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 2qtv_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 ALTEMLTGQX DATA SEQUENCE XXXXXXXXXX XXXXXXKVTP FSLNRFFLPL EQVEFKLNQL LENLSPDQWS DATA SEQUENCE VPAGHRPLRA TGSALNIASL LLQGCYKNIP ARIILFASGP GTVAPGLIVN DATA SEQUENCE SELKDPLRSH HDIDSDHAQH YKKACKFYNQ IAQRVAANGH TVDIFAGCYD DATA SEQUENCE QIGMSEMKQL TDSTGGVLLL TDAFSTAIFK QSYLRLFAKD EEGYLKMAFN DATA SEQUENCE GNMAVKTSKD LKVQGLIGHA SAVKKTDANN ISESEIGIGA TSTWKMASLS DATA SEQUENCE PYHSYAIFFE IANTXXXXXX XXXXXXXXXX XHLAYTQFIT TYQHSSGTNR DATA SEQUENCE IRVTTVANQL LPFGTPAIAA SFDQEAAAVL MARIAVHKAE TDDGADVIRW DATA SEQUENCE LDRTLIKLCQ KYADYNKDDP QSFRLAPNFS LYPQFTYYLR RSQFLSVFNN DATA SEQUENCE SPDETAFYRH IFTREDTTNS LIMIQPTLTS FSMEDDPQPV LLDSISVKPN DATA SEQUENCE TILLLDTFFF ILIYHGEQIA QWRKAGYQDD PQYADFKALL EEPKLEAAEL DATA SEQUENCE LVDRFPLPRF IDTEAGGSQA RFLLSKLNPS DNYQDMARGG STIVLTDDVS 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 0.000 176.289 176.300 -0.018 0.000 2.045 2 D CA 0.000 53.929 54.000 -0.118 0.000 0.868 2 D CB 0.000 40.619 40.800 -0.301 0.000 0.688 3 F N 1.830 121.766 119.950 -0.024 0.000 2.250 3 F HA -0.038 4.490 4.527 0.002 0.000 0.301 3 F C 2.179 177.965 175.800 -0.024 0.000 1.077 3 F CA 1.180 59.161 58.000 -0.031 0.000 1.348 3 F CB 0.257 39.220 39.000 -0.062 0.000 1.040 3 F HN 0.129 nan 8.300 nan 0.000 0.509 4 E N -0.684 119.610 120.200 0.157 0.000 2.216 4 E HA -0.117 4.234 4.350 0.002 0.000 0.192 4 E C 2.089 178.728 176.600 0.065 0.000 0.988 4 E CA 1.080 57.529 56.400 0.082 0.000 0.834 4 E CB -0.097 29.632 29.700 0.048 0.000 0.772 4 E HN 0.214 nan 8.360 nan 0.000 0.479 5 T N 1.054 115.643 114.554 0.059 0.000 2.674 5 T HA -0.173 4.178 4.350 0.002 0.000 0.265 5 T C 1.738 176.480 174.700 0.070 0.000 1.039 5 T CA 1.593 63.722 62.100 0.049 0.000 1.150 5 T CB -0.294 68.590 68.868 0.027 0.000 0.864 5 T HN 0.083 nan 8.240 nan 0.000 0.427 6 N N 0.880 119.635 118.700 0.092 0.000 2.289 6 N HA -0.105 4.636 4.740 0.002 0.000 0.184 6 N C 1.748 177.325 175.510 0.112 0.000 1.016 6 N CA 1.359 54.474 53.050 0.108 0.000 0.872 6 N CB -0.110 38.460 38.487 0.138 0.000 0.973 6 N HN 0.571 nan 8.380 nan 0.000 0.433 7 E N -0.518 119.736 120.200 0.091 0.000 2.158 7 E HA -0.123 4.229 4.350 0.002 0.000 0.191 7 E C 0.591 177.245 176.600 0.090 0.000 0.982 7 E CA 0.957 57.395 56.400 0.064 0.000 0.823 7 E CB 0.032 29.739 29.700 0.012 0.000 0.766 7 E HN 0.377 nan 8.360 nan 0.000 0.468 8 D N 0.312 120.769 120.400 0.096 0.000 2.224 8 D HA -0.072 4.569 4.640 0.002 0.000 0.205 8 D C 1.880 178.317 176.300 0.229 0.000 0.965 8 D CA 0.784 54.862 54.000 0.131 0.000 0.852 8 D CB 0.141 40.990 40.800 0.083 0.000 0.947 8 D HN 0.366 nan 8.370 nan 0.000 0.494 9 I N 0.458 121.119 120.570 0.152 0.000 2.628 9 I HA -0.052 4.119 4.170 0.002 0.000 0.255 9 I C 1.163 177.321 176.117 0.067 0.000 1.119 9 I CA 0.588 61.929 61.300 0.067 0.000 1.448 9 I CB 0.173 38.191 38.000 0.030 0.000 1.133 9 I HN -0.142 nan 8.210 nan 0.000 0.438 10 N N 0.372 119.175 118.700 0.171 0.000 2.170 10 N HA 0.136 4.878 4.740 0.002 0.000 0.222 10 N C 0.860 176.540 175.510 0.283 0.000 1.218 10 N CA 0.644 53.821 53.050 0.212 0.000 0.889 10 N CB 1.325 39.915 38.487 0.170 0.000 1.083 10 N HN 0.285 nan 8.380 nan 0.000 0.520 11 G N 1.244 110.182 108.800 0.231 0.000 2.356 11 G HA2 -0.242 3.720 3.960 0.002 0.000 0.296 11 G HA3 -0.242 3.720 3.960 0.002 0.000 0.296 11 G C -0.328 174.601 174.900 0.049 0.000 1.022 11 G CA 0.504 45.632 45.100 0.047 0.000 0.961 11 G HN 0.180 nan 8.290 nan 0.000 0.510 12 V N 0.349 120.303 119.914 0.067 0.000 2.709 12 V HA 0.805 4.927 4.120 0.002 0.000 0.308 12 V C -0.175 175.909 176.094 -0.017 0.000 1.062 12 V CA -1.222 61.084 62.300 0.008 0.000 0.901 12 V CB 2.169 34.023 31.823 0.052 0.000 1.003 12 V HN 0.334 nan 8.190 nan 0.000 0.425 13 R N 3.133 123.549 120.500 -0.141 0.000 2.500 13 R HA 0.514 4.855 4.340 0.002 0.000 0.299 13 R C -1.572 174.593 176.300 -0.224 0.000 1.038 13 R CA -0.290 55.726 56.100 -0.140 0.000 0.903 13 R CB 1.759 31.940 30.300 -0.198 0.000 1.177 13 R HN 0.564 nan 8.270 nan 0.000 0.455 14 F N 0.371 120.227 119.950 -0.156 0.000 2.397 14 F HA 0.181 4.710 4.527 0.002 0.000 0.331 14 F C 2.098 177.730 175.800 -0.280 0.000 1.090 14 F CA -0.149 57.783 58.000 -0.113 0.000 1.065 14 F CB 1.608 40.635 39.000 0.045 0.000 1.184 14 F HN 0.514 nan 8.300 nan 0.000 0.499 15 T N -1.805 112.737 114.554 -0.020 0.000 2.777 15 T HA -0.145 4.206 4.350 0.002 0.000 0.266 15 T C 0.004 174.378 174.700 -0.543 0.000 1.040 15 T CA 0.809 62.692 62.100 -0.363 0.000 1.141 15 T CB -0.213 68.573 68.868 -0.135 0.000 0.868 15 T HN 0.415 nan 8.240 nan 0.000 0.444 16 W N 1.541 122.906 121.300 0.108 0.000 2.619 16 W HA 0.600 5.262 4.660 0.002 0.000 0.327 16 W C -0.034 176.617 176.519 0.220 0.000 1.027 16 W CA -1.111 56.338 57.345 0.174 0.000 1.233 16 W CB 1.050 30.663 29.460 0.255 0.000 1.370 16 W HN -0.086 nan 8.180 nan 0.000 0.453 17 N N 1.032 119.895 118.700 0.271 0.000 2.398 17 N HA 0.108 4.849 4.740 0.002 0.000 0.188 17 N C -0.663 174.789 175.510 -0.098 0.000 1.122 17 N CA 0.343 53.426 53.050 0.054 0.000 0.866 17 N CB 0.487 39.033 38.487 0.098 0.000 0.970 17 N HN 0.055 nan 8.380 nan 0.000 0.462 18 V N 1.830 121.802 119.914 0.096 0.000 2.488 18 V HA 0.319 4.440 4.120 0.002 0.000 0.293 18 V C -0.967 175.244 176.094 0.195 0.000 1.027 18 V CA -0.901 61.380 62.300 -0.032 0.000 0.862 18 V CB 0.791 32.642 31.823 0.047 0.000 1.008 18 V HN -0.066 nan 8.190 nan 0.000 0.428 19 F N 4.995 124.901 119.950 -0.074 0.000 2.380 19 F HA 0.564 5.092 4.527 0.003 0.000 0.325 19 F C -1.999 173.739 175.800 -0.103 0.000 1.136 19 F CA -3.330 54.616 58.000 -0.090 0.000 1.171 19 F CB 0.036 38.965 39.000 -0.118 0.000 1.230 19 F HN 0.239 nan 8.300 nan 0.000 0.554 20 P HA 0.132 nan 4.420 nan 0.000 0.279 20 P C 0.460 177.796 177.300 0.059 0.000 1.239 20 P CA -0.086 63.023 63.100 0.014 0.000 0.789 20 P CB 0.799 32.466 31.700 -0.055 0.000 0.933 21 S N 0.537 116.275 115.700 0.064 0.000 2.423 21 S HA -0.042 4.430 4.470 0.002 0.000 0.231 21 S C 0.794 175.443 174.600 0.082 0.000 1.014 21 S CA 0.984 59.232 58.200 0.080 0.000 0.965 21 S CB -1.052 62.204 63.200 0.093 0.000 0.785 21 S HN 0.619 nan 8.310 nan 0.000 0.495 22 T N -1.851 112.746 114.554 0.071 0.000 2.916 22 T HA 0.535 4.887 4.350 0.002 0.000 0.292 22 T C 0.359 175.089 174.700 0.050 0.000 1.055 22 T CA -1.076 61.062 62.100 0.062 0.000 1.009 22 T CB 2.088 70.990 68.868 0.057 0.000 1.118 22 T HN 0.078 nan 8.240 nan 0.000 0.497 23 R N 0.502 121.031 120.500 0.047 0.000 2.148 23 R HA -0.057 4.284 4.340 0.002 0.000 0.227 23 R C 1.944 178.270 176.300 0.042 0.000 1.103 23 R CA 1.477 57.604 56.100 0.044 0.000 0.983 23 R CB -0.509 29.820 30.300 0.047 0.000 0.874 23 R HN 0.710 nan 8.270 nan 0.000 0.451 24 S N 1.042 116.766 115.700 0.041 0.000 2.355 24 S HA -0.114 4.358 4.470 0.002 0.000 0.222 24 S C 1.195 175.828 174.600 0.055 0.000 1.031 24 S CA 1.399 59.622 58.200 0.038 0.000 0.993 24 S CB -0.214 62.999 63.200 0.020 0.000 0.859 24 S HN 0.423 nan 8.310 nan 0.000 0.453 25 D N 1.977 122.421 120.400 0.074 0.000 2.144 25 D HA 0.018 4.660 4.640 0.002 0.000 0.200 25 D C 2.143 178.457 176.300 0.022 0.000 0.978 25 D CA 1.139 55.206 54.000 0.111 0.000 0.833 25 D CB -0.452 40.433 40.800 0.142 0.000 0.961 25 D HN 0.403 nan 8.370 nan 0.000 0.470 26 A N 1.464 124.281 122.820 -0.004 0.000 1.902 26 A HA -0.200 4.121 4.320 0.002 0.000 0.217 26 A C 2.014 179.602 177.584 0.007 0.000 1.181 26 A CA 1.332 53.340 52.037 -0.049 0.000 0.623 26 A CB -0.361 18.627 19.000 -0.020 0.000 0.818 26 A HN 0.118 nan 8.150 nan 0.000 0.443 27 N N 0.604 119.333 118.700 0.048 0.000 2.135 27 N HA -0.124 4.617 4.740 0.002 0.000 0.186 27 N C 1.990 177.556 175.510 0.093 0.000 1.027 27 N CA 1.861 54.959 53.050 0.080 0.000 0.849 27 N CB -0.673 37.858 38.487 0.074 0.000 1.002 27 N HN 0.609 nan 8.380 nan 0.000 0.425 28 S N 0.567 116.317 115.700 0.084 0.000 2.500 28 S HA 0.008 4.479 4.470 0.002 0.000 0.239 28 S C 1.217 175.890 174.600 0.121 0.000 0.989 28 S CA 0.622 58.882 58.200 0.100 0.000 0.951 28 S CB -0.203 63.065 63.200 0.113 0.000 0.759 28 S HN 0.147 nan 8.310 nan 0.000 0.523 29 N N 0.885 119.645 118.700 0.099 0.000 2.461 29 N HA 0.165 4.906 4.740 0.002 0.000 0.188 29 N C 1.246 176.939 175.510 0.305 0.000 1.134 29 N CA 0.621 53.767 53.050 0.159 0.000 0.878 29 N CB 0.260 38.621 38.487 -0.210 0.000 0.972 29 N HN 0.319 nan 8.380 nan 0.000 0.456 30 V N -1.577 118.475 119.914 0.231 0.000 0.565 30 V HA -0.351 3.770 4.120 0.002 0.000 0.092 30 V C 0.805 177.078 176.094 0.298 0.000 1.978 30 V CA 1.744 64.186 62.300 0.235 0.000 3.460 30 V CB -1.424 30.518 31.823 0.198 0.000 0.751 30 V HN 0.089 nan 8.190 nan 0.000 0.781 31 V N 4.156 124.315 119.914 0.408 0.000 2.479 31 V HA 0.260 4.382 4.120 0.002 0.000 0.281 31 V C -1.510 174.917 176.094 0.554 0.000 1.031 31 V CA -0.685 61.894 62.300 0.465 0.000 1.038 31 V CB 0.896 33.008 31.823 0.482 0.000 0.981 31 V HN 0.450 nan 8.190 nan 0.000 0.478 32 P HA 0.070 nan 4.420 nan 0.000 0.269 32 P C -0.553 177.042 177.300 0.492 0.000 1.217 32 P CA -0.164 63.194 63.100 0.430 0.000 0.783 32 P CB 0.367 32.336 31.700 0.448 0.000 0.898 33 V N 1.959 122.093 119.914 0.367 0.000 2.455 33 V HA 0.613 4.734 4.120 0.002 0.000 0.273 33 V C 0.973 177.301 176.094 0.389 0.000 1.045 33 V CA 0.759 63.242 62.300 0.304 0.000 0.976 33 V CB 0.019 31.798 31.823 -0.072 0.000 0.993 33 V HN 0.900 nan 8.190 nan 0.000 0.475 34 G N 3.103 112.114 108.800 0.351 0.000 2.550 34 G HA2 0.630 4.591 3.960 0.002 0.000 0.293 34 G HA3 0.630 4.591 3.960 0.002 0.000 0.293 34 G C -1.173 173.644 174.900 -0.138 0.000 1.402 34 G CA -0.001 45.187 45.100 0.147 0.000 0.784 34 G HN 1.178 nan 8.290 nan 0.000 0.482 35 C N -1.047 118.001 119.300 -0.421 0.000 2.985 35 C HA 0.814 5.275 4.460 0.002 0.000 0.314 35 C C -0.891 173.818 174.990 -0.468 0.000 1.215 35 C CA -1.099 57.531 59.018 -0.647 0.000 1.414 35 C CB 0.717 27.605 27.740 -1.420 0.000 1.842 35 C HN 1.010 nan 8.230 nan 0.000 0.477 36 L N 3.312 124.297 121.223 -0.396 0.000 2.260 36 L HA 0.601 4.942 4.340 0.002 0.000 0.289 36 L C -0.835 175.898 176.870 -0.228 0.000 1.057 36 L CA 0.110 54.761 54.840 -0.314 0.000 0.811 36 L CB 0.442 42.309 42.059 -0.320 0.000 1.184 36 L HN 0.843 nan 8.230 nan 0.000 0.429 37 Y N 3.293 123.397 120.300 -0.327 0.000 2.393 37 Y HA 0.587 5.138 4.550 0.002 0.000 0.341 37 Y C -0.521 175.257 175.900 -0.204 0.000 0.988 37 Y CA -0.930 56.971 58.100 -0.332 0.000 1.078 37 Y CB 1.860 40.038 38.460 -0.470 0.000 1.203 37 Y HN 0.616 nan 8.280 nan 0.000 0.453 38 T N 8.997 123.054 114.554 -0.828 0.000 3.053 38 T HA 0.200 4.551 4.350 0.002 0.000 0.363 38 T C -1.969 172.123 174.700 -1.014 0.000 1.239 38 T CA -1.211 60.465 62.100 -0.707 0.000 1.071 38 T CB 0.984 69.567 68.868 -0.475 0.000 1.089 38 T HN 0.534 nan 8.240 nan 0.000 0.527 39 P HA -0.065 nan 4.420 nan 0.000 0.215 39 P C 0.744 177.837 177.300 -0.345 0.000 1.153 39 P CA 1.048 63.755 63.100 -0.656 0.000 0.853 39 P CB 0.286 31.846 31.700 -0.233 0.000 0.788 40 L N -0.718 120.286 121.223 -0.366 0.000 2.978 40 L HA 0.258 4.600 4.340 0.002 0.000 0.239 40 L C 1.146 177.786 176.870 -0.383 0.000 1.293 40 L CA -0.593 54.034 54.840 -0.354 0.000 1.085 40 L CB -0.590 41.202 42.059 -0.444 0.000 1.432 40 L HN -0.033 nan 8.230 nan 0.000 0.512 41 K N 1.816 121.952 120.400 -0.439 0.000 2.485 41 K HA 0.036 4.357 4.320 0.002 0.000 0.277 41 K C -0.100 176.110 176.600 -0.649 0.000 0.990 41 K CA -0.010 55.928 56.287 -0.582 0.000 0.994 41 K CB 0.635 32.712 32.500 -0.704 0.000 0.906 41 K HN 0.216 nan 8.250 nan 0.000 0.488 42 E N 2.992 122.872 120.200 -0.533 0.000 2.259 42 E HA 0.094 4.445 4.350 0.002 0.000 0.281 42 E C -1.149 175.206 176.600 -0.409 0.000 1.037 42 E CA -0.191 55.996 56.400 -0.355 0.000 0.854 42 E CB 0.619 30.186 29.700 -0.222 0.000 1.051 42 E HN 0.374 nan 8.360 nan 0.000 0.409 43 Y N 1.361 121.630 120.300 -0.051 0.000 2.446 43 Y HA 0.095 4.647 4.550 0.002 0.000 0.338 43 Y C 1.295 177.180 175.900 -0.024 0.000 1.055 43 Y CA -0.778 57.300 58.100 -0.037 0.000 1.101 43 Y CB 1.229 39.668 38.460 -0.034 0.000 1.221 43 Y HN 0.520 nan 8.280 nan 0.000 0.460 44 D N 1.363 121.853 120.400 0.151 0.000 2.116 44 D HA -0.168 4.473 4.640 0.002 0.000 0.193 44 D C -0.283 176.059 176.300 0.070 0.000 0.998 44 D CA 1.752 55.800 54.000 0.079 0.000 0.836 44 D CB 0.277 41.112 40.800 0.059 0.000 0.951 44 D HN 0.686 nan 8.370 nan 0.000 0.449 45 E N 0.185 120.429 120.200 0.073 0.000 3.191 45 E HA 0.151 4.502 4.350 0.002 0.000 0.303 45 E C -0.736 175.864 176.600 0.001 0.000 1.197 45 E CA -0.328 56.092 56.400 0.032 0.000 0.901 45 E CB 1.163 30.869 29.700 0.009 0.000 1.446 45 E HN -0.016 nan 8.360 nan 0.000 0.385 46 L N 1.048 122.289 121.223 0.029 0.000 2.473 46 L HA 0.170 4.512 4.340 0.002 0.000 0.265 46 L C -0.346 176.473 176.870 -0.085 0.000 1.243 46 L CA 0.349 55.160 54.840 -0.049 0.000 0.822 46 L CB 0.517 42.621 42.059 0.076 0.000 1.101 46 L HN 0.234 nan 8.230 nan 0.000 0.507 47 N N 1.962 120.580 118.700 -0.137 0.000 2.446 47 N HA 0.329 5.070 4.740 0.002 0.000 0.265 47 N C -1.433 173.971 175.510 -0.175 0.000 0.975 47 N CA -0.408 52.554 53.050 -0.147 0.000 0.928 47 N CB 1.796 40.179 38.487 -0.173 0.000 1.160 47 N HN 0.371 nan 8.380 nan 0.000 0.495 48 V N 1.294 121.113 119.914 -0.159 0.000 2.384 48 V HA 0.534 4.655 4.120 0.002 0.000 0.287 48 V C 0.099 176.043 176.094 -0.250 0.000 1.020 48 V CA -0.918 61.264 62.300 -0.195 0.000 0.850 48 V CB 1.321 33.066 31.823 -0.129 0.000 0.987 48 V HN 0.720 nan 8.190 nan 0.000 0.436 49 A N 6.883 129.446 122.820 -0.429 0.000 2.280 49 A HA 0.698 5.020 4.320 0.002 0.000 0.320 49 A C -2.264 175.014 177.584 -0.509 0.000 1.366 49 A CA -1.651 50.022 52.037 -0.606 0.000 0.938 49 A CB 0.609 18.927 19.000 -1.137 0.000 1.157 49 A HN 0.660 nan 8.150 nan 0.000 0.536 50 P HA 0.163 nan 4.420 nan 0.000 0.262 50 P C -1.076 176.316 177.300 0.153 0.000 1.647 50 P CA 0.813 63.910 63.100 -0.005 0.000 0.865 50 P CB -1.042 30.703 31.700 0.075 0.000 1.834 51 Y N -3.917 116.434 120.300 0.085 0.000 2.713 51 Y HA 0.486 5.037 4.550 0.002 0.000 0.335 51 Y C -0.632 175.361 175.900 0.156 0.000 1.222 51 Y CA -1.919 56.239 58.100 0.096 0.000 1.061 51 Y CB 0.167 38.678 38.460 0.084 0.000 1.314 51 Y HN -0.353 nan 8.280 nan 0.000 0.453 52 N N 2.344 121.208 118.700 0.274 0.000 2.508 52 N HA 0.385 5.127 4.740 0.002 0.000 0.264 52 N C -2.600 172.982 175.510 0.120 0.000 1.216 52 N CA -1.610 51.507 53.050 0.111 0.000 0.943 52 N CB 0.295 38.814 38.487 0.054 0.000 1.113 52 N HN 0.434 nan 8.380 nan 0.000 0.447 53 P HA 0.099 nan 4.420 nan 0.000 0.273 53 P C -0.587 176.663 177.300 -0.083 0.000 1.250 53 P CA -0.337 62.502 63.100 -0.434 0.000 0.793 53 P CB 0.605 31.768 31.700 -0.895 0.000 1.011 54 V N 2.146 122.051 119.914 -0.015 0.000 2.288 54 V HA 0.113 4.234 4.120 0.002 0.000 0.266 54 V C 0.218 176.370 176.094 0.098 0.000 1.048 54 V CA -0.427 61.904 62.300 0.051 0.000 0.842 54 V CB 0.720 32.564 31.823 0.035 0.000 1.064 54 V HN 0.226 nan 8.190 nan 0.000 0.472 55 V N 4.039 124.032 119.914 0.132 0.000 2.649 55 V HA 0.180 4.301 4.120 0.002 0.000 0.292 55 V C 0.832 177.128 176.094 0.337 0.000 1.055 55 V CA -0.402 62.008 62.300 0.183 0.000 1.023 55 V CB 1.451 33.323 31.823 0.082 0.000 0.992 55 V HN 0.976 nan 8.190 nan 0.000 0.480 56 C N 3.691 123.209 119.300 0.363 0.000 2.700 56 C HA 0.207 4.668 4.460 0.002 0.000 0.397 56 C C 1.877 176.898 174.990 0.052 0.000 1.301 56 C CA 0.359 59.503 59.018 0.210 0.000 2.219 56 C CB 0.606 28.443 27.740 0.161 0.000 2.699 56 C HN 1.011 nan 8.230 nan 0.000 0.669 57 S N 1.909 117.571 115.700 -0.064 0.000 2.511 57 S HA 0.197 4.668 4.470 0.002 0.000 0.214 57 S C 1.039 175.610 174.600 -0.048 0.000 0.997 57 S CA 0.400 58.572 58.200 -0.047 0.000 0.908 57 S CB -0.132 63.024 63.200 -0.074 0.000 0.803 57 S HN 1.202 nan 8.310 nan 0.000 0.504 58 G N 3.726 112.484 108.800 -0.070 0.000 2.257 58 G HA2 0.163 4.124 3.960 0.002 0.000 0.235 58 G HA3 0.163 4.124 3.960 0.002 0.000 0.235 58 G C -2.892 172.021 174.900 0.021 0.000 1.225 58 G CA -0.543 44.533 45.100 -0.040 0.000 0.878 58 G HN 0.125 nan 8.290 nan 0.000 0.505 59 P HA 0.177 nan 4.420 nan 0.000 0.267 59 P C -0.184 177.300 177.300 0.307 0.000 1.209 59 P CA 0.271 63.486 63.100 0.192 0.000 0.763 59 P CB 0.313 32.115 31.700 0.171 0.000 0.816 60 H N -0.950 118.110 119.070 -0.017 0.000 2.861 60 H HA -0.203 4.354 4.556 0.002 0.000 0.289 60 H C 1.022 176.344 175.328 -0.010 0.000 1.176 60 H CA 0.601 56.641 56.048 -0.015 0.000 1.146 60 H CB -1.979 27.773 29.762 -0.017 0.000 1.330 60 H HN 0.491 nan 8.280 nan 0.000 0.379 61 C N -0.129 119.221 119.300 0.082 0.000 3.370 61 C HA 0.191 4.653 4.460 0.002 0.000 0.266 61 C C 1.204 176.222 174.990 0.046 0.000 1.700 61 C CA 0.892 59.945 59.018 0.058 0.000 1.602 61 C CB -0.096 27.670 27.740 0.043 0.000 1.778 61 C HN 0.784 nan 8.230 nan 0.000 0.728 62 K N 0.940 121.368 120.400 0.046 0.000 3.230 62 K HA -0.131 4.190 4.320 0.002 0.000 0.285 62 K C 0.262 176.908 176.600 0.077 0.000 1.196 62 K CA 0.273 56.590 56.287 0.050 0.000 0.838 62 K CB -1.908 30.604 32.500 0.019 0.000 1.262 62 K HN 0.548 nan 8.250 nan 0.000 0.492 63 S N 0.132 115.899 115.700 0.112 0.000 2.596 63 S HA 0.409 4.880 4.470 0.002 0.000 0.260 63 S C 0.652 175.357 174.600 0.175 0.000 1.336 63 S CA -0.169 58.114 58.200 0.138 0.000 0.993 63 S CB 0.730 64.027 63.200 0.162 0.000 0.923 63 S HN 0.237 nan 8.310 nan 0.000 0.567 64 I N 1.518 122.171 120.570 0.138 0.000 2.509 64 I HA 0.283 4.454 4.170 0.002 0.000 0.293 64 I C -0.547 175.569 176.117 -0.000 0.000 1.020 64 I CA -0.994 60.346 61.300 0.067 0.000 1.088 64 I CB 1.595 39.594 38.000 -0.002 0.000 1.267 64 I HN 0.397 nan 8.210 nan 0.000 0.430 65 L N 8.087 129.160 121.223 -0.250 0.000 2.706 65 L HA -0.036 4.305 4.340 0.002 0.000 0.282 65 L C -0.086 176.697 176.870 -0.145 0.000 1.219 65 L CA 1.052 55.584 54.840 -0.513 0.000 0.935 65 L CB -0.497 41.162 42.059 -0.667 0.000 1.204 65 L HN 0.838 nan 8.230 nan 0.000 0.491 66 N N 3.189 121.837 118.700 -0.086 0.000 2.774 66 N HA 0.465 5.207 4.740 0.002 0.000 0.264 66 N C -2.684 172.810 175.510 -0.027 0.000 1.415 66 N CA -1.668 51.388 53.050 0.010 0.000 0.815 66 N CB 1.136 39.704 38.487 0.136 0.000 1.514 66 N HN 0.134 nan 8.380 nan 0.000 0.523 67 P HA -0.065 nan 4.420 nan 0.000 0.220 67 P C 0.246 177.420 177.300 -0.210 0.000 1.144 67 P CA 1.300 64.276 63.100 -0.207 0.000 0.800 67 P CB -0.169 31.328 31.700 -0.339 0.000 0.772 68 Y N -2.380 117.968 120.300 0.079 0.000 2.470 68 Y HA 0.100 4.651 4.550 0.002 0.000 0.302 68 Y C 0.655 176.582 175.900 0.045 0.000 1.194 68 Y CA -0.594 57.576 58.100 0.116 0.000 1.271 68 Y CB -0.592 38.029 38.460 0.268 0.000 1.092 68 Y HN -0.108 nan 8.280 nan 0.000 0.513 69 C N 0.996 120.382 119.300 0.143 0.000 2.295 69 C HA 0.442 4.904 4.460 0.002 0.000 0.331 69 C C 0.539 175.611 174.990 0.137 0.000 1.280 69 C CA -1.327 57.790 59.018 0.166 0.000 1.746 69 C CB 0.161 28.026 27.740 0.208 0.000 2.328 69 C HN 0.027 nan 8.230 nan 0.000 0.521 70 V N 6.233 126.230 119.914 0.138 0.000 2.439 70 V HA 0.156 4.277 4.120 0.002 0.000 0.271 70 V C 0.354 176.530 176.094 0.137 0.000 1.040 70 V CA 0.204 62.568 62.300 0.107 0.000 1.002 70 V CB 0.168 32.038 31.823 0.078 0.000 1.000 70 V HN 0.588 nan 8.190 nan 0.000 0.477 71 I N 4.511 125.145 120.570 0.107 0.000 2.325 71 I HA 0.240 4.411 4.170 0.002 0.000 0.291 71 I C 0.378 176.549 176.117 0.090 0.000 1.019 71 I CA -0.157 61.217 61.300 0.123 0.000 1.302 71 I CB 1.097 39.145 38.000 0.079 0.000 1.401 71 I HN 0.584 nan 8.210 nan 0.000 0.485 72 D N 9.610 130.069 120.400 0.097 0.000 2.411 72 D HA 0.211 4.853 4.640 0.002 0.000 0.225 72 D C -1.823 174.517 176.300 0.066 0.000 1.156 72 D CA -1.775 52.264 54.000 0.065 0.000 0.874 72 D CB 1.849 42.679 40.800 0.050 0.000 1.034 72 D HN 0.174 nan 8.370 nan 0.000 0.502 73 P HA -0.202 nan 4.420 nan 0.000 0.203 73 P C 1.281 178.610 177.300 0.048 0.000 1.087 73 P CA 1.411 64.539 63.100 0.047 0.000 0.952 73 P CB 0.224 31.944 31.700 0.033 0.000 0.758 74 R N -1.052 119.470 120.500 0.037 0.000 2.113 74 R HA -0.220 4.122 4.340 0.002 0.000 0.244 74 R C 2.164 178.487 176.300 0.039 0.000 1.142 74 R CA 1.981 58.101 56.100 0.033 0.000 0.953 74 R CB -1.284 29.031 30.300 0.025 0.000 0.860 74 R HN 0.225 nan 8.270 nan 0.000 0.438 75 N N 0.239 118.964 118.700 0.041 0.000 2.512 75 N HA -0.070 4.671 4.740 0.002 0.000 0.183 75 N C -0.594 174.957 175.510 0.068 0.000 1.073 75 N CA 0.633 53.709 53.050 0.044 0.000 0.911 75 N CB 0.241 38.745 38.487 0.029 0.000 0.964 75 N HN 0.034 nan 8.380 nan 0.000 0.447 76 S N -0.797 114.951 115.700 0.080 0.000 3.697 76 S HA -0.146 4.325 4.470 0.002 0.000 0.388 76 S C -0.604 174.087 174.600 0.150 0.000 0.941 76 S CA 0.618 58.884 58.200 0.111 0.000 1.247 76 S CB -2.030 61.230 63.200 0.100 0.000 0.904 76 S HN 0.704 nan 8.310 nan 0.000 0.518 77 S N 0.008 115.799 115.700 0.152 0.000 2.643 77 S HA 0.891 5.363 4.470 0.002 0.000 0.270 77 S C -1.258 173.488 174.600 0.244 0.000 1.166 77 S CA -0.912 57.387 58.200 0.165 0.000 0.815 77 S CB 1.671 64.876 63.200 0.009 0.000 1.139 77 S HN 1.028 nan 8.310 nan 0.000 0.472 78 W N 0.661 121.977 121.300 0.026 0.000 2.936 78 W HA 0.743 5.404 4.660 0.002 0.000 0.338 78 W C -0.945 175.573 176.519 -0.002 0.000 1.121 78 W CA -0.834 56.523 57.345 0.020 0.000 1.209 78 W CB 0.853 30.339 29.460 0.044 0.000 1.420 78 W HN 0.972 nan 8.180 nan 0.000 0.516 79 S N 1.181 116.963 115.700 0.138 0.000 2.541 79 S HA 0.437 4.908 4.470 0.002 0.000 0.283 79 S C -0.559 174.093 174.600 0.088 0.000 1.196 79 S CA -0.551 57.634 58.200 -0.024 0.000 1.062 79 S CB 1.629 64.826 63.200 -0.004 0.000 1.009 79 S HN 0.652 nan 8.310 nan 0.000 0.502 80 C N 4.753 124.017 119.300 -0.061 0.000 2.303 80 C HA 0.532 4.994 4.460 0.002 0.000 0.341 80 C C -1.357 173.608 174.990 -0.042 0.000 1.244 80 C CA -1.728 57.321 59.018 0.052 0.000 1.765 80 C CB 0.094 27.812 27.740 -0.038 0.000 2.379 80 C HN 0.797 nan 8.230 nan 0.000 0.530 81 P HA -0.107 nan 4.420 nan 0.000 0.222 81 P C 1.351 178.465 177.300 -0.309 0.000 1.147 81 P CA 1.294 64.127 63.100 -0.446 0.000 0.790 81 P CB 0.067 31.284 31.700 -0.805 0.000 0.780 82 I N -0.743 119.768 120.570 -0.099 0.000 2.270 82 I HA -0.099 4.072 4.170 0.002 0.000 0.239 82 I C 2.270 178.385 176.117 -0.004 0.000 1.080 82 I CA 1.534 62.829 61.300 -0.010 0.000 1.383 82 I CB -1.608 36.416 38.000 0.041 0.000 1.097 82 I HN 0.155 nan 8.210 nan 0.000 0.420 83 C N -0.508 118.784 119.300 -0.015 0.000 3.065 83 C HA 0.354 4.815 4.460 0.002 0.000 0.285 83 C C 1.137 176.101 174.990 -0.044 0.000 1.257 83 C CA -0.272 58.733 59.018 -0.020 0.000 1.691 83 C CB -0.470 27.260 27.740 -0.016 0.000 2.089 83 C HN 0.628 nan 8.230 nan 0.000 0.630 84 N N 1.305 119.965 118.700 -0.065 0.000 2.965 84 N HA -0.158 4.583 4.740 0.002 0.000 0.232 84 N C 0.234 175.681 175.510 -0.104 0.000 0.913 84 N CA 1.457 54.461 53.050 -0.077 0.000 0.981 84 N CB -1.772 36.684 38.487 -0.052 0.000 1.077 84 N HN 0.910 nan 8.380 nan 0.000 0.589 85 S N 0.084 115.704 115.700 -0.132 0.000 2.603 85 S HA 0.488 4.959 4.470 0.002 0.000 0.268 85 S C 0.486 174.928 174.600 -0.263 0.000 1.317 85 S CA -0.572 57.525 58.200 -0.171 0.000 1.012 85 S CB 1.917 65.019 63.200 -0.164 0.000 0.926 85 S HN 0.186 nan 8.310 nan 0.000 0.539 86 R N 1.519 121.856 120.500 -0.270 0.000 2.441 86 R HA 0.415 4.756 4.340 0.002 0.000 0.284 86 R C -0.537 175.459 176.300 -0.506 0.000 1.070 86 R CA -0.424 55.471 56.100 -0.342 0.000 1.047 86 R CB 0.428 30.575 30.300 -0.254 0.000 1.016 86 R HN 0.645 nan 8.270 nan 0.000 0.477 87 N N 1.286 119.557 118.700 -0.715 0.000 2.295 87 N HA 0.172 4.913 4.740 0.002 0.000 0.293 87 N C -1.102 174.107 175.510 -0.503 0.000 1.040 87 N CA -0.664 51.898 53.050 -0.813 0.000 0.840 87 N CB 1.461 39.024 38.487 -1.541 0.000 1.468 87 N HN 0.433 nan 8.380 nan 0.000 0.478 88 H N 1.157 120.139 119.070 -0.146 0.000 3.001 88 H HA 0.003 4.560 4.556 0.002 0.000 0.334 88 H C -0.006 175.431 175.328 0.182 0.000 1.034 88 H CA 0.151 56.205 56.048 0.010 0.000 1.420 88 H CB 0.992 30.765 29.762 0.018 0.000 1.405 88 H HN 0.314 nan 8.280 nan 0.000 0.593 89 L N 7.269 128.705 121.223 0.355 0.000 2.281 89 L HA 0.226 4.568 4.340 0.002 0.000 0.285 89 L C -1.808 175.201 176.870 0.231 0.000 1.074 89 L CA -1.622 53.460 54.840 0.403 0.000 0.817 89 L CB 0.725 42.991 42.059 0.345 0.000 1.168 89 L HN 0.478 nan 8.230 nan 0.000 0.434 90 P HA 0.048 nan 4.420 nan 0.000 0.267 90 P C -2.278 174.990 177.300 -0.053 0.000 1.201 90 P CA -0.918 62.161 63.100 -0.034 0.000 0.775 90 P CB 0.028 31.579 31.700 -0.248 0.000 0.854 91 P HA -0.238 nan 4.420 nan 0.000 0.217 91 P C 1.643 178.920 177.300 -0.038 0.000 1.158 91 P CA 2.061 65.134 63.100 -0.046 0.000 0.887 91 P CB -0.263 31.400 31.700 -0.062 0.000 0.792 92 Q N -2.455 117.281 119.800 -0.107 0.000 2.472 92 Q HA -0.096 4.245 4.340 0.002 0.000 0.208 92 Q C 1.456 177.547 176.000 0.153 0.000 0.958 92 Q CA 1.016 56.792 55.803 -0.045 0.000 0.932 92 Q CB -0.666 27.991 28.738 -0.134 0.000 1.007 92 Q HN 0.434 nan 8.270 nan 0.000 0.508 93 Y N 0.847 121.131 120.300 -0.027 0.000 2.481 93 Y HA 0.054 4.605 4.550 0.002 0.000 0.258 93 Y C 2.047 177.951 175.900 0.005 0.000 1.103 93 Y CA -0.002 58.086 58.100 -0.019 0.000 1.287 93 Y CB 0.600 39.049 38.460 -0.017 0.000 1.108 93 Y HN 0.149 nan 8.280 nan 0.000 0.529 94 T N 0.654 115.308 114.554 0.168 0.000 2.493 94 T HA -0.296 4.055 4.350 0.002 0.000 0.256 94 T C 0.861 175.611 174.700 0.082 0.000 1.195 94 T CA 1.426 63.591 62.100 0.109 0.000 1.183 94 T CB -0.650 68.258 68.868 0.067 0.000 0.863 94 T HN 0.173 nan 8.240 nan 0.000 0.418 95 N N 1.862 120.599 118.700 0.062 0.000 2.411 95 N HA 0.306 5.048 4.740 0.002 0.000 0.259 95 N C -0.643 174.888 175.510 0.035 0.000 1.103 95 N CA -0.128 52.946 53.050 0.041 0.000 0.954 95 N CB 0.782 39.286 38.487 0.028 0.000 1.085 95 N HN 0.151 nan 8.380 nan 0.000 0.485 96 L N 2.233 123.468 121.223 0.020 0.000 2.422 96 L HA 0.704 5.045 4.340 0.002 0.000 0.263 96 L C -0.783 176.082 176.870 -0.009 0.000 1.110 96 L CA -0.211 54.628 54.840 -0.002 0.000 1.065 96 L CB 1.181 43.230 42.059 -0.018 0.000 1.701 96 L HN 0.742 nan 8.230 nan 0.000 0.548 97 S N -1.335 114.351 115.700 -0.022 0.000 2.756 97 S HA 0.123 4.594 4.470 0.002 0.000 0.295 97 S C -0.284 174.298 174.600 -0.031 0.000 0.945 97 S CA -0.615 57.572 58.200 -0.020 0.000 0.838 97 S CB 0.127 63.319 63.200 -0.014 0.000 1.042 97 S HN 0.608 nan 8.310 nan 0.000 0.467 98 Q N 0.732 120.515 119.800 -0.029 0.000 2.515 98 Q HA -0.147 4.195 4.340 0.002 0.000 0.215 98 Q C 1.298 177.277 176.000 -0.034 0.000 0.983 98 Q CA 1.684 57.466 55.803 -0.034 0.000 0.905 98 Q CB -0.201 28.520 28.738 -0.028 0.000 0.961 98 Q HN 0.805 nan 8.270 nan 0.000 0.503 99 E N 0.810 120.993 120.200 -0.028 0.000 2.021 99 E HA -0.121 4.230 4.350 0.002 0.000 0.189 99 E C 0.638 177.221 176.600 -0.029 0.000 0.980 99 E CA 1.174 57.559 56.400 -0.025 0.000 0.803 99 E CB 0.033 29.722 29.700 -0.018 0.000 0.766 99 E HN 0.430 nan 8.360 nan 0.000 0.449 100 N N 0.379 119.060 118.700 -0.032 0.000 2.546 100 N HA 0.094 4.836 4.740 0.002 0.000 0.286 100 N C -0.317 175.157 175.510 -0.061 0.000 1.259 100 N CA -0.113 52.916 53.050 -0.035 0.000 0.939 100 N CB 0.221 38.695 38.487 -0.022 0.000 1.243 100 N HN -0.075 nan 8.380 nan 0.000 0.511 101 M N 0.866 120.422 119.600 -0.074 0.000 2.245 101 M HA 0.120 4.602 4.480 0.002 0.000 0.335 101 M C -1.991 174.225 176.300 -0.140 0.000 1.155 101 M CA -1.389 53.843 55.300 -0.113 0.000 1.055 101 M CB -0.372 32.169 32.600 -0.099 0.000 1.670 101 M HN 0.124 nan 8.290 nan 0.000 0.447 102 P HA 0.095 nan 4.420 nan 0.000 0.267 102 P C 0.968 178.185 177.300 -0.138 0.000 1.205 102 P CA -0.103 62.840 63.100 -0.262 0.000 0.765 102 P CB 0.474 31.788 31.700 -0.644 0.000 0.828 103 L N 2.645 123.842 121.223 -0.045 0.000 2.021 103 L HA -0.250 4.092 4.340 0.002 0.000 0.215 103 L C 2.252 179.059 176.870 -0.106 0.000 1.074 103 L CA 1.725 56.523 54.840 -0.070 0.000 0.760 103 L CB -0.608 41.409 42.059 -0.069 0.000 0.889 103 L HN 0.552 nan 8.230 nan 0.000 0.433 104 E N 0.318 120.468 120.200 -0.084 0.000 2.472 104 E HA -0.188 4.164 4.350 0.002 0.000 0.200 104 E C 1.797 178.344 176.600 -0.090 0.000 1.046 104 E CA 0.982 57.338 56.400 -0.073 0.000 0.871 104 E CB -0.225 29.508 29.700 0.055 0.000 0.806 104 E HN 0.577 nan 8.360 nan 0.000 0.533 105 L N 0.034 121.179 121.223 -0.130 0.000 2.585 105 L HA 0.130 4.472 4.340 0.002 0.000 0.226 105 L C 2.569 179.359 176.870 -0.134 0.000 1.113 105 L CA 0.286 55.041 54.840 -0.143 0.000 0.876 105 L CB 0.030 41.983 42.059 -0.176 0.000 1.072 105 L HN 0.120 nan 8.230 nan 0.000 0.468 106 Q N -0.623 119.103 119.800 -0.124 0.000 2.394 106 Q HA 0.123 4.464 4.340 0.002 0.000 0.218 106 Q C 0.144 176.073 176.000 -0.118 0.000 0.907 106 Q CA 0.243 55.977 55.803 -0.115 0.000 0.919 106 Q CB 0.841 29.518 28.738 -0.102 0.000 1.051 106 Q HN 0.231 nan 8.270 nan 0.000 0.538 107 S N 0.314 115.943 115.700 -0.118 0.000 2.473 107 S HA 0.164 4.635 4.470 0.002 0.000 0.307 107 S C 0.463 175.010 174.600 -0.088 0.000 1.094 107 S CA -0.298 57.832 58.200 -0.117 0.000 1.070 107 S CB 1.758 64.875 63.200 -0.139 0.000 1.019 107 S HN 0.432 nan 8.310 nan 0.000 0.480 108 T N -0.504 114.009 114.554 -0.069 0.000 3.035 108 T HA 0.033 4.384 4.350 0.002 0.000 0.268 108 T C 0.637 175.368 174.700 0.051 0.000 1.109 108 T CA 0.632 62.739 62.100 0.010 0.000 1.119 108 T CB -0.115 68.785 68.868 0.054 0.000 0.900 108 T HN 0.471 nan 8.240 nan 0.000 0.503 109 T N 1.627 116.165 114.554 -0.028 0.000 2.890 109 T HA 0.715 5.067 4.350 0.002 0.000 0.295 109 T C -1.103 173.533 174.700 -0.106 0.000 0.993 109 T CA -0.602 61.483 62.100 -0.025 0.000 0.979 109 T CB 1.515 70.328 68.868 -0.091 0.000 0.967 109 T HN 0.378 nan 8.240 nan 0.000 0.441 110 I N 2.219 122.758 120.570 -0.052 0.000 3.006 110 I HA 0.565 4.736 4.170 0.002 0.000 0.306 110 I C -1.521 174.529 176.117 -0.111 0.000 1.250 110 I CA -0.901 60.304 61.300 -0.158 0.000 0.996 110 I CB 2.568 40.394 38.000 -0.290 0.000 1.261 110 I HN 0.556 nan 8.210 nan 0.000 0.442 111 E N 4.140 124.228 120.200 -0.188 0.000 2.199 111 E HA 0.399 4.750 4.350 0.002 0.000 0.265 111 E C -2.039 174.421 176.600 -0.232 0.000 0.882 111 E CA -0.493 55.864 56.400 -0.071 0.000 0.759 111 E CB 1.267 30.984 29.700 0.028 0.000 1.148 111 E HN 0.435 nan 8.360 nan 0.000 0.412 112 Y N 3.342 123.584 120.300 -0.096 0.000 2.323 112 Y HA 0.375 4.926 4.550 0.002 0.000 0.331 112 Y C 0.234 176.035 175.900 -0.164 0.000 1.092 112 Y CA -0.721 57.271 58.100 -0.180 0.000 1.150 112 Y CB 1.104 39.465 38.460 -0.164 0.000 1.200 112 Y HN 0.439 nan 8.280 nan 0.000 0.472 113 I N 3.921 124.465 120.570 -0.043 0.000 2.307 113 I HA 0.167 4.338 4.170 0.002 0.000 0.287 113 I C 0.081 176.180 176.117 -0.029 0.000 1.054 113 I CA -0.311 60.943 61.300 -0.077 0.000 1.218 113 I CB 0.586 38.520 38.000 -0.111 0.000 1.398 113 I HN 0.708 nan 8.210 nan 0.000 0.475 114 T N 4.142 118.677 114.554 -0.031 0.000 2.640 114 T HA -0.006 4.345 4.350 0.002 0.000 0.316 114 T C 1.201 175.896 174.700 -0.009 0.000 1.036 114 T CA -0.235 61.857 62.100 -0.014 0.000 1.009 114 T CB 0.290 69.137 68.868 -0.035 0.000 1.017 114 T HN 0.714 nan 8.240 nan 0.000 0.530 115 N N -0.417 118.284 118.700 0.002 0.000 2.200 115 N HA 0.025 4.766 4.740 0.002 0.000 0.224 115 N C -0.206 175.302 175.510 -0.002 0.000 1.179 115 N CA -0.297 52.756 53.050 0.005 0.000 0.877 115 N CB 0.173 38.671 38.487 0.019 0.000 1.072 115 N HN 0.433 nan 8.380 nan 0.000 0.519 116 K N 2.574 122.967 120.400 -0.011 0.000 2.312 116 K HA 0.253 4.575 4.320 0.002 0.000 0.287 116 K C -2.379 174.213 176.600 -0.012 0.000 1.062 116 K CA -1.438 54.842 56.287 -0.012 0.000 0.934 116 K CB 0.948 33.437 32.500 -0.018 0.000 1.027 116 K HN 0.075 nan 8.250 nan 0.000 0.478 117 P HA 0.092 nan 4.420 nan 0.000 0.284 117 P C -0.805 176.496 177.300 0.003 0.000 1.258 117 P CA -0.569 62.531 63.100 0.000 0.000 0.824 117 P CB 1.339 33.043 31.700 0.007 0.000 1.038 118 V N 2.744 122.662 119.914 0.007 0.000 2.385 118 V HA 0.108 4.229 4.120 0.002 0.000 0.269 118 V C 1.881 177.985 176.094 0.018 0.000 1.043 118 V CA 0.308 62.615 62.300 0.011 0.000 0.906 118 V CB 0.472 32.305 31.823 0.017 0.000 0.995 118 V HN 0.774 nan 8.190 nan 0.000 0.467 119 T N 1.977 116.543 114.554 0.019 0.000 3.054 119 T HA 0.149 4.500 4.350 0.002 0.000 0.259 119 T C 0.360 175.080 174.700 0.034 0.000 1.092 119 T CA 0.141 62.258 62.100 0.028 0.000 1.121 119 T CB 0.246 69.133 68.868 0.032 0.000 0.912 119 T HN 0.292 nan 8.240 nan 0.000 0.489 120 V N 2.800 122.725 119.914 0.018 0.000 2.588 120 V HA 0.483 4.604 4.120 0.002 0.000 0.304 120 V C -2.488 173.577 176.094 -0.049 0.000 1.042 120 V CA -2.209 60.090 62.300 -0.002 0.000 0.877 120 V CB 1.931 33.757 31.823 0.005 0.000 0.996 120 V HN 0.159 nan 8.190 nan 0.000 0.425 121 P HA 0.222 nan 4.420 nan 0.000 0.271 121 P C -2.576 174.641 177.300 -0.137 0.000 1.233 121 P CA -0.952 62.128 63.100 -0.034 0.000 0.789 121 P CB -0.158 31.549 31.700 0.012 0.000 0.951 122 P HA 0.132 nan 4.420 nan 0.000 0.269 122 P C -0.658 176.392 177.300 -0.416 0.000 1.215 122 P CA 0.573 63.455 63.100 -0.363 0.000 0.780 122 P CB 0.553 32.154 31.700 -0.164 0.000 0.898 123 I N 2.284 122.420 120.570 -0.723 0.000 2.389 123 I HA 0.320 4.491 4.170 0.002 0.000 0.288 123 I C -0.352 175.361 176.117 -0.675 0.000 0.999 123 I CA -0.676 60.283 61.300 -0.568 0.000 1.129 123 I CB 0.909 38.509 38.000 -0.666 0.000 1.288 123 I HN 0.140 nan 8.210 nan 0.000 0.444 124 F N 6.409 126.332 119.950 -0.045 0.000 2.403 124 F HA 0.370 4.898 4.527 0.002 0.000 0.355 124 F C -0.333 175.467 175.800 -0.000 0.000 1.119 124 F CA -0.569 57.390 58.000 -0.068 0.000 1.007 124 F CB 1.214 40.178 39.000 -0.061 0.000 1.194 124 F HN 0.275 nan 8.300 nan 0.000 0.443 125 F N 5.360 125.288 119.950 -0.036 0.000 2.313 125 F HA 0.464 4.993 4.527 0.002 0.000 0.369 125 F C -0.908 174.925 175.800 0.054 0.000 1.109 125 F CA -2.267 55.805 58.000 0.120 0.000 1.132 125 F CB -0.095 38.997 39.000 0.154 0.000 1.291 125 F HN 0.179 nan 8.300 nan 0.000 0.496 126 F N 4.523 124.872 119.950 0.665 0.000 2.427 126 F HA 0.407 4.935 4.527 0.002 0.000 0.352 126 F C 0.150 176.157 175.800 0.344 0.000 1.100 126 F CA -0.489 57.804 58.000 0.488 0.000 1.191 126 F CB 0.919 40.186 39.000 0.446 0.000 1.128 126 F HN -0.009 nan 8.300 nan 0.000 0.533 127 V N 4.893 125.075 119.914 0.447 0.000 2.325 127 V HA 0.328 4.449 4.120 0.002 0.000 0.280 127 V C -0.555 175.831 176.094 0.486 0.000 1.016 127 V CA -0.728 61.766 62.300 0.323 0.000 0.818 127 V CB 1.223 33.106 31.823 0.100 0.000 1.019 127 V HN 0.490 nan 8.190 nan 0.000 0.434 128 V N 3.232 123.389 119.914 0.405 0.000 2.370 128 V HA 0.365 4.487 4.120 0.002 0.000 0.283 128 V C -0.110 175.939 176.094 -0.074 0.000 1.023 128 V CA -0.552 61.887 62.300 0.231 0.000 0.857 128 V CB 1.923 33.792 31.823 0.078 0.000 0.985 128 V HN 0.913 nan 8.190 nan 0.000 0.443 129 D N 4.060 124.322 120.400 -0.231 0.000 2.325 129 D HA 0.239 4.880 4.640 0.002 0.000 0.251 129 D C 0.725 176.824 176.300 -0.334 0.000 1.196 129 D CA -0.057 53.520 54.000 -0.706 0.000 0.866 129 D CB 1.089 41.657 40.800 -0.387 0.000 1.101 129 D HN 0.464 nan 8.370 nan 0.000 0.476 130 L N 2.936 123.959 121.223 -0.335 0.000 2.599 130 L HA 0.072 4.413 4.340 0.002 0.000 0.230 130 L C 1.413 178.232 176.870 -0.084 0.000 1.141 130 L CA 0.301 55.053 54.840 -0.147 0.000 0.877 130 L CB -0.471 41.532 42.059 -0.093 0.000 1.009 130 L HN 0.520 nan 8.230 nan 0.000 0.447 131 T N -3.324 111.175 114.554 -0.092 0.000 3.341 131 T HA 0.252 4.603 4.350 0.002 0.000 0.234 131 T C 0.408 175.113 174.700 0.009 0.000 0.890 131 T CA -0.432 61.657 62.100 -0.019 0.000 0.952 131 T CB -0.279 68.590 68.868 0.001 0.000 1.146 131 T HN 0.046 nan 8.240 nan 0.000 0.591 132 S N 0.911 116.617 115.700 0.010 0.000 2.578 132 S HA 0.428 4.899 4.470 0.002 0.000 0.301 132 S C -0.069 174.549 174.600 0.029 0.000 1.091 132 S CA -1.124 57.099 58.200 0.037 0.000 1.032 132 S CB 1.522 64.762 63.200 0.067 0.000 1.064 132 S HN 0.566 nan 8.310 nan 0.000 0.508 133 E N 0.775 120.995 120.200 0.035 0.000 2.418 133 E HA 0.072 4.423 4.350 0.002 0.000 0.261 133 E C 0.769 177.381 176.600 0.021 0.000 1.070 133 E CA -0.047 56.367 56.400 0.025 0.000 0.931 133 E CB 0.345 30.059 29.700 0.023 0.000 0.954 133 E HN 0.572 nan 8.360 nan 0.000 0.439 134 T N 2.313 116.874 114.554 0.013 0.000 2.597 134 T HA -0.211 4.140 4.350 0.002 0.000 0.267 134 T C 1.372 176.076 174.700 0.007 0.000 1.053 134 T CA 1.322 63.426 62.100 0.006 0.000 1.165 134 T CB -0.116 68.754 68.868 0.004 0.000 0.863 134 T HN 0.421 nan 8.240 nan 0.000 0.427 135 E N 1.014 121.223 120.200 0.015 0.000 2.110 135 E HA -0.073 4.278 4.350 0.002 0.000 0.193 135 E C 2.201 178.822 176.600 0.035 0.000 0.988 135 E CA 0.561 56.974 56.400 0.021 0.000 0.804 135 E CB -0.576 29.140 29.700 0.026 0.000 0.745 135 E HN 0.479 nan 8.360 nan 0.000 0.458 136 N N 0.398 119.129 118.700 0.051 0.000 2.188 136 N HA -0.135 4.607 4.740 0.002 0.000 0.184 136 N C 1.864 177.422 175.510 0.080 0.000 1.018 136 N CA 0.596 53.701 53.050 0.092 0.000 0.858 136 N CB 0.008 38.558 38.487 0.106 0.000 0.989 136 N HN 0.088 nan 8.380 nan 0.000 0.426 137 L N 1.368 122.604 121.223 0.021 0.000 2.109 137 L HA -0.073 4.268 4.340 0.002 0.000 0.207 137 L C 1.832 178.645 176.870 -0.094 0.000 1.086 137 L CA 1.691 56.498 54.840 -0.055 0.000 0.760 137 L CB -0.692 41.338 42.059 -0.049 0.000 0.910 137 L HN 0.019 nan 8.230 nan 0.000 0.437 138 D N -1.528 118.841 120.400 -0.051 0.000 2.117 138 D HA -0.220 4.422 4.640 0.002 0.000 0.197 138 D C 2.307 178.570 176.300 -0.061 0.000 0.987 138 D CA 1.382 55.349 54.000 -0.056 0.000 0.829 138 D CB 0.016 40.800 40.800 -0.028 0.000 0.961 138 D HN 0.363 nan 8.370 nan 0.000 0.460 139 S N -1.129 114.554 115.700 -0.029 0.000 2.368 139 S HA -0.124 4.348 4.470 0.002 0.000 0.225 139 S C 1.876 176.440 174.600 -0.060 0.000 1.030 139 S CA 0.887 59.087 58.200 0.000 0.000 0.999 139 S CB -0.486 62.757 63.200 0.072 0.000 0.844 139 S HN 0.336 nan 8.310 nan 0.000 0.459 140 L N 1.756 122.868 121.223 -0.185 0.000 2.042 140 L HA -0.051 4.290 4.340 0.002 0.000 0.210 140 L C 2.131 178.757 176.870 -0.407 0.000 1.076 140 L CA 1.932 56.498 54.840 -0.456 0.000 0.749 140 L CB -0.655 40.939 42.059 -0.775 0.000 0.893 140 L HN 0.213 nan 8.230 nan 0.000 0.432 141 K N -0.699 119.526 120.400 -0.292 0.000 2.032 141 K HA -0.211 4.111 4.320 0.002 0.000 0.209 141 K C 2.140 178.618 176.600 -0.204 0.000 1.048 141 K CA 1.519 57.654 56.287 -0.254 0.000 0.927 141 K CB -0.361 32.033 32.500 -0.177 0.000 0.712 141 K HN 0.347 nan 8.250 nan 0.000 0.441 142 E N 0.986 121.104 120.200 -0.136 0.000 2.110 142 E HA -0.155 4.196 4.350 0.002 0.000 0.193 142 E C 1.957 178.506 176.600 -0.084 0.000 0.988 142 E CA 1.247 57.593 56.400 -0.091 0.000 0.804 142 E CB 0.099 29.772 29.700 -0.045 0.000 0.745 142 E HN 0.140 nan 8.360 nan 0.000 0.458 143 S N 0.646 116.301 115.700 -0.075 0.000 2.345 143 S HA -0.092 4.380 4.470 0.002 0.000 0.220 143 S C 2.141 176.730 174.600 -0.018 0.000 1.031 143 S CA 1.098 59.299 58.200 0.001 0.000 0.996 143 S CB -0.221 63.005 63.200 0.043 0.000 0.882 143 S HN 0.282 nan 8.310 nan 0.000 0.445 144 I N 1.411 121.831 120.570 -0.249 0.000 2.127 144 I HA -0.208 3.963 4.170 0.002 0.000 0.241 144 I C 2.086 178.029 176.117 -0.290 0.000 1.075 144 I CA 1.329 62.438 61.300 -0.318 0.000 1.334 144 I CB -0.525 37.127 38.000 -0.580 0.000 1.040 144 I HN 0.247 nan 8.210 nan 0.000 0.405 145 I N 0.473 120.887 120.570 -0.259 0.000 2.208 145 I HA -0.293 3.879 4.170 0.002 0.000 0.245 145 I C 2.568 178.571 176.117 -0.190 0.000 1.097 145 I CA 1.627 62.794 61.300 -0.222 0.000 1.363 145 I CB -0.634 37.263 38.000 -0.171 0.000 1.051 145 I HN 0.284 nan 8.210 nan 0.000 0.413 146 T N 0.225 114.691 114.554 -0.147 0.000 2.674 146 T HA -0.183 4.168 4.350 0.002 0.000 0.265 146 T C 2.109 176.680 174.700 -0.215 0.000 1.039 146 T CA 1.887 63.905 62.100 -0.135 0.000 1.150 146 T CB -0.428 68.393 68.868 -0.077 0.000 0.864 146 T HN 0.560 nan 8.240 nan 0.000 0.427 147 S N 2.253 117.792 115.700 -0.268 0.000 2.387 147 S HA -0.093 4.378 4.470 0.002 0.000 0.230 147 S C 2.107 176.360 174.600 -0.579 0.000 1.035 147 S CA 1.038 58.867 58.200 -0.618 0.000 1.014 147 S CB -1.025 61.643 63.200 -0.887 0.000 0.836 147 S HN 0.458 nan 8.310 nan 0.000 0.466 148 L N 2.307 123.301 121.223 -0.381 0.000 2.079 148 L HA -0.104 4.237 4.340 0.002 0.000 0.210 148 L C 3.094 179.821 176.870 -0.240 0.000 1.081 148 L CA 1.483 56.147 54.840 -0.293 0.000 0.752 148 L CB -0.959 40.946 42.059 -0.257 0.000 0.896 148 L HN 0.625 nan 8.230 nan 0.000 0.433 149 S N -0.301 115.267 115.700 -0.220 0.000 2.507 149 S HA -0.069 4.403 4.470 0.002 0.000 0.235 149 S C 1.705 176.212 174.600 -0.155 0.000 0.988 149 S CA 0.713 58.812 58.200 -0.168 0.000 0.944 149 S CB -0.364 62.752 63.200 -0.140 0.000 0.762 149 S HN 0.453 nan 8.310 nan 0.000 0.526 150 L N 0.186 121.287 121.223 -0.204 0.000 2.513 150 L HA 0.393 4.734 4.340 0.002 0.000 0.222 150 L C 0.769 177.567 176.870 -0.120 0.000 1.096 150 L CA -0.104 54.642 54.840 -0.157 0.000 0.857 150 L CB -0.245 41.706 42.059 -0.179 0.000 1.026 150 L HN 0.240 nan 8.230 nan 0.000 0.469 151 L N 0.575 121.697 121.223 -0.168 0.000 2.464 151 L HA 0.205 4.546 4.340 0.002 0.000 0.264 151 L C -1.961 174.899 176.870 -0.016 0.000 1.199 151 L CA -1.817 52.960 54.840 -0.106 0.000 0.818 151 L CB -0.046 41.898 42.059 -0.191 0.000 1.102 151 L HN -0.218 nan 8.230 nan 0.000 0.473 152 P HA 0.098 nan 4.420 nan 0.000 0.271 152 P C -2.072 175.266 177.300 0.065 0.000 1.220 152 P CA -0.987 62.164 63.100 0.086 0.000 0.768 152 P CB 0.361 32.159 31.700 0.164 0.000 0.848 153 P HA -0.228 nan 4.420 nan 0.000 0.216 153 P C 0.879 178.204 177.300 0.041 0.000 1.157 153 P CA 1.582 64.693 63.100 0.019 0.000 0.880 153 P CB -0.276 31.430 31.700 0.011 0.000 0.791 154 N N -0.871 117.867 118.700 0.062 0.000 2.434 154 N HA 0.073 4.814 4.740 0.002 0.000 0.196 154 N C 0.152 175.714 175.510 0.088 0.000 1.183 154 N CA 0.029 53.120 53.050 0.068 0.000 0.849 154 N CB -0.439 38.089 38.487 0.067 0.000 0.992 154 N HN -0.014 nan 8.380 nan 0.000 0.460 155 A N 1.230 124.123 122.820 0.121 0.000 2.401 155 A HA 0.397 4.718 4.320 0.002 0.000 0.259 155 A C 0.471 178.152 177.584 0.163 0.000 1.103 155 A CA -0.556 51.587 52.037 0.177 0.000 0.789 155 A CB 0.267 19.455 19.000 0.314 0.000 1.035 155 A HN 0.354 nan 8.150 nan 0.000 0.491 156 L N 3.146 124.439 121.223 0.116 0.000 2.380 156 L HA 0.269 4.611 4.340 0.002 0.000 0.273 156 L C -0.327 176.671 176.870 0.213 0.000 1.138 156 L CA -0.243 54.664 54.840 0.111 0.000 0.832 156 L CB 0.368 42.425 42.059 -0.004 0.000 1.124 156 L HN 0.480 nan 8.230 nan 0.000 0.454 157 I N 2.142 122.855 120.570 0.238 0.000 2.465 157 I HA 0.533 4.704 4.170 0.002 0.000 0.291 157 I C 0.438 176.717 176.117 0.269 0.000 1.014 157 I CA -0.206 61.291 61.300 0.328 0.000 1.093 157 I CB 1.615 39.799 38.000 0.308 0.000 1.267 157 I HN 0.592 nan 8.210 nan 0.000 0.431 158 G N 5.005 114.002 108.800 0.328 0.000 2.537 158 G HA2 0.760 4.721 3.960 0.002 0.000 0.308 158 G HA3 0.760 4.721 3.960 0.002 0.000 0.308 158 G C -1.882 173.302 174.900 0.473 0.000 1.237 158 G CA -0.491 44.639 45.100 0.051 0.000 0.968 158 G HN 0.428 nan 8.290 nan 0.000 0.481 159 L N 0.193 121.716 121.223 0.500 0.000 2.543 159 L HA 0.722 5.064 4.340 0.002 0.000 0.265 159 L C -1.428 175.832 176.870 0.650 0.000 0.945 159 L CA -0.530 54.681 54.840 0.618 0.000 0.869 159 L CB 1.775 44.052 42.059 0.363 0.000 1.294 159 L HN 0.492 nan 8.230 nan 0.000 0.405 160 I N 3.518 124.412 120.570 0.540 0.000 2.533 160 I HA 0.583 4.755 4.170 0.002 0.000 0.290 160 I C -0.566 175.789 176.117 0.396 0.000 1.056 160 I CA -0.409 61.130 61.300 0.399 0.000 1.057 160 I CB 2.603 40.694 38.000 0.152 0.000 1.240 160 I HN 0.759 nan 8.210 nan 0.000 0.423 161 T N 2.777 117.568 114.554 0.396 0.000 2.887 161 T HA 0.786 5.138 4.350 0.002 0.000 0.288 161 T C -0.870 174.002 174.700 0.288 0.000 1.021 161 T CA -0.602 61.679 62.100 0.302 0.000 1.000 161 T CB 1.972 71.033 68.868 0.320 0.000 1.034 161 T HN 0.577 nan 8.240 nan 0.000 0.467 162 Y N -0.808 119.546 120.300 0.090 0.000 2.725 162 Y HA 0.848 5.399 4.550 0.002 0.000 0.333 162 Y C 0.053 175.972 175.900 0.032 0.000 1.242 162 Y CA -0.692 57.436 58.100 0.047 0.000 1.059 162 Y CB 0.976 39.456 38.460 0.034 0.000 1.306 162 Y HN 0.997 nan 8.280 nan 0.000 0.454 163 G N 0.479 109.355 108.800 0.127 0.000 3.507 163 G HA2 0.042 4.003 3.960 0.002 0.000 0.162 163 G HA3 0.042 4.003 3.960 0.002 0.000 0.162 163 G C -0.292 174.655 174.900 0.079 0.000 1.230 163 G CA -0.166 44.945 45.100 0.018 0.000 1.412 163 G HN 0.901 nan 8.290 nan 0.000 0.723 164 N N -0.179 118.460 118.700 -0.102 0.000 2.409 164 N HA 0.129 4.870 4.740 0.002 0.000 0.179 164 N C 0.813 176.230 175.510 -0.154 0.000 1.032 164 N CA 0.936 53.858 53.050 -0.213 0.000 0.898 164 N CB 0.439 38.563 38.487 -0.606 0.000 0.971 164 N HN 0.617 nan 8.380 nan 0.000 0.441 165 V N -1.967 117.893 119.914 -0.091 0.000 3.074 165 V HA 0.713 4.834 4.120 0.002 0.000 0.314 165 V C -0.213 175.937 176.094 0.092 0.000 1.117 165 V CA -1.225 61.065 62.300 -0.015 0.000 1.014 165 V CB 1.723 33.515 31.823 -0.052 0.000 1.057 165 V HN -0.018 nan 8.190 nan 0.000 0.438 166 V N 1.177 121.160 119.914 0.115 0.000 2.495 166 V HA 0.673 4.795 4.120 0.002 0.000 0.298 166 V C -0.631 175.545 176.094 0.135 0.000 1.031 166 V CA -0.304 62.086 62.300 0.150 0.000 0.871 166 V CB 1.449 33.295 31.823 0.037 0.000 0.988 166 V HN 1.071 nan 8.190 nan 0.000 0.432 167 Q N 4.861 124.720 119.800 0.098 0.000 2.347 167 Q HA 0.539 4.880 4.340 0.002 0.000 0.262 167 Q C -0.991 174.945 176.000 -0.106 0.000 0.980 167 Q CA -0.714 55.065 55.803 -0.040 0.000 0.867 167 Q CB 2.306 30.956 28.738 -0.146 0.000 1.242 167 Q HN 0.819 nan 8.270 nan 0.000 0.453 168 L N 4.090 125.297 121.223 -0.027 0.000 2.261 168 L HA 0.241 4.582 4.340 0.002 0.000 0.289 168 L C -0.709 176.174 176.870 0.021 0.000 1.059 168 L CA -0.142 54.715 54.840 0.028 0.000 0.816 168 L CB 0.162 42.232 42.059 0.017 0.000 1.191 168 L HN 0.569 nan 8.230 nan 0.000 0.431 169 H N 3.173 122.393 119.070 0.250 0.000 2.610 169 H HA 0.252 4.809 4.556 0.002 0.000 0.336 169 H C -0.924 174.576 175.328 0.286 0.000 1.087 169 H CA -0.235 55.950 56.048 0.229 0.000 1.405 169 H CB 1.427 31.286 29.762 0.161 0.000 1.460 169 H HN 0.566 nan 8.280 nan 0.000 0.538 170 D N 2.888 123.445 120.400 0.261 0.000 2.391 170 D HA 0.173 4.814 4.640 0.002 0.000 0.245 170 D C -0.291 175.996 176.300 -0.021 0.000 1.069 170 D CA -0.616 53.382 54.000 -0.003 0.000 0.831 170 D CB 1.352 42.069 40.800 -0.137 0.000 1.204 170 D HN 0.289 nan 8.370 nan 0.000 0.503 171 L N 2.926 124.100 121.223 -0.082 0.000 3.358 171 L HA 0.107 4.448 4.340 0.002 0.000 0.301 171 L C 1.878 178.697 176.870 -0.085 0.000 1.276 171 L CA -0.061 54.751 54.840 -0.047 0.000 1.028 171 L CB 0.264 42.320 42.059 -0.006 0.000 1.421 171 L HN 0.403 nan 8.230 nan 0.000 0.604 172 S N -2.508 113.097 115.700 -0.157 0.000 2.474 172 S HA 0.035 4.506 4.470 0.002 0.000 0.235 172 S C 1.053 175.584 174.600 -0.115 0.000 0.997 172 S CA 0.504 58.612 58.200 -0.155 0.000 0.949 172 S CB -0.048 63.008 63.200 -0.239 0.000 0.766 172 S HN 0.312 nan 8.310 nan 0.000 0.517 173 S N 0.253 115.892 115.700 -0.101 0.000 2.472 173 S HA 0.390 4.862 4.470 0.002 0.000 0.303 173 S C 0.322 174.897 174.600 -0.042 0.000 1.099 173 S CA -0.734 57.421 58.200 -0.074 0.000 1.077 173 S CB 1.554 64.705 63.200 -0.081 0.000 1.031 173 S HN 0.405 nan 8.310 nan 0.000 0.487 174 E N 1.747 121.929 120.200 -0.030 0.000 2.442 174 E HA 0.005 4.357 4.350 0.002 0.000 0.195 174 E C 1.222 177.814 176.600 -0.014 0.000 1.030 174 E CA 0.852 57.244 56.400 -0.014 0.000 0.869 174 E CB 0.177 29.872 29.700 -0.008 0.000 0.857 174 E HN 0.850 nan 8.360 nan 0.000 0.505 175 T N -1.626 112.916 114.554 -0.020 0.000 3.023 175 T HA 0.241 4.593 4.350 0.002 0.000 0.253 175 T C 0.575 175.266 174.700 -0.014 0.000 1.038 175 T CA -0.171 61.919 62.100 -0.016 0.000 0.962 175 T CB 0.463 69.321 68.868 -0.017 0.000 1.018 175 T HN -0.149 nan 8.240 nan 0.000 0.521 176 I N 1.312 121.871 120.570 -0.018 0.000 2.802 176 I HA 0.433 4.604 4.170 0.002 0.000 0.298 176 I C -1.446 174.666 176.117 -0.008 0.000 1.176 176 I CA -0.801 60.491 61.300 -0.013 0.000 1.025 176 I CB 2.422 40.409 38.000 -0.022 0.000 1.243 176 I HN 0.077 nan 8.210 nan 0.000 0.424 177 D N 5.485 125.890 120.400 0.008 0.000 2.477 177 D HA 0.292 4.933 4.640 0.002 0.000 0.239 177 D C 0.034 176.357 176.300 0.040 0.000 1.102 177 D CA -0.324 53.694 54.000 0.029 0.000 0.901 177 D CB 1.142 41.968 40.800 0.043 0.000 1.026 177 D HN 0.240 nan 8.370 nan 0.000 0.515 178 R N 0.709 121.225 120.500 0.027 0.000 2.459 178 R HA 0.511 4.852 4.340 0.002 0.000 0.281 178 R C -0.309 176.038 176.300 0.078 0.000 1.050 178 R CA -0.434 55.686 56.100 0.032 0.000 1.055 178 R CB 1.878 32.173 30.300 -0.009 0.000 1.045 178 R HN 0.309 nan 8.270 nan 0.000 0.495 179 C N 3.063 122.401 119.300 0.063 0.000 2.551 179 C HA 0.361 4.823 4.460 0.002 0.000 0.332 179 C C -1.129 173.871 174.990 0.017 0.000 1.139 179 C CA -0.799 58.239 59.018 0.035 0.000 1.328 179 C CB 0.804 28.542 27.740 -0.004 0.000 1.903 179 C HN 0.796 nan 8.230 nan 0.000 0.459 180 N N 3.839 122.564 118.700 0.040 0.000 2.438 180 N HA 0.527 5.268 4.740 0.002 0.000 0.282 180 N C -0.936 174.516 175.510 -0.097 0.000 1.037 180 N CA -0.213 52.814 53.050 -0.037 0.000 0.942 180 N CB 2.152 40.658 38.487 0.031 0.000 1.136 180 N HN 0.522 nan 8.380 nan 0.000 0.481 181 V N 3.398 123.178 119.914 -0.224 0.000 2.417 181 V HA 0.500 4.621 4.120 0.002 0.000 0.291 181 V C -0.650 175.245 176.094 -0.333 0.000 1.024 181 V CA -0.593 61.617 62.300 -0.149 0.000 0.861 181 V CB 0.618 32.395 31.823 -0.077 0.000 0.985 181 V HN 0.437 nan 8.190 nan 0.000 0.436 182 F N 2.499 122.378 119.950 -0.119 0.000 2.522 182 F HA 0.630 5.158 4.527 0.002 0.000 0.324 182 F C 0.768 176.576 175.800 0.013 0.000 1.077 182 F CA -1.011 56.892 58.000 -0.162 0.000 0.944 182 F CB 1.359 40.083 39.000 -0.459 0.000 1.175 182 F HN 0.286 nan 8.300 nan 0.000 0.468 183 R N 0.263 120.995 120.500 0.386 0.000 2.643 183 R HA 0.256 4.597 4.340 0.002 0.000 0.270 183 R C 1.082 177.523 176.300 0.236 0.000 1.061 183 R CA 0.391 56.646 56.100 0.257 0.000 1.107 183 R CB 0.333 30.764 30.300 0.219 0.000 0.999 183 R HN 0.998 nan 8.270 nan 0.000 0.460 184 G N 0.856 109.708 108.800 0.087 0.000 2.838 184 G HA2 -0.136 3.825 3.960 0.002 0.000 0.210 184 G HA3 -0.136 3.825 3.960 0.002 0.000 0.210 184 G C 0.448 175.350 174.900 0.003 0.000 1.153 184 G CA 0.008 45.133 45.100 0.040 0.000 0.778 184 G HN 0.722 nan 8.290 nan 0.000 0.539 185 D N -0.614 119.786 120.400 -0.000 0.000 2.388 185 D HA 0.097 4.738 4.640 0.002 0.000 0.221 185 D C 0.703 176.970 176.300 -0.056 0.000 1.133 185 D CA -0.465 53.511 54.000 -0.040 0.000 0.831 185 D CB 0.264 41.043 40.800 -0.036 0.000 0.962 185 D HN 0.287 nan 8.370 nan 0.000 0.502 186 R N 0.490 120.970 120.500 -0.035 0.000 2.575 186 R HA 0.266 4.608 4.340 0.002 0.000 0.293 186 R C -1.203 175.047 176.300 -0.084 0.000 0.983 186 R CA -0.598 55.420 56.100 -0.137 0.000 0.887 186 R CB 1.633 31.736 30.300 -0.328 0.000 1.184 186 R HN -0.061 nan 8.270 nan 0.000 0.445 187 E N 4.533 124.676 120.200 -0.094 0.000 1.996 187 E HA 0.094 4.445 4.350 0.002 0.000 0.280 187 E C -1.148 175.459 176.600 0.012 0.000 1.092 187 E CA -0.464 55.956 56.400 0.034 0.000 0.862 187 E CB 0.360 30.098 29.700 0.063 0.000 1.066 187 E HN 0.440 nan 8.360 nan 0.000 0.396 188 Y N 2.448 122.773 120.300 0.042 0.000 2.411 188 Y HA 0.033 4.585 4.550 0.003 0.000 0.333 188 Y C 0.928 176.851 175.900 0.038 0.000 1.186 188 Y CA 0.071 58.203 58.100 0.053 0.000 1.381 188 Y CB 0.708 39.216 38.460 0.080 0.000 1.273 188 Y HN 0.449 nan 8.280 nan 0.000 0.546 189 Q N 1.698 121.602 119.800 0.173 0.000 2.256 189 Q HA 0.173 4.515 4.340 0.002 0.000 0.232 189 Q C 0.997 177.076 176.000 0.132 0.000 0.965 189 Q CA -0.735 55.135 55.803 0.111 0.000 0.908 189 Q CB 1.143 29.924 28.738 0.072 0.000 1.209 189 Q HN 0.725 nan 8.270 nan 0.000 0.489 190 L N 1.426 122.702 121.223 0.088 0.000 2.013 190 L HA -0.268 4.074 4.340 0.002 0.000 0.212 190 L C 2.175 179.103 176.870 0.096 0.000 1.073 190 L CA 2.207 57.096 54.840 0.082 0.000 0.753 190 L CB -0.438 41.656 42.059 0.058 0.000 0.890 190 L HN 0.864 nan 8.230 nan 0.000 0.432 191 E N -0.654 119.598 120.200 0.088 0.000 2.058 191 E HA -0.279 4.072 4.350 0.002 0.000 0.194 191 E C 2.061 178.730 176.600 0.114 0.000 0.997 191 E CA 1.379 57.830 56.400 0.086 0.000 0.801 191 E CB -0.256 29.483 29.700 0.066 0.000 0.746 191 E HN 0.627 nan 8.360 nan 0.000 0.450 192 A N 1.466 124.377 122.820 0.153 0.000 1.858 192 A HA -0.184 4.137 4.320 0.002 0.000 0.216 192 A C 2.291 180.014 177.584 0.231 0.000 1.190 192 A CA 1.520 53.682 52.037 0.208 0.000 0.617 192 A CB -0.928 18.259 19.000 0.313 0.000 0.827 192 A HN 0.466 nan 8.150 nan 0.000 0.443 193 L N -0.536 120.836 121.223 0.250 0.000 2.042 193 L HA -0.171 4.170 4.340 0.002 0.000 0.210 193 L C 2.521 179.496 176.870 0.176 0.000 1.076 193 L CA 2.355 57.337 54.840 0.236 0.000 0.749 193 L CB -0.524 41.609 42.059 0.123 0.000 0.893 193 L HN 0.411 nan 8.230 nan 0.000 0.432 194 T N -0.755 113.880 114.554 0.135 0.000 2.746 194 T HA -0.248 4.104 4.350 0.002 0.000 0.267 194 T C 1.685 176.456 174.700 0.118 0.000 1.039 194 T CA 1.724 63.895 62.100 0.119 0.000 1.142 194 T CB -0.182 68.743 68.868 0.093 0.000 0.866 194 T HN 0.466 nan 8.240 nan 0.000 0.444 195 E N 0.648 120.913 120.200 0.107 0.000 2.031 195 E HA -0.110 4.241 4.350 0.002 0.000 0.193 195 E C 2.271 178.925 176.600 0.091 0.000 0.994 195 E CA 1.018 57.472 56.400 0.089 0.000 0.800 195 E CB -0.169 29.577 29.700 0.077 0.000 0.752 195 E HN 0.450 nan 8.360 nan 0.000 0.447 196 M N 0.232 119.886 119.600 0.089 0.000 2.106 196 M HA -0.233 4.248 4.480 0.002 0.000 0.259 196 M C 2.175 178.516 176.300 0.068 0.000 1.068 196 M CA 1.491 56.815 55.300 0.039 0.000 1.100 196 M CB -0.202 32.372 32.600 -0.043 0.000 1.351 196 M HN 0.205 nan 8.290 nan 0.000 0.404 197 L N -1.408 119.898 121.223 0.138 0.000 2.416 197 L HA 0.007 4.348 4.340 0.002 0.000 0.216 197 L C 2.297 179.313 176.870 0.244 0.000 1.098 197 L CA 1.093 56.068 54.840 0.225 0.000 0.840 197 L CB -0.472 41.755 42.059 0.281 0.000 0.981 197 L HN 0.425 nan 8.230 nan 0.000 0.462 198 T N -5.185 109.484 114.554 0.193 0.000 2.975 198 T HA 0.251 4.602 4.350 0.002 0.000 0.257 198 T C 1.424 176.206 174.700 0.138 0.000 1.003 198 T CA 0.527 62.745 62.100 0.195 0.000 0.932 198 T CB 0.894 69.857 68.868 0.158 0.000 1.087 198 T HN 0.295 nan 8.240 nan 0.000 0.512 199 G N 1.366 110.228 108.800 0.102 0.000 2.153 199 G HA2 -0.233 3.728 3.960 0.002 0.000 0.252 199 G HA3 -0.233 3.728 3.960 0.002 0.000 0.252 199 G C -0.192 174.724 174.900 0.026 0.000 0.994 199 G CA 0.513 45.645 45.100 0.054 0.000 0.698 199 G HN 0.726 nan 8.290 nan 0.000 0.521 219 V N 3.692 123.621 119.914 0.025 0.000 2.686 219 V HA 0.652 4.773 4.120 0.002 0.000 0.295 219 V C 0.472 176.556 176.094 -0.016 0.000 1.055 219 V CA 0.501 62.805 62.300 0.006 0.000 1.050 219 V CB 1.102 32.925 31.823 0.001 0.000 0.984 219 V HN 0.978 nan 8.190 nan 0.000 0.482 220 T N 1.927 116.452 114.554 -0.047 0.000 2.762 220 T HA 0.431 4.782 4.350 0.002 0.000 0.301 220 T C -2.688 171.864 174.700 -0.247 0.000 1.299 220 T CA -1.521 60.526 62.100 -0.089 0.000 1.005 220 T CB 1.902 70.789 68.868 0.032 0.000 1.377 220 T HN 0.294 nan 8.240 nan 0.000 0.504 221 P HA 0.222 nan 4.420 nan 0.000 0.239 221 P C 0.037 176.753 177.300 -0.973 0.000 1.184 221 P CA 0.603 63.198 63.100 -0.842 0.000 0.760 221 P CB -0.274 30.754 31.700 -1.120 0.000 0.884 222 F N -2.623 117.315 119.950 -0.021 0.000 2.856 222 F HA 0.192 4.720 4.527 0.002 0.000 0.338 222 F C 0.993 176.814 175.800 0.035 0.000 1.100 222 F CA -0.543 57.464 58.000 0.012 0.000 1.150 222 F CB -0.379 38.632 39.000 0.018 0.000 1.101 222 F HN -0.254 nan 8.300 nan 0.000 0.548 223 S N 0.796 116.568 115.700 0.120 0.000 2.586 223 S HA 0.404 4.876 4.470 0.002 0.000 0.274 223 S C 0.998 175.680 174.600 0.137 0.000 1.281 223 S CA -0.645 57.625 58.200 0.117 0.000 1.035 223 S CB 1.446 64.688 63.200 0.071 0.000 0.962 223 S HN 0.296 nan 8.310 nan 0.000 0.512 224 L N 1.589 122.920 121.223 0.180 0.000 2.141 224 L HA -0.124 4.217 4.340 0.002 0.000 0.209 224 L C 2.354 179.426 176.870 0.336 0.000 1.094 224 L CA 1.146 56.158 54.840 0.287 0.000 0.763 224 L CB -0.675 41.508 42.059 0.207 0.000 0.908 224 L HN 0.844 nan 8.230 nan 0.000 0.437 225 N N 1.352 120.172 118.700 0.200 0.000 2.609 225 N HA -0.201 4.540 4.740 0.002 0.000 0.190 225 N C 1.558 177.199 175.510 0.219 0.000 1.157 225 N CA 0.525 53.739 53.050 0.273 0.000 0.918 225 N CB -0.321 38.229 38.487 0.104 0.000 0.978 225 N HN 0.554 nan 8.380 nan 0.000 0.448 226 R N -0.488 120.036 120.500 0.040 0.000 2.276 226 R HA 0.059 4.400 4.340 0.002 0.000 0.203 226 R C 0.596 176.684 176.300 -0.353 0.000 1.017 226 R CA 0.396 56.384 56.100 -0.187 0.000 1.010 226 R CB -0.559 29.528 30.300 -0.355 0.000 0.900 226 R HN 0.063 nan 8.270 nan 0.000 0.469 227 F N 0.367 120.170 119.950 -0.245 0.000 2.797 227 F HA 0.262 4.790 4.527 0.003 0.000 0.302 227 F C -0.133 175.107 175.800 -0.934 0.000 1.130 227 F CA -0.013 57.635 58.000 -0.587 0.000 1.387 227 F CB 0.321 38.861 39.000 -0.766 0.000 1.107 227 F HN -0.136 nan 8.300 nan 0.000 0.577 228 F N 1.323 121.320 119.950 0.079 0.000 2.513 228 F HA 0.481 5.009 4.527 0.002 0.000 0.358 228 F C -0.474 175.342 175.800 0.026 0.000 1.118 228 F CA -0.921 57.081 58.000 0.003 0.000 1.037 228 F CB 0.674 39.642 39.000 -0.054 0.000 1.276 228 F HN -0.341 nan 8.300 nan 0.000 0.446 229 L N 3.286 124.577 121.223 0.114 0.000 2.333 229 L HA 0.644 4.985 4.340 0.002 0.000 0.269 229 L C -2.523 174.399 176.870 0.086 0.000 1.010 229 L CA -2.590 52.300 54.840 0.082 0.000 0.818 229 L CB 1.894 43.970 42.059 0.028 0.000 1.306 229 L HN 0.194 nan 8.230 nan 0.000 0.430 230 P HA -0.075 nan 4.420 nan 0.000 0.261 230 P C 0.443 177.773 177.300 0.050 0.000 1.183 230 P CA -0.051 63.087 63.100 0.063 0.000 0.761 230 P CB 0.559 32.289 31.700 0.050 0.000 0.785 231 L N 5.032 126.288 121.223 0.056 0.000 2.079 231 L HA -0.184 4.157 4.340 0.002 0.000 0.210 231 L C 1.855 178.707 176.870 -0.030 0.000 1.081 231 L CA 1.953 56.806 54.840 0.021 0.000 0.752 231 L CB -0.971 41.105 42.059 0.028 0.000 0.896 231 L HN 0.397 nan 8.230 nan 0.000 0.433 232 E N -1.377 118.814 120.200 -0.015 0.000 2.347 232 E HA -0.247 4.105 4.350 0.002 0.000 0.196 232 E C 2.071 178.663 176.600 -0.012 0.000 1.008 232 E CA 0.788 57.169 56.400 -0.031 0.000 0.852 232 E CB 0.002 29.700 29.700 -0.004 0.000 0.783 232 E HN 0.751 nan 8.360 nan 0.000 0.505 233 Q N -0.417 119.388 119.800 0.008 0.000 2.297 233 Q HA -0.014 4.328 4.340 0.002 0.000 0.203 233 Q C 1.317 177.337 176.000 0.034 0.000 0.931 233 Q CA 0.863 56.684 55.803 0.030 0.000 0.885 233 Q CB 0.682 29.439 28.738 0.031 0.000 0.991 233 Q HN 0.227 nan 8.270 nan 0.000 0.498 234 V N 1.028 120.947 119.914 0.008 0.000 3.578 234 V HA -0.010 4.111 4.120 0.002 0.000 0.290 234 V C 1.662 177.730 176.094 -0.044 0.000 1.376 234 V CA 0.598 62.904 62.300 0.009 0.000 1.083 234 V CB 0.234 32.064 31.823 0.012 0.000 0.911 234 V HN 0.399 nan 8.190 nan 0.000 0.433 235 E N 1.541 121.655 120.200 -0.143 0.000 2.132 235 E HA -0.322 4.030 4.350 0.002 0.000 0.218 235 E C 1.839 178.230 176.600 -0.348 0.000 1.058 235 E CA 2.655 58.858 56.400 -0.328 0.000 0.882 235 E CB -0.280 29.070 29.700 -0.584 0.000 0.774 235 E HN 0.606 nan 8.360 nan 0.000 0.467 236 F N 0.475 120.407 119.950 -0.031 0.000 2.163 236 F HA -0.019 4.509 4.527 0.002 0.000 0.297 236 F C 2.683 178.459 175.800 -0.040 0.000 1.094 236 F CA 1.174 59.152 58.000 -0.036 0.000 1.290 236 F CB -0.292 38.691 39.000 -0.029 0.000 1.017 236 F HN -0.033 nan 8.300 nan 0.000 0.483 237 K N 0.791 121.276 120.400 0.143 0.000 2.103 237 K HA -0.182 4.140 4.320 0.002 0.000 0.207 237 K C 2.036 178.641 176.600 0.007 0.000 1.048 237 K CA 1.160 57.486 56.287 0.064 0.000 0.930 237 K CB -0.365 32.163 32.500 0.045 0.000 0.716 237 K HN 0.281 nan 8.250 nan 0.000 0.444 238 L N 0.956 122.166 121.223 -0.021 0.000 2.017 238 L HA -0.242 4.100 4.340 0.002 0.000 0.208 238 L C 2.075 178.889 176.870 -0.094 0.000 1.073 238 L CA 1.198 55.996 54.840 -0.069 0.000 0.745 238 L CB -0.447 41.561 42.059 -0.086 0.000 0.894 238 L HN 0.260 nan 8.230 nan 0.000 0.432 239 N N -0.533 118.119 118.700 -0.081 0.000 2.223 239 N HA -0.222 4.520 4.740 0.002 0.000 0.185 239 N C 1.750 177.227 175.510 -0.054 0.000 1.016 239 N CA 0.967 53.968 53.050 -0.081 0.000 0.863 239 N CB -0.151 38.303 38.487 -0.056 0.000 0.983 239 N HN 0.434 nan 8.380 nan 0.000 0.429 240 Q N 0.782 120.570 119.800 -0.019 0.000 2.002 240 Q HA -0.097 4.244 4.340 0.002 0.000 0.204 240 Q C 2.160 178.132 176.000 -0.048 0.000 0.988 240 Q CA 1.192 56.986 55.803 -0.015 0.000 0.843 240 Q CB -0.045 28.698 28.738 0.008 0.000 0.908 240 Q HN 0.311 nan 8.270 nan 0.000 0.420 241 L N 0.363 121.544 121.223 -0.071 0.000 1.989 241 L HA -0.252 4.089 4.340 0.002 0.000 0.211 241 L C 2.565 179.353 176.870 -0.136 0.000 1.071 241 L CA 1.096 55.866 54.840 -0.116 0.000 0.749 241 L CB -0.655 41.293 42.059 -0.185 0.000 0.890 241 L HN 0.309 nan 8.230 nan 0.000 0.431 242 L N -0.665 120.468 121.223 -0.151 0.000 2.012 242 L HA -0.212 4.130 4.340 0.002 0.000 0.210 242 L C 2.815 179.605 176.870 -0.133 0.000 1.073 242 L CA 1.166 55.905 54.840 -0.168 0.000 0.748 242 L CB -0.642 41.294 42.059 -0.204 0.000 0.891 242 L HN 0.289 nan 8.230 nan 0.000 0.431 243 E N 0.243 120.380 120.200 -0.105 0.000 2.118 243 E HA -0.180 4.171 4.350 0.002 0.000 0.195 243 E C 1.766 178.328 176.600 -0.064 0.000 0.992 243 E CA 1.027 57.379 56.400 -0.080 0.000 0.804 243 E CB -0.234 29.431 29.700 -0.058 0.000 0.741 243 E HN 0.479 nan 8.360 nan 0.000 0.458 244 N N 0.304 118.969 118.700 -0.058 0.000 2.412 244 N HA -0.034 4.707 4.740 0.002 0.000 0.184 244 N C 0.236 175.723 175.510 -0.039 0.000 1.101 244 N CA -0.042 52.984 53.050 -0.040 0.000 0.881 244 N CB -0.010 38.461 38.487 -0.027 0.000 0.969 244 N HN 0.058 nan 8.380 nan 0.000 0.459 245 L N 1.602 122.788 121.223 -0.061 0.000 2.593 245 L HA -0.075 4.267 4.340 0.002 0.000 0.287 245 L C 0.630 177.477 176.870 -0.039 0.000 1.243 245 L CA 0.407 55.215 54.840 -0.054 0.000 0.890 245 L CB -0.088 41.917 42.059 -0.089 0.000 1.134 245 L HN 0.125 nan 8.230 nan 0.000 0.502 246 S N 3.201 118.890 115.700 -0.018 0.000 2.569 246 S HA 0.790 5.261 4.470 0.002 0.000 0.280 246 S C -2.788 171.810 174.600 -0.004 0.000 1.111 246 S CA -1.722 56.472 58.200 -0.010 0.000 0.887 246 S CB 1.611 64.813 63.200 0.003 0.000 1.095 246 S HN 0.370 nan 8.310 nan 0.000 0.476 247 P HA 0.087 nan 4.420 nan 0.000 0.265 247 P C -0.616 176.700 177.300 0.026 0.000 1.187 247 P CA 0.079 63.182 63.100 0.006 0.000 0.766 247 P CB 0.248 31.956 31.700 0.012 0.000 0.820 248 D N 2.750 123.166 120.400 0.027 0.000 2.434 248 D HA -0.068 4.574 4.640 0.002 0.000 0.252 248 D C 0.596 176.957 176.300 0.101 0.000 1.185 248 D CA 0.299 54.334 54.000 0.060 0.000 0.886 248 D CB 0.641 41.467 40.800 0.042 0.000 1.148 248 D HN 0.235 nan 8.370 nan 0.000 0.483 249 Q N 3.002 122.882 119.800 0.133 0.000 2.360 249 Q HA -0.027 4.315 4.340 0.002 0.000 0.202 249 Q C -0.051 176.058 176.000 0.181 0.000 0.915 249 Q CA -0.251 55.628 55.803 0.127 0.000 0.943 249 Q CB 0.081 28.875 28.738 0.092 0.000 1.064 249 Q HN 0.521 nan 8.270 nan 0.000 0.511 250 W N 2.720 124.025 121.300 0.008 0.000 2.607 250 W HA -0.023 4.638 4.660 0.002 0.000 0.336 250 W C 0.795 177.314 176.519 0.000 0.000 1.439 250 W CA 0.261 57.610 57.345 0.006 0.000 1.346 250 W CB 0.179 29.646 29.460 0.012 0.000 1.425 250 W HN -0.124 nan 8.180 nan 0.000 0.565 251 S N 4.020 119.674 115.700 -0.078 0.000 2.673 251 S HA 0.005 4.476 4.470 0.002 0.000 0.308 251 S C -0.375 174.203 174.600 -0.036 0.000 1.246 251 S CA -0.401 57.751 58.200 -0.079 0.000 1.077 251 S CB 0.110 63.211 63.200 -0.166 0.000 0.814 251 S HN 0.433 nan 8.310 nan 0.000 0.503 252 V N 9.222 129.146 119.914 0.017 0.000 2.318 252 V HA 0.511 4.632 4.120 0.002 0.000 0.271 252 V C -1.888 174.209 176.094 0.005 0.000 1.030 252 V CA -2.204 60.120 62.300 0.039 0.000 0.844 252 V CB 0.827 32.702 31.823 0.087 0.000 1.015 252 V HN 0.905 nan 8.190 nan 0.000 0.460 253 P HA 0.146 nan 4.420 nan 0.000 0.267 253 P C 0.028 177.383 177.300 0.092 0.000 1.201 253 P CA 0.025 63.086 63.100 -0.066 0.000 0.775 253 P CB 0.702 32.242 31.700 -0.266 0.000 0.854 254 A N 1.492 124.368 122.820 0.092 0.000 2.520 254 A HA 0.388 4.709 4.320 0.002 0.000 0.235 254 A C 1.510 179.221 177.584 0.213 0.000 1.065 254 A CA 0.630 52.735 52.037 0.113 0.000 0.764 254 A CB -1.255 17.784 19.000 0.064 0.000 1.002 254 A HN 1.050 nan 8.150 nan 0.000 0.502 255 G N 0.845 109.711 108.800 0.110 0.000 2.153 255 G HA2 -0.201 3.760 3.960 0.002 0.000 0.252 255 G HA3 -0.201 3.760 3.960 0.002 0.000 0.252 255 G C -0.003 174.815 174.900 -0.137 0.000 0.994 255 G CA 1.072 46.177 45.100 0.008 0.000 0.698 255 G HN 1.289 nan 8.290 nan 0.000 0.521 256 H N -1.176 117.906 119.070 0.020 0.000 2.894 256 H HA 0.780 5.337 4.556 0.002 0.000 0.368 256 H C 0.607 175.954 175.328 0.031 0.000 1.181 256 H CA -0.739 55.326 56.048 0.029 0.000 1.146 256 H CB 1.090 30.874 29.762 0.036 0.000 1.839 256 H HN 0.296 nan 8.280 nan 0.000 0.557 257 R N 1.016 121.611 120.500 0.158 0.000 2.691 257 R HA 0.421 4.762 4.340 0.002 0.000 0.259 257 R C -2.406 173.974 176.300 0.133 0.000 1.048 257 R CA -1.840 54.324 56.100 0.107 0.000 1.086 257 R CB 0.408 30.750 30.300 0.069 0.000 1.166 257 R HN 0.391 nan 8.270 nan 0.000 0.526 258 P HA 0.093 nan 4.420 nan 0.000 0.274 258 P C -0.793 176.574 177.300 0.111 0.000 1.246 258 P CA -0.213 62.955 63.100 0.115 0.000 0.795 258 P CB 0.513 32.266 31.700 0.088 0.000 1.006 259 L N 2.095 123.388 121.223 0.117 0.000 2.268 259 L HA 0.370 4.711 4.340 0.002 0.000 0.289 259 L C 0.853 177.762 176.870 0.065 0.000 1.064 259 L CA -0.094 54.794 54.840 0.081 0.000 0.824 259 L CB 0.159 42.254 42.059 0.061 0.000 1.202 259 L HN 0.250 nan 8.230 nan 0.000 0.433 260 R N 2.932 123.485 120.500 0.089 0.000 2.275 260 R HA 0.444 4.786 4.340 0.002 0.000 0.326 260 R C -0.007 176.399 176.300 0.177 0.000 0.973 260 R CA -0.359 55.838 56.100 0.162 0.000 0.854 260 R CB 1.496 31.894 30.300 0.165 0.000 1.156 260 R HN 0.689 nan 8.270 nan 0.000 0.487 261 A N 3.442 126.389 122.820 0.210 0.000 3.135 261 A HA 0.124 4.445 4.320 0.002 0.000 0.253 261 A C 1.059 178.566 177.584 -0.128 0.000 1.638 261 A CA -0.262 51.803 52.037 0.048 0.000 1.295 261 A CB -0.161 18.849 19.000 0.017 0.000 1.106 261 A HN 0.793 nan 8.150 nan 0.000 0.648 262 T N 0.117 114.661 114.554 -0.018 0.000 2.684 262 T HA -0.150 4.202 4.350 0.002 0.000 0.267 262 T C 2.156 176.813 174.700 -0.073 0.000 1.036 262 T CA 1.942 63.965 62.100 -0.129 0.000 1.148 262 T CB -0.260 68.694 68.868 0.143 0.000 0.863 262 T HN 0.653 nan 8.240 nan 0.000 0.436 263 G N 0.751 109.572 108.800 0.036 0.000 2.459 263 G HA2 -0.260 3.701 3.960 0.002 0.000 0.217 263 G HA3 -0.260 3.701 3.960 0.002 0.000 0.217 263 G C 1.872 176.795 174.900 0.039 0.000 1.183 263 G CA 1.335 46.462 45.100 0.045 0.000 0.776 263 G HN 0.524 nan 8.290 nan 0.000 0.552 264 S N 0.810 116.458 115.700 -0.087 0.000 2.359 264 S HA -0.036 4.435 4.470 0.002 0.000 0.224 264 S C 2.752 177.274 174.600 -0.129 0.000 1.035 264 S CA 1.816 59.989 58.200 -0.046 0.000 1.018 264 S CB -0.590 62.592 63.200 -0.030 0.000 0.876 264 S HN 0.634 nan 8.310 nan 0.000 0.448 265 A N 1.597 124.241 122.820 -0.295 0.000 1.865 265 A HA -0.041 4.280 4.320 0.002 0.000 0.217 265 A C 2.270 179.689 177.584 -0.276 0.000 1.191 265 A CA 1.757 53.549 52.037 -0.408 0.000 0.623 265 A CB -1.001 17.442 19.000 -0.927 0.000 0.826 265 A HN 0.590 nan 8.150 nan 0.000 0.444 266 L N -0.648 120.473 121.223 -0.170 0.000 2.083 266 L HA -0.216 4.126 4.340 0.002 0.000 0.209 266 L C 2.552 179.376 176.870 -0.076 0.000 1.083 266 L CA 1.666 56.456 54.840 -0.084 0.000 0.752 266 L CB -0.663 41.435 42.059 0.064 0.000 0.899 266 L HN 0.573 nan 8.230 nan 0.000 0.433 267 N N 0.521 119.208 118.700 -0.022 0.000 2.069 267 N HA -0.206 4.535 4.740 0.002 0.000 0.191 267 N C 1.760 177.216 175.510 -0.091 0.000 1.031 267 N CA 1.456 54.494 53.050 -0.019 0.000 0.852 267 N CB 0.017 38.570 38.487 0.109 0.000 1.018 267 N HN 0.080 nan 8.380 nan 0.000 0.423 268 I N 0.869 121.326 120.570 -0.189 0.000 2.142 268 I HA -0.169 4.002 4.170 0.002 0.000 0.240 268 I C 2.354 178.339 176.117 -0.220 0.000 1.078 268 I CA 1.261 62.354 61.300 -0.345 0.000 1.343 268 I CB -1.808 35.815 38.000 -0.629 0.000 1.046 268 I HN 0.224 nan 8.210 nan 0.000 0.405 269 A N 1.302 123.983 122.820 -0.232 0.000 1.873 269 A HA -0.268 4.053 4.320 0.002 0.000 0.218 269 A C 2.573 180.167 177.584 0.017 0.000 1.193 269 A CA 3.054 54.956 52.037 -0.225 0.000 0.629 269 A CB -1.045 17.613 19.000 -0.569 0.000 0.826 269 A HN 0.578 nan 8.150 nan 0.000 0.447 270 S N -0.282 115.394 115.700 -0.041 0.000 2.383 270 S HA -0.035 4.436 4.470 0.002 0.000 0.227 270 S C 1.909 176.539 174.600 0.051 0.000 1.026 270 S CA 1.348 59.560 58.200 0.020 0.000 0.981 270 S CB -0.665 62.535 63.200 -0.001 0.000 0.818 270 S HN 0.435 nan 8.310 nan 0.000 0.472 271 L N 0.196 121.427 121.223 0.013 0.000 2.093 271 L HA 0.002 4.343 4.340 0.002 0.000 0.208 271 L C 2.621 179.526 176.870 0.059 0.000 1.085 271 L CA 0.919 55.775 54.840 0.025 0.000 0.755 271 L CB -0.537 41.517 42.059 -0.008 0.000 0.904 271 L HN 0.339 nan 8.230 nan 0.000 0.435 272 L N 0.003 121.274 121.223 0.080 0.000 2.005 272 L HA -0.193 4.148 4.340 0.002 0.000 0.207 272 L C 2.310 179.299 176.870 0.198 0.000 1.072 272 L CA 1.728 56.661 54.840 0.156 0.000 0.744 272 L CB -0.540 41.657 42.059 0.230 0.000 0.895 272 L HN 0.082 nan 8.230 nan 0.000 0.433 273 L N -0.585 120.734 121.223 0.161 0.000 2.079 273 L HA -0.263 4.079 4.340 0.002 0.000 0.210 273 L C 2.703 179.634 176.870 0.102 0.000 1.081 273 L CA 1.783 56.586 54.840 -0.062 0.000 0.752 273 L CB -0.548 41.253 42.059 -0.430 0.000 0.896 273 L HN 0.537 nan 8.230 nan 0.000 0.433 274 Q N -0.136 119.766 119.800 0.170 0.000 2.224 274 Q HA -0.146 4.196 4.340 0.002 0.000 0.203 274 Q C 2.049 178.111 176.000 0.103 0.000 0.970 274 Q CA 1.392 57.306 55.803 0.185 0.000 0.865 274 Q CB -0.071 28.743 28.738 0.127 0.000 0.922 274 Q HN 0.524 nan 8.270 nan 0.000 0.445 275 G N -0.092 108.760 108.800 0.087 0.000 2.448 275 G HA2 -0.195 3.767 3.960 0.002 0.000 0.218 275 G HA3 -0.195 3.767 3.960 0.002 0.000 0.218 275 G C 1.289 176.198 174.900 0.015 0.000 1.135 275 G CA 0.948 46.084 45.100 0.060 0.000 0.784 275 G HN 0.606 nan 8.290 nan 0.000 0.543 276 C N -4.144 115.142 119.300 -0.023 0.000 3.882 276 C HA 0.576 5.037 4.460 0.002 0.000 0.340 276 C C 0.497 175.146 174.990 -0.569 0.000 1.563 276 C CA -1.010 57.862 59.018 -0.244 0.000 1.870 276 C CB -0.868 26.742 27.740 -0.215 0.000 2.795 276 C HN 0.177 nan 8.230 nan 0.000 0.692 277 Y N 1.395 121.688 120.300 -0.013 0.000 2.685 277 Y HA 0.364 4.915 4.550 0.002 0.000 0.284 277 Y C 0.498 176.461 175.900 0.105 0.000 0.944 277 Y CA -0.449 57.642 58.100 -0.016 0.000 1.107 277 Y CB 0.127 38.490 38.460 -0.161 0.000 1.188 277 Y HN 0.128 nan 8.280 nan 0.000 0.635 278 K N 1.951 122.436 120.400 0.142 0.000 2.412 278 K HA 0.036 4.357 4.320 0.002 0.000 0.284 278 K C 0.098 176.705 176.600 0.011 0.000 1.046 278 K CA 0.557 56.885 56.287 0.068 0.000 0.999 278 K CB 0.156 32.671 32.500 0.024 0.000 0.941 278 K HN 0.517 nan 8.250 nan 0.000 0.474 279 N N 2.727 121.372 118.700 -0.091 0.000 2.815 279 N HA -0.163 4.579 4.740 0.002 0.000 0.249 279 N C -1.257 174.242 175.510 -0.019 0.000 1.114 279 N CA 0.784 53.786 53.050 -0.080 0.000 0.717 279 N CB -0.896 37.565 38.487 -0.042 0.000 1.074 279 N HN 0.445 nan 8.380 nan 0.000 0.555 280 I N 0.946 121.532 120.570 0.027 0.000 2.468 280 I HA 0.274 4.445 4.170 0.002 0.000 0.285 280 I C -2.089 174.027 176.117 -0.003 0.000 1.039 280 I CA -1.891 59.429 61.300 0.033 0.000 1.074 280 I CB 1.945 40.021 38.000 0.127 0.000 1.228 280 I HN -0.245 nan 8.210 nan 0.000 0.436 281 P HA 0.111 nan 4.420 nan 0.000 0.261 281 P C -0.682 176.357 177.300 -0.435 0.000 1.173 281 P CA 0.241 63.193 63.100 -0.247 0.000 0.760 281 P CB 0.913 32.364 31.700 -0.415 0.000 0.783 282 A N 3.664 126.307 122.820 -0.295 0.000 2.572 282 A HA 0.709 5.030 4.320 0.002 0.000 0.295 282 A C -0.776 176.646 177.584 -0.271 0.000 1.072 282 A CA -0.857 50.917 52.037 -0.438 0.000 0.691 282 A CB 1.750 20.443 19.000 -0.512 0.000 1.291 282 A HN 0.508 nan 8.150 nan 0.000 0.404 283 R N 1.736 122.070 120.500 -0.276 0.000 2.435 283 R HA 0.595 4.936 4.340 0.002 0.000 0.308 283 R C -1.578 174.741 176.300 0.033 0.000 0.975 283 R CA -0.393 55.680 56.100 -0.044 0.000 0.867 283 R CB 0.690 31.000 30.300 0.018 0.000 1.171 283 R HN 0.684 nan 8.270 nan 0.000 0.470 284 I N 6.614 127.218 120.570 0.057 0.000 2.337 284 I HA 0.234 4.405 4.170 0.002 0.000 0.291 284 I C -0.022 176.122 176.117 0.046 0.000 1.046 284 I CA -0.330 60.993 61.300 0.038 0.000 1.324 284 I CB 1.047 39.035 38.000 -0.020 0.000 1.409 284 I HN 0.508 nan 8.210 nan 0.000 0.494 285 I N 7.578 128.168 120.570 0.034 0.000 2.354 285 I HA 0.244 4.415 4.170 0.002 0.000 0.286 285 I C -0.496 175.564 176.117 -0.095 0.000 1.007 285 I CA -0.699 60.611 61.300 0.015 0.000 1.167 285 I CB 1.584 39.634 38.000 0.083 0.000 1.320 285 I HN 0.381 nan 8.210 nan 0.000 0.458 286 L N 7.769 128.928 121.223 -0.107 0.000 2.275 286 L HA 0.513 4.854 4.340 0.002 0.000 0.288 286 L C -1.310 175.490 176.870 -0.116 0.000 1.046 286 L CA 0.281 55.107 54.840 -0.023 0.000 0.805 286 L CB 0.566 42.658 42.059 0.056 0.000 1.193 286 L HN 0.263 nan 8.230 nan 0.000 0.426 287 F N 5.334 125.469 119.950 0.308 0.000 2.366 287 F HA 0.689 5.217 4.527 0.002 0.000 0.366 287 F C 0.387 176.375 175.800 0.313 0.000 1.096 287 F CA -0.483 57.689 58.000 0.288 0.000 1.060 287 F CB 1.393 40.342 39.000 -0.085 0.000 1.282 287 F HN 0.621 nan 8.300 nan 0.000 0.450 288 A N 1.587 124.707 122.820 0.501 0.000 2.303 288 A HA 0.589 4.910 4.320 0.002 0.000 0.320 288 A C 0.412 178.133 177.584 0.229 0.000 1.192 288 A CA -0.501 51.731 52.037 0.324 0.000 0.821 288 A CB 1.036 20.169 19.000 0.222 0.000 1.188 288 A HN 0.633 nan 8.150 nan 0.000 0.492 289 S N 0.996 116.800 115.700 0.174 0.000 2.575 289 S HA 0.439 4.911 4.470 0.002 0.000 0.215 289 S C 0.806 175.415 174.600 0.015 0.000 0.966 289 S CA 0.611 58.846 58.200 0.060 0.000 0.911 289 S CB 0.046 63.304 63.200 0.097 0.000 0.780 289 S HN 1.422 nan 8.310 nan 0.000 0.514 290 G N 1.723 110.547 108.800 0.040 0.000 2.428 290 G HA2 0.407 4.368 3.960 0.002 0.000 0.304 290 G HA3 0.407 4.368 3.960 0.002 0.000 0.304 290 G C -3.512 171.415 174.900 0.044 0.000 1.303 290 G CA -0.857 44.261 45.100 0.029 0.000 0.825 290 G HN -0.086 nan 8.290 nan 0.000 0.484 291 P HA 0.388 nan 4.420 nan 0.000 0.279 291 P C 0.380 177.718 177.300 0.063 0.000 1.252 291 P CA 0.049 63.172 63.100 0.038 0.000 0.811 291 P CB 1.329 33.044 31.700 0.025 0.000 1.035 292 G N 0.266 109.108 108.800 0.071 0.000 2.361 292 G HA2 0.342 4.303 3.960 0.002 0.000 0.260 292 G HA3 0.342 4.303 3.960 0.002 0.000 0.260 292 G C 0.759 175.675 174.900 0.027 0.000 1.261 292 G CA -0.219 44.929 45.100 0.081 0.000 0.897 292 G HN 0.584 nan 8.290 nan 0.000 0.499 293 T N -0.935 113.633 114.554 0.023 0.000 3.200 293 T HA 0.407 4.758 4.350 0.002 0.000 0.284 293 T C -0.007 174.677 174.700 -0.027 0.000 1.009 293 T CA -0.314 61.780 62.100 -0.010 0.000 0.907 293 T CB 0.279 69.163 68.868 0.026 0.000 1.120 293 T HN 0.288 nan 8.240 nan 0.000 0.534 294 V N 1.466 121.356 119.914 -0.041 0.000 2.612 294 V HA 0.768 4.889 4.120 0.002 0.000 0.301 294 V C 0.281 176.301 176.094 -0.123 0.000 1.059 294 V CA -1.488 60.775 62.300 -0.062 0.000 0.886 294 V CB 1.300 33.099 31.823 -0.039 0.000 1.007 294 V HN 0.611 nan 8.190 nan 0.000 0.426 295 A N 6.844 129.577 122.820 -0.145 0.000 2.445 295 A HA 0.675 4.996 4.320 0.002 0.000 0.242 295 A C -2.382 175.061 177.584 -0.234 0.000 1.075 295 A CA -0.938 50.963 52.037 -0.228 0.000 0.777 295 A CB -0.132 18.763 19.000 -0.175 0.000 1.013 295 A HN 0.638 nan 8.150 nan 0.000 0.493 296 P HA 0.248 nan 4.420 nan 0.000 0.269 296 P C 0.815 177.499 177.300 -1.027 0.000 1.217 296 P CA 1.563 64.184 63.100 -0.800 0.000 0.783 296 P CB 0.389 31.551 31.700 -0.896 0.000 0.898 297 G N 1.389 109.314 108.800 -1.458 0.000 2.366 297 G HA2 -0.265 3.696 3.960 0.002 0.000 0.299 297 G HA3 -0.265 3.696 3.960 0.002 0.000 0.299 297 G C -0.183 174.609 174.900 -0.180 0.000 1.020 297 G CA -0.168 44.417 45.100 -0.859 0.000 1.026 297 G HN 0.591 nan 8.290 nan 0.000 0.512 298 L N 0.389 121.504 121.223 -0.179 0.000 2.361 298 L HA 0.398 4.739 4.340 0.002 0.000 0.278 298 L C 1.491 178.340 176.870 -0.035 0.000 1.113 298 L CA -1.068 53.707 54.840 -0.108 0.000 0.849 298 L CB 0.220 42.168 42.059 -0.185 0.000 1.155 298 L HN 0.119 nan 8.230 nan 0.000 0.452 299 I N 5.170 125.741 120.570 0.001 0.000 2.703 299 I HA 0.132 4.303 4.170 0.002 0.000 0.259 299 I C 0.487 176.607 176.117 0.005 0.000 1.151 299 I CA 0.877 62.212 61.300 0.059 0.000 1.470 299 I CB 0.202 38.242 38.000 0.067 0.000 1.112 299 I HN 0.459 nan 8.210 nan 0.000 0.437 300 V N 0.719 120.546 119.914 -0.144 0.000 3.108 300 V HA 0.310 4.432 4.120 0.002 0.000 0.287 300 V C -1.080 174.881 176.094 -0.222 0.000 1.436 300 V CA -0.946 61.249 62.300 -0.175 0.000 1.001 300 V CB 2.303 34.138 31.823 0.020 0.000 1.141 300 V HN 0.122 nan 8.190 nan 0.000 0.443 301 N N 2.402 120.980 118.700 -0.203 0.000 2.371 301 N HA 0.163 4.904 4.740 0.002 0.000 0.243 301 N C 1.372 176.878 175.510 -0.007 0.000 1.287 301 N CA 0.624 53.623 53.050 -0.085 0.000 0.911 301 N CB 1.265 39.754 38.487 0.004 0.000 1.142 301 N HN 0.925 nan 8.380 nan 0.000 0.451 302 S N -0.501 115.227 115.700 0.046 0.000 2.383 302 S HA -0.162 4.309 4.470 0.002 0.000 0.227 302 S C 0.447 175.072 174.600 0.042 0.000 1.026 302 S CA 0.530 58.792 58.200 0.104 0.000 0.981 302 S CB -0.662 62.669 63.200 0.217 0.000 0.818 302 S HN 0.734 nan 8.310 nan 0.000 0.472 303 E N 2.149 122.325 120.200 -0.039 0.000 2.585 303 E HA 0.043 4.394 4.350 0.002 0.000 0.252 303 E C 0.517 177.017 176.600 -0.168 0.000 0.981 303 E CA -0.108 56.114 56.400 -0.296 0.000 0.943 303 E CB 0.290 29.889 29.700 -0.167 0.000 0.923 303 E HN 0.394 nan 8.360 nan 0.000 0.486 304 L N 3.375 124.478 121.223 -0.200 0.000 2.191 304 L HA -0.233 4.109 4.340 0.002 0.000 0.212 304 L C 2.572 179.406 176.870 -0.060 0.000 1.103 304 L CA 1.884 56.670 54.840 -0.090 0.000 0.769 304 L CB -0.548 41.466 42.059 -0.074 0.000 0.908 304 L HN 0.671 nan 8.230 nan 0.000 0.438 305 K N -0.605 119.749 120.400 -0.076 0.000 2.360 305 K HA -0.179 4.143 4.320 0.002 0.000 0.201 305 K C 0.513 177.106 176.600 -0.012 0.000 1.046 305 K CA 1.044 57.307 56.287 -0.040 0.000 0.940 305 K CB -0.286 32.190 32.500 -0.041 0.000 0.748 305 K HN 0.063 nan 8.250 nan 0.000 0.465 306 D N 3.104 123.503 120.400 -0.002 0.000 2.352 306 D HA 0.164 4.805 4.640 0.002 0.000 0.245 306 D C -2.219 174.108 176.300 0.045 0.000 1.224 306 D CA -2.509 51.518 54.000 0.045 0.000 0.879 306 D CB 1.012 41.864 40.800 0.087 0.000 1.057 306 D HN 0.170 nan 8.370 nan 0.000 0.491 307 P HA 0.154 nan 4.420 nan 0.000 0.276 307 P C -0.185 177.148 177.300 0.054 0.000 1.244 307 P CA -0.556 62.566 63.100 0.036 0.000 0.801 307 P CB 1.116 32.831 31.700 0.026 0.000 1.006 308 L N 2.776 124.021 121.223 0.037 0.000 2.360 308 L HA 0.173 4.515 4.340 0.002 0.000 0.276 308 L C 1.681 178.565 176.870 0.024 0.000 1.121 308 L CA -0.615 54.248 54.840 0.038 0.000 0.845 308 L CB 0.194 42.261 42.059 0.014 0.000 1.143 308 L HN 0.440 nan 8.230 nan 0.000 0.452 309 R N 2.621 123.141 120.500 0.033 0.000 2.638 309 R HA 0.083 4.424 4.340 0.002 0.000 0.268 309 R C -0.312 175.947 176.300 -0.068 0.000 1.006 309 R CA -0.011 56.081 56.100 -0.014 0.000 1.088 309 R CB 0.073 30.355 30.300 -0.031 0.000 0.950 309 R HN 0.660 nan 8.270 nan 0.000 0.419 310 S N 1.142 116.803 115.700 -0.065 0.000 2.739 310 S HA 0.248 4.719 4.470 0.002 0.000 0.306 310 S C 0.992 175.532 174.600 -0.101 0.000 1.115 310 S CA -0.931 57.223 58.200 -0.077 0.000 0.985 310 S CB 1.184 64.389 63.200 0.008 0.000 1.133 310 S HN 0.707 nan 8.310 nan 0.000 0.541 311 H N 0.303 119.350 119.070 -0.038 0.000 2.353 311 H HA -0.153 4.405 4.556 0.002 0.000 0.298 311 H C 2.024 177.333 175.328 -0.032 0.000 1.103 311 H CA 2.729 58.748 56.048 -0.047 0.000 1.293 311 H CB -0.569 29.187 29.762 -0.010 0.000 1.372 311 H HN 0.931 nan 8.280 nan 0.000 0.501 312 H N 0.950 120.056 119.070 0.060 0.000 2.352 312 H HA -0.104 4.454 4.556 0.003 0.000 0.299 312 H C 1.597 176.887 175.328 -0.062 0.000 1.097 312 H CA 1.818 57.869 56.048 0.004 0.000 1.311 312 H CB 0.068 29.844 29.762 0.023 0.000 1.377 312 H HN 0.291 nan 8.280 nan 0.000 0.504 313 D N -0.069 120.286 120.400 -0.075 0.000 2.144 313 D HA -0.120 4.522 4.640 0.002 0.000 0.200 313 D C 2.400 178.571 176.300 -0.214 0.000 0.978 313 D CA 1.203 55.126 54.000 -0.128 0.000 0.833 313 D CB -0.073 40.713 40.800 -0.024 0.000 0.961 313 D HN 0.486 nan 8.370 nan 0.000 0.470 314 I N 1.410 121.833 120.570 -0.245 0.000 2.202 314 I HA -0.210 3.961 4.170 0.002 0.000 0.242 314 I C 1.830 177.812 176.117 -0.225 0.000 1.091 314 I CA 1.014 62.119 61.300 -0.326 0.000 1.368 314 I CB -0.138 37.572 38.000 -0.484 0.000 1.058 314 I HN -0.140 nan 8.210 nan 0.000 0.410 315 D N 0.655 120.942 120.400 -0.188 0.000 2.144 315 D HA -0.137 4.504 4.640 0.002 0.000 0.199 315 D C 2.218 178.373 176.300 -0.242 0.000 0.984 315 D CA 1.812 55.716 54.000 -0.159 0.000 0.834 315 D CB -0.216 40.524 40.800 -0.100 0.000 0.955 315 D HN 0.356 nan 8.370 nan 0.000 0.465 316 S N -0.202 115.237 115.700 -0.435 0.000 2.603 316 S HA -0.080 4.391 4.470 0.002 0.000 0.220 316 S C 0.680 174.960 174.600 -0.534 0.000 0.967 316 S CA 0.236 58.066 58.200 -0.616 0.000 0.920 316 S CB 0.224 62.740 63.200 -1.140 0.000 0.773 316 S HN 0.105 nan 8.310 nan 0.000 0.529 317 D N 1.196 121.415 120.400 -0.302 0.000 2.746 317 D HA -0.186 4.455 4.640 0.002 0.000 0.236 317 D C -0.337 175.987 176.300 0.040 0.000 1.129 317 D CA 0.599 54.538 54.000 -0.101 0.000 0.691 317 D CB -1.803 38.976 40.800 -0.035 0.000 1.077 317 D HN 0.814 nan 8.370 nan 0.000 0.432 318 H N -1.443 117.570 119.070 -0.096 0.000 2.594 318 H HA 0.416 4.974 4.556 0.002 0.000 0.279 318 H C 0.938 176.220 175.328 -0.075 0.000 1.042 318 H CA 0.202 56.203 56.048 -0.078 0.000 1.177 318 H CB 0.766 30.479 29.762 -0.082 0.000 1.524 318 H HN 0.224 nan 8.280 nan 0.000 0.537 319 A N 1.372 124.211 122.820 0.031 0.000 2.376 319 A HA 0.069 4.390 4.320 0.002 0.000 0.298 319 A C 0.941 178.526 177.584 0.001 0.000 1.271 319 A CA -0.425 51.615 52.037 0.004 0.000 0.926 319 A CB 0.303 19.281 19.000 -0.037 0.000 1.141 319 A HN 0.481 nan 8.150 nan 0.000 0.539 320 Q N 0.777 120.497 119.800 -0.133 0.000 2.369 320 Q HA -0.085 4.256 4.340 0.002 0.000 0.206 320 Q C 0.485 176.270 176.000 -0.358 0.000 0.963 320 Q CA 1.156 56.784 55.803 -0.292 0.000 0.894 320 Q CB 0.105 28.565 28.738 -0.464 0.000 0.965 320 Q HN 0.920 nan 8.270 nan 0.000 0.475 321 H N -2.649 116.487 119.070 0.111 0.000 3.241 321 H HA 0.041 4.598 4.556 0.002 0.000 0.260 321 H C 0.953 176.363 175.328 0.136 0.000 1.084 321 H CA -0.169 55.939 56.048 0.099 0.000 1.203 321 H CB 0.103 29.914 29.762 0.081 0.000 1.524 321 H HN 0.190 nan 8.280 nan 0.000 0.521 322 Y N 3.228 123.599 120.300 0.118 0.000 2.040 322 Y HA -0.297 4.254 4.550 0.002 0.000 0.275 322 Y C 2.305 178.261 175.900 0.095 0.000 1.171 322 Y CA 2.016 60.173 58.100 0.096 0.000 1.123 322 Y CB 0.082 38.572 38.460 0.051 0.000 0.963 322 Y HN -0.022 nan 8.280 nan 0.000 0.493 323 K N -0.160 120.306 120.400 0.111 0.000 2.026 323 K HA -0.221 4.100 4.320 0.002 0.000 0.208 323 K C 2.265 178.868 176.600 0.004 0.000 1.048 323 K CA 1.741 58.041 56.287 0.022 0.000 0.929 323 K CB -0.250 32.296 32.500 0.077 0.000 0.713 323 K HN 0.220 nan 8.250 nan 0.000 0.439 324 K N 0.800 121.228 120.400 0.047 0.000 2.026 324 K HA -0.142 4.179 4.320 0.002 0.000 0.208 324 K C 2.140 178.772 176.600 0.053 0.000 1.048 324 K CA 1.327 57.643 56.287 0.049 0.000 0.929 324 K CB -0.099 32.437 32.500 0.060 0.000 0.713 324 K HN 0.142 nan 8.250 nan 0.000 0.439 325 A N 0.623 123.482 122.820 0.064 0.000 1.898 325 A HA -0.159 4.163 4.320 0.002 0.000 0.216 325 A C 2.417 180.108 177.584 0.177 0.000 1.181 325 A CA 1.575 53.689 52.037 0.128 0.000 0.620 325 A CB -0.957 18.151 19.000 0.179 0.000 0.819 325 A HN 0.553 nan 8.150 nan 0.000 0.442 326 C N -0.405 118.874 119.300 -0.034 0.000 2.429 326 C HA -0.056 4.406 4.460 0.002 0.000 0.277 326 C C 2.754 177.754 174.990 0.017 0.000 1.262 326 C CA 1.161 60.133 59.018 -0.076 0.000 1.733 326 C CB -0.731 26.810 27.740 -0.332 0.000 2.010 326 C HN 0.498 nan 8.230 nan 0.000 0.483 327 K N 0.451 120.859 120.400 0.013 0.000 2.026 327 K HA -0.134 4.188 4.320 0.002 0.000 0.208 327 K C 1.736 178.350 176.600 0.023 0.000 1.048 327 K CA 1.399 57.698 56.287 0.020 0.000 0.929 327 K CB -1.008 31.509 32.500 0.028 0.000 0.713 327 K HN 0.598 nan 8.250 nan 0.000 0.439 328 F N 0.909 120.789 119.950 -0.116 0.000 2.069 328 F HA -0.261 4.267 4.527 0.002 0.000 0.298 328 F C 2.151 177.799 175.800 -0.253 0.000 1.113 328 F CA 1.526 59.393 58.000 -0.222 0.000 1.214 328 F CB -0.638 38.145 39.000 -0.363 0.000 0.978 328 F HN -0.004 nan 8.300 nan 0.000 0.474 329 Y N 0.522 120.798 120.300 -0.039 0.000 2.274 329 Y HA -0.218 4.333 4.550 0.003 0.000 0.290 329 Y C 2.264 178.058 175.900 -0.178 0.000 1.145 329 Y CA 1.290 59.294 58.100 -0.159 0.000 1.203 329 Y CB -0.719 37.746 38.460 0.009 0.000 0.984 329 Y HN 0.127 nan 8.280 nan 0.000 0.533 330 N N -0.076 118.622 118.700 -0.004 0.000 2.309 330 N HA -0.141 4.600 4.740 0.002 0.000 0.182 330 N C 1.568 177.031 175.510 -0.079 0.000 1.018 330 N CA 1.094 54.131 53.050 -0.022 0.000 0.876 330 N CB -0.278 38.206 38.487 -0.005 0.000 0.972 330 N HN 0.539 nan 8.380 nan 0.000 0.434 331 Q N 0.191 119.893 119.800 -0.163 0.000 2.016 331 Q HA -0.008 4.333 4.340 0.002 0.000 0.200 331 Q C 1.817 177.701 176.000 -0.194 0.000 0.978 331 Q CA 0.711 56.410 55.803 -0.174 0.000 0.833 331 Q CB 0.018 28.621 28.738 -0.225 0.000 0.895 331 Q HN 0.294 nan 8.270 nan 0.000 0.427 332 I N 1.212 121.590 120.570 -0.320 0.000 2.163 332 I HA -0.268 3.903 4.170 0.002 0.000 0.243 332 I C 2.460 178.517 176.117 -0.099 0.000 1.085 332 I CA 1.433 62.584 61.300 -0.248 0.000 1.347 332 I CB -1.464 36.335 38.000 -0.334 0.000 1.044 332 I HN 0.143 nan 8.210 nan 0.000 0.408 333 A N 0.279 123.061 122.820 -0.064 0.000 1.883 333 A HA -0.268 4.053 4.320 0.002 0.000 0.217 333 A C 2.279 179.859 177.584 -0.007 0.000 1.186 333 A CA 1.780 53.812 52.037 -0.008 0.000 0.624 333 A CB -0.754 18.253 19.000 0.012 0.000 0.822 333 A HN 0.509 nan 8.150 nan 0.000 0.444 334 Q N -1.089 118.698 119.800 -0.023 0.000 2.084 334 Q HA -0.202 4.139 4.340 0.002 0.000 0.202 334 Q C 2.400 178.389 176.000 -0.018 0.000 0.978 334 Q CA 1.672 57.467 55.803 -0.014 0.000 0.844 334 Q CB -0.233 28.492 28.738 -0.022 0.000 0.898 334 Q HN 0.707 nan 8.270 nan 0.000 0.426 335 R N 0.642 121.123 120.500 -0.032 0.000 2.103 335 R HA -0.188 4.154 4.340 0.002 0.000 0.234 335 R C 2.304 178.602 176.300 -0.003 0.000 1.132 335 R CA 2.204 58.291 56.100 -0.022 0.000 0.925 335 R CB -0.533 29.747 30.300 -0.033 0.000 0.842 335 R HN 0.304 nan 8.270 nan 0.000 0.430 336 V N -1.035 118.892 119.914 0.021 0.000 2.332 336 V HA -0.122 3.999 4.120 0.002 0.000 0.248 336 V C 2.474 178.570 176.094 0.003 0.000 1.055 336 V CA 1.796 64.132 62.300 0.059 0.000 1.038 336 V CB -1.435 30.450 31.823 0.104 0.000 0.651 336 V HN 0.462 nan 8.190 nan 0.000 0.450 337 A N 0.859 123.685 122.820 0.011 0.000 1.940 337 A HA 0.018 4.339 4.320 0.002 0.000 0.219 337 A C 2.470 180.039 177.584 -0.025 0.000 1.176 337 A CA 2.490 54.533 52.037 0.010 0.000 0.631 337 A CB -1.050 17.968 19.000 0.030 0.000 0.814 337 A HN 0.960 nan 8.150 nan 0.000 0.446 338 A N -0.095 122.704 122.820 -0.035 0.000 1.969 338 A HA -0.134 4.188 4.320 0.002 0.000 0.218 338 A C 1.709 179.234 177.584 -0.097 0.000 1.169 338 A CA 1.471 53.479 52.037 -0.049 0.000 0.635 338 A CB -0.645 18.334 19.000 -0.035 0.000 0.810 338 A HN 0.718 nan 8.150 nan 0.000 0.445 339 N N -1.059 117.543 118.700 -0.163 0.000 2.336 339 N HA 0.278 5.020 4.740 0.002 0.000 0.189 339 N C 0.815 175.979 175.510 -0.575 0.000 1.113 339 N CA 0.319 53.166 53.050 -0.339 0.000 0.858 339 N CB 0.209 38.481 38.487 -0.357 0.000 0.970 339 N HN 0.555 nan 8.380 nan 0.000 0.471 340 G N 1.240 109.851 108.800 -0.315 0.000 2.176 340 G HA2 -0.276 3.685 3.960 0.002 0.000 0.252 340 G HA3 -0.276 3.685 3.960 0.002 0.000 0.252 340 G C -0.532 174.267 174.900 -0.170 0.000 1.024 340 G CA 0.079 45.055 45.100 -0.206 0.000 0.755 340 G HN 0.556 nan 8.290 nan 0.000 0.507 341 H N -0.180 118.895 119.070 0.009 0.000 2.472 341 H HA 0.598 5.156 4.556 0.002 0.000 0.338 341 H C 0.239 175.588 175.328 0.037 0.000 1.133 341 H CA -0.298 55.749 56.048 -0.001 0.000 1.216 341 H CB 1.446 31.201 29.762 -0.011 0.000 1.497 341 H HN 0.178 nan 8.280 nan 0.000 0.500 342 T N 2.384 117.053 114.554 0.192 0.000 2.907 342 T HA 0.397 4.748 4.350 0.002 0.000 0.284 342 T C -0.357 174.420 174.700 0.128 0.000 1.004 342 T CA -0.729 61.469 62.100 0.164 0.000 1.063 342 T CB 1.335 70.331 68.868 0.214 0.000 0.992 342 T HN 0.189 nan 8.240 nan 0.000 0.483 343 V N 3.109 123.089 119.914 0.111 0.000 2.482 343 V HA 0.347 4.468 4.120 0.002 0.000 0.295 343 V C -0.937 175.203 176.094 0.076 0.000 1.026 343 V CA -0.931 61.416 62.300 0.078 0.000 0.856 343 V CB 1.855 33.709 31.823 0.051 0.000 1.001 343 V HN 0.870 nan 8.190 nan 0.000 0.424 344 D N 5.004 125.458 120.400 0.090 0.000 2.185 344 D HA 0.593 5.234 4.640 0.002 0.000 0.247 344 D C -0.494 175.807 176.300 0.003 0.000 1.027 344 D CA -0.161 53.881 54.000 0.071 0.000 0.861 344 D CB 2.913 43.859 40.800 0.243 0.000 1.202 344 D HN 0.326 nan 8.370 nan 0.000 0.453 345 I N 1.957 122.443 120.570 -0.140 0.000 2.411 345 I HA 0.267 4.439 4.170 0.002 0.000 0.284 345 I C -0.857 175.134 176.117 -0.209 0.000 1.012 345 I CA -0.672 60.561 61.300 -0.112 0.000 1.119 345 I CB 0.897 38.827 38.000 -0.118 0.000 1.261 345 I HN 0.076 nan 8.210 nan 0.000 0.448 346 F N 5.035 125.021 119.950 0.060 0.000 2.402 346 F HA 0.616 5.144 4.527 0.002 0.000 0.355 346 F C 0.541 176.486 175.800 0.241 0.000 1.123 346 F CA -0.531 57.620 58.000 0.252 0.000 1.021 346 F CB 1.701 41.016 39.000 0.524 0.000 1.160 346 F HN 0.418 nan 8.300 nan 0.000 0.451 347 A N 2.313 125.238 122.820 0.174 0.000 2.292 347 A HA 0.704 5.025 4.320 0.002 0.000 0.319 347 A C 0.350 177.677 177.584 -0.428 0.000 1.206 347 A CA -0.455 51.538 52.037 -0.072 0.000 0.835 347 A CB 0.573 19.489 19.000 -0.140 0.000 1.164 347 A HN 0.918 nan 8.150 nan 0.000 0.505 348 G N 0.609 108.856 108.800 -0.923 0.000 4.487 348 G HA2 0.475 4.437 3.960 0.002 0.000 0.339 348 G HA3 0.475 4.437 3.960 0.002 0.000 0.339 348 G C -0.755 173.747 174.900 -0.662 0.000 1.482 348 G CA -0.068 44.214 45.100 -1.363 0.000 1.069 348 G HN 1.058 nan 8.290 nan 0.000 0.515 349 C N 0.996 120.053 119.300 -0.405 0.000 2.880 349 C HA 0.546 5.007 4.460 0.002 0.000 0.320 349 C C 0.686 175.566 174.990 -0.183 0.000 1.176 349 C CA -0.747 58.154 59.018 -0.195 0.000 1.390 349 C CB 0.465 28.133 27.740 -0.121 0.000 1.846 349 C HN 0.661 nan 8.230 nan 0.000 0.478 350 Y N 1.364 121.597 120.300 -0.113 0.000 2.509 350 Y HA 0.124 4.675 4.550 0.002 0.000 0.293 350 Y C 1.543 177.399 175.900 -0.073 0.000 1.133 350 Y CA 1.538 59.588 58.100 -0.083 0.000 1.283 350 Y CB 0.027 38.451 38.460 -0.059 0.000 1.001 350 Y HN 0.695 nan 8.280 nan 0.000 0.555 351 D N -1.459 118.968 120.400 0.045 0.000 2.712 351 D HA 0.194 4.836 4.640 0.002 0.000 0.252 351 D C -0.652 175.622 176.300 -0.043 0.000 1.123 351 D CA -0.524 53.478 54.000 0.004 0.000 1.109 351 D CB 1.067 41.877 40.800 0.018 0.000 1.313 351 D HN -0.028 nan 8.370 nan 0.000 0.629 352 Q N 0.186 119.960 119.800 -0.043 0.000 2.394 352 Q HA 0.281 4.623 4.340 0.002 0.000 0.248 352 Q C 0.920 176.894 176.000 -0.044 0.000 0.992 352 Q CA 0.072 55.839 55.803 -0.059 0.000 0.888 352 Q CB 1.658 30.364 28.738 -0.053 0.000 1.257 352 Q HN 0.454 nan 8.270 nan 0.000 0.462 353 I N -2.522 118.014 120.570 -0.057 0.000 4.227 353 I HA 0.411 4.583 4.170 0.002 0.000 0.334 353 I C 0.688 176.783 176.117 -0.037 0.000 1.341 353 I CA 0.201 61.479 61.300 -0.037 0.000 1.123 353 I CB 0.742 38.716 38.000 -0.044 0.000 1.097 353 I HN 0.776 nan 8.210 nan 0.000 0.399 354 G N 2.310 111.082 108.800 -0.047 0.000 2.173 354 G HA2 -0.196 3.765 3.960 0.002 0.000 0.174 354 G HA3 -0.196 3.765 3.960 0.002 0.000 0.174 354 G C 0.429 175.264 174.900 -0.108 0.000 1.025 354 G CA 0.266 45.338 45.100 -0.046 0.000 0.706 354 G HN 0.289 nan 8.290 nan 0.000 0.499 355 M N 0.315 119.856 119.600 -0.099 0.000 2.296 355 M HA -0.026 4.455 4.480 0.002 0.000 0.265 355 M C 2.628 178.888 176.300 -0.067 0.000 1.064 355 M CA 1.714 56.946 55.300 -0.114 0.000 1.109 355 M CB -0.340 32.199 32.600 -0.102 0.000 1.396 355 M HN 0.372 nan 8.290 nan 0.000 0.430 356 S N 0.785 116.480 115.700 -0.008 0.000 2.383 356 S HA -0.180 4.291 4.470 0.002 0.000 0.229 356 S C 1.625 176.265 174.600 0.067 0.000 1.030 356 S CA 1.753 59.996 58.200 0.071 0.000 1.002 356 S CB -0.014 63.268 63.200 0.137 0.000 0.829 356 S HN 0.466 nan 8.310 nan 0.000 0.467 357 E N 0.380 120.583 120.200 0.005 0.000 2.170 357 E HA 0.149 4.500 4.350 0.002 0.000 0.191 357 E C 1.990 178.510 176.600 -0.133 0.000 0.981 357 E CA 0.884 57.237 56.400 -0.078 0.000 0.830 357 E CB -0.097 29.580 29.700 -0.038 0.000 0.775 357 E HN 0.558 nan 8.360 nan 0.000 0.470 358 M N 0.115 119.546 119.600 -0.282 0.000 2.514 358 M HA 0.044 4.525 4.480 0.002 0.000 0.258 358 M C 1.940 178.158 176.300 -0.138 0.000 1.119 358 M CA 0.367 55.459 55.300 -0.347 0.000 1.111 358 M CB 0.064 32.360 32.600 -0.506 0.000 1.390 358 M HN -0.041 nan 8.290 nan 0.000 0.475 359 K N 1.411 121.759 120.400 -0.087 0.000 2.108 359 K HA -0.339 3.982 4.320 0.002 0.000 0.219 359 K C 1.903 178.491 176.600 -0.021 0.000 1.054 359 K CA 2.232 58.495 56.287 -0.040 0.000 0.945 359 K CB -0.246 32.263 32.500 0.015 0.000 0.728 359 K HN 0.383 nan 8.250 nan 0.000 0.462 360 Q N 0.221 120.022 119.800 0.002 0.000 2.234 360 Q HA -0.130 4.212 4.340 0.002 0.000 0.206 360 Q C 2.161 178.172 176.000 0.017 0.000 0.980 360 Q CA 1.132 56.946 55.803 0.018 0.000 0.869 360 Q CB -0.027 28.730 28.738 0.032 0.000 0.912 360 Q HN 0.448 nan 8.270 nan 0.000 0.436 361 L N -0.237 120.991 121.223 0.009 0.000 2.131 361 L HA -0.193 4.149 4.340 0.002 0.000 0.210 361 L C 2.505 179.389 176.870 0.025 0.000 1.092 361 L CA 1.713 56.565 54.840 0.019 0.000 0.759 361 L CB -0.430 41.635 42.059 0.011 0.000 0.903 361 L HN 0.433 nan 8.230 nan 0.000 0.435 362 T N -5.530 109.025 114.554 0.003 0.000 3.004 362 T HA -0.026 4.325 4.350 0.002 0.000 0.243 362 T C 1.354 176.082 174.700 0.048 0.000 1.020 362 T CA 0.483 62.604 62.100 0.036 0.000 1.145 362 T CB -0.275 68.570 68.868 -0.038 0.000 0.876 362 T HN 0.067 nan 8.240 nan 0.000 0.449 363 D N 1.741 122.119 120.400 -0.037 0.000 2.350 363 D HA 0.087 4.728 4.640 0.002 0.000 0.216 363 D C 1.888 178.183 176.300 -0.008 0.000 0.968 363 D CA 0.570 54.462 54.000 -0.181 0.000 0.894 363 D CB -0.199 40.495 40.800 -0.176 0.000 0.909 363 D HN 0.389 nan 8.370 nan 0.000 0.520 364 S N -1.166 114.563 115.700 0.047 0.000 2.503 364 S HA -0.009 4.463 4.470 0.002 0.000 0.217 364 S C 1.798 176.461 174.600 0.106 0.000 0.999 364 S CA 0.835 59.084 58.200 0.081 0.000 0.914 364 S CB 0.347 63.586 63.200 0.064 0.000 0.782 364 S HN 0.485 nan 8.310 nan 0.000 0.520 365 T N -2.810 111.814 114.554 0.116 0.000 2.975 365 T HA 0.464 4.816 4.350 0.002 0.000 0.261 365 T C 1.288 176.087 174.700 0.165 0.000 0.984 365 T CA 0.656 62.834 62.100 0.130 0.000 0.911 365 T CB 0.585 69.523 68.868 0.116 0.000 1.127 365 T HN 0.444 nan 8.240 nan 0.000 0.514 366 G N 0.827 109.768 108.800 0.234 0.000 2.131 366 G HA2 0.025 3.986 3.960 0.002 0.000 0.223 366 G HA3 0.025 3.986 3.960 0.002 0.000 0.223 366 G C 0.438 175.547 174.900 0.348 0.000 0.990 366 G CA -0.209 45.093 45.100 0.336 0.000 0.671 366 G HN 0.990 nan 8.290 nan 0.000 0.521 367 G N -1.194 107.773 108.800 0.278 0.000 2.599 367 G HA2 0.617 4.579 3.960 0.002 0.000 0.264 367 G HA3 0.617 4.579 3.960 0.002 0.000 0.264 367 G C 0.273 175.357 174.900 0.306 0.000 1.200 367 G CA 0.080 45.324 45.100 0.240 0.000 0.896 367 G HN 0.889 nan 8.290 nan 0.000 0.536 368 V N 0.133 120.175 119.914 0.212 0.000 2.686 368 V HA 0.400 4.521 4.120 0.002 0.000 0.295 368 V C -0.200 175.814 176.094 -0.133 0.000 1.057 368 V CA -0.424 61.988 62.300 0.187 0.000 1.012 368 V CB 1.478 33.412 31.823 0.185 0.000 1.006 368 V HN 0.510 nan 8.190 nan 0.000 0.477 369 L N 5.576 126.656 121.223 -0.237 0.000 2.427 369 L HA 0.616 4.958 4.340 0.002 0.000 0.264 369 L C -1.084 175.728 176.870 -0.097 0.000 0.989 369 L CA -0.068 54.530 54.840 -0.403 0.000 0.865 369 L CB 1.295 42.823 42.059 -0.884 0.000 1.209 369 L HN 0.603 nan 8.230 nan 0.000 0.430 370 L N 4.946 126.019 121.223 -0.250 0.000 2.356 370 L HA 0.657 4.999 4.340 0.002 0.000 0.277 370 L C -1.614 175.076 176.870 -0.300 0.000 0.996 370 L CA -0.477 54.275 54.840 -0.147 0.000 0.822 370 L CB 1.807 43.842 42.059 -0.039 0.000 1.256 370 L HN 0.562 nan 8.230 nan 0.000 0.413 371 L N 5.321 126.101 121.223 -0.738 0.000 2.295 371 L HA 0.711 5.052 4.340 0.002 0.000 0.281 371 L C -0.115 176.482 176.870 -0.456 0.000 1.018 371 L CA 0.249 54.709 54.840 -0.633 0.000 0.841 371 L CB 1.195 42.727 42.059 -0.878 0.000 1.218 371 L HN 0.860 nan 8.230 nan 0.000 0.424 372 T N -0.774 113.621 114.554 -0.265 0.000 2.926 372 T HA 0.441 4.792 4.350 0.002 0.000 0.289 372 T C 0.418 174.918 174.700 -0.333 0.000 1.054 372 T CA -0.685 61.291 62.100 -0.207 0.000 1.015 372 T CB 1.339 70.191 68.868 -0.026 0.000 1.167 372 T HN 0.421 nan 8.240 nan 0.000 0.526 373 D N 0.673 120.845 120.400 -0.380 0.000 2.234 373 D HA 0.367 5.008 4.640 0.002 0.000 0.205 373 D C 0.770 176.672 176.300 -0.663 0.000 0.962 373 D CA 1.131 54.710 54.000 -0.701 0.000 0.855 373 D CB 0.138 40.374 40.800 -0.939 0.000 0.951 373 D HN 0.916 nan 8.370 nan 0.000 0.500 374 A N -1.164 121.405 122.820 -0.419 0.000 2.583 374 A HA 0.379 4.700 4.320 0.002 0.000 0.292 374 A C -0.587 176.812 177.584 -0.310 0.000 1.045 374 A CA -0.744 51.086 52.037 -0.345 0.000 0.672 374 A CB -0.310 18.647 19.000 -0.071 0.000 1.283 374 A HN -0.035 nan 8.150 nan 0.000 0.419 375 F N 1.113 120.928 119.950 -0.225 0.000 2.771 375 F HA -0.069 4.459 4.527 0.002 0.000 0.299 375 F C 2.413 178.198 175.800 -0.026 0.000 1.177 375 F CA 1.336 59.099 58.000 -0.395 0.000 1.450 375 F CB 0.373 39.045 39.000 -0.547 0.000 1.114 375 F HN 0.605 nan 8.300 nan 0.000 0.587 376 S N -1.588 114.210 115.700 0.163 0.000 2.524 376 S HA -0.012 4.459 4.470 0.002 0.000 0.216 376 S C 0.991 175.690 174.600 0.165 0.000 0.987 376 S CA 0.066 58.360 58.200 0.158 0.000 0.909 376 S CB -1.050 62.215 63.200 0.108 0.000 0.781 376 S HN 0.246 nan 8.310 nan 0.000 0.521 377 T N -0.625 114.031 114.554 0.171 0.000 2.898 377 T HA 0.672 5.024 4.350 0.002 0.000 0.301 377 T C 1.425 176.243 174.700 0.197 0.000 1.049 377 T CA -0.185 62.007 62.100 0.153 0.000 1.095 377 T CB 1.265 70.196 68.868 0.105 0.000 0.976 377 T HN 0.233 nan 8.240 nan 0.000 0.539 378 A N 2.424 125.325 122.820 0.136 0.000 1.902 378 A HA 0.013 4.334 4.320 0.002 0.000 0.217 378 A C 2.298 179.962 177.584 0.133 0.000 1.181 378 A CA 1.354 53.462 52.037 0.118 0.000 0.623 378 A CB -0.977 18.068 19.000 0.075 0.000 0.818 378 A HN 0.924 nan 8.150 nan 0.000 0.443 379 I N -1.744 118.910 120.570 0.140 0.000 2.151 379 I HA -0.295 3.877 4.170 0.002 0.000 0.243 379 I C 2.390 178.632 176.117 0.209 0.000 1.080 379 I CA 2.073 63.461 61.300 0.146 0.000 1.339 379 I CB -0.392 37.687 38.000 0.131 0.000 1.039 379 I HN 0.507 nan 8.210 nan 0.000 0.409 380 F N 1.935 121.990 119.950 0.175 0.000 2.060 380 F HA -0.182 4.346 4.527 0.002 0.000 0.295 380 F C 2.477 178.471 175.800 0.323 0.000 1.120 380 F CA 1.618 59.788 58.000 0.283 0.000 1.205 380 F CB -0.376 38.798 39.000 0.290 0.000 0.986 380 F HN -0.184 nan 8.300 nan 0.000 0.470 381 K N 0.001 120.451 120.400 0.084 0.000 2.044 381 K HA -0.243 4.078 4.320 0.002 0.000 0.210 381 K C 2.057 178.666 176.600 0.014 0.000 1.049 381 K CA 2.251 58.545 56.287 0.012 0.000 0.927 381 K CB -0.474 32.131 32.500 0.175 0.000 0.713 381 K HN 0.501 nan 8.250 nan 0.000 0.443 382 Q N 0.224 120.060 119.800 0.061 0.000 2.137 382 Q HA -0.029 4.312 4.340 0.002 0.000 0.198 382 Q C 2.308 178.380 176.000 0.119 0.000 0.960 382 Q CA 1.028 56.875 55.803 0.073 0.000 0.847 382 Q CB 0.048 28.824 28.738 0.064 0.000 0.915 382 Q HN 0.171 nan 8.270 nan 0.000 0.448 383 S N 0.546 116.339 115.700 0.154 0.000 2.356 383 S HA -0.190 4.282 4.470 0.002 0.000 0.223 383 S C 1.680 176.552 174.600 0.452 0.000 1.032 383 S CA 1.238 59.629 58.200 0.319 0.000 1.005 383 S CB -0.433 62.917 63.200 0.249 0.000 0.867 383 S HN 0.418 nan 8.310 nan 0.000 0.449 384 Y N 2.328 122.660 120.300 0.053 0.000 2.081 384 Y HA -0.145 4.407 4.550 0.002 0.000 0.280 384 Y C 1.870 177.884 175.900 0.189 0.000 1.163 384 Y CA 1.378 59.435 58.100 -0.071 0.000 1.135 384 Y CB -0.637 37.410 38.460 -0.689 0.000 0.970 384 Y HN 0.164 nan 8.280 nan 0.000 0.498 385 L N -0.114 121.099 121.223 -0.016 0.000 2.201 385 L HA -0.172 4.169 4.340 0.002 0.000 0.212 385 L C 2.635 179.554 176.870 0.081 0.000 1.105 385 L CA 1.507 56.357 54.840 0.017 0.000 0.775 385 L CB -0.504 41.563 42.059 0.014 0.000 0.913 385 L HN 0.150 nan 8.230 nan 0.000 0.440 386 R N 0.512 121.047 120.500 0.059 0.000 2.189 386 R HA -0.172 4.170 4.340 0.002 0.000 0.223 386 R C 2.185 178.355 176.300 -0.216 0.000 1.092 386 R CA 0.769 56.864 56.100 -0.008 0.000 0.989 386 R CB -0.131 30.228 30.300 0.097 0.000 0.876 386 R HN 0.211 nan 8.270 nan 0.000 0.457 387 L N 0.217 121.228 121.223 -0.353 0.000 2.265 387 L HA -0.046 4.295 4.340 0.002 0.000 0.215 387 L C 0.353 176.766 176.870 -0.760 0.000 1.117 387 L CA 1.606 56.036 54.840 -0.682 0.000 0.782 387 L CB -0.070 41.561 42.059 -0.714 0.000 0.914 387 L HN 0.115 nan 8.230 nan 0.000 0.441 388 F N 0.246 120.090 119.950 -0.177 0.000 2.819 388 F HA 0.499 5.028 4.527 0.002 0.000 0.294 388 F C 1.167 176.914 175.800 -0.089 0.000 1.166 388 F CA -0.339 57.583 58.000 -0.130 0.000 1.374 388 F CB -1.165 37.721 39.000 -0.190 0.000 0.956 388 F HN 0.004 nan 8.300 nan 0.000 0.509 389 A N 0.622 123.439 122.820 -0.004 0.000 2.498 389 A HA 0.424 4.746 4.320 0.002 0.000 0.239 389 A C 0.330 177.936 177.584 0.036 0.000 1.068 389 A CA -0.275 51.772 52.037 0.017 0.000 0.766 389 A CB 0.276 19.278 19.000 0.003 0.000 1.003 389 A HN 0.289 nan 8.150 nan 0.000 0.497 390 K N 1.200 121.625 120.400 0.041 0.000 2.095 390 K HA 0.440 4.762 4.320 0.002 0.000 0.252 390 K C 0.034 176.669 176.600 0.057 0.000 0.977 390 K CA -0.569 55.749 56.287 0.051 0.000 0.900 390 K CB 0.806 33.323 32.500 0.028 0.000 1.060 390 K HN 0.798 nan 8.250 nan 0.000 0.449 391 D N 0.065 120.518 120.400 0.089 0.000 2.506 391 D HA 0.073 4.715 4.640 0.002 0.000 0.272 391 D C 0.435 176.792 176.300 0.095 0.000 1.214 391 D CA -0.366 53.694 54.000 0.099 0.000 1.067 391 D CB 0.468 41.358 40.800 0.150 0.000 1.117 391 D HN 0.336 nan 8.370 nan 0.000 0.578 392 E N -0.066 120.190 120.200 0.093 0.000 2.147 392 E HA -0.224 4.128 4.350 0.002 0.000 0.199 392 E C 1.222 177.867 176.600 0.075 0.000 1.005 392 E CA 1.516 57.960 56.400 0.074 0.000 0.810 392 E CB -0.167 29.576 29.700 0.071 0.000 0.736 392 E HN 0.575 nan 8.360 nan 0.000 0.460 393 E N -1.034 119.247 120.200 0.135 0.000 2.465 393 E HA 0.225 4.576 4.350 0.002 0.000 0.191 393 E C 0.862 177.391 176.600 -0.119 0.000 1.053 393 E CA 0.508 56.968 56.400 0.101 0.000 0.869 393 E CB 0.526 30.408 29.700 0.303 0.000 0.977 393 E HN 0.331 nan 8.360 nan 0.000 0.483 394 G N -0.035 108.707 108.800 -0.096 0.000 2.131 394 G HA2 -0.288 3.673 3.960 0.002 0.000 0.223 394 G HA3 -0.288 3.673 3.960 0.002 0.000 0.223 394 G C -0.392 174.328 174.900 -0.300 0.000 0.990 394 G CA -0.306 44.664 45.100 -0.216 0.000 0.671 394 G HN 0.262 nan 8.290 nan 0.000 0.521 395 Y N -0.524 119.820 120.300 0.074 0.000 2.496 395 Y HA 0.683 5.234 4.550 0.002 0.000 0.331 395 Y C 1.265 177.192 175.900 0.045 0.000 1.140 395 Y CA -1.226 56.921 58.100 0.079 0.000 1.166 395 Y CB 0.929 39.466 38.460 0.128 0.000 1.249 395 Y HN 0.074 nan 8.280 nan 0.000 0.479 396 L N 2.449 123.799 121.223 0.212 0.000 2.455 396 L HA 0.061 4.403 4.340 0.002 0.000 0.272 396 L C 1.258 178.142 176.870 0.023 0.000 1.174 396 L CA 0.106 55.018 54.840 0.118 0.000 0.869 396 L CB 0.525 42.686 42.059 0.170 0.000 1.130 396 L HN 0.750 nan 8.230 nan 0.000 0.474 397 K N 2.931 123.322 120.400 -0.016 0.000 2.057 397 K HA -0.107 4.214 4.320 0.002 0.000 0.207 397 K C 0.862 177.352 176.600 -0.183 0.000 1.049 397 K CA 1.040 57.275 56.287 -0.087 0.000 0.931 397 K CB -0.061 32.404 32.500 -0.059 0.000 0.714 397 K HN 0.647 nan 8.250 nan 0.000 0.440 398 M N 0.375 119.861 119.600 -0.189 0.000 2.235 398 M HA 0.092 4.574 4.480 0.002 0.000 0.336 398 M C -0.320 175.710 176.300 -0.450 0.000 1.146 398 M CA 0.371 55.473 55.300 -0.331 0.000 1.018 398 M CB 0.482 32.878 32.600 -0.339 0.000 1.694 398 M HN -0.047 nan 8.290 nan 0.000 0.451 399 A N 3.300 125.779 122.820 -0.568 0.000 2.386 399 A HA 0.972 5.294 4.320 0.002 0.000 0.308 399 A C -1.348 175.843 177.584 -0.654 0.000 1.128 399 A CA -0.825 50.952 52.037 -0.434 0.000 0.789 399 A CB 1.106 19.956 19.000 -0.250 0.000 1.325 399 A HN 0.864 nan 8.150 nan 0.000 0.437 400 F N -0.803 119.173 119.950 0.042 0.000 2.664 400 F HA 0.516 5.044 4.527 0.002 0.000 0.329 400 F C 0.770 176.604 175.800 0.056 0.000 1.090 400 F CA -0.370 57.639 58.000 0.016 0.000 0.978 400 F CB 1.094 40.084 39.000 -0.016 0.000 1.378 400 F HN 0.654 nan 8.300 nan 0.000 0.495 401 N N 0.587 119.446 118.700 0.265 0.000 2.688 401 N HA -0.146 4.595 4.740 0.002 0.000 0.258 401 N C -0.641 174.952 175.510 0.138 0.000 1.016 401 N CA 0.635 53.777 53.050 0.153 0.000 0.747 401 N CB -0.798 37.764 38.487 0.125 0.000 0.895 401 N HN 0.995 nan 8.380 nan 0.000 0.543 402 G N 1.221 110.084 108.800 0.105 0.000 2.372 402 G HA2 0.379 4.340 3.960 0.002 0.000 0.283 402 G HA3 0.379 4.340 3.960 0.002 0.000 0.283 402 G C -0.425 174.515 174.900 0.067 0.000 1.177 402 G CA -0.552 44.602 45.100 0.089 0.000 0.842 402 G HN 0.503 nan 8.290 nan 0.000 0.503 403 N N 2.353 121.104 118.700 0.084 0.000 2.549 403 N HA 0.217 4.958 4.740 0.002 0.000 0.281 403 N C -1.125 174.443 175.510 0.097 0.000 1.084 403 N CA -0.438 52.657 53.050 0.074 0.000 0.862 403 N CB 1.536 40.057 38.487 0.058 0.000 1.333 403 N HN 0.428 nan 8.380 nan 0.000 0.523 404 M N 3.640 123.308 119.600 0.114 0.000 2.101 404 M HA 0.505 4.987 4.480 0.002 0.000 0.340 404 M C -0.971 175.456 176.300 0.213 0.000 1.057 404 M CA -0.484 54.919 55.300 0.171 0.000 0.984 404 M CB 1.054 33.739 32.600 0.142 0.000 1.560 404 M HN 0.565 nan 8.290 nan 0.000 0.435 405 A N 4.765 127.682 122.820 0.162 0.000 2.324 405 A HA 0.740 5.061 4.320 0.002 0.000 0.330 405 A C -1.102 176.548 177.584 0.110 0.000 1.165 405 A CA -0.616 51.479 52.037 0.098 0.000 0.813 405 A CB 1.319 20.344 19.000 0.041 0.000 1.197 405 A HN 0.629 nan 8.150 nan 0.000 0.484 406 V N 4.381 124.337 119.914 0.069 0.000 2.325 406 V HA 0.280 4.401 4.120 0.002 0.000 0.280 406 V C -0.509 175.571 176.094 -0.023 0.000 1.016 406 V CA -0.859 61.425 62.300 -0.026 0.000 0.818 406 V CB 1.088 32.937 31.823 0.043 0.000 1.019 406 V HN 0.836 nan 8.190 nan 0.000 0.434 407 K N 3.133 123.508 120.400 -0.042 0.000 2.143 407 K HA 0.747 5.069 4.320 0.002 0.000 0.272 407 K C 0.190 176.801 176.600 0.018 0.000 1.001 407 K CA -0.270 56.022 56.287 0.008 0.000 0.915 407 K CB 1.937 34.455 32.500 0.029 0.000 1.047 407 K HN 0.840 nan 8.250 nan 0.000 0.458 408 T N -2.526 112.064 114.554 0.061 0.000 2.894 408 T HA 0.381 4.732 4.350 0.002 0.000 0.309 408 T C -0.053 174.702 174.700 0.092 0.000 1.208 408 T CA -0.842 61.309 62.100 0.086 0.000 1.016 408 T CB 1.162 70.116 68.868 0.143 0.000 1.192 408 T HN 0.286 nan 8.240 nan 0.000 0.491 409 S N 0.989 116.756 115.700 0.113 0.000 2.580 409 S HA 0.162 4.634 4.470 0.002 0.000 0.261 409 S C 1.193 175.852 174.600 0.099 0.000 1.366 409 S CA -0.686 57.584 58.200 0.117 0.000 0.996 409 S CB 0.256 63.560 63.200 0.173 0.000 0.902 409 S HN 0.801 nan 8.310 nan 0.000 0.566 410 K N 1.092 121.544 120.400 0.087 0.000 2.280 410 K HA -0.085 4.237 4.320 0.002 0.000 0.202 410 K C 0.623 177.275 176.600 0.088 0.000 1.047 410 K CA 1.109 57.441 56.287 0.074 0.000 0.942 410 K CB -0.259 32.275 32.500 0.057 0.000 0.739 410 K HN 0.601 nan 8.250 nan 0.000 0.457 411 D N -0.411 120.055 120.400 0.110 0.000 2.460 411 D HA 0.108 4.749 4.640 0.002 0.000 0.229 411 D C -0.582 175.785 176.300 0.112 0.000 1.170 411 D CA -0.170 53.899 54.000 0.115 0.000 0.827 411 D CB -0.043 40.847 40.800 0.150 0.000 0.973 411 D HN -0.088 nan 8.370 nan 0.000 0.496 412 L N 0.121 121.414 121.223 0.117 0.000 2.505 412 L HA 0.383 4.724 4.340 0.002 0.000 0.266 412 L C -1.243 175.730 176.870 0.173 0.000 0.954 412 L CA -0.399 54.528 54.840 0.146 0.000 0.852 412 L CB 2.043 44.184 42.059 0.136 0.000 1.282 412 L HN -0.275 nan 8.230 nan 0.000 0.403 413 K N 2.553 123.071 120.400 0.195 0.000 2.295 413 K HA 0.746 5.067 4.320 0.002 0.000 0.239 413 K C -1.323 175.403 176.600 0.210 0.000 0.991 413 K CA -0.776 55.611 56.287 0.167 0.000 0.845 413 K CB 2.588 35.155 32.500 0.111 0.000 1.197 413 K HN 0.304 nan 8.250 nan 0.000 0.441 414 V N 2.565 122.552 119.914 0.121 0.000 2.398 414 V HA 0.198 4.320 4.120 0.002 0.000 0.286 414 V C 1.063 177.193 176.094 0.060 0.000 1.026 414 V CA -0.310 62.009 62.300 0.032 0.000 0.868 414 V CB 1.460 33.308 31.823 0.043 0.000 0.982 414 V HN 0.667 nan 8.190 nan 0.000 0.443 415 Q N 2.746 122.576 119.800 0.051 0.000 2.376 415 Q HA 0.387 4.728 4.340 0.002 0.000 0.206 415 Q C 0.882 176.958 176.000 0.127 0.000 0.921 415 Q CA 0.714 56.569 55.803 0.086 0.000 0.911 415 Q CB 1.101 29.891 28.738 0.086 0.000 1.032 415 Q HN 1.028 nan 8.270 nan 0.000 0.510 416 G N 0.442 109.358 108.800 0.193 0.000 2.359 416 G HA2 0.208 4.170 3.960 0.002 0.000 0.293 416 G HA3 0.208 4.170 3.960 0.002 0.000 0.293 416 G C -2.369 172.558 174.900 0.045 0.000 1.300 416 G CA -0.880 44.390 45.100 0.284 0.000 0.888 416 G HN 0.081 nan 8.290 nan 0.000 0.541 417 L N -0.570 120.528 121.223 -0.208 0.000 2.388 417 L HA 0.921 5.262 4.340 0.002 0.000 0.264 417 L C -1.068 175.634 176.870 -0.281 0.000 0.998 417 L CA -1.228 53.269 54.840 -0.573 0.000 0.817 417 L CB 1.903 42.935 42.059 -1.712 0.000 1.338 417 L HN 0.592 nan 8.230 nan 0.000 0.414 418 I N 4.080 124.556 120.570 -0.156 0.000 2.447 418 I HA 0.804 4.975 4.170 0.002 0.000 0.287 418 I C 0.118 176.198 176.117 -0.063 0.000 1.023 418 I CA -0.330 60.920 61.300 -0.083 0.000 1.083 418 I CB 1.618 39.631 38.000 0.022 0.000 1.245 418 I HN 0.861 nan 8.210 nan 0.000 0.434 419 G N 4.090 112.897 108.800 0.011 0.000 2.333 419 G HA2 0.131 4.093 3.960 0.002 0.000 0.288 419 G HA3 0.131 4.093 3.960 0.002 0.000 0.288 419 G C -1.173 173.901 174.900 0.290 0.000 1.286 419 G CA -0.862 44.277 45.100 0.066 0.000 0.865 419 G HN 0.631 nan 8.290 nan 0.000 0.506 420 H N 0.869 119.991 119.070 0.088 0.000 2.855 420 H HA 0.549 5.107 4.556 0.003 0.000 0.238 420 H C 0.568 176.054 175.328 0.264 0.000 1.847 420 H CA 0.344 56.492 56.048 0.168 0.000 1.368 420 H CB 0.158 30.017 29.762 0.161 0.000 1.758 420 H HN 0.733 nan 8.280 nan 0.000 0.546 421 A N 1.473 124.461 122.820 0.279 0.000 2.564 421 A HA 0.618 4.940 4.320 0.002 0.000 0.288 421 A C -0.812 176.881 177.584 0.182 0.000 1.164 421 A CA -0.775 51.380 52.037 0.197 0.000 0.712 421 A CB 2.183 21.244 19.000 0.102 0.000 1.303 421 A HN 0.374 nan 8.150 nan 0.000 0.418 422 S N -0.615 115.208 115.700 0.205 0.000 2.538 422 S HA 0.688 5.159 4.470 0.002 0.000 0.288 422 S C -0.062 174.692 174.600 0.257 0.000 1.108 422 S CA 0.130 58.444 58.200 0.190 0.000 0.971 422 S CB 1.279 64.548 63.200 0.116 0.000 1.041 422 S HN 2.057 nan 8.310 nan 0.000 0.483 423 A N 2.920 125.879 122.820 0.232 0.000 2.366 423 A HA 0.617 4.938 4.320 0.002 0.000 0.249 423 A C -0.452 177.113 177.584 -0.031 0.000 1.084 423 A CA -0.342 51.754 52.037 0.098 0.000 0.794 423 A CB 0.239 19.274 19.000 0.059 0.000 1.034 423 A HN 0.919 nan 8.150 nan 0.000 0.491 424 V N 2.755 122.569 119.914 -0.167 0.000 2.378 424 V HA 0.307 4.428 4.120 0.002 0.000 0.288 424 V C 0.129 176.129 176.094 -0.157 0.000 1.016 424 V CA -0.482 61.739 62.300 -0.132 0.000 0.840 424 V CB 1.060 32.798 31.823 -0.140 0.000 0.994 424 V HN 0.991 nan 8.190 nan 0.000 0.431 425 K N 2.302 122.643 120.400 -0.098 0.000 2.416 425 K HA 0.626 4.948 4.320 0.002 0.000 0.244 425 K C 0.169 176.726 176.600 -0.072 0.000 1.044 425 K CA -1.019 55.215 56.287 -0.087 0.000 0.972 425 K CB 0.622 33.088 32.500 -0.056 0.000 1.286 425 K HN 0.425 nan 8.250 nan 0.000 0.500 426 K N 0.144 120.510 120.400 -0.057 0.000 3.129 426 K HA -0.181 4.140 4.320 0.002 0.000 0.273 426 K C -0.342 176.228 176.600 -0.049 0.000 1.123 426 K CA 0.936 57.197 56.287 -0.043 0.000 0.800 426 K CB -1.928 30.551 32.500 -0.036 0.000 1.238 426 K HN 0.903 nan 8.250 nan 0.000 0.492 427 T N -1.427 113.088 114.554 -0.065 0.000 2.874 427 T HA 0.219 4.571 4.350 0.002 0.000 0.281 427 T C 0.784 175.466 174.700 -0.030 0.000 0.994 427 T CA -0.189 61.871 62.100 -0.065 0.000 1.015 427 T CB 1.300 70.106 68.868 -0.103 0.000 1.028 427 T HN 0.210 nan 8.240 nan 0.000 0.523 428 D N 0.120 120.511 120.400 -0.015 0.000 2.427 428 D HA 0.235 4.876 4.640 0.002 0.000 0.224 428 D C 0.724 177.091 176.300 0.112 0.000 1.157 428 D CA -0.526 53.514 54.000 0.068 0.000 0.828 428 D CB -0.534 40.267 40.800 0.002 0.000 0.974 428 D HN 0.750 nan 8.370 nan 0.000 0.498 429 A N 1.125 123.961 122.820 0.027 0.000 2.406 429 A HA 0.249 4.570 4.320 0.002 0.000 0.243 429 A C 0.979 178.578 177.584 0.025 0.000 1.082 429 A CA -0.190 51.859 52.037 0.020 0.000 0.786 429 A CB 0.003 18.981 19.000 -0.037 0.000 1.029 429 A HN 0.527 nan 8.150 nan 0.000 0.495 430 N N -0.657 118.057 118.700 0.023 0.000 2.159 430 N HA -0.014 4.727 4.740 0.002 0.000 0.217 430 N C 0.058 175.576 175.510 0.014 0.000 1.223 430 N CA 0.138 53.192 53.050 0.006 0.000 0.896 430 N CB 0.160 38.640 38.487 -0.012 0.000 1.064 430 N HN 0.585 nan 8.380 nan 0.000 0.518 431 N N 1.311 120.024 118.700 0.022 0.000 2.320 431 N HA 0.146 4.887 4.740 0.002 0.000 0.237 431 N C -0.586 174.948 175.510 0.040 0.000 1.129 431 N CA -0.376 52.700 53.050 0.044 0.000 0.854 431 N CB -0.063 38.464 38.487 0.066 0.000 1.083 431 N HN 0.311 nan 8.380 nan 0.000 0.504 432 I N 0.674 121.252 120.570 0.015 0.000 2.352 432 I HA 0.077 4.248 4.170 0.002 0.000 0.290 432 I C 0.699 176.832 176.117 0.025 0.000 1.036 432 I CA -0.597 60.707 61.300 0.007 0.000 1.336 432 I CB 1.009 38.994 38.000 -0.025 0.000 1.407 432 I HN 0.083 nan 8.210 nan 0.000 0.497 433 S N 4.477 120.202 115.700 0.042 0.000 2.585 433 S HA 0.076 4.548 4.470 0.002 0.000 0.273 433 S C 1.097 175.719 174.600 0.036 0.000 1.339 433 S CA -0.177 58.052 58.200 0.048 0.000 1.028 433 S CB 0.845 64.084 63.200 0.065 0.000 0.906 433 S HN 0.670 nan 8.310 nan 0.000 0.528 434 E N 1.491 121.711 120.200 0.034 0.000 2.216 434 E HA 0.024 4.376 4.350 0.002 0.000 0.192 434 E C 0.193 176.811 176.600 0.029 0.000 0.988 434 E CA 0.355 56.771 56.400 0.027 0.000 0.834 434 E CB 0.177 29.892 29.700 0.024 0.000 0.772 434 E HN 0.468 nan 8.360 nan 0.000 0.479 435 S N 0.792 116.513 115.700 0.035 0.000 2.586 435 S HA 0.219 4.690 4.470 0.002 0.000 0.274 435 S C -0.251 174.368 174.600 0.032 0.000 1.281 435 S CA -0.343 57.876 58.200 0.032 0.000 1.035 435 S CB 1.140 64.363 63.200 0.038 0.000 0.962 435 S HN 0.078 nan 8.310 nan 0.000 0.512 436 E N 1.274 121.485 120.200 0.020 0.000 2.238 436 E HA 0.571 4.923 4.350 0.002 0.000 0.267 436 E C -1.106 175.477 176.600 -0.029 0.000 0.887 436 E CA -0.465 55.945 56.400 0.017 0.000 0.769 436 E CB 1.907 31.626 29.700 0.032 0.000 1.187 436 E HN 0.422 nan 8.360 nan 0.000 0.416 437 I N 2.534 123.064 120.570 -0.067 0.000 2.497 437 I HA 0.400 4.571 4.170 0.002 0.000 0.284 437 I C 0.590 176.567 176.117 -0.233 0.000 1.060 437 I CA -0.346 60.824 61.300 -0.216 0.000 1.071 437 I CB 1.444 39.154 38.000 -0.484 0.000 1.216 437 I HN 0.846 nan 8.210 nan 0.000 0.442 438 G N 6.824 115.399 108.800 -0.375 0.000 2.523 438 G HA2 -0.258 3.703 3.960 0.002 0.000 0.271 438 G HA3 -0.258 3.703 3.960 0.002 0.000 0.271 438 G C -0.051 174.696 174.900 -0.256 0.000 1.146 438 G CA -0.408 44.268 45.100 -0.707 0.000 0.961 438 G HN 0.549 nan 8.290 nan 0.000 0.549 439 I N 3.241 123.755 120.570 -0.094 0.000 2.269 439 I HA 0.526 4.697 4.170 0.002 0.000 0.293 439 I C 1.292 177.588 176.117 0.297 0.000 1.106 439 I CA 0.405 61.783 61.300 0.129 0.000 1.248 439 I CB 0.273 38.402 38.000 0.216 0.000 1.444 439 I HN 0.766 nan 8.210 nan 0.000 0.497 440 G N 3.823 112.740 108.800 0.195 0.000 3.008 440 G HA2 0.582 4.544 3.960 0.002 0.000 0.181 440 G HA3 0.582 4.544 3.960 0.002 0.000 0.181 440 G C 0.488 175.452 174.900 0.106 0.000 1.309 440 G CA -0.161 45.055 45.100 0.194 0.000 1.009 440 G HN 0.752 nan 8.290 nan 0.000 0.584 441 A N -2.094 120.758 122.820 0.053 0.000 2.860 441 A HA 0.078 4.400 4.320 0.002 0.000 0.267 441 A C 0.637 178.181 177.584 -0.066 0.000 1.421 441 A CA 2.301 54.339 52.037 0.001 0.000 0.831 441 A CB -1.997 17.006 19.000 0.006 0.000 1.041 441 A HN 2.121 nan 8.150 nan 0.000 0.623 442 T N -2.318 112.164 114.554 -0.121 0.000 2.722 442 T HA 0.580 4.931 4.350 0.002 0.000 0.314 442 T C 0.393 174.790 174.700 -0.505 0.000 1.675 442 T CA 0.878 62.791 62.100 -0.311 0.000 1.003 442 T CB 0.943 69.546 68.868 -0.442 0.000 1.602 442 T HN 1.620 nan 8.240 nan 0.000 0.496 443 S N 0.329 115.664 115.700 -0.607 0.000 2.819 443 S HA 0.400 4.871 4.470 0.002 0.000 0.249 443 S C -0.025 174.121 174.600 -0.756 0.000 1.030 443 S CA -0.242 57.598 58.200 -0.600 0.000 1.052 443 S CB 0.371 63.456 63.200 -0.192 0.000 1.017 443 S HN 0.689 nan 8.310 nan 0.000 0.576 444 T N 2.321 116.273 114.554 -1.005 0.000 2.876 444 T HA 0.596 4.947 4.350 0.002 0.000 0.289 444 T C -1.566 172.656 174.700 -0.797 0.000 1.014 444 T CA -0.487 61.258 62.100 -0.593 0.000 0.986 444 T CB 1.095 69.780 68.868 -0.305 0.000 1.021 444 T HN 0.393 nan 8.240 nan 0.000 0.458 445 W N 2.291 123.574 121.300 -0.028 0.000 3.107 445 W HA 0.494 5.155 4.660 0.002 0.000 0.331 445 W C -0.574 175.917 176.519 -0.048 0.000 1.204 445 W CA -0.980 56.341 57.345 -0.039 0.000 1.184 445 W CB 2.110 31.535 29.460 -0.060 0.000 1.421 445 W HN 0.612 nan 8.180 nan 0.000 0.544 446 K N 0.885 121.393 120.400 0.181 0.000 2.318 446 K HA 0.895 5.216 4.320 0.002 0.000 0.249 446 K C -1.089 175.561 176.600 0.084 0.000 0.942 446 K CA -1.020 55.323 56.287 0.093 0.000 0.808 446 K CB 2.267 34.801 32.500 0.056 0.000 1.189 446 K HN 0.277 nan 8.250 nan 0.000 0.428 447 M N 2.342 121.972 119.600 0.050 0.000 2.067 447 M HA 0.296 4.777 4.480 0.002 0.000 0.286 447 M C 0.422 176.758 176.300 0.060 0.000 0.922 447 M CA -0.314 55.015 55.300 0.048 0.000 0.937 447 M CB 1.883 34.474 32.600 -0.015 0.000 1.550 447 M HN 0.946 nan 8.290 nan 0.000 0.433 448 A N 1.334 124.206 122.820 0.087 0.000 1.892 448 A HA 0.002 4.323 4.320 0.002 0.000 0.218 448 A C 0.889 178.573 177.584 0.167 0.000 1.188 448 A CA 1.523 53.635 52.037 0.126 0.000 0.631 448 A CB -0.056 19.022 19.000 0.131 0.000 0.822 448 A HN 0.647 nan 8.150 nan 0.000 0.447 449 S N -1.209 114.533 115.700 0.070 0.000 2.548 449 S HA 0.655 5.126 4.470 0.002 0.000 0.286 449 S C -1.314 173.114 174.600 -0.286 0.000 1.098 449 S CA -0.595 57.545 58.200 -0.099 0.000 0.930 449 S CB 1.786 64.955 63.200 -0.053 0.000 1.070 449 S HN 0.680 nan 8.310 nan 0.000 0.480 450 L N 0.220 121.159 121.223 -0.474 0.000 2.622 450 L HA 0.944 5.286 4.340 0.002 0.000 0.258 450 L C -0.291 176.237 176.870 -0.570 0.000 0.996 450 L CA -1.015 53.383 54.840 -0.736 0.000 0.858 450 L CB 0.657 42.470 42.059 -0.410 0.000 1.449 450 L HN 0.699 nan 8.230 nan 0.000 0.411 451 S N -1.222 114.218 115.700 -0.435 0.000 2.720 451 S HA 0.857 5.328 4.470 0.002 0.000 0.287 451 S C -2.624 171.791 174.600 -0.307 0.000 1.168 451 S CA -1.324 56.728 58.200 -0.246 0.000 0.832 451 S CB 1.890 65.078 63.200 -0.020 0.000 1.166 451 S HN 0.510 nan 8.310 nan 0.000 0.493 452 P HA 0.192 nan 4.420 nan 0.000 0.242 452 P C -0.382 176.412 177.300 -0.843 0.000 1.197 452 P CA 0.750 63.421 63.100 -0.715 0.000 0.765 452 P CB -0.423 30.770 31.700 -0.846 0.000 0.936 453 Y N -2.956 117.274 120.300 -0.117 0.000 2.636 453 Y HA 0.218 4.770 4.550 0.002 0.000 0.260 453 Y C 0.476 176.198 175.900 -0.296 0.000 1.177 453 Y CA -0.667 57.327 58.100 -0.176 0.000 1.209 453 Y CB -0.067 38.307 38.460 -0.143 0.000 1.166 453 Y HN -0.015 nan 8.280 nan 0.000 0.531 454 H N -0.349 118.534 119.070 -0.311 0.000 2.459 454 H HA 0.507 5.065 4.556 0.002 0.000 0.332 454 H C -0.466 174.457 175.328 -0.676 0.000 1.094 454 H CA -0.631 55.106 56.048 -0.519 0.000 1.224 454 H CB 1.491 30.995 29.762 -0.431 0.000 1.449 454 H HN -0.091 nan 8.280 nan 0.000 0.484 455 S N 2.561 117.784 115.700 -0.794 0.000 2.513 455 S HA 0.486 4.957 4.470 0.002 0.000 0.299 455 S C -1.323 172.747 174.600 -0.882 0.000 1.087 455 S CA -0.735 57.059 58.200 -0.675 0.000 1.012 455 S CB 0.683 63.572 63.200 -0.518 0.000 1.044 455 S HN 0.424 nan 8.310 nan 0.000 0.485 456 Y N 0.691 120.825 120.300 -0.276 0.000 2.409 456 Y HA 0.644 5.195 4.550 0.002 0.000 0.343 456 Y C 0.204 175.937 175.900 -0.278 0.000 0.973 456 Y CA -1.066 56.881 58.100 -0.256 0.000 1.064 456 Y CB 1.335 39.671 38.460 -0.208 0.000 1.207 456 Y HN 0.725 nan 8.280 nan 0.000 0.452 457 A N 4.448 127.153 122.820 -0.191 0.000 2.320 457 A HA 0.747 5.069 4.320 0.002 0.000 0.287 457 A C -0.662 176.672 177.584 -0.416 0.000 1.181 457 A CA -0.408 51.423 52.037 -0.344 0.000 0.831 457 A CB -0.133 18.703 19.000 -0.273 0.000 1.102 457 A HN 0.755 nan 8.150 nan 0.000 0.513 458 I N 2.616 122.863 120.570 -0.539 0.000 2.439 458 I HA 0.350 4.521 4.170 0.002 0.000 0.285 458 I C -1.207 174.473 176.117 -0.728 0.000 1.021 458 I CA -0.183 60.814 61.300 -0.504 0.000 1.091 458 I CB 1.478 39.343 38.000 -0.224 0.000 1.242 458 I HN 0.540 nan 8.210 nan 0.000 0.439 459 F N 5.487 125.191 119.950 -0.410 0.000 2.422 459 F HA 0.595 5.123 4.527 0.003 0.000 0.333 459 F C -0.179 175.318 175.800 -0.505 0.000 1.095 459 F CA -0.417 57.410 58.000 -0.289 0.000 1.038 459 F CB 1.134 40.077 39.000 -0.095 0.000 1.156 459 F HN 0.155 nan 8.300 nan 0.000 0.483 460 F N 0.361 120.438 119.950 0.212 0.000 2.579 460 F HA 0.496 5.024 4.527 0.003 0.000 0.324 460 F C -0.337 175.512 175.800 0.081 0.000 1.058 460 F CA -1.082 56.985 58.000 0.113 0.000 0.944 460 F CB 1.858 40.873 39.000 0.025 0.000 1.245 460 F HN 0.378 nan 8.300 nan 0.000 0.477 461 E N 1.965 122.314 120.200 0.250 0.000 2.246 461 E HA 0.375 4.727 4.350 0.002 0.000 0.266 461 E C -1.358 175.312 176.600 0.117 0.000 0.880 461 E CA -0.726 55.761 56.400 0.146 0.000 0.762 461 E CB 1.273 31.043 29.700 0.117 0.000 1.180 461 E HN 0.436 nan 8.360 nan 0.000 0.416 462 I N 4.177 124.788 120.570 0.069 0.000 2.587 462 I HA -0.009 4.163 4.170 0.002 0.000 0.284 462 I C 1.370 177.531 176.117 0.073 0.000 1.134 462 I CA 0.487 61.824 61.300 0.061 0.000 1.410 462 I CB 0.483 38.508 38.000 0.041 0.000 1.392 462 I HN 0.806 nan 8.210 nan 0.000 0.545 463 A N 6.545 129.414 122.820 0.082 0.000 1.969 463 A HA -0.126 4.195 4.320 0.002 0.000 0.218 463 A C 1.228 178.850 177.584 0.064 0.000 1.169 463 A CA 0.608 52.690 52.037 0.074 0.000 0.635 463 A CB -0.365 18.681 19.000 0.078 0.000 0.810 463 A HN 0.837 nan 8.150 nan 0.000 0.445 464 N N -0.232 118.510 118.700 0.071 0.000 2.530 464 N HA 0.194 4.935 4.740 0.002 0.000 0.273 464 N C -0.496 175.045 175.510 0.052 0.000 1.173 464 N CA 0.141 53.229 53.050 0.063 0.000 0.967 464 N CB 0.531 39.065 38.487 0.079 0.000 1.109 464 N HN 0.235 nan 8.380 nan 0.000 0.453 484 L N 0.934 122.075 121.223 -0.137 0.000 2.334 484 L HA 0.796 5.137 4.340 0.002 0.000 0.276 484 L C 0.344 176.992 176.870 -0.370 0.000 1.014 484 L CA -1.049 53.556 54.840 -0.391 0.000 0.815 484 L CB 1.815 43.548 42.059 -0.544 0.000 1.268 484 L HN 0.800 nan 8.230 nan 0.000 0.428 485 A N 2.214 124.733 122.820 -0.501 0.000 2.276 485 A HA 0.696 5.017 4.320 0.002 0.000 0.316 485 A C -1.387 175.935 177.584 -0.437 0.000 1.229 485 A CA -0.271 51.605 52.037 -0.268 0.000 0.851 485 A CB 0.281 19.195 19.000 -0.144 0.000 1.165 485 A HN 0.531 nan 8.150 nan 0.000 0.513 486 Y N 0.784 120.991 120.300 -0.156 0.000 2.387 486 Y HA 0.594 5.145 4.550 0.002 0.000 0.336 486 Y C 0.605 176.431 175.900 -0.122 0.000 1.067 486 Y CA -0.151 57.838 58.100 -0.184 0.000 1.114 486 Y CB 2.392 40.762 38.460 -0.149 0.000 1.208 486 Y HN 0.581 nan 8.280 nan 0.000 0.458 487 T N 3.387 117.940 114.554 -0.002 0.000 2.928 487 T HA 0.334 4.686 4.350 0.002 0.000 0.296 487 T C -1.263 173.411 174.700 -0.044 0.000 1.000 487 T CA -0.952 61.108 62.100 -0.066 0.000 0.989 487 T CB 1.435 70.226 68.868 -0.129 0.000 1.005 487 T HN 0.558 nan 8.240 nan 0.000 0.442 488 Q N 2.621 122.347 119.800 -0.125 0.000 2.321 488 Q HA 0.571 4.912 4.340 0.002 0.000 0.270 488 Q C -1.668 174.235 176.000 -0.161 0.000 1.032 488 Q CA -0.782 55.016 55.803 -0.008 0.000 0.784 488 Q CB 0.989 29.783 28.738 0.093 0.000 1.264 488 Q HN 0.557 nan 8.270 nan 0.000 0.448 489 F N 4.696 124.663 119.950 0.027 0.000 2.385 489 F HA 0.456 4.984 4.527 0.002 0.000 0.360 489 F C -0.069 175.789 175.800 0.097 0.000 1.122 489 F CA -0.588 57.409 58.000 -0.005 0.000 1.090 489 F CB 0.854 39.659 39.000 -0.326 0.000 1.150 489 F HN 0.379 nan 8.300 nan 0.000 0.472 490 I N 3.518 124.237 120.570 0.248 0.000 2.371 490 I HA 0.256 4.428 4.170 0.002 0.000 0.282 490 I C -0.411 175.838 176.117 0.220 0.000 1.031 490 I CA -0.225 61.203 61.300 0.214 0.000 1.180 490 I CB 1.118 39.197 38.000 0.132 0.000 1.336 490 I HN 0.486 nan 8.210 nan 0.000 0.467 491 T N 3.743 118.453 114.554 0.261 0.000 2.756 491 T HA 0.333 4.685 4.350 0.002 0.000 0.290 491 T C 0.284 175.145 174.700 0.268 0.000 0.985 491 T CA -0.511 61.733 62.100 0.241 0.000 0.955 491 T CB 1.070 70.077 68.868 0.231 0.000 0.930 491 T HN 0.654 nan 8.240 nan 0.000 0.451 492 T N 2.064 116.742 114.554 0.207 0.000 2.829 492 T HA 0.759 5.110 4.350 0.002 0.000 0.282 492 T C -0.740 174.107 174.700 0.245 0.000 0.990 492 T CA -0.715 61.484 62.100 0.166 0.000 1.028 492 T CB 0.633 69.547 68.868 0.076 0.000 0.951 492 T HN 0.686 nan 8.240 nan 0.000 0.460 493 Y N -0.136 120.192 120.300 0.047 0.000 2.713 493 Y HA 0.552 5.103 4.550 0.002 0.000 0.335 493 Y C -1.053 174.884 175.900 0.062 0.000 1.222 493 Y CA -1.441 56.684 58.100 0.042 0.000 1.061 493 Y CB 1.458 39.929 38.460 0.018 0.000 1.314 493 Y HN 0.748 nan 8.280 nan 0.000 0.453 494 Q N 2.818 122.701 119.800 0.137 0.000 2.331 494 Q HA 0.200 4.541 4.340 0.002 0.000 0.257 494 Q C -1.155 174.947 176.000 0.171 0.000 0.957 494 Q CA -0.660 55.184 55.803 0.069 0.000 0.923 494 Q CB 0.558 29.381 28.738 0.142 0.000 1.212 494 Q HN 0.824 nan 8.270 nan 0.000 0.443 495 H N 2.850 121.878 119.070 -0.071 0.000 2.610 495 H HA 0.105 4.662 4.556 0.002 0.000 0.336 495 H C 0.253 175.610 175.328 0.048 0.000 1.087 495 H CA 0.238 56.312 56.048 0.043 0.000 1.405 495 H CB 1.490 31.191 29.762 -0.102 0.000 1.460 495 H HN 0.773 nan 8.280 nan 0.000 0.538 496 S N 2.562 118.133 115.700 -0.216 0.000 2.488 496 S HA -0.184 4.287 4.470 0.002 0.000 0.246 496 S C 2.061 176.734 174.600 0.123 0.000 0.992 496 S CA 1.251 59.471 58.200 0.033 0.000 0.963 496 S CB -0.099 63.127 63.200 0.044 0.000 0.754 496 S HN 0.756 nan 8.310 nan 0.000 0.519 497 S N 0.478 116.230 115.700 0.085 0.000 2.481 497 S HA 0.243 4.715 4.470 0.002 0.000 0.231 497 S C 1.473 176.064 174.600 -0.015 0.000 0.996 497 S CA 0.685 58.701 58.200 -0.306 0.000 0.942 497 S CB -0.241 62.574 63.200 -0.642 0.000 0.768 497 S HN 0.784 nan 8.310 nan 0.000 0.520 498 G N 0.890 109.724 108.800 0.057 0.000 2.145 498 G HA2 -0.111 3.851 3.960 0.002 0.000 0.176 498 G HA3 -0.111 3.851 3.960 0.002 0.000 0.176 498 G C 0.004 174.910 174.900 0.011 0.000 1.013 498 G CA -0.065 45.066 45.100 0.052 0.000 0.689 498 G HN 1.209 nan 8.290 nan 0.000 0.506 499 T N -1.944 112.604 114.554 -0.009 0.000 2.907 499 T HA 0.676 5.027 4.350 0.002 0.000 0.292 499 T C -0.523 174.129 174.700 -0.081 0.000 1.043 499 T CA -0.981 61.085 62.100 -0.057 0.000 1.003 499 T CB 2.194 70.990 68.868 -0.120 0.000 1.084 499 T HN 0.047 nan 8.240 nan 0.000 0.483 500 N N 2.110 120.753 118.700 -0.095 0.000 2.414 500 N HA 0.372 5.113 4.740 0.002 0.000 0.256 500 N C -0.277 175.118 175.510 -0.192 0.000 1.029 500 N CA -0.398 52.573 53.050 -0.131 0.000 0.948 500 N CB 1.260 39.703 38.487 -0.073 0.000 1.102 500 N HN 0.525 nan 8.380 nan 0.000 0.496 501 R N 1.732 122.012 120.500 -0.366 0.000 2.919 501 R HA 0.686 5.028 4.340 0.002 0.000 0.260 501 R C -0.343 175.818 176.300 -0.231 0.000 1.067 501 R CA -0.841 55.053 56.100 -0.343 0.000 1.003 501 R CB 1.800 31.818 30.300 -0.470 0.000 1.192 501 R HN 0.387 nan 8.270 nan 0.000 0.488 502 I N 1.220 121.794 120.570 0.006 0.000 2.534 502 I HA 0.373 4.544 4.170 0.002 0.000 0.288 502 I C -0.430 175.868 176.117 0.302 0.000 1.077 502 I CA -0.973 60.424 61.300 0.163 0.000 1.051 502 I CB 1.946 40.010 38.000 0.107 0.000 1.234 502 I HN 0.204 nan 8.210 nan 0.000 0.425 503 R N 4.665 125.371 120.500 0.343 0.000 2.312 503 R HA 0.672 5.013 4.340 0.002 0.000 0.311 503 R C -1.156 175.335 176.300 0.318 0.000 1.004 503 R CA -0.717 55.576 56.100 0.322 0.000 0.902 503 R CB 1.990 32.475 30.300 0.307 0.000 1.073 503 R HN 0.358 nan 8.270 nan 0.000 0.457 504 V N 2.972 123.068 119.914 0.304 0.000 2.482 504 V HA 0.367 4.488 4.120 0.002 0.000 0.295 504 V C -0.307 175.948 176.094 0.269 0.000 1.026 504 V CA -0.648 61.833 62.300 0.302 0.000 0.856 504 V CB 2.158 34.191 31.823 0.351 0.000 1.001 504 V HN 0.700 nan 8.190 nan 0.000 0.424 505 T N 3.196 117.935 114.554 0.308 0.000 2.809 505 T HA 0.551 4.902 4.350 0.002 0.000 0.284 505 T C -0.192 174.722 174.700 0.356 0.000 0.992 505 T CA -0.420 61.853 62.100 0.290 0.000 0.957 505 T CB 1.519 70.528 68.868 0.235 0.000 0.942 505 T HN 0.643 nan 8.240 nan 0.000 0.439 506 T N 2.896 117.638 114.554 0.314 0.000 2.824 506 T HA 0.726 5.078 4.350 0.002 0.000 0.282 506 T C -0.025 174.903 174.700 0.380 0.000 0.993 506 T CA -0.748 61.561 62.100 0.348 0.000 0.967 506 T CB 1.351 70.448 68.868 0.382 0.000 0.960 506 T HN 0.615 nan 8.240 nan 0.000 0.441 507 V N -0.618 119.449 119.914 0.255 0.000 3.102 507 V HA 1.067 5.188 4.120 0.002 0.000 0.312 507 V C -0.969 174.944 176.094 -0.301 0.000 1.135 507 V CA -1.500 60.866 62.300 0.110 0.000 1.022 507 V CB 1.668 33.601 31.823 0.184 0.000 1.056 507 V HN 1.141 nan 8.190 nan 0.000 0.436 508 A N 1.939 124.445 122.820 -0.524 0.000 2.398 508 A HA 0.827 5.148 4.320 0.002 0.000 0.301 508 A C -0.895 176.261 177.584 -0.714 0.000 1.041 508 A CA -0.703 50.797 52.037 -0.895 0.000 0.711 508 A CB 1.273 19.430 19.000 -1.406 0.000 1.240 508 A HN 0.861 nan 8.150 nan 0.000 0.420 509 N N 1.586 119.782 118.700 -0.840 0.000 2.284 509 N HA 0.258 5.000 4.740 0.002 0.000 0.300 509 N C -0.849 174.164 175.510 -0.829 0.000 1.047 509 N CA -0.362 52.102 53.050 -0.976 0.000 0.821 509 N CB 2.235 39.642 38.487 -1.800 0.000 1.337 509 N HN 0.868 nan 8.380 nan 0.000 0.482 510 Q N 2.036 121.464 119.800 -0.619 0.000 2.340 510 Q HA 0.319 4.660 4.340 0.002 0.000 0.249 510 Q C -1.093 174.665 176.000 -0.404 0.000 0.957 510 Q CA -0.083 55.464 55.803 -0.427 0.000 0.882 510 Q CB 0.735 29.314 28.738 -0.265 0.000 1.235 510 Q HN 0.482 nan 8.270 nan 0.000 0.439 511 L N 5.058 126.087 121.223 -0.324 0.000 2.313 511 L HA 0.517 4.858 4.340 0.002 0.000 0.283 511 L C -0.828 175.993 176.870 -0.081 0.000 1.013 511 L CA -0.429 54.293 54.840 -0.196 0.000 0.816 511 L CB 1.261 43.156 42.059 -0.275 0.000 1.236 511 L HN 0.590 nan 8.230 nan 0.000 0.419 512 L N 3.963 125.174 121.223 -0.020 0.000 2.371 512 L HA 0.644 4.985 4.340 0.002 0.000 0.262 512 L C -2.467 174.427 176.870 0.040 0.000 1.006 512 L CA -2.092 52.757 54.840 0.014 0.000 0.818 512 L CB 2.507 44.568 42.059 0.003 0.000 1.354 512 L HN 0.296 nan 8.230 nan 0.000 0.415 513 P HA 0.067 nan 4.420 nan 0.000 0.274 513 P C -0.557 176.804 177.300 0.101 0.000 1.237 513 P CA -0.377 62.778 63.100 0.092 0.000 0.793 513 P CB 0.396 32.151 31.700 0.091 0.000 0.977 514 F N 1.614 121.567 119.950 0.006 0.000 2.637 514 F HA 0.139 4.668 4.527 0.002 0.000 0.372 514 F C 1.671 177.473 175.800 0.004 0.000 1.107 514 F CA 2.361 60.359 58.000 -0.002 0.000 1.325 514 F CB -0.311 38.681 39.000 -0.012 0.000 1.016 514 F HN 0.682 nan 8.300 nan 0.000 0.593 515 G N 2.578 110.920 108.800 -0.762 0.000 2.304 515 G HA2 -0.312 3.649 3.960 0.002 0.000 0.252 515 G HA3 -0.312 3.649 3.960 0.002 0.000 0.252 515 G C 0.463 175.261 174.900 -0.170 0.000 1.014 515 G CA 0.230 45.067 45.100 -0.439 0.000 0.619 515 G HN 0.911 nan 8.290 nan 0.000 0.525 516 T N 3.337 117.837 114.554 -0.091 0.000 2.778 516 T HA 0.323 4.674 4.350 0.002 0.000 0.282 516 T C -0.517 174.181 174.700 -0.003 0.000 0.983 516 T CA 0.353 62.439 62.100 -0.024 0.000 1.193 516 T CB 1.192 70.060 68.868 -0.001 0.000 0.938 516 T HN 0.203 nan 8.240 nan 0.000 0.523 517 P HA -0.200 nan 4.420 nan 0.000 0.217 517 P C 1.536 178.886 177.300 0.083 0.000 1.148 517 P CA 1.152 64.280 63.100 0.045 0.000 0.834 517 P CB 0.052 31.771 31.700 0.030 0.000 0.783 518 A N -0.510 122.350 122.820 0.067 0.000 1.883 518 A HA -0.234 4.087 4.320 0.002 0.000 0.217 518 A C 2.177 179.849 177.584 0.146 0.000 1.186 518 A CA 1.774 53.861 52.037 0.083 0.000 0.624 518 A CB -1.630 17.398 19.000 0.046 0.000 0.822 518 A HN 0.123 nan 8.150 nan 0.000 0.444 519 I N -0.181 120.479 120.570 0.150 0.000 2.113 519 I HA -0.387 3.784 4.170 0.002 0.000 0.242 519 I C 3.010 179.386 176.117 0.432 0.000 1.064 519 I CA 1.482 62.932 61.300 0.249 0.000 1.320 519 I CB -0.584 37.490 38.000 0.123 0.000 1.028 519 I HN 0.390 nan 8.210 nan 0.000 0.406 520 A N 0.721 123.763 122.820 0.370 0.000 1.883 520 A HA -0.214 4.107 4.320 0.002 0.000 0.217 520 A C 2.526 180.346 177.584 0.393 0.000 1.186 520 A CA 2.161 54.453 52.037 0.424 0.000 0.624 520 A CB -0.965 18.251 19.000 0.359 0.000 0.822 520 A HN 0.490 nan 8.150 nan 0.000 0.444 521 A N 0.089 123.080 122.820 0.285 0.000 2.019 521 A HA -0.031 4.290 4.320 0.002 0.000 0.219 521 A C 2.250 179.983 177.584 0.248 0.000 1.164 521 A CA 1.981 54.152 52.037 0.222 0.000 0.644 521 A CB -0.794 18.290 19.000 0.139 0.000 0.805 521 A HN 1.091 nan 8.150 nan 0.000 0.449 522 S N -1.567 114.310 115.700 0.294 0.000 2.650 522 S HA 0.192 4.663 4.470 0.002 0.000 0.219 522 S C 0.170 174.929 174.600 0.265 0.000 0.960 522 S CA -0.494 57.904 58.200 0.331 0.000 0.925 522 S CB -0.666 62.700 63.200 0.276 0.000 0.775 522 S HN 0.323 nan 8.310 nan 0.000 0.525 523 F N 3.348 123.248 119.950 -0.083 0.000 2.445 523 F HA 0.400 4.928 4.527 0.002 0.000 0.359 523 F C 0.053 175.490 175.800 -0.606 0.000 1.101 523 F CA -1.055 56.548 58.000 -0.663 0.000 1.177 523 F CB 0.704 38.986 39.000 -1.197 0.000 1.110 523 F HN 0.039 nan 8.300 nan 0.000 0.522 524 D N 6.212 125.719 120.400 -1.488 0.000 2.499 524 D HA 0.052 4.693 4.640 0.002 0.000 0.225 524 D C 1.046 176.581 176.300 -1.275 0.000 1.124 524 D CA -0.205 52.923 54.000 -1.453 0.000 0.938 524 D CB 0.784 40.663 40.800 -1.534 0.000 1.014 524 D HN 0.800 nan 8.370 nan 0.000 0.517 525 Q N 1.733 120.972 119.800 -0.936 0.000 2.234 525 Q HA -0.202 4.140 4.340 0.002 0.000 0.206 525 Q C 0.840 176.717 176.000 -0.206 0.000 0.980 525 Q CA 1.271 56.800 55.803 -0.457 0.000 0.869 525 Q CB 0.054 28.877 28.738 0.142 0.000 0.912 525 Q HN 0.486 nan 8.270 nan 0.000 0.436 526 E N 0.810 120.846 120.200 -0.273 0.000 2.072 526 E HA -0.063 4.288 4.350 0.002 0.000 0.190 526 E C 2.004 178.377 176.600 -0.378 0.000 0.982 526 E CA 0.887 57.089 56.400 -0.331 0.000 0.803 526 E CB -0.034 29.538 29.700 -0.214 0.000 0.755 526 E HN 0.538 nan 8.360 nan 0.000 0.453 527 A N 0.952 123.518 122.820 -0.424 0.000 2.014 527 A HA 0.052 4.373 4.320 0.002 0.000 0.218 527 A C 2.237 179.630 177.584 -0.319 0.000 1.163 527 A CA 1.246 53.056 52.037 -0.377 0.000 0.652 527 A CB -0.259 18.490 19.000 -0.419 0.000 0.808 527 A HN 0.274 nan 8.150 nan 0.000 0.449 528 A N -0.098 122.482 122.820 -0.400 0.000 1.929 528 A HA 0.282 4.603 4.320 0.002 0.000 0.216 528 A C 2.432 180.080 177.584 0.107 0.000 1.176 528 A CA 1.639 53.550 52.037 -0.209 0.000 0.628 528 A CB -0.803 17.921 19.000 -0.461 0.000 0.816 528 A HN 0.887 nan 8.150 nan 0.000 0.444 529 A N -0.548 122.304 122.820 0.054 0.000 1.898 529 A HA 0.038 4.360 4.320 0.002 0.000 0.216 529 A C 2.214 179.783 177.584 -0.026 0.000 1.181 529 A CA 1.721 53.769 52.037 0.018 0.000 0.620 529 A CB -0.827 17.948 19.000 -0.374 0.000 0.819 529 A HN 0.333 nan 8.150 nan 0.000 0.442 530 V N 0.194 120.038 119.914 -0.117 0.000 2.307 530 V HA -0.204 3.918 4.120 0.002 0.000 0.245 530 V C 2.541 178.659 176.094 0.039 0.000 1.045 530 V CA 1.760 64.028 62.300 -0.055 0.000 1.024 530 V CB -0.644 31.054 31.823 -0.208 0.000 0.651 530 V HN 0.550 nan 8.190 nan 0.000 0.449 531 L N -1.130 120.106 121.223 0.020 0.000 2.093 531 L HA -0.159 4.182 4.340 0.002 0.000 0.208 531 L C 2.591 179.656 176.870 0.324 0.000 1.085 531 L CA 1.178 56.102 54.840 0.140 0.000 0.755 531 L CB -0.498 41.611 42.059 0.084 0.000 0.904 531 L HN 0.318 nan 8.230 nan 0.000 0.435 532 M N -0.460 119.327 119.600 0.312 0.000 2.175 532 M HA -0.118 4.363 4.480 0.002 0.000 0.264 532 M C 2.550 179.084 176.300 0.389 0.000 1.063 532 M CA 1.705 57.249 55.300 0.407 0.000 1.119 532 M CB -1.114 31.705 32.600 0.366 0.000 1.377 532 M HN 0.258 nan 8.290 nan 0.000 0.415 533 A N -0.104 122.881 122.820 0.274 0.000 1.873 533 A HA -0.184 4.137 4.320 0.002 0.000 0.215 533 A C 2.310 180.068 177.584 0.290 0.000 1.186 533 A CA 1.796 53.957 52.037 0.207 0.000 0.616 533 A CB -0.633 18.436 19.000 0.115 0.000 0.823 533 A HN 0.369 nan 8.150 nan 0.000 0.442 534 R N -0.138 120.585 120.500 0.373 0.000 2.103 534 R HA -0.100 4.241 4.340 0.002 0.000 0.242 534 R C 1.845 178.300 176.300 0.258 0.000 1.142 534 R CA 1.891 58.181 56.100 0.317 0.000 0.960 534 R CB -0.530 29.872 30.300 0.171 0.000 0.858 534 R HN 0.623 nan 8.270 nan 0.000 0.439 535 I N -0.351 120.378 120.570 0.265 0.000 2.315 535 I HA -0.206 3.966 4.170 0.002 0.000 0.248 535 I C 2.293 178.466 176.117 0.094 0.000 1.117 535 I CA 1.136 62.522 61.300 0.144 0.000 1.404 535 I CB -0.368 37.702 38.000 0.117 0.000 1.071 535 I HN 0.266 nan 8.210 nan 0.000 0.419 536 A N 0.383 123.331 122.820 0.213 0.000 1.972 536 A HA -0.122 4.199 4.320 0.002 0.000 0.219 536 A C 2.387 180.029 177.584 0.096 0.000 1.169 536 A CA 1.534 53.681 52.037 0.183 0.000 0.635 536 A CB -0.734 18.449 19.000 0.305 0.000 0.810 536 A HN 0.261 nan 8.150 nan 0.000 0.446 537 V N -0.802 119.182 119.914 0.117 0.000 2.488 537 V HA -0.185 3.937 4.120 0.002 0.000 0.246 537 V C 2.416 178.581 176.094 0.119 0.000 1.046 537 V CA 2.148 64.514 62.300 0.110 0.000 1.053 537 V CB -0.914 30.988 31.823 0.131 0.000 0.679 537 V HN 0.849 nan 8.190 nan 0.000 0.458 538 H N 0.928 120.021 119.070 0.039 0.000 2.387 538 H HA -0.111 4.447 4.556 0.002 0.000 0.299 538 H C 2.178 177.489 175.328 -0.028 0.000 1.090 538 H CA 1.891 57.945 56.048 0.010 0.000 1.332 538 H CB 0.006 29.759 29.762 -0.016 0.000 1.386 538 H HN 0.327 nan 8.280 nan 0.000 0.516 539 K N -0.368 119.907 120.400 -0.208 0.000 2.103 539 K HA 0.096 4.417 4.320 0.002 0.000 0.204 539 K C 2.262 178.763 176.600 -0.164 0.000 1.052 539 K CA 0.756 56.873 56.287 -0.284 0.000 0.945 539 K CB 0.041 32.371 32.500 -0.283 0.000 0.722 539 K HN 0.333 nan 8.250 nan 0.000 0.443 540 A N 1.385 124.166 122.820 -0.066 0.000 2.178 540 A HA -0.170 4.151 4.320 0.002 0.000 0.218 540 A C 1.640 179.223 177.584 -0.002 0.000 1.157 540 A CA 1.229 53.259 52.037 -0.011 0.000 0.689 540 A CB -0.319 18.705 19.000 0.039 0.000 0.787 540 A HN 0.293 nan 8.150 nan 0.000 0.465 541 E N -1.071 119.109 120.200 -0.032 0.000 2.150 541 E HA -0.091 4.260 4.350 0.002 0.000 0.193 541 E C 1.594 178.187 176.600 -0.013 0.000 0.985 541 E CA 1.581 57.981 56.400 0.000 0.000 0.814 541 E CB 0.025 29.720 29.700 -0.009 0.000 0.752 541 E HN 0.629 nan 8.360 nan 0.000 0.466 542 T N 0.234 114.744 114.554 -0.073 0.000 3.391 542 T HA -0.001 4.351 4.350 0.002 0.000 0.233 542 T C 0.099 174.772 174.700 -0.046 0.000 0.960 542 T CA -0.199 61.867 62.100 -0.055 0.000 1.342 542 T CB -0.092 68.719 68.868 -0.095 0.000 1.124 542 T HN 0.004 nan 8.240 nan 0.000 0.396 543 D N 3.184 123.539 120.400 -0.075 0.000 2.406 543 D HA 0.071 4.712 4.640 0.002 0.000 0.234 543 D C -0.000 176.283 176.300 -0.028 0.000 1.196 543 D CA 0.286 54.253 54.000 -0.054 0.000 0.881 543 D CB 0.341 41.094 40.800 -0.079 0.000 1.205 543 D HN 0.472 nan 8.370 nan 0.000 0.453 544 D N -0.618 119.774 120.400 -0.013 0.000 2.283 544 D HA 0.139 4.780 4.640 0.002 0.000 0.248 544 D C 1.324 177.628 176.300 0.007 0.000 1.072 544 D CA -0.568 53.430 54.000 -0.003 0.000 0.929 544 D CB 1.313 42.111 40.800 -0.003 0.000 1.182 544 D HN 0.328 nan 8.370 nan 0.000 0.433 545 G N 2.036 110.839 108.800 0.004 0.000 2.624 545 G HA2 -0.393 3.568 3.960 0.002 0.000 0.221 545 G HA3 -0.393 3.568 3.960 0.002 0.000 0.221 545 G C 1.501 176.419 174.900 0.029 0.000 1.169 545 G CA 2.010 47.117 45.100 0.012 0.000 0.771 545 G HN 0.721 nan 8.290 nan 0.000 0.598 546 A N 0.318 123.152 122.820 0.024 0.000 1.978 546 A HA -0.068 4.254 4.320 0.002 0.000 0.220 546 A C 2.118 179.737 177.584 0.058 0.000 1.170 546 A CA 2.169 54.226 52.037 0.034 0.000 0.636 546 A CB -0.340 18.674 19.000 0.023 0.000 0.810 546 A HN 0.364 nan 8.150 nan 0.000 0.448 547 D N -0.346 120.088 120.400 0.056 0.000 2.103 547 D HA -0.074 4.568 4.640 0.002 0.000 0.199 547 D C 2.130 178.513 176.300 0.138 0.000 0.978 547 D CA 1.459 55.507 54.000 0.079 0.000 0.829 547 D CB -0.311 40.515 40.800 0.044 0.000 0.981 547 D HN 0.223 nan 8.370 nan 0.000 0.464 548 V N 1.600 121.586 119.914 0.120 0.000 2.407 548 V HA -0.208 3.913 4.120 0.002 0.000 0.248 548 V C 2.543 178.809 176.094 0.287 0.000 1.055 548 V CA 1.060 63.480 62.300 0.201 0.000 1.049 548 V CB -0.309 31.588 31.823 0.123 0.000 0.662 548 V HN 0.182 nan 8.190 nan 0.000 0.455 549 I N -0.468 120.206 120.570 0.174 0.000 2.315 549 I HA -0.228 3.943 4.170 0.002 0.000 0.248 549 I C 2.738 178.949 176.117 0.158 0.000 1.117 549 I CA 1.511 62.896 61.300 0.142 0.000 1.404 549 I CB -0.330 37.715 38.000 0.074 0.000 1.071 549 I HN 0.205 nan 8.210 nan 0.000 0.419 550 R N 0.038 120.634 120.500 0.161 0.000 2.115 550 R HA -0.234 4.108 4.340 0.002 0.000 0.230 550 R C 2.237 178.649 176.300 0.188 0.000 1.111 550 R CA 1.498 57.686 56.100 0.146 0.000 0.976 550 R CB -0.314 30.059 30.300 0.123 0.000 0.870 550 R HN 0.446 nan 8.270 nan 0.000 0.445 551 W N 0.507 121.849 121.300 0.071 0.000 2.388 551 W HA -0.154 4.507 4.660 0.003 0.000 0.294 551 W C 1.322 177.913 176.519 0.119 0.000 1.212 551 W CA 0.723 58.118 57.345 0.084 0.000 1.271 551 W CB -0.244 29.259 29.460 0.072 0.000 1.126 551 W HN 0.057 nan 8.180 nan 0.000 0.535 552 L N 1.030 122.269 121.223 0.026 0.000 2.056 552 L HA -0.190 4.152 4.340 0.002 0.000 0.207 552 L C 1.998 178.835 176.870 -0.055 0.000 1.078 552 L CA 2.096 56.856 54.840 -0.133 0.000 0.749 552 L CB -1.373 40.735 42.059 0.081 0.000 0.901 552 L HN -0.084 nan 8.230 nan 0.000 0.433 553 D N -0.953 119.478 120.400 0.051 0.000 2.117 553 D HA -0.121 4.520 4.640 0.002 0.000 0.198 553 D C 2.372 178.683 176.300 0.018 0.000 0.982 553 D CA 0.973 55.027 54.000 0.090 0.000 0.828 553 D CB -0.015 40.855 40.800 0.117 0.000 0.967 553 D HN 0.267 nan 8.370 nan 0.000 0.464 554 R N 0.093 120.585 120.500 -0.014 0.000 2.073 554 R HA -0.045 4.296 4.340 0.002 0.000 0.229 554 R C 2.399 178.668 176.300 -0.051 0.000 1.120 554 R CA 1.627 57.716 56.100 -0.018 0.000 0.967 554 R CB -0.557 29.756 30.300 0.022 0.000 0.862 554 R HN 0.297 nan 8.270 nan 0.000 0.436 555 T N 0.081 114.524 114.554 -0.184 0.000 2.867 555 T HA -0.106 4.245 4.350 0.002 0.000 0.268 555 T C 1.879 176.590 174.700 0.018 0.000 1.057 555 T CA 0.803 62.808 62.100 -0.159 0.000 1.136 555 T CB -0.213 68.390 68.868 -0.442 0.000 0.874 555 T HN 0.067 nan 8.240 nan 0.000 0.466 556 L N 1.272 122.538 121.223 0.071 0.000 1.994 556 L HA 0.116 4.457 4.340 0.002 0.000 0.208 556 L C 2.405 179.374 176.870 0.166 0.000 1.071 556 L CA 1.410 56.391 54.840 0.235 0.000 0.745 556 L CB -0.881 41.319 42.059 0.235 0.000 0.892 556 L HN 0.322 nan 8.230 nan 0.000 0.431 557 I N -0.450 120.163 120.570 0.072 0.000 2.118 557 I HA -0.388 3.784 4.170 0.002 0.000 0.241 557 I C 2.506 178.669 176.117 0.076 0.000 1.070 557 I CA 1.808 63.131 61.300 0.038 0.000 1.327 557 I CB -0.420 37.573 38.000 -0.011 0.000 1.034 557 I HN 0.297 nan 8.210 nan 0.000 0.405 558 K N 0.233 120.677 120.400 0.073 0.000 2.057 558 K HA -0.216 4.105 4.320 0.002 0.000 0.207 558 K C 2.071 178.746 176.600 0.125 0.000 1.049 558 K CA 1.291 57.630 56.287 0.086 0.000 0.931 558 K CB -0.341 32.205 32.500 0.077 0.000 0.714 558 K HN 0.133 nan 8.250 nan 0.000 0.440 559 L N 1.229 122.547 121.223 0.158 0.000 2.012 559 L HA -0.242 4.100 4.340 0.002 0.000 0.210 559 L C 2.095 179.101 176.870 0.226 0.000 1.073 559 L CA 1.795 56.766 54.840 0.218 0.000 0.748 559 L CB -0.572 41.575 42.059 0.146 0.000 0.891 559 L HN 0.220 nan 8.230 nan 0.000 0.431 560 C N -0.672 118.761 119.300 0.221 0.000 2.436 560 C HA -0.176 4.286 4.460 0.002 0.000 0.277 560 C C 2.687 177.822 174.990 0.242 0.000 1.241 560 C CA 0.926 60.103 59.018 0.265 0.000 1.721 560 C CB -1.037 26.938 27.740 0.390 0.000 2.043 560 C HN 0.608 nan 8.230 nan 0.000 0.472 561 Q N 0.412 120.333 119.800 0.202 0.000 2.197 561 Q HA -0.280 4.061 4.340 0.002 0.000 0.207 561 Q C 2.206 178.297 176.000 0.152 0.000 0.984 561 Q CA 1.766 57.700 55.803 0.219 0.000 0.869 561 Q CB -0.211 28.597 28.738 0.116 0.000 0.906 561 Q HN 0.697 nan 8.270 nan 0.000 0.426 562 K N -0.689 119.705 120.400 -0.011 0.000 2.211 562 K HA -0.079 4.242 4.320 0.002 0.000 0.201 562 K C 0.916 177.146 176.600 -0.617 0.000 1.052 562 K CA 0.778 56.889 56.287 -0.293 0.000 0.973 562 K CB 0.279 32.555 32.500 -0.373 0.000 0.766 562 K HN 0.159 nan 8.250 nan 0.000 0.466 563 Y N -0.183 119.995 120.300 -0.204 0.000 2.430 563 Y HA 0.382 4.933 4.550 0.002 0.000 0.248 563 Y C 0.665 176.299 175.900 -0.444 0.000 1.108 563 Y CA -0.410 57.416 58.100 -0.457 0.000 1.264 563 Y CB 0.757 38.620 38.460 -0.994 0.000 1.172 563 Y HN 0.017 nan 8.280 nan 0.000 0.520 564 A N 0.189 122.903 122.820 -0.175 0.000 2.287 564 A HA 0.293 4.615 4.320 0.002 0.000 0.273 564 A C -0.496 176.913 177.584 -0.292 0.000 1.091 564 A CA -0.327 51.536 52.037 -0.290 0.000 0.817 564 A CB 0.174 18.905 19.000 -0.448 0.000 1.069 564 A HN 0.133 nan 8.150 nan 0.000 0.492 565 D N -0.046 120.156 120.400 -0.330 0.000 2.278 565 D HA 0.596 5.237 4.640 0.002 0.000 0.245 565 D C -1.225 174.951 176.300 -0.205 0.000 1.052 565 D CA 0.646 54.439 54.000 -0.345 0.000 0.834 565 D CB 1.532 42.197 40.800 -0.226 0.000 1.194 565 D HN 0.502 nan 8.370 nan 0.000 0.481 566 Y N -1.107 119.153 120.300 -0.065 0.000 2.814 566 Y HA 0.349 4.901 4.550 0.002 0.000 0.348 566 Y C -1.564 174.341 175.900 0.009 0.000 1.245 566 Y CA -1.321 56.779 58.100 0.001 0.000 1.086 566 Y CB 0.690 39.202 38.460 0.088 0.000 1.373 566 Y HN 0.036 nan 8.280 nan 0.000 0.451 567 N N 1.701 120.577 118.700 0.292 0.000 2.405 567 N HA 0.267 5.009 4.740 0.002 0.000 0.299 567 N C -1.117 174.558 175.510 0.275 0.000 1.075 567 N CA -0.908 52.259 53.050 0.196 0.000 0.884 567 N CB 1.632 40.182 38.487 0.104 0.000 1.194 567 N HN 0.465 nan 8.380 nan 0.000 0.491 568 K N 1.024 121.553 120.400 0.215 0.000 2.527 568 K HA -0.037 4.284 4.320 0.002 0.000 0.278 568 K C 0.052 176.696 176.600 0.073 0.000 0.981 568 K CA 0.319 56.695 56.287 0.149 0.000 1.009 568 K CB 0.097 32.660 32.500 0.104 0.000 0.895 568 K HN 0.538 nan 8.250 nan 0.000 0.493 569 D N 0.420 120.833 120.400 0.022 0.000 2.955 569 D HA -0.194 4.448 4.640 0.002 0.000 0.226 569 D C -0.359 175.948 176.300 0.012 0.000 1.178 569 D CA 1.317 55.317 54.000 0.000 0.000 0.808 569 D CB -0.653 40.150 40.800 0.005 0.000 1.099 569 D HN 0.604 nan 8.370 nan 0.000 0.421 570 D N -1.064 119.359 120.400 0.037 0.000 2.551 570 D HA 0.235 4.876 4.640 0.002 0.000 0.294 570 D C -1.644 174.690 176.300 0.057 0.000 1.201 570 D CA -2.161 51.870 54.000 0.052 0.000 0.941 570 D CB 0.954 41.803 40.800 0.082 0.000 0.995 570 D HN -0.060 nan 8.370 nan 0.000 0.502 571 P HA -0.189 nan 4.420 nan 0.000 0.218 571 P C 0.972 178.300 177.300 0.048 0.000 1.154 571 P CA 1.346 64.436 63.100 -0.016 0.000 0.872 571 P CB 0.303 31.972 31.700 -0.052 0.000 0.790 572 Q N -1.081 118.752 119.800 0.054 0.000 2.482 572 Q HA -0.007 4.335 4.340 0.002 0.000 0.209 572 Q C 1.830 177.898 176.000 0.113 0.000 0.961 572 Q CA 0.979 56.827 55.803 0.074 0.000 0.945 572 Q CB -0.306 28.457 28.738 0.041 0.000 1.012 572 Q HN 0.332 nan 8.270 nan 0.000 0.515 573 S N -0.687 115.098 115.700 0.141 0.000 2.558 573 S HA 0.010 4.482 4.470 0.002 0.000 0.217 573 S C 0.379 175.100 174.600 0.201 0.000 0.975 573 S CA -0.565 57.721 58.200 0.143 0.000 0.912 573 S CB -0.186 63.096 63.200 0.136 0.000 0.776 573 S HN 0.300 nan 8.310 nan 0.000 0.526 574 F N 4.158 124.164 119.950 0.094 0.000 2.612 574 F HA 0.320 4.848 4.527 0.002 0.000 0.389 574 F C 0.545 176.397 175.800 0.088 0.000 1.055 574 F CA 0.142 58.212 58.000 0.117 0.000 1.232 574 F CB 0.319 39.343 39.000 0.041 0.000 1.044 574 F HN 0.040 nan 8.300 nan 0.000 0.560 575 R N 6.295 126.525 120.500 -0.450 0.000 2.564 575 R HA 0.511 4.853 4.340 0.002 0.000 0.284 575 R C -2.006 174.015 176.300 -0.466 0.000 1.031 575 R CA -1.100 54.809 56.100 -0.319 0.000 0.904 575 R CB 1.791 32.009 30.300 -0.137 0.000 1.199 575 R HN 0.590 nan 8.270 nan 0.000 0.443 576 L N 1.571 122.624 121.223 -0.283 0.000 2.365 576 L HA 0.654 4.996 4.340 0.002 0.000 0.273 576 L C -0.074 176.792 176.870 -0.006 0.000 1.000 576 L CA -0.546 54.191 54.840 -0.171 0.000 0.819 576 L CB 1.883 43.916 42.059 -0.045 0.000 1.284 576 L HN 0.851 nan 8.230 nan 0.000 0.418 577 A N 5.563 128.406 122.820 0.037 0.000 2.448 577 A HA 0.389 4.711 4.320 0.002 0.000 0.239 577 A C -1.687 176.012 177.584 0.190 0.000 1.080 577 A CA -0.544 51.563 52.037 0.117 0.000 0.779 577 A CB -0.491 18.609 19.000 0.166 0.000 1.026 577 A HN 0.782 nan 8.150 nan 0.000 0.499 578 P HA -0.177 nan 4.420 nan 0.000 0.217 578 P C 0.846 178.251 177.300 0.175 0.000 1.148 578 P CA 1.662 64.843 63.100 0.135 0.000 0.828 578 P CB -0.036 31.716 31.700 0.088 0.000 0.783 579 N N -1.885 116.943 118.700 0.214 0.000 2.383 579 N HA -0.014 4.728 4.740 0.002 0.000 0.192 579 N C 0.657 176.243 175.510 0.127 0.000 1.141 579 N CA 0.571 53.728 53.050 0.178 0.000 0.851 579 N CB -0.586 37.995 38.487 0.156 0.000 0.976 579 N HN 0.217 nan 8.380 nan 0.000 0.465 580 F N 0.229 120.301 119.950 0.203 0.000 2.784 580 F HA 0.152 4.680 4.527 0.002 0.000 0.316 580 F C 2.277 178.223 175.800 0.242 0.000 1.026 580 F CA 0.072 58.203 58.000 0.219 0.000 1.188 580 F CB 0.013 39.041 39.000 0.046 0.000 0.999 580 F HN -0.009 nan 8.300 nan 0.000 0.605 581 S N 0.680 116.590 115.700 0.350 0.000 2.423 581 S HA -0.215 4.256 4.470 0.002 0.000 0.238 581 S C 1.732 176.451 174.600 0.198 0.000 1.028 581 S CA 1.398 59.744 58.200 0.245 0.000 1.000 581 S CB -0.762 62.535 63.200 0.162 0.000 0.797 581 S HN 0.447 nan 8.310 nan 0.000 0.487 582 L N -1.135 120.197 121.223 0.183 0.000 2.416 582 L HA 0.195 4.537 4.340 0.002 0.000 0.216 582 L C 2.361 179.263 176.870 0.054 0.000 1.098 582 L CA 0.494 55.333 54.840 -0.002 0.000 0.840 582 L CB -0.491 41.515 42.059 -0.089 0.000 0.981 582 L HN 0.225 nan 8.230 nan 0.000 0.462 583 Y N 2.358 122.824 120.300 0.277 0.000 2.114 583 Y HA -0.218 4.333 4.550 0.002 0.000 0.282 583 Y C -0.493 175.609 175.900 0.336 0.000 1.165 583 Y CA 2.032 60.378 58.100 0.410 0.000 1.148 583 Y CB -1.383 37.330 38.460 0.421 0.000 0.972 583 Y HN 0.119 nan 8.280 nan 0.000 0.504 584 P HA -0.212 nan 4.420 nan 0.000 0.218 584 P C 1.326 178.742 177.300 0.193 0.000 1.148 584 P CA 2.252 65.509 63.100 0.261 0.000 0.822 584 P CB -0.147 31.735 31.700 0.303 0.000 0.784 585 Q N -1.372 118.465 119.800 0.062 0.000 2.123 585 Q HA -0.114 4.227 4.340 0.002 0.000 0.199 585 Q C 1.837 177.905 176.000 0.115 0.000 0.966 585 Q CA 1.271 57.088 55.803 0.024 0.000 0.845 585 Q CB -0.494 28.169 28.738 -0.125 0.000 0.907 585 Q HN 0.192 nan 8.270 nan 0.000 0.439 586 F N -0.086 119.932 119.950 0.113 0.000 2.146 586 F HA -0.182 4.347 4.527 0.002 0.000 0.298 586 F C 2.465 178.262 175.800 -0.006 0.000 1.096 586 F CA 1.231 59.267 58.000 0.060 0.000 1.275 586 F CB -0.301 38.664 39.000 -0.059 0.000 1.008 586 F HN 0.096 nan 8.300 nan 0.000 0.480 587 T N -0.567 114.018 114.554 0.051 0.000 2.684 587 T HA -0.308 4.043 4.350 0.002 0.000 0.267 587 T C 1.618 176.278 174.700 -0.068 0.000 1.036 587 T CA 1.765 63.855 62.100 -0.017 0.000 1.148 587 T CB -0.743 68.134 68.868 0.015 0.000 0.863 587 T HN 0.372 nan 8.240 nan 0.000 0.436 588 Y N 0.678 120.795 120.300 -0.305 0.000 2.165 588 Y HA -0.256 4.296 4.550 0.003 0.000 0.286 588 Y C 1.991 177.570 175.900 -0.535 0.000 1.155 588 Y CA 1.272 58.906 58.100 -0.776 0.000 1.164 588 Y CB -0.505 37.446 38.460 -0.850 0.000 0.978 588 Y HN 0.300 nan 8.280 nan 0.000 0.513 589 Y N -1.227 118.993 120.300 -0.133 0.000 2.337 589 Y HA -0.126 4.425 4.550 0.002 0.000 0.293 589 Y C 2.182 177.998 175.900 -0.140 0.000 1.123 589 Y CA 0.902 58.913 58.100 -0.148 0.000 1.201 589 Y CB -0.347 38.145 38.460 0.053 0.000 1.011 589 Y HN 0.266 nan 8.280 nan 0.000 0.545 590 L N 1.468 122.722 121.223 0.051 0.000 2.005 590 L HA -0.171 4.170 4.340 0.002 0.000 0.207 590 L C 2.601 179.446 176.870 -0.042 0.000 1.072 590 L CA 1.710 56.566 54.840 0.027 0.000 0.744 590 L CB -0.734 41.342 42.059 0.028 0.000 0.895 590 L HN 0.199 nan 8.230 nan 0.000 0.433 591 R N 0.574 121.004 120.500 -0.117 0.000 2.139 591 R HA -0.212 4.129 4.340 0.002 0.000 0.243 591 R C 1.761 177.959 176.300 -0.170 0.000 1.145 591 R CA 1.858 57.883 56.100 -0.124 0.000 0.976 591 R CB -0.831 29.369 30.300 -0.166 0.000 0.866 591 R HN 0.571 nan 8.270 nan 0.000 0.449 592 R N 1.245 121.583 120.500 -0.270 0.000 2.359 592 R HA 0.174 4.515 4.340 0.002 0.000 0.231 592 R C 0.305 176.511 176.300 -0.156 0.000 0.913 592 R CA 0.200 56.149 56.100 -0.252 0.000 1.075 592 R CB 0.333 30.384 30.300 -0.416 0.000 1.087 592 R HN 0.231 nan 8.270 nan 0.000 0.515 593 S N -0.051 115.588 115.700 -0.103 0.000 2.624 593 S HA 0.044 4.515 4.470 0.002 0.000 0.263 593 S C 0.752 175.225 174.600 -0.210 0.000 1.287 593 S CA -0.694 57.431 58.200 -0.124 0.000 0.990 593 S CB 1.146 64.349 63.200 0.005 0.000 0.950 593 S HN 0.378 nan 8.310 nan 0.000 0.561 594 Q N -0.401 119.134 119.800 -0.442 0.000 2.515 594 Q HA 0.070 4.412 4.340 0.002 0.000 0.212 594 Q C 0.820 176.591 176.000 -0.380 0.000 0.970 594 Q CA 0.828 56.374 55.803 -0.428 0.000 0.941 594 Q CB -0.409 27.980 28.738 -0.582 0.000 0.998 594 Q HN 0.841 nan 8.270 nan 0.000 0.518 595 F N -0.855 119.015 119.950 -0.133 0.000 2.335 595 F HA -0.045 4.483 4.527 0.002 0.000 0.296 595 F C 1.715 177.475 175.800 -0.065 0.000 1.091 595 F CA 0.647 58.584 58.000 -0.104 0.000 1.399 595 F CB 0.244 39.105 39.000 -0.232 0.000 1.067 595 F HN 0.009 nan 8.300 nan 0.000 0.520 596 L N -2.215 119.060 121.223 0.087 0.000 2.500 596 L HA 0.177 4.519 4.340 0.002 0.000 0.219 596 L C 0.757 177.619 176.870 -0.012 0.000 1.057 596 L CA 0.193 55.059 54.840 0.043 0.000 0.854 596 L CB 0.184 42.272 42.059 0.048 0.000 1.078 596 L HN -0.172 nan 8.230 nan 0.000 0.480 597 S N 0.578 116.253 115.700 -0.042 0.000 2.474 597 S HA 0.266 4.738 4.470 0.002 0.000 0.320 597 S C 0.412 174.976 174.600 -0.059 0.000 1.067 597 S CA -0.581 57.589 58.200 -0.049 0.000 1.127 597 S CB 1.067 64.235 63.200 -0.053 0.000 0.971 597 S HN 0.113 nan 8.310 nan 0.000 0.472 598 V N 3.844 123.694 119.914 -0.106 0.000 3.252 598 V HA 0.514 4.635 4.120 0.002 0.000 0.350 598 V C 0.134 176.179 176.094 -0.081 0.000 1.329 598 V CA -0.611 61.585 62.300 -0.173 0.000 1.258 598 V CB -1.435 30.048 31.823 -0.566 0.000 1.208 598 V HN 0.706 nan 8.190 nan 0.000 0.462 599 F N 2.533 122.422 119.950 -0.102 0.000 2.459 599 F HA 0.402 4.930 4.527 0.002 0.000 0.346 599 F C 1.295 177.078 175.800 -0.027 0.000 1.128 599 F CA 0.484 58.450 58.000 -0.057 0.000 1.268 599 F CB 0.447 39.412 39.000 -0.058 0.000 1.161 599 F HN 0.459 nan 8.300 nan 0.000 0.583 600 N N 2.294 120.363 118.700 -1.052 0.000 2.708 600 N HA -0.317 4.424 4.740 0.002 0.000 0.251 600 N C -1.403 173.966 175.510 -0.236 0.000 1.123 600 N CA 1.304 53.951 53.050 -0.672 0.000 0.739 600 N CB -1.714 36.483 38.487 -0.484 0.000 1.113 600 N HN 0.826 nan 8.380 nan 0.000 0.561 601 N N -1.218 117.409 118.700 -0.121 0.000 2.381 601 N HA 0.502 5.243 4.740 0.002 0.000 0.294 601 N C -0.920 174.652 175.510 0.104 0.000 1.216 601 N CA -0.246 52.822 53.050 0.030 0.000 0.803 601 N CB 1.280 39.822 38.487 0.093 0.000 1.372 601 N HN 0.295 nan 8.380 nan 0.000 0.500 602 S N 0.190 115.926 115.700 0.061 0.000 2.593 602 S HA 0.430 4.901 4.470 0.002 0.000 0.297 602 S C -2.169 172.365 174.600 -0.110 0.000 1.112 602 S CA -1.299 56.882 58.200 -0.032 0.000 1.043 602 S CB 2.405 65.562 63.200 -0.071 0.000 1.054 602 S HN 0.257 nan 8.310 nan 0.000 0.516 603 P HA -0.083 nan 4.420 nan 0.000 0.215 603 P C 0.572 177.793 177.300 -0.132 0.000 1.157 603 P CA 1.323 64.139 63.100 -0.473 0.000 0.868 603 P CB -0.043 31.369 31.700 -0.480 0.000 0.788 604 D N -1.099 119.233 120.400 -0.114 0.000 2.149 604 D HA -0.173 4.468 4.640 0.002 0.000 0.198 604 D C 1.939 178.181 176.300 -0.097 0.000 0.990 604 D CA 0.998 54.947 54.000 -0.084 0.000 0.839 604 D CB -0.479 40.258 40.800 -0.104 0.000 0.948 604 D HN 0.303 nan 8.370 nan 0.000 0.460 605 E N -0.352 119.770 120.200 -0.131 0.000 2.031 605 E HA -0.154 4.197 4.350 0.002 0.000 0.193 605 E C 1.710 178.111 176.600 -0.331 0.000 0.994 605 E CA 1.490 57.734 56.400 -0.260 0.000 0.800 605 E CB 0.107 29.714 29.700 -0.155 0.000 0.752 605 E HN 0.138 nan 8.360 nan 0.000 0.447 606 T N 0.590 115.130 114.554 -0.023 0.000 2.746 606 T HA -0.158 4.194 4.350 0.002 0.000 0.267 606 T C 1.830 176.615 174.700 0.142 0.000 1.039 606 T CA 1.256 63.440 62.100 0.140 0.000 1.142 606 T CB -0.304 68.743 68.868 0.298 0.000 0.866 606 T HN 0.322 nan 8.240 nan 0.000 0.444 607 A N 1.022 123.906 122.820 0.107 0.000 1.933 607 A HA -0.030 4.291 4.320 0.002 0.000 0.218 607 A C 1.998 179.696 177.584 0.190 0.000 1.175 607 A CA 1.310 53.429 52.037 0.137 0.000 0.628 607 A CB -0.883 18.167 19.000 0.084 0.000 0.814 607 A HN 0.486 nan 8.150 nan 0.000 0.444 608 F N -0.380 119.528 119.950 -0.070 0.000 2.113 608 F HA -0.148 4.380 4.527 0.002 0.000 0.297 608 F C 2.113 178.019 175.800 0.175 0.000 1.103 608 F CA 1.352 59.327 58.000 -0.041 0.000 1.248 608 F CB -0.699 38.161 39.000 -0.233 0.000 0.999 608 F HN 0.367 nan 8.300 nan 0.000 0.475 609 Y N 0.167 120.482 120.300 0.024 0.000 2.181 609 Y HA -0.208 4.343 4.550 0.002 0.000 0.288 609 Y C 2.660 178.749 175.900 0.315 0.000 1.146 609 Y CA 1.194 59.262 58.100 -0.055 0.000 1.164 609 Y CB -0.406 37.901 38.460 -0.255 0.000 0.982 609 Y HN -0.050 nan 8.280 nan 0.000 0.515 610 R N -0.878 119.894 120.500 0.453 0.000 2.092 610 R HA -0.171 4.171 4.340 0.002 0.000 0.231 610 R C 1.995 178.480 176.300 0.308 0.000 1.119 610 R CA 1.498 57.819 56.100 0.370 0.000 0.970 610 R CB -0.547 29.928 30.300 0.293 0.000 0.864 610 R HN 0.455 nan 8.270 nan 0.000 0.440 611 H N 1.144 120.328 119.070 0.190 0.000 2.290 611 H HA -0.072 4.485 4.556 0.002 0.000 0.298 611 H C 1.882 177.350 175.328 0.234 0.000 1.087 611 H CA 1.965 58.118 56.048 0.174 0.000 1.291 611 H CB -0.142 29.690 29.762 0.116 0.000 1.369 611 H HN 0.059 nan 8.280 nan 0.000 0.492 612 I N -0.563 120.067 120.570 0.101 0.000 2.142 612 I HA -0.249 3.922 4.170 0.002 0.000 0.240 612 I C 2.139 178.163 176.117 -0.156 0.000 1.078 612 I CA 1.411 62.680 61.300 -0.053 0.000 1.343 612 I CB -0.427 37.619 38.000 0.078 0.000 1.046 612 I HN 0.266 nan 8.210 nan 0.000 0.405 613 F N 2.184 122.051 119.950 -0.138 0.000 2.120 613 F HA -0.272 4.257 4.527 0.002 0.000 0.300 613 F C 2.567 178.165 175.800 -0.338 0.000 1.095 613 F CA 1.992 59.801 58.000 -0.319 0.000 1.249 613 F CB -0.603 38.105 39.000 -0.488 0.000 0.995 613 F HN 0.106 nan 8.300 nan 0.000 0.480 614 T N -2.040 112.366 114.554 -0.248 0.000 3.439 614 T HA 0.069 4.420 4.350 0.002 0.000 0.251 614 T C 1.580 175.922 174.700 -0.595 0.000 1.108 614 T CA 0.231 62.139 62.100 -0.320 0.000 0.982 614 T CB -0.383 68.496 68.868 0.018 0.000 1.024 614 T HN 0.475 nan 8.240 nan 0.000 0.573 615 R N -0.458 119.569 120.500 -0.789 0.000 2.568 615 R HA 0.273 4.615 4.340 0.002 0.000 0.254 615 R C -0.027 175.801 176.300 -0.786 0.000 0.925 615 R CA -0.150 55.326 56.100 -1.040 0.000 1.025 615 R CB 0.608 30.177 30.300 -1.218 0.000 1.428 615 R HN 0.276 nan 8.270 nan 0.000 0.573 616 E N 1.793 121.569 120.200 -0.706 0.000 2.345 616 E HA 0.050 4.401 4.350 0.002 0.000 0.259 616 E C -0.817 175.442 176.600 -0.569 0.000 1.117 616 E CA -0.302 55.730 56.400 -0.614 0.000 0.913 616 E CB 0.866 30.156 29.700 -0.683 0.000 1.057 616 E HN 0.215 nan 8.360 nan 0.000 0.432 617 D N 0.170 120.308 120.400 -0.436 0.000 2.466 617 D HA 0.126 4.768 4.640 0.002 0.000 0.262 617 D C 0.557 176.645 176.300 -0.354 0.000 1.177 617 D CA -0.327 53.451 54.000 -0.371 0.000 1.035 617 D CB 0.039 40.672 40.800 -0.277 0.000 1.105 617 D HN 0.344 nan 8.370 nan 0.000 0.551 618 T N -0.382 113.993 114.554 -0.298 0.000 2.699 618 T HA -0.158 4.194 4.350 0.002 0.000 0.268 618 T C 1.750 176.314 174.700 -0.226 0.000 1.036 618 T CA 2.265 64.203 62.100 -0.271 0.000 1.147 618 T CB -0.549 68.178 68.868 -0.235 0.000 0.862 618 T HN 0.529 nan 8.240 nan 0.000 0.446 619 T N 2.503 116.949 114.554 -0.180 0.000 2.643 619 T HA -0.091 4.260 4.350 0.002 0.000 0.264 619 T C 2.051 176.669 174.700 -0.137 0.000 1.045 619 T CA 1.061 63.085 62.100 -0.127 0.000 1.155 619 T CB -0.383 68.433 68.868 -0.087 0.000 0.863 619 T HN 0.329 nan 8.240 nan 0.000 0.420 620 N N 1.068 119.660 118.700 -0.181 0.000 2.309 620 N HA -0.002 4.739 4.740 0.002 0.000 0.182 620 N C 2.087 177.391 175.510 -0.344 0.000 1.018 620 N CA 0.710 53.615 53.050 -0.242 0.000 0.876 620 N CB -0.332 37.950 38.487 -0.342 0.000 0.972 620 N HN 0.254 nan 8.380 nan 0.000 0.434 621 S N 1.085 116.585 115.700 -0.333 0.000 2.383 621 S HA 0.085 4.556 4.470 0.002 0.000 0.227 621 S C 2.108 176.673 174.600 -0.059 0.000 1.026 621 S CA 0.437 58.488 58.200 -0.247 0.000 0.981 621 S CB -0.061 62.883 63.200 -0.426 0.000 0.818 621 S HN 0.254 nan 8.310 nan 0.000 0.472 622 L N 1.064 122.206 121.223 -0.135 0.000 2.046 622 L HA -0.073 4.268 4.340 0.002 0.000 0.208 622 L C 2.177 179.038 176.870 -0.016 0.000 1.077 622 L CA 1.112 55.882 54.840 -0.116 0.000 0.747 622 L CB -0.656 41.316 42.059 -0.145 0.000 0.896 622 L HN 0.300 nan 8.230 nan 0.000 0.432 623 I N -0.428 120.126 120.570 -0.027 0.000 2.208 623 I HA -0.338 3.834 4.170 0.002 0.000 0.245 623 I C 2.622 178.760 176.117 0.036 0.000 1.097 623 I CA 1.537 62.841 61.300 0.006 0.000 1.363 623 I CB -0.222 37.795 38.000 0.029 0.000 1.051 623 I HN 0.308 nan 8.210 nan 0.000 0.413 624 M N -0.058 119.573 119.600 0.051 0.000 2.175 624 M HA -0.157 4.324 4.480 0.002 0.000 0.264 624 M C 2.320 178.788 176.300 0.279 0.000 1.063 624 M CA 1.816 57.251 55.300 0.225 0.000 1.119 624 M CB -0.266 32.535 32.600 0.334 0.000 1.377 624 M HN 0.198 nan 8.290 nan 0.000 0.415 625 I N -0.783 119.884 120.570 0.161 0.000 2.233 625 I HA -0.188 3.983 4.170 0.002 0.000 0.243 625 I C 1.478 177.673 176.117 0.130 0.000 1.093 625 I CA 1.055 62.440 61.300 0.142 0.000 1.380 625 I CB 0.050 38.093 38.000 0.072 0.000 1.067 625 I HN 0.304 nan 8.210 nan 0.000 0.413 626 Q N 1.379 121.220 119.800 0.068 0.000 2.616 626 Q HA 0.323 4.664 4.340 0.002 0.000 0.250 626 Q C -2.495 173.437 176.000 -0.113 0.000 0.991 626 Q CA -2.029 53.704 55.803 -0.116 0.000 0.707 626 Q CB 1.481 30.165 28.738 -0.090 0.000 1.247 626 Q HN -0.045 nan 8.270 nan 0.000 0.491 627 P HA -0.053 nan 4.420 nan 0.000 0.267 627 P C -0.795 176.455 177.300 -0.085 0.000 1.195 627 P CA 0.291 63.340 63.100 -0.085 0.000 0.773 627 P CB 0.625 32.270 31.700 -0.092 0.000 0.837 628 T N 2.650 117.176 114.554 -0.046 0.000 2.856 628 T HA 0.439 4.791 4.350 0.002 0.000 0.292 628 T C -0.296 174.399 174.700 -0.009 0.000 0.980 628 T CA -0.115 61.969 62.100 -0.026 0.000 1.091 628 T CB 0.248 69.114 68.868 -0.004 0.000 0.936 628 T HN 0.151 nan 8.240 nan 0.000 0.503 629 L N 3.368 124.587 121.223 -0.006 0.000 2.372 629 L HA 0.524 4.865 4.340 0.002 0.000 0.274 629 L C -0.520 176.367 176.870 0.027 0.000 0.988 629 L CA -0.075 54.777 54.840 0.020 0.000 0.833 629 L CB 1.774 43.835 42.059 0.003 0.000 1.236 629 L HN 0.663 nan 8.230 nan 0.000 0.410 630 T N 2.420 117.020 114.554 0.077 0.000 2.824 630 T HA 0.449 4.801 4.350 0.002 0.000 0.282 630 T C -0.609 174.155 174.700 0.106 0.000 0.993 630 T CA -0.463 61.653 62.100 0.027 0.000 0.967 630 T CB 1.533 70.399 68.868 -0.004 0.000 0.960 630 T HN 0.501 nan 8.240 nan 0.000 0.441 631 S N 2.446 118.136 115.700 -0.017 0.000 2.442 631 S HA 0.716 5.188 4.470 0.002 0.000 0.297 631 S C -1.145 173.452 174.600 -0.006 0.000 1.131 631 S CA -0.677 57.582 58.200 0.098 0.000 1.092 631 S CB -0.082 63.156 63.200 0.063 0.000 0.998 631 S HN 0.413 nan 8.310 nan 0.000 0.478 632 F N 2.862 122.829 119.950 0.028 0.000 2.480 632 F HA 0.660 5.189 4.527 0.002 0.000 0.329 632 F C 0.854 176.682 175.800 0.046 0.000 1.091 632 F CA -0.528 57.489 58.000 0.029 0.000 0.972 632 F CB 1.983 40.992 39.000 0.015 0.000 1.150 632 F HN 0.644 nan 8.300 nan 0.000 0.467 633 S N 1.931 117.758 115.700 0.212 0.000 2.794 633 S HA 0.560 5.032 4.470 0.002 0.000 0.299 633 S C 0.288 174.986 174.600 0.163 0.000 1.179 633 S CA -0.754 57.551 58.200 0.175 0.000 0.838 633 S CB 1.649 64.927 63.200 0.131 0.000 1.206 633 S HN 0.560 nan 8.310 nan 0.000 0.523 634 M N 1.046 120.746 119.600 0.166 0.000 2.191 634 M HA 0.224 4.705 4.480 0.002 0.000 0.262 634 M C 1.206 177.574 176.300 0.112 0.000 1.083 634 M CA 1.758 57.151 55.300 0.154 0.000 1.154 634 M CB -0.763 31.944 32.600 0.178 0.000 1.344 634 M HN 0.817 nan 8.290 nan 0.000 0.431 635 E N 0.513 120.773 120.200 0.101 0.000 2.494 635 E HA 0.101 4.452 4.350 0.002 0.000 0.193 635 E C -0.665 175.971 176.600 0.060 0.000 1.074 635 E CA 0.290 56.735 56.400 0.075 0.000 0.867 635 E CB -0.307 29.435 29.700 0.070 0.000 0.924 635 E HN 0.407 nan 8.360 nan 0.000 0.502 636 D N -0.313 120.124 120.400 0.063 0.000 2.596 636 D HA 0.214 4.855 4.640 0.002 0.000 0.262 636 D C -0.765 175.552 176.300 0.029 0.000 1.210 636 D CA -0.668 53.355 54.000 0.038 0.000 0.873 636 D CB 1.352 42.168 40.800 0.026 0.000 1.408 636 D HN -0.219 nan 8.370 nan 0.000 0.441 637 D N 0.247 120.645 120.400 -0.003 0.000 2.312 637 D HA 0.348 4.989 4.640 0.002 0.000 0.248 637 D C -2.168 174.062 176.300 -0.117 0.000 1.086 637 D CA -1.180 52.801 54.000 -0.033 0.000 0.948 637 D CB 0.488 41.268 40.800 -0.032 0.000 1.162 637 D HN -0.125 nan 8.370 nan 0.000 0.446 638 P HA -0.005 nan 4.420 nan 0.000 0.264 638 P C -0.687 176.412 177.300 -0.336 0.000 1.179 638 P CA 0.422 63.190 63.100 -0.554 0.000 0.763 638 P CB 0.424 31.681 31.700 -0.738 0.000 0.806 639 Q N 3.474 123.080 119.800 -0.323 0.000 2.340 639 Q HA 0.426 4.767 4.340 0.002 0.000 0.276 639 Q C -3.002 172.916 176.000 -0.138 0.000 1.048 639 Q CA -2.366 53.334 55.803 -0.172 0.000 0.832 639 Q CB 2.171 30.849 28.738 -0.101 0.000 1.373 639 Q HN 0.143 nan 8.270 nan 0.000 0.409 640 P HA 0.102 nan 4.420 nan 0.000 0.276 640 P C -1.057 176.220 177.300 -0.038 0.000 1.235 640 P CA -0.120 62.946 63.100 -0.058 0.000 0.772 640 P CB 0.877 32.551 31.700 -0.043 0.000 0.871 641 V N 1.528 121.427 119.914 -0.025 0.000 2.960 641 V HA 0.500 4.622 4.120 0.002 0.000 0.315 641 V C -0.342 175.745 176.094 -0.012 0.000 1.087 641 V CA -1.419 60.874 62.300 -0.012 0.000 0.982 641 V CB 1.370 33.194 31.823 0.001 0.000 1.039 641 V HN 0.107 nan 8.190 nan 0.000 0.437 642 L N 2.525 123.745 121.223 -0.005 0.000 2.490 642 L HA 0.177 4.519 4.340 0.002 0.000 0.274 642 L C 0.484 177.359 176.870 0.007 0.000 1.201 642 L CA 0.202 55.042 54.840 -0.000 0.000 0.869 642 L CB 0.164 42.230 42.059 0.012 0.000 1.123 642 L HN 0.723 nan 8.230 nan 0.000 0.484 643 L N 4.294 125.515 121.223 -0.003 0.000 2.436 643 L HA 0.182 4.523 4.340 0.002 0.000 0.244 643 L C -0.186 176.749 176.870 0.108 0.000 1.396 643 L CA 0.730 55.576 54.840 0.010 0.000 1.217 643 L CB -1.218 40.772 42.059 -0.116 0.000 1.420 643 L HN 0.585 nan 8.230 nan 0.000 0.434 644 D N -0.906 119.533 120.400 0.065 0.000 2.523 644 D HA 0.253 4.895 4.640 0.002 0.000 0.236 644 D C 0.802 177.119 176.300 0.028 0.000 1.094 644 D CA 0.325 54.363 54.000 0.064 0.000 0.942 644 D CB 2.324 43.149 40.800 0.042 0.000 1.447 644 D HN 0.275 nan 8.370 nan 0.000 0.479 645 S N 1.087 116.801 115.700 0.023 0.000 2.436 645 S HA -0.087 4.385 4.470 0.002 0.000 0.228 645 S C 2.162 176.763 174.600 0.001 0.000 1.014 645 S CA 0.142 58.343 58.200 0.002 0.000 0.950 645 S CB -0.201 63.005 63.200 0.009 0.000 0.784 645 S HN 0.604 nan 8.310 nan 0.000 0.504 646 I N 1.848 122.423 120.570 0.010 0.000 2.454 646 I HA -0.150 4.021 4.170 0.002 0.000 0.254 646 I C 1.592 177.717 176.117 0.015 0.000 1.156 646 I CA 0.983 62.291 61.300 0.012 0.000 1.433 646 I CB -0.189 37.817 38.000 0.011 0.000 1.082 646 I HN 0.242 nan 8.210 nan 0.000 0.432 647 S N 0.021 115.727 115.700 0.011 0.000 2.515 647 S HA 0.034 4.505 4.470 0.002 0.000 0.231 647 S C 0.718 175.331 174.600 0.022 0.000 0.987 647 S CA 0.100 58.310 58.200 0.017 0.000 0.936 647 S CB -0.201 63.007 63.200 0.013 0.000 0.766 647 S HN 0.186 nan 8.310 nan 0.000 0.528 648 V N 3.200 123.116 119.914 0.003 0.000 2.470 648 V HA 0.226 4.347 4.120 0.002 0.000 0.276 648 V C 0.108 176.246 176.094 0.075 0.000 1.040 648 V CA 0.143 62.450 62.300 0.010 0.000 1.008 648 V CB 0.339 32.120 31.823 -0.070 0.000 0.990 648 V HN 0.242 nan 8.190 nan 0.000 0.477 649 K N 6.763 127.241 120.400 0.129 0.000 2.468 649 K HA 0.411 4.733 4.320 0.002 0.000 0.252 649 K C -2.000 174.665 176.600 0.109 0.000 0.932 649 K CA -1.762 54.587 56.287 0.104 0.000 0.794 649 K CB 2.736 35.285 32.500 0.081 0.000 1.241 649 K HN 0.205 nan 8.250 nan 0.000 0.428 650 P HA -0.212 nan 4.420 nan 0.000 0.221 650 P C 0.032 177.300 177.300 -0.054 0.000 1.145 650 P CA 1.482 64.573 63.100 -0.016 0.000 0.795 650 P CB -0.041 31.628 31.700 -0.050 0.000 0.775 651 N N -0.875 117.829 118.700 0.007 0.000 2.251 651 N HA 0.078 4.819 4.740 0.002 0.000 0.217 651 N C -0.135 175.448 175.510 0.122 0.000 1.124 651 N CA -0.403 52.674 53.050 0.046 0.000 0.843 651 N CB 0.136 38.674 38.487 0.085 0.000 1.024 651 N HN 0.042 nan 8.380 nan 0.000 0.501 652 T N -1.989 112.634 114.554 0.115 0.000 2.900 652 T HA 0.526 4.878 4.350 0.002 0.000 0.303 652 T C -0.603 174.179 174.700 0.137 0.000 1.142 652 T CA -0.873 61.315 62.100 0.147 0.000 1.007 652 T CB 1.813 70.769 68.868 0.147 0.000 1.156 652 T HN 0.027 nan 8.240 nan 0.000 0.490 653 I N 1.760 122.407 120.570 0.129 0.000 2.437 653 I HA 0.513 4.684 4.170 0.002 0.000 0.298 653 I C -0.521 175.684 176.117 0.146 0.000 0.984 653 I CA -1.214 60.096 61.300 0.018 0.000 1.214 653 I CB 1.577 39.472 38.000 -0.176 0.000 1.365 653 I HN 0.450 nan 8.210 nan 0.000 0.469 654 L N 5.793 127.092 121.223 0.126 0.000 2.362 654 L HA 0.524 4.865 4.340 0.002 0.000 0.271 654 L C -1.024 175.915 176.870 0.115 0.000 1.002 654 L CA -0.843 54.110 54.840 0.189 0.000 0.818 654 L CB 2.234 44.392 42.059 0.165 0.000 1.298 654 L HN 0.368 nan 8.230 nan 0.000 0.420 655 L N 4.081 125.429 121.223 0.209 0.000 2.316 655 L HA 0.550 4.892 4.340 0.002 0.000 0.280 655 L C -1.108 175.842 176.870 0.133 0.000 1.006 655 L CA -0.341 54.591 54.840 0.154 0.000 0.836 655 L CB 1.479 43.700 42.059 0.271 0.000 1.221 655 L HN 0.473 nan 8.230 nan 0.000 0.418 656 L N 4.815 126.097 121.223 0.098 0.000 2.296 656 L HA 0.613 4.954 4.340 0.002 0.000 0.286 656 L C -1.170 175.729 176.870 0.048 0.000 1.023 656 L CA 0.069 54.956 54.840 0.078 0.000 0.812 656 L CB 1.451 43.579 42.059 0.114 0.000 1.223 656 L HN 0.672 nan 8.230 nan 0.000 0.421 657 D N 2.130 122.524 120.400 -0.009 0.000 2.453 657 D HA 0.314 4.955 4.640 0.002 0.000 0.238 657 D C 0.441 176.657 176.300 -0.141 0.000 1.088 657 D CA 0.015 53.975 54.000 -0.066 0.000 0.854 657 D CB 1.446 42.230 40.800 -0.027 0.000 1.076 657 D HN 0.658 nan 8.370 nan 0.000 0.533 658 T N 1.141 115.498 114.554 -0.329 0.000 3.105 658 T HA 0.152 4.504 4.350 0.002 0.000 0.253 658 T C 1.250 175.866 174.700 -0.139 0.000 1.047 658 T CA -0.189 61.714 62.100 -0.329 0.000 0.944 658 T CB -0.480 67.934 68.868 -0.756 0.000 1.016 658 T HN 0.454 nan 8.240 nan 0.000 0.544 659 F N 0.373 120.120 119.950 -0.339 0.000 2.546 659 F HA -0.372 4.156 4.527 0.002 0.000 0.676 659 F C 0.485 176.006 175.800 -0.465 0.000 0.489 659 F CA 1.611 59.365 58.000 -0.409 0.000 0.816 659 F CB -1.535 37.133 39.000 -0.553 0.000 1.671 659 F HN 0.250 nan 8.300 nan 0.000 0.264 660 F N 0.430 120.341 119.950 -0.066 0.000 2.367 660 F HA 0.146 4.675 4.527 0.003 0.000 0.298 660 F C 0.831 176.641 175.800 0.016 0.000 1.094 660 F CA 1.411 59.416 58.000 0.008 0.000 1.409 660 F CB -0.092 38.967 39.000 0.097 0.000 1.064 660 F HN 0.062 nan 8.300 nan 0.000 0.528 661 F N -1.716 118.269 119.950 0.059 0.000 2.654 661 F HA 0.665 5.193 4.527 0.002 0.000 0.308 661 F C -1.426 174.337 175.800 -0.062 0.000 1.108 661 F CA -2.554 55.422 58.000 -0.040 0.000 0.957 661 F CB 0.581 39.499 39.000 -0.136 0.000 1.309 661 F HN -0.305 nan 8.300 nan 0.000 0.446 662 I N 3.586 124.317 120.570 0.268 0.000 2.404 662 I HA 0.573 4.745 4.170 0.002 0.000 0.293 662 I C -1.151 175.039 176.117 0.121 0.000 0.992 662 I CA -0.929 60.476 61.300 0.175 0.000 1.149 662 I CB 1.985 40.088 38.000 0.173 0.000 1.315 662 I HN 0.765 nan 8.210 nan 0.000 0.446 663 L N 7.408 128.696 121.223 0.108 0.000 2.386 663 L HA 0.656 4.997 4.340 0.002 0.000 0.271 663 L C -1.341 175.495 176.870 -0.056 0.000 0.993 663 L CA -0.482 54.333 54.840 -0.041 0.000 0.819 663 L CB 1.972 44.091 42.059 0.099 0.000 1.294 663 L HN 0.497 nan 8.230 nan 0.000 0.414 664 I N 4.310 124.782 120.570 -0.164 0.000 2.378 664 I HA 0.295 4.466 4.170 0.002 0.000 0.291 664 I C -1.468 174.593 176.117 -0.094 0.000 0.992 664 I CA -0.649 60.563 61.300 -0.147 0.000 1.154 664 I CB 1.689 39.576 38.000 -0.189 0.000 1.315 664 I HN 0.535 nan 8.210 nan 0.000 0.448 665 Y N 6.023 126.183 120.300 -0.233 0.000 2.331 665 Y HA 0.407 4.958 4.550 0.002 0.000 0.334 665 Y C -0.590 175.166 175.900 -0.240 0.000 0.960 665 Y CA -0.586 57.423 58.100 -0.153 0.000 1.130 665 Y CB 0.822 39.253 38.460 -0.049 0.000 1.164 665 Y HN 0.470 nan 8.280 nan 0.000 0.458 666 H N 4.937 123.687 119.070 -0.534 0.000 2.594 666 H HA 0.306 4.864 4.556 0.002 0.000 0.304 666 H C 0.522 175.447 175.328 -0.672 0.000 1.068 666 H CA -0.213 55.585 56.048 -0.417 0.000 1.308 666 H CB 1.161 30.770 29.762 -0.254 0.000 1.409 666 H HN 1.005 nan 8.280 nan 0.000 0.460 667 G N 2.312 110.952 108.800 -0.268 0.000 2.664 667 G HA2 -0.085 3.877 3.960 0.002 0.000 0.242 667 G HA3 -0.085 3.877 3.960 0.002 0.000 0.242 667 G C 0.958 175.752 174.900 -0.176 0.000 1.225 667 G CA -0.356 44.652 45.100 -0.153 0.000 0.849 667 G HN 0.697 nan 8.290 nan 0.000 0.581 668 E N -0.230 119.892 120.200 -0.131 0.000 2.045 668 E HA -0.340 4.011 4.350 0.002 0.000 0.212 668 E C 2.294 178.730 176.600 -0.274 0.000 1.039 668 E CA 1.908 58.209 56.400 -0.165 0.000 0.860 668 E CB -0.156 29.472 29.700 -0.120 0.000 0.776 668 E HN 0.708 nan 8.360 nan 0.000 0.467 669 Q N 0.441 120.020 119.800 -0.369 0.000 2.096 669 Q HA -0.184 4.157 4.340 0.002 0.000 0.204 669 Q C 2.267 177.708 176.000 -0.931 0.000 0.982 669 Q CA 1.296 56.656 55.803 -0.738 0.000 0.850 669 Q CB -0.080 28.158 28.738 -0.833 0.000 0.901 669 Q HN 0.335 nan 8.270 nan 0.000 0.422 670 I N 0.297 120.601 120.570 -0.443 0.000 2.286 670 I HA -0.264 3.907 4.170 0.002 0.000 0.248 670 I C 2.350 178.501 176.117 0.057 0.000 1.115 670 I CA 0.908 62.217 61.300 0.015 0.000 1.392 670 I CB -0.428 37.686 38.000 0.190 0.000 1.065 670 I HN 0.272 nan 8.210 nan 0.000 0.418 671 A N 0.086 122.843 122.820 -0.105 0.000 1.930 671 A HA -0.230 4.092 4.320 0.002 0.000 0.217 671 A C 2.259 179.767 177.584 -0.128 0.000 1.175 671 A CA 1.325 53.293 52.037 -0.116 0.000 0.627 671 A CB -0.530 18.380 19.000 -0.151 0.000 0.815 671 A HN 0.413 nan 8.150 nan 0.000 0.443 672 Q N -1.157 118.491 119.800 -0.254 0.000 2.002 672 Q HA -0.217 4.125 4.340 0.002 0.000 0.204 672 Q C 1.976 177.867 176.000 -0.181 0.000 0.988 672 Q CA 1.835 57.477 55.803 -0.268 0.000 0.843 672 Q CB -0.245 28.227 28.738 -0.444 0.000 0.908 672 Q HN 0.894 nan 8.270 nan 0.000 0.420 673 W N 0.493 121.609 121.300 -0.307 0.000 2.392 673 W HA -0.094 4.567 4.660 0.002 0.000 0.279 673 W C 2.151 178.547 176.519 -0.205 0.000 1.225 673 W CA 0.695 57.676 57.345 -0.606 0.000 1.233 673 W CB -0.665 28.010 29.460 -1.309 0.000 1.122 673 W HN 0.280 nan 8.180 nan 0.000 0.561 674 R N 1.186 121.851 120.500 0.274 0.000 2.062 674 R HA -0.132 4.209 4.340 0.002 0.000 0.229 674 R C 2.266 178.643 176.300 0.128 0.000 1.128 674 R CA 1.577 57.842 56.100 0.275 0.000 0.960 674 R CB -0.432 29.933 30.300 0.109 0.000 0.855 674 R HN -0.011 nan 8.270 nan 0.000 0.432 675 K N -0.103 120.330 120.400 0.055 0.000 2.148 675 K HA -0.078 4.243 4.320 0.002 0.000 0.204 675 K C 1.854 178.498 176.600 0.073 0.000 1.050 675 K CA 1.159 57.467 56.287 0.035 0.000 0.942 675 K CB -0.051 32.447 32.500 -0.003 0.000 0.724 675 K HN 0.227 nan 8.250 nan 0.000 0.446 676 A N 0.190 123.074 122.820 0.107 0.000 1.858 676 A HA -0.015 4.306 4.320 0.002 0.000 0.216 676 A C 1.769 179.469 177.584 0.192 0.000 1.190 676 A CA 2.136 54.277 52.037 0.174 0.000 0.617 676 A CB -0.640 18.532 19.000 0.288 0.000 0.827 676 A HN 0.570 nan 8.150 nan 0.000 0.443 677 G N -4.083 104.859 108.800 0.237 0.000 2.318 677 G HA2 -0.191 3.771 3.960 0.002 0.000 0.172 677 G HA3 -0.191 3.771 3.960 0.002 0.000 0.172 677 G C 0.685 175.722 174.900 0.228 0.000 1.002 677 G CA 0.506 45.723 45.100 0.194 0.000 0.697 677 G HN 0.280 nan 8.290 nan 0.000 0.483 678 Y N 1.708 121.971 120.300 -0.062 0.000 2.264 678 Y HA -0.282 4.269 4.550 0.002 0.000 0.282 678 Y C 2.874 178.821 175.900 0.079 0.000 1.204 678 Y CA 2.385 60.368 58.100 -0.195 0.000 1.228 678 Y CB -0.422 37.535 38.460 -0.838 0.000 0.971 678 Y HN 0.551 nan 8.280 nan 0.000 0.538 679 Q N -0.632 119.404 119.800 0.393 0.000 2.297 679 Q HA -0.098 4.243 4.340 0.002 0.000 0.204 679 Q C 1.318 177.456 176.000 0.231 0.000 0.962 679 Q CA 1.410 57.443 55.803 0.384 0.000 0.879 679 Q CB -0.192 28.744 28.738 0.331 0.000 0.947 679 Q HN 0.427 nan 8.270 nan 0.000 0.462 680 D N 1.018 121.527 120.400 0.182 0.000 2.363 680 D HA -0.046 4.596 4.640 0.002 0.000 0.220 680 D C -0.294 176.064 176.300 0.097 0.000 0.994 680 D CA 0.792 54.863 54.000 0.117 0.000 0.890 680 D CB -0.029 40.825 40.800 0.089 0.000 0.906 680 D HN 0.544 nan 8.370 nan 0.000 0.530 681 D N -0.793 119.682 120.400 0.126 0.000 2.490 681 D HA 0.305 4.946 4.640 0.002 0.000 0.232 681 D C -2.664 173.676 176.300 0.067 0.000 1.053 681 D CA -1.949 52.095 54.000 0.073 0.000 0.914 681 D CB 1.933 42.755 40.800 0.037 0.000 1.431 681 D HN -0.270 nan 8.370 nan 0.000 0.483 682 P HA -0.062 nan 4.420 nan 0.000 0.271 682 P C 0.339 177.552 177.300 -0.144 0.000 1.238 682 P CA 0.229 63.304 63.100 -0.041 0.000 0.794 682 P CB 0.982 32.650 31.700 -0.053 0.000 0.959 683 Q N -0.448 119.277 119.800 -0.125 0.000 3.595 683 Q HA -0.250 4.091 4.340 0.002 0.000 0.208 683 Q C -0.437 175.493 176.000 -0.116 0.000 2.563 683 Q CA 1.285 56.965 55.803 -0.206 0.000 0.537 683 Q CB -1.921 26.559 28.738 -0.429 0.000 0.475 683 Q HN 0.634 nan 8.270 nan 0.000 0.677 684 Y N -0.124 120.188 120.300 0.020 0.000 2.767 684 Y HA 0.509 5.060 4.550 0.002 0.000 0.354 684 Y C 0.996 176.963 175.900 0.110 0.000 1.292 684 Y CA -0.297 57.845 58.100 0.070 0.000 1.749 684 Y CB 0.469 38.974 38.460 0.074 0.000 1.841 684 Y HN 0.354 nan 8.280 nan 0.000 0.454 685 A N -0.222 122.725 122.820 0.212 0.000 2.192 685 A HA 0.045 4.366 4.320 0.002 0.000 0.208 685 A C 1.292 178.962 177.584 0.144 0.000 1.220 685 A CA 0.217 52.342 52.037 0.147 0.000 0.900 685 A CB 0.111 19.161 19.000 0.084 0.000 0.937 685 A HN 0.513 nan 8.150 nan 0.000 0.487 686 D N -0.686 119.817 120.400 0.172 0.000 2.149 686 D HA -0.065 4.576 4.640 0.002 0.000 0.201 686 D C 1.418 177.827 176.300 0.182 0.000 0.972 686 D CA 1.154 55.246 54.000 0.153 0.000 0.835 686 D CB -0.190 40.700 40.800 0.150 0.000 0.966 686 D HN 0.440 nan 8.370 nan 0.000 0.476 687 F N 1.424 121.422 119.950 0.079 0.000 2.187 687 F HA 0.042 4.570 4.527 0.002 0.000 0.295 687 F C 2.003 177.853 175.800 0.084 0.000 1.091 687 F CA 1.007 59.041 58.000 0.058 0.000 1.308 687 F CB 0.033 39.015 39.000 -0.029 0.000 1.030 687 F HN -0.276 nan 8.300 nan 0.000 0.487 688 K N 0.441 120.909 120.400 0.114 0.000 2.097 688 K HA -0.167 4.154 4.320 0.002 0.000 0.206 688 K C 2.133 178.704 176.600 -0.049 0.000 1.049 688 K CA 1.232 57.527 56.287 0.014 0.000 0.933 688 K CB -0.372 32.193 32.500 0.109 0.000 0.717 688 K HN 0.335 nan 8.250 nan 0.000 0.442 689 A N 1.609 124.429 122.820 -0.000 0.000 1.855 689 A HA -0.157 4.165 4.320 0.002 0.000 0.215 689 A C 2.044 179.611 177.584 -0.029 0.000 1.191 689 A CA 1.339 53.379 52.037 0.005 0.000 0.613 689 A CB -0.787 18.239 19.000 0.044 0.000 0.829 689 A HN 0.388 nan 8.150 nan 0.000 0.442 690 L N 0.096 121.293 121.223 -0.044 0.000 2.034 690 L HA -0.232 4.110 4.340 0.002 0.000 0.217 690 L C 2.266 179.056 176.870 -0.133 0.000 1.077 690 L CA 2.105 56.914 54.840 -0.050 0.000 0.769 690 L CB -0.699 41.323 42.059 -0.062 0.000 0.890 690 L HN 0.433 nan 8.230 nan 0.000 0.435 691 L N -0.941 120.140 121.223 -0.235 0.000 2.131 691 L HA -0.140 4.201 4.340 0.002 0.000 0.210 691 L C 2.381 179.192 176.870 -0.099 0.000 1.092 691 L CA 0.978 55.712 54.840 -0.176 0.000 0.759 691 L CB -0.578 41.333 42.059 -0.247 0.000 0.903 691 L HN 0.316 nan 8.230 nan 0.000 0.435 692 E N -0.623 119.526 120.200 -0.085 0.000 2.400 692 E HA -0.120 4.231 4.350 0.002 0.000 0.195 692 E C 1.819 178.379 176.600 -0.065 0.000 1.012 692 E CA 0.273 56.640 56.400 -0.055 0.000 0.875 692 E CB 0.241 29.925 29.700 -0.027 0.000 0.859 692 E HN 0.304 nan 8.360 nan 0.000 0.498 693 E N 1.541 121.697 120.200 -0.072 0.000 2.023 693 E HA -0.119 4.232 4.350 0.002 0.000 0.196 693 E C -0.818 175.680 176.600 -0.170 0.000 1.003 693 E CA 1.739 58.126 56.400 -0.021 0.000 0.809 693 E CB -1.030 28.750 29.700 0.132 0.000 0.755 693 E HN 0.131 nan 8.360 nan 0.000 0.449 694 P HA -0.215 nan 4.420 nan 0.000 0.215 694 P C 1.054 178.220 177.300 -0.223 0.000 1.157 694 P CA 1.805 64.425 63.100 -0.800 0.000 0.874 694 P CB -0.120 30.979 31.700 -1.002 0.000 0.790 695 K N -1.033 119.294 120.400 -0.121 0.000 2.442 695 K HA -0.103 4.219 4.320 0.002 0.000 0.198 695 K C 1.950 178.538 176.600 -0.020 0.000 1.044 695 K CA 0.447 56.735 56.287 0.001 0.000 0.948 695 K CB -0.361 32.151 32.500 0.020 0.000 0.762 695 K HN -0.001 nan 8.250 nan 0.000 0.472 696 L N 0.706 121.918 121.223 -0.019 0.000 2.253 696 L HA 0.038 4.380 4.340 0.002 0.000 0.205 696 L C 1.958 178.849 176.870 0.035 0.000 1.078 696 L CA 1.426 56.269 54.840 0.005 0.000 0.805 696 L CB -0.057 42.013 42.059 0.018 0.000 0.963 696 L HN 0.126 nan 8.230 nan 0.000 0.459 697 E N -0.592 119.654 120.200 0.077 0.000 2.208 697 E HA -0.137 4.215 4.350 0.002 0.000 0.193 697 E C 1.998 178.648 176.600 0.083 0.000 0.988 697 E CA 0.801 57.270 56.400 0.116 0.000 0.828 697 E CB 0.185 30.032 29.700 0.245 0.000 0.763 697 E HN 0.529 nan 8.360 nan 0.000 0.478 698 A N 1.107 123.971 122.820 0.073 0.000 1.930 698 A HA -0.072 4.250 4.320 0.002 0.000 0.217 698 A C 2.323 179.923 177.584 0.026 0.000 1.175 698 A CA 1.538 53.623 52.037 0.081 0.000 0.627 698 A CB -0.434 18.661 19.000 0.157 0.000 0.815 698 A HN 0.331 nan 8.150 nan 0.000 0.443 699 A N -0.575 122.242 122.820 -0.005 0.000 1.969 699 A HA -0.067 4.254 4.320 0.002 0.000 0.218 699 A C 1.861 179.434 177.584 -0.019 0.000 1.169 699 A CA 1.822 53.839 52.037 -0.034 0.000 0.635 699 A CB -0.342 18.631 19.000 -0.045 0.000 0.810 699 A HN 0.425 nan 8.150 nan 0.000 0.445 700 E N -0.173 120.027 120.200 0.001 0.000 2.274 700 E HA 0.015 4.366 4.350 0.002 0.000 0.194 700 E C 1.718 178.314 176.600 -0.007 0.000 0.996 700 E CA 0.425 56.825 56.400 0.002 0.000 0.840 700 E CB -0.257 29.453 29.700 0.017 0.000 0.772 700 E HN 0.665 nan 8.360 nan 0.000 0.491 701 L N -0.353 120.864 121.223 -0.009 0.000 2.240 701 L HA -0.047 4.295 4.340 0.002 0.000 0.211 701 L C 1.841 178.673 176.870 -0.064 0.000 1.106 701 L CA 0.479 55.302 54.840 -0.028 0.000 0.793 701 L CB -0.241 41.803 42.059 -0.024 0.000 0.927 701 L HN 0.175 nan 8.230 nan 0.000 0.446 702 L N -1.607 119.579 121.223 -0.061 0.000 2.156 702 L HA -0.110 4.232 4.340 0.002 0.000 0.208 702 L C 2.479 179.309 176.870 -0.067 0.000 1.095 702 L CA 0.170 54.963 54.840 -0.079 0.000 0.770 702 L CB -0.754 41.267 42.059 -0.062 0.000 0.914 702 L HN -0.035 nan 8.230 nan 0.000 0.439 703 V N 0.371 120.257 119.914 -0.046 0.000 2.310 703 V HA -0.499 3.623 4.120 0.002 0.000 0.254 703 V C 1.629 177.695 176.094 -0.046 0.000 1.078 703 V CA 2.566 64.845 62.300 -0.035 0.000 1.104 703 V CB -0.450 31.360 31.823 -0.022 0.000 0.786 703 V HN 0.596 nan 8.190 nan 0.000 0.469 704 D N -2.194 118.162 120.400 -0.073 0.000 2.500 704 D HA 0.136 4.778 4.640 0.002 0.000 0.217 704 D C 0.983 177.159 176.300 -0.207 0.000 1.159 704 D CA -0.278 53.640 54.000 -0.136 0.000 0.828 704 D CB 0.265 40.992 40.800 -0.121 0.000 1.039 704 D HN 0.392 nan 8.370 nan 0.000 0.512 705 R N 1.070 121.483 120.500 -0.144 0.000 2.504 705 R HA 0.042 4.384 4.340 0.002 0.000 0.291 705 R C -1.078 175.175 176.300 -0.078 0.000 0.974 705 R CA 0.460 56.464 56.100 -0.159 0.000 1.077 705 R CB 0.033 30.169 30.300 -0.273 0.000 0.926 705 R HN -0.172 nan 8.270 nan 0.000 0.407 706 F N 7.589 127.425 119.950 -0.191 0.000 2.573 706 F HA 0.499 5.027 4.527 0.002 0.000 0.316 706 F C -2.224 173.597 175.800 0.036 0.000 1.148 706 F CA -2.365 55.575 58.000 -0.100 0.000 0.940 706 F CB 1.610 40.520 39.000 -0.150 0.000 1.214 706 F HN 0.531 nan 8.300 nan 0.000 0.448 707 P HA 0.254 nan 4.420 nan 0.000 0.286 707 P C -1.016 176.103 177.300 -0.303 0.000 1.293 707 P CA -0.352 62.272 63.100 -0.793 0.000 0.770 707 P CB 1.297 32.718 31.700 -0.465 0.000 1.206 708 L N 1.098 122.236 121.223 -0.142 0.000 2.350 708 L HA 0.382 4.723 4.340 0.002 0.000 0.275 708 L C -1.714 175.119 176.870 -0.062 0.000 1.099 708 L CA -1.606 53.178 54.840 -0.092 0.000 0.808 708 L CB 0.479 42.534 42.059 -0.007 0.000 1.149 708 L HN 0.349 nan 8.230 nan 0.000 0.442 709 P HA 0.226 nan 4.420 nan 0.000 0.279 709 P C -0.980 176.379 177.300 0.099 0.000 1.252 709 P CA -0.741 62.355 63.100 -0.006 0.000 0.811 709 P CB 0.888 32.531 31.700 -0.095 0.000 1.035 710 R N 0.837 121.430 120.500 0.155 0.000 2.641 710 R HA 0.307 4.648 4.340 0.002 0.000 0.269 710 R C -0.218 176.180 176.300 0.165 0.000 1.074 710 R CA -0.050 56.124 56.100 0.124 0.000 1.133 710 R CB 0.045 30.372 30.300 0.044 0.000 1.029 710 R HN 0.514 nan 8.270 nan 0.000 0.488 711 F N 2.642 122.583 119.950 -0.015 0.000 2.458 711 F HA 0.479 5.007 4.527 0.002 0.000 0.336 711 F C -0.686 175.083 175.800 -0.052 0.000 1.114 711 F CA -0.934 57.059 58.000 -0.012 0.000 0.987 711 F CB 0.890 39.887 39.000 -0.004 0.000 1.130 711 F HN 0.279 nan 8.300 nan 0.000 0.458 712 I N 5.709 125.770 120.570 -0.847 0.000 2.447 712 I HA 0.271 4.442 4.170 0.002 0.000 0.287 712 I C -1.242 174.451 176.117 -0.707 0.000 1.023 712 I CA -0.700 60.216 61.300 -0.639 0.000 1.083 712 I CB 1.758 39.470 38.000 -0.481 0.000 1.245 712 I HN 0.457 nan 8.210 nan 0.000 0.434 713 D N 4.872 125.017 120.400 -0.424 0.000 2.381 713 D HA 0.448 5.090 4.640 0.002 0.000 0.235 713 D C -0.825 175.456 176.300 -0.031 0.000 1.068 713 D CA 0.188 54.077 54.000 -0.186 0.000 0.832 713 D CB 2.018 42.813 40.800 -0.008 0.000 1.101 713 D HN 0.565 nan 8.370 nan 0.000 0.515 714 T N 1.615 116.191 114.554 0.038 0.000 2.681 714 T HA 0.554 4.905 4.350 0.002 0.000 0.296 714 T C -1.555 173.174 174.700 0.047 0.000 1.157 714 T CA -0.532 61.606 62.100 0.062 0.000 1.025 714 T CB 1.587 70.508 68.868 0.089 0.000 1.441 714 T HN 0.543 nan 8.240 nan 0.000 0.504 715 E N 0.241 120.410 120.200 -0.053 0.000 2.458 715 E HA 0.666 5.017 4.350 0.002 0.000 0.278 715 E C -0.936 175.507 176.600 -0.261 0.000 1.004 715 E CA -1.379 54.835 56.400 -0.310 0.000 0.823 715 E CB 1.336 30.930 29.700 -0.177 0.000 1.396 715 E HN 0.787 nan 8.360 nan 0.000 0.463 716 A N 0.338 122.913 122.820 -0.409 0.000 2.553 716 A HA 0.392 4.714 4.320 0.002 0.000 0.258 716 A C 1.243 178.843 177.584 0.027 0.000 1.069 716 A CA 1.179 53.219 52.037 0.005 0.000 0.767 716 A CB -1.373 17.628 19.000 0.002 0.000 0.997 716 A HN 1.383 nan 8.150 nan 0.000 0.512 717 G N 2.023 110.877 108.800 0.090 0.000 2.258 717 G HA2 -0.019 3.943 3.960 0.002 0.000 0.233 717 G HA3 -0.019 3.943 3.960 0.002 0.000 0.233 717 G C 1.034 175.951 174.900 0.029 0.000 1.006 717 G CA 0.272 45.396 45.100 0.039 0.000 0.620 717 G HN 2.025 nan 8.290 nan 0.000 0.511 718 G N 0.279 109.101 108.800 0.035 0.000 2.559 718 G HA2 0.438 4.399 3.960 0.002 0.000 0.235 718 G HA3 0.438 4.399 3.960 0.002 0.000 0.235 718 G C 1.181 176.098 174.900 0.029 0.000 1.266 718 G CA 1.116 46.232 45.100 0.026 0.000 0.847 718 G HN 1.054 nan 8.290 nan 0.000 0.583 719 S N 0.120 115.826 115.700 0.011 0.000 2.356 719 S HA -0.141 4.330 4.470 0.002 0.000 0.223 719 S C 2.131 176.720 174.600 -0.018 0.000 1.032 719 S CA 1.650 59.844 58.200 -0.010 0.000 1.005 719 S CB -0.213 62.981 63.200 -0.011 0.000 0.867 719 S HN 0.573 nan 8.310 nan 0.000 0.449 720 Q N 0.617 120.435 119.800 0.031 0.000 2.515 720 Q HA 0.214 4.555 4.340 0.002 0.000 0.212 720 Q C 1.985 178.059 176.000 0.123 0.000 0.970 720 Q CA 0.751 56.613 55.803 0.098 0.000 0.941 720 Q CB -0.683 28.150 28.738 0.158 0.000 0.998 720 Q HN 0.672 nan 8.270 nan 0.000 0.518 721 A N 0.658 123.533 122.820 0.091 0.000 2.172 721 A HA -0.127 4.195 4.320 0.002 0.000 0.216 721 A C 2.014 179.621 177.584 0.039 0.000 1.154 721 A CA 0.522 52.642 52.037 0.138 0.000 0.701 721 A CB -0.236 18.899 19.000 0.225 0.000 0.789 721 A HN 0.228 nan 8.150 nan 0.000 0.465 722 R N -1.564 118.897 120.500 -0.064 0.000 2.193 722 R HA -0.072 4.269 4.340 0.002 0.000 0.229 722 R C 1.320 177.529 176.300 -0.151 0.000 1.110 722 R CA 1.306 57.317 56.100 -0.149 0.000 0.988 722 R CB -0.411 29.736 30.300 -0.255 0.000 0.871 722 R HN 0.630 nan 8.270 nan 0.000 0.458 723 F N -0.039 119.867 119.950 -0.073 0.000 2.293 723 F HA -0.186 4.342 4.527 0.002 0.000 0.300 723 F C 2.041 177.884 175.800 0.071 0.000 1.086 723 F CA 0.566 58.517 58.000 -0.081 0.000 1.375 723 F CB 0.005 38.765 39.000 -0.400 0.000 1.045 723 F HN 0.062 nan 8.300 nan 0.000 0.516 724 L N -0.169 121.166 121.223 0.186 0.000 2.116 724 L HA 0.011 4.353 4.340 0.002 0.000 0.200 724 L C 2.012 178.905 176.870 0.038 0.000 1.084 724 L CA 1.408 56.312 54.840 0.107 0.000 0.766 724 L CB -0.970 41.070 42.059 -0.031 0.000 0.930 724 L HN 0.009 nan 8.230 nan 0.000 0.453 725 L N 0.287 121.497 121.223 -0.023 0.000 2.064 725 L HA -0.309 4.033 4.340 0.002 0.000 0.216 725 L C 2.649 179.518 176.870 -0.002 0.000 1.077 725 L CA 1.987 56.807 54.840 -0.034 0.000 0.766 725 L CB -1.187 40.843 42.059 -0.050 0.000 0.890 725 L HN 0.616 nan 8.230 nan 0.000 0.435 726 S N -1.188 114.517 115.700 0.008 0.000 2.453 726 S HA -0.079 4.392 4.470 0.002 0.000 0.231 726 S C 1.776 176.407 174.600 0.052 0.000 1.005 726 S CA 0.456 58.666 58.200 0.015 0.000 0.949 726 S CB -0.095 63.106 63.200 0.002 0.000 0.774 726 S HN 0.331 nan 8.310 nan 0.000 0.510 727 K N 1.124 121.579 120.400 0.092 0.000 2.314 727 K HA 0.342 4.664 4.320 0.002 0.000 0.198 727 K C 0.779 177.475 176.600 0.159 0.000 1.045 727 K CA 0.014 56.372 56.287 0.120 0.000 0.988 727 K CB -0.493 32.084 32.500 0.129 0.000 0.783 727 K HN 0.452 nan 8.250 nan 0.000 0.484 728 L N 1.916 123.209 121.223 0.117 0.000 2.453 728 L HA 0.091 4.433 4.340 0.002 0.000 0.261 728 L C 0.573 177.543 176.870 0.167 0.000 1.179 728 L CA -0.672 54.252 54.840 0.139 0.000 0.813 728 L CB 0.038 42.132 42.059 0.058 0.000 1.110 728 L HN 0.018 nan 8.230 nan 0.000 0.466 729 N N 2.896 121.713 118.700 0.194 0.000 2.414 729 N HA 0.175 4.916 4.740 0.002 0.000 0.256 729 N C -2.289 173.265 175.510 0.073 0.000 1.029 729 N CA -1.933 51.204 53.050 0.146 0.000 0.948 729 N CB 0.979 39.520 38.487 0.090 0.000 1.102 729 N HN 0.216 nan 8.380 nan 0.000 0.496 730 P HA 0.028 nan 4.420 nan 0.000 0.235 730 P C 0.376 177.694 177.300 0.031 0.000 1.765 730 P CA -0.075 63.054 63.100 0.048 0.000 1.034 730 P CB -0.428 31.308 31.700 0.061 0.000 1.984 731 S N -0.118 115.589 115.700 0.013 0.000 2.392 731 S HA -0.160 4.311 4.470 0.002 0.000 0.232 731 S C 0.705 175.306 174.600 0.002 0.000 1.041 731 S CA 0.987 59.182 58.200 -0.007 0.000 1.026 731 S CB -0.703 62.491 63.200 -0.009 0.000 0.845 731 S HN 0.248 nan 8.310 nan 0.000 0.465 732 D N 2.401 122.812 120.400 0.019 0.000 2.233 732 D HA 0.323 4.964 4.640 0.002 0.000 0.240 732 D C -0.713 175.616 176.300 0.050 0.000 1.074 732 D CA -0.341 53.674 54.000 0.024 0.000 0.838 732 D CB 0.856 41.672 40.800 0.028 0.000 1.124 732 D HN 0.218 nan 8.370 nan 0.000 0.475 733 N N 1.798 120.518 118.700 0.034 0.000 2.514 733 N HA -0.050 4.691 4.740 0.002 0.000 0.277 733 N C 0.850 176.392 175.510 0.052 0.000 1.126 733 N CA -0.258 52.821 53.050 0.050 0.000 0.978 733 N CB 0.759 39.229 38.487 -0.028 0.000 1.106 733 N HN 0.448 nan 8.380 nan 0.000 0.461 734 Y N 2.043 122.339 120.300 -0.006 0.000 2.569 734 Y HA -0.039 4.512 4.550 0.002 0.000 0.293 734 Y C 1.501 177.398 175.900 -0.006 0.000 1.144 734 Y CA 0.745 58.842 58.100 -0.006 0.000 1.321 734 Y CB 0.027 38.482 38.460 -0.007 0.000 0.982 734 Y HN 0.559 nan 8.280 nan 0.000 0.558 735 Q N 0.321 119.820 119.800 -0.503 0.000 2.324 735 Q HA 0.015 4.356 4.340 0.002 0.000 0.207 735 Q C 0.045 175.935 176.000 -0.184 0.000 0.928 735 Q CA 0.107 55.660 55.803 -0.418 0.000 0.890 735 Q CB 0.298 28.717 28.738 -0.531 0.000 1.001 735 Q HN 0.422 nan 8.270 nan 0.000 0.517 736 D N 0.511 120.830 120.400 -0.136 0.000 2.423 736 D HA -0.057 4.585 4.640 0.002 0.000 0.238 736 D C 1.033 177.304 176.300 -0.047 0.000 1.142 736 D CA 0.404 54.358 54.000 -0.075 0.000 0.884 736 D CB 0.807 41.575 40.800 -0.053 0.000 1.199 736 D HN 0.056 nan 8.370 nan 0.000 0.438 737 M N 0.771 120.350 119.600 -0.036 0.000 2.193 737 M HA -0.007 4.474 4.480 0.002 0.000 0.265 737 M C 0.889 177.181 176.300 -0.013 0.000 1.071 737 M CA 0.528 55.816 55.300 -0.021 0.000 1.140 737 M CB -0.899 31.690 32.600 -0.018 0.000 1.369 737 M HN 0.348 nan 8.290 nan 0.000 0.423 738 A N 2.136 124.947 122.820 -0.015 0.000 2.524 738 A HA 0.235 4.557 4.320 0.002 0.000 0.250 738 A C 0.065 177.646 177.584 -0.005 0.000 1.078 738 A CA 0.242 52.273 52.037 -0.009 0.000 0.761 738 A CB -0.163 18.830 19.000 -0.012 0.000 1.012 738 A HN 0.440 nan 8.150 nan 0.000 0.500 739 R N 1.648 122.148 120.500 0.001 0.000 2.599 739 R HA 0.498 4.840 4.340 0.002 0.000 0.295 739 R C 0.977 177.281 176.300 0.006 0.000 0.963 739 R CA 0.006 56.110 56.100 0.006 0.000 0.883 739 R CB 2.088 32.395 30.300 0.011 0.000 1.171 739 R HN 0.759 nan 8.270 nan 0.000 0.450 740 G N 0.652 109.456 108.800 0.007 0.000 3.044 740 G HA2 0.296 4.257 3.960 0.002 0.000 0.223 740 G HA3 0.296 4.257 3.960 0.002 0.000 0.223 740 G C 0.269 175.176 174.900 0.011 0.000 1.123 740 G CA 0.278 45.382 45.100 0.007 0.000 0.765 740 G HN 0.679 nan 8.290 nan 0.000 0.546 741 G N -0.617 108.191 108.800 0.014 0.000 2.749 741 G HA2 0.430 4.391 3.960 0.002 0.000 0.300 741 G HA3 0.430 4.391 3.960 0.002 0.000 0.300 741 G C 0.573 175.484 174.900 0.020 0.000 1.352 741 G CA 0.663 45.773 45.100 0.017 0.000 0.789 741 G HN 0.415 nan 8.290 nan 0.000 0.509 742 S N -1.903 113.811 115.700 0.023 0.000 2.502 742 S HA 0.244 4.716 4.470 0.002 0.000 0.215 742 S C 0.634 175.250 174.600 0.027 0.000 1.009 742 S CA 0.419 58.633 58.200 0.024 0.000 0.908 742 S CB 0.449 63.664 63.200 0.024 0.000 0.801 742 S HN 0.452 nan 8.310 nan 0.000 0.505 743 T N 2.990 117.559 114.554 0.026 0.000 2.756 743 T HA 0.574 4.926 4.350 0.002 0.000 0.290 743 T C -0.672 174.039 174.700 0.019 0.000 0.985 743 T CA -0.352 61.761 62.100 0.022 0.000 0.955 743 T CB 0.785 69.659 68.868 0.011 0.000 0.930 743 T HN 0.257 nan 8.240 nan 0.000 0.451 744 I N 3.852 124.437 120.570 0.025 0.000 2.355 744 I HA 0.298 4.469 4.170 0.002 0.000 0.288 744 I C 0.006 176.135 176.117 0.020 0.000 0.999 744 I CA -1.030 60.292 61.300 0.038 0.000 1.163 744 I CB 1.701 39.741 38.000 0.067 0.000 1.316 744 I HN 0.267 nan 8.210 nan 0.000 0.454 745 V N 7.616 127.538 119.914 0.014 0.000 2.479 745 V HA 0.029 4.150 4.120 0.002 0.000 0.281 745 V C 0.566 176.629 176.094 -0.051 0.000 1.031 745 V CA -0.194 62.096 62.300 -0.017 0.000 1.038 745 V CB 0.677 32.497 31.823 -0.005 0.000 0.981 745 V HN 0.490 nan 8.190 nan 0.000 0.478 746 L N 5.926 127.066 121.223 -0.138 0.000 2.448 746 L HA 0.364 4.705 4.340 0.002 0.000 0.278 746 L C 0.438 177.091 176.870 -0.362 0.000 1.201 746 L CA 0.664 55.293 54.840 -0.352 0.000 1.036 746 L CB 0.015 41.880 42.059 -0.324 0.000 1.325 746 L HN 0.840 nan 8.230 nan 0.000 0.441 747 T N -0.881 113.496 114.554 -0.295 0.000 2.853 747 T HA 0.233 4.584 4.350 0.002 0.000 0.311 747 T C -0.283 174.449 174.700 0.053 0.000 1.307 747 T CA -0.605 61.412 62.100 -0.137 0.000 1.019 747 T CB 1.614 70.446 68.868 -0.059 0.000 1.264 747 T HN 0.361 nan 8.240 nan 0.000 0.497 748 D N 1.429 121.870 120.400 0.067 0.000 2.363 748 D HA 0.192 4.833 4.640 0.002 0.000 0.214 748 D C -0.314 176.029 176.300 0.071 0.000 1.093 748 D CA -0.031 54.051 54.000 0.137 0.000 0.837 748 D CB 0.349 41.213 40.800 0.106 0.000 0.948 748 D HN 0.513 nan 8.370 nan 0.000 0.507 749 D N 0.413 120.835 120.400 0.037 0.000 2.443 749 D HA -0.018 4.624 4.640 0.002 0.000 0.239 749 D C 0.055 176.392 176.300 0.062 0.000 1.136 749 D CA 0.065 54.077 54.000 0.019 0.000 0.879 749 D CB 1.449 42.240 40.800 -0.015 0.000 1.195 749 D HN -0.213 nan 8.370 nan 0.000 0.443 750 V N 2.658 122.619 119.914 0.078 0.000 2.655 750 V HA 0.137 4.258 4.120 0.002 0.000 0.300 750 V C 0.206 176.410 176.094 0.184 0.000 1.044 750 V CA -0.072 62.309 62.300 0.134 0.000 1.095 750 V CB 0.740 32.682 31.823 0.198 0.000 0.952 750 V HN 0.719 nan 8.190 nan 0.000 0.485 751 S N 6.278 122.040 115.700 0.103 0.000 2.617 751 S HA 0.212 4.684 4.470 0.002 0.000 0.269 751 S C 0.831 175.343 174.600 -0.147 0.000 1.292 751 S CA -0.143 58.066 58.200 0.016 0.000 1.010 751 S CB 1.316 64.498 63.200 -0.030 0.000 0.944 751 S HN 0.908 nan 8.310 nan 0.000 0.536 752 L N 1.092 121.966 121.223 -0.582 0.000 2.079 752 L HA -0.086 4.256 4.340 0.002 0.000 0.210 752 L C 2.373 179.060 176.870 -0.305 0.000 1.081 752 L CA 1.952 56.242 54.840 -0.916 0.000 0.752 752 L CB -1.387 40.099 42.059 -0.955 0.000 0.896 752 L HN 0.798 nan 8.230 nan 0.000 0.433 753 Q N -0.035 119.640 119.800 -0.207 0.000 2.002 753 Q HA -0.168 4.173 4.340 0.002 0.000 0.204 753 Q C 2.140 178.052 176.000 -0.146 0.000 0.988 753 Q CA 2.038 57.758 55.803 -0.137 0.000 0.843 753 Q CB -0.620 28.055 28.738 -0.105 0.000 0.908 753 Q HN 0.526 nan 8.270 nan 0.000 0.420 754 N N -0.182 118.432 118.700 -0.143 0.000 2.069 754 N HA -0.164 4.578 4.740 0.002 0.000 0.191 754 N C 1.497 176.817 175.510 -0.316 0.000 1.031 754 N CA 1.001 53.897 53.050 -0.257 0.000 0.852 754 N CB -0.567 37.822 38.487 -0.164 0.000 1.018 754 N HN 0.194 nan 8.380 nan 0.000 0.423 755 F N 1.814 121.633 119.950 -0.218 0.000 2.065 755 F HA -0.208 4.320 4.527 0.002 0.000 0.298 755 F C 2.224 177.936 175.800 -0.146 0.000 1.112 755 F CA 1.459 59.403 58.000 -0.093 0.000 1.212 755 F CB -0.197 38.823 39.000 0.034 0.000 0.975 755 F HN -0.081 nan 8.300 nan 0.000 0.476 756 M N -0.038 119.485 119.600 -0.129 0.000 2.149 756 M HA -0.180 4.301 4.480 0.002 0.000 0.261 756 M C 2.108 178.213 176.300 -0.325 0.000 1.064 756 M CA 2.003 57.162 55.300 -0.234 0.000 1.102 756 M CB -1.924 30.608 32.600 -0.114 0.000 1.369 756 M HN 0.156 nan 8.290 nan 0.000 0.408 757 T N -0.574 113.797 114.554 -0.305 0.000 2.622 757 T HA -0.185 4.167 4.350 0.002 0.000 0.266 757 T C 1.724 176.270 174.700 -0.256 0.000 1.047 757 T CA 1.791 63.718 62.100 -0.288 0.000 1.159 757 T CB -0.685 68.005 68.868 -0.296 0.000 0.863 757 T HN 0.526 nan 8.240 nan 0.000 0.422 758 H N 0.410 119.348 119.070 -0.220 0.000 2.353 758 H HA -0.061 4.497 4.556 0.002 0.000 0.298 758 H C 2.313 177.450 175.328 -0.318 0.000 1.103 758 H CA 1.119 57.030 56.048 -0.228 0.000 1.293 758 H CB -0.236 29.411 29.762 -0.192 0.000 1.372 758 H HN 0.093 nan 8.280 nan 0.000 0.501 759 L N 1.294 122.314 121.223 -0.338 0.000 2.012 759 L HA -0.234 4.107 4.340 0.002 0.000 0.210 759 L C 2.039 178.619 176.870 -0.483 0.000 1.073 759 L CA 1.710 56.287 54.840 -0.437 0.000 0.748 759 L CB -0.555 41.167 42.059 -0.561 0.000 0.891 759 L HN 0.254 nan 8.230 nan 0.000 0.431 760 Q N -1.055 118.386 119.800 -0.599 0.000 2.167 760 Q HA -0.219 4.123 4.340 0.002 0.000 0.202 760 Q C 2.184 177.946 176.000 -0.396 0.000 0.970 760 Q CA 1.747 57.111 55.803 -0.731 0.000 0.855 760 Q CB -0.196 28.150 28.738 -0.653 0.000 0.911 760 Q HN 0.692 nan 8.270 nan 0.000 0.438 761 Q N -0.160 119.486 119.800 -0.257 0.000 2.124 761 Q HA -0.124 4.217 4.340 0.002 0.000 0.202 761 Q C 2.181 178.080 176.000 -0.169 0.000 0.977 761 Q CA 1.468 57.173 55.803 -0.164 0.000 0.850 761 Q CB 0.043 28.729 28.738 -0.087 0.000 0.901 761 Q HN 0.242 nan 8.270 nan 0.000 0.429 762 V N 0.792 120.598 119.914 -0.180 0.000 2.407 762 V HA -0.152 3.970 4.120 0.002 0.000 0.245 762 V C 2.289 178.275 176.094 -0.180 0.000 1.041 762 V CA 1.516 63.725 62.300 -0.151 0.000 1.040 762 V CB -0.930 30.817 31.823 -0.127 0.000 0.671 762 V HN 0.332 nan 8.190 nan 0.000 0.455 763 A N 0.868 123.545 122.820 -0.239 0.000 1.940 763 A HA -0.140 4.182 4.320 0.002 0.000 0.219 763 A C 2.156 179.424 177.584 -0.526 0.000 1.176 763 A CA 2.117 54.003 52.037 -0.251 0.000 0.631 763 A CB -0.648 18.259 19.000 -0.156 0.000 0.814 763 A HN 0.805 nan 8.150 nan 0.000 0.446 764 V N -3.806 115.751 119.914 -0.595 0.000 3.577 764 V HA 0.291 4.412 4.120 0.002 0.000 0.294 764 V C 1.272 177.200 176.094 -0.275 0.000 1.317 764 V CA 1.385 63.222 62.300 -0.771 0.000 1.169 764 V CB -0.047 31.515 31.823 -0.436 0.000 1.011 764 V HN 0.291 nan 8.190 nan 0.000 0.426 765 S N 0.027 115.610 115.700 -0.194 0.000 2.540 765 S HA 0.463 4.934 4.470 0.002 0.000 0.222 765 S C 1.307 175.881 174.600 -0.043 0.000 1.008 765 S CA 0.317 58.464 58.200 -0.088 0.000 0.939 765 S CB -0.038 63.110 63.200 -0.087 0.000 0.865 765 S HN 0.867 nan 8.310 nan 0.000 0.499 766 G N 0.846 109.625 108.800 -0.036 0.000 2.651 766 G HA2 0.360 4.322 3.960 0.002 0.000 0.260 766 G HA3 0.360 4.322 3.960 0.002 0.000 0.260 766 G C -0.517 174.401 174.900 0.029 0.000 1.216 766 G CA -0.288 44.813 45.100 0.003 0.000 0.913 766 G HN 0.442 nan 8.290 nan 0.000 0.535 767 Q N -0.894 118.922 119.800 0.026 0.000 2.257 767 Q HA 0.639 4.981 4.340 0.002 0.000 0.262 767 Q C -0.430 175.590 176.000 0.032 0.000 0.997 767 Q CA -0.591 55.228 55.803 0.028 0.000 0.873 767 Q CB 1.663 30.410 28.738 0.015 0.000 1.312 767 Q HN 0.861 nan 8.270 nan 0.000 0.450 768 A N 0.000 122.837 122.820 0.029 0.000 2.254 768 A HA 0.000 4.321 4.320 0.002 0.000 0.244 768 A CA 0.000 52.050 52.037 0.022 0.000 0.836 768 A CB 0.000 19.022 19.000 0.036 0.000 0.831 768 A HN 0.000 nan 8.150 nan 0.000 0.486