.022 38.487 -0.163 0.000 1.092 47 N HN 0.401 nan 8.380 nan 0.000 0.476 48 V N 1.613 121.421 119.914 -0.177 0.000 2.409 48 V HA 0.496 4.616 4.120 -0.001 0.000 0.291 48 V C 0.128 176.050 176.094 -0.287 0.000 1.020 48 V CA -1.109 61.058 62.300 -0.221 0.000 0.848 48 V CB 1.332 33.069 31.823 -0.144 0.000 0.990 48 V HN 0.690 nan 8.190 nan 0.000 0.430 49 A N 7.028 129.554 122.820 -0.491 0.000 2.279 49 A HA 0.682 5.002 4.320 -0.001 0.000 0.306 49 A C -2.325 174.920 177.584 -0.565 0.000 1.300 49 A CA -1.564 50.039 52.037 -0.723 0.000 0.925 49 A CB 0.383 18.582 19.000 -1.335 0.000 1.152 49 A HN 0.653 nan 8.150 nan 0.000 0.544 50 P HA 0.266 nan 4.420 nan 0.000 0.232 50 P C -1.175 176.205 177.300 0.132 0.000 1.738 50 P CA 0.575 63.653 63.100 -0.037 0.000 0.948 50 P CB -0.996 30.735 31.700 0.052 0.000 1.943 51 Y N -3.137 117.215 120.300 0.086 0.000 2.774 51 Y HA 0.329 4.878 4.550 -0.001 0.000 0.346 51 Y C -0.873 175.123 175.900 0.159 0.000 1.222 51 Y CA -1.522 56.635 58.100 0.094 0.000 1.088 51 Y CB 0.351 38.856 38.460 0.076 0.000 1.354 51 Y HN -0.246 nan 8.280 nan 0.000 0.455 52 N N 2.093 120.964 118.700 0.285 0.000 2.503 52 N HA 0.358 5.098 4.740 -0.001 0.000 0.267 52 N C -2.648 172.888 175.510 0.042 0.000 1.214 52 N CA -1.172 51.936 53.050 0.097 0.000 0.959 52 N CB 0.894 39.405 38.487 0.041 0.000 1.142 52 N HN 0.372 nan 8.380 nan 0.000 0.455 53 P HA 0.088 nan 4.420 nan 0.000 0.274 53 P C -0.680 176.524 177.300 -0.160 0.000 1.237 53 P CA -0.298 62.438 63.100 -0.607 0.000 0.793 53 P CB 0.713 31.846 31.700 -0.944 0.000 0.977 54 V N 3.169 123.033 119.914 -0.084 0.000 2.339 54 V HA 0.102 4.221 4.120 -0.001 0.000 0.261 54 V C 0.411 176.498 176.094 -0.011 0.000 1.058 54 V CA -0.289 62.006 62.300 -0.008 0.000 0.897 54 V CB 0.675 32.478 31.823 -0.035 0.000 1.052 54 V HN 0.249 nan 8.190 nan 0.000 0.480 55 V N 4.200 124.162 119.914 0.079 0.000 2.785 55 V HA 0.217 4.336 4.120 -0.001 0.000 0.300 55 V C 0.668 176.958 176.094 0.327 0.000 1.062 55 V CA -0.573 61.814 62.300 0.145 0.000 1.029 55 V CB 1.660 33.529 31.823 0.077 0.000 1.024 55 V HN 0.972 nan 8.190 nan 0.000 0.477 56 C N 3.118 122.630 119.300 0.353 0.000 2.637 56 C HA 0.185 4.645 4.460 -0.001 0.000 0.418 56 C C 2.000 177.051 174.990 0.102 0.000 1.319 56 C CA 0.149 59.333 59.018 0.276 0.000 1.949 56 C CB 0.053 27.895 27.740 0.170 0.000 2.639 56 C HN 1.025 nan 8.230 nan 0.000 0.594 57 S N 3.536 119.246 115.700 0.016 0.000 2.461 57 S HA 0.080 4.550 4.470 -0.001 0.000 0.228 57 S C 1.233 175.816 174.600 -0.029 0.000 1.005 57 S CA 0.568 58.766 58.200 -0.002 0.000 0.942 57 S CB -0.364 62.815 63.200 -0.034 0.000 0.776 57 S HN 1.134 nan 8.310 nan 0.000 0.514 58 G N 3.531 112.290 108.800 -0.068 0.000 2.257 58 G HA2 0.198 4.157 3.960 -0.001 0.000 0.235 58 G HA3 0.198 4.157 3.960 -0.001 0.000 0.235 58 G C -2.801 172.103 174.900 0.006 0.000 1.225 58 G CA -0.686 44.382 45.100 -0.052 0.000 0.878 58 G HN 0.140 nan 8.290 nan 0.000 0.505 59 P HA 0.131 nan 4.420 nan 0.000 0.268 59 P C -0.001 177.393 177.300 0.157 0.000 1.204 59 P CA 0.303 63.440 63.100 0.062 0.000 0.768 59 P CB 0.343 32.036 31.700 -0.012 0.000 0.842 60 H N -1.039 118.027 119.070 -0.007 0.000 2.791 60 H HA -0.188 4.368 4.556 -0.000 0.000 0.302 60 H C 0.971 176.299 175.328 -0.000 0.000 1.198 60 H CA 0.362 56.407 56.048 -0.005 0.000 1.145 60 H CB -1.632 28.127 29.762 -0.006 0.000 1.385 60 H HN 0.487 nan 8.280 nan 0.000 0.409 61 C N -0.504 118.844 119.300 0.081 0.000 2.877 61 C HA 0.202 4.661 4.460 -0.001 0.000 0.273 61 C C 1.480 176.494 174.990 0.039 0.000 1.717 61 C CA 0.911 59.962 59.018 0.054 0.000 1.786 61 C CB -0.050 27.717 27.740 0.045 0.000 1.687 61 C HN 0.826 nan 8.230 nan 0.000 0.748 62 K N 0.392 120.821 120.400 0.047 0.000 3.407 62 K HA -0.167 4.153 4.320 -0.001 0.000 0.312 62 K C 0.223 176.860 176.600 0.061 0.000 1.302 62 K CA 0.543 56.856 56.287 0.044 0.000 0.931 62 K CB -1.833 30.673 32.500 0.010 0.000 1.257 62 K HN 0.543 nan 8.250 nan 0.000 0.454 63 S N 0.430 116.183 115.700 0.089 0.000 2.592 63 S HA 0.515 4.984 4.470 -0.001 0.000 0.271 63 S C 0.252 174.936 174.600 0.140 0.000 1.326 63 S CA -0.719 57.544 58.200 0.105 0.000 1.024 63 S CB 0.660 63.928 63.200 0.114 0.000 0.921 63 S HN 0.255 nan 8.310 nan 0.000 0.527 64 I N 3.741 124.367 120.570 0.092 0.000 2.437 64 I HA 0.304 4.474 4.170 -0.001 0.000 0.298 64 I C 0.091 176.193 176.117 -0.025 0.000 0.984 64 I CA -0.943 60.373 61.300 0.026 0.000 1.214 64 I CB 1.433 39.414 38.000 -0.032 0.000 1.365 64 I HN 0.588 nan 8.210 nan 0.000 0.469 65 L N 6.655 127.716 121.223 -0.270 0.000 2.605 65 L HA -0.027 4.313 4.340 -0.001 0.000 0.296 65 L C -0.241 176.503 176.870 -0.209 0.000 1.255 65 L CA 0.984 55.487 54.840 -0.562 0.000 0.879 65 L CB -0.239 41.301 42.059 -0.866 0.000 1.124 65 L HN 0.953 nan 8.230 nan 0.000 0.507 66 N N 1.337 119.940 118.700 -0.161 0.000 3.116 66 N HA 0.516 5.255 4.740 -0.001 0.000 0.244 66 N C -2.694 172.746 175.510 -0.116 0.000 1.485 66 N CA -1.197 51.809 53.050 -0.073 0.000 0.884 66 N CB 1.013 39.525 38.487 0.041 0.000 1.415 66 N HN 0.152 nan 8.380 nan 0.000 0.524 67 P HA -0.071 nan 4.420 nan 0.000 0.221 67 P C -0.066 177.012 177.300 -0.370 0.000 1.145 67 P CA 1.245 64.155 63.100 -0.317 0.000 0.795 67 P CB -0.117 31.316 31.700 -0.445 0.000 0.775 68 Y N -2.561 117.728 120.300 -0.018 0.000 2.461 68 Y HA 0.099 4.648 4.550 -0.001 0.000 0.277 68 Y C 1.122 176.956 175.900 -0.110 0.000 1.182 68 Y CA -0.730 57.346 58.100 -0.039 0.000 1.276 68 Y CB -0.504 37.941 38.460 -0.025 0.000 1.087 68 Y HN -0.114 nan 8.280 nan 0.000 0.519 69 C N 0.695 120.021 119.300 0.044 0.000 2.539 69 C HA 0.293 4.753 4.460 -0.001 0.000 0.392 69 C C 0.828 175.874 174.990 0.094 0.000 1.269 69 C CA -1.120 57.963 59.018 0.107 0.000 2.250 69 C CB 0.603 28.481 27.740 0.231 0.000 2.584 69 C HN 0.029 nan 8.230 nan 0.000 0.589 70 V N 5.329 125.307 119.914 0.107 0.000 2.338 70 V HA 0.131 4.250 4.120 -0.001 0.000 0.255 70 V C 0.288 176.449 176.094 0.113 0.000 1.082 70 V CA 0.120 62.468 62.300 0.081 0.000 0.951 70 V CB -0.500 31.352 31.823 0.048 0.000 1.102 70 V HN 0.553 nan 8.190 nan 0.000 0.489 71 I N 4.031 124.656 120.570 0.090 0.000 2.379 71 I HA 0.226 4.395 4.170 -0.001 0.000 0.290 71 I C 0.463 176.624 176.117 0.074 0.000 1.063 71 I CA 0.164 61.522 61.300 0.096 0.000 1.351 71 I CB 0.790 38.813 38.000 0.039 0.000 1.410 71 I HN 0.532 nan 8.210 nan 0.000 0.505 72 D N 9.597 130.052 120.400 0.091 0.000 2.485 72 D HA 0.280 4.919 4.640 -0.001 0.000 0.229 72 D C -1.884 174.458 176.300 0.070 0.000 1.101 72 D CA -1.841 52.199 54.000 0.066 0.000 0.906 72 D CB 1.980 42.814 40.800 0.058 0.000 1.019 72 D HN 0.159 nan 8.370 nan 0.000 0.516 73 P HA -0.156 nan 4.420 nan 0.000 0.215 73 P C 1.431 178.761 177.300 0.049 0.000 1.157 73 P CA 1.379 64.510 63.100 0.051 0.000 0.863 73 P CB 0.204 31.925 31.700 0.035 0.000 0.787 74 R N -0.013 120.511 120.500 0.040 0.000 2.097 74 R HA -0.187 4.153 4.340 -0.001 0.000 0.236 74 R C 1.900 178.226 176.300 0.042 0.000 1.135 74 R CA 2.297 58.418 56.100 0.035 0.000 0.934 74 R CB -1.769 28.548 30.300 0.028 0.000 0.846 74 R HN 0.099 nan 8.270 nan 0.000 0.431 75 N N 1.166 119.894 118.700 0.048 0.000 2.461 75 N HA -0.085 4.655 4.740 -0.001 0.000 0.188 75 N C -0.776 174.784 175.510 0.084 0.000 1.134 75 N CA 0.768 53.852 53.050 0.058 0.000 0.878 75 N CB 0.200 38.717 38.487 0.050 0.000 0.972 75 N HN 0.472 nan 8.380 nan 0.000 0.456 76 S N -1.255 114.497 115.700 0.086 0.000 3.242 76 S HA -0.225 4.245 4.470 -0.001 0.000 0.357 76 S C -0.229 174.468 174.600 0.162 0.000 0.897 76 S CA 0.528 58.797 58.200 0.115 0.000 1.349 76 S CB -2.099 61.163 63.200 0.102 0.000 0.981 76 S HN 0.365 nan 8.310 nan 0.000 0.558 77 S N 2.547 118.346 115.700 0.166 0.000 2.552 77 S HA 0.763 5.232 4.470 -0.001 0.000 0.272 77 S C -1.308 173.421 174.600 0.215 0.000 1.150 77 S CA -0.364 57.945 58.200 0.182 0.000 0.849 77 S CB 1.187 64.429 63.200 0.071 0.000 1.113 77 S HN 1.476 nan 8.310 nan 0.000 0.458 78 W N 1.779 123.082 121.300 0.004 0.000 2.736 78 W HA 0.772 5.432 4.660 0.000 0.000 0.335 78 W C -1.253 175.248 176.519 -0.029 0.000 1.059 78 W CA -0.997 56.339 57.345 -0.015 0.000 1.226 78 W CB 0.600 30.049 29.460 -0.018 0.000 1.416 78 W HN 0.535 nan 8.180 nan 0.000 0.505 79 S N 1.837 117.535 115.700 -0.002 0.000 2.489 79 S HA 0.290 4.759 4.470 -0.001 0.000 0.291 79 S C -0.410 174.142 174.600 -0.079 0.000 1.151 79 S CA -0.379 57.726 58.200 -0.158 0.000 1.082 79 S CB 1.405 64.563 63.200 -0.071 0.000 1.019 79 S HN 0.554 nan 8.310 nan 0.000 0.492 80 C N 5.912 125.073 119.300 -0.232 0.000 2.394 80 C HA 0.405 4.865 4.460 -0.001 0.000 0.362 80 C C -1.313 173.629 174.990 -0.080 0.000 1.268 80 C CA -1.937 57.031 59.018 -0.082 0.000 1.828 80 C CB -0.102 27.536 27.740 -0.171 0.000 2.442 80 C HN 0.678 nan 8.230 nan 0.000 0.549 81 P HA -0.120 nan 4.420 nan 0.000 0.215 81 P C 1.647 178.868 177.300 -0.131 0.000 1.157 81 P CA 1.357 64.228 63.100 -0.383 0.000 0.863 81 P CB 0.052 31.208 31.700 -0.907 0.000 0.787 82 I N 0.061 120.606 120.570 -0.043 0.000 2.045 82 I HA -0.227 3.942 4.170 -0.001 0.000 0.233 82 I C 2.518 178.661 176.117 0.042 0.000 1.048 82 I CA 2.025 63.351 61.300 0.045 0.000 1.313 82 I CB -1.939 36.095 38.000 0.057 0.000 1.043 82 I HN 0.158 nan 8.210 nan 0.000 0.393 83 C N 0.267 119.577 119.300 0.018 0.000 2.673 83 C HA 0.237 4.697 4.460 -0.001 0.000 0.264 83 C C 0.979 175.956 174.990 -0.021 0.000 1.304 83 C CA -0.298 58.724 59.018 0.007 0.000 1.727 83 C CB -1.217 26.525 27.740 0.003 0.000 1.932 83 C HN 0.684 nan 8.230 nan 0.000 0.563 84 N N 1.584 120.256 118.700 -0.046 0.000 2.753 84 N HA -0.149 4.591 4.740 -0.001 0.000 0.252 84 N C -0.360 175.088 175.510 -0.104 0.000 1.071 84 N CA 1.325 54.337 53.050 -0.064 0.000 0.690 84 N CB -1.289 37.187 38.487 -0.018 0.000 0.906 84 N HN 1.001 nan 8.380 nan 0.000 0.552 85 S N -0.706 114.888 115.700 -0.177 0.000 2.570 85 S HA 0.666 5.135 4.470 -0.001 0.000 0.286 85 S C -0.071 174.331 174.600 -0.329 0.000 1.099 85 S CA -0.991 57.082 58.200 -0.212 0.000 0.913 85 S CB 2.647 65.726 63.200 -0.201 0.000 1.085 85 S HN 0.247 nan 8.310 nan 0.000 0.480 86 R N 1.728 122.048 120.500 -0.299 0.000 2.308 86 R HA 0.460 4.799 4.340 -0.001 0.000 0.305 86 R C -0.527 175.476 176.300 -0.495 0.000 1.053 86 R CA -0.444 55.439 56.100 -0.363 0.000 0.957 86 R CB 0.482 30.643 30.300 -0.232 0.000 1.022 86 R HN 0.625 nan 8.270 nan 0.000 0.461 87 N N 1.385 119.662 118.700 -0.705 0.000 2.272 87 N HA 0.194 4.934 4.740 -0.001 0.000 0.305 87 N C -0.959 174.350 175.510 -0.337 0.000 1.103 87 N CA -0.724 51.926 53.050 -0.667 0.000 0.791 87 N CB 1.491 39.351 38.487 -1.045 0.000 1.356 87 N HN 0.411 nan 8.380 nan 0.000 0.486 88 H N 1.376 120.437 119.070 -0.015 0.000 3.082 88 H HA 0.040 4.596 4.556 -0.001 0.000 0.275 88 H C 0.210 175.696 175.328 0.263 0.000 1.032 88 H CA -0.253 55.852 56.048 0.095 0.000 1.477 88 H CB 0.370 30.175 29.762 0.071 0.000 1.520 88 H HN 0.330 nan 8.280 nan 0.000 0.521 89 L N 7.633 129.118 121.223 0.436 0.000 2.499 89 L HA 0.084 4.424 4.340 -0.001 0.000 0.273 89 L C -1.739 175.318 176.870 0.311 0.000 1.195 89 L CA -1.042 54.073 54.840 0.458 0.000 0.882 89 L CB 0.327 42.591 42.059 0.342 0.000 1.133 89 L HN 0.463 nan 8.230 nan 0.000 0.483 90 P HA 0.108 nan 4.420 nan 0.000 0.271 90 P C -2.328 174.996 177.300 0.039 0.000 1.233 90 P CA -1.123 62.052 63.100 0.126 0.000 0.789 90 P CB -0.066 31.667 31.700 0.055 0.000 0.951 91 P HA -0.225 nan 4.420 nan 0.000 0.217 91 P C 1.513 178.760 177.300 -0.088 0.000 1.158 91 P CA 1.971 65.041 63.100 -0.049 0.000 0.887 91 P CB -0.191 31.471 31.700 -0.064 0.000 0.792 92 Q N -2.614 117.060 119.800 -0.209 0.000 2.291 92 Q HA -0.120 4.220 4.340 -0.001 0.000 0.205 92 Q C 1.246 177.117 176.000 -0.216 0.000 0.970 92 Q CA 1.163 56.795 55.803 -0.285 0.000 0.876 92 Q CB -0.699 27.750 28.738 -0.483 0.000 0.935 92 Q HN 0.426 nan 8.270 nan 0.000 0.455 93 Y N -0.730 119.547 120.300 -0.039 0.000 2.457 93 Y HA 0.155 4.705 4.550 -0.001 0.000 0.263 93 Y C 1.046 176.944 175.900 -0.005 0.000 1.164 93 Y CA -0.118 57.963 58.100 -0.032 0.000 1.274 93 Y CB -0.064 38.372 38.460 -0.041 0.000 1.097 93 Y HN -0.052 nan 8.280 nan 0.000 0.523 94 T N 1.891 116.520 114.554 0.126 0.000 3.584 94 T HA -0.039 4.310 4.350 -0.001 0.000 0.252 94 T C 0.578 175.318 174.700 0.066 0.000 1.103 94 T CA 0.396 62.551 62.100 0.091 0.000 0.977 94 T CB -1.024 67.878 68.868 0.057 0.000 1.044 94 T HN 0.470 nan 8.240 nan 0.000 0.589 95 N N 0.804 119.549 118.700 0.075 0.000 2.622 95 N HA 0.074 4.813 4.740 -0.001 0.000 0.293 95 N C -0.649 174.890 175.510 0.049 0.000 1.788 95 N CA -0.357 52.723 53.050 0.050 0.000 0.860 95 N CB -0.032 38.476 38.487 0.035 0.000 1.388 95 N HN 0.294 nan 8.380 nan 0.000 0.496 96 L N 1.144 122.396 121.223 0.048 0.000 2.407 96 L HA 0.227 4.567 4.340 -0.001 0.000 0.282 96 L C 0.740 177.617 176.870 0.010 0.000 1.110 96 L CA 0.077 54.930 54.840 0.022 0.000 0.863 96 L CB 0.581 42.641 42.059 0.002 0.000 1.207 96 L HN 0.237 nan 8.230 nan 0.000 0.454 97 S N 1.901 117.604 115.700 0.005 0.000 2.739 97 S HA 0.251 4.721 4.470 -0.001 0.000 0.306 97 S C 0.773 175.368 174.600 -0.008 0.000 1.115 97 S CA -0.557 57.644 58.200 0.002 0.000 0.985 97 S CB 1.757 64.960 63.200 0.005 0.000 1.133 97 S HN 0.701 nan 8.310 nan 0.000 0.541 98 Q N 0.254 120.049 119.800 -0.008 0.000 2.224 98 Q HA -0.122 4.218 4.340 -0.001 0.000 0.203 98 Q C 1.630 177.621 176.000 -0.014 0.000 0.970 98 Q CA 1.701 57.495 55.803 -0.014 0.000 0.865 98 Q CB -0.066 28.666 28.738 -0.010 0.000 0.922 98 Q HN 0.867 nan 8.270 nan 0.000 0.445 99 E N -0.201 119.994 120.200 -0.008 0.000 2.276 99 E HA -0.026 4.324 4.350 -0.001 0.000 0.193 99 E C 0.903 177.501 176.600 -0.004 0.000 0.983 99 E CA 0.280 56.677 56.400 -0.006 0.000 0.861 99 E CB 0.122 29.820 29.700 -0.002 0.000 0.817 99 E HN 0.008 nan 8.360 nan 0.000 0.485 100 N N 1.174 119.873 118.700 -0.002 0.000 3.040 100 N HA 0.195 4.935 4.740 -0.001 0.000 0.305 100 N C -1.054 174.456 175.510 -0.001 0.000 1.611 100 N CA -0.134 52.919 53.050 0.006 0.000 1.049 100 N CB 0.376 38.872 38.487 0.016 0.000 1.342 100 N HN 0.135 nan 8.380 nan 0.000 0.497 101 M N 1.243 120.831 119.600 -0.020 0.000 2.277 101 M HA 0.398 4.878 4.480 -0.001 0.000 0.350 101 M C -2.118 174.148 176.300 -0.056 0.000 1.180 101 M CA -1.588 53.679 55.300 -0.056 0.000 1.103 101 M CB 1.337 33.896 32.600 -0.069 0.000 1.577 101 M HN 0.008 nan 8.290 nan 0.000 0.459 102 P HA 0.065 nan 4.420 nan 0.000 0.269 102 P C 0.561 177.831 177.300 -0.050 0.000 1.215 102 P CA -0.126 62.916 63.100 -0.096 0.000 0.780 102 P CB 0.576 31.964 31.700 -0.520 0.000 0.898 103 L N 1.686 122.941 121.223 0.054 0.000 2.043 103 L HA -0.230 4.109 4.340 -0.001 0.000 0.212 103 L C 2.191 179.017 176.870 -0.073 0.000 1.075 103 L CA 1.610 56.450 54.840 -0.001 0.000 0.752 103 L CB -0.676 41.397 42.059 0.023 0.000 0.891 103 L HN 0.549 nan 8.230 nan 0.000 0.432 104 E N 0.204 120.372 120.200 -0.053 0.000 2.472 104 E HA -0.192 4.158 4.350 -0.001 0.000 0.200 104 E C 1.775 178.302 176.600 -0.121 0.000 1.046 104 E CA 0.969 57.322 56.400 -0.079 0.000 0.871 104 E CB -0.212 29.521 29.700 0.055 0.000 0.806 104 E HN 0.567 nan 8.360 nan 0.000 0.533 105 L N 0.289 121.424 121.223 -0.147 0.000 2.640 105 L HA 0.110 4.450 4.340 -0.001 0.000 0.230 105 L C 1.775 178.562 176.870 -0.139 0.000 1.123 105 L CA 0.178 54.921 54.840 -0.162 0.000 0.900 105 L CB 0.119 42.067 42.059 -0.185 0.000 1.146 105 L HN 0.029 nan 8.230 nan 0.000 0.484 106 Q N -0.478 119.251 119.800 -0.118 0.000 2.282 106 Q HA 0.160 4.500 4.340 -0.001 0.000 0.206 106 Q C -0.017 175.919 176.000 -0.106 0.000 0.878 106 Q CA -0.002 55.740 55.803 -0.101 0.000 0.944 106 Q CB 0.893 29.584 28.738 -0.079 0.000 1.100 106 Q HN 0.345 nan 8.270 nan 0.000 0.509 107 S N -0.800 114.829 115.700 -0.119 0.000 2.533 107 S HA 0.216 4.686 4.470 -0.001 0.000 0.271 107 S C 0.477 175.015 174.600 -0.103 0.000 1.143 107 S CA -0.598 57.533 58.200 -0.115 0.000 0.891 107 S CB 1.409 64.530 63.200 -0.131 0.000 1.105 107 S HN 0.165 nan 8.310 nan 0.000 0.468 108 T N -1.305 113.207 114.554 -0.069 0.000 3.023 108 T HA 0.151 4.501 4.350 -0.001 0.000 0.266 108 T C 0.603 175.327 174.700 0.040 0.000 1.093 108 T CA 0.781 62.884 62.100 0.004 0.000 1.129 108 T CB -0.278 68.646 68.868 0.094 0.000 0.899 108 T HN 0.634 nan 8.240 nan 0.000 0.491 109 T N 1.661 116.194 114.554 -0.034 0.000 2.824 109 T HA 0.741 5.090 4.350 -0.001 0.000 0.282 109 T C -1.049 173.567 174.700 -0.140 0.000 0.993 109 T CA -0.635 61.437 62.100 -0.046 0.000 0.967 109 T CB 1.735 70.543 68.868 -0.100 0.000 0.960 109 T HN 0.394 nan 8.240 nan 0.000 0.441 110 I N 1.824 122.334 120.570 -0.099 0.000 3.093 110 I HA 0.554 4.724 4.170 -0.001 0.000 0.308 110 I C -1.653 174.362 176.117 -0.169 0.000 1.303 110 I CA -0.841 60.336 61.300 -0.204 0.000 0.975 110 I CB 2.520 40.328 38.000 -0.320 0.000 1.286 110 I HN 0.562 nan 8.210 nan 0.000 0.459 111 E N 3.522 123.575 120.200 -0.245 0.000 2.199 111 E HA 0.419 4.769 4.350 -0.001 0.000 0.265 111 E C -2.064 174.358 176.600 -0.297 0.000 0.882 111 E CA -0.533 55.787 56.400 -0.132 0.000 0.759 111 E CB 1.494 31.188 29.700 -0.011 0.000 1.148 111 E HN 0.447 nan 8.360 nan 0.000 0.412 112 Y N 3.284 123.520 120.300 -0.107 0.000 2.330 112 Y HA 0.353 4.902 4.550 -0.001 0.000 0.336 112 Y C 0.315 176.119 175.900 -0.159 0.000 1.036 112 Y CA -0.759 57.230 58.100 -0.185 0.000 1.125 112 Y CB 1.160 39.525 38.460 -0.158 0.000 1.194 112 Y HN 0.450 nan 8.280 nan 0.000 0.469 113 I N 3.632 124.178 120.570 -0.041 0.000 2.243 113 I HA 0.031 4.201 4.170 -0.001 0.000 0.297 113 I C 0.849 176.953 176.117 -0.022 0.000 1.161 113 I CA 0.021 61.281 61.300 -0.068 0.000 1.298 113 I CB 0.041 37.984 38.000 -0.095 0.000 1.475 113 I HN 0.714 nan 8.210 nan 0.000 0.561 114 T N 4.834 119.377 114.554 -0.017 0.000 2.885 114 T HA 0.058 4.407 4.350 -0.001 0.000 0.356 114 T C 0.936 175.623 174.700 -0.021 0.000 1.137 114 T CA -0.255 61.838 62.100 -0.011 0.000 1.014 114 T CB 0.393 69.245 68.868 -0.027 0.000 1.410 114 T HN 0.789 nan 8.240 nan 0.000 0.532 115 N N 0.609 119.300 118.700 -0.015 0.000 2.116 115 N HA -0.065 4.674 4.740 -0.001 0.000 0.207 115 N C -0.571 174.926 175.510 -0.021 0.000 1.370 115 N CA 0.645 53.688 53.050 -0.012 0.000 0.849 115 N CB 0.054 38.535 38.487 -0.009 0.000 0.996 115 N HN 0.616 nan 8.380 nan 0.000 0.421 116 K N -0.690 119.702 120.400 -0.013 0.000 2.507 116 K HA 0.375 4.695 4.320 -0.001 0.000 0.252 116 K C -2.708 173.890 176.600 -0.003 0.000 0.943 116 K CA -1.895 54.385 56.287 -0.012 0.000 0.808 116 K CB 1.869 34.365 32.500 -0.007 0.000 1.142 116 K HN 0.493 nan 8.250 nan 0.000 0.426 117 P HA -0.017 nan 4.420 nan 0.000 0.265 117 P C -0.349 176.957 177.300 0.009 0.000 1.193 117 P CA -0.270 62.832 63.100 0.004 0.000 0.765 117 P CB 0.591 32.294 31.700 0.006 0.000 0.823 118 V N 3.028 122.950 119.914 0.012 0.000 2.908 118 V HA 0.229 4.349 4.120 -0.001 0.000 0.369 118 V C 0.289 176.396 176.094 0.021 0.000 1.259 118 V CA 0.330 62.641 62.300 0.017 0.000 1.406 118 V CB -0.420 31.413 31.823 0.017 0.000 1.475 118 V HN 0.576 nan 8.190 nan 0.000 0.587 119 T N -0.485 114.079 114.554 0.017 0.000 2.889 119 T HA 0.454 4.804 4.350 -0.001 0.000 0.315 119 T C -0.200 174.496 174.700 -0.006 0.000 1.291 119 T CA -0.498 61.614 62.100 0.019 0.000 1.028 119 T CB 2.398 71.281 68.868 0.025 0.000 1.235 119 T HN -0.037 nan 8.240 nan 0.000 0.491 120 V N 3.692 123.601 119.914 -0.007 0.000 3.038 120 V HA -0.125 3.995 4.120 -0.001 0.000 0.230 120 V C -1.875 174.141 176.094 -0.129 0.000 1.973 120 V CA -0.063 62.190 62.300 -0.077 0.000 1.756 120 V CB -0.528 31.189 31.823 -0.177 0.000 0.916 120 V HN 0.762 nan 8.190 nan 0.000 0.515 121 P HA 0.299 nan 4.420 nan 0.000 0.279 121 P C -2.529 174.618 177.300 -0.255 0.000 1.282 121 P CA -1.363 61.669 63.100 -0.113 0.000 0.788 121 P CB -0.049 31.632 31.700 -0.032 0.000 1.139 122 P HA 0.158 nan 4.420 nan 0.000 0.271 122 P C -0.685 176.283 177.300 -0.553 0.000 1.216 122 P CA 0.608 63.366 63.100 -0.570 0.000 0.771 122 P CB 0.390 31.801 31.700 -0.481 0.000 0.864 123 I N 3.394 123.497 120.570 -0.778 0.000 2.354 123 I HA 0.300 4.469 4.170 -0.001 0.000 0.292 123 I C -0.019 175.642 176.117 -0.760 0.000 0.989 123 I CA -0.674 60.239 61.300 -0.644 0.000 1.188 123 I CB 0.619 38.164 38.000 -0.757 0.000 1.342 123 I HN 0.173 nan 8.210 nan 0.000 0.457 124 F N 6.379 126.284 119.950 -0.075 0.000 2.366 124 F HA 0.326 4.853 4.527 -0.001 0.000 0.366 124 F C -0.258 175.512 175.800 -0.050 0.000 1.096 124 F CA -0.493 57.451 58.000 -0.093 0.000 1.060 124 F CB 0.896 39.869 39.000 -0.044 0.000 1.282 124 F HN 0.283 nan 8.300 nan 0.000 0.450 125 F N 5.175 125.087 119.950 -0.064 0.000 2.335 125 F HA 0.419 4.946 4.527 -0.001 0.000 0.365 125 F C -0.803 175.044 175.800 0.079 0.000 1.122 125 F CA -2.049 56.029 58.000 0.129 0.000 1.151 125 F CB -0.215 38.865 39.000 0.134 0.000 1.282 125 F HN 0.148 nan 8.300 nan 0.000 0.513 126 F N 4.679 125.058 119.950 0.715 0.000 2.424 126 F HA 0.385 4.912 4.527 -0.001 0.000 0.356 126 F C 0.109 176.172 175.800 0.438 0.000 1.110 126 F CA -0.603 57.727 58.000 0.551 0.000 1.161 126 F CB 0.819 40.099 39.000 0.466 0.000 1.115 126 F HN -0.039 nan 8.300 nan 0.000 0.507 127 V N 5.324 125.533 119.914 0.492 0.000 2.304 127 V HA 0.323 4.443 4.120 -0.001 0.000 0.278 127 V C -0.283 176.125 176.094 0.523 0.000 1.018 127 V CA -0.720 61.787 62.300 0.345 0.000 0.814 127 V CB 1.111 32.976 31.823 0.069 0.000 1.021 127 V HN 0.494 nan 8.190 nan 0.000 0.440 128 V N 3.235 123.441 119.914 0.487 0.000 2.539 128 V HA 0.403 4.522 4.120 -0.001 0.000 0.292 128 V C -0.122 176.106 176.094 0.223 0.000 1.045 128 V CA -0.497 62.020 62.300 0.362 0.000 0.945 128 V CB 2.097 33.992 31.823 0.122 0.000 0.993 128 V HN 0.884 nan 8.190 nan 0.000 0.464 129 D N 3.420 123.849 120.400 0.048 0.000 2.359 129 D HA 0.291 4.931 4.640 -0.001 0.000 0.230 129 D C 0.609 176.753 176.300 -0.260 0.000 1.118 129 D CA -0.159 53.546 54.000 -0.490 0.000 0.844 129 D CB 1.259 41.926 40.800 -0.221 0.000 1.059 129 D HN 0.420 nan 8.370 nan 0.000 0.493 130 L N 2.763 123.805 121.223 -0.302 0.000 2.599 130 L HA 0.033 4.372 4.340 -0.001 0.000 0.230 130 L C 1.578 178.404 176.870 -0.072 0.000 1.141 130 L CA 0.555 55.322 54.840 -0.122 0.000 0.877 130 L CB -0.271 41.753 42.059 -0.058 0.000 1.009 130 L HN 0.508 nan 8.230 nan 0.000 0.447 131 T N -2.844 111.653 114.554 -0.095 0.000 3.418 131 T HA 0.184 4.534 4.350 -0.001 0.000 0.239 131 T C 0.486 175.187 174.700 0.001 0.000 0.905 131 T CA -0.387 61.699 62.100 -0.023 0.000 0.929 131 T CB -0.462 68.400 68.868 -0.011 0.000 1.121 131 T HN 0.216 nan 8.240 nan 0.000 0.608 132 S N -0.245 115.459 115.700 0.007 0.000 2.677 132 S HA 0.672 5.142 4.470 -0.001 0.000 0.304 132 S C -0.694 173.919 174.600 0.022 0.000 1.108 132 S CA -1.176 57.040 58.200 0.027 0.000 0.944 132 S CB 1.338 64.577 63.200 0.064 0.000 1.127 132 S HN 0.383 nan 8.310 nan 0.000 0.511 133 E N 0.882 121.097 120.200 0.026 0.000 2.390 133 E HA 0.291 4.641 4.350 -0.001 0.000 0.261 133 E C 0.961 177.571 176.600 0.016 0.000 1.076 133 E CA -0.015 56.397 56.400 0.020 0.000 0.905 133 E CB 0.139 29.854 29.700 0.025 0.000 0.984 133 E HN 0.625 nan 8.360 nan 0.000 0.427 134 T N 1.665 116.223 114.554 0.006 0.000 2.565 134 T HA -0.289 4.061 4.350 -0.001 0.000 0.265 134 T C 1.375 176.077 174.700 0.002 0.000 1.082 134 T CA 1.915 64.013 62.100 -0.003 0.000 1.173 134 T CB -0.285 68.580 68.868 -0.006 0.000 0.864 134 T HN 0.527 nan 8.240 nan 0.000 0.425 135 E N 0.463 120.669 120.200 0.011 0.000 2.065 135 E HA -0.250 4.100 4.350 -0.001 0.000 0.201 135 E C 2.362 178.980 176.600 0.029 0.000 1.016 135 E CA 1.513 57.924 56.400 0.018 0.000 0.818 135 E CB -0.236 29.478 29.700 0.024 0.000 0.749 135 E HN 0.336 nan 8.360 nan 0.000 0.453 136 N N 0.589 119.313 118.700 0.041 0.000 2.058 136 N HA -0.169 4.570 4.740 -0.001 0.000 0.191 136 N C 1.750 177.320 175.510 0.098 0.000 1.037 136 N CA 0.862 53.958 53.050 0.076 0.000 0.848 136 N CB -0.241 38.279 38.487 0.056 0.000 1.021 136 N HN 0.069 nan 8.380 nan 0.000 0.422 137 L N 0.548 121.799 121.223 0.047 0.000 2.275 137 L HA -0.048 4.291 4.340 -0.001 0.000 0.215 137 L C 1.337 178.164 176.870 -0.072 0.000 1.119 137 L CA 1.672 56.499 54.840 -0.021 0.000 0.790 137 L CB -0.619 41.421 42.059 -0.031 0.000 0.919 137 L HN 0.183 nan 8.230 nan 0.000 0.443 138 D N -0.954 119.423 120.400 -0.040 0.000 2.103 138 D HA -0.113 4.527 4.640 -0.001 0.000 0.199 138 D C 2.228 178.495 176.300 -0.055 0.000 0.978 138 D CA 1.619 55.587 54.000 -0.053 0.000 0.829 138 D CB 0.072 40.853 40.800 -0.031 0.000 0.981 138 D HN 0.532 nan 8.370 nan 0.000 0.464 139 S N 0.478 116.170 115.700 -0.014 0.000 2.474 139 S HA -0.099 4.370 4.470 -0.001 0.000 0.235 139 S C 1.907 176.505 174.600 -0.005 0.000 0.997 139 S CA 0.275 58.485 58.200 0.016 0.000 0.949 139 S CB -0.125 63.119 63.200 0.073 0.000 0.766 139 S HN 0.144 nan 8.310 nan 0.000 0.517 140 L N 1.290 122.442 121.223 -0.118 0.000 2.127 140 L HA 0.302 4.642 4.340 -0.001 0.000 0.203 140 L C 2.105 178.754 176.870 -0.369 0.000 1.080 140 L CA 1.525 56.146 54.840 -0.364 0.000 0.768 140 L CB -0.684 40.914 42.059 -0.769 0.000 0.924 140 L HN 0.065 nan 8.230 nan 0.000 0.444 141 K N -0.226 120.005 120.400 -0.283 0.000 2.097 141 K HA -0.228 4.091 4.320 -0.001 0.000 0.206 141 K C 2.028 178.507 176.600 -0.201 0.000 1.049 141 K CA 1.708 57.839 56.287 -0.259 0.000 0.933 141 K CB -0.139 32.247 32.500 -0.190 0.000 0.717 141 K HN 0.492 nan 8.250 nan 0.000 0.442 142 E N 0.525 120.644 120.200 -0.135 0.000 2.031 142 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 142 E C 1.812 178.365 176.600 -0.079 0.000 0.994 142 E CA 1.480 57.827 56.400 -0.089 0.000 0.800 142 E CB 0.128 29.802 29.700 -0.043 0.000 0.752 142 E HN 0.118 nan 8.360 nan 0.000 0.447 143 S N 0.623 116.295 115.700 -0.047 0.000 2.348 143 S HA -0.152 4.318 4.470 -0.001 0.000 0.221 143 S C 1.996 176.613 174.600 0.029 0.000 1.033 143 S CA 1.272 59.491 58.200 0.032 0.000 1.010 143 S CB -0.309 62.972 63.200 0.135 0.000 0.891 143 S HN 0.306 nan 8.310 nan 0.000 0.442 144 I N 1.245 121.723 120.570 -0.154 0.000 2.194 144 I HA -0.232 3.938 4.170 -0.001 0.000 0.246 144 I C 2.070 178.043 176.117 -0.240 0.000 1.093 144 I CA 1.303 62.473 61.300 -0.218 0.000 1.355 144 I CB -0.483 37.191 38.000 -0.542 0.000 1.046 144 I HN 0.269 nan 8.210 nan 0.000 0.413 145 I N 0.301 120.737 120.570 -0.223 0.000 2.163 145 I HA -0.268 3.901 4.170 -0.001 0.000 0.240 145 I C 2.539 178.554 176.117 -0.169 0.000 1.081 145 I CA 1.621 62.801 61.300 -0.200 0.000 1.353 145 I CB -0.546 37.356 38.000 -0.164 0.000 1.054 145 I HN 0.199 nan 8.210 nan 0.000 0.407 146 T N 0.342 114.815 114.554 -0.135 0.000 2.803 146 T HA -0.180 4.170 4.350 -0.001 0.000 0.269 146 T C 2.040 176.615 174.700 -0.210 0.000 1.052 146 T CA 1.782 63.802 62.100 -0.132 0.000 1.136 146 T CB -0.322 68.493 68.868 -0.089 0.000 0.864 146 T HN 0.558 nan 8.240 nan 0.000 0.467 147 S N 1.873 117.407 115.700 -0.278 0.000 2.371 147 S HA 0.024 4.493 4.470 -0.001 0.000 0.224 147 S C 2.076 176.360 174.600 -0.527 0.000 1.029 147 S CA 0.602 58.447 58.200 -0.592 0.000 0.978 147 S CB -0.874 61.806 63.200 -0.866 0.000 0.833 147 S HN 0.438 nan 8.310 nan 0.000 0.466 148 L N 2.482 123.502 121.223 -0.338 0.000 2.137 148 L HA -0.133 4.206 4.340 -0.001 0.000 0.213 148 L C 2.725 179.486 176.870 -0.182 0.000 1.085 148 L CA 1.560 56.261 54.840 -0.232 0.000 0.760 148 L CB -0.910 41.041 42.059 -0.180 0.000 0.893 148 L HN 0.602 nan 8.230 nan 0.000 0.434 149 S N -1.287 114.308 115.700 -0.175 0.000 2.650 149 S HA 0.121 4.591 4.470 -0.001 0.000 0.219 149 S C 1.327 175.851 174.600 -0.127 0.000 0.960 149 S CA 0.061 58.188 58.200 -0.121 0.000 0.925 149 S CB -0.127 63.015 63.200 -0.097 0.000 0.775 149 S HN 0.425 nan 8.310 nan 0.000 0.525 150 L N 0.115 121.224 121.223 -0.191 0.000 2.766 150 L HA 0.474 4.813 4.340 -0.001 0.000 0.242 150 L C 0.055 176.861 176.870 -0.108 0.000 1.136 150 L CA -0.054 54.694 54.840 -0.153 0.000 0.933 150 L CB 0.165 42.095 42.059 -0.215 0.000 1.241 150 L HN 0.248 nan 8.230 nan 0.000 0.522 151 L N 0.574 121.714 121.223 -0.138 0.000 2.360 151 L HA 0.392 4.732 4.340 -0.001 0.000 0.271 151 L C -2.092 174.790 176.870 0.020 0.000 1.057 151 L CA -1.918 52.881 54.840 -0.068 0.000 0.803 151 L CB 0.672 42.637 42.059 -0.156 0.000 1.207 151 L HN -0.255 nan 8.230 nan 0.000 0.445 152 P HA 0.056 nan 4.420 nan 0.000 0.263 152 P C -2.115 175.239 177.300 0.091 0.000 1.195 152 P CA -0.824 62.340 63.100 0.107 0.000 0.762 152 P CB 0.206 32.015 31.700 0.181 0.000 0.799 153 P HA -0.177 nan 4.420 nan 0.000 0.222 153 P C 0.680 178.022 177.300 0.071 0.000 1.142 153 P CA 1.316 64.447 63.100 0.053 0.000 0.788 153 P CB -0.222 31.498 31.700 0.033 0.000 0.767 154 N N -1.367 117.383 118.700 0.084 0.000 2.276 154 N HA 0.134 4.873 4.740 -0.001 0.000 0.212 154 N C 0.030 175.598 175.510 0.096 0.000 1.127 154 N CA -0.225 52.874 53.050 0.081 0.000 0.834 154 N CB -0.070 38.461 38.487 0.073 0.000 1.014 154 N HN -0.097 nan 8.380 nan 0.000 0.491 155 A N 1.266 124.170 122.820 0.140 0.000 2.366 155 A HA 0.446 4.766 4.320 -0.001 0.000 0.272 155 A C 0.425 178.115 177.584 0.178 0.000 1.135 155 A CA -0.620 51.533 52.037 0.193 0.000 0.804 155 A CB 0.306 19.524 19.000 0.363 0.000 1.064 155 A HN 0.355 nan 8.150 nan 0.000 0.499 156 L N 3.851 125.132 121.223 0.096 0.000 2.418 156 L HA 0.152 4.491 4.340 -0.001 0.000 0.274 156 L C -0.266 176.732 176.870 0.214 0.000 1.135 156 L CA -0.271 54.626 54.840 0.096 0.000 0.870 156 L CB -0.009 42.008 42.059 -0.070 0.000 1.154 156 L HN 0.484 nan 8.230 nan 0.000 0.462 157 I N 2.348 123.088 120.570 0.285 0.000 2.577 157 I HA 0.628 4.797 4.170 -0.001 0.000 0.305 157 I C 0.628 176.983 176.117 0.396 0.000 0.986 157 I CA -0.401 61.137 61.300 0.396 0.000 1.189 157 I CB 1.553 39.769 38.000 0.359 0.000 1.355 157 I HN 0.564 nan 8.210 nan 0.000 0.476 158 G N 4.206 113.284 108.800 0.464 0.000 2.667 158 G HA2 0.653 4.613 3.960 -0.001 0.000 0.298 158 G HA3 0.653 4.613 3.960 -0.001 0.000 0.298 158 G C -2.136 173.083 174.900 0.532 0.000 1.377 158 G CA -0.364 44.900 45.100 0.275 0.000 0.964 158 G HN 0.403 nan 8.290 nan 0.000 0.493 159 L N 1.491 122.986 121.223 0.454 0.000 2.438 159 L HA 0.792 5.131 4.340 -0.001 0.000 0.270 159 L C -1.208 176.020 176.870 0.596 0.000 0.972 159 L CA -0.750 54.426 54.840 0.561 0.000 0.831 159 L CB 1.706 43.980 42.059 0.359 0.000 1.273 159 L HN 0.500 nan 8.230 nan 0.000 0.405 160 I N 3.531 124.436 120.570 0.557 0.000 2.569 160 I HA 0.531 4.701 4.170 -0.001 0.000 0.290 160 I C -0.634 175.713 176.117 0.384 0.000 1.088 160 I CA -0.420 61.108 61.300 0.380 0.000 1.047 160 I CB 2.637 40.774 38.000 0.227 0.000 1.237 160 I HN 0.719 nan 8.210 nan 0.000 0.421 161 T N 2.598 117.350 114.554 0.330 0.000 2.887 161 T HA 0.774 5.123 4.350 -0.001 0.000 0.288 161 T C -0.858 174.033 174.700 0.318 0.000 1.021 161 T CA -0.737 61.550 62.100 0.310 0.000 1.000 161 T CB 1.944 70.995 68.868 0.305 0.000 1.034 161 T HN 0.575 nan 8.240 nan 0.000 0.467 162 Y N -0.971 119.409 120.300 0.133 0.000 2.689 162 Y HA 0.842 5.392 4.550 -0.001 0.000 0.333 162 Y C 0.089 176.065 175.900 0.126 0.000 1.208 162 Y CA -0.604 57.568 58.100 0.121 0.000 1.055 162 Y CB 1.143 39.665 38.460 0.103 0.000 1.304 162 Y HN 1.021 nan 8.280 nan 0.000 0.455 163 G N 0.867 109.738 108.800 0.118 0.000 3.141 163 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.140 163 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.140 163 G C -0.029 174.954 174.900 0.138 0.000 1.162 163 G CA 0.195 45.323 45.100 0.047 0.000 1.485 163 G HN 0.607 nan 8.290 nan 0.000 0.713 164 N N 0.378 119.130 118.700 0.086 0.000 2.106 164 N HA -0.029 4.710 4.740 -0.001 0.000 0.188 164 N C 1.033 176.529 175.510 -0.023 0.000 1.029 164 N CA 2.074 55.046 53.050 -0.130 0.000 0.848 164 N CB 0.063 38.137 38.487 -0.689 0.000 1.007 164 N HN 0.623 nan 8.380 nan 0.000 0.423 165 V N -1.525 118.457 119.914 0.113 0.000 3.074 165 V HA 0.621 4.741 4.120 -0.001 0.000 0.314 165 V C -0.039 176.189 176.094 0.223 0.000 1.117 165 V CA -1.126 61.266 62.300 0.153 0.000 1.014 165 V CB 1.576 33.490 31.823 0.151 0.000 1.057 165 V HN -0.075 nan 8.190 nan 0.000 0.438 166 V N 0.773 120.822 119.914 0.225 0.000 2.427 166 V HA 0.700 4.819 4.120 -0.001 0.000 0.286 166 V C -0.519 175.696 176.094 0.202 0.000 1.034 166 V CA -0.263 62.175 62.300 0.231 0.000 0.893 166 V CB 0.952 32.867 31.823 0.153 0.000 0.982 166 V HN 1.051 nan 8.190 nan 0.000 0.452 167 Q N 4.860 124.737 119.800 0.129 0.000 2.357 167 Q HA 0.557 4.897 4.340 -0.001 0.000 0.266 167 Q C -0.964 174.956 176.000 -0.133 0.000 1.021 167 Q CA -0.688 55.101 55.803 -0.022 0.000 0.784 167 Q CB 2.327 30.991 28.738 -0.123 0.000 1.243 167 Q HN 0.851 nan 8.270 nan 0.000 0.465 168 L N 3.827 125.006 121.223 -0.073 0.000 2.278 168 L HA 0.240 4.579 4.340 -0.001 0.000 0.287 168 L C -0.571 176.204 176.870 -0.158 0.000 1.072 168 L CA -0.035 54.739 54.840 -0.109 0.000 0.819 168 L CB 0.071 41.998 42.059 -0.219 0.000 1.176 168 L HN 0.582 nan 8.230 nan 0.000 0.435 169 H N 3.241 122.376 119.070 0.108 0.000 2.629 169 H HA 0.203 4.758 4.556 -0.001 0.000 0.357 169 H C -0.822 174.644 175.328 0.230 0.000 1.121 169 H CA -0.065 56.067 56.048 0.139 0.000 1.406 169 H CB 1.279 31.112 29.762 0.119 0.000 1.456 169 H HN 0.574 nan 8.280 nan 0.000 0.579 170 D N 3.222 123.823 120.400 0.335 0.000 2.461 170 D HA 0.107 4.746 4.640 -0.001 0.000 0.240 170 D C 0.614 176.992 176.300 0.131 0.000 1.094 170 D CA -0.410 53.745 54.000 0.258 0.000 0.868 170 D CB 0.660 41.586 40.800 0.209 0.000 1.062 170 D HN 0.442 nan 8.370 nan 0.000 0.530 171 L N 2.424 123.703 121.223 0.093 0.000 2.558 171 L HA -0.019 4.321 4.340 -0.001 0.000 0.225 171 L C 2.231 179.112 176.870 0.018 0.000 1.128 171 L CA 0.232 55.104 54.840 0.053 0.000 0.868 171 L CB -0.093 42.001 42.059 0.058 0.000 1.006 171 L HN 0.302 nan 8.230 nan 0.000 0.454 172 S N -1.236 114.454 115.700 -0.017 0.000 2.561 172 S HA -0.025 4.445 4.470 -0.001 0.000 0.225 172 S C 1.025 175.603 174.600 -0.037 0.000 0.977 172 S CA -0.013 58.161 58.200 -0.042 0.000 0.926 172 S CB -0.419 62.722 63.200 -0.098 0.000 0.769 172 S HN 0.392 nan 8.310 nan 0.000 0.533 173 S N 0.247 115.936 115.700 -0.019 0.000 2.475 173 S HA 0.456 4.925 4.470 -0.001 0.000 0.281 173 S C 0.311 174.912 174.600 0.002 0.000 1.198 173 S CA -0.769 57.422 58.200 -0.015 0.000 1.063 173 S CB 1.669 64.866 63.200 -0.005 0.000 0.972 173 S HN 0.368 nan 8.310 nan 0.000 0.486 174 E N 2.376 122.576 120.200 -0.001 0.000 2.340 174 E HA -0.021 4.328 4.350 -0.001 0.000 0.198 174 E C 1.101 177.708 176.600 0.011 0.000 0.961 174 E CA 0.449 56.856 56.400 0.011 0.000 0.905 174 E CB 0.027 29.734 29.700 0.011 0.000 0.884 174 E HN 0.831 nan 8.360 nan 0.000 0.491 175 T N 1.358 115.913 114.554 0.002 0.000 2.607 175 T HA -0.113 4.237 4.350 -0.001 0.000 0.267 175 T C 1.161 175.864 174.700 0.006 0.000 1.049 175 T CA 1.356 63.457 62.100 0.002 0.000 1.162 175 T CB 0.147 69.012 68.868 -0.005 0.000 0.863 175 T HN 0.167 nan 8.240 nan 0.000 0.424 176 I N 1.464 122.039 120.570 0.008 0.000 2.692 176 I HA 0.270 4.439 4.170 -0.001 0.000 0.293 176 I C -1.684 174.444 176.117 0.018 0.000 1.200 176 I CA -1.256 60.050 61.300 0.011 0.000 1.036 176 I CB 2.192 40.197 38.000 0.009 0.000 1.258 176 I HN 0.161 nan 8.210 nan 0.000 0.421 177 D N 6.968 127.380 120.400 0.021 0.000 2.338 177 D HA 0.293 4.933 4.640 -0.001 0.000 0.255 177 D C -0.125 176.211 176.300 0.061 0.000 1.237 177 D CA -0.385 53.637 54.000 0.036 0.000 0.883 177 D CB 0.676 41.486 40.800 0.017 0.000 1.087 177 D HN 0.533 nan 8.370 nan 0.000 0.485 178 R N 1.549 122.097 120.500 0.080 0.000 2.981 178 R HA 0.850 5.190 4.340 -0.001 0.000 0.228 178 R C -0.778 175.604 176.300 0.136 0.000 1.421 178 R CA -1.037 55.115 56.100 0.087 0.000 1.073 178 R CB 1.012 31.346 30.300 0.057 0.000 1.568 178 R HN 0.727 nan 8.270 nan 0.000 0.514 179 C N -1.704 117.646 119.300 0.082 0.000 3.259 179 C HA 0.408 4.867 4.460 -0.001 0.000 0.431 179 C C -1.348 173.626 174.990 -0.028 0.000 0.967 179 C CA -1.141 57.895 59.018 0.030 0.000 1.175 179 C CB 0.577 28.237 27.740 -0.134 0.000 1.566 179 C HN 0.935 nan 8.230 nan 0.000 0.615 180 N N 1.408 120.091 118.700 -0.028 0.000 2.488 180 N HA 0.477 5.217 4.740 -0.001 0.000 0.274 180 N C -0.356 174.993 175.510 -0.268 0.000 1.111 180 N CA -0.138 52.819 53.050 -0.156 0.000 0.974 180 N CB 1.750 40.165 38.487 -0.121 0.000 1.089 180 N HN 0.640 nan 8.380 nan 0.000 0.465 181 V N 3.459 123.134 119.914 -0.399 0.000 2.532 181 V HA 0.523 4.642 4.120 -0.001 0.000 0.295 181 V C -0.441 175.282 176.094 -0.619 0.000 1.041 181 V CA -0.465 61.655 62.300 -0.299 0.000 0.926 181 V CB 0.664 32.419 31.823 -0.112 0.000 0.992 181 V HN 0.448 nan 8.190 nan 0.000 0.457 182 F N 1.488 121.404 119.950 -0.057 0.000 2.603 182 F HA 0.602 5.128 4.527 -0.001 0.000 0.317 182 F C 0.492 176.359 175.800 0.113 0.000 1.066 182 F CA -1.102 56.863 58.000 -0.058 0.000 0.941 182 F CB 1.495 40.291 39.000 -0.339 0.000 1.291 182 F HN 0.214 nan 8.300 nan 0.000 0.472 183 R N 0.351 121.143 120.500 0.486 0.000 2.370 183 R HA 0.210 4.549 4.340 -0.001 0.000 0.309 183 R C 1.079 177.536 176.300 0.262 0.000 1.059 183 R CA 0.184 56.463 56.100 0.298 0.000 0.981 183 R CB 0.593 31.016 30.300 0.205 0.000 0.972 183 R HN 1.001 nan 8.270 nan 0.000 0.437 184 G N 1.934 110.813 108.800 0.133 0.000 2.776 184 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.209 184 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.209 184 G C 0.464 175.373 174.900 0.015 0.000 1.145 184 G CA 0.389 45.544 45.100 0.091 0.000 0.791 184 G HN 0.737 nan 8.290 nan 0.000 0.530 185 D N -1.711 118.682 120.400 -0.011 0.000 2.463 185 D HA 0.199 4.838 4.640 -0.001 0.000 0.224 185 D C 0.730 176.960 176.300 -0.117 0.000 1.174 185 D CA -0.587 53.368 54.000 -0.074 0.000 0.829 185 D CB 0.406 41.158 40.800 -0.079 0.000 0.993 185 D HN 0.204 nan 8.370 nan 0.000 0.497 186 R N 0.289 120.709 120.500 -0.133 0.000 2.744 186 R HA 0.305 4.644 4.340 -0.001 0.000 0.279 186 R C -1.274 174.867 176.300 -0.264 0.000 0.977 186 R CA -0.714 55.217 56.100 -0.281 0.000 0.906 186 R CB 1.534 31.518 30.300 -0.528 0.000 1.197 186 R HN 0.043 nan 8.270 nan 0.000 0.463 187 E N 3.721 123.773 120.200 -0.246 0.000 2.136 187 E HA 0.125 4.474 4.350 -0.001 0.000 0.246 187 E C -1.005 175.545 176.600 -0.083 0.000 1.017 187 E CA -0.456 55.882 56.400 -0.104 0.000 0.883 187 E CB 0.212 29.875 29.700 -0.061 0.000 1.199 187 E HN 0.429 nan 8.360 nan 0.000 0.447 188 Y N 1.348 121.650 120.300 0.004 0.000 2.652 188 Y HA -0.086 4.463 4.550 -0.001 0.000 0.344 188 Y C 1.017 176.922 175.900 0.008 0.000 1.254 188 Y CA 0.575 58.680 58.100 0.009 0.000 1.480 188 Y CB 0.495 38.944 38.460 -0.019 0.000 1.345 188 Y HN 0.349 nan 8.280 nan 0.000 0.617 189 Q N 2.175 122.082 119.800 0.179 0.000 2.342 189 Q HA 0.183 4.522 4.340 -0.001 0.000 0.267 189 Q C 0.616 176.677 176.000 0.102 0.000 1.038 189 Q CA -0.870 54.997 55.803 0.107 0.000 0.832 189 Q CB 2.359 31.140 28.738 0.071 0.000 1.323 189 Q HN 0.690 nan 8.270 nan 0.000 0.448 190 L N 2.572 123.838 121.223 0.072 0.000 2.040 190 L HA -0.360 3.980 4.340 -0.001 0.000 0.228 190 L C 2.150 179.062 176.870 0.069 0.000 1.092 190 L CA 2.459 57.336 54.840 0.062 0.000 0.805 190 L CB -0.442 41.648 42.059 0.051 0.000 0.905 190 L HN 0.902 nan 8.230 nan 0.000 0.443 191 E N -1.196 119.043 120.200 0.065 0.000 2.049 191 E HA -0.294 4.056 4.350 -0.001 0.000 0.198 191 E C 2.049 178.699 176.600 0.084 0.000 1.007 191 E CA 1.498 57.936 56.400 0.064 0.000 0.809 191 E CB -0.286 29.445 29.700 0.053 0.000 0.749 191 E HN 0.649 nan 8.360 nan 0.000 0.450 192 A N 0.831 123.715 122.820 0.106 0.000 1.883 192 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 192 A C 2.146 179.831 177.584 0.168 0.000 1.186 192 A CA 1.441 53.566 52.037 0.146 0.000 0.624 192 A CB -0.683 18.430 19.000 0.188 0.000 0.822 192 A HN 0.386 nan 8.150 nan 0.000 0.444 193 L N -0.348 120.962 121.223 0.146 0.000 2.141 193 L HA -0.074 4.265 4.340 -0.001 0.000 0.209 193 L C 2.446 179.377 176.870 0.103 0.000 1.094 193 L CA 2.584 57.475 54.840 0.085 0.000 0.763 193 L CB -0.842 41.196 42.059 -0.035 0.000 0.908 193 L HN 0.378 nan 8.230 nan 0.000 0.437 194 T N -0.540 114.071 114.554 0.096 0.000 2.737 194 T HA -0.148 4.201 4.350 -0.001 0.000 0.265 194 T C 1.652 176.419 174.700 0.111 0.000 1.038 194 T CA 1.625 63.785 62.100 0.100 0.000 1.144 194 T CB -0.172 68.743 68.868 0.077 0.000 0.866 194 T HN 0.455 nan 8.240 nan 0.000 0.434 195 E N 1.154 121.415 120.200 0.102 0.000 2.023 195 E HA -0.119 4.230 4.350 -0.001 0.000 0.196 195 E C 2.349 179.018 176.600 0.114 0.000 1.003 195 E CA 1.180 57.637 56.400 0.095 0.000 0.809 195 E CB -0.346 29.405 29.700 0.084 0.000 0.755 195 E HN 0.481 nan 8.360 nan 0.000 0.449 196 M N 0.586 120.268 119.600 0.135 0.000 2.108 196 M HA -0.203 4.277 4.480 -0.001 0.000 0.257 196 M C 2.283 178.677 176.300 0.157 0.000 1.071 196 M CA 1.470 56.853 55.300 0.139 0.000 1.093 196 M CB -0.366 32.341 32.600 0.178 0.000 1.345 196 M HN 0.110 nan 8.290 nan 0.000 0.403 197 L N -0.155 121.196 121.223 0.213 0.000 2.599 197 L HA 0.036 4.375 4.340 -0.001 0.000 0.230 197 L C 1.108 178.125 176.870 0.245 0.000 1.141 197 L CA 0.123 55.135 54.840 0.286 0.000 0.877 197 L CB -0.693 41.590 42.059 0.373 0.000 1.009 197 L HN 0.414 nan 8.230 nan 0.000 0.447 222 F N -0.807 119.103 119.950 -0.067 0.000 2.815 222 F HA 0.331 4.858 4.527 -0.001 0.000 0.328 222 F C 0.803 176.575 175.800 -0.048 0.000 0.982 222 F CA -0.423 57.552 58.000 -0.043 0.000 1.154 222 F CB -1.100 37.890 39.000 -0.017 0.000 0.980 222 F HN -0.208 nan 8.300 nan 0.000 0.603 223 S N 2.431 118.311 115.700 0.300 0.000 2.572 223 S HA 0.258 4.727 4.470 -0.001 0.000 0.279 223 S C 1.040 175.642 174.600 0.003 0.000 1.341 223 S CA -0.526 57.752 58.200 0.129 0.000 1.043 223 S CB 0.928 64.201 63.200 0.122 0.000 0.887 223 S HN 0.329 nan 8.310 nan 0.000 0.516 224 L N 1.250 122.508 121.223 0.058 0.000 2.265 224 L HA -0.099 4.241 4.340 -0.001 0.000 0.215 224 L C 1.694 178.606 176.870 0.070 0.000 1.117 224 L CA 0.725 55.647 54.840 0.137 0.000 0.782 224 L CB -0.697 41.479 42.059 0.194 0.000 0.914 224 L HN 0.695 nan 8.230 nan 0.000 0.441 225 N N 1.147 119.857 118.700 0.016 0.000 2.627 225 N HA -0.120 4.619 4.740 -0.001 0.000 0.196 225 N C 1.515 177.036 175.510 0.018 0.000 1.268 225 N CA 0.494 53.593 53.050 0.082 0.000 0.904 225 N CB -0.057 38.452 38.487 0.038 0.000 1.016 225 N HN 0.590 nan 8.380 nan 0.000 0.448 226 R N -0.827 119.531 120.500 -0.237 0.000 2.312 226 R HA 0.152 4.492 4.340 -0.001 0.000 0.205 226 R C 0.743 176.781 176.300 -0.436 0.000 0.904 226 R CA 0.125 56.018 56.100 -0.345 0.000 1.052 226 R CB -0.342 29.671 30.300 -0.478 0.000 1.014 226 R HN 0.014 nan 8.270 nan 0.000 0.503 227 F N 0.199 120.014 119.950 -0.225 0.000 2.765 227 F HA 0.336 4.862 4.527 -0.001 0.000 0.302 227 F C -0.115 175.261 175.800 -0.706 0.000 1.111 227 F CA -0.216 57.501 58.000 -0.471 0.000 1.359 227 F CB 0.442 39.041 39.000 -0.667 0.000 1.097 227 F HN -0.143 nan 8.300 nan 0.000 0.577 228 F N 1.553 121.572 119.950 0.115 0.000 2.500 228 F HA 0.521 5.048 4.527 -0.001 0.000 0.349 228 F C -0.470 175.370 175.800 0.067 0.000 1.127 228 F CA -0.819 57.221 58.000 0.067 0.000 0.998 228 F CB 1.032 40.098 39.000 0.109 0.000 1.237 228 F HN -0.340 nan 8.300 nan 0.000 0.439 229 L N 3.939 125.287 121.223 0.209 0.000 2.370 229 L HA 0.586 4.926 4.340 -0.001 0.000 0.266 229 L C -2.610 174.339 176.870 0.132 0.000 1.002 229 L CA -2.558 52.366 54.840 0.140 0.000 0.818 229 L CB 2.478 44.590 42.059 0.089 0.000 1.325 229 L HN 0.232 nan 8.230 nan 0.000 0.418 230 P HA -0.066 nan 4.420 nan 0.000 0.262 230 P C 0.468 177.825 177.300 0.095 0.000 1.182 230 P CA -0.130 63.026 63.100 0.093 0.000 0.761 230 P CB 0.565 32.308 31.700 0.072 0.000 0.795 231 L N 4.848 126.135 121.223 0.107 0.000 2.079 231 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 231 L C 1.906 178.816 176.870 0.067 0.000 1.081 231 L CA 1.929 56.825 54.840 0.093 0.000 0.752 231 L CB -1.005 41.110 42.059 0.092 0.000 0.896 231 L HN 0.406 nan 8.230 nan 0.000 0.433 232 E N -0.192 120.045 120.200 0.061 0.000 2.013 232 E HA -0.300 4.050 4.350 -0.001 0.000 0.202 232 E C 1.365 177.995 176.600 0.050 0.000 1.018 232 E CA 1.675 58.103 56.400 0.048 0.000 0.834 232 E CB -0.277 29.449 29.700 0.043 0.000 0.770 232 E HN 0.762 nan 8.360 nan 0.000 0.459 233 Q N 0.175 120.006 119.800 0.051 0.000 2.600 233 Q HA 0.096 4.435 4.340 -0.001 0.000 0.276 233 Q C 0.390 176.424 176.000 0.057 0.000 1.006 233 Q CA 0.086 55.918 55.803 0.048 0.000 0.942 233 Q CB 0.638 29.401 28.738 0.041 0.000 1.383 233 Q HN 0.049 nan 8.270 nan 0.000 0.414 234 V N -0.868 119.086 119.914 0.066 0.000 4.480 234 V HA -0.118 4.002 4.120 -0.001 0.000 0.385 234 V C 1.382 177.512 176.094 0.061 0.000 1.851 234 V CA 0.483 62.822 62.300 0.065 0.000 1.759 234 V CB 0.404 32.264 31.823 0.061 0.000 1.048 234 V HN 0.604 nan 8.190 nan 0.000 0.373 235 E N -0.022 120.219 120.200 0.068 0.000 2.209 235 E HA -0.259 4.090 4.350 -0.001 0.000 0.196 235 E C 1.771 178.415 176.600 0.074 0.000 0.993 235 E CA 2.099 58.531 56.400 0.053 0.000 0.819 235 E CB -0.010 29.721 29.700 0.052 0.000 0.745 235 E HN 0.661 nan 8.360 nan 0.000 0.477 236 F N 1.213 121.147 119.950 -0.026 0.000 2.219 236 F HA 0.039 4.565 4.527 -0.001 0.000 0.294 236 F C 2.130 177.908 175.800 -0.036 0.000 1.086 236 F CA 1.321 59.302 58.000 -0.032 0.000 1.330 236 F CB -0.183 38.802 39.000 -0.025 0.000 1.047 236 F HN -0.181 nan 8.300 nan 0.000 0.495 237 K N 0.643 120.993 120.400 -0.082 0.000 1.978 237 K HA -0.227 4.092 4.320 -0.001 0.000 0.214 237 K C 2.300 178.775 176.600 -0.208 0.000 1.049 237 K CA 2.043 58.232 56.287 -0.163 0.000 0.939 237 K CB -0.831 31.653 32.500 -0.026 0.000 0.721 237 K HN 0.420 nan 8.250 nan 0.000 0.441 238 L N 1.430 122.578 121.223 -0.126 0.000 2.129 238 L HA -0.247 4.092 4.340 -0.001 0.000 0.212 238 L C 2.209 178.963 176.870 -0.192 0.000 1.087 238 L CA 1.406 56.165 54.840 -0.135 0.000 0.757 238 L CB -0.355 41.662 42.059 -0.071 0.000 0.896 238 L HN 0.383 nan 8.230 nan 0.000 0.434 239 N N -0.571 118.002 118.700 -0.211 0.000 2.135 239 N HA -0.248 4.492 4.740 -0.001 0.000 0.186 239 N C 1.780 177.124 175.510 -0.276 0.000 1.027 239 N CA 1.565 54.481 53.050 -0.224 0.000 0.849 239 N CB -0.075 38.298 38.487 -0.190 0.000 1.002 239 N HN 0.523 nan 8.380 nan 0.000 0.425 240 Q N 0.994 120.554 119.800 -0.400 0.000 2.061 240 Q HA -0.130 4.210 4.340 -0.001 0.000 0.204 240 Q C 2.311 178.155 176.000 -0.260 0.000 0.984 240 Q CA 1.093 56.665 55.803 -0.385 0.000 0.846 240 Q CB -0.176 28.236 28.738 -0.542 0.000 0.902 240 Q HN 0.362 nan 8.270 nan 0.000 0.421 241 L N 0.315 121.389 121.223 -0.249 0.000 2.042 241 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 241 L C 2.289 179.028 176.870 -0.218 0.000 1.076 241 L CA 1.111 55.817 54.840 -0.223 0.000 0.749 241 L CB -0.132 41.779 42.059 -0.247 0.000 0.893 241 L HN 0.372 nan 8.230 nan 0.000 0.432 242 L N -0.697 120.392 121.223 -0.223 0.000 2.156 242 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 242 L C 2.310 179.069 176.870 -0.186 0.000 1.095 242 L CA 1.034 55.743 54.840 -0.218 0.000 0.770 242 L CB -0.383 41.528 42.059 -0.246 0.000 0.914 242 L HN 0.302 nan 8.230 nan 0.000 0.439 243 E N -0.023 120.071 120.200 -0.177 0.000 2.347 243 E HA -0.106 4.244 4.350 -0.001 0.000 0.196 243 E C 0.987 177.513 176.600 -0.123 0.000 1.008 243 E CA 0.475 56.788 56.400 -0.145 0.000 0.852 243 E CB 0.046 29.660 29.700 -0.142 0.000 0.783 243 E HN 0.485 nan 8.360 nan 0.000 0.505 244 N N 0.282 118.904 118.700 -0.129 0.000 2.205 244 N HA 0.094 4.834 4.740 -0.001 0.000 0.201 244 N C 0.138 175.594 175.510 -0.091 0.000 1.128 244 N CA 0.063 53.051 53.050 -0.103 0.000 0.867 244 N CB 0.721 39.146 38.487 -0.102 0.000 0.996 244 N HN 0.106 nan 8.380 nan 0.000 0.503 245 L N 1.531 122.692 121.223 -0.103 0.000 2.483 245 L HA 0.061 4.400 4.340 -0.001 0.000 0.276 245 L C 0.664 177.493 176.870 -0.068 0.000 1.213 245 L CA 0.338 55.128 54.840 -0.083 0.000 0.843 245 L CB 0.388 42.386 42.059 -0.102 0.000 1.107 245 L HN 0.108 nan 8.230 nan 0.000 0.487 246 S N 1.479 117.149 115.700 -0.050 0.000 2.541 246 S HA 0.606 5.076 4.470 -0.001 0.000 0.271 246 S C -2.766 171.814 174.600 -0.035 0.000 1.133 246 S CA -1.576 56.598 58.200 -0.044 0.000 0.876 246 S CB 1.805 64.978 63.200 -0.044 0.000 1.105 246 S HN 0.288 nan 8.310 nan 0.000 0.470 247 P HA 0.033 nan 4.420 nan 0.000 0.266 247 P C -0.466 176.826 177.300 -0.013 0.000 1.186 247 P CA 0.189 63.278 63.100 -0.018 0.000 0.767 247 P CB 0.281 31.975 31.700 -0.011 0.000 0.820 248 D N 2.195 122.600 120.400 0.008 0.000 2.488 248 D HA -0.084 4.555 4.640 -0.001 0.000 0.238 248 D C -0.024 176.288 176.300 0.020 0.000 1.138 248 D CA 0.548 54.573 54.000 0.042 0.000 0.873 248 D CB 0.632 41.498 40.800 0.110 0.000 1.183 248 D HN 0.326 nan 8.370 nan 0.000 0.458 249 Q N 2.933 122.689 119.800 -0.074 0.000 2.201 249 Q HA 0.137 4.477 4.340 -0.001 0.000 0.236 249 Q C -0.734 175.161 176.000 -0.175 0.000 0.857 249 Q CA -0.477 55.246 55.803 -0.133 0.000 1.025 249 Q CB 0.449 29.073 28.738 -0.190 0.000 1.124 249 Q HN 0.465 nan 8.270 nan 0.000 0.473 250 W N 0.035 121.334 121.300 -0.001 0.000 2.183 250 W HA 0.292 4.952 4.660 -0.001 0.000 0.348 250 W C 0.538 177.054 176.519 -0.004 0.000 1.257 250 W CA -0.518 56.826 57.345 -0.001 0.000 1.324 250 W CB 0.809 30.272 29.460 0.004 0.000 1.144 250 W HN -0.146 nan 8.180 nan 0.000 0.622 251 S N 0.613 116.478 115.700 0.274 0.000 2.545 251 S HA 0.340 4.810 4.470 -0.001 0.000 0.275 251 S C -0.564 174.099 174.600 0.104 0.000 1.299 251 S CA -0.762 57.521 58.200 0.138 0.000 1.048 251 S CB 0.720 63.978 63.200 0.097 0.000 0.938 251 S HN 0.210 nan 8.310 nan 0.000 0.496 252 V N 5.683 125.638 119.914 0.069 0.000 2.277 252 V HA 0.251 4.370 4.120 -0.001 0.000 0.269 252 V C -1.918 174.190 176.094 0.022 0.000 1.036 252 V CA -1.636 60.697 62.300 0.055 0.000 0.821 252 V CB 0.030 31.895 31.823 0.069 0.000 1.052 252 V HN 0.709 nan 8.190 nan 0.000 0.462 253 P HA 0.089 nan 4.420 nan 0.000 0.270 253 P C 1.207 178.492 177.300 -0.025 0.000 1.216 253 P CA 0.661 63.694 63.100 -0.111 0.000 0.788 253 P CB 0.491 31.975 31.700 -0.359 0.000 0.883 254 A N 1.659 124.470 122.820 -0.014 0.000 2.467 254 A HA -0.215 4.105 4.320 -0.001 0.000 0.251 254 A C 1.442 179.088 177.584 0.103 0.000 2.121 254 A CA 2.302 54.367 52.037 0.047 0.000 1.025 254 A CB -1.860 17.172 19.000 0.053 0.000 0.632 254 A HN 0.721 nan 8.150 nan 0.000 0.490 255 G N -1.654 107.263 108.800 0.194 0.000 4.766 255 G HA2 0.524 4.484 3.960 -0.001 0.000 0.331 255 G HA3 0.524 4.484 3.960 -0.001 0.000 0.331 255 G C -0.670 174.349 174.900 0.200 0.000 1.473 255 G CA -0.108 45.085 45.100 0.154 0.000 1.076 255 G HN 0.598 nan 8.290 nan 0.000 0.544 256 H N -0.162 118.914 119.070 0.009 0.000 2.797 256 H HA 0.590 5.145 4.556 -0.001 0.000 0.372 256 H C 0.108 175.442 175.328 0.010 0.000 1.168 256 H CA -0.596 55.457 56.048 0.008 0.000 1.163 256 H CB 1.737 31.503 29.762 0.007 0.000 1.778 256 H HN 0.239 nan 8.280 nan 0.000 0.551 257 R N 1.395 121.941 120.500 0.076 0.000 2.532 257 R HA 0.348 4.688 4.340 -0.001 0.000 0.272 257 R C -2.319 174.030 176.300 0.081 0.000 1.032 257 R CA -1.724 54.407 56.100 0.052 0.000 1.089 257 R CB 0.643 30.950 30.300 0.011 0.000 1.098 257 R HN 0.429 nan 8.270 nan 0.000 0.526 258 P HA 0.008 nan 4.420 nan 0.000 0.270 258 P C -0.717 176.616 177.300 0.055 0.000 1.223 258 P CA -0.045 63.096 63.100 0.069 0.000 0.785 258 P CB 0.513 32.251 31.700 0.062 0.000 0.923 259 L N 2.437 123.684 121.223 0.041 0.000 2.313 259 L HA 0.349 4.689 4.340 -0.001 0.000 0.282 259 L C 0.929 177.824 176.870 0.043 0.000 1.092 259 L CA -0.025 54.825 54.840 0.016 0.000 0.831 259 L CB 0.271 42.302 42.059 -0.047 0.000 1.159 259 L HN 0.381 nan 8.230 nan 0.000 0.442 260 R N 3.570 124.115 120.500 0.075 0.000 2.468 260 R HA 0.473 4.812 4.340 -0.001 0.000 0.302 260 R C -0.434 175.996 176.300 0.217 0.000 1.041 260 R CA -0.429 55.767 56.100 0.160 0.000 0.899 260 R CB 1.423 31.811 30.300 0.146 0.000 1.167 260 R HN 0.685 nan 8.270 nan 0.000 0.483 261 A N 3.707 126.694 122.820 0.277 0.000 3.197 261 A HA 0.170 4.489 4.320 -0.001 0.000 0.263 261 A C 0.925 178.539 177.584 0.050 0.000 1.524 261 A CA -0.336 51.792 52.037 0.152 0.000 1.176 261 A CB -0.145 18.914 19.000 0.098 0.000 1.096 261 A HN 0.897 nan 8.150 nan 0.000 0.655 262 T N 0.359 114.972 114.554 0.097 0.000 2.624 262 T HA -0.212 4.137 4.350 -0.001 0.000 0.268 262 T C 2.191 176.854 174.700 -0.062 0.000 1.041 262 T CA 2.161 64.157 62.100 -0.174 0.000 1.159 262 T CB -0.435 68.502 68.868 0.115 0.000 0.863 262 T HN 0.698 nan 8.240 nan 0.000 0.434 263 G N 0.534 109.397 108.800 0.105 0.000 2.556 263 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.220 263 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.220 263 G C 1.872 176.842 174.900 0.117 0.000 1.156 263 G CA 1.553 46.746 45.100 0.156 0.000 0.766 263 G HN 0.545 nan 8.290 nan 0.000 0.583 264 S N 0.505 116.195 115.700 -0.018 0.000 2.368 264 S HA 0.107 4.576 4.470 -0.001 0.000 0.224 264 S C 2.775 177.350 174.600 -0.043 0.000 1.029 264 S CA 1.508 59.714 58.200 0.009 0.000 0.988 264 S CB -0.509 62.707 63.200 0.028 0.000 0.838 264 S HN 0.637 nan 8.310 nan 0.000 0.462 265 A N 1.676 124.388 122.820 -0.180 0.000 1.883 265 A HA -0.039 4.281 4.320 -0.001 0.000 0.217 265 A C 2.201 179.654 177.584 -0.217 0.000 1.186 265 A CA 1.653 53.520 52.037 -0.284 0.000 0.624 265 A CB -0.962 17.617 19.000 -0.702 0.000 0.822 265 A HN 0.579 nan 8.150 nan 0.000 0.444 266 L N -0.611 120.523 121.223 -0.148 0.000 2.131 266 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 266 L C 2.505 179.337 176.870 -0.064 0.000 1.092 266 L CA 1.540 56.325 54.840 -0.092 0.000 0.759 266 L CB -0.579 41.491 42.059 0.018 0.000 0.903 266 L HN 0.575 nan 8.230 nan 0.000 0.435 267 N N 0.481 119.181 118.700 0.001 0.000 2.106 267 N HA -0.181 4.559 4.740 -0.001 0.000 0.188 267 N C 1.749 177.242 175.510 -0.029 0.000 1.029 267 N CA 1.305 54.370 53.050 0.025 0.000 0.848 267 N CB 0.067 38.657 38.487 0.173 0.000 1.007 267 N HN 0.049 nan 8.380 nan 0.000 0.423 268 I N 1.050 121.564 120.570 -0.093 0.000 2.179 268 I HA -0.147 4.023 4.170 -0.001 0.000 0.242 268 I C 2.388 178.431 176.117 -0.123 0.000 1.088 268 I CA 1.207 62.383 61.300 -0.206 0.000 1.357 268 I CB -1.926 35.849 38.000 -0.374 0.000 1.051 268 I HN 0.202 nan 8.210 nan 0.000 0.409 269 A N 1.413 124.137 122.820 -0.160 0.000 1.873 269 A HA -0.258 4.061 4.320 -0.001 0.000 0.218 269 A C 2.538 180.161 177.584 0.065 0.000 1.193 269 A CA 3.043 54.956 52.037 -0.207 0.000 0.629 269 A CB -1.078 17.567 19.000 -0.593 0.000 0.826 269 A HN 0.581 nan 8.150 nan 0.000 0.447 270 S N -0.538 115.172 115.700 0.017 0.000 2.453 270 S HA 0.036 4.506 4.470 -0.001 0.000 0.231 270 S C 1.822 176.505 174.600 0.138 0.000 1.005 270 S CA 1.199 59.460 58.200 0.102 0.000 0.949 270 S CB -0.498 62.732 63.200 0.050 0.000 0.774 270 S HN 0.443 nan 8.310 nan 0.000 0.510 271 L N -0.001 121.274 121.223 0.087 0.000 2.095 271 L HA 0.092 4.432 4.340 -0.001 0.000 0.204 271 L C 2.552 179.497 176.870 0.126 0.000 1.080 271 L CA 0.780 55.668 54.840 0.081 0.000 0.759 271 L CB -0.518 41.555 42.059 0.024 0.000 0.914 271 L HN 0.324 nan 8.230 nan 0.000 0.439 272 L N 0.103 121.421 121.223 0.159 0.000 2.012 272 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 272 L C 2.323 179.395 176.870 0.337 0.000 1.073 272 L CA 1.772 56.754 54.840 0.237 0.000 0.748 272 L CB -0.470 41.759 42.059 0.283 0.000 0.891 272 L HN 0.104 nan 8.230 nan 0.000 0.431 273 L N -0.811 120.637 121.223 0.375 0.000 2.083 273 L HA -0.251 4.088 4.340 -0.001 0.000 0.209 273 L C 2.678 179.738 176.870 0.317 0.000 1.083 273 L CA 1.777 56.770 54.840 0.256 0.000 0.752 273 L CB -0.473 41.593 42.059 0.012 0.000 0.899 273 L HN 0.522 nan 8.230 nan 0.000 0.433 274 Q N -0.022 119.955 119.800 0.295 0.000 2.119 274 Q HA -0.149 4.190 4.340 -0.001 0.000 0.201 274 Q C 2.085 178.166 176.000 0.135 0.000 0.972 274 Q CA 1.663 57.596 55.803 0.216 0.000 0.847 274 Q CB -0.270 28.549 28.738 0.135 0.000 0.903 274 Q HN 0.433 nan 8.270 nan 0.000 0.433 275 G N 0.010 108.886 108.800 0.127 0.000 2.448 275 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.219 275 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.219 275 G C 1.310 176.223 174.900 0.023 0.000 1.127 275 G CA 1.083 46.232 45.100 0.081 0.000 0.766 275 G HN 0.653 nan 8.290 nan 0.000 0.552 276 C N -4.616 114.670 119.300 -0.023 0.000 4.027 276 C HA 0.556 5.016 4.460 -0.001 0.000 0.351 276 C C 0.644 175.315 174.990 -0.532 0.000 1.634 276 C CA -0.997 57.853 59.018 -0.280 0.000 1.897 276 C CB -0.796 26.716 27.740 -0.380 0.000 2.949 276 C HN 0.202 nan 8.230 nan 0.000 0.684 277 Y N 1.299 121.648 120.300 0.081 0.000 2.658 277 Y HA 0.377 4.926 4.550 -0.001 0.000 0.273 277 Y C 0.642 176.650 175.900 0.178 0.000 0.992 277 Y CA -0.527 57.605 58.100 0.054 0.000 1.105 277 Y CB 0.137 38.533 38.460 -0.107 0.000 1.188 277 Y HN 0.120 nan 8.280 nan 0.000 0.616 278 K N 1.666 122.193 120.400 0.212 0.000 2.451 278 K HA -0.013 4.306 4.320 -0.001 0.000 0.280 278 K C 0.379 177.010 176.600 0.051 0.000 1.020 278 K CA 0.583 56.924 56.287 0.091 0.000 1.008 278 K CB 0.220 32.739 32.500 0.031 0.000 0.917 278 K HN 0.470 nan 8.250 nan 0.000 0.478 279 N N 1.779 120.440 118.700 -0.064 0.000 2.741 279 N HA -0.196 4.543 4.740 -0.001 0.000 0.250 279 N C -1.063 174.467 175.510 0.034 0.000 1.115 279 N CA 0.924 53.952 53.050 -0.036 0.000 0.724 279 N CB -0.812 37.665 38.487 -0.017 0.000 1.090 279 N HN 0.369 nan 8.380 nan 0.000 0.558 280 I N 0.335 120.971 120.570 0.111 0.000 2.436 280 I HA 0.322 4.492 4.170 -0.001 0.000 0.289 280 I C -2.088 174.037 176.117 0.014 0.000 1.010 280 I CA -2.487 58.849 61.300 0.059 0.000 1.098 280 I CB 1.352 39.405 38.000 0.089 0.000 1.266 280 I HN -0.329 nan 8.210 nan 0.000 0.434 281 P HA 0.075 nan 4.420 nan 0.000 0.257 281 P C -0.676 176.358 177.300 -0.443 0.000 1.162 281 P CA 0.537 63.464 63.100 -0.288 0.000 0.762 281 P CB 0.458 31.813 31.700 -0.575 0.000 0.753 282 A N 3.918 126.549 122.820 -0.315 0.000 2.572 282 A HA 0.788 5.108 4.320 -0.001 0.000 0.295 282 A C -0.867 176.559 177.584 -0.263 0.000 1.072 282 A CA -0.695 51.069 52.037 -0.456 0.000 0.691 282 A CB 1.710 20.299 19.000 -0.685 0.000 1.291 282 A HN 0.448 nan 8.150 nan 0.000 0.404 283 R N 2.023 122.357 120.500 -0.275 0.000 2.521 283 R HA 0.534 4.874 4.340 -0.001 0.000 0.295 283 R C -1.671 174.636 176.300 0.012 0.000 1.183 283 R CA -0.339 55.716 56.100 -0.075 0.000 0.957 283 R CB 0.580 30.844 30.300 -0.059 0.000 1.171 283 R HN 0.684 nan 8.270 nan 0.000 0.494 284 I N 6.379 126.977 120.570 0.046 0.000 2.363 284 I HA 0.194 4.364 4.170 -0.001 0.000 0.292 284 I C 0.008 176.156 176.117 0.053 0.000 1.075 284 I CA -0.098 61.230 61.300 0.046 0.000 1.333 284 I CB 0.800 38.782 38.000 -0.030 0.000 1.415 284 I HN 0.513 nan 8.210 nan 0.000 0.502 285 I N 7.726 128.342 120.570 0.076 0.000 2.330 285 I HA 0.204 4.374 4.170 -0.001 0.000 0.286 285 I C -0.395 175.729 176.117 0.012 0.000 1.025 285 I CA -0.687 60.665 61.300 0.087 0.000 1.197 285 I CB 1.295 39.413 38.000 0.197 0.000 1.358 285 I HN 0.383 nan 8.210 nan 0.000 0.467 286 L N 7.672 128.856 121.223 -0.065 0.000 2.292 286 L HA 0.526 4.865 4.340 -0.001 0.000 0.284 286 L C -1.328 175.449 176.870 -0.156 0.000 1.065 286 L CA 0.245 55.079 54.840 -0.009 0.000 0.806 286 L CB 0.557 42.630 42.059 0.022 0.000 1.175 286 L HN 0.254 nan 8.230 nan 0.000 0.431 287 F N 5.296 125.410 119.950 0.273 0.000 2.434 287 F HA 0.707 5.234 4.527 -0.001 0.000 0.367 287 F C 0.401 176.387 175.800 0.310 0.000 1.093 287 F CA -0.393 57.747 58.000 0.233 0.000 1.085 287 F CB 1.212 40.131 39.000 -0.135 0.000 1.322 287 F HN 0.681 nan 8.300 nan 0.000 0.452 288 A N 1.181 124.278 122.820 0.461 0.000 2.325 288 A HA 0.708 5.027 4.320 -0.001 0.000 0.333 288 A C 0.368 178.090 177.584 0.230 0.000 1.155 288 A CA -0.492 51.741 52.037 0.328 0.000 0.814 288 A CB 1.047 20.186 19.000 0.232 0.000 1.206 288 A HN 0.601 nan 8.150 nan 0.000 0.482 289 S N 0.110 115.892 115.700 0.136 0.000 2.578 289 S HA 0.519 4.988 4.470 -0.001 0.000 0.231 289 S C 0.534 175.125 174.600 -0.014 0.000 0.994 289 S CA 0.324 58.528 58.200 0.008 0.000 0.956 289 S CB 0.266 63.495 63.200 0.048 0.000 0.870 289 S HN 1.540 nan 8.310 nan 0.000 0.494 290 G N 2.094 110.907 108.800 0.023 0.000 2.430 290 G HA2 0.428 4.388 3.960 -0.001 0.000 0.300 290 G HA3 0.428 4.388 3.960 -0.001 0.000 0.300 290 G C -3.561 171.365 174.900 0.043 0.000 1.330 290 G CA -0.862 44.249 45.100 0.019 0.000 0.813 290 G HN -0.094 nan 8.290 nan 0.000 0.487 291 P HA 0.368 nan 4.420 nan 0.000 0.276 291 P C 0.460 177.803 177.300 0.071 0.000 1.244 291 P CA 0.094 63.220 63.100 0.044 0.000 0.801 291 P CB 1.205 32.921 31.700 0.026 0.000 1.006 292 G N 0.356 109.212 108.800 0.093 0.000 2.361 292 G HA2 0.328 4.288 3.960 -0.001 0.000 0.260 292 G HA3 0.328 4.288 3.960 -0.001 0.000 0.260 292 G C 0.740 175.662 174.900 0.038 0.000 1.261 292 G CA -0.249 44.916 45.100 0.108 0.000 0.897 292 G HN 0.569 nan 8.290 nan 0.000 0.499 293 T N -0.759 113.810 114.554 0.025 0.000 3.266 293 T HA 0.466 4.815 4.350 -0.001 0.000 0.278 293 T C 0.004 174.679 174.700 -0.042 0.000 1.010 293 T CA -0.424 61.660 62.100 -0.026 0.000 0.909 293 T CB 0.164 69.027 68.868 -0.008 0.000 1.122 293 T HN 0.298 nan 8.240 nan 0.000 0.536 294 V N 0.821 120.709 119.914 -0.044 0.000 2.851 294 V HA 0.769 4.888 4.120 -0.001 0.000 0.307 294 V C -0.068 175.957 176.094 -0.115 0.000 1.129 294 V CA -1.487 60.772 62.300 -0.068 0.000 0.932 294 V CB 1.707 33.506 31.823 -0.041 0.000 1.024 294 V HN 0.597 nan 8.190 nan 0.000 0.426 295 A N 5.795 128.525 122.820 -0.150 0.000 2.388 295 A HA 0.818 5.138 4.320 -0.001 0.000 0.257 295 A C -2.490 174.933 177.584 -0.268 0.000 1.095 295 A CA -1.245 50.653 52.037 -0.232 0.000 0.791 295 A CB 0.144 19.026 19.000 -0.197 0.000 1.029 295 A HN 0.628 nan 8.150 nan 0.000 0.489 296 P HA 0.324 nan 4.420 nan 0.000 0.272 296 P C 0.736 177.517 177.300 -0.864 0.000 1.240 296 P CA 1.267 63.826 63.100 -0.903 0.000 0.791 296 P CB 0.446 31.300 31.700 -1.409 0.000 0.978 297 G N 0.562 108.721 108.800 -1.068 0.000 2.338 297 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.296 297 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.296 297 G C -0.339 174.535 174.900 -0.043 0.000 1.040 297 G CA -0.063 44.772 45.100 -0.442 0.000 1.004 297 G HN 0.600 nan 8.290 nan 0.000 0.509 298 L N 0.419 121.583 121.223 -0.098 0.000 2.281 298 L HA 0.572 4.912 4.340 -0.001 0.000 0.285 298 L C 1.269 178.140 176.870 0.002 0.000 1.074 298 L CA -0.856 53.946 54.840 -0.062 0.000 0.817 298 L CB 0.356 42.325 42.059 -0.150 0.000 1.168 298 L HN 0.055 nan 8.230 nan 0.000 0.434 299 I N 4.892 125.478 120.570 0.025 0.000 2.494 299 I HA 0.177 4.346 4.170 -0.001 0.000 0.250 299 I C 0.566 176.687 176.117 0.007 0.000 1.112 299 I CA 0.824 62.166 61.300 0.070 0.000 1.438 299 I CB -0.034 38.013 38.000 0.079 0.000 1.111 299 I HN 0.467 nan 8.210 nan 0.000 0.431 300 V N 0.758 120.594 119.914 -0.130 0.000 3.120 300 V HA 0.368 4.487 4.120 -0.001 0.000 0.303 300 V C -0.791 175.136 176.094 -0.278 0.000 1.238 300 V CA -0.938 61.248 62.300 -0.189 0.000 1.008 300 V CB 2.602 34.414 31.823 -0.017 0.000 1.064 300 V HN 0.165 nan 8.190 nan 0.000 0.434 301 N N 2.064 120.591 118.700 -0.289 0.000 2.399 301 N HA 0.133 4.873 4.740 -0.001 0.000 0.250 301 N C 1.293 176.726 175.510 -0.127 0.000 1.272 301 N CA 0.612 53.550 53.050 -0.188 0.000 0.928 301 N CB 1.403 39.829 38.487 -0.102 0.000 1.158 301 N HN 0.886 nan 8.380 nan 0.000 0.463 302 S N -0.165 115.471 115.700 -0.106 0.000 2.368 302 S HA -0.147 4.323 4.470 -0.001 0.000 0.224 302 S C 0.514 174.910 174.600 -0.339 0.000 1.029 302 S CA 0.585 58.726 58.200 -0.098 0.000 0.988 302 S CB -0.456 62.800 63.200 0.093 0.000 0.838 302 S HN 0.687 nan 8.310 nan 0.000 0.462 303 E N 2.619 122.440 120.200 -0.632 0.000 2.498 303 E HA 0.026 4.376 4.350 -0.001 0.000 0.252 303 E C 0.568 176.979 176.600 -0.316 0.000 1.025 303 E CA -0.050 55.868 56.400 -0.804 0.000 0.938 303 E CB 0.291 29.683 29.700 -0.513 0.000 0.947 303 E HN 0.432 nan 8.360 nan 0.000 0.478 304 L N 2.829 123.919 121.223 -0.222 0.000 2.349 304 L HA -0.235 4.104 4.340 -0.001 0.000 0.220 304 L C 2.436 179.269 176.870 -0.062 0.000 1.130 304 L CA 1.795 56.579 54.840 -0.093 0.000 0.791 304 L CB -0.514 41.519 42.059 -0.042 0.000 0.918 304 L HN 0.576 nan 8.230 nan 0.000 0.444 305 K N -0.959 119.400 120.400 -0.069 0.000 2.439 305 K HA -0.100 4.220 4.320 -0.001 0.000 0.197 305 K C 0.435 177.018 176.600 -0.027 0.000 1.041 305 K CA 0.587 56.852 56.287 -0.037 0.000 0.970 305 K CB -0.166 32.317 32.500 -0.029 0.000 0.773 305 K HN 0.041 nan 8.250 nan 0.000 0.479 306 D N 3.135 123.515 120.400 -0.034 0.000 2.347 306 D HA 0.181 4.821 4.640 -0.001 0.000 0.235 306 D C -2.200 174.105 176.300 0.008 0.000 1.149 306 D CA -2.539 51.461 54.000 0.001 0.000 0.850 306 D CB 1.121 41.933 40.800 0.020 0.000 1.061 306 D HN 0.121 nan 8.370 nan 0.000 0.487 307 P HA 0.210 nan 4.420 nan 0.000 0.276 307 P C -0.274 177.045 177.300 0.032 0.000 1.252 307 P CA -0.620 62.489 63.100 0.014 0.000 0.802 307 P CB 1.163 32.868 31.700 0.008 0.000 1.035 308 L N 2.091 123.328 121.223 0.023 0.000 2.331 308 L HA 0.217 4.556 4.340 -0.001 0.000 0.278 308 L C 1.704 178.586 176.870 0.019 0.000 1.106 308 L CA -0.787 54.072 54.840 0.033 0.000 0.824 308 L CB 0.324 42.392 42.059 0.016 0.000 1.142 308 L HN 0.486 nan 8.230 nan 0.000 0.443 309 R N 2.366 122.885 120.500 0.032 0.000 2.862 309 R HA 0.071 4.411 4.340 -0.001 0.000 0.267 309 R C -0.261 176.002 176.300 -0.063 0.000 0.995 309 R CA 0.038 56.129 56.100 -0.015 0.000 1.140 309 R CB -0.200 30.084 30.300 -0.026 0.000 1.031 309 R HN 0.680 nan 8.270 nan 0.000 0.459 310 S N -1.162 114.489 115.700 -0.081 0.000 2.709 310 S HA 0.293 4.762 4.470 -0.001 0.000 0.302 310 S C 0.865 175.397 174.600 -0.113 0.000 1.127 310 S CA -0.948 57.196 58.200 -0.093 0.000 0.905 310 S CB 1.303 64.500 63.200 -0.004 0.000 1.151 310 S HN 0.680 nan 8.310 nan 0.000 0.510 311 H N 0.248 119.291 119.070 -0.045 0.000 2.352 311 H HA -0.102 4.454 4.556 -0.001 0.000 0.299 311 H C 2.023 177.342 175.328 -0.015 0.000 1.097 311 H CA 2.559 58.574 56.048 -0.054 0.000 1.311 311 H CB -0.545 29.200 29.762 -0.029 0.000 1.377 311 H HN 0.885 nan 8.280 nan 0.000 0.504 312 H N 1.344 120.440 119.070 0.044 0.000 2.290 312 H HA -0.117 4.438 4.556 -0.001 0.000 0.298 312 H C 1.562 176.871 175.328 -0.032 0.000 1.087 312 H CA 1.926 57.977 56.048 0.005 0.000 1.291 312 H CB -0.146 29.623 29.762 0.011 0.000 1.369 312 H HN 0.304 nan 8.280 nan 0.000 0.492 313 D N 0.134 120.460 120.400 -0.124 0.000 2.104 313 D HA -0.147 4.493 4.640 -0.001 0.000 0.194 313 D C 2.566 178.737 176.300 -0.215 0.000 0.994 313 D CA 1.540 55.428 54.000 -0.187 0.000 0.830 313 D CB -0.336 40.413 40.800 -0.085 0.000 0.959 313 D HN 0.475 nan 8.370 nan 0.000 0.452 314 I N 1.333 121.768 120.570 -0.225 0.000 2.179 314 I HA -0.229 3.940 4.170 -0.001 0.000 0.242 314 I C 2.063 178.055 176.117 -0.209 0.000 1.088 314 I CA 1.072 62.181 61.300 -0.319 0.000 1.357 314 I CB -0.216 37.486 38.000 -0.496 0.000 1.051 314 I HN -0.120 nan 8.210 nan 0.000 0.409 315 D N 0.802 121.121 120.400 -0.134 0.000 2.117 315 D HA -0.121 4.519 4.640 -0.001 0.000 0.197 315 D C 1.837 178.037 176.300 -0.166 0.000 0.987 315 D CA 1.835 55.780 54.000 -0.092 0.000 0.829 315 D CB -0.069 40.730 40.800 -0.002 0.000 0.961 315 D HN 0.357 nan 8.370 nan 0.000 0.460 316 S N 0.378 115.891 115.700 -0.311 0.000 2.677 316 S HA 0.039 4.508 4.470 -0.001 0.000 0.246 316 S C 0.224 174.412 174.600 -0.687 0.000 1.005 316 S CA -0.367 57.507 58.200 -0.542 0.000 1.062 316 S CB 0.110 62.823 63.200 -0.813 0.000 0.778 316 S HN 0.036 nan 8.310 nan 0.000 0.461 317 D N 1.325 121.529 120.400 -0.327 0.000 2.782 317 D HA -0.226 4.413 4.640 -0.001 0.000 0.230 317 D C 0.255 176.506 176.300 -0.081 0.000 1.165 317 D CA 1.128 55.025 54.000 -0.172 0.000 0.664 317 D CB -1.122 39.617 40.800 -0.101 0.000 1.056 317 D HN 0.795 nan 8.370 nan 0.000 0.423 318 H N -1.252 117.749 119.070 -0.115 0.000 2.648 318 H HA 0.327 4.883 4.556 -0.001 0.000 0.265 318 H C 1.255 176.512 175.328 -0.117 0.000 0.961 318 H CA 0.277 56.254 56.048 -0.118 0.000 1.185 318 H CB 0.635 30.306 29.762 -0.152 0.000 1.449 318 H HN 0.143 nan 8.280 nan 0.000 0.523 319 A N 2.581 125.392 122.820 -0.015 0.000 2.544 319 A HA -0.015 4.305 4.320 -0.001 0.000 0.301 319 A C 1.600 179.172 177.584 -0.021 0.000 1.368 319 A CA -0.510 51.508 52.037 -0.031 0.000 1.045 319 A CB -0.067 18.884 19.000 -0.082 0.000 1.129 319 A HN 0.591 nan 8.150 nan 0.000 0.540 320 Q N 1.760 121.471 119.800 -0.149 0.000 2.226 320 Q HA -0.202 4.138 4.340 -0.001 0.000 0.204 320 Q C 0.533 176.376 176.000 -0.261 0.000 0.975 320 Q CA 1.695 57.343 55.803 -0.260 0.000 0.866 320 Q CB -0.255 28.220 28.738 -0.439 0.000 0.915 320 Q HN 0.870 nan 8.270 nan 0.000 0.440 321 H N -1.307 117.820 119.070 0.095 0.000 2.604 321 H HA 0.032 4.588 4.556 -0.001 0.000 0.273 321 H C 1.384 176.784 175.328 0.121 0.000 0.971 321 H CA 0.404 56.503 56.048 0.085 0.000 1.249 321 H CB -0.306 29.497 29.762 0.068 0.000 1.449 321 H HN 0.255 nan 8.280 nan 0.000 0.512 322 Y N 2.966 123.337 120.300 0.118 0.000 2.062 322 Y HA -0.312 4.237 4.550 -0.001 0.000 0.276 322 Y C 2.330 178.286 175.900 0.093 0.000 1.189 322 Y CA 1.997 60.155 58.100 0.096 0.000 1.130 322 Y CB 0.076 38.567 38.460 0.051 0.000 0.959 322 Y HN 0.003 nan 8.280 nan 0.000 0.499 323 K N -0.327 120.177 120.400 0.173 0.000 2.097 323 K HA -0.162 4.158 4.320 -0.001 0.000 0.205 323 K C 1.963 178.587 176.600 0.039 0.000 1.050 323 K CA 1.737 58.076 56.287 0.087 0.000 0.938 323 K CB -0.126 32.440 32.500 0.110 0.000 0.718 323 K HN 0.303 nan 8.250 nan 0.000 0.442 324 K N 0.754 121.187 120.400 0.055 0.000 2.057 324 K HA -0.062 4.257 4.320 -0.001 0.000 0.206 324 K C 2.188 178.822 176.600 0.056 0.000 1.050 324 K CA 1.161 57.475 56.287 0.046 0.000 0.935 324 K CB -0.182 32.340 32.500 0.036 0.000 0.715 324 K HN 0.086 nan 8.250 nan 0.000 0.439 325 A N 1.275 124.131 122.820 0.061 0.000 1.851 325 A HA -0.241 4.078 4.320 -0.001 0.000 0.216 325 A C 2.433 180.122 177.584 0.176 0.000 1.195 325 A CA 1.856 53.971 52.037 0.129 0.000 0.622 325 A CB -1.303 17.782 19.000 0.142 0.000 0.831 325 A HN 0.461 nan 8.150 nan 0.000 0.444 326 C N -0.743 118.546 119.300 -0.019 0.000 2.413 326 C HA -0.105 4.355 4.460 -0.001 0.000 0.276 326 C C 2.714 177.724 174.990 0.033 0.000 1.248 326 C CA 1.425 60.419 59.018 -0.041 0.000 1.742 326 C CB -1.115 26.501 27.740 -0.207 0.000 2.017 326 C HN 0.723 nan 8.230 nan 0.000 0.481 327 K N -0.495 119.923 120.400 0.030 0.000 2.209 327 K HA -0.171 4.149 4.320 -0.001 0.000 0.204 327 K C 1.815 178.442 176.600 0.045 0.000 1.048 327 K CA 1.283 57.591 56.287 0.036 0.000 0.940 327 K CB -0.248 32.276 32.500 0.040 0.000 0.729 327 K HN 0.515 nan 8.250 nan 0.000 0.451 328 F N 0.346 120.232 119.950 -0.108 0.000 2.094 328 F HA -0.084 4.443 4.527 -0.001 0.000 0.291 328 F C 1.516 177.192 175.800 -0.207 0.000 1.109 328 F CA 1.191 59.063 58.000 -0.214 0.000 1.221 328 F CB -0.709 38.056 39.000 -0.392 0.000 1.014 328 F HN -0.034 nan 8.300 nan 0.000 0.473 329 Y N 0.989 121.153 120.300 -0.227 0.000 2.256 329 Y HA -0.263 4.286 4.550 -0.001 0.000 0.288 329 Y C 2.286 178.038 175.900 -0.246 0.000 1.155 329 Y CA 1.378 59.292 58.100 -0.309 0.000 1.203 329 Y CB -0.740 37.651 38.460 -0.116 0.000 0.980 329 Y HN 0.169 nan 8.280 nan 0.000 0.530 330 N N 0.031 118.714 118.700 -0.028 0.000 2.270 330 N HA -0.145 4.594 4.740 -0.001 0.000 0.181 330 N C 1.627 177.087 175.510 -0.085 0.000 1.016 330 N CA 1.103 54.133 53.050 -0.032 0.000 0.870 330 N CB -0.403 38.080 38.487 -0.006 0.000 0.979 330 N HN 0.532 nan 8.380 nan 0.000 0.431 331 Q N 0.577 120.286 119.800 -0.152 0.000 2.061 331 Q HA -0.040 4.299 4.340 -0.001 0.000 0.204 331 Q C 2.077 177.969 176.000 -0.180 0.000 0.984 331 Q CA 1.038 56.748 55.803 -0.155 0.000 0.846 331 Q CB -0.094 28.532 28.738 -0.187 0.000 0.902 331 Q HN 0.400 nan 8.270 nan 0.000 0.421 332 I N 0.328 120.722 120.570 -0.293 0.000 2.315 332 I HA -0.237 3.933 4.170 -0.001 0.000 0.248 332 I C 2.397 178.454 176.117 -0.099 0.000 1.117 332 I CA 0.748 61.915 61.300 -0.222 0.000 1.404 332 I CB -0.408 37.404 38.000 -0.314 0.000 1.071 332 I HN 0.173 nan 8.210 nan 0.000 0.419 333 A N 0.515 123.292 122.820 -0.072 0.000 1.902 333 A HA -0.258 4.061 4.320 -0.001 0.000 0.217 333 A C 2.239 179.815 177.584 -0.014 0.000 1.181 333 A CA 1.556 53.579 52.037 -0.023 0.000 0.623 333 A CB -0.643 18.353 19.000 -0.006 0.000 0.818 333 A HN 0.476 nan 8.150 nan 0.000 0.443 334 Q N -0.993 118.793 119.800 -0.024 0.000 2.170 334 Q HA -0.197 4.142 4.340 -0.001 0.000 0.203 334 Q C 2.331 178.319 176.000 -0.020 0.000 0.976 334 Q CA 1.489 57.284 55.803 -0.013 0.000 0.858 334 Q CB -0.224 28.505 28.738 -0.016 0.000 0.907 334 Q HN 0.725 nan 8.270 nan 0.000 0.433 335 R N 0.937 121.418 120.500 -0.032 0.000 2.064 335 R HA -0.142 4.198 4.340 -0.001 0.000 0.228 335 R C 2.409 178.694 176.300 -0.025 0.000 1.144 335 R CA 1.799 57.883 56.100 -0.028 0.000 0.932 335 R CB -0.376 29.906 30.300 -0.030 0.000 0.833 335 R HN 0.274 nan 8.270 nan 0.000 0.429 336 V N -0.990 118.923 119.914 -0.001 0.000 2.407 336 V HA -0.097 4.022 4.120 -0.001 0.000 0.248 336 V C 2.342 178.427 176.094 -0.016 0.000 1.055 336 V CA 1.806 64.120 62.300 0.025 0.000 1.049 336 V CB -1.215 30.655 31.823 0.079 0.000 0.662 336 V HN 0.430 nan 8.190 nan 0.000 0.455 337 A N 0.669 123.488 122.820 -0.002 0.000 1.898 337 A HA 0.174 4.494 4.320 -0.001 0.000 0.216 337 A C 2.475 180.046 177.584 -0.022 0.000 1.181 337 A CA 2.136 54.176 52.037 0.006 0.000 0.620 337 A CB -0.993 18.024 19.000 0.028 0.000 0.819 337 A HN 0.937 nan 8.150 nan 0.000 0.442 338 A N 0.273 123.072 122.820 -0.034 0.000 1.929 338 A HA -0.150 4.170 4.320 -0.001 0.000 0.216 338 A C 1.775 179.306 177.584 -0.088 0.000 1.176 338 A CA 1.507 53.517 52.037 -0.044 0.000 0.628 338 A CB -0.718 18.261 19.000 -0.034 0.000 0.816 338 A HN 0.708 nan 8.150 nan 0.000 0.444 339 N N -0.898 117.712 118.700 -0.149 0.000 2.467 339 N HA 0.237 4.976 4.740 -0.001 0.000 0.184 339 N C 0.744 175.995 175.510 -0.432 0.000 1.106 339 N CA 0.321 53.197 53.050 -0.289 0.000 0.892 339 N CB 0.068 38.333 38.487 -0.371 0.000 0.969 339 N HN 0.595 nan 8.380 nan 0.000 0.454 340 G N 1.380 110.028 108.800 -0.253 0.000 2.289 340 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.280 340 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.280 340 G C -0.690 174.163 174.900 -0.079 0.000 1.089 340 G CA -0.080 44.937 45.100 -0.139 0.000 0.939 340 G HN 0.556 nan 8.290 nan 0.000 0.499 341 H N -0.663 118.420 119.070 0.022 0.000 2.679 341 H HA 0.650 5.206 4.556 -0.001 0.000 0.367 341 H C 0.145 175.492 175.328 0.032 0.000 1.162 341 H CA -0.526 55.530 56.048 0.013 0.000 1.181 341 H CB 1.736 31.506 29.762 0.013 0.000 1.693 341 H HN 0.212 nan 8.280 nan 0.000 0.538 342 T N 1.806 116.463 114.554 0.172 0.000 2.928 342 T HA 0.404 4.753 4.350 -0.001 0.000 0.284 342 T C -0.419 174.336 174.700 0.092 0.000 1.008 342 T CA -0.751 61.424 62.100 0.125 0.000 1.057 342 T CB 1.324 70.274 68.868 0.137 0.000 1.018 342 T HN 0.178 nan 8.240 nan 0.000 0.493 343 V N 2.849 122.805 119.914 0.071 0.000 2.482 343 V HA 0.352 4.471 4.120 -0.001 0.000 0.295 343 V C -0.880 175.225 176.094 0.019 0.000 1.026 343 V CA -0.957 61.364 62.300 0.035 0.000 0.856 343 V CB 1.782 33.611 31.823 0.010 0.000 1.001 343 V HN 0.874 nan 8.190 nan 0.000 0.424 344 D N 5.106 125.524 120.400 0.029 0.000 2.192 344 D HA 0.611 5.251 4.640 -0.001 0.000 0.246 344 D C -0.571 175.682 176.300 -0.079 0.000 1.042 344 D CA -0.172 53.827 54.000 -0.002 0.000 0.847 344 D CB 3.047 43.944 40.800 0.161 0.000 1.186 344 D HN 0.337 nan 8.370 nan 0.000 0.461 345 I N 2.036 122.466 120.570 -0.233 0.000 2.439 345 I HA 0.279 4.449 4.170 -0.001 0.000 0.285 345 I C -0.935 174.971 176.117 -0.350 0.000 1.021 345 I CA -0.686 60.490 61.300 -0.207 0.000 1.091 345 I CB 1.078 38.969 38.000 -0.181 0.000 1.242 345 I HN 0.097 nan 8.210 nan 0.000 0.439 346 F N 4.923 124.847 119.950 -0.043 0.000 2.426 346 F HA 0.630 5.156 4.527 -0.001 0.000 0.348 346 F C 0.466 176.336 175.800 0.116 0.000 1.124 346 F CA -0.575 57.493 58.000 0.114 0.000 1.008 346 F CB 1.832 41.000 39.000 0.280 0.000 1.139 346 F HN 0.408 nan 8.300 nan 0.000 0.452 347 A N 2.346 125.223 122.820 0.095 0.000 2.276 347 A HA 0.690 5.010 4.320 -0.001 0.000 0.316 347 A C 0.276 177.635 177.584 -0.375 0.000 1.229 347 A CA -0.478 51.507 52.037 -0.087 0.000 0.851 347 A CB 0.439 19.346 19.000 -0.155 0.000 1.165 347 A HN 0.924 nan 8.150 nan 0.000 0.513 348 G N 1.297 109.621 108.800 -0.792 0.000 3.986 348 G HA2 0.526 4.485 3.960 -0.001 0.000 0.343 348 G HA3 0.526 4.485 3.960 -0.001 0.000 0.343 348 G C -0.285 174.144 174.900 -0.785 0.000 1.413 348 G CA 0.237 44.510 45.100 -1.378 0.000 1.143 348 G HN 1.804 nan 8.290 nan 0.000 0.488 349 C N -0.797 118.184 119.300 -0.532 0.000 3.275 349 C HA 0.454 4.913 4.460 -0.001 0.000 0.345 349 C C 0.446 175.225 174.990 -0.353 0.000 1.257 349 C CA -1.147 57.647 59.018 -0.374 0.000 1.203 349 C CB 0.084 27.710 27.740 -0.190 0.000 1.492 349 C HN 0.483 nan 8.230 nan 0.000 0.484 350 Y N 0.797 121.033 120.300 -0.106 0.000 2.314 350 Y HA 0.098 4.648 4.550 -0.001 0.000 0.293 350 Y C 1.480 177.343 175.900 -0.062 0.000 1.129 350 Y CA 1.586 59.643 58.100 -0.072 0.000 1.201 350 Y CB -0.052 38.380 38.460 -0.047 0.000 0.999 350 Y HN 0.665 nan 8.280 nan 0.000 0.541 351 D N -0.287 120.156 120.400 0.071 0.000 2.432 351 D HA 0.149 4.789 4.640 -0.001 0.000 0.258 351 D C -0.289 175.996 176.300 -0.025 0.000 1.146 351 D CA -0.453 53.562 54.000 0.026 0.000 1.015 351 D CB 0.505 41.322 40.800 0.029 0.000 1.107 351 D HN 0.136 nan 8.370 nan 0.000 0.529 352 Q N 0.045 119.830 119.800 -0.025 0.000 2.354 352 Q HA 0.297 4.636 4.340 -0.001 0.000 0.244 352 Q C 1.032 177.013 176.000 -0.032 0.000 0.969 352 Q CA -0.146 55.632 55.803 -0.043 0.000 0.885 352 Q CB 1.500 30.216 28.738 -0.037 0.000 1.241 352 Q HN 0.493 nan 8.270 nan 0.000 0.461 353 I N -2.547 117.995 120.570 -0.046 0.000 4.187 353 I HA 0.429 4.599 4.170 -0.001 0.000 0.326 353 I C 0.731 176.828 176.117 -0.033 0.000 1.302 353 I CA 0.222 61.505 61.300 -0.028 0.000 1.196 353 I CB 0.681 38.660 38.000 -0.034 0.000 1.095 353 I HN 0.761 nan 8.210 nan 0.000 0.411 354 G N 2.097 110.867 108.800 -0.050 0.000 2.186 354 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.130 354 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.130 354 G C 0.399 175.219 174.900 -0.133 0.000 1.031 354 G CA 0.177 45.240 45.100 -0.061 0.000 0.697 354 G HN 0.251 nan 8.290 nan 0.000 0.494 355 M N 0.246 119.782 119.600 -0.107 0.000 2.279 355 M HA -0.040 4.439 4.480 -0.001 0.000 0.264 355 M C 2.639 178.893 176.300 -0.076 0.000 1.062 355 M CA 1.787 57.015 55.300 -0.120 0.000 1.099 355 M CB -0.183 32.361 32.600 -0.094 0.000 1.394 355 M HN 0.356 nan 8.290 nan 0.000 0.426 356 S N 0.480 116.174 115.700 -0.010 0.000 2.368 356 S HA -0.160 4.310 4.470 -0.001 0.000 0.225 356 S C 1.599 176.209 174.600 0.018 0.000 1.030 356 S CA 1.630 59.878 58.200 0.080 0.000 0.999 356 S CB 0.013 63.339 63.200 0.210 0.000 0.844 356 S HN 0.462 nan 8.310 nan 0.000 0.459 357 E N 0.511 120.653 120.200 -0.097 0.000 2.170 357 E HA 0.163 4.513 4.350 -0.001 0.000 0.191 357 E C 1.933 178.392 176.600 -0.236 0.000 0.981 357 E CA 0.784 57.052 56.400 -0.221 0.000 0.830 357 E CB -0.104 29.473 29.700 -0.205 0.000 0.775 357 E HN 0.520 nan 8.360 nan 0.000 0.470 358 M N 0.230 119.589 119.600 -0.401 0.000 2.541 358 M HA 0.063 4.542 4.480 -0.001 0.000 0.252 358 M C 1.913 178.073 176.300 -0.233 0.000 1.125 358 M CA 0.408 55.401 55.300 -0.513 0.000 1.091 358 M CB 0.058 32.257 32.600 -0.668 0.000 1.420 358 M HN -0.051 nan 8.290 nan 0.000 0.486 359 K N 1.164 121.476 120.400 -0.146 0.000 2.077 359 K HA -0.303 4.017 4.320 -0.001 0.000 0.213 359 K C 2.034 178.605 176.600 -0.049 0.000 1.051 359 K CA 1.983 58.221 56.287 -0.081 0.000 0.929 359 K CB -0.036 32.458 32.500 -0.009 0.000 0.715 359 K HN 0.084 nan 8.250 nan 0.000 0.451 360 Q N 0.718 120.504 119.800 -0.024 0.000 2.197 360 Q HA -0.120 4.220 4.340 -0.001 0.000 0.207 360 Q C 1.872 177.869 176.000 -0.006 0.000 0.984 360 Q CA 1.510 57.315 55.803 0.003 0.000 0.869 360 Q CB -0.196 28.552 28.738 0.016 0.000 0.906 360 Q HN 0.439 nan 8.270 nan 0.000 0.426 361 L N -0.538 120.667 121.223 -0.030 0.000 2.013 361 L HA -0.241 4.099 4.340 -0.001 0.000 0.212 361 L C 2.401 179.262 176.870 -0.015 0.000 1.073 361 L CA 1.940 56.766 54.840 -0.023 0.000 0.753 361 L CB -1.116 40.916 42.059 -0.046 0.000 0.890 361 L HN 0.430 nan 8.230 nan 0.000 0.432 362 T N -4.947 109.578 114.554 -0.048 0.000 2.978 362 T HA -0.089 4.260 4.350 -0.001 0.000 0.262 362 T C 1.452 176.170 174.700 0.031 0.000 1.063 362 T CA 0.825 62.910 62.100 -0.026 0.000 1.140 362 T CB -0.155 68.591 68.868 -0.203 0.000 0.886 362 T HN 0.219 nan 8.240 nan 0.000 0.470 363 D N 1.181 121.569 120.400 -0.019 0.000 2.249 363 D HA 0.099 4.739 4.640 -0.001 0.000 0.205 363 D C 2.213 178.528 176.300 0.026 0.000 0.962 363 D CA 0.597 54.529 54.000 -0.112 0.000 0.860 363 D CB -0.018 40.751 40.800 -0.051 0.000 0.955 363 D HN 0.379 nan 8.370 nan 0.000 0.505 364 S N -0.114 115.619 115.700 0.055 0.000 2.406 364 S HA -0.033 4.437 4.470 -0.001 0.000 0.228 364 S C 1.301 175.961 174.600 0.100 0.000 1.020 364 S CA 0.749 58.999 58.200 0.084 0.000 0.965 364 S CB 0.214 63.450 63.200 0.060 0.000 0.798 364 S HN 0.457 nan 8.310 nan 0.000 0.488 365 T N -1.852 112.758 114.554 0.094 0.000 2.949 365 T HA 0.621 4.971 4.350 -0.001 0.000 0.287 365 T C 0.669 175.458 174.700 0.148 0.000 1.034 365 T CA -0.459 61.705 62.100 0.107 0.000 1.018 365 T CB 1.640 70.563 68.868 0.091 0.000 1.135 365 T HN 0.010 nan 8.240 nan 0.000 0.532 366 G N -0.023 108.860 108.800 0.137 0.000 3.530 366 G HA2 0.478 4.438 3.960 -0.001 0.000 0.269 366 G HA3 0.478 4.438 3.960 -0.001 0.000 0.269 366 G C 0.613 175.662 174.900 0.248 0.000 1.314 366 G CA -0.396 44.816 45.100 0.187 0.000 1.441 366 G HN 1.031 nan 8.290 nan 0.000 0.595 367 G N -0.562 108.369 108.800 0.218 0.000 2.606 367 G HA2 0.393 4.353 3.960 -0.001 0.000 0.252 367 G HA3 0.393 4.353 3.960 -0.001 0.000 0.252 367 G C -0.123 174.932 174.900 0.259 0.000 1.206 367 G CA -0.335 44.875 45.100 0.183 0.000 0.861 367 G HN 0.190 nan 8.290 nan 0.000 0.561 368 V N 0.590 120.587 119.914 0.139 0.000 2.686 368 V HA 0.444 4.564 4.120 -0.001 0.000 0.295 368 V C -0.102 175.882 176.094 -0.184 0.000 1.057 368 V CA -0.373 61.997 62.300 0.117 0.000 1.012 368 V CB 1.450 33.308 31.823 0.059 0.000 1.006 368 V HN 0.579 nan 8.190 nan 0.000 0.477 369 L N 5.683 126.772 121.223 -0.222 0.000 2.518 369 L HA 0.627 4.966 4.340 -0.001 0.000 0.262 369 L C -1.364 175.494 176.870 -0.021 0.000 0.982 369 L CA -0.143 54.489 54.840 -0.347 0.000 0.873 369 L CB 1.394 43.003 42.059 -0.750 0.000 1.198 369 L HN 0.575 nan 8.230 nan 0.000 0.427 370 L N 5.079 126.166 121.223 -0.225 0.000 2.376 370 L HA 0.643 4.982 4.340 -0.001 0.000 0.275 370 L C -1.546 175.094 176.870 -0.383 0.000 0.987 370 L CA -0.450 54.279 54.840 -0.185 0.000 0.828 370 L CB 1.760 43.790 42.059 -0.049 0.000 1.249 370 L HN 0.648 nan 8.230 nan 0.000 0.409 371 L N 5.480 126.151 121.223 -0.920 0.000 2.257 371 L HA 0.773 5.112 4.340 -0.001 0.000 0.290 371 L C -0.177 176.401 176.870 -0.486 0.000 1.044 371 L CA 0.417 54.838 54.840 -0.699 0.000 0.810 371 L CB 1.130 42.663 42.059 -0.877 0.000 1.193 371 L HN 0.846 nan 8.230 nan 0.000 0.425 372 T N -0.537 113.833 114.554 -0.306 0.000 2.896 372 T HA 0.416 4.766 4.350 -0.001 0.000 0.297 372 T C 0.295 174.779 174.700 -0.361 0.000 1.108 372 T CA -0.750 61.203 62.100 -0.246 0.000 1.004 372 T CB 1.349 70.158 68.868 -0.097 0.000 1.159 372 T HN 0.463 nan 8.240 nan 0.000 0.499 373 D N 0.887 121.047 120.400 -0.401 0.000 2.183 373 D HA 0.301 4.940 4.640 -0.001 0.000 0.203 373 D C 0.916 176.754 176.300 -0.770 0.000 0.969 373 D CA 1.248 54.811 54.000 -0.729 0.000 0.842 373 D CB 0.105 40.386 40.800 -0.865 0.000 0.957 373 D HN 0.919 nan 8.370 nan 0.000 0.484 374 A N -1.013 121.492 122.820 -0.524 0.000 2.610 374 A HA 0.480 4.800 4.320 -0.001 0.000 0.291 374 A C -0.817 176.527 177.584 -0.401 0.000 1.086 374 A CA -0.724 51.023 52.037 -0.484 0.000 0.677 374 A CB -0.023 18.819 19.000 -0.263 0.000 1.278 374 A HN -0.021 nan 8.150 nan 0.000 0.414 375 F N 0.910 120.715 119.950 -0.241 0.000 2.769 375 F HA 0.065 4.592 4.527 -0.001 0.000 0.304 375 F C 1.697 177.508 175.800 0.019 0.000 1.158 375 F CA 0.848 58.646 58.000 -0.337 0.000 1.398 375 F CB 0.450 39.149 39.000 -0.501 0.000 1.094 375 F HN 0.459 nan 8.300 nan 0.000 0.553 376 S N -1.529 114.255 115.700 0.140 0.000 2.497 376 S HA -0.027 4.443 4.470 -0.001 0.000 0.218 376 S C 1.091 175.770 174.600 0.133 0.000 1.023 376 S CA 0.130 58.410 58.200 0.133 0.000 0.913 376 S CB -0.196 63.046 63.200 0.070 0.000 0.800 376 S HN 0.403 nan 8.310 nan 0.000 0.505 377 T N 1.103 115.726 114.554 0.115 0.000 2.937 377 T HA 0.383 4.732 4.350 -0.001 0.000 0.316 377 T C 1.334 176.113 174.700 0.132 0.000 1.079 377 T CA 0.139 62.296 62.100 0.094 0.000 1.131 377 T CB 0.914 69.810 68.868 0.048 0.000 1.000 377 T HN 0.128 nan 8.240 nan 0.000 0.549 378 A N 2.314 125.177 122.820 0.071 0.000 1.969 378 A HA 0.062 4.381 4.320 -0.001 0.000 0.218 378 A C 2.152 179.764 177.584 0.046 0.000 1.169 378 A CA 1.019 53.084 52.037 0.046 0.000 0.635 378 A CB -0.782 18.222 19.000 0.007 0.000 0.810 378 A HN 0.817 nan 8.150 nan 0.000 0.445 379 I N -1.419 119.180 120.570 0.048 0.000 2.208 379 I HA -0.224 3.946 4.170 -0.001 0.000 0.245 379 I C 2.167 178.357 176.117 0.123 0.000 1.097 379 I CA 1.409 62.731 61.300 0.038 0.000 1.363 379 I CB -0.732 37.272 38.000 0.007 0.000 1.051 379 I HN 0.470 nan 8.210 nan 0.000 0.413 380 F N 1.364 121.371 119.950 0.095 0.000 2.094 380 F HA -0.089 4.437 4.527 -0.001 0.000 0.291 380 F C 2.449 178.390 175.800 0.235 0.000 1.109 380 F CA 1.557 59.686 58.000 0.214 0.000 1.221 380 F CB -0.533 38.619 39.000 0.254 0.000 1.014 380 F HN -0.184 nan 8.300 nan 0.000 0.473 381 K N 0.084 120.466 120.400 -0.030 0.000 2.015 381 K HA -0.272 4.047 4.320 -0.001 0.000 0.216 381 K C 2.170 178.713 176.600 -0.095 0.000 1.052 381 K CA 2.465 58.689 56.287 -0.106 0.000 0.937 381 K CB -0.412 32.125 32.500 0.062 0.000 0.719 381 K HN 0.448 nan 8.250 nan 0.000 0.446 382 Q N -0.121 119.659 119.800 -0.034 0.000 2.050 382 Q HA -0.125 4.215 4.340 -0.001 0.000 0.202 382 Q C 2.329 178.337 176.000 0.014 0.000 0.980 382 Q CA 1.558 57.350 55.803 -0.018 0.000 0.840 382 Q CB -0.055 28.669 28.738 -0.023 0.000 0.898 382 Q HN 0.212 nan 8.270 nan 0.000 0.424 383 S N 0.223 115.931 115.700 0.014 0.000 2.356 383 S HA -0.178 4.292 4.470 -0.001 0.000 0.223 383 S C 1.653 176.458 174.600 0.343 0.000 1.032 383 S CA 1.179 59.445 58.200 0.110 0.000 1.005 383 S CB -0.415 62.797 63.200 0.020 0.000 0.867 383 S HN 0.407 nan 8.310 nan 0.000 0.449 384 Y N 2.409 122.685 120.300 -0.040 0.000 2.114 384 Y HA -0.078 4.471 4.550 -0.001 0.000 0.284 384 Y C 1.883 177.890 175.900 0.179 0.000 1.143 384 Y CA 1.268 59.303 58.100 -0.109 0.000 1.135 384 Y CB -0.661 37.321 38.460 -0.796 0.000 0.980 384 Y HN 0.148 nan 8.280 nan 0.000 0.499 385 L N -0.077 121.086 121.223 -0.100 0.000 2.201 385 L HA -0.186 4.154 4.340 -0.001 0.000 0.212 385 L C 2.622 179.540 176.870 0.079 0.000 1.105 385 L CA 1.548 56.352 54.840 -0.059 0.000 0.775 385 L CB -0.558 41.463 42.059 -0.064 0.000 0.913 385 L HN 0.166 nan 8.230 nan 0.000 0.440 386 R N 0.497 121.052 120.500 0.091 0.000 2.148 386 R HA -0.172 4.168 4.340 -0.001 0.000 0.227 386 R C 2.192 178.459 176.300 -0.055 0.000 1.103 386 R CA 0.810 56.958 56.100 0.080 0.000 0.983 386 R CB -0.118 30.302 30.300 0.200 0.000 0.874 386 R HN 0.188 nan 8.270 nan 0.000 0.451 387 L N 0.152 121.306 121.223 -0.114 0.000 2.353 387 L HA -0.050 4.290 4.340 -0.001 0.000 0.220 387 L C 0.487 176.964 176.870 -0.655 0.000 1.133 387 L CA 1.619 56.165 54.840 -0.489 0.000 0.798 387 L CB -0.083 41.696 42.059 -0.467 0.000 0.922 387 L HN 0.120 nan 8.230 nan 0.000 0.445 388 F N -0.131 119.718 119.950 -0.168 0.000 2.639 388 F HA 0.480 5.007 4.527 -0.001 0.000 0.300 388 F C 1.347 177.091 175.800 -0.094 0.000 1.109 388 F CA -0.267 57.652 58.000 -0.135 0.000 1.335 388 F CB -1.109 37.772 39.000 -0.198 0.000 1.014 388 F HN -0.004 nan 8.300 nan 0.000 0.537 389 A N 1.231 124.052 122.820 0.001 0.000 2.555 389 A HA 0.276 4.595 4.320 -0.001 0.000 0.233 389 A C 0.488 178.088 177.584 0.028 0.000 1.060 389 A CA 0.105 52.147 52.037 0.008 0.000 0.759 389 A CB 0.242 19.224 19.000 -0.030 0.000 0.995 389 A HN 0.380 nan 8.150 nan 0.000 0.506 390 K N 0.775 121.202 120.400 0.046 0.000 2.281 390 K HA 0.426 4.746 4.320 -0.001 0.000 0.242 390 K C -0.840 175.807 176.600 0.079 0.000 0.971 390 K CA -0.740 55.589 56.287 0.070 0.000 0.834 390 K CB 1.323 33.863 32.500 0.066 0.000 1.181 390 K HN 0.837 nan 8.250 nan 0.000 0.435 391 D N -0.216 120.255 120.400 0.119 0.000 2.440 391 D HA -0.001 4.638 4.640 -0.001 0.000 0.269 391 D C 0.610 176.982 176.300 0.120 0.000 1.249 391 D CA -0.256 53.818 54.000 0.123 0.000 1.055 391 D CB 0.386 41.284 40.800 0.164 0.000 1.104 391 D HN 0.471 nan 8.370 nan 0.000 0.561 392 E N -0.890 119.379 120.200 0.115 0.000 2.268 392 E HA -0.131 4.219 4.350 -0.001 0.000 0.195 392 E C 0.988 177.657 176.600 0.115 0.000 0.995 392 E CA 0.810 57.266 56.400 0.094 0.000 0.836 392 E CB -0.090 29.657 29.700 0.078 0.000 0.763 392 E HN 0.418 nan 8.360 nan 0.000 0.491 393 E N -0.240 120.076 120.200 0.193 0.000 2.502 393 E HA 0.054 4.404 4.350 -0.001 0.000 0.194 393 E C 1.041 177.729 176.600 0.147 0.000 1.062 393 E CA 0.553 57.110 56.400 0.260 0.000 0.867 393 E CB 0.310 30.290 29.700 0.467 0.000 0.888 393 E HN 0.381 nan 8.360 nan 0.000 0.510 394 G N -0.314 108.539 108.800 0.088 0.000 2.143 394 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.249 394 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.249 394 G C -0.289 174.539 174.900 -0.119 0.000 0.981 394 G CA 0.101 45.165 45.100 -0.061 0.000 0.665 394 G HN 0.248 nan 8.290 nan 0.000 0.528 395 Y N -0.372 119.993 120.300 0.109 0.000 2.419 395 Y HA 0.680 5.230 4.550 -0.001 0.000 0.328 395 Y C 1.314 177.274 175.900 0.100 0.000 1.162 395 Y CA -1.210 56.972 58.100 0.137 0.000 1.174 395 Y CB 0.812 39.411 38.460 0.231 0.000 1.228 395 Y HN 0.102 nan 8.280 nan 0.000 0.473 396 L N 2.371 123.751 121.223 0.261 0.000 2.514 396 L HA 0.002 4.342 4.340 -0.001 0.000 0.280 396 L C 1.263 178.156 176.870 0.038 0.000 1.223 396 L CA 0.262 55.185 54.840 0.139 0.000 0.864 396 L CB 0.445 42.608 42.059 0.174 0.000 1.118 396 L HN 0.734 nan 8.230 nan 0.000 0.494 397 K N 2.400 122.790 120.400 -0.017 0.000 2.167 397 K HA -0.012 4.307 4.320 -0.001 0.000 0.203 397 K C 0.729 177.223 176.600 -0.175 0.000 1.052 397 K CA 0.588 56.832 56.287 -0.071 0.000 0.956 397 K CB 0.035 32.521 32.500 -0.024 0.000 0.735 397 K HN 0.617 nan 8.250 nan 0.000 0.451 398 M N 0.267 119.736 119.600 -0.219 0.000 2.252 398 M HA 0.234 4.714 4.480 -0.001 0.000 0.333 398 M C -0.275 175.693 176.300 -0.553 0.000 1.111 398 M CA 0.259 55.331 55.300 -0.380 0.000 1.140 398 M CB 0.608 32.961 32.600 -0.412 0.000 1.538 398 M HN -0.129 nan 8.290 nan 0.000 0.448 399 A N 2.579 125.005 122.820 -0.657 0.000 2.423 399 A HA 0.953 5.273 4.320 -0.001 0.000 0.304 399 A C -1.411 175.752 177.584 -0.702 0.000 1.104 399 A CA -0.811 50.902 52.037 -0.540 0.000 0.757 399 A CB 1.123 19.918 19.000 -0.342 0.000 1.313 399 A HN 0.840 nan 8.150 nan 0.000 0.423 400 F N -0.587 119.406 119.950 0.071 0.000 2.631 400 F HA 0.547 5.074 4.527 -0.001 0.000 0.328 400 F C 0.786 176.631 175.800 0.075 0.000 1.067 400 F CA -0.605 57.416 58.000 0.035 0.000 0.969 400 F CB 0.970 39.973 39.000 0.005 0.000 1.332 400 F HN 0.642 nan 8.300 nan 0.000 0.490 401 N N 0.635 119.492 118.700 0.263 0.000 2.669 401 N HA -0.147 4.593 4.740 -0.001 0.000 0.266 401 N C -0.554 175.048 175.510 0.154 0.000 1.024 401 N CA 0.642 53.789 53.050 0.162 0.000 0.766 401 N CB -0.774 37.795 38.487 0.135 0.000 0.898 401 N HN 1.037 nan 8.380 nan 0.000 0.548 402 G N 1.285 110.151 108.800 0.111 0.000 2.395 402 G HA2 0.377 4.337 3.960 -0.001 0.000 0.283 402 G HA3 0.377 4.337 3.960 -0.001 0.000 0.283 402 G C -0.440 174.502 174.900 0.070 0.000 1.178 402 G CA -0.578 44.579 45.100 0.096 0.000 0.837 402 G HN 0.543 nan 8.290 nan 0.000 0.518 403 N N 1.757 120.511 118.700 0.090 0.000 2.519 403 N HA 0.260 5.000 4.740 -0.001 0.000 0.286 403 N C -1.263 174.304 175.510 0.096 0.000 1.079 403 N CA -0.449 52.646 53.050 0.076 0.000 0.878 403 N CB 1.712 40.240 38.487 0.067 0.000 1.375 403 N HN 0.459 nan 8.380 nan 0.000 0.514 404 M N 3.819 123.484 119.600 0.109 0.000 2.167 404 M HA 0.570 5.049 4.480 -0.001 0.000 0.333 404 M C -1.225 175.210 176.300 0.226 0.000 1.030 404 M CA -0.471 54.934 55.300 0.176 0.000 0.963 404 M CB 1.158 33.841 32.600 0.138 0.000 1.589 404 M HN 0.561 nan 8.290 nan 0.000 0.431 405 A N 4.838 127.770 122.820 0.186 0.000 2.331 405 A HA 0.722 5.042 4.320 -0.001 0.000 0.320 405 A C -1.247 176.421 177.584 0.140 0.000 1.138 405 A CA -0.640 51.467 52.037 0.117 0.000 0.790 405 A CB 1.431 20.459 19.000 0.048 0.000 1.206 405 A HN 0.627 nan 8.150 nan 0.000 0.470 406 V N 4.726 124.708 119.914 0.114 0.000 2.313 406 V HA 0.277 4.397 4.120 -0.001 0.000 0.278 406 V C -0.445 175.656 176.094 0.012 0.000 1.017 406 V CA -0.711 61.609 62.300 0.033 0.000 0.823 406 V CB 1.125 33.015 31.823 0.112 0.000 1.010 406 V HN 0.810 nan 8.190 nan 0.000 0.443 407 K N 3.399 123.787 120.400 -0.020 0.000 2.143 407 K HA 0.712 5.031 4.320 -0.001 0.000 0.272 407 K C 0.139 176.758 176.600 0.032 0.000 1.001 407 K CA -0.269 56.029 56.287 0.018 0.000 0.915 407 K CB 1.855 34.371 32.500 0.027 0.000 1.047 407 K HN 0.826 nan 8.250 nan 0.000 0.458 408 T N -2.284 112.315 114.554 0.074 0.000 2.900 408 T HA 0.392 4.742 4.350 -0.001 0.000 0.303 408 T C 0.181 174.942 174.700 0.101 0.000 1.142 408 T CA -0.815 61.344 62.100 0.099 0.000 1.007 408 T CB 1.228 70.192 68.868 0.161 0.000 1.156 408 T HN 0.279 nan 8.240 nan 0.000 0.490 409 S N 0.617 116.385 115.700 0.113 0.000 2.614 409 S HA 0.088 4.558 4.470 -0.001 0.000 0.251 409 S C 1.363 176.023 174.600 0.099 0.000 1.388 409 S CA -0.579 57.693 58.200 0.120 0.000 0.973 409 S CB 0.111 63.381 63.200 0.117 0.000 0.926 409 S HN 0.770 nan 8.310 nan 0.000 0.580 410 K N 0.474 120.932 120.400 0.096 0.000 2.365 410 K HA -0.026 4.294 4.320 -0.001 0.000 0.197 410 K C 0.020 176.678 176.600 0.096 0.000 1.042 410 K CA 0.812 57.152 56.287 0.088 0.000 0.987 410 K CB -0.172 32.375 32.500 0.078 0.000 0.779 410 K HN 0.582 nan 8.250 nan 0.000 0.484 411 D N 0.936 121.398 120.400 0.104 0.000 2.894 411 D HA 0.146 4.786 4.640 -0.001 0.000 0.248 411 D C -0.473 175.889 176.300 0.105 0.000 1.291 411 D CA -0.273 53.796 54.000 0.116 0.000 0.840 411 D CB 0.001 40.904 40.800 0.172 0.000 1.044 411 D HN -0.114 nan 8.370 nan 0.000 0.484 412 L N -0.610 120.679 121.223 0.110 0.000 2.751 412 L HA 0.374 4.714 4.340 -0.001 0.000 0.261 412 L C -1.480 175.497 176.870 0.178 0.000 0.927 412 L CA -0.333 54.588 54.840 0.135 0.000 0.968 412 L CB 1.603 43.731 42.059 0.115 0.000 1.432 412 L HN -0.135 nan 8.230 nan 0.000 0.439 413 K N 2.555 123.076 120.400 0.203 0.000 2.306 413 K HA 0.848 5.167 4.320 -0.001 0.000 0.236 413 K C -1.391 175.350 176.600 0.234 0.000 1.013 413 K CA -1.024 55.377 56.287 0.189 0.000 0.857 413 K CB 2.541 35.116 32.500 0.125 0.000 1.214 413 K HN 0.333 nan 8.250 nan 0.000 0.449 414 V N 2.338 122.333 119.914 0.135 0.000 2.398 414 V HA 0.135 4.254 4.120 -0.001 0.000 0.286 414 V C 0.524 176.658 176.094 0.066 0.000 1.026 414 V CA -0.308 62.011 62.300 0.031 0.000 0.868 414 V CB 1.375 33.226 31.823 0.047 0.000 0.982 414 V HN 0.776 nan 8.190 nan 0.000 0.443 415 Q N 2.768 122.601 119.800 0.056 0.000 2.391 415 Q HA 0.413 4.752 4.340 -0.001 0.000 0.211 415 Q C 0.866 176.957 176.000 0.152 0.000 0.908 415 Q CA 0.677 56.544 55.803 0.106 0.000 0.920 415 Q CB 1.168 29.976 28.738 0.116 0.000 1.056 415 Q HN 1.023 nan 8.270 nan 0.000 0.523 416 G N 0.497 109.419 108.800 0.204 0.000 2.368 416 G HA2 0.169 4.128 3.960 -0.001 0.000 0.302 416 G HA3 0.169 4.128 3.960 -0.001 0.000 0.302 416 G C -2.349 172.559 174.900 0.012 0.000 1.329 416 G CA -0.933 44.337 45.100 0.283 0.000 0.935 416 G HN 0.065 nan 8.290 nan 0.000 0.590 417 L N -0.271 120.801 121.223 -0.252 0.000 2.354 417 L HA 0.904 5.244 4.340 -0.001 0.000 0.269 417 L C -0.790 175.914 176.870 -0.277 0.000 1.005 417 L CA -1.329 53.141 54.840 -0.617 0.000 0.819 417 L CB 1.706 42.748 42.059 -1.694 0.000 1.311 417 L HN 0.547 nan 8.230 nan 0.000 0.423 418 I N 4.654 125.136 120.570 -0.147 0.000 2.448 418 I HA 0.693 4.862 4.170 -0.001 0.000 0.281 418 I C 0.089 176.166 176.117 -0.067 0.000 1.027 418 I CA -0.283 60.985 61.300 -0.053 0.000 1.111 418 I CB 1.345 39.399 38.000 0.090 0.000 1.236 418 I HN 0.828 nan 8.210 nan 0.000 0.452 419 G N 3.927 112.725 108.800 -0.003 0.000 2.325 419 G HA2 0.205 4.165 3.960 -0.001 0.000 0.295 419 G HA3 0.205 4.165 3.960 -0.001 0.000 0.295 419 G C -1.197 173.847 174.900 0.241 0.000 1.274 419 G CA -0.830 44.271 45.100 0.002 0.000 0.857 419 G HN 0.605 nan 8.290 nan 0.000 0.499 420 H N 0.744 119.873 119.070 0.098 0.000 2.855 420 H HA 0.571 5.126 4.556 -0.001 0.000 0.238 420 H C 0.615 176.063 175.328 0.200 0.000 1.847 420 H CA 0.258 56.391 56.048 0.141 0.000 1.368 420 H CB 0.189 30.027 29.762 0.126 0.000 1.758 420 H HN 0.720 nan 8.280 nan 0.000 0.546 421 A N 1.334 124.309 122.820 0.258 0.000 2.524 421 A HA 0.750 5.070 4.320 -0.001 0.000 0.289 421 A C -0.811 176.889 177.584 0.193 0.000 1.248 421 A CA -0.769 51.380 52.037 0.188 0.000 0.712 421 A CB 1.815 20.880 19.000 0.107 0.000 1.312 421 A HN 0.346 nan 8.150 nan 0.000 0.441 422 S N -0.856 114.975 115.700 0.219 0.000 2.549 422 S HA 0.708 5.177 4.470 -0.001 0.000 0.280 422 S C -0.142 174.610 174.600 0.254 0.000 1.109 422 S CA 0.021 58.343 58.200 0.203 0.000 0.905 422 S CB 1.727 64.997 63.200 0.116 0.000 1.081 422 S HN 1.639 nan 8.310 nan 0.000 0.477 423 A N 1.681 124.624 122.820 0.205 0.000 2.407 423 A HA 0.564 4.884 4.320 -0.001 0.000 0.248 423 A C -0.334 177.207 177.584 -0.072 0.000 1.082 423 A CA -0.243 51.806 52.037 0.020 0.000 0.785 423 A CB 0.090 19.092 19.000 0.004 0.000 1.020 423 A HN 0.639 nan 8.150 nan 0.000 0.489 424 V N 4.751 124.543 119.914 -0.205 0.000 2.347 424 V HA 0.270 4.390 4.120 -0.001 0.000 0.280 424 V C 0.116 176.106 176.094 -0.173 0.000 1.021 424 V CA -0.662 61.548 62.300 -0.150 0.000 0.847 424 V CB 1.040 32.770 31.823 -0.155 0.000 0.990 424 V HN 0.924 nan 8.190 nan 0.000 0.444 425 K N 2.898 123.232 120.400 -0.110 0.000 2.419 425 K HA 0.522 4.841 4.320 -0.001 0.000 0.246 425 K C 0.470 177.020 176.600 -0.083 0.000 1.037 425 K CA -0.950 55.279 56.287 -0.097 0.000 0.982 425 K CB 0.402 32.865 32.500 -0.062 0.000 1.283 425 K HN 0.432 nan 8.250 nan 0.000 0.500 426 K N -0.318 120.041 120.400 -0.067 0.000 3.016 426 K HA -0.168 4.152 4.320 -0.001 0.000 0.262 426 K C -0.071 176.487 176.600 -0.070 0.000 1.043 426 K CA 1.211 57.464 56.287 -0.056 0.000 0.761 426 K CB -2.193 30.282 32.500 -0.042 0.000 1.230 426 K HN 0.913 nan 8.250 nan 0.000 0.485 427 T N -3.264 111.234 114.554 -0.092 0.000 2.849 427 T HA 0.306 4.655 4.350 -0.001 0.000 0.284 427 T C 0.687 175.327 174.700 -0.100 0.000 1.004 427 T CA -0.575 61.461 62.100 -0.106 0.000 1.021 427 T CB 1.169 69.955 68.868 -0.137 0.000 1.013 427 T HN 0.035 nan 8.240 nan 0.000 0.527 428 D N 0.324 120.644 120.400 -0.133 0.000 2.339 428 D HA 0.348 4.988 4.640 -0.001 0.000 0.217 428 D C 0.973 177.206 176.300 -0.111 0.000 1.050 428 D CA 0.058 53.959 54.000 -0.166 0.000 0.856 428 D CB -0.321 40.244 40.800 -0.391 0.000 0.922 428 D HN 0.885 nan 8.370 nan 0.000 0.518 429 A N 0.742 123.508 122.820 -0.090 0.000 2.561 429 A HA 0.034 4.353 4.320 -0.001 0.000 0.234 429 A C 1.049 178.630 177.584 -0.005 0.000 1.055 429 A CA 0.235 52.241 52.037 -0.051 0.000 0.756 429 A CB 0.233 19.185 19.000 -0.079 0.000 0.986 429 A HN 0.128 nan 8.150 nan 0.000 0.505 430 N N 0.712 119.428 118.700 0.027 0.000 2.177 430 N HA -0.034 4.705 4.740 -0.001 0.000 0.218 430 N C 0.185 175.719 175.510 0.041 0.000 1.182 430 N CA 0.161 53.237 53.050 0.044 0.000 0.882 430 N CB 0.374 38.904 38.487 0.072 0.000 1.052 430 N HN 0.828 nan 8.380 nan 0.000 0.519 431 N N 0.645 119.366 118.700 0.035 0.000 2.251 431 N HA 0.077 4.816 4.740 -0.001 0.000 0.217 431 N C 0.021 175.562 175.510 0.051 0.000 1.124 431 N CA -0.153 52.930 53.050 0.055 0.000 0.843 431 N CB 0.023 38.553 38.487 0.072 0.000 1.024 431 N HN 0.129 nan 8.380 nan 0.000 0.501 432 I N 0.994 121.578 120.570 0.024 0.000 2.452 432 I HA 0.026 4.195 4.170 -0.001 0.000 0.287 432 I C 0.844 176.984 176.117 0.039 0.000 1.079 432 I CA -0.407 60.905 61.300 0.019 0.000 1.387 432 I CB 0.794 38.784 38.000 -0.016 0.000 1.404 432 I HN 0.051 nan 8.210 nan 0.000 0.522 433 S N 4.656 120.389 115.700 0.056 0.000 2.585 433 S HA 0.078 4.547 4.470 -0.001 0.000 0.273 433 S C 1.188 175.818 174.600 0.049 0.000 1.339 433 S CA -0.425 57.812 58.200 0.062 0.000 1.028 433 S CB 0.911 64.158 63.200 0.078 0.000 0.906 433 S HN 0.560 nan 8.310 nan 0.000 0.528 434 E N 1.855 122.083 120.200 0.047 0.000 2.158 434 E HA 0.070 4.419 4.350 -0.001 0.000 0.191 434 E C 0.431 177.056 176.600 0.041 0.000 0.982 434 E CA 0.483 56.906 56.400 0.039 0.000 0.823 434 E CB -0.270 29.452 29.700 0.035 0.000 0.766 434 E HN 0.479 nan 8.360 nan 0.000 0.468 435 S N 1.477 117.206 115.700 0.049 0.000 2.562 435 S HA 0.223 4.692 4.470 -0.001 0.000 0.275 435 S C 0.147 174.776 174.600 0.050 0.000 1.281 435 S CA -0.503 57.726 58.200 0.047 0.000 1.045 435 S CB 1.062 64.294 63.200 0.053 0.000 0.962 435 S HN 0.078 nan 8.310 nan 0.000 0.503 436 E N 1.782 122.005 120.200 0.039 0.000 2.336 436 E HA 0.698 5.047 4.350 -0.001 0.000 0.267 436 E C -1.197 175.400 176.600 -0.006 0.000 0.906 436 E CA -0.882 55.541 56.400 0.038 0.000 0.781 436 E CB 1.740 31.471 29.700 0.052 0.000 1.261 436 E HN 0.387 nan 8.360 nan 0.000 0.436 437 I N 1.106 121.654 120.570 -0.038 0.000 2.571 437 I HA 0.422 4.592 4.170 -0.001 0.000 0.289 437 I C 0.455 176.438 176.117 -0.223 0.000 1.115 437 I CA -0.426 60.764 61.300 -0.183 0.000 1.045 437 I CB 1.698 39.466 38.000 -0.386 0.000 1.238 437 I HN 0.956 nan 8.210 nan 0.000 0.424 438 G N 6.378 114.889 108.800 -0.483 0.000 2.552 438 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.265 438 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.265 438 G C -0.112 174.638 174.900 -0.251 0.000 1.234 438 G CA -0.492 44.099 45.100 -0.847 0.000 0.944 438 G HN 0.627 nan 8.290 nan 0.000 0.568 439 I N 3.031 123.554 120.570 -0.079 0.000 2.389 439 I HA 0.451 4.621 4.170 -0.001 0.000 0.295 439 I C 1.429 177.746 176.117 0.333 0.000 1.117 439 I CA 0.692 62.093 61.300 0.168 0.000 1.317 439 I CB -0.176 37.978 38.000 0.257 0.000 1.431 439 I HN 0.788 nan 8.210 nan 0.000 0.521 440 G N 4.001 112.934 108.800 0.222 0.000 3.008 440 G HA2 0.578 4.537 3.960 -0.001 0.000 0.181 440 G HA3 0.578 4.537 3.960 -0.001 0.000 0.181 440 G C 0.463 175.433 174.900 0.117 0.000 1.309 440 G CA -0.245 44.983 45.100 0.213 0.000 1.009 440 G HN 0.801 nan 8.290 nan 0.000 0.584 441 A N -1.901 120.958 122.820 0.065 0.000 2.832 441 A HA 0.128 4.448 4.320 -0.001 0.000 0.280 441 A C 0.643 178.188 177.584 -0.065 0.000 1.464 441 A CA 2.350 54.392 52.037 0.008 0.000 0.804 441 A CB -1.999 17.008 19.000 0.012 0.000 1.020 441 A HN 2.229 nan 8.150 nan 0.000 0.563 442 T N -2.356 112.128 114.554 -0.117 0.000 2.774 442 T HA 0.561 4.910 4.350 -0.001 0.000 0.325 442 T C 0.376 174.762 174.700 -0.524 0.000 1.753 442 T CA 0.844 62.745 62.100 -0.330 0.000 1.024 442 T CB 0.660 69.223 68.868 -0.507 0.000 1.628 442 T HN 1.573 nan 8.240 nan 0.000 0.497 443 S N 0.474 115.802 115.700 -0.620 0.000 2.730 443 S HA 0.393 4.863 4.470 -0.001 0.000 0.244 443 S C 0.056 174.182 174.600 -0.789 0.000 1.022 443 S CA -0.317 57.526 58.200 -0.595 0.000 1.014 443 S CB 0.331 63.431 63.200 -0.166 0.000 0.963 443 S HN 0.748 nan 8.310 nan 0.000 0.540 444 T N 2.400 116.326 114.554 -1.046 0.000 2.848 444 T HA 0.562 4.911 4.350 -0.001 0.000 0.285 444 T C -1.320 172.904 174.700 -0.794 0.000 0.995 444 T CA -0.528 61.207 62.100 -0.608 0.000 0.970 444 T CB 1.165 69.852 68.868 -0.302 0.000 0.976 444 T HN 0.375 nan 8.240 nan 0.000 0.441 445 W N 1.893 123.169 121.300 -0.040 0.000 2.992 445 W HA 0.591 5.250 4.660 -0.001 0.000 0.342 445 W C -0.503 175.981 176.519 -0.059 0.000 1.176 445 W CA -1.026 56.289 57.345 -0.051 0.000 1.118 445 W CB 2.076 31.490 29.460 -0.076 0.000 1.457 445 W HN 0.590 nan 8.180 nan 0.000 0.573 446 K N 0.466 120.980 120.400 0.190 0.000 2.469 446 K HA 0.835 5.154 4.320 -0.001 0.000 0.254 446 K C -1.325 175.320 176.600 0.076 0.000 0.939 446 K CA -0.962 55.380 56.287 0.091 0.000 0.812 446 K CB 2.231 34.766 32.500 0.058 0.000 1.301 446 K HN 0.238 nan 8.250 nan 0.000 0.433 447 M N 2.280 121.904 119.600 0.039 0.000 2.151 447 M HA 0.346 4.825 4.480 -0.001 0.000 0.290 447 M C 0.466 176.793 176.300 0.045 0.000 0.965 447 M CA -0.413 54.909 55.300 0.038 0.000 0.930 447 M CB 1.819 34.408 32.600 -0.018 0.000 1.560 447 M HN 0.928 nan 8.290 nan 0.000 0.438 448 A N 1.283 124.145 122.820 0.071 0.000 1.908 448 A HA 0.044 4.363 4.320 -0.001 0.000 0.218 448 A C 0.941 178.597 177.584 0.121 0.000 1.181 448 A CA 1.467 53.566 52.037 0.104 0.000 0.627 448 A CB -0.026 19.043 19.000 0.114 0.000 0.818 448 A HN 0.655 nan 8.150 nan 0.000 0.445 449 S N -1.394 114.328 115.700 0.036 0.000 2.548 449 S HA 0.667 5.137 4.470 -0.001 0.000 0.286 449 S C -1.242 173.185 174.600 -0.287 0.000 1.098 449 S CA -0.582 57.565 58.200 -0.088 0.000 0.930 449 S CB 1.625 64.803 63.200 -0.035 0.000 1.070 449 S HN 0.637 nan 8.310 nan 0.000 0.480 450 L N 0.193 121.151 121.223 -0.442 0.000 2.720 450 L HA 0.980 5.320 4.340 -0.001 0.000 0.261 450 L C -0.385 176.198 176.870 -0.479 0.000 1.046 450 L CA -1.001 53.421 54.840 -0.697 0.000 0.886 450 L CB 0.599 42.399 42.059 -0.431 0.000 1.493 450 L HN 0.734 nan 8.230 nan 0.000 0.407 451 S N -2.704 112.828 115.700 -0.280 0.000 2.661 451 S HA 0.721 5.191 4.470 -0.001 0.000 0.268 451 S C -2.720 171.837 174.600 -0.073 0.000 1.162 451 S CA -0.847 57.284 58.200 -0.114 0.000 0.817 451 S CB 1.325 64.534 63.200 0.015 0.000 1.141 451 S HN 0.440 nan 8.310 nan 0.000 0.477 452 P HA 0.022 nan 4.420 nan 0.000 0.221 452 P C 0.247 177.308 177.300 -0.398 0.000 1.145 452 P CA 1.130 64.071 63.100 -0.264 0.000 0.795 452 P CB -0.227 31.304 31.700 -0.283 0.000 0.775 453 Y N -2.711 117.499 120.300 -0.150 0.000 2.462 453 Y HA 0.085 4.634 4.550 -0.001 0.000 0.293 453 Y C 0.566 176.247 175.900 -0.364 0.000 1.195 453 Y CA 0.074 58.043 58.100 -0.217 0.000 1.276 453 Y CB -0.921 37.427 38.460 -0.187 0.000 1.082 453 Y HN 0.075 nan 8.280 nan 0.000 0.514 454 H N -1.107 117.780 119.070 -0.306 0.000 2.459 454 H HA 0.550 5.106 4.556 -0.001 0.000 0.332 454 H C -0.316 174.604 175.328 -0.680 0.000 1.094 454 H CA -0.565 55.173 56.048 -0.517 0.000 1.224 454 H CB 1.336 30.826 29.762 -0.453 0.000 1.449 454 H HN -0.134 nan 8.280 nan 0.000 0.484 455 S N 2.113 117.331 115.700 -0.804 0.000 2.548 455 S HA 0.550 5.020 4.470 -0.001 0.000 0.286 455 S C -1.471 172.531 174.600 -0.998 0.000 1.098 455 S CA -0.778 56.992 58.200 -0.716 0.000 0.930 455 S CB 1.012 63.893 63.200 -0.531 0.000 1.070 455 S HN 0.441 nan 8.310 nan 0.000 0.480 456 Y N 0.178 120.274 120.300 -0.340 0.000 2.512 456 Y HA 0.669 5.219 4.550 -0.001 0.000 0.348 456 Y C -0.021 175.659 175.900 -0.365 0.000 0.990 456 Y CA -1.152 56.746 58.100 -0.337 0.000 1.033 456 Y CB 1.527 39.801 38.460 -0.310 0.000 1.259 456 Y HN 0.731 nan 8.280 nan 0.000 0.461 457 A N 3.381 126.038 122.820 -0.272 0.000 2.260 457 A HA 0.698 5.017 4.320 -0.001 0.000 0.312 457 A C -0.976 176.191 177.584 -0.696 0.000 1.321 457 A CA -0.407 51.332 52.037 -0.497 0.000 0.928 457 A CB -0.566 18.177 19.000 -0.429 0.000 1.158 457 A HN 0.610 nan 8.150 nan 0.000 0.542 458 I N 2.653 122.813 120.570 -0.684 0.000 2.336 458 I HA 0.408 4.577 4.170 -0.001 0.000 0.292 458 I C -0.705 174.885 176.117 -0.877 0.000 0.991 458 I CA 0.071 60.975 61.300 -0.659 0.000 1.227 458 I CB 0.896 38.678 38.000 -0.363 0.000 1.366 458 I HN 0.508 nan 8.210 nan 0.000 0.466 459 F N 5.929 125.651 119.950 -0.380 0.000 2.458 459 F HA 0.610 5.137 4.527 -0.001 0.000 0.336 459 F C -0.219 175.373 175.800 -0.347 0.000 1.114 459 F CA -0.530 57.345 58.000 -0.208 0.000 0.987 459 F CB 0.930 39.888 39.000 -0.070 0.000 1.130 459 F HN 0.159 nan 8.300 nan 0.000 0.458 460 F N 0.560 120.608 119.950 0.163 0.000 2.518 460 F HA 0.535 5.062 4.527 -0.001 0.000 0.338 460 F C -0.125 175.720 175.800 0.075 0.000 1.065 460 F CA -1.122 56.933 58.000 0.090 0.000 1.012 460 F CB 1.342 40.342 39.000 -0.000 0.000 1.297 460 F HN 0.366 nan 8.300 nan 0.000 0.489 461 E N 1.305 121.662 120.200 0.261 0.000 2.263 461 E HA 0.319 4.669 4.350 -0.001 0.000 0.268 461 E C -1.458 175.215 176.600 0.122 0.000 0.884 461 E CA -0.695 55.799 56.400 0.157 0.000 0.766 461 E CB 1.314 31.092 29.700 0.130 0.000 1.196 461 E HN 0.419 nan 8.360 nan 0.000 0.416 462 I N 4.305 124.922 120.570 0.078 0.000 2.578 462 I HA 0.001 4.170 4.170 -0.001 0.000 0.286 462 I C 1.373 177.540 176.117 0.083 0.000 1.126 462 I CA 0.455 61.798 61.300 0.072 0.000 1.380 462 I CB 0.007 38.043 38.000 0.060 0.000 1.408 462 I HN 0.724 nan 8.210 nan 0.000 0.532 463 A N 6.845 129.720 122.820 0.092 0.000 2.067 463 A HA -0.078 4.242 4.320 -0.001 0.000 0.219 463 A C 1.009 178.637 177.584 0.074 0.000 1.158 463 A CA 0.604 52.691 52.037 0.083 0.000 0.661 463 A CB -0.424 18.628 19.000 0.087 0.000 0.801 463 A HN 0.735 nan 8.150 nan 0.000 0.452 464 N N 1.244 119.994 118.700 0.083 0.000 2.468 464 N HA 0.200 4.939 4.740 -0.001 0.000 0.265 464 N C -0.129 175.412 175.510 0.053 0.000 1.199 464 N CA 0.518 53.610 53.050 0.071 0.000 0.928 464 N CB 0.706 39.246 38.487 0.088 0.000 1.059 464 N HN 0.217 nan 8.380 nan 0.000 0.467 482 P HA 0.404 nan 4.420 nan 0.000 0.287 482 P C -1.251 176.098 177.300 0.081 0.000 1.307 482 P CA -0.159 62.962 63.100 0.036 0.000 0.777 482 P CB 0.876 32.585 31.700 0.015 0.000 0.883 483 H N 3.097 122.133 119.070 -0.057 0.000 2.519 483 H HA 0.483 5.038 4.556 -0.001 0.000 0.316 483 H C -0.740 174.503 175.328 -0.142 0.000 1.065 483 H CA -0.493 55.513 56.048 -0.070 0.000 1.264 483 H CB 0.438 30.172 29.762 -0.047 0.000 1.413 483 H HN 0.319 nan 8.280 nan 0.000 0.465 484 L N 3.466 124.429 121.223 -0.433 0.000 2.333 484 L HA 0.766 5.105 4.340 -0.001 0.000 0.269 484 L C -0.334 176.056 176.870 -0.800 0.000 1.010 484 L CA -1.311 53.147 54.840 -0.636 0.000 0.818 484 L CB 1.959 43.643 42.059 -0.625 0.000 1.306 484 L HN 0.690 nan 8.230 nan 0.000 0.430 485 A N 1.731 124.051 122.820 -0.834 0.000 2.343 485 A HA 0.758 5.078 4.320 -0.001 0.000 0.316 485 A C -1.701 175.454 177.584 -0.714 0.000 1.104 485 A CA -0.332 51.352 52.037 -0.588 0.000 0.768 485 A CB 0.851 19.666 19.000 -0.308 0.000 1.213 485 A HN 0.558 nan 8.150 nan 0.000 0.456 486 Y N 0.627 120.816 120.300 -0.184 0.000 2.377 486 Y HA 0.631 5.180 4.550 -0.001 0.000 0.339 486 Y C 0.580 176.413 175.900 -0.111 0.000 1.011 486 Y CA -0.277 57.717 58.100 -0.178 0.000 1.093 486 Y CB 2.701 41.087 38.460 -0.123 0.000 1.201 486 Y HN 0.581 nan 8.280 nan 0.000 0.455 487 T N 3.256 117.832 114.554 0.036 0.000 2.886 487 T HA 0.375 4.725 4.350 -0.001 0.000 0.292 487 T C -1.337 173.315 174.700 -0.079 0.000 1.012 487 T CA -0.953 61.113 62.100 -0.057 0.000 0.982 487 T CB 1.651 70.443 68.868 -0.128 0.000 1.018 487 T HN 0.569 nan 8.240 nan 0.000 0.451 488 Q N 2.300 121.997 119.800 -0.171 0.000 2.292 488 Q HA 0.517 4.856 4.340 -0.001 0.000 0.270 488 Q C -1.722 174.162 176.000 -0.193 0.000 1.024 488 Q CA -0.683 55.072 55.803 -0.079 0.000 0.768 488 Q CB 1.031 29.799 28.738 0.051 0.000 1.250 488 Q HN 0.573 nan 8.270 nan 0.000 0.447 489 F N 4.648 124.625 119.950 0.044 0.000 2.391 489 F HA 0.445 4.972 4.527 -0.000 0.000 0.359 489 F C 0.037 175.927 175.800 0.150 0.000 1.122 489 F CA -0.495 57.540 58.000 0.059 0.000 1.120 489 F CB 0.804 39.698 39.000 -0.176 0.000 1.142 489 F HN 0.380 nan 8.300 nan 0.000 0.483 490 I N 3.585 124.329 120.570 0.290 0.000 2.371 490 I HA 0.224 4.394 4.170 -0.001 0.000 0.282 490 I C -0.470 175.793 176.117 0.245 0.000 1.031 490 I CA -0.263 61.180 61.300 0.238 0.000 1.180 490 I CB 1.092 39.180 38.000 0.147 0.000 1.336 490 I HN 0.500 nan 8.210 nan 0.000 0.467 491 T N 3.351 118.073 114.554 0.279 0.000 2.929 491 T HA 0.155 4.504 4.350 -0.001 0.000 0.331 491 T C 0.226 175.103 174.700 0.295 0.000 1.120 491 T CA -0.300 61.947 62.100 0.245 0.000 0.973 491 T CB 0.681 69.665 68.868 0.194 0.000 1.036 491 T HN 0.537 nan 8.240 nan 0.000 0.502 492 T N 3.989 118.677 114.554 0.223 0.000 2.856 492 T HA 0.640 4.989 4.350 -0.001 0.000 0.292 492 T C -0.808 174.051 174.700 0.265 0.000 0.980 492 T CA -0.390 61.823 62.100 0.188 0.000 1.091 492 T CB 0.148 69.070 68.868 0.091 0.000 0.936 492 T HN 0.629 nan 8.240 nan 0.000 0.503 493 Y N 1.136 121.466 120.300 0.050 0.000 2.750 493 Y HA 0.499 5.048 4.550 -0.001 0.000 0.335 493 Y C -1.143 174.799 175.900 0.071 0.000 1.252 493 Y CA -1.365 56.763 58.100 0.047 0.000 1.064 493 Y CB 1.199 39.669 38.460 0.017 0.000 1.321 493 Y HN 0.533 nan 8.280 nan 0.000 0.451 494 Q N 2.531 122.420 119.800 0.148 0.000 2.368 494 Q HA 0.214 4.554 4.340 -0.001 0.000 0.256 494 Q C -1.038 175.097 176.000 0.226 0.000 0.980 494 Q CA -0.733 55.129 55.803 0.099 0.000 0.887 494 Q CB 0.529 29.375 28.738 0.179 0.000 1.221 494 Q HN 0.784 nan 8.270 nan 0.000 0.458 495 H N 2.294 121.343 119.070 -0.035 0.000 2.707 495 H HA 0.079 4.635 4.556 -0.001 0.000 0.359 495 H C 0.308 175.712 175.328 0.126 0.000 1.113 495 H CA 0.586 56.680 56.048 0.076 0.000 1.422 495 H CB 1.517 31.227 29.762 -0.086 0.000 1.443 495 H HN 0.734 nan 8.280 nan 0.000 0.591 496 S N 2.045 117.812 115.700 0.111 0.000 2.442 496 S HA -0.163 4.307 4.470 -0.001 0.000 0.236 496 S C 2.018 176.868 174.600 0.417 0.000 1.007 496 S CA 1.197 59.584 58.200 0.313 0.000 0.965 496 S CB -0.090 63.249 63.200 0.233 0.000 0.773 496 S HN 0.741 nan 8.310 nan 0.000 0.504 497 S N 0.508 116.442 115.700 0.390 0.000 2.555 497 S HA 0.261 4.731 4.470 -0.001 0.000 0.230 497 S C 1.423 176.051 174.600 0.046 0.000 0.978 497 S CA 0.616 58.696 58.200 -0.200 0.000 0.934 497 S CB -0.271 62.312 63.200 -1.028 0.000 0.766 497 S HN 0.743 nan 8.310 nan 0.000 0.533 498 G N 0.886 109.763 108.800 0.129 0.000 2.140 498 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.211 498 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.211 498 G C 0.008 174.921 174.900 0.023 0.000 1.013 498 G CA 0.020 45.174 45.100 0.090 0.000 0.705 498 G HN 1.057 nan 8.290 nan 0.000 0.508 499 T N -1.558 112.988 114.554 -0.014 0.000 2.908 499 T HA 0.687 5.037 4.350 -0.001 0.000 0.290 499 T C -0.446 174.206 174.700 -0.080 0.000 1.034 499 T CA -1.038 61.023 62.100 -0.065 0.000 1.010 499 T CB 2.158 70.944 68.868 -0.137 0.000 1.068 499 T HN 0.086 nan 8.240 nan 0.000 0.481 500 N N 1.419 120.064 118.700 -0.092 0.000 2.479 500 N HA 0.486 5.225 4.740 -0.001 0.000 0.285 500 N C -0.218 175.178 175.510 -0.191 0.000 1.075 500 N CA -0.544 52.424 53.050 -0.137 0.000 0.967 500 N CB 1.085 39.526 38.487 -0.076 0.000 1.137 500 N HN 0.508 nan 8.380 nan 0.000 0.472 501 R N 1.309 121.600 120.500 -0.348 0.000 2.888 501 R HA 0.648 4.988 4.340 -0.001 0.000 0.264 501 R C -0.563 175.632 176.300 -0.174 0.000 1.045 501 R CA -0.841 55.089 56.100 -0.283 0.000 0.962 501 R CB 1.849 31.926 30.300 -0.371 0.000 1.210 501 R HN 0.424 nan 8.270 nan 0.000 0.479 502 I N 1.605 122.194 120.570 0.031 0.000 2.500 502 I HA 0.321 4.490 4.170 -0.001 0.000 0.286 502 I C -0.614 175.665 176.117 0.271 0.000 1.063 502 I CA -0.877 60.517 61.300 0.157 0.000 1.062 502 I CB 2.063 40.133 38.000 0.117 0.000 1.223 502 I HN 0.265 nan 8.210 nan 0.000 0.435 503 R N 5.198 125.885 120.500 0.311 0.000 2.265 503 R HA 0.665 5.005 4.340 -0.001 0.000 0.319 503 R C -1.463 175.014 176.300 0.295 0.000 1.006 503 R CA -0.275 55.998 56.100 0.288 0.000 0.880 503 R CB 1.219 31.693 30.300 0.290 0.000 1.077 503 R HN 0.420 nan 8.270 nan 0.000 0.454 504 V N 3.650 123.725 119.914 0.268 0.000 2.604 504 V HA 0.564 4.684 4.120 -0.001 0.000 0.305 504 V C -0.564 175.680 176.094 0.250 0.000 1.043 504 V CA -0.610 61.856 62.300 0.277 0.000 0.888 504 V CB 2.429 34.425 31.823 0.289 0.000 0.995 504 V HN 0.863 nan 8.190 nan 0.000 0.429 505 T N 2.755 117.487 114.554 0.296 0.000 2.921 505 T HA 0.593 4.942 4.350 -0.001 0.000 0.297 505 T C -0.544 174.338 174.700 0.302 0.000 1.013 505 T CA -0.425 61.839 62.100 0.273 0.000 0.990 505 T CB 1.704 70.708 68.868 0.226 0.000 1.023 505 T HN 0.716 nan 8.240 nan 0.000 0.447 506 T N 2.366 117.084 114.554 0.274 0.000 2.861 506 T HA 0.755 5.104 4.350 -0.001 0.000 0.287 506 T C -0.285 174.618 174.700 0.339 0.000 1.003 506 T CA -0.787 61.487 62.100 0.290 0.000 0.977 506 T CB 1.485 70.539 68.868 0.311 0.000 0.996 506 T HN 0.635 nan 8.240 nan 0.000 0.448 507 V N -0.849 119.198 119.914 0.221 0.000 3.040 507 V HA 1.064 5.184 4.120 -0.001 0.000 0.312 507 V C -0.834 175.107 176.094 -0.256 0.000 1.115 507 V CA -1.458 60.887 62.300 0.075 0.000 0.998 507 V CB 1.597 33.529 31.823 0.183 0.000 1.042 507 V HN 1.185 nan 8.190 nan 0.000 0.433 508 A N 2.197 124.697 122.820 -0.533 0.000 2.393 508 A HA 0.873 5.193 4.320 -0.001 0.000 0.306 508 A C -0.781 176.369 177.584 -0.724 0.000 1.050 508 A CA -0.744 50.822 52.037 -0.785 0.000 0.724 508 A CB 1.301 19.663 19.000 -1.063 0.000 1.248 508 A HN 0.915 nan 8.150 nan 0.000 0.424 509 N N 1.550 119.715 118.700 -0.891 0.000 2.310 509 N HA 0.216 4.956 4.740 -0.001 0.000 0.292 509 N C -1.238 173.747 175.510 -0.875 0.000 1.049 509 N CA -0.436 51.995 53.050 -1.032 0.000 0.849 509 N CB 2.379 39.719 38.487 -1.911 0.000 1.532 509 N HN 0.844 nan 8.380 nan 0.000 0.479 510 Q N 1.977 121.410 119.800 -0.612 0.000 2.314 510 Q HA 0.312 4.652 4.340 -0.001 0.000 0.258 510 Q C -1.179 174.625 176.000 -0.327 0.000 0.954 510 Q CA -0.253 55.308 55.803 -0.404 0.000 0.890 510 Q CB 0.697 29.288 28.738 -0.244 0.000 1.210 510 Q HN 0.398 nan 8.270 nan 0.000 0.410 511 L N 4.762 125.858 121.223 -0.212 0.000 2.296 511 L HA 0.471 4.810 4.340 -0.001 0.000 0.286 511 L C -0.665 176.222 176.870 0.029 0.000 1.023 511 L CA 0.026 54.838 54.840 -0.047 0.000 0.812 511 L CB 1.389 43.461 42.059 0.023 0.000 1.223 511 L HN 0.602 nan 8.230 nan 0.000 0.421 512 L N 4.197 125.442 121.223 0.036 0.000 2.323 512 L HA 0.656 4.996 4.340 -0.001 0.000 0.265 512 L C -2.244 174.657 176.870 0.051 0.000 1.012 512 L CA -2.002 52.861 54.840 0.038 0.000 0.820 512 L CB 2.391 44.461 42.059 0.018 0.000 1.334 512 L HN 0.346 nan 8.230 nan 0.000 0.427 513 P HA -0.024 nan 4.420 nan 0.000 0.270 513 P C -0.702 176.654 177.300 0.093 0.000 1.223 513 P CA -0.254 62.894 63.100 0.079 0.000 0.785 513 P CB 0.319 32.058 31.700 0.066 0.000 0.923 514 F N 1.690 121.631 119.950 -0.015 0.000 2.612 514 F HA 0.246 4.772 4.527 -0.001 0.000 0.389 514 F C 1.513 177.295 175.800 -0.030 0.000 1.055 514 F CA 2.067 60.049 58.000 -0.030 0.000 1.232 514 F CB -0.420 38.558 39.000 -0.036 0.000 1.044 514 F HN 0.652 nan 8.300 nan 0.000 0.560 515 G N 2.819 111.188 108.800 -0.719 0.000 2.234 515 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.235 515 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.235 515 G C 0.370 175.142 174.900 -0.214 0.000 0.997 515 G CA -0.002 44.789 45.100 -0.514 0.000 0.623 515 G HN 0.872 nan 8.290 nan 0.000 0.514 516 T N 3.057 117.541 114.554 -0.115 0.000 2.871 516 T HA 0.360 4.709 4.350 -0.001 0.000 0.296 516 T C -0.616 174.075 174.700 -0.015 0.000 0.998 516 T CA 0.261 62.336 62.100 -0.042 0.000 1.162 516 T CB 1.494 70.356 68.868 -0.009 0.000 0.947 516 T HN 0.108 nan 8.240 nan 0.000 0.536 517 P HA -0.138 nan 4.420 nan 0.000 0.217 517 P C 1.549 178.906 177.300 0.094 0.000 1.148 517 P CA 0.977 64.104 63.100 0.045 0.000 0.828 517 P CB 0.024 31.741 31.700 0.028 0.000 0.783 518 A N -0.387 122.477 122.820 0.073 0.000 1.892 518 A HA -0.247 4.073 4.320 -0.001 0.000 0.218 518 A C 2.159 179.838 177.584 0.157 0.000 1.188 518 A CA 1.804 53.896 52.037 0.092 0.000 0.631 518 A CB -1.668 17.364 19.000 0.053 0.000 0.822 518 A HN 0.122 nan 8.150 nan 0.000 0.447 519 I N -0.238 120.424 120.570 0.153 0.000 2.069 519 I HA -0.366 3.804 4.170 -0.001 0.000 0.237 519 I C 2.969 179.343 176.117 0.429 0.000 1.053 519 I CA 1.507 62.944 61.300 0.229 0.000 1.311 519 I CB -0.620 37.441 38.000 0.102 0.000 1.030 519 I HN 0.367 nan 8.210 nan 0.000 0.398 520 A N 0.521 123.608 122.820 0.444 0.000 2.032 520 A HA -0.165 4.155 4.320 -0.001 0.000 0.221 520 A C 2.428 180.347 177.584 0.559 0.000 1.165 520 A CA 1.999 54.411 52.037 0.626 0.000 0.645 520 A CB -0.747 18.592 19.000 0.565 0.000 0.807 520 A HN 0.529 nan 8.150 nan 0.000 0.453 521 A N -0.086 122.959 122.820 0.375 0.000 2.021 521 A HA 0.078 4.397 4.320 -0.001 0.000 0.216 521 A C 2.233 179.991 177.584 0.291 0.000 1.163 521 A CA 1.550 53.757 52.037 0.282 0.000 0.676 521 A CB -0.631 18.473 19.000 0.173 0.000 0.818 521 A HN 0.990 nan 8.150 nan 0.000 0.453 522 S N -1.227 114.684 115.700 0.351 0.000 2.603 522 S HA 0.136 4.606 4.470 -0.001 0.000 0.220 522 S C 0.251 175.091 174.600 0.399 0.000 0.967 522 S CA -0.425 58.005 58.200 0.383 0.000 0.920 522 S CB -0.697 62.701 63.200 0.329 0.000 0.773 522 S HN 0.301 nan 8.310 nan 0.000 0.529 523 F N 3.534 123.540 119.950 0.094 0.000 2.504 523 F HA 0.349 4.875 4.527 -0.001 0.000 0.369 523 F C 0.163 175.751 175.800 -0.353 0.000 1.082 523 F CA -1.060 56.661 58.000 -0.466 0.000 1.216 523 F CB 0.553 38.902 39.000 -1.084 0.000 1.108 523 F HN 0.060 nan 8.300 nan 0.000 0.554 524 D N 6.263 125.867 120.400 -1.326 0.000 2.485 524 D HA 0.065 4.705 4.640 -0.001 0.000 0.229 524 D C 0.826 176.298 176.300 -1.379 0.000 1.101 524 D CA -0.223 52.908 54.000 -1.448 0.000 0.906 524 D CB 0.940 40.760 40.800 -1.634 0.000 1.019 524 D HN 0.799 nan 8.370 nan 0.000 0.516 525 Q N 1.878 121.096 119.800 -0.970 0.000 2.291 525 Q HA -0.123 4.216 4.340 -0.001 0.000 0.205 525 Q C 0.812 176.690 176.000 -0.204 0.000 0.970 525 Q CA 1.036 56.517 55.803 -0.536 0.000 0.876 525 Q CB 0.143 28.960 28.738 0.132 0.000 0.935 525 Q HN 0.484 nan 8.270 nan 0.000 0.455 526 E N 1.286 121.328 120.200 -0.262 0.000 2.051 526 E HA -0.093 4.257 4.350 -0.001 0.000 0.189 526 E C 2.153 178.530 176.600 -0.371 0.000 0.979 526 E CA 0.820 57.025 56.400 -0.324 0.000 0.803 526 E CB -0.104 29.465 29.700 -0.219 0.000 0.761 526 E HN 0.496 nan 8.360 nan 0.000 0.451 527 A N 1.859 124.420 122.820 -0.430 0.000 1.877 527 A HA -0.152 4.168 4.320 -0.001 0.000 0.216 527 A C 2.451 179.851 177.584 -0.306 0.000 1.186 527 A CA 1.841 53.646 52.037 -0.387 0.000 0.620 527 A CB -0.799 17.926 19.000 -0.458 0.000 0.822 527 A HN 0.286 nan 8.150 nan 0.000 0.443 528 A N -0.125 122.445 122.820 -0.416 0.000 1.892 528 A HA 0.058 4.377 4.320 -0.001 0.000 0.218 528 A C 2.526 180.188 177.584 0.129 0.000 1.188 528 A CA 2.512 54.423 52.037 -0.211 0.000 0.631 528 A CB -1.117 17.617 19.000 -0.443 0.000 0.822 528 A HN 1.164 nan 8.150 nan 0.000 0.447 529 A N -0.807 122.108 122.820 0.159 0.000 1.933 529 A HA 0.027 4.346 4.320 -0.001 0.000 0.218 529 A C 2.239 179.869 177.584 0.077 0.000 1.175 529 A CA 1.799 53.931 52.037 0.158 0.000 0.628 529 A CB -0.842 18.071 19.000 -0.144 0.000 0.814 529 A HN 0.410 nan 8.150 nan 0.000 0.444 530 V N 0.249 120.141 119.914 -0.037 0.000 2.307 530 V HA -0.210 3.910 4.120 -0.001 0.000 0.245 530 V C 2.522 178.668 176.094 0.087 0.000 1.045 530 V CA 1.710 64.011 62.300 0.002 0.000 1.024 530 V CB -0.708 31.008 31.823 -0.178 0.000 0.651 530 V HN 0.552 nan 8.190 nan 0.000 0.449 531 L N -1.026 120.242 121.223 0.076 0.000 2.093 531 L HA -0.160 4.180 4.340 -0.001 0.000 0.208 531 L C 2.605 179.700 176.870 0.375 0.000 1.085 531 L CA 1.226 56.198 54.840 0.221 0.000 0.755 531 L CB -0.567 41.629 42.059 0.230 0.000 0.904 531 L HN 0.329 nan 8.230 nan 0.000 0.435 532 M N -0.366 119.445 119.600 0.351 0.000 2.229 532 M HA -0.109 4.371 4.480 -0.001 0.000 0.264 532 M C 2.494 179.067 176.300 0.455 0.000 1.063 532 M CA 1.673 57.234 55.300 0.436 0.000 1.114 532 M CB -1.177 31.663 32.600 0.399 0.000 1.387 532 M HN 0.245 nan 8.290 nan 0.000 0.420 533 A N -0.433 122.624 122.820 0.396 0.000 1.929 533 A HA -0.129 4.191 4.320 -0.001 0.000 0.216 533 A C 2.323 180.209 177.584 0.503 0.000 1.176 533 A CA 1.370 53.666 52.037 0.433 0.000 0.628 533 A CB -0.482 18.811 19.000 0.488 0.000 0.816 533 A HN 0.336 nan 8.150 nan 0.000 0.444 534 R N 0.008 120.793 120.500 0.475 0.000 2.080 534 R HA -0.046 4.294 4.340 -0.001 0.000 0.236 534 R C 1.854 178.327 176.300 0.288 0.000 1.137 534 R CA 1.864 58.178 56.100 0.357 0.000 0.943 534 R CB -0.572 29.860 30.300 0.221 0.000 0.846 534 R HN 0.568 nan 8.270 nan 0.000 0.431 535 I N 0.044 120.761 120.570 0.245 0.000 2.335 535 I HA -0.285 3.884 4.170 -0.001 0.000 0.251 535 I C 2.251 178.396 176.117 0.046 0.000 1.129 535 I CA 1.292 62.630 61.300 0.064 0.000 1.402 535 I CB -0.318 37.673 38.000 -0.015 0.000 1.069 535 I HN 0.306 nan 8.210 nan 0.000 0.424 536 A N 0.212 123.156 122.820 0.207 0.000 1.898 536 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 536 A C 2.406 180.076 177.584 0.143 0.000 1.181 536 A CA 1.459 53.606 52.037 0.184 0.000 0.620 536 A CB -0.822 18.382 19.000 0.340 0.000 0.819 536 A HN 0.225 nan 8.150 nan 0.000 0.442 537 V N -0.407 119.639 119.914 0.220 0.000 2.427 537 V HA -0.256 3.863 4.120 -0.001 0.000 0.248 537 V C 2.465 178.653 176.094 0.157 0.000 1.051 537 V CA 2.449 64.875 62.300 0.211 0.000 1.048 537 V CB -0.979 31.010 31.823 0.277 0.000 0.666 537 V HN 0.846 nan 8.190 nan 0.000 0.456 538 H N 0.791 119.902 119.070 0.069 0.000 2.321 538 H HA -0.152 4.404 4.556 -0.001 0.000 0.300 538 H C 2.278 177.595 175.328 -0.019 0.000 1.087 538 H CA 2.172 58.235 56.048 0.024 0.000 1.319 538 H CB -0.069 29.688 29.762 -0.010 0.000 1.379 538 H HN 0.327 nan 8.280 nan 0.000 0.501 539 K N -0.165 120.145 120.400 -0.150 0.000 1.991 539 K HA -0.113 4.207 4.320 -0.001 0.000 0.212 539 K C 2.415 178.921 176.600 -0.157 0.000 1.049 539 K CA 1.261 57.409 56.287 -0.232 0.000 0.932 539 K CB -0.332 32.017 32.500 -0.253 0.000 0.717 539 K HN 0.373 nan 8.250 nan 0.000 0.441 540 A N 1.048 123.829 122.820 -0.065 0.000 2.076 540 A HA -0.209 4.111 4.320 -0.001 0.000 0.220 540 A C 1.870 179.445 177.584 -0.016 0.000 1.160 540 A CA 1.732 53.757 52.037 -0.020 0.000 0.653 540 A CB -0.308 18.710 19.000 0.029 0.000 0.801 540 A HN 0.248 nan 8.150 nan 0.000 0.455 541 E N -0.876 119.302 120.200 -0.038 0.000 2.478 541 E HA 0.081 4.430 4.350 -0.001 0.000 0.194 541 E C 0.331 176.892 176.600 -0.066 0.000 1.045 541 E CA 0.537 56.930 56.400 -0.012 0.000 0.868 541 E CB 0.126 29.838 29.700 0.022 0.000 0.885 541 E HN 0.545 nan 8.360 nan 0.000 0.505 548 V N 1.658 121.640 119.914 0.113 0.000 2.649 548 V HA 0.055 4.174 4.120 -0.001 0.000 0.248 548 V C 2.380 178.640 176.094 0.277 0.000 1.054 548 V CA 0.946 63.352 62.300 0.177 0.000 1.073 548 V CB -0.003 31.880 31.823 0.100 0.000 0.699 548 V HN 0.184 nan 8.190 nan 0.000 0.463 549 I N -0.326 120.339 120.570 0.157 0.000 2.439 549 I HA -0.159 4.011 4.170 -0.001 0.000 0.251 549 I C 2.613 178.806 176.117 0.127 0.000 1.139 549 I CA 1.121 62.493 61.300 0.120 0.000 1.438 549 I CB -0.366 37.662 38.000 0.047 0.000 1.085 549 I HN 0.208 nan 8.210 nan 0.000 0.427 550 R N 0.447 121.027 120.500 0.134 0.000 2.092 550 R HA -0.239 4.101 4.340 -0.001 0.000 0.231 550 R C 2.264 178.658 176.300 0.156 0.000 1.119 550 R CA 1.750 57.919 56.100 0.115 0.000 0.970 550 R CB -0.334 30.029 30.300 0.106 0.000 0.864 550 R HN 0.444 nan 8.270 nan 0.000 0.440 551 W N 0.440 121.766 121.300 0.044 0.000 2.381 551 W HA -0.158 4.502 4.660 -0.001 0.000 0.301 551 W C 1.420 177.990 176.519 0.086 0.000 1.205 551 W CA 0.706 58.087 57.345 0.060 0.000 1.285 551 W CB -0.296 29.198 29.460 0.056 0.000 1.133 551 W HN 0.068 nan 8.180 nan 0.000 0.521 552 L N 1.125 122.361 121.223 0.022 0.000 2.017 552 L HA -0.206 4.133 4.340 -0.001 0.000 0.208 552 L C 2.019 178.825 176.870 -0.107 0.000 1.073 552 L CA 2.158 56.907 54.840 -0.151 0.000 0.745 552 L CB -1.456 40.641 42.059 0.063 0.000 0.894 552 L HN -0.067 nan 8.230 nan 0.000 0.432 553 D N -0.965 119.427 120.400 -0.012 0.000 2.117 553 D HA -0.149 4.491 4.640 -0.001 0.000 0.197 553 D C 2.382 178.645 176.300 -0.062 0.000 0.987 553 D CA 0.984 54.982 54.000 -0.005 0.000 0.829 553 D CB -0.020 40.780 40.800 0.001 0.000 0.961 553 D HN 0.243 nan 8.370 nan 0.000 0.460 554 R N 0.118 120.571 120.500 -0.079 0.000 2.073 554 R HA -0.095 4.245 4.340 -0.001 0.000 0.234 554 R C 2.475 178.715 176.300 -0.100 0.000 1.134 554 R CA 1.882 57.936 56.100 -0.076 0.000 0.952 554 R CB -0.662 29.617 30.300 -0.035 0.000 0.850 554 R HN 0.319 nan 8.270 nan 0.000 0.433 555 T N 0.548 114.964 114.554 -0.230 0.000 2.684 555 T HA -0.187 4.163 4.350 -0.001 0.000 0.267 555 T C 1.864 176.555 174.700 -0.014 0.000 1.036 555 T CA 1.232 63.218 62.100 -0.191 0.000 1.148 555 T CB -0.461 68.133 68.868 -0.457 0.000 0.863 555 T HN 0.097 nan 8.240 nan 0.000 0.436 556 L N 1.314 122.561 121.223 0.041 0.000 1.990 556 L HA 0.033 4.372 4.340 -0.001 0.000 0.213 556 L C 2.470 179.407 176.870 0.111 0.000 1.072 556 L CA 1.513 56.468 54.840 0.191 0.000 0.755 556 L CB -0.782 41.399 42.059 0.203 0.000 0.889 556 L HN 0.356 nan 8.230 nan 0.000 0.432 557 I N -0.710 119.869 120.570 0.015 0.000 2.226 557 I HA -0.319 3.851 4.170 -0.001 0.000 0.245 557 I C 2.576 178.710 176.117 0.029 0.000 1.100 557 I CA 1.546 62.834 61.300 -0.019 0.000 1.374 557 I CB -0.474 37.476 38.000 -0.084 0.000 1.057 557 I HN 0.337 nan 8.210 nan 0.000 0.413 558 K N 0.890 121.312 120.400 0.037 0.000 2.097 558 K HA -0.195 4.125 4.320 -0.001 0.000 0.205 558 K C 2.203 178.872 176.600 0.115 0.000 1.050 558 K CA 1.143 57.468 56.287 0.064 0.000 0.938 558 K CB -0.014 32.520 32.500 0.057 0.000 0.718 558 K HN 0.116 nan 8.250 nan 0.000 0.442 559 L N 0.938 122.244 121.223 0.138 0.000 2.046 559 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 559 L C 2.107 179.114 176.870 0.228 0.000 1.077 559 L CA 1.675 56.638 54.840 0.205 0.000 0.747 559 L CB -0.539 41.594 42.059 0.124 0.000 0.896 559 L HN 0.227 nan 8.230 nan 0.000 0.432 560 C N -0.603 118.817 119.300 0.200 0.000 2.446 560 C HA -0.131 4.329 4.460 -0.001 0.000 0.277 560 C C 2.684 177.796 174.990 0.203 0.000 1.275 560 C CA 0.725 59.883 59.018 0.234 0.000 1.727 560 C CB -0.885 27.064 27.740 0.350 0.000 2.010 560 C HN 0.608 nan 8.230 nan 0.000 0.486 561 Q N 0.787 120.682 119.800 0.157 0.000 2.112 561 Q HA -0.277 4.062 4.340 -0.001 0.000 0.206 561 Q C 2.241 178.341 176.000 0.168 0.000 0.987 561 Q CA 1.850 57.761 55.803 0.180 0.000 0.858 561 Q CB -0.236 28.568 28.738 0.110 0.000 0.905 561 Q HN 0.711 nan 8.270 nan 0.000 0.420 562 K N -0.132 120.293 120.400 0.043 0.000 2.044 562 K HA -0.127 4.193 4.320 -0.001 0.000 0.204 562 K C 1.397 177.731 176.600 -0.444 0.000 1.049 562 K CA 1.109 57.283 56.287 -0.187 0.000 0.945 562 K CB 0.040 32.393 32.500 -0.245 0.000 0.724 562 K HN 0.147 nan 8.250 nan 0.000 0.440 563 Y N 0.375 120.568 120.300 -0.178 0.000 2.510 563 Y HA 0.314 4.863 4.550 -0.001 0.000 0.273 563 Y C 0.788 176.448 175.900 -0.401 0.000 1.119 563 Y CA -0.083 57.761 58.100 -0.426 0.000 1.286 563 Y CB 0.384 38.273 38.460 -0.951 0.000 1.061 563 Y HN 0.065 nan 8.280 nan 0.000 0.542 564 A N 0.414 123.165 122.820 -0.115 0.000 2.371 564 A HA 0.226 4.546 4.320 -0.001 0.000 0.257 564 A C -0.425 177.108 177.584 -0.086 0.000 1.089 564 A CA -0.471 51.440 52.037 -0.209 0.000 0.794 564 A CB 0.106 18.872 19.000 -0.390 0.000 1.029 564 A HN 0.151 nan 8.150 nan 0.000 0.488 565 D N 0.632 120.925 120.400 -0.178 0.000 2.168 565 D HA 0.582 5.221 4.640 -0.001 0.000 0.246 565 D C -0.794 175.463 176.300 -0.072 0.000 1.050 565 D CA 0.707 54.585 54.000 -0.204 0.000 0.857 565 D CB 1.347 42.045 40.800 -0.169 0.000 1.169 565 D HN 0.560 nan 8.370 nan 0.000 0.453 566 Y N -1.301 118.943 120.300 -0.094 0.000 2.852 566 Y HA 0.339 4.889 4.550 -0.001 0.000 0.350 566 Y C -1.771 174.123 175.900 -0.010 0.000 1.272 566 Y CA -1.329 56.752 58.100 -0.031 0.000 1.086 566 Y CB 0.806 39.288 38.460 0.037 0.000 1.408 566 Y HN 0.022 nan 8.280 nan 0.000 0.447 567 N N 1.471 120.315 118.700 0.240 0.000 2.407 567 N HA 0.290 5.029 4.740 -0.001 0.000 0.277 567 N C -1.435 174.242 175.510 0.279 0.000 0.995 567 N CA -0.925 52.208 53.050 0.139 0.000 0.903 567 N CB 2.226 40.761 38.487 0.080 0.000 1.218 567 N HN 0.574 nan 8.380 nan 0.000 0.487 568 K N 0.419 120.958 120.400 0.232 0.000 2.586 568 K HA -0.171 4.149 4.320 -0.001 0.000 0.280 568 K C 0.143 176.823 176.600 0.133 0.000 0.972 568 K CA 0.711 57.133 56.287 0.225 0.000 1.040 568 K CB 0.182 32.759 32.500 0.129 0.000 0.870 568 K HN 0.640 nan 8.250 nan 0.000 0.497 569 D N 0.844 121.299 120.400 0.092 0.000 2.811 569 D HA -0.197 4.443 4.640 -0.001 0.000 0.231 569 D C -1.001 175.326 176.300 0.045 0.000 1.157 569 D CA 1.184 55.211 54.000 0.045 0.000 0.716 569 D CB -0.565 40.255 40.800 0.034 0.000 1.077 569 D HN 0.570 nan 8.370 nan 0.000 0.428 570 D N -1.870 118.572 120.400 0.069 0.000 2.468 570 D HA 0.267 4.906 4.640 -0.001 0.000 0.272 570 D C -1.834 174.509 176.300 0.071 0.000 1.221 570 D CA -1.871 52.167 54.000 0.065 0.000 0.860 570 D CB 1.079 41.927 40.800 0.081 0.000 1.190 570 D HN -0.031 nan 8.370 nan 0.000 0.509 571 P HA -0.208 nan 4.420 nan 0.000 0.216 571 P C 1.197 178.532 177.300 0.058 0.000 1.167 571 P CA 1.275 64.376 63.100 0.001 0.000 0.914 571 P CB 0.262 31.936 31.700 -0.043 0.000 0.793 572 Q N -0.542 119.286 119.800 0.046 0.000 2.576 572 Q HA -0.071 4.269 4.340 -0.001 0.000 0.218 572 Q C 1.627 177.685 176.000 0.097 0.000 0.983 572 Q CA 1.371 57.211 55.803 0.062 0.000 0.920 572 Q CB -1.043 27.716 28.738 0.034 0.000 0.973 572 Q HN 0.407 nan 8.270 nan 0.000 0.528 573 S N -1.611 114.167 115.700 0.130 0.000 2.540 573 S HA 0.097 4.566 4.470 -0.001 0.000 0.218 573 S C 0.304 175.015 174.600 0.185 0.000 0.977 573 S CA -0.725 57.554 58.200 0.132 0.000 0.918 573 S CB -0.259 63.013 63.200 0.119 0.000 0.806 573 S HN 0.226 nan 8.310 nan 0.000 0.496 574 F N 4.048 124.036 119.950 0.065 0.000 2.557 574 F HA 0.379 4.906 4.527 -0.001 0.000 0.384 574 F C 0.474 176.312 175.800 0.062 0.000 1.057 574 F CA -0.105 57.936 58.000 0.068 0.000 1.169 574 F CB 0.276 39.265 39.000 -0.019 0.000 1.070 574 F HN 0.084 nan 8.300 nan 0.000 0.554 575 R N 6.218 126.454 120.500 -0.439 0.000 2.621 575 R HA 0.555 4.894 4.340 -0.001 0.000 0.284 575 R C -1.961 174.076 176.300 -0.438 0.000 0.998 575 R CA -1.251 54.670 56.100 -0.298 0.000 0.895 575 R CB 1.960 32.193 30.300 -0.112 0.000 1.195 575 R HN 0.411 nan 8.270 nan 0.000 0.450 576 L N 2.148 123.224 121.223 -0.246 0.000 2.333 576 L HA 0.498 4.838 4.340 -0.001 0.000 0.280 576 L C 0.185 177.071 176.870 0.025 0.000 1.004 576 L CA -0.623 54.138 54.840 -0.132 0.000 0.820 576 L CB 1.565 43.641 42.059 0.028 0.000 1.247 576 L HN 0.882 nan 8.230 nan 0.000 0.416 577 A N 6.969 129.822 122.820 0.055 0.000 2.583 577 A HA 0.240 4.560 4.320 -0.001 0.000 0.231 577 A C -1.269 176.439 177.584 0.207 0.000 1.065 577 A CA -0.253 51.870 52.037 0.142 0.000 0.760 577 A CB -0.582 18.546 19.000 0.213 0.000 1.001 577 A HN 0.750 nan 8.150 nan 0.000 0.509 578 P HA -0.209 nan 4.420 nan 0.000 0.218 578 P C 0.685 178.099 177.300 0.189 0.000 1.146 578 P CA 1.689 64.876 63.100 0.145 0.000 0.813 578 P CB -0.177 31.583 31.700 0.099 0.000 0.778 579 N N -1.123 117.721 118.700 0.240 0.000 2.461 579 N HA -0.050 4.690 4.740 -0.001 0.000 0.188 579 N C 0.901 176.537 175.510 0.211 0.000 1.134 579 N CA 0.354 53.538 53.050 0.224 0.000 0.878 579 N CB -0.680 37.926 38.487 0.198 0.000 0.972 579 N HN 0.182 nan 8.380 nan 0.000 0.456 580 F N 0.489 120.570 119.950 0.218 0.000 2.778 580 F HA 0.198 4.724 4.527 -0.001 0.000 0.314 580 F C 2.316 178.259 175.800 0.238 0.000 1.073 580 F CA 0.039 58.175 58.000 0.227 0.000 1.218 580 F CB 0.028 39.058 39.000 0.051 0.000 1.037 580 F HN 0.017 nan 8.300 nan 0.000 0.594 581 S N 0.338 116.249 115.700 0.351 0.000 2.440 581 S HA -0.190 4.280 4.470 -0.001 0.000 0.240 581 S C 1.733 176.446 174.600 0.189 0.000 1.014 581 S CA 1.297 59.644 58.200 0.244 0.000 0.980 581 S CB -0.661 62.639 63.200 0.167 0.000 0.775 581 S HN 0.464 nan 8.310 nan 0.000 0.499 582 L N -1.297 120.037 121.223 0.186 0.000 2.298 582 L HA 0.188 4.527 4.340 -0.001 0.000 0.209 582 L C 2.372 179.263 176.870 0.035 0.000 1.084 582 L CA 0.608 55.444 54.840 -0.007 0.000 0.816 582 L CB -0.551 41.467 42.059 -0.069 0.000 0.967 582 L HN 0.222 nan 8.230 nan 0.000 0.460 583 Y N 2.216 122.677 120.300 0.269 0.000 2.062 583 Y HA -0.268 4.282 4.550 -0.001 0.000 0.276 583 Y C -0.512 175.571 175.900 0.306 0.000 1.189 583 Y CA 2.353 60.690 58.100 0.395 0.000 1.130 583 Y CB -1.503 37.199 38.460 0.403 0.000 0.959 583 Y HN 0.127 nan 8.280 nan 0.000 0.499 584 P HA -0.223 nan 4.420 nan 0.000 0.216 584 P C 1.414 178.785 177.300 0.117 0.000 1.150 584 P CA 2.351 65.583 63.100 0.220 0.000 0.837 584 P CB -0.178 31.691 31.700 0.281 0.000 0.786 585 Q N -1.143 118.659 119.800 0.004 0.000 2.050 585 Q HA -0.157 4.182 4.340 -0.001 0.000 0.202 585 Q C 1.990 177.975 176.000 -0.025 0.000 0.980 585 Q CA 1.503 57.261 55.803 -0.075 0.000 0.840 585 Q CB -0.594 28.037 28.738 -0.179 0.000 0.898 585 Q HN 0.191 nan 8.270 nan 0.000 0.424 586 F N 0.099 120.061 119.950 0.021 0.000 2.126 586 F HA -0.247 4.280 4.527 -0.001 0.000 0.299 586 F C 2.520 178.229 175.800 -0.151 0.000 1.096 586 F CA 1.245 59.228 58.000 -0.028 0.000 1.255 586 F CB -0.296 38.645 39.000 -0.098 0.000 0.997 586 F HN 0.160 nan 8.300 nan 0.000 0.479 587 T N -0.605 113.889 114.554 -0.102 0.000 2.652 587 T HA -0.300 4.050 4.350 -0.001 0.000 0.267 587 T C 1.569 176.109 174.700 -0.267 0.000 1.039 587 T CA 1.697 63.698 62.100 -0.165 0.000 1.153 587 T CB -0.806 68.008 68.868 -0.090 0.000 0.863 587 T HN 0.333 nan 8.240 nan 0.000 0.428 588 Y N 0.929 120.890 120.300 -0.564 0.000 2.102 588 Y HA -0.312 4.238 4.550 -0.001 0.000 0.280 588 Y C 2.068 177.541 175.900 -0.712 0.000 1.178 588 Y CA 1.261 58.720 58.100 -1.069 0.000 1.146 588 Y CB -0.806 36.945 38.460 -1.182 0.000 0.968 588 Y HN 0.359 nan 8.280 nan 0.000 0.504 589 Y N -1.191 118.804 120.300 -0.509 0.000 2.220 589 Y HA -0.187 4.363 4.550 -0.001 0.000 0.291 589 Y C 2.370 178.025 175.900 -0.408 0.000 1.129 589 Y CA 0.832 58.647 58.100 -0.474 0.000 1.161 589 Y CB -0.429 37.940 38.460 -0.152 0.000 0.997 589 Y HN 0.294 nan 8.280 nan 0.000 0.522 590 L N 1.631 122.770 121.223 -0.140 0.000 1.989 590 L HA -0.250 4.089 4.340 -0.001 0.000 0.211 590 L C 2.482 179.167 176.870 -0.308 0.000 1.071 590 L CA 1.855 56.576 54.840 -0.198 0.000 0.749 590 L CB -0.693 41.321 42.059 -0.076 0.000 0.890 590 L HN 0.185 nan 8.230 nan 0.000 0.431 591 R N 0.513 120.838 120.500 -0.291 0.000 2.249 591 R HA -0.187 4.152 4.340 -0.001 0.000 0.230 591 R C 1.249 177.359 176.300 -0.318 0.000 1.121 591 R CA 1.593 57.535 56.100 -0.264 0.000 0.997 591 R CB -0.854 29.314 30.300 -0.220 0.000 0.867 591 R HN 0.605 nan 8.270 nan 0.000 0.465 592 R N 0.684 120.941 120.500 -0.406 0.000 2.662 592 R HA 0.213 4.552 4.340 -0.001 0.000 0.396 592 R C -0.226 175.863 176.300 -0.351 0.000 1.096 592 R CA -0.150 55.731 56.100 -0.364 0.000 1.081 592 R CB 0.543 30.596 30.300 -0.412 0.000 1.382 592 R HN 0.156 nan 8.270 nan 0.000 0.580 593 S N -0.353 115.077 115.700 -0.450 0.000 2.655 593 S HA 0.100 4.570 4.470 -0.001 0.000 0.265 593 S C 0.920 175.177 174.600 -0.572 0.000 1.240 593 S CA -0.812 57.050 58.200 -0.563 0.000 0.986 593 S CB 1.015 63.676 63.200 -0.898 0.000 0.985 593 S HN 0.342 nan 8.310 nan 0.000 0.562 594 Q N 0.036 119.512 119.800 -0.540 0.000 2.170 594 Q HA -0.104 4.236 4.340 -0.001 0.000 0.203 594 Q C 1.511 177.425 176.000 -0.143 0.000 0.976 594 Q CA 1.586 57.188 55.803 -0.335 0.000 0.858 594 Q CB -0.540 27.867 28.738 -0.551 0.000 0.907 594 Q HN 0.968 nan 8.270 nan 0.000 0.433 595 F N -2.654 117.227 119.950 -0.116 0.000 2.749 595 F HA 0.264 4.790 4.527 -0.001 0.000 0.300 595 F C 1.576 177.336 175.800 -0.067 0.000 1.103 595 F CA -0.111 57.864 58.000 -0.043 0.000 1.342 595 F CB -0.085 38.872 39.000 -0.072 0.000 1.098 595 F HN -0.149 nan 8.300 nan 0.000 0.586 596 L N -0.723 120.294 121.223 -0.345 0.000 2.435 596 L HA 0.248 4.588 4.340 -0.001 0.000 0.195 596 L C 0.607 177.388 176.870 -0.149 0.000 1.072 596 L CA 0.349 55.080 54.840 -0.180 0.000 0.833 596 L CB -0.083 41.837 42.059 -0.232 0.000 1.081 596 L HN -0.090 nan 8.230 nan 0.000 0.485 597 S N 1.273 116.856 115.700 -0.195 0.000 3.170 597 S HA 0.123 4.592 4.470 -0.001 0.000 0.257 597 S C 0.518 175.072 174.600 -0.078 0.000 1.284 597 S CA -0.359 57.766 58.200 -0.126 0.000 0.973 597 S CB 0.590 63.702 63.200 -0.147 0.000 1.330 597 S HN 0.186 nan 8.310 nan 0.000 0.493 598 V N 1.824 121.682 119.914 -0.092 0.000 3.102 598 V HA 0.240 4.359 4.120 -0.001 0.000 0.371 598 V C 0.992 177.071 176.094 -0.026 0.000 1.414 598 V CA -0.026 62.219 62.300 -0.092 0.000 1.565 598 V CB -1.646 29.982 31.823 -0.325 0.000 1.273 598 V HN 0.641 nan 8.190 nan 0.000 0.478 599 F N 4.135 124.032 119.950 -0.089 0.000 1.999 599 F HA -0.009 4.518 4.527 -0.001 0.000 0.293 599 F C 1.725 177.524 175.800 -0.001 0.000 1.173 599 F CA 2.008 59.975 58.000 -0.055 0.000 1.162 599 F CB -0.321 38.636 39.000 -0.072 0.000 0.981 599 F HN 0.570 nan 8.300 nan 0.000 0.479 600 N N 1.001 119.628 118.700 -0.121 0.000 3.111 600 N HA 0.119 4.859 4.740 -0.001 0.000 0.302 600 N C -1.512 173.985 175.510 -0.022 0.000 1.317 600 N CA -0.102 52.834 53.050 -0.190 0.000 1.151 600 N CB -0.754 37.727 38.487 -0.010 0.000 1.456 600 N HN 0.159 nan 8.380 nan 0.000 0.547 601 N N -0.539 118.170 118.700 0.016 0.000 2.229 601 N HA 0.374 5.113 4.740 -0.001 0.000 0.298 601 N C -1.115 174.466 175.510 0.118 0.000 1.114 601 N CA -0.713 52.410 53.050 0.123 0.000 0.776 601 N CB 1.853 40.464 38.487 0.207 0.000 1.501 601 N HN 0.366 nan 8.380 nan 0.000 0.474 602 S N 0.586 116.308 115.700 0.036 0.000 2.585 602 S HA 0.485 4.955 4.470 -0.001 0.000 0.277 602 S C -1.903 172.587 174.600 -0.183 0.000 1.241 602 S CA -1.097 57.057 58.200 -0.077 0.000 1.041 602 S CB 2.082 65.245 63.200 -0.062 0.000 0.987 602 S HN 0.281 nan 8.310 nan 0.000 0.512 603 P HA -0.158 nan 4.420 nan 0.000 0.218 603 P C 0.379 177.601 177.300 -0.130 0.000 1.152 603 P CA 1.508 64.295 63.100 -0.521 0.000 0.857 603 P CB -0.015 31.441 31.700 -0.406 0.000 0.787 604 D N -1.327 119.012 120.400 -0.102 0.000 2.194 604 D HA -0.094 4.546 4.640 -0.001 0.000 0.204 604 D C 1.889 178.138 176.300 -0.084 0.000 0.964 604 D CA 0.848 54.807 54.000 -0.068 0.000 0.846 604 D CB -0.450 40.298 40.800 -0.087 0.000 0.962 604 D HN 0.294 nan 8.370 nan 0.000 0.490 605 E N -0.117 119.998 120.200 -0.142 0.000 2.077 605 E HA -0.128 4.222 4.350 -0.001 0.000 0.193 605 E C 1.907 178.222 176.600 -0.476 0.000 0.989 605 E CA 1.306 57.478 56.400 -0.380 0.000 0.800 605 E CB -0.022 29.501 29.700 -0.296 0.000 0.746 605 E HN 0.176 nan 8.360 nan 0.000 0.452 606 T N 1.016 115.525 114.554 -0.075 0.000 2.652 606 T HA -0.226 4.123 4.350 -0.001 0.000 0.267 606 T C 2.022 176.801 174.700 0.132 0.000 1.039 606 T CA 1.449 63.626 62.100 0.128 0.000 1.153 606 T CB -0.358 68.705 68.868 0.324 0.000 0.863 606 T HN 0.275 nan 8.240 nan 0.000 0.428 607 A N 1.244 124.133 122.820 0.116 0.000 1.883 607 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 607 A C 2.016 179.713 177.584 0.187 0.000 1.186 607 A CA 1.601 53.722 52.037 0.140 0.000 0.624 607 A CB -1.032 18.022 19.000 0.091 0.000 0.822 607 A HN 0.437 nan 8.150 nan 0.000 0.444 608 F N -0.136 119.789 119.950 -0.043 0.000 2.025 608 F HA -0.244 4.282 4.527 -0.001 0.000 0.297 608 F C 2.258 178.207 175.800 0.248 0.000 1.132 608 F CA 1.655 59.665 58.000 0.016 0.000 1.191 608 F CB -1.200 37.714 39.000 -0.143 0.000 0.963 608 F HN 0.401 nan 8.300 nan 0.000 0.481 609 Y N -0.031 120.269 120.300 -0.000 0.000 2.102 609 Y HA -0.318 4.231 4.550 -0.001 0.000 0.280 609 Y C 2.769 178.731 175.900 0.105 0.000 1.178 609 Y CA 1.395 59.429 58.100 -0.110 0.000 1.146 609 Y CB -0.588 37.740 38.460 -0.220 0.000 0.968 609 Y HN 0.039 nan 8.280 nan 0.000 0.504 610 R N -0.940 119.730 120.500 0.283 0.000 2.092 610 R HA -0.182 4.158 4.340 -0.001 0.000 0.231 610 R C 2.046 178.479 176.300 0.221 0.000 1.119 610 R CA 1.539 57.770 56.100 0.217 0.000 0.970 610 R CB -0.495 29.940 30.300 0.225 0.000 0.864 610 R HN 0.430 nan 8.270 nan 0.000 0.440 611 H N 0.925 120.077 119.070 0.137 0.000 2.319 611 H HA -0.081 4.474 4.556 -0.001 0.000 0.299 611 H C 1.843 177.285 175.328 0.190 0.000 1.092 611 H CA 2.049 58.177 56.048 0.132 0.000 1.302 611 H CB -0.106 29.706 29.762 0.083 0.000 1.373 611 H HN 0.074 nan 8.280 nan 0.000 0.497 612 I N -0.723 119.926 120.570 0.132 0.000 2.142 612 I HA -0.251 3.919 4.170 -0.001 0.000 0.240 612 I C 2.079 178.109 176.117 -0.144 0.000 1.078 612 I CA 1.331 62.629 61.300 -0.003 0.000 1.343 612 I CB -0.453 37.574 38.000 0.044 0.000 1.046 612 I HN 0.240 nan 8.210 nan 0.000 0.405 613 F N 2.168 121.987 119.950 -0.218 0.000 2.154 613 F HA -0.263 4.264 4.527 -0.001 0.000 0.301 613 F C 2.553 178.141 175.800 -0.353 0.000 1.087 613 F CA 1.947 59.707 58.000 -0.399 0.000 1.274 613 F CB -0.459 38.127 39.000 -0.689 0.000 1.009 613 F HN 0.116 nan 8.300 nan 0.000 0.485 614 T N -2.363 112.035 114.554 -0.259 0.000 3.324 614 T HA 0.147 4.497 4.350 -0.001 0.000 0.250 614 T C 1.608 175.948 174.700 -0.601 0.000 1.059 614 T CA -0.004 61.905 62.100 -0.318 0.000 0.951 614 T CB -0.114 68.752 68.868 -0.003 0.000 1.030 614 T HN 0.424 nan 8.240 nan 0.000 0.576 615 R N -0.257 119.813 120.500 -0.716 0.000 2.428 615 R HA 0.274 4.614 4.340 -0.001 0.000 0.193 615 R C 0.233 176.094 176.300 -0.730 0.000 0.852 615 R CA -0.110 55.435 56.100 -0.925 0.000 1.055 615 R CB 0.410 30.169 30.300 -0.903 0.000 1.343 615 R HN 0.309 nan 8.270 nan 0.000 0.655 616 E N 1.953 121.777 120.200 -0.626 0.000 2.410 616 E HA -0.019 4.331 4.350 -0.001 0.000 0.255 616 E C -0.604 175.658 176.600 -0.563 0.000 1.194 616 E CA 0.037 56.105 56.400 -0.554 0.000 0.955 616 E CB 0.564 29.894 29.700 -0.617 0.000 0.988 616 E HN 0.238 nan 8.360 nan 0.000 0.461 617 D N 0.078 120.205 120.400 -0.455 0.000 2.440 617 D HA 0.068 4.707 4.640 -0.001 0.000 0.269 617 D C 0.669 176.740 176.300 -0.382 0.000 1.249 617 D CA -0.065 53.694 54.000 -0.402 0.000 1.055 617 D CB -0.349 40.255 40.800 -0.327 0.000 1.104 617 D HN 0.396 nan 8.370 nan 0.000 0.561 618 T N -0.704 113.662 114.554 -0.313 0.000 2.674 618 T HA -0.133 4.217 4.350 -0.001 0.000 0.265 618 T C 1.897 176.456 174.700 -0.236 0.000 1.039 618 T CA 2.218 64.151 62.100 -0.278 0.000 1.150 618 T CB -0.774 67.950 68.868 -0.240 0.000 0.864 618 T HN 0.501 nan 8.240 nan 0.000 0.427 619 T N 2.773 117.212 114.554 -0.192 0.000 2.622 619 T HA -0.136 4.213 4.350 -0.001 0.000 0.266 619 T C 2.050 176.665 174.700 -0.142 0.000 1.047 619 T CA 1.376 63.395 62.100 -0.133 0.000 1.159 619 T CB -0.463 68.346 68.868 -0.097 0.000 0.863 619 T HN 0.314 nan 8.240 nan 0.000 0.422 620 N N 0.858 119.434 118.700 -0.208 0.000 2.270 620 N HA 0.021 4.760 4.740 -0.001 0.000 0.181 620 N C 2.165 177.436 175.510 -0.398 0.000 1.016 620 N CA 0.707 53.572 53.050 -0.308 0.000 0.870 620 N CB -0.488 37.720 38.487 -0.465 0.000 0.979 620 N HN 0.241 nan 8.380 nan 0.000 0.431 621 S N 1.176 116.654 115.700 -0.369 0.000 2.382 621 S HA 0.020 4.490 4.470 -0.001 0.000 0.228 621 S C 2.076 176.678 174.600 0.004 0.000 1.027 621 S CA 0.591 58.642 58.200 -0.248 0.000 0.991 621 S CB -0.191 62.748 63.200 -0.434 0.000 0.823 621 S HN 0.252 nan 8.310 nan 0.000 0.469 622 L N 0.938 122.104 121.223 -0.096 0.000 2.046 622 L HA -0.091 4.249 4.340 -0.001 0.000 0.208 622 L C 2.139 179.032 176.870 0.039 0.000 1.077 622 L CA 1.150 55.948 54.840 -0.070 0.000 0.747 622 L CB -0.570 41.403 42.059 -0.144 0.000 0.896 622 L HN 0.304 nan 8.230 nan 0.000 0.432 623 I N -0.806 119.778 120.570 0.024 0.000 2.361 623 I HA -0.329 3.841 4.170 -0.001 0.000 0.251 623 I C 2.536 178.731 176.117 0.130 0.000 1.133 623 I CA 1.393 62.741 61.300 0.079 0.000 1.413 623 I CB -0.181 37.886 38.000 0.113 0.000 1.073 623 I HN 0.308 nan 8.210 nan 0.000 0.424 624 M N -0.033 119.648 119.600 0.136 0.000 2.175 624 M HA -0.158 4.322 4.480 -0.001 0.000 0.264 624 M C 2.230 178.720 176.300 0.316 0.000 1.063 624 M CA 1.842 57.329 55.300 0.312 0.000 1.119 624 M CB -0.126 32.693 32.600 0.365 0.000 1.377 624 M HN 0.171 nan 8.290 nan 0.000 0.415 625 I N -0.862 119.858 120.570 0.250 0.000 2.130 625 I HA -0.203 3.967 4.170 -0.001 0.000 0.234 625 I C 1.557 177.715 176.117 0.070 0.000 1.067 625 I CA 1.029 62.423 61.300 0.157 0.000 1.339 625 I CB -0.110 37.993 38.000 0.171 0.000 1.073 625 I HN 0.254 nan 8.210 nan 0.000 0.405 626 Q N 2.252 122.103 119.800 0.084 0.000 2.466 626 Q HA 0.310 4.649 4.340 -0.001 0.000 0.242 626 Q C -2.413 173.520 176.000 -0.111 0.000 1.046 626 Q CA -2.087 53.642 55.803 -0.124 0.000 0.841 626 Q CB 1.241 30.004 28.738 0.042 0.000 1.193 626 Q HN 0.007 nan 8.270 nan 0.000 0.508 627 P HA -0.030 nan 4.420 nan 0.000 0.268 627 P C -0.775 176.487 177.300 -0.064 0.000 1.208 627 P CA 0.197 63.267 63.100 -0.049 0.000 0.777 627 P CB 0.715 32.384 31.700 -0.052 0.000 0.875 628 T N -0.028 114.533 114.554 0.012 0.000 2.929 628 T HA 0.644 4.993 4.350 -0.001 0.000 0.284 628 T C -0.758 173.953 174.700 0.020 0.000 1.014 628 T CA -0.717 61.390 62.100 0.012 0.000 1.051 628 T CB 0.728 69.623 68.868 0.046 0.000 1.028 628 T HN 0.184 nan 8.240 nan 0.000 0.485 629 L N 1.770 122.998 121.223 0.007 0.000 2.439 629 L HA 0.633 4.973 4.340 -0.001 0.000 0.270 629 L C -0.766 176.109 176.870 0.008 0.000 0.972 629 L CA -0.178 54.672 54.840 0.018 0.000 0.836 629 L CB 2.055 44.109 42.059 -0.009 0.000 1.255 629 L HN 0.989 nan 8.230 nan 0.000 0.404 630 T N 2.604 117.179 114.554 0.036 0.000 2.824 630 T HA 0.514 4.863 4.350 -0.001 0.000 0.282 630 T C -0.669 173.977 174.700 -0.090 0.000 0.993 630 T CA -0.442 61.613 62.100 -0.076 0.000 0.967 630 T CB 1.572 70.385 68.868 -0.092 0.000 0.960 630 T HN 0.565 nan 8.240 nan 0.000 0.441 631 S N 2.198 117.762 115.700 -0.226 0.000 2.489 631 S HA 0.771 5.241 4.470 -0.001 0.000 0.291 631 S C -1.263 173.160 174.600 -0.295 0.000 1.151 631 S CA -0.632 57.509 58.200 -0.098 0.000 1.082 631 S CB 0.011 63.188 63.200 -0.038 0.000 1.019 631 S HN 0.433 nan 8.310 nan 0.000 0.492 632 F N 2.326 122.315 119.950 0.065 0.000 2.532 632 F HA 0.693 5.220 4.527 -0.001 0.000 0.321 632 F C 0.598 176.455 175.800 0.095 0.000 1.089 632 F CA -0.451 57.592 58.000 0.072 0.000 0.926 632 F CB 2.279 41.319 39.000 0.067 0.000 1.168 632 F HN 0.665 nan 8.300 nan 0.000 0.459 633 S N 1.807 117.662 115.700 0.259 0.000 2.656 633 S HA 0.447 4.916 4.470 -0.001 0.000 0.273 633 S C 0.174 174.896 174.600 0.203 0.000 1.168 633 S CA -0.890 57.442 58.200 0.221 0.000 0.817 633 S CB 1.520 64.817 63.200 0.162 0.000 1.146 633 S HN 0.445 nan 8.310 nan 0.000 0.475 634 M N 1.405 121.133 119.600 0.213 0.000 2.175 634 M HA 0.022 4.502 4.480 -0.001 0.000 0.264 634 M C 1.257 177.633 176.300 0.128 0.000 1.063 634 M CA 1.568 56.978 55.300 0.182 0.000 1.119 634 M CB -1.407 31.313 32.600 0.200 0.000 1.377 634 M HN 0.962 nan 8.290 nan 0.000 0.415 635 E N -0.140 120.129 120.200 0.116 0.000 2.939 635 E HA 0.285 4.635 4.350 -0.001 0.000 0.215 635 E C -0.854 175.787 176.600 0.068 0.000 1.025 635 E CA -0.234 56.215 56.400 0.083 0.000 1.259 635 E CB 0.412 30.157 29.700 0.074 0.000 1.228 635 E HN 0.221 nan 8.360 nan 0.000 0.443 636 D N 0.242 120.685 120.400 0.072 0.000 2.692 636 D HA 0.240 4.880 4.640 -0.001 0.000 0.303 636 D C -1.089 175.239 176.300 0.046 0.000 1.278 636 D CA -0.574 53.455 54.000 0.048 0.000 0.852 636 D CB 1.674 42.496 40.800 0.036 0.000 1.375 636 D HN -0.012 nan 8.370 nan 0.000 0.453 637 D N 0.128 120.537 120.400 0.015 0.000 2.272 637 D HA 0.402 5.042 4.640 -0.001 0.000 0.247 637 D C -2.305 173.948 176.300 -0.079 0.000 0.990 637 D CA -1.237 52.765 54.000 0.004 0.000 0.931 637 D CB 1.279 42.081 40.800 0.004 0.000 1.195 637 D HN -0.140 nan 8.370 nan 0.000 0.477 638 P HA -0.042 nan 4.420 nan 0.000 0.263 638 P C -0.617 176.504 177.300 -0.299 0.000 1.175 638 P CA 0.553 63.368 63.100 -0.474 0.000 0.761 638 P CB 0.480 31.923 31.700 -0.428 0.000 0.794 639 Q N 3.907 123.510 119.800 -0.328 0.000 2.284 639 Q HA 0.339 4.678 4.340 -0.001 0.000 0.269 639 Q C -2.883 173.028 176.000 -0.147 0.000 1.026 639 Q CA -2.326 53.373 55.803 -0.173 0.000 0.831 639 Q CB 2.052 30.727 28.738 -0.106 0.000 1.322 639 Q HN 0.183 nan 8.270 nan 0.000 0.419 640 P HA -0.017 nan 4.420 nan 0.000 0.264 640 P C -0.960 176.314 177.300 -0.043 0.000 1.193 640 P CA 0.129 63.195 63.100 -0.058 0.000 0.763 640 P CB 0.558 32.239 31.700 -0.031 0.000 0.810 641 V N 1.793 121.687 119.914 -0.034 0.000 3.001 641 V HA 0.499 4.619 4.120 -0.001 0.000 0.314 641 V C -0.490 175.596 176.094 -0.013 0.000 1.099 641 V CA -1.320 60.967 62.300 -0.022 0.000 0.989 641 V CB 1.626 33.436 31.823 -0.021 0.000 1.040 641 V HN 0.201 nan 8.190 nan 0.000 0.434 642 L N 2.657 123.877 121.223 -0.005 0.000 2.455 642 L HA 0.248 4.588 4.340 -0.001 0.000 0.272 642 L C 0.705 177.580 176.870 0.009 0.000 1.174 642 L CA -0.272 54.574 54.840 0.010 0.000 0.869 642 L CB 0.192 42.258 42.059 0.013 0.000 1.130 642 L HN 0.621 nan 8.230 nan 0.000 0.474 643 L N 3.324 124.561 121.223 0.022 0.000 3.461 643 L HA -0.038 4.301 4.340 -0.001 0.000 0.246 643 L C -0.055 176.835 176.870 0.033 0.000 1.454 643 L CA 0.523 55.368 54.840 0.008 0.000 1.091 643 L CB -0.934 41.109 42.059 -0.026 0.000 1.512 643 L HN 0.663 nan 8.230 nan 0.000 0.444 644 D N -2.475 117.928 120.400 0.006 0.000 2.579 644 D HA 0.217 4.856 4.640 -0.001 0.000 0.257 644 D C 0.910 177.191 176.300 -0.031 0.000 1.176 644 D CA -0.508 53.490 54.000 -0.003 0.000 0.914 644 D CB 1.667 42.471 40.800 0.007 0.000 1.431 644 D HN -0.154 nan 8.370 nan 0.000 0.454 645 S N 0.153 115.830 115.700 -0.037 0.000 2.420 645 S HA -0.155 4.315 4.470 -0.001 0.000 0.237 645 S C 2.044 176.621 174.600 -0.039 0.000 1.023 645 S CA 0.810 58.980 58.200 -0.051 0.000 0.991 645 S CB -0.469 62.706 63.200 -0.041 0.000 0.792 645 S HN 0.514 nan 8.310 nan 0.000 0.488 646 I N 2.109 122.665 120.570 -0.025 0.000 2.091 646 I HA -0.293 3.877 4.170 -0.001 0.000 0.240 646 I C 2.281 178.389 176.117 -0.014 0.000 1.046 646 I CA 1.688 62.979 61.300 -0.015 0.000 1.306 646 I CB -0.782 37.212 38.000 -0.010 0.000 1.018 646 I HN 0.331 nan 8.210 nan 0.000 0.404 647 S N 0.113 115.802 115.700 -0.019 0.000 2.653 647 S HA 0.054 4.523 4.470 -0.001 0.000 0.233 647 S C 0.608 175.196 174.600 -0.021 0.000 0.970 647 S CA -0.109 58.083 58.200 -0.014 0.000 0.947 647 S CB -0.851 62.340 63.200 -0.015 0.000 0.771 647 S HN 0.181 nan 8.310 nan 0.000 0.538 648 V N 2.674 122.560 119.914 -0.046 0.000 2.322 648 V HA 0.303 4.423 4.120 -0.001 0.000 0.258 648 V C 0.106 176.210 176.094 0.018 0.000 1.074 648 V CA -0.210 62.046 62.300 -0.073 0.000 0.909 648 V CB -0.208 31.522 31.823 -0.156 0.000 1.090 648 V HN 0.346 nan 8.190 nan 0.000 0.486 649 K N 5.112 125.558 120.400 0.076 0.000 2.318 649 K HA 0.468 4.787 4.320 -0.001 0.000 0.249 649 K C -1.974 174.703 176.600 0.130 0.000 0.942 649 K CA -1.855 54.486 56.287 0.089 0.000 0.808 649 K CB 2.235 34.776 32.500 0.070 0.000 1.189 649 K HN 0.072 nan 8.250 nan 0.000 0.428 650 P HA -0.241 nan 4.420 nan 0.000 0.214 650 P C 0.211 177.523 177.300 0.020 0.000 1.163 650 P CA 1.600 64.724 63.100 0.039 0.000 0.889 650 P CB -0.018 31.674 31.700 -0.013 0.000 0.790 651 N N -1.758 116.967 118.700 0.041 0.000 2.383 651 N HA 0.006 4.745 4.740 -0.001 0.000 0.192 651 N C 0.175 175.794 175.510 0.181 0.000 1.141 651 N CA -0.007 53.094 53.050 0.085 0.000 0.851 651 N CB -0.320 38.232 38.487 0.109 0.000 0.976 651 N HN 0.184 nan 8.380 nan 0.000 0.465 652 T N -2.090 112.572 114.554 0.180 0.000 2.910 652 T HA 0.593 4.942 4.350 -0.001 0.000 0.287 652 T C -0.460 174.389 174.700 0.248 0.000 1.050 652 T CA -0.955 61.275 62.100 0.217 0.000 1.011 652 T CB 1.757 70.732 68.868 0.179 0.000 1.195 652 T HN 0.020 nan 8.240 nan 0.000 0.540 653 I N 1.244 121.978 120.570 0.274 0.000 2.465 653 I HA 0.441 4.611 4.170 -0.001 0.000 0.291 653 I C -0.699 175.598 176.117 0.301 0.000 1.014 653 I CA -1.113 60.324 61.300 0.229 0.000 1.093 653 I CB 1.915 40.005 38.000 0.151 0.000 1.267 653 I HN 0.459 nan 8.210 nan 0.000 0.431 654 L N 6.051 127.412 121.223 0.231 0.000 2.334 654 L HA 0.561 4.900 4.340 -0.001 0.000 0.273 654 L C -1.004 175.972 176.870 0.176 0.000 1.013 654 L CA -0.936 54.039 54.840 0.225 0.000 0.816 654 L CB 2.189 44.332 42.059 0.140 0.000 1.278 654 L HN 0.369 nan 8.230 nan 0.000 0.431 655 L N 3.907 125.270 121.223 0.233 0.000 2.372 655 L HA 0.528 4.868 4.340 -0.001 0.000 0.273 655 L C -1.206 175.743 176.870 0.131 0.000 0.989 655 L CA -0.323 54.623 54.840 0.177 0.000 0.841 655 L CB 1.578 43.821 42.059 0.306 0.000 1.225 655 L HN 0.433 nan 8.230 nan 0.000 0.414 656 L N 4.587 125.865 121.223 0.091 0.000 2.296 656 L HA 0.621 4.961 4.340 -0.001 0.000 0.286 656 L C -1.125 175.817 176.870 0.121 0.000 1.023 656 L CA 0.128 55.026 54.840 0.096 0.000 0.812 656 L CB 1.466 43.588 42.059 0.105 0.000 1.223 656 L HN 0.665 nan 8.230 nan 0.000 0.421 657 D N 2.250 122.724 120.400 0.125 0.000 2.462 657 D HA 0.347 4.987 4.640 -0.001 0.000 0.245 657 D C 0.039 176.456 176.300 0.195 0.000 1.122 657 D CA -0.161 53.931 54.000 0.154 0.000 0.864 657 D CB 1.446 42.326 40.800 0.133 0.000 1.098 657 D HN 0.653 nan 8.370 nan 0.000 0.541 658 T N 2.711 117.438 114.554 0.288 0.000 3.086 658 T HA 0.087 4.436 4.350 -0.001 0.000 0.250 658 T C 0.956 175.945 174.700 0.482 0.000 1.074 658 T CA -0.215 62.107 62.100 0.370 0.000 0.988 658 T CB -0.128 69.032 68.868 0.486 0.000 0.988 658 T HN 0.539 nan 8.240 nan 0.000 0.530 659 F N 0.143 120.173 119.950 0.134 0.000 2.547 659 F HA -0.378 4.149 4.527 -0.001 0.000 0.660 659 F C 0.482 176.204 175.800 -0.129 0.000 0.492 659 F CA 1.250 59.206 58.000 -0.075 0.000 0.849 659 F CB -1.446 37.397 39.000 -0.263 0.000 1.694 659 F HN 0.261 nan 8.300 nan 0.000 0.262 660 F N -0.639 119.465 119.950 0.256 0.000 2.512 660 F HA 0.277 4.803 4.527 -0.001 0.000 0.296 660 F C 0.675 176.505 175.800 0.050 0.000 1.110 660 F CA 0.835 58.954 58.000 0.199 0.000 1.446 660 F CB -0.107 39.174 39.000 0.468 0.000 1.092 660 F HN -0.138 nan 8.300 nan 0.000 0.554 661 F N -0.216 119.872 119.950 0.231 0.000 2.588 661 F HA 0.535 5.061 4.527 -0.001 0.000 0.310 661 F C -0.436 175.380 175.800 0.028 0.000 1.082 661 F CA -1.558 56.480 58.000 0.064 0.000 0.929 661 F CB 1.769 40.742 39.000 -0.045 0.000 1.254 661 F HN -0.447 nan 8.300 nan 0.000 0.455 662 I N 4.204 124.827 120.570 0.089 0.000 2.439 662 I HA 0.406 4.576 4.170 -0.001 0.000 0.285 662 I C -1.136 174.854 176.117 -0.211 0.000 1.021 662 I CA -0.487 60.812 61.300 -0.003 0.000 1.091 662 I CB 1.665 39.680 38.000 0.026 0.000 1.242 662 I HN 0.480 nan 8.210 nan 0.000 0.439 663 L N 7.668 128.815 121.223 -0.126 0.000 2.365 663 L HA 0.654 4.993 4.340 -0.001 0.000 0.273 663 L C -1.224 175.543 176.870 -0.171 0.000 1.000 663 L CA -0.495 54.229 54.840 -0.193 0.000 0.819 663 L CB 2.162 44.222 42.059 0.003 0.000 1.284 663 L HN 0.433 nan 8.230 nan 0.000 0.418 664 I N 5.189 125.604 120.570 -0.259 0.000 2.390 664 I HA 0.228 4.398 4.170 -0.001 0.000 0.283 664 I C -1.335 174.649 176.117 -0.221 0.000 1.016 664 I CA -0.494 60.674 61.300 -0.220 0.000 1.151 664 I CB 1.294 39.145 38.000 -0.248 0.000 1.293 664 I HN 0.538 nan 8.210 nan 0.000 0.458 665 Y N 6.665 126.814 120.300 -0.253 0.000 2.335 665 Y HA 0.400 4.949 4.550 -0.001 0.000 0.339 665 Y C -0.283 175.470 175.900 -0.244 0.000 0.987 665 Y CA -0.465 57.530 58.100 -0.176 0.000 1.140 665 Y CB 0.597 39.029 38.460 -0.046 0.000 1.173 665 Y HN 0.442 nan 8.280 nan 0.000 0.486 666 H N 4.511 123.343 119.070 -0.396 0.000 2.489 666 H HA 0.299 4.854 4.556 -0.001 0.000 0.322 666 H C 0.400 175.471 175.328 -0.429 0.000 1.091 666 H CA -0.200 55.710 56.048 -0.230 0.000 1.291 666 H CB 1.442 31.124 29.762 -0.134 0.000 1.436 666 H HN 1.008 nan 8.280 nan 0.000 0.480 667 G N 1.556 110.388 108.800 0.053 0.000 2.636 667 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.246 667 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.246 667 G C 0.942 175.830 174.900 -0.021 0.000 1.216 667 G CA -0.362 44.799 45.100 0.101 0.000 0.854 667 G HN 0.700 nan 8.290 nan 0.000 0.572 668 E N -0.327 119.864 120.200 -0.014 0.000 2.048 668 E HA -0.304 4.046 4.350 -0.001 0.000 0.202 668 E C 2.361 178.872 176.600 -0.148 0.000 1.021 668 E CA 1.878 58.238 56.400 -0.068 0.000 0.825 668 E CB -0.087 29.584 29.700 -0.048 0.000 0.756 668 E HN 0.573 nan 8.360 nan 0.000 0.454 669 Q N 1.053 120.713 119.800 -0.234 0.000 1.998 669 Q HA -0.196 4.143 4.340 -0.001 0.000 0.209 669 Q C 2.030 177.680 176.000 -0.584 0.000 1.002 669 Q CA 1.805 57.281 55.803 -0.546 0.000 0.858 669 Q CB -0.548 27.797 28.738 -0.656 0.000 0.932 669 Q HN 0.347 nan 8.270 nan 0.000 0.416 670 I N 0.142 120.576 120.570 -0.227 0.000 2.264 670 I HA -0.313 3.857 4.170 -0.001 0.000 0.248 670 I C 2.191 178.438 176.117 0.216 0.000 1.111 670 I CA 0.937 62.376 61.300 0.231 0.000 1.382 670 I CB -0.532 37.697 38.000 0.382 0.000 1.060 670 I HN 0.386 nan 8.210 nan 0.000 0.418 671 A N 0.001 122.849 122.820 0.047 0.000 1.883 671 A HA -0.301 4.018 4.320 -0.001 0.000 0.217 671 A C 2.212 179.806 177.584 0.015 0.000 1.186 671 A CA 1.844 53.882 52.037 0.000 0.000 0.624 671 A CB -0.612 18.357 19.000 -0.051 0.000 0.822 671 A HN 0.347 nan 8.150 nan 0.000 0.444 672 Q N -1.086 118.690 119.800 -0.040 0.000 2.020 672 Q HA -0.170 4.169 4.340 -0.001 0.000 0.202 672 Q C 1.895 177.956 176.000 0.102 0.000 0.982 672 Q CA 1.913 57.697 55.803 -0.032 0.000 0.838 672 Q CB -0.370 28.287 28.738 -0.136 0.000 0.899 672 Q HN 0.794 nan 8.270 nan 0.000 0.423 673 W N 0.887 122.213 121.300 0.044 0.000 2.318 673 W HA -0.149 4.510 4.660 -0.001 0.000 0.313 673 W C 2.292 178.815 176.519 0.007 0.000 1.221 673 W CA 1.459 58.816 57.345 0.020 0.000 1.266 673 W CB -1.000 28.308 29.460 -0.253 0.000 1.150 673 W HN 0.291 nan 8.180 nan 0.000 0.496 674 R N 1.378 122.172 120.500 0.491 0.000 2.073 674 R HA -0.156 4.184 4.340 -0.001 0.000 0.229 674 R C 1.944 178.320 176.300 0.128 0.000 1.120 674 R CA 1.668 58.016 56.100 0.413 0.000 0.967 674 R CB -0.638 29.820 30.300 0.263 0.000 0.862 674 R HN -0.147 nan 8.270 nan 0.000 0.436 675 K N 0.635 121.077 120.400 0.070 0.000 2.448 675 K HA -0.126 4.194 4.320 -0.001 0.000 0.200 675 K C -0.600 175.982 176.600 -0.029 0.000 1.045 675 K CA 1.423 57.712 56.287 0.004 0.000 0.933 675 K CB -0.110 32.387 32.500 -0.005 0.000 0.755 675 K HN 0.356 nan 8.250 nan 0.000 0.481 676 A N -2.132 120.650 122.820 -0.063 0.000 2.480 676 A HA 0.535 4.854 4.320 -0.001 0.000 0.302 676 A C 0.394 177.786 177.584 -0.319 0.000 1.151 676 A CA -0.288 51.661 52.037 -0.147 0.000 0.907 676 A CB -0.091 18.825 19.000 -0.140 0.000 1.487 676 A HN 0.369 nan 8.150 nan 0.000 0.396 677 G N 1.415 110.070 108.800 -0.243 0.000 3.662 677 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.251 677 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.251 677 G C 1.012 175.767 174.900 -0.242 0.000 1.815 677 G CA 0.767 45.665 45.100 -0.335 0.000 1.373 677 G HN 1.258 nan 8.290 nan 0.000 0.571 678 Y N 2.025 122.169 120.300 -0.260 0.000 2.222 678 Y HA -0.465 4.085 4.550 -0.001 0.000 0.238 678 Y C 3.340 179.272 175.900 0.054 0.000 1.319 678 Y CA 3.229 61.083 58.100 -0.410 0.000 1.016 678 Y CB -0.979 36.953 38.460 -0.880 0.000 0.810 678 Y HN 0.757 nan 8.280 nan 0.000 0.526 679 Q N -0.274 119.822 119.800 0.493 0.000 2.182 679 Q HA -0.271 4.069 4.340 -0.001 0.000 0.213 679 Q C 1.040 177.174 176.000 0.224 0.000 1.000 679 Q CA 2.115 58.177 55.803 0.432 0.000 0.889 679 Q CB -0.573 28.350 28.738 0.309 0.000 0.932 679 Q HN 0.558 nan 8.270 nan 0.000 0.415 680 D N 0.840 121.328 120.400 0.147 0.000 2.349 680 D HA 0.010 4.649 4.640 -0.001 0.000 0.224 680 D C -0.292 176.078 176.300 0.116 0.000 1.029 680 D CA 0.396 54.453 54.000 0.096 0.000 0.879 680 D CB 0.003 40.831 40.800 0.046 0.000 0.906 680 D HN 0.279 nan 8.370 nan 0.000 0.528 681 D N 0.493 121.008 120.400 0.192 0.000 2.373 681 D HA 0.101 4.740 4.640 -0.001 0.000 0.227 681 D C -1.675 174.770 176.300 0.242 0.000 1.091 681 D CA -2.234 51.917 54.000 0.252 0.000 0.840 681 D CB 2.314 43.379 40.800 0.440 0.000 1.060 681 D HN -0.218 nan 8.370 nan 0.000 0.502 682 P HA -0.285 nan 4.420 nan 0.000 0.225 682 P C 1.297 178.618 177.300 0.035 0.000 1.154 682 P CA 1.839 64.982 63.100 0.072 0.000 0.933 682 P CB 0.138 31.865 31.700 0.045 0.000 0.790 683 Q N -1.416 118.373 119.800 -0.018 0.000 2.167 683 Q HA -0.177 4.163 4.340 -0.001 0.000 0.202 683 Q C 0.544 176.368 176.000 -0.294 0.000 0.970 683 Q CA 1.266 56.952 55.803 -0.195 0.000 0.855 683 Q CB -0.492 28.047 28.738 -0.332 0.000 0.911 683 Q HN 0.311 nan 8.270 nan 0.000 0.438 684 Y N 0.348 120.662 120.300 0.025 0.000 2.881 684 Y HA 0.353 4.902 4.550 -0.001 0.000 0.369 684 Y C 1.499 177.461 175.900 0.104 0.000 1.066 684 Y CA 0.051 58.173 58.100 0.037 0.000 1.616 684 Y CB -0.217 38.267 38.460 0.040 0.000 1.436 684 Y HN 0.245 nan 8.280 nan 0.000 0.505 685 A N -0.478 122.414 122.820 0.121 0.000 2.015 685 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 685 A C 1.982 179.625 177.584 0.098 0.000 1.163 685 A CA 1.629 53.727 52.037 0.100 0.000 0.646 685 A CB -0.138 18.890 19.000 0.046 0.000 0.806 685 A HN 0.386 nan 8.150 nan 0.000 0.448 686 D N -1.169 119.289 120.400 0.097 0.000 2.149 686 D HA -0.097 4.543 4.640 -0.001 0.000 0.201 686 D C 1.570 177.958 176.300 0.148 0.000 0.972 686 D CA 0.984 55.040 54.000 0.094 0.000 0.835 686 D CB -0.290 40.550 40.800 0.067 0.000 0.966 686 D HN 0.450 nan 8.370 nan 0.000 0.476 687 F N 2.269 122.252 119.950 0.056 0.000 2.102 687 F HA -0.142 4.385 4.527 -0.001 0.000 0.298 687 F C 2.247 178.102 175.800 0.091 0.000 1.105 687 F CA 1.426 59.468 58.000 0.071 0.000 1.239 687 F CB -0.174 38.861 39.000 0.058 0.000 0.991 687 F HN -0.226 nan 8.300 nan 0.000 0.474 688 K N 0.344 120.775 120.400 0.051 0.000 2.044 688 K HA -0.210 4.109 4.320 -0.001 0.000 0.210 688 K C 2.215 178.758 176.600 -0.096 0.000 1.049 688 K CA 1.492 57.745 56.287 -0.058 0.000 0.927 688 K CB -0.532 32.007 32.500 0.064 0.000 0.713 688 K HN 0.326 nan 8.250 nan 0.000 0.443 689 A N 1.181 123.983 122.820 -0.029 0.000 1.933 689 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 689 A C 2.040 179.598 177.584 -0.043 0.000 1.175 689 A CA 1.411 53.438 52.037 -0.017 0.000 0.628 689 A CB -0.597 18.416 19.000 0.023 0.000 0.814 689 A HN 0.421 nan 8.150 nan 0.000 0.444 690 L N -0.183 121.000 121.223 -0.067 0.000 2.017 690 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 690 L C 2.181 178.968 176.870 -0.139 0.000 1.073 690 L CA 1.761 56.569 54.840 -0.053 0.000 0.745 690 L CB -0.474 41.570 42.059 -0.025 0.000 0.894 690 L HN 0.394 nan 8.230 nan 0.000 0.432 691 L N -0.669 120.391 121.223 -0.272 0.000 2.275 691 L HA -0.097 4.242 4.340 -0.001 0.000 0.215 691 L C 2.304 179.100 176.870 -0.123 0.000 1.119 691 L CA 0.615 55.331 54.840 -0.207 0.000 0.790 691 L CB -0.556 41.305 42.059 -0.330 0.000 0.919 691 L HN 0.349 nan 8.230 nan 0.000 0.443 692 E N -0.451 119.675 120.200 -0.123 0.000 2.250 692 E HA -0.134 4.216 4.350 -0.001 0.000 0.192 692 E C 1.850 178.383 176.600 -0.112 0.000 0.986 692 E CA 0.331 56.678 56.400 -0.087 0.000 0.849 692 E CB 0.188 29.855 29.700 -0.055 0.000 0.797 692 E HN 0.277 nan 8.360 nan 0.000 0.482 693 E N 1.257 121.369 120.200 -0.147 0.000 2.058 693 E HA -0.122 4.227 4.350 -0.001 0.000 0.194 693 E C -0.795 175.572 176.600 -0.388 0.000 0.997 693 E CA 1.554 57.858 56.400 -0.161 0.000 0.801 693 E CB -1.000 28.690 29.700 -0.017 0.000 0.746 693 E HN 0.173 nan 8.360 nan 0.000 0.450 694 P HA -0.140 nan 4.420 nan 0.000 0.222 694 P C 0.527 177.713 177.300 -0.190 0.000 1.147 694 P CA 1.449 64.116 63.100 -0.721 0.000 0.790 694 P CB 0.045 31.306 31.700 -0.730 0.000 0.780 695 K N -0.689 119.649 120.400 -0.103 0.000 2.365 695 K HA 0.118 4.437 4.320 -0.001 0.000 0.197 695 K C 2.164 178.762 176.600 -0.004 0.000 1.042 695 K CA 0.508 56.800 56.287 0.009 0.000 0.987 695 K CB -0.129 32.372 32.500 0.002 0.000 0.779 695 K HN 0.213 nan 8.250 nan 0.000 0.484 696 L N 0.810 122.022 121.223 -0.019 0.000 2.168 696 L HA -0.055 4.285 4.340 -0.001 0.000 0.203 696 L C 2.152 179.044 176.870 0.038 0.000 1.078 696 L CA 0.738 55.583 54.840 0.007 0.000 0.780 696 L CB -0.286 41.781 42.059 0.013 0.000 0.939 696 L HN 0.108 nan 8.230 nan 0.000 0.451 697 E N 0.969 121.204 120.200 0.059 0.000 2.077 697 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 697 E C 2.259 178.918 176.600 0.097 0.000 0.989 697 E CA 1.369 57.834 56.400 0.109 0.000 0.800 697 E CB -0.202 29.620 29.700 0.203 0.000 0.746 697 E HN 0.453 nan 8.360 nan 0.000 0.452 698 A N 2.110 124.988 122.820 0.096 0.000 1.851 698 A HA -0.145 4.175 4.320 -0.001 0.000 0.216 698 A C 2.531 180.167 177.584 0.087 0.000 1.195 698 A CA 2.412 54.531 52.037 0.137 0.000 0.622 698 A CB -0.876 18.275 19.000 0.252 0.000 0.831 698 A HN 0.294 nan 8.150 nan 0.000 0.444 699 A N -0.818 122.027 122.820 0.042 0.000 2.024 699 A HA -0.173 4.146 4.320 -0.001 0.000 0.220 699 A C 1.940 179.534 177.584 0.017 0.000 1.164 699 A CA 2.254 54.293 52.037 0.003 0.000 0.643 699 A CB -0.447 18.540 19.000 -0.020 0.000 0.806 699 A HN 0.579 nan 8.150 nan 0.000 0.451 700 E N -0.146 120.075 120.200 0.035 0.000 2.158 700 E HA -0.009 4.340 4.350 -0.001 0.000 0.191 700 E C 1.800 178.427 176.600 0.045 0.000 0.982 700 E CA 0.692 57.116 56.400 0.039 0.000 0.823 700 E CB -0.262 29.468 29.700 0.050 0.000 0.766 700 E HN 0.628 nan 8.360 nan 0.000 0.468 701 L N -0.202 121.052 121.223 0.053 0.000 2.044 701 L HA -0.078 4.261 4.340 -0.001 0.000 0.205 701 L C 2.306 179.189 176.870 0.022 0.000 1.075 701 L CA 0.765 55.636 54.840 0.051 0.000 0.747 701 L CB -0.386 41.711 42.059 0.064 0.000 0.903 701 L HN 0.190 nan 8.230 nan 0.000 0.435 702 L N -0.277 120.951 121.223 0.007 0.000 2.261 702 L HA -0.123 4.217 4.340 -0.001 0.000 0.216 702 L C 0.786 177.646 176.870 -0.017 0.000 1.114 702 L CA 0.179 55.004 54.840 -0.026 0.000 0.777 702 L CB -0.324 41.719 42.059 -0.028 0.000 0.910 702 L HN 0.026 nan 8.230 nan 0.000 0.440 703 V N 1.947 121.866 119.914 0.009 0.000 2.390 703 V HA -0.018 4.102 4.120 -0.001 0.000 0.260 703 V C 0.377 176.501 176.094 0.051 0.000 1.043 703 V CA 0.652 62.965 62.300 0.022 0.000 1.047 703 V CB 0.241 32.080 31.823 0.026 0.000 1.066 703 V HN 0.482 nan 8.190 nan 0.000 0.481 704 D N 1.740 122.171 120.400 0.052 0.000 2.458 704 D HA -0.151 4.489 4.640 -0.001 0.000 0.173 704 D C 0.869 177.223 176.300 0.089 0.000 0.913 704 D CA 0.851 54.921 54.000 0.117 0.000 0.996 704 D CB -0.269 40.656 40.800 0.208 0.000 1.052 704 D HN 0.649 nan 8.370 nan 0.000 0.478 705 R N 0.341 120.860 120.500 0.031 0.000 2.594 705 R HA 0.439 4.779 4.340 -0.001 0.000 0.272 705 R C -0.910 175.335 176.300 -0.092 0.000 1.074 705 R CA 0.054 56.149 56.100 -0.009 0.000 1.105 705 R CB 0.421 30.642 30.300 -0.133 0.000 1.008 705 R HN 0.025 nan 8.270 nan 0.000 0.472 706 F N 6.373 126.191 119.950 -0.220 0.000 2.588 706 F HA 0.463 4.989 4.527 -0.001 0.000 0.318 706 F C -2.273 173.475 175.800 -0.086 0.000 1.155 706 F CA -2.027 55.838 58.000 -0.225 0.000 0.967 706 F CB 1.764 40.524 39.000 -0.400 0.000 1.236 706 F HN 0.535 nan 8.300 nan 0.000 0.455 707 P HA 0.223 nan 4.420 nan 0.000 0.293 707 P C -0.830 176.116 177.300 -0.589 0.000 1.298 707 P CA -0.417 61.927 63.100 -1.260 0.000 0.757 707 P CB 1.192 32.449 31.700 -0.739 0.000 1.262 708 L N 0.770 121.756 121.223 -0.396 0.000 2.326 708 L HA 0.323 4.663 4.340 -0.001 0.000 0.278 708 L C -1.628 175.096 176.870 -0.243 0.000 1.092 708 L CA -1.939 52.742 54.840 -0.266 0.000 0.810 708 L CB 0.613 42.579 42.059 -0.156 0.000 1.153 708 L HN 0.294 nan 8.230 nan 0.000 0.439 709 P HA 0.151 nan 4.420 nan 0.000 0.274 709 P C -0.954 176.215 177.300 -0.218 0.000 1.256 709 P CA -0.553 62.394 63.100 -0.255 0.000 0.795 709 P CB 0.698 32.250 31.700 -0.247 0.000 1.038 710 R N 0.566 120.814 120.500 -0.419 0.000 2.265 710 R HA 0.352 4.691 4.340 -0.001 0.000 0.314 710 R C -0.094 176.094 176.300 -0.186 0.000 1.053 710 R CA -0.421 55.440 56.100 -0.399 0.000 0.931 710 R CB 0.120 29.915 30.300 -0.841 0.000 1.024 710 R HN 0.456 nan 8.270 nan 0.000 0.457 711 F N 3.828 123.688 119.950 -0.150 0.000 2.385 711 F HA 0.432 4.958 4.527 -0.001 0.000 0.336 711 F C -0.233 175.552 175.800 -0.025 0.000 1.100 711 F CA -0.518 57.443 58.000 -0.066 0.000 1.116 711 F CB 0.751 39.721 39.000 -0.050 0.000 1.166 711 F HN 0.340 nan 8.300 nan 0.000 0.511 712 I N 5.563 125.773 120.570 -0.600 0.000 2.500 712 I HA 0.180 4.350 4.170 -0.001 0.000 0.286 712 I C -1.365 174.528 176.117 -0.373 0.000 1.063 712 I CA -0.701 60.423 61.300 -0.293 0.000 1.062 712 I CB 1.711 39.610 38.000 -0.167 0.000 1.223 712 I HN 0.443 nan 8.210 nan 0.000 0.435 713 D N 5.305 125.657 120.400 -0.079 0.000 2.427 713 D HA 0.349 4.989 4.640 -0.001 0.000 0.226 713 D C -0.588 175.752 176.300 0.068 0.000 1.076 713 D CA 0.252 54.273 54.000 0.036 0.000 0.849 713 D CB 1.635 42.579 40.800 0.239 0.000 1.052 713 D HN 0.504 nan 8.370 nan 0.000 0.515 714 T N 1.917 116.497 114.554 0.043 0.000 2.645 714 T HA 0.630 4.980 4.350 -0.001 0.000 0.273 714 T C -1.279 173.406 174.700 -0.025 0.000 0.960 714 T CA -0.383 61.748 62.100 0.052 0.000 1.051 714 T CB 1.487 70.409 68.868 0.090 0.000 1.366 714 T HN 0.611 nan 8.240 nan 0.000 0.536 715 E N -0.478 119.631 120.200 -0.153 0.000 2.429 715 E HA 0.515 4.865 4.350 -0.001 0.000 0.277 715 E C -1.425 174.934 176.600 -0.401 0.000 1.130 715 E CA -1.145 54.936 56.400 -0.532 0.000 0.875 715 E CB 0.718 30.292 29.700 -0.209 0.000 1.443 715 E HN 0.769 nan 8.360 nan 0.000 0.444 716 A N 0.215 122.765 122.820 -0.450 0.000 2.505 716 A HA 0.492 4.812 4.320 -0.001 0.000 0.271 716 A C 1.155 178.761 177.584 0.037 0.000 1.112 716 A CA 1.264 53.339 52.037 0.063 0.000 0.781 716 A CB -1.105 17.973 19.000 0.129 0.000 1.059 716 A HN 1.477 nan 8.150 nan 0.000 0.508 717 G N 2.081 110.934 108.800 0.088 0.000 2.339 717 G HA2 0.003 3.962 3.960 -0.001 0.000 0.209 717 G HA3 0.003 3.962 3.960 -0.001 0.000 0.209 717 G C 0.946 175.878 174.900 0.054 0.000 1.015 717 G CA 0.136 45.268 45.100 0.054 0.000 0.635 717 G HN 1.903 nan 8.290 nan 0.000 0.499 718 G N 0.721 109.553 108.800 0.053 0.000 2.559 718 G HA2 0.473 4.433 3.960 -0.001 0.000 0.235 718 G HA3 0.473 4.433 3.960 -0.001 0.000 0.235 718 G C 1.280 176.228 174.900 0.079 0.000 1.266 718 G CA 1.150 46.285 45.100 0.058 0.000 0.847 718 G HN 1.408 nan 8.290 nan 0.000 0.583 719 S N 0.287 116.028 115.700 0.069 0.000 2.481 719 S HA -0.101 4.369 4.470 -0.001 0.000 0.231 719 S C 1.736 176.390 174.600 0.090 0.000 0.996 719 S CA 0.986 59.229 58.200 0.072 0.000 0.942 719 S CB -0.009 63.225 63.200 0.058 0.000 0.768 719 S HN 0.687 nan 8.310 nan 0.000 0.520 720 Q N 0.710 120.570 119.800 0.101 0.000 2.424 720 Q HA 0.391 4.730 4.340 -0.001 0.000 0.204 720 Q C 2.228 178.325 176.000 0.161 0.000 0.933 720 Q CA 0.515 56.391 55.803 0.120 0.000 0.929 720 Q CB -0.324 28.470 28.738 0.094 0.000 1.037 720 Q HN 0.709 nan 8.270 nan 0.000 0.511 721 A N 2.101 125.024 122.820 0.173 0.000 2.148 721 A HA -0.282 4.038 4.320 -0.001 0.000 0.222 721 A C 2.040 179.712 177.584 0.147 0.000 1.161 721 A CA 1.667 53.840 52.037 0.228 0.000 0.662 721 A CB -0.573 18.599 19.000 0.287 0.000 0.799 721 A HN 0.466 nan 8.150 nan 0.000 0.466 722 R N -1.953 118.622 120.500 0.125 0.000 2.081 722 R HA -0.132 4.208 4.340 -0.001 0.000 0.235 722 R C 1.948 178.288 176.300 0.066 0.000 1.131 722 R CA 1.668 57.816 56.100 0.079 0.000 0.960 722 R CB -0.870 29.476 30.300 0.077 0.000 0.856 722 R HN 0.358 nan 8.270 nan 0.000 0.436 723 F N 1.830 121.760 119.950 -0.032 0.000 2.091 723 F HA -0.212 4.315 4.527 -0.001 0.000 0.299 723 F C 2.081 177.829 175.800 -0.087 0.000 1.103 723 F CA 1.617 59.564 58.000 -0.089 0.000 1.228 723 F CB -0.246 38.685 39.000 -0.114 0.000 0.984 723 F HN 0.107 nan 8.300 nan 0.000 0.477 724 L N 0.284 121.582 121.223 0.125 0.000 2.027 724 L HA -0.158 4.182 4.340 -0.001 0.000 0.206 724 L C 2.000 178.811 176.870 -0.098 0.000 1.074 724 L CA 1.885 56.729 54.840 0.007 0.000 0.745 724 L CB -1.017 41.034 42.059 -0.012 0.000 0.898 724 L HN 0.218 nan 8.230 nan 0.000 0.433 725 L N -0.308 120.864 121.223 -0.086 0.000 2.093 725 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 725 L C 2.420 179.230 176.870 -0.101 0.000 1.085 725 L CA 1.204 55.988 54.840 -0.093 0.000 0.755 725 L CB -0.981 41.041 42.059 -0.062 0.000 0.904 725 L HN 0.506 nan 8.230 nan 0.000 0.435 726 S N -0.566 115.061 115.700 -0.122 0.000 2.723 726 S HA -0.061 4.409 4.470 -0.001 0.000 0.231 726 S C 1.220 175.699 174.600 -0.201 0.000 0.967 726 S CA 0.563 58.675 58.200 -0.147 0.000 0.958 726 S CB -0.254 62.848 63.200 -0.163 0.000 0.778 726 S HN 0.470 nan 8.310 nan 0.000 0.537 727 K N -0.139 120.145 120.400 -0.193 0.000 2.553 727 K HA 0.388 4.708 4.320 -0.001 0.000 0.205 727 K C -0.212 176.332 176.600 -0.093 0.000 1.168 727 K CA -0.140 56.037 56.287 -0.184 0.000 1.043 727 K CB 0.579 32.915 32.500 -0.274 0.000 0.967 727 K HN 0.323 nan 8.250 nan 0.000 0.585 751 S N 0.741 116.446 115.700 0.008 0.000 2.537 751 S HA 0.043 4.512 4.470 -0.001 0.000 0.280 751 S C 0.936 175.323 174.600 -0.355 0.000 1.335 751 S CA 0.777 58.919 58.200 -0.096 0.000 1.025 751 S CB 0.051 63.196 63.200 -0.092 0.000 0.836 751 S HN 1.439 nan 8.310 nan 0.000 0.523 752 L N 1.885 122.643 121.223 -0.776 0.000 2.187 752 L HA -0.141 4.199 4.340 -0.001 0.000 0.213 752 L C 2.551 179.170 176.870 -0.419 0.000 1.100 752 L CA 1.837 56.001 54.840 -1.128 0.000 0.765 752 L CB -1.075 40.406 42.059 -0.963 0.000 0.904 752 L HN 0.888 nan 8.230 nan 0.000 0.437 753 Q N -0.712 118.936 119.800 -0.253 0.000 1.993 753 Q HA -0.198 4.142 4.340 -0.001 0.000 0.202 753 Q C 1.988 177.929 176.000 -0.098 0.000 0.984 753 Q CA 1.809 57.531 55.803 -0.136 0.000 0.837 753 Q CB -0.414 28.265 28.738 -0.099 0.000 0.902 753 Q HN 0.506 nan 8.270 nan 0.000 0.423 754 N N 0.527 119.181 118.700 -0.077 0.000 2.104 754 N HA -0.167 4.573 4.740 -0.001 0.000 0.190 754 N C 1.436 176.945 175.510 -0.001 0.000 1.024 754 N CA 1.011 54.039 53.050 -0.038 0.000 0.853 754 N CB -0.507 37.971 38.487 -0.015 0.000 1.008 754 N HN 0.152 nan 8.380 nan 0.000 0.424 755 F N 1.597 121.456 119.950 -0.152 0.000 2.043 755 F HA -0.175 4.352 4.527 -0.001 0.000 0.297 755 F C 2.220 177.939 175.800 -0.136 0.000 1.121 755 F CA 1.459 59.387 58.000 -0.120 0.000 1.199 755 F CB -0.216 38.666 39.000 -0.197 0.000 0.968 755 F HN -0.066 nan 8.300 nan 0.000 0.478 756 M N -0.386 119.179 119.600 -0.058 0.000 2.202 756 M HA -0.190 4.290 4.480 -0.001 0.000 0.262 756 M C 2.068 178.234 176.300 -0.222 0.000 1.063 756 M CA 1.750 56.960 55.300 -0.149 0.000 1.097 756 M CB -1.711 30.846 32.600 -0.072 0.000 1.382 756 M HN 0.185 nan 8.290 nan 0.000 0.413 757 T N -1.564 112.896 114.554 -0.157 0.000 2.809 757 T HA -0.131 4.219 4.350 -0.001 0.000 0.260 757 T C 1.779 176.393 174.700 -0.143 0.000 1.039 757 T CA 1.124 63.139 62.100 -0.142 0.000 1.141 757 T CB -0.335 68.476 68.868 -0.095 0.000 0.869 757 T HN 0.518 nan 8.240 nan 0.000 0.437 758 H N 0.212 119.128 119.070 -0.258 0.000 2.387 758 H HA -0.072 4.484 4.556 -0.001 0.000 0.299 758 H C 2.293 177.405 175.328 -0.359 0.000 1.099 758 H CA 0.909 56.797 56.048 -0.266 0.000 1.315 758 H CB -0.043 29.572 29.762 -0.244 0.000 1.380 758 H HN 0.130 nan 8.280 nan 0.000 0.513 759 L N 1.236 122.200 121.223 -0.432 0.000 2.046 759 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 759 L C 2.150 178.663 176.870 -0.595 0.000 1.077 759 L CA 1.631 56.118 54.840 -0.588 0.000 0.747 759 L CB -0.680 40.979 42.059 -0.667 0.000 0.896 759 L HN 0.353 nan 8.230 nan 0.000 0.432 760 Q N -0.999 118.423 119.800 -0.630 0.000 2.119 760 Q HA -0.217 4.123 4.340 -0.001 0.000 0.201 760 Q C 2.146 177.901 176.000 -0.408 0.000 0.972 760 Q CA 1.764 57.111 55.803 -0.760 0.000 0.847 760 Q CB -0.174 28.229 28.738 -0.559 0.000 0.903 760 Q HN 0.689 nan 8.270 nan 0.000 0.433 761 Q N -0.154 119.494 119.800 -0.253 0.000 2.119 761 Q HA -0.114 4.226 4.340 -0.001 0.000 0.201 761 Q C 2.128 178.039 176.000 -0.148 0.000 0.972 761 Q CA 1.435 57.151 55.803 -0.144 0.000 0.847 761 Q CB 0.045 28.748 28.738 -0.058 0.000 0.903 761 Q HN 0.230 nan 8.270 nan 0.000 0.433 762 V N 0.757 120.556 119.914 -0.191 0.000 2.488 762 V HA -0.110 4.009 4.120 -0.001 0.000 0.246 762 V C 2.237 178.211 176.094 -0.199 0.000 1.046 762 V CA 1.408 63.602 62.300 -0.177 0.000 1.053 762 V CB -0.820 30.869 31.823 -0.224 0.000 0.679 762 V HN 0.327 nan 8.190 nan 0.000 0.458 763 A N 0.854 123.505 122.820 -0.281 0.000 2.019 763 A HA -0.103 4.216 4.320 -0.001 0.000 0.219 763 A C 2.172 179.462 177.584 -0.489 0.000 1.164 763 A CA 1.966 53.829 52.037 -0.290 0.000 0.644 763 A CB -0.514 18.343 19.000 -0.238 0.000 0.805 763 A HN 0.720 nan 8.150 nan 0.000 0.449 764 V N -1.923 117.730 119.914 -0.434 0.000 3.647 764 V HA 0.205 4.325 4.120 -0.001 0.000 0.279 764 V C 0.741 176.784 176.094 -0.086 0.000 1.314 764 V CA 0.485 62.550 62.300 -0.392 0.000 1.125 764 V CB -1.102 30.609 31.823 -0.186 0.000 0.907 764 V HN 0.530 nan 8.190 nan 0.000 0.434 765 S N 0.394 116.041 115.700 -0.088 0.000 2.638 765 S HA 0.804 5.274 4.470 -0.001 0.000 0.298 765 S C 0.288 174.884 174.600 -0.006 0.000 1.111 765 S CA 0.020 58.204 58.200 -0.027 0.000 1.027 765 S CB 1.430 64.608 63.200 -0.038 0.000 1.064 765 S HN 0.736 nan 8.310 nan 0.000 0.525 766 G N 1.049 109.856 108.800 0.012 0.000 2.377 766 G HA2 0.526 4.486 3.960 -0.001 0.000 0.299 766 G HA3 0.526 4.486 3.960 -0.001 0.000 0.299 766 G C -0.464 174.440 174.900 0.008 0.000 1.150 766 G CA -0.626 44.486 45.100 0.019 0.000 0.847 766 G HN 0.645 nan 8.290 nan 0.000 0.501 767 Q N 0.034 119.841 119.800 0.010 0.000 2.427 767 Q HA 0.630 4.969 4.340 -0.001 0.000 0.232 767 Q C 0.577 176.583 176.000 0.011 0.000 1.018 767 Q CA -0.802 55.005 55.803 0.007 0.000 0.965 767 Q CB 1.353 30.095 28.738 0.007 0.000 1.232 767 Q HN 0.656 nan 8.270 nan 0.000 0.510 768 A N 0.000 122.827 122.820 0.012 0.000 2.254 768 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 768 A CA 0.000 52.044 52.037 0.013 0.000 0.836 768 A CB 0.000 19.008 19.000 0.014 0.000 0.831 768 A HN 0.000 nan 8.150 nan 0.000 0.486