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 3lii_1_A DATA FIRST_RESID 5 DATA SEQUENCE DAELLVTVRG GRLRGIRLKT PGGPVSAFLG IPFAEPPMGP RRFLPPEPKQ DATA SEQUENCE PWSGVVDATT FQSVcYQYVD TLYPGFEGTE MWNPNRELSE DcLYLNVWTP DATA SEQUENCE YPRPTSPTPV LVWIYGGGFY SGASSLDVYD GRFLVQAERT VLVSMNYRVG DATA SEQUENCE AFGFLALPGS REAPGNVGLL DQRLALQWVQ ENVAAFGGDP TSVTLFGESA DATA SEQUENCE GAASVGMHLL SPPSRGLFHR AVLQSGAPNG PWATVGMGEA RRRATQLAHL DATA SEQUENCE VGCPXXXXXG NDTELVACLR TRPAQVLVNH EWHVLPQESV FRFSFVPVVD DATA SEQUENCE GDFLSDTPEA LINAGDFHGL QVLVGVVKDE GSYFLVYGAP GFSKDNESLI DATA SEQUENCE SRAEFLAGVR VGVPQVSDLA AEAVVLHYTD WLHPEDPARL REALSDVVGD DATA SEQUENCE HNVVcPVAQL AGRLAAQGAR VYAYVFEHRA STLSWPLWMG VPHGYEIEFI DATA SEQUENCE FGIPLDPSRN YTAEEKIFAQ RLMRYWANFA RTGDPNEPRD PKAPQWPPYT DATA SEQUENCE AGAQQYVSLD LRPLEVRRGL RAQAcAFWNR FLPKLLSAT 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.347 176.300 0.078 0.000 2.045 5 D CA 0.000 54.052 54.000 0.087 0.000 0.868 5 D CB 0.000 40.874 40.800 0.124 0.000 0.688 6 A N 1.098 123.962 122.820 0.073 0.000 2.901 6 A HA -0.296 4.024 4.320 -0.000 0.000 0.283 6 A C 1.336 178.956 177.584 0.059 0.000 1.298 6 A CA 2.116 54.188 52.037 0.059 0.000 1.013 6 A CB -1.364 17.655 19.000 0.032 0.000 0.926 6 A HN 0.413 nan 8.150 nan 0.000 0.628 7 E N -1.025 119.222 120.200 0.078 0.000 2.318 7 E HA 0.128 4.478 4.350 -0.000 0.000 0.193 7 E C 1.703 178.424 176.600 0.202 0.000 0.998 7 E CA 0.808 57.255 56.400 0.078 0.000 0.859 7 E CB -0.075 29.628 29.700 0.005 0.000 0.812 7 E HN 0.811 nan 8.360 nan 0.000 0.492 8 L N 0.479 121.834 121.223 0.221 0.000 2.585 8 L HA 0.171 4.511 4.340 -0.000 0.000 0.226 8 L C 0.700 177.806 176.870 0.394 0.000 1.113 8 L CA 0.150 55.179 54.840 0.315 0.000 0.876 8 L CB 0.213 42.385 42.059 0.188 0.000 1.072 8 L HN -0.070 nan 8.230 nan 0.000 0.468 9 L N 0.872 122.227 121.223 0.220 0.000 2.325 9 L HA 0.582 4.922 4.340 -0.000 0.000 0.279 9 L C -0.445 176.448 176.870 0.039 0.000 1.054 9 L CA -0.240 54.674 54.840 0.124 0.000 0.804 9 L CB 2.020 44.123 42.059 0.074 0.000 1.200 9 L HN -0.243 nan 8.230 nan 0.000 0.436 10 V N 0.986 120.852 119.914 -0.081 0.000 3.000 10 V HA 0.333 4.453 4.120 -0.000 0.000 0.300 10 V C -0.444 175.525 176.094 -0.209 0.000 1.251 10 V CA -0.548 61.613 62.300 -0.233 0.000 0.972 10 V CB 2.592 34.092 31.823 -0.538 0.000 1.065 10 V HN 0.807 nan 8.190 nan 0.000 0.431 11 T N 3.238 117.660 114.554 -0.220 0.000 2.770 11 T HA 0.664 5.014 4.350 -0.000 0.000 0.283 11 T C -0.443 174.130 174.700 -0.211 0.000 0.988 11 T CA -0.266 61.731 62.100 -0.172 0.000 0.957 11 T CB 1.558 70.344 68.868 -0.137 0.000 0.930 11 T HN 0.387 nan 8.240 nan 0.000 0.443 12 V N 3.740 123.566 119.914 -0.147 0.000 2.994 12 V HA 0.366 4.486 4.120 -0.000 0.000 0.318 12 V C 1.511 177.513 176.094 -0.153 0.000 1.085 12 V CA -0.905 61.321 62.300 -0.122 0.000 0.998 12 V CB 1.875 33.775 31.823 0.130 0.000 1.063 12 V HN 0.826 nan 8.190 nan 0.000 0.447 13 R N 1.770 122.174 120.500 -0.160 0.000 2.316 13 R HA -0.134 4.206 4.340 -0.000 0.000 0.232 13 R C 1.672 177.853 176.300 -0.198 0.000 1.137 13 R CA 1.347 57.353 56.100 -0.157 0.000 1.012 13 R CB -0.242 29.979 30.300 -0.132 0.000 0.859 13 R HN 0.883 nan 8.270 nan 0.000 0.474 14 G N -0.974 107.651 108.800 -0.292 0.000 2.833 14 G HA2 0.356 4.316 3.960 -0.000 0.000 0.210 14 G HA3 0.356 4.316 3.960 -0.000 0.000 0.210 14 G C 0.413 174.469 174.900 -1.405 0.000 1.139 14 G CA 0.465 45.162 45.100 -0.672 0.000 0.771 14 G HN 0.520 nan 8.290 nan 0.000 0.535 15 G N -0.539 107.639 108.800 -1.037 0.000 2.332 15 G HA2 0.257 4.217 3.960 -0.000 0.000 0.265 15 G HA3 0.257 4.217 3.960 -0.000 0.000 0.265 15 G C -1.436 173.308 174.900 -0.260 0.000 1.329 15 G CA -1.106 43.418 45.100 -0.960 0.000 0.949 15 G HN 0.318 nan 8.290 nan 0.000 0.476 16 R N -0.605 119.941 120.500 0.078 0.000 2.604 16 R HA 0.751 5.091 4.340 -0.000 0.000 0.287 16 R C -0.808 175.691 176.300 0.332 0.000 0.970 16 R CA -0.652 55.550 56.100 0.172 0.000 0.946 16 R CB 1.525 31.878 30.300 0.088 0.000 1.127 16 R HN 0.428 nan 8.270 nan 0.000 0.473 17 L N 1.848 123.170 121.223 0.165 0.000 2.409 17 L HA 0.560 4.899 4.340 -0.000 0.000 0.272 17 L C -0.161 176.784 176.870 0.124 0.000 0.980 17 L CA -0.808 54.114 54.840 0.137 0.000 0.826 17 L CB 2.166 44.252 42.059 0.044 0.000 1.268 17 L HN 0.360 nan 8.230 nan 0.000 0.407 18 R N 1.069 121.674 120.500 0.174 0.000 2.254 18 R HA 0.562 4.902 4.340 -0.000 0.000 0.318 18 R C 0.240 176.754 176.300 0.355 0.000 1.031 18 R CA -0.173 56.063 56.100 0.227 0.000 0.905 18 R CB 1.675 32.054 30.300 0.131 0.000 1.050 18 R HN 0.899 nan 8.270 nan 0.000 0.456 19 G N 2.850 111.984 108.800 0.557 0.000 2.531 19 G HA2 0.481 4.441 3.960 -0.000 0.000 0.281 19 G HA3 0.481 4.441 3.960 -0.000 0.000 0.281 19 G C -0.747 174.115 174.900 -0.063 0.000 1.382 19 G CA -0.476 44.744 45.100 0.201 0.000 1.045 19 G HN 0.500 nan 8.290 nan 0.000 0.533 20 I N -1.047 119.367 120.570 -0.260 0.000 2.865 20 I HA 0.490 4.660 4.170 -0.000 0.000 0.302 20 I C -0.816 175.175 176.117 -0.211 0.000 1.140 20 I CA -1.023 60.167 61.300 -0.183 0.000 1.021 20 I CB 2.517 40.407 38.000 -0.184 0.000 1.233 20 I HN 0.420 nan 8.210 nan 0.000 0.427 21 R N 6.095 126.503 120.500 -0.154 0.000 2.312 21 R HA 0.663 5.003 4.340 -0.000 0.000 0.311 21 R C -1.695 174.500 176.300 -0.175 0.000 1.004 21 R CA -0.519 55.467 56.100 -0.190 0.000 0.902 21 R CB 1.047 31.215 30.300 -0.221 0.000 1.073 21 R HN 0.509 nan 8.270 nan 0.000 0.457 22 L N 3.987 125.108 121.223 -0.170 0.000 2.362 22 L HA 0.481 4.821 4.340 -0.000 0.000 0.275 22 L C -0.363 176.426 176.870 -0.135 0.000 0.998 22 L CA -1.168 53.596 54.840 -0.126 0.000 0.820 22 L CB 1.972 43.981 42.059 -0.083 0.000 1.270 22 L HN 0.424 nan 8.230 nan 0.000 0.415 23 K N 1.132 121.470 120.400 -0.103 0.000 2.258 23 K HA 0.482 4.802 4.320 -0.000 0.000 0.264 23 K C -0.462 176.108 176.600 -0.050 0.000 1.007 23 K CA 0.149 56.391 56.287 -0.075 0.000 0.941 23 K CB 0.812 33.286 32.500 -0.043 0.000 0.966 23 K HN 0.487 nan 8.250 nan 0.000 0.480 24 T N 3.279 117.828 114.554 -0.009 0.000 2.971 24 T HA 0.196 4.546 4.350 -0.000 0.000 0.304 24 T C -1.880 172.868 174.700 0.081 0.000 1.038 24 T CA -1.313 60.833 62.100 0.076 0.000 1.007 24 T CB 1.660 70.561 68.868 0.055 0.000 1.055 24 T HN 0.449 nan 8.240 nan 0.000 0.451 25 P HA -0.199 nan 4.420 nan 0.000 0.226 25 P C 0.984 178.316 177.300 0.054 0.000 1.154 25 P CA 1.631 64.770 63.100 0.066 0.000 0.918 25 P CB -0.018 31.717 31.700 0.059 0.000 0.790 26 G N -1.143 107.698 108.800 0.068 0.000 4.125 26 G HA2 0.516 4.476 3.960 -0.000 0.000 0.301 26 G HA3 0.516 4.476 3.960 -0.000 0.000 0.301 26 G C 0.345 175.274 174.900 0.048 0.000 1.273 26 G CA 0.311 45.443 45.100 0.053 0.000 1.095 26 G HN 0.731 nan 8.290 nan 0.000 0.582 27 G N 0.142 108.962 108.800 0.034 0.000 2.320 27 G HA2 0.419 4.379 3.960 -0.000 0.000 0.274 27 G HA3 0.419 4.379 3.960 -0.000 0.000 0.274 27 G C -3.666 171.222 174.900 -0.020 0.000 1.324 27 G CA -0.384 44.731 45.100 0.025 0.000 0.957 27 G HN 0.273 nan 8.290 nan 0.000 0.481 28 P HA 0.756 nan 4.420 nan 0.000 0.318 28 P C -1.357 175.907 177.300 -0.060 0.000 1.364 28 P CA -0.841 62.172 63.100 -0.145 0.000 1.222 28 P CB 2.834 34.297 31.700 -0.395 0.000 1.869 29 V N -0.370 119.494 119.914 -0.083 0.000 2.876 29 V HA 0.566 4.686 4.120 -0.000 0.000 0.312 29 V C -0.181 175.912 176.094 -0.002 0.000 1.085 29 V CA -0.680 61.638 62.300 0.030 0.000 0.945 29 V CB 2.061 33.919 31.823 0.058 0.000 1.017 29 V HN 0.503 nan 8.190 nan 0.000 0.428 30 S N 2.353 118.092 115.700 0.065 0.000 2.438 30 S HA 0.789 5.259 4.470 -0.000 0.000 0.293 30 S C 0.028 174.460 174.600 -0.280 0.000 1.141 30 S CA -0.392 57.758 58.200 -0.083 0.000 1.080 30 S CB 1.376 64.592 63.200 0.028 0.000 0.978 30 S HN 1.190 nan 8.310 nan 0.000 0.479 31 A N 2.799 125.311 122.820 -0.513 0.000 2.330 31 A HA 0.815 5.135 4.320 -0.000 0.000 0.327 31 A C -1.088 175.932 177.584 -0.940 0.000 1.155 31 A CA -0.609 51.012 52.037 -0.692 0.000 0.803 31 A CB 0.353 19.003 19.000 -0.583 0.000 1.208 31 A HN 0.654 nan 8.150 nan 0.000 0.477 32 F N 2.687 122.411 119.950 -0.376 0.000 2.443 32 F HA 0.374 4.901 4.527 -0.000 0.000 0.369 32 F C -0.264 175.320 175.800 -0.360 0.000 1.090 32 F CA -0.595 57.261 58.000 -0.241 0.000 1.129 32 F CB 1.119 40.102 39.000 -0.027 0.000 1.367 32 F HN 0.350 nan 8.300 nan 0.000 0.465 33 L N 2.477 123.550 121.223 -0.250 0.000 2.264 33 L HA 0.594 4.934 4.340 -0.000 0.000 0.289 33 L C 0.908 177.676 176.870 -0.171 0.000 1.044 33 L CA -0.687 53.930 54.840 -0.372 0.000 0.807 33 L CB 1.157 42.804 42.059 -0.687 0.000 1.192 33 L HN 0.819 nan 8.230 nan 0.000 0.425 34 G N 3.873 112.635 108.800 -0.064 0.000 2.248 34 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.263 34 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.263 34 G C -0.127 174.790 174.900 0.028 0.000 1.082 34 G CA -0.546 44.541 45.100 -0.023 0.000 0.863 34 G HN 0.547 nan 8.290 nan 0.000 0.495 35 I N 1.970 122.574 120.570 0.057 0.000 2.517 35 I HA 0.178 4.348 4.170 -0.000 0.000 0.285 35 I C -1.311 174.893 176.117 0.145 0.000 1.106 35 I CA -1.800 59.535 61.300 0.059 0.000 1.402 35 I CB 0.685 38.681 38.000 -0.007 0.000 1.399 35 I HN -0.002 nan 8.210 nan 0.000 0.535 36 P HA -0.060 nan 4.420 nan 0.000 0.267 36 P C -0.165 177.082 177.300 -0.089 0.000 1.209 36 P CA 0.297 63.332 63.100 -0.107 0.000 0.763 36 P CB 0.255 31.851 31.700 -0.173 0.000 0.816 37 F N 1.522 121.282 119.950 -0.315 0.000 2.746 37 F HA 0.712 5.239 4.527 -0.000 0.000 0.320 37 F C -0.129 175.616 175.800 -0.092 0.000 1.097 37 F CA -0.683 57.174 58.000 -0.239 0.000 1.195 37 F CB 0.342 39.074 39.000 -0.446 0.000 1.056 37 F HN 0.330 nan 8.300 nan 0.000 0.562 38 A N 0.165 122.666 122.820 -0.531 0.000 2.606 38 A HA 0.604 4.924 4.320 -0.000 0.000 0.293 38 A C -0.982 176.415 177.584 -0.311 0.000 1.082 38 A CA -0.753 51.063 52.037 -0.368 0.000 0.685 38 A CB 1.040 19.729 19.000 -0.518 0.000 1.284 38 A HN 0.067 nan 8.150 nan 0.000 0.408 39 E N 1.160 121.262 120.200 -0.164 0.000 2.392 39 E HA 0.271 4.621 4.350 -0.000 0.000 0.264 39 E C -2.315 174.179 176.600 -0.176 0.000 1.024 39 E CA -1.435 54.888 56.400 -0.128 0.000 0.903 39 E CB 0.082 29.751 29.700 -0.052 0.000 0.963 39 E HN 0.247 nan 8.360 nan 0.000 0.432 40 P HA -0.018 nan 4.420 nan 0.000 0.260 40 P C -2.256 174.972 177.300 -0.120 0.000 1.172 40 P CA -0.552 62.456 63.100 -0.153 0.000 0.760 40 P CB -0.042 31.601 31.700 -0.095 0.000 0.773 41 P HA 0.147 nan 4.420 nan 0.000 0.225 41 P C -0.562 176.679 177.300 -0.099 0.000 1.813 41 P CA 0.532 63.568 63.100 -0.106 0.000 1.013 41 P CB 0.017 31.650 31.700 -0.112 0.000 1.961 42 M N -0.207 119.344 119.600 -0.081 0.000 2.662 42 M HA 0.494 4.974 4.480 -0.000 0.000 0.310 42 M C 1.213 177.477 176.300 -0.060 0.000 1.204 42 M CA -0.324 54.933 55.300 -0.071 0.000 0.891 42 M CB 2.014 34.583 32.600 -0.052 0.000 1.732 42 M HN 0.299 nan 8.290 nan 0.000 0.467 43 G N 2.133 110.900 108.800 -0.056 0.000 2.646 43 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.324 43 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.324 43 G C -1.636 173.241 174.900 -0.038 0.000 1.195 43 G CA 0.262 45.339 45.100 -0.039 0.000 0.976 43 G HN 0.596 nan 8.290 nan 0.000 0.546 44 P HA 0.118 nan 4.420 nan 0.000 0.247 44 P C 1.158 178.453 177.300 -0.008 0.000 1.225 44 P CA 0.915 64.013 63.100 -0.003 0.000 0.768 44 P CB 0.050 31.751 31.700 0.003 0.000 1.020 45 R N -1.009 119.468 120.500 -0.038 0.000 2.344 45 R HA 0.172 4.511 4.340 -0.000 0.000 0.209 45 R C 1.176 177.421 176.300 -0.091 0.000 0.886 45 R CA -0.446 55.628 56.100 -0.043 0.000 1.040 45 R CB 0.071 30.344 30.300 -0.044 0.000 1.114 45 R HN 0.014 nan 8.270 nan 0.000 0.547 46 R N 0.911 121.304 120.500 -0.178 0.000 2.500 46 R HA -0.206 4.134 4.340 -0.000 0.000 0.281 46 R C -0.545 175.483 176.300 -0.452 0.000 0.953 46 R CA 1.047 56.888 56.100 -0.432 0.000 1.108 46 R CB 0.041 29.975 30.300 -0.611 0.000 0.901 46 R HN 0.187 nan 8.270 nan 0.000 0.410 47 F N -0.356 119.585 119.950 -0.015 0.000 2.619 47 F HA -0.283 4.244 4.527 -0.000 0.000 0.425 47 F C -0.055 175.719 175.800 -0.044 0.000 0.575 47 F CA 0.241 58.208 58.000 -0.054 0.000 1.289 47 F CB -1.380 37.575 39.000 -0.074 0.000 1.859 47 F HN 0.380 nan 8.300 nan 0.000 0.280 48 L N 0.984 122.265 121.223 0.096 0.000 2.375 48 L HA 0.478 4.818 4.340 -0.000 0.000 0.268 48 L C -1.558 175.334 176.870 0.035 0.000 1.058 48 L CA -1.322 53.556 54.840 0.063 0.000 0.803 48 L CB 1.139 43.222 42.059 0.039 0.000 1.212 48 L HN -0.372 nan 8.230 nan 0.000 0.451 49 P HA 0.053 nan 4.420 nan 0.000 0.270 49 P C -2.511 174.806 177.300 0.028 0.000 1.221 49 P CA -0.377 62.748 63.100 0.042 0.000 0.788 49 P CB -0.107 31.627 31.700 0.056 0.000 0.904 50 P HA 0.369 nan 4.420 nan 0.000 0.286 50 P C -1.103 176.210 177.300 0.022 0.000 1.261 50 P CA -0.329 62.775 63.100 0.007 0.000 0.821 50 P CB 0.905 32.626 31.700 0.033 0.000 1.013 51 E N 2.464 122.661 120.200 -0.005 0.000 2.199 51 E HA 0.370 4.720 4.350 -0.000 0.000 0.269 51 E C -2.299 174.319 176.600 0.030 0.000 0.899 51 E CA -2.419 53.994 56.400 0.022 0.000 0.772 51 E CB 0.713 30.422 29.700 0.015 0.000 1.155 51 E HN 0.336 nan 8.360 nan 0.000 0.408 52 P HA -0.086 nan 4.420 nan 0.000 0.262 52 P C -0.529 176.836 177.300 0.107 0.000 1.182 52 P CA -0.101 63.074 63.100 0.125 0.000 0.761 52 P CB 0.406 32.194 31.700 0.148 0.000 0.795 53 K N 3.729 124.203 120.400 0.123 0.000 2.524 53 K HA -0.037 4.283 4.320 -0.000 0.000 0.279 53 K C 0.345 177.069 176.600 0.208 0.000 0.993 53 K CA 0.688 57.055 56.287 0.134 0.000 1.030 53 K CB 0.108 32.705 32.500 0.161 0.000 0.891 53 K HN 0.318 nan 8.250 nan 0.000 0.488 54 Q N 3.960 123.873 119.800 0.187 0.000 2.193 54 Q HA 0.395 4.735 4.340 -0.000 0.000 0.246 54 Q C -2.030 174.112 176.000 0.236 0.000 0.959 54 Q CA -2.013 53.889 55.803 0.164 0.000 0.904 54 Q CB 0.525 29.328 28.738 0.109 0.000 1.238 54 Q HN 0.547 nan 8.270 nan 0.000 0.469 55 P HA 0.025 nan 4.420 nan 0.000 0.270 55 P C -1.077 176.305 177.300 0.136 0.000 1.223 55 P CA 0.031 63.115 63.100 -0.026 0.000 0.785 55 P CB 0.255 31.866 31.700 -0.148 0.000 0.923 56 W N 0.319 121.647 121.300 0.045 0.000 2.864 56 W HA 0.678 5.338 4.660 -0.000 0.000 0.343 56 W C -0.629 175.908 176.519 0.031 0.000 1.109 56 W CA -0.970 56.398 57.345 0.038 0.000 1.192 56 W CB 0.209 29.698 29.460 0.048 0.000 1.426 56 W HN 0.383 nan 8.180 nan 0.000 0.529 57 S N 1.944 117.766 115.700 0.204 0.000 2.652 57 S HA 0.843 5.313 4.470 -0.000 0.000 0.270 57 S C 0.523 175.279 174.600 0.259 0.000 1.243 57 S CA 0.195 58.468 58.200 0.123 0.000 0.999 57 S CB 0.811 64.061 63.200 0.083 0.000 0.973 57 S HN 2.251 nan 8.310 nan 0.000 0.544 58 G N -0.535 108.368 108.800 0.171 0.000 2.681 58 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.220 58 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.220 58 G C -0.371 174.689 174.900 0.267 0.000 1.353 58 G CA -0.346 44.863 45.100 0.181 0.000 0.872 58 G HN 2.191 nan 8.290 nan 0.000 0.557 59 V N -2.520 117.518 119.914 0.207 0.000 2.384 59 V HA 0.712 4.832 4.120 -0.000 0.000 0.287 59 V C 0.660 176.843 176.094 0.149 0.000 1.020 59 V CA -0.840 61.592 62.300 0.221 0.000 0.850 59 V CB 1.325 33.230 31.823 0.136 0.000 0.987 59 V HN 1.343 nan 8.190 nan 0.000 0.436 60 V N 4.397 124.388 119.914 0.128 0.000 2.421 60 V HA 0.080 4.200 4.120 -0.000 0.000 0.271 60 V C 0.971 177.056 176.094 -0.014 0.000 1.031 60 V CA 0.090 62.334 62.300 -0.093 0.000 1.032 60 V CB 0.462 32.078 31.823 -0.346 0.000 1.009 60 V HN 1.052 nan 8.190 nan 0.000 0.477 61 D N 5.154 125.537 120.400 -0.028 0.000 2.419 61 D HA 0.003 4.643 4.640 -0.000 0.000 0.281 61 D C 0.741 177.021 176.300 -0.035 0.000 1.398 61 D CA 0.369 54.359 54.000 -0.016 0.000 1.047 61 D CB 0.886 41.662 40.800 -0.040 0.000 1.115 61 D HN 0.738 nan 8.370 nan 0.000 0.540 62 A N 3.366 126.207 122.820 0.035 0.000 2.797 62 A HA 0.080 4.400 4.320 -0.000 0.000 0.287 62 A C 1.503 179.072 177.584 -0.025 0.000 1.369 62 A CA -0.097 51.961 52.037 0.035 0.000 0.968 62 A CB -0.252 18.864 19.000 0.194 0.000 1.069 62 A HN 0.545 nan 8.150 nan 0.000 0.571 63 T N -3.644 110.866 114.554 -0.073 0.000 3.086 63 T HA 0.272 4.622 4.350 -0.000 0.000 0.250 63 T C 0.489 175.066 174.700 -0.204 0.000 1.074 63 T CA 0.747 62.772 62.100 -0.126 0.000 0.988 63 T CB -0.107 68.715 68.868 -0.076 0.000 0.988 63 T HN 0.335 nan 8.240 nan 0.000 0.530 64 T N 0.076 114.492 114.554 -0.231 0.000 2.840 64 T HA 0.514 4.864 4.350 -0.000 0.000 0.317 64 T C -1.775 172.779 174.700 -0.244 0.000 1.401 64 T CA -0.816 61.128 62.100 -0.260 0.000 1.028 64 T CB 0.615 69.402 68.868 -0.135 0.000 1.317 64 T HN 0.051 nan 8.240 nan 0.000 0.495 65 F N 3.524 123.417 119.950 -0.095 0.000 2.578 65 F HA 0.273 4.800 4.527 -0.000 0.000 0.381 65 F C 1.490 177.205 175.800 -0.142 0.000 1.069 65 F CA 0.012 57.958 58.000 -0.090 0.000 1.231 65 F CB 0.466 39.445 39.000 -0.035 0.000 1.086 65 F HN 0.438 nan 8.300 nan 0.000 0.564 66 Q N 1.458 121.259 119.800 0.002 0.000 2.700 66 Q HA 0.196 4.536 4.340 -0.000 0.000 0.191 66 Q C 0.252 176.199 176.000 -0.089 0.000 1.134 66 Q CA -0.084 55.581 55.803 -0.230 0.000 1.193 66 Q CB 0.465 28.790 28.738 -0.688 0.000 1.250 66 Q HN 0.646 nan 8.270 nan 0.000 0.670 67 S N -0.663 114.974 115.700 -0.105 0.000 2.600 67 S HA 0.248 4.718 4.470 -0.000 0.000 0.265 67 S C -0.173 174.406 174.600 -0.035 0.000 1.325 67 S CA -0.743 57.419 58.200 -0.063 0.000 1.002 67 S CB 0.742 63.900 63.200 -0.070 0.000 0.921 67 S HN 0.333 nan 8.310 nan 0.000 0.554 68 V N 1.648 121.499 119.914 -0.105 0.000 2.498 68 V HA 0.127 4.247 4.120 -0.000 0.000 0.279 68 V C 0.449 176.452 176.094 -0.151 0.000 1.048 68 V CA -0.813 61.410 62.300 -0.129 0.000 0.967 68 V CB 0.435 32.153 31.823 -0.176 0.000 0.988 68 V HN 1.060 nan 8.190 nan 0.000 0.473 69 c N 4.463 122.999 118.600 -0.107 0.000 2.702 69 c HA 0.090 4.660 4.570 -0.000 0.000 0.411 69 c C 0.443 174.445 174.090 -0.147 0.000 1.286 69 c CA -0.675 55.584 56.329 -0.117 0.000 1.979 69 c CB -0.956 41.517 42.510 -0.062 0.000 2.728 69 c HN 0.684 nan 8.230 nan 0.000 0.652 70 Y N 2.516 122.631 120.300 -0.308 0.000 2.526 70 Y HA 0.340 4.889 4.550 -0.000 0.000 0.330 70 Y C 0.871 176.726 175.900 -0.074 0.000 1.156 70 Y CA 0.950 58.884 58.100 -0.277 0.000 1.419 70 Y CB 0.291 38.398 38.460 -0.588 0.000 1.250 70 Y HN 0.711 nan 8.280 nan 0.000 0.540 71 Q N 2.520 122.443 119.800 0.205 0.000 2.575 71 Q HA 0.273 4.613 4.340 -0.000 0.000 0.290 71 Q C -1.843 174.370 176.000 0.355 0.000 0.963 71 Q CA -1.276 54.707 55.803 0.300 0.000 0.783 71 Q CB 1.510 30.358 28.738 0.184 0.000 1.467 71 Q HN 0.615 nan 8.270 nan 0.000 0.402 72 Y N 0.962 121.477 120.300 0.358 0.000 2.511 72 Y HA 0.360 4.910 4.550 -0.000 0.000 0.332 72 Y C -0.918 175.189 175.900 0.345 0.000 1.177 72 Y CA 0.114 58.441 58.100 0.379 0.000 1.422 72 Y CB 0.960 39.733 38.460 0.521 0.000 1.271 72 Y HN 0.456 nan 8.280 nan 0.000 0.550 73 V N 7.066 126.699 119.914 -0.468 0.000 2.313 73 V HA 0.076 4.196 4.120 -0.000 0.000 0.278 73 V C -0.534 175.324 176.094 -0.392 0.000 1.017 73 V CA -0.988 61.163 62.300 -0.248 0.000 0.823 73 V CB 0.946 32.679 31.823 -0.151 0.000 1.010 73 V HN 0.834 nan 8.190 nan 0.000 0.443 74 D N 4.150 124.597 120.400 0.079 0.000 2.581 74 D HA -0.033 4.607 4.640 -0.000 0.000 0.238 74 D C 0.870 177.245 176.300 0.125 0.000 1.145 74 D CA 0.754 54.924 54.000 0.284 0.000 0.866 74 D CB 0.856 41.935 40.800 0.464 0.000 1.151 74 D HN 0.678 nan 8.370 nan 0.000 0.500 75 T N 2.257 116.855 114.554 0.073 0.000 3.415 75 T HA 0.128 4.478 4.350 -0.000 0.000 0.282 75 T C 1.124 175.797 174.700 -0.045 0.000 1.007 75 T CA -0.617 61.491 62.100 0.014 0.000 0.958 75 T CB -0.033 68.819 68.868 -0.026 0.000 1.171 75 T HN 0.309 nan 8.240 nan 0.000 0.500 76 L N 0.370 121.539 121.223 -0.091 0.000 2.068 76 L HA 0.383 4.723 4.340 -0.000 0.000 0.204 76 L C -0.346 176.207 176.870 -0.529 0.000 1.076 76 L CA 1.312 55.919 54.840 -0.388 0.000 0.753 76 L CB -0.104 41.552 42.059 -0.672 0.000 0.910 76 L HN 0.359 nan 8.230 nan 0.000 0.439 77 Y N 0.936 121.216 120.300 -0.034 0.000 2.712 77 Y HA 0.479 5.029 4.550 -0.000 0.000 0.328 77 Y C -2.243 173.682 175.900 0.041 0.000 0.995 77 Y CA -3.285 54.782 58.100 -0.056 0.000 1.283 77 Y CB 0.097 38.439 38.460 -0.196 0.000 1.092 77 Y HN 0.103 nan 8.280 nan 0.000 0.519 78 P HA 0.216 nan 4.420 nan 0.000 0.279 78 P C 0.779 178.142 177.300 0.104 0.000 1.239 78 P CA 0.188 63.343 63.100 0.093 0.000 0.789 78 P CB 1.210 32.931 31.700 0.034 0.000 0.933 79 G N 1.785 110.634 108.800 0.082 0.000 2.203 79 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.263 79 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.263 79 G C -0.131 174.812 174.900 0.072 0.000 1.012 79 G CA -0.240 44.888 45.100 0.047 0.000 0.749 79 G HN 0.522 nan 8.290 nan 0.000 0.512 80 F N 0.834 120.757 119.950 -0.046 0.000 2.410 80 F HA 0.500 5.027 4.527 -0.000 0.000 0.348 80 F C 1.315 177.017 175.800 -0.162 0.000 1.106 80 F CA -0.653 57.271 58.000 -0.127 0.000 1.163 80 F CB 0.982 39.892 39.000 -0.149 0.000 1.129 80 F HN 0.194 nan 8.300 nan 0.000 0.516 81 E N 3.291 122.956 120.200 -0.892 0.000 2.118 81 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 81 E C 1.718 177.806 176.600 -0.852 0.000 0.992 81 E CA 1.368 57.302 56.400 -0.776 0.000 0.804 81 E CB -0.287 29.045 29.700 -0.614 0.000 0.741 81 E HN 0.971 nan 8.360 nan 0.000 0.458 82 G N -1.043 106.857 108.800 -1.500 0.000 2.985 82 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.209 82 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.209 82 G C 1.146 176.187 174.900 0.235 0.000 1.165 82 G CA 0.590 45.309 45.100 -0.635 0.000 0.776 82 G HN 0.190 nan 8.290 nan 0.000 0.541 83 T N -0.568 114.054 114.554 0.113 0.000 3.058 83 T HA 0.086 4.436 4.350 -0.000 0.000 0.247 83 T C 2.053 176.923 174.700 0.283 0.000 0.987 83 T CA 0.115 62.535 62.100 0.533 0.000 1.062 83 T CB 0.278 69.547 68.868 0.669 0.000 1.048 83 T HN 0.099 nan 8.240 nan 0.000 0.468 84 E N 2.281 122.500 120.200 0.032 0.000 2.152 84 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 84 E C 2.156 178.645 176.600 -0.185 0.000 0.983 84 E CA 0.828 57.202 56.400 -0.045 0.000 0.818 84 E CB -0.465 29.182 29.700 -0.089 0.000 0.758 84 E HN 0.679 nan 8.360 nan 0.000 0.467 85 M N -1.743 117.624 119.600 -0.389 0.000 2.331 85 M HA -0.139 4.341 4.480 -0.000 0.000 0.260 85 M C 1.506 177.389 176.300 -0.695 0.000 1.072 85 M CA 1.722 56.627 55.300 -0.658 0.000 1.065 85 M CB -0.796 31.253 32.600 -0.919 0.000 1.392 85 M HN 0.031 nan 8.290 nan 0.000 0.427 86 W N 0.695 121.939 121.300 -0.093 0.000 2.996 86 W HA 0.248 4.908 4.660 -0.000 0.000 0.270 86 W C 0.610 177.065 176.519 -0.106 0.000 1.280 86 W CA -1.031 56.245 57.345 -0.115 0.000 1.549 86 W CB -0.215 29.223 29.460 -0.037 0.000 1.079 86 W HN 0.096 nan 8.180 nan 0.000 0.629 87 N N 1.622 120.391 118.700 0.115 0.000 2.424 87 N HA 0.139 4.879 4.740 -0.000 0.000 0.257 87 N C -2.446 173.032 175.510 -0.053 0.000 1.250 87 N CA -1.390 51.684 53.050 0.039 0.000 0.946 87 N CB -0.395 38.114 38.487 0.036 0.000 1.175 87 N HN -0.315 nan 8.380 nan 0.000 0.477 88 P HA 0.117 nan 4.420 nan 0.000 0.268 88 P C -0.029 177.200 177.300 -0.118 0.000 1.204 88 P CA -0.178 62.850 63.100 -0.121 0.000 0.768 88 P CB 0.248 31.871 31.700 -0.129 0.000 0.842 89 N N 1.968 120.586 118.700 -0.137 0.000 2.279 89 N HA 0.106 4.846 4.740 -0.000 0.000 0.226 89 N C 0.199 175.650 175.510 -0.099 0.000 1.126 89 N CA -0.117 52.862 53.050 -0.118 0.000 0.846 89 N CB 0.204 38.612 38.487 -0.131 0.000 1.050 89 N HN 0.148 nan 8.380 nan 0.000 0.502 90 R N -0.248 120.186 120.500 -0.109 0.000 2.795 90 R HA 0.337 4.677 4.340 -0.000 0.000 0.268 90 R C -0.722 175.505 176.300 -0.121 0.000 1.041 90 R CA -0.659 55.383 56.100 -0.095 0.000 0.927 90 R CB 0.957 31.207 30.300 -0.083 0.000 1.235 90 R HN 0.188 nan 8.270 nan 0.000 0.463 91 E N 0.854 120.981 120.200 -0.121 0.000 2.383 91 E HA 0.193 4.543 4.350 -0.000 0.000 0.264 91 E C -0.190 176.268 176.600 -0.237 0.000 1.050 91 E CA -0.181 56.124 56.400 -0.159 0.000 0.896 91 E CB 0.654 30.278 29.700 -0.128 0.000 0.982 91 E HN 0.205 nan 8.360 nan 0.000 0.424 92 L N 2.180 123.180 121.223 -0.372 0.000 2.416 92 L HA 0.192 4.532 4.340 -0.000 0.000 0.272 92 L C 0.382 176.861 176.870 -0.651 0.000 1.161 92 L CA 0.173 54.616 54.840 -0.662 0.000 0.845 92 L CB 0.698 42.074 42.059 -1.138 0.000 1.119 92 L HN 0.388 nan 8.230 nan 0.000 0.464 93 S N 0.962 116.390 115.700 -0.454 0.000 2.579 93 S HA 0.256 4.726 4.470 -0.000 0.000 0.272 93 S C 0.288 174.912 174.600 0.039 0.000 1.141 93 S CA -0.701 57.422 58.200 -0.129 0.000 0.843 93 S CB 1.845 65.014 63.200 -0.051 0.000 1.122 93 S HN 0.721 nan 8.310 nan 0.000 0.468 94 E N 0.699 120.976 120.200 0.129 0.000 2.358 94 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 94 E C -0.489 176.079 176.600 -0.053 0.000 1.010 94 E CA 0.373 56.754 56.400 -0.032 0.000 0.856 94 E CB 0.098 29.739 29.700 -0.100 0.000 0.795 94 E HN 0.565 nan 8.360 nan 0.000 0.504 95 D N 0.350 120.743 120.400 -0.011 0.000 2.422 95 D HA 0.010 4.650 4.640 -0.000 0.000 0.227 95 D C 0.303 176.651 176.300 0.081 0.000 1.190 95 D CA -0.338 53.660 54.000 -0.004 0.000 0.905 95 D CB 0.145 40.965 40.800 0.034 0.000 1.034 95 D HN 0.111 nan 8.370 nan 0.000 0.507 96 c N 2.541 121.141 118.600 -0.000 0.000 4.403 96 c HA 0.316 4.886 4.570 -0.000 0.000 0.408 96 c C 0.827 174.911 174.090 -0.010 0.000 1.714 96 c CA -0.571 55.816 56.329 0.098 0.000 2.002 96 c CB -1.079 41.443 42.510 0.021 0.000 3.129 96 c HN 0.476 nan 8.230 nan 0.000 0.662 97 L N 2.635 123.628 121.223 -0.383 0.000 2.449 97 L HA 0.262 4.601 4.340 -0.000 0.000 0.266 97 L C -0.853 175.427 176.870 -0.984 0.000 1.321 97 L CA 0.764 55.194 54.840 -0.683 0.000 1.194 97 L CB -0.966 40.511 42.059 -0.971 0.000 1.384 97 L HN 0.393 nan 8.230 nan 0.000 0.438 98 Y N 1.779 122.071 120.300 -0.012 0.000 2.524 98 Y HA 0.616 5.166 4.550 -0.000 0.000 0.344 98 Y C 0.109 176.214 175.900 0.341 0.000 1.012 98 Y CA -1.193 56.989 58.100 0.136 0.000 1.068 98 Y CB 1.872 40.350 38.460 0.030 0.000 1.249 98 Y HN 0.199 nan 8.280 nan 0.000 0.468 99 L N 0.048 121.450 121.223 0.299 0.000 2.279 99 L HA 0.753 5.093 4.340 -0.000 0.000 0.262 99 L C -1.018 175.849 176.870 -0.005 0.000 1.019 99 L CA -1.216 53.650 54.840 0.042 0.000 0.823 99 L CB 1.310 43.195 42.059 -0.290 0.000 1.358 99 L HN 0.449 nan 8.230 nan 0.000 0.432 100 N N -0.211 118.489 118.700 -0.001 0.000 2.272 100 N HA 0.672 5.412 4.740 -0.000 0.000 0.305 100 N C -1.487 173.915 175.510 -0.180 0.000 1.103 100 N CA -0.481 52.475 53.050 -0.157 0.000 0.791 100 N CB 2.864 41.199 38.487 -0.254 0.000 1.356 100 N HN 0.447 nan 8.380 nan 0.000 0.486 101 V N 1.657 121.391 119.914 -0.301 0.000 2.483 101 V HA 0.406 4.526 4.120 -0.000 0.000 0.297 101 V C -0.780 175.168 176.094 -0.243 0.000 1.027 101 V CA -0.739 61.438 62.300 -0.206 0.000 0.855 101 V CB 1.757 33.317 31.823 -0.439 0.000 0.995 101 V HN 0.539 nan 8.190 nan 0.000 0.424 102 W N 2.767 124.072 121.300 0.009 0.000 2.469 102 W HA 0.645 5.305 4.660 -0.000 0.000 0.320 102 W C 0.104 176.645 176.519 0.037 0.000 1.086 102 W CA -0.443 56.900 57.345 -0.002 0.000 1.211 102 W CB 2.119 31.580 29.460 0.003 0.000 1.298 102 W HN 0.426 nan 8.180 nan 0.000 0.525 103 T N 3.457 118.168 114.554 0.262 0.000 2.916 103 T HA 0.408 4.758 4.350 -0.000 0.000 0.305 103 T C -2.686 172.136 174.700 0.204 0.000 1.119 103 T CA -1.785 60.460 62.100 0.241 0.000 1.008 103 T CB 2.141 71.203 68.868 0.323 0.000 1.129 103 T HN -0.074 nan 8.240 nan 0.000 0.480 104 P HA 0.161 nan 4.420 nan 0.000 0.268 104 P C -0.048 177.367 177.300 0.192 0.000 1.204 104 P CA -0.062 63.133 63.100 0.159 0.000 0.768 104 P CB 0.291 32.064 31.700 0.121 0.000 0.842 105 Y N 5.463 125.792 120.300 0.048 0.000 2.165 105 Y HA -0.111 4.439 4.550 -0.000 0.000 0.286 105 Y C -0.861 175.066 175.900 0.045 0.000 1.155 105 Y CA 0.606 58.729 58.100 0.039 0.000 1.164 105 Y CB -0.972 37.502 38.460 0.022 0.000 0.978 105 Y HN 0.347 nan 8.280 nan 0.000 0.513 106 P HA 0.036 nan 4.420 nan 0.000 0.260 106 P C -0.903 176.378 177.300 -0.032 0.000 1.651 106 P CA 0.080 63.110 63.100 -0.117 0.000 1.139 106 P CB -0.234 31.440 31.700 -0.043 0.000 1.756 107 R N 5.483 125.965 120.500 -0.030 0.000 2.730 107 R HA -0.037 4.303 4.340 -0.000 0.000 0.327 107 R C -1.658 174.672 176.300 0.049 0.000 0.825 107 R CA -0.793 55.342 56.100 0.057 0.000 1.130 107 R CB -0.305 30.045 30.300 0.082 0.000 0.883 107 R HN 0.325 nan 8.270 nan 0.000 0.407 108 P HA -0.103 nan 4.420 nan 0.000 0.261 108 P C 0.366 177.691 177.300 0.042 0.000 1.173 108 P CA 0.468 63.601 63.100 0.055 0.000 0.760 108 P CB 0.918 32.661 31.700 0.072 0.000 0.783 109 T N -0.934 113.634 114.554 0.024 0.000 3.009 109 T HA 0.011 4.361 4.350 -0.000 0.000 0.258 109 T C 0.873 175.583 174.700 0.017 0.000 1.063 109 T CA 0.205 62.314 62.100 0.015 0.000 1.139 109 T CB -0.437 68.434 68.868 0.004 0.000 0.890 109 T HN 0.317 nan 8.240 nan 0.000 0.471 110 S N 3.659 119.371 115.700 0.021 0.000 2.549 110 S HA 0.267 4.737 4.470 -0.000 0.000 0.286 110 S C -2.454 172.164 174.600 0.031 0.000 1.314 110 S CA -0.811 57.401 58.200 0.020 0.000 1.062 110 S CB 0.593 63.805 63.200 0.019 0.000 0.865 110 S HN 0.260 nan 8.310 nan 0.000 0.498 111 P HA 0.079 nan 4.420 nan 0.000 0.259 111 P C 0.116 177.442 177.300 0.043 0.000 1.635 111 P CA 0.103 63.225 63.100 0.037 0.000 1.199 111 P CB -0.436 31.280 31.700 0.026 0.000 1.850 112 T N 4.031 118.618 114.554 0.055 0.000 2.900 112 T HA 0.210 4.560 4.350 -0.000 0.000 0.307 112 T C -2.196 172.544 174.700 0.067 0.000 1.065 112 T CA -1.748 60.386 62.100 0.057 0.000 1.105 112 T CB -0.031 68.877 68.868 0.067 0.000 0.979 112 T HN 0.074 nan 8.240 nan 0.000 0.544 113 P HA 0.374 nan 4.420 nan 0.000 0.276 113 P C -1.182 176.166 177.300 0.080 0.000 1.244 113 P CA -0.486 62.650 63.100 0.060 0.000 0.801 113 P CB 0.823 32.540 31.700 0.027 0.000 1.006 114 V N 2.909 122.881 119.914 0.096 0.000 2.487 114 V HA 0.302 4.422 4.120 -0.000 0.000 0.298 114 V C 0.165 176.340 176.094 0.135 0.000 1.028 114 V CA -0.702 61.672 62.300 0.123 0.000 0.860 114 V CB 1.493 33.401 31.823 0.140 0.000 0.991 114 V HN 0.388 nan 8.190 nan 0.000 0.427 115 L N 5.883 127.203 121.223 0.162 0.000 2.280 115 L HA 0.558 4.898 4.340 -0.000 0.000 0.287 115 L C -0.722 176.395 176.870 0.412 0.000 1.023 115 L CA -0.591 54.389 54.840 0.232 0.000 0.819 115 L CB 1.814 43.930 42.059 0.095 0.000 1.212 115 L HN 0.363 nan 8.230 nan 0.000 0.420 116 V N 3.609 123.792 119.914 0.449 0.000 2.347 116 V HA 0.244 4.364 4.120 -0.000 0.000 0.280 116 V C -0.335 175.987 176.094 0.380 0.000 1.021 116 V CA -0.576 61.936 62.300 0.353 0.000 0.847 116 V CB 1.615 33.533 31.823 0.158 0.000 0.990 116 V HN 0.696 nan 8.190 nan 0.000 0.444 117 W N 6.947 128.248 121.300 0.002 0.000 2.351 117 W HA 0.635 5.295 4.660 -0.000 0.000 0.311 117 W C -1.270 175.072 176.519 -0.295 0.000 1.168 117 W CA -0.859 56.251 57.345 -0.391 0.000 1.200 117 W CB 1.248 30.517 29.460 -0.318 0.000 1.221 117 W HN 0.429 nan 8.180 nan 0.000 0.519 118 I N 9.136 128.997 120.570 -1.182 0.000 2.405 118 I HA 0.045 4.215 4.170 -0.000 0.000 0.280 118 I C -0.241 175.008 176.117 -1.447 0.000 1.027 118 I CA -1.055 59.600 61.300 -1.074 0.000 1.161 118 I CB 0.549 38.135 38.000 -0.690 0.000 1.300 118 I HN 0.288 nan 8.210 nan 0.000 0.463 119 Y N 4.832 124.519 120.300 -1.022 0.000 2.683 119 Y HA 0.481 5.031 4.550 -0.000 0.000 0.340 119 Y C 0.801 176.434 175.900 -0.444 0.000 1.245 119 Y CA -0.851 56.764 58.100 -0.809 0.000 1.485 119 Y CB -0.304 37.904 38.460 -0.420 0.000 1.328 119 Y HN 0.504 nan 8.280 nan 0.000 0.603 120 G N -0.141 108.586 108.800 -0.122 0.000 2.531 120 G HA2 0.493 4.453 3.960 -0.000 0.000 0.281 120 G HA3 0.493 4.453 3.960 -0.000 0.000 0.281 120 G C 0.304 175.104 174.900 -0.167 0.000 1.382 120 G CA -0.862 44.143 45.100 -0.159 0.000 1.045 120 G HN 1.776 nan 8.290 nan 0.000 0.533 121 G N -2.806 105.771 108.800 -0.371 0.000 2.321 121 G HA2 0.412 4.372 3.960 -0.000 0.000 0.177 121 G HA3 0.412 4.372 3.960 -0.000 0.000 0.177 121 G C 1.032 175.437 174.900 -0.826 0.000 1.072 121 G CA 0.643 45.412 45.100 -0.552 0.000 0.768 121 G HN 2.315 nan 8.290 nan 0.000 0.481 122 G N -0.429 107.848 108.800 -0.871 0.000 2.200 122 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.267 122 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.267 122 G C 0.951 175.556 174.900 -0.493 0.000 0.993 122 G CA 0.909 45.233 45.100 -1.295 0.000 0.701 122 G HN 1.862 nan 8.290 nan 0.000 0.524 123 F N -3.147 116.675 119.950 -0.213 0.000 2.973 123 F HA -0.290 4.237 4.527 -0.000 0.000 0.299 123 F C 1.314 177.171 175.800 0.095 0.000 0.737 123 F CA 2.105 60.069 58.000 -0.060 0.000 1.151 123 F CB -2.086 36.767 39.000 -0.246 0.000 1.440 123 F HN 0.996 nan 8.300 nan 0.000 0.367 124 Y N -1.135 119.197 120.300 0.053 0.000 2.563 124 Y HA 0.649 5.199 4.550 -0.000 0.000 0.250 124 Y C 0.347 176.331 175.900 0.141 0.000 1.126 124 Y CA 0.082 58.258 58.100 0.128 0.000 1.231 124 Y CB 0.064 38.547 38.460 0.038 0.000 1.288 124 Y HN 0.133 nan 8.280 nan 0.000 0.537 125 S N -0.699 114.782 115.700 -0.366 0.000 2.611 125 S HA 0.813 5.283 4.470 -0.000 0.000 0.268 125 S C -0.276 174.087 174.600 -0.396 0.000 1.156 125 S CA -0.471 57.518 58.200 -0.352 0.000 0.817 125 S CB 1.300 64.152 63.200 -0.580 0.000 1.122 125 S HN 1.526 nan 8.310 nan 0.000 0.466 126 G N -0.547 108.001 108.800 -0.420 0.000 2.576 126 G HA2 0.524 4.484 3.960 -0.000 0.000 0.686 126 G HA3 0.524 4.484 3.960 -0.000 0.000 0.686 126 G C -0.580 173.597 174.900 -1.205 0.000 1.242 126 G CA -0.198 44.515 45.100 -0.645 0.000 0.819 126 G HN 2.054 nan 8.290 nan 0.000 0.655 127 A N 0.183 122.444 122.820 -0.931 0.000 2.475 127 A HA 0.963 5.283 4.320 -0.000 0.000 0.301 127 A C 1.206 178.680 177.584 -0.184 0.000 1.059 127 A CA 0.718 52.343 52.037 -0.687 0.000 0.710 127 A CB 1.448 20.257 19.000 -0.319 0.000 1.288 127 A HN 2.430 nan 8.150 nan 0.000 0.408 128 S N 0.286 116.110 115.700 0.206 0.000 2.507 128 S HA -0.112 4.358 4.470 -0.000 0.000 0.235 128 S C 1.364 175.994 174.600 0.049 0.000 0.988 128 S CA 1.631 60.048 58.200 0.362 0.000 0.944 128 S CB -0.521 62.924 63.200 0.409 0.000 0.762 128 S HN 1.616 nan 8.310 nan 0.000 0.526 129 S N 0.827 116.341 115.700 -0.311 0.000 2.631 129 S HA 0.337 4.807 4.470 -0.000 0.000 0.217 129 S C 0.550 174.749 174.600 -0.667 0.000 0.958 129 S CA -0.600 56.965 58.200 -1.058 0.000 0.920 129 S CB -0.697 61.965 63.200 -0.897 0.000 0.776 129 S HN 0.505 nan 8.310 nan 0.000 0.517 130 L N 1.821 122.861 121.223 -0.305 0.000 2.467 130 L HA 0.173 4.513 4.340 -0.000 0.000 0.270 130 L C 1.268 177.901 176.870 -0.394 0.000 1.205 130 L CA -0.456 54.162 54.840 -0.369 0.000 0.828 130 L CB 0.252 42.009 42.059 -0.503 0.000 1.101 130 L HN 0.082 nan 8.230 nan 0.000 0.479 131 D N 0.819 120.999 120.400 -0.366 0.000 2.117 131 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 131 D C 1.985 178.080 176.300 -0.341 0.000 0.987 131 D CA 1.024 54.865 54.000 -0.266 0.000 0.829 131 D CB 0.014 40.677 40.800 -0.227 0.000 0.961 131 D HN 0.383 nan 8.370 nan 0.000 0.460 132 V N 0.118 119.693 119.914 -0.564 0.000 2.982 132 V HA -0.210 3.910 4.120 -0.000 0.000 0.265 132 V C 0.831 176.459 176.094 -0.778 0.000 1.122 132 V CA 1.130 63.036 62.300 -0.657 0.000 1.143 132 V CB -1.045 30.246 31.823 -0.886 0.000 0.726 132 V HN 0.197 nan 8.190 nan 0.000 0.507 133 Y N -0.897 119.038 120.300 -0.608 0.000 2.681 133 Y HA 0.421 4.971 4.550 -0.000 0.000 0.267 133 Y C 0.688 176.258 175.900 -0.550 0.000 1.166 133 Y CA -1.961 55.507 58.100 -1.054 0.000 1.209 133 Y CB -0.462 37.643 38.460 -0.593 0.000 1.161 133 Y HN 0.130 nan 8.280 nan 0.000 0.534 134 D N 0.684 120.984 120.400 -0.167 0.000 2.412 134 D HA 0.027 4.667 4.640 -0.000 0.000 0.257 134 D C 1.461 177.540 176.300 -0.369 0.000 1.217 134 D CA 0.637 54.559 54.000 -0.131 0.000 0.897 134 D CB 1.489 42.275 40.800 -0.024 0.000 1.132 134 D HN 0.544 nan 8.370 nan 0.000 0.493 135 G N 4.499 112.503 108.800 -1.327 0.000 2.448 135 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.219 135 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.219 135 G C 1.562 175.919 174.900 -0.905 0.000 1.127 135 G CA 0.901 45.169 45.100 -1.387 0.000 0.766 135 G HN 0.644 nan 8.290 nan 0.000 0.552 136 R N -0.254 119.707 120.500 -0.899 0.000 2.113 136 R HA -0.146 4.194 4.340 -0.000 0.000 0.244 136 R C 2.119 178.097 176.300 -0.537 0.000 1.142 136 R CA 2.010 57.747 56.100 -0.604 0.000 0.953 136 R CB -1.012 28.914 30.300 -0.624 0.000 0.860 136 R HN 0.384 nan 8.270 nan 0.000 0.438 137 F N 0.709 120.570 119.950 -0.147 0.000 2.293 137 F HA -0.004 4.523 4.527 -0.000 0.000 0.300 137 F C 2.134 177.861 175.800 -0.121 0.000 1.086 137 F CA 0.468 58.400 58.000 -0.113 0.000 1.375 137 F CB -0.116 38.815 39.000 -0.115 0.000 1.045 137 F HN 0.049 nan 8.300 nan 0.000 0.516 138 L N -0.995 120.202 121.223 -0.042 0.000 2.592 138 L HA 0.151 4.491 4.340 -0.000 0.000 0.227 138 L C 1.271 178.097 176.870 -0.073 0.000 1.127 138 L CA 0.479 55.265 54.840 -0.090 0.000 0.884 138 L CB 0.070 41.989 42.059 -0.234 0.000 1.065 138 L HN -0.055 nan 8.230 nan 0.000 0.457 139 V N -1.115 118.758 119.914 -0.069 0.000 2.806 139 V HA -0.032 4.088 4.120 -0.000 0.000 0.239 139 V C 2.139 178.243 176.094 0.017 0.000 1.113 139 V CA 0.950 63.240 62.300 -0.016 0.000 1.137 139 V CB 0.343 32.172 31.823 0.010 0.000 0.865 139 V HN 0.463 nan 8.190 nan 0.000 0.482 140 Q N 1.315 121.117 119.800 0.005 0.000 2.170 140 Q HA -0.104 4.236 4.340 -0.000 0.000 0.203 140 Q C 1.684 177.710 176.000 0.042 0.000 0.976 140 Q CA 2.132 57.954 55.803 0.031 0.000 0.858 140 Q CB -0.126 28.622 28.738 0.017 0.000 0.907 140 Q HN 0.569 nan 8.270 nan 0.000 0.433 141 A N -0.256 122.588 122.820 0.040 0.000 2.379 141 A HA 0.135 4.455 4.320 -0.000 0.000 0.236 141 A C 0.658 178.257 177.584 0.026 0.000 1.272 141 A CA 0.021 52.082 52.037 0.040 0.000 0.886 141 A CB 0.333 19.364 19.000 0.052 0.000 0.962 141 A HN 0.263 nan 8.150 nan 0.000 0.504 142 E N -0.512 119.701 120.200 0.022 0.000 2.671 142 E HA 0.063 4.413 4.350 -0.000 0.000 0.204 142 E C -0.599 176.014 176.600 0.022 0.000 0.940 142 E CA -0.235 56.175 56.400 0.016 0.000 1.328 142 E CB 0.196 29.899 29.700 0.005 0.000 1.214 142 E HN 0.493 nan 8.360 nan 0.000 0.624 143 R N 1.590 122.110 120.500 0.034 0.000 3.092 143 R HA -0.128 4.211 4.340 -0.000 0.000 0.245 143 R C -0.144 176.186 176.300 0.049 0.000 0.881 143 R CA 1.322 57.450 56.100 0.048 0.000 0.614 143 R CB -2.392 27.936 30.300 0.046 0.000 1.128 143 R HN 0.261 nan 8.270 nan 0.000 0.483 144 T N -3.596 110.988 114.554 0.051 0.000 2.940 144 T HA 0.641 4.991 4.350 -0.000 0.000 0.288 144 T C 0.333 175.095 174.700 0.102 0.000 1.045 144 T CA -0.959 61.179 62.100 0.063 0.000 1.018 144 T CB 2.575 71.466 68.868 0.038 0.000 1.151 144 T HN -0.001 nan 8.240 nan 0.000 0.529 145 V N 2.144 122.132 119.914 0.124 0.000 2.394 145 V HA 0.430 4.550 4.120 -0.000 0.000 0.282 145 V C -0.418 175.787 176.094 0.184 0.000 1.031 145 V CA -0.919 61.481 62.300 0.166 0.000 0.881 145 V CB 1.296 33.226 31.823 0.177 0.000 0.982 145 V HN 0.720 nan 8.190 nan 0.000 0.451 146 L N 6.987 128.358 121.223 0.246 0.000 2.298 146 L HA 0.614 4.953 4.340 -0.000 0.000 0.284 146 L C -0.689 176.447 176.870 0.442 0.000 1.013 146 L CA -0.183 54.849 54.840 0.319 0.000 0.824 146 L CB 1.758 43.960 42.059 0.239 0.000 1.221 146 L HN 0.467 nan 8.230 nan 0.000 0.418 147 V N 3.809 123.950 119.914 0.378 0.000 2.417 147 V HA 0.549 4.669 4.120 -0.000 0.000 0.291 147 V C 0.186 176.505 176.094 0.376 0.000 1.024 147 V CA -0.588 61.909 62.300 0.328 0.000 0.861 147 V CB 1.599 33.542 31.823 0.201 0.000 0.985 147 V HN 0.881 nan 8.190 nan 0.000 0.436 148 S N 5.917 121.878 115.700 0.435 0.000 2.502 148 S HA 0.847 5.316 4.470 -0.000 0.000 0.304 148 S C -0.569 174.158 174.600 0.212 0.000 1.097 148 S CA -0.807 57.622 58.200 0.382 0.000 1.045 148 S CB 2.019 65.592 63.200 0.623 0.000 1.019 148 S HN 0.814 nan 8.310 nan 0.000 0.481 149 M N 1.684 121.325 119.600 0.068 0.000 2.644 149 M HA 0.631 5.111 4.480 -0.000 0.000 0.316 149 M C -1.397 175.014 176.300 0.184 0.000 1.200 149 M CA -0.491 54.829 55.300 0.034 0.000 0.944 149 M CB 0.913 33.367 32.600 -0.242 0.000 1.691 149 M HN 0.514 nan 8.290 nan 0.000 0.471 150 N N 2.183 121.096 118.700 0.355 0.000 2.509 150 N HA 0.617 5.357 4.740 -0.000 0.000 0.287 150 N C -1.529 174.229 175.510 0.414 0.000 1.121 150 N CA 0.071 53.360 53.050 0.399 0.000 0.977 150 N CB 0.834 39.527 38.487 0.343 0.000 1.167 150 N HN 0.732 nan 8.380 nan 0.000 0.476 151 Y N -1.904 118.546 120.300 0.251 0.000 2.544 151 Y HA 0.522 5.072 4.550 -0.000 0.000 0.342 151 Y C -0.299 175.747 175.900 0.243 0.000 1.062 151 Y CA -1.294 56.926 58.100 0.201 0.000 1.023 151 Y CB 0.882 39.410 38.460 0.114 0.000 1.308 151 Y HN 0.202 nan 8.280 nan 0.000 0.457 152 R N 2.335 122.972 120.500 0.229 0.000 2.502 152 R HA 0.402 4.742 4.340 -0.000 0.000 0.292 152 R C -0.037 176.446 176.300 0.306 0.000 0.998 152 R CA 0.079 56.276 56.100 0.161 0.000 1.056 152 R CB 0.609 30.970 30.300 0.102 0.000 0.939 152 R HN 0.715 nan 8.270 nan 0.000 0.411 153 V N 0.258 120.352 119.914 0.299 0.000 3.204 153 V HA 0.859 4.979 4.120 -0.000 0.000 0.316 153 V C 0.832 177.248 176.094 0.535 0.000 1.160 153 V CA -0.031 62.565 62.300 0.493 0.000 1.044 153 V CB 1.214 33.189 31.823 0.253 0.000 1.136 153 V HN 0.945 nan 8.190 nan 0.000 0.455 154 G N 0.607 109.752 108.800 0.574 0.000 2.564 154 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.309 154 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.309 154 G C 1.153 176.265 174.900 0.354 0.000 1.320 154 G CA 1.429 46.837 45.100 0.513 0.000 0.941 154 G HN 2.324 nan 8.290 nan 0.000 0.543 155 A N -1.477 121.292 122.820 -0.084 0.000 2.032 155 A HA 0.124 4.444 4.320 -0.000 0.000 0.221 155 A C 2.219 179.663 177.584 -0.233 0.000 1.165 155 A CA 2.507 54.118 52.037 -0.710 0.000 0.645 155 A CB -0.470 17.828 19.000 -1.171 0.000 0.807 155 A HN 0.822 nan 8.150 nan 0.000 0.453 156 F N -0.457 119.518 119.950 0.041 0.000 2.365 156 F HA 0.071 4.598 4.527 -0.000 0.000 0.300 156 F C 2.354 178.143 175.800 -0.018 0.000 1.090 156 F CA 1.059 59.052 58.000 -0.011 0.000 1.408 156 F CB -0.177 38.795 39.000 -0.046 0.000 1.060 156 F HN 0.308 nan 8.300 nan 0.000 0.534 157 G N -2.516 106.378 108.800 0.158 0.000 2.848 157 G HA2 0.074 4.034 3.960 -0.000 0.000 0.213 157 G HA3 0.074 4.034 3.960 -0.000 0.000 0.213 157 G C 0.905 175.377 174.900 -0.713 0.000 1.101 157 G CA 0.113 45.065 45.100 -0.248 0.000 0.778 157 G HN 0.335 nan 8.290 nan 0.000 0.536 158 F N -0.415 119.627 119.950 0.154 0.000 2.880 158 F HA 0.428 4.955 4.527 -0.000 0.000 0.346 158 F C 0.616 176.487 175.800 0.117 0.000 1.054 158 F CA -0.742 57.329 58.000 0.118 0.000 1.151 158 F CB 0.649 39.734 39.000 0.141 0.000 1.066 158 F HN -0.067 nan 8.300 nan 0.000 0.566 159 L N 2.148 123.420 121.223 0.081 0.000 2.540 159 L HA 0.486 4.826 4.340 -0.000 0.000 0.276 159 L C -0.143 176.699 176.870 -0.047 0.000 1.212 159 L CA 0.104 54.914 54.840 -0.050 0.000 0.893 159 L CB 0.421 42.160 42.059 -0.533 0.000 1.138 159 L HN 0.084 nan 8.230 nan 0.000 0.491 160 A N 5.607 128.439 122.820 0.020 0.000 2.455 160 A HA 0.653 4.973 4.320 -0.000 0.000 0.300 160 A C -1.421 176.144 177.584 -0.032 0.000 1.040 160 A CA -0.583 51.440 52.037 -0.025 0.000 0.697 160 A CB 1.464 20.473 19.000 0.015 0.000 1.265 160 A HN 0.579 nan 8.150 nan 0.000 0.407 161 L N 3.830 125.013 121.223 -0.066 0.000 2.426 161 L HA 0.429 4.769 4.340 -0.000 0.000 0.255 161 L C -2.354 174.496 176.870 -0.033 0.000 1.080 161 L CA -2.140 52.667 54.840 -0.054 0.000 0.960 161 L CB 0.755 42.762 42.059 -0.085 0.000 1.326 161 L HN 0.386 nan 8.230 nan 0.000 0.441 162 P HA 0.352 nan 4.420 nan 0.000 0.269 162 P C 0.859 178.156 177.300 -0.006 0.000 1.209 162 P CA 0.579 63.675 63.100 -0.007 0.000 0.776 162 P CB 1.135 32.834 31.700 -0.003 0.000 0.876 163 G N 1.451 110.252 108.800 0.001 0.000 2.527 163 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 163 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 163 G C 0.475 175.376 174.900 0.001 0.000 1.177 163 G CA 0.314 45.415 45.100 0.002 0.000 0.695 163 G HN 0.909 nan 8.290 nan 0.000 0.517 164 S N 0.283 115.979 115.700 -0.006 0.000 2.580 164 S HA 0.481 4.951 4.470 -0.000 0.000 0.266 164 S C 0.969 175.570 174.600 0.001 0.000 1.354 164 S CA 0.952 59.149 58.200 -0.006 0.000 1.008 164 S CB 1.637 64.827 63.200 -0.018 0.000 0.898 164 S HN 0.707 nan 8.310 nan 0.000 0.555 165 R N -0.132 120.372 120.500 0.006 0.000 2.334 165 R HA 0.209 4.549 4.340 -0.000 0.000 0.216 165 R C 1.254 177.566 176.300 0.020 0.000 0.905 165 R CA 0.324 56.433 56.100 0.015 0.000 1.064 165 R CB 0.023 30.333 30.300 0.017 0.000 1.046 165 R HN 0.800 nan 8.270 nan 0.000 0.508 166 E N -0.496 119.711 120.200 0.011 0.000 2.216 166 E HA 0.179 4.529 4.350 -0.000 0.000 0.192 166 E C -0.308 176.309 176.600 0.028 0.000 0.973 166 E CA 0.713 57.128 56.400 0.025 0.000 0.851 166 E CB 0.992 30.703 29.700 0.018 0.000 0.804 166 E HN 0.207 nan 8.360 nan 0.000 0.477 167 A N 0.971 123.775 122.820 -0.027 0.000 2.842 167 A HA 0.382 4.702 4.320 -0.000 0.000 0.339 167 A C -2.257 175.309 177.584 -0.031 0.000 1.177 167 A CA -1.240 50.761 52.037 -0.060 0.000 0.797 167 A CB 0.500 19.369 19.000 -0.219 0.000 1.094 167 A HN -0.077 nan 8.150 nan 0.000 0.474 168 P HA 0.159 nan 4.420 nan 0.000 0.229 168 P C 0.927 178.236 177.300 0.015 0.000 1.160 168 P CA 1.651 64.761 63.100 0.016 0.000 0.777 168 P CB 0.256 31.977 31.700 0.035 0.000 0.814 169 G N 0.035 108.836 108.800 0.002 0.000 2.707 169 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.686 169 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.686 169 G C -0.392 174.487 174.900 -0.035 0.000 1.315 169 G CA -0.387 44.713 45.100 -0.000 0.000 0.832 169 G HN 0.143 nan 8.290 nan 0.000 0.573 170 N N -2.140 116.530 118.700 -0.050 0.000 2.696 170 N HA -0.263 4.477 4.740 -0.000 0.000 0.249 170 N C 1.719 177.080 175.510 -0.248 0.000 1.090 170 N CA 2.076 55.038 53.050 -0.146 0.000 0.716 170 N CB -1.591 36.764 38.487 -0.219 0.000 1.020 170 N HN 1.930 nan 8.380 nan 0.000 0.548 171 V N -2.957 116.766 119.914 -0.318 0.000 2.719 171 V HA 0.081 4.201 4.120 -0.000 0.000 0.252 171 V C 2.263 178.220 176.094 -0.228 0.000 1.065 171 V CA 1.956 64.137 62.300 -0.197 0.000 1.086 171 V CB -0.605 31.162 31.823 -0.094 0.000 0.700 171 V HN 0.271 nan 8.190 nan 0.000 0.467 172 G N 0.981 109.421 108.800 -0.601 0.000 2.446 172 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 172 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 172 G C 1.529 176.477 174.900 0.080 0.000 1.168 172 G CA 1.446 46.452 45.100 -0.156 0.000 0.771 172 G HN 0.538 nan 8.290 nan 0.000 0.551 173 L N -0.141 121.087 121.223 0.008 0.000 2.017 173 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 173 L C 2.938 179.907 176.870 0.165 0.000 1.073 173 L CA 0.626 55.443 54.840 -0.039 0.000 0.745 173 L CB -0.509 41.219 42.059 -0.552 0.000 0.894 173 L HN 0.172 nan 8.230 nan 0.000 0.432 174 L N -0.386 120.924 121.223 0.146 0.000 2.081 174 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 174 L C 2.295 179.294 176.870 0.216 0.000 1.080 174 L CA 1.117 56.097 54.840 0.234 0.000 0.754 174 L CB -0.664 41.498 42.059 0.172 0.000 0.893 174 L HN 0.333 nan 8.230 nan 0.000 0.433 175 D N -0.413 120.101 120.400 0.190 0.000 2.097 175 D HA -0.198 4.442 4.640 -0.000 0.000 0.195 175 D C 2.248 178.732 176.300 0.306 0.000 0.989 175 D CA 1.137 55.310 54.000 0.289 0.000 0.827 175 D CB -0.115 40.869 40.800 0.306 0.000 0.966 175 D HN 0.389 nan 8.370 nan 0.000 0.456 176 Q N 0.349 120.253 119.800 0.174 0.000 2.002 176 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 176 Q C 2.293 178.286 176.000 -0.011 0.000 0.988 176 Q CA 1.432 57.250 55.803 0.025 0.000 0.843 176 Q CB -0.040 28.724 28.738 0.044 0.000 0.908 176 Q HN 0.151 nan 8.270 nan 0.000 0.420 177 R N 0.407 120.989 120.500 0.137 0.000 2.115 177 R HA -0.247 4.093 4.340 -0.000 0.000 0.239 177 R C 2.317 178.663 176.300 0.076 0.000 1.133 177 R CA 1.942 58.099 56.100 0.095 0.000 0.935 177 R CB -0.589 29.859 30.300 0.246 0.000 0.853 177 R HN 0.321 nan 8.270 nan 0.000 0.433 178 L N 0.702 122.020 121.223 0.158 0.000 2.079 178 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 178 L C 2.264 179.205 176.870 0.118 0.000 1.081 178 L CA 2.224 57.181 54.840 0.196 0.000 0.752 178 L CB -0.649 41.585 42.059 0.291 0.000 0.896 178 L HN 0.311 nan 8.230 nan 0.000 0.433 179 A N -0.176 122.566 122.820 -0.130 0.000 1.902 179 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 179 A C 2.256 179.762 177.584 -0.129 0.000 1.181 179 A CA 1.981 53.706 52.037 -0.520 0.000 0.623 179 A CB -0.914 17.448 19.000 -1.064 0.000 0.818 179 A HN 0.539 nan 8.150 nan 0.000 0.443 180 L N -0.494 120.670 121.223 -0.099 0.000 1.990 180 L HA -0.317 4.023 4.340 -0.000 0.000 0.213 180 L C 2.925 179.834 176.870 0.064 0.000 1.072 180 L CA 1.966 56.785 54.840 -0.035 0.000 0.755 180 L CB -0.845 41.150 42.059 -0.106 0.000 0.889 180 L HN 0.531 nan 8.230 nan 0.000 0.432 181 Q N -1.291 118.561 119.800 0.087 0.000 2.234 181 Q HA -0.283 4.057 4.340 -0.000 0.000 0.206 181 Q C 1.976 178.080 176.000 0.173 0.000 0.980 181 Q CA 2.088 57.960 55.803 0.115 0.000 0.869 181 Q CB -0.397 28.415 28.738 0.122 0.000 0.912 181 Q HN 0.645 nan 8.270 nan 0.000 0.436 182 W N 0.551 121.856 121.300 0.009 0.000 2.584 182 W HA -0.052 4.608 4.660 -0.000 0.000 0.264 182 W C 1.631 178.179 176.519 0.049 0.000 1.264 182 W CA 0.635 58.007 57.345 0.045 0.000 1.306 182 W CB 0.298 29.786 29.460 0.047 0.000 1.110 182 W HN -0.184 nan 8.180 nan 0.000 0.606 183 V N 1.023 121.130 119.914 0.322 0.000 2.407 183 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 183 V C 2.507 178.621 176.094 0.033 0.000 1.041 183 V CA 1.655 64.082 62.300 0.211 0.000 1.040 183 V CB -0.834 31.120 31.823 0.218 0.000 0.671 183 V HN 0.125 nan 8.190 nan 0.000 0.455 184 Q N 0.732 120.551 119.800 0.031 0.000 1.967 184 Q HA -0.274 4.066 4.340 -0.000 0.000 0.210 184 Q C 2.034 177.996 176.000 -0.064 0.000 1.005 184 Q CA 2.056 57.860 55.803 0.001 0.000 0.862 184 Q CB -0.688 28.057 28.738 0.013 0.000 0.939 184 Q HN 0.718 nan 8.270 nan 0.000 0.417 185 E N 0.086 120.221 120.200 -0.109 0.000 2.510 185 E HA -0.083 4.267 4.350 -0.000 0.000 0.202 185 E C 0.818 177.236 176.600 -0.303 0.000 1.072 185 E CA 0.267 56.563 56.400 -0.173 0.000 0.883 185 E CB 0.057 29.667 29.700 -0.151 0.000 0.818 185 E HN 0.321 nan 8.360 nan 0.000 0.548 186 N N -0.982 117.499 118.700 -0.365 0.000 1.893 186 N HA -0.044 4.696 4.740 -0.000 0.000 0.232 186 N C 1.191 176.599 175.510 -0.170 0.000 1.392 186 N CA 0.171 52.936 53.050 -0.475 0.000 0.801 186 N CB 0.609 38.358 38.487 -1.229 0.000 1.084 186 N HN -0.008 nan 8.380 nan 0.000 0.479 187 V N 2.019 121.911 119.914 -0.037 0.000 2.307 187 V HA -0.122 3.998 4.120 -0.000 0.000 0.245 187 V C 2.353 178.600 176.094 0.255 0.000 1.045 187 V CA 2.393 64.831 62.300 0.229 0.000 1.024 187 V CB -0.632 31.291 31.823 0.167 0.000 0.651 187 V HN 0.264 nan 8.190 nan 0.000 0.449 188 A N 0.750 123.623 122.820 0.088 0.000 1.886 188 A HA -0.415 3.905 4.320 -0.000 0.000 0.240 188 A C 2.351 179.941 177.584 0.009 0.000 1.875 188 A CA 3.507 55.563 52.037 0.032 0.000 0.760 188 A CB -1.706 17.278 19.000 -0.026 0.000 0.849 188 A HN 1.371 nan 8.150 nan 0.000 0.505 189 A N -2.876 119.885 122.820 -0.098 0.000 2.277 189 A HA 0.291 4.611 4.320 -0.000 0.000 0.208 189 A C 1.386 178.738 177.584 -0.385 0.000 1.202 189 A CA 1.288 53.162 52.037 -0.271 0.000 0.762 189 A CB -0.694 18.053 19.000 -0.421 0.000 0.770 189 A HN 0.590 nan 8.150 nan 0.000 0.487 190 F N -2.931 117.040 119.950 0.035 0.000 2.752 190 F HA 0.411 4.938 4.527 -0.000 0.000 0.310 190 F C 1.825 177.689 175.800 0.107 0.000 1.097 190 F CA 0.629 58.693 58.000 0.107 0.000 1.238 190 F CB 0.816 39.923 39.000 0.177 0.000 1.061 190 F HN 0.305 nan 8.300 nan 0.000 0.591 191 G N -0.269 108.674 108.800 0.239 0.000 3.709 191 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.196 191 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.196 191 G C 0.765 175.755 174.900 0.149 0.000 1.177 191 G CA -0.439 44.763 45.100 0.171 0.000 0.906 191 G HN 0.483 nan 8.290 nan 0.000 0.416 192 G N 0.917 109.831 108.800 0.191 0.000 2.484 192 G HA2 0.389 4.349 3.960 -0.000 0.000 0.235 192 G HA3 0.389 4.349 3.960 -0.000 0.000 0.235 192 G C -0.457 174.509 174.900 0.110 0.000 1.282 192 G CA 0.845 46.034 45.100 0.149 0.000 0.857 192 G HN 0.423 nan 8.290 nan 0.000 0.571 193 D N 2.130 122.587 120.400 0.095 0.000 2.339 193 D HA 0.259 4.899 4.640 -0.000 0.000 0.241 193 D C -1.460 174.902 176.300 0.103 0.000 1.183 193 D CA -2.387 51.661 54.000 0.080 0.000 0.859 193 D CB 1.564 42.400 40.800 0.060 0.000 1.067 193 D HN -0.021 nan 8.370 nan 0.000 0.484 194 P HA -0.082 nan 4.420 nan 0.000 0.226 194 P C 0.196 177.620 177.300 0.207 0.000 1.146 194 P CA 1.081 64.246 63.100 0.108 0.000 0.773 194 P CB 0.153 31.894 31.700 0.067 0.000 0.772 195 T N -2.617 112.067 114.554 0.217 0.000 3.204 195 T HA 0.090 4.440 4.350 -0.000 0.000 0.312 195 T C 0.438 175.353 174.700 0.358 0.000 1.254 195 T CA -0.381 61.923 62.100 0.340 0.000 0.913 195 T CB -0.802 68.048 68.868 -0.029 0.000 2.143 195 T HN -0.057 nan 8.240 nan 0.000 0.569 196 S N 0.301 116.095 115.700 0.157 0.000 3.641 196 S HA -0.112 4.358 4.470 -0.000 0.000 0.153 196 S C -0.493 174.254 174.600 0.246 0.000 0.390 196 S CA -0.366 57.961 58.200 0.213 0.000 1.397 196 S CB -1.541 61.674 63.200 0.024 0.000 1.210 196 S HN 0.538 nan 8.310 nan 0.000 0.278 197 V N 5.587 125.690 119.914 0.315 0.000 2.443 197 V HA 0.491 4.611 4.120 -0.000 0.000 0.293 197 V C 0.162 176.339 176.094 0.139 0.000 1.021 197 V CA -0.452 61.922 62.300 0.124 0.000 0.848 197 V CB 2.406 34.236 31.823 0.011 0.000 0.998 197 V HN 0.798 nan 8.190 nan 0.000 0.424 198 T N 6.768 121.417 114.554 0.158 0.000 2.770 198 T HA 0.549 4.899 4.350 -0.000 0.000 0.283 198 T C -0.273 174.596 174.700 0.281 0.000 0.988 198 T CA -0.409 61.817 62.100 0.210 0.000 0.957 198 T CB 1.144 70.097 68.868 0.141 0.000 0.930 198 T HN 0.322 nan 8.240 nan 0.000 0.443 199 L N 4.996 126.387 121.223 0.279 0.000 2.319 199 L HA 0.561 4.901 4.340 -0.000 0.000 0.280 199 L C -0.623 176.509 176.870 0.436 0.000 1.099 199 L CA -0.616 54.350 54.840 0.211 0.000 0.828 199 L CB 0.282 42.270 42.059 -0.117 0.000 1.150 199 L HN 0.678 nan 8.230 nan 0.000 0.442 200 F N 1.556 121.626 119.950 0.200 0.000 2.578 200 F HA 0.911 5.438 4.527 -0.000 0.000 0.311 200 F C -0.301 175.640 175.800 0.234 0.000 1.094 200 F CA -1.391 56.794 58.000 0.308 0.000 0.923 200 F CB 1.443 40.735 39.000 0.487 0.000 1.230 200 F HN 0.361 nan 8.300 nan 0.000 0.450 201 G N 1.602 110.440 108.800 0.063 0.000 2.692 201 G HA2 0.513 4.473 3.960 -0.000 0.000 0.291 201 G HA3 0.513 4.473 3.960 -0.000 0.000 0.291 201 G C -2.293 172.559 174.900 -0.080 0.000 1.423 201 G CA -0.773 44.047 45.100 -0.467 0.000 0.843 201 G HN 0.778 nan 8.290 nan 0.000 0.486 202 E N 0.114 120.202 120.200 -0.186 0.000 2.221 202 E HA 0.570 4.920 4.350 -0.000 0.000 0.268 202 E C 1.063 177.637 176.600 -0.043 0.000 0.933 202 E CA 0.350 56.770 56.400 0.033 0.000 0.809 202 E CB 2.141 31.943 29.700 0.170 0.000 1.190 202 E HN 0.859 nan 8.360 nan 0.000 0.406 203 S N 2.996 118.722 115.700 0.044 0.000 4.136 203 S HA -0.412 4.058 4.470 -0.000 0.000 0.539 203 S C 1.518 176.208 174.600 0.150 0.000 1.754 203 S CA 2.779 61.079 58.200 0.167 0.000 4.093 203 S CB -1.469 61.850 63.200 0.197 0.000 1.066 203 S HN 0.857 nan 8.310 nan 0.000 0.491 204 A N 1.290 124.066 122.820 -0.074 0.000 2.067 204 A HA 0.297 4.617 4.320 -0.000 0.000 0.219 204 A C 2.645 180.009 177.584 -0.368 0.000 1.158 204 A CA 1.935 53.813 52.037 -0.266 0.000 0.661 204 A CB -1.692 16.692 19.000 -1.027 0.000 0.801 204 A HN 1.641 nan 8.150 nan 0.000 0.452 205 G N -0.306 108.307 108.800 -0.310 0.000 2.442 205 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.219 205 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.219 205 G C 1.659 176.412 174.900 -0.245 0.000 1.141 205 G CA 1.346 46.220 45.100 -0.376 0.000 0.763 205 G HN 0.730 nan 8.290 nan 0.000 0.554 206 A N 1.030 123.792 122.820 -0.097 0.000 1.872 206 A HA 0.419 4.739 4.320 -0.000 0.000 0.214 206 A C 2.777 180.376 177.584 0.024 0.000 1.187 206 A CA 1.969 54.011 52.037 0.009 0.000 0.614 206 A CB -0.712 18.346 19.000 0.098 0.000 0.826 206 A HN 0.725 nan 8.150 nan 0.000 0.442 207 A N -0.943 121.913 122.820 0.060 0.000 2.015 207 A HA 0.010 4.330 4.320 -0.000 0.000 0.219 207 A C 2.373 179.976 177.584 0.033 0.000 1.163 207 A CA 1.768 53.826 52.037 0.035 0.000 0.646 207 A CB -0.756 18.245 19.000 0.002 0.000 0.806 207 A HN 0.410 nan 8.150 nan 0.000 0.448 208 S N -0.445 115.274 115.700 0.031 0.000 2.359 208 S HA -0.180 4.290 4.470 -0.000 0.000 0.222 208 S C 1.964 176.534 174.600 -0.050 0.000 1.038 208 S CA 1.674 59.855 58.200 -0.032 0.000 1.051 208 S CB -0.520 62.593 63.200 -0.146 0.000 0.944 208 S HN 0.354 nan 8.310 nan 0.000 0.433 209 V N 1.481 121.388 119.914 -0.013 0.000 2.250 209 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 209 V C 2.561 178.694 176.094 0.064 0.000 1.060 209 V CA 2.135 64.449 62.300 0.024 0.000 1.030 209 V CB -1.606 30.221 31.823 0.006 0.000 0.643 209 V HN 0.636 nan 8.190 nan 0.000 0.445 210 G N -0.117 108.711 108.800 0.047 0.000 2.574 210 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.220 210 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.220 210 G C 1.472 176.420 174.900 0.079 0.000 1.173 210 G CA 1.688 46.821 45.100 0.055 0.000 0.772 210 G HN 0.460 nan 8.290 nan 0.000 0.585 211 M N -0.051 119.560 119.600 0.019 0.000 2.117 211 M HA -0.054 4.426 4.480 -0.000 0.000 0.262 211 M C 2.307 178.694 176.300 0.145 0.000 1.065 211 M CA 1.224 56.556 55.300 0.053 0.000 1.114 211 M CB -1.421 31.149 32.600 -0.051 0.000 1.361 211 M HN 0.261 nan 8.290 nan 0.000 0.408 212 H N 1.149 120.344 119.070 0.208 0.000 2.426 212 H HA -0.076 4.480 4.556 -0.000 0.000 0.298 212 H C 2.308 177.862 175.328 0.377 0.000 1.107 212 H CA 1.352 57.520 56.048 0.199 0.000 1.298 212 H CB -0.638 29.074 29.762 -0.082 0.000 1.377 212 H HN 0.424 nan 8.280 nan 0.000 0.519 213 L N 0.301 121.816 121.223 0.487 0.000 2.046 213 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 213 L C 2.146 179.221 176.870 0.343 0.000 1.077 213 L CA 1.006 56.126 54.840 0.467 0.000 0.747 213 L CB -0.371 41.908 42.059 0.366 0.000 0.896 213 L HN 0.184 nan 8.230 nan 0.000 0.432 214 L N -1.481 119.903 121.223 0.267 0.000 2.612 214 L HA 0.070 4.410 4.340 -0.000 0.000 0.230 214 L C 0.882 177.826 176.870 0.125 0.000 1.140 214 L CA -0.048 54.915 54.840 0.205 0.000 0.896 214 L CB -0.001 42.163 42.059 0.175 0.000 1.065 214 L HN 0.020 nan 8.230 nan 0.000 0.447 215 S N -0.286 115.478 115.700 0.106 0.000 2.594 215 S HA 0.357 4.827 4.470 -0.000 0.000 0.322 215 S C -1.696 172.869 174.600 -0.059 0.000 1.085 215 S CA -1.517 56.636 58.200 -0.077 0.000 1.116 215 S CB 1.181 64.115 63.200 -0.443 0.000 0.979 215 S HN -0.138 nan 8.310 nan 0.000 0.465 216 P HA -0.127 nan 4.420 nan 0.000 0.217 216 P C -1.602 175.680 177.300 -0.031 0.000 1.162 216 P CA 1.604 64.684 63.100 -0.034 0.000 0.901 216 P CB -0.882 30.792 31.700 -0.043 0.000 0.793 217 P HA -0.149 nan 4.420 nan 0.000 0.215 217 P C 1.624 178.933 177.300 0.015 0.000 1.157 217 P CA 1.852 64.929 63.100 -0.038 0.000 0.874 217 P CB -0.621 31.034 31.700 -0.075 0.000 0.790 218 S N -0.826 114.899 115.700 0.043 0.000 2.382 218 S HA -0.151 4.319 4.470 -0.000 0.000 0.228 218 S C 1.988 176.758 174.600 0.283 0.000 1.027 218 S CA 0.887 59.200 58.200 0.189 0.000 0.991 218 S CB -0.621 62.804 63.200 0.376 0.000 0.823 218 S HN 0.022 nan 8.310 nan 0.000 0.469 219 R N 1.522 122.131 120.500 0.182 0.000 2.103 219 R HA -0.055 4.285 4.340 -0.000 0.000 0.242 219 R C 2.393 178.633 176.300 -0.101 0.000 1.142 219 R CA 1.499 57.613 56.100 0.024 0.000 0.960 219 R CB -1.545 28.753 30.300 -0.003 0.000 0.858 219 R HN 0.506 nan 8.270 nan 0.000 0.439 220 G N -0.252 108.537 108.800 -0.018 0.000 2.564 220 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 220 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 220 G C 1.231 176.122 174.900 -0.015 0.000 1.124 220 G CA 0.421 45.511 45.100 -0.017 0.000 0.764 220 G HN 0.320 nan 8.290 nan 0.000 0.550 221 L N -1.034 120.215 121.223 0.044 0.000 2.664 221 L HA 0.396 4.736 4.340 -0.000 0.000 0.233 221 L C 0.043 176.951 176.870 0.063 0.000 1.113 221 L CA -0.329 54.559 54.840 0.079 0.000 0.896 221 L CB 0.261 42.393 42.059 0.123 0.000 1.163 221 L HN 0.282 nan 8.230 nan 0.000 0.497 222 F N -4.767 115.027 119.950 -0.259 0.000 2.662 222 F HA 0.525 5.052 4.527 -0.000 0.000 0.312 222 F C 0.488 176.116 175.800 -0.286 0.000 1.113 222 F CA -1.080 56.706 58.000 -0.357 0.000 0.951 222 F CB 0.698 39.621 39.000 -0.130 0.000 1.344 222 F HN -0.206 nan 8.300 nan 0.000 0.462 223 H N -0.037 119.026 119.070 -0.012 0.000 2.393 223 H HA 0.435 4.991 4.556 -0.000 0.000 0.301 223 H C -0.029 175.255 175.328 -0.075 0.000 1.019 223 H CA 0.439 56.416 56.048 -0.118 0.000 1.311 223 H CB 0.325 30.049 29.762 -0.064 0.000 1.475 223 H HN 0.426 nan 8.280 nan 0.000 0.572 224 R N 0.174 120.778 120.500 0.174 0.000 2.803 224 R HA 0.719 5.059 4.340 -0.000 0.000 0.276 224 R C -0.927 175.614 176.300 0.401 0.000 0.978 224 R CA -0.753 55.446 56.100 0.165 0.000 0.939 224 R CB 2.571 32.781 30.300 -0.150 0.000 1.179 224 R HN 0.166 nan 8.270 nan 0.000 0.472 225 A N 1.577 124.672 122.820 0.458 0.000 2.355 225 A HA 0.651 4.971 4.320 -0.000 0.000 0.317 225 A C -1.008 176.771 177.584 0.324 0.000 1.094 225 A CA -0.640 51.645 52.037 0.413 0.000 0.764 225 A CB 1.547 20.771 19.000 0.373 0.000 1.230 225 A HN 0.378 nan 8.150 nan 0.000 0.448 226 V N 2.703 122.782 119.914 0.275 0.000 2.487 226 V HA 0.387 4.507 4.120 -0.000 0.000 0.298 226 V C -1.038 175.205 176.094 0.248 0.000 1.028 226 V CA -0.387 62.014 62.300 0.169 0.000 0.860 226 V CB 1.338 33.306 31.823 0.243 0.000 0.991 226 V HN 0.686 nan 8.190 nan 0.000 0.427 227 L N 5.334 126.666 121.223 0.182 0.000 2.321 227 L HA 0.437 4.777 4.340 -0.000 0.000 0.272 227 L C 0.332 177.349 176.870 0.245 0.000 1.050 227 L CA 0.087 55.033 54.840 0.178 0.000 0.893 227 L CB 0.997 43.110 42.059 0.091 0.000 1.272 227 L HN 0.665 nan 8.230 nan 0.000 0.435 228 Q N 1.496 121.506 119.800 0.350 0.000 2.307 228 Q HA 0.374 4.714 4.340 -0.000 0.000 0.259 228 Q C 0.549 176.674 176.000 0.209 0.000 0.998 228 Q CA -0.311 55.721 55.803 0.381 0.000 0.923 228 Q CB 0.662 29.709 28.738 0.514 0.000 1.196 228 Q HN 0.545 nan 8.270 nan 0.000 0.416 229 S N 0.624 116.414 115.700 0.150 0.000 3.586 229 S HA -0.143 4.327 4.470 -0.000 0.000 0.309 229 S C 0.036 174.774 174.600 0.230 0.000 1.195 229 S CA 0.614 58.892 58.200 0.131 0.000 0.895 229 S CB -1.133 62.072 63.200 0.007 0.000 0.983 229 S HN 1.023 nan 8.310 nan 0.000 0.563 230 G N -0.841 108.083 108.800 0.207 0.000 2.632 230 G HA2 0.808 4.768 3.960 -0.000 0.000 0.292 230 G HA3 0.808 4.768 3.960 -0.000 0.000 0.292 230 G C -1.333 173.656 174.900 0.148 0.000 1.465 230 G CA 0.299 45.578 45.100 0.300 0.000 0.824 230 G HN 1.100 nan 8.290 nan 0.000 0.509 231 A N 1.187 124.048 122.820 0.069 0.000 2.572 231 A HA 0.924 5.244 4.320 -0.000 0.000 0.295 231 A C -2.140 175.332 177.584 -0.186 0.000 1.072 231 A CA -1.297 50.709 52.037 -0.052 0.000 0.691 231 A CB 2.228 21.182 19.000 -0.075 0.000 1.291 231 A HN 0.407 nan 8.150 nan 0.000 0.404 232 P HA -0.099 nan 4.420 nan 0.000 0.223 232 P C 0.526 177.664 177.300 -0.270 0.000 1.151 232 P CA 1.058 64.028 63.100 -0.216 0.000 0.787 232 P CB 0.002 31.637 31.700 -0.109 0.000 0.788 233 N N 0.181 118.748 118.700 -0.221 0.000 2.521 233 N HA -0.023 4.717 4.740 -0.000 0.000 0.188 233 N C 1.125 176.442 175.510 -0.322 0.000 1.146 233 N CA 0.266 53.182 53.050 -0.224 0.000 0.893 233 N CB -1.155 37.245 38.487 -0.146 0.000 0.975 233 N HN -0.015 nan 8.380 nan 0.000 0.451 234 G N 2.299 110.819 108.800 -0.467 0.000 2.414 234 G HA2 0.114 4.074 3.960 -0.000 0.000 0.236 234 G HA3 0.114 4.074 3.960 -0.000 0.000 0.236 234 G C -1.074 173.403 174.900 -0.705 0.000 1.293 234 G CA -0.794 43.929 45.100 -0.628 0.000 0.869 234 G HN 0.089 nan 8.290 nan 0.000 0.556 235 P HA -0.120 nan 4.420 nan 0.000 0.222 235 P C 1.236 178.379 177.300 -0.262 0.000 1.142 235 P CA 1.451 64.329 63.100 -0.370 0.000 0.788 235 P CB 0.046 31.514 31.700 -0.387 0.000 0.767 236 W N -1.718 119.440 121.300 -0.237 0.000 3.107 236 W HA 0.598 5.258 4.660 -0.000 0.000 0.293 236 W C 0.965 177.508 176.519 0.040 0.000 1.239 236 W CA 0.401 57.670 57.345 -0.126 0.000 1.653 236 W CB -0.835 28.534 29.460 -0.151 0.000 1.068 236 W HN -0.099 nan 8.180 nan 0.000 0.615 237 A N 1.454 123.947 122.820 -0.545 0.000 2.348 237 A HA 0.296 4.616 4.320 -0.000 0.000 0.224 237 A C 0.752 178.147 177.584 -0.315 0.000 1.227 237 A CA 1.249 52.969 52.037 -0.528 0.000 0.885 237 A CB -0.498 17.773 19.000 -1.216 0.000 0.933 237 A HN 0.169 nan 8.150 nan 0.000 0.506 238 T N -4.559 109.840 114.554 -0.258 0.000 2.840 238 T HA 0.554 4.904 4.350 -0.000 0.000 0.317 238 T C -1.331 173.283 174.700 -0.143 0.000 1.401 238 T CA -0.497 61.474 62.100 -0.215 0.000 1.028 238 T CB 1.415 70.158 68.868 -0.209 0.000 1.317 238 T HN 0.588 nan 8.240 nan 0.000 0.495 239 V N 0.518 120.363 119.914 -0.116 0.000 2.876 239 V HA 0.859 4.979 4.120 -0.000 0.000 0.312 239 V C 0.466 176.520 176.094 -0.067 0.000 1.085 239 V CA -0.032 62.218 62.300 -0.083 0.000 0.945 239 V CB 1.932 33.709 31.823 -0.076 0.000 1.017 239 V HN 1.457 nan 8.190 nan 0.000 0.428 240 G N 4.484 113.250 108.800 -0.056 0.000 2.448 240 G HA2 0.404 4.364 3.960 -0.000 0.000 0.285 240 G HA3 0.404 4.364 3.960 -0.000 0.000 0.285 240 G C 0.905 175.785 174.900 -0.033 0.000 1.176 240 G CA -0.505 44.570 45.100 -0.042 0.000 0.852 240 G HN 0.875 nan 8.290 nan 0.000 0.530 241 M N 1.719 121.305 119.600 -0.023 0.000 2.168 241 M HA -0.235 4.245 4.480 -0.000 0.000 0.248 241 M C 2.494 178.782 176.300 -0.019 0.000 1.086 241 M CA 2.079 57.369 55.300 -0.016 0.000 1.070 241 M CB -1.356 31.237 32.600 -0.011 0.000 1.332 241 M HN 0.628 nan 8.290 nan 0.000 0.399 242 G N 0.712 109.498 108.800 -0.023 0.000 2.639 242 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 242 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 242 G C 1.413 176.295 174.900 -0.030 0.000 1.267 242 G CA 1.074 46.159 45.100 -0.025 0.000 0.801 242 G HN 0.459 nan 8.290 nan 0.000 0.592 243 E N 0.809 120.986 120.200 -0.038 0.000 2.097 243 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 243 E C 3.000 179.572 176.600 -0.047 0.000 1.000 243 E CA 1.077 57.447 56.400 -0.049 0.000 0.804 243 E CB -0.586 29.078 29.700 -0.061 0.000 0.740 243 E HN 0.325 nan 8.360 nan 0.000 0.454 244 A N 1.801 124.601 122.820 -0.033 0.000 1.896 244 A HA -0.302 4.018 4.320 -0.000 0.000 0.220 244 A C 2.224 179.814 177.584 0.009 0.000 1.206 244 A CA 2.609 54.642 52.037 -0.007 0.000 0.647 244 A CB -0.685 18.317 19.000 0.003 0.000 0.828 244 A HN 0.307 nan 8.150 nan 0.000 0.455 245 R N -1.471 119.025 120.500 -0.006 0.000 2.080 245 R HA 0.010 4.350 4.340 -0.000 0.000 0.222 245 R C 2.351 178.645 176.300 -0.010 0.000 1.107 245 R CA 0.888 56.983 56.100 -0.007 0.000 0.980 245 R CB -0.416 29.874 30.300 -0.015 0.000 0.879 245 R HN 0.393 nan 8.270 nan 0.000 0.439 246 R N 0.920 121.407 120.500 -0.021 0.000 2.119 246 R HA -0.142 4.198 4.340 -0.000 0.000 0.246 246 R C 2.010 178.295 176.300 -0.026 0.000 1.146 246 R CA 1.997 58.079 56.100 -0.029 0.000 0.962 246 R CB -0.125 30.151 30.300 -0.039 0.000 0.863 246 R HN 0.337 nan 8.270 nan 0.000 0.442 247 R N -0.897 119.585 120.500 -0.029 0.000 2.080 247 R HA 0.075 4.415 4.340 -0.000 0.000 0.222 247 R C 2.340 178.696 176.300 0.094 0.000 1.107 247 R CA 0.866 56.940 56.100 -0.042 0.000 0.980 247 R CB -0.197 29.991 30.300 -0.188 0.000 0.879 247 R HN 0.200 nan 8.270 nan 0.000 0.439 248 A N 0.653 123.561 122.820 0.148 0.000 1.865 248 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 248 A C 2.133 179.753 177.584 0.059 0.000 1.191 248 A CA 2.219 54.343 52.037 0.145 0.000 0.623 248 A CB -1.089 17.923 19.000 0.020 0.000 0.826 248 A HN 0.281 nan 8.150 nan 0.000 0.444 249 T N -0.281 114.288 114.554 0.025 0.000 2.607 249 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 249 T C 2.066 176.793 174.700 0.046 0.000 1.049 249 T CA 1.943 64.054 62.100 0.019 0.000 1.162 249 T CB -0.427 68.443 68.868 0.002 0.000 0.863 249 T HN 0.594 nan 8.240 nan 0.000 0.424 250 Q N 0.820 120.638 119.800 0.028 0.000 2.268 250 Q HA -0.133 4.206 4.340 -0.000 0.000 0.210 250 Q C 1.932 177.991 176.000 0.098 0.000 0.988 250 Q CA 1.349 57.167 55.803 0.025 0.000 0.883 250 Q CB -0.680 28.052 28.738 -0.009 0.000 0.911 250 Q HN 0.552 nan 8.270 nan 0.000 0.430 251 L N -0.452 120.843 121.223 0.120 0.000 2.071 251 L HA 0.221 4.561 4.340 -0.000 0.000 0.201 251 L C 2.152 179.069 176.870 0.080 0.000 1.076 251 L CA 1.885 56.812 54.840 0.145 0.000 0.755 251 L CB -1.215 40.975 42.059 0.218 0.000 0.915 251 L HN 0.151 nan 8.230 nan 0.000 0.445 252 A N -0.669 122.179 122.820 0.045 0.000 1.940 252 A HA -0.370 3.950 4.320 -0.000 0.000 0.221 252 A C 2.418 180.018 177.584 0.028 0.000 1.190 252 A CA 2.241 54.286 52.037 0.013 0.000 0.647 252 A CB -1.407 17.591 19.000 -0.004 0.000 0.821 252 A HN 0.799 nan 8.150 nan 0.000 0.457 253 H N 0.336 119.386 119.070 -0.034 0.000 2.267 253 H HA -0.109 4.447 4.556 -0.000 0.000 0.297 253 H C 1.684 176.968 175.328 -0.074 0.000 1.080 253 H CA 2.123 58.146 56.048 -0.042 0.000 1.278 253 H CB -0.358 29.386 29.762 -0.029 0.000 1.365 253 H HN 0.375 nan 8.280 nan 0.000 0.489 254 L N 0.674 121.942 121.223 0.075 0.000 2.549 254 L HA -0.023 4.317 4.340 -0.000 0.000 0.229 254 L C 2.328 178.980 176.870 -0.363 0.000 1.158 254 L CA 0.367 55.140 54.840 -0.112 0.000 0.842 254 L CB -0.220 41.801 42.059 -0.064 0.000 0.952 254 L HN 0.054 nan 8.230 nan 0.000 0.452 255 V N 0.187 119.954 119.914 -0.246 0.000 3.376 255 V HA 0.464 4.584 4.120 -0.000 0.000 0.313 255 V C 0.896 176.908 176.094 -0.137 0.000 1.393 255 V CA 0.345 62.508 62.300 -0.228 0.000 1.125 255 V CB -0.556 31.217 31.823 -0.084 0.000 1.037 255 V HN 0.592 nan 8.190 nan 0.000 0.440 256 G N 0.747 109.443 108.800 -0.174 0.000 3.138 256 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.685 256 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.685 256 G C -0.182 174.660 174.900 -0.097 0.000 0.995 256 G CA -0.171 44.843 45.100 -0.144 0.000 0.849 256 G HN 2.193 nan 8.290 nan 0.000 0.537 257 C N 1.157 120.400 119.300 -0.095 0.000 0.262 257 C HA 0.326 4.786 4.460 -0.000 0.000 0.026 257 C C -2.049 172.921 174.990 -0.034 0.000 0.179 257 C CA -0.479 58.509 59.018 -0.051 0.000 0.502 257 C CB -0.978 26.743 27.740 -0.032 0.000 3.207 257 C HN 1.511 nan 8.230 nan 0.000 1.113 265 N N -0.134 118.564 118.700 -0.004 0.000 2.383 265 N HA 0.161 4.901 4.740 -0.000 0.000 0.288 265 N C 0.921 176.424 175.510 -0.010 0.000 1.320 265 N CA 0.708 53.754 53.050 -0.007 0.000 0.941 265 N CB 0.613 39.096 38.487 -0.006 0.000 1.078 265 N HN 0.514 nan 8.380 nan 0.000 0.509 266 D N -0.986 119.405 120.400 -0.016 0.000 4.541 266 D HA -0.296 4.344 4.640 -0.000 0.000 0.226 266 D C 1.392 177.678 176.300 -0.024 0.000 0.548 266 D CA 3.476 57.461 54.000 -0.025 0.000 1.208 266 D CB -1.464 39.322 40.800 -0.022 0.000 0.737 266 D HN 0.711 nan 8.370 nan 0.000 0.401 267 T N 0.580 115.125 114.554 -0.015 0.000 2.731 267 T HA -0.343 4.007 4.350 -0.000 0.000 0.259 267 T C 1.628 176.325 174.700 -0.004 0.000 1.054 267 T CA 2.300 64.397 62.100 -0.006 0.000 1.158 267 T CB -0.443 68.425 68.868 0.000 0.000 0.847 267 T HN 0.404 nan 8.240 nan 0.000 0.470 268 E N -0.010 120.186 120.200 -0.006 0.000 2.047 268 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 268 E C 2.251 178.846 176.600 -0.008 0.000 0.987 268 E CA 0.842 57.240 56.400 -0.004 0.000 0.799 268 E CB -0.178 29.520 29.700 -0.004 0.000 0.752 268 E HN 0.314 nan 8.360 nan 0.000 0.449 269 L N 0.442 121.655 121.223 -0.018 0.000 1.989 269 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 269 L C 2.399 179.246 176.870 -0.039 0.000 1.071 269 L CA 1.357 56.180 54.840 -0.029 0.000 0.749 269 L CB -0.511 41.524 42.059 -0.041 0.000 0.890 269 L HN 0.005 nan 8.230 nan 0.000 0.431 270 V N -0.480 119.404 119.914 -0.051 0.000 2.261 270 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 270 V C 2.563 178.677 176.094 0.032 0.000 1.047 270 V CA 1.817 64.085 62.300 -0.054 0.000 1.015 270 V CB -1.083 30.703 31.823 -0.062 0.000 0.642 270 V HN 0.578 nan 8.190 nan 0.000 0.446 271 A N -1.892 120.947 122.820 0.030 0.000 2.119 271 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 271 A C 2.075 179.683 177.584 0.039 0.000 1.152 271 A CA 1.222 53.288 52.037 0.048 0.000 0.708 271 A CB -0.835 18.186 19.000 0.035 0.000 0.805 271 A HN 0.601 nan 8.150 nan 0.000 0.460 272 C N -1.107 118.207 119.300 0.023 0.000 2.573 272 C HA 0.407 4.867 4.460 -0.000 0.000 0.273 272 C C 1.605 176.609 174.990 0.024 0.000 1.346 272 C CA 0.919 59.946 59.018 0.016 0.000 1.702 272 C CB -1.595 26.145 27.740 0.001 0.000 1.751 272 C HN 0.553 nan 8.230 nan 0.000 0.583 273 L N -0.651 120.604 121.223 0.054 0.000 3.017 273 L HA 0.414 4.753 4.340 -0.000 0.000 0.265 273 L C 2.116 179.076 176.870 0.151 0.000 1.128 273 L CA 0.749 55.639 54.840 0.082 0.000 0.984 273 L CB -0.514 41.572 42.059 0.046 0.000 1.464 273 L HN 0.006 nan 8.230 nan 0.000 0.556 274 R N -0.885 119.708 120.500 0.155 0.000 2.339 274 R HA 0.005 4.345 4.340 -0.000 0.000 0.199 274 R C 1.433 177.752 176.300 0.032 0.000 1.018 274 R CA 1.363 57.517 56.100 0.090 0.000 1.036 274 R CB -0.213 30.134 30.300 0.079 0.000 0.899 274 R HN 0.521 nan 8.270 nan 0.000 0.473 275 T N -2.471 112.104 114.554 0.036 0.000 3.037 275 T HA 0.186 4.536 4.350 -0.000 0.000 0.251 275 T C 0.869 175.578 174.700 0.016 0.000 1.079 275 T CA -0.299 61.812 62.100 0.019 0.000 1.067 275 T CB 0.321 69.200 68.868 0.018 0.000 0.948 275 T HN -0.117 nan 8.240 nan 0.000 0.496 276 R N 2.510 123.024 120.500 0.023 0.000 2.441 276 R HA 0.390 4.730 4.340 -0.000 0.000 0.284 276 R C -2.720 173.587 176.300 0.012 0.000 1.070 276 R CA -2.176 53.939 56.100 0.024 0.000 1.047 276 R CB -0.186 30.136 30.300 0.036 0.000 1.016 276 R HN 0.209 nan 8.270 nan 0.000 0.477 277 P HA -0.031 nan 4.420 nan 0.000 0.266 277 P C 0.321 177.597 177.300 -0.039 0.000 1.195 277 P CA 0.310 63.396 63.100 -0.022 0.000 0.768 277 P CB 0.595 32.294 31.700 -0.002 0.000 0.838 278 A N 3.375 126.107 122.820 -0.147 0.000 1.873 278 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 278 A C 2.011 179.506 177.584 -0.149 0.000 1.193 278 A CA 1.514 53.436 52.037 -0.192 0.000 0.629 278 A CB -1.236 17.220 19.000 -0.907 0.000 0.826 278 A HN 0.513 nan 8.150 nan 0.000 0.447 279 Q N -0.436 119.237 119.800 -0.212 0.000 2.308 279 Q HA -0.131 4.209 4.340 -0.000 0.000 0.209 279 Q C 2.162 178.218 176.000 0.094 0.000 0.985 279 Q CA 1.520 57.348 55.803 0.041 0.000 0.881 279 Q CB -0.466 28.339 28.738 0.112 0.000 0.917 279 Q HN 0.547 nan 8.270 nan 0.000 0.443 280 V N 0.087 120.050 119.914 0.082 0.000 2.331 280 V HA -0.179 3.941 4.120 -0.000 0.000 0.242 280 V C 2.407 178.616 176.094 0.191 0.000 1.034 280 V CA 0.747 63.126 62.300 0.131 0.000 1.027 280 V CB -0.499 31.404 31.823 0.134 0.000 0.667 280 V HN 0.257 nan 8.190 nan 0.000 0.457 281 L N 0.064 121.371 121.223 0.140 0.000 2.010 281 L HA -0.269 4.071 4.340 -0.000 0.000 0.219 281 L C 2.522 179.482 176.870 0.149 0.000 1.077 281 L CA 1.793 56.689 54.840 0.093 0.000 0.773 281 L CB -0.851 41.145 42.059 -0.105 0.000 0.892 281 L HN 0.224 nan 8.230 nan 0.000 0.436 282 V N 0.154 120.198 119.914 0.218 0.000 2.392 282 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 282 V C 1.848 178.095 176.094 0.254 0.000 1.059 282 V CA 2.381 64.857 62.300 0.294 0.000 1.051 282 V CB -0.923 31.131 31.823 0.384 0.000 0.658 282 V HN 0.565 nan 8.190 nan 0.000 0.455 283 N N -0.844 117.942 118.700 0.143 0.000 2.512 283 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 283 N C 1.388 176.855 175.510 -0.071 0.000 1.073 283 N CA 0.808 53.879 53.050 0.035 0.000 0.911 283 N CB -0.147 38.259 38.487 -0.135 0.000 0.964 283 N HN 0.656 nan 8.380 nan 0.000 0.447 284 H N -0.499 118.703 119.070 0.220 0.000 2.586 284 H HA 0.190 4.746 4.556 -0.000 0.000 0.273 284 H C 1.286 176.722 175.328 0.179 0.000 0.997 284 H CA -0.169 56.033 56.048 0.258 0.000 1.177 284 H CB 0.499 30.400 29.762 0.231 0.000 1.471 284 H HN 0.184 nan 8.280 nan 0.000 0.538 285 E N 0.487 120.793 120.200 0.176 0.000 2.065 285 E HA -0.239 4.111 4.350 -0.000 0.000 0.201 285 E C 0.907 177.419 176.600 -0.147 0.000 1.016 285 E CA 1.506 57.939 56.400 0.054 0.000 0.818 285 E CB -0.065 29.566 29.700 -0.114 0.000 0.749 285 E HN 0.608 nan 8.360 nan 0.000 0.453 286 W N -0.352 120.859 121.300 -0.147 0.000 2.519 286 W HA -0.055 4.605 4.660 -0.000 0.000 0.266 286 W C 1.911 178.327 176.519 -0.172 0.000 1.253 286 W CA 0.731 57.920 57.345 -0.260 0.000 1.274 286 W CB -0.152 29.045 29.460 -0.439 0.000 1.114 286 W HN 0.301 nan 8.180 nan 0.000 0.596 287 H N -0.757 118.435 119.070 0.202 0.000 2.567 287 H HA -0.069 4.487 4.556 -0.000 0.000 0.276 287 H C 1.886 177.266 175.328 0.086 0.000 1.016 287 H CA 1.095 57.236 56.048 0.155 0.000 1.186 287 H CB -0.046 29.832 29.762 0.194 0.000 1.351 287 H HN 0.108 nan 8.280 nan 0.000 0.605 288 V N -1.405 118.573 119.914 0.107 0.000 3.444 288 V HA 0.225 4.345 4.120 -0.000 0.000 0.308 288 V C 0.212 176.272 176.094 -0.057 0.000 1.371 288 V CA -0.149 62.164 62.300 0.020 0.000 1.141 288 V CB -0.427 31.383 31.823 -0.021 0.000 1.037 288 V HN 0.127 nan 8.190 nan 0.000 0.433 289 L N 1.850 123.059 121.223 -0.023 0.000 2.305 289 L HA 0.406 4.746 4.340 -0.000 0.000 0.281 289 L C -0.553 176.305 176.870 -0.020 0.000 1.085 289 L CA -1.555 53.258 54.840 -0.045 0.000 0.813 289 L CB 1.493 43.555 42.059 0.005 0.000 1.157 289 L HN 0.111 nan 8.230 nan 0.000 0.436 290 P HA -0.227 nan 4.420 nan 0.000 0.222 290 P C -0.254 177.036 177.300 -0.017 0.000 1.159 290 P CA 1.531 64.611 63.100 -0.032 0.000 0.920 290 P CB 0.056 31.732 31.700 -0.041 0.000 0.793 291 Q N -2.104 117.688 119.800 -0.014 0.000 2.707 291 Q HA 0.284 4.624 4.340 -0.000 0.000 0.307 291 Q C -0.808 175.189 176.000 -0.006 0.000 0.934 291 Q CA -0.807 54.991 55.803 -0.008 0.000 0.753 291 Q CB 0.883 29.613 28.738 -0.014 0.000 1.478 291 Q HN 0.025 nan 8.270 nan 0.000 0.458 292 E N 0.845 121.041 120.200 -0.007 0.000 2.376 292 E HA 0.372 4.721 4.350 -0.000 0.000 0.266 292 E C -0.953 175.629 176.600 -0.030 0.000 1.009 292 E CA 0.364 56.756 56.400 -0.013 0.000 0.902 292 E CB 0.535 30.228 29.700 -0.013 0.000 0.972 292 E HN 0.620 nan 8.360 nan 0.000 0.439 293 S N 1.794 117.471 115.700 -0.039 0.000 2.565 293 S HA 0.349 4.819 4.470 -0.000 0.000 0.274 293 S C -1.313 173.244 174.600 -0.071 0.000 1.144 293 S CA -1.056 57.110 58.200 -0.056 0.000 0.849 293 S CB 1.546 64.712 63.200 -0.058 0.000 1.103 293 S HN 0.305 nan 8.310 nan 0.000 0.455 294 V N 3.321 123.189 119.914 -0.078 0.000 2.667 294 V HA 0.787 4.907 4.120 -0.000 0.000 0.308 294 V C -0.538 175.492 176.094 -0.106 0.000 1.048 294 V CA -0.463 61.791 62.300 -0.077 0.000 0.928 294 V CB 1.129 32.932 31.823 -0.034 0.000 1.004 294 V HN 1.400 nan 8.190 nan 0.000 0.444 295 F N 5.404 125.097 119.950 -0.428 0.000 2.905 295 F HA -0.130 4.397 4.527 -0.000 0.000 0.291 295 F C -0.078 175.225 175.800 -0.828 0.000 1.002 295 F CA 0.648 58.167 58.000 -0.801 0.000 0.978 295 F CB -0.548 37.904 39.000 -0.912 0.000 1.036 295 F HN 0.594 nan 8.300 nan 0.000 0.820 296 R N 0.968 121.035 120.500 -0.722 0.000 2.651 296 R HA 0.676 5.016 4.340 -0.000 0.000 0.278 296 R C -1.156 174.698 176.300 -0.744 0.000 1.010 296 R CA -0.617 55.129 56.100 -0.589 0.000 0.896 296 R CB 1.622 31.796 30.300 -0.210 0.000 1.211 296 R HN 0.011 nan 8.270 nan 0.000 0.456 297 F N -0.910 119.131 119.950 0.151 0.000 2.588 297 F HA 0.358 4.885 4.527 -0.000 0.000 0.310 297 F C 1.383 177.082 175.800 -0.168 0.000 1.082 297 F CA -0.763 57.235 58.000 -0.004 0.000 0.929 297 F CB 2.002 41.121 39.000 0.199 0.000 1.254 297 F HN 0.359 nan 8.300 nan 0.000 0.455 298 S N 0.468 116.003 115.700 -0.275 0.000 2.357 298 S HA 0.032 4.502 4.470 -0.000 0.000 0.221 298 S C 0.074 174.289 174.600 -0.641 0.000 1.031 298 S CA 0.987 58.854 58.200 -0.555 0.000 0.982 298 S CB -0.183 62.487 63.200 -0.884 0.000 0.853 298 S HN 0.333 nan 8.310 nan 0.000 0.458 299 F N 2.265 122.233 119.950 0.030 0.000 2.332 299 F HA 0.552 5.079 4.527 -0.000 0.000 0.368 299 F C 0.125 175.980 175.800 0.092 0.000 1.110 299 F CA -1.010 57.046 58.000 0.095 0.000 1.087 299 F CB 0.945 40.031 39.000 0.143 0.000 1.235 299 F HN -0.079 nan 8.300 nan 0.000 0.470 300 V N 1.099 121.045 119.914 0.052 0.000 3.158 300 V HA 0.778 4.898 4.120 -0.000 0.000 0.311 300 V C -2.886 172.993 176.094 -0.359 0.000 1.181 300 V CA -3.282 58.799 62.300 -0.364 0.000 1.054 300 V CB 2.045 33.745 31.823 -0.204 0.000 1.085 300 V HN 0.264 nan 8.190 nan 0.000 0.446 301 P HA 0.284 nan 4.420 nan 0.000 0.270 301 P C -0.905 176.285 177.300 -0.184 0.000 1.223 301 P CA 0.148 63.055 63.100 -0.323 0.000 0.785 301 P CB 0.769 32.158 31.700 -0.519 0.000 0.923 302 V N 3.017 122.875 119.914 -0.094 0.000 2.680 302 V HA 0.230 4.350 4.120 -0.000 0.000 0.309 302 V C -0.414 175.654 176.094 -0.043 0.000 1.052 302 V CA -0.919 61.348 62.300 -0.056 0.000 0.908 302 V CB 2.283 34.100 31.823 -0.011 0.000 1.001 302 V HN 0.144 nan 8.190 nan 0.000 0.431 303 V N 6.617 126.508 119.914 -0.038 0.000 2.229 303 V HA 0.172 4.292 4.120 -0.000 0.000 0.245 303 V C 0.893 176.989 176.094 0.004 0.000 1.243 303 V CA 0.128 62.420 62.300 -0.013 0.000 1.176 303 V CB -0.306 31.505 31.823 -0.021 0.000 1.323 303 V HN 1.027 nan 8.190 nan 0.000 0.499 304 D N 2.244 122.657 120.400 0.022 0.000 2.333 304 D HA 0.104 4.744 4.640 -0.000 0.000 0.208 304 D C 1.642 177.961 176.300 0.030 0.000 0.984 304 D CA 0.989 55.004 54.000 0.025 0.000 0.873 304 D CB 0.352 41.173 40.800 0.034 0.000 0.935 304 D HN 0.662 nan 8.370 nan 0.000 0.521 305 G N 0.397 109.221 108.800 0.040 0.000 2.194 305 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.236 305 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.236 305 G C 0.631 175.560 174.900 0.047 0.000 0.987 305 G CA 0.465 45.586 45.100 0.036 0.000 0.635 305 G HN 0.460 nan 8.290 nan 0.000 0.520 306 D N -0.479 119.963 120.400 0.071 0.000 2.306 306 D HA 0.134 4.774 4.640 -0.000 0.000 0.239 306 D C 2.019 178.386 176.300 0.112 0.000 1.105 306 D CA 0.801 54.850 54.000 0.082 0.000 0.950 306 D CB -0.103 40.753 40.800 0.092 0.000 1.036 306 D HN 0.216 nan 8.370 nan 0.000 0.428 307 F N 0.920 120.878 119.950 0.014 0.000 2.146 307 F HA 0.041 4.568 4.527 -0.000 0.000 0.298 307 F C 0.731 176.537 175.800 0.009 0.000 1.096 307 F CA 0.654 58.664 58.000 0.017 0.000 1.275 307 F CB 0.072 39.079 39.000 0.012 0.000 1.008 307 F HN -0.039 nan 8.300 nan 0.000 0.480 308 L N 0.952 122.385 121.223 0.350 0.000 2.287 308 L HA 0.192 4.532 4.340 -0.000 0.000 0.280 308 L C 1.632 178.562 176.870 0.101 0.000 1.055 308 L CA -0.009 54.955 54.840 0.208 0.000 0.863 308 L CB -0.168 41.981 42.059 0.150 0.000 1.245 308 L HN 0.182 nan 8.230 nan 0.000 0.432 309 S N 2.434 118.172 115.700 0.065 0.000 2.409 309 S HA -0.198 4.272 4.470 -0.000 0.000 0.237 309 S C 0.681 175.299 174.600 0.030 0.000 1.060 309 S CA 2.168 60.389 58.200 0.035 0.000 1.052 309 S CB 0.070 63.281 63.200 0.019 0.000 0.871 309 S HN 0.780 nan 8.310 nan 0.000 0.465 310 D N -1.904 118.515 120.400 0.033 0.000 2.725 310 D HA 0.275 4.915 4.640 -0.000 0.000 0.292 310 D C -0.952 175.356 176.300 0.014 0.000 1.288 310 D CA 0.338 54.350 54.000 0.019 0.000 0.784 310 D CB 1.038 41.847 40.800 0.015 0.000 1.308 310 D HN 0.148 nan 8.370 nan 0.000 0.429 311 T N 0.315 114.868 114.554 -0.002 0.000 2.923 311 T HA 0.143 4.493 4.350 -0.000 0.000 0.304 311 T C -1.547 173.146 174.700 -0.012 0.000 1.044 311 T CA -0.300 61.788 62.100 -0.019 0.000 1.141 311 T CB 0.832 69.681 68.868 -0.031 0.000 1.023 311 T HN 0.199 nan 8.240 nan 0.000 0.533 312 P HA -0.026 nan 4.420 nan 0.000 0.223 312 P C 1.221 178.517 177.300 -0.005 0.000 1.151 312 P CA 0.824 63.918 63.100 -0.009 0.000 0.787 312 P CB 0.088 31.762 31.700 -0.044 0.000 0.788 313 E N 0.583 120.766 120.200 -0.029 0.000 2.015 313 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 313 E C 2.011 178.617 176.600 0.011 0.000 0.991 313 E CA 1.241 57.629 56.400 -0.020 0.000 0.802 313 E CB -0.608 29.068 29.700 -0.041 0.000 0.759 313 E HN 0.056 nan 8.360 nan 0.000 0.447 314 A N 1.056 123.881 122.820 0.008 0.000 1.927 314 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 314 A C 2.154 179.764 177.584 0.043 0.000 1.185 314 A CA 1.600 53.650 52.037 0.020 0.000 0.639 314 A CB -0.736 18.270 19.000 0.011 0.000 0.820 314 A HN 0.336 nan 8.150 nan 0.000 0.451 315 L N -0.718 120.537 121.223 0.053 0.000 2.056 315 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 315 L C 2.408 179.368 176.870 0.151 0.000 1.078 315 L CA 1.463 56.353 54.840 0.083 0.000 0.749 315 L CB -0.574 41.538 42.059 0.089 0.000 0.901 315 L HN 0.421 nan 8.230 nan 0.000 0.433 316 I N -0.850 119.810 120.570 0.150 0.000 2.179 316 I HA -0.334 3.836 4.170 -0.000 0.000 0.242 316 I C 2.170 178.420 176.117 0.222 0.000 1.088 316 I CA 0.916 62.336 61.300 0.200 0.000 1.357 316 I CB -0.231 37.804 38.000 0.058 0.000 1.051 316 I HN 0.357 nan 8.210 nan 0.000 0.409 317 N N 1.430 120.204 118.700 0.124 0.000 1.997 317 N HA -0.138 4.602 4.740 -0.000 0.000 0.198 317 N C 1.001 176.585 175.510 0.123 0.000 1.070 317 N CA 1.680 54.793 53.050 0.105 0.000 0.864 317 N CB -0.585 37.939 38.487 0.062 0.000 1.066 317 N HN 0.278 nan 8.380 nan 0.000 0.425 318 A N 0.182 123.054 122.820 0.087 0.000 3.026 318 A HA 0.527 4.847 4.320 -0.000 0.000 0.272 318 A C 0.408 178.016 177.584 0.039 0.000 1.782 318 A CA 0.297 52.369 52.037 0.058 0.000 1.451 318 A CB -1.028 17.992 19.000 0.032 0.000 1.081 318 A HN 0.344 nan 8.150 nan 0.000 0.611 319 G N 0.162 108.990 108.800 0.047 0.000 2.746 319 G HA2 0.455 4.415 3.960 -0.000 0.000 0.297 319 G HA3 0.455 4.415 3.960 -0.000 0.000 0.297 319 G C -1.669 173.014 174.900 -0.360 0.000 1.426 319 G CA -0.490 44.507 45.100 -0.172 0.000 0.989 319 G HN 0.271 nan 8.290 nan 0.000 0.520 320 D N 0.862 120.982 120.400 -0.467 0.000 2.249 320 D HA 0.368 5.008 4.640 -0.000 0.000 0.246 320 D C -0.483 175.449 176.300 -0.614 0.000 1.114 320 D CA -0.358 53.445 54.000 -0.329 0.000 0.854 320 D CB 1.073 41.821 40.800 -0.086 0.000 1.132 320 D HN 0.120 nan 8.370 nan 0.000 0.461 321 F N 2.205 122.136 119.950 -0.032 0.000 2.764 321 F HA 0.142 4.669 4.527 -0.000 0.000 0.310 321 F C 0.966 176.739 175.800 -0.045 0.000 1.124 321 F CA -0.669 57.314 58.000 -0.028 0.000 1.252 321 F CB 0.068 39.054 39.000 -0.023 0.000 1.010 321 F HN 0.297 nan 8.300 nan 0.000 0.518 322 H N 0.293 119.426 119.070 0.105 0.000 2.948 322 H HA 0.237 4.793 4.556 -0.000 0.000 0.351 322 H C 1.432 176.798 175.328 0.064 0.000 1.079 322 H CA 1.530 57.627 56.048 0.082 0.000 1.407 322 H CB 0.797 30.583 29.762 0.039 0.000 1.373 322 H HN 0.518 nan 8.280 nan 0.000 0.605 323 G N 2.264 111.169 108.800 0.174 0.000 2.176 323 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.253 323 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.253 323 G C 0.146 175.087 174.900 0.069 0.000 0.979 323 G CA 0.060 45.216 45.100 0.093 0.000 0.641 323 G HN 0.545 nan 8.290 nan 0.000 0.530 324 L N 1.007 122.294 121.223 0.107 0.000 2.287 324 L HA 0.649 4.988 4.340 -0.000 0.000 0.287 324 L C -0.416 176.520 176.870 0.109 0.000 1.022 324 L CA -0.767 54.139 54.840 0.110 0.000 0.814 324 L CB 1.233 43.404 42.059 0.186 0.000 1.217 324 L HN 0.216 nan 8.230 nan 0.000 0.420 325 Q N 4.131 123.976 119.800 0.075 0.000 2.282 325 Q HA 0.612 4.952 4.340 -0.000 0.000 0.260 325 Q C -0.776 175.440 176.000 0.360 0.000 0.964 325 Q CA -0.441 55.433 55.803 0.119 0.000 0.880 325 Q CB 2.547 31.245 28.738 -0.066 0.000 1.286 325 Q HN 0.440 nan 8.270 nan 0.000 0.445 326 V N 0.816 120.962 119.914 0.387 0.000 2.808 326 V HA 0.734 4.854 4.120 -0.000 0.000 0.308 326 V C -2.025 173.957 176.094 -0.187 0.000 1.099 326 V CA -1.059 61.384 62.300 0.239 0.000 0.920 326 V CB 1.907 33.808 31.823 0.130 0.000 1.014 326 V HN 0.691 nan 8.190 nan 0.000 0.425 327 L N 7.613 128.448 121.223 -0.646 0.000 2.294 327 L HA 0.867 5.207 4.340 -0.000 0.000 0.283 327 L C -0.247 176.514 176.870 -0.182 0.000 1.015 327 L CA -0.069 54.350 54.840 -0.702 0.000 0.831 327 L CB 1.359 42.472 42.059 -1.577 0.000 1.217 327 L HN 1.084 nan 8.230 nan 0.000 0.420 328 V N 2.248 122.160 119.914 -0.004 0.000 3.103 328 V HA 1.139 5.259 4.120 -0.000 0.000 0.318 328 V C -0.051 175.936 176.094 -0.178 0.000 1.114 328 V CA 0.101 62.406 62.300 0.009 0.000 1.020 328 V CB 1.428 33.204 31.823 -0.078 0.000 1.085 328 V HN 1.039 nan 8.190 nan 0.000 0.446 329 G N 0.022 108.516 108.800 -0.510 0.000 2.489 329 G HA2 0.678 4.638 3.960 -0.000 0.000 0.291 329 G HA3 0.678 4.638 3.960 -0.000 0.000 0.291 329 G C -1.207 173.327 174.900 -0.609 0.000 1.487 329 G CA 0.068 44.322 45.100 -1.410 0.000 0.795 329 G HN 1.928 nan 8.290 nan 0.000 0.513 330 V N -1.854 117.818 119.914 -0.403 0.000 3.155 330 V HA 0.936 5.056 4.120 -0.000 0.000 0.313 330 V C 0.656 176.819 176.094 0.115 0.000 1.162 330 V CA -0.414 61.848 62.300 -0.064 0.000 1.048 330 V CB 1.075 32.869 31.823 -0.047 0.000 1.092 330 V HN 1.729 nan 8.190 nan 0.000 0.447 331 V N -0.897 119.123 119.914 0.177 0.000 3.336 331 V HA 0.623 4.743 4.120 -0.000 0.000 0.314 331 V C 1.488 177.717 176.094 0.225 0.000 1.088 331 V CA 0.178 62.643 62.300 0.275 0.000 1.033 331 V CB 1.034 33.005 31.823 0.247 0.000 1.181 331 V HN 1.060 nan 8.190 nan 0.000 0.449 332 K N 0.371 120.925 120.400 0.256 0.000 2.002 332 K HA -0.079 4.241 4.320 -0.000 0.000 0.209 332 K C 0.557 177.263 176.600 0.177 0.000 1.048 332 K CA 2.152 58.557 56.287 0.197 0.000 0.930 332 K CB -0.218 32.398 32.500 0.192 0.000 0.714 332 K HN 0.907 nan 8.250 nan 0.000 0.438 333 D N 1.318 121.827 120.400 0.181 0.000 2.458 333 D HA 0.045 4.685 4.640 -0.000 0.000 0.258 333 D C 0.089 176.507 176.300 0.197 0.000 1.134 333 D CA -0.217 53.890 54.000 0.179 0.000 0.915 333 D CB 1.546 42.439 40.800 0.155 0.000 1.028 333 D HN 0.162 nan 8.370 nan 0.000 0.508 334 E N 1.727 122.063 120.200 0.226 0.000 2.015 334 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 334 E C 2.142 178.955 176.600 0.356 0.000 0.991 334 E CA 0.836 57.419 56.400 0.305 0.000 0.802 334 E CB -0.249 29.622 29.700 0.286 0.000 0.759 334 E HN 0.559 nan 8.360 nan 0.000 0.447 335 G N 1.822 110.798 108.800 0.294 0.000 2.529 335 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.219 335 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.219 335 G C 1.780 176.841 174.900 0.269 0.000 1.177 335 G CA 2.598 47.871 45.100 0.289 0.000 0.773 335 G HN 0.419 nan 8.290 nan 0.000 0.573 336 S N 0.459 116.286 115.700 0.211 0.000 2.401 336 S HA -0.406 4.064 4.470 -0.000 0.000 0.236 336 S C 2.156 176.767 174.600 0.019 0.000 1.058 336 S CA 2.056 60.356 58.200 0.167 0.000 1.151 336 S CB -1.163 62.075 63.200 0.062 0.000 1.049 336 S HN 0.623 nan 8.310 nan 0.000 0.432 337 Y N 1.952 122.079 120.300 -0.288 0.000 2.228 337 Y HA -0.178 4.371 4.550 -0.000 0.000 0.285 337 Y C 1.836 177.436 175.900 -0.499 0.000 1.178 337 Y CA 1.610 59.354 58.100 -0.594 0.000 1.202 337 Y CB -0.610 37.370 38.460 -0.800 0.000 0.974 337 Y HN 0.301 nan 8.280 nan 0.000 0.527 338 F N -0.758 119.085 119.950 -0.178 0.000 2.367 338 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 338 F C 2.050 177.744 175.800 -0.177 0.000 1.094 338 F CA 0.639 58.474 58.000 -0.274 0.000 1.409 338 F CB -0.254 38.622 39.000 -0.206 0.000 1.064 338 F HN -0.008 nan 8.300 nan 0.000 0.528 339 L N 0.042 121.244 121.223 -0.034 0.000 2.131 339 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 339 L C 2.469 179.294 176.870 -0.074 0.000 1.092 339 L CA 1.131 55.821 54.840 -0.251 0.000 0.759 339 L CB -0.888 40.743 42.059 -0.713 0.000 0.903 339 L HN 0.167 nan 8.230 nan 0.000 0.435 340 V N -4.176 115.797 119.914 0.099 0.000 3.305 340 V HA -0.213 3.907 4.120 -0.000 0.000 0.269 340 V C 1.211 177.318 176.094 0.022 0.000 1.157 340 V CA 0.921 63.338 62.300 0.194 0.000 1.157 340 V CB -1.276 30.748 31.823 0.335 0.000 0.772 340 V HN 0.350 nan 8.190 nan 0.000 0.498 341 Y N 1.731 121.963 120.300 -0.114 0.000 2.801 341 Y HA 0.642 5.192 4.550 -0.000 0.000 0.340 341 Y C 1.607 177.435 175.900 -0.120 0.000 1.088 341 Y CA 0.122 58.138 58.100 -0.139 0.000 1.444 341 Y CB 0.278 38.622 38.460 -0.193 0.000 1.251 341 Y HN 0.414 nan 8.280 nan 0.000 0.522 342 G N -0.845 107.969 108.800 0.022 0.000 2.559 342 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.202 342 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.202 342 G C -0.017 174.887 174.900 0.006 0.000 0.992 342 G CA -0.386 44.712 45.100 -0.003 0.000 0.764 342 G HN 0.436 nan 8.290 nan 0.000 0.525 343 A N 1.509 124.329 122.820 0.001 0.000 2.409 343 A HA 0.689 5.009 4.320 -0.000 0.000 0.262 343 A C -1.830 175.881 177.584 0.211 0.000 1.113 343 A CA -1.081 50.979 52.037 0.039 0.000 0.790 343 A CB 0.027 18.930 19.000 -0.162 0.000 1.046 343 A HN 0.073 nan 8.150 nan 0.000 0.496 344 P HA 0.068 nan 4.420 nan 0.000 0.257 344 P C 1.050 178.457 177.300 0.178 0.000 1.162 344 P CA 2.117 65.297 63.100 0.134 0.000 0.762 344 P CB 0.258 32.011 31.700 0.089 0.000 0.753 345 G N 1.940 110.793 108.800 0.089 0.000 2.176 345 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.232 345 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.232 345 G C -0.203 174.597 174.900 -0.168 0.000 0.986 345 G CA -0.597 44.469 45.100 -0.056 0.000 0.643 345 G HN 0.407 nan 8.290 nan 0.000 0.522 346 F N 1.400 121.338 119.950 -0.020 0.000 2.436 346 F HA 0.783 5.310 4.527 -0.000 0.000 0.340 346 F C 0.572 176.422 175.800 0.082 0.000 1.113 346 F CA -0.225 57.774 58.000 -0.001 0.000 1.022 346 F CB 2.293 41.328 39.000 0.058 0.000 1.128 346 F HN 0.077 nan 8.300 nan 0.000 0.466 347 S N 1.672 117.547 115.700 0.292 0.000 2.564 347 S HA 0.272 4.742 4.470 -0.000 0.000 0.274 347 S C 0.587 175.478 174.600 0.485 0.000 1.124 347 S CA -0.854 57.557 58.200 0.353 0.000 0.869 347 S CB 1.433 64.756 63.200 0.206 0.000 1.105 347 S HN 0.736 nan 8.310 nan 0.000 0.472 348 K N 1.699 122.317 120.400 0.363 0.000 2.103 348 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 348 K C 0.529 177.175 176.600 0.076 0.000 1.048 348 K CA 2.208 58.569 56.287 0.122 0.000 0.930 348 K CB -0.153 32.025 32.500 -0.536 0.000 0.716 348 K HN 0.457 nan 8.250 nan 0.000 0.444 349 D N 0.324 120.753 120.400 0.048 0.000 2.271 349 D HA -0.030 4.610 4.640 -0.000 0.000 0.206 349 D C 0.469 176.808 176.300 0.066 0.000 0.967 349 D CA 0.746 54.754 54.000 0.013 0.000 0.867 349 D CB -0.096 40.700 40.800 -0.007 0.000 0.960 349 D HN 0.566 nan 8.370 nan 0.000 0.509 350 N N -0.178 118.578 118.700 0.092 0.000 2.818 350 N HA 0.102 4.842 4.740 -0.000 0.000 0.312 350 N C 0.613 176.161 175.510 0.063 0.000 1.368 350 N CA -0.342 52.736 53.050 0.045 0.000 0.817 350 N CB 0.368 38.839 38.487 -0.026 0.000 1.116 350 N HN -0.360 nan 8.380 nan 0.000 0.519 351 E N -0.816 119.320 120.200 -0.105 0.000 2.501 351 E HA 0.137 4.487 4.350 -0.000 0.000 0.200 351 E C -0.504 175.716 176.600 -0.634 0.000 1.016 351 E CA -0.261 55.997 56.400 -0.237 0.000 0.921 351 E CB -0.213 29.407 29.700 -0.133 0.000 1.034 351 E HN 0.539 nan 8.360 nan 0.000 0.468 352 S N 0.800 116.127 115.700 -0.620 0.000 3.311 352 S HA -0.207 4.263 4.470 -0.000 0.000 0.373 352 S C 0.653 174.724 174.600 -0.881 0.000 0.945 352 S CA 0.269 57.952 58.200 -0.861 0.000 1.238 352 S CB -1.458 61.008 63.200 -1.223 0.000 0.893 352 S HN 0.362 nan 8.310 nan 0.000 0.478 353 L N 1.741 122.642 121.223 -0.536 0.000 2.416 353 L HA 0.212 4.552 4.340 -0.000 0.000 0.243 353 L C 1.151 177.821 176.870 -0.334 0.000 1.373 353 L CA -0.293 54.316 54.840 -0.386 0.000 1.227 353 L CB -0.582 41.329 42.059 -0.246 0.000 1.428 353 L HN 0.548 nan 8.230 nan 0.000 0.425 354 I N -1.650 118.668 120.570 -0.419 0.000 3.161 354 I HA 0.112 4.282 4.170 -0.000 0.000 0.284 354 I C 0.876 176.915 176.117 -0.129 0.000 1.252 354 I CA -0.214 60.924 61.300 -0.268 0.000 1.374 354 I CB 0.543 38.388 38.000 -0.259 0.000 1.359 354 I HN 0.375 nan 8.210 nan 0.000 0.606 355 S N 3.010 118.670 115.700 -0.066 0.000 2.687 355 S HA 0.376 4.846 4.470 -0.000 0.000 0.283 355 S C 0.808 175.420 174.600 0.020 0.000 1.170 355 S CA -0.702 57.478 58.200 -0.034 0.000 1.008 355 S CB 1.867 65.054 63.200 -0.021 0.000 1.026 355 S HN 0.862 nan 8.310 nan 0.000 0.541 356 R N 0.720 121.223 120.500 0.005 0.000 2.105 356 R HA -0.099 4.241 4.340 -0.000 0.000 0.239 356 R C 2.208 178.582 176.300 0.123 0.000 1.135 356 R CA 1.714 57.840 56.100 0.043 0.000 0.967 356 R CB -1.054 29.243 30.300 -0.005 0.000 0.861 356 R HN 0.843 nan 8.270 nan 0.000 0.442 357 A N 0.382 123.245 122.820 0.072 0.000 1.930 357 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 357 A C 1.920 179.554 177.584 0.083 0.000 1.175 357 A CA 1.553 53.633 52.037 0.072 0.000 0.627 357 A CB -0.380 18.645 19.000 0.041 0.000 0.815 357 A HN 0.513 nan 8.150 nan 0.000 0.443 358 E N -1.629 118.622 120.200 0.083 0.000 2.208 358 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 358 E C 1.561 178.248 176.600 0.145 0.000 0.988 358 E CA 0.846 57.299 56.400 0.089 0.000 0.828 358 E CB -0.171 29.564 29.700 0.058 0.000 0.763 358 E HN 0.709 nan 8.360 nan 0.000 0.478 359 F N 1.001 120.972 119.950 0.035 0.000 2.060 359 F HA -0.172 4.355 4.527 0.000 0.000 0.295 359 F C 1.762 177.587 175.800 0.042 0.000 1.120 359 F CA 1.361 59.393 58.000 0.052 0.000 1.205 359 F CB -0.265 38.749 39.000 0.022 0.000 0.986 359 F HN -0.092 nan 8.300 nan 0.000 0.470 360 L N 0.520 121.810 121.223 0.113 0.000 2.081 360 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 360 L C 2.779 179.604 176.870 -0.074 0.000 1.080 360 L CA 1.400 56.232 54.840 -0.014 0.000 0.754 360 L CB -1.551 40.565 42.059 0.095 0.000 0.893 360 L HN 0.287 nan 8.230 nan 0.000 0.433 361 A N 0.553 123.361 122.820 -0.019 0.000 1.865 361 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 361 A C 2.486 180.031 177.584 -0.063 0.000 1.191 361 A CA 1.916 53.941 52.037 -0.021 0.000 0.623 361 A CB -1.504 17.505 19.000 0.015 0.000 0.826 361 A HN 0.436 nan 8.150 nan 0.000 0.444 362 G N -0.779 107.973 108.800 -0.079 0.000 2.442 362 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.219 362 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.219 362 G C 1.476 176.249 174.900 -0.212 0.000 1.141 362 G CA 1.167 46.202 45.100 -0.107 0.000 0.763 362 G HN 0.336 nan 8.290 nan 0.000 0.554 363 V N 0.690 120.401 119.914 -0.338 0.000 2.490 363 V HA -0.113 4.007 4.120 -0.000 0.000 0.250 363 V C 2.849 178.841 176.094 -0.170 0.000 1.061 363 V CA 1.543 63.658 62.300 -0.308 0.000 1.064 363 V CB -0.326 31.282 31.823 -0.357 0.000 0.670 363 V HN 0.239 nan 8.190 nan 0.000 0.461 364 R N -0.538 119.888 120.500 -0.123 0.000 2.240 364 R HA 0.078 4.418 4.340 -0.000 0.000 0.203 364 R C 2.014 178.268 176.300 -0.077 0.000 1.011 364 R CA 1.049 57.102 56.100 -0.078 0.000 1.007 364 R CB -0.736 29.535 30.300 -0.049 0.000 0.911 364 R HN 0.526 nan 8.270 nan 0.000 0.468 365 V N -0.590 119.271 119.914 -0.088 0.000 3.125 365 V HA 0.198 4.318 4.120 -0.000 0.000 0.249 365 V C 1.704 177.740 176.094 -0.098 0.000 1.113 365 V CA 1.508 63.763 62.300 -0.076 0.000 1.106 365 V CB 0.194 31.984 31.823 -0.056 0.000 0.768 365 V HN 0.249 nan 8.190 nan 0.000 0.468 366 G N 0.391 109.114 108.800 -0.129 0.000 2.394 366 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.215 366 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.215 366 G C 0.689 175.459 174.900 -0.217 0.000 1.165 366 G CA 1.224 46.229 45.100 -0.158 0.000 0.784 366 G HN 0.521 nan 8.290 nan 0.000 0.535 367 V N 3.262 123.044 119.914 -0.219 0.000 2.266 367 V HA 0.290 4.410 4.120 -0.000 0.000 0.266 367 V C -2.248 173.769 176.094 -0.128 0.000 1.036 367 V CA -1.598 60.533 62.300 -0.281 0.000 0.828 367 V CB 1.357 33.064 31.823 -0.193 0.000 1.081 367 V HN 0.105 nan 8.190 nan 0.000 0.449 368 P HA 0.206 nan 4.420 nan 0.000 0.277 368 P C -0.256 177.027 177.300 -0.029 0.000 1.240 368 P CA -0.247 62.821 63.100 -0.052 0.000 0.798 368 P CB 0.425 32.096 31.700 -0.048 0.000 0.979 369 Q N -1.078 118.709 119.800 -0.023 0.000 2.397 369 Q HA -0.104 4.236 4.340 -0.000 0.000 0.362 369 Q C -1.558 174.439 176.000 -0.005 0.000 1.324 369 Q CA 0.331 56.125 55.803 -0.014 0.000 1.063 369 Q CB -2.191 26.537 28.738 -0.017 0.000 1.185 369 Q HN 0.194 nan 8.270 nan 0.000 0.305 370 V N 1.937 121.850 119.914 -0.001 0.000 3.036 370 V HA 0.417 4.537 4.120 -0.000 0.000 0.288 370 V C 0.034 176.133 176.094 0.009 0.000 1.407 370 V CA -0.210 62.095 62.300 0.008 0.000 0.983 370 V CB 2.339 34.175 31.823 0.021 0.000 1.128 370 V HN 0.881 nan 8.190 nan 0.000 0.439 371 S N 1.810 117.516 115.700 0.010 0.000 2.576 371 S HA 0.134 4.604 4.470 -0.000 0.000 0.272 371 S C 0.742 175.358 174.600 0.025 0.000 1.352 371 S CA 0.469 58.676 58.200 0.013 0.000 1.021 371 S CB 0.593 63.799 63.200 0.010 0.000 0.887 371 S HN 0.804 nan 8.310 nan 0.000 0.542 372 D N 0.498 120.914 120.400 0.026 0.000 2.182 372 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 372 D C 1.662 177.994 176.300 0.054 0.000 0.986 372 D CA 1.020 55.042 54.000 0.037 0.000 0.847 372 D CB -0.263 40.558 40.800 0.034 0.000 0.942 372 D HN 0.454 nan 8.370 nan 0.000 0.467 373 L N 0.504 121.757 121.223 0.051 0.000 2.072 373 L HA 0.008 4.348 4.340 -0.000 0.000 0.205 373 L C 2.110 179.037 176.870 0.095 0.000 1.079 373 L CA 1.313 56.195 54.840 0.070 0.000 0.752 373 L CB -0.458 41.636 42.059 0.058 0.000 0.906 373 L HN 0.032 nan 8.230 nan 0.000 0.436 374 A N -0.159 122.705 122.820 0.072 0.000 1.908 374 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 374 A C 2.457 180.118 177.584 0.127 0.000 1.181 374 A CA 1.754 53.845 52.037 0.090 0.000 0.627 374 A CB -1.182 17.844 19.000 0.044 0.000 0.818 374 A HN 0.586 nan 8.150 nan 0.000 0.445 375 A N -0.599 122.276 122.820 0.092 0.000 1.972 375 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 375 A C 1.967 179.621 177.584 0.117 0.000 1.169 375 A CA 1.648 53.737 52.037 0.087 0.000 0.635 375 A CB -0.410 18.620 19.000 0.050 0.000 0.810 375 A HN 0.637 nan 8.150 nan 0.000 0.446 376 E N -0.568 119.708 120.200 0.127 0.000 2.158 376 E HA 0.026 4.376 4.350 -0.000 0.000 0.191 376 E C 2.356 179.066 176.600 0.183 0.000 0.982 376 E CA 0.554 57.043 56.400 0.149 0.000 0.823 376 E CB -0.199 29.576 29.700 0.126 0.000 0.766 376 E HN 0.599 nan 8.360 nan 0.000 0.468 377 A N 1.139 124.084 122.820 0.209 0.000 1.859 377 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 377 A C 2.471 180.153 177.584 0.164 0.000 1.198 377 A CA 1.661 53.865 52.037 0.277 0.000 0.629 377 A CB -1.023 18.247 19.000 0.449 0.000 0.830 377 A HN 0.144 nan 8.150 nan 0.000 0.446 378 V N -0.528 119.481 119.914 0.158 0.000 2.453 378 V HA -0.253 3.867 4.120 -0.000 0.000 0.252 378 V C 2.522 178.727 176.094 0.186 0.000 1.068 378 V CA 2.017 64.350 62.300 0.055 0.000 1.070 378 V CB -0.690 31.210 31.823 0.129 0.000 0.664 378 V HN 0.392 nan 8.190 nan 0.000 0.461 379 V N -0.589 119.453 119.914 0.214 0.000 2.323 379 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 379 V C 2.309 178.617 176.094 0.356 0.000 1.041 379 V CA 1.877 64.361 62.300 0.306 0.000 1.025 379 V CB -0.386 31.610 31.823 0.287 0.000 0.656 379 V HN 0.551 nan 8.190 nan 0.000 0.451 380 L N -0.029 121.403 121.223 0.349 0.000 1.997 380 L HA -0.278 4.062 4.340 -0.000 0.000 0.216 380 L C 2.467 179.462 176.870 0.208 0.000 1.074 380 L CA 2.268 57.333 54.840 0.376 0.000 0.763 380 L CB -1.061 41.084 42.059 0.142 0.000 0.890 380 L HN 0.418 nan 8.230 nan 0.000 0.434 381 H N -2.012 117.045 119.070 -0.022 0.000 2.423 381 H HA -0.125 4.431 4.556 -0.000 0.000 0.297 381 H C 1.376 176.574 175.328 -0.216 0.000 1.075 381 H CA 2.087 57.997 56.048 -0.229 0.000 1.342 381 H CB 0.025 29.392 29.762 -0.658 0.000 1.395 381 H HN 0.489 nan 8.280 nan 0.000 0.530 382 Y N 0.165 120.526 120.300 0.101 0.000 2.458 382 Y HA 0.106 4.656 4.550 -0.000 0.000 0.256 382 Y C 0.647 176.544 175.900 -0.004 0.000 1.159 382 Y CA -0.039 58.138 58.100 0.128 0.000 1.261 382 Y CB 0.849 39.470 38.460 0.269 0.000 1.119 382 Y HN -0.119 nan 8.280 nan 0.000 0.524 383 T N 0.779 115.296 114.554 -0.061 0.000 2.837 383 T HA 0.066 4.416 4.350 -0.000 0.000 0.285 383 T C -0.707 173.652 174.700 -0.568 0.000 0.984 383 T CA -0.657 61.140 62.100 -0.504 0.000 1.049 383 T CB 0.924 69.137 68.868 -1.092 0.000 0.947 383 T HN -0.016 nan 8.240 nan 0.000 0.472 384 D N 1.624 121.748 120.400 -0.460 0.000 2.325 384 D HA 0.103 4.743 4.640 -0.000 0.000 0.251 384 D C -0.131 175.931 176.300 -0.396 0.000 1.196 384 D CA -0.634 53.188 54.000 -0.297 0.000 0.866 384 D CB 0.590 41.328 40.800 -0.104 0.000 1.101 384 D HN 0.585 nan 8.370 nan 0.000 0.476 385 W N 3.374 124.616 121.300 -0.097 0.000 3.180 385 W HA 0.164 4.824 4.660 -0.000 0.000 0.254 385 W C 1.848 178.266 176.519 -0.169 0.000 1.318 385 W CA -0.320 56.960 57.345 -0.109 0.000 1.608 385 W CB -0.033 29.372 29.460 -0.092 0.000 1.124 385 W HN 0.400 nan 8.180 nan 0.000 0.694 386 L N -0.554 120.586 121.223 -0.139 0.000 2.209 386 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 386 L C 0.719 177.207 176.870 -0.636 0.000 1.094 386 L CA 0.903 55.488 54.840 -0.425 0.000 0.790 386 L CB -0.168 41.525 42.059 -0.610 0.000 0.932 386 L HN 0.053 nan 8.230 nan 0.000 0.447 387 H N -1.274 117.756 119.070 -0.066 0.000 2.336 387 H HA 0.233 4.789 4.556 -0.000 0.000 0.230 387 H C -1.876 173.342 175.328 -0.182 0.000 1.426 387 H CA -1.793 54.195 56.048 -0.100 0.000 1.359 387 H CB 0.435 30.143 29.762 -0.090 0.000 1.555 387 H HN 0.058 nan 8.280 nan 0.000 0.512 388 P HA -0.085 nan 4.420 nan 0.000 0.223 388 P C 1.450 178.625 177.300 -0.209 0.000 1.151 388 P CA 0.951 63.884 63.100 -0.279 0.000 0.787 388 P CB 0.765 32.337 31.700 -0.213 0.000 0.788 389 E N -0.788 119.351 120.200 -0.103 0.000 2.340 389 E HA -0.017 4.333 4.350 -0.000 0.000 0.194 389 E C 0.350 176.896 176.600 -0.090 0.000 0.996 389 E CA 0.308 56.660 56.400 -0.080 0.000 0.869 389 E CB -0.874 28.806 29.700 -0.034 0.000 0.835 389 E HN 0.179 nan 8.360 nan 0.000 0.493 390 D N 1.216 121.567 120.400 -0.081 0.000 2.412 390 D HA -0.023 4.617 4.640 -0.000 0.000 0.257 390 D C -1.741 174.487 176.300 -0.120 0.000 1.217 390 D CA -1.694 52.251 54.000 -0.093 0.000 0.897 390 D CB 1.283 42.023 40.800 -0.099 0.000 1.132 390 D HN -0.145 nan 8.370 nan 0.000 0.493 391 P HA -0.210 nan 4.420 nan 0.000 0.214 391 P C 1.013 178.235 177.300 -0.130 0.000 1.169 391 P CA 2.364 65.386 63.100 -0.131 0.000 0.908 391 P CB 0.059 31.680 31.700 -0.131 0.000 0.791 392 A N -0.402 122.352 122.820 -0.110 0.000 1.865 392 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 392 A C 2.303 179.859 177.584 -0.046 0.000 1.191 392 A CA 1.882 53.872 52.037 -0.079 0.000 0.623 392 A CB -1.262 17.707 19.000 -0.053 0.000 0.826 392 A HN 0.030 nan 8.150 nan 0.000 0.444 393 R N -0.792 119.669 120.500 -0.065 0.000 2.096 393 R HA -0.177 4.163 4.340 -0.000 0.000 0.240 393 R C 2.094 178.342 176.300 -0.085 0.000 1.139 393 R CA 1.815 57.880 56.100 -0.059 0.000 0.952 393 R CB -0.668 29.583 30.300 -0.081 0.000 0.854 393 R HN 0.550 nan 8.270 nan 0.000 0.436 394 L N 0.111 121.233 121.223 -0.167 0.000 2.083 394 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 394 L C 2.819 179.742 176.870 0.087 0.000 1.083 394 L CA 1.267 55.972 54.840 -0.225 0.000 0.752 394 L CB -0.457 41.431 42.059 -0.284 0.000 0.899 394 L HN 0.179 nan 8.230 nan 0.000 0.433 395 R N 0.390 120.925 120.500 0.058 0.000 2.070 395 R HA -0.196 4.144 4.340 -0.000 0.000 0.233 395 R C 2.197 178.668 176.300 0.284 0.000 1.137 395 R CA 1.761 57.954 56.100 0.154 0.000 0.945 395 R CB -0.094 30.157 30.300 -0.081 0.000 0.845 395 R HN 0.240 nan 8.270 nan 0.000 0.430 396 E N 0.273 120.595 120.200 0.202 0.000 2.070 396 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 396 E C 1.817 178.581 176.600 0.273 0.000 1.004 396 E CA 1.854 58.395 56.400 0.235 0.000 0.805 396 E CB -0.308 29.495 29.700 0.171 0.000 0.744 396 E HN 0.465 nan 8.360 nan 0.000 0.451 397 A N 0.255 123.229 122.820 0.256 0.000 1.883 397 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 397 A C 2.171 180.031 177.584 0.461 0.000 1.186 397 A CA 1.556 53.815 52.037 0.370 0.000 0.624 397 A CB -0.744 18.401 19.000 0.242 0.000 0.822 397 A HN 0.310 nan 8.150 nan 0.000 0.444 398 L N -0.313 121.218 121.223 0.514 0.000 2.093 398 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 398 L C 2.584 179.557 176.870 0.173 0.000 1.085 398 L CA 2.404 57.448 54.840 0.340 0.000 0.755 398 L CB -0.703 41.565 42.059 0.349 0.000 0.904 398 L HN 0.353 nan 8.230 nan 0.000 0.435 399 S N -0.894 114.953 115.700 0.245 0.000 2.382 399 S HA -0.182 4.288 4.470 -0.000 0.000 0.228 399 S C 1.673 176.402 174.600 0.215 0.000 1.027 399 S CA 1.467 59.801 58.200 0.224 0.000 0.991 399 S CB -0.368 63.023 63.200 0.318 0.000 0.823 399 S HN 0.578 nan 8.310 nan 0.000 0.469 400 D N 0.878 121.438 120.400 0.267 0.000 2.097 400 D HA -0.064 4.576 4.640 -0.000 0.000 0.197 400 D C 2.181 178.604 176.300 0.204 0.000 0.984 400 D CA 1.195 55.386 54.000 0.320 0.000 0.826 400 D CB -0.802 40.293 40.800 0.493 0.000 0.973 400 D HN 0.296 nan 8.370 nan 0.000 0.460 401 V N 1.157 121.038 119.914 -0.054 0.000 2.231 401 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 401 V C 2.755 178.750 176.094 -0.166 0.000 1.054 401 V CA 1.398 63.492 62.300 -0.343 0.000 1.015 401 V CB -0.740 30.846 31.823 -0.394 0.000 0.638 401 V HN 0.053 nan 8.190 nan 0.000 0.444 402 V N 0.695 120.554 119.914 -0.090 0.000 2.332 402 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 402 V C 2.534 178.598 176.094 -0.051 0.000 1.055 402 V CA 2.303 64.561 62.300 -0.071 0.000 1.038 402 V CB -1.357 30.470 31.823 0.006 0.000 0.651 402 V HN 0.636 nan 8.190 nan 0.000 0.450 403 G N -0.609 108.215 108.800 0.041 0.000 2.404 403 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.214 403 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.214 403 G C 1.137 176.038 174.900 0.002 0.000 1.189 403 G CA 0.845 45.999 45.100 0.089 0.000 0.789 403 G HN 0.490 nan 8.290 nan 0.000 0.533 404 D N 0.260 120.672 120.400 0.020 0.000 2.182 404 D HA -0.198 4.442 4.640 -0.000 0.000 0.193 404 D C 2.047 178.125 176.300 -0.371 0.000 0.999 404 D CA 1.719 55.697 54.000 -0.036 0.000 0.850 404 D CB -0.913 40.054 40.800 0.277 0.000 0.994 404 D HN 0.477 nan 8.370 nan 0.000 0.450 405 H N 0.457 118.962 119.070 -0.942 0.000 2.353 405 H HA -0.075 4.481 4.556 -0.000 0.000 0.298 405 H C 1.617 176.556 175.328 -0.650 0.000 1.103 405 H CA 2.093 57.376 56.048 -1.275 0.000 1.293 405 H CB 0.047 28.802 29.762 -1.678 0.000 1.372 405 H HN 0.022 nan 8.280 nan 0.000 0.501 406 N N -0.690 117.648 118.700 -0.604 0.000 2.336 406 N HA -0.021 4.719 4.740 -0.000 0.000 0.177 406 N C 1.437 176.761 175.510 -0.310 0.000 1.018 406 N CA 1.186 53.858 53.050 -0.631 0.000 0.878 406 N CB 0.571 38.405 38.487 -1.088 0.000 0.997 406 N HN 0.272 nan 8.380 nan 0.000 0.433 407 V N 0.067 119.878 119.914 -0.172 0.000 3.405 407 V HA 0.025 4.145 4.120 -0.000 0.000 0.211 407 V C 2.315 178.404 176.094 -0.008 0.000 1.151 407 V CA 0.259 62.574 62.300 0.025 0.000 1.323 407 V CB -0.645 31.282 31.823 0.174 0.000 1.357 407 V HN -0.160 nan 8.190 nan 0.000 0.506 408 V N 0.277 120.192 119.914 0.002 0.000 2.233 408 V HA -0.398 3.722 4.120 -0.000 0.000 0.252 408 V C 2.524 178.599 176.094 -0.031 0.000 1.063 408 V CA 2.692 64.983 62.300 -0.016 0.000 1.032 408 V CB -1.347 30.487 31.823 0.019 0.000 0.645 408 V HN 0.706 nan 8.190 nan 0.000 0.446 409 c N 0.129 118.706 118.600 -0.039 0.000 2.413 409 c HA -0.081 4.489 4.570 -0.000 0.000 0.276 409 c C 0.786 174.853 174.090 -0.039 0.000 1.236 409 c CA 1.571 57.899 56.329 -0.001 0.000 1.735 409 c CB -2.146 40.382 42.510 0.031 0.000 2.031 409 c HN 0.458 nan 8.230 nan 0.000 0.474 410 P HA -0.115 nan 4.420 nan 0.000 0.217 410 P C 1.840 179.089 177.300 -0.085 0.000 1.162 410 P CA 1.653 64.683 63.100 -0.115 0.000 0.901 410 P CB -0.260 31.345 31.700 -0.159 0.000 0.793 411 V N -0.013 119.856 119.914 -0.074 0.000 2.237 411 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 411 V C 2.522 178.542 176.094 -0.124 0.000 1.046 411 V CA 2.345 64.591 62.300 -0.090 0.000 1.007 411 V CB -1.695 30.072 31.823 -0.093 0.000 0.638 411 V HN 0.096 nan 8.190 nan 0.000 0.445 412 A N -0.764 121.985 122.820 -0.118 0.000 1.896 412 A HA -0.405 3.915 4.320 -0.000 0.000 0.220 412 A C 2.249 179.819 177.584 -0.022 0.000 1.206 412 A CA 2.771 54.752 52.037 -0.094 0.000 0.647 412 A CB -0.778 18.218 19.000 -0.006 0.000 0.828 412 A HN 0.661 nan 8.150 nan 0.000 0.455 413 Q N -0.770 119.026 119.800 -0.007 0.000 2.030 413 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 413 Q C 2.114 178.108 176.000 -0.009 0.000 0.986 413 Q CA 1.882 57.692 55.803 0.012 0.000 0.843 413 Q CB -0.308 28.430 28.738 0.000 0.000 0.904 413 Q HN 0.644 nan 8.270 nan 0.000 0.420 414 L N 0.706 121.898 121.223 -0.052 0.000 1.971 414 L HA -0.226 4.114 4.340 -0.000 0.000 0.215 414 L C 2.393 179.216 176.870 -0.078 0.000 1.072 414 L CA 2.489 57.281 54.840 -0.081 0.000 0.758 414 L CB -0.745 41.255 42.059 -0.099 0.000 0.889 414 L HN 0.314 nan 8.230 nan 0.000 0.433 415 A N -0.310 122.454 122.820 -0.093 0.000 1.917 415 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 415 A C 2.274 179.927 177.584 0.115 0.000 1.182 415 A CA 1.891 53.874 52.037 -0.089 0.000 0.633 415 A CB -1.795 17.008 19.000 -0.329 0.000 0.819 415 A HN 0.641 nan 8.150 nan 0.000 0.448 416 G N -0.409 108.515 108.800 0.207 0.000 2.639 416 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.216 416 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.216 416 G C 1.607 176.586 174.900 0.131 0.000 1.267 416 G CA 0.926 46.190 45.100 0.273 0.000 0.801 416 G HN 0.424 nan 8.290 nan 0.000 0.592 417 R N 0.136 120.676 120.500 0.066 0.000 2.153 417 R HA -0.061 4.279 4.340 -0.000 0.000 0.252 417 R C 2.652 178.943 176.300 -0.015 0.000 1.158 417 R CA 0.927 57.047 56.100 0.033 0.000 0.975 417 R CB -1.035 29.274 30.300 0.015 0.000 0.871 417 R HN 0.428 nan 8.270 nan 0.000 0.450 418 L N -0.370 120.795 121.223 -0.097 0.000 2.093 418 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 418 L C 2.536 179.388 176.870 -0.031 0.000 1.085 418 L CA 1.256 55.966 54.840 -0.218 0.000 0.755 418 L CB -0.524 41.356 42.059 -0.298 0.000 0.904 418 L HN 0.176 nan 8.230 nan 0.000 0.435 419 A N -0.105 122.748 122.820 0.055 0.000 1.874 419 A HA -0.002 4.318 4.320 -0.000 0.000 0.214 419 A C 2.411 180.031 177.584 0.061 0.000 1.189 419 A CA 1.133 53.225 52.037 0.091 0.000 0.615 419 A CB -0.563 18.530 19.000 0.156 0.000 0.830 419 A HN 0.340 nan 8.150 nan 0.000 0.443 420 A N -0.952 121.906 122.820 0.064 0.000 2.225 420 A HA -0.089 4.231 4.320 -0.000 0.000 0.215 420 A C 1.580 179.192 177.584 0.047 0.000 1.164 420 A CA 1.443 53.512 52.037 0.053 0.000 0.710 420 A CB -0.361 18.674 19.000 0.059 0.000 0.780 420 A HN 0.643 nan 8.150 nan 0.000 0.473 421 Q N -2.038 117.792 119.800 0.050 0.000 2.141 421 Q HA 0.403 4.743 4.340 -0.000 0.000 0.248 421 Q C 0.715 176.632 176.000 -0.137 0.000 0.834 421 Q CA 0.334 56.161 55.803 0.041 0.000 1.096 421 Q CB 0.824 29.684 28.738 0.204 0.000 1.189 421 Q HN 0.703 nan 8.270 nan 0.000 0.471 422 G N -0.077 108.593 108.800 -0.217 0.000 2.205 422 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.180 422 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.180 422 G C 0.298 175.135 174.900 -0.106 0.000 1.004 422 G CA -0.294 44.495 45.100 -0.518 0.000 0.670 422 G HN 0.485 nan 8.290 nan 0.000 0.496 423 A N 0.250 123.088 122.820 0.030 0.000 2.366 423 A HA 0.703 5.023 4.320 -0.000 0.000 0.249 423 A C 0.715 178.369 177.584 0.117 0.000 1.084 423 A CA 0.716 52.812 52.037 0.099 0.000 0.794 423 A CB 0.298 19.334 19.000 0.059 0.000 1.034 423 A HN 1.121 nan 8.150 nan 0.000 0.491 424 R N 1.497 122.093 120.500 0.161 0.000 2.288 424 R HA 0.553 4.893 4.340 -0.000 0.000 0.326 424 R C -1.874 174.635 176.300 0.348 0.000 0.959 424 R CA -0.301 55.941 56.100 0.237 0.000 0.834 424 R CB 0.847 31.289 30.300 0.237 0.000 1.157 424 R HN 0.407 nan 8.270 nan 0.000 0.470 425 V N 5.598 125.742 119.914 0.384 0.000 2.513 425 V HA 0.417 4.537 4.120 -0.000 0.000 0.299 425 V C -0.911 175.549 176.094 0.609 0.000 1.035 425 V CA -0.596 61.939 62.300 0.392 0.000 0.889 425 V CB 1.623 33.609 31.823 0.272 0.000 0.988 425 V HN 0.710 nan 8.190 nan 0.000 0.440 426 Y N 2.490 122.817 120.300 0.045 0.000 2.332 426 Y HA 0.689 5.239 4.550 -0.000 0.000 0.326 426 Y C 0.427 176.503 175.900 0.294 0.000 0.978 426 Y CA -0.861 57.302 58.100 0.105 0.000 1.205 426 Y CB 1.870 40.099 38.460 -0.385 0.000 1.131 426 Y HN 0.728 nan 8.280 nan 0.000 0.462 427 A N 3.821 127.007 122.820 0.610 0.000 2.302 427 A HA 0.704 5.024 4.320 -0.000 0.000 0.285 427 A C -1.211 176.747 177.584 0.623 0.000 1.105 427 A CA -0.309 51.980 52.037 0.419 0.000 0.816 427 A CB 0.358 19.428 19.000 0.116 0.000 1.067 427 A HN 0.774 nan 8.150 nan 0.000 0.489 428 Y N -1.610 118.898 120.300 0.347 0.000 2.669 428 Y HA 0.767 5.317 4.550 -0.000 0.000 0.335 428 Y C -1.067 174.932 175.900 0.165 0.000 1.116 428 Y CA -1.656 56.563 58.100 0.198 0.000 1.081 428 Y CB 1.292 39.894 38.460 0.238 0.000 1.297 428 Y HN 0.388 nan 8.280 nan 0.000 0.484 429 V N 2.698 122.834 119.914 0.369 0.000 2.509 429 V HA 0.203 4.323 4.120 -0.000 0.000 0.289 429 V C -1.371 175.001 176.094 0.463 0.000 1.026 429 V CA -0.642 61.809 62.300 0.253 0.000 0.872 429 V CB 1.166 33.070 31.823 0.136 0.000 1.017 429 V HN 0.692 nan 8.190 nan 0.000 0.436 430 F N 5.724 125.946 119.950 0.455 0.000 2.462 430 F HA 0.315 4.842 4.527 -0.000 0.000 0.360 430 F C 1.179 177.138 175.800 0.264 0.000 1.134 430 F CA -0.159 58.064 58.000 0.372 0.000 1.148 430 F CB 0.634 39.869 39.000 0.391 0.000 1.147 430 F HN 0.705 nan 8.300 nan 0.000 0.550 431 E N 3.762 123.982 120.200 0.033 0.000 2.651 431 E HA 0.082 4.432 4.350 -0.000 0.000 0.213 431 E C -0.854 175.719 176.600 -0.045 0.000 1.028 431 E CA -0.485 55.958 56.400 0.072 0.000 1.183 431 E CB -0.208 29.541 29.700 0.082 0.000 1.188 431 E HN 0.647 nan 8.360 nan 0.000 0.444 432 H N 1.267 120.127 119.070 -0.349 0.000 2.476 432 H HA 0.295 4.851 4.556 -0.000 0.000 0.328 432 H C -0.772 174.652 175.328 0.161 0.000 1.073 432 H CA -0.889 55.017 56.048 -0.235 0.000 1.229 432 H CB 1.119 30.530 29.762 -0.584 0.000 1.432 432 H HN 0.038 nan 8.280 nan 0.000 0.477 433 R N 4.358 124.583 120.500 -0.458 0.000 2.325 433 R HA 0.389 4.729 4.340 -0.000 0.000 0.323 433 R C -0.426 175.608 176.300 -0.443 0.000 1.177 433 R CA -0.354 55.583 56.100 -0.271 0.000 1.018 433 R CB -0.294 29.933 30.300 -0.121 0.000 1.070 433 R HN 0.830 nan 8.270 nan 0.000 0.495 434 A N 3.148 125.944 122.820 -0.039 0.000 2.591 434 A HA -0.093 4.227 4.320 -0.000 0.000 0.244 434 A C 1.510 179.105 177.584 0.019 0.000 1.031 434 A CA 0.885 53.053 52.037 0.219 0.000 0.767 434 A CB 0.182 19.422 19.000 0.400 0.000 0.942 434 A HN 1.021 nan 8.150 nan 0.000 0.514 435 S N 2.045 117.781 115.700 0.061 0.000 2.420 435 S HA -0.198 4.272 4.470 -0.000 0.000 0.237 435 S C 1.368 175.880 174.600 -0.148 0.000 1.023 435 S CA 1.944 60.123 58.200 -0.035 0.000 0.991 435 S CB -0.948 62.257 63.200 0.008 0.000 0.792 435 S HN 1.150 nan 8.310 nan 0.000 0.488 436 T N 0.346 114.729 114.554 -0.286 0.000 3.148 436 T HA 0.344 4.694 4.350 -0.000 0.000 0.253 436 T C 0.720 175.294 174.700 -0.210 0.000 1.134 436 T CA -0.350 61.567 62.100 -0.305 0.000 1.051 436 T CB -0.503 68.068 68.868 -0.495 0.000 0.959 436 T HN 0.331 nan 8.240 nan 0.000 0.525 437 L N 3.450 124.583 121.223 -0.150 0.000 2.628 437 L HA 0.016 4.356 4.340 -0.000 0.000 0.274 437 L C 1.185 177.959 176.870 -0.159 0.000 1.209 437 L CA 0.062 54.815 54.840 -0.145 0.000 0.930 437 L CB 0.502 42.495 42.059 -0.110 0.000 1.183 437 L HN 0.408 nan 8.230 nan 0.000 0.492 438 S N 1.209 116.760 115.700 -0.248 0.000 2.605 438 S HA 0.049 4.519 4.470 -0.000 0.000 0.217 438 S C -0.092 174.413 174.600 -0.157 0.000 0.958 438 S CA -0.721 57.324 58.200 -0.258 0.000 0.919 438 S CB -0.104 62.796 63.200 -0.500 0.000 0.780 438 S HN 0.489 nan 8.310 nan 0.000 0.507 439 W N 3.578 124.844 121.300 -0.057 0.000 2.184 439 W HA 0.405 5.065 4.660 -0.000 0.000 0.338 439 W C -2.164 174.257 176.519 -0.163 0.000 1.257 439 W CA -2.054 55.250 57.345 -0.070 0.000 1.243 439 W CB 0.012 29.358 29.460 -0.191 0.000 1.122 439 W HN -0.011 nan 8.180 nan 0.000 0.585 440 P HA -0.075 nan 4.420 nan 0.000 0.269 440 P C 0.590 177.802 177.300 -0.146 0.000 1.217 440 P CA 0.013 63.066 63.100 -0.077 0.000 0.783 440 P CB 0.870 32.502 31.700 -0.113 0.000 0.898 441 L N 1.285 122.488 121.223 -0.033 0.000 2.131 441 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 441 L C 2.381 179.257 176.870 0.010 0.000 1.092 441 L CA 1.411 56.251 54.840 -0.001 0.000 0.759 441 L CB -0.811 41.283 42.059 0.057 0.000 0.903 441 L HN 0.567 nan 8.230 nan 0.000 0.435 442 W N -1.554 119.796 121.300 0.083 0.000 2.421 442 W HA -0.200 4.460 4.660 -0.000 0.000 0.270 442 W C 1.715 178.302 176.519 0.113 0.000 1.233 442 W CA 0.606 58.006 57.345 0.092 0.000 1.226 442 W CB -1.128 28.386 29.460 0.091 0.000 1.121 442 W HN 0.209 nan 8.180 nan 0.000 0.579 443 M N 1.280 120.517 119.600 -0.606 0.000 2.476 443 M HA 0.109 4.589 4.480 -0.000 0.000 0.262 443 M C 1.740 177.950 176.300 -0.149 0.000 1.079 443 M CA 1.710 56.678 55.300 -0.553 0.000 1.104 443 M CB -0.791 31.360 32.600 -0.748 0.000 1.409 443 M HN 0.186 nan 8.290 nan 0.000 0.467 444 G N 0.440 109.205 108.800 -0.058 0.000 2.527 444 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.268 444 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.268 444 G C -0.275 174.636 174.900 0.018 0.000 1.175 444 G CA -0.299 44.815 45.100 0.023 0.000 0.962 444 G HN 0.215 nan 8.290 nan 0.000 0.560 445 V N 3.844 123.809 119.914 0.085 0.000 2.320 445 V HA 0.512 4.632 4.120 -0.000 0.000 0.265 445 V C -1.501 174.676 176.094 0.138 0.000 1.048 445 V CA -0.535 61.855 62.300 0.149 0.000 0.865 445 V CB 1.074 33.064 31.823 0.278 0.000 1.043 445 V HN 0.679 nan 8.190 nan 0.000 0.474 446 P HA 0.269 nan 4.420 nan 0.000 0.281 446 P C -0.453 176.936 177.300 0.149 0.000 1.281 446 P CA -0.729 62.398 63.100 0.044 0.000 0.811 446 P CB 0.610 32.193 31.700 -0.194 0.000 1.154 447 H N -0.559 118.454 119.070 -0.094 0.000 3.001 447 H HA 0.289 4.845 4.556 -0.000 0.000 0.334 447 H C 1.535 176.657 175.328 -0.344 0.000 1.034 447 H CA 2.209 58.149 56.048 -0.181 0.000 1.420 447 H CB -0.483 29.127 29.762 -0.253 0.000 1.405 447 H HN 0.804 nan 8.280 nan 0.000 0.593 448 G N 3.086 111.480 108.800 -0.677 0.000 2.225 448 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.254 448 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.254 448 G C 0.575 175.199 174.900 -0.460 0.000 0.988 448 G CA 0.556 45.269 45.100 -0.644 0.000 0.625 448 G HN 0.668 nan 8.290 nan 0.000 0.527 449 Y N 1.565 121.820 120.300 -0.076 0.000 2.462 449 Y HA 0.240 4.790 4.550 -0.000 0.000 0.293 449 Y C 2.356 178.202 175.900 -0.090 0.000 1.195 449 Y CA 0.983 59.101 58.100 0.029 0.000 1.276 449 Y CB 0.305 38.837 38.460 0.120 0.000 1.082 449 Y HN 0.590 nan 8.280 nan 0.000 0.514 450 E N 0.234 120.210 120.200 -0.374 0.000 2.250 450 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 450 E C 1.653 178.035 176.600 -0.363 0.000 0.986 450 E CA 0.774 56.615 56.400 -0.933 0.000 0.849 450 E CB -0.353 28.704 29.700 -1.071 0.000 0.797 450 E HN 0.531 nan 8.360 nan 0.000 0.482 451 I N 1.878 122.330 120.570 -0.195 0.000 2.118 451 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 451 I C 2.317 178.364 176.117 -0.117 0.000 1.070 451 I CA 1.996 63.243 61.300 -0.088 0.000 1.327 451 I CB -0.415 37.584 38.000 -0.001 0.000 1.034 451 I HN 0.074 nan 8.210 nan 0.000 0.405 452 E N 0.656 120.720 120.200 -0.226 0.000 2.114 452 E HA -0.244 4.106 4.350 -0.000 0.000 0.199 452 E C 2.031 178.416 176.600 -0.359 0.000 1.008 452 E CA 1.798 57.984 56.400 -0.356 0.000 0.810 452 E CB -0.342 29.062 29.700 -0.494 0.000 0.739 452 E HN 0.434 nan 8.360 nan 0.000 0.456 453 F N 0.744 120.648 119.950 -0.077 0.000 2.022 453 F HA -0.194 4.333 4.527 -0.000 0.000 0.293 453 F C 2.361 178.006 175.800 -0.259 0.000 1.142 453 F CA 0.598 58.515 58.000 -0.138 0.000 1.177 453 F CB -0.386 38.603 39.000 -0.019 0.000 0.982 453 F HN -0.055 nan 8.300 nan 0.000 0.473 454 I N -0.395 120.063 120.570 -0.187 0.000 2.191 454 I HA -0.366 3.804 4.170 -0.000 0.000 0.248 454 I C 2.179 178.105 176.117 -0.319 0.000 1.061 454 I CA 2.082 63.108 61.300 -0.457 0.000 1.329 454 I CB -1.448 36.161 38.000 -0.651 0.000 1.024 454 I HN 0.129 nan 8.210 nan 0.000 0.423 455 F N 0.656 120.434 119.950 -0.287 0.000 2.780 455 F HA 0.250 4.777 4.527 -0.000 0.000 0.299 455 F C 1.734 177.450 175.800 -0.140 0.000 1.146 455 F CA 0.717 58.582 58.000 -0.225 0.000 1.428 455 F CB -0.266 38.578 39.000 -0.261 0.000 1.115 455 F HN 0.283 nan 8.300 nan 0.000 0.583 456 G N 0.853 109.617 108.800 -0.059 0.000 2.289 456 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.280 456 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.280 456 G C 0.719 175.378 174.900 -0.402 0.000 1.089 456 G CA 0.326 45.337 45.100 -0.149 0.000 0.939 456 G HN 0.203 nan 8.290 nan 0.000 0.499 457 I N -0.471 119.813 120.570 -0.477 0.000 3.035 457 I HA 0.050 4.220 4.170 -0.000 0.000 0.271 457 I C 0.136 175.720 176.117 -0.887 0.000 1.190 457 I CA -0.236 60.683 61.300 -0.635 0.000 1.472 457 I CB -1.715 36.027 38.000 -0.430 0.000 1.116 457 I HN 0.060 nan 8.210 nan 0.000 0.443 458 P HA -0.152 nan 4.420 nan 0.000 0.217 458 P C 2.067 179.030 177.300 -0.563 0.000 1.151 458 P CA 1.300 63.796 63.100 -1.007 0.000 0.849 458 P CB -0.088 31.295 31.700 -0.528 0.000 0.787 459 L N -1.333 119.538 121.223 -0.587 0.000 2.447 459 L HA -0.099 4.241 4.340 -0.000 0.000 0.225 459 L C 1.070 177.614 176.870 -0.544 0.000 1.148 459 L CA 0.774 55.310 54.840 -0.507 0.000 0.808 459 L CB -1.229 40.537 42.059 -0.489 0.000 0.928 459 L HN 0.117 nan 8.230 nan 0.000 0.448 460 D N 1.266 121.252 120.400 -0.690 0.000 2.371 460 D HA 0.060 4.700 4.640 -0.000 0.000 0.256 460 D C -1.311 174.907 176.300 -0.136 0.000 1.193 460 D CA -1.877 51.944 54.000 -0.298 0.000 0.881 460 D CB 1.576 42.269 40.800 -0.178 0.000 1.143 460 D HN -0.133 nan 8.370 nan 0.000 0.473 461 P HA -0.299 nan 4.420 nan 0.000 0.216 461 P C 1.345 178.643 177.300 -0.003 0.000 1.151 461 P CA 2.197 65.290 63.100 -0.011 0.000 0.953 461 P CB -0.315 31.391 31.700 0.011 0.000 0.789 462 S N -0.926 114.776 115.700 0.003 0.000 2.419 462 S HA -0.136 4.334 4.470 -0.000 0.000 0.233 462 S C 1.256 175.865 174.600 0.014 0.000 1.016 462 S CA 0.529 58.732 58.200 0.005 0.000 0.974 462 S CB -0.912 62.289 63.200 0.002 0.000 0.786 462 S HN 0.082 nan 8.310 nan 0.000 0.492 463 R N 2.783 123.300 120.500 0.028 0.000 2.288 463 R HA 0.219 4.559 4.340 -0.000 0.000 0.330 463 R C -0.701 175.705 176.300 0.177 0.000 1.069 463 R CA -0.245 55.921 56.100 0.109 0.000 0.941 463 R CB 0.059 30.465 30.300 0.176 0.000 0.998 463 R HN 0.329 nan 8.270 nan 0.000 0.452 464 N N 4.048 122.795 118.700 0.079 0.000 2.736 464 N HA -0.084 4.656 4.740 -0.000 0.000 0.307 464 N C -1.112 174.429 175.510 0.053 0.000 1.212 464 N CA 0.660 53.738 53.050 0.047 0.000 1.158 464 N CB -0.113 38.364 38.487 -0.018 0.000 1.460 464 N HN 0.379 nan 8.380 nan 0.000 0.514 465 Y N 0.277 120.573 120.300 -0.007 0.000 2.330 465 Y HA 0.106 4.656 4.550 -0.000 0.000 0.336 465 Y C 1.271 177.204 175.900 0.054 0.000 1.036 465 Y CA -1.048 57.076 58.100 0.040 0.000 1.125 465 Y CB 0.939 39.426 38.460 0.045 0.000 1.194 465 Y HN 0.171 nan 8.280 nan 0.000 0.469 466 T N -0.120 114.540 114.554 0.178 0.000 2.923 466 T HA 0.009 4.359 4.350 -0.000 0.000 0.304 466 T C 1.219 176.007 174.700 0.147 0.000 1.044 466 T CA 0.030 62.209 62.100 0.131 0.000 1.141 466 T CB 0.794 69.724 68.868 0.103 0.000 1.023 466 T HN 0.837 nan 8.240 nan 0.000 0.533 467 A N 2.055 124.930 122.820 0.092 0.000 2.121 467 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 467 A C 2.238 179.862 177.584 0.068 0.000 1.154 467 A CA 1.372 53.453 52.037 0.074 0.000 0.679 467 A CB -0.737 18.291 19.000 0.046 0.000 0.795 467 A HN 1.014 nan 8.150 nan 0.000 0.458 468 E N -0.346 119.890 120.200 0.059 0.000 2.274 468 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 468 E C 1.700 178.328 176.600 0.048 0.000 0.996 468 E CA 0.697 57.116 56.400 0.031 0.000 0.840 468 E CB -0.002 29.692 29.700 -0.010 0.000 0.772 468 E HN 0.764 nan 8.360 nan 0.000 0.491 469 E N 0.383 120.660 120.200 0.128 0.000 2.072 469 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 469 E C 1.895 178.661 176.600 0.277 0.000 0.982 469 E CA 0.923 57.480 56.400 0.262 0.000 0.803 469 E CB 0.190 30.200 29.700 0.517 0.000 0.755 469 E HN 0.151 nan 8.360 nan 0.000 0.453 470 K N 0.384 120.888 120.400 0.175 0.000 2.147 470 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 470 K C 2.108 178.762 176.600 0.089 0.000 1.049 470 K CA 1.064 57.404 56.287 0.088 0.000 0.936 470 K CB -0.197 32.320 32.500 0.029 0.000 0.722 470 K HN 0.188 nan 8.250 nan 0.000 0.446 471 I N 0.633 121.264 120.570 0.101 0.000 2.226 471 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 471 I C 2.363 178.576 176.117 0.160 0.000 1.100 471 I CA 0.962 62.321 61.300 0.099 0.000 1.374 471 I CB -0.357 37.687 38.000 0.073 0.000 1.057 471 I HN -0.008 nan 8.210 nan 0.000 0.413 472 F N 2.145 122.076 119.950 -0.030 0.000 2.069 472 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 472 F C 2.463 178.272 175.800 0.014 0.000 1.113 472 F CA 1.126 59.080 58.000 -0.078 0.000 1.214 472 F CB -0.904 37.931 39.000 -0.274 0.000 0.978 472 F HN 0.046 nan 8.300 nan 0.000 0.474 473 A N 0.228 123.078 122.820 0.050 0.000 1.852 473 A HA -0.340 3.980 4.320 -0.000 0.000 0.217 473 A C 2.161 179.722 177.584 -0.038 0.000 1.215 473 A CA 2.315 54.340 52.037 -0.019 0.000 0.641 473 A CB -1.395 17.637 19.000 0.054 0.000 0.838 473 A HN 0.558 nan 8.150 nan 0.000 0.450 474 Q N -1.286 118.523 119.800 0.015 0.000 2.142 474 Q HA -0.307 4.033 4.340 -0.000 0.000 0.213 474 Q C 2.396 178.439 176.000 0.072 0.000 1.004 474 Q CA 2.435 58.258 55.803 0.034 0.000 0.883 474 Q CB -0.240 28.523 28.738 0.041 0.000 0.939 474 Q HN 0.642 nan 8.270 nan 0.000 0.413 475 R N 0.025 120.596 120.500 0.117 0.000 2.096 475 R HA -0.187 4.153 4.340 -0.000 0.000 0.240 475 R C 2.218 178.742 176.300 0.374 0.000 1.139 475 R CA 1.565 57.801 56.100 0.226 0.000 0.952 475 R CB -0.264 30.232 30.300 0.327 0.000 0.854 475 R HN 0.259 nan 8.270 nan 0.000 0.436 476 L N 0.020 121.370 121.223 0.212 0.000 2.027 476 L HA -0.196 4.144 4.340 -0.000 0.000 0.206 476 L C 2.608 179.647 176.870 0.283 0.000 1.074 476 L CA 1.337 56.310 54.840 0.223 0.000 0.745 476 L CB -0.287 41.610 42.059 -0.269 0.000 0.898 476 L HN 0.296 nan 8.230 nan 0.000 0.433 477 M N -0.872 118.775 119.600 0.078 0.000 2.106 477 M HA -0.293 4.187 4.480 -0.000 0.000 0.259 477 M C 2.431 178.825 176.300 0.156 0.000 1.068 477 M CA 1.749 57.084 55.300 0.059 0.000 1.100 477 M CB -0.773 31.821 32.600 -0.010 0.000 1.351 477 M HN 0.171 nan 8.290 nan 0.000 0.404 478 R N 0.379 120.965 120.500 0.143 0.000 2.094 478 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 478 R C 1.990 178.381 176.300 0.152 0.000 1.137 478 R CA 2.147 58.297 56.100 0.084 0.000 0.943 478 R CB -0.530 29.752 30.300 -0.030 0.000 0.850 478 R HN 0.418 nan 8.270 nan 0.000 0.433 479 Y N -1.651 118.795 120.300 0.244 0.000 2.274 479 Y HA -0.255 4.295 4.550 -0.000 0.000 0.290 479 Y C 2.305 178.288 175.900 0.137 0.000 1.145 479 Y CA 0.704 58.946 58.100 0.237 0.000 1.203 479 Y CB -0.281 38.424 38.460 0.407 0.000 0.984 479 Y HN 0.232 nan 8.280 nan 0.000 0.533 480 W N 0.167 121.546 121.300 0.131 0.000 2.413 480 W HA -0.156 4.504 4.660 -0.000 0.000 0.315 480 W C 2.673 179.169 176.519 -0.038 0.000 1.186 480 W CA 1.302 58.638 57.345 -0.015 0.000 1.326 480 W CB -0.686 28.683 29.460 -0.150 0.000 1.153 480 W HN 0.061 nan 8.180 nan 0.000 0.489 481 A N 1.162 124.063 122.820 0.136 0.000 1.892 481 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 481 A C 1.682 179.268 177.584 0.003 0.000 1.188 481 A CA 2.379 54.434 52.037 0.030 0.000 0.631 481 A CB -1.273 17.738 19.000 0.018 0.000 0.822 481 A HN 0.331 nan 8.150 nan 0.000 0.447 482 N N -0.932 117.778 118.700 0.016 0.000 2.060 482 N HA -0.202 4.538 4.740 -0.000 0.000 0.195 482 N C 1.365 176.839 175.510 -0.060 0.000 1.028 482 N CA 1.872 54.908 53.050 -0.023 0.000 0.861 482 N CB -0.685 37.792 38.487 -0.017 0.000 1.029 482 N HN 0.596 nan 8.380 nan 0.000 0.428 483 F N 1.037 120.863 119.950 -0.206 0.000 2.234 483 F HA 0.057 4.584 4.527 -0.000 0.000 0.299 483 F C 2.063 177.723 175.800 -0.234 0.000 1.087 483 F CA 0.983 58.793 58.000 -0.316 0.000 1.340 483 F CB -0.341 38.361 39.000 -0.498 0.000 1.031 483 F HN 0.041 nan 8.300 nan 0.000 0.500 484 A N 1.511 124.246 122.820 -0.141 0.000 1.851 484 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 484 A C 2.401 179.863 177.584 -0.203 0.000 1.195 484 A CA 2.028 53.971 52.037 -0.155 0.000 0.622 484 A CB -0.815 18.148 19.000 -0.062 0.000 0.831 484 A HN 0.454 nan 8.150 nan 0.000 0.444 485 R N -0.966 119.445 120.500 -0.148 0.000 2.082 485 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 485 R C 2.325 178.517 176.300 -0.180 0.000 1.136 485 R CA 2.161 58.186 56.100 -0.125 0.000 0.935 485 R CB -0.916 29.335 30.300 -0.082 0.000 0.842 485 R HN 0.738 nan 8.270 nan 0.000 0.430 486 T N -4.136 110.281 114.554 -0.229 0.000 2.990 486 T HA 0.252 4.602 4.350 -0.000 0.000 0.249 486 T C 1.214 175.730 174.700 -0.307 0.000 1.039 486 T CA 0.468 62.441 62.100 -0.212 0.000 1.036 486 T CB 1.024 69.805 68.868 -0.145 0.000 0.994 486 T HN 0.471 nan 8.240 nan 0.000 0.489 487 G N 1.292 109.757 108.800 -0.559 0.000 2.165 487 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.226 487 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.226 487 G C -0.439 174.148 174.900 -0.522 0.000 1.035 487 G CA 0.087 44.752 45.100 -0.725 0.000 0.744 487 G HN 0.873 nan 8.290 nan 0.000 0.501 488 D N -0.871 119.285 120.400 -0.406 0.000 2.711 488 D HA 0.204 4.844 4.640 -0.000 0.000 0.204 488 D C -2.490 173.739 176.300 -0.120 0.000 1.257 488 D CA -0.668 53.164 54.000 -0.280 0.000 0.808 488 D CB 1.616 42.380 40.800 -0.059 0.000 1.780 488 D HN -0.057 nan 8.370 nan 0.000 0.537 489 P HA 0.047 nan 4.420 nan 0.000 0.235 489 P C 0.004 177.342 177.300 0.063 0.000 1.177 489 P CA 0.417 63.486 63.100 -0.053 0.000 0.785 489 P CB 0.123 31.654 31.700 -0.282 0.000 0.885 490 N N 0.361 119.125 118.700 0.107 0.000 2.466 490 N HA 0.253 4.993 4.740 -0.000 0.000 0.294 490 N C -0.406 175.120 175.510 0.027 0.000 1.129 490 N CA -0.764 52.346 53.050 0.100 0.000 0.931 490 N CB 1.171 39.786 38.487 0.214 0.000 1.193 490 N HN -0.239 nan 8.380 nan 0.000 0.500 491 E N 0.977 121.169 120.200 -0.014 0.000 2.480 491 E HA 0.000 4.350 4.350 -0.000 0.000 0.258 491 E C -1.466 175.140 176.600 0.010 0.000 0.984 491 E CA -1.274 55.117 56.400 -0.016 0.000 0.930 491 E CB 0.736 30.421 29.700 -0.025 0.000 0.936 491 E HN 0.473 nan 8.360 nan 0.000 0.466 492 P HA -0.059 nan 4.420 nan 0.000 0.224 492 P C 0.004 177.314 177.300 0.016 0.000 1.157 492 P CA 0.690 63.799 63.100 0.015 0.000 0.799 492 P CB 0.395 32.098 31.700 0.004 0.000 0.809 493 R N 0.995 121.501 120.500 0.010 0.000 3.570 493 R HA 0.211 4.551 4.340 -0.000 0.000 0.233 493 R C -0.760 175.548 176.300 0.012 0.000 1.492 493 R CA 0.035 56.141 56.100 0.010 0.000 1.504 493 R CB -0.747 29.555 30.300 0.005 0.000 1.314 493 R HN -0.136 nan 8.270 nan 0.000 0.687 494 D N 1.621 122.032 120.400 0.019 0.000 3.474 494 D HA -0.011 4.629 4.640 -0.000 0.000 0.206 494 D C -1.787 174.531 176.300 0.031 0.000 1.415 494 D CA -0.524 53.489 54.000 0.022 0.000 1.335 494 D CB 0.747 41.559 40.800 0.019 0.000 1.215 494 D HN 0.217 nan 8.370 nan 0.000 0.753 495 P HA -0.232 nan 4.420 nan 0.000 0.217 495 P C 1.494 178.815 177.300 0.037 0.000 1.148 495 P CA 0.645 63.765 63.100 0.034 0.000 0.834 495 P CB 0.419 32.136 31.700 0.028 0.000 0.783 496 K N 1.161 121.580 120.400 0.031 0.000 2.089 496 K HA -0.136 4.184 4.320 -0.000 0.000 0.210 496 K C 0.909 177.531 176.600 0.037 0.000 1.048 496 K CA 1.511 57.816 56.287 0.029 0.000 0.926 496 K CB -0.973 31.541 32.500 0.023 0.000 0.714 496 K HN 0.197 nan 8.250 nan 0.000 0.448 497 A N 1.791 124.638 122.820 0.044 0.000 2.279 497 A HA 0.476 4.796 4.320 -0.000 0.000 0.303 497 A C -2.316 175.317 177.584 0.081 0.000 1.108 497 A CA -1.441 50.630 52.037 0.056 0.000 0.830 497 A CB 0.095 19.125 19.000 0.049 0.000 1.106 497 A HN 0.176 nan 8.150 nan 0.000 0.493 498 P HA -0.021 nan 4.420 nan 0.000 0.255 498 P C -0.598 176.800 177.300 0.163 0.000 1.161 498 P CA 0.398 63.566 63.100 0.112 0.000 0.768 498 P CB 0.228 32.000 31.700 0.120 0.000 0.746 499 Q N 1.798 121.683 119.800 0.143 0.000 2.352 499 Q HA 0.113 4.453 4.340 -0.000 0.000 0.260 499 Q C -0.458 175.712 176.000 0.284 0.000 0.976 499 Q CA 0.364 56.279 55.803 0.188 0.000 0.881 499 Q CB 0.651 29.466 28.738 0.128 0.000 1.235 499 Q HN 0.538 nan 8.270 nan 0.000 0.419 500 W N 6.520 127.903 121.300 0.139 0.000 2.278 500 W HA 0.379 5.039 4.660 -0.000 0.000 0.317 500 W C -2.559 173.964 176.519 0.007 0.000 1.030 500 W CA -2.650 54.775 57.345 0.133 0.000 1.334 500 W CB 0.728 30.350 29.460 0.269 0.000 1.215 500 W HN 0.407 nan 8.180 nan 0.000 0.405 501 P HA 0.258 nan 4.420 nan 0.000 0.276 501 P C -2.587 174.647 177.300 -0.110 0.000 1.252 501 P CA -1.742 61.400 63.100 0.070 0.000 0.802 501 P CB 0.349 32.084 31.700 0.058 0.000 1.035 502 P HA -0.007 nan 4.420 nan 0.000 0.261 502 P C -0.289 177.008 177.300 -0.005 0.000 1.183 502 P CA 0.552 63.442 63.100 -0.350 0.000 0.761 502 P CB -0.176 31.410 31.700 -0.190 0.000 0.785 503 Y N 4.060 124.368 120.300 0.014 0.000 2.357 503 Y HA 0.385 4.935 4.550 -0.000 0.000 0.340 503 Y C 0.152 176.093 175.900 0.068 0.000 1.260 503 Y CA 0.891 59.048 58.100 0.096 0.000 1.425 503 Y CB 0.698 39.258 38.460 0.166 0.000 1.326 503 Y HN 0.420 nan 8.280 nan 0.000 0.580 504 T N 1.856 116.125 114.554 -0.475 0.000 3.709 504 T HA 0.466 4.816 4.350 -0.000 0.000 0.378 504 T C 0.261 174.725 174.700 -0.394 0.000 1.352 504 T CA -0.425 61.514 62.100 -0.268 0.000 1.144 504 T CB 0.643 69.400 68.868 -0.184 0.000 1.289 504 T HN 0.823 nan 8.240 nan 0.000 0.476 505 A N 2.653 125.388 122.820 -0.141 0.000 1.903 505 A HA 0.072 4.392 4.320 -0.000 0.000 0.219 505 A C 2.272 179.798 177.584 -0.097 0.000 1.191 505 A CA 2.579 54.575 52.037 -0.070 0.000 0.638 505 A CB -1.307 17.703 19.000 0.017 0.000 0.823 505 A HN 1.244 nan 8.150 nan 0.000 0.451 506 G N -1.643 107.107 108.800 -0.083 0.000 2.411 506 G HA2 0.198 4.158 3.960 -0.000 0.000 0.213 506 G HA3 0.198 4.158 3.960 -0.000 0.000 0.213 506 G C 1.652 176.501 174.900 -0.085 0.000 1.166 506 G CA 1.133 46.198 45.100 -0.059 0.000 0.802 506 G HN 0.842 nan 8.290 nan 0.000 0.533 507 A N -0.225 122.519 122.820 -0.127 0.000 1.975 507 A HA 0.198 4.518 4.320 -0.000 0.000 0.215 507 A C 1.295 178.796 177.584 -0.137 0.000 1.170 507 A CA 1.060 53.033 52.037 -0.105 0.000 0.656 507 A CB -0.279 18.668 19.000 -0.089 0.000 0.821 507 A HN 0.437 nan 8.150 nan 0.000 0.449 508 Q N 0.011 119.616 119.800 -0.324 0.000 2.447 508 Q HA -0.209 4.131 4.340 -0.000 0.000 0.348 508 Q C -0.970 175.025 176.000 -0.008 0.000 1.421 508 Q CA 0.792 56.338 55.803 -0.428 0.000 0.978 508 Q CB -1.733 26.965 28.738 -0.068 0.000 1.191 508 Q HN 0.893 nan 8.270 nan 0.000 0.371 509 Q N 0.736 120.544 119.800 0.014 0.000 2.266 509 Q HA 0.716 5.056 4.340 -0.000 0.000 0.261 509 Q C -0.475 175.743 176.000 0.364 0.000 0.985 509 Q CA -0.755 55.130 55.803 0.138 0.000 0.873 509 Q CB 1.214 29.961 28.738 0.015 0.000 1.306 509 Q HN 0.375 nan 8.270 nan 0.000 0.447 510 Y N -2.212 118.184 120.300 0.159 0.000 2.562 510 Y HA 0.662 5.212 4.550 -0.000 0.000 0.345 510 Y C -0.550 175.297 175.900 -0.089 0.000 1.045 510 Y CA -1.576 56.588 58.100 0.106 0.000 1.028 510 Y CB 0.470 39.005 38.460 0.125 0.000 1.297 510 Y HN 0.495 nan 8.280 nan 0.000 0.463 511 V N 0.024 119.782 119.914 -0.259 0.000 3.295 511 V HA 0.803 4.923 4.120 -0.000 0.000 0.308 511 V C 0.165 176.192 176.094 -0.112 0.000 1.068 511 V CA -0.122 61.936 62.300 -0.403 0.000 1.062 511 V CB 1.230 32.553 31.823 -0.834 0.000 1.162 511 V HN 1.192 nan 8.190 nan 0.000 0.456 512 S N 1.875 117.504 115.700 -0.119 0.000 2.475 512 S HA 0.718 5.188 4.470 -0.000 0.000 0.298 512 S C -0.775 173.775 174.600 -0.083 0.000 1.119 512 S CA -0.774 57.426 58.200 0.000 0.000 1.085 512 S CB 0.766 63.971 63.200 0.007 0.000 1.028 512 S HN 0.778 nan 8.310 nan 0.000 0.489 513 L N 4.140 125.345 121.223 -0.030 0.000 2.276 513 L HA 0.620 4.960 4.340 -0.000 0.000 0.286 513 L C -0.527 176.225 176.870 -0.198 0.000 1.024 513 L CA -0.397 54.400 54.840 -0.071 0.000 0.826 513 L CB 0.781 42.835 42.059 -0.009 0.000 1.211 513 L HN 0.867 nan 8.230 nan 0.000 0.422 514 D N 1.769 121.960 120.400 -0.350 0.000 3.236 514 D HA 0.276 4.916 4.640 -0.000 0.000 0.325 514 D C 0.641 176.300 176.300 -1.068 0.000 1.352 514 D CA -0.725 52.791 54.000 -0.807 0.000 0.979 514 D CB 0.548 41.080 40.800 -0.446 0.000 1.410 514 D HN 0.133 nan 8.370 nan 0.000 0.588 515 L N -0.908 119.728 121.223 -0.977 0.000 2.093 515 L HA 0.086 4.426 4.340 -0.000 0.000 0.208 515 L C 1.259 177.910 176.870 -0.365 0.000 1.085 515 L CA 0.710 55.099 54.840 -0.751 0.000 0.755 515 L CB -0.442 41.254 42.059 -0.605 0.000 0.904 515 L HN 0.075 nan 8.230 nan 0.000 0.435 516 R N 0.424 120.768 120.500 -0.261 0.000 2.758 516 R HA 0.040 4.380 4.340 -0.000 0.000 0.263 516 R C -2.082 174.159 176.300 -0.099 0.000 1.010 516 R CA -1.397 54.617 56.100 -0.143 0.000 1.114 516 R CB -0.518 29.716 30.300 -0.109 0.000 0.985 516 R HN -0.090 nan 8.270 nan 0.000 0.439 517 P HA -0.078 nan 4.420 nan 0.000 0.267 517 P C -0.278 177.023 177.300 0.001 0.000 1.201 517 P CA 0.190 63.297 63.100 0.011 0.000 0.775 517 P CB 0.405 32.117 31.700 0.020 0.000 0.854 518 L N 1.683 122.932 121.223 0.042 0.000 2.678 518 L HA -0.108 4.232 4.340 -0.000 0.000 0.285 518 L C 1.201 178.045 176.870 -0.044 0.000 1.233 518 L CA 0.956 55.790 54.840 -0.011 0.000 0.920 518 L CB -0.437 41.643 42.059 0.035 0.000 1.176 518 L HN 0.462 nan 8.230 nan 0.000 0.495 519 E N 2.024 122.174 120.200 -0.083 0.000 2.280 519 E HA 0.456 4.806 4.350 -0.000 0.000 0.264 519 E C -1.088 175.428 176.600 -0.140 0.000 1.064 519 E CA -0.737 55.609 56.400 -0.090 0.000 0.900 519 E CB 2.027 31.677 29.700 -0.084 0.000 1.123 519 E HN 0.277 nan 8.360 nan 0.000 0.418 520 V N 3.846 123.675 119.914 -0.142 0.000 2.376 520 V HA 0.321 4.441 4.120 -0.000 0.000 0.287 520 V C -0.219 175.711 176.094 -0.274 0.000 1.015 520 V CA -0.542 61.636 62.300 -0.205 0.000 0.834 520 V CB 1.128 32.878 31.823 -0.121 0.000 1.001 520 V HN 0.574 nan 8.190 nan 0.000 0.428 521 R N 4.498 124.680 120.500 -0.530 0.000 2.691 521 R HA 0.785 5.125 4.340 -0.000 0.000 0.259 521 R C -0.695 175.239 176.300 -0.610 0.000 1.048 521 R CA -0.935 54.825 56.100 -0.565 0.000 1.086 521 R CB 1.748 31.701 30.300 -0.578 0.000 1.166 521 R HN 0.647 nan 8.270 nan 0.000 0.526 522 R N -0.674 119.675 120.500 -0.253 0.000 2.686 522 R HA 0.596 4.936 4.340 -0.000 0.000 0.283 522 R C -0.573 175.840 176.300 0.188 0.000 0.978 522 R CA -0.803 55.269 56.100 -0.046 0.000 0.897 522 R CB 1.939 32.224 30.300 -0.025 0.000 1.192 522 R HN 0.847 nan 8.270 nan 0.000 0.457 523 G N 1.662 110.663 108.800 0.336 0.000 3.399 523 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.685 523 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.685 523 G C -1.247 173.932 174.900 0.465 0.000 0.952 523 G CA -0.862 44.443 45.100 0.341 0.000 0.793 523 G HN 0.397 nan 8.290 nan 0.000 0.492 524 L N 3.412 124.816 121.223 0.302 0.000 2.314 524 L HA 0.697 5.037 4.340 -0.000 0.000 0.275 524 L C 1.192 178.100 176.870 0.063 0.000 1.068 524 L CA -0.894 53.949 54.840 0.006 0.000 0.894 524 L CB 0.133 42.137 42.059 -0.091 0.000 1.275 524 L HN 0.758 nan 8.230 nan 0.000 0.432 525 R N 2.823 123.378 120.500 0.092 0.000 3.109 525 R HA -0.276 4.063 4.340 -0.000 0.000 0.241 525 R C 1.470 177.869 176.300 0.165 0.000 0.882 525 R CA 0.699 56.882 56.100 0.138 0.000 0.604 525 R CB -0.958 29.429 30.300 0.145 0.000 1.040 525 R HN 0.808 nan 8.270 nan 0.000 0.480 526 A N 0.372 123.291 122.820 0.165 0.000 1.940 526 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 526 A C 1.802 179.479 177.584 0.155 0.000 1.176 526 A CA 1.289 53.423 52.037 0.162 0.000 0.631 526 A CB -0.113 18.977 19.000 0.149 0.000 0.814 526 A HN 0.504 nan 8.150 nan 0.000 0.446 527 Q N -0.914 118.972 119.800 0.144 0.000 2.187 527 Q HA 0.085 4.425 4.340 -0.000 0.000 0.199 527 Q C 2.394 178.490 176.000 0.161 0.000 0.957 527 Q CA 1.345 57.227 55.803 0.131 0.000 0.857 527 Q CB -0.551 28.246 28.738 0.099 0.000 0.929 527 Q HN 0.643 nan 8.270 nan 0.000 0.453 528 A N 0.020 122.958 122.820 0.196 0.000 1.854 528 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 528 A C 2.428 180.257 177.584 0.409 0.000 1.192 528 A CA 1.276 53.490 52.037 0.295 0.000 0.611 528 A CB -0.916 18.312 19.000 0.380 0.000 0.832 528 A HN 0.442 nan 8.150 nan 0.000 0.442 529 c N -0.537 118.273 118.600 0.349 0.000 2.422 529 c HA 0.122 4.692 4.570 -0.000 0.000 0.286 529 c C 3.147 177.386 174.090 0.248 0.000 1.412 529 c CA 0.532 57.060 56.329 0.331 0.000 1.786 529 c CB -1.432 41.217 42.510 0.232 0.000 1.835 529 c HN 0.668 nan 8.230 nan 0.000 0.533 530 A N -0.284 122.657 122.820 0.203 0.000 1.968 530 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 530 A C 1.821 179.487 177.584 0.137 0.000 1.169 530 A CA 1.216 53.345 52.037 0.153 0.000 0.638 530 A CB -0.626 18.454 19.000 0.133 0.000 0.812 530 A HN 0.555 nan 8.150 nan 0.000 0.446 531 F N -0.906 119.024 119.950 -0.033 0.000 2.098 531 F HA -0.080 4.447 4.527 -0.000 0.000 0.294 531 F C 1.937 177.661 175.800 -0.127 0.000 1.107 531 F CA 1.442 59.311 58.000 -0.219 0.000 1.234 531 F CB -0.553 38.044 39.000 -0.673 0.000 1.002 531 F HN 0.352 nan 8.300 nan 0.000 0.472 532 W N 1.026 122.277 121.300 -0.081 0.000 2.379 532 W HA -0.167 4.493 4.660 -0.000 0.000 0.307 532 W C 2.254 178.672 176.519 -0.169 0.000 1.200 532 W CA 1.186 58.428 57.345 -0.172 0.000 1.297 532 W CB -0.580 28.929 29.460 0.082 0.000 1.140 532 W HN -0.009 nan 8.180 nan 0.000 0.507 533 N N -0.143 118.652 118.700 0.158 0.000 2.333 533 N HA 0.002 4.742 4.740 -0.000 0.000 0.178 533 N C 1.467 176.990 175.510 0.020 0.000 1.018 533 N CA 1.059 54.154 53.050 0.075 0.000 0.882 533 N CB -0.359 38.179 38.487 0.086 0.000 0.984 533 N HN 0.308 nan 8.380 nan 0.000 0.434 534 R N -1.080 119.435 120.500 0.024 0.000 2.164 534 R HA 0.220 4.560 4.340 -0.000 0.000 0.198 534 R C 1.555 177.865 176.300 0.016 0.000 1.028 534 R CA 0.022 56.142 56.100 0.034 0.000 1.083 534 R CB -0.310 30.038 30.300 0.080 0.000 1.026 534 R HN 0.049 nan 8.270 nan 0.000 0.514 535 F N 1.850 121.705 119.950 -0.159 0.000 2.147 535 F HA 0.075 4.602 4.527 0.000 0.000 0.291 535 F C 1.955 177.610 175.800 -0.241 0.000 1.093 535 F CA 0.886 58.785 58.000 -0.168 0.000 1.263 535 F CB -0.274 38.657 39.000 -0.114 0.000 1.036 535 F HN -0.142 nan 8.300 nan 0.000 0.481 536 L N 1.066 121.870 121.223 -0.697 0.000 2.043 536 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 536 L C -0.576 176.028 176.870 -0.444 0.000 1.075 536 L CA 2.208 56.618 54.840 -0.716 0.000 0.752 536 L CB -2.059 39.552 42.059 -0.746 0.000 0.891 536 L HN 0.101 nan 8.230 nan 0.000 0.432 537 P HA -0.189 nan 4.420 nan 0.000 0.215 537 P C 1.448 178.618 177.300 -0.216 0.000 1.153 537 P CA 1.580 64.568 63.100 -0.188 0.000 0.853 537 P CB -0.037 31.589 31.700 -0.123 0.000 0.788 538 K N -0.738 119.496 120.400 -0.276 0.000 2.097 538 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 538 K C 2.149 178.570 176.600 -0.299 0.000 1.049 538 K CA 0.999 57.139 56.287 -0.246 0.000 0.933 538 K CB -0.870 31.508 32.500 -0.202 0.000 0.717 538 K HN 0.195 nan 8.250 nan 0.000 0.442 539 L N 1.237 122.159 121.223 -0.502 0.000 2.027 539 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 539 L C 2.270 179.016 176.870 -0.207 0.000 1.074 539 L CA 1.100 55.702 54.840 -0.397 0.000 0.745 539 L CB -0.165 41.580 42.059 -0.524 0.000 0.898 539 L HN 0.178 nan 8.230 nan 0.000 0.433 540 L N -0.421 120.684 121.223 -0.198 0.000 2.042 540 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 540 L C 2.282 179.101 176.870 -0.085 0.000 1.076 540 L CA 1.674 56.448 54.840 -0.111 0.000 0.749 540 L CB -0.446 41.557 42.059 -0.093 0.000 0.893 540 L HN 0.432 nan 8.230 nan 0.000 0.432 541 S N -1.462 114.181 115.700 -0.096 0.000 2.622 541 S HA 0.347 4.817 4.470 -0.000 0.000 0.236 541 S C 0.912 175.477 174.600 -0.058 0.000 0.956 541 S CA 0.129 58.289 58.200 -0.067 0.000 0.971 541 S CB 0.613 63.777 63.200 -0.061 0.000 0.782 541 S HN 0.264 nan 8.310 nan 0.000 0.468 542 A N 0.984 123.767 122.820 -0.063 0.000 2.508 542 A HA 0.486 4.806 4.320 -0.000 0.000 0.250 542 A C 0.895 178.461 177.584 -0.029 0.000 1.208 542 A CA 0.268 52.281 52.037 -0.041 0.000 0.960 542 A CB 0.138 19.115 19.000 -0.039 0.000 1.099 542 A HN 0.602 nan 8.150 nan 0.000 0.542 543 T N 0.000 114.534 114.554 -0.033 0.000 3.816 543 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 543 T CA 0.000 62.089 62.100 -0.019 0.000 1.349 543 T CB 0.000 68.860 68.868 -0.014 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658