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 3dt7_1_A DATA FIRST_RESID -1 DATA SEQUENCE GSMPPQLHNG LDFSAKVIQG SLDSLPQEVR KFVEGNAQLC QPEYIHICDG DATA SEQUENCE SEEEYGRLLA HMQEEGVIRK LKKYDNCWLA LTDPRDVARI ESKTVIITQE DATA SEQUENCE QRDTVPIPKS GQSQLGRWMS EEDFEKAFNA RFPGCMKGRT MYVIPFSMGP DATA SEQUENCE LGSPLAKIGI ELTDSPYVVA SMRIMTRMGT SVLEALGDGE FIKCLHSVGC DATA SEQUENCE PLPLKKPLVN NWACNPELTL IAHLPDRREI ISFGSGYGGN SLLGKKCFAL DATA SEQUENCE RIASRLAKEE GWLAEHMLIL GITNPEGKKK YLAAAFPSAC GKTNLAMMNP DATA SEQUENCE TLPGWKVECV GDDIAWMKFD AQGNLRAINP ENGFFGVAPG TSVKTNPNAI DATA SEQUENCE KTIQKNTIFT NVAETSDGGV YWEGIDEPLA PGVTITSWKN KEWRPQDEEP DATA SEQUENCE CAHPNSRFCT PASQCPIIDP AWESPEGVPI EGIIFGGRRP AGVPLVYEAL DATA SEQUENCE SWQHGVFVGA AMRSEATAAA EHKGKVIMHD PFAMRPFFGY NFGKYLAHWL DATA SEQUENCE SMAHRPAAKL PKIFHVNWFR KDKNGKFLWP GFGENSRVLE WMFGRIEGED DATA SEQUENCE SAKLTPIGYV PKEDALNLKG LGDVNVEELF GISKEFWEKE VEEIDKYLED DATA SEQUENCE QVNADLPYEI ERELRALKQR ISQM 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 -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.950 3.960 -0.016 0.000 0.244 -1 G C 0.000 174.917 174.900 0.028 0.000 0.946 -1 G CA 0.000 45.116 45.100 0.027 0.000 0.502 0 S N -0.134 115.585 115.700 0.031 0.000 2.601 0 S HA 0.586 5.046 4.470 -0.016 0.000 0.271 0 S C 0.684 175.305 174.600 0.035 0.000 1.305 0 S CA -0.505 57.712 58.200 0.029 0.000 1.022 0 S CB 1.354 64.569 63.200 0.025 0.000 0.940 0 S HN 0.852 nan 8.310 nan 0.000 0.525 1 M N 2.872 122.491 119.600 0.032 0.000 2.252 1 M HA 0.170 4.640 4.480 -0.016 0.000 0.348 1 M C -2.190 174.134 176.300 0.039 0.000 1.334 1 M CA -1.472 53.851 55.300 0.037 0.000 1.071 1 M CB 0.261 32.878 32.600 0.028 0.000 1.763 1 M HN 0.505 nan 8.290 nan 0.000 0.452 2 P HA 0.255 nan 4.420 nan 0.000 0.268 2 P C -2.693 174.630 177.300 0.039 0.000 1.205 2 P CA -1.017 62.113 63.100 0.050 0.000 0.771 2 P CB -0.673 31.069 31.700 0.069 0.000 0.858 3 P HA 0.139 nan 4.420 nan 0.000 0.267 3 P C -0.527 176.785 177.300 0.020 0.000 1.205 3 P CA 0.438 63.550 63.100 0.019 0.000 0.765 3 P CB 0.419 32.129 31.700 0.017 0.000 0.828 4 Q N 1.760 121.562 119.800 0.004 0.000 2.372 4 Q HA 0.359 4.689 4.340 -0.016 0.000 0.273 4 Q C 0.331 176.299 176.000 -0.054 0.000 1.078 4 Q CA -0.736 55.067 55.803 -0.001 0.000 0.806 4 Q CB 2.155 30.898 28.738 0.008 0.000 1.332 4 Q HN 0.348 nan 8.270 nan 0.000 0.435 5 L N 0.995 122.161 121.223 -0.094 0.000 2.554 5 L HA 0.125 4.456 4.340 -0.016 0.000 0.225 5 L C 0.285 176.760 176.870 -0.659 0.000 1.104 5 L CA 0.683 55.338 54.840 -0.308 0.000 0.866 5 L CB 0.127 42.012 42.059 -0.291 0.000 1.047 5 L HN 0.680 nan 8.230 nan 0.000 0.468 6 H N -2.141 116.928 119.070 -0.002 0.000 4.614 6 H HA 0.332 4.879 4.556 -0.016 0.000 0.379 6 H C 0.007 175.326 175.328 -0.016 0.000 1.214 6 H CA -0.681 55.362 56.048 -0.009 0.000 0.525 6 H CB 0.513 30.269 29.762 -0.010 0.000 1.205 6 H HN -0.162 nan 8.280 nan 0.000 0.669 7 N N 0.182 118.963 118.700 0.135 0.000 2.390 7 N HA 0.134 4.865 4.740 -0.016 0.000 0.259 7 N C 0.294 175.794 175.510 -0.017 0.000 1.395 7 N CA 0.424 53.491 53.050 0.029 0.000 0.852 7 N CB 1.891 40.380 38.487 0.004 0.000 1.371 7 N HN 0.576 nan 8.380 nan 0.000 0.491 8 G N 0.011 108.824 108.800 0.022 0.000 3.088 8 G HA2 0.192 4.143 3.960 -0.016 0.000 0.217 8 G HA3 0.192 4.143 3.960 -0.016 0.000 0.217 8 G C 1.170 176.088 174.900 0.030 0.000 1.159 8 G CA 0.077 45.171 45.100 -0.010 0.000 0.760 8 G HN 0.120 nan 8.290 nan 0.000 0.550 9 L N -0.643 120.619 121.223 0.065 0.000 2.685 9 L HA 0.276 4.606 4.340 -0.016 0.000 0.235 9 L C 0.196 177.197 176.870 0.218 0.000 1.070 9 L CA -0.153 54.785 54.840 0.163 0.000 0.888 9 L CB 0.483 42.616 42.059 0.123 0.000 1.203 9 L HN -0.032 nan 8.230 nan 0.000 0.499 10 D N 0.261 120.722 120.400 0.102 0.000 2.339 10 D HA 0.079 4.709 4.640 -0.016 0.000 0.241 10 D C 0.201 176.541 176.300 0.068 0.000 1.183 10 D CA -0.065 54.002 54.000 0.112 0.000 0.859 10 D CB 0.728 41.555 40.800 0.046 0.000 1.067 10 D HN -0.008 nan 8.370 nan 0.000 0.484 11 F N 2.011 121.968 119.950 0.012 0.000 2.664 11 F HA 0.048 4.565 4.527 -0.016 0.000 0.301 11 F C 2.265 178.073 175.800 0.014 0.000 1.126 11 F CA -0.234 57.772 58.000 0.011 0.000 1.373 11 F CB 0.336 39.340 39.000 0.005 0.000 1.042 11 F HN 0.309 nan 8.300 nan 0.000 0.535 12 S N 0.433 116.200 115.700 0.112 0.000 2.383 12 S HA -0.260 4.200 4.470 -0.016 0.000 0.229 12 S C 2.382 177.010 174.600 0.048 0.000 1.030 12 S CA 1.271 59.513 58.200 0.071 0.000 1.002 12 S CB -0.324 62.900 63.200 0.040 0.000 0.829 12 S HN 0.460 nan 8.310 nan 0.000 0.467 13 A N 0.768 123.597 122.820 0.015 0.000 2.172 13 A HA 0.020 4.330 4.320 -0.016 0.000 0.216 13 A C 1.800 179.415 177.584 0.052 0.000 1.154 13 A CA 0.961 53.003 52.037 0.009 0.000 0.701 13 A CB -0.161 18.823 19.000 -0.027 0.000 0.789 13 A HN 0.417 nan 8.150 nan 0.000 0.465 14 K N -0.499 119.957 120.400 0.094 0.000 2.358 14 K HA 0.236 4.546 4.320 -0.016 0.000 0.200 14 K C -0.600 176.125 176.600 0.208 0.000 1.030 14 K CA -0.135 56.276 56.287 0.205 0.000 1.097 14 K CB 0.867 33.502 32.500 0.224 0.000 0.862 14 K HN 0.211 nan 8.250 nan 0.000 0.534 15 V N 3.396 123.375 119.914 0.110 0.000 2.427 15 V HA 0.067 4.178 4.120 -0.016 0.000 0.268 15 V C 1.112 177.192 176.094 -0.023 0.000 1.046 15 V CA 0.030 62.360 62.300 0.050 0.000 0.970 15 V CB 0.532 32.372 31.823 0.030 0.000 1.001 15 V HN 0.264 nan 8.190 nan 0.000 0.476 16 I N 1.686 122.213 120.570 -0.072 0.000 3.968 16 I HA 0.402 4.562 4.170 -0.016 0.000 0.328 16 I C 0.585 176.602 176.117 -0.168 0.000 1.290 16 I CA 0.340 61.547 61.300 -0.154 0.000 1.163 16 I CB 0.278 38.113 38.000 -0.274 0.000 1.024 16 I HN 0.632 nan 8.210 nan 0.000 0.413 17 Q N 1.318 120.985 119.800 -0.223 0.000 2.320 17 Q HA 0.531 4.861 4.340 -0.016 0.000 0.272 17 Q C -0.192 175.678 176.000 -0.217 0.000 1.023 17 Q CA 0.085 55.710 55.803 -0.297 0.000 0.855 17 Q CB 2.142 30.471 28.738 -0.682 0.000 1.367 17 Q HN 0.490 nan 8.270 nan 0.000 0.406 18 G N 1.697 110.414 108.800 -0.139 0.000 2.568 18 G HA2 -0.117 3.834 3.960 -0.016 0.000 0.222 18 G HA3 -0.117 3.834 3.960 -0.016 0.000 0.222 18 G C -0.890 173.978 174.900 -0.054 0.000 1.321 18 G CA -0.214 44.835 45.100 -0.085 0.000 0.893 18 G HN 1.161 nan 8.290 nan 0.000 0.569 19 S N -1.401 114.278 115.700 -0.035 0.000 2.603 19 S HA 0.558 5.018 4.470 -0.016 0.000 0.274 19 S C 1.072 175.668 174.600 -0.007 0.000 1.168 19 S CA 0.181 58.371 58.200 -0.017 0.000 0.963 19 S CB 1.172 64.362 63.200 -0.015 0.000 1.078 19 S HN 1.091 nan 8.310 nan 0.000 0.477 20 L N 2.796 124.024 121.223 0.008 0.000 2.201 20 L HA -0.007 4.324 4.340 -0.016 0.000 0.212 20 L C 1.643 178.522 176.870 0.015 0.000 1.105 20 L CA 0.922 55.772 54.840 0.017 0.000 0.775 20 L CB -0.302 41.781 42.059 0.040 0.000 0.913 20 L HN 0.647 nan 8.230 nan 0.000 0.440 21 D N -0.302 120.105 120.400 0.012 0.000 2.178 21 D HA -0.133 4.497 4.640 -0.016 0.000 0.202 21 D C 2.276 178.578 176.300 0.003 0.000 0.974 21 D CA 1.684 55.690 54.000 0.010 0.000 0.841 21 D CB 0.067 40.872 40.800 0.008 0.000 0.953 21 D HN 0.367 nan 8.370 nan 0.000 0.478 22 S N -0.351 115.348 115.700 -0.003 0.000 2.558 22 S HA 0.069 4.529 4.470 -0.016 0.000 0.217 22 S C 1.036 175.628 174.600 -0.013 0.000 0.975 22 S CA -0.319 57.876 58.200 -0.008 0.000 0.912 22 S CB -0.142 63.050 63.200 -0.013 0.000 0.776 22 S HN 0.070 nan 8.310 nan 0.000 0.526 23 L N 2.137 123.353 121.223 -0.012 0.000 2.439 23 L HA 0.358 4.688 4.340 -0.016 0.000 0.269 23 L C -2.287 174.574 176.870 -0.015 0.000 1.179 23 L CA -2.220 52.606 54.840 -0.023 0.000 0.828 23 L CB 0.014 42.061 42.059 -0.021 0.000 1.106 23 L HN 0.024 nan 8.230 nan 0.000 0.467 24 P HA -0.041 nan 4.420 nan 0.000 0.267 24 P C 0.047 177.361 177.300 0.023 0.000 1.200 24 P CA -0.114 62.983 63.100 -0.005 0.000 0.772 24 P CB 0.580 32.269 31.700 -0.020 0.000 0.855 25 Q N 2.267 122.093 119.800 0.042 0.000 2.062 25 Q HA -0.270 4.060 4.340 -0.016 0.000 0.209 25 Q C 1.541 177.599 176.000 0.097 0.000 0.996 25 Q CA 2.089 57.928 55.803 0.058 0.000 0.859 25 Q CB -0.519 28.251 28.738 0.052 0.000 0.920 25 Q HN 0.373 nan 8.270 nan 0.000 0.415 26 E N -0.740 119.544 120.200 0.141 0.000 2.208 26 E HA -0.082 4.258 4.350 -0.016 0.000 0.193 26 E C 2.078 178.882 176.600 0.340 0.000 0.988 26 E CA 0.961 57.504 56.400 0.238 0.000 0.828 26 E CB -0.107 29.763 29.700 0.283 0.000 0.763 26 E HN 0.293 nan 8.360 nan 0.000 0.478 27 V N 1.381 121.385 119.914 0.150 0.000 2.295 27 V HA -0.235 3.875 4.120 -0.016 0.000 0.246 27 V C 2.620 178.777 176.094 0.104 0.000 1.049 27 V CA 1.896 64.186 62.300 -0.017 0.000 1.024 27 V CB -0.526 31.142 31.823 -0.259 0.000 0.648 27 V HN 0.195 nan 8.190 nan 0.000 0.447 28 R N 0.412 120.954 120.500 0.070 0.000 2.083 28 R HA -0.214 4.116 4.340 -0.016 0.000 0.237 28 R C 2.413 178.767 176.300 0.090 0.000 1.137 28 R CA 1.940 58.077 56.100 0.061 0.000 0.951 28 R CB -0.217 30.111 30.300 0.047 0.000 0.851 28 R HN 0.470 nan 8.270 nan 0.000 0.434 29 K N -0.486 119.992 120.400 0.130 0.000 2.103 29 K HA -0.184 4.127 4.320 -0.016 0.000 0.207 29 K C 1.932 178.639 176.600 0.179 0.000 1.048 29 K CA 1.553 57.920 56.287 0.133 0.000 0.930 29 K CB -0.311 32.272 32.500 0.137 0.000 0.716 29 K HN 0.154 nan 8.250 nan 0.000 0.444 30 F N 1.457 121.463 119.950 0.095 0.000 2.113 30 F HA -0.180 4.337 4.527 -0.016 0.000 0.297 30 F C 1.878 177.703 175.800 0.042 0.000 1.103 30 F CA 1.017 59.079 58.000 0.104 0.000 1.248 30 F CB -0.434 38.712 39.000 0.244 0.000 0.999 30 F HN -0.292 nan 8.300 nan 0.000 0.475 31 V N 0.378 120.216 119.914 -0.126 0.000 2.261 31 V HA -0.295 3.816 4.120 -0.016 0.000 0.246 31 V C 2.402 178.332 176.094 -0.274 0.000 1.047 31 V CA 2.366 64.501 62.300 -0.274 0.000 1.015 31 V CB -0.774 30.977 31.823 -0.121 0.000 0.642 31 V HN 0.327 nan 8.190 nan 0.000 0.446 32 E N -0.035 120.070 120.200 -0.159 0.000 2.106 32 E HA -0.125 4.215 4.350 -0.016 0.000 0.192 32 E C 2.294 178.771 176.600 -0.204 0.000 0.984 32 E CA 1.041 57.328 56.400 -0.189 0.000 0.806 32 E CB -0.396 29.298 29.700 -0.011 0.000 0.750 32 E HN 0.627 nan 8.360 nan 0.000 0.458 33 G N 0.908 109.647 108.800 -0.102 0.000 2.408 33 G HA2 -0.239 3.712 3.960 -0.016 0.000 0.217 33 G HA3 -0.239 3.712 3.960 -0.016 0.000 0.217 33 G C 1.471 176.306 174.900 -0.108 0.000 1.150 33 G CA 0.493 45.561 45.100 -0.054 0.000 0.776 33 G HN 0.157 nan 8.290 nan 0.000 0.542 34 N N 0.883 119.463 118.700 -0.200 0.000 2.409 34 N HA 0.020 4.750 4.740 -0.016 0.000 0.179 34 N C 2.455 177.816 175.510 -0.248 0.000 1.032 34 N CA 0.868 53.798 53.050 -0.200 0.000 0.898 34 N CB -0.055 38.246 38.487 -0.310 0.000 0.971 34 N HN 0.306 nan 8.380 nan 0.000 0.441 35 A N 1.263 123.821 122.820 -0.437 0.000 1.930 35 A HA -0.137 4.173 4.320 -0.016 0.000 0.217 35 A C 2.138 179.367 177.584 -0.591 0.000 1.175 35 A CA 1.034 52.654 52.037 -0.695 0.000 0.627 35 A CB -0.411 17.765 19.000 -1.374 0.000 0.815 35 A HN 0.278 nan 8.150 nan 0.000 0.443 36 Q N -0.998 118.559 119.800 -0.405 0.000 2.084 36 Q HA -0.159 4.172 4.340 -0.016 0.000 0.202 36 Q C 2.065 178.087 176.000 0.036 0.000 0.978 36 Q CA 1.562 57.372 55.803 0.010 0.000 0.844 36 Q CB -0.329 28.460 28.738 0.086 0.000 0.898 36 Q HN 0.621 nan 8.270 nan 0.000 0.426 37 L N -0.363 120.854 121.223 -0.011 0.000 2.023 37 L HA -0.084 4.247 4.340 -0.016 0.000 0.205 37 L C 1.899 178.784 176.870 0.025 0.000 1.073 37 L CA 1.741 56.599 54.840 0.030 0.000 0.745 37 L CB -0.493 41.600 42.059 0.057 0.000 0.900 37 L HN 0.220 nan 8.230 nan 0.000 0.435 38 C N -0.296 119.008 119.300 0.006 0.000 2.514 38 C HA 0.138 4.589 4.460 -0.016 0.000 0.271 38 C C 1.201 176.202 174.990 0.017 0.000 1.399 38 C CA 0.021 59.057 59.018 0.030 0.000 1.765 38 C CB -1.219 26.550 27.740 0.048 0.000 1.893 38 C HN 0.711 nan 8.230 nan 0.000 0.531 39 Q N -0.698 119.118 119.800 0.027 0.000 2.463 39 Q HA -0.156 4.174 4.340 -0.016 0.000 0.299 39 Q C -2.325 173.710 176.000 0.060 0.000 1.353 39 Q CA 0.050 55.907 55.803 0.090 0.000 0.828 39 Q CB -1.379 27.398 28.738 0.065 0.000 1.157 39 Q HN 0.507 nan 8.270 nan 0.000 0.436 40 P HA -0.065 nan 4.420 nan 0.000 0.270 40 P C 0.382 177.687 177.300 0.007 0.000 1.223 40 P CA 0.310 63.412 63.100 0.003 0.000 0.785 40 P CB 0.907 32.597 31.700 -0.017 0.000 0.923 41 E N 0.818 120.940 120.200 -0.129 0.000 2.158 41 E HA -0.052 4.288 4.350 -0.016 0.000 0.191 41 E C -0.264 176.073 176.600 -0.439 0.000 0.982 41 E CA 1.410 57.599 56.400 -0.351 0.000 0.823 41 E CB -0.060 29.304 29.700 -0.559 0.000 0.766 41 E HN 0.413 nan 8.360 nan 0.000 0.468 42 Y N -1.234 119.076 120.300 0.016 0.000 2.609 42 Y HA 0.513 5.053 4.550 -0.016 0.000 0.342 42 Y C -0.556 175.325 175.900 -0.031 0.000 1.058 42 Y CA -1.376 56.724 58.100 0.000 0.000 1.055 42 Y CB 1.507 39.942 38.460 -0.041 0.000 1.292 42 Y HN -0.207 nan 8.280 nan 0.000 0.476 43 I N 1.399 122.079 120.570 0.182 0.000 2.466 43 I HA 0.273 4.433 4.170 -0.016 0.000 0.289 43 I C -1.278 174.861 176.117 0.037 0.000 1.026 43 I CA -0.606 60.728 61.300 0.056 0.000 1.078 43 I CB 1.995 40.031 38.000 0.061 0.000 1.249 43 I HN 0.652 nan 8.210 nan 0.000 0.429 44 H N 6.953 125.949 119.070 -0.124 0.000 2.638 44 H HA 0.454 5.001 4.556 -0.016 0.000 0.317 44 H C -0.983 174.355 175.328 0.016 0.000 1.006 44 H CA -0.724 55.278 56.048 -0.076 0.000 1.222 44 H CB 0.915 30.584 29.762 -0.156 0.000 1.419 44 H HN 0.334 nan 8.280 nan 0.000 0.489 45 I N 5.787 126.310 120.570 -0.078 0.000 2.337 45 I HA 0.038 4.198 4.170 -0.016 0.000 0.291 45 I C 0.362 176.500 176.117 0.035 0.000 1.046 45 I CA -0.427 60.880 61.300 0.012 0.000 1.324 45 I CB -0.207 37.771 38.000 -0.037 0.000 1.409 45 I HN 0.687 nan 8.210 nan 0.000 0.494 46 C N 6.105 125.531 119.300 0.210 0.000 2.637 46 C HA 0.082 4.533 4.460 -0.016 0.000 0.418 46 C C 1.675 176.730 174.990 0.108 0.000 1.319 46 C CA -0.472 58.692 59.018 0.244 0.000 1.949 46 C CB 0.187 28.071 27.740 0.239 0.000 2.639 46 C HN 0.825 nan 8.230 nan 0.000 0.594 47 D N -0.022 120.437 120.400 0.098 0.000 2.389 47 D HA 0.157 4.787 4.640 -0.016 0.000 0.206 47 D C 1.476 177.805 176.300 0.047 0.000 1.055 47 D CA 0.736 54.766 54.000 0.050 0.000 0.856 47 D CB -0.258 40.558 40.800 0.026 0.000 0.957 47 D HN 0.944 nan 8.370 nan 0.000 0.509 48 G N 0.544 109.380 108.800 0.061 0.000 2.162 48 G HA2 -0.297 3.653 3.960 -0.016 0.000 0.260 48 G HA3 -0.297 3.653 3.960 -0.016 0.000 0.260 48 G C 0.416 175.322 174.900 0.010 0.000 0.976 48 G CA 0.647 45.759 45.100 0.019 0.000 0.655 48 G HN 0.887 nan 8.290 nan 0.000 0.533 49 S N -0.461 115.265 115.700 0.043 0.000 2.585 49 S HA 0.506 4.966 4.470 -0.016 0.000 0.273 49 S C 1.189 175.833 174.600 0.074 0.000 1.339 49 S CA 0.683 58.912 58.200 0.048 0.000 1.028 49 S CB 1.915 65.147 63.200 0.053 0.000 0.906 49 S HN 0.477 nan 8.310 nan 0.000 0.528 50 E N 1.227 121.474 120.200 0.078 0.000 2.153 50 E HA -0.156 4.185 4.350 -0.016 0.000 0.194 50 E C 1.468 178.160 176.600 0.153 0.000 0.988 50 E CA 1.714 58.194 56.400 0.134 0.000 0.811 50 E CB -0.395 29.373 29.700 0.113 0.000 0.746 50 E HN 0.796 nan 8.360 nan 0.000 0.466 51 E N 0.593 120.857 120.200 0.107 0.000 2.051 51 E HA -0.197 4.143 4.350 -0.016 0.000 0.192 51 E C 1.950 178.612 176.600 0.103 0.000 0.991 51 E CA 1.520 57.974 56.400 0.091 0.000 0.799 51 E CB -0.320 29.421 29.700 0.069 0.000 0.748 51 E HN 0.518 nan 8.360 nan 0.000 0.449 52 E N -0.558 119.715 120.200 0.122 0.000 2.051 52 E HA -0.259 4.081 4.350 -0.016 0.000 0.192 52 E C 1.977 178.662 176.600 0.141 0.000 0.991 52 E CA 0.996 57.483 56.400 0.146 0.000 0.799 52 E CB -0.247 29.561 29.700 0.180 0.000 0.748 52 E HN 0.324 nan 8.360 nan 0.000 0.449 53 Y N 0.890 121.186 120.300 -0.006 0.000 2.114 53 Y HA -0.086 4.454 4.550 -0.016 0.000 0.284 53 Y C 2.212 178.066 175.900 -0.076 0.000 1.143 53 Y CA 1.995 60.061 58.100 -0.056 0.000 1.135 53 Y CB -0.958 37.479 38.460 -0.038 0.000 0.980 53 Y HN 0.126 nan 8.280 nan 0.000 0.499 54 G N 0.161 108.954 108.800 -0.011 0.000 2.476 54 G HA2 -0.298 3.652 3.960 -0.016 0.000 0.218 54 G HA3 -0.298 3.652 3.960 -0.016 0.000 0.218 54 G C 1.863 176.705 174.900 -0.097 0.000 1.164 54 G CA 1.115 46.164 45.100 -0.085 0.000 0.768 54 G HN 0.383 nan 8.290 nan 0.000 0.560 55 R N -0.840 119.644 120.500 -0.027 0.000 2.092 55 R HA 0.051 4.382 4.340 -0.016 0.000 0.231 55 R C 2.476 178.757 176.300 -0.032 0.000 1.119 55 R CA 0.840 56.935 56.100 -0.008 0.000 0.970 55 R CB -0.478 29.839 30.300 0.028 0.000 0.864 55 R HN 0.332 nan 8.270 nan 0.000 0.440 56 L N 1.076 122.254 121.223 -0.075 0.000 2.056 56 L HA -0.105 4.226 4.340 -0.016 0.000 0.207 56 L C 1.999 178.747 176.870 -0.205 0.000 1.078 56 L CA 1.534 56.318 54.840 -0.092 0.000 0.749 56 L CB -0.401 41.573 42.059 -0.142 0.000 0.901 56 L HN 0.114 nan 8.230 nan 0.000 0.433 57 L N -0.960 120.000 121.223 -0.439 0.000 2.046 57 L HA -0.190 4.141 4.340 -0.016 0.000 0.208 57 L C 2.621 179.182 176.870 -0.514 0.000 1.077 57 L CA 1.295 55.672 54.840 -0.770 0.000 0.747 57 L CB -0.943 40.260 42.059 -1.428 0.000 0.896 57 L HN 0.311 nan 8.230 nan 0.000 0.432 58 A N -0.722 121.949 122.820 -0.249 0.000 1.930 58 A HA -0.279 4.032 4.320 -0.016 0.000 0.217 58 A C 2.147 179.756 177.584 0.042 0.000 1.175 58 A CA 1.845 53.868 52.037 -0.024 0.000 0.627 58 A CB -0.780 18.252 19.000 0.053 0.000 0.815 58 A HN 0.538 nan 8.150 nan 0.000 0.443 59 H N -0.108 118.921 119.070 -0.069 0.000 2.353 59 H HA -0.021 4.525 4.556 -0.016 0.000 0.300 59 H C 1.847 177.163 175.328 -0.021 0.000 1.090 59 H CA 2.219 58.250 56.048 -0.028 0.000 1.327 59 H CB -0.357 29.391 29.762 -0.024 0.000 1.383 59 H HN 0.439 nan 8.280 nan 0.000 0.508 60 M N -0.181 119.277 119.600 -0.236 0.000 2.159 60 M HA -0.183 4.287 4.480 -0.016 0.000 0.263 60 M C 2.508 178.747 176.300 -0.100 0.000 1.063 60 M CA 1.861 57.017 55.300 -0.240 0.000 1.110 60 M CB -0.252 32.250 32.600 -0.165 0.000 1.374 60 M HN 0.428 nan 8.290 nan 0.000 0.411 61 Q N 0.806 120.590 119.800 -0.026 0.000 2.050 61 Q HA -0.259 4.071 4.340 -0.016 0.000 0.202 61 Q C 1.914 177.957 176.000 0.071 0.000 0.980 61 Q CA 1.987 57.855 55.803 0.108 0.000 0.840 61 Q CB 0.016 28.900 28.738 0.245 0.000 0.898 61 Q HN 0.415 nan 8.270 nan 0.000 0.424 62 E N 0.614 120.842 120.200 0.047 0.000 2.150 62 E HA -0.165 4.176 4.350 -0.016 0.000 0.193 62 E C 1.190 177.803 176.600 0.021 0.000 0.985 62 E CA 1.341 57.774 56.400 0.055 0.000 0.814 62 E CB 0.035 29.787 29.700 0.087 0.000 0.752 62 E HN 0.400 nan 8.360 nan 0.000 0.466 63 E N -0.679 119.491 120.200 -0.050 0.000 2.511 63 E HA 0.042 4.382 4.350 -0.016 0.000 0.196 63 E C 0.839 177.431 176.600 -0.014 0.000 1.066 63 E CA 0.451 56.816 56.400 -0.059 0.000 0.871 63 E CB 0.040 29.633 29.700 -0.179 0.000 0.863 63 E HN 0.468 nan 8.360 nan 0.000 0.520 64 G N 1.097 109.907 108.800 0.016 0.000 2.155 64 G HA2 -0.306 3.644 3.960 -0.016 0.000 0.257 64 G HA3 -0.306 3.644 3.960 -0.016 0.000 0.257 64 G C 1.038 175.982 174.900 0.073 0.000 0.983 64 G CA 0.501 45.633 45.100 0.054 0.000 0.676 64 G HN 0.272 nan 8.290 nan 0.000 0.528 65 V N 0.527 120.471 119.914 0.051 0.000 2.719 65 V HA 0.240 4.350 4.120 -0.016 0.000 0.252 65 V C 1.507 177.705 176.094 0.173 0.000 1.065 65 V CA 1.978 64.333 62.300 0.092 0.000 1.086 65 V CB -0.405 31.427 31.823 0.016 0.000 0.700 65 V HN 0.811 nan 8.190 nan 0.000 0.467 66 I N -2.655 118.016 120.570 0.167 0.000 2.969 66 I HA 0.645 4.805 4.170 -0.016 0.000 0.307 66 I C -0.754 175.537 176.117 0.289 0.000 1.149 66 I CA -1.184 60.274 61.300 0.263 0.000 1.008 66 I CB 2.448 40.621 38.000 0.289 0.000 1.232 66 I HN -0.203 nan 8.210 nan 0.000 0.435 67 R N 2.244 122.946 120.500 0.336 0.000 2.637 67 R HA 0.461 4.792 4.340 -0.016 0.000 0.291 67 R C -0.872 175.612 176.300 0.307 0.000 0.963 67 R CA -1.005 55.263 56.100 0.279 0.000 0.901 67 R CB 2.557 32.958 30.300 0.168 0.000 1.160 67 R HN 0.574 nan 8.270 nan 0.000 0.457 68 K N 2.453 122.917 120.400 0.105 0.000 2.350 68 K HA 0.166 4.477 4.320 -0.016 0.000 0.279 68 K C -0.609 175.840 176.600 -0.253 0.000 1.027 68 K CA -0.143 55.885 56.287 -0.431 0.000 0.969 68 K CB 0.559 32.684 32.500 -0.626 0.000 0.954 68 K HN 0.430 nan 8.250 nan 0.000 0.474 69 L N 6.516 127.567 121.223 -0.287 0.000 2.288 69 L HA 0.177 4.507 4.340 -0.016 0.000 0.283 69 L C 1.221 177.943 176.870 -0.246 0.000 1.072 69 L CA -0.250 54.495 54.840 -0.158 0.000 0.862 69 L CB 0.672 42.754 42.059 0.038 0.000 1.245 69 L HN 0.731 nan 8.230 nan 0.000 0.432 70 K N 1.646 121.901 120.400 -0.243 0.000 2.442 70 K HA -0.148 4.162 4.320 -0.016 0.000 0.198 70 K C 1.624 178.060 176.600 -0.273 0.000 1.042 70 K CA 0.977 57.127 56.287 -0.228 0.000 0.958 70 K CB 0.120 32.520 32.500 -0.166 0.000 0.766 70 K HN 0.374 nan 8.250 nan 0.000 0.474 71 K N -0.168 119.958 120.400 -0.456 0.000 2.217 71 K HA -0.033 4.278 4.320 -0.016 0.000 0.202 71 K C -0.307 175.976 176.600 -0.528 0.000 1.051 71 K CA 0.698 56.626 56.287 -0.599 0.000 0.952 71 K CB 0.135 32.056 32.500 -0.965 0.000 0.736 71 K HN 0.121 nan 8.250 nan 0.000 0.453 72 Y N -0.184 120.080 120.300 -0.061 0.000 2.654 72 Y HA 0.228 4.769 4.550 -0.016 0.000 0.327 72 Y C -0.268 175.608 175.900 -0.041 0.000 1.122 72 Y CA -2.265 55.818 58.100 -0.028 0.000 1.227 72 Y CB 0.381 38.853 38.460 0.020 0.000 1.370 72 Y HN -0.144 nan 8.280 nan 0.000 0.528 73 D N 1.222 121.735 120.400 0.188 0.000 2.380 73 D HA 0.057 4.688 4.640 -0.016 0.000 0.230 73 D C 0.094 176.456 176.300 0.104 0.000 1.154 73 D CA 0.189 54.251 54.000 0.102 0.000 0.859 73 D CB -0.301 40.560 40.800 0.101 0.000 1.045 73 D HN 0.668 nan 8.370 nan 0.000 0.495 74 N N 3.052 121.775 118.700 0.038 0.000 2.725 74 N HA -0.212 4.519 4.740 -0.016 0.000 0.251 74 N C -1.155 174.419 175.510 0.108 0.000 1.031 74 N CA 0.150 53.257 53.050 0.095 0.000 0.720 74 N CB -1.096 37.539 38.487 0.247 0.000 0.930 74 N HN 0.307 nan 8.380 nan 0.000 0.543 75 C N 0.227 119.460 119.300 -0.113 0.000 2.454 75 C HA 0.757 5.207 4.460 -0.016 0.000 0.336 75 C C -0.149 174.669 174.990 -0.286 0.000 1.189 75 C CA -0.519 58.548 59.018 0.082 0.000 1.877 75 C CB 0.668 28.635 27.740 0.380 0.000 2.348 75 C HN 0.504 nan 8.230 nan 0.000 0.508 76 W N 1.207 122.709 121.300 0.338 0.000 3.083 76 W HA 0.696 5.345 4.660 -0.017 0.000 0.333 76 W C -0.977 175.765 176.519 0.372 0.000 1.217 76 W CA -0.667 56.841 57.345 0.272 0.000 1.170 76 W CB 1.072 30.634 29.460 0.169 0.000 1.437 76 W HN 0.372 nan 8.180 nan 0.000 0.557 77 L N 2.479 124.015 121.223 0.521 0.000 2.406 77 L HA 0.909 5.239 4.340 -0.016 0.000 0.272 77 L C -0.814 176.291 176.870 0.391 0.000 0.980 77 L CA -0.710 54.395 54.840 0.441 0.000 0.831 77 L CB 1.257 43.501 42.059 0.309 0.000 1.253 77 L HN 0.516 nan 8.230 nan 0.000 0.406 78 A N 5.962 129.020 122.820 0.397 0.000 2.317 78 A HA 0.820 5.131 4.320 -0.016 0.000 0.327 78 A C -1.252 176.452 177.584 0.200 0.000 1.178 78 A CA -0.556 51.678 52.037 0.328 0.000 0.817 78 A CB 0.816 20.071 19.000 0.424 0.000 1.189 78 A HN 0.719 nan 8.150 nan 0.000 0.489 79 L N 2.588 123.898 121.223 0.145 0.000 2.333 79 L HA 0.501 4.831 4.340 -0.016 0.000 0.280 79 L C 0.739 177.552 176.870 -0.094 0.000 1.004 79 L CA -0.628 54.260 54.840 0.081 0.000 0.820 79 L CB 2.003 44.133 42.059 0.118 0.000 1.247 79 L HN 0.929 nan 8.230 nan 0.000 0.416 80 T N -2.197 112.144 114.554 -0.355 0.000 2.881 80 T HA 0.204 4.545 4.350 -0.016 0.000 0.278 80 T C -0.095 174.396 174.700 -0.349 0.000 0.982 80 T CA -0.836 60.709 62.100 -0.924 0.000 0.989 80 T CB 1.785 69.755 68.868 -1.496 0.000 1.058 80 T HN 0.499 nan 8.240 nan 0.000 0.529 81 D N 1.530 121.757 120.400 -0.290 0.000 2.424 81 D HA 0.104 4.735 4.640 -0.016 0.000 0.244 81 D C -1.257 175.027 176.300 -0.028 0.000 1.134 81 D CA -1.936 52.067 54.000 0.005 0.000 0.881 81 D CB 1.365 42.290 40.800 0.208 0.000 1.191 81 D HN 0.292 nan 8.370 nan 0.000 0.445 82 P HA -0.044 nan 4.420 nan 0.000 0.234 82 P C 0.757 178.096 177.300 0.066 0.000 1.167 82 P CA 0.599 63.785 63.100 0.144 0.000 0.763 82 P CB 0.248 32.029 31.700 0.136 0.000 0.835 83 R N -0.467 120.058 120.500 0.041 0.000 2.299 83 R HA 0.057 4.387 4.340 -0.016 0.000 0.197 83 R C 0.251 176.557 176.300 0.010 0.000 0.971 83 R CA 0.378 56.499 56.100 0.034 0.000 1.030 83 R CB -0.058 30.277 30.300 0.057 0.000 0.932 83 R HN 0.060 nan 8.270 nan 0.000 0.477 84 D N 0.138 120.523 120.400 -0.025 0.000 2.400 84 D HA 0.077 4.707 4.640 -0.016 0.000 0.272 84 D C 0.199 176.333 176.300 -0.276 0.000 1.220 84 D CA -0.334 53.660 54.000 -0.010 0.000 0.897 84 D CB 1.292 42.258 40.800 0.276 0.000 1.134 84 D HN -0.047 nan 8.370 nan 0.000 0.507 85 V N 0.418 120.007 119.914 -0.543 0.000 3.382 85 V HA 0.873 4.983 4.120 -0.016 0.000 0.296 85 V C 0.401 175.623 176.094 -1.455 0.000 1.529 85 V CA 0.397 62.026 62.300 -1.117 0.000 1.048 85 V CB -0.133 31.052 31.823 -1.063 0.000 0.878 85 V HN 0.450 nan 8.190 nan 0.000 0.442 86 A N 0.070 122.351 122.820 -0.897 0.000 2.540 86 A HA 0.721 5.032 4.320 -0.016 0.000 0.291 86 A C -0.581 176.963 177.584 -0.067 0.000 1.083 86 A CA -1.049 50.728 52.037 -0.433 0.000 0.650 86 A CB 0.833 19.698 19.000 -0.225 0.000 1.292 86 A HN 0.240 nan 8.150 nan 0.000 0.435 87 R N -0.406 120.148 120.500 0.089 0.000 2.698 87 R HA 0.323 4.654 4.340 -0.016 0.000 0.266 87 R C -0.842 175.477 176.300 0.031 0.000 1.026 87 R CA 0.600 56.769 56.100 0.114 0.000 1.102 87 R CB 0.098 30.486 30.300 0.148 0.000 0.978 87 R HN 0.503 nan 8.270 nan 0.000 0.436 88 I N 2.508 123.109 120.570 0.051 0.000 2.437 88 I HA 0.083 4.244 4.170 -0.016 0.000 0.279 88 I C 0.785 176.916 176.117 0.023 0.000 1.028 88 I CA -0.215 61.090 61.300 0.007 0.000 1.142 88 I CB 1.662 39.678 38.000 0.027 0.000 1.266 88 I HN 0.671 nan 8.210 nan 0.000 0.461 89 E N 2.401 122.585 120.200 -0.027 0.000 2.110 89 E HA -0.178 4.163 4.350 -0.016 0.000 0.193 89 E C 1.993 178.616 176.600 0.038 0.000 0.988 89 E CA 1.619 58.020 56.400 0.002 0.000 0.804 89 E CB 0.125 29.825 29.700 0.001 0.000 0.745 89 E HN 0.763 nan 8.360 nan 0.000 0.458 90 S N 0.747 116.462 115.700 0.025 0.000 2.474 90 S HA -0.069 4.391 4.470 -0.016 0.000 0.235 90 S C 1.495 176.139 174.600 0.074 0.000 0.997 90 S CA 0.777 59.009 58.200 0.053 0.000 0.949 90 S CB -0.015 63.209 63.200 0.040 0.000 0.766 90 S HN 0.081 nan 8.310 nan 0.000 0.517 91 K N 1.226 121.676 120.400 0.083 0.000 2.498 91 K HA 0.225 4.535 4.320 -0.016 0.000 0.207 91 K C -0.677 176.015 176.600 0.153 0.000 1.033 91 K CA -0.035 56.321 56.287 0.115 0.000 1.138 91 K CB 0.795 33.363 32.500 0.114 0.000 0.860 91 K HN 0.223 nan 8.250 nan 0.000 0.490 92 T N 1.488 116.131 114.554 0.150 0.000 2.779 92 T HA 0.403 4.743 4.350 -0.016 0.000 0.280 92 T C -0.551 174.262 174.700 0.188 0.000 0.987 92 T CA -0.709 61.514 62.100 0.204 0.000 0.966 92 T CB 1.604 70.588 68.868 0.193 0.000 0.933 92 T HN 0.022 nan 8.240 nan 0.000 0.442 93 V N 1.163 121.221 119.914 0.240 0.000 3.049 93 V HA 0.771 4.882 4.120 -0.016 0.000 0.309 93 V C -1.145 175.082 176.094 0.222 0.000 1.148 93 V CA -1.215 61.194 62.300 0.181 0.000 0.990 93 V CB 1.859 33.752 31.823 0.118 0.000 1.039 93 V HN 0.839 nan 8.190 nan 0.000 0.430 94 I N 2.974 123.629 120.570 0.143 0.000 2.474 94 I HA 0.547 4.707 4.170 -0.016 0.000 0.294 94 I C -1.133 175.014 176.117 0.049 0.000 1.005 94 I CA -0.696 60.681 61.300 0.129 0.000 1.113 94 I CB 2.102 40.186 38.000 0.140 0.000 1.289 94 I HN 0.493 nan 8.210 nan 0.000 0.436 95 I N 5.141 125.695 120.570 -0.026 0.000 2.339 95 I HA 0.413 4.573 4.170 -0.016 0.000 0.290 95 I C 0.284 176.450 176.117 0.081 0.000 0.994 95 I CA 0.164 61.406 61.300 -0.097 0.000 1.191 95 I CB 1.593 39.460 38.000 -0.223 0.000 1.343 95 I HN 0.637 nan 8.210 nan 0.000 0.458 96 T N 1.004 115.728 114.554 0.284 0.000 2.841 96 T HA 0.343 4.683 4.350 -0.016 0.000 0.296 96 T C 0.370 175.326 174.700 0.425 0.000 1.166 96 T CA -0.699 61.591 62.100 0.317 0.000 1.007 96 T CB 1.588 70.638 68.868 0.304 0.000 1.253 96 T HN 0.404 nan 8.240 nan 0.000 0.511 97 Q N 0.289 120.235 119.800 0.245 0.000 2.119 97 Q HA 0.021 4.351 4.340 -0.016 0.000 0.201 97 Q C 0.154 176.301 176.000 0.244 0.000 0.972 97 Q CA 1.549 57.486 55.803 0.224 0.000 0.847 97 Q CB 0.149 28.956 28.738 0.115 0.000 0.903 97 Q HN 0.657 nan 8.270 nan 0.000 0.433 98 E N 0.043 120.311 120.200 0.114 0.000 2.187 98 E HA 0.042 4.382 4.350 -0.016 0.000 0.268 98 E C -0.391 175.947 176.600 -0.436 0.000 0.896 98 E CA -0.315 56.016 56.400 -0.116 0.000 0.766 98 E CB 1.556 31.195 29.700 -0.101 0.000 1.142 98 E HN 0.364 nan 8.360 nan 0.000 0.408 99 Q N 3.065 122.219 119.800 -1.077 0.000 2.135 99 Q HA -0.201 4.130 4.340 -0.016 0.000 0.204 99 Q C 1.772 177.382 176.000 -0.650 0.000 0.981 99 Q CA 1.565 56.386 55.803 -1.637 0.000 0.856 99 Q CB 0.140 27.940 28.738 -1.563 0.000 0.902 99 Q HN 0.379 nan 8.270 nan 0.000 0.425 100 R N -0.037 120.225 120.500 -0.396 0.000 2.237 100 R HA -0.123 4.208 4.340 -0.016 0.000 0.219 100 R C 0.971 177.201 176.300 -0.118 0.000 1.080 100 R CA 1.374 57.350 56.100 -0.207 0.000 0.995 100 R CB 0.134 30.341 30.300 -0.155 0.000 0.875 100 R HN 0.342 nan 8.270 nan 0.000 0.462 101 D N -1.029 119.309 120.400 -0.103 0.000 2.269 101 D HA -0.069 4.561 4.640 -0.016 0.000 0.208 101 D C 1.182 177.520 176.300 0.064 0.000 0.963 101 D CA 1.181 55.181 54.000 0.000 0.000 0.864 101 D CB 0.261 41.072 40.800 0.019 0.000 0.936 101 D HN 0.198 nan 8.370 nan 0.000 0.505 102 T N -0.399 114.174 114.554 0.032 0.000 3.021 102 T HA 0.108 4.448 4.350 -0.016 0.000 0.245 102 T C 0.842 175.574 174.700 0.054 0.000 1.028 102 T CA 0.276 62.444 62.100 0.113 0.000 1.139 102 T CB 0.764 69.781 68.868 0.249 0.000 0.884 102 T HN 0.021 nan 8.240 nan 0.000 0.457 103 V N -0.921 118.983 119.914 -0.016 0.000 3.007 103 V HA 0.662 4.772 4.120 -0.016 0.000 0.311 103 V C -3.303 172.743 176.094 -0.080 0.000 1.120 103 V CA -3.307 58.969 62.300 -0.039 0.000 0.980 103 V CB 1.915 33.734 31.823 -0.005 0.000 1.033 103 V HN -0.151 nan 8.190 nan 0.000 0.429 104 P HA 0.240 nan 4.420 nan 0.000 0.269 104 P C -0.498 176.745 177.300 -0.094 0.000 1.215 104 P CA -0.091 62.955 63.100 -0.091 0.000 0.780 104 P CB 0.263 31.908 31.700 -0.092 0.000 0.898 105 I N 4.023 124.534 120.570 -0.098 0.000 2.379 105 I HA 0.153 4.314 4.170 -0.016 0.000 0.290 105 I C -1.942 174.128 176.117 -0.079 0.000 1.063 105 I CA -2.823 58.421 61.300 -0.093 0.000 1.351 105 I CB 0.057 37.999 38.000 -0.097 0.000 1.410 105 I HN 0.161 nan 8.210 nan 0.000 0.505 106 P HA 0.222 nan 4.420 nan 0.000 0.280 106 P C 0.329 177.594 177.300 -0.058 0.000 1.244 106 P CA -0.517 62.540 63.100 -0.073 0.000 0.784 106 P CB 1.282 32.945 31.700 -0.061 0.000 0.913 107 K N 1.355 121.718 120.400 -0.063 0.000 2.103 107 K HA -0.114 4.196 4.320 -0.016 0.000 0.207 107 K C 1.992 178.572 176.600 -0.033 0.000 1.048 107 K CA 2.170 58.430 56.287 -0.046 0.000 0.930 107 K CB -0.375 32.097 32.500 -0.046 0.000 0.716 107 K HN 0.556 nan 8.250 nan 0.000 0.444 108 S N -0.743 114.937 115.700 -0.033 0.000 2.481 108 S HA 0.013 4.473 4.470 -0.016 0.000 0.231 108 S C 1.560 176.155 174.600 -0.009 0.000 0.996 108 S CA 0.837 59.026 58.200 -0.018 0.000 0.942 108 S CB 0.098 63.288 63.200 -0.016 0.000 0.768 108 S HN 0.486 nan 8.310 nan 0.000 0.520 109 G N 0.040 108.833 108.800 -0.012 0.000 2.194 109 G HA2 -0.203 3.747 3.960 -0.016 0.000 0.236 109 G HA3 -0.203 3.747 3.960 -0.016 0.000 0.236 109 G C -0.178 174.729 174.900 0.012 0.000 0.987 109 G CA 0.079 45.179 45.100 -0.000 0.000 0.635 109 G HN 0.606 nan 8.290 nan 0.000 0.520 110 Q N 0.503 120.309 119.800 0.010 0.000 2.310 110 Q HA 0.590 4.920 4.340 -0.016 0.000 0.270 110 Q C -0.594 175.415 176.000 0.014 0.000 1.025 110 Q CA -0.292 55.526 55.803 0.024 0.000 0.772 110 Q CB 2.099 30.856 28.738 0.032 0.000 1.253 110 Q HN 0.203 nan 8.270 nan 0.000 0.450 111 S N 1.726 117.440 115.700 0.023 0.000 2.562 111 S HA 0.149 4.609 4.470 -0.016 0.000 0.275 111 S C 0.223 174.838 174.600 0.025 0.000 1.281 111 S CA -0.159 58.046 58.200 0.008 0.000 1.045 111 S CB 0.671 63.879 63.200 0.013 0.000 0.962 111 S HN 0.621 nan 8.310 nan 0.000 0.503 112 Q N 3.486 123.294 119.800 0.014 0.000 2.175 112 Q HA 0.344 4.675 4.340 -0.016 0.000 0.225 112 Q C 0.013 176.031 176.000 0.029 0.000 0.837 112 Q CA 0.041 55.866 55.803 0.037 0.000 1.032 112 Q CB 0.305 29.089 28.738 0.076 0.000 1.137 112 Q HN 0.625 nan 8.270 nan 0.000 0.483 113 L N -0.575 120.655 121.223 0.012 0.000 3.122 113 L HA 0.459 4.789 4.340 -0.016 0.000 0.274 113 L C 0.532 177.448 176.870 0.076 0.000 1.222 113 L CA -0.386 54.465 54.840 0.018 0.000 1.028 113 L CB 1.099 43.104 42.059 -0.090 0.000 1.386 113 L HN 0.237 nan 8.230 nan 0.000 0.578 114 G N 0.605 109.444 108.800 0.064 0.000 2.362 114 G HA2 0.179 4.129 3.960 -0.016 0.000 0.288 114 G HA3 0.179 4.129 3.960 -0.016 0.000 0.288 114 G C -1.836 173.124 174.900 0.099 0.000 1.305 114 G CA -0.956 44.191 45.100 0.079 0.000 0.910 114 G HN 0.041 nan 8.290 nan 0.000 0.518 115 R N -1.085 119.493 120.500 0.129 0.000 2.538 115 R HA 0.607 4.938 4.340 -0.016 0.000 0.292 115 R C -1.621 174.817 176.300 0.230 0.000 1.008 115 R CA -0.755 55.444 56.100 0.164 0.000 0.896 115 R CB 1.465 31.842 30.300 0.129 0.000 1.187 115 R HN 0.942 nan 8.270 nan 0.000 0.440 116 W N 6.440 127.773 121.300 0.056 0.000 2.570 116 W HA 0.615 5.265 4.660 -0.017 0.000 0.337 116 W C -1.440 175.122 176.519 0.072 0.000 1.067 116 W CA -1.071 56.309 57.345 0.058 0.000 1.229 116 W CB 1.613 31.100 29.460 0.044 0.000 1.355 116 W HN 0.508 nan 8.180 nan 0.000 0.555 117 M N 5.231 124.358 119.600 -0.788 0.000 2.386 117 M HA 0.277 4.747 4.480 -0.016 0.000 0.293 117 M C -0.127 175.355 176.300 -1.363 0.000 1.120 117 M CA -0.607 54.165 55.300 -0.881 0.000 0.909 117 M CB 1.876 34.299 32.600 -0.296 0.000 1.661 117 M HN 0.580 nan 8.290 nan 0.000 0.452 118 S N 1.826 116.768 115.700 -1.262 0.000 2.584 118 S HA 0.100 4.560 4.470 -0.016 0.000 0.270 118 S C 0.753 175.204 174.600 -0.248 0.000 1.346 118 S CA -0.184 57.599 58.200 -0.695 0.000 1.018 118 S CB 1.186 64.200 63.200 -0.311 0.000 0.899 118 S HN 0.932 nan 8.310 nan 0.000 0.542 119 E N 1.046 121.197 120.200 -0.083 0.000 2.110 119 E HA -0.209 4.131 4.350 -0.016 0.000 0.193 119 E C 1.565 178.197 176.600 0.053 0.000 0.988 119 E CA 1.498 57.910 56.400 0.020 0.000 0.804 119 E CB -0.159 29.561 29.700 0.032 0.000 0.745 119 E HN 0.865 nan 8.360 nan 0.000 0.458 120 E N 0.662 120.872 120.200 0.017 0.000 2.058 120 E HA -0.196 4.145 4.350 -0.016 0.000 0.194 120 E C 1.830 178.431 176.600 0.002 0.000 0.997 120 E CA 1.630 58.038 56.400 0.014 0.000 0.801 120 E CB -0.024 29.685 29.700 0.014 0.000 0.746 120 E HN 0.252 nan 8.360 nan 0.000 0.450 121 D N -0.242 120.146 120.400 -0.020 0.000 2.117 121 D HA -0.130 4.500 4.640 -0.016 0.000 0.198 121 D C 1.589 177.893 176.300 0.007 0.000 0.982 121 D CA 0.595 54.581 54.000 -0.023 0.000 0.828 121 D CB -0.296 40.467 40.800 -0.060 0.000 0.967 121 D HN 0.080 nan 8.370 nan 0.000 0.464 122 F N 1.888 121.787 119.950 -0.085 0.000 2.126 122 F HA -0.162 4.355 4.527 -0.017 0.000 0.299 122 F C 2.217 178.034 175.800 0.027 0.000 1.096 122 F CA 1.571 59.550 58.000 -0.034 0.000 1.255 122 F CB -0.125 38.837 39.000 -0.064 0.000 0.997 122 F HN -0.069 nan 8.300 nan 0.000 0.479 123 E N 0.366 120.503 120.200 -0.105 0.000 2.085 123 E HA -0.277 4.064 4.350 -0.016 0.000 0.194 123 E C 2.128 178.657 176.600 -0.119 0.000 0.994 123 E CA 1.732 58.052 56.400 -0.133 0.000 0.801 123 E CB -0.123 29.561 29.700 -0.025 0.000 0.743 123 E HN 0.477 nan 8.360 nan 0.000 0.453 124 K N 0.072 120.414 120.400 -0.097 0.000 2.057 124 K HA -0.102 4.208 4.320 -0.016 0.000 0.207 124 K C 2.215 178.738 176.600 -0.129 0.000 1.049 124 K CA 1.096 57.335 56.287 -0.081 0.000 0.931 124 K CB -0.158 32.309 32.500 -0.054 0.000 0.714 124 K HN 0.147 nan 8.250 nan 0.000 0.440 125 A N 1.101 123.812 122.820 -0.183 0.000 1.902 125 A HA -0.175 4.136 4.320 -0.016 0.000 0.217 125 A C 2.015 179.438 177.584 -0.268 0.000 1.181 125 A CA 1.179 53.095 52.037 -0.202 0.000 0.623 125 A CB -0.690 18.215 19.000 -0.159 0.000 0.818 125 A HN 0.361 nan 8.150 nan 0.000 0.443 126 F N 1.371 120.975 119.950 -0.576 0.000 2.134 126 F HA -0.171 4.346 4.527 -0.016 0.000 0.299 126 F C 1.869 177.562 175.800 -0.178 0.000 1.097 126 F CA 1.979 59.725 58.000 -0.423 0.000 1.264 126 F CB -0.149 38.415 39.000 -0.728 0.000 1.001 126 F HN 0.200 nan 8.300 nan 0.000 0.479 127 N N 0.524 119.169 118.700 -0.091 0.000 2.396 127 N HA -0.027 4.703 4.740 -0.016 0.000 0.180 127 N C 1.651 177.049 175.510 -0.186 0.000 1.028 127 N CA 1.062 54.048 53.050 -0.107 0.000 0.893 127 N CB -0.472 38.005 38.487 -0.017 0.000 0.967 127 N HN 0.392 nan 8.380 nan 0.000 0.440 128 A N -0.026 122.662 122.820 -0.220 0.000 2.238 128 A HA 0.147 4.457 4.320 -0.016 0.000 0.208 128 A C 1.999 179.361 177.584 -0.370 0.000 1.177 128 A CA 0.442 52.339 52.037 -0.233 0.000 0.804 128 A CB 0.154 19.043 19.000 -0.186 0.000 0.823 128 A HN 0.144 nan 8.150 nan 0.000 0.482 129 R N -2.779 117.381 120.500 -0.565 0.000 2.342 129 R HA 0.312 4.642 4.340 -0.016 0.000 0.179 129 R C 1.312 177.076 176.300 -0.893 0.000 0.989 129 R CA 0.463 55.909 56.100 -1.089 0.000 1.125 129 R CB -0.176 29.013 30.300 -1.852 0.000 1.211 129 R HN 0.391 nan 8.270 nan 0.000 0.568 130 F N 1.772 121.306 119.950 -0.693 0.000 2.234 130 F HA 0.116 4.633 4.527 -0.016 0.000 0.296 130 F C -1.338 174.295 175.800 -0.279 0.000 1.089 130 F CA -0.220 57.508 58.000 -0.454 0.000 1.343 130 F CB -0.851 37.683 39.000 -0.777 0.000 1.040 130 F HN -0.195 nan 8.300 nan 0.000 0.498 131 P HA 0.072 nan 4.420 nan 0.000 0.258 131 P C 0.638 177.915 177.300 -0.038 0.000 1.187 131 P CA 1.609 64.673 63.100 -0.060 0.000 0.767 131 P CB 0.082 31.741 31.700 -0.068 0.000 0.770 132 G N 2.952 111.748 108.800 -0.006 0.000 2.162 132 G HA2 -0.383 3.567 3.960 -0.016 0.000 0.260 132 G HA3 -0.383 3.567 3.960 -0.016 0.000 0.260 132 G C 1.118 176.013 174.900 -0.009 0.000 0.976 132 G CA 0.261 45.358 45.100 -0.005 0.000 0.655 132 G HN 0.680 nan 8.290 nan 0.000 0.533 133 C N -1.123 118.178 119.300 0.001 0.000 2.448 133 C HA 0.498 4.948 4.460 -0.016 0.000 0.280 133 C C 2.360 177.330 174.990 -0.034 0.000 1.398 133 C CA 1.273 60.288 59.018 -0.006 0.000 1.774 133 C CB -0.709 27.052 27.740 0.036 0.000 1.888 133 C HN 0.478 nan 8.230 nan 0.000 0.519 134 M N 0.357 119.948 119.600 -0.016 0.000 2.453 134 M HA 0.203 4.673 4.480 -0.016 0.000 0.239 134 M C 0.412 176.694 176.300 -0.031 0.000 1.151 134 M CA -0.160 55.123 55.300 -0.028 0.000 0.989 134 M CB -0.176 32.415 32.600 -0.015 0.000 1.548 134 M HN 0.045 nan 8.290 nan 0.000 0.479 135 K N 1.413 121.796 120.400 -0.029 0.000 2.511 135 K HA 0.121 4.431 4.320 -0.016 0.000 0.280 135 K C 1.121 177.692 176.600 -0.049 0.000 1.008 135 K CA 1.470 57.737 56.287 -0.034 0.000 1.050 135 K CB -0.065 32.418 32.500 -0.029 0.000 0.889 135 K HN 0.460 nan 8.250 nan 0.000 0.484 136 G N 3.215 111.972 108.800 -0.072 0.000 2.179 136 G HA2 -0.300 3.651 3.960 -0.016 0.000 0.260 136 G HA3 -0.300 3.651 3.960 -0.016 0.000 0.260 136 G C 0.008 174.868 174.900 -0.066 0.000 0.977 136 G CA 0.501 45.553 45.100 -0.080 0.000 0.641 136 G HN 0.592 nan 8.290 nan 0.000 0.533 137 R N -0.455 120.011 120.500 -0.057 0.000 2.902 137 R HA 0.642 4.973 4.340 -0.016 0.000 0.258 137 R C -0.569 175.715 176.300 -0.027 0.000 1.071 137 R CA -0.522 55.568 56.100 -0.016 0.000 1.024 137 R CB 1.011 31.307 30.300 -0.007 0.000 1.184 137 R HN 0.104 nan 8.270 nan 0.000 0.492 138 T N 2.100 116.644 114.554 -0.017 0.000 2.806 138 T HA 0.226 4.566 4.350 -0.016 0.000 0.290 138 T C -0.006 174.558 174.700 -0.227 0.000 0.966 138 T CA -0.303 61.709 62.100 -0.146 0.000 1.060 138 T CB 0.683 69.315 68.868 -0.393 0.000 0.927 138 T HN 0.343 nan 8.240 nan 0.000 0.485 139 M N 4.897 124.396 119.600 -0.167 0.000 2.084 139 M HA 0.368 4.839 4.480 -0.016 0.000 0.351 139 M C -1.498 174.703 176.300 -0.165 0.000 1.240 139 M CA -0.547 54.694 55.300 -0.099 0.000 1.083 139 M CB 0.164 32.723 32.600 -0.069 0.000 1.593 139 M HN 0.562 nan 8.290 nan 0.000 0.463 140 Y N 3.685 124.032 120.300 0.079 0.000 2.299 140 Y HA 0.437 4.978 4.550 -0.016 0.000 0.326 140 Y C -0.093 175.867 175.900 0.099 0.000 1.164 140 Y CA -0.562 57.600 58.100 0.103 0.000 1.234 140 Y CB 1.205 39.695 38.460 0.050 0.000 1.219 140 Y HN 0.370 nan 8.280 nan 0.000 0.497 141 V N 5.682 125.744 119.914 0.247 0.000 2.334 141 V HA 0.317 4.428 4.120 -0.016 0.000 0.281 141 V C -0.250 175.961 176.094 0.195 0.000 1.016 141 V CA -0.773 61.629 62.300 0.170 0.000 0.832 141 V CB 0.823 32.700 31.823 0.089 0.000 0.999 141 V HN 0.575 nan 8.190 nan 0.000 0.439 142 I N 7.689 128.387 120.570 0.212 0.000 2.337 142 I HA 0.345 4.505 4.170 -0.016 0.000 0.285 142 I C -2.498 173.774 176.117 0.257 0.000 1.041 142 I CA -1.895 59.536 61.300 0.219 0.000 1.199 142 I CB 1.811 39.932 38.000 0.201 0.000 1.370 142 I HN 0.412 nan 8.210 nan 0.000 0.470 143 P HA 0.252 nan 4.420 nan 0.000 0.287 143 P C -1.013 176.365 177.300 0.129 0.000 1.307 143 P CA -0.152 62.981 63.100 0.056 0.000 0.777 143 P CB 0.216 31.909 31.700 -0.013 0.000 0.883 144 F N 0.113 120.071 119.950 0.014 0.000 2.576 144 F HA 0.782 5.300 4.527 -0.015 0.000 0.313 144 F C -0.514 175.320 175.800 0.057 0.000 1.078 144 F CA -1.378 56.638 58.000 0.027 0.000 0.921 144 F CB 1.532 40.552 39.000 0.034 0.000 1.232 144 F HN 0.135 nan 8.300 nan 0.000 0.459 145 S N 3.835 119.638 115.700 0.172 0.000 2.454 145 S HA 0.642 5.102 4.470 -0.016 0.000 0.306 145 S C -0.664 174.073 174.600 0.228 0.000 1.100 145 S CA -0.785 57.489 58.200 0.123 0.000 1.087 145 S CB 0.641 63.873 63.200 0.053 0.000 1.019 145 S HN 0.616 nan 8.310 nan 0.000 0.480 146 M N 4.251 124.015 119.600 0.273 0.000 2.094 146 M HA 0.474 4.945 4.480 -0.016 0.000 0.348 146 M C 0.717 176.999 176.300 -0.030 0.000 1.267 146 M CA 0.120 55.513 55.300 0.155 0.000 1.125 146 M CB -0.365 32.412 32.600 0.296 0.000 1.527 146 M HN 1.040 nan 8.290 nan 0.000 0.447 147 G N 5.686 114.410 108.800 -0.126 0.000 2.663 147 G HA2 -0.041 3.909 3.960 -0.016 0.000 0.686 147 G HA3 -0.041 3.909 3.960 -0.016 0.000 0.686 147 G C -3.270 171.571 174.900 -0.099 0.000 1.246 147 G CA -1.431 43.593 45.100 -0.127 0.000 0.795 147 G HN 0.391 nan 8.290 nan 0.000 0.627 148 P HA 0.254 nan 4.420 nan 0.000 0.266 148 P C 0.572 177.814 177.300 -0.095 0.000 1.193 148 P CA -0.384 62.614 63.100 -0.169 0.000 0.770 148 P CB 0.508 32.076 31.700 -0.220 0.000 0.836 149 L N 2.922 124.096 121.223 -0.082 0.000 2.698 149 L HA 0.246 4.576 4.340 -0.016 0.000 0.272 149 L C 1.273 178.112 176.870 -0.052 0.000 1.154 149 L CA 1.849 56.659 54.840 -0.049 0.000 0.964 149 L CB -1.347 40.687 42.059 -0.043 0.000 1.272 149 L HN 0.775 nan 8.230 nan 0.000 0.483 150 G N 2.064 110.840 108.800 -0.039 0.000 2.175 150 G HA2 -0.230 3.721 3.960 -0.016 0.000 0.182 150 G HA3 -0.230 3.721 3.960 -0.016 0.000 0.182 150 G C 0.350 175.227 174.900 -0.037 0.000 1.003 150 G CA 0.079 45.160 45.100 -0.032 0.000 0.666 150 G HN 0.962 nan 8.290 nan 0.000 0.506 151 S N 1.332 117.004 115.700 -0.047 0.000 2.560 151 S HA 0.428 4.889 4.470 -0.016 0.000 0.284 151 S C 0.113 174.691 174.600 -0.037 0.000 1.327 151 S CA 0.020 58.189 58.200 -0.052 0.000 1.055 151 S CB 1.139 64.298 63.200 -0.067 0.000 0.868 151 S HN 0.192 nan 8.310 nan 0.000 0.506 152 P HA 0.004 nan 4.420 nan 0.000 0.230 152 P C 0.677 177.948 177.300 -0.049 0.000 1.158 152 P CA 0.556 63.632 63.100 -0.042 0.000 0.769 152 P CB -0.093 31.578 31.700 -0.048 0.000 0.807 153 L N -3.228 117.967 121.223 -0.047 0.000 2.808 153 L HA 0.499 4.829 4.340 -0.016 0.000 0.246 153 L C 0.935 177.836 176.870 0.052 0.000 1.153 153 L CA -0.988 53.817 54.840 -0.058 0.000 0.956 153 L CB -1.804 40.200 42.059 -0.091 0.000 1.270 153 L HN -0.237 nan 8.230 nan 0.000 0.528 154 A N 1.233 124.089 122.820 0.059 0.000 2.425 154 A HA 0.466 4.777 4.320 -0.016 0.000 0.242 154 A C 0.294 177.998 177.584 0.199 0.000 1.077 154 A CA 0.052 52.167 52.037 0.129 0.000 0.781 154 A CB 0.391 19.423 19.000 0.054 0.000 1.020 154 A HN 0.367 nan 8.150 nan 0.000 0.494 155 K N 1.292 121.900 120.400 0.347 0.000 2.397 155 K HA 0.553 4.863 4.320 -0.016 0.000 0.253 155 K C -1.332 175.477 176.600 0.350 0.000 0.932 155 K CA -0.185 56.338 56.287 0.393 0.000 0.795 155 K CB 2.051 34.898 32.500 0.578 0.000 1.159 155 K HN 0.632 nan 8.250 nan 0.000 0.424 156 I N 1.534 122.189 120.570 0.142 0.000 2.437 156 I HA 0.404 4.564 4.170 -0.016 0.000 0.298 156 I C 0.553 176.465 176.117 -0.342 0.000 0.984 156 I CA -0.385 60.858 61.300 -0.096 0.000 1.214 156 I CB 1.835 39.792 38.000 -0.070 0.000 1.365 156 I HN 0.690 nan 8.210 nan 0.000 0.469 157 G N 6.030 114.256 108.800 -0.957 0.000 2.630 157 G HA2 0.717 4.667 3.960 -0.016 0.000 0.296 157 G HA3 0.717 4.667 3.960 -0.016 0.000 0.296 157 G C -1.151 173.262 174.900 -0.811 0.000 1.285 157 G CA -0.437 44.032 45.100 -1.050 0.000 0.958 157 G HN 0.303 nan 8.290 nan 0.000 0.479 158 I N 0.753 121.218 120.570 -0.175 0.000 2.418 158 I HA 0.363 4.523 4.170 -0.016 0.000 0.287 158 I C -0.368 176.022 176.117 0.456 0.000 1.008 158 I CA -0.694 60.672 61.300 0.111 0.000 1.104 158 I CB 1.559 39.604 38.000 0.074 0.000 1.264 158 I HN 0.645 nan 8.210 nan 0.000 0.438 159 E N 7.153 127.676 120.200 0.539 0.000 2.151 159 E HA 0.564 4.905 4.350 -0.016 0.000 0.275 159 E C -1.450 175.343 176.600 0.321 0.000 0.936 159 E CA -0.601 56.063 56.400 0.440 0.000 0.777 159 E CB 1.431 31.302 29.700 0.286 0.000 1.108 159 E HN 0.496 nan 8.360 nan 0.000 0.401 160 L N 3.698 125.093 121.223 0.287 0.000 2.295 160 L HA 0.517 4.847 4.340 -0.016 0.000 0.285 160 L C 0.200 177.204 176.870 0.224 0.000 1.035 160 L CA -0.540 54.398 54.840 0.163 0.000 0.806 160 L CB 1.751 43.793 42.059 -0.028 0.000 1.214 160 L HN 0.531 nan 8.230 nan 0.000 0.426 161 T N -0.672 114.026 114.554 0.240 0.000 2.894 161 T HA 0.279 4.620 4.350 -0.016 0.000 0.309 161 T C -0.567 174.301 174.700 0.281 0.000 1.208 161 T CA -0.610 61.670 62.100 0.301 0.000 1.016 161 T CB 1.578 70.651 68.868 0.342 0.000 1.192 161 T HN 0.733 nan 8.240 nan 0.000 0.491 162 D N 1.032 121.552 120.400 0.201 0.000 2.368 162 D HA 0.229 4.859 4.640 -0.016 0.000 0.218 162 D C 0.321 176.740 176.300 0.197 0.000 1.112 162 D CA -0.196 53.912 54.000 0.180 0.000 0.834 162 D CB 0.253 41.071 40.800 0.029 0.000 0.953 162 D HN 0.243 nan 8.370 nan 0.000 0.505 163 S N 1.072 116.884 115.700 0.186 0.000 2.474 163 S HA 0.380 4.841 4.470 -0.016 0.000 0.321 163 S C -1.860 172.685 174.600 -0.092 0.000 1.080 163 S CA -1.521 56.709 58.200 0.050 0.000 1.106 163 S CB 1.620 64.859 63.200 0.064 0.000 0.984 163 S HN -0.204 nan 8.310 nan 0.000 0.464 164 P HA -0.082 nan 4.420 nan 0.000 0.221 164 P C 1.054 178.228 177.300 -0.210 0.000 1.150 164 P CA 0.746 63.592 63.100 -0.423 0.000 0.800 164 P CB -0.129 31.407 31.700 -0.274 0.000 0.787 165 Y N 0.953 121.131 120.300 -0.204 0.000 2.224 165 Y HA -0.168 4.373 4.550 -0.016 0.000 0.289 165 Y C 2.078 177.899 175.900 -0.132 0.000 1.146 165 Y CA 1.257 59.282 58.100 -0.125 0.000 1.182 165 Y CB -0.893 37.525 38.460 -0.071 0.000 0.983 165 Y HN -0.302 nan 8.280 nan 0.000 0.524 166 V N -0.824 119.074 119.914 -0.027 0.000 2.427 166 V HA -0.281 3.830 4.120 -0.016 0.000 0.248 166 V C 2.313 178.272 176.094 -0.225 0.000 1.051 166 V CA 1.605 63.814 62.300 -0.153 0.000 1.048 166 V CB -0.646 31.106 31.823 -0.119 0.000 0.666 166 V HN 0.365 nan 8.190 nan 0.000 0.456 167 V N 0.390 120.166 119.914 -0.231 0.000 2.295 167 V HA -0.261 3.849 4.120 -0.016 0.000 0.246 167 V C 2.727 178.710 176.094 -0.186 0.000 1.049 167 V CA 2.092 64.258 62.300 -0.224 0.000 1.024 167 V CB -1.182 30.416 31.823 -0.375 0.000 0.648 167 V HN 0.556 nan 8.190 nan 0.000 0.447 168 A N -0.374 122.338 122.820 -0.180 0.000 1.908 168 A HA -0.220 4.090 4.320 -0.016 0.000 0.218 168 A C 2.481 179.985 177.584 -0.133 0.000 1.181 168 A CA 2.406 54.425 52.037 -0.031 0.000 0.627 168 A CB -0.716 18.253 19.000 -0.051 0.000 0.818 168 A HN 0.514 nan 8.150 nan 0.000 0.445 169 S N -0.538 114.978 115.700 -0.306 0.000 2.368 169 S HA -0.085 4.375 4.470 -0.016 0.000 0.224 169 S C 1.985 176.416 174.600 -0.281 0.000 1.029 169 S CA 1.447 59.441 58.200 -0.344 0.000 0.988 169 S CB -0.284 62.584 63.200 -0.553 0.000 0.838 169 S HN 0.472 nan 8.310 nan 0.000 0.462 170 M N 1.084 120.521 119.600 -0.273 0.000 2.279 170 M HA -0.012 4.458 4.480 -0.016 0.000 0.264 170 M C 2.145 178.331 176.300 -0.189 0.000 1.062 170 M CA 1.080 56.229 55.300 -0.251 0.000 1.099 170 M CB -0.992 31.456 32.600 -0.254 0.000 1.394 170 M HN 0.273 nan 8.290 nan 0.000 0.426 171 R N 0.459 120.844 120.500 -0.191 0.000 2.120 171 R HA -0.087 4.243 4.340 -0.016 0.000 0.234 171 R C 1.935 178.107 176.300 -0.214 0.000 1.123 171 R CA 1.136 57.107 56.100 -0.214 0.000 0.975 171 R CB -0.063 30.023 30.300 -0.357 0.000 0.866 171 R HN 0.331 nan 8.270 nan 0.000 0.446 172 I N -0.167 120.281 120.570 -0.204 0.000 2.400 172 I HA -0.183 3.977 4.170 -0.016 0.000 0.248 172 I C 1.894 177.936 176.117 -0.125 0.000 1.109 172 I CA 0.680 61.887 61.300 -0.155 0.000 1.425 172 I CB -0.012 37.920 38.000 -0.113 0.000 1.094 172 I HN 0.144 nan 8.210 nan 0.000 0.425 173 M N 0.202 119.716 119.600 -0.142 0.000 2.558 173 M HA 0.089 4.560 4.480 -0.016 0.000 0.255 173 M C 0.988 177.232 176.300 -0.092 0.000 1.113 173 M CA 0.682 55.907 55.300 -0.126 0.000 1.097 173 M CB -1.023 31.466 32.600 -0.184 0.000 1.426 173 M HN 0.328 nan 8.290 nan 0.000 0.488 174 T N -1.567 112.938 114.554 -0.082 0.000 2.831 174 T HA 0.670 5.011 4.350 -0.016 0.000 0.287 174 T C -0.496 174.213 174.700 0.016 0.000 1.070 174 T CA -0.974 61.124 62.100 -0.002 0.000 1.010 174 T CB 2.111 71.004 68.868 0.042 0.000 1.264 174 T HN 0.002 nan 8.240 nan 0.000 0.532 175 R N 0.932 121.467 120.500 0.058 0.000 2.221 175 R HA 0.601 4.932 4.340 -0.016 0.000 0.327 175 R C -0.268 176.076 176.300 0.074 0.000 1.033 175 R CA -0.426 55.695 56.100 0.034 0.000 0.887 175 R CB 0.819 31.127 30.300 0.013 0.000 1.057 175 R HN 0.574 nan 8.270 nan 0.000 0.455 176 M N 2.225 121.849 119.600 0.039 0.000 2.395 176 M HA 0.641 5.112 4.480 -0.016 0.000 0.307 176 M C -0.209 176.111 176.300 0.034 0.000 1.091 176 M CA -0.059 55.279 55.300 0.064 0.000 0.919 176 M CB 1.905 34.518 32.600 0.021 0.000 1.662 176 M HN 0.747 nan 8.290 nan 0.000 0.440 177 G N 2.292 111.119 108.800 0.046 0.000 2.293 177 G HA2 -0.108 3.843 3.960 -0.016 0.000 0.282 177 G HA3 -0.108 3.843 3.960 -0.016 0.000 0.282 177 G C 0.053 174.962 174.900 0.015 0.000 1.299 177 G CA -0.049 45.070 45.100 0.032 0.000 1.018 177 G HN 0.538 nan 8.290 nan 0.000 0.478 178 T N 1.038 115.598 114.554 0.009 0.000 2.699 178 T HA -0.116 4.225 4.350 -0.016 0.000 0.268 178 T C 2.666 177.359 174.700 -0.011 0.000 1.036 178 T CA 2.561 64.659 62.100 -0.004 0.000 1.147 178 T CB -0.467 68.399 68.868 -0.004 0.000 0.862 178 T HN 0.590 nan 8.240 nan 0.000 0.446 179 S N 0.671 116.366 115.700 -0.008 0.000 2.419 179 S HA -0.062 4.398 4.470 -0.016 0.000 0.233 179 S C 2.218 176.807 174.600 -0.018 0.000 1.016 179 S CA 0.574 58.766 58.200 -0.013 0.000 0.974 179 S CB -0.361 62.832 63.200 -0.012 0.000 0.786 179 S HN 0.305 nan 8.310 nan 0.000 0.492 180 V N 1.825 121.729 119.914 -0.017 0.000 2.379 180 V HA -0.067 4.043 4.120 -0.016 0.000 0.245 180 V C 2.105 178.170 176.094 -0.048 0.000 1.044 180 V CA 1.219 63.503 62.300 -0.027 0.000 1.036 180 V CB -0.643 31.168 31.823 -0.020 0.000 0.664 180 V HN 0.428 nan 8.190 nan 0.000 0.453 181 L N -0.148 121.044 121.223 -0.051 0.000 2.079 181 L HA -0.223 4.107 4.340 -0.016 0.000 0.210 181 L C 2.538 179.379 176.870 -0.048 0.000 1.081 181 L CA 1.733 56.533 54.840 -0.067 0.000 0.752 181 L CB -0.564 41.459 42.059 -0.060 0.000 0.896 181 L HN 0.423 nan 8.230 nan 0.000 0.433 182 E N -0.122 120.059 120.200 -0.033 0.000 2.107 182 E HA -0.137 4.203 4.350 -0.016 0.000 0.191 182 E C 2.302 178.888 176.600 -0.023 0.000 0.982 182 E CA 0.948 57.333 56.400 -0.025 0.000 0.809 182 E CB -0.118 29.571 29.700 -0.019 0.000 0.756 182 E HN 0.490 nan 8.360 nan 0.000 0.459 183 A N 1.150 123.955 122.820 -0.025 0.000 1.968 183 A HA -0.113 4.197 4.320 -0.016 0.000 0.217 183 A C 2.132 179.706 177.584 -0.018 0.000 1.169 183 A CA 0.731 52.755 52.037 -0.020 0.000 0.638 183 A CB -0.353 18.635 19.000 -0.020 0.000 0.812 183 A HN 0.213 nan 8.150 nan 0.000 0.446 184 L N -0.583 120.624 121.223 -0.027 0.000 2.056 184 L HA 0.161 4.491 4.340 -0.016 0.000 0.207 184 L C 1.789 178.657 176.870 -0.004 0.000 1.078 184 L CA 1.858 56.686 54.840 -0.020 0.000 0.749 184 L CB -1.153 40.870 42.059 -0.060 0.000 0.901 184 L HN 0.659 nan 8.230 nan 0.000 0.433 185 G N 0.104 108.896 108.800 -0.015 0.000 2.672 185 G HA2 -0.494 3.457 3.960 -0.016 0.000 0.324 185 G HA3 -0.494 3.457 3.960 -0.016 0.000 0.324 185 G C 0.459 175.366 174.900 0.012 0.000 1.286 185 G CA 0.738 45.835 45.100 -0.005 0.000 1.004 185 G HN 0.670 nan 8.290 nan 0.000 0.548 186 D N 1.812 122.226 120.400 0.023 0.000 2.336 186 D HA 0.416 5.047 4.640 -0.016 0.000 0.228 186 D C 1.188 177.524 176.300 0.060 0.000 1.120 186 D CA 0.924 54.950 54.000 0.043 0.000 0.839 186 D CB -0.623 40.195 40.800 0.030 0.000 0.932 186 D HN 0.787 nan 8.370 nan 0.000 0.509 187 G N -0.236 108.602 108.800 0.063 0.000 2.616 187 G HA2 0.219 4.170 3.960 -0.016 0.000 0.268 187 G HA3 0.219 4.170 3.960 -0.016 0.000 0.268 187 G C -0.113 174.858 174.900 0.119 0.000 1.213 187 G CA -0.664 44.475 45.100 0.065 0.000 0.926 187 G HN 0.115 nan 8.290 nan 0.000 0.523 188 E N -0.878 119.355 120.200 0.055 0.000 2.373 188 E HA 0.429 4.769 4.350 -0.016 0.000 0.263 188 E C -0.829 175.800 176.600 0.048 0.000 1.073 188 E CA 0.142 56.527 56.400 -0.026 0.000 0.894 188 E CB 1.101 30.747 29.700 -0.089 0.000 1.008 188 E HN 0.370 nan 8.360 nan 0.000 0.420 189 F N -0.561 119.296 119.950 -0.154 0.000 2.626 189 F HA 0.480 4.997 4.527 -0.016 0.000 0.311 189 F C -0.841 174.769 175.800 -0.316 0.000 1.088 189 F CA -1.706 56.154 58.000 -0.232 0.000 0.949 189 F CB 0.384 39.231 39.000 -0.255 0.000 1.322 189 F HN 0.292 nan 8.300 nan 0.000 0.461 190 I N 1.545 121.908 120.570 -0.344 0.000 2.474 190 I HA 0.405 4.566 4.170 -0.016 0.000 0.287 190 I C -0.725 175.183 176.117 -0.348 0.000 1.048 190 I CA -0.256 60.761 61.300 -0.471 0.000 1.383 190 I CB 1.098 38.688 38.000 -0.683 0.000 1.412 190 I HN 0.634 nan 8.210 nan 0.000 0.531 191 K N 6.955 127.084 120.400 -0.452 0.000 2.267 191 K HA 0.425 4.735 4.320 -0.016 0.000 0.282 191 K C -1.319 175.205 176.600 -0.126 0.000 1.078 191 K CA -0.459 55.447 56.287 -0.635 0.000 0.903 191 K CB 0.489 32.452 32.500 -0.896 0.000 1.111 191 K HN 0.630 nan 8.250 nan 0.000 0.475 192 C N 4.270 123.696 119.300 0.211 0.000 2.345 192 C HA 0.490 4.940 4.460 -0.016 0.000 0.323 192 C C -0.741 174.535 174.990 0.476 0.000 1.276 192 C CA -1.078 58.129 59.018 0.315 0.000 1.543 192 C CB 0.103 28.036 27.740 0.322 0.000 2.211 192 C HN 0.688 nan 8.230 nan 0.000 0.493 193 L N 4.580 126.024 121.223 0.369 0.000 2.356 193 L HA 0.636 4.966 4.340 -0.016 0.000 0.277 193 L C -0.593 176.507 176.870 0.383 0.000 0.996 193 L CA 0.176 55.208 54.840 0.321 0.000 0.822 193 L CB 0.872 43.045 42.059 0.191 0.000 1.256 193 L HN 0.844 nan 8.230 nan 0.000 0.413 194 H N 3.215 122.453 119.070 0.280 0.000 2.771 194 H HA 0.639 5.185 4.556 -0.016 0.000 0.361 194 H C -1.884 173.598 175.328 0.257 0.000 1.108 194 H CA -0.412 55.809 56.048 0.287 0.000 1.201 194 H CB 2.120 31.983 29.762 0.169 0.000 1.681 194 H HN 0.685 nan 8.280 nan 0.000 0.534 195 S N 3.162 118.555 115.700 -0.511 0.000 2.541 195 S HA 0.212 4.672 4.470 -0.016 0.000 0.280 195 S C 1.110 175.121 174.600 -0.980 0.000 1.112 195 S CA -0.240 57.573 58.200 -0.644 0.000 0.925 195 S CB 1.217 64.195 63.200 -0.369 0.000 1.067 195 S HN 0.566 nan 8.310 nan 0.000 0.479 196 V N 2.127 121.616 119.914 -0.708 0.000 2.913 196 V HA 0.302 4.413 4.120 -0.016 0.000 0.260 196 V C 1.482 177.152 176.094 -0.707 0.000 1.098 196 V CA 1.247 63.211 62.300 -0.560 0.000 1.121 196 V CB -1.454 30.147 31.823 -0.370 0.000 0.714 196 V HN 1.847 nan 8.190 nan 0.000 0.487 197 G N -0.717 107.560 108.800 -0.873 0.000 2.149 197 G HA2 -0.232 3.718 3.960 -0.016 0.000 0.235 197 G HA3 -0.232 3.718 3.960 -0.016 0.000 0.235 197 G C -0.019 174.661 174.900 -0.367 0.000 1.018 197 G CA -0.044 44.454 45.100 -1.003 0.000 0.728 197 G HN 0.866 nan 8.290 nan 0.000 0.508 198 C N 2.142 121.281 119.300 -0.268 0.000 3.335 198 C HA 0.438 4.888 4.460 -0.016 0.000 0.217 198 C C -1.310 173.618 174.990 -0.104 0.000 1.330 198 C CA -1.528 57.401 59.018 -0.148 0.000 1.470 198 C CB 0.392 28.050 27.740 -0.137 0.000 1.806 198 C HN 0.509 nan 8.230 nan 0.000 0.468 199 P HA 0.120 nan 4.420 nan 0.000 0.267 199 P C -0.624 176.650 177.300 -0.044 0.000 1.200 199 P CA 0.524 63.590 63.100 -0.056 0.000 0.772 199 P CB 1.039 32.715 31.700 -0.040 0.000 0.855 200 L N 3.848 125.048 121.223 -0.039 0.000 2.334 200 L HA 0.398 4.729 4.340 -0.016 0.000 0.277 200 L C -1.587 175.266 176.870 -0.027 0.000 1.075 200 L CA -2.198 52.624 54.840 -0.030 0.000 0.804 200 L CB 0.598 42.642 42.059 -0.025 0.000 1.174 200 L HN 0.285 nan 8.230 nan 0.000 0.438 201 P HA 0.155 nan 4.420 nan 0.000 0.275 201 P C -0.600 176.689 177.300 -0.018 0.000 1.227 201 P CA -0.440 62.650 63.100 -0.017 0.000 0.781 201 P CB 0.775 32.468 31.700 -0.013 0.000 0.906 202 L N 3.177 124.389 121.223 -0.017 0.000 2.559 202 L HA -0.010 4.320 4.340 -0.016 0.000 0.274 202 L C 1.787 178.649 176.870 -0.014 0.000 1.205 202 L CA 0.393 55.221 54.840 -0.019 0.000 0.907 202 L CB 0.051 42.101 42.059 -0.016 0.000 1.153 202 L HN 0.402 nan 8.230 nan 0.000 0.490 203 K N 2.583 122.974 120.400 -0.015 0.000 2.323 203 K HA 0.132 4.442 4.320 -0.016 0.000 0.197 203 K C 0.121 176.717 176.600 -0.006 0.000 1.043 203 K CA 0.579 56.860 56.287 -0.010 0.000 0.997 203 K CB 0.392 32.886 32.500 -0.011 0.000 0.807 203 K HN 0.516 nan 8.250 nan 0.000 0.497 204 K N 1.198 121.595 120.400 -0.006 0.000 2.395 204 K HA 0.359 4.669 4.320 -0.016 0.000 0.247 204 K C -2.753 173.849 176.600 0.002 0.000 0.973 204 K CA -2.061 54.226 56.287 -0.000 0.000 0.828 204 K CB 1.639 34.141 32.500 0.002 0.000 1.272 204 K HN -0.232 nan 8.250 nan 0.000 0.439 205 P HA 0.063 nan 4.420 nan 0.000 0.271 205 P C -1.098 176.213 177.300 0.017 0.000 1.218 205 P CA -0.559 62.548 63.100 0.011 0.000 0.780 205 P CB 0.399 32.107 31.700 0.013 0.000 0.901 206 L N 4.078 125.312 121.223 0.019 0.000 2.276 206 L HA 0.282 4.613 4.340 -0.016 0.000 0.286 206 L C -0.796 176.103 176.870 0.047 0.000 1.061 206 L CA -0.188 54.671 54.840 0.030 0.000 0.807 206 L CB 0.845 42.916 42.059 0.020 0.000 1.177 206 L HN 0.061 nan 8.230 nan 0.000 0.429 207 V N 5.780 125.739 119.914 0.074 0.000 2.398 207 V HA 0.332 4.442 4.120 -0.016 0.000 0.286 207 V C 0.442 176.600 176.094 0.107 0.000 1.026 207 V CA -0.658 61.685 62.300 0.072 0.000 0.868 207 V CB 1.065 32.928 31.823 0.067 0.000 0.982 207 V HN 0.949 nan 8.190 nan 0.000 0.443 208 N N 4.444 123.188 118.700 0.073 0.000 2.721 208 N HA -0.224 4.506 4.740 -0.016 0.000 0.249 208 N C 0.365 175.965 175.510 0.150 0.000 1.072 208 N CA 0.554 53.657 53.050 0.088 0.000 0.710 208 N CB -0.907 37.616 38.487 0.059 0.000 0.993 208 N HN 0.843 nan 8.380 nan 0.000 0.547 209 N N -2.198 116.576 118.700 0.123 0.000 2.693 209 N HA -0.218 4.513 4.740 -0.016 0.000 0.249 209 N C -1.132 174.480 175.510 0.170 0.000 1.119 209 N CA 1.346 54.464 53.050 0.114 0.000 0.717 209 N CB -0.862 37.680 38.487 0.093 0.000 1.071 209 N HN 0.642 nan 8.380 nan 0.000 0.555 210 W N 1.157 122.448 121.300 -0.015 0.000 2.391 210 W HA 0.594 5.246 4.660 -0.013 0.000 0.312 210 W C -0.461 176.040 176.519 -0.030 0.000 1.003 210 W CA -0.802 56.525 57.345 -0.030 0.000 1.375 210 W CB 0.643 30.090 29.460 -0.021 0.000 1.253 210 W HN 0.089 nan 8.180 nan 0.000 0.416 211 A N 5.353 127.963 122.820 -0.350 0.000 2.492 211 A HA 0.517 4.828 4.320 -0.016 0.000 0.254 211 A C -0.046 177.321 177.584 -0.361 0.000 1.091 211 A CA 0.561 52.426 52.037 -0.287 0.000 0.768 211 A CB -0.309 18.531 19.000 -0.267 0.000 1.028 211 A HN 0.908 nan 8.150 nan 0.000 0.498 212 C N 0.514 119.725 119.300 -0.147 0.000 3.292 212 C HA 0.732 5.183 4.460 -0.016 0.000 0.338 212 C C -0.747 174.205 174.990 -0.063 0.000 1.323 212 C CA -1.012 57.954 59.018 -0.086 0.000 1.232 212 C CB 0.788 28.608 27.740 0.133 0.000 1.517 212 C HN 0.918 nan 8.230 nan 0.000 0.470 213 N N 0.955 119.612 118.700 -0.073 0.000 2.727 213 N HA 0.423 5.154 4.740 -0.016 0.000 0.252 213 N C -2.174 173.360 175.510 0.039 0.000 1.283 213 N CA -1.336 51.697 53.050 -0.029 0.000 0.782 213 N CB 1.441 39.881 38.487 -0.077 0.000 1.199 213 N HN 0.529 nan 8.380 nan 0.000 0.520 214 P HA -0.120 nan 4.420 nan 0.000 0.216 214 P C 0.550 177.895 177.300 0.075 0.000 1.150 214 P CA 1.218 64.361 63.100 0.072 0.000 0.837 214 P CB 0.362 32.101 31.700 0.065 0.000 0.786 215 E N -0.745 119.495 120.200 0.066 0.000 2.153 215 E HA -0.069 4.271 4.350 -0.016 0.000 0.194 215 E C 1.482 178.127 176.600 0.076 0.000 0.988 215 E CA 0.861 57.297 56.400 0.060 0.000 0.811 215 E CB -0.633 29.094 29.700 0.044 0.000 0.746 215 E HN 0.254 nan 8.360 nan 0.000 0.466 216 L N 0.545 121.837 121.223 0.116 0.000 2.700 216 L HA 0.168 4.498 4.340 -0.016 0.000 0.234 216 L C 0.159 177.172 176.870 0.239 0.000 1.156 216 L CA -0.263 54.664 54.840 0.145 0.000 0.946 216 L CB 0.215 42.383 42.059 0.182 0.000 1.216 216 L HN -0.072 nan 8.230 nan 0.000 0.493 217 T N 2.123 116.793 114.554 0.193 0.000 2.902 217 T HA 0.270 4.611 4.350 -0.016 0.000 0.301 217 T C -0.427 174.402 174.700 0.215 0.000 1.012 217 T CA 0.549 62.776 62.100 0.210 0.000 1.151 217 T CB 0.927 69.885 68.868 0.149 0.000 0.946 217 T HN -0.026 nan 8.240 nan 0.000 0.542 218 L N 4.943 126.330 121.223 0.273 0.000 2.614 218 L HA 0.543 4.873 4.340 -0.016 0.000 0.264 218 L C -1.831 175.228 176.870 0.314 0.000 0.940 218 L CA -0.383 54.620 54.840 0.272 0.000 0.903 218 L CB 1.511 43.739 42.059 0.282 0.000 1.306 218 L HN 0.521 nan 8.230 nan 0.000 0.410 219 I N 5.032 125.759 120.570 0.262 0.000 2.390 219 I HA 0.784 4.944 4.170 -0.016 0.000 0.283 219 I C 0.125 176.332 176.117 0.149 0.000 1.016 219 I CA -0.050 61.383 61.300 0.222 0.000 1.151 219 I CB 1.646 39.787 38.000 0.236 0.000 1.293 219 I HN 0.713 nan 8.210 nan 0.000 0.458 220 A N 5.031 127.869 122.820 0.030 0.000 2.340 220 A HA 0.884 5.194 4.320 -0.016 0.000 0.331 220 A C -1.121 176.225 177.584 -0.398 0.000 1.140 220 A CA -0.504 51.481 52.037 -0.087 0.000 0.801 220 A CB 0.550 19.445 19.000 -0.175 0.000 1.234 220 A HN 0.688 nan 8.150 nan 0.000 0.469 221 H N 0.356 119.367 119.070 -0.098 0.000 2.589 221 H HA 0.586 5.132 4.556 -0.016 0.000 0.351 221 H C -1.391 173.855 175.328 -0.136 0.000 1.074 221 H CA -0.482 55.535 56.048 -0.052 0.000 1.203 221 H CB 1.390 31.183 29.762 0.051 0.000 1.558 221 H HN 0.386 nan 8.280 nan 0.000 0.522 222 L N 5.275 126.467 121.223 -0.053 0.000 2.445 222 L HA 0.301 4.632 4.340 -0.016 0.000 0.252 222 L C -1.778 175.079 176.870 -0.023 0.000 1.105 222 L CA -1.218 53.564 54.840 -0.097 0.000 0.943 222 L CB 1.519 43.455 42.059 -0.205 0.000 1.277 222 L HN 0.528 nan 8.230 nan 0.000 0.465 223 P HA -0.106 nan 4.420 nan 0.000 0.219 223 P C 0.573 177.872 177.300 -0.001 0.000 1.150 223 P CA 1.113 64.237 63.100 0.040 0.000 0.814 223 P CB 0.481 32.218 31.700 0.063 0.000 0.787 224 D N 0.086 120.479 120.400 -0.010 0.000 2.144 224 D HA -0.106 4.524 4.640 -0.016 0.000 0.200 224 D C 1.957 178.226 176.300 -0.051 0.000 0.978 224 D CA 0.998 54.982 54.000 -0.026 0.000 0.833 224 D CB -0.378 40.413 40.800 -0.015 0.000 0.961 224 D HN 0.237 nan 8.370 nan 0.000 0.470 225 R N 0.162 120.624 120.500 -0.064 0.000 2.299 225 R HA 0.167 4.498 4.340 -0.016 0.000 0.197 225 R C 0.124 176.345 176.300 -0.131 0.000 0.971 225 R CA -0.068 55.975 56.100 -0.095 0.000 1.030 225 R CB 0.213 30.454 30.300 -0.098 0.000 0.932 225 R HN 0.065 nan 8.270 nan 0.000 0.477 226 R N 1.074 121.512 120.500 -0.104 0.000 3.336 226 R HA -0.184 4.146 4.340 -0.016 0.000 0.260 226 R C -1.146 175.050 176.300 -0.173 0.000 1.032 226 R CA 0.804 56.829 56.100 -0.126 0.000 0.693 226 R CB -1.858 28.329 30.300 -0.189 0.000 1.134 226 R HN 0.392 nan 8.270 nan 0.000 0.433 227 E N 0.336 120.468 120.200 -0.114 0.000 2.266 227 E HA 0.565 4.906 4.350 -0.016 0.000 0.268 227 E C -0.382 176.184 176.600 -0.057 0.000 0.879 227 E CA -0.875 55.460 56.400 -0.108 0.000 0.762 227 E CB 2.068 31.701 29.700 -0.111 0.000 1.199 227 E HN 0.122 nan 8.360 nan 0.000 0.422 228 I N 3.431 123.989 120.570 -0.020 0.000 2.436 228 I HA 0.447 4.607 4.170 -0.016 0.000 0.289 228 I C -0.734 175.403 176.117 0.035 0.000 1.010 228 I CA -0.604 60.675 61.300 -0.036 0.000 1.098 228 I CB 1.414 39.431 38.000 0.029 0.000 1.266 228 I HN 0.356 nan 8.210 nan 0.000 0.434 229 I N 4.856 125.437 120.570 0.019 0.000 2.468 229 I HA 0.286 4.446 4.170 -0.016 0.000 0.284 229 I C -0.532 175.789 176.117 0.340 0.000 1.038 229 I CA -0.191 61.222 61.300 0.189 0.000 1.083 229 I CB 1.976 40.123 38.000 0.245 0.000 1.223 229 I HN 0.456 nan 8.210 nan 0.000 0.443 230 S N 6.666 122.649 115.700 0.471 0.000 2.532 230 S HA 0.693 5.154 4.470 -0.016 0.000 0.299 230 S C -1.368 173.592 174.600 0.599 0.000 1.105 230 S CA -0.377 58.117 58.200 0.490 0.000 1.018 230 S CB 1.115 64.558 63.200 0.406 0.000 1.021 230 S HN 0.402 nan 8.310 nan 0.000 0.483 231 F N 3.503 123.620 119.950 0.278 0.000 2.547 231 F HA 0.655 5.172 4.527 -0.017 0.000 0.316 231 F C 0.841 176.630 175.800 -0.017 0.000 1.121 231 F CA 0.584 58.570 58.000 -0.023 0.000 0.911 231 F CB 1.698 40.554 39.000 -0.239 0.000 1.179 231 F HN 0.839 nan 8.300 nan 0.000 0.443 232 G N 2.695 111.175 108.800 -0.535 0.000 2.232 232 G HA2 -0.188 3.763 3.960 -0.016 0.000 0.226 232 G HA3 -0.188 3.763 3.960 -0.016 0.000 0.226 232 G C -0.085 174.774 174.900 -0.068 0.000 0.996 232 G CA 0.108 45.008 45.100 -0.333 0.000 0.626 232 G HN 1.044 nan 8.290 nan 0.000 0.509 233 S N -0.120 115.626 115.700 0.078 0.000 2.503 233 S HA 0.641 5.101 4.470 -0.016 0.000 0.301 233 S C 1.158 175.937 174.600 0.298 0.000 1.087 233 S CA 0.748 59.072 58.200 0.208 0.000 1.042 233 S CB 1.590 64.939 63.200 0.249 0.000 1.043 233 S HN 1.349 nan 8.310 nan 0.000 0.489 234 G N 2.195 111.177 108.800 0.303 0.000 3.088 234 G HA2 0.145 4.095 3.960 -0.016 0.000 0.217 234 G HA3 0.145 4.095 3.960 -0.016 0.000 0.217 234 G C -0.246 174.905 174.900 0.417 0.000 1.159 234 G CA -0.014 45.215 45.100 0.214 0.000 0.760 234 G HN 0.671 nan 8.290 nan 0.000 0.550 235 Y N 1.426 121.952 120.300 0.377 0.000 2.313 235 Y HA 0.437 4.979 4.550 -0.013 0.000 0.332 235 Y C 1.441 177.478 175.900 0.227 0.000 1.071 235 Y CA 0.334 58.640 58.100 0.344 0.000 1.169 235 Y CB 1.141 39.741 38.460 0.232 0.000 1.192 235 Y HN 0.339 nan 8.280 nan 0.000 0.487 236 G N 3.754 112.494 108.800 -0.100 0.000 2.698 236 G HA2 -0.439 3.512 3.960 -0.016 0.000 0.346 236 G HA3 -0.439 3.512 3.960 -0.016 0.000 0.346 236 G C 1.350 176.237 174.900 -0.021 0.000 1.287 236 G CA 0.694 45.712 45.100 -0.137 0.000 0.990 236 G HN 1.344 nan 8.290 nan 0.000 0.545 237 G N -0.037 108.866 108.800 0.172 0.000 2.498 237 G HA2 -0.093 3.858 3.960 -0.016 0.000 0.219 237 G HA3 -0.093 3.858 3.960 -0.016 0.000 0.219 237 G C 1.467 176.472 174.900 0.174 0.000 1.119 237 G CA 1.440 46.632 45.100 0.153 0.000 0.766 237 G HN 0.771 nan 8.290 nan 0.000 0.552 238 N N 0.002 118.826 118.700 0.207 0.000 2.409 238 N HA -0.017 4.713 4.740 -0.016 0.000 0.179 238 N C 2.083 177.671 175.510 0.131 0.000 1.032 238 N CA 1.082 54.255 53.050 0.205 0.000 0.898 238 N CB 0.153 38.789 38.487 0.249 0.000 0.971 238 N HN 0.455 nan 8.380 nan 0.000 0.441 239 S N -0.353 115.346 115.700 -0.001 0.000 2.619 239 S HA 0.202 4.663 4.470 -0.016 0.000 0.238 239 S C 0.376 174.788 174.600 -0.314 0.000 1.068 239 S CA -0.494 57.532 58.200 -0.291 0.000 0.926 239 S CB 0.081 63.064 63.200 -0.361 0.000 0.864 239 S HN 0.003 nan 8.310 nan 0.000 0.493 240 L N 3.236 124.328 121.223 -0.218 0.000 2.358 240 L HA 0.427 4.758 4.340 -0.016 0.000 0.274 240 L C 0.662 177.424 176.870 -0.180 0.000 1.136 240 L CA -0.303 54.377 54.840 -0.268 0.000 0.970 240 L CB 0.464 42.307 42.059 -0.359 0.000 1.314 240 L HN 0.238 nan 8.230 nan 0.000 0.427 241 L N 1.691 122.818 121.223 -0.159 0.000 2.478 241 L HA 0.018 4.349 4.340 -0.016 0.000 0.223 241 L C 2.342 179.270 176.870 0.096 0.000 1.140 241 L CA 0.654 55.498 54.840 0.007 0.000 0.842 241 L CB -0.305 41.801 42.059 0.078 0.000 0.953 241 L HN 0.755 nan 8.230 nan 0.000 0.452 242 G N 0.187 108.916 108.800 -0.119 0.000 2.484 242 G HA2 -0.204 3.747 3.960 -0.016 0.000 0.218 242 G HA3 -0.204 3.747 3.960 -0.016 0.000 0.218 242 G C 1.583 176.626 174.900 0.239 0.000 1.130 242 G CA 0.376 45.575 45.100 0.165 0.000 0.784 242 G HN 0.286 nan 8.290 nan 0.000 0.543 243 K N 0.053 120.493 120.400 0.067 0.000 2.049 243 K HA 0.085 4.395 4.320 -0.016 0.000 0.214 243 K C 2.356 178.988 176.600 0.054 0.000 1.026 243 K CA 0.352 56.653 56.287 0.023 0.000 0.954 243 K CB -0.037 32.423 32.500 -0.067 0.000 0.838 243 K HN -0.126 nan 8.250 nan 0.000 0.450 244 K N 0.639 121.061 120.400 0.036 0.000 2.044 244 K HA -0.037 4.274 4.320 -0.016 0.000 0.204 244 K C 2.378 179.101 176.600 0.204 0.000 1.049 244 K CA 1.140 57.436 56.287 0.016 0.000 0.945 244 K CB -0.741 31.808 32.500 0.081 0.000 0.724 244 K HN 0.349 nan 8.250 nan 0.000 0.440 245 C N 0.680 120.170 119.300 0.318 0.000 2.432 245 C HA -0.071 4.379 4.460 -0.016 0.000 0.277 245 C C 2.582 177.879 174.990 0.511 0.000 1.249 245 C CA 0.289 59.607 59.018 0.501 0.000 1.725 245 C CB -0.853 27.138 27.740 0.419 0.000 2.028 245 C HN 0.372 nan 8.230 nan 0.000 0.477 246 F N 1.971 122.093 119.950 0.286 0.000 2.164 246 F HA 0.282 4.800 4.527 -0.016 0.000 0.287 246 F C 2.325 178.345 175.800 0.366 0.000 1.086 246 F CA 1.280 59.471 58.000 0.320 0.000 1.249 246 F CB -1.034 38.191 39.000 0.375 0.000 1.059 246 F HN 0.080 nan 8.300 nan 0.000 0.490 247 A N 0.093 123.049 122.820 0.226 0.000 2.119 247 A HA 0.046 4.356 4.320 -0.016 0.000 0.217 247 A C 2.084 179.865 177.584 0.329 0.000 1.153 247 A CA 1.455 53.659 52.037 0.277 0.000 0.692 247 A CB -0.704 18.421 19.000 0.209 0.000 0.799 247 A HN 0.508 nan 8.150 nan 0.000 0.458 248 L N -2.440 118.888 121.223 0.176 0.000 2.435 248 L HA 0.127 4.458 4.340 -0.016 0.000 0.195 248 L C 2.691 179.649 176.870 0.147 0.000 1.072 248 L CA 0.185 55.108 54.840 0.139 0.000 0.833 248 L CB -0.367 41.669 42.059 -0.038 0.000 1.081 248 L HN 0.199 nan 8.230 nan 0.000 0.485 249 R N 0.282 120.875 120.500 0.156 0.000 2.057 249 R HA -0.021 4.309 4.340 -0.016 0.000 0.229 249 R C 2.187 178.574 176.300 0.145 0.000 1.136 249 R CA 1.059 57.224 56.100 0.110 0.000 0.952 249 R CB -0.144 30.100 30.300 -0.093 0.000 0.848 249 R HN 0.187 nan 8.270 nan 0.000 0.430 250 I N 1.105 121.811 120.570 0.226 0.000 2.179 250 I HA -0.193 3.968 4.170 -0.016 0.000 0.242 250 I C 2.550 178.711 176.117 0.073 0.000 1.088 250 I CA 1.353 62.788 61.300 0.225 0.000 1.357 250 I CB -1.269 37.004 38.000 0.454 0.000 1.051 250 I HN 0.157 nan 8.210 nan 0.000 0.409 251 A N 1.087 123.891 122.820 -0.026 0.000 1.969 251 A HA -0.179 4.132 4.320 -0.016 0.000 0.218 251 A C 2.514 179.860 177.584 -0.397 0.000 1.169 251 A CA 2.035 53.910 52.037 -0.270 0.000 0.635 251 A CB -0.723 18.080 19.000 -0.328 0.000 0.810 251 A HN 0.570 nan 8.150 nan 0.000 0.445 252 S N -0.126 115.513 115.700 -0.102 0.000 2.402 252 S HA -0.204 4.256 4.470 -0.016 0.000 0.229 252 S C 2.017 176.583 174.600 -0.057 0.000 1.021 252 S CA 1.254 59.467 58.200 0.022 0.000 0.974 252 S CB -0.416 62.995 63.200 0.350 0.000 0.800 252 S HN 0.665 nan 8.310 nan 0.000 0.484 253 R N 1.049 121.509 120.500 -0.066 0.000 2.073 253 R HA 0.158 4.489 4.340 -0.016 0.000 0.229 253 R C 2.321 178.361 176.300 -0.433 0.000 1.120 253 R CA 1.060 56.977 56.100 -0.305 0.000 0.967 253 R CB -0.460 29.794 30.300 -0.077 0.000 0.862 253 R HN 0.445 nan 8.270 nan 0.000 0.436 254 L N 0.565 121.579 121.223 -0.348 0.000 2.042 254 L HA -0.152 4.179 4.340 -0.016 0.000 0.210 254 L C 2.733 179.216 176.870 -0.645 0.000 1.076 254 L CA 1.381 56.014 54.840 -0.346 0.000 0.749 254 L CB -0.612 41.345 42.059 -0.171 0.000 0.893 254 L HN 0.345 nan 8.230 nan 0.000 0.432 255 A N 0.370 122.488 122.820 -1.170 0.000 1.902 255 A HA -0.266 4.045 4.320 -0.016 0.000 0.217 255 A C 2.308 179.362 177.584 -0.883 0.000 1.181 255 A CA 2.074 53.100 52.037 -1.684 0.000 0.623 255 A CB -0.424 17.610 19.000 -1.610 0.000 0.818 255 A HN 0.285 nan 8.150 nan 0.000 0.443 256 K N 0.525 120.410 120.400 -0.857 0.000 2.063 256 K HA -0.176 4.135 4.320 -0.016 0.000 0.208 256 K C 1.703 177.908 176.600 -0.659 0.000 1.048 256 K CA 2.199 57.826 56.287 -1.100 0.000 0.928 256 K CB -0.403 31.366 32.500 -1.218 0.000 0.713 256 K HN 0.622 nan 8.250 nan 0.000 0.442 257 E N -0.228 119.680 120.200 -0.486 0.000 2.204 257 E HA -0.135 4.206 4.350 -0.016 0.000 0.194 257 E C 1.261 177.775 176.600 -0.144 0.000 0.989 257 E CA 1.313 57.553 56.400 -0.267 0.000 0.824 257 E CB 0.080 29.652 29.700 -0.213 0.000 0.756 257 E HN 0.477 nan 8.360 nan 0.000 0.477 258 E N -1.149 118.974 120.200 -0.129 0.000 2.526 258 E HA 0.160 4.501 4.350 -0.016 0.000 0.208 258 E C 0.548 177.259 176.600 0.185 0.000 0.997 258 E CA 0.249 56.693 56.400 0.073 0.000 0.961 258 E CB 1.441 31.299 29.700 0.264 0.000 1.030 258 E HN 0.259 nan 8.360 nan 0.000 0.483 259 G N 1.550 110.421 108.800 0.118 0.000 2.131 259 G HA2 -0.171 3.780 3.960 -0.016 0.000 0.201 259 G HA3 -0.171 3.780 3.960 -0.016 0.000 0.201 259 G C -0.177 174.904 174.900 0.302 0.000 1.000 259 G CA 0.193 45.428 45.100 0.226 0.000 0.680 259 G HN 0.229 nan 8.290 nan 0.000 0.514 260 W N -1.117 120.227 121.300 0.073 0.000 3.686 260 W HA 0.863 5.514 4.660 -0.016 0.000 0.353 260 W C -0.748 175.811 176.519 0.066 0.000 1.210 260 W CA -1.578 55.777 57.345 0.017 0.000 0.925 260 W CB 0.696 30.122 29.460 -0.056 0.000 1.801 260 W HN 0.143 nan 8.180 nan 0.000 0.624 261 L N 1.099 122.467 121.223 0.242 0.000 2.445 261 L HA 0.724 5.055 4.340 -0.016 0.000 0.262 261 L C -0.658 176.361 176.870 0.247 0.000 0.974 261 L CA -0.992 53.908 54.840 0.100 0.000 0.822 261 L CB 1.952 44.017 42.059 0.010 0.000 1.339 261 L HN 0.590 nan 8.230 nan 0.000 0.409 262 A N 2.269 125.207 122.820 0.197 0.000 2.357 262 A HA 0.829 5.140 4.320 -0.016 0.000 0.295 262 A C -1.013 176.832 177.584 0.435 0.000 1.121 262 A CA -0.498 51.750 52.037 0.353 0.000 0.742 262 A CB 1.158 20.198 19.000 0.067 0.000 1.181 262 A HN 0.588 nan 8.150 nan 0.000 0.454 263 E N 0.674 121.161 120.200 0.479 0.000 2.393 263 E HA 0.203 4.544 4.350 -0.016 0.000 0.273 263 E C -1.092 175.733 176.600 0.375 0.000 0.918 263 E CA -0.600 56.086 56.400 0.477 0.000 0.773 263 E CB 1.602 31.637 29.700 0.559 0.000 1.275 263 E HN 0.799 nan 8.360 nan 0.000 0.451 264 H N 2.234 121.433 119.070 0.214 0.000 2.799 264 H HA 0.313 4.858 4.556 -0.017 0.000 0.225 264 H C -0.670 174.718 175.328 0.100 0.000 1.904 264 H CA -0.021 56.083 56.048 0.093 0.000 1.344 264 H CB -0.103 29.717 29.762 0.097 0.000 1.744 264 H HN 0.183 nan 8.280 nan 0.000 0.542 265 M N 3.748 123.428 119.600 0.133 0.000 2.393 265 M HA 0.178 4.649 4.480 -0.016 0.000 0.299 265 M C -0.766 175.533 176.300 -0.002 0.000 1.103 265 M CA -1.305 54.002 55.300 0.012 0.000 0.910 265 M CB 2.602 35.260 32.600 0.097 0.000 1.659 265 M HN 0.277 nan 8.290 nan 0.000 0.445 266 L N 1.416 122.584 121.223 -0.092 0.000 2.472 266 L HA 0.696 5.027 4.340 -0.016 0.000 0.260 266 L C -0.935 175.943 176.870 0.012 0.000 1.209 266 L CA 0.097 54.918 54.840 -0.032 0.000 0.817 266 L CB 0.249 42.260 42.059 -0.080 0.000 1.106 266 L HN 0.581 nan 8.230 nan 0.000 0.479 267 I N 2.445 123.058 120.570 0.071 0.000 2.499 267 I HA 0.494 4.654 4.170 -0.016 0.000 0.288 267 I C -0.972 175.246 176.117 0.169 0.000 1.048 267 I CA -0.650 60.725 61.300 0.126 0.000 1.062 267 I CB 1.835 39.921 38.000 0.144 0.000 1.238 267 I HN 0.683 nan 8.210 nan 0.000 0.426 268 L N 3.739 125.076 121.223 0.191 0.000 2.350 268 L HA 1.060 5.390 4.340 -0.016 0.000 0.260 268 L C -0.326 176.636 176.870 0.153 0.000 1.015 268 L CA -0.495 54.444 54.840 0.165 0.000 0.821 268 L CB 1.712 43.824 42.059 0.088 0.000 1.370 268 L HN 0.491 nan 8.230 nan 0.000 0.416 269 G N 1.583 110.373 108.800 -0.016 0.000 2.416 269 G HA2 0.680 4.630 3.960 -0.016 0.000 0.324 269 G HA3 0.680 4.630 3.960 -0.016 0.000 0.324 269 G C -1.128 173.674 174.900 -0.163 0.000 1.194 269 G CA -0.588 44.229 45.100 -0.471 0.000 0.922 269 G HN 1.123 nan 8.290 nan 0.000 0.467 270 I N 0.352 120.882 120.570 -0.067 0.000 2.545 270 I HA 0.754 4.915 4.170 -0.016 0.000 0.292 270 I C -0.870 175.358 176.117 0.186 0.000 1.040 270 I CA -0.584 60.792 61.300 0.127 0.000 1.068 270 I CB 2.682 40.843 38.000 0.268 0.000 1.251 270 I HN 0.323 nan 8.210 nan 0.000 0.424 271 T N 5.713 120.317 114.554 0.084 0.000 2.823 271 T HA 0.395 4.736 4.350 -0.016 0.000 0.279 271 T C -0.225 174.234 174.700 -0.402 0.000 0.998 271 T CA -0.654 61.401 62.100 -0.074 0.000 0.994 271 T CB 1.186 70.004 68.868 -0.082 0.000 0.960 271 T HN 0.824 nan 8.240 nan 0.000 0.448 272 N N 2.657 120.874 118.700 -0.804 0.000 2.491 272 N HA 0.414 5.144 4.740 -0.016 0.000 0.279 272 N C -2.506 172.395 175.510 -1.016 0.000 1.236 272 N CA -2.344 49.723 53.050 -1.639 0.000 0.982 272 N CB 0.050 37.312 38.487 -2.041 0.000 1.194 272 N HN 0.087 nan 8.380 nan 0.000 0.582 273 P HA 0.076 nan 4.420 nan 0.000 0.237 273 P C 0.046 177.140 177.300 -0.343 0.000 1.178 273 P CA 0.887 63.663 63.100 -0.541 0.000 0.766 273 P CB 0.231 31.676 31.700 -0.424 0.000 0.876 274 E N -0.992 118.993 120.200 -0.358 0.000 2.444 274 E HA 0.204 4.544 4.350 -0.016 0.000 0.191 274 E C 1.245 177.753 176.600 -0.154 0.000 1.041 274 E CA 0.178 56.458 56.400 -0.200 0.000 0.883 274 E CB -0.467 29.143 29.700 -0.150 0.000 1.024 274 E HN 0.139 nan 8.360 nan 0.000 0.470 275 G N 1.916 110.602 108.800 -0.190 0.000 2.147 275 G HA2 -0.314 3.637 3.960 -0.016 0.000 0.244 275 G HA3 -0.314 3.637 3.960 -0.016 0.000 0.244 275 G C 0.057 174.921 174.900 -0.059 0.000 1.005 275 G CA 0.402 45.433 45.100 -0.114 0.000 0.713 275 G HN 0.200 nan 8.290 nan 0.000 0.515 276 K N -0.210 120.158 120.400 -0.053 0.000 2.221 276 K HA 0.635 4.945 4.320 -0.016 0.000 0.258 276 K C 0.016 176.735 176.600 0.199 0.000 0.944 276 K CA -0.767 55.582 56.287 0.103 0.000 0.823 276 K CB 1.831 34.462 32.500 0.218 0.000 1.113 276 K HN 0.156 nan 8.250 nan 0.000 0.431 277 K N 2.497 123.003 120.400 0.177 0.000 2.324 277 K HA 0.366 4.677 4.320 -0.016 0.000 0.253 277 K C -1.253 175.395 176.600 0.080 0.000 0.932 277 K CA -0.680 55.688 56.287 0.134 0.000 0.799 277 K CB 1.034 33.534 32.500 0.001 0.000 1.154 277 K HN 0.381 nan 8.250 nan 0.000 0.425 278 K N 2.625 123.050 120.400 0.040 0.000 2.426 278 K HA 0.315 4.626 4.320 -0.016 0.000 0.251 278 K C -1.472 175.051 176.600 -0.129 0.000 0.941 278 K CA -0.878 55.365 56.287 -0.074 0.000 0.808 278 K CB 1.648 33.972 32.500 -0.292 0.000 1.265 278 K HN 0.378 nan 8.250 nan 0.000 0.432 279 Y N 1.492 121.819 120.300 0.044 0.000 2.342 279 Y HA 0.437 4.978 4.550 -0.016 0.000 0.334 279 Y C -0.052 175.880 175.900 0.053 0.000 1.067 279 Y CA -0.702 57.436 58.100 0.063 0.000 1.128 279 Y CB 1.094 39.586 38.460 0.054 0.000 1.200 279 Y HN 0.168 nan 8.280 nan 0.000 0.464 280 L N 2.834 124.175 121.223 0.197 0.000 2.354 280 L HA 0.889 5.219 4.340 -0.016 0.000 0.269 280 L C -0.433 176.503 176.870 0.111 0.000 1.005 280 L CA -1.203 53.718 54.840 0.135 0.000 0.819 280 L CB 1.967 44.088 42.059 0.104 0.000 1.311 280 L HN 0.674 nan 8.230 nan 0.000 0.423 281 A N 1.787 124.647 122.820 0.067 0.000 2.337 281 A HA 0.954 5.264 4.320 -0.016 0.000 0.331 281 A C -0.743 176.775 177.584 -0.109 0.000 1.137 281 A CA -0.451 51.594 52.037 0.014 0.000 0.807 281 A CB 1.683 20.719 19.000 0.061 0.000 1.250 281 A HN 0.798 nan 8.150 nan 0.000 0.468 282 A N 0.440 123.126 122.820 -0.223 0.000 2.437 282 A HA 0.720 5.031 4.320 -0.016 0.000 0.293 282 A C -0.371 176.864 177.584 -0.582 0.000 1.038 282 A CA 0.196 51.930 52.037 -0.504 0.000 0.708 282 A CB 1.035 19.584 19.000 -0.751 0.000 1.251 282 A HN 2.238 nan 8.150 nan 0.000 0.409 283 A N 2.522 125.069 122.820 -0.456 0.000 2.280 283 A HA 0.767 5.077 4.320 -0.016 0.000 0.320 283 A C -1.089 176.433 177.584 -0.103 0.000 1.366 283 A CA -0.177 51.742 52.037 -0.197 0.000 0.938 283 A CB -0.337 18.770 19.000 0.178 0.000 1.157 283 A HN 0.661 nan 8.150 nan 0.000 0.536 284 F N 2.114 121.997 119.950 -0.112 0.000 2.546 284 F HA 0.608 5.128 4.527 -0.013 0.000 0.320 284 F C -2.336 173.390 175.800 -0.125 0.000 1.076 284 F CA -2.951 54.981 58.000 -0.112 0.000 0.928 284 F CB 1.285 40.224 39.000 -0.102 0.000 1.189 284 F HN 0.275 nan 8.300 nan 0.000 0.465 285 P HA 0.105 nan 4.420 nan 0.000 0.271 285 P C -0.541 176.875 177.300 0.193 0.000 1.244 285 P CA -0.301 62.898 63.100 0.166 0.000 0.793 285 P CB 0.372 32.118 31.700 0.076 0.000 0.984 286 S N 0.701 116.605 115.700 0.340 0.000 2.558 286 S HA 0.231 4.691 4.470 -0.016 0.000 0.293 286 S C 0.858 175.533 174.600 0.125 0.000 1.292 286 S CA 0.734 59.112 58.200 0.297 0.000 1.063 286 S CB -0.815 62.574 63.200 0.315 0.000 0.831 286 S HN 0.721 nan 8.310 nan 0.000 0.499 287 A N 1.362 124.238 122.820 0.093 0.000 2.783 287 A HA -0.205 4.105 4.320 -0.016 0.000 0.292 287 A C 0.870 178.450 177.584 -0.007 0.000 1.495 287 A CA 0.752 52.806 52.037 0.028 0.000 0.787 287 A CB -2.375 16.622 19.000 -0.006 0.000 1.017 287 A HN 0.905 nan 8.150 nan 0.000 0.516 288 C N -1.470 117.854 119.300 0.040 0.000 3.115 288 C HA 0.598 5.048 4.460 -0.016 0.000 0.277 288 C C 1.892 176.989 174.990 0.178 0.000 1.460 288 C CA 0.216 59.221 59.018 -0.022 0.000 1.789 288 C CB -0.552 27.130 27.740 -0.098 0.000 2.674 288 C HN 2.249 nan 8.230 nan 0.000 0.582 289 G N 1.215 110.174 108.800 0.264 0.000 2.205 289 G HA2 -0.186 3.765 3.960 -0.016 0.000 0.180 289 G HA3 -0.186 3.765 3.960 -0.016 0.000 0.180 289 G C 0.956 176.121 174.900 0.442 0.000 1.004 289 G CA 0.198 45.507 45.100 0.349 0.000 0.670 289 G HN 0.447 nan 8.290 nan 0.000 0.496 290 K N 0.098 120.731 120.400 0.388 0.000 1.991 290 K HA -0.082 4.228 4.320 -0.016 0.000 0.212 290 K C 2.561 179.212 176.600 0.085 0.000 1.049 290 K CA 2.006 58.392 56.287 0.165 0.000 0.932 290 K CB -0.454 32.024 32.500 -0.037 0.000 0.717 290 K HN 0.302 nan 8.250 nan 0.000 0.441 291 T N 1.320 115.899 114.554 0.042 0.000 2.720 291 T HA -0.150 4.191 4.350 -0.016 0.000 0.268 291 T C 1.554 176.254 174.700 0.000 0.000 1.037 291 T CA 1.880 63.958 62.100 -0.037 0.000 1.144 291 T CB -0.445 68.395 68.868 -0.046 0.000 0.864 291 T HN 0.283 nan 8.240 nan 0.000 0.444 292 N N 0.900 119.652 118.700 0.087 0.000 2.036 292 N HA -0.083 4.647 4.740 -0.016 0.000 0.195 292 N C 1.643 177.201 175.510 0.080 0.000 1.037 292 N CA 0.963 54.084 53.050 0.118 0.000 0.855 292 N CB -0.420 38.161 38.487 0.156 0.000 1.033 292 N HN 0.161 nan 8.380 nan 0.000 0.423 293 L N 0.537 121.836 121.223 0.127 0.000 2.056 293 L HA 0.041 4.371 4.340 -0.016 0.000 0.207 293 L C 1.973 178.881 176.870 0.062 0.000 1.078 293 L CA 1.374 56.292 54.840 0.130 0.000 0.749 293 L CB -0.718 41.537 42.059 0.326 0.000 0.901 293 L HN 0.179 nan 8.230 nan 0.000 0.433 294 A N -0.051 122.783 122.820 0.023 0.000 2.019 294 A HA -0.132 4.178 4.320 -0.016 0.000 0.219 294 A C 1.888 179.446 177.584 -0.043 0.000 1.164 294 A CA 1.787 53.813 52.037 -0.018 0.000 0.644 294 A CB -0.635 18.325 19.000 -0.068 0.000 0.805 294 A HN 0.635 nan 8.150 nan 0.000 0.449 295 M N -1.966 117.592 119.600 -0.070 0.000 2.785 295 M HA 0.456 4.927 4.480 -0.016 0.000 0.374 295 M C 0.247 176.531 176.300 -0.027 0.000 1.221 295 M CA -0.385 54.873 55.300 -0.070 0.000 0.912 295 M CB -0.181 32.330 32.600 -0.148 0.000 1.355 295 M HN 0.257 nan 8.290 nan 0.000 0.513 296 M N 2.832 122.430 119.600 -0.003 0.000 2.235 296 M HA -0.022 4.449 4.480 -0.016 0.000 0.336 296 M C -0.473 175.826 176.300 -0.000 0.000 1.146 296 M CA 1.335 56.636 55.300 0.003 0.000 1.018 296 M CB 0.348 32.946 32.600 -0.003 0.000 1.694 296 M HN 0.611 nan 8.290 nan 0.000 0.451 297 N N 6.493 125.190 118.700 -0.006 0.000 2.527 297 N HA 0.404 5.134 4.740 -0.016 0.000 0.236 297 N C -2.603 172.899 175.510 -0.013 0.000 0.999 297 N CA -1.675 51.371 53.050 -0.006 0.000 0.935 297 N CB 0.872 39.350 38.487 -0.015 0.000 1.132 297 N HN 0.409 nan 8.380 nan 0.000 0.511 298 P HA 0.042 nan 4.420 nan 0.000 0.268 298 P C 0.853 178.142 177.300 -0.019 0.000 1.205 298 P CA -0.163 62.927 63.100 -0.017 0.000 0.771 298 P CB 0.920 32.645 31.700 0.041 0.000 0.858 299 T N 0.088 114.607 114.554 -0.058 0.000 2.985 299 T HA 0.047 4.388 4.350 -0.016 0.000 0.266 299 T C 0.880 175.566 174.700 -0.023 0.000 1.076 299 T CA 0.332 62.401 62.100 -0.052 0.000 1.135 299 T CB -0.508 68.306 68.868 -0.091 0.000 0.890 299 T HN 0.162 nan 8.240 nan 0.000 0.480 300 L N 3.838 125.042 121.223 -0.032 0.000 2.462 300 L HA 0.282 4.613 4.340 -0.016 0.000 0.272 300 L C -1.913 175.064 176.870 0.180 0.000 1.166 300 L CA -2.005 52.861 54.840 0.042 0.000 0.880 300 L CB 0.127 42.139 42.059 -0.079 0.000 1.142 300 L HN 0.140 nan 8.230 nan 0.000 0.473 301 P HA 0.044 nan 4.420 nan 0.000 0.268 301 P C 0.691 178.085 177.300 0.156 0.000 1.205 301 P CA 0.410 63.584 63.100 0.124 0.000 0.771 301 P CB 1.143 32.882 31.700 0.066 0.000 0.858 302 G N 0.948 109.782 108.800 0.057 0.000 2.176 302 G HA2 -0.209 3.741 3.960 -0.016 0.000 0.253 302 G HA3 -0.209 3.741 3.960 -0.016 0.000 0.253 302 G C -0.585 174.178 174.900 -0.229 0.000 0.979 302 G CA -0.441 44.602 45.100 -0.094 0.000 0.641 302 G HN 0.439 nan 8.290 nan 0.000 0.530 303 W N 0.625 121.882 121.300 -0.071 0.000 2.551 303 W HA 0.741 5.392 4.660 -0.014 0.000 0.330 303 W C 0.401 176.884 176.519 -0.059 0.000 1.063 303 W CA -0.806 56.488 57.345 -0.084 0.000 1.222 303 W CB 1.416 30.827 29.460 -0.082 0.000 1.349 303 W HN 0.120 nan 8.180 nan 0.000 0.536 304 K N 2.025 122.520 120.400 0.158 0.000 2.482 304 K HA 0.672 4.983 4.320 -0.016 0.000 0.251 304 K C -1.810 174.851 176.600 0.102 0.000 0.936 304 K CA -0.612 55.732 56.287 0.094 0.000 0.791 304 K CB 1.902 34.417 32.500 0.026 0.000 1.213 304 K HN 0.347 nan 8.250 nan 0.000 0.428 305 V N 3.300 123.261 119.914 0.078 0.000 2.581 305 V HA 0.419 4.529 4.120 -0.016 0.000 0.303 305 V C -0.690 175.427 176.094 0.038 0.000 1.041 305 V CA -0.603 61.734 62.300 0.062 0.000 0.907 305 V CB 1.750 33.608 31.823 0.057 0.000 0.994 305 V HN 0.851 nan 8.190 nan 0.000 0.442 306 E N 1.740 121.960 120.200 0.034 0.000 2.288 306 E HA 0.460 4.800 4.350 -0.016 0.000 0.268 306 E C -1.473 175.171 176.600 0.074 0.000 0.885 306 E CA -0.556 55.873 56.400 0.049 0.000 0.767 306 E CB 2.412 32.148 29.700 0.061 0.000 1.220 306 E HN 0.690 nan 8.360 nan 0.000 0.427 307 C N 2.943 122.286 119.300 0.072 0.000 2.303 307 C HA 0.388 4.838 4.460 -0.016 0.000 0.326 307 C C 1.249 176.329 174.990 0.150 0.000 1.285 307 C CA -0.305 58.764 59.018 0.086 0.000 1.675 307 C CB -0.202 27.553 27.740 0.025 0.000 2.289 307 C HN 0.701 nan 8.230 nan 0.000 0.512 308 V N 5.083 125.128 119.914 0.217 0.000 2.672 308 V HA 0.396 4.507 4.120 -0.016 0.000 0.242 308 V C 1.395 177.661 176.094 0.287 0.000 1.059 308 V CA 1.371 63.847 62.300 0.292 0.000 1.081 308 V CB -0.190 31.802 31.823 0.280 0.000 0.752 308 V HN 1.054 nan 8.190 nan 0.000 0.472 309 G N -0.103 108.831 108.800 0.224 0.000 2.698 309 G HA2 0.463 4.413 3.960 -0.016 0.000 0.293 309 G HA3 0.463 4.413 3.960 -0.016 0.000 0.293 309 G C -0.800 174.194 174.900 0.157 0.000 1.437 309 G CA 0.416 45.660 45.100 0.241 0.000 0.852 309 G HN 0.132 nan 8.290 nan 0.000 0.499 310 D N -1.317 119.185 120.400 0.169 0.000 2.433 310 D HA 0.162 4.792 4.640 -0.016 0.000 0.211 310 D C 0.508 176.837 176.300 0.047 0.000 1.114 310 D CA 0.339 54.358 54.000 0.032 0.000 0.837 310 D CB 1.328 42.053 40.800 -0.125 0.000 0.984 310 D HN 0.377 nan 8.370 nan 0.000 0.505 311 D N -0.689 119.768 120.400 0.094 0.000 2.001 311 D HA 0.267 4.898 4.640 -0.016 0.000 0.348 311 D C -0.362 176.025 176.300 0.146 0.000 1.074 311 D CA 0.095 54.164 54.000 0.115 0.000 0.928 311 D CB 1.082 41.972 40.800 0.150 0.000 1.823 311 D HN 0.063 nan 8.370 nan 0.000 0.540 312 I N 1.275 121.903 120.570 0.096 0.000 2.533 312 I HA 0.693 4.853 4.170 -0.016 0.000 0.290 312 I C -1.040 175.114 176.117 0.061 0.000 1.056 312 I CA -1.092 60.258 61.300 0.084 0.000 1.057 312 I CB 2.258 40.260 38.000 0.004 0.000 1.240 312 I HN 0.020 nan 8.210 nan 0.000 0.423 313 A N 5.719 128.641 122.820 0.170 0.000 2.371 313 A HA 0.779 5.089 4.320 -0.016 0.000 0.311 313 A C -1.904 175.947 177.584 0.445 0.000 1.068 313 A CA -0.385 51.774 52.037 0.202 0.000 0.744 313 A CB 1.007 20.133 19.000 0.210 0.000 1.239 313 A HN 0.608 nan 8.150 nan 0.000 0.435 314 W N 2.067 123.459 121.300 0.154 0.000 2.475 314 W HA 0.718 5.368 4.660 -0.017 0.000 0.317 314 W C -0.280 176.319 176.519 0.133 0.000 1.046 314 W CA -1.063 56.415 57.345 0.222 0.000 1.215 314 W CB 1.140 30.689 29.460 0.148 0.000 1.335 314 W HN 0.539 nan 8.180 nan 0.000 0.471 315 M N 3.560 123.387 119.600 0.378 0.000 2.550 315 M HA 0.548 5.018 4.480 -0.016 0.000 0.292 315 M C -0.484 175.880 176.300 0.106 0.000 1.221 315 M CA -0.970 54.416 55.300 0.144 0.000 0.873 315 M CB 3.346 35.986 32.600 0.066 0.000 1.727 315 M HN 0.346 nan 8.290 nan 0.000 0.459 316 K N 0.736 121.111 120.400 -0.041 0.000 2.568 316 K HA 0.573 4.884 4.320 -0.016 0.000 0.273 316 K C -1.897 174.604 176.600 -0.164 0.000 0.951 316 K CA -0.765 55.502 56.287 -0.035 0.000 0.854 316 K CB 1.491 34.028 32.500 0.062 0.000 1.424 316 K HN 0.405 nan 8.250 nan 0.000 0.427 317 F N 2.776 122.708 119.950 -0.030 0.000 2.495 317 F HA 0.100 4.618 4.527 -0.016 0.000 0.365 317 F C 0.886 176.662 175.800 -0.040 0.000 1.090 317 F CA 0.466 58.435 58.000 -0.053 0.000 1.235 317 F CB 0.595 39.540 39.000 -0.091 0.000 1.119 317 F HN 0.703 nan 8.300 nan 0.000 0.562 318 D N 2.031 122.484 120.400 0.088 0.000 2.478 318 D HA 0.329 4.959 4.640 -0.016 0.000 0.269 318 D C 0.895 177.227 176.300 0.053 0.000 1.232 318 D CA -0.452 53.573 54.000 0.042 0.000 1.059 318 D CB 0.343 41.145 40.800 0.003 0.000 1.104 318 D HN 0.445 nan 8.370 nan 0.000 0.566 319 A N -0.955 121.879 122.820 0.023 0.000 2.172 319 A HA -0.139 4.172 4.320 -0.016 0.000 0.216 319 A C 1.653 179.246 177.584 0.014 0.000 1.154 319 A CA 0.927 52.974 52.037 0.015 0.000 0.701 319 A CB -0.525 18.477 19.000 0.003 0.000 0.789 319 A HN 0.436 nan 8.150 nan 0.000 0.465 320 Q N -1.551 118.261 119.800 0.020 0.000 2.392 320 Q HA 0.190 4.521 4.340 -0.016 0.000 0.203 320 Q C 1.236 177.255 176.000 0.032 0.000 0.917 320 Q CA 0.778 56.591 55.803 0.017 0.000 0.939 320 Q CB 0.185 28.931 28.738 0.014 0.000 1.063 320 Q HN 0.966 nan 8.270 nan 0.000 0.516 321 G N 1.405 110.243 108.800 0.064 0.000 2.175 321 G HA2 -0.203 3.748 3.960 -0.016 0.000 0.244 321 G HA3 -0.203 3.748 3.960 -0.016 0.000 0.244 321 G C 0.059 175.094 174.900 0.224 0.000 0.982 321 G CA -0.186 44.980 45.100 0.109 0.000 0.641 321 G HN 0.285 nan 8.290 nan 0.000 0.527 322 N N 0.174 118.952 118.700 0.131 0.000 2.529 322 N HA 0.399 5.129 4.740 -0.016 0.000 0.278 322 N C -0.178 175.307 175.510 -0.042 0.000 1.146 322 N CA -0.324 52.770 53.050 0.074 0.000 0.980 322 N CB 1.846 40.342 38.487 0.015 0.000 1.124 322 N HN 0.263 nan 8.380 nan 0.000 0.458 323 L N 3.098 124.176 121.223 -0.242 0.000 2.295 323 L HA 0.223 4.554 4.340 -0.016 0.000 0.288 323 L C 0.056 176.747 176.870 -0.297 0.000 1.079 323 L CA 0.008 54.466 54.840 -0.638 0.000 0.830 323 L CB -0.107 41.460 42.059 -0.820 0.000 1.200 323 L HN 0.294 nan 8.230 nan 0.000 0.438 324 R N 4.511 124.873 120.500 -0.231 0.000 2.460 324 R HA 0.808 5.139 4.340 -0.016 0.000 0.303 324 R C -0.816 175.423 176.300 -0.100 0.000 0.968 324 R CA -0.650 55.366 56.100 -0.139 0.000 0.889 324 R CB 1.704 31.939 30.300 -0.108 0.000 1.123 324 R HN 0.744 nan 8.270 nan 0.000 0.455 325 A N 4.247 127.019 122.820 -0.079 0.000 2.365 325 A HA 0.714 5.024 4.320 -0.016 0.000 0.318 325 A C -0.225 177.350 177.584 -0.015 0.000 1.091 325 A CA -0.868 51.163 52.037 -0.009 0.000 0.763 325 A CB 1.062 20.073 19.000 0.018 0.000 1.248 325 A HN 0.793 nan 8.150 nan 0.000 0.442 326 I N -0.638 119.956 120.570 0.040 0.000 2.785 326 I HA 0.608 4.768 4.170 -0.016 0.000 0.302 326 I C -0.831 175.282 176.117 -0.008 0.000 1.069 326 I CA -1.005 60.297 61.300 0.003 0.000 1.045 326 I CB 2.309 40.297 38.000 -0.020 0.000 1.236 326 I HN 0.566 nan 8.210 nan 0.000 0.429 327 N N 6.085 124.776 118.700 -0.015 0.000 2.426 327 N HA 0.407 5.137 4.740 -0.016 0.000 0.257 327 N C -1.826 173.574 175.510 -0.185 0.000 1.002 327 N CA -2.392 50.635 53.050 -0.039 0.000 0.942 327 N CB 1.290 39.863 38.487 0.143 0.000 1.112 327 N HN 0.450 nan 8.380 nan 0.000 0.499 328 P HA 0.023 nan 4.420 nan 0.000 0.236 328 P C -0.525 176.597 177.300 -0.296 0.000 1.177 328 P CA 0.674 63.391 63.100 -0.638 0.000 0.773 328 P CB 0.557 31.318 31.700 -1.566 0.000 0.878 329 E N 0.031 120.144 120.200 -0.146 0.000 2.280 329 E HA 0.172 4.512 4.350 -0.016 0.000 0.261 329 E C 0.237 176.883 176.600 0.077 0.000 1.088 329 E CA -0.444 55.936 56.400 -0.033 0.000 0.915 329 E CB 0.428 30.124 29.700 -0.007 0.000 1.141 329 E HN -0.133 nan 8.360 nan 0.000 0.433 330 N N -0.824 117.908 118.700 0.052 0.000 2.171 330 N HA 0.165 4.896 4.740 -0.016 0.000 0.212 330 N C -0.655 174.826 175.510 -0.049 0.000 1.184 330 N CA 0.067 53.189 53.050 0.121 0.000 0.888 330 N CB 1.197 39.716 38.487 0.053 0.000 1.038 330 N HN 0.500 nan 8.380 nan 0.000 0.517 331 G N -1.092 107.608 108.800 -0.166 0.000 2.663 331 G HA2 0.491 4.442 3.960 -0.016 0.000 0.299 331 G HA3 0.491 4.442 3.960 -0.016 0.000 0.299 331 G C -1.838 172.886 174.900 -0.293 0.000 1.372 331 G CA -0.585 44.301 45.100 -0.357 0.000 0.781 331 G HN -0.021 nan 8.290 nan 0.000 0.491 332 F N 0.039 120.032 119.950 0.072 0.000 2.467 332 F HA 0.574 5.092 4.527 -0.015 0.000 0.336 332 F C -0.631 175.264 175.800 0.158 0.000 1.123 332 F CA -1.595 56.477 58.000 0.120 0.000 0.964 332 F CB 2.066 41.180 39.000 0.190 0.000 1.136 332 F HN 0.279 nan 8.300 nan 0.000 0.447 333 F N 3.165 123.160 119.950 0.075 0.000 2.319 333 F HA 0.698 5.217 4.527 -0.015 0.000 0.356 333 F C 0.256 175.870 175.800 -0.309 0.000 1.100 333 F CA -1.091 56.840 58.000 -0.116 0.000 1.220 333 F CB 0.084 39.035 39.000 -0.082 0.000 1.506 333 F HN 0.473 nan 8.300 nan 0.000 0.512 334 G N 2.903 111.108 108.800 -0.992 0.000 2.389 334 G HA2 0.471 4.421 3.960 -0.016 0.000 0.317 334 G HA3 0.471 4.421 3.960 -0.016 0.000 0.317 334 G C -0.953 173.157 174.900 -1.316 0.000 1.137 334 G CA -0.691 43.651 45.100 -1.264 0.000 0.870 334 G HN 0.279 nan 8.290 nan 0.000 0.496 335 V N 1.805 121.295 119.914 -0.706 0.000 2.540 335 V HA 0.204 4.314 4.120 -0.016 0.000 0.297 335 V C 1.483 177.268 176.094 -0.515 0.000 1.024 335 V CA 0.759 62.755 62.300 -0.507 0.000 1.105 335 V CB 0.683 32.350 31.823 -0.261 0.000 0.938 335 V HN 0.983 nan 8.190 nan 0.000 0.482 336 A N 7.683 130.170 122.820 -0.554 0.000 1.855 336 A HA 0.188 4.498 4.320 -0.016 0.000 0.213 336 A C -1.324 175.618 177.584 -1.069 0.000 1.195 336 A CA 0.521 52.056 52.037 -0.837 0.000 0.610 336 A CB -1.023 17.413 19.000 -0.939 0.000 0.837 336 A HN 0.718 nan 8.150 nan 0.000 0.444 337 P HA 0.273 nan 4.420 nan 0.000 0.266 337 P C 0.835 178.039 177.300 -0.161 0.000 1.195 337 P CA 1.910 64.803 63.100 -0.344 0.000 0.768 337 P CB 0.593 32.210 31.700 -0.139 0.000 0.838 338 G N 1.509 110.333 108.800 0.039 0.000 2.241 338 G HA2 -0.216 3.734 3.960 -0.016 0.000 0.244 338 G HA3 -0.216 3.734 3.960 -0.016 0.000 0.244 338 G C 0.267 175.206 174.900 0.065 0.000 0.998 338 G CA 0.008 45.150 45.100 0.071 0.000 0.621 338 G HN 0.587 nan 8.290 nan 0.000 0.519 339 T N 1.983 116.593 114.554 0.092 0.000 2.814 339 T HA 0.570 4.910 4.350 -0.016 0.000 0.297 339 T C 0.403 175.285 174.700 0.303 0.000 0.956 339 T CA 0.885 63.087 62.100 0.170 0.000 1.123 339 T CB 1.303 70.256 68.868 0.142 0.000 0.902 339 T HN 1.505 nan 8.240 nan 0.000 0.528 340 S N 1.511 117.260 115.700 0.081 0.000 2.656 340 S HA 0.378 4.839 4.470 -0.016 0.000 0.273 340 S C 0.897 175.471 174.600 -0.045 0.000 1.168 340 S CA -0.867 57.343 58.200 0.017 0.000 0.817 340 S CB 0.825 63.991 63.200 -0.056 0.000 1.146 340 S HN 0.191 nan 8.310 nan 0.000 0.475 341 V N 1.861 121.742 119.914 -0.055 0.000 2.568 341 V HA -0.170 3.941 4.120 -0.016 0.000 0.253 341 V C 2.553 178.595 176.094 -0.088 0.000 1.072 341 V CA 2.491 64.754 62.300 -0.061 0.000 1.084 341 V CB -1.249 30.543 31.823 -0.052 0.000 0.676 341 V HN 0.971 nan 8.190 nan 0.000 0.469 342 K N 0.900 121.225 120.400 -0.125 0.000 2.137 342 K HA -0.093 4.218 4.320 -0.016 0.000 0.202 342 K C 1.987 178.440 176.600 -0.245 0.000 1.052 342 K CA 1.580 57.769 56.287 -0.164 0.000 0.961 342 K CB -0.369 32.028 32.500 -0.172 0.000 0.741 342 K HN 0.531 nan 8.250 nan 0.000 0.452 343 T N -2.435 111.911 114.554 -0.347 0.000 3.031 343 T HA 0.070 4.410 4.350 -0.016 0.000 0.254 343 T C 0.803 175.393 174.700 -0.185 0.000 1.060 343 T CA 0.231 61.978 62.100 -0.588 0.000 1.135 343 T CB -0.005 68.210 68.868 -1.089 0.000 0.896 343 T HN 0.176 nan 8.240 nan 0.000 0.472 344 N N 1.547 120.186 118.700 -0.101 0.000 2.700 344 N HA 0.286 5.016 4.740 -0.016 0.000 0.242 344 N C -2.506 172.983 175.510 -0.034 0.000 1.541 344 N CA -1.796 51.242 53.050 -0.019 0.000 0.764 344 N CB 1.522 40.029 38.487 0.033 0.000 1.319 344 N HN 0.035 nan 8.380 nan 0.000 0.518 345 P HA -0.051 nan 4.420 nan 0.000 0.220 345 P C 0.761 178.037 177.300 -0.040 0.000 1.148 345 P CA 0.890 63.965 63.100 -0.041 0.000 0.803 345 P CB 0.590 32.267 31.700 -0.040 0.000 0.782 346 N N 0.374 119.051 118.700 -0.039 0.000 2.188 346 N HA -0.081 4.649 4.740 -0.016 0.000 0.184 346 N C 1.912 177.383 175.510 -0.064 0.000 1.018 346 N CA 1.397 54.422 53.050 -0.042 0.000 0.858 346 N CB -0.765 37.701 38.487 -0.035 0.000 0.989 346 N HN 0.104 nan 8.380 nan 0.000 0.426 347 A N 1.853 124.620 122.820 -0.088 0.000 1.877 347 A HA -0.084 4.226 4.320 -0.016 0.000 0.216 347 A C 2.156 179.620 177.584 -0.201 0.000 1.186 347 A CA 0.834 52.767 52.037 -0.173 0.000 0.620 347 A CB -0.468 18.430 19.000 -0.169 0.000 0.822 347 A HN 0.099 nan 8.150 nan 0.000 0.443 348 I N 0.174 120.680 120.570 -0.106 0.000 2.194 348 I HA -0.268 3.892 4.170 -0.016 0.000 0.246 348 I C 2.217 178.286 176.117 -0.080 0.000 1.093 348 I CA 1.844 63.103 61.300 -0.067 0.000 1.355 348 I CB -1.123 36.861 38.000 -0.028 0.000 1.046 348 I HN 0.417 nan 8.210 nan 0.000 0.413 349 K N -0.030 120.330 120.400 -0.066 0.000 2.097 349 K HA -0.092 4.219 4.320 -0.016 0.000 0.205 349 K C 2.006 178.572 176.600 -0.057 0.000 1.050 349 K CA 1.579 57.837 56.287 -0.049 0.000 0.938 349 K CB -0.255 32.227 32.500 -0.030 0.000 0.718 349 K HN 0.296 nan 8.250 nan 0.000 0.442 350 T N 2.185 116.694 114.554 -0.075 0.000 2.821 350 T HA -0.059 4.281 4.350 -0.016 0.000 0.267 350 T C 1.777 176.418 174.700 -0.099 0.000 1.046 350 T CA 1.144 63.206 62.100 -0.062 0.000 1.139 350 T CB -0.161 68.695 68.868 -0.020 0.000 0.871 350 T HN 0.386 nan 8.240 nan 0.000 0.454 351 I N -0.966 119.503 120.570 -0.168 0.000 3.812 351 I HA 0.266 4.426 4.170 -0.016 0.000 0.320 351 I C 1.627 177.704 176.117 -0.067 0.000 1.276 351 I CA 0.302 61.496 61.300 -0.177 0.000 1.164 351 I CB -0.357 37.452 38.000 -0.319 0.000 1.009 351 I HN 0.080 nan 8.210 nan 0.000 0.431 352 Q N 2.457 122.200 119.800 -0.095 0.000 2.444 352 Q HA 0.111 4.442 4.340 -0.016 0.000 0.206 352 Q C -0.061 175.939 176.000 0.000 0.000 0.948 352 Q CA 0.458 56.178 55.803 -0.138 0.000 0.946 352 Q CB 0.333 29.014 28.738 -0.095 0.000 1.027 352 Q HN 0.666 nan 8.270 nan 0.000 0.513 353 K N -1.379 119.042 120.400 0.035 0.000 2.532 353 K HA 0.305 4.615 4.320 -0.016 0.000 0.265 353 K C -0.715 175.947 176.600 0.105 0.000 0.948 353 K CA -0.892 55.451 56.287 0.092 0.000 0.842 353 K CB 1.078 33.627 32.500 0.083 0.000 1.392 353 K HN -0.212 nan 8.250 nan 0.000 0.436 354 N N -0.086 118.716 118.700 0.169 0.000 2.725 354 N HA -0.132 4.599 4.740 -0.016 0.000 0.249 354 N C -1.264 174.364 175.510 0.196 0.000 1.103 354 N CA 1.519 54.701 53.050 0.220 0.000 0.707 354 N CB -1.367 37.221 38.487 0.167 0.000 1.043 354 N HN 0.782 nan 8.380 nan 0.000 0.553 355 T N 0.716 115.381 114.554 0.184 0.000 2.841 355 T HA 0.677 5.018 4.350 -0.016 0.000 0.283 355 T C 0.664 175.431 174.700 0.113 0.000 1.000 355 T CA -0.487 61.634 62.100 0.035 0.000 0.977 355 T CB 1.927 70.681 68.868 -0.191 0.000 0.979 355 T HN 0.057 nan 8.240 nan 0.000 0.446 356 I N 3.064 123.663 120.570 0.047 0.000 2.354 356 I HA 0.469 4.629 4.170 -0.016 0.000 0.292 356 I C -0.921 175.228 176.117 0.052 0.000 0.989 356 I CA -0.698 60.713 61.300 0.185 0.000 1.188 356 I CB 1.048 39.146 38.000 0.164 0.000 1.342 356 I HN 0.493 nan 8.210 nan 0.000 0.457 357 F N 3.104 123.245 119.950 0.320 0.000 2.480 357 F HA 0.508 5.025 4.527 -0.017 0.000 0.329 357 F C 0.343 176.311 175.800 0.280 0.000 1.091 357 F CA -0.497 57.676 58.000 0.289 0.000 0.972 357 F CB 2.162 41.349 39.000 0.312 0.000 1.150 357 F HN 0.243 nan 8.300 nan 0.000 0.467 358 T N 2.818 117.600 114.554 0.381 0.000 2.841 358 T HA 0.261 4.601 4.350 -0.016 0.000 0.285 358 T C -0.342 174.477 174.700 0.199 0.000 0.991 358 T CA -0.806 61.461 62.100 0.278 0.000 0.966 358 T CB 0.950 69.949 68.868 0.219 0.000 0.962 358 T HN 0.616 nan 8.240 nan 0.000 0.438 359 N N 0.194 119.013 118.700 0.198 0.000 2.776 359 N HA -0.138 4.592 4.740 -0.016 0.000 0.250 359 N C 0.108 175.733 175.510 0.192 0.000 1.112 359 N CA 1.090 54.256 53.050 0.192 0.000 0.733 359 N CB -1.826 36.631 38.487 -0.049 0.000 1.097 359 N HN 0.684 nan 8.380 nan 0.000 0.558 360 V N -3.134 116.938 119.914 0.264 0.000 3.134 360 V HA 0.919 5.029 4.120 -0.016 0.000 0.313 360 V C 0.976 177.224 176.094 0.257 0.000 1.069 360 V CA -0.492 61.981 62.300 0.287 0.000 1.048 360 V CB 1.637 33.718 31.823 0.429 0.000 1.119 360 V HN 0.277 nan 8.190 nan 0.000 0.461 361 A N 0.998 123.937 122.820 0.198 0.000 2.287 361 A HA 0.627 4.937 4.320 -0.016 0.000 0.273 361 A C 0.036 177.670 177.584 0.083 0.000 1.091 361 A CA -0.415 51.689 52.037 0.111 0.000 0.817 361 A CB 0.528 19.532 19.000 0.007 0.000 1.069 361 A HN 1.067 nan 8.150 nan 0.000 0.492 362 E N 0.107 120.335 120.200 0.046 0.000 2.210 362 E HA 0.467 4.807 4.350 -0.016 0.000 0.266 362 E C -0.391 176.190 176.600 -0.031 0.000 0.883 362 E CA -0.560 55.846 56.400 0.010 0.000 0.761 362 E CB 1.329 31.043 29.700 0.025 0.000 1.156 362 E HN 0.784 nan 8.360 nan 0.000 0.412 363 T N 0.649 115.159 114.554 -0.072 0.000 2.899 363 T HA 0.117 4.457 4.350 -0.016 0.000 0.284 363 T C 1.325 175.969 174.700 -0.094 0.000 1.004 363 T CA -0.082 61.949 62.100 -0.115 0.000 1.043 363 T CB 1.470 70.242 68.868 -0.159 0.000 1.013 363 T HN 0.450 nan 8.240 nan 0.000 0.518 364 S N 0.192 115.839 115.700 -0.089 0.000 2.469 364 S HA -0.132 4.328 4.470 -0.016 0.000 0.238 364 S C 1.146 175.695 174.600 -0.086 0.000 0.998 364 S CA 0.834 58.991 58.200 -0.072 0.000 0.957 364 S CB -0.647 62.517 63.200 -0.060 0.000 0.764 364 S HN 0.906 nan 8.310 nan 0.000 0.514 365 D N 0.387 120.721 120.400 -0.109 0.000 2.325 365 D HA 0.261 4.892 4.640 -0.016 0.000 0.225 365 D C 1.191 177.386 176.300 -0.175 0.000 1.096 365 D CA 0.341 54.265 54.000 -0.126 0.000 0.844 365 D CB -0.623 40.104 40.800 -0.122 0.000 0.925 365 D HN 0.552 nan 8.370 nan 0.000 0.513 366 G N -0.803 107.896 108.800 -0.168 0.000 2.149 366 G HA2 -0.092 3.858 3.960 -0.016 0.000 0.235 366 G HA3 -0.092 3.858 3.960 -0.016 0.000 0.235 366 G C 0.486 175.191 174.900 -0.325 0.000 1.018 366 G CA -0.107 44.869 45.100 -0.208 0.000 0.728 366 G HN 0.798 nan 8.290 nan 0.000 0.508 367 G N -1.608 107.026 108.800 -0.277 0.000 2.705 367 G HA2 0.924 4.874 3.960 -0.016 0.000 0.299 367 G HA3 0.924 4.874 3.960 -0.016 0.000 0.299 367 G C 0.166 175.038 174.900 -0.047 0.000 1.315 367 G CA 0.121 45.070 45.100 -0.252 0.000 1.045 367 G HN 1.526 nan 8.290 nan 0.000 0.517 368 V N -2.922 117.008 119.914 0.027 0.000 2.850 368 V HA 0.848 4.958 4.120 -0.016 0.000 0.315 368 V C -1.132 174.848 176.094 -0.190 0.000 1.064 368 V CA -1.157 61.055 62.300 -0.147 0.000 0.979 368 V CB 1.580 33.143 31.823 -0.434 0.000 1.039 368 V HN 0.675 nan 8.190 nan 0.000 0.452 369 Y N 2.307 122.387 120.300 -0.366 0.000 2.544 369 Y HA 0.776 5.316 4.550 -0.016 0.000 0.342 369 Y C -1.242 174.524 175.900 -0.222 0.000 1.062 369 Y CA -0.922 56.898 58.100 -0.468 0.000 1.023 369 Y CB 2.205 40.505 38.460 -0.267 0.000 1.308 369 Y HN 1.091 nan 8.280 nan 0.000 0.457 370 W N 1.127 122.242 121.300 -0.310 0.000 3.066 370 W HA 0.645 5.294 4.660 -0.017 0.000 0.330 370 W C -1.405 174.948 176.519 -0.276 0.000 1.253 370 W CA -1.141 56.072 57.345 -0.220 0.000 1.187 370 W CB 0.240 29.626 29.460 -0.123 0.000 1.434 370 W HN 0.323 nan 8.180 nan 0.000 0.572 371 E N 0.951 121.245 120.200 0.156 0.000 2.529 371 E HA 0.377 4.717 4.350 -0.016 0.000 0.259 371 E C 1.176 177.889 176.600 0.189 0.000 0.966 371 E CA 2.335 58.803 56.400 0.115 0.000 0.937 371 E CB 0.232 29.991 29.700 0.099 0.000 0.923 371 E HN 1.129 nan 8.360 nan 0.000 0.468 372 G N 3.000 111.849 108.800 0.082 0.000 2.179 372 G HA2 -0.352 3.599 3.960 -0.016 0.000 0.260 372 G HA3 -0.352 3.599 3.960 -0.016 0.000 0.260 372 G C 0.924 175.851 174.900 0.045 0.000 0.977 372 G CA 0.334 45.479 45.100 0.075 0.000 0.641 372 G HN 0.620 nan 8.290 nan 0.000 0.533 373 I N 0.185 120.686 120.570 -0.113 0.000 2.454 373 I HA 0.011 4.172 4.170 -0.016 0.000 0.254 373 I C 1.374 177.350 176.117 -0.234 0.000 1.156 373 I CA 1.699 62.808 61.300 -0.319 0.000 1.433 373 I CB -0.008 37.355 38.000 -1.061 0.000 1.082 373 I HN 0.255 nan 8.210 nan 0.000 0.432 374 D N 2.276 122.562 120.400 -0.190 0.000 2.723 374 D HA -0.219 4.412 4.640 -0.016 0.000 0.236 374 D C -0.533 175.717 176.300 -0.084 0.000 1.138 374 D CA 0.795 54.735 54.000 -0.100 0.000 0.676 374 D CB -0.927 39.825 40.800 -0.081 0.000 1.069 374 D HN 0.608 nan 8.370 nan 0.000 0.430 375 E N 0.326 120.474 120.200 -0.086 0.000 2.255 375 E HA 0.381 4.722 4.350 -0.016 0.000 0.256 375 E C -2.357 174.304 176.600 0.101 0.000 0.887 375 E CA -1.753 54.640 56.400 -0.012 0.000 0.782 375 E CB 1.626 31.308 29.700 -0.030 0.000 1.214 375 E HN 0.094 nan 8.360 nan 0.000 0.417 376 P HA 0.111 nan 4.420 nan 0.000 0.272 376 P C -0.552 176.788 177.300 0.068 0.000 1.223 376 P CA -0.108 63.047 63.100 0.091 0.000 0.784 376 P CB 0.703 32.428 31.700 0.041 0.000 0.923 377 L N 1.004 122.242 121.223 0.026 0.000 2.360 377 L HA 0.590 4.921 4.340 -0.016 0.000 0.271 377 L C 0.805 177.651 176.870 -0.039 0.000 1.057 377 L CA -1.276 53.538 54.840 -0.042 0.000 0.803 377 L CB 0.978 42.945 42.059 -0.153 0.000 1.207 377 L HN 0.380 nan 8.230 nan 0.000 0.445 378 A N 2.561 125.355 122.820 -0.044 0.000 2.483 378 A HA 0.370 4.680 4.320 -0.016 0.000 0.238 378 A C -2.231 175.327 177.584 -0.044 0.000 1.070 378 A CA -0.916 51.099 52.037 -0.038 0.000 0.770 378 A CB -0.714 18.262 19.000 -0.039 0.000 1.008 378 A HN 0.466 nan 8.150 nan 0.000 0.497 379 P HA 0.232 nan 4.420 nan 0.000 0.261 379 P C 1.071 178.348 177.300 -0.040 0.000 1.173 379 P CA 1.871 64.950 63.100 -0.036 0.000 0.760 379 P CB 0.507 32.190 31.700 -0.028 0.000 0.783 380 G N 1.216 109.991 108.800 -0.043 0.000 2.258 380 G HA2 -0.220 3.730 3.960 -0.016 0.000 0.233 380 G HA3 -0.220 3.730 3.960 -0.016 0.000 0.233 380 G C 0.082 174.951 174.900 -0.053 0.000 1.006 380 G CA -0.153 44.921 45.100 -0.043 0.000 0.620 380 G HN 0.550 nan 8.290 nan 0.000 0.511 381 V N 3.106 122.980 119.914 -0.065 0.000 2.555 381 V HA 0.559 4.669 4.120 -0.016 0.000 0.286 381 V C 1.091 177.131 176.094 -0.089 0.000 1.044 381 V CA 0.668 62.918 62.300 -0.083 0.000 1.026 381 V CB 1.010 32.770 31.823 -0.105 0.000 0.981 381 V HN 0.783 nan 8.190 nan 0.000 0.480 382 T N 3.369 117.877 114.554 -0.076 0.000 2.938 382 T HA 0.833 5.173 4.350 -0.016 0.000 0.285 382 T C -0.588 174.078 174.700 -0.055 0.000 1.028 382 T CA -0.801 61.267 62.100 -0.053 0.000 1.005 382 T CB 1.909 70.760 68.868 -0.028 0.000 1.157 382 T HN 0.321 nan 8.240 nan 0.000 0.550 383 I N 0.594 121.170 120.570 0.009 0.000 2.582 383 I HA 0.379 4.539 4.170 -0.016 0.000 0.292 383 I C -0.542 175.638 176.117 0.104 0.000 1.066 383 I CA -0.866 60.455 61.300 0.036 0.000 1.053 383 I CB 2.684 40.752 38.000 0.112 0.000 1.241 383 I HN 0.657 nan 8.210 nan 0.000 0.421 384 T N 3.780 118.371 114.554 0.063 0.000 2.758 384 T HA 0.301 4.641 4.350 -0.016 0.000 0.285 384 T C 0.248 174.984 174.700 0.061 0.000 0.981 384 T CA -0.580 61.563 62.100 0.072 0.000 0.965 384 T CB 1.232 70.125 68.868 0.041 0.000 0.927 384 T HN 0.752 nan 8.240 nan 0.000 0.448 385 S N 3.701 119.442 115.700 0.069 0.000 2.606 385 S HA 0.102 4.563 4.470 -0.016 0.000 0.257 385 S C 1.516 176.142 174.600 0.044 0.000 1.327 385 S CA -0.837 57.359 58.200 -0.007 0.000 0.984 385 S CB 0.308 63.492 63.200 -0.027 0.000 0.941 385 S HN 0.917 nan 8.310 nan 0.000 0.576 386 W N 0.238 121.519 121.300 -0.031 0.000 2.721 386 W HA 0.141 4.791 4.660 -0.017 0.000 0.245 386 W C 0.458 176.987 176.519 0.016 0.000 1.276 386 W CA 0.296 57.648 57.345 0.011 0.000 1.342 386 W CB -0.811 28.667 29.460 0.030 0.000 1.135 386 W HN 0.626 nan 8.180 nan 0.000 0.654 387 K N 1.219 121.188 120.400 -0.718 0.000 2.417 387 K HA -0.067 4.243 4.320 -0.016 0.000 0.196 387 K C 0.303 176.727 176.600 -0.293 0.000 1.023 387 K CA 0.229 56.084 56.287 -0.721 0.000 1.122 387 K CB -0.482 31.563 32.500 -0.758 0.000 0.850 387 K HN -0.063 nan 8.250 nan 0.000 0.521 388 N N 1.834 120.445 118.700 -0.149 0.000 2.740 388 N HA -0.159 4.572 4.740 -0.016 0.000 0.248 388 N C -1.486 174.000 175.510 -0.040 0.000 1.062 388 N CA 0.819 53.837 53.050 -0.054 0.000 0.704 388 N CB -0.468 37.999 38.487 -0.033 0.000 0.968 388 N HN 0.052 nan 8.380 nan 0.000 0.547 389 K N 0.341 120.725 120.400 -0.027 0.000 2.426 389 K HA 0.295 4.606 4.320 -0.016 0.000 0.251 389 K C -0.341 176.303 176.600 0.072 0.000 0.941 389 K CA -0.784 55.508 56.287 0.010 0.000 0.808 389 K CB 1.234 33.732 32.500 -0.003 0.000 1.265 389 K HN 0.094 nan 8.250 nan 0.000 0.432 390 E N 0.945 121.185 120.200 0.067 0.000 2.414 390 E HA 0.014 4.354 4.350 -0.016 0.000 0.263 390 E C -0.655 176.046 176.600 0.169 0.000 1.000 390 E CA 0.317 56.774 56.400 0.096 0.000 0.914 390 E CB 0.525 30.251 29.700 0.042 0.000 0.948 390 E HN 0.423 nan 8.360 nan 0.000 0.444 391 W N 3.030 124.323 121.300 -0.013 0.000 3.022 391 W HA 0.365 5.012 4.660 -0.021 0.000 0.335 391 W C -0.678 175.838 176.519 -0.004 0.000 1.133 391 W CA -0.553 56.795 57.345 0.004 0.000 1.219 391 W CB 1.189 30.670 29.460 0.035 0.000 1.409 391 W HN 0.317 nan 8.180 nan 0.000 0.507 392 R N 4.918 124.974 120.500 -0.740 0.000 2.750 392 R HA 0.328 4.659 4.340 -0.016 0.000 0.281 392 R C -1.936 173.520 176.300 -1.407 0.000 0.972 392 R CA -1.775 53.877 56.100 -0.748 0.000 0.912 392 R CB 1.917 31.980 30.300 -0.394 0.000 1.187 392 R HN 0.185 nan 8.270 nan 0.000 0.464 393 P HA -0.180 nan 4.420 nan 0.000 0.221 393 P C 0.666 177.727 177.300 -0.399 0.000 1.141 393 P CA 1.215 63.991 63.100 -0.539 0.000 0.794 393 P CB 0.375 32.016 31.700 -0.098 0.000 0.764 394 Q N -1.081 118.478 119.800 -0.401 0.000 2.360 394 Q HA 0.054 4.385 4.340 -0.016 0.000 0.202 394 Q C 0.058 175.919 176.000 -0.232 0.000 0.915 394 Q CA 0.363 56.025 55.803 -0.235 0.000 0.943 394 Q CB -0.587 28.049 28.738 -0.170 0.000 1.064 394 Q HN 0.268 nan 8.270 nan 0.000 0.511 395 D N -0.360 119.808 120.400 -0.387 0.000 2.358 395 D HA -0.040 4.591 4.640 -0.016 0.000 0.244 395 D C 0.811 177.084 176.300 -0.046 0.000 1.163 395 D CA -0.058 53.793 54.000 -0.248 0.000 0.945 395 D CB 0.628 41.192 40.800 -0.392 0.000 1.152 395 D HN 0.070 nan 8.370 nan 0.000 0.451 396 E N -0.344 119.866 120.200 0.016 0.000 2.153 396 E HA -0.127 4.213 4.350 -0.016 0.000 0.194 396 E C -0.179 176.506 176.600 0.142 0.000 0.988 396 E CA 0.923 57.362 56.400 0.066 0.000 0.811 396 E CB 0.390 30.123 29.700 0.055 0.000 0.746 396 E HN 0.351 nan 8.360 nan 0.000 0.466 397 E N 0.598 120.942 120.200 0.240 0.000 2.263 397 E HA 0.325 4.666 4.350 -0.016 0.000 0.264 397 E C -2.418 174.474 176.600 0.486 0.000 0.923 397 E CA -2.266 54.319 56.400 0.309 0.000 0.802 397 E CB 1.456 31.330 29.700 0.289 0.000 1.228 397 E HN 0.069 nan 8.360 nan 0.000 0.417 398 P HA 0.032 nan 4.420 nan 0.000 0.274 398 P C 1.042 178.355 177.300 0.022 0.000 1.231 398 P CA -0.170 63.066 63.100 0.227 0.000 0.790 398 P CB 0.678 32.429 31.700 0.085 0.000 0.951 399 C N 0.440 119.407 119.300 -0.555 0.000 2.446 399 C HA 0.399 4.850 4.460 -0.016 0.000 0.279 399 C C 1.113 176.031 174.990 -0.120 0.000 1.366 399 C CA 0.398 58.827 59.018 -0.982 0.000 1.763 399 C CB -1.391 25.370 27.740 -1.631 0.000 1.929 399 C HN 0.627 nan 8.230 nan 0.000 0.509 400 A N -0.001 122.795 122.820 -0.040 0.000 2.374 400 A HA 0.565 4.875 4.320 -0.016 0.000 0.317 400 A C -0.327 177.050 177.584 -0.346 0.000 1.094 400 A CA -0.372 51.649 52.037 -0.026 0.000 0.765 400 A CB 0.109 19.154 19.000 0.074 0.000 1.268 400 A HN 0.585 nan 8.150 nan 0.000 0.438 401 H N 2.057 120.534 119.070 -0.989 0.000 2.972 401 H HA 0.053 4.602 4.556 -0.012 0.000 0.343 401 H C -1.716 173.315 175.328 -0.495 0.000 1.054 401 H CA -0.507 54.889 56.048 -1.087 0.000 1.412 401 H CB 1.170 30.018 29.762 -1.523 0.000 1.385 401 H HN 0.269 nan 8.280 nan 0.000 0.600 402 P HA -0.088 nan 4.420 nan 0.000 0.222 402 P C 0.644 177.803 177.300 -0.234 0.000 1.147 402 P CA 1.224 64.068 63.100 -0.427 0.000 0.790 402 P CB 0.284 31.736 31.700 -0.413 0.000 0.780 403 N N -0.935 117.736 118.700 -0.049 0.000 2.273 403 N HA 0.021 4.751 4.740 -0.016 0.000 0.231 403 N C -0.396 175.107 175.510 -0.011 0.000 1.134 403 N CA -0.187 52.871 53.050 0.014 0.000 0.856 403 N CB -0.204 38.307 38.487 0.041 0.000 1.068 403 N HN -0.056 nan 8.380 nan 0.000 0.510 404 S N -0.140 115.520 115.700 -0.067 0.000 2.573 404 S HA 0.298 4.758 4.470 -0.016 0.000 0.277 404 S C 0.131 174.606 174.600 -0.207 0.000 1.346 404 S CA -0.291 57.856 58.200 -0.088 0.000 1.034 404 S CB 1.151 64.304 63.200 -0.078 0.000 0.879 404 S HN 0.139 nan 8.310 nan 0.000 0.528 405 R N 0.584 120.960 120.500 -0.206 0.000 2.740 405 R HA 0.478 4.808 4.340 -0.016 0.000 0.273 405 R C -1.099 175.045 176.300 -0.261 0.000 0.998 405 R CA -0.665 55.137 56.100 -0.497 0.000 0.900 405 R CB 1.396 31.117 30.300 -0.964 0.000 1.223 405 R HN 0.771 nan 8.270 nan 0.000 0.466 406 F N -1.155 118.620 119.950 -0.291 0.000 2.432 406 F HA 0.693 5.211 4.527 -0.015 0.000 0.329 406 F C -0.099 175.592 175.800 -0.182 0.000 1.076 406 F CA -1.442 56.353 58.000 -0.341 0.000 1.018 406 F CB 1.114 39.840 39.000 -0.457 0.000 1.201 406 F HN 0.331 nan 8.300 nan 0.000 0.489 407 C N 2.914 122.277 119.300 0.105 0.000 2.407 407 C HA 0.752 5.202 4.460 -0.016 0.000 0.328 407 C C -0.637 174.415 174.990 0.103 0.000 1.137 407 C CA 0.096 59.234 59.018 0.201 0.000 1.390 407 C CB -0.045 27.806 27.740 0.186 0.000 1.989 407 C HN 1.094 nan 8.230 nan 0.000 0.432 408 T N 6.719 121.361 114.554 0.147 0.000 2.912 408 T HA 0.624 4.965 4.350 -0.016 0.000 0.299 408 T C -2.964 171.687 174.700 -0.082 0.000 1.052 408 T CA -1.006 61.119 62.100 0.043 0.000 0.996 408 T CB 1.904 70.809 68.868 0.063 0.000 1.070 408 T HN 0.482 nan 8.240 nan 0.000 0.465 409 P HA 0.245 nan 4.420 nan 0.000 0.267 409 P C 0.055 177.118 177.300 -0.395 0.000 1.205 409 P CA -0.099 62.883 63.100 -0.198 0.000 0.765 409 P CB 0.593 32.232 31.700 -0.100 0.000 0.828 410 A N 3.499 125.930 122.820 -0.649 0.000 1.972 410 A HA -0.165 4.145 4.320 -0.016 0.000 0.219 410 A C 2.083 179.239 177.584 -0.713 0.000 1.169 410 A CA 2.040 53.417 52.037 -1.101 0.000 0.635 410 A CB -1.506 16.682 19.000 -1.353 0.000 0.810 410 A HN 0.576 nan 8.150 nan 0.000 0.446 411 S N -0.534 114.934 115.700 -0.385 0.000 2.469 411 S HA -0.205 4.255 4.470 -0.016 0.000 0.238 411 S C 1.646 176.179 174.600 -0.111 0.000 0.998 411 S CA 1.366 59.480 58.200 -0.143 0.000 0.957 411 S CB -0.425 62.837 63.200 0.102 0.000 0.764 411 S HN 0.707 nan 8.310 nan 0.000 0.514 412 Q N -0.184 119.541 119.800 -0.124 0.000 2.432 412 Q HA 0.188 4.519 4.340 -0.016 0.000 0.205 412 Q C 0.721 176.697 176.000 -0.041 0.000 0.945 412 Q CA 0.036 55.804 55.803 -0.058 0.000 0.924 412 Q CB 0.026 28.738 28.738 -0.044 0.000 1.016 412 Q HN 0.668 nan 8.270 nan 0.000 0.503 413 C N 2.907 122.177 119.300 -0.049 0.000 2.648 413 C HA 0.105 4.556 4.460 -0.016 0.000 0.415 413 C C -0.987 173.997 174.990 -0.010 0.000 1.366 413 C CA -1.662 57.371 59.018 0.024 0.000 1.756 413 C CB 0.454 28.286 27.740 0.153 0.000 2.549 413 C HN 0.336 nan 8.230 nan 0.000 0.597 414 P HA -0.060 nan 4.420 nan 0.000 0.230 414 P C 0.717 178.019 177.300 0.003 0.000 1.158 414 P CA 1.272 64.371 63.100 -0.002 0.000 0.769 414 P CB -0.215 31.484 31.700 -0.002 0.000 0.807 415 I N -3.713 116.858 120.570 0.001 0.000 3.707 415 I HA 0.302 4.463 4.170 -0.016 0.000 0.330 415 I C 0.133 176.255 176.117 0.008 0.000 1.572 415 I CA -1.555 59.751 61.300 0.011 0.000 1.104 415 I CB -1.121 36.886 38.000 0.012 0.000 1.240 415 I HN -0.293 nan 8.210 nan 0.000 0.475 416 I N 2.724 123.276 120.570 -0.031 0.000 2.845 416 I HA -0.055 4.105 4.170 -0.016 0.000 0.296 416 I C 0.429 176.555 176.117 0.015 0.000 1.216 416 I CA 0.635 61.871 61.300 -0.106 0.000 1.438 416 I CB 0.181 37.968 38.000 -0.355 0.000 1.342 416 I HN 0.341 nan 8.210 nan 0.000 0.577 417 D N 8.735 129.196 120.400 0.102 0.000 2.382 417 D HA 0.199 4.829 4.640 -0.016 0.000 0.245 417 D C -1.556 174.925 176.300 0.302 0.000 1.120 417 D CA -1.146 52.986 54.000 0.221 0.000 0.890 417 D CB 1.085 42.080 40.800 0.324 0.000 1.201 417 D HN 0.364 nan 8.370 nan 0.000 0.433 418 P HA -0.084 nan 4.420 nan 0.000 0.225 418 P C 0.177 177.606 177.300 0.214 0.000 1.148 418 P CA 0.619 63.853 63.100 0.224 0.000 0.779 418 P CB 0.166 31.956 31.700 0.149 0.000 0.780 419 A N -0.411 122.546 122.820 0.228 0.000 2.423 419 A HA 0.081 4.391 4.320 -0.016 0.000 0.246 419 A C 1.672 179.329 177.584 0.122 0.000 1.278 419 A CA -0.625 51.487 52.037 0.126 0.000 0.903 419 A CB -1.399 17.650 19.000 0.081 0.000 0.997 419 A HN 0.330 nan 8.150 nan 0.000 0.510 420 W N 0.486 121.808 121.300 0.037 0.000 2.525 420 W HA 0.013 4.664 4.660 -0.015 0.000 0.259 420 W C 0.013 176.525 176.519 -0.012 0.000 1.253 420 W CA 1.184 58.544 57.345 0.024 0.000 1.262 420 W CB -0.305 29.187 29.460 0.055 0.000 1.122 420 W HN 0.494 nan 8.180 nan 0.000 0.607 421 E N 0.972 120.783 120.200 -0.647 0.000 2.548 421 E HA 0.035 4.375 4.350 -0.016 0.000 0.206 421 E C 0.223 176.628 176.600 -0.325 0.000 1.005 421 E CA -0.172 55.828 56.400 -0.666 0.000 0.951 421 E CB 0.616 29.785 29.700 -0.886 0.000 1.035 421 E HN -0.076 nan 8.360 nan 0.000 0.470 422 S N 1.950 117.530 115.700 -0.200 0.000 2.531 422 S HA 0.103 4.564 4.470 -0.016 0.000 0.279 422 S C -1.803 172.722 174.600 -0.125 0.000 1.305 422 S CA -1.350 56.770 58.200 -0.133 0.000 1.058 422 S CB 0.741 63.887 63.200 -0.089 0.000 0.899 422 S HN -0.095 nan 8.310 nan 0.000 0.493 423 P HA 0.066 nan 4.420 nan 0.000 0.237 423 P C 0.604 177.854 177.300 -0.083 0.000 1.178 423 P CA 0.369 63.413 63.100 -0.094 0.000 0.766 423 P CB 0.191 31.842 31.700 -0.083 0.000 0.876 424 E N -0.433 119.719 120.200 -0.081 0.000 2.435 424 E HA 0.146 4.487 4.350 -0.016 0.000 0.195 424 E C 1.419 177.965 176.600 -0.089 0.000 1.029 424 E CA 0.606 56.961 56.400 -0.075 0.000 0.865 424 E CB -0.750 28.911 29.700 -0.064 0.000 0.833 424 E HN 0.135 nan 8.360 nan 0.000 0.510 425 G N 0.774 109.513 108.800 -0.101 0.000 2.796 425 G HA2 -0.234 3.717 3.960 -0.016 0.000 0.226 425 G HA3 -0.234 3.717 3.960 -0.016 0.000 0.226 425 G C -0.012 174.778 174.900 -0.184 0.000 1.381 425 G CA -0.070 44.958 45.100 -0.120 0.000 0.867 425 G HN 0.486 nan 8.290 nan 0.000 0.552 426 V N -2.835 116.920 119.914 -0.265 0.000 2.769 426 V HA 0.903 5.013 4.120 -0.016 0.000 0.312 426 V C -2.361 173.547 176.094 -0.311 0.000 1.061 426 V CA -1.908 60.101 62.300 -0.484 0.000 0.931 426 V CB 2.465 33.600 31.823 -1.146 0.000 1.010 426 V HN 0.943 nan 8.190 nan 0.000 0.433 427 P HA 0.423 nan 4.420 nan 0.000 0.292 427 P C -0.792 176.527 177.300 0.032 0.000 1.326 427 P CA -0.183 62.882 63.100 -0.059 0.000 0.787 427 P CB 1.103 32.801 31.700 -0.003 0.000 0.903 428 I N 4.026 124.601 120.570 0.009 0.000 2.371 428 I HA 0.160 4.321 4.170 -0.016 0.000 0.290 428 I C 1.409 177.572 176.117 0.078 0.000 1.028 428 I CA 0.023 61.368 61.300 0.074 0.000 1.345 428 I CB 0.559 38.586 38.000 0.045 0.000 1.407 428 I HN 0.423 nan 8.210 nan 0.000 0.501 429 E N 3.607 123.867 120.200 0.100 0.000 2.473 429 E HA 0.260 4.600 4.350 -0.016 0.000 0.204 429 E C 0.695 177.364 176.600 0.114 0.000 0.994 429 E CA -0.105 56.342 56.400 0.079 0.000 0.945 429 E CB 1.175 30.887 29.700 0.020 0.000 0.990 429 E HN 0.796 nan 8.360 nan 0.000 0.493 430 G N 1.005 109.892 108.800 0.145 0.000 2.746 430 G HA2 0.590 4.540 3.960 -0.016 0.000 0.297 430 G HA3 0.590 4.540 3.960 -0.016 0.000 0.297 430 G C -1.296 173.696 174.900 0.154 0.000 1.426 430 G CA -0.619 44.604 45.100 0.204 0.000 0.989 430 G HN -0.044 nan 8.290 nan 0.000 0.520 431 I N 1.486 122.116 120.570 0.101 0.000 2.465 431 I HA 0.447 4.607 4.170 -0.016 0.000 0.291 431 I C -0.549 175.438 176.117 -0.218 0.000 1.014 431 I CA -0.771 60.478 61.300 -0.086 0.000 1.093 431 I CB 2.203 40.128 38.000 -0.124 0.000 1.267 431 I HN 0.221 nan 8.210 nan 0.000 0.431 432 I N 5.833 126.223 120.570 -0.299 0.000 2.378 432 I HA 0.401 4.562 4.170 -0.016 0.000 0.291 432 I C -0.782 175.073 176.117 -0.436 0.000 0.992 432 I CA -0.413 60.749 61.300 -0.229 0.000 1.154 432 I CB 1.125 39.097 38.000 -0.046 0.000 1.315 432 I HN 0.278 nan 8.210 nan 0.000 0.448 433 F N 3.223 123.106 119.950 -0.111 0.000 2.483 433 F HA 0.894 5.411 4.527 -0.017 0.000 0.329 433 F C 0.812 176.401 175.800 -0.352 0.000 1.064 433 F CA -0.762 57.133 58.000 -0.176 0.000 0.986 433 F CB 2.006 40.885 39.000 -0.202 0.000 1.218 433 F HN 0.505 nan 8.300 nan 0.000 0.484 434 G N -0.603 108.149 108.800 -0.080 0.000 2.340 434 G HA2 0.531 4.481 3.960 -0.016 0.000 0.298 434 G HA3 0.531 4.481 3.960 -0.016 0.000 0.298 434 G C -1.312 173.402 174.900 -0.311 0.000 1.498 434 G CA -0.063 44.670 45.100 -0.610 0.000 0.847 434 G HN 1.060 nan 8.290 nan 0.000 0.594 435 G N -0.980 107.623 108.800 -0.327 0.000 2.650 435 G HA2 0.618 4.569 3.960 -0.016 0.000 0.310 435 G HA3 0.618 4.569 3.960 -0.016 0.000 0.310 435 G C -1.260 173.541 174.900 -0.165 0.000 1.270 435 G CA -0.941 44.029 45.100 -0.216 0.000 0.810 435 G HN 0.596 nan 8.290 nan 0.000 0.493 436 R N 1.095 121.435 120.500 -0.266 0.000 2.235 436 R HA 0.418 4.749 4.340 -0.016 0.000 0.338 436 R C -0.580 175.671 176.300 -0.082 0.000 1.087 436 R CA -0.405 55.510 56.100 -0.308 0.000 0.948 436 R CB 0.657 30.626 30.300 -0.553 0.000 1.099 436 R HN 0.088 nan 8.270 nan 0.000 0.483 437 R N 3.940 124.469 120.500 0.047 0.000 2.371 437 R HA 0.189 4.519 4.340 -0.016 0.000 0.312 437 R C -1.963 174.373 176.300 0.060 0.000 0.980 437 R CA -2.163 53.956 56.100 0.031 0.000 0.867 437 R CB 1.625 31.945 30.300 0.032 0.000 1.163 437 R HN 0.409 nan 8.270 nan 0.000 0.492 438 P HA -0.004 nan 4.420 nan 0.000 0.229 438 P C -0.144 177.149 177.300 -0.012 0.000 1.160 438 P CA 0.640 63.773 63.100 0.054 0.000 0.777 438 P CB 0.651 32.365 31.700 0.023 0.000 0.814 439 A N -1.609 121.169 122.820 -0.070 0.000 2.454 439 A HA 0.664 4.974 4.320 -0.016 0.000 0.302 439 A C 0.959 178.208 177.584 -0.559 0.000 1.079 439 A CA -0.024 51.893 52.037 -0.200 0.000 0.731 439 A CB 1.114 20.052 19.000 -0.103 0.000 1.299 439 A HN 0.158 nan 8.150 nan 0.000 0.413 440 G N -0.586 107.707 108.800 -0.845 0.000 2.458 440 G HA2 -0.180 3.771 3.960 -0.016 0.000 0.237 440 G HA3 -0.180 3.771 3.960 -0.016 0.000 0.237 440 G C 0.315 174.738 174.900 -0.795 0.000 1.113 440 G CA 0.395 44.440 45.100 -1.758 0.000 0.655 440 G HN 1.670 nan 8.290 nan 0.000 0.513 441 V N 4.492 124.160 119.914 -0.410 0.000 2.364 441 V HA 0.493 4.603 4.120 -0.016 0.000 0.272 441 V C -1.282 174.826 176.094 0.024 0.000 1.036 441 V CA -1.244 61.089 62.300 0.055 0.000 0.880 441 V CB 1.454 33.366 31.823 0.148 0.000 0.991 441 V HN 0.299 nan 8.190 nan 0.000 0.460 442 P HA 0.127 nan 4.420 nan 0.000 0.274 442 P C 0.866 178.004 177.300 -0.271 0.000 1.256 442 P CA -0.489 62.511 63.100 -0.165 0.000 0.795 442 P CB 1.040 32.685 31.700 -0.092 0.000 1.038 443 L N 1.096 121.874 121.223 -0.743 0.000 2.042 443 L HA -0.016 4.314 4.340 -0.016 0.000 0.210 443 L C 0.602 177.244 176.870 -0.380 0.000 1.076 443 L CA 1.994 56.421 54.840 -0.689 0.000 0.749 443 L CB -0.154 41.212 42.059 -1.154 0.000 0.893 443 L HN 0.241 nan 8.230 nan 0.000 0.432 444 V N -0.918 118.876 119.914 -0.201 0.000 3.000 444 V HA 0.451 4.562 4.120 -0.016 0.000 0.300 444 V C -1.664 174.603 176.094 0.288 0.000 1.251 444 V CA -0.563 61.755 62.300 0.031 0.000 0.972 444 V CB 1.942 33.770 31.823 0.009 0.000 1.065 444 V HN 0.369 nan 8.190 nan 0.000 0.431 445 Y N 2.201 122.666 120.300 0.275 0.000 2.655 445 Y HA 0.830 5.369 4.550 -0.018 0.000 0.336 445 Y C -0.868 175.370 175.900 0.564 0.000 1.154 445 Y CA -1.000 57.320 58.100 0.366 0.000 1.055 445 Y CB 1.579 40.173 38.460 0.224 0.000 1.295 445 Y HN 0.728 nan 8.280 nan 0.000 0.465 446 E N 1.787 122.434 120.200 0.745 0.000 2.199 446 E HA 0.714 5.055 4.350 -0.016 0.000 0.269 446 E C -0.932 175.932 176.600 0.441 0.000 0.899 446 E CA -1.139 55.564 56.400 0.506 0.000 0.772 446 E CB 1.854 31.902 29.700 0.580 0.000 1.155 446 E HN 1.044 nan 8.360 nan 0.000 0.408 447 A N 4.159 127.114 122.820 0.225 0.000 2.425 447 A HA 0.144 4.454 4.320 -0.016 0.000 0.242 447 A C 0.894 178.727 177.584 0.414 0.000 1.077 447 A CA -0.127 52.100 52.037 0.317 0.000 0.781 447 A CB 0.275 19.313 19.000 0.062 0.000 1.020 447 A HN 0.854 nan 8.150 nan 0.000 0.494 448 L N 0.861 122.425 121.223 0.569 0.000 2.341 448 L HA 0.079 4.409 4.340 -0.016 0.000 0.214 448 L C 0.938 177.969 176.870 0.269 0.000 1.115 448 L CA 1.141 56.146 54.840 0.276 0.000 0.820 448 L CB -0.464 41.567 42.059 -0.047 0.000 0.944 448 L HN 0.924 nan 8.230 nan 0.000 0.452 449 S N -3.939 111.939 115.700 0.297 0.000 2.636 449 S HA 0.020 4.481 4.470 -0.016 0.000 0.266 449 S C -0.119 174.670 174.600 0.316 0.000 1.147 449 S CA -0.918 57.447 58.200 0.275 0.000 0.815 449 S CB 0.184 63.524 63.200 0.233 0.000 1.119 449 S HN 0.204 nan 8.310 nan 0.000 0.470 450 W N 1.224 122.607 121.300 0.138 0.000 2.355 450 W HA -0.170 4.482 4.660 -0.014 0.000 0.309 450 W C 1.803 178.438 176.519 0.193 0.000 1.206 450 W CA 2.273 59.710 57.345 0.154 0.000 1.284 450 W CB -0.378 29.145 29.460 0.104 0.000 1.145 450 W HN 0.907 nan 8.180 nan 0.000 0.502 451 Q N -1.198 118.773 119.800 0.285 0.000 2.061 451 Q HA -0.319 4.011 4.340 -0.016 0.000 0.204 451 Q C 2.394 178.503 176.000 0.182 0.000 0.984 451 Q CA 2.134 58.055 55.803 0.196 0.000 0.846 451 Q CB -0.961 27.907 28.738 0.217 0.000 0.902 451 Q HN 0.470 nan 8.270 nan 0.000 0.421 452 H N -0.572 118.561 119.070 0.106 0.000 2.352 452 H HA -0.112 4.435 4.556 -0.016 0.000 0.299 452 H C 1.955 177.379 175.328 0.160 0.000 1.097 452 H CA 1.251 57.375 56.048 0.126 0.000 1.311 452 H CB 0.017 29.831 29.762 0.086 0.000 1.377 452 H HN 0.347 nan 8.280 nan 0.000 0.504 453 G N 0.217 108.977 108.800 -0.067 0.000 2.422 453 G HA2 -0.200 3.750 3.960 -0.016 0.000 0.218 453 G HA3 -0.200 3.750 3.960 -0.016 0.000 0.218 453 G C 1.855 176.622 174.900 -0.223 0.000 1.146 453 G CA 0.936 45.932 45.100 -0.173 0.000 0.769 453 G HN 0.345 nan 8.290 nan 0.000 0.547 454 V N 0.468 120.238 119.914 -0.239 0.000 2.427 454 V HA -0.104 4.006 4.120 -0.016 0.000 0.248 454 V C 2.296 178.366 176.094 -0.040 0.000 1.051 454 V CA 1.660 63.887 62.300 -0.121 0.000 1.048 454 V CB -0.647 31.160 31.823 -0.027 0.000 0.666 454 V HN 0.410 nan 8.190 nan 0.000 0.456 455 F N 0.964 120.861 119.950 -0.088 0.000 2.126 455 F HA -0.217 4.301 4.527 -0.015 0.000 0.299 455 F C 2.207 177.924 175.800 -0.137 0.000 1.096 455 F CA 1.977 59.952 58.000 -0.042 0.000 1.255 455 F CB -0.390 38.634 39.000 0.040 0.000 0.997 455 F HN -0.024 nan 8.300 nan 0.000 0.479 456 V N 0.727 120.463 119.914 -0.295 0.000 2.332 456 V HA -0.274 3.837 4.120 -0.016 0.000 0.248 456 V C 2.784 178.452 176.094 -0.709 0.000 1.055 456 V CA 2.020 64.078 62.300 -0.405 0.000 1.038 456 V CB -1.711 29.990 31.823 -0.204 0.000 0.651 456 V HN 0.582 nan 8.190 nan 0.000 0.450 457 G N -0.480 107.589 108.800 -1.218 0.000 2.418 457 G HA2 -0.205 3.745 3.960 -0.016 0.000 0.217 457 G HA3 -0.205 3.745 3.960 -0.016 0.000 0.217 457 G C 1.735 176.079 174.900 -0.925 0.000 1.158 457 G CA 0.978 44.771 45.100 -2.178 0.000 0.771 457 G HN 0.624 nan 8.290 nan 0.000 0.545 458 A N 0.782 123.399 122.820 -0.339 0.000 2.015 458 A HA 0.381 4.691 4.320 -0.016 0.000 0.219 458 A C 2.552 180.102 177.584 -0.057 0.000 1.163 458 A CA 1.936 54.056 52.037 0.137 0.000 0.646 458 A CB -0.382 18.728 19.000 0.183 0.000 0.806 458 A HN 0.774 nan 8.150 nan 0.000 0.448 459 A N -1.149 121.427 122.820 -0.406 0.000 2.251 459 A HA 0.419 4.730 4.320 -0.016 0.000 0.209 459 A C 0.992 178.442 177.584 -0.223 0.000 1.187 459 A CA -0.269 51.552 52.037 -0.360 0.000 0.823 459 A CB -0.474 18.110 19.000 -0.693 0.000 0.846 459 A HN 0.515 nan 8.150 nan 0.000 0.486 460 M N 0.928 120.394 119.600 -0.223 0.000 2.261 460 M HA 0.088 4.559 4.480 -0.016 0.000 0.350 460 M C 0.230 176.411 176.300 -0.197 0.000 1.343 460 M CA 1.034 56.248 55.300 -0.144 0.000 1.003 460 M CB 0.212 32.730 32.600 -0.137 0.000 1.848 460 M HN 0.304 nan 8.290 nan 0.000 0.456 461 R N 1.125 121.503 120.500 -0.204 0.000 2.837 461 R HA 0.756 5.087 4.340 -0.016 0.000 0.271 461 R C -1.227 174.960 176.300 -0.187 0.000 0.993 461 R CA -0.855 55.057 56.100 -0.314 0.000 0.931 461 R CB 2.435 32.453 30.300 -0.470 0.000 1.206 461 R HN 0.650 nan 8.270 nan 0.000 0.474 462 S N 0.365 115.945 115.700 -0.201 0.000 2.560 462 S HA 0.104 4.564 4.470 -0.016 0.000 0.283 462 S C -1.485 173.016 174.600 -0.165 0.000 1.141 462 S CA -0.786 57.316 58.200 -0.162 0.000 0.902 462 S CB 1.213 64.326 63.200 -0.145 0.000 1.104 462 S HN 0.553 nan 8.310 nan 0.000 0.454 463 E N 2.222 122.328 120.200 -0.156 0.000 2.608 463 E HA 0.170 4.511 4.350 -0.016 0.000 0.259 463 E C 0.709 177.233 176.600 -0.126 0.000 0.951 463 E CA 0.520 56.839 56.400 -0.135 0.000 0.945 463 E CB 0.380 30.000 29.700 -0.135 0.000 0.916 463 E HN 0.696 nan 8.360 nan 0.000 0.477 464 A N 3.578 126.340 122.820 -0.097 0.000 2.507 464 A HA 0.162 4.472 4.320 -0.016 0.000 0.235 464 A C 0.641 178.200 177.584 -0.042 0.000 1.070 464 A CA 0.409 52.413 52.037 -0.055 0.000 0.768 464 A CB 0.217 19.210 19.000 -0.013 0.000 1.011 464 A HN 0.689 nan 8.150 nan 0.000 0.502 465 T N -2.430 112.117 114.554 -0.011 0.000 2.724 465 T HA 0.667 5.008 4.350 -0.016 0.000 0.274 465 T C 0.601 175.300 174.700 -0.002 0.000 0.984 465 T CA 0.000 62.086 62.100 -0.024 0.000 1.024 465 T CB 1.345 70.194 68.868 -0.031 0.000 1.320 465 T HN 1.367 nan 8.240 nan 0.000 0.555 466 A N -0.563 122.243 122.820 -0.023 0.000 2.307 466 A HA 0.654 4.965 4.320 -0.016 0.000 0.218 466 A C 2.101 179.682 177.584 -0.005 0.000 1.228 466 A CA 0.557 52.577 52.037 -0.029 0.000 0.857 466 A CB -1.135 17.815 19.000 -0.084 0.000 0.897 466 A HN 1.123 nan 8.150 nan 0.000 0.495 467 A N -0.730 122.102 122.820 0.020 0.000 2.121 467 A HA 0.484 4.794 4.320 -0.016 0.000 0.218 467 A C 1.417 179.030 177.584 0.048 0.000 1.154 467 A CA 1.560 53.630 52.037 0.055 0.000 0.679 467 A CB -0.283 18.782 19.000 0.108 0.000 0.795 467 A HN 1.034 nan 8.150 nan 0.000 0.458 468 A N -0.773 122.053 122.820 0.010 0.000 4.069 468 A HA 0.559 4.869 4.320 -0.016 0.000 0.188 468 A C 0.744 178.248 177.584 -0.134 0.000 0.718 468 A CA 0.362 52.366 52.037 -0.055 0.000 0.753 468 A CB -0.085 18.876 19.000 -0.064 0.000 1.566 468 A HN 0.145 nan 8.150 nan 0.000 0.836 469 E N 0.874 120.891 120.200 -0.304 0.000 2.479 469 E HA 0.016 4.356 4.350 -0.016 0.000 0.193 469 E C -0.693 175.746 176.600 -0.268 0.000 1.049 469 E CA -0.023 56.212 56.400 -0.275 0.000 0.870 469 E CB -0.295 29.253 29.700 -0.252 0.000 0.944 469 E HN 0.572 nan 8.360 nan 0.000 0.492 470 H N 2.031 121.093 119.070 -0.013 0.000 2.742 470 H HA 0.293 4.837 4.556 -0.020 0.000 0.302 470 H C 0.293 175.609 175.328 -0.020 0.000 1.069 470 H CA -0.095 55.943 56.048 -0.018 0.000 1.446 470 H CB 0.911 30.656 29.762 -0.028 0.000 1.462 470 H HN -0.046 nan 8.280 nan 0.000 0.499 471 K N 1.453 121.908 120.400 0.091 0.000 2.168 471 K HA 0.479 4.789 4.320 -0.016 0.000 0.239 471 K C 0.900 177.518 176.600 0.031 0.000 0.999 471 K CA -0.335 55.977 56.287 0.041 0.000 0.900 471 K CB 2.037 34.552 32.500 0.026 0.000 1.111 471 K HN 0.882 nan 8.250 nan 0.000 0.452 472 G N 1.177 109.983 108.800 0.010 0.000 2.693 472 G HA2 -0.214 3.737 3.960 -0.016 0.000 0.226 472 G HA3 -0.214 3.737 3.960 -0.016 0.000 0.226 472 G C -0.512 174.380 174.900 -0.013 0.000 1.354 472 G CA -0.439 44.660 45.100 -0.001 0.000 0.873 472 G HN 0.430 nan 8.290 nan 0.000 0.562 473 K N -0.165 120.221 120.400 -0.023 0.000 2.758 473 K HA 0.415 4.725 4.320 -0.016 0.000 0.208 473 K C 0.520 177.089 176.600 -0.051 0.000 1.091 473 K CA -0.211 56.053 56.287 -0.038 0.000 1.059 473 K CB 0.948 33.425 32.500 -0.038 0.000 0.801 473 K HN 0.491 nan 8.250 nan 0.000 0.470 474 V N 2.087 121.971 119.914 -0.050 0.000 2.637 474 V HA 0.133 4.244 4.120 -0.016 0.000 0.296 474 V C 0.999 177.034 176.094 -0.098 0.000 1.046 474 V CA -0.342 61.919 62.300 -0.065 0.000 1.066 474 V CB 0.710 32.499 31.823 -0.057 0.000 0.968 474 V HN 0.221 nan 8.190 nan 0.000 0.483 475 I N 6.114 126.618 120.570 -0.111 0.000 2.505 475 I HA 0.175 4.335 4.170 -0.016 0.000 0.287 475 I C 0.286 176.283 176.117 -0.200 0.000 1.104 475 I CA 0.660 61.867 61.300 -0.155 0.000 1.387 475 I CB 0.205 38.113 38.000 -0.153 0.000 1.404 475 I HN 0.502 nan 8.210 nan 0.000 0.528 476 M N 5.367 124.832 119.600 -0.225 0.000 2.508 476 M HA 0.407 4.878 4.480 -0.016 0.000 0.327 476 M C -0.173 175.933 176.300 -0.324 0.000 1.160 476 M CA -0.781 54.376 55.300 -0.239 0.000 0.980 476 M CB 1.690 34.151 32.600 -0.232 0.000 1.693 476 M HN 0.413 nan 8.290 nan 0.000 0.452 477 H N 1.449 120.321 119.070 -0.331 0.000 2.848 477 H HA 0.074 4.622 4.556 -0.013 0.000 0.341 477 H C -0.843 174.319 175.328 -0.276 0.000 1.060 477 H CA 0.904 56.690 56.048 -0.436 0.000 1.444 477 H CB 0.776 29.984 29.762 -0.924 0.000 1.446 477 H HN 0.481 nan 8.280 nan 0.000 0.583 478 D N 4.148 124.472 120.400 -0.128 0.000 2.846 478 D HA 0.143 4.773 4.640 -0.016 0.000 0.279 478 D C -2.691 173.578 176.300 -0.052 0.000 1.222 478 D CA -1.593 52.356 54.000 -0.086 0.000 0.769 478 D CB 0.781 41.536 40.800 -0.076 0.000 1.299 478 D HN 0.269 nan 8.370 nan 0.000 0.537 479 P HA 0.004 nan 4.420 nan 0.000 0.261 479 P C 0.286 177.732 177.300 0.245 0.000 1.183 479 P CA 0.025 63.166 63.100 0.069 0.000 0.761 479 P CB 0.028 31.712 31.700 -0.026 0.000 0.785 480 F N 1.693 121.584 119.950 -0.099 0.000 3.006 480 F HA -0.297 4.220 4.527 -0.016 0.000 0.289 480 F C 1.456 177.335 175.800 0.132 0.000 0.772 480 F CA 1.141 59.152 58.000 0.018 0.000 1.162 480 F CB -2.522 36.606 39.000 0.213 0.000 1.382 480 F HN 0.596 nan 8.300 nan 0.000 0.406 481 A N -1.532 121.398 122.820 0.182 0.000 2.816 481 A HA -0.299 4.011 4.320 -0.016 0.000 0.270 481 A C 1.365 179.117 177.584 0.280 0.000 1.413 481 A CA 1.682 53.855 52.037 0.228 0.000 0.866 481 A CB -1.407 17.738 19.000 0.242 0.000 1.032 481 A HN 0.427 nan 8.150 nan 0.000 0.642 482 M N -1.595 117.987 119.600 -0.031 0.000 2.346 482 M HA 0.150 4.620 4.480 -0.016 0.000 0.280 482 M C 1.595 177.280 176.300 -1.026 0.000 1.075 482 M CA 0.510 55.533 55.300 -0.462 0.000 0.989 482 M CB -0.355 31.712 32.600 -0.889 0.000 1.447 482 M HN 0.645 nan 8.290 nan 0.000 0.511 483 R N 1.797 121.960 120.500 -0.562 0.000 2.103 483 R HA -0.152 4.179 4.340 -0.016 0.000 0.242 483 R C -1.088 174.941 176.300 -0.452 0.000 1.142 483 R CA 1.789 57.660 56.100 -0.382 0.000 0.960 483 R CB -0.869 29.324 30.300 -0.178 0.000 0.858 483 R HN 0.163 nan 8.270 nan 0.000 0.439 484 P HA 0.010 nan 4.420 nan 0.000 0.245 484 P C -0.166 176.612 177.300 -0.870 0.000 1.212 484 P CA 0.932 63.497 63.100 -0.892 0.000 0.774 484 P CB 0.193 31.047 31.700 -1.410 0.000 0.999 485 F N -3.740 116.020 119.950 -0.317 0.000 2.856 485 F HA 0.301 4.819 4.527 -0.015 0.000 0.338 485 F C 0.551 176.191 175.800 -0.267 0.000 1.100 485 F CA -1.049 56.787 58.000 -0.274 0.000 1.150 485 F CB -0.610 38.222 39.000 -0.281 0.000 1.101 485 F HN -0.316 nan 8.300 nan 0.000 0.548 486 F N 1.070 120.991 119.950 -0.048 0.000 2.602 486 F HA 0.312 4.829 4.527 -0.017 0.000 0.385 486 F C 1.707 177.480 175.800 -0.045 0.000 1.063 486 F CA 0.023 57.944 58.000 -0.133 0.000 1.233 486 F CB 0.305 39.138 39.000 -0.278 0.000 1.067 486 F HN 0.103 nan 8.300 nan 0.000 0.564 487 G N 2.864 111.819 108.800 0.259 0.000 2.813 487 G HA2 0.128 4.079 3.960 -0.016 0.000 0.209 487 G HA3 0.128 4.079 3.960 -0.016 0.000 0.209 487 G C -0.452 174.661 174.900 0.355 0.000 1.150 487 G CA 0.584 45.845 45.100 0.269 0.000 0.785 487 G HN 0.694 nan 8.290 nan 0.000 0.535 488 Y N -2.863 117.515 120.300 0.131 0.000 2.818 488 Y HA 0.458 4.999 4.550 -0.015 0.000 0.341 488 Y C -0.789 175.137 175.900 0.043 0.000 1.283 488 Y CA -2.212 55.932 58.100 0.073 0.000 1.075 488 Y CB 0.164 38.648 38.460 0.040 0.000 1.370 488 Y HN -0.157 nan 8.280 nan 0.000 0.448 489 N N 1.772 120.484 118.700 0.020 0.000 2.414 489 N HA -0.104 4.626 4.740 -0.016 0.000 0.268 489 N C 0.518 175.842 175.510 -0.311 0.000 1.286 489 N CA 0.329 53.316 53.050 -0.104 0.000 0.896 489 N CB 0.168 38.657 38.487 0.004 0.000 1.093 489 N HN 0.785 nan 8.380 nan 0.000 0.480 490 F N 4.665 124.245 119.950 -0.616 0.000 2.161 490 F HA 0.015 4.534 4.527 -0.014 0.000 0.300 490 F C 1.975 177.538 175.800 -0.395 0.000 1.089 490 F CA 1.816 59.282 58.000 -0.890 0.000 1.282 490 F CB -0.646 37.727 39.000 -1.045 0.000 1.010 490 F HN 0.563 nan 8.300 nan 0.000 0.485 491 G N 0.754 109.296 108.800 -0.429 0.000 2.440 491 G HA2 -0.254 3.697 3.960 -0.016 0.000 0.218 491 G HA3 -0.254 3.697 3.960 -0.016 0.000 0.218 491 G C 1.784 176.564 174.900 -0.199 0.000 1.154 491 G CA 0.719 45.588 45.100 -0.386 0.000 0.767 491 G HN 0.206 nan 8.290 nan 0.000 0.552 492 K N -0.060 120.301 120.400 -0.065 0.000 2.097 492 K HA -0.082 4.229 4.320 -0.016 0.000 0.206 492 K C 2.046 178.794 176.600 0.246 0.000 1.049 492 K CA 0.911 57.269 56.287 0.118 0.000 0.933 492 K CB -0.726 31.912 32.500 0.230 0.000 0.717 492 K HN 0.533 nan 8.250 nan 0.000 0.442 493 Y N 1.787 122.061 120.300 -0.044 0.000 2.181 493 Y HA -0.150 4.391 4.550 -0.015 0.000 0.288 493 Y C 1.980 177.938 175.900 0.096 0.000 1.146 493 Y CA 1.276 59.418 58.100 0.071 0.000 1.164 493 Y CB -0.332 37.970 38.460 -0.263 0.000 0.982 493 Y HN -0.100 nan 8.280 nan 0.000 0.515 494 L N -0.007 121.205 121.223 -0.019 0.000 2.042 494 L HA -0.252 4.079 4.340 -0.016 0.000 0.210 494 L C 2.824 179.735 176.870 0.068 0.000 1.076 494 L CA 1.283 56.072 54.840 -0.086 0.000 0.749 494 L CB -1.050 40.834 42.059 -0.293 0.000 0.893 494 L HN 0.374 nan 8.230 nan 0.000 0.432 495 A N -0.788 122.078 122.820 0.077 0.000 1.933 495 A HA -0.284 4.026 4.320 -0.016 0.000 0.218 495 A C 2.108 179.808 177.584 0.194 0.000 1.175 495 A CA 1.865 53.980 52.037 0.132 0.000 0.628 495 A CB -0.757 18.306 19.000 0.105 0.000 0.814 495 A HN 0.499 nan 8.150 nan 0.000 0.444 496 H N -2.002 117.122 119.070 0.091 0.000 2.321 496 H HA -0.177 4.369 4.556 -0.016 0.000 0.300 496 H C 1.765 177.125 175.328 0.053 0.000 1.087 496 H CA 2.079 58.154 56.048 0.044 0.000 1.319 496 H CB -0.423 29.355 29.762 0.026 0.000 1.379 496 H HN 0.622 nan 8.280 nan 0.000 0.501 497 W N 0.517 121.751 121.300 -0.111 0.000 2.338 497 W HA -0.142 4.510 4.660 -0.014 0.000 0.304 497 W C 2.514 179.184 176.519 0.251 0.000 1.212 497 W CA 1.363 58.706 57.345 -0.003 0.000 1.264 497 W CB -0.482 28.910 29.460 -0.113 0.000 1.142 497 W HN 0.198 nan 8.180 nan 0.000 0.512 498 L N 0.108 121.573 121.223 0.405 0.000 2.083 498 L HA -0.245 4.085 4.340 -0.016 0.000 0.209 498 L C 2.716 179.728 176.870 0.236 0.000 1.083 498 L CA 1.666 56.740 54.840 0.389 0.000 0.752 498 L CB -1.127 41.094 42.059 0.270 0.000 0.899 498 L HN 0.029 nan 8.230 nan 0.000 0.433 499 S N -0.387 115.404 115.700 0.152 0.000 2.442 499 S HA -0.220 4.240 4.470 -0.016 0.000 0.236 499 S C 1.935 176.465 174.600 -0.117 0.000 1.007 499 S CA 1.012 59.262 58.200 0.083 0.000 0.965 499 S CB -0.414 62.843 63.200 0.095 0.000 0.773 499 S HN 0.361 nan 8.310 nan 0.000 0.504 500 M N 1.577 121.081 119.600 -0.161 0.000 2.202 500 M HA -0.045 4.425 4.480 -0.016 0.000 0.262 500 M C 2.627 178.503 176.300 -0.706 0.000 1.063 500 M CA 1.512 56.562 55.300 -0.417 0.000 1.097 500 M CB -0.731 31.704 32.600 -0.273 0.000 1.382 500 M HN 0.553 nan 8.290 nan 0.000 0.413 501 A N -0.484 121.907 122.820 -0.714 0.000 2.070 501 A HA -0.165 4.145 4.320 -0.016 0.000 0.220 501 A C 1.550 178.759 177.584 -0.625 0.000 1.159 501 A CA 1.393 52.949 52.037 -0.801 0.000 0.656 501 A CB -0.823 17.790 19.000 -0.644 0.000 0.800 501 A HN 0.533 nan 8.150 nan 0.000 0.453 502 H N -1.388 117.549 119.070 -0.222 0.000 2.586 502 H HA 0.210 4.756 4.556 -0.016 0.000 0.273 502 H C 0.690 175.906 175.328 -0.187 0.000 0.997 502 H CA -0.134 55.819 56.048 -0.159 0.000 1.177 502 H CB -0.054 29.654 29.762 -0.089 0.000 1.471 502 H HN 0.405 nan 8.280 nan 0.000 0.538 503 R N 2.032 122.400 120.500 -0.219 0.000 2.641 503 R HA 0.146 4.476 4.340 -0.016 0.000 0.269 503 R C -2.326 173.848 176.300 -0.210 0.000 1.074 503 R CA -1.507 54.454 56.100 -0.231 0.000 1.133 503 R CB 0.226 30.291 30.300 -0.392 0.000 1.029 503 R HN 0.002 nan 8.270 nan 0.000 0.488 504 P HA 0.053 nan 4.420 nan 0.000 0.271 504 P C -0.620 176.614 177.300 -0.109 0.000 1.233 504 P CA 0.510 63.551 63.100 -0.098 0.000 0.764 504 P CB 1.141 32.805 31.700 -0.059 0.000 0.825 505 A N 2.710 125.470 122.820 -0.101 0.000 2.979 505 A HA -0.119 4.191 4.320 -0.016 0.000 0.260 505 A C 0.909 178.425 177.584 -0.114 0.000 1.282 505 A CA 0.644 52.632 52.037 -0.082 0.000 0.971 505 A CB -2.331 16.643 19.000 -0.044 0.000 1.124 505 A HN 0.778 nan 8.150 nan 0.000 0.826 506 A N -0.184 122.498 122.820 -0.229 0.000 2.546 506 A HA 0.433 4.743 4.320 -0.016 0.000 0.243 506 A C 0.506 177.968 177.584 -0.203 0.000 1.063 506 A CA 1.039 52.856 52.037 -0.367 0.000 0.757 506 A CB -0.047 18.447 19.000 -0.842 0.000 0.991 506 A HN 0.545 nan 8.150 nan 0.000 0.503 507 K N 3.049 123.442 120.400 -0.011 0.000 2.296 507 K HA 0.376 4.687 4.320 -0.016 0.000 0.257 507 K C -0.951 175.713 176.600 0.107 0.000 1.088 507 K CA 0.091 56.399 56.287 0.035 0.000 0.980 507 K CB 0.724 33.267 32.500 0.071 0.000 1.430 507 K HN 0.650 nan 8.250 nan 0.000 0.441 508 L N 5.357 126.554 121.223 -0.043 0.000 2.360 508 L HA 0.234 4.565 4.340 -0.016 0.000 0.276 508 L C -1.598 175.357 176.870 0.141 0.000 1.121 508 L CA -1.872 52.923 54.840 -0.076 0.000 0.845 508 L CB 0.081 41.906 42.059 -0.391 0.000 1.143 508 L HN 0.365 nan 8.230 nan 0.000 0.452 509 P HA 0.051 nan 4.420 nan 0.000 0.272 509 P C -0.806 176.657 177.300 0.272 0.000 1.230 509 P CA -0.530 62.727 63.100 0.261 0.000 0.788 509 P CB 0.766 32.632 31.700 0.277 0.000 0.949 510 K N 1.375 121.843 120.400 0.112 0.000 2.326 510 K HA 0.303 4.613 4.320 -0.016 0.000 0.275 510 K C -0.359 176.127 176.600 -0.191 0.000 1.018 510 K CA -0.247 55.996 56.287 -0.072 0.000 0.962 510 K CB 0.036 32.415 32.500 -0.201 0.000 0.953 510 K HN 0.375 nan 8.250 nan 0.000 0.475 511 I N 4.705 125.085 120.570 -0.317 0.000 2.404 511 I HA 0.332 4.493 4.170 -0.016 0.000 0.293 511 I C -0.858 174.968 176.117 -0.486 0.000 0.992 511 I CA -0.759 60.371 61.300 -0.283 0.000 1.149 511 I CB 0.996 38.926 38.000 -0.115 0.000 1.315 511 I HN 0.503 nan 8.210 nan 0.000 0.446 512 F N 3.712 123.645 119.950 -0.029 0.000 2.611 512 F HA 0.510 5.027 4.527 -0.017 0.000 0.324 512 F C 0.042 175.775 175.800 -0.113 0.000 1.061 512 F CA -0.720 57.266 58.000 -0.023 0.000 0.954 512 F CB 1.563 40.583 39.000 0.033 0.000 1.301 512 F HN 0.370 nan 8.300 nan 0.000 0.482 513 H N 1.342 120.282 119.070 -0.216 0.000 2.589 513 H HA 0.698 5.243 4.556 -0.018 0.000 0.351 513 H C -1.533 173.577 175.328 -0.363 0.000 1.074 513 H CA -0.599 55.215 56.048 -0.389 0.000 1.203 513 H CB 1.939 31.193 29.762 -0.846 0.000 1.558 513 H HN 0.572 nan 8.280 nan 0.000 0.522 514 V N 2.345 121.898 119.914 -0.602 0.000 3.046 514 V HA 0.540 4.651 4.120 -0.016 0.000 0.316 514 V C -0.511 175.158 176.094 -0.709 0.000 1.104 514 V CA -1.121 60.792 62.300 -0.644 0.000 1.006 514 V CB 2.159 33.294 31.823 -1.146 0.000 1.058 514 V HN 0.881 nan 8.190 nan 0.000 0.440 515 N N 0.841 119.195 118.700 -0.575 0.000 2.581 515 N HA 0.358 5.089 4.740 -0.016 0.000 0.279 515 N C -0.509 174.824 175.510 -0.295 0.000 1.124 515 N CA -0.583 52.239 53.050 -0.380 0.000 0.833 515 N CB 1.358 39.782 38.487 -0.105 0.000 1.338 515 N HN 0.924 nan 8.380 nan 0.000 0.533 516 W N 2.366 123.344 121.300 -0.536 0.000 3.047 516 W HA 0.178 4.826 4.660 -0.020 0.000 0.250 516 W C 0.060 176.090 176.519 -0.815 0.000 1.314 516 W CA -0.446 56.411 57.345 -0.813 0.000 1.540 516 W CB 0.275 28.907 29.460 -1.380 0.000 1.127 516 W HN 0.484 nan 8.180 nan 0.000 0.679 517 F N 0.078 120.055 119.950 0.046 0.000 2.735 517 F HA 0.298 4.818 4.527 -0.013 0.000 0.304 517 F C 1.108 177.069 175.800 0.267 0.000 1.119 517 F CA -0.792 57.299 58.000 0.152 0.000 1.280 517 F CB -0.314 38.746 39.000 0.100 0.000 0.994 517 F HN -0.380 nan 8.300 nan 0.000 0.520 518 R N 2.020 122.675 120.500 0.257 0.000 2.491 518 R HA 0.289 4.620 4.340 -0.016 0.000 0.283 518 R C -0.371 176.058 176.300 0.214 0.000 1.072 518 R CA 0.189 56.383 56.100 0.157 0.000 1.048 518 R CB 0.592 30.904 30.300 0.020 0.000 0.983 518 R HN 0.143 nan 8.270 nan 0.000 0.450 519 K N 2.091 122.556 120.400 0.107 0.000 2.328 519 K HA 0.191 4.502 4.320 -0.016 0.000 0.246 519 K C -0.789 175.816 176.600 0.009 0.000 0.955 519 K CA -1.023 55.291 56.287 0.045 0.000 0.817 519 K CB 1.464 33.932 32.500 -0.054 0.000 1.208 519 K HN 0.655 nan 8.250 nan 0.000 0.432 520 D N 0.539 120.940 120.400 0.001 0.000 2.440 520 D HA 0.067 4.698 4.640 -0.016 0.000 0.269 520 D C 0.574 176.862 176.300 -0.019 0.000 1.249 520 D CA -0.353 53.645 54.000 -0.003 0.000 1.055 520 D CB 0.456 41.260 40.800 0.007 0.000 1.104 520 D HN 0.267 nan 8.370 nan 0.000 0.561 521 K N -1.143 119.249 120.400 -0.014 0.000 2.228 521 K HA -0.103 4.207 4.320 -0.016 0.000 0.205 521 K C 0.951 177.537 176.600 -0.023 0.000 1.045 521 K CA 1.338 57.615 56.287 -0.016 0.000 0.931 521 K CB -0.147 32.348 32.500 -0.008 0.000 0.727 521 K HN 0.309 nan 8.250 nan 0.000 0.458 522 N N -0.748 117.935 118.700 -0.028 0.000 2.270 522 N HA 0.059 4.790 4.740 -0.016 0.000 0.198 522 N C 0.530 176.004 175.510 -0.059 0.000 1.117 522 N CA 0.883 53.912 53.050 -0.035 0.000 0.845 522 N CB 1.292 39.763 38.487 -0.027 0.000 0.980 522 N HN 0.307 nan 8.380 nan 0.000 0.486 523 G N 1.647 110.401 108.800 -0.076 0.000 2.143 523 G HA2 -0.330 3.621 3.960 -0.016 0.000 0.248 523 G HA3 -0.330 3.621 3.960 -0.016 0.000 0.248 523 G C 0.056 174.830 174.900 -0.211 0.000 0.991 523 G CA 0.743 45.764 45.100 -0.131 0.000 0.689 523 G HN 0.570 nan 8.290 nan 0.000 0.522 524 K N -0.314 119.998 120.400 -0.147 0.000 2.110 524 K HA 0.704 5.014 4.320 -0.016 0.000 0.263 524 K C 0.066 176.607 176.600 -0.098 0.000 0.975 524 K CA -1.130 55.064 56.287 -0.155 0.000 0.895 524 K CB 1.046 33.519 32.500 -0.044 0.000 1.060 524 K HN -0.024 nan 8.250 nan 0.000 0.448 525 F N 2.611 122.590 119.950 0.048 0.000 2.572 525 F HA 0.012 4.536 4.527 -0.004 0.000 0.370 525 F C 1.262 177.091 175.800 0.050 0.000 1.103 525 F CA -0.480 57.554 58.000 0.057 0.000 1.286 525 F CB 0.492 39.526 39.000 0.056 0.000 1.105 525 F HN 0.429 nan 8.300 nan 0.000 0.583 526 L N 3.341 124.736 121.223 0.286 0.000 2.418 526 L HA -0.028 4.302 4.340 -0.016 0.000 0.218 526 L C 0.202 177.231 176.870 0.265 0.000 1.125 526 L CA 0.484 55.445 54.840 0.202 0.000 0.835 526 L CB 0.055 42.201 42.059 0.145 0.000 0.953 526 L HN 0.579 nan 8.230 nan 0.000 0.454 527 W N 1.422 122.727 121.300 0.009 0.000 2.785 527 W HA 0.274 4.922 4.660 -0.020 0.000 0.333 527 W C -2.069 174.366 176.519 -0.141 0.000 1.062 527 W CA -1.623 55.669 57.345 -0.088 0.000 1.233 527 W CB 2.172 31.547 29.460 -0.142 0.000 1.413 527 W HN -0.207 nan 8.180 nan 0.000 0.489 528 P HA 0.049 nan 4.420 nan 0.000 0.225 528 P C 0.987 177.962 177.300 -0.541 0.000 1.156 528 P CA 1.585 64.375 63.100 -0.516 0.000 0.787 528 P CB 0.669 32.069 31.700 -0.499 0.000 0.802 529 G N -0.141 108.114 108.800 -0.908 0.000 2.575 529 G HA2 -0.284 3.666 3.960 -0.016 0.000 0.267 529 G HA3 -0.284 3.666 3.960 -0.016 0.000 0.267 529 G C 0.086 174.639 174.900 -0.578 0.000 1.264 529 G CA -0.100 44.510 45.100 -0.816 0.000 0.935 529 G HN 0.160 nan 8.290 nan 0.000 0.568 530 F N -1.759 117.870 119.950 -0.535 0.000 2.697 530 F HA -0.293 4.223 4.527 -0.019 0.000 0.250 530 F C 2.739 178.339 175.800 -0.333 0.000 1.066 530 F CA 2.834 60.618 58.000 -0.360 0.000 1.366 530 F CB -1.684 37.164 39.000 -0.253 0.000 2.184 530 F HN 1.653 nan 8.300 nan 0.000 0.407 531 G N -0.345 108.445 108.800 -0.018 0.000 2.485 531 G HA2 -0.222 3.728 3.960 -0.016 0.000 0.221 531 G HA3 -0.222 3.728 3.960 -0.016 0.000 0.221 531 G C 1.174 175.974 174.900 -0.167 0.000 1.115 531 G CA 1.292 46.337 45.100 -0.093 0.000 0.751 531 G HN 0.580 nan 8.290 nan 0.000 0.567 532 E N 1.078 121.133 120.200 -0.242 0.000 2.338 532 E HA -0.062 4.279 4.350 -0.016 0.000 0.197 532 E C 1.932 178.432 176.600 -0.166 0.000 1.007 532 E CA 0.249 56.473 56.400 -0.292 0.000 0.849 532 E CB -0.243 29.107 29.700 -0.584 0.000 0.774 532 E HN 0.361 nan 8.360 nan 0.000 0.506 533 N N 1.013 119.550 118.700 -0.272 0.000 2.520 533 N HA -0.105 4.625 4.740 -0.016 0.000 0.185 533 N C 1.714 177.119 175.510 -0.174 0.000 1.068 533 N CA 0.978 53.826 53.050 -0.335 0.000 0.911 533 N CB -0.244 37.704 38.487 -0.899 0.000 0.961 533 N HN 0.183 nan 8.380 nan 0.000 0.446 534 S N 0.716 116.309 115.700 -0.179 0.000 2.419 534 S HA -0.107 4.354 4.470 -0.016 0.000 0.235 534 S C 1.829 176.237 174.600 -0.320 0.000 1.019 534 S CA 0.640 58.691 58.200 -0.249 0.000 0.982 534 S CB -0.182 62.861 63.200 -0.262 0.000 0.789 534 S HN 0.293 nan 8.310 nan 0.000 0.490 535 R N 0.506 120.922 120.500 -0.141 0.000 2.092 535 R HA 0.088 4.418 4.340 -0.016 0.000 0.231 535 R C 2.259 178.543 176.300 -0.026 0.000 1.119 535 R CA 1.255 57.312 56.100 -0.072 0.000 0.970 535 R CB -0.615 29.768 30.300 0.138 0.000 0.864 535 R HN 0.345 nan 8.270 nan 0.000 0.440 536 V N 1.376 121.299 119.914 0.016 0.000 2.323 536 V HA -0.172 3.938 4.120 -0.016 0.000 0.244 536 V C 2.233 178.355 176.094 0.047 0.000 1.041 536 V CA 1.500 63.834 62.300 0.056 0.000 1.025 536 V CB -0.382 31.507 31.823 0.110 0.000 0.656 536 V HN 0.266 nan 8.190 nan 0.000 0.451 537 L N 0.169 121.374 121.223 -0.031 0.000 2.079 537 L HA -0.246 4.084 4.340 -0.016 0.000 0.210 537 L C 2.572 179.370 176.870 -0.120 0.000 1.081 537 L CA 2.170 56.972 54.840 -0.062 0.000 0.752 537 L CB -0.690 41.334 42.059 -0.058 0.000 0.896 537 L HN 0.497 nan 8.230 nan 0.000 0.433 538 E N -0.041 119.945 120.200 -0.357 0.000 2.085 538 E HA -0.296 4.044 4.350 -0.016 0.000 0.194 538 E C 2.142 178.788 176.600 0.077 0.000 0.994 538 E CA 1.642 57.801 56.400 -0.402 0.000 0.801 538 E CB -0.293 29.065 29.700 -0.570 0.000 0.743 538 E HN 0.475 nan 8.360 nan 0.000 0.453 539 W N 0.959 122.212 121.300 -0.078 0.000 2.358 539 W HA -0.150 4.501 4.660 -0.015 0.000 0.303 539 W C 2.094 178.609 176.519 -0.006 0.000 1.208 539 W CA 1.929 59.267 57.345 -0.011 0.000 1.274 539 W CB -0.174 29.267 29.460 -0.031 0.000 1.138 539 W HN 0.079 nan 8.180 nan 0.000 0.515 540 M N -0.984 118.546 119.600 -0.116 0.000 2.117 540 M HA -0.184 4.287 4.480 -0.016 0.000 0.262 540 M C 2.121 178.352 176.300 -0.114 0.000 1.065 540 M CA 1.740 56.743 55.300 -0.495 0.000 1.114 540 M CB -0.986 31.176 32.600 -0.730 0.000 1.361 540 M HN 0.025 nan 8.290 nan 0.000 0.408 541 F N 0.968 120.874 119.950 -0.073 0.000 2.069 541 F HA -0.140 4.377 4.527 -0.017 0.000 0.298 541 F C 2.338 178.151 175.800 0.022 0.000 1.113 541 F CA 1.991 60.029 58.000 0.064 0.000 1.214 541 F CB -0.933 38.224 39.000 0.262 0.000 0.978 541 F HN 0.106 nan 8.300 nan 0.000 0.474 542 G N 0.058 109.026 108.800 0.281 0.000 2.440 542 G HA2 -0.246 3.704 3.960 -0.016 0.000 0.218 542 G HA3 -0.246 3.704 3.960 -0.016 0.000 0.218 542 G C 1.860 176.721 174.900 -0.065 0.000 1.154 542 G CA 0.588 45.758 45.100 0.115 0.000 0.767 542 G HN 0.165 nan 8.290 nan 0.000 0.552 543 R N 0.167 120.518 120.500 -0.248 0.000 2.096 543 R HA 0.063 4.394 4.340 -0.016 0.000 0.235 543 R C 2.606 178.857 176.300 -0.082 0.000 1.127 543 R CA 0.689 56.633 56.100 -0.260 0.000 0.968 543 R CB -0.788 29.256 30.300 -0.427 0.000 0.861 543 R HN 0.462 nan 8.270 nan 0.000 0.440 544 I N 1.051 121.609 120.570 -0.020 0.000 2.286 544 I HA -0.235 3.925 4.170 -0.016 0.000 0.248 544 I C 1.823 177.909 176.117 -0.053 0.000 1.115 544 I CA 1.363 62.647 61.300 -0.026 0.000 1.392 544 I CB -0.242 37.717 38.000 -0.068 0.000 1.065 544 I HN 0.191 nan 8.210 nan 0.000 0.418 545 E N 0.427 120.601 120.200 -0.043 0.000 2.418 545 E HA -0.028 4.312 4.350 -0.016 0.000 0.197 545 E C 1.429 178.024 176.600 -0.008 0.000 1.026 545 E CA 0.634 57.029 56.400 -0.008 0.000 0.862 545 E CB 0.064 29.802 29.700 0.063 0.000 0.799 545 E HN 0.640 nan 8.360 nan 0.000 0.518 546 G N 2.440 111.222 108.800 -0.031 0.000 2.144 546 G HA2 -0.299 3.651 3.960 -0.016 0.000 0.218 546 G HA3 -0.299 3.651 3.960 -0.016 0.000 0.218 546 G C -0.008 174.869 174.900 -0.038 0.000 0.988 546 G CA 0.178 45.255 45.100 -0.039 0.000 0.659 546 G HN 0.337 nan 8.290 nan 0.000 0.522 547 E N 0.527 120.705 120.200 -0.037 0.000 2.413 547 E HA 0.256 4.596 4.350 -0.016 0.000 0.263 547 E C -0.118 176.462 176.600 -0.034 0.000 1.015 547 E CA -0.184 56.204 56.400 -0.020 0.000 0.916 547 E CB 0.336 30.033 29.700 -0.006 0.000 0.947 547 E HN 0.086 nan 8.360 nan 0.000 0.440 548 D N 2.663 123.062 120.400 -0.001 0.000 2.688 548 D HA 0.030 4.660 4.640 -0.016 0.000 0.228 548 D C -0.248 176.085 176.300 0.055 0.000 1.116 548 D CA 0.049 54.055 54.000 0.009 0.000 1.023 548 D CB -0.373 40.438 40.800 0.018 0.000 1.100 548 D HN 0.315 nan 8.370 nan 0.000 0.487 549 S N -0.187 115.562 115.700 0.081 0.000 2.663 549 S HA 0.565 5.026 4.470 -0.016 0.000 0.243 549 S C 0.420 175.268 174.600 0.414 0.000 1.009 549 S CA -0.650 57.686 58.200 0.228 0.000 0.988 549 S CB 0.673 64.026 63.200 0.255 0.000 0.896 549 S HN 0.278 nan 8.310 nan 0.000 0.502 550 A N 1.541 124.530 122.820 0.281 0.000 2.355 550 A HA 0.793 5.104 4.320 -0.016 0.000 0.324 550 A C -0.513 177.235 177.584 0.273 0.000 1.117 550 A CA -0.796 51.471 52.037 0.384 0.000 0.785 550 A CB 1.520 20.659 19.000 0.231 0.000 1.254 550 A HN 0.381 nan 8.150 nan 0.000 0.453 551 K N 1.968 122.552 120.400 0.306 0.000 2.324 551 K HA 0.570 4.881 4.320 -0.016 0.000 0.253 551 K C -1.333 175.451 176.600 0.308 0.000 0.932 551 K CA -0.725 55.701 56.287 0.231 0.000 0.799 551 K CB 1.464 34.026 32.500 0.103 0.000 1.154 551 K HN 0.620 nan 8.250 nan 0.000 0.425 552 L N 3.751 125.122 121.223 0.247 0.000 2.367 552 L HA 0.309 4.639 4.340 -0.016 0.000 0.275 552 L C -0.361 176.479 176.870 -0.051 0.000 1.129 552 L CA 0.879 55.744 54.840 0.041 0.000 0.839 552 L CB 0.983 43.049 42.059 0.012 0.000 1.133 552 L HN 0.888 nan 8.230 nan 0.000 0.453 553 T N 1.318 115.786 114.554 -0.142 0.000 2.864 553 T HA 0.596 4.936 4.350 -0.016 0.000 0.289 553 T C -2.199 172.351 174.700 -0.250 0.000 1.082 553 T CA -1.470 60.531 62.100 -0.166 0.000 1.009 553 T CB 1.498 70.268 68.868 -0.163 0.000 1.234 553 T HN 0.385 nan 8.240 nan 0.000 0.526 554 P HA 0.104 nan 4.420 nan 0.000 0.222 554 P C 1.414 178.474 177.300 -0.400 0.000 1.147 554 P CA 0.659 63.578 63.100 -0.303 0.000 0.790 554 P CB -0.220 31.316 31.700 -0.273 0.000 0.780 555 I N -5.984 114.269 120.570 -0.529 0.000 3.860 555 I HA 0.430 4.590 4.170 -0.016 0.000 0.319 555 I C 0.795 176.710 176.117 -0.336 0.000 1.279 555 I CA 0.119 61.037 61.300 -0.636 0.000 1.220 555 I CB -0.018 37.236 38.000 -1.242 0.000 1.027 555 I HN -0.071 nan 8.210 nan 0.000 0.428 556 G N 0.445 109.100 108.800 -0.241 0.000 2.346 556 G HA2 0.045 3.995 3.960 -0.016 0.000 0.294 556 G HA3 0.045 3.995 3.960 -0.016 0.000 0.294 556 G C -1.586 173.274 174.900 -0.066 0.000 1.294 556 G CA -0.927 44.156 45.100 -0.029 0.000 0.962 556 G HN 0.151 nan 8.290 nan 0.000 0.508 557 Y N -0.023 120.446 120.300 0.281 0.000 2.299 557 Y HA 0.503 5.043 4.550 -0.016 0.000 0.326 557 Y C 1.262 177.387 175.900 0.375 0.000 1.164 557 Y CA 0.194 58.472 58.100 0.296 0.000 1.234 557 Y CB 1.594 40.264 38.460 0.350 0.000 1.219 557 Y HN 0.686 nan 8.280 nan 0.000 0.497 558 V N 0.490 120.633 119.914 0.381 0.000 3.158 558 V HA 0.714 4.824 4.120 -0.016 0.000 0.315 558 V C -2.966 173.088 176.094 -0.067 0.000 1.148 558 V CA -3.542 58.830 62.300 0.120 0.000 1.042 558 V CB 1.836 33.692 31.823 0.054 0.000 1.101 558 V HN 0.434 nan 8.190 nan 0.000 0.448 559 P HA 0.241 nan 4.420 nan 0.000 0.268 559 P C -0.572 176.563 177.300 -0.274 0.000 1.205 559 P CA -0.056 62.673 63.100 -0.618 0.000 0.771 559 P CB 0.247 31.247 31.700 -1.167 0.000 0.858 560 K N 2.049 122.433 120.400 -0.026 0.000 2.397 560 K HA 0.000 4.311 4.320 -0.016 0.000 0.265 560 K C 0.625 177.149 176.600 -0.126 0.000 0.982 560 K CA -0.013 56.252 56.287 -0.037 0.000 0.931 560 K CB 0.191 32.720 32.500 0.048 0.000 0.943 560 K HN 0.549 nan 8.250 nan 0.000 0.501 561 E N 1.846 121.986 120.200 -0.100 0.000 2.452 561 E HA -0.168 4.172 4.350 -0.016 0.000 0.261 561 E C -0.621 175.942 176.600 -0.062 0.000 0.987 561 E CA -0.131 56.208 56.400 -0.101 0.000 0.926 561 E CB 0.227 29.893 29.700 -0.057 0.000 0.934 561 E HN 0.521 nan 8.360 nan 0.000 0.452 562 D N 1.289 121.651 120.400 -0.064 0.000 2.946 562 D HA -0.295 4.336 4.640 -0.016 0.000 0.202 562 D C 0.993 177.293 176.300 0.000 0.000 1.068 562 D CA 1.441 55.429 54.000 -0.021 0.000 1.011 562 D CB -1.401 39.400 40.800 0.001 0.000 1.105 562 D HN 0.602 nan 8.370 nan 0.000 0.425 563 A N 0.282 123.092 122.820 -0.017 0.000 1.929 563 A HA 0.122 4.432 4.320 -0.016 0.000 0.216 563 A C 1.328 178.958 177.584 0.078 0.000 1.176 563 A CA 0.472 52.550 52.037 0.067 0.000 0.628 563 A CB 0.029 19.105 19.000 0.125 0.000 0.816 563 A HN 0.310 nan 8.150 nan 0.000 0.444 564 L N 1.031 122.232 121.223 -0.038 0.000 2.397 564 L HA 0.125 4.456 4.340 -0.016 0.000 0.271 564 L C 0.079 176.977 176.870 0.047 0.000 1.148 564 L CA -0.590 54.249 54.840 -0.002 0.000 0.825 564 L CB 0.409 42.426 42.059 -0.068 0.000 1.117 564 L HN 0.284 nan 8.230 nan 0.000 0.456 565 N N 4.012 122.753 118.700 0.068 0.000 2.401 565 N HA 0.133 4.863 4.740 -0.016 0.000 0.255 565 N C -0.114 175.442 175.510 0.077 0.000 1.110 565 N CA 0.115 53.203 53.050 0.063 0.000 0.949 565 N CB 0.676 39.195 38.487 0.053 0.000 1.110 565 N HN 0.541 nan 8.380 nan 0.000 0.490 566 L N 2.657 123.924 121.223 0.072 0.000 2.965 566 L HA 0.253 4.584 4.340 -0.016 0.000 0.254 566 L C 0.384 177.277 176.870 0.037 0.000 1.220 566 L CA -0.241 54.648 54.840 0.082 0.000 1.023 566 L CB 0.055 42.178 42.059 0.107 0.000 1.355 566 L HN 0.253 nan 8.230 nan 0.000 0.545 567 K N 0.743 121.159 120.400 0.026 0.000 2.416 567 K HA 0.330 4.641 4.320 -0.016 0.000 0.283 567 K C 1.173 177.768 176.600 -0.008 0.000 1.037 567 K CA 0.759 57.053 56.287 0.012 0.000 0.995 567 K CB 0.678 33.188 32.500 0.017 0.000 0.938 567 K HN 0.254 nan 8.250 nan 0.000 0.475 568 G N 2.452 111.242 108.800 -0.016 0.000 2.195 568 G HA2 -0.253 3.697 3.960 -0.016 0.000 0.246 568 G HA3 -0.253 3.697 3.960 -0.016 0.000 0.246 568 G C 0.215 175.082 174.900 -0.055 0.000 0.984 568 G CA -0.278 44.801 45.100 -0.035 0.000 0.633 568 G HN 0.538 nan 8.290 nan 0.000 0.525 569 L N 1.489 122.683 121.223 -0.048 0.000 2.999 569 L HA 0.442 4.773 4.340 -0.016 0.000 0.263 569 L C 1.995 178.857 176.870 -0.013 0.000 1.320 569 L CA 0.160 54.964 54.840 -0.062 0.000 0.913 569 L CB 0.462 42.460 42.059 -0.102 0.000 1.296 569 L HN 0.181 nan 8.230 nan 0.000 0.546 570 G N 0.243 109.039 108.800 -0.008 0.000 2.470 570 G HA2 -0.236 3.714 3.960 -0.016 0.000 0.220 570 G HA3 -0.236 3.714 3.960 -0.016 0.000 0.220 570 G C 1.031 175.940 174.900 0.015 0.000 1.121 570 G CA 0.854 45.959 45.100 0.009 0.000 0.766 570 G HN 0.628 nan 8.290 nan 0.000 0.553 571 D N 0.163 120.565 120.400 0.005 0.000 2.340 571 D HA 0.022 4.653 4.640 -0.016 0.000 0.220 571 D C 0.861 177.178 176.300 0.028 0.000 1.039 571 D CA -0.259 53.748 54.000 0.011 0.000 0.866 571 D CB -0.359 40.440 40.800 -0.002 0.000 0.913 571 D HN 0.107 nan 8.370 nan 0.000 0.523 572 V N 1.866 121.807 119.914 0.045 0.000 2.572 572 V HA -0.013 4.097 4.120 -0.016 0.000 0.291 572 V C 0.608 176.767 176.094 0.110 0.000 1.039 572 V CA -0.453 61.904 62.300 0.097 0.000 1.055 572 V CB 0.651 32.577 31.823 0.171 0.000 0.969 572 V HN 0.167 nan 8.190 nan 0.000 0.482 573 N N 4.676 123.442 118.700 0.110 0.000 2.555 573 N HA 0.070 4.801 4.740 -0.016 0.000 0.244 573 N C 0.847 176.432 175.510 0.124 0.000 1.114 573 N CA -0.041 53.066 53.050 0.095 0.000 0.963 573 N CB 1.198 39.728 38.487 0.072 0.000 1.276 573 N HN 0.515 nan 8.380 nan 0.000 0.510 574 V N 1.026 121.022 119.914 0.136 0.000 2.427 574 V HA -0.061 4.049 4.120 -0.016 0.000 0.248 574 V C 1.843 178.050 176.094 0.189 0.000 1.051 574 V CA 1.189 63.605 62.300 0.193 0.000 1.048 574 V CB -0.381 31.523 31.823 0.134 0.000 0.666 574 V HN 0.401 nan 8.190 nan 0.000 0.456 575 E N 0.494 120.762 120.200 0.113 0.000 2.106 575 E HA -0.211 4.129 4.350 -0.016 0.000 0.192 575 E C 2.246 178.898 176.600 0.087 0.000 0.984 575 E CA 1.744 58.200 56.400 0.093 0.000 0.806 575 E CB -0.043 29.692 29.700 0.058 0.000 0.750 575 E HN 0.825 nan 8.360 nan 0.000 0.458 576 E N 0.470 120.711 120.200 0.070 0.000 2.046 576 E HA -0.067 4.273 4.350 -0.016 0.000 0.190 576 E C 2.276 178.885 176.600 0.015 0.000 0.982 576 E CA 0.267 56.691 56.400 0.039 0.000 0.800 576 E CB 0.027 29.747 29.700 0.034 0.000 0.756 576 E HN 0.126 nan 8.360 nan 0.000 0.449 577 L N -0.269 120.967 121.223 0.022 0.000 2.131 577 L HA -0.135 4.195 4.340 -0.016 0.000 0.210 577 L C 1.240 177.931 176.870 -0.298 0.000 1.092 577 L CA 1.098 55.869 54.840 -0.114 0.000 0.759 577 L CB 0.034 42.041 42.059 -0.087 0.000 0.903 577 L HN 0.201 nan 8.230 nan 0.000 0.435 578 F N -0.732 119.195 119.950 -0.039 0.000 2.678 578 F HA 0.251 4.771 4.527 -0.012 0.000 0.305 578 F C 1.521 177.302 175.800 -0.032 0.000 1.090 578 F CA -0.358 57.611 58.000 -0.052 0.000 1.272 578 F CB 0.003 38.956 39.000 -0.080 0.000 1.060 578 F HN -0.091 nan 8.300 nan 0.000 0.576 579 G N 1.472 110.331 108.800 0.099 0.000 2.380 579 G HA2 0.362 4.313 3.960 -0.016 0.000 0.242 579 G HA3 0.362 4.313 3.960 -0.016 0.000 0.242 579 G C -0.448 174.494 174.900 0.071 0.000 1.298 579 G CA -0.127 45.017 45.100 0.072 0.000 0.878 579 G HN 0.187 nan 8.290 nan 0.000 0.542 580 I N 1.523 122.141 120.570 0.079 0.000 2.410 580 I HA 0.249 4.410 4.170 -0.016 0.000 0.286 580 I C 0.186 176.402 176.117 0.165 0.000 1.009 580 I CA -0.512 60.859 61.300 0.119 0.000 1.111 580 I CB 2.046 40.010 38.000 -0.061 0.000 1.262 580 I HN 0.475 nan 8.210 nan 0.000 0.443 581 S N 5.948 121.835 115.700 0.312 0.000 2.437 581 S HA 0.280 4.741 4.470 -0.016 0.000 0.305 581 S C 0.948 175.757 174.600 0.348 0.000 1.109 581 S CA -0.657 57.699 58.200 0.258 0.000 1.099 581 S CB 1.493 64.818 63.200 0.208 0.000 1.004 581 S HN 0.759 nan 8.310 nan 0.000 0.475 582 K N 2.990 123.515 120.400 0.209 0.000 2.063 582 K HA -0.154 4.156 4.320 -0.016 0.000 0.208 582 K C 1.282 177.992 176.600 0.183 0.000 1.048 582 K CA 1.911 58.309 56.287 0.184 0.000 0.928 582 K CB -0.168 32.391 32.500 0.097 0.000 0.713 582 K HN 0.657 nan 8.250 nan 0.000 0.442 583 E N -0.040 120.247 120.200 0.145 0.000 2.110 583 E HA -0.154 4.186 4.350 -0.016 0.000 0.193 583 E C 1.536 178.185 176.600 0.082 0.000 0.988 583 E CA 1.072 57.529 56.400 0.095 0.000 0.804 583 E CB -0.283 29.460 29.700 0.071 0.000 0.745 583 E HN 0.387 nan 8.360 nan 0.000 0.458 584 F N -1.236 118.714 119.950 0.000 0.000 2.113 584 F HA -0.141 4.372 4.527 -0.023 0.000 0.297 584 F C 1.575 177.242 175.800 -0.221 0.000 1.103 584 F CA 1.403 59.319 58.000 -0.140 0.000 1.248 584 F CB -0.262 38.615 39.000 -0.206 0.000 0.999 584 F HN 0.042 nan 8.300 nan 0.000 0.475 585 W N 1.150 122.513 121.300 0.105 0.000 2.518 585 W HA 0.001 4.656 4.660 -0.008 0.000 0.273 585 W C 2.342 178.815 176.519 -0.076 0.000 1.247 585 W CA 1.115 58.469 57.345 0.015 0.000 1.288 585 W CB -0.406 29.115 29.460 0.101 0.000 1.107 585 W HN 0.045 nan 8.180 nan 0.000 0.586 586 E N 0.519 120.787 120.200 0.114 0.000 2.058 586 E HA -0.239 4.102 4.350 -0.016 0.000 0.194 586 E C 1.958 178.523 176.600 -0.058 0.000 0.997 586 E CA 1.388 57.809 56.400 0.034 0.000 0.801 586 E CB -0.237 29.476 29.700 0.023 0.000 0.746 586 E HN 0.278 nan 8.360 nan 0.000 0.450 587 K N 0.462 120.763 120.400 -0.165 0.000 2.097 587 K HA -0.190 4.120 4.320 -0.016 0.000 0.206 587 K C 2.178 178.597 176.600 -0.301 0.000 1.049 587 K CA 1.194 57.341 56.287 -0.234 0.000 0.933 587 K CB -0.030 32.277 32.500 -0.321 0.000 0.717 587 K HN -0.024 nan 8.250 nan 0.000 0.442 588 E N 0.845 120.761 120.200 -0.473 0.000 2.072 588 E HA -0.146 4.194 4.350 -0.016 0.000 0.191 588 E C 1.817 178.339 176.600 -0.130 0.000 0.985 588 E CA 1.330 57.444 56.400 -0.476 0.000 0.801 588 E CB 0.008 29.218 29.700 -0.817 0.000 0.750 588 E HN 0.170 nan 8.360 nan 0.000 0.452 589 V N -0.665 119.258 119.914 0.015 0.000 2.548 589 V HA -0.117 3.994 4.120 -0.016 0.000 0.249 589 V C 2.239 178.376 176.094 0.072 0.000 1.055 589 V CA 1.873 64.246 62.300 0.122 0.000 1.065 589 V CB -0.737 31.177 31.823 0.152 0.000 0.681 589 V HN 0.154 nan 8.190 nan 0.000 0.462 590 E N 1.114 121.321 120.200 0.012 0.000 2.051 590 E HA -0.233 4.107 4.350 -0.016 0.000 0.192 590 E C 2.283 178.894 176.600 0.019 0.000 0.991 590 E CA 1.770 58.174 56.400 0.007 0.000 0.799 590 E CB -0.494 29.194 29.700 -0.021 0.000 0.748 590 E HN 0.666 nan 8.360 nan 0.000 0.449 591 E N 0.291 120.485 120.200 -0.009 0.000 2.077 591 E HA -0.159 4.181 4.350 -0.016 0.000 0.193 591 E C 2.208 178.881 176.600 0.122 0.000 0.989 591 E CA 1.310 57.726 56.400 0.027 0.000 0.800 591 E CB -0.230 29.443 29.700 -0.045 0.000 0.746 591 E HN 0.434 nan 8.360 nan 0.000 0.452 592 I N 1.212 121.864 120.570 0.136 0.000 2.226 592 I HA -0.248 3.913 4.170 -0.016 0.000 0.245 592 I C 2.434 178.676 176.117 0.208 0.000 1.100 592 I CA 1.245 62.676 61.300 0.219 0.000 1.374 592 I CB -0.327 37.810 38.000 0.228 0.000 1.057 592 I HN 0.072 nan 8.210 nan 0.000 0.413 593 D N 1.557 122.049 120.400 0.154 0.000 2.092 593 D HA -0.212 4.419 4.640 -0.016 0.000 0.193 593 D C 2.112 178.456 176.300 0.073 0.000 0.994 593 D CA 1.668 55.733 54.000 0.108 0.000 0.828 593 D CB 0.007 40.848 40.800 0.069 0.000 0.963 593 D HN 0.194 nan 8.370 nan 0.000 0.450 594 K N -1.099 119.341 120.400 0.067 0.000 2.147 594 K HA -0.185 4.125 4.320 -0.016 0.000 0.205 594 K C 2.264 178.887 176.600 0.039 0.000 1.049 594 K CA 1.077 57.389 56.287 0.041 0.000 0.936 594 K CB -0.324 32.198 32.500 0.038 0.000 0.722 594 K HN 0.304 nan 8.250 nan 0.000 0.446 595 Y N 1.482 121.729 120.300 -0.088 0.000 2.184 595 Y HA -0.120 4.422 4.550 -0.013 0.000 0.290 595 Y C 1.707 177.517 175.900 -0.150 0.000 1.129 595 Y CA 1.218 59.191 58.100 -0.211 0.000 1.144 595 Y CB -0.142 37.987 38.460 -0.552 0.000 0.995 595 Y HN -0.110 nan 8.280 nan 0.000 0.513 596 L N 0.061 121.230 121.223 -0.090 0.000 2.093 596 L HA -0.133 4.198 4.340 -0.016 0.000 0.208 596 L C 2.462 179.240 176.870 -0.154 0.000 1.085 596 L CA 1.588 56.334 54.840 -0.157 0.000 0.755 596 L CB -0.575 41.511 42.059 0.046 0.000 0.904 596 L HN 0.190 nan 8.230 nan 0.000 0.435 597 E N 0.697 120.846 120.200 -0.085 0.000 2.077 597 E HA -0.266 4.074 4.350 -0.016 0.000 0.193 597 E C 1.691 178.227 176.600 -0.106 0.000 0.989 597 E CA 1.780 58.136 56.400 -0.074 0.000 0.800 597 E CB -0.109 29.567 29.700 -0.039 0.000 0.746 597 E HN 0.403 nan 8.360 nan 0.000 0.452 598 D N -0.930 119.392 120.400 -0.131 0.000 2.084 598 D HA -0.130 4.500 4.640 -0.016 0.000 0.196 598 D C 1.747 177.939 176.300 -0.180 0.000 0.985 598 D CA 1.220 55.142 54.000 -0.129 0.000 0.826 598 D CB -0.014 40.720 40.800 -0.109 0.000 0.978 598 D HN 0.087 nan 8.370 nan 0.000 0.456 599 Q N -0.596 119.016 119.800 -0.315 0.000 2.354 599 Q HA 0.078 4.408 4.340 -0.016 0.000 0.203 599 Q C 1.965 177.821 176.000 -0.240 0.000 0.933 599 Q CA 0.488 56.086 55.803 -0.341 0.000 0.901 599 Q CB 0.970 29.320 28.738 -0.646 0.000 1.007 599 Q HN 0.326 nan 8.270 nan 0.000 0.495 600 V N 0.578 120.361 119.914 -0.219 0.000 3.219 600 V HA -0.049 4.062 4.120 -0.016 0.000 0.240 600 V C 0.987 177.012 176.094 -0.116 0.000 1.222 600 V CA 0.725 62.941 62.300 -0.141 0.000 1.181 600 V CB -0.564 31.179 31.823 -0.134 0.000 0.941 600 V HN 0.402 nan 8.190 nan 0.000 0.471 601 N N 2.939 121.575 118.700 -0.107 0.000 1.238 601 N HA -0.442 4.289 4.740 -0.016 0.000 0.139 601 N C 1.342 176.816 175.510 -0.060 0.000 0.512 601 N CA 2.300 55.304 53.050 -0.076 0.000 1.011 601 N CB -1.774 36.670 38.487 -0.073 0.000 1.386 601 N HN 0.499 nan 8.380 nan 0.000 0.471 602 A N -1.271 121.517 122.820 -0.054 0.000 2.125 602 A HA -0.085 4.225 4.320 -0.016 0.000 0.219 602 A C 1.349 178.909 177.584 -0.039 0.000 1.156 602 A CA 1.950 53.964 52.037 -0.039 0.000 0.671 602 A CB -0.523 18.454 19.000 -0.038 0.000 0.794 602 A HN 0.633 nan 8.150 nan 0.000 0.459 603 D N -0.979 119.385 120.400 -0.060 0.000 2.340 603 D HA 0.137 4.768 4.640 -0.016 0.000 0.217 603 D C -0.075 176.174 176.300 -0.086 0.000 1.081 603 D CA -0.152 53.807 54.000 -0.067 0.000 0.842 603 D CB 0.131 40.881 40.800 -0.085 0.000 0.934 603 D HN 0.325 nan 8.370 nan 0.000 0.511 604 L N 2.542 123.720 121.223 -0.075 0.000 2.433 604 L HA 0.245 4.575 4.340 -0.016 0.000 0.275 604 L C -2.353 174.507 176.870 -0.017 0.000 1.128 604 L CA -1.264 53.531 54.840 -0.075 0.000 0.875 604 L CB 0.409 42.435 42.059 -0.055 0.000 1.171 604 L HN -0.285 nan 8.230 nan 0.000 0.463 605 P HA -0.009 nan 4.420 nan 0.000 0.268 605 P C 0.028 177.403 177.300 0.124 0.000 1.205 605 P CA 0.111 63.252 63.100 0.068 0.000 0.771 605 P CB 0.318 32.060 31.700 0.070 0.000 0.858 606 Y N 2.808 123.121 120.300 0.023 0.000 2.151 606 Y HA -0.340 4.201 4.550 -0.015 0.000 0.284 606 Y C 1.872 177.798 175.900 0.044 0.000 1.166 606 Y CA 1.937 60.053 58.100 0.027 0.000 1.163 606 Y CB -0.163 38.311 38.460 0.024 0.000 0.974 606 Y HN 0.413 nan 8.280 nan 0.000 0.511 607 E N -0.112 120.260 120.200 0.287 0.000 2.130 607 E HA -0.228 4.112 4.350 -0.016 0.000 0.196 607 E C 1.966 178.640 176.600 0.122 0.000 0.998 607 E CA 1.690 58.216 56.400 0.210 0.000 0.806 607 E CB -0.230 29.601 29.700 0.218 0.000 0.738 607 E HN 0.463 nan 8.360 nan 0.000 0.459 608 I N 0.502 121.144 120.570 0.118 0.000 2.406 608 I HA -0.124 4.036 4.170 -0.016 0.000 0.249 608 I C 2.373 178.553 176.117 0.105 0.000 1.122 608 I CA 1.043 62.439 61.300 0.161 0.000 1.431 608 I CB -0.993 37.102 38.000 0.158 0.000 1.087 608 I HN 0.134 nan 8.210 nan 0.000 0.424 609 E N 1.817 122.020 120.200 0.005 0.000 2.085 609 E HA -0.263 4.077 4.350 -0.016 0.000 0.194 609 E C 2.358 178.865 176.600 -0.154 0.000 0.994 609 E CA 1.521 57.875 56.400 -0.076 0.000 0.801 609 E CB -0.277 29.325 29.700 -0.164 0.000 0.743 609 E HN 0.299 nan 8.360 nan 0.000 0.453 610 R N 0.067 120.448 120.500 -0.199 0.000 2.073 610 R HA -0.153 4.177 4.340 -0.016 0.000 0.234 610 R C 2.069 178.271 176.300 -0.164 0.000 1.134 610 R CA 1.724 57.713 56.100 -0.185 0.000 0.952 610 R CB -0.130 30.107 30.300 -0.105 0.000 0.850 610 R HN 0.164 nan 8.270 nan 0.000 0.433 611 E N 0.722 120.825 120.200 -0.161 0.000 2.110 611 E HA -0.207 4.133 4.350 -0.016 0.000 0.193 611 E C 1.960 178.183 176.600 -0.628 0.000 0.988 611 E CA 0.893 57.090 56.400 -0.338 0.000 0.804 611 E CB -0.337 29.187 29.700 -0.293 0.000 0.745 611 E HN 0.283 nan 8.360 nan 0.000 0.458 612 L N 1.305 122.223 121.223 -0.508 0.000 2.046 612 L HA -0.161 4.169 4.340 -0.016 0.000 0.208 612 L C 2.281 179.025 176.870 -0.211 0.000 1.077 612 L CA 1.748 56.384 54.840 -0.340 0.000 0.747 612 L CB -0.215 41.851 42.059 0.012 0.000 0.896 612 L HN -0.076 nan 8.230 nan 0.000 0.432 613 R N -0.691 119.706 120.500 -0.172 0.000 2.092 613 R HA -0.069 4.262 4.340 -0.016 0.000 0.231 613 R C 2.268 178.484 176.300 -0.140 0.000 1.119 613 R CA 1.192 57.215 56.100 -0.128 0.000 0.970 613 R CB -0.573 29.654 30.300 -0.121 0.000 0.864 613 R HN 0.549 nan 8.270 nan 0.000 0.440 614 A N 1.129 123.839 122.820 -0.183 0.000 1.898 614 A HA -0.151 4.159 4.320 -0.016 0.000 0.216 614 A C 2.044 179.507 177.584 -0.202 0.000 1.181 614 A CA 1.032 52.961 52.037 -0.181 0.000 0.620 614 A CB -0.448 18.433 19.000 -0.197 0.000 0.819 614 A HN 0.241 nan 8.150 nan 0.000 0.442 615 L N 0.085 121.152 121.223 -0.260 0.000 2.046 615 L HA -0.105 4.226 4.340 -0.016 0.000 0.208 615 L C 2.243 179.050 176.870 -0.104 0.000 1.077 615 L CA 2.626 57.343 54.840 -0.205 0.000 0.747 615 L CB -0.627 41.311 42.059 -0.202 0.000 0.896 615 L HN 0.454 nan 8.230 nan 0.000 0.432 616 K N -1.003 119.351 120.400 -0.078 0.000 2.103 616 K HA -0.286 4.024 4.320 -0.016 0.000 0.207 616 K C 2.231 178.805 176.600 -0.043 0.000 1.048 616 K CA 1.834 58.103 56.287 -0.031 0.000 0.930 616 K CB -0.094 32.391 32.500 -0.026 0.000 0.716 616 K HN 0.416 nan 8.250 nan 0.000 0.444 617 Q N 0.815 120.573 119.800 -0.069 0.000 2.046 617 Q HA -0.091 4.240 4.340 -0.016 0.000 0.200 617 Q C 1.883 177.842 176.000 -0.069 0.000 0.975 617 Q CA 1.616 57.381 55.803 -0.064 0.000 0.836 617 Q CB 0.061 28.756 28.738 -0.072 0.000 0.896 617 Q HN 0.262 nan 8.270 nan 0.000 0.428 618 R N -0.369 120.071 120.500 -0.098 0.000 2.081 618 R HA -0.067 4.263 4.340 -0.016 0.000 0.235 618 R C 2.325 178.573 176.300 -0.087 0.000 1.131 618 R CA 1.539 57.573 56.100 -0.110 0.000 0.960 618 R CB -0.404 29.798 30.300 -0.163 0.000 0.856 618 R HN 0.341 nan 8.270 nan 0.000 0.436 619 I N 0.879 121.409 120.570 -0.067 0.000 2.315 619 I HA -0.265 3.895 4.170 -0.016 0.000 0.248 619 I C 2.550 178.663 176.117 -0.006 0.000 1.117 619 I CA 1.427 62.713 61.300 -0.024 0.000 1.404 619 I CB -0.318 37.707 38.000 0.041 0.000 1.071 619 I HN 0.218 nan 8.210 nan 0.000 0.419 620 S N 0.266 115.958 115.700 -0.012 0.000 2.442 620 S HA -0.193 4.268 4.470 -0.016 0.000 0.236 620 S C 1.785 176.377 174.600 -0.013 0.000 1.007 620 S CA 0.864 59.059 58.200 -0.008 0.000 0.965 620 S CB -0.237 62.954 63.200 -0.013 0.000 0.773 620 S HN 0.435 nan 8.310 nan 0.000 0.504 621 Q N 0.374 120.159 119.800 -0.025 0.000 2.403 621 Q HA 0.351 4.681 4.340 -0.016 0.000 0.203 621 Q C 0.704 176.690 176.000 -0.023 0.000 0.932 621 Q CA 0.036 55.823 55.803 -0.026 0.000 0.945 621 Q CB -0.276 28.441 28.738 -0.036 0.000 1.045 621 Q HN 0.664 nan 8.270 nan 0.000 0.511 622 M N 0.000 119.588 119.600 -0.020 0.000 2.572 622 M HA 0.000 4.470 4.480 -0.016 0.000 0.227 622 M CA 0.000 55.293 55.300 -0.012 0.000 0.988 622 M CB 0.000 32.599 32.600 -0.001 0.000 1.302 622 M HN 0.000 nan 8.290 nan 0.000 0.411