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 3tf4_1_A DATA FIRST_RESID 1 DATA SEQUENCE EPAFNYAEAL QKSMFFYEAQ RSGKLPENNR VSWRGDSGLN DGADVGLDLT DATA SEQUENCE GGWYDAGDHV KFGFPMAFTA TMLAWGAIES PEGYIRSGQM PYLKDNLRWV DATA SEQUENCE NDYFIKAHPS PNVLYVQVGD GDADHKWWGP AEVMPMERPS FKVDPScPGS DATA SEQUENCE DVAAETAAAM AASSIVFADD DPAYAATLVQ HAKQLYTFAD TYRGVYSDcV DATA SEQUENCE PAGAFYNSWS GYQDELVWGA YWLYKATGDD SYLAKAEYEY DFLSTEQQTD DATA SEQUENCE LRSYRWTIAW DDKSYGTYVL LAKETGKQKY IDDANRWLDY WTVGVNGQRV DATA SEQUENCE PYSPGGMAVL DTWGALRYAA NTAFVALVYA KVIDDPVRKQ RYHDFAVRQI DATA SEQUENCE NYALGDNPRN SSYVVGFGNN PPRNPHHRTA HGSWTDSIAS PAENRHVLYG DATA SEQUENCE ALVGGPGSPN DAYTDDRQDY VANEVATDYN AGFSSALAML VEEYGGTPLA DATA SEQUENCE DFPPTEEPDG PEIFVEAQIN TPGTTFTEIK AMIRNQSGWP ARMLDKGTFR DATA SEQUENCE YWFTLDEGVD PADITVSSAY NQcATPEDVH HVSGDLYYVE IDcTGEKIFP DATA SEQUENCE GGQSEHRREV QFRIAGGPGW DPSNDWSFQG IGNELAPAPY IVLYDDGVPV DATA SEQUENCE WGTAP 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 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.583 176.600 -0.029 0.000 1.382 1 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 1 E CB 0.000 29.679 29.700 -0.036 0.000 0.812 2 P HA 0.290 nan 4.420 nan 0.000 0.272 2 P C 0.325 177.462 177.300 -0.271 0.000 1.230 2 P CA -0.254 62.771 63.100 -0.126 0.000 0.788 2 P CB 0.742 32.353 31.700 -0.148 0.000 0.949 3 A N 1.197 123.810 122.820 -0.345 0.000 1.929 3 A HA 0.071 4.390 4.320 -0.001 0.000 0.216 3 A C 0.595 177.630 177.584 -0.915 0.000 1.176 3 A CA 0.930 52.640 52.037 -0.544 0.000 0.628 3 A CB -0.555 18.189 19.000 -0.427 0.000 0.816 3 A HN 0.510 nan 8.150 nan 0.000 0.444 4 F N -1.647 118.041 119.950 -0.437 0.000 2.578 4 F HA 0.364 4.890 4.527 -0.001 0.000 0.311 4 F C 0.008 175.455 175.800 -0.588 0.000 1.094 4 F CA -1.422 56.368 58.000 -0.350 0.000 0.923 4 F CB 1.114 40.023 39.000 -0.152 0.000 1.230 4 F HN -0.057 nan 8.300 nan 0.000 0.450 5 N N 2.117 120.819 118.700 0.004 0.000 2.744 5 N HA -0.035 4.704 4.740 -0.001 0.000 0.290 5 N C 0.605 176.083 175.510 -0.052 0.000 1.206 5 N CA 0.289 53.314 53.050 -0.042 0.000 1.119 5 N CB -0.288 38.257 38.487 0.097 0.000 1.449 5 N HN 0.458 nan 8.380 nan 0.000 0.514 6 Y N 0.850 121.174 120.300 0.040 0.000 2.465 6 Y HA -0.145 4.405 4.550 -0.001 0.000 0.289 6 Y C 2.149 177.953 175.900 -0.159 0.000 1.150 6 Y CA 0.980 59.017 58.100 -0.105 0.000 1.293 6 Y CB -0.646 37.771 38.460 -0.072 0.000 0.977 6 Y HN 0.554 nan 8.280 nan 0.000 0.556 7 A N -0.288 122.549 122.820 0.028 0.000 1.970 7 A HA -0.123 4.196 4.320 -0.001 0.000 0.216 7 A C 2.225 179.763 177.584 -0.077 0.000 1.170 7 A CA 1.214 53.235 52.037 -0.028 0.000 0.645 7 A CB -0.411 18.589 19.000 0.001 0.000 0.816 7 A HN 0.471 nan 8.150 nan 0.000 0.447 8 E N 0.054 120.216 120.200 -0.064 0.000 2.072 8 E HA -0.047 4.302 4.350 -0.001 0.000 0.190 8 E C 2.148 178.626 176.600 -0.203 0.000 0.982 8 E CA 0.796 57.142 56.400 -0.091 0.000 0.803 8 E CB -0.174 29.586 29.700 0.101 0.000 0.755 8 E HN 0.506 nan 8.360 nan 0.000 0.453 9 A N 1.391 123.985 122.820 -0.377 0.000 1.858 9 A HA -0.183 4.136 4.320 -0.001 0.000 0.216 9 A C 2.148 179.565 177.584 -0.277 0.000 1.190 9 A CA 1.329 53.027 52.037 -0.565 0.000 0.617 9 A CB -0.763 17.764 19.000 -0.787 0.000 0.827 9 A HN 0.372 nan 8.150 nan 0.000 0.443 10 L N -0.008 121.067 121.223 -0.246 0.000 2.079 10 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 10 L C 2.533 179.368 176.870 -0.058 0.000 1.081 10 L CA 2.675 57.407 54.840 -0.181 0.000 0.752 10 L CB -0.741 41.172 42.059 -0.243 0.000 0.896 10 L HN 0.643 nan 8.230 nan 0.000 0.433 11 Q N -0.661 119.082 119.800 -0.094 0.000 2.124 11 Q HA -0.229 4.111 4.340 -0.001 0.000 0.202 11 Q C 2.005 177.963 176.000 -0.069 0.000 0.977 11 Q CA 1.680 57.437 55.803 -0.077 0.000 0.850 11 Q CB -0.000 28.614 28.738 -0.206 0.000 0.901 11 Q HN 0.547 nan 8.270 nan 0.000 0.429 12 K N -0.374 119.942 120.400 -0.140 0.000 2.296 12 K HA -0.001 4.318 4.320 -0.001 0.000 0.200 12 K C 2.163 178.936 176.600 0.288 0.000 1.048 12 K CA 0.779 57.092 56.287 0.044 0.000 0.966 12 K CB 0.045 32.543 32.500 -0.003 0.000 0.754 12 K HN 0.034 nan 8.250 nan 0.000 0.466 13 S N 0.770 116.590 115.700 0.200 0.000 2.383 13 S HA -0.048 4.421 4.470 -0.001 0.000 0.227 13 S C 1.865 176.723 174.600 0.429 0.000 1.026 13 S CA 0.890 59.257 58.200 0.278 0.000 0.981 13 S CB 0.045 63.372 63.200 0.211 0.000 0.818 13 S HN 0.145 nan 8.310 nan 0.000 0.472 14 M N -0.021 119.805 119.600 0.375 0.000 2.394 14 M HA 0.070 4.550 4.480 -0.001 0.000 0.264 14 M C 1.748 178.240 176.300 0.321 0.000 1.073 14 M CA 0.811 56.342 55.300 0.385 0.000 1.111 14 M CB -1.255 31.531 32.600 0.311 0.000 1.401 14 M HN 0.479 nan 8.290 nan 0.000 0.448 15 F N 0.595 120.668 119.950 0.205 0.000 2.259 15 F HA -0.186 4.340 4.527 -0.001 0.000 0.298 15 F C 2.108 177.974 175.800 0.111 0.000 1.088 15 F CA 0.873 58.959 58.000 0.145 0.000 1.358 15 F CB -0.313 38.872 39.000 0.309 0.000 1.040 15 F HN 0.025 nan 8.300 nan 0.000 0.505 16 F N 0.529 120.560 119.950 0.135 0.000 2.026 16 F HA -0.286 4.240 4.527 -0.001 0.000 0.296 16 F C 1.974 177.583 175.800 -0.319 0.000 1.133 16 F CA 1.963 59.903 58.000 -0.100 0.000 1.188 16 F CB -1.376 37.507 39.000 -0.195 0.000 0.968 16 F HN -0.003 nan 8.300 nan 0.000 0.476 17 Y N 0.391 120.522 120.300 -0.283 0.000 2.446 17 Y HA -0.211 4.338 4.550 -0.001 0.000 0.287 17 Y C 2.451 178.009 175.900 -0.569 0.000 1.159 17 Y CA 1.719 59.458 58.100 -0.603 0.000 1.297 17 Y CB -0.767 37.434 38.460 -0.432 0.000 0.974 17 Y HN 0.360 nan 8.280 nan 0.000 0.557 18 E N -0.678 119.299 120.200 -0.371 0.000 2.400 18 E HA 0.083 4.433 4.350 -0.001 0.000 0.195 18 E C 1.925 178.152 176.600 -0.623 0.000 1.012 18 E CA 0.513 56.628 56.400 -0.475 0.000 0.875 18 E CB 0.047 29.476 29.700 -0.453 0.000 0.859 18 E HN 0.327 nan 8.360 nan 0.000 0.498 19 A N 0.241 122.646 122.820 -0.692 0.000 2.275 19 A HA 0.054 4.374 4.320 -0.001 0.000 0.212 19 A C 1.608 178.947 177.584 -0.408 0.000 1.201 19 A CA 0.071 51.700 52.037 -0.681 0.000 0.843 19 A CB 0.239 18.825 19.000 -0.690 0.000 0.873 19 A HN 0.114 nan 8.150 nan 0.000 0.492 20 Q N -0.091 119.447 119.800 -0.437 0.000 2.282 20 Q HA 0.152 4.491 4.340 -0.001 0.000 0.206 20 Q C 0.097 176.051 176.000 -0.077 0.000 0.878 20 Q CA 0.015 55.683 55.803 -0.225 0.000 0.944 20 Q CB 0.408 28.848 28.738 -0.497 0.000 1.100 20 Q HN 0.593 nan 8.270 nan 0.000 0.509 21 R N 0.563 120.950 120.500 -0.189 0.000 2.734 21 R HA 0.217 4.556 4.340 -0.001 0.000 0.266 21 R C 0.202 176.426 176.300 -0.127 0.000 1.044 21 R CA 0.375 56.375 56.100 -0.167 0.000 1.128 21 R CB 0.562 30.463 30.300 -0.664 0.000 1.010 21 R HN -0.090 nan 8.270 nan 0.000 0.461 22 S N -0.380 115.298 115.700 -0.037 0.000 2.632 22 S HA 0.760 5.230 4.470 -0.001 0.000 0.289 22 S C -0.348 174.324 174.600 0.119 0.000 1.115 22 S CA 0.265 58.356 58.200 -0.182 0.000 0.889 22 S CB 1.728 64.506 63.200 -0.704 0.000 1.116 22 S HN 0.948 nan 8.310 nan 0.000 0.486 23 G N 2.245 111.084 108.800 0.065 0.000 2.660 23 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.215 23 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.215 23 G C -0.762 174.214 174.900 0.126 0.000 1.345 23 G CA -0.181 44.963 45.100 0.072 0.000 0.877 23 G HN 0.847 nan 8.290 nan 0.000 0.549 24 K N 0.554 121.014 120.400 0.100 0.000 2.315 24 K HA 0.438 4.757 4.320 -0.001 0.000 0.291 24 K C 0.918 177.642 176.600 0.207 0.000 1.074 24 K CA -0.380 55.969 56.287 0.103 0.000 0.936 24 K CB -0.283 32.244 32.500 0.046 0.000 1.049 24 K HN 0.443 nan 8.250 nan 0.000 0.471 25 L N 6.009 127.321 121.223 0.149 0.000 2.452 25 L HA 0.237 4.577 4.340 -0.001 0.000 0.267 25 L C -1.759 175.167 176.870 0.093 0.000 1.188 25 L CA -1.993 52.912 54.840 0.108 0.000 0.821 25 L CB 0.103 42.133 42.059 -0.049 0.000 1.102 25 L HN 0.562 nan 8.230 nan 0.000 0.470 26 P HA 0.100 nan 4.420 nan 0.000 0.275 26 P C 0.276 177.592 177.300 0.027 0.000 1.266 26 P CA -0.539 62.605 63.100 0.073 0.000 0.793 26 P CB 0.594 32.346 31.700 0.086 0.000 1.074 27 E N 0.726 120.944 120.200 0.029 0.000 2.106 27 E HA -0.149 4.200 4.350 -0.001 0.000 0.192 27 E C 1.082 177.690 176.600 0.014 0.000 0.984 27 E CA 1.313 57.724 56.400 0.020 0.000 0.806 27 E CB -0.639 29.074 29.700 0.022 0.000 0.750 27 E HN 0.557 nan 8.360 nan 0.000 0.458 28 N N 1.362 120.074 118.700 0.019 0.000 2.575 28 N HA -0.116 4.623 4.740 -0.001 0.000 0.192 28 N C 0.333 175.843 175.510 -0.000 0.000 1.200 28 N CA 0.023 53.087 53.050 0.023 0.000 0.897 28 N CB -0.504 38.010 38.487 0.044 0.000 0.990 28 N HN -0.111 nan 8.380 nan 0.000 0.449 29 N N 1.437 120.116 118.700 -0.035 0.000 2.223 29 N HA -0.103 4.637 4.740 -0.001 0.000 0.271 29 N C 0.536 175.992 175.510 -0.090 0.000 1.315 29 N CA 0.313 53.305 53.050 -0.096 0.000 0.835 29 N CB 0.486 38.905 38.487 -0.114 0.000 1.066 29 N HN 0.288 nan 8.380 nan 0.000 0.486 30 R N 1.914 122.339 120.500 -0.126 0.000 2.254 30 R HA 0.107 4.446 4.340 -0.001 0.000 0.195 30 R C -0.120 176.140 176.300 -0.066 0.000 0.957 30 R CA 0.269 56.327 56.100 -0.071 0.000 1.024 30 R CB 0.405 30.682 30.300 -0.038 0.000 0.952 30 R HN 0.294 nan 8.270 nan 0.000 0.484 31 V N 2.374 122.114 119.914 -0.290 0.000 2.320 31 V HA 0.019 4.139 4.120 -0.001 0.000 0.265 31 V C 1.300 177.180 176.094 -0.358 0.000 1.048 31 V CA -0.089 61.930 62.300 -0.468 0.000 0.865 31 V CB 1.212 32.438 31.823 -0.995 0.000 1.043 31 V HN 0.241 nan 8.190 nan 0.000 0.474 32 S N 4.001 119.643 115.700 -0.097 0.000 2.474 32 S HA -0.111 4.358 4.470 -0.001 0.000 0.235 32 S C 1.170 175.840 174.600 0.117 0.000 0.997 32 S CA 0.553 58.791 58.200 0.065 0.000 0.949 32 S CB -0.203 63.136 63.200 0.231 0.000 0.766 32 S HN 0.930 nan 8.310 nan 0.000 0.517 33 W N 1.038 122.285 121.300 -0.088 0.000 3.353 33 W HA 0.507 5.167 4.660 -0.001 0.000 0.304 33 W C -0.128 176.241 176.519 -0.249 0.000 1.273 33 W CA -0.925 56.226 57.345 -0.325 0.000 1.773 33 W CB -0.438 28.400 29.460 -1.036 0.000 1.095 33 W HN 0.013 nan 8.180 nan 0.000 0.676 34 R N 0.981 121.306 120.500 -0.291 0.000 2.589 34 R HA 0.661 5.000 4.340 -0.001 0.000 0.293 34 R C 0.193 176.426 176.300 -0.112 0.000 0.963 34 R CA -0.212 55.740 56.100 -0.245 0.000 0.905 34 R CB 1.724 31.745 30.300 -0.465 0.000 1.144 34 R HN 0.113 nan 8.270 nan 0.000 0.459 35 G N 0.300 109.074 108.800 -0.043 0.000 3.086 35 G HA2 0.313 4.272 3.960 -0.001 0.000 0.282 35 G HA3 0.313 4.272 3.960 -0.001 0.000 0.282 35 G C -1.184 173.719 174.900 0.005 0.000 1.343 35 G CA -0.518 44.578 45.100 -0.007 0.000 0.895 35 G HN 0.348 nan 8.290 nan 0.000 0.557 36 D N 0.673 121.085 120.400 0.020 0.000 2.389 36 D HA 0.470 5.110 4.640 -0.001 0.000 0.247 36 D C 0.455 176.774 176.300 0.032 0.000 1.128 36 D CA 0.515 54.534 54.000 0.031 0.000 0.884 36 D CB 1.413 42.229 40.800 0.026 0.000 1.194 36 D HN 0.540 nan 8.370 nan 0.000 0.441 37 S N -1.171 114.560 115.700 0.052 0.000 2.596 37 S HA 0.614 5.084 4.470 -0.001 0.000 0.270 37 S C 0.496 175.140 174.600 0.073 0.000 1.155 37 S CA -0.490 57.743 58.200 0.056 0.000 0.827 37 S CB 1.683 64.942 63.200 0.098 0.000 1.130 37 S HN 0.728 nan 8.310 nan 0.000 0.467 38 G N 0.398 109.232 108.800 0.057 0.000 2.323 38 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.292 38 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.292 38 G C 0.319 175.223 174.900 0.007 0.000 1.040 38 G CA 0.508 45.638 45.100 0.050 0.000 0.942 38 G HN 0.924 nan 8.290 nan 0.000 0.506 39 L N -1.554 119.663 121.223 -0.010 0.000 2.492 39 L HA 0.132 4.471 4.340 -0.001 0.000 0.223 39 L C 1.940 178.787 176.870 -0.037 0.000 1.132 39 L CA 1.024 55.850 54.840 -0.022 0.000 0.850 39 L CB 0.013 42.059 42.059 -0.022 0.000 0.966 39 L HN 0.338 nan 8.230 nan 0.000 0.454 40 N N -1.276 117.398 118.700 -0.042 0.000 2.204 40 N HA 0.038 4.777 4.740 -0.001 0.000 0.219 40 N C -0.693 174.782 175.510 -0.058 0.000 1.151 40 N CA -0.289 52.730 53.050 -0.053 0.000 0.867 40 N CB 0.492 38.944 38.487 -0.059 0.000 1.043 40 N HN 0.053 nan 8.380 nan 0.000 0.516 41 D N 0.258 120.630 120.400 -0.046 0.000 2.412 41 D HA 0.233 4.872 4.640 -0.001 0.000 0.257 41 D C 1.435 177.686 176.300 -0.082 0.000 1.217 41 D CA 1.057 55.029 54.000 -0.046 0.000 0.897 41 D CB 0.657 41.451 40.800 -0.011 0.000 1.132 41 D HN 0.371 nan 8.370 nan 0.000 0.493 42 G N 1.956 110.686 108.800 -0.117 0.000 2.259 42 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.217 42 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.217 42 G C 1.331 176.140 174.900 -0.151 0.000 1.001 42 G CA 0.543 45.535 45.100 -0.181 0.000 0.627 42 G HN 0.677 nan 8.290 nan 0.000 0.501 43 A N 1.756 124.510 122.820 -0.110 0.000 1.958 43 A HA -0.110 4.209 4.320 -0.001 0.000 0.221 43 A C 2.097 179.628 177.584 -0.089 0.000 1.178 43 A CA 2.681 54.663 52.037 -0.091 0.000 0.642 43 A CB -0.696 18.259 19.000 -0.074 0.000 0.816 43 A HN 1.042 nan 8.150 nan 0.000 0.453 44 D N 0.117 120.460 120.400 -0.096 0.000 2.263 44 D HA -0.122 4.518 4.640 -0.001 0.000 0.208 44 D C 1.367 177.619 176.300 -0.079 0.000 0.971 44 D CA 1.851 55.799 54.000 -0.086 0.000 0.867 44 D CB -0.753 39.987 40.800 -0.100 0.000 0.929 44 D HN 0.686 nan 8.370 nan 0.000 0.492 45 V N -4.651 115.204 119.914 -0.097 0.000 3.380 45 V HA 0.593 4.712 4.120 -0.001 0.000 0.307 45 V C 1.406 177.450 176.094 -0.083 0.000 1.434 45 V CA 0.098 62.355 62.300 -0.073 0.000 1.075 45 V CB -0.098 31.695 31.823 -0.050 0.000 0.954 45 V HN 0.297 nan 8.190 nan 0.000 0.444 46 G N 0.895 109.639 108.800 -0.094 0.000 2.147 46 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.244 46 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.244 46 G C -0.243 174.593 174.900 -0.107 0.000 1.005 46 G CA 0.777 45.825 45.100 -0.085 0.000 0.713 46 G HN 0.582 nan 8.290 nan 0.000 0.515 47 L N -0.925 120.205 121.223 -0.155 0.000 2.256 47 L HA 0.677 5.016 4.340 -0.001 0.000 0.261 47 L C -0.588 176.178 176.870 -0.174 0.000 1.022 47 L CA -1.153 53.578 54.840 -0.181 0.000 0.828 47 L CB 1.776 43.663 42.059 -0.287 0.000 1.374 47 L HN 0.075 nan 8.230 nan 0.000 0.436 48 D N 1.181 121.486 120.400 -0.159 0.000 2.427 48 D HA 0.358 4.997 4.640 -0.001 0.000 0.226 48 D C -0.382 175.829 176.300 -0.148 0.000 1.076 48 D CA -0.040 53.881 54.000 -0.132 0.000 0.849 48 D CB 0.783 41.518 40.800 -0.108 0.000 1.052 48 D HN 0.323 nan 8.370 nan 0.000 0.515 49 L N 3.571 124.718 121.223 -0.127 0.000 3.141 49 L HA 0.207 4.546 4.340 -0.001 0.000 0.267 49 L C 0.535 177.454 176.870 0.081 0.000 1.281 49 L CA -0.406 54.396 54.840 -0.063 0.000 1.037 49 L CB 0.297 42.284 42.059 -0.120 0.000 1.407 49 L HN 0.373 nan 8.230 nan 0.000 0.566 50 T N -2.092 112.460 114.554 -0.004 0.000 2.910 50 T HA 0.743 5.092 4.350 -0.001 0.000 0.293 50 T C 0.547 175.199 174.700 -0.080 0.000 1.015 50 T CA 0.202 62.281 62.100 -0.036 0.000 1.094 50 T CB 2.206 71.035 68.868 -0.065 0.000 0.968 50 T HN 0.439 nan 8.240 nan 0.000 0.521 51 G N 0.243 108.940 108.800 -0.171 0.000 2.362 51 G HA2 0.496 4.456 3.960 -0.001 0.000 0.517 51 G HA3 0.496 4.456 3.960 -0.001 0.000 0.517 51 G C 0.032 174.622 174.900 -0.515 0.000 1.256 51 G CA -0.064 44.813 45.100 -0.372 0.000 1.027 51 G HN 2.532 nan 8.290 nan 0.000 0.491 52 G N -2.503 105.908 108.800 -0.649 0.000 2.660 52 G HA2 0.289 4.248 3.960 -0.001 0.000 0.247 52 G HA3 0.289 4.248 3.960 -0.001 0.000 0.247 52 G C -0.666 174.091 174.900 -0.238 0.000 1.328 52 G CA 0.416 45.019 45.100 -0.829 0.000 0.884 52 G HN 1.813 nan 8.290 nan 0.000 0.531 53 W N -0.721 120.415 121.300 -0.273 0.000 2.819 53 W HA 0.656 5.315 4.660 -0.001 0.000 0.337 53 W C -0.695 175.722 176.519 -0.170 0.000 1.077 53 W CA -1.624 55.618 57.345 -0.172 0.000 1.226 53 W CB 1.059 30.524 29.460 0.009 0.000 1.419 53 W HN 0.506 nan 8.180 nan 0.000 0.502 54 Y N 1.470 121.911 120.300 0.235 0.000 2.346 54 Y HA -0.018 4.531 4.550 -0.001 0.000 0.330 54 Y C 1.622 177.638 175.900 0.193 0.000 1.178 54 Y CA 0.100 58.301 58.100 0.170 0.000 1.331 54 Y CB 0.421 38.965 38.460 0.139 0.000 1.253 54 Y HN 0.453 nan 8.280 nan 0.000 0.529 55 D N 1.821 122.462 120.400 0.402 0.000 2.088 55 D HA -0.119 4.521 4.640 -0.001 0.000 0.191 55 D C 1.060 177.515 176.300 0.257 0.000 0.992 55 D CA 2.166 56.380 54.000 0.356 0.000 0.831 55 D CB 0.264 41.374 40.800 0.516 0.000 0.973 55 D HN 0.624 nan 8.370 nan 0.000 0.447 56 A N -1.401 121.561 122.820 0.237 0.000 3.426 56 A HA 0.603 4.922 4.320 -0.001 0.000 0.185 56 A C 1.493 179.162 177.584 0.142 0.000 1.057 56 A CA 0.141 52.279 52.037 0.168 0.000 1.261 56 A CB -0.274 18.810 19.000 0.140 0.000 1.676 56 A HN 0.212 nan 8.150 nan 0.000 0.658 57 G N 0.483 109.349 108.800 0.111 0.000 3.181 57 G HA2 0.354 4.314 3.960 -0.001 0.000 0.219 57 G HA3 0.354 4.314 3.960 -0.001 0.000 0.219 57 G C -0.054 174.588 174.900 -0.430 0.000 1.182 57 G CA 0.892 45.945 45.100 -0.080 0.000 0.791 57 G HN 0.732 nan 8.290 nan 0.000 0.537 58 D N -1.776 118.439 120.400 -0.308 0.000 2.616 58 D HA 0.301 4.941 4.640 -0.001 0.000 0.260 58 D C -0.114 175.824 176.300 -0.602 0.000 1.158 58 D CA -1.030 52.710 54.000 -0.433 0.000 1.085 58 D CB 0.481 41.320 40.800 0.066 0.000 1.222 58 D HN 0.185 nan 8.370 nan 0.000 0.626 59 H N -1.717 117.289 119.070 -0.107 0.000 2.662 59 H HA 0.405 4.961 4.556 -0.001 0.000 0.268 59 H C -0.432 174.945 175.328 0.081 0.000 1.152 59 H CA -0.498 55.381 56.048 -0.282 0.000 1.072 59 H CB 0.849 30.302 29.762 -0.515 0.000 1.660 59 H HN -0.047 nan 8.280 nan 0.000 0.584 60 V N 1.562 121.546 119.914 0.116 0.000 2.583 60 V HA 0.078 4.197 4.120 -0.001 0.000 0.287 60 V C 0.340 176.406 176.094 -0.046 0.000 1.051 60 V CA -0.432 61.799 62.300 -0.115 0.000 1.010 60 V CB 1.410 32.879 31.823 -0.590 0.000 0.988 60 V HN 0.316 nan 8.190 nan 0.000 0.478 61 K N 4.795 125.154 120.400 -0.068 0.000 2.296 61 K HA 0.403 4.722 4.320 -0.001 0.000 0.257 61 K C -1.063 175.549 176.600 0.019 0.000 1.088 61 K CA -0.027 56.285 56.287 0.040 0.000 0.980 61 K CB 0.278 32.789 32.500 0.017 0.000 1.430 61 K HN 0.434 nan 8.250 nan 0.000 0.441 62 F N 0.617 120.674 119.950 0.177 0.000 2.444 62 F HA 0.163 4.689 4.527 -0.001 0.000 0.360 62 F C 1.645 177.557 175.800 0.186 0.000 1.106 62 F CA -0.228 57.867 58.000 0.158 0.000 1.170 62 F CB 1.273 40.267 39.000 -0.010 0.000 1.113 62 F HN 0.625 nan 8.300 nan 0.000 0.521 63 G N 3.211 112.270 108.800 0.431 0.000 2.511 63 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.217 63 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.217 63 G C 1.504 176.610 174.900 0.343 0.000 1.133 63 G CA 0.249 45.587 45.100 0.395 0.000 0.792 63 G HN 0.529 nan 8.290 nan 0.000 0.539 64 F N 2.926 122.913 119.950 0.062 0.000 2.039 64 F HA 0.045 4.571 4.527 -0.001 0.000 0.294 64 F C 0.044 175.932 175.800 0.146 0.000 1.130 64 F CA 0.559 58.552 58.000 -0.011 0.000 1.189 64 F CB -1.082 37.860 39.000 -0.097 0.000 0.983 64 F HN 0.098 nan 8.300 nan 0.000 0.471 65 P HA -0.186 nan 4.420 nan 0.000 0.223 65 P C 2.131 179.606 177.300 0.290 0.000 1.151 65 P CA 1.464 64.568 63.100 0.006 0.000 0.787 65 P CB -0.345 31.053 31.700 -0.504 0.000 0.788 66 M N -0.597 119.205 119.600 0.337 0.000 2.319 66 M HA -0.032 4.447 4.480 -0.001 0.000 0.265 66 M C 1.968 178.633 176.300 0.608 0.000 1.068 66 M CA 1.432 57.041 55.300 0.515 0.000 1.118 66 M CB -0.268 32.627 32.600 0.492 0.000 1.395 66 M HN -0.085 nan 8.290 nan 0.000 0.435 67 A N -0.128 123.010 122.820 0.529 0.000 1.898 67 A HA -0.153 4.166 4.320 -0.001 0.000 0.214 67 A C 1.820 179.666 177.584 0.437 0.000 1.183 67 A CA 0.957 53.264 52.037 0.451 0.000 0.622 67 A CB -0.987 18.128 19.000 0.191 0.000 0.824 67 A HN 0.582 nan 8.150 nan 0.000 0.444 68 F N 1.807 121.931 119.950 0.291 0.000 2.095 68 F HA -0.179 4.347 4.527 -0.001 0.000 0.298 68 F C 2.444 178.457 175.800 0.354 0.000 1.104 68 F CA 2.358 60.532 58.000 0.289 0.000 1.232 68 F CB -0.775 38.325 39.000 0.166 0.000 0.987 68 F HN 0.221 nan 8.300 nan 0.000 0.475 69 T N 0.567 115.356 114.554 0.393 0.000 2.737 69 T HA -0.223 4.126 4.350 -0.001 0.000 0.269 69 T C 2.172 177.043 174.700 0.286 0.000 1.040 69 T CA 1.446 63.758 62.100 0.352 0.000 1.142 69 T CB -0.871 68.337 68.868 0.567 0.000 0.861 69 T HN 0.389 nan 8.240 nan 0.000 0.456 70 A N 1.314 124.352 122.820 0.363 0.000 1.929 70 A HA -0.060 4.259 4.320 -0.001 0.000 0.216 70 A C 2.545 180.197 177.584 0.114 0.000 1.176 70 A CA 1.740 53.941 52.037 0.273 0.000 0.628 70 A CB -0.967 18.219 19.000 0.310 0.000 0.816 70 A HN 0.495 nan 8.150 nan 0.000 0.444 71 T N -0.256 114.342 114.554 0.073 0.000 2.904 71 T HA -0.044 4.305 4.350 -0.001 0.000 0.267 71 T C 1.901 176.606 174.700 0.008 0.000 1.059 71 T CA 1.259 63.329 62.100 -0.050 0.000 1.137 71 T CB -0.173 68.735 68.868 0.067 0.000 0.879 71 T HN 0.244 nan 8.240 nan 0.000 0.467 72 M N 0.686 120.268 119.600 -0.030 0.000 2.254 72 M HA 0.173 4.652 4.480 -0.001 0.000 0.265 72 M C 2.175 178.478 176.300 0.004 0.000 1.066 72 M CA 1.031 56.366 55.300 0.059 0.000 1.123 72 M CB -0.943 31.562 32.600 -0.159 0.000 1.388 72 M HN 0.262 nan 8.290 nan 0.000 0.425 73 L N -0.565 120.646 121.223 -0.019 0.000 2.109 73 L HA -0.131 4.208 4.340 -0.001 0.000 0.207 73 L C 2.624 179.457 176.870 -0.061 0.000 1.086 73 L CA 0.955 55.762 54.840 -0.055 0.000 0.760 73 L CB -0.652 41.365 42.059 -0.070 0.000 0.910 73 L HN 0.231 nan 8.230 nan 0.000 0.437 74 A N -0.539 122.258 122.820 -0.038 0.000 1.854 74 A HA -0.251 4.068 4.320 -0.001 0.000 0.214 74 A C 1.985 179.597 177.584 0.048 0.000 1.192 74 A CA 1.076 53.073 52.037 -0.067 0.000 0.611 74 A CB -1.103 17.821 19.000 -0.127 0.000 0.832 74 A HN 0.579 nan 8.150 nan 0.000 0.442 75 W N 1.219 122.441 121.300 -0.130 0.000 2.290 75 W HA -0.205 4.454 4.660 -0.001 0.000 0.311 75 W C 2.082 178.757 176.519 0.259 0.000 1.238 75 W CA 1.856 59.267 57.345 0.109 0.000 1.255 75 W CB -1.020 28.631 29.460 0.318 0.000 1.145 75 W HN 0.243 nan 8.180 nan 0.000 0.506 76 G N -0.418 108.476 108.800 0.156 0.000 2.443 76 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.219 76 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.219 76 G C 1.569 176.575 174.900 0.177 0.000 1.131 76 G CA 1.045 46.136 45.100 -0.015 0.000 0.775 76 G HN 0.440 nan 8.290 nan 0.000 0.547 77 A N -0.175 122.717 122.820 0.120 0.000 2.218 77 A HA 0.424 4.743 4.320 -0.001 0.000 0.209 77 A C 2.085 179.728 177.584 0.097 0.000 1.168 77 A CA 0.226 52.290 52.037 0.044 0.000 0.804 77 A CB -0.059 18.771 19.000 -0.283 0.000 0.834 77 A HN 0.368 nan 8.150 nan 0.000 0.482 78 I N -1.286 119.400 120.570 0.193 0.000 2.927 78 I HA -0.013 4.156 4.170 -0.001 0.000 0.268 78 I C 2.086 178.367 176.117 0.275 0.000 1.153 78 I CA 0.403 61.841 61.300 0.230 0.000 1.459 78 I CB 0.001 38.200 38.000 0.332 0.000 1.149 78 I HN 0.160 nan 8.210 nan 0.000 0.443 79 E N 0.285 120.692 120.200 0.345 0.000 2.107 79 E HA -0.058 4.291 4.350 -0.001 0.000 0.191 79 E C 0.971 177.698 176.600 0.210 0.000 0.982 79 E CA 0.798 57.383 56.400 0.309 0.000 0.809 79 E CB 0.138 30.045 29.700 0.345 0.000 0.756 79 E HN 0.163 nan 8.360 nan 0.000 0.459 80 S N 0.865 116.684 115.700 0.197 0.000 2.293 80 S HA 0.206 4.676 4.470 -0.001 0.000 0.154 80 S C -2.103 172.605 174.600 0.180 0.000 1.602 80 S CA -1.261 57.030 58.200 0.152 0.000 1.260 80 S CB 0.869 64.135 63.200 0.109 0.000 1.270 80 S HN -0.142 nan 8.310 nan 0.000 0.416 81 P HA -0.047 nan 4.420 nan 0.000 0.219 81 P C 1.140 178.518 177.300 0.131 0.000 1.150 81 P CA 0.807 63.990 63.100 0.139 0.000 0.814 81 P CB 0.264 32.011 31.700 0.078 0.000 0.787 82 E N 0.210 120.466 120.200 0.093 0.000 2.160 82 E HA -0.104 4.245 4.350 -0.001 0.000 0.195 82 E C 2.284 178.919 176.600 0.058 0.000 0.991 82 E CA 1.458 57.898 56.400 0.067 0.000 0.810 82 E CB -1.101 28.628 29.700 0.048 0.000 0.742 82 E HN 0.315 nan 8.360 nan 0.000 0.466 83 G N -0.414 108.414 108.800 0.047 0.000 2.402 83 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.216 83 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.216 83 G C 1.360 176.221 174.900 -0.065 0.000 1.162 83 G CA 0.422 45.502 45.100 -0.033 0.000 0.777 83 G HN 0.256 nan 8.290 nan 0.000 0.539 84 Y N 0.516 120.818 120.300 0.003 0.000 2.373 84 Y HA 0.131 4.681 4.550 -0.001 0.000 0.293 84 Y C 2.639 178.549 175.900 0.017 0.000 1.129 84 Y CA 0.559 58.663 58.100 0.007 0.000 1.226 84 Y CB 0.035 38.492 38.460 -0.006 0.000 1.000 84 Y HN 0.141 nan 8.280 nan 0.000 0.549 85 I N -0.861 119.800 120.570 0.152 0.000 2.233 85 I HA -0.252 3.918 4.170 -0.001 0.000 0.243 85 I C 2.288 178.447 176.117 0.070 0.000 1.093 85 I CA 1.082 62.439 61.300 0.094 0.000 1.380 85 I CB -0.318 37.722 38.000 0.067 0.000 1.067 85 I HN -0.005 nan 8.210 nan 0.000 0.413 86 R N 0.992 121.524 120.500 0.052 0.000 2.105 86 R HA -0.140 4.199 4.340 -0.001 0.000 0.239 86 R C 2.299 178.623 176.300 0.039 0.000 1.135 86 R CA 1.881 58.005 56.100 0.040 0.000 0.967 86 R CB -0.287 30.031 30.300 0.030 0.000 0.861 86 R HN 0.433 nan 8.270 nan 0.000 0.442 87 S N -1.084 114.635 115.700 0.032 0.000 2.603 87 S HA 0.130 4.600 4.470 -0.001 0.000 0.220 87 S C 1.360 176.006 174.600 0.077 0.000 0.967 87 S CA 0.283 58.501 58.200 0.030 0.000 0.920 87 S CB 0.532 63.720 63.200 -0.020 0.000 0.773 87 S HN 0.524 nan 8.310 nan 0.000 0.529 88 G N 1.405 110.263 108.800 0.096 0.000 2.168 88 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.257 88 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.257 88 G C 0.620 175.640 174.900 0.200 0.000 0.997 88 G CA 0.417 45.591 45.100 0.124 0.000 0.708 88 G HN 0.506 nan 8.290 nan 0.000 0.520 89 Q N -1.196 118.743 119.800 0.232 0.000 2.282 89 Q HA 0.329 4.668 4.340 -0.001 0.000 0.206 89 Q C 2.206 178.398 176.000 0.320 0.000 0.878 89 Q CA 0.580 56.603 55.803 0.368 0.000 0.944 89 Q CB 0.084 29.034 28.738 0.354 0.000 1.100 89 Q HN 0.599 nan 8.270 nan 0.000 0.509 90 M N 2.561 122.278 119.600 0.195 0.000 2.159 90 M HA -0.054 4.425 4.480 -0.001 0.000 0.263 90 M C -1.088 175.177 176.300 -0.059 0.000 1.063 90 M CA 1.543 56.879 55.300 0.059 0.000 1.110 90 M CB -1.048 31.575 32.600 0.037 0.000 1.374 90 M HN -0.038 nan 8.290 nan 0.000 0.411 91 P HA -0.125 nan 4.420 nan 0.000 0.226 91 P C 0.714 177.823 177.300 -0.318 0.000 1.153 91 P CA 1.364 64.307 63.100 -0.261 0.000 0.777 91 P CB -0.239 31.234 31.700 -0.378 0.000 0.794 92 Y N -0.222 120.124 120.300 0.076 0.000 2.301 92 Y HA 0.031 4.581 4.550 -0.001 0.000 0.295 92 Y C 2.568 178.509 175.900 0.068 0.000 1.119 92 Y CA 0.284 58.439 58.100 0.093 0.000 1.162 92 Y CB -1.395 37.148 38.460 0.138 0.000 1.046 92 Y HN -0.194 nan 8.280 nan 0.000 0.538 93 L N 0.792 122.096 121.223 0.135 0.000 2.012 93 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 93 L C 1.994 178.843 176.870 -0.035 0.000 1.073 93 L CA 1.991 56.808 54.840 -0.039 0.000 0.748 93 L CB -0.478 41.329 42.059 -0.420 0.000 0.891 93 L HN 0.020 nan 8.230 nan 0.000 0.431 94 K N -0.768 119.590 120.400 -0.071 0.000 2.209 94 K HA -0.194 4.126 4.320 -0.001 0.000 0.204 94 K C 1.712 178.446 176.600 0.223 0.000 1.048 94 K CA 1.374 57.652 56.287 -0.014 0.000 0.940 94 K CB -0.215 32.233 32.500 -0.086 0.000 0.729 94 K HN 0.428 nan 8.250 nan 0.000 0.451 95 D N 0.550 121.048 120.400 0.163 0.000 2.234 95 D HA -0.073 4.567 4.640 -0.001 0.000 0.205 95 D C 1.485 177.937 176.300 0.254 0.000 0.962 95 D CA 0.865 54.981 54.000 0.194 0.000 0.855 95 D CB 0.174 41.076 40.800 0.171 0.000 0.951 95 D HN 0.054 nan 8.370 nan 0.000 0.500 96 N N -0.230 118.625 118.700 0.258 0.000 2.220 96 N HA 0.007 4.746 4.740 -0.001 0.000 0.182 96 N C 1.921 177.659 175.510 0.382 0.000 1.023 96 N CA 0.362 53.626 53.050 0.357 0.000 0.856 96 N CB -0.220 38.440 38.487 0.290 0.000 0.997 96 N HN 0.254 nan 8.380 nan 0.000 0.429 97 L N 0.870 122.264 121.223 0.286 0.000 2.131 97 L HA -0.054 4.286 4.340 -0.001 0.000 0.210 97 L C 2.539 179.555 176.870 0.243 0.000 1.092 97 L CA 0.825 55.818 54.840 0.255 0.000 0.759 97 L CB -0.179 42.047 42.059 0.278 0.000 0.903 97 L HN 0.149 nan 8.230 nan 0.000 0.435 98 R N -0.426 120.259 120.500 0.309 0.000 2.115 98 R HA -0.204 4.136 4.340 -0.001 0.000 0.226 98 R C 2.298 178.604 176.300 0.011 0.000 1.100 98 R CA 1.054 57.202 56.100 0.079 0.000 0.980 98 R CB -0.261 30.019 30.300 -0.033 0.000 0.875 98 R HN 0.493 nan 8.270 nan 0.000 0.445 99 W N 0.420 121.657 121.300 -0.105 0.000 2.381 99 W HA -0.139 4.520 4.660 -0.001 0.000 0.301 99 W C 1.588 177.857 176.519 -0.416 0.000 1.205 99 W CA 1.238 58.470 57.345 -0.188 0.000 1.285 99 W CB -0.329 29.087 29.460 -0.074 0.000 1.133 99 W HN 0.027 nan 8.180 nan 0.000 0.521 100 V N 1.915 121.557 119.914 -0.452 0.000 2.488 100 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 100 V C 2.102 177.633 176.094 -0.939 0.000 1.046 100 V CA 1.946 63.644 62.300 -1.004 0.000 1.053 100 V CB -0.600 30.270 31.823 -1.587 0.000 0.679 100 V HN 0.117 nan 8.190 nan 0.000 0.458 101 N N 0.140 118.532 118.700 -0.513 0.000 2.244 101 N HA -0.142 4.597 4.740 -0.001 0.000 0.183 101 N C 1.448 176.830 175.510 -0.214 0.000 1.016 101 N CA 1.561 54.436 53.050 -0.291 0.000 0.866 101 N CB -0.230 38.221 38.487 -0.059 0.000 0.980 101 N HN 0.504 nan 8.380 nan 0.000 0.430 102 D N -0.014 120.253 120.400 -0.222 0.000 2.178 102 D HA -0.159 4.480 4.640 -0.001 0.000 0.201 102 D C 1.672 177.835 176.300 -0.227 0.000 0.980 102 D CA 0.684 54.558 54.000 -0.210 0.000 0.842 102 D CB -0.168 40.446 40.800 -0.310 0.000 0.948 102 D HN 0.367 nan 8.370 nan 0.000 0.472 103 Y N 0.208 120.234 120.300 -0.456 0.000 2.286 103 Y HA -0.141 4.408 4.550 -0.001 0.000 0.293 103 Y C 1.796 177.629 175.900 -0.112 0.000 1.124 103 Y CA 1.049 58.934 58.100 -0.360 0.000 1.178 103 Y CB -0.322 37.849 38.460 -0.481 0.000 1.010 103 Y HN -0.198 nan 8.280 nan 0.000 0.536 104 F N 0.225 120.063 119.950 -0.187 0.000 2.333 104 F HA -0.150 4.376 4.527 -0.001 0.000 0.300 104 F C 2.032 177.669 175.800 -0.270 0.000 1.083 104 F CA 0.686 58.549 58.000 -0.229 0.000 1.395 104 F CB -0.873 38.045 39.000 -0.136 0.000 1.056 104 F HN 0.152 nan 8.300 nan 0.000 0.529 105 I N -0.662 119.828 120.570 -0.133 0.000 2.429 105 I HA -0.191 3.979 4.170 -0.001 0.000 0.247 105 I C 2.240 178.284 176.117 -0.122 0.000 1.099 105 I CA 0.724 61.861 61.300 -0.272 0.000 1.422 105 I CB -0.372 37.442 38.000 -0.310 0.000 1.112 105 I HN -0.076 nan 8.210 nan 0.000 0.430 106 K N 1.256 121.556 120.400 -0.166 0.000 2.063 106 K HA -0.117 4.202 4.320 -0.001 0.000 0.208 106 K C 1.856 178.358 176.600 -0.164 0.000 1.048 106 K CA 1.587 57.775 56.287 -0.165 0.000 0.928 106 K CB -0.215 32.162 32.500 -0.205 0.000 0.713 106 K HN 0.282 nan 8.250 nan 0.000 0.442 107 A N 0.447 123.126 122.820 -0.236 0.000 2.259 107 A HA -0.071 4.248 4.320 -0.001 0.000 0.208 107 A C 0.246 177.922 177.584 0.153 0.000 1.201 107 A CA 0.327 52.292 52.037 -0.119 0.000 0.824 107 A CB -0.338 18.462 19.000 -0.332 0.000 0.838 107 A HN 0.312 nan 8.150 nan 0.000 0.485 108 H N 0.464 119.547 119.070 0.021 0.000 2.348 108 H HA 0.209 4.764 4.556 -0.001 0.000 0.232 108 H C -2.008 173.376 175.328 0.093 0.000 1.419 108 H CA -1.277 54.823 56.048 0.087 0.000 1.416 108 H CB 1.187 31.051 29.762 0.170 0.000 1.510 108 H HN 0.248 nan 8.280 nan 0.000 0.507 109 P HA -0.069 nan 4.420 nan 0.000 0.223 109 P C 0.010 177.210 177.300 -0.166 0.000 1.151 109 P CA 0.587 63.650 63.100 -0.062 0.000 0.787 109 P CB 0.564 32.257 31.700 -0.011 0.000 0.788 110 S N -2.895 112.601 115.700 -0.340 0.000 2.570 110 S HA 0.418 4.887 4.470 -0.001 0.000 0.270 110 S C -2.464 171.760 174.600 -0.626 0.000 1.149 110 S CA -1.347 56.633 58.200 -0.366 0.000 0.837 110 S CB 1.721 64.778 63.200 -0.240 0.000 1.124 110 S HN -0.246 nan 8.310 nan 0.000 0.465 111 P HA -0.176 nan 4.420 nan 0.000 0.217 111 P C 0.209 177.387 177.300 -0.203 0.000 1.158 111 P CA 1.618 64.567 63.100 -0.253 0.000 0.887 111 P CB -0.298 31.352 31.700 -0.084 0.000 0.792 112 N N -0.569 117.908 118.700 -0.372 0.000 2.376 112 N HA 0.176 4.915 4.740 -0.001 0.000 0.249 112 N C -0.547 174.363 175.510 -0.999 0.000 1.140 112 N CA 0.006 52.595 53.050 -0.768 0.000 0.870 112 N CB 0.783 38.904 38.487 -0.610 0.000 1.124 112 N HN 0.063 nan 8.380 nan 0.000 0.505 113 V N 1.527 121.069 119.914 -0.621 0.000 2.569 113 V HA 0.405 4.524 4.120 -0.001 0.000 0.301 113 V C -0.929 175.059 176.094 -0.178 0.000 1.044 113 V CA -0.864 61.172 62.300 -0.440 0.000 0.874 113 V CB 2.437 34.067 31.823 -0.322 0.000 1.002 113 V HN 0.008 nan 8.190 nan 0.000 0.424 114 L N 5.450 126.613 121.223 -0.100 0.000 2.410 114 L HA 0.652 4.992 4.340 -0.001 0.000 0.270 114 L C -1.390 175.452 176.870 -0.047 0.000 0.983 114 L CA -0.263 54.630 54.840 0.088 0.000 0.822 114 L CB 1.888 44.074 42.059 0.212 0.000 1.285 114 L HN 0.548 nan 8.230 nan 0.000 0.409 115 Y N 4.271 124.604 120.300 0.056 0.000 2.383 115 Y HA 0.344 4.893 4.550 -0.001 0.000 0.344 115 Y C 1.048 177.026 175.900 0.130 0.000 0.986 115 Y CA 0.156 58.299 58.100 0.071 0.000 1.175 115 Y CB 1.472 39.934 38.460 0.003 0.000 1.152 115 Y HN 0.478 nan 8.280 nan 0.000 0.511 116 V N 0.072 120.157 119.914 0.285 0.000 3.578 116 V HA 0.320 4.439 4.120 -0.001 0.000 0.290 116 V C -0.058 176.272 176.094 0.393 0.000 1.376 116 V CA 0.052 62.546 62.300 0.323 0.000 1.083 116 V CB 0.014 32.022 31.823 0.307 0.000 0.911 116 V HN 0.772 nan 8.190 nan 0.000 0.433 117 Q N -0.199 119.846 119.800 0.407 0.000 2.479 117 Q HA 0.644 4.983 4.340 -0.001 0.000 0.276 117 Q C -2.401 173.800 176.000 0.335 0.000 0.989 117 Q CA -0.455 55.562 55.803 0.358 0.000 0.864 117 Q CB 3.154 32.121 28.738 0.381 0.000 1.444 117 Q HN 0.139 nan 8.270 nan 0.000 0.388 118 V N 2.298 122.328 119.914 0.193 0.000 2.509 118 V HA 0.852 4.971 4.120 -0.001 0.000 0.289 118 V C -0.232 175.901 176.094 0.066 0.000 1.026 118 V CA 0.287 62.661 62.300 0.124 0.000 0.872 118 V CB 1.253 33.146 31.823 0.117 0.000 1.017 118 V HN 0.993 nan 8.190 nan 0.000 0.436 119 G N 3.397 112.255 108.800 0.098 0.000 2.528 119 G HA2 0.190 4.149 3.960 -0.001 0.000 0.681 119 G HA3 0.190 4.149 3.960 -0.001 0.000 0.681 119 G C -1.611 173.353 174.900 0.107 0.000 1.340 119 G CA -0.751 44.380 45.100 0.053 0.000 0.855 119 G HN 0.716 nan 8.290 nan 0.000 0.649 120 D N 0.096 120.547 120.400 0.085 0.000 2.198 120 D HA 0.587 5.227 4.640 -0.001 0.000 0.245 120 D C 1.531 177.784 176.300 -0.079 0.000 1.079 120 D CA 0.860 54.912 54.000 0.087 0.000 0.854 120 D CB 1.266 42.145 40.800 0.133 0.000 1.148 120 D HN 0.685 nan 8.370 nan 0.000 0.456 121 G N 2.815 111.524 108.800 -0.152 0.000 2.422 121 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.218 121 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.218 121 G C 1.035 175.736 174.900 -0.332 0.000 1.146 121 G CA 0.457 45.260 45.100 -0.494 0.000 0.769 121 G HN 0.562 nan 8.290 nan 0.000 0.547 122 D N 0.777 121.207 120.400 0.050 0.000 2.162 122 D HA 0.039 4.678 4.640 -0.001 0.000 0.205 122 D C 2.856 179.221 176.300 0.107 0.000 0.964 122 D CA 0.945 55.021 54.000 0.126 0.000 0.847 122 D CB -0.094 40.808 40.800 0.170 0.000 0.988 122 D HN 0.301 nan 8.370 nan 0.000 0.480 123 A N 1.179 124.047 122.820 0.081 0.000 1.933 123 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 123 A C 1.933 179.592 177.584 0.124 0.000 1.175 123 A CA 1.865 53.961 52.037 0.098 0.000 0.628 123 A CB -0.485 18.559 19.000 0.073 0.000 0.814 123 A HN 0.100 nan 8.150 nan 0.000 0.444 124 D N -1.320 119.123 120.400 0.072 0.000 2.144 124 D HA -0.133 4.506 4.640 -0.001 0.000 0.200 124 D C 1.647 178.124 176.300 0.295 0.000 0.978 124 D CA 1.276 55.358 54.000 0.137 0.000 0.833 124 D CB -0.243 40.571 40.800 0.023 0.000 0.961 124 D HN 0.735 nan 8.370 nan 0.000 0.470 125 H N -0.878 118.299 119.070 0.178 0.000 2.547 125 H HA 0.130 4.685 4.556 -0.001 0.000 0.272 125 H C 1.416 176.892 175.328 0.247 0.000 0.989 125 H CA 0.247 56.416 56.048 0.203 0.000 1.214 125 H CB 0.438 30.320 29.762 0.200 0.000 1.389 125 H HN 0.037 nan 8.280 nan 0.000 0.577 126 K N 0.023 120.641 120.400 0.363 0.000 2.486 126 K HA -0.072 4.247 4.320 -0.001 0.000 0.194 126 K C -0.217 176.618 176.600 0.392 0.000 1.033 126 K CA 0.268 56.746 56.287 0.317 0.000 1.004 126 K CB 0.384 33.035 32.500 0.251 0.000 0.798 126 K HN 0.196 nan 8.250 nan 0.000 0.495 127 W N 0.489 121.914 121.300 0.208 0.000 2.632 127 W HA 0.233 4.893 4.660 -0.001 0.000 0.328 127 W C -1.468 175.196 176.519 0.242 0.000 1.044 127 W CA -1.148 56.319 57.345 0.204 0.000 1.225 127 W CB 0.884 30.438 29.460 0.156 0.000 1.396 127 W HN -0.073 nan 8.180 nan 0.000 0.499 128 W N 8.031 128.961 121.300 -0.617 0.000 2.336 128 W HA 0.563 5.222 4.660 -0.001 0.000 0.315 128 W C -0.612 175.268 176.519 -1.066 0.000 1.016 128 W CA -0.354 56.626 57.345 -0.608 0.000 1.318 128 W CB 1.103 30.360 29.460 -0.337 0.000 1.247 128 W HN 0.726 nan 8.180 nan 0.000 0.414 129 G N 5.114 113.066 108.800 -1.413 0.000 2.451 129 G HA2 0.306 4.265 3.960 -0.001 0.000 0.292 129 G HA3 0.306 4.265 3.960 -0.001 0.000 0.292 129 G C -3.322 171.229 174.900 -0.581 0.000 1.427 129 G CA -1.006 43.402 45.100 -1.153 0.000 0.792 129 G HN -0.026 nan 8.290 nan 0.000 0.498 130 P HA 0.263 nan 4.420 nan 0.000 0.266 130 P C 0.812 178.107 177.300 -0.008 0.000 1.193 130 P CA 0.721 63.813 63.100 -0.012 0.000 0.770 130 P CB 1.025 32.776 31.700 0.086 0.000 0.836 131 A N 2.899 125.556 122.820 -0.272 0.000 2.209 131 A HA -0.116 4.203 4.320 -0.001 0.000 0.212 131 A C 1.487 178.946 177.584 -0.209 0.000 1.158 131 A CA 1.234 52.895 52.037 -0.627 0.000 0.742 131 A CB -0.752 17.727 19.000 -0.868 0.000 0.790 131 A HN 0.516 nan 8.150 nan 0.000 0.472 132 E N -0.846 119.325 120.200 -0.049 0.000 2.481 132 E HA 0.027 4.376 4.350 -0.001 0.000 0.195 132 E C 1.029 177.621 176.600 -0.014 0.000 1.047 132 E CA 0.944 57.341 56.400 -0.005 0.000 0.867 132 E CB 0.309 30.034 29.700 0.041 0.000 0.858 132 E HN 0.585 nan 8.360 nan 0.000 0.513 133 V N -2.871 117.051 119.914 0.013 0.000 3.111 133 V HA 0.329 4.448 4.120 -0.001 0.000 0.343 133 V C 0.277 176.193 176.094 -0.296 0.000 1.417 133 V CA -0.536 61.709 62.300 -0.092 0.000 1.142 133 V CB -0.492 31.401 31.823 0.118 0.000 1.114 133 V HN 0.031 nan 8.190 nan 0.000 0.520 134 M N 4.024 123.458 119.600 -0.278 0.000 2.408 134 M HA 0.137 4.617 4.480 -0.001 0.000 0.363 134 M C -0.903 175.045 176.300 -0.587 0.000 1.636 134 M CA -0.052 54.930 55.300 -0.530 0.000 1.029 134 M CB 0.779 33.217 32.600 -0.270 0.000 2.068 134 M HN 0.224 nan 8.290 nan 0.000 0.466 135 P HA 0.034 nan 4.420 nan 0.000 0.251 135 P C -0.104 176.987 177.300 -0.348 0.000 1.223 135 P CA 0.505 63.273 63.100 -0.552 0.000 0.796 135 P CB 0.186 31.576 31.700 -0.516 0.000 1.068 136 M N -1.012 118.394 119.600 -0.324 0.000 2.371 136 M HA 0.439 4.918 4.480 -0.001 0.000 0.301 136 M C -0.143 176.086 176.300 -0.119 0.000 1.173 136 M CA -0.195 55.002 55.300 -0.171 0.000 1.020 136 M CB 0.361 32.894 32.600 -0.111 0.000 1.490 136 M HN -0.317 nan 8.290 nan 0.000 0.485 137 E N 1.611 121.768 120.200 -0.070 0.000 2.331 137 E HA 0.371 4.721 4.350 -0.001 0.000 0.272 137 E C -0.772 175.808 176.600 -0.033 0.000 1.036 137 E CA -0.117 56.250 56.400 -0.054 0.000 0.864 137 E CB 0.865 30.542 29.700 -0.039 0.000 1.035 137 E HN 0.546 nan 8.360 nan 0.000 0.408 138 R N 3.037 123.513 120.500 -0.039 0.000 2.358 138 R HA 0.339 4.679 4.340 -0.001 0.000 0.309 138 R C -2.315 173.948 176.300 -0.062 0.000 1.026 138 R CA -1.667 54.420 56.100 -0.022 0.000 0.909 138 R CB 1.229 31.523 30.300 -0.010 0.000 1.153 138 R HN 0.208 nan 8.270 nan 0.000 0.515 139 P HA 0.146 nan 4.420 nan 0.000 0.274 139 P C -0.805 176.220 177.300 -0.458 0.000 1.231 139 P CA -0.312 62.611 63.100 -0.296 0.000 0.790 139 P CB 1.128 32.635 31.700 -0.322 0.000 0.951 140 S N 1.318 116.692 115.700 -0.544 0.000 2.473 140 S HA 0.648 5.118 4.470 -0.001 0.000 0.307 140 S C -0.735 173.581 174.600 -0.473 0.000 1.094 140 S CA -0.324 57.689 58.200 -0.312 0.000 1.070 140 S CB 0.222 63.354 63.200 -0.113 0.000 1.019 140 S HN 0.194 nan 8.310 nan 0.000 0.480 141 F N 1.959 122.050 119.950 0.235 0.000 2.556 141 F HA 0.728 5.254 4.527 -0.001 0.000 0.327 141 F C 0.380 176.215 175.800 0.057 0.000 1.059 141 F CA -0.943 57.141 58.000 0.140 0.000 0.953 141 F CB 1.683 40.746 39.000 0.104 0.000 1.227 141 F HN 0.533 nan 8.300 nan 0.000 0.478 142 K N -0.554 119.877 120.400 0.052 0.000 2.499 142 K HA 0.883 5.203 4.320 -0.001 0.000 0.277 142 K C -1.969 174.591 176.600 -0.067 0.000 1.025 142 K CA -1.069 55.080 56.287 -0.230 0.000 0.900 142 K CB 2.369 34.333 32.500 -0.894 0.000 1.494 142 K HN 0.524 nan 8.250 nan 0.000 0.442 143 V N -0.882 118.996 119.914 -0.060 0.000 2.709 143 V HA 0.717 4.836 4.120 -0.001 0.000 0.308 143 V C -1.697 174.406 176.094 0.014 0.000 1.062 143 V CA -0.498 61.842 62.300 0.066 0.000 0.901 143 V CB 1.257 33.206 31.823 0.210 0.000 1.003 143 V HN 1.055 nan 8.190 nan 0.000 0.425 144 D N 2.910 123.303 120.400 -0.012 0.000 2.752 144 D HA 0.576 5.216 4.640 -0.001 0.000 0.313 144 D C -2.658 173.570 176.300 -0.121 0.000 1.225 144 D CA -1.887 51.971 54.000 -0.238 0.000 0.976 144 D CB 1.014 41.643 40.800 -0.286 0.000 1.443 144 D HN 0.235 nan 8.370 nan 0.000 0.515 145 P HA -0.092 nan 4.420 nan 0.000 0.218 145 P C 1.038 178.250 177.300 -0.146 0.000 1.146 145 P CA 1.597 64.416 63.100 -0.468 0.000 0.813 145 P CB 0.118 31.333 31.700 -0.809 0.000 0.778 146 S N -2.304 113.326 115.700 -0.117 0.000 2.423 146 S HA -0.072 4.397 4.470 -0.001 0.000 0.231 146 S C 0.986 175.576 174.600 -0.016 0.000 1.014 146 S CA 0.750 58.919 58.200 -0.052 0.000 0.965 146 S CB -0.544 62.621 63.200 -0.059 0.000 0.785 146 S HN 0.205 nan 8.310 nan 0.000 0.495 147 c N 2.845 121.442 118.600 -0.005 0.000 3.102 147 c HA 0.408 4.977 4.570 -0.001 0.000 0.363 147 c C -2.630 171.493 174.090 0.055 0.000 1.048 147 c CA -1.798 54.541 56.329 0.017 0.000 1.330 147 c CB 0.949 43.463 42.510 0.008 0.000 1.771 147 c HN 0.263 nan 8.230 nan 0.000 0.526 148 P HA 0.573 nan 4.420 nan 0.000 0.282 148 P C -0.329 176.972 177.300 0.003 0.000 1.287 148 P CA 0.022 63.176 63.100 0.091 0.000 0.792 148 P CB 1.336 33.067 31.700 0.051 0.000 1.163 149 G N -0.896 107.827 108.800 -0.129 0.000 3.430 149 G HA2 0.212 4.171 3.960 -0.001 0.000 0.298 149 G HA3 0.212 4.171 3.960 -0.001 0.000 0.298 149 G C 0.532 175.256 174.900 -0.293 0.000 2.115 149 G CA -0.168 44.871 45.100 -0.103 0.000 0.686 149 G HN 0.265 nan 8.290 nan 0.000 0.404 150 S N 1.063 116.526 115.700 -0.394 0.000 2.399 150 S HA -0.133 4.336 4.470 -0.001 0.000 0.231 150 S C 2.180 176.667 174.600 -0.189 0.000 1.022 150 S CA 1.989 59.930 58.200 -0.431 0.000 0.983 150 S CB 0.006 62.794 63.200 -0.687 0.000 0.803 150 S HN 0.784 nan 8.310 nan 0.000 0.480 151 D N 1.314 121.648 120.400 -0.109 0.000 2.097 151 D HA -0.058 4.581 4.640 -0.001 0.000 0.197 151 D C 1.772 177.970 176.300 -0.169 0.000 0.984 151 D CA 0.758 54.714 54.000 -0.074 0.000 0.826 151 D CB -0.884 39.821 40.800 -0.158 0.000 0.973 151 D HN 0.274 nan 8.370 nan 0.000 0.460 152 V N -0.029 119.606 119.914 -0.464 0.000 2.667 152 V HA 0.036 4.155 4.120 -0.001 0.000 0.252 152 V C 2.150 178.195 176.094 -0.081 0.000 1.065 152 V CA 1.651 63.745 62.300 -0.344 0.000 1.083 152 V CB -0.410 31.033 31.823 -0.634 0.000 0.692 152 V HN 0.326 nan 8.190 nan 0.000 0.468 153 A N -0.037 122.723 122.820 -0.101 0.000 1.874 153 A HA 0.132 4.451 4.320 -0.001 0.000 0.214 153 A C 2.374 179.967 177.584 0.014 0.000 1.189 153 A CA 1.567 53.577 52.037 -0.045 0.000 0.615 153 A CB -0.907 17.976 19.000 -0.195 0.000 0.830 153 A HN 0.761 nan 8.150 nan 0.000 0.443 154 A N -0.501 122.341 122.820 0.038 0.000 2.067 154 A HA -0.059 4.261 4.320 -0.001 0.000 0.219 154 A C 1.894 179.658 177.584 0.300 0.000 1.158 154 A CA 1.985 54.143 52.037 0.201 0.000 0.661 154 A CB -0.322 18.814 19.000 0.227 0.000 0.801 154 A HN 0.529 nan 8.150 nan 0.000 0.452 155 E N -0.377 119.998 120.200 0.291 0.000 2.112 155 E HA -0.062 4.288 4.350 -0.001 0.000 0.190 155 E C 1.853 178.562 176.600 0.182 0.000 0.979 155 E CA 1.714 58.347 56.400 0.387 0.000 0.814 155 E CB -0.459 29.531 29.700 0.484 0.000 0.762 155 E HN 0.419 nan 8.360 nan 0.000 0.460 156 T N 0.088 114.643 114.554 0.001 0.000 2.962 156 T HA -0.010 4.339 4.350 -0.001 0.000 0.270 156 T C 1.626 176.239 174.700 -0.146 0.000 1.088 156 T CA 1.001 62.936 62.100 -0.274 0.000 1.127 156 T CB -0.193 68.406 68.868 -0.447 0.000 0.883 156 T HN 0.307 nan 8.240 nan 0.000 0.493 157 A N 1.362 124.179 122.820 -0.006 0.000 1.874 157 A HA 0.393 4.713 4.320 -0.001 0.000 0.214 157 A C 2.646 180.239 177.584 0.015 0.000 1.189 157 A CA 1.293 53.347 52.037 0.028 0.000 0.615 157 A CB -1.050 18.033 19.000 0.139 0.000 0.830 157 A HN 0.455 nan 8.150 nan 0.000 0.443 158 A N 0.069 122.928 122.820 0.065 0.000 1.940 158 A HA 0.105 4.424 4.320 -0.001 0.000 0.219 158 A C 2.450 179.928 177.584 -0.176 0.000 1.176 158 A CA 2.220 54.237 52.037 -0.032 0.000 0.631 158 A CB -0.911 18.105 19.000 0.027 0.000 0.814 158 A HN 0.997 nan 8.150 nan 0.000 0.446 159 A N -0.586 122.208 122.820 -0.044 0.000 1.872 159 A HA -0.043 4.277 4.320 -0.001 0.000 0.214 159 A C 2.238 179.823 177.584 0.002 0.000 1.187 159 A CA 1.673 53.705 52.037 -0.008 0.000 0.614 159 A CB -0.493 18.606 19.000 0.165 0.000 0.826 159 A HN 0.518 nan 8.150 nan 0.000 0.442 160 M N -0.574 119.036 119.600 0.017 0.000 2.319 160 M HA -0.046 4.433 4.480 -0.001 0.000 0.265 160 M C 2.420 178.695 176.300 -0.041 0.000 1.068 160 M CA 1.128 56.432 55.300 0.006 0.000 1.118 160 M CB -0.329 32.264 32.600 -0.012 0.000 1.395 160 M HN 0.487 nan 8.290 nan 0.000 0.435 161 A N 0.573 123.355 122.820 -0.062 0.000 1.854 161 A HA 0.090 4.410 4.320 -0.001 0.000 0.214 161 A C 2.383 179.923 177.584 -0.073 0.000 1.192 161 A CA 1.551 53.551 52.037 -0.062 0.000 0.611 161 A CB -0.903 18.061 19.000 -0.060 0.000 0.832 161 A HN 0.436 nan 8.150 nan 0.000 0.442 162 A N -0.414 122.279 122.820 -0.211 0.000 2.019 162 A HA -0.053 4.267 4.320 -0.001 0.000 0.219 162 A C 2.324 179.806 177.584 -0.170 0.000 1.164 162 A CA 2.048 53.862 52.037 -0.372 0.000 0.644 162 A CB -0.651 17.750 19.000 -0.998 0.000 0.805 162 A HN 0.446 nan 8.150 nan 0.000 0.449 163 S N 0.234 115.892 115.700 -0.069 0.000 2.436 163 S HA -0.091 4.378 4.470 -0.001 0.000 0.228 163 S C 2.196 176.909 174.600 0.188 0.000 1.014 163 S CA 1.163 59.409 58.200 0.076 0.000 0.950 163 S CB -0.251 63.058 63.200 0.183 0.000 0.784 163 S HN 0.892 nan 8.310 nan 0.000 0.504 164 S N 2.016 117.773 115.700 0.096 0.000 2.423 164 S HA 0.039 4.509 4.470 -0.001 0.000 0.231 164 S C 1.654 176.313 174.600 0.098 0.000 1.014 164 S CA 0.627 58.888 58.200 0.103 0.000 0.965 164 S CB -0.693 62.511 63.200 0.007 0.000 0.785 164 S HN 0.499 nan 8.310 nan 0.000 0.495 165 I N 1.143 121.743 120.570 0.049 0.000 2.546 165 I HA -0.054 4.116 4.170 -0.001 0.000 0.255 165 I C 2.154 178.272 176.117 0.001 0.000 1.163 165 I CA 0.577 61.896 61.300 0.032 0.000 1.457 165 I CB -0.269 37.759 38.000 0.048 0.000 1.092 165 I HN 0.217 nan 8.210 nan 0.000 0.434 166 V N 0.142 120.022 119.914 -0.057 0.000 2.488 166 V HA -0.166 3.953 4.120 -0.001 0.000 0.246 166 V C 1.862 177.779 176.094 -0.296 0.000 1.046 166 V CA 1.694 63.851 62.300 -0.238 0.000 1.053 166 V CB -0.457 31.101 31.823 -0.441 0.000 0.679 166 V HN 0.267 nan 8.190 nan 0.000 0.458 167 F N 0.278 120.250 119.950 0.038 0.000 2.743 167 F HA 0.319 4.846 4.527 -0.001 0.000 0.297 167 F C 2.254 178.088 175.800 0.057 0.000 1.131 167 F CA 0.463 58.507 58.000 0.073 0.000 1.426 167 F CB -0.822 38.283 39.000 0.175 0.000 1.116 167 F HN 0.046 nan 8.300 nan 0.000 0.583 168 A N 0.697 123.621 122.820 0.173 0.000 1.923 168 A HA -0.302 4.017 4.320 -0.001 0.000 0.222 168 A C 2.037 179.675 177.584 0.089 0.000 1.258 168 A CA 2.695 54.796 52.037 0.107 0.000 0.670 168 A CB -0.835 18.200 19.000 0.059 0.000 0.834 168 A HN 0.343 nan 8.150 nan 0.000 0.470 169 D N -1.204 119.238 120.400 0.070 0.000 2.216 169 D HA -0.024 4.616 4.640 -0.001 0.000 0.208 169 D C 1.305 177.645 176.300 0.068 0.000 0.960 169 D CA 1.199 55.232 54.000 0.055 0.000 0.861 169 D CB -0.412 40.408 40.800 0.033 0.000 0.985 169 D HN 0.427 nan 8.370 nan 0.000 0.493 170 D N 0.478 120.933 120.400 0.091 0.000 2.091 170 D HA -0.079 4.560 4.640 -0.001 0.000 0.199 170 D C 0.432 176.805 176.300 0.122 0.000 0.980 170 D CA 1.103 55.164 54.000 0.102 0.000 0.831 170 D CB 0.193 41.069 40.800 0.126 0.000 0.987 170 D HN -0.021 nan 8.370 nan 0.000 0.460 171 D N -1.122 119.389 120.400 0.185 0.000 2.443 171 D HA 0.124 4.764 4.640 -0.001 0.000 0.281 171 D C -1.955 174.445 176.300 0.167 0.000 1.210 171 D CA -1.829 52.267 54.000 0.160 0.000 0.875 171 D CB 1.290 42.186 40.800 0.160 0.000 1.125 171 D HN -0.052 nan 8.370 nan 0.000 0.503 172 P HA -0.138 nan 4.420 nan 0.000 0.219 172 P C 1.144 178.491 177.300 0.078 0.000 1.146 172 P CA 0.677 63.831 63.100 0.089 0.000 0.808 172 P CB 0.478 32.215 31.700 0.062 0.000 0.779 173 A N -0.726 122.143 122.820 0.082 0.000 1.897 173 A HA -0.192 4.127 4.320 -0.001 0.000 0.215 173 A C 2.356 179.994 177.584 0.091 0.000 1.181 173 A CA 1.147 53.227 52.037 0.071 0.000 0.620 173 A CB -1.808 17.230 19.000 0.063 0.000 0.821 173 A HN 0.115 nan 8.150 nan 0.000 0.443 174 Y N 0.767 121.045 120.300 -0.036 0.000 2.200 174 Y HA -0.024 4.525 4.550 -0.001 0.000 0.290 174 Y C 2.618 178.478 175.900 -0.067 0.000 1.137 174 Y CA 0.908 58.952 58.100 -0.093 0.000 1.163 174 Y CB -0.620 37.725 38.460 -0.192 0.000 0.988 174 Y HN 0.301 nan 8.280 nan 0.000 0.518 175 A N 0.562 123.369 122.820 -0.022 0.000 1.908 175 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 175 A C 2.466 180.004 177.584 -0.077 0.000 1.181 175 A CA 2.148 54.153 52.037 -0.053 0.000 0.627 175 A CB -1.526 17.523 19.000 0.081 0.000 0.818 175 A HN 0.587 nan 8.150 nan 0.000 0.445 176 A N -1.078 121.726 122.820 -0.027 0.000 1.902 176 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 176 A C 2.283 179.854 177.584 -0.022 0.000 1.181 176 A CA 2.289 54.319 52.037 -0.012 0.000 0.623 176 A CB -1.312 17.695 19.000 0.011 0.000 0.818 176 A HN 0.440 nan 8.150 nan 0.000 0.443 177 T N 0.539 115.065 114.554 -0.046 0.000 2.788 177 T HA -0.092 4.258 4.350 -0.001 0.000 0.268 177 T C 1.742 176.443 174.700 0.001 0.000 1.044 177 T CA 1.530 63.626 62.100 -0.007 0.000 1.139 177 T CB -0.360 68.492 68.868 -0.027 0.000 0.867 177 T HN 0.401 nan 8.240 nan 0.000 0.454 178 L N 0.496 121.616 121.223 -0.173 0.000 2.095 178 L HA -0.014 4.325 4.340 -0.001 0.000 0.204 178 L C 2.662 179.512 176.870 -0.032 0.000 1.080 178 L CA 0.654 55.399 54.840 -0.158 0.000 0.759 178 L CB -0.725 41.161 42.059 -0.288 0.000 0.914 178 L HN 0.113 nan 8.230 nan 0.000 0.439 179 V N -0.119 119.774 119.914 -0.034 0.000 2.332 179 V HA -0.345 3.775 4.120 -0.001 0.000 0.248 179 V C 2.500 178.611 176.094 0.029 0.000 1.055 179 V CA 1.969 64.265 62.300 -0.006 0.000 1.038 179 V CB -0.651 31.170 31.823 -0.005 0.000 0.651 179 V HN 0.524 nan 8.190 nan 0.000 0.450 180 Q N -0.725 119.098 119.800 0.040 0.000 2.020 180 Q HA -0.244 4.096 4.340 -0.001 0.000 0.202 180 Q C 2.418 178.439 176.000 0.036 0.000 0.982 180 Q CA 1.963 57.786 55.803 0.034 0.000 0.838 180 Q CB -0.209 28.536 28.738 0.011 0.000 0.899 180 Q HN 0.706 nan 8.270 nan 0.000 0.423 181 H N -0.660 118.415 119.070 0.009 0.000 2.352 181 H HA -0.124 4.431 4.556 -0.001 0.000 0.299 181 H C 1.974 177.271 175.328 -0.052 0.000 1.097 181 H CA 1.344 57.392 56.048 -0.001 0.000 1.311 181 H CB -0.012 29.715 29.762 -0.060 0.000 1.377 181 H HN 0.463 nan 8.280 nan 0.000 0.504 182 A N 1.297 124.165 122.820 0.081 0.000 1.940 182 A HA -0.190 4.130 4.320 -0.001 0.000 0.219 182 A C 2.373 180.008 177.584 0.085 0.000 1.176 182 A CA 1.586 53.645 52.037 0.037 0.000 0.631 182 A CB -0.288 18.710 19.000 -0.004 0.000 0.814 182 A HN 0.327 nan 8.150 nan 0.000 0.446 183 K N -0.638 119.823 120.400 0.102 0.000 2.057 183 K HA -0.148 4.172 4.320 -0.001 0.000 0.206 183 K C 2.340 179.071 176.600 0.219 0.000 1.050 183 K CA 1.632 58.025 56.287 0.177 0.000 0.935 183 K CB -0.186 32.414 32.500 0.166 0.000 0.715 183 K HN 0.629 nan 8.250 nan 0.000 0.439 184 Q N 0.515 120.419 119.800 0.174 0.000 2.119 184 Q HA -0.090 4.249 4.340 -0.001 0.000 0.201 184 Q C 2.102 178.270 176.000 0.280 0.000 0.972 184 Q CA 1.050 56.981 55.803 0.214 0.000 0.847 184 Q CB -0.037 28.832 28.738 0.218 0.000 0.903 184 Q HN 0.280 nan 8.270 nan 0.000 0.433 185 L N -0.787 120.562 121.223 0.209 0.000 2.201 185 L HA -0.164 4.175 4.340 -0.001 0.000 0.212 185 L C 2.145 179.149 176.870 0.223 0.000 1.105 185 L CA 0.854 55.833 54.840 0.230 0.000 0.775 185 L CB -0.214 41.865 42.059 0.033 0.000 0.913 185 L HN 0.257 nan 8.230 nan 0.000 0.440 186 Y N 0.191 120.564 120.300 0.122 0.000 2.365 186 Y HA -0.159 4.390 4.550 -0.001 0.000 0.293 186 Y C 2.571 178.553 175.900 0.137 0.000 1.119 186 Y CA 1.532 59.697 58.100 0.108 0.000 1.203 186 Y CB -0.076 38.441 38.460 0.095 0.000 1.026 186 Y HN 0.018 nan 8.280 nan 0.000 0.549 187 T N 0.822 115.513 114.554 0.229 0.000 2.777 187 T HA -0.180 4.169 4.350 -0.001 0.000 0.266 187 T C 1.546 176.334 174.700 0.147 0.000 1.040 187 T CA 1.465 63.667 62.100 0.169 0.000 1.141 187 T CB -0.694 68.300 68.868 0.210 0.000 0.868 187 T HN 0.430 nan 8.240 nan 0.000 0.444 188 F N 2.758 122.765 119.950 0.094 0.000 2.126 188 F HA 0.002 4.528 4.527 -0.001 0.000 0.299 188 F C 2.349 178.205 175.800 0.093 0.000 1.096 188 F CA 0.826 58.933 58.000 0.178 0.000 1.255 188 F CB -1.004 38.082 39.000 0.143 0.000 0.997 188 F HN 0.146 nan 8.300 nan 0.000 0.479 189 A N -0.664 121.924 122.820 -0.387 0.000 2.014 189 A HA -0.123 4.197 4.320 -0.001 0.000 0.218 189 A C 1.852 179.150 177.584 -0.477 0.000 1.163 189 A CA 1.685 53.367 52.037 -0.592 0.000 0.652 189 A CB -0.939 17.768 19.000 -0.488 0.000 0.808 189 A HN 0.483 nan 8.150 nan 0.000 0.449 190 D N -1.501 118.651 120.400 -0.413 0.000 2.240 190 D HA -0.035 4.604 4.640 -0.001 0.000 0.206 190 D C 1.905 178.059 176.300 -0.245 0.000 0.963 190 D CA 1.615 55.425 54.000 -0.316 0.000 0.863 190 D CB 0.120 40.757 40.800 -0.272 0.000 0.973 190 D HN 0.318 nan 8.370 nan 0.000 0.501 191 T N -1.083 113.316 114.554 -0.258 0.000 2.770 191 T HA -0.067 4.283 4.350 -0.001 0.000 0.263 191 T C 0.047 174.377 174.700 -0.617 0.000 1.039 191 T CA 0.881 62.714 62.100 -0.444 0.000 1.142 191 T CB -0.232 68.282 68.868 -0.589 0.000 0.868 191 T HN 0.111 nan 8.240 nan 0.000 0.435 192 Y N 2.294 122.532 120.300 -0.103 0.000 2.593 192 Y HA 0.458 5.007 4.550 -0.001 0.000 0.331 192 Y C 0.272 176.003 175.900 -0.283 0.000 0.986 192 Y CA -1.317 56.717 58.100 -0.110 0.000 1.262 192 Y CB 0.346 38.836 38.460 0.050 0.000 1.098 192 Y HN -0.226 nan 8.280 nan 0.000 0.506 193 R N 2.098 122.470 120.500 -0.214 0.000 2.438 193 R HA 0.721 5.060 4.340 -0.001 0.000 0.287 193 R C 0.325 176.419 176.300 -0.344 0.000 1.077 193 R CA -0.460 55.375 56.100 -0.441 0.000 1.034 193 R CB 0.802 30.902 30.300 -0.334 0.000 0.993 193 R HN 0.901 nan 8.270 nan 0.000 0.459 194 G N -0.232 108.251 108.800 -0.528 0.000 2.355 194 G HA2 0.201 4.160 3.960 -0.001 0.000 0.296 194 G HA3 0.201 4.160 3.960 -0.001 0.000 0.296 194 G C -1.748 173.104 174.900 -0.080 0.000 1.507 194 G CA -0.752 44.240 45.100 -0.181 0.000 0.823 194 G HN 0.297 nan 8.290 nan 0.000 0.569 195 V N 2.420 122.368 119.914 0.056 0.000 2.348 195 V HA 0.216 4.335 4.120 -0.001 0.000 0.270 195 V C 1.402 177.522 176.094 0.043 0.000 1.037 195 V CA -0.233 62.124 62.300 0.095 0.000 0.872 195 V CB 0.469 32.331 31.823 0.066 0.000 1.002 195 V HN 0.865 nan 8.190 nan 0.000 0.464 196 Y N 4.480 124.712 120.300 -0.114 0.000 2.298 196 Y HA -0.249 4.300 4.550 -0.001 0.000 0.287 196 Y C 2.144 178.007 175.900 -0.062 0.000 1.164 196 Y CA 1.774 59.814 58.100 -0.100 0.000 1.229 196 Y CB -0.666 37.704 38.460 -0.149 0.000 0.977 196 Y HN 0.612 nan 8.280 nan 0.000 0.538 197 S N -1.240 114.047 115.700 -0.689 0.000 2.603 197 S HA -0.060 4.410 4.470 -0.001 0.000 0.229 197 S C 0.974 175.373 174.600 -0.334 0.000 0.972 197 S CA 0.701 58.488 58.200 -0.688 0.000 0.935 197 S CB -0.197 62.689 63.200 -0.523 0.000 0.769 197 S HN 0.495 nan 8.310 nan 0.000 0.536 198 D N 0.338 120.609 120.400 -0.214 0.000 2.354 198 D HA 0.224 4.864 4.640 -0.001 0.000 0.209 198 D C 1.041 177.278 176.300 -0.106 0.000 1.015 198 D CA 0.184 54.105 54.000 -0.131 0.000 0.867 198 D CB 0.297 41.051 40.800 -0.077 0.000 0.933 198 D HN 0.467 nan 8.370 nan 0.000 0.520 199 c N -0.219 118.311 118.600 -0.116 0.000 2.964 199 c HA 0.253 4.822 4.570 -0.001 0.000 0.358 199 c C 0.782 174.830 174.090 -0.071 0.000 1.289 199 c CA -0.460 55.831 56.329 -0.063 0.000 1.856 199 c CB 0.309 42.812 42.510 -0.012 0.000 2.488 199 c HN 0.099 nan 8.230 nan 0.000 0.604 200 V N -0.904 118.922 119.914 -0.147 0.000 2.769 200 V HA 0.604 4.723 4.120 -0.001 0.000 0.312 200 V C -2.732 173.197 176.094 -0.275 0.000 1.061 200 V CA -2.021 60.167 62.300 -0.187 0.000 0.931 200 V CB 1.384 33.177 31.823 -0.049 0.000 1.010 200 V HN 0.029 nan 8.190 nan 0.000 0.433 201 P HA 0.319 nan 4.420 nan 0.000 0.226 201 P C 0.256 177.538 177.300 -0.030 0.000 1.783 201 P CA 0.246 63.206 63.100 -0.233 0.000 0.980 201 P CB 0.665 32.180 31.700 -0.309 0.000 1.967 202 A N 0.754 123.578 122.820 0.006 0.000 2.469 202 A HA 0.382 4.701 4.320 -0.001 0.000 0.245 202 A C 2.071 179.740 177.584 0.142 0.000 1.221 202 A CA 0.488 52.706 52.037 0.302 0.000 0.946 202 A CB -0.441 18.780 19.000 0.368 0.000 1.049 202 A HN 0.337 nan 8.150 nan 0.000 0.529 203 G N 0.043 108.786 108.800 -0.094 0.000 2.516 203 G HA2 0.031 3.991 3.960 -0.001 0.000 0.221 203 G HA3 0.031 3.991 3.960 -0.001 0.000 0.221 203 G C 1.199 175.951 174.900 -0.248 0.000 1.107 203 G CA 1.162 46.140 45.100 -0.204 0.000 0.747 203 G HN 0.810 nan 8.290 nan 0.000 0.567 204 A N -1.166 121.435 122.820 -0.363 0.000 2.345 204 A HA 0.617 4.937 4.320 -0.001 0.000 0.225 204 A C 1.295 178.373 177.584 -0.844 0.000 1.243 204 A CA 0.220 51.889 52.037 -0.615 0.000 0.875 204 A CB 0.064 18.584 19.000 -0.801 0.000 0.929 204 A HN 0.270 nan 8.150 nan 0.000 0.502 205 F N -3.585 116.295 119.950 -0.117 0.000 2.334 205 F HA 0.312 4.839 4.527 -0.001 0.000 0.269 205 F C 0.064 175.426 175.800 -0.731 0.000 0.879 205 F CA -0.122 57.635 58.000 -0.407 0.000 1.102 205 F CB 0.483 39.224 39.000 -0.432 0.000 1.032 205 F HN 0.042 nan 8.300 nan 0.000 0.782 206 Y N 1.239 121.539 120.300 0.001 0.000 2.511 206 Y HA 0.347 4.896 4.550 -0.001 0.000 0.356 206 Y C -0.235 175.889 175.900 0.374 0.000 1.002 206 Y CA -1.386 56.709 58.100 -0.008 0.000 1.127 206 Y CB 0.096 38.438 38.460 -0.197 0.000 1.137 206 Y HN -0.095 nan 8.280 nan 0.000 0.652 207 N N 0.350 119.198 118.700 0.247 0.000 2.525 207 N HA 0.044 4.783 4.740 -0.001 0.000 0.271 207 N C 0.089 175.584 175.510 -0.025 0.000 1.194 207 N CA 0.198 53.143 53.050 -0.174 0.000 0.964 207 N CB 1.101 39.056 38.487 -0.885 0.000 1.126 207 N HN 0.170 nan 8.380 nan 0.000 0.452 208 S N 2.794 118.485 115.700 -0.015 0.000 3.530 208 S HA 0.157 4.626 4.470 -0.001 0.000 0.279 208 S C 0.470 175.053 174.600 -0.028 0.000 1.280 208 S CA -0.563 57.722 58.200 0.142 0.000 0.946 208 S CB -0.699 62.589 63.200 0.147 0.000 1.501 208 S HN 0.612 nan 8.310 nan 0.000 0.498 209 W N 2.222 123.566 121.300 0.072 0.000 2.436 209 W HA -0.049 4.610 4.660 -0.001 0.000 0.284 209 W C 2.638 179.098 176.519 -0.099 0.000 1.225 209 W CA 0.815 58.133 57.345 -0.046 0.000 1.271 209 W CB -0.399 28.986 29.460 -0.124 0.000 1.114 209 W HN 0.742 nan 8.180 nan 0.000 0.559 210 S N -0.731 115.037 115.700 0.112 0.000 2.458 210 S HA 0.500 4.969 4.470 -0.001 0.000 0.223 210 S C 1.249 175.829 174.600 -0.033 0.000 1.019 210 S CA 0.544 58.741 58.200 -0.006 0.000 0.937 210 S CB -0.283 62.884 63.200 -0.054 0.000 0.788 210 S HN 0.452 nan 8.310 nan 0.000 0.511 211 G N 1.252 110.057 108.800 0.008 0.000 2.526 211 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.250 211 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.250 211 G C -0.046 174.854 174.900 0.001 0.000 1.289 211 G CA -0.068 45.001 45.100 -0.051 0.000 0.947 211 G HN 0.882 nan 8.290 nan 0.000 0.517 212 Y N -1.692 118.614 120.300 0.010 0.000 2.458 212 Y HA 0.463 5.013 4.550 -0.001 0.000 0.254 212 Y C 2.433 178.356 175.900 0.038 0.000 1.120 212 Y CA 1.035 59.147 58.100 0.019 0.000 1.282 212 Y CB -0.281 38.164 38.460 -0.026 0.000 1.109 212 Y HN 0.552 nan 8.280 nan 0.000 0.526 213 Q N 2.387 122.034 119.800 -0.254 0.000 2.197 213 Q HA -0.210 4.129 4.340 -0.001 0.000 0.207 213 Q C 1.581 177.610 176.000 0.048 0.000 0.984 213 Q CA 2.395 58.142 55.803 -0.094 0.000 0.869 213 Q CB -0.511 28.122 28.738 -0.174 0.000 0.906 213 Q HN 0.794 nan 8.270 nan 0.000 0.426 214 D N -1.369 119.050 120.400 0.031 0.000 2.194 214 D HA -0.145 4.494 4.640 -0.001 0.000 0.204 214 D C 0.911 177.327 176.300 0.194 0.000 0.964 214 D CA 0.900 54.932 54.000 0.053 0.000 0.846 214 D CB -0.121 40.654 40.800 -0.043 0.000 0.962 214 D HN 0.284 nan 8.370 nan 0.000 0.490 215 E N 0.112 120.464 120.200 0.254 0.000 2.435 215 E HA 0.149 4.498 4.350 -0.001 0.000 0.195 215 E C 2.048 178.919 176.600 0.451 0.000 1.029 215 E CA -0.000 56.637 56.400 0.396 0.000 0.865 215 E CB 0.077 29.997 29.700 0.366 0.000 0.833 215 E HN 0.319 nan 8.360 nan 0.000 0.510 216 L N -0.526 120.925 121.223 0.380 0.000 2.270 216 L HA -0.034 4.305 4.340 -0.001 0.000 0.210 216 L C 1.768 178.925 176.870 0.478 0.000 1.104 216 L CA 0.393 55.492 54.840 0.432 0.000 0.804 216 L CB 0.076 42.330 42.059 0.324 0.000 0.937 216 L HN 0.092 nan 8.230 nan 0.000 0.450 217 V N -1.303 118.836 119.914 0.375 0.000 2.379 217 V HA -0.225 3.894 4.120 -0.001 0.000 0.243 217 V C 2.018 178.321 176.094 0.347 0.000 1.035 217 V CA 1.253 63.746 62.300 0.322 0.000 1.035 217 V CB -0.675 31.308 31.823 0.268 0.000 0.673 217 V HN 0.596 nan 8.190 nan 0.000 0.457 218 W N 1.798 123.214 121.300 0.193 0.000 2.338 218 W HA -0.160 4.499 4.660 -0.001 0.000 0.304 218 W C 2.105 178.820 176.519 0.326 0.000 1.212 218 W CA 1.931 59.413 57.345 0.229 0.000 1.264 218 W CB -0.430 29.187 29.460 0.261 0.000 1.142 218 W HN 0.354 nan 8.180 nan 0.000 0.512 219 G N 0.258 109.321 108.800 0.438 0.000 2.408 219 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.217 219 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.217 219 G C 1.663 176.491 174.900 -0.119 0.000 1.150 219 G CA 1.370 46.631 45.100 0.267 0.000 0.776 219 G HN 0.377 nan 8.290 nan 0.000 0.542 220 A N 0.211 122.930 122.820 -0.168 0.000 1.873 220 A HA -0.003 4.317 4.320 -0.001 0.000 0.215 220 A C 2.183 179.620 177.584 -0.245 0.000 1.186 220 A CA 1.608 53.408 52.037 -0.394 0.000 0.616 220 A CB -0.809 18.146 19.000 -0.074 0.000 0.823 220 A HN 0.457 nan 8.150 nan 0.000 0.442 221 Y N -0.951 119.206 120.300 -0.239 0.000 2.193 221 Y HA -0.300 4.249 4.550 -0.001 0.000 0.285 221 Y C 2.029 177.642 175.900 -0.478 0.000 1.166 221 Y CA 2.013 59.906 58.100 -0.345 0.000 1.181 221 Y CB -0.420 37.724 38.460 -0.528 0.000 0.976 221 Y HN 0.471 nan 8.280 nan 0.000 0.520 222 W N -0.245 120.863 121.300 -0.320 0.000 2.436 222 W HA -0.058 4.602 4.660 -0.001 0.000 0.284 222 W C 2.126 178.388 176.519 -0.427 0.000 1.225 222 W CA 0.678 57.778 57.345 -0.408 0.000 1.271 222 W CB -0.190 29.029 29.460 -0.400 0.000 1.114 222 W HN 0.035 nan 8.180 nan 0.000 0.559 223 L N -0.880 120.142 121.223 -0.335 0.000 2.156 223 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 223 L C 2.365 178.996 176.870 -0.398 0.000 1.095 223 L CA 0.877 55.392 54.840 -0.541 0.000 0.770 223 L CB -0.787 40.533 42.059 -1.232 0.000 0.914 223 L HN 0.073 nan 8.230 nan 0.000 0.439 224 Y N 1.207 121.234 120.300 -0.454 0.000 2.145 224 Y HA -0.245 4.304 4.550 -0.001 0.000 0.286 224 Y C 2.448 178.182 175.900 -0.276 0.000 1.145 224 Y CA 1.445 59.391 58.100 -0.256 0.000 1.148 224 Y CB -0.151 38.110 38.460 -0.332 0.000 0.981 224 Y HN -0.043 nan 8.280 nan 0.000 0.507 225 K N 0.111 120.104 120.400 -0.678 0.000 2.148 225 K HA -0.031 4.288 4.320 -0.001 0.000 0.204 225 K C 2.275 178.697 176.600 -0.297 0.000 1.050 225 K CA 1.052 56.968 56.287 -0.618 0.000 0.942 225 K CB -0.470 31.737 32.500 -0.489 0.000 0.724 225 K HN 0.438 nan 8.250 nan 0.000 0.446 226 A N 1.126 123.839 122.820 -0.179 0.000 1.930 226 A HA -0.096 4.223 4.320 -0.001 0.000 0.215 226 A C 2.245 179.784 177.584 -0.075 0.000 1.176 226 A CA 1.953 53.937 52.037 -0.089 0.000 0.632 226 A CB -0.436 18.528 19.000 -0.060 0.000 0.819 226 A HN 0.450 nan 8.150 nan 0.000 0.445 227 T N -5.490 109.022 114.554 -0.070 0.000 3.046 227 T HA 0.416 4.765 4.350 -0.001 0.000 0.242 227 T C 1.574 176.267 174.700 -0.011 0.000 1.018 227 T CA 1.269 63.373 62.100 0.005 0.000 1.131 227 T CB 0.040 68.979 68.868 0.119 0.000 0.904 227 T HN 1.635 nan 8.240 nan 0.000 0.459 228 G N 1.358 110.123 108.800 -0.059 0.000 2.176 228 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.232 228 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.232 228 G C -0.198 174.769 174.900 0.112 0.000 0.986 228 G CA 0.057 45.111 45.100 -0.077 0.000 0.643 228 G HN 0.675 nan 8.290 nan 0.000 0.522 229 D N 1.395 121.908 120.400 0.189 0.000 2.363 229 D HA 0.226 4.865 4.640 -0.001 0.000 0.263 229 D C 1.365 177.798 176.300 0.220 0.000 1.258 229 D CA -0.149 53.952 54.000 0.168 0.000 0.907 229 D CB 0.323 41.200 40.800 0.129 0.000 1.107 229 D HN 0.292 nan 8.370 nan 0.000 0.495 230 D N 1.851 122.329 120.400 0.130 0.000 2.265 230 D HA -0.171 4.468 4.640 -0.001 0.000 0.208 230 D C 1.811 178.073 176.300 -0.064 0.000 0.977 230 D CA 0.922 54.947 54.000 0.042 0.000 0.871 230 D CB 0.132 40.942 40.800 0.017 0.000 0.925 230 D HN 0.473 nan 8.370 nan 0.000 0.485 231 S N 0.034 115.683 115.700 -0.085 0.000 2.419 231 S HA -0.196 4.274 4.470 -0.001 0.000 0.233 231 S C 1.983 176.502 174.600 -0.135 0.000 1.016 231 S CA 0.545 58.657 58.200 -0.147 0.000 0.974 231 S CB -0.603 62.459 63.200 -0.229 0.000 0.786 231 S HN 0.216 nan 8.310 nan 0.000 0.492 232 Y N 1.165 121.432 120.300 -0.055 0.000 2.263 232 Y HA 0.182 4.731 4.550 -0.001 0.000 0.292 232 Y C 2.265 178.061 175.900 -0.173 0.000 1.130 232 Y CA 0.219 58.267 58.100 -0.087 0.000 1.179 232 Y CB -0.665 37.762 38.460 -0.054 0.000 0.998 232 Y HN 0.285 nan 8.280 nan 0.000 0.532 233 L N -0.142 120.942 121.223 -0.232 0.000 2.093 233 L HA -0.046 4.293 4.340 -0.001 0.000 0.208 233 L C 2.325 179.087 176.870 -0.179 0.000 1.085 233 L CA 1.809 56.359 54.840 -0.482 0.000 0.755 233 L CB -1.036 40.375 42.059 -1.080 0.000 0.904 233 L HN 0.107 nan 8.230 nan 0.000 0.435 234 A N -0.468 122.285 122.820 -0.112 0.000 1.902 234 A HA -0.253 4.066 4.320 -0.001 0.000 0.217 234 A C 2.334 179.972 177.584 0.089 0.000 1.181 234 A CA 1.923 53.950 52.037 -0.017 0.000 0.623 234 A CB -0.595 18.384 19.000 -0.036 0.000 0.818 234 A HN 0.401 nan 8.150 nan 0.000 0.443 235 K N 0.373 120.836 120.400 0.106 0.000 2.057 235 K HA 0.017 4.337 4.320 -0.001 0.000 0.207 235 K C 1.946 178.713 176.600 0.279 0.000 1.049 235 K CA 1.781 58.205 56.287 0.227 0.000 0.931 235 K CB -0.659 31.985 32.500 0.240 0.000 0.714 235 K HN 0.315 nan 8.250 nan 0.000 0.440 236 A N 0.864 123.792 122.820 0.181 0.000 1.873 236 A HA -0.127 4.192 4.320 -0.001 0.000 0.215 236 A C 2.003 179.709 177.584 0.204 0.000 1.186 236 A CA 1.702 53.848 52.037 0.181 0.000 0.616 236 A CB -0.535 18.524 19.000 0.097 0.000 0.823 236 A HN 0.499 nan 8.150 nan 0.000 0.442 237 E N -1.665 118.625 120.200 0.150 0.000 2.150 237 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 237 E C 1.839 178.591 176.600 0.254 0.000 0.985 237 E CA 1.350 57.858 56.400 0.179 0.000 0.814 237 E CB -0.276 29.503 29.700 0.132 0.000 0.752 237 E HN 0.795 nan 8.360 nan 0.000 0.466 238 Y N 2.142 122.534 120.300 0.152 0.000 2.163 238 Y HA -0.141 4.409 4.550 -0.001 0.000 0.288 238 Y C 1.957 178.002 175.900 0.240 0.000 1.136 238 Y CA 1.345 59.545 58.100 0.166 0.000 1.147 238 Y CB 0.107 38.666 38.460 0.166 0.000 0.987 238 Y HN -0.115 nan 8.280 nan 0.000 0.509 239 E N -0.868 119.412 120.200 0.133 0.000 2.347 239 E HA -0.223 4.127 4.350 -0.001 0.000 0.196 239 E C 1.812 178.495 176.600 0.140 0.000 1.008 239 E CA 0.773 57.261 56.400 0.147 0.000 0.852 239 E CB -0.628 29.230 29.700 0.264 0.000 0.783 239 E HN 0.667 nan 8.360 nan 0.000 0.505 240 Y N 2.353 122.667 120.300 0.024 0.000 2.333 240 Y HA -0.171 4.379 4.550 -0.001 0.000 0.290 240 Y C 1.498 177.350 175.900 -0.080 0.000 1.144 240 Y CA 1.419 59.538 58.100 0.031 0.000 1.228 240 Y CB 0.184 38.715 38.460 0.119 0.000 0.985 240 Y HN -0.036 nan 8.280 nan 0.000 0.542 241 D N -0.716 119.590 120.400 -0.158 0.000 2.363 241 D HA -0.101 4.538 4.640 -0.001 0.000 0.220 241 D C 0.666 176.603 176.300 -0.606 0.000 0.994 241 D CA 0.815 54.566 54.000 -0.414 0.000 0.890 241 D CB -0.145 40.295 40.800 -0.600 0.000 0.906 241 D HN 0.400 nan 8.370 nan 0.000 0.530 242 F N 0.638 120.500 119.950 -0.147 0.000 2.664 242 F HA 0.233 4.759 4.527 -0.001 0.000 0.303 242 F C 1.045 176.749 175.800 -0.161 0.000 1.092 242 F CA -0.320 57.593 58.000 -0.146 0.000 1.305 242 F CB -0.102 38.807 39.000 -0.153 0.000 1.054 242 F HN -0.261 nan 8.300 nan 0.000 0.565 243 L N 0.180 121.340 121.223 -0.105 0.000 2.467 243 L HA 0.104 4.444 4.340 -0.001 0.000 0.270 243 L C 0.918 177.711 176.870 -0.128 0.000 1.205 243 L CA -0.269 54.478 54.840 -0.155 0.000 0.828 243 L CB 0.283 42.166 42.059 -0.293 0.000 1.101 243 L HN -0.041 nan 8.230 nan 0.000 0.479 244 S N 0.742 116.367 115.700 -0.126 0.000 2.544 244 S HA 0.069 4.539 4.470 -0.001 0.000 0.290 244 S C 0.436 174.973 174.600 -0.105 0.000 1.276 244 S CA -0.525 57.610 58.200 -0.109 0.000 1.075 244 S CB 0.255 63.385 63.200 -0.117 0.000 0.849 244 S HN 0.732 nan 8.310 nan 0.000 0.494 245 T N 1.174 115.679 114.554 -0.081 0.000 2.814 245 T HA 0.476 4.825 4.350 -0.001 0.000 0.284 245 T C -0.136 174.519 174.700 -0.074 0.000 0.998 245 T CA -0.889 61.171 62.100 -0.066 0.000 0.935 245 T CB 0.573 69.412 68.868 -0.047 0.000 1.167 245 T HN 0.603 nan 8.240 nan 0.000 0.545 246 E N 0.226 120.388 120.200 -0.063 0.000 2.183 246 E HA 0.248 4.598 4.350 -0.001 0.000 0.271 246 E C 0.982 177.537 176.600 -0.075 0.000 0.919 246 E CA -0.610 55.728 56.400 -0.103 0.000 0.781 246 E CB 1.075 30.664 29.700 -0.186 0.000 1.140 246 E HN 0.875 nan 8.360 nan 0.000 0.402 247 Q N 1.737 121.485 119.800 -0.088 0.000 2.500 247 Q HA -0.471 3.868 4.340 -0.001 0.000 0.411 247 Q C 1.147 177.125 176.000 -0.038 0.000 1.570 247 Q CA 2.588 58.354 55.803 -0.062 0.000 0.901 247 Q CB -0.905 27.796 28.738 -0.061 0.000 1.374 247 Q HN 0.551 nan 8.270 nan 0.000 0.973 248 Q N 0.963 120.749 119.800 -0.023 0.000 2.342 248 Q HA 0.162 4.502 4.340 -0.001 0.000 0.261 248 Q C 0.129 176.127 176.000 -0.003 0.000 0.841 248 Q CA 0.942 56.739 55.803 -0.012 0.000 0.969 248 Q CB 1.055 29.789 28.738 -0.005 0.000 1.136 248 Q HN 0.709 nan 8.270 nan 0.000 0.528 249 T N -0.878 113.680 114.554 0.007 0.000 2.788 249 T HA 0.157 4.506 4.350 -0.001 0.000 0.287 249 T C 0.451 175.156 174.700 0.008 0.000 1.007 249 T CA 0.055 62.166 62.100 0.018 0.000 1.005 249 T CB 0.797 69.695 68.868 0.050 0.000 1.012 249 T HN 0.340 nan 8.240 nan 0.000 0.530 250 D N -0.441 119.963 120.400 0.007 0.000 2.325 250 D HA 0.154 4.793 4.640 -0.001 0.000 0.225 250 D C 0.230 176.527 176.300 -0.006 0.000 1.096 250 D CA -0.331 53.664 54.000 -0.008 0.000 0.844 250 D CB -0.437 40.354 40.800 -0.014 0.000 0.925 250 D HN 0.440 nan 8.370 nan 0.000 0.513 251 L N 0.755 121.993 121.223 0.026 0.000 2.349 251 L HA 0.336 4.676 4.340 -0.001 0.000 0.275 251 L C 0.918 177.816 176.870 0.046 0.000 1.115 251 L CA -0.786 54.085 54.840 0.052 0.000 0.820 251 L CB 0.836 42.980 42.059 0.141 0.000 1.135 251 L HN -0.082 nan 8.230 nan 0.000 0.445 252 R N 1.289 121.790 120.500 0.001 0.000 2.594 252 R HA 0.152 4.492 4.340 -0.001 0.000 0.272 252 R C 0.075 176.407 176.300 0.053 0.000 1.074 252 R CA -0.360 55.717 56.100 -0.039 0.000 1.105 252 R CB 0.687 30.893 30.300 -0.156 0.000 1.008 252 R HN 0.626 nan 8.270 nan 0.000 0.472 253 S N 2.352 118.035 115.700 -0.028 0.000 2.715 253 S HA -0.143 4.326 4.470 -0.001 0.000 0.318 253 S C 0.135 174.809 174.600 0.123 0.000 1.242 253 S CA 0.568 58.734 58.200 -0.056 0.000 1.044 253 S CB -0.005 63.137 63.200 -0.097 0.000 0.760 253 S HN 0.731 nan 8.310 nan 0.000 0.501 254 Y N 0.131 120.535 120.300 0.175 0.000 2.729 254 Y HA 0.459 5.008 4.550 -0.001 0.000 0.266 254 Y C 0.933 177.004 175.900 0.283 0.000 1.064 254 Y CA -0.613 57.714 58.100 0.379 0.000 1.251 254 Y CB -0.017 38.606 38.460 0.273 0.000 1.379 254 Y HN 0.457 nan 8.280 nan 0.000 0.569 255 R N 0.021 120.438 120.500 -0.139 0.000 2.317 255 R HA 0.107 4.447 4.340 -0.001 0.000 0.208 255 R C 0.155 176.557 176.300 0.170 0.000 0.914 255 R CA 0.176 56.046 56.100 -0.384 0.000 1.060 255 R CB 0.307 30.290 30.300 -0.528 0.000 1.015 255 R HN 0.519 nan 8.270 nan 0.000 0.498 256 W N -0.916 120.414 121.300 0.049 0.000 3.229 256 W HA 0.358 5.017 4.660 -0.001 0.000 0.594 256 W C -0.326 176.099 176.519 -0.157 0.000 1.525 256 W CA -0.210 57.076 57.345 -0.098 0.000 0.876 256 W CB 1.435 30.740 29.460 -0.257 0.000 3.046 256 W HN -0.258 nan 8.180 nan 0.000 0.703 257 T N 0.235 114.460 114.554 -0.548 0.000 2.711 257 T HA 0.334 4.683 4.350 -0.001 0.000 0.302 257 T C -1.439 172.900 174.700 -0.602 0.000 1.373 257 T CA -0.696 61.034 62.100 -0.616 0.000 1.000 257 T CB 0.968 69.728 68.868 -0.180 0.000 1.483 257 T HN 0.283 nan 8.240 nan 0.000 0.499 258 I N 2.179 122.556 120.570 -0.322 0.000 2.395 258 I HA 0.650 4.819 4.170 -0.001 0.000 0.289 258 I C -0.216 175.894 176.117 -0.012 0.000 1.023 258 I CA 0.011 61.232 61.300 -0.132 0.000 1.350 258 I CB 0.348 38.369 38.000 0.034 0.000 1.409 258 I HN 0.858 nan 8.210 nan 0.000 0.507 259 A N 7.819 130.490 122.820 -0.249 0.000 2.557 259 A HA 0.279 4.599 4.320 -0.001 0.000 0.292 259 A C 0.146 177.015 177.584 -1.191 0.000 1.139 259 A CA -0.615 51.193 52.037 -0.382 0.000 0.665 259 A CB 0.212 19.216 19.000 0.008 0.000 1.285 259 A HN 0.930 nan 8.150 nan 0.000 0.433 260 W N 0.009 120.668 121.300 -1.068 0.000 2.316 260 W HA -0.198 4.461 4.660 -0.001 0.000 0.275 260 W C 0.171 176.139 176.519 -0.919 0.000 1.198 260 W CA 2.018 58.675 57.345 -1.147 0.000 1.161 260 W CB -0.342 28.867 29.460 -0.417 0.000 1.135 260 W HN 0.816 nan 8.180 nan 0.000 0.567 261 D N -0.193 119.428 120.400 -1.298 0.000 2.470 261 D HA -0.081 4.559 4.640 -0.001 0.000 0.238 261 D C -0.449 175.609 176.300 -0.404 0.000 1.054 261 D CA 0.202 53.703 54.000 -0.831 0.000 0.896 261 D CB 0.143 40.283 40.800 -1.101 0.000 1.118 261 D HN -0.123 nan 8.370 nan 0.000 0.497 262 D N 0.633 120.775 120.400 -0.430 0.000 2.453 262 D HA 0.204 4.844 4.640 -0.001 0.000 0.238 262 D C -0.169 175.975 176.300 -0.260 0.000 1.088 262 D CA -0.338 53.522 54.000 -0.234 0.000 0.854 262 D CB 1.638 42.378 40.800 -0.101 0.000 1.076 262 D HN -0.181 nan 8.370 nan 0.000 0.533 263 K N 0.736 120.955 120.400 -0.302 0.000 2.387 263 K HA 0.168 4.487 4.320 -0.001 0.000 0.198 263 K C 1.701 178.122 176.600 -0.299 0.000 1.022 263 K CA -0.060 55.968 56.287 -0.432 0.000 1.128 263 K CB 0.467 32.455 32.500 -0.852 0.000 0.853 263 K HN 0.112 nan 8.250 nan 0.000 0.523 264 S N 0.479 115.978 115.700 -0.333 0.000 2.365 264 S HA -0.209 4.260 4.470 -0.001 0.000 0.225 264 S C 1.314 175.215 174.600 -1.164 0.000 1.039 264 S CA 1.552 59.386 58.200 -0.611 0.000 1.033 264 S CB -0.425 62.311 63.200 -0.773 0.000 0.887 264 S HN 0.367 nan 8.310 nan 0.000 0.447 265 Y N 1.641 121.233 120.300 -1.180 0.000 2.333 265 Y HA 0.003 4.553 4.550 -0.001 0.000 0.290 265 Y C 2.676 178.061 175.900 -0.859 0.000 1.144 265 Y CA 0.554 57.700 58.100 -1.590 0.000 1.228 265 Y CB -1.115 36.255 38.460 -1.817 0.000 0.985 265 Y HN 0.332 nan 8.280 nan 0.000 0.542 266 G N -0.503 108.155 108.800 -0.237 0.000 2.403 266 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.216 266 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.216 266 G C 1.779 176.726 174.900 0.079 0.000 1.154 266 G CA 1.354 46.555 45.100 0.169 0.000 0.784 266 G HN 0.452 nan 8.290 nan 0.000 0.538 267 T N -1.516 113.046 114.554 0.013 0.000 2.881 267 T HA -0.148 4.202 4.350 -0.001 0.000 0.270 267 T C 2.070 176.853 174.700 0.138 0.000 1.068 267 T CA 1.052 63.167 62.100 0.024 0.000 1.131 267 T CB -0.420 68.541 68.868 0.155 0.000 0.871 267 T HN 0.214 nan 8.240 nan 0.000 0.479 268 Y N 1.638 121.963 120.300 0.041 0.000 2.097 268 Y HA -0.006 4.543 4.550 -0.001 0.000 0.282 268 Y C 2.894 178.789 175.900 -0.008 0.000 1.152 268 Y CA -0.233 57.918 58.100 0.085 0.000 1.136 268 Y CB -1.277 37.213 38.460 0.049 0.000 0.975 268 Y HN 0.135 nan 8.280 nan 0.000 0.498 269 V N -0.222 119.795 119.914 0.171 0.000 2.548 269 V HA -0.218 3.901 4.120 -0.001 0.000 0.249 269 V C 2.445 178.578 176.094 0.064 0.000 1.055 269 V CA 1.059 63.422 62.300 0.105 0.000 1.065 269 V CB -0.726 31.227 31.823 0.217 0.000 0.681 269 V HN 0.303 nan 8.190 nan 0.000 0.462 270 L N -0.758 120.387 121.223 -0.129 0.000 2.056 270 L HA -0.118 4.221 4.340 -0.001 0.000 0.207 270 L C 2.333 178.940 176.870 -0.438 0.000 1.078 270 L CA 1.495 56.044 54.840 -0.484 0.000 0.749 270 L CB -0.372 40.985 42.059 -1.170 0.000 0.901 270 L HN 0.293 nan 8.230 nan 0.000 0.433 271 L N -0.720 120.233 121.223 -0.451 0.000 2.156 271 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 271 L C 2.806 179.507 176.870 -0.282 0.000 1.095 271 L CA 0.787 55.309 54.840 -0.531 0.000 0.770 271 L CB -0.662 40.652 42.059 -1.243 0.000 0.914 271 L HN 0.205 nan 8.230 nan 0.000 0.439 272 A N 0.317 123.091 122.820 -0.077 0.000 1.972 272 A HA -0.237 4.083 4.320 -0.001 0.000 0.219 272 A C 2.397 180.096 177.584 0.193 0.000 1.169 272 A CA 1.787 53.949 52.037 0.207 0.000 0.635 272 A CB -0.348 18.838 19.000 0.309 0.000 0.810 272 A HN 0.327 nan 8.150 nan 0.000 0.446 273 K N -0.680 119.811 120.400 0.152 0.000 2.155 273 K HA -0.143 4.177 4.320 -0.001 0.000 0.203 273 K C 1.926 178.606 176.600 0.133 0.000 1.052 273 K CA 1.521 57.905 56.287 0.161 0.000 0.948 273 K CB -0.027 32.573 32.500 0.168 0.000 0.728 273 K HN 0.415 nan 8.250 nan 0.000 0.448 274 E N -0.172 120.098 120.200 0.117 0.000 2.030 274 E HA -0.091 4.258 4.350 -0.001 0.000 0.189 274 E C 1.839 178.511 176.600 0.120 0.000 0.974 274 E CA 2.019 58.505 56.400 0.144 0.000 0.807 274 E CB -0.045 29.786 29.700 0.219 0.000 0.771 274 E HN 0.406 nan 8.360 nan 0.000 0.451 275 T N -3.582 111.039 114.554 0.112 0.000 2.939 275 T HA 0.197 4.547 4.350 -0.001 0.000 0.254 275 T C 1.665 176.443 174.700 0.129 0.000 1.041 275 T CA 0.866 63.042 62.100 0.127 0.000 1.142 275 T CB -0.122 68.860 68.868 0.190 0.000 0.874 275 T HN 0.395 nan 8.240 nan 0.000 0.452 276 G N 1.650 110.548 108.800 0.163 0.000 2.141 276 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.242 276 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.242 276 G C -0.065 174.902 174.900 0.112 0.000 0.982 276 G CA 0.076 45.258 45.100 0.137 0.000 0.662 276 G HN 0.708 nan 8.290 nan 0.000 0.527 277 K N -0.246 120.228 120.400 0.124 0.000 2.350 277 K HA 0.296 4.615 4.320 -0.001 0.000 0.279 277 K C 1.324 177.883 176.600 -0.069 0.000 1.027 277 K CA -0.103 56.167 56.287 -0.027 0.000 0.969 277 K CB 0.855 33.235 32.500 -0.200 0.000 0.954 277 K HN 0.154 nan 8.250 nan 0.000 0.474 278 Q N 3.162 122.911 119.800 -0.086 0.000 2.181 278 Q HA -0.227 4.113 4.340 -0.001 0.000 0.205 278 Q C 1.750 177.674 176.000 -0.127 0.000 0.980 278 Q CA 1.765 57.531 55.803 -0.061 0.000 0.862 278 Q CB 0.013 28.718 28.738 -0.055 0.000 0.905 278 Q HN 0.550 nan 8.270 nan 0.000 0.429 279 K N -1.104 119.119 120.400 -0.294 0.000 2.059 279 K HA -0.243 4.076 4.320 -0.001 0.000 0.212 279 K C 1.599 178.006 176.600 -0.322 0.000 1.050 279 K CA 1.922 57.970 56.287 -0.399 0.000 0.927 279 K CB -0.246 31.827 32.500 -0.711 0.000 0.714 279 K HN 0.308 nan 8.250 nan 0.000 0.447 280 Y N 0.515 120.742 120.300 -0.121 0.000 2.243 280 Y HA 0.004 4.553 4.550 -0.001 0.000 0.293 280 Y C 2.135 178.027 175.900 -0.014 0.000 1.124 280 Y CA 0.502 58.534 58.100 -0.114 0.000 1.159 280 Y CB -0.406 37.962 38.460 -0.153 0.000 1.008 280 Y HN -0.000 nan 8.280 nan 0.000 0.527 281 I N 0.296 120.980 120.570 0.191 0.000 2.248 281 I HA -0.330 3.839 4.170 -0.001 0.000 0.248 281 I C 1.595 177.820 176.117 0.180 0.000 1.107 281 I CA 1.652 63.100 61.300 0.247 0.000 1.373 281 I CB -0.326 37.808 38.000 0.224 0.000 1.055 281 I HN 0.208 nan 8.210 nan 0.000 0.418 282 D N 0.706 121.151 120.400 0.076 0.000 2.117 282 D HA -0.154 4.486 4.640 -0.001 0.000 0.198 282 D C 1.805 178.110 176.300 0.008 0.000 0.982 282 D CA 1.125 55.148 54.000 0.039 0.000 0.828 282 D CB -0.300 40.492 40.800 -0.013 0.000 0.967 282 D HN 0.291 nan 8.370 nan 0.000 0.464 283 D N 0.420 120.781 120.400 -0.064 0.000 2.084 283 D HA -0.056 4.583 4.640 -0.001 0.000 0.196 283 D C 2.030 178.315 176.300 -0.026 0.000 0.985 283 D CA 1.302 55.161 54.000 -0.234 0.000 0.826 283 D CB -0.391 39.998 40.800 -0.685 0.000 0.978 283 D HN 0.116 nan 8.370 nan 0.000 0.456 284 A N 0.726 123.578 122.820 0.053 0.000 1.978 284 A HA -0.208 4.112 4.320 -0.001 0.000 0.220 284 A C 1.945 179.572 177.584 0.073 0.000 1.170 284 A CA 1.467 53.559 52.037 0.091 0.000 0.636 284 A CB -0.758 17.952 19.000 -0.484 0.000 0.810 284 A HN 0.266 nan 8.150 nan 0.000 0.448 285 N N -1.300 117.499 118.700 0.165 0.000 2.135 285 N HA -0.110 4.630 4.740 -0.001 0.000 0.186 285 N C 2.092 177.718 175.510 0.194 0.000 1.027 285 N CA 0.861 54.071 53.050 0.266 0.000 0.849 285 N CB -0.126 38.516 38.487 0.258 0.000 1.002 285 N HN 0.467 nan 8.380 nan 0.000 0.425 286 R N 0.066 120.644 120.500 0.131 0.000 2.115 286 R HA -0.153 4.187 4.340 -0.001 0.000 0.230 286 R C 2.032 178.455 176.300 0.204 0.000 1.111 286 R CA 1.085 57.209 56.100 0.039 0.000 0.976 286 R CB -0.164 30.061 30.300 -0.124 0.000 0.870 286 R HN 0.354 nan 8.270 nan 0.000 0.445 287 W N 1.160 122.573 121.300 0.189 0.000 2.381 287 W HA -0.124 4.535 4.660 -0.001 0.000 0.321 287 W C 1.423 178.151 176.519 0.348 0.000 1.196 287 W CA 1.156 58.738 57.345 0.394 0.000 1.304 287 W CB -0.822 28.930 29.460 0.487 0.000 1.166 287 W HN -0.008 nan 8.180 nan 0.000 0.473 288 L N 1.037 122.099 121.223 -0.270 0.000 2.353 288 L HA -0.179 4.161 4.340 -0.001 0.000 0.220 288 L C 1.871 178.649 176.870 -0.154 0.000 1.133 288 L CA 1.298 55.744 54.840 -0.656 0.000 0.798 288 L CB -0.700 40.671 42.059 -1.146 0.000 0.922 288 L HN -0.012 nan 8.230 nan 0.000 0.445 289 D N -1.053 119.408 120.400 0.101 0.000 2.183 289 D HA -0.185 4.455 4.640 -0.001 0.000 0.205 289 D C 1.824 178.216 176.300 0.153 0.000 0.962 289 D CA 0.819 54.918 54.000 0.165 0.000 0.849 289 D CB -0.020 40.873 40.800 0.155 0.000 0.978 289 D HN 0.287 nan 8.370 nan 0.000 0.488 290 Y N -0.732 119.637 120.300 0.115 0.000 2.403 290 Y HA -0.173 4.376 4.550 -0.001 0.000 0.291 290 Y C 1.271 177.183 175.900 0.020 0.000 1.143 290 Y CA 1.178 59.353 58.100 0.124 0.000 1.257 290 Y CB -0.234 38.410 38.460 0.307 0.000 0.984 290 Y HN -0.043 nan 8.280 nan 0.000 0.550 291 W N 0.029 121.227 121.300 -0.169 0.000 3.290 291 W HA 0.096 4.755 4.660 -0.001 0.000 0.287 291 W C 1.944 178.250 176.519 -0.354 0.000 1.288 291 W CA 1.163 58.298 57.345 -0.351 0.000 1.725 291 W CB 0.097 29.210 29.460 -0.578 0.000 1.103 291 W HN 0.170 nan 8.180 nan 0.000 0.670 292 T N -4.900 109.618 114.554 -0.060 0.000 3.447 292 T HA 0.000 4.350 4.350 -0.001 0.000 0.218 292 T C 1.548 176.227 174.700 -0.035 0.000 0.972 292 T CA 1.008 63.092 62.100 -0.027 0.000 1.264 292 T CB -0.741 68.123 68.868 -0.006 0.000 1.284 292 T HN -0.154 nan 8.240 nan 0.000 0.361 293 V N -0.341 119.566 119.914 -0.013 0.000 2.992 293 V HA 0.636 4.755 4.120 -0.001 0.000 0.250 293 V C 1.350 177.427 176.094 -0.029 0.000 1.090 293 V CA 0.513 62.796 62.300 -0.029 0.000 1.101 293 V CB -1.048 30.771 31.823 -0.006 0.000 0.743 293 V HN 1.387 nan 8.190 nan 0.000 0.468 294 G N 0.020 108.817 108.800 -0.006 0.000 2.612 294 G HA2 0.260 4.220 3.960 -0.001 0.000 0.686 294 G HA3 0.260 4.220 3.960 -0.001 0.000 0.686 294 G C -0.816 174.132 174.900 0.080 0.000 1.274 294 G CA -0.148 44.962 45.100 0.017 0.000 0.849 294 G HN 1.690 nan 8.290 nan 0.000 0.595 295 V N -2.902 117.098 119.914 0.144 0.000 2.668 295 V HA 0.792 4.911 4.120 -0.001 0.000 0.304 295 V C 0.499 176.661 176.094 0.114 0.000 1.071 295 V CA 0.036 62.392 62.300 0.092 0.000 0.894 295 V CB 0.993 32.815 31.823 -0.002 0.000 1.008 295 V HN 1.831 nan 8.190 nan 0.000 0.425 296 N N 3.022 121.761 118.700 0.066 0.000 2.753 296 N HA -0.176 4.563 4.740 -0.001 0.000 0.251 296 N C 1.165 176.721 175.510 0.077 0.000 1.097 296 N CA 1.492 54.584 53.050 0.070 0.000 0.786 296 N CB -1.184 37.357 38.487 0.089 0.000 1.137 296 N HN 2.025 nan 8.380 nan 0.000 0.566 297 G N -1.158 107.685 108.800 0.071 0.000 2.213 297 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.236 297 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.236 297 G C -0.179 174.764 174.900 0.071 0.000 0.991 297 G CA 0.359 45.493 45.100 0.056 0.000 0.629 297 G HN 0.441 nan 8.290 nan 0.000 0.517 298 Q N 0.061 119.941 119.800 0.134 0.000 2.235 298 Q HA 0.707 5.046 4.340 -0.001 0.000 0.250 298 Q C 0.141 176.209 176.000 0.112 0.000 0.909 298 Q CA -0.376 55.538 55.803 0.185 0.000 0.910 298 Q CB 1.702 30.643 28.738 0.340 0.000 1.223 298 Q HN 0.396 nan 8.270 nan 0.000 0.432 299 R N 1.253 121.689 120.500 -0.106 0.000 2.604 299 R HA 0.339 4.678 4.340 -0.001 0.000 0.270 299 R C -1.308 174.596 176.300 -0.660 0.000 1.052 299 R CA -0.620 55.207 56.100 -0.456 0.000 0.902 299 R CB 2.001 32.180 30.300 -0.202 0.000 1.233 299 R HN 0.513 nan 8.270 nan 0.000 0.455 300 V N 4.533 123.782 119.914 -1.107 0.000 2.788 300 V HA 0.151 4.271 4.120 -0.001 0.000 0.307 300 V C -2.067 173.775 176.094 -0.419 0.000 1.069 300 V CA -1.025 60.740 62.300 -0.892 0.000 1.173 300 V CB 0.892 31.925 31.823 -1.317 0.000 0.925 300 V HN 0.709 nan 8.190 nan 0.000 0.492 301 P HA 0.196 nan 4.420 nan 0.000 0.268 301 P C -1.609 175.568 177.300 -0.206 0.000 1.205 301 P CA 0.491 63.484 63.100 -0.179 0.000 0.771 301 P CB 0.209 31.810 31.700 -0.165 0.000 0.858 302 Y N 0.140 120.355 120.300 -0.141 0.000 2.477 302 Y HA 0.387 4.936 4.550 -0.001 0.000 0.347 302 Y C 0.554 176.410 175.900 -0.073 0.000 0.981 302 Y CA -0.359 57.680 58.100 -0.103 0.000 1.033 302 Y CB 1.828 40.245 38.460 -0.073 0.000 1.245 302 Y HN 0.294 nan 8.280 nan 0.000 0.455 303 S N 2.215 117.964 115.700 0.081 0.000 2.617 303 S HA 0.407 4.877 4.470 -0.001 0.000 0.283 303 S C -2.287 172.378 174.600 0.108 0.000 1.189 303 S CA -1.423 56.813 58.200 0.060 0.000 1.036 303 S CB 1.831 65.042 63.200 0.018 0.000 1.014 303 S HN 0.446 nan 8.310 nan 0.000 0.522 304 P HA 0.003 nan 4.420 nan 0.000 0.220 304 P C 1.335 178.706 177.300 0.118 0.000 1.144 304 P CA 1.375 64.527 63.100 0.086 0.000 0.800 304 P CB -0.292 31.448 31.700 0.067 0.000 0.772 305 G N -1.873 107.024 108.800 0.161 0.000 2.623 305 G HA2 0.233 4.192 3.960 -0.001 0.000 0.214 305 G HA3 0.233 4.192 3.960 -0.001 0.000 0.214 305 G C 1.048 176.117 174.900 0.281 0.000 1.138 305 G CA 0.518 45.761 45.100 0.237 0.000 0.794 305 G HN 0.406 nan 8.290 nan 0.000 0.535 306 G N -0.819 108.111 108.800 0.217 0.000 2.143 306 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.175 306 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.175 306 G C 0.118 175.080 174.900 0.104 0.000 1.004 306 G CA 0.143 45.389 45.100 0.243 0.000 0.671 306 G HN 0.473 nan 8.290 nan 0.000 0.512 307 M N 1.394 120.874 119.600 -0.201 0.000 2.318 307 M HA 0.709 5.188 4.480 -0.001 0.000 0.347 307 M C 0.380 176.375 176.300 -0.509 0.000 1.175 307 M CA -0.388 54.568 55.300 -0.574 0.000 1.075 307 M CB 1.366 33.324 32.600 -1.070 0.000 1.614 307 M HN 0.570 nan 8.290 nan 0.000 0.456 308 A N 4.985 127.474 122.820 -0.550 0.000 2.279 308 A HA 0.537 4.856 4.320 -0.001 0.000 0.306 308 A C -0.816 176.544 177.584 -0.372 0.000 1.300 308 A CA -0.605 51.032 52.037 -0.666 0.000 0.925 308 A CB -0.161 18.688 19.000 -0.253 0.000 1.152 308 A HN 0.643 nan 8.150 nan 0.000 0.544 309 V N 4.807 124.485 119.914 -0.394 0.000 2.304 309 V HA 0.137 4.257 4.120 -0.001 0.000 0.269 309 V C 0.984 176.898 176.094 -0.300 0.000 1.036 309 V CA -0.187 61.956 62.300 -0.262 0.000 0.840 309 V CB 0.608 32.312 31.823 -0.199 0.000 1.036 309 V HN 0.925 nan 8.190 nan 0.000 0.466 310 L N 2.773 123.823 121.223 -0.288 0.000 2.202 310 L HA 0.432 4.771 4.340 -0.001 0.000 0.205 310 L C 0.493 177.140 176.870 -0.372 0.000 1.083 310 L CA 1.670 56.225 54.840 -0.475 0.000 0.790 310 L CB 0.270 41.918 42.059 -0.686 0.000 0.942 310 L HN 0.794 nan 8.230 nan 0.000 0.452 311 D N -4.030 116.283 120.400 -0.145 0.000 2.639 311 D HA 0.223 4.862 4.640 -0.001 0.000 0.271 311 D C 0.618 176.995 176.300 0.128 0.000 1.254 311 D CA 0.258 54.283 54.000 0.041 0.000 0.810 311 D CB 1.280 42.183 40.800 0.171 0.000 1.351 311 D HN -0.145 nan 8.370 nan 0.000 0.427 312 T N -0.579 114.072 114.554 0.161 0.000 2.857 312 T HA -0.049 4.301 4.350 -0.001 0.000 0.266 312 T C 0.556 175.367 174.700 0.184 0.000 1.048 312 T CA 0.515 62.687 62.100 0.120 0.000 1.139 312 T CB -0.044 68.874 68.868 0.082 0.000 0.874 312 T HN 0.263 nan 8.240 nan 0.000 0.455 313 W N 2.410 123.776 121.300 0.110 0.000 2.342 313 W HA 0.486 5.146 4.660 -0.001 0.000 0.310 313 W C 0.867 177.403 176.519 0.028 0.000 1.128 313 W CA -0.694 56.717 57.345 0.109 0.000 1.322 313 W CB -0.399 29.169 29.460 0.179 0.000 1.251 313 W HN 0.522 nan 8.180 nan 0.000 0.439 314 G N 3.865 112.800 108.800 0.224 0.000 2.246 314 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.273 314 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.273 314 G C 1.024 175.697 174.900 -0.377 0.000 1.055 314 G CA 0.449 45.368 45.100 -0.302 0.000 0.851 314 G HN 0.933 nan 8.290 nan 0.000 0.500 315 A N -0.321 122.419 122.820 -0.133 0.000 1.884 315 A HA -0.045 4.274 4.320 -0.001 0.000 0.219 315 A C 2.507 179.995 177.584 -0.162 0.000 1.197 315 A CA 1.989 53.987 52.037 -0.065 0.000 0.637 315 A CB -0.404 18.542 19.000 -0.091 0.000 0.827 315 A HN 1.018 nan 8.150 nan 0.000 0.450 316 L N -0.854 120.199 121.223 -0.284 0.000 2.187 316 L HA -0.200 4.139 4.340 -0.001 0.000 0.213 316 L C 2.842 179.545 176.870 -0.278 0.000 1.100 316 L CA 1.427 56.092 54.840 -0.292 0.000 0.765 316 L CB -0.494 41.346 42.059 -0.366 0.000 0.904 316 L HN 0.492 nan 8.230 nan 0.000 0.437 317 R N -0.173 120.077 120.500 -0.416 0.000 2.066 317 R HA -0.200 4.139 4.340 -0.001 0.000 0.232 317 R C 2.281 178.471 176.300 -0.184 0.000 1.131 317 R CA 1.731 57.602 56.100 -0.381 0.000 0.955 317 R CB -0.514 29.360 30.300 -0.709 0.000 0.851 317 R HN 0.225 nan 8.270 nan 0.000 0.432 318 Y N 0.718 120.947 120.300 -0.118 0.000 2.145 318 Y HA -0.088 4.461 4.550 -0.001 0.000 0.286 318 Y C 2.590 178.434 175.900 -0.094 0.000 1.145 318 Y CA 1.328 59.379 58.100 -0.083 0.000 1.148 318 Y CB -0.975 37.432 38.460 -0.089 0.000 0.981 318 Y HN 0.230 nan 8.280 nan 0.000 0.507 319 A N -0.258 122.627 122.820 0.108 0.000 1.972 319 A HA -0.065 4.255 4.320 -0.001 0.000 0.219 319 A C 2.419 179.958 177.584 -0.076 0.000 1.169 319 A CA 1.691 53.742 52.037 0.022 0.000 0.635 319 A CB -1.068 17.926 19.000 -0.011 0.000 0.810 319 A HN 0.392 nan 8.150 nan 0.000 0.446 320 A N -0.009 122.793 122.820 -0.030 0.000 1.970 320 A HA -0.095 4.224 4.320 -0.001 0.000 0.216 320 A C 1.876 179.512 177.584 0.086 0.000 1.170 320 A CA 1.498 53.559 52.037 0.040 0.000 0.645 320 A CB -0.450 18.608 19.000 0.097 0.000 0.816 320 A HN 0.502 nan 8.150 nan 0.000 0.447 321 N N 0.017 118.775 118.700 0.096 0.000 2.188 321 N HA -0.086 4.653 4.740 -0.001 0.000 0.184 321 N C 1.636 177.226 175.510 0.134 0.000 1.018 321 N CA 1.937 55.099 53.050 0.187 0.000 0.858 321 N CB -0.671 37.950 38.487 0.223 0.000 0.989 321 N HN 0.476 nan 8.380 nan 0.000 0.426 322 T N 0.335 114.853 114.554 -0.060 0.000 2.904 322 T HA 0.047 4.396 4.350 -0.001 0.000 0.267 322 T C 1.917 176.581 174.700 -0.060 0.000 1.059 322 T CA 1.043 63.022 62.100 -0.203 0.000 1.137 322 T CB -0.231 68.180 68.868 -0.761 0.000 0.879 322 T HN 0.284 nan 8.240 nan 0.000 0.467 323 A N 1.019 123.816 122.820 -0.039 0.000 1.969 323 A HA 0.034 4.354 4.320 -0.001 0.000 0.218 323 A C 1.930 179.533 177.584 0.032 0.000 1.169 323 A CA 1.012 53.013 52.037 -0.059 0.000 0.635 323 A CB -0.728 18.181 19.000 -0.153 0.000 0.810 323 A HN 0.484 nan 8.150 nan 0.000 0.445 324 F N 0.681 120.581 119.950 -0.083 0.000 2.118 324 F HA -0.037 4.489 4.527 -0.001 0.000 0.293 324 F C 2.062 177.798 175.800 -0.106 0.000 1.102 324 F CA 1.623 59.550 58.000 -0.120 0.000 1.247 324 F CB -0.576 38.332 39.000 -0.153 0.000 1.017 324 F HN -0.016 nan 8.300 nan 0.000 0.475 325 V N 1.098 120.788 119.914 -0.373 0.000 2.594 325 V HA -0.221 3.899 4.120 -0.001 0.000 0.253 325 V C 2.738 178.750 176.094 -0.137 0.000 1.069 325 V CA 1.515 63.614 62.300 -0.336 0.000 1.082 325 V CB -1.814 30.131 31.823 0.202 0.000 0.680 325 V HN 0.496 nan 8.190 nan 0.000 0.469 326 A N -0.152 122.596 122.820 -0.120 0.000 1.929 326 A HA -0.033 4.287 4.320 -0.001 0.000 0.216 326 A C 2.173 179.808 177.584 0.085 0.000 1.176 326 A CA 1.275 53.281 52.037 -0.052 0.000 0.628 326 A CB -0.370 18.652 19.000 0.037 0.000 0.816 326 A HN 0.501 nan 8.150 nan 0.000 0.444 327 L N -0.525 120.714 121.223 0.027 0.000 2.217 327 L HA -0.104 4.236 4.340 -0.001 0.000 0.211 327 L C 2.366 179.281 176.870 0.075 0.000 1.107 327 L CA 0.610 55.495 54.840 0.075 0.000 0.783 327 L CB -0.327 41.755 42.059 0.040 0.000 0.919 327 L HN 0.238 nan 8.230 nan 0.000 0.442 328 V N -1.349 118.548 119.914 -0.029 0.000 2.379 328 V HA -0.282 3.837 4.120 -0.001 0.000 0.245 328 V C 2.167 178.376 176.094 0.193 0.000 1.044 328 V CA 1.447 63.769 62.300 0.037 0.000 1.036 328 V CB -0.594 31.178 31.823 -0.086 0.000 0.664 328 V HN 0.346 nan 8.190 nan 0.000 0.453 329 Y N 1.566 121.909 120.300 0.071 0.000 2.293 329 Y HA -0.063 4.486 4.550 -0.001 0.000 0.291 329 Y C 2.388 178.397 175.900 0.183 0.000 1.137 329 Y CA 0.689 58.867 58.100 0.130 0.000 1.202 329 Y CB -0.632 37.880 38.460 0.087 0.000 0.990 329 Y HN 0.169 nan 8.280 nan 0.000 0.537 330 A N -0.194 122.742 122.820 0.193 0.000 2.076 330 A HA -0.183 4.136 4.320 -0.001 0.000 0.220 330 A C 2.186 179.800 177.584 0.050 0.000 1.160 330 A CA 1.744 53.872 52.037 0.152 0.000 0.653 330 A CB -0.439 18.716 19.000 0.258 0.000 0.801 330 A HN 0.497 nan 8.150 nan 0.000 0.455 331 K N -0.686 119.749 120.400 0.059 0.000 2.284 331 K HA 0.034 4.353 4.320 -0.001 0.000 0.198 331 K C 1.755 178.363 176.600 0.014 0.000 1.048 331 K CA 1.095 57.405 56.287 0.039 0.000 0.987 331 K CB 0.080 32.623 32.500 0.071 0.000 0.800 331 K HN 0.483 nan 8.250 nan 0.000 0.486 332 V N -1.054 118.863 119.914 0.005 0.000 3.052 332 V HA 0.173 4.292 4.120 -0.001 0.000 0.254 332 V C 1.008 177.054 176.094 -0.080 0.000 1.100 332 V CA 0.117 62.420 62.300 0.004 0.000 1.112 332 V CB -0.215 31.668 31.823 0.099 0.000 0.738 332 V HN 0.096 nan 8.190 nan 0.000 0.469 333 I N 1.357 121.784 120.570 -0.237 0.000 2.519 333 I HA 0.209 4.379 4.170 -0.001 0.000 0.287 333 I C 0.959 177.004 176.117 -0.119 0.000 1.047 333 I CA 0.002 61.156 61.300 -0.243 0.000 1.381 333 I CB 1.217 38.940 38.000 -0.463 0.000 1.417 333 I HN 0.167 nan 8.210 nan 0.000 0.540 334 D N 3.922 124.280 120.400 -0.070 0.000 2.271 334 D HA -0.067 4.572 4.640 -0.001 0.000 0.206 334 D C 0.115 176.383 176.300 -0.053 0.000 0.967 334 D CA 0.579 54.551 54.000 -0.047 0.000 0.867 334 D CB 0.088 40.874 40.800 -0.023 0.000 0.960 334 D HN 0.543 nan 8.370 nan 0.000 0.509 335 D N 1.457 121.821 120.400 -0.059 0.000 2.426 335 D HA -0.037 4.602 4.640 -0.001 0.000 0.261 335 D C -1.616 174.634 176.300 -0.083 0.000 1.245 335 D CA -1.369 52.594 54.000 -0.062 0.000 0.917 335 D CB 1.583 42.348 40.800 -0.059 0.000 1.123 335 D HN -0.036 nan 8.370 nan 0.000 0.508 336 P HA -0.152 nan 4.420 nan 0.000 0.216 336 P C 1.477 178.728 177.300 -0.082 0.000 1.150 336 P CA 0.509 63.569 63.100 -0.067 0.000 0.837 336 P CB 0.368 32.039 31.700 -0.047 0.000 0.786 337 V N -0.431 119.430 119.914 -0.088 0.000 2.379 337 V HA -0.161 3.958 4.120 -0.001 0.000 0.245 337 V C 2.434 178.419 176.094 -0.182 0.000 1.044 337 V CA 1.641 63.881 62.300 -0.101 0.000 1.036 337 V CB -0.892 30.884 31.823 -0.078 0.000 0.664 337 V HN 0.044 nan 8.190 nan 0.000 0.453 338 R N 0.227 120.581 120.500 -0.243 0.000 2.075 338 R HA -0.143 4.196 4.340 -0.001 0.000 0.232 338 R C 2.430 178.369 176.300 -0.602 0.000 1.126 338 R CA 1.509 57.299 56.100 -0.517 0.000 0.963 338 R CB -0.334 29.733 30.300 -0.389 0.000 0.858 338 R HN 0.466 nan 8.270 nan 0.000 0.435 339 K N 1.211 121.444 120.400 -0.278 0.000 2.032 339 K HA -0.262 4.057 4.320 -0.001 0.000 0.209 339 K C 2.194 178.761 176.600 -0.055 0.000 1.048 339 K CA 1.761 57.970 56.287 -0.130 0.000 0.927 339 K CB -0.021 32.426 32.500 -0.089 0.000 0.712 339 K HN 0.144 nan 8.250 nan 0.000 0.441 340 Q N 0.658 120.414 119.800 -0.074 0.000 2.050 340 Q HA -0.215 4.124 4.340 -0.001 0.000 0.202 340 Q C 2.312 178.344 176.000 0.054 0.000 0.980 340 Q CA 1.456 57.262 55.803 0.004 0.000 0.840 340 Q CB -0.107 28.622 28.738 -0.015 0.000 0.898 340 Q HN 0.308 nan 8.270 nan 0.000 0.424 341 R N -0.755 119.708 120.500 -0.061 0.000 2.094 341 R HA -0.210 4.129 4.340 -0.001 0.000 0.239 341 R C 2.121 178.535 176.300 0.190 0.000 1.137 341 R CA 2.012 58.103 56.100 -0.016 0.000 0.943 341 R CB -0.386 29.789 30.300 -0.209 0.000 0.850 341 R HN 0.341 nan 8.270 nan 0.000 0.433 342 Y N -0.187 120.200 120.300 0.145 0.000 2.181 342 Y HA -0.217 4.332 4.550 -0.001 0.000 0.288 342 Y C 2.534 178.581 175.900 0.244 0.000 1.146 342 Y CA 1.215 59.422 58.100 0.179 0.000 1.164 342 Y CB -1.373 37.170 38.460 0.138 0.000 0.982 342 Y HN 0.325 nan 8.280 nan 0.000 0.515 343 H N 0.445 119.679 119.070 0.273 0.000 2.293 343 H HA -0.153 4.403 4.556 -0.001 0.000 0.300 343 H C 1.223 176.665 175.328 0.191 0.000 1.082 343 H CA 2.030 58.193 56.048 0.191 0.000 1.308 343 H CB -0.043 29.794 29.762 0.124 0.000 1.375 343 H HN 0.243 nan 8.280 nan 0.000 0.495 344 D N 0.058 120.637 120.400 0.297 0.000 2.144 344 D HA -0.149 4.490 4.640 -0.001 0.000 0.199 344 D C 2.050 178.459 176.300 0.182 0.000 0.984 344 D CA 0.853 54.985 54.000 0.220 0.000 0.834 344 D CB -0.740 40.187 40.800 0.213 0.000 0.955 344 D HN 0.356 nan 8.370 nan 0.000 0.465 345 F N 1.455 121.477 119.950 0.119 0.000 2.134 345 F HA -0.162 4.364 4.527 -0.001 0.000 0.299 345 F C 2.106 177.950 175.800 0.073 0.000 1.097 345 F CA 1.660 59.737 58.000 0.128 0.000 1.264 345 F CB -0.384 38.717 39.000 0.168 0.000 1.001 345 F HN -0.047 nan 8.300 nan 0.000 0.479 346 A N 0.095 122.831 122.820 -0.140 0.000 1.898 346 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 346 A C 2.262 179.694 177.584 -0.253 0.000 1.181 346 A CA 1.982 53.846 52.037 -0.289 0.000 0.620 346 A CB -1.381 17.556 19.000 -0.105 0.000 0.819 346 A HN 0.294 nan 8.150 nan 0.000 0.442 347 V N 0.047 119.849 119.914 -0.187 0.000 2.427 347 V HA -0.199 3.921 4.120 -0.001 0.000 0.248 347 V C 2.612 178.675 176.094 -0.052 0.000 1.051 347 V CA 2.197 64.421 62.300 -0.125 0.000 1.048 347 V CB -0.879 30.899 31.823 -0.075 0.000 0.666 347 V HN 0.618 nan 8.190 nan 0.000 0.456 348 R N 0.477 120.949 120.500 -0.046 0.000 2.075 348 R HA -0.121 4.218 4.340 -0.001 0.000 0.232 348 R C 2.264 178.562 176.300 -0.005 0.000 1.126 348 R CA 1.503 57.615 56.100 0.019 0.000 0.963 348 R CB -0.503 29.830 30.300 0.055 0.000 0.858 348 R HN 0.436 nan 8.270 nan 0.000 0.435 349 Q N -0.014 119.678 119.800 -0.181 0.000 2.167 349 Q HA -0.042 4.297 4.340 -0.001 0.000 0.202 349 Q C 1.928 177.906 176.000 -0.037 0.000 0.970 349 Q CA 1.015 56.705 55.803 -0.188 0.000 0.855 349 Q CB -0.041 28.424 28.738 -0.455 0.000 0.911 349 Q HN 0.361 nan 8.270 nan 0.000 0.438 350 I N 0.999 121.548 120.570 -0.036 0.000 2.333 350 I HA -0.153 4.016 4.170 -0.001 0.000 0.246 350 I C 1.555 177.721 176.117 0.082 0.000 1.106 350 I CA 0.738 62.071 61.300 0.054 0.000 1.411 350 I CB -1.105 36.871 38.000 -0.039 0.000 1.082 350 I HN 0.143 nan 8.210 nan 0.000 0.420 351 N N 0.607 119.354 118.700 0.080 0.000 2.223 351 N HA -0.237 4.502 4.740 -0.001 0.000 0.185 351 N C 1.825 177.310 175.510 -0.043 0.000 1.016 351 N CA 0.986 54.071 53.050 0.060 0.000 0.863 351 N CB -0.580 38.053 38.487 0.244 0.000 0.983 351 N HN 0.378 nan 8.380 nan 0.000 0.429 352 Y N 1.048 121.330 120.300 -0.030 0.000 2.200 352 Y HA -0.063 4.486 4.550 -0.001 0.000 0.290 352 Y C 2.154 178.067 175.900 0.021 0.000 1.137 352 Y CA 1.569 59.670 58.100 0.002 0.000 1.163 352 Y CB -0.405 38.061 38.460 0.010 0.000 0.988 352 Y HN 0.069 nan 8.280 nan 0.000 0.518 353 A N -0.264 122.693 122.820 0.228 0.000 2.014 353 A HA -0.046 4.273 4.320 -0.001 0.000 0.218 353 A C 1.994 179.603 177.584 0.042 0.000 1.163 353 A CA 1.404 53.557 52.037 0.194 0.000 0.652 353 A CB -0.875 18.165 19.000 0.067 0.000 0.808 353 A HN 0.525 nan 8.150 nan 0.000 0.449 354 L N -1.904 119.236 121.223 -0.138 0.000 2.591 354 L HA 0.256 4.595 4.340 -0.001 0.000 0.228 354 L C 1.635 178.165 176.870 -0.567 0.000 1.133 354 L CA 0.639 55.311 54.840 -0.281 0.000 0.880 354 L CB 0.218 42.015 42.059 -0.436 0.000 1.033 354 L HN 0.556 nan 8.230 nan 0.000 0.450 355 G N -1.029 107.456 108.800 -0.524 0.000 2.738 355 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.195 355 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.195 355 G C 0.034 174.843 174.900 -0.153 0.000 1.001 355 G CA -0.363 44.537 45.100 -0.333 0.000 0.759 355 G HN 0.195 nan 8.290 nan 0.000 0.494 356 D N 2.085 122.418 120.400 -0.110 0.000 2.608 356 D HA 0.426 5.065 4.640 -0.001 0.000 0.224 356 D C 0.532 176.754 176.300 -0.130 0.000 1.123 356 D CA 0.119 54.164 54.000 0.075 0.000 1.030 356 D CB -0.641 40.316 40.800 0.262 0.000 1.093 356 D HN 0.648 nan 8.370 nan 0.000 0.497 357 N N -0.288 118.267 118.700 -0.243 0.000 2.902 357 N HA 0.455 5.194 4.740 -0.001 0.000 0.268 357 N C -2.469 172.966 175.510 -0.125 0.000 1.450 357 N CA -1.381 51.461 53.050 -0.348 0.000 0.819 357 N CB 0.463 38.366 38.487 -0.973 0.000 1.540 357 N HN -0.284 nan 8.380 nan 0.000 0.545 358 P HA 0.009 nan 4.420 nan 0.000 0.222 358 P C 0.561 177.854 177.300 -0.012 0.000 1.147 358 P CA 1.137 64.247 63.100 0.016 0.000 0.790 358 P CB 0.218 31.962 31.700 0.073 0.000 0.780 359 R N -1.801 118.670 120.500 -0.049 0.000 2.280 359 R HA 0.122 4.461 4.340 -0.001 0.000 0.195 359 R C 0.619 176.857 176.300 -0.103 0.000 0.935 359 R CA 0.012 56.078 56.100 -0.057 0.000 1.033 359 R CB -0.438 29.834 30.300 -0.047 0.000 0.964 359 R HN 0.087 nan 8.270 nan 0.000 0.489 360 N N 0.843 119.468 118.700 -0.126 0.000 2.708 360 N HA -0.152 4.587 4.740 -0.001 0.000 0.251 360 N C -1.291 174.131 175.510 -0.147 0.000 1.123 360 N CA 0.930 53.916 53.050 -0.106 0.000 0.739 360 N CB -0.501 37.952 38.487 -0.057 0.000 1.113 360 N HN 0.092 nan 8.380 nan 0.000 0.561 361 S N -0.636 114.911 115.700 -0.256 0.000 2.568 361 S HA 0.444 4.913 4.470 -0.001 0.000 0.302 361 S C -0.029 174.266 174.600 -0.508 0.000 1.082 361 S CA -0.542 57.469 58.200 -0.315 0.000 1.009 361 S CB 2.469 65.495 63.200 -0.290 0.000 1.069 361 S HN 0.292 nan 8.310 nan 0.000 0.500 362 S N -0.026 115.449 115.700 -0.375 0.000 2.624 362 S HA 0.352 4.822 4.470 -0.001 0.000 0.263 362 S C -0.669 173.629 174.600 -0.503 0.000 1.287 362 S CA 0.019 58.022 58.200 -0.328 0.000 0.990 362 S CB 0.108 63.254 63.200 -0.089 0.000 0.950 362 S HN 0.669 nan 8.310 nan 0.000 0.561 363 Y N 0.776 121.004 120.300 -0.120 0.000 2.675 363 Y HA 0.379 4.928 4.550 -0.001 0.000 0.248 363 Y C -0.309 175.499 175.900 -0.153 0.000 1.161 363 Y CA -0.347 57.635 58.100 -0.197 0.000 1.203 363 Y CB 0.639 38.938 38.460 -0.268 0.000 1.262 363 Y HN 0.294 nan 8.280 nan 0.000 0.544 364 V N 1.536 121.485 119.914 0.059 0.000 2.334 364 V HA 0.276 4.395 4.120 -0.001 0.000 0.281 364 V C 0.188 176.357 176.094 0.125 0.000 1.016 364 V CA -1.356 60.979 62.300 0.058 0.000 0.832 364 V CB 1.248 33.156 31.823 0.141 0.000 0.999 364 V HN -0.132 nan 8.190 nan 0.000 0.439 365 V N 4.842 124.806 119.914 0.083 0.000 2.617 365 V HA 0.335 4.454 4.120 -0.001 0.000 0.304 365 V C 1.567 177.749 176.094 0.148 0.000 1.040 365 V CA 1.545 63.898 62.300 0.087 0.000 1.149 365 V CB 0.211 32.070 31.823 0.059 0.000 0.914 365 V HN 1.296 nan 8.190 nan 0.000 0.487 366 G N 3.944 112.810 108.800 0.109 0.000 2.179 366 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.260 366 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.260 366 G C -0.262 174.855 174.900 0.363 0.000 0.977 366 G CA 0.438 45.670 45.100 0.219 0.000 0.641 366 G HN 0.951 nan 8.290 nan 0.000 0.533 367 F N 0.747 120.763 119.950 0.110 0.000 2.556 367 F HA 0.614 5.140 4.527 -0.001 0.000 0.314 367 F C 0.737 176.552 175.800 0.026 0.000 1.106 367 F CA 0.969 59.014 58.000 0.074 0.000 0.911 367 F CB 1.597 40.639 39.000 0.070 0.000 1.190 367 F HN 1.321 nan 8.300 nan 0.000 0.448 368 G N 4.358 112.597 108.800 -0.935 0.000 2.568 368 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.222 368 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.222 368 G C -1.427 173.303 174.900 -0.284 0.000 1.321 368 G CA -0.346 44.363 45.100 -0.652 0.000 0.893 368 G HN 1.018 nan 8.290 nan 0.000 0.569 369 N N 0.965 119.551 118.700 -0.189 0.000 2.438 369 N HA 0.435 5.174 4.740 -0.001 0.000 0.282 369 N C 0.640 176.077 175.510 -0.121 0.000 1.037 369 N CA 0.642 53.616 53.050 -0.127 0.000 0.942 369 N CB 0.480 38.910 38.487 -0.094 0.000 1.136 369 N HN 1.034 nan 8.380 nan 0.000 0.481 370 N N 1.547 120.192 118.700 -0.091 0.000 2.725 370 N HA -0.130 4.610 4.740 -0.001 0.000 0.251 370 N C -2.388 173.071 175.510 -0.085 0.000 1.031 370 N CA -0.251 52.753 53.050 -0.077 0.000 0.720 370 N CB -0.215 38.224 38.487 -0.079 0.000 0.930 370 N HN 0.487 nan 8.380 nan 0.000 0.543 371 P HA 0.276 nan 4.420 nan 0.000 0.274 371 P C -2.615 174.688 177.300 0.005 0.000 1.256 371 P CA -0.849 62.224 63.100 -0.044 0.000 0.795 371 P CB 0.130 31.828 31.700 -0.004 0.000 1.038 372 P HA 0.239 nan 4.420 nan 0.000 0.269 372 P C 0.574 177.906 177.300 0.054 0.000 1.215 372 P CA 0.114 63.280 63.100 0.111 0.000 0.780 372 P CB 0.472 32.283 31.700 0.184 0.000 0.898 373 R N 0.820 121.344 120.500 0.041 0.000 2.469 373 R HA 0.212 4.551 4.340 -0.001 0.000 0.250 373 R C -0.281 176.022 176.300 0.005 0.000 0.909 373 R CA 0.121 56.225 56.100 0.007 0.000 1.050 373 R CB 0.362 30.660 30.300 -0.004 0.000 1.256 373 R HN 0.379 nan 8.270 nan 0.000 0.550 374 N N 1.437 120.150 118.700 0.022 0.000 2.733 374 N HA 0.192 4.932 4.740 -0.001 0.000 0.271 374 N C -2.819 172.723 175.510 0.053 0.000 1.720 374 N CA -1.234 51.820 53.050 0.008 0.000 0.803 374 N CB 1.508 39.970 38.487 -0.041 0.000 1.208 374 N HN 0.032 nan 8.380 nan 0.000 0.498 375 P HA 0.029 nan 4.420 nan 0.000 0.274 375 P C -0.206 177.232 177.300 0.230 0.000 1.246 375 P CA -0.112 63.091 63.100 0.171 0.000 0.795 375 P CB 1.008 32.809 31.700 0.168 0.000 1.006 376 H N 1.023 120.213 119.070 0.200 0.000 3.356 376 H HA 0.093 4.648 4.556 -0.001 0.000 0.260 376 H C -0.305 175.235 175.328 0.353 0.000 1.570 376 H CA 0.551 56.775 56.048 0.293 0.000 1.547 376 H CB -1.188 28.736 29.762 0.270 0.000 1.774 376 H HN 0.281 nan 8.280 nan 0.000 0.542 377 H N 3.730 122.858 119.070 0.097 0.000 2.782 377 H HA 0.204 4.759 4.556 -0.001 0.000 0.347 377 H C 0.498 175.689 175.328 -0.228 0.000 1.038 377 H CA -0.662 55.362 56.048 -0.040 0.000 1.255 377 H CB 1.079 30.886 29.762 0.074 0.000 1.623 377 H HN 0.636 nan 8.280 nan 0.000 0.525 378 R N 1.214 121.211 120.500 -0.839 0.000 2.062 378 R HA -0.064 4.276 4.340 -0.001 0.000 0.231 378 R C 1.589 177.633 176.300 -0.426 0.000 1.136 378 R CA 2.007 57.472 56.100 -1.057 0.000 0.948 378 R CB -0.018 29.514 30.300 -1.279 0.000 0.845 378 R HN 0.475 nan 8.270 nan 0.000 0.430 379 T N 0.654 115.076 114.554 -0.221 0.000 2.951 379 T HA -0.026 4.323 4.350 -0.001 0.000 0.268 379 T C 1.832 176.681 174.700 0.248 0.000 1.073 379 T CA 1.144 63.297 62.100 0.089 0.000 1.134 379 T CB -0.037 68.973 68.868 0.236 0.000 0.884 379 T HN 0.335 nan 8.240 nan 0.000 0.479 380 A N 0.623 123.655 122.820 0.354 0.000 2.016 380 A HA -0.046 4.273 4.320 -0.001 0.000 0.217 380 A C 2.010 179.579 177.584 -0.025 0.000 1.162 380 A CA 1.151 53.227 52.037 0.065 0.000 0.662 380 A CB -0.741 18.335 19.000 0.126 0.000 0.812 380 A HN 0.706 nan 8.150 nan 0.000 0.450 381 H N -0.720 118.323 119.070 -0.045 0.000 2.299 381 H HA 0.081 4.637 4.556 -0.001 0.000 0.302 381 H C 1.529 176.763 175.328 -0.157 0.000 1.078 381 H CA 1.022 57.036 56.048 -0.056 0.000 1.323 381 H CB -0.091 29.753 29.762 0.136 0.000 1.381 381 H HN 0.580 nan 8.280 nan 0.000 0.498 382 G N 0.950 109.627 108.800 -0.205 0.000 2.149 382 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.235 382 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.235 382 G C 0.122 174.870 174.900 -0.254 0.000 1.018 382 G CA 0.658 45.601 45.100 -0.261 0.000 0.728 382 G HN 0.563 nan 8.290 nan 0.000 0.508 383 S N -0.718 114.718 115.700 -0.440 0.000 2.560 383 S HA 0.358 4.827 4.470 -0.001 0.000 0.284 383 S C 1.097 175.598 174.600 -0.164 0.000 1.327 383 S CA 1.033 58.959 58.200 -0.456 0.000 1.055 383 S CB 0.118 63.173 63.200 -0.241 0.000 0.868 383 S HN 1.193 nan 8.310 nan 0.000 0.506 384 W N 2.091 123.263 121.300 -0.212 0.000 2.714 384 W HA 0.332 4.991 4.660 -0.001 0.000 0.353 384 W C 0.786 177.154 176.519 -0.251 0.000 0.999 384 W CA 0.147 57.380 57.345 -0.187 0.000 1.629 384 W CB -0.793 28.551 29.460 -0.192 0.000 1.106 384 W HN 0.612 nan 8.180 nan 0.000 0.545 385 T N -3.016 111.259 114.554 -0.465 0.000 3.132 385 T HA 0.126 4.475 4.350 -0.001 0.000 0.274 385 T C 0.301 174.912 174.700 -0.148 0.000 1.011 385 T CA 0.352 62.260 62.100 -0.321 0.000 0.899 385 T CB -0.311 68.284 68.868 -0.456 0.000 1.089 385 T HN 0.040 nan 8.240 nan 0.000 0.543 386 D N 0.833 121.156 120.400 -0.128 0.000 2.716 386 D HA -0.166 4.473 4.640 -0.001 0.000 0.239 386 D C -0.499 175.763 176.300 -0.062 0.000 1.125 386 D CA 0.899 54.847 54.000 -0.086 0.000 0.681 386 D CB -1.420 39.415 40.800 0.058 0.000 1.070 386 D HN 0.589 nan 8.370 nan 0.000 0.432 387 S N -0.221 115.416 115.700 -0.106 0.000 2.547 387 S HA 0.548 5.017 4.470 -0.001 0.000 0.281 387 S C 0.656 175.090 174.600 -0.276 0.000 1.118 387 S CA -0.673 57.420 58.200 -0.179 0.000 0.947 387 S CB 1.408 64.490 63.200 -0.197 0.000 1.053 387 S HN 0.261 nan 8.310 nan 0.000 0.482 388 I N 4.006 124.241 120.570 -0.559 0.000 3.226 388 I HA 0.203 4.373 4.170 -0.001 0.000 0.277 388 I C 1.786 177.624 176.117 -0.465 0.000 1.243 388 I CA 0.962 61.691 61.300 -0.953 0.000 1.459 388 I CB -0.142 37.093 38.000 -1.275 0.000 1.093 388 I HN 0.764 nan 8.210 nan 0.000 0.453 389 A N -0.511 122.136 122.820 -0.287 0.000 2.030 389 A HA 0.206 4.525 4.320 -0.001 0.000 0.215 389 A C 1.068 178.580 177.584 -0.119 0.000 1.164 389 A CA 0.365 52.284 52.037 -0.196 0.000 0.697 389 A CB -0.067 18.831 19.000 -0.170 0.000 0.827 389 A HN 0.371 nan 8.150 nan 0.000 0.457 390 S N 1.259 116.882 115.700 -0.128 0.000 2.502 390 S HA 0.547 5.016 4.470 -0.001 0.000 0.304 390 S C -2.841 171.553 174.600 -0.344 0.000 1.097 390 S CA -1.198 56.874 58.200 -0.213 0.000 1.045 390 S CB 2.116 65.115 63.200 -0.335 0.000 1.019 390 S HN 0.251 nan 8.310 nan 0.000 0.481 391 P HA 0.228 nan 4.420 nan 0.000 0.274 391 P C 0.468 177.815 177.300 0.077 0.000 1.256 391 P CA -0.332 62.695 63.100 -0.123 0.000 0.795 391 P CB 0.666 32.322 31.700 -0.073 0.000 1.038 392 A N 1.233 124.066 122.820 0.020 0.000 1.883 392 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 392 A C 1.006 178.597 177.584 0.011 0.000 1.186 392 A CA 1.550 53.589 52.037 0.002 0.000 0.624 392 A CB -0.641 18.352 19.000 -0.012 0.000 0.822 392 A HN 0.573 nan 8.150 nan 0.000 0.444 393 E N 0.543 120.768 120.200 0.041 0.000 2.202 393 E HA 0.289 4.638 4.350 -0.001 0.000 0.272 393 E C -1.198 175.455 176.600 0.089 0.000 0.951 393 E CA -1.005 55.414 56.400 0.032 0.000 0.813 393 E CB 0.542 30.252 29.700 0.016 0.000 1.151 393 E HN 0.257 nan 8.360 nan 0.000 0.398 394 N N 1.177 119.916 118.700 0.065 0.000 2.412 394 N HA -0.016 4.723 4.740 -0.001 0.000 0.258 394 N C 0.780 176.254 175.510 -0.060 0.000 1.236 394 N CA 0.278 53.379 53.050 0.085 0.000 0.882 394 N CB 0.397 38.894 38.487 0.017 0.000 1.066 394 N HN 0.249 nan 8.380 nan 0.000 0.465 395 R N 1.199 121.570 120.500 -0.214 0.000 2.339 395 R HA 0.036 4.376 4.340 -0.001 0.000 0.199 395 R C -0.213 175.702 176.300 -0.641 0.000 1.018 395 R CA 0.660 56.522 56.100 -0.397 0.000 1.036 395 R CB -0.095 29.867 30.300 -0.563 0.000 0.899 395 R HN 0.543 nan 8.270 nan 0.000 0.473 396 H N -1.261 117.585 119.070 -0.373 0.000 2.930 396 H HA 0.253 4.808 4.556 -0.001 0.000 0.371 396 H C -0.953 174.104 175.328 -0.452 0.000 1.169 396 H CA -1.046 54.612 56.048 -0.650 0.000 1.157 396 H CB 1.849 30.670 29.762 -1.569 0.000 1.789 396 H HN -0.272 nan 8.280 nan 0.000 0.547 397 V N 3.144 122.928 119.914 -0.218 0.000 2.364 397 V HA 0.061 4.180 4.120 -0.001 0.000 0.272 397 V C 0.464 176.495 176.094 -0.105 0.000 1.036 397 V CA -0.635 61.498 62.300 -0.277 0.000 0.880 397 V CB 1.242 32.709 31.823 -0.594 0.000 0.991 397 V HN 0.407 nan 8.190 nan 0.000 0.460 398 L N 7.451 128.687 121.223 0.022 0.000 2.583 398 L HA 0.410 4.749 4.340 -0.001 0.000 0.239 398 L C -0.135 176.947 176.870 0.353 0.000 1.347 398 L CA -0.238 54.790 54.840 0.314 0.000 1.246 398 L CB -1.154 40.999 42.059 0.157 0.000 1.496 398 L HN 0.528 nan 8.230 nan 0.000 0.413 399 Y N 1.702 122.263 120.300 0.434 0.000 2.969 399 Y HA 0.231 4.780 4.550 -0.001 0.000 0.339 399 Y C 1.769 177.903 175.900 0.390 0.000 1.272 399 Y CA 1.444 59.749 58.100 0.341 0.000 1.577 399 Y CB 0.069 38.667 38.460 0.230 0.000 1.234 399 Y HN 0.664 nan 8.280 nan 0.000 0.590 400 G N 0.827 109.868 108.800 0.403 0.000 2.241 400 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.244 400 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.244 400 G C 0.302 175.203 174.900 0.002 0.000 0.998 400 G CA -0.242 45.010 45.100 0.255 0.000 0.621 400 G HN 1.154 nan 8.290 nan 0.000 0.519 401 A N 0.433 123.201 122.820 -0.086 0.000 2.454 401 A HA 0.662 4.981 4.320 -0.001 0.000 0.260 401 A C 0.170 177.584 177.584 -0.283 0.000 1.106 401 A CA 0.300 52.054 52.037 -0.472 0.000 0.780 401 A CB 0.685 19.531 19.000 -0.256 0.000 1.044 401 A HN 1.511 nan 8.150 nan 0.000 0.498 402 L N 5.345 126.336 121.223 -0.387 0.000 2.265 402 L HA 0.511 4.851 4.340 -0.001 0.000 0.288 402 L C 0.348 177.163 176.870 -0.092 0.000 1.058 402 L CA -0.167 54.475 54.840 -0.330 0.000 0.809 402 L CB 0.977 42.667 42.059 -0.615 0.000 1.179 402 L HN 0.694 nan 8.230 nan 0.000 0.429 403 V N 3.019 122.911 119.914 -0.035 0.000 3.441 403 V HA 0.610 4.729 4.120 -0.001 0.000 0.300 403 V C 1.332 177.441 176.094 0.025 0.000 1.062 403 V CA 0.366 62.724 62.300 0.097 0.000 1.064 403 V CB 0.253 32.153 31.823 0.129 0.000 1.197 403 V HN 0.789 nan 8.190 nan 0.000 0.451 404 G N -0.530 108.338 108.800 0.113 0.000 2.404 404 G HA2 0.392 4.351 3.960 -0.001 0.000 0.215 404 G HA3 0.392 4.351 3.960 -0.001 0.000 0.215 404 G C 1.045 175.817 174.900 -0.214 0.000 1.174 404 G CA 1.009 46.086 45.100 -0.038 0.000 0.780 404 G HN 2.131 nan 8.290 nan 0.000 0.537 405 G N -0.645 108.020 108.800 -0.225 0.000 2.660 405 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.215 405 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.215 405 G C -2.872 171.902 174.900 -0.209 0.000 1.345 405 G CA -0.406 44.360 45.100 -0.556 0.000 0.877 405 G HN 0.412 nan 8.290 nan 0.000 0.549 406 P HA 0.342 nan 4.420 nan 0.000 0.267 406 P C 0.857 178.115 177.300 -0.069 0.000 1.205 406 P CA 1.032 64.105 63.100 -0.046 0.000 0.765 406 P CB 0.802 32.488 31.700 -0.022 0.000 0.828 407 G N 1.512 110.293 108.800 -0.031 0.000 3.126 407 G HA2 0.102 4.062 3.960 -0.001 0.000 0.224 407 G HA3 0.102 4.062 3.960 -0.001 0.000 0.224 407 G C 0.090 174.971 174.900 -0.031 0.000 1.142 407 G CA 0.117 45.199 45.100 -0.031 0.000 0.759 407 G HN 0.467 nan 8.290 nan 0.000 0.550 408 S N 0.294 115.975 115.700 -0.031 0.000 2.599 408 S HA 0.517 4.986 4.470 -0.001 0.000 0.287 408 S C -2.800 171.779 174.600 -0.036 0.000 1.105 408 S CA -1.006 57.176 58.200 -0.030 0.000 0.899 408 S CB 2.722 65.912 63.200 -0.017 0.000 1.100 408 S HN -0.009 nan 8.310 nan 0.000 0.482 409 P HA 0.208 nan 4.420 nan 0.000 0.226 409 P C -0.562 176.740 177.300 0.002 0.000 1.783 409 P CA -0.009 63.071 63.100 -0.034 0.000 0.980 409 P CB -0.833 30.844 31.700 -0.038 0.000 1.967 410 N N -0.314 118.397 118.700 0.018 0.000 2.142 410 N HA -0.023 4.716 4.740 -0.001 0.000 0.233 410 N C 0.064 175.619 175.510 0.076 0.000 1.335 410 N CA -0.349 52.726 53.050 0.041 0.000 0.837 410 N CB -0.544 37.961 38.487 0.030 0.000 1.238 410 N HN -0.115 nan 8.380 nan 0.000 0.501 411 D N -0.574 119.886 120.400 0.099 0.000 3.039 411 D HA -0.192 4.447 4.640 -0.001 0.000 0.222 411 D C -0.249 176.159 176.300 0.181 0.000 1.179 411 D CA 1.239 55.349 54.000 0.183 0.000 0.880 411 D CB -1.248 39.681 40.800 0.214 0.000 1.115 411 D HN 0.659 nan 8.370 nan 0.000 0.416 412 A N 0.114 123.016 122.820 0.136 0.000 2.316 412 A HA 0.618 4.938 4.320 -0.001 0.000 0.284 412 A C -0.481 177.238 177.584 0.225 0.000 1.115 412 A CA -0.294 51.827 52.037 0.141 0.000 0.812 412 A CB 1.203 20.246 19.000 0.073 0.000 1.064 412 A HN 0.319 nan 8.150 nan 0.000 0.489 413 Y N -0.103 120.232 120.300 0.059 0.000 2.521 413 Y HA 0.487 5.036 4.550 -0.001 0.000 0.326 413 Y C -1.051 174.874 175.900 0.043 0.000 1.176 413 Y CA -0.269 57.869 58.100 0.064 0.000 1.079 413 Y CB 1.284 39.845 38.460 0.168 0.000 1.341 413 Y HN 0.647 nan 8.280 nan 0.000 0.456 414 T N 4.727 118.810 114.554 -0.786 0.000 2.881 414 T HA 0.144 4.493 4.350 -0.001 0.000 0.291 414 T C -1.334 172.847 174.700 -0.865 0.000 0.990 414 T CA -0.636 61.081 62.100 -0.638 0.000 0.976 414 T CB 1.062 69.738 68.868 -0.319 0.000 0.970 414 T HN 0.584 nan 8.240 nan 0.000 0.438 415 D N 3.001 123.040 120.400 -0.602 0.000 2.598 415 D HA 0.061 4.701 4.640 -0.001 0.000 0.231 415 D C -0.479 175.700 176.300 -0.201 0.000 1.127 415 D CA 0.001 53.813 54.000 -0.314 0.000 1.126 415 D CB -0.115 40.636 40.800 -0.082 0.000 1.124 415 D HN 0.350 nan 8.370 nan 0.000 0.485 416 D N 0.693 120.961 120.400 -0.220 0.000 2.344 416 D HA 0.158 4.798 4.640 -0.001 0.000 0.239 416 D C 1.024 177.265 176.300 -0.098 0.000 1.064 416 D CA -0.624 53.282 54.000 -0.157 0.000 0.829 416 D CB 1.057 41.749 40.800 -0.179 0.000 1.129 416 D HN 0.139 nan 8.370 nan 0.000 0.506 417 R N 2.571 123.019 120.500 -0.087 0.000 2.189 417 R HA -0.044 4.295 4.340 -0.001 0.000 0.223 417 R C 0.985 177.314 176.300 0.049 0.000 1.092 417 R CA 1.181 57.263 56.100 -0.030 0.000 0.989 417 R CB 0.231 30.438 30.300 -0.155 0.000 0.876 417 R HN 0.545 nan 8.270 nan 0.000 0.457 418 Q N -0.058 119.704 119.800 -0.062 0.000 2.415 418 Q HA -0.030 4.310 4.340 -0.001 0.000 0.206 418 Q C -0.495 175.452 176.000 -0.088 0.000 0.946 418 Q CA 0.104 55.878 55.803 -0.048 0.000 0.951 418 Q CB 0.401 29.056 28.738 -0.139 0.000 1.026 418 Q HN 0.132 nan 8.270 nan 0.000 0.510 419 D N 0.028 120.349 120.400 -0.130 0.000 2.505 419 D HA 0.011 4.650 4.640 -0.001 0.000 0.242 419 D C 0.295 176.383 176.300 -0.353 0.000 1.136 419 D CA -0.724 53.088 54.000 -0.313 0.000 0.954 419 D CB 0.145 40.798 40.800 -0.245 0.000 1.002 419 D HN 0.212 nan 8.370 nan 0.000 0.512 420 Y N 1.063 121.118 120.300 -0.408 0.000 2.616 420 Y HA 0.073 4.622 4.550 -0.001 0.000 0.296 420 Y C 1.323 176.980 175.900 -0.404 0.000 1.154 420 Y CA -0.057 57.732 58.100 -0.519 0.000 1.325 420 Y CB -0.462 37.507 38.460 -0.819 0.000 1.007 420 Y HN 0.095 nan 8.280 nan 0.000 0.542 421 V N 0.202 119.622 119.914 -0.824 0.000 2.599 421 V HA 0.029 4.148 4.120 -0.001 0.000 0.245 421 V C 2.271 178.159 176.094 -0.344 0.000 1.046 421 V CA 1.523 63.300 62.300 -0.872 0.000 1.065 421 V CB -0.302 30.952 31.823 -0.948 0.000 0.703 421 V HN 0.564 nan 8.190 nan 0.000 0.464 422 A N -0.888 121.813 122.820 -0.198 0.000 2.192 422 A HA 0.209 4.528 4.320 -0.001 0.000 0.208 422 A C 1.440 179.112 177.584 0.146 0.000 1.220 422 A CA 0.337 52.374 52.037 -0.001 0.000 0.900 422 A CB -0.050 18.967 19.000 0.027 0.000 0.937 422 A HN 0.438 nan 8.150 nan 0.000 0.487 423 N N 0.603 119.368 118.700 0.109 0.000 2.389 423 N HA 0.170 4.910 4.740 -0.001 0.000 0.260 423 N C -0.361 175.292 175.510 0.239 0.000 1.191 423 N CA -0.030 53.146 53.050 0.210 0.000 0.885 423 N CB 0.193 38.771 38.487 0.151 0.000 1.162 423 N HN 0.625 nan 8.380 nan 0.000 0.512 424 E N -0.439 119.919 120.200 0.264 0.000 2.232 424 E HA 0.489 4.838 4.350 -0.001 0.000 0.265 424 E C -0.488 176.257 176.600 0.243 0.000 1.001 424 E CA -0.848 55.730 56.400 0.297 0.000 0.870 424 E CB 1.435 31.314 29.700 0.298 0.000 1.175 424 E HN 0.001 nan 8.360 nan 0.000 0.407 425 V N -1.130 118.851 119.914 0.111 0.000 3.158 425 V HA 1.036 5.155 4.120 -0.001 0.000 0.315 425 V C -0.595 175.332 176.094 -0.278 0.000 1.148 425 V CA -0.378 61.887 62.300 -0.058 0.000 1.042 425 V CB 1.159 33.067 31.823 0.142 0.000 1.101 425 V HN 0.872 nan 8.190 nan 0.000 0.448 426 A N 0.243 122.893 122.820 -0.284 0.000 2.583 426 A HA 0.619 4.939 4.320 -0.001 0.000 0.292 426 A C 0.515 178.185 177.584 0.142 0.000 1.045 426 A CA 0.103 52.062 52.037 -0.130 0.000 0.672 426 A CB 0.559 19.272 19.000 -0.478 0.000 1.283 426 A HN 1.886 nan 8.150 nan 0.000 0.419 427 T N -1.214 113.469 114.554 0.216 0.000 2.759 427 T HA -0.181 4.169 4.350 -0.001 0.000 0.269 427 T C 1.071 176.010 174.700 0.398 0.000 1.042 427 T CA 2.164 64.435 62.100 0.286 0.000 1.140 427 T CB -0.513 68.529 68.868 0.290 0.000 0.864 427 T HN 0.840 nan 8.240 nan 0.000 0.455 428 D N -0.567 120.066 120.400 0.387 0.000 2.355 428 D HA -0.100 4.539 4.640 -0.001 0.000 0.218 428 D C 1.311 177.916 176.300 0.509 0.000 1.004 428 D CA 0.211 54.509 54.000 0.497 0.000 0.880 428 D CB -0.336 40.796 40.800 0.554 0.000 0.911 428 D HN 0.352 nan 8.370 nan 0.000 0.528 429 Y N 1.264 121.666 120.300 0.170 0.000 2.337 429 Y HA 0.055 4.605 4.550 -0.001 0.000 0.293 429 Y C 1.575 177.488 175.900 0.023 0.000 1.123 429 Y CA 0.629 58.755 58.100 0.044 0.000 1.201 429 Y CB -0.405 38.023 38.460 -0.053 0.000 1.011 429 Y HN 0.001 nan 8.280 nan 0.000 0.545 430 N N -0.788 118.048 118.700 0.227 0.000 2.280 430 N HA 0.145 4.884 4.740 -0.001 0.000 0.192 430 N C 1.618 177.372 175.510 0.407 0.000 1.109 430 N CA 0.580 53.779 53.050 0.248 0.000 0.855 430 N CB 0.091 38.581 38.487 0.005 0.000 0.974 430 N HN 0.209 nan 8.380 nan 0.000 0.482 431 A N 0.098 123.152 122.820 0.389 0.000 1.840 431 A HA 0.075 4.395 4.320 -0.001 0.000 0.214 431 A C 2.210 179.867 177.584 0.121 0.000 1.198 431 A CA 1.699 53.905 52.037 0.281 0.000 0.608 431 A CB -1.083 18.094 19.000 0.295 0.000 0.839 431 A HN 0.314 nan 8.150 nan 0.000 0.443 432 G N -1.823 107.078 108.800 0.168 0.000 2.430 432 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.216 432 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.216 432 G C 1.399 176.315 174.900 0.026 0.000 1.146 432 G CA 0.942 46.082 45.100 0.066 0.000 0.793 432 G HN 0.408 nan 8.290 nan 0.000 0.537 433 F N 2.554 122.481 119.950 -0.039 0.000 2.134 433 F HA -0.074 4.452 4.527 -0.001 0.000 0.299 433 F C 2.739 178.475 175.800 -0.107 0.000 1.097 433 F CA 1.693 59.651 58.000 -0.069 0.000 1.264 433 F CB -0.301 38.669 39.000 -0.050 0.000 1.001 433 F HN 0.145 nan 8.300 nan 0.000 0.479 434 S N -0.559 115.087 115.700 -0.091 0.000 2.402 434 S HA -0.145 4.324 4.470 -0.001 0.000 0.229 434 S C 2.148 176.575 174.600 -0.288 0.000 1.021 434 S CA 1.268 59.355 58.200 -0.187 0.000 0.974 434 S CB -0.435 62.809 63.200 0.074 0.000 0.800 434 S HN 0.397 nan 8.310 nan 0.000 0.484 435 S N 1.616 117.077 115.700 -0.398 0.000 2.406 435 S HA 0.082 4.551 4.470 -0.001 0.000 0.228 435 S C 2.194 176.486 174.600 -0.513 0.000 1.020 435 S CA 0.785 58.581 58.200 -0.673 0.000 0.965 435 S CB -0.331 61.862 63.200 -1.678 0.000 0.798 435 S HN 0.596 nan 8.310 nan 0.000 0.488 436 A N 1.819 124.416 122.820 -0.371 0.000 1.854 436 A HA 0.077 4.397 4.320 -0.001 0.000 0.214 436 A C 2.058 179.462 177.584 -0.300 0.000 1.192 436 A CA 0.945 52.871 52.037 -0.185 0.000 0.611 436 A CB -0.816 18.102 19.000 -0.136 0.000 0.832 436 A HN 0.422 nan 8.150 nan 0.000 0.442 437 L N -0.437 120.519 121.223 -0.446 0.000 2.089 437 L HA -0.283 4.057 4.340 -0.001 0.000 0.213 437 L C 3.021 179.675 176.870 -0.361 0.000 1.079 437 L CA 1.266 55.833 54.840 -0.454 0.000 0.758 437 L CB -0.593 41.140 42.059 -0.543 0.000 0.891 437 L HN 0.453 nan 8.230 nan 0.000 0.433 438 A N -0.602 121.975 122.820 -0.404 0.000 1.969 438 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 438 A C 2.318 179.787 177.584 -0.192 0.000 1.169 438 A CA 1.429 53.218 52.037 -0.414 0.000 0.635 438 A CB -0.314 18.364 19.000 -0.537 0.000 0.810 438 A HN 0.317 nan 8.150 nan 0.000 0.445 439 M N -0.776 118.745 119.600 -0.133 0.000 2.349 439 M HA 0.065 4.544 4.480 -0.001 0.000 0.266 439 M C 1.834 178.090 176.300 -0.074 0.000 1.076 439 M CA 1.021 56.296 55.300 -0.043 0.000 1.126 439 M CB -0.672 31.947 32.600 0.033 0.000 1.392 439 M HN 0.383 nan 8.290 nan 0.000 0.440 440 L N -0.893 120.237 121.223 -0.156 0.000 2.307 440 L HA -0.040 4.299 4.340 -0.001 0.000 0.211 440 L C 2.331 179.200 176.870 -0.002 0.000 1.099 440 L CA 0.149 54.895 54.840 -0.157 0.000 0.816 440 L CB -0.344 41.355 42.059 -0.599 0.000 0.952 440 L HN 0.028 nan 8.230 nan 0.000 0.455 441 V N -0.013 119.885 119.914 -0.026 0.000 2.453 441 V HA -0.245 3.874 4.120 -0.001 0.000 0.247 441 V C 2.439 178.560 176.094 0.045 0.000 1.048 441 V CA 1.757 64.096 62.300 0.065 0.000 1.049 441 V CB -0.350 31.460 31.823 -0.021 0.000 0.672 441 V HN 0.488 nan 8.190 nan 0.000 0.457 442 E N 0.103 120.299 120.200 -0.006 0.000 2.110 442 E HA -0.274 4.075 4.350 -0.001 0.000 0.193 442 E C 2.226 178.812 176.600 -0.023 0.000 0.988 442 E CA 1.625 58.023 56.400 -0.004 0.000 0.804 442 E CB 0.069 29.767 29.700 -0.004 0.000 0.745 442 E HN 0.743 nan 8.360 nan 0.000 0.458 443 E N -1.183 118.975 120.200 -0.070 0.000 2.075 443 E HA -0.103 4.246 4.350 -0.001 0.000 0.190 443 E C 1.196 177.651 176.600 -0.243 0.000 0.969 443 E CA 0.570 56.840 56.400 -0.218 0.000 0.815 443 E CB 0.125 29.589 29.700 -0.394 0.000 0.776 443 E HN 0.311 nan 8.360 nan 0.000 0.457 444 Y N -0.384 119.983 120.300 0.112 0.000 2.458 444 Y HA 0.320 4.870 4.550 -0.001 0.000 0.254 444 Y C 1.043 177.026 175.900 0.138 0.000 1.120 444 Y CA 0.417 58.611 58.100 0.157 0.000 1.282 444 Y CB 1.141 39.771 38.460 0.283 0.000 1.109 444 Y HN 0.213 nan 8.280 nan 0.000 0.526 445 G N -0.107 108.844 108.800 0.251 0.000 2.681 445 G HA2 0.298 4.258 3.960 -0.001 0.000 0.220 445 G HA3 0.298 4.258 3.960 -0.001 0.000 0.220 445 G C -0.042 174.951 174.900 0.155 0.000 1.353 445 G CA -0.249 44.946 45.100 0.159 0.000 0.872 445 G HN 1.052 nan 8.290 nan 0.000 0.557 446 G N -2.998 105.852 108.800 0.083 0.000 2.361 446 G HA2 0.697 4.656 3.960 -0.001 0.000 0.305 446 G HA3 0.697 4.656 3.960 -0.001 0.000 0.305 446 G C -0.545 174.373 174.900 0.030 0.000 1.367 446 G CA 0.641 45.768 45.100 0.045 0.000 0.951 446 G HN 2.752 nan 8.290 nan 0.000 0.615 447 T N -0.189 114.374 114.554 0.015 0.000 2.928 447 T HA 0.794 5.143 4.350 -0.001 0.000 0.296 447 T C -2.769 171.933 174.700 0.003 0.000 1.000 447 T CA -1.375 60.733 62.100 0.013 0.000 0.989 447 T CB 2.915 71.790 68.868 0.012 0.000 1.005 447 T HN 0.604 nan 8.240 nan 0.000 0.442 448 P HA 0.325 nan 4.420 nan 0.000 0.273 448 P C -0.500 176.791 177.300 -0.015 0.000 1.250 448 P CA -0.679 62.410 63.100 -0.020 0.000 0.793 448 P CB 0.976 32.682 31.700 0.011 0.000 1.011 449 L N 0.675 121.869 121.223 -0.048 0.000 2.326 449 L HA 0.297 4.636 4.340 -0.001 0.000 0.278 449 L C 1.817 178.717 176.870 0.050 0.000 1.092 449 L CA -0.547 54.287 54.840 -0.010 0.000 0.810 449 L CB 0.879 42.915 42.059 -0.039 0.000 1.153 449 L HN 0.420 nan 8.230 nan 0.000 0.439 450 A N 2.210 125.063 122.820 0.055 0.000 1.854 450 A HA -0.101 4.218 4.320 -0.001 0.000 0.214 450 A C 0.782 178.419 177.584 0.088 0.000 1.192 450 A CA 1.069 53.147 52.037 0.069 0.000 0.611 450 A CB -0.279 18.751 19.000 0.050 0.000 0.832 450 A HN 0.828 nan 8.150 nan 0.000 0.442 451 D N -1.058 119.389 120.400 0.077 0.000 2.468 451 D HA 0.409 5.048 4.640 -0.001 0.000 0.218 451 D C -0.889 175.477 176.300 0.110 0.000 1.155 451 D CA -0.163 53.879 54.000 0.069 0.000 0.924 451 D CB 0.230 41.055 40.800 0.042 0.000 1.029 451 D HN 0.151 nan 8.370 nan 0.000 0.515 452 F N 2.140 122.043 119.950 -0.077 0.000 2.615 452 F HA 0.452 4.979 4.527 -0.001 0.000 0.312 452 F C -2.826 172.893 175.800 -0.135 0.000 1.119 452 F CA -1.714 56.189 58.000 -0.162 0.000 0.979 452 F CB 1.766 40.650 39.000 -0.193 0.000 1.266 452 F HN -0.026 nan 8.300 nan 0.000 0.444 453 P HA 0.472 nan 4.420 nan 0.000 0.281 453 P C -2.729 174.261 177.300 -0.517 0.000 1.249 453 P CA -1.228 60.996 63.100 -1.460 0.000 0.810 453 P CB 0.308 31.225 31.700 -1.306 0.000 1.008 454 P HA 0.140 nan 4.420 nan 0.000 0.272 454 P C -0.646 176.661 177.300 0.011 0.000 1.230 454 P CA -0.014 63.045 63.100 -0.069 0.000 0.788 454 P CB 0.254 31.980 31.700 0.044 0.000 0.949 455 T N 1.882 116.469 114.554 0.055 0.000 2.738 455 T HA 0.199 4.548 4.350 -0.001 0.000 0.298 455 T C 0.075 174.863 174.700 0.148 0.000 0.962 455 T CA -0.518 61.645 62.100 0.105 0.000 0.972 455 T CB 0.108 69.015 68.868 0.065 0.000 0.928 455 T HN 0.322 nan 8.240 nan 0.000 0.474 456 E N 2.626 122.983 120.200 0.262 0.000 2.392 456 E HA 0.253 4.602 4.350 -0.001 0.000 0.256 456 E C 0.301 176.944 176.600 0.071 0.000 1.145 456 E CA -0.503 56.063 56.400 0.276 0.000 0.929 456 E CB 0.739 30.796 29.700 0.594 0.000 0.998 456 E HN 0.724 nan 8.360 nan 0.000 0.442 457 E N 0.662 120.785 120.200 -0.128 0.000 2.266 457 E HA 0.443 4.792 4.350 -0.001 0.000 0.268 457 E C -2.708 173.377 176.600 -0.858 0.000 0.879 457 E CA -2.501 53.664 56.400 -0.392 0.000 0.762 457 E CB 1.277 30.852 29.700 -0.208 0.000 1.199 457 E HN 0.065 nan 8.360 nan 0.000 0.422 458 P HA -0.056 nan 4.420 nan 0.000 0.267 458 P C -0.291 176.532 177.300 -0.797 0.000 1.201 458 P CA 0.123 62.261 63.100 -1.604 0.000 0.775 458 P CB 0.379 31.635 31.700 -0.741 0.000 0.854 459 D N 0.441 120.527 120.400 -0.524 0.000 2.352 459 D HA 0.292 4.932 4.640 -0.001 0.000 0.236 459 D C 0.789 177.015 176.300 -0.124 0.000 1.148 459 D CA -0.202 53.711 54.000 -0.145 0.000 0.844 459 D CB -0.419 40.430 40.800 0.082 0.000 0.933 459 D HN 0.500 nan 8.370 nan 0.000 0.507 460 G N -0.480 108.211 108.800 -0.181 0.000 2.350 460 G HA2 0.168 4.127 3.960 -0.001 0.000 0.282 460 G HA3 0.168 4.127 3.960 -0.001 0.000 0.282 460 G C -2.865 171.928 174.900 -0.178 0.000 1.314 460 G CA -1.085 43.910 45.100 -0.176 0.000 0.915 460 G HN 0.076 nan 8.290 nan 0.000 0.499 461 P HA 0.341 nan 4.420 nan 0.000 0.269 461 P C 0.317 177.567 177.300 -0.084 0.000 1.209 461 P CA 0.129 63.110 63.100 -0.199 0.000 0.776 461 P CB 1.059 32.382 31.700 -0.628 0.000 0.876 462 E N 0.872 121.123 120.200 0.086 0.000 2.175 462 E HA 0.166 4.515 4.350 -0.001 0.000 0.195 462 E C 0.250 176.950 176.600 0.166 0.000 0.934 462 E CA 0.416 56.899 56.400 0.139 0.000 0.870 462 E CB 0.268 30.072 29.700 0.173 0.000 0.838 462 E HN 0.369 nan 8.360 nan 0.000 0.474 463 I N 2.058 122.725 120.570 0.160 0.000 2.410 463 I HA 0.311 4.480 4.170 -0.001 0.000 0.286 463 I C -0.893 175.227 176.117 0.005 0.000 1.009 463 I CA -0.802 60.523 61.300 0.041 0.000 1.111 463 I CB 0.871 38.909 38.000 0.063 0.000 1.262 463 I HN -0.012 nan 8.210 nan 0.000 0.443 464 F N 4.992 124.658 119.950 -0.473 0.000 3.016 464 F HA 0.841 5.368 4.527 -0.001 0.000 0.324 464 F C -1.582 173.731 175.800 -0.812 0.000 1.196 464 F CA -1.206 56.159 58.000 -1.057 0.000 0.929 464 F CB 0.980 38.939 39.000 -1.735 0.000 1.440 464 F HN -0.057 nan 8.300 nan 0.000 0.505 465 V N 0.831 120.226 119.914 -0.864 0.000 2.577 465 V HA 0.434 4.553 4.120 -0.001 0.000 0.303 465 V C -0.835 175.180 176.094 -0.132 0.000 1.042 465 V CA -0.689 61.360 62.300 -0.419 0.000 0.872 465 V CB 1.567 33.248 31.823 -0.236 0.000 0.998 465 V HN 0.768 nan 8.190 nan 0.000 0.423 466 E N 2.380 122.513 120.200 -0.111 0.000 2.212 466 E HA 0.870 5.219 4.350 -0.001 0.000 0.270 466 E C -0.404 176.225 176.600 0.048 0.000 0.956 466 E CA -0.575 55.852 56.400 0.044 0.000 0.825 466 E CB 2.502 32.231 29.700 0.048 0.000 1.167 466 E HN 0.867 nan 8.360 nan 0.000 0.400 467 A N 1.844 124.723 122.820 0.099 0.000 2.602 467 A HA 0.613 4.932 4.320 -0.001 0.000 0.290 467 A C -1.672 175.977 177.584 0.107 0.000 1.114 467 A CA -0.718 51.391 52.037 0.119 0.000 0.683 467 A CB 1.978 21.088 19.000 0.183 0.000 1.281 467 A HN 0.632 nan 8.150 nan 0.000 0.416 468 Q N -0.295 119.571 119.800 0.109 0.000 2.702 468 Q HA 0.590 4.929 4.340 -0.001 0.000 0.289 468 Q C -1.757 174.300 176.000 0.095 0.000 0.923 468 Q CA -0.834 55.020 55.803 0.085 0.000 0.787 468 Q CB 0.880 29.661 28.738 0.071 0.000 1.476 468 Q HN 0.618 nan 8.270 nan 0.000 0.402 469 I N 2.843 123.469 120.570 0.093 0.000 2.363 469 I HA 0.061 4.230 4.170 -0.001 0.000 0.292 469 I C 0.708 176.878 176.117 0.088 0.000 1.075 469 I CA -0.211 61.159 61.300 0.116 0.000 1.333 469 I CB 0.448 38.534 38.000 0.143 0.000 1.415 469 I HN 0.715 nan 8.210 nan 0.000 0.502 470 N N 4.005 122.751 118.700 0.077 0.000 2.135 470 N HA -0.046 4.693 4.740 -0.001 0.000 0.186 470 N C -0.022 175.536 175.510 0.079 0.000 1.027 470 N CA 1.173 54.265 53.050 0.069 0.000 0.849 470 N CB 0.420 38.939 38.487 0.054 0.000 1.002 470 N HN 0.567 nan 8.380 nan 0.000 0.425 471 T N 2.227 116.845 114.554 0.108 0.000 3.031 471 T HA 0.330 4.680 4.350 -0.001 0.000 0.305 471 T C -2.854 171.951 174.700 0.175 0.000 0.985 471 T CA -1.142 61.042 62.100 0.140 0.000 1.008 471 T CB 2.393 71.357 68.868 0.159 0.000 1.005 471 T HN 0.068 nan 8.240 nan 0.000 0.444 472 P HA 0.449 nan 4.420 nan 0.000 0.268 472 P C -0.169 177.076 177.300 -0.092 0.000 1.204 472 P CA 0.048 63.163 63.100 0.025 0.000 0.768 472 P CB 0.921 32.637 31.700 0.028 0.000 0.842 473 G N 0.422 108.983 108.800 -0.399 0.000 2.720 473 G HA2 0.451 4.410 3.960 -0.001 0.000 0.295 473 G HA3 0.451 4.410 3.960 -0.001 0.000 0.295 473 G C 0.263 174.725 174.900 -0.731 0.000 1.437 473 G CA -0.376 44.120 45.100 -1.005 0.000 0.886 473 G HN 0.451 nan 8.290 nan 0.000 0.509 474 T N -3.077 111.153 114.554 -0.540 0.000 3.001 474 T HA 0.114 4.463 4.350 -0.001 0.000 0.251 474 T C 1.547 176.161 174.700 -0.144 0.000 1.040 474 T CA 1.362 63.319 62.100 -0.238 0.000 0.985 474 T CB 0.217 69.015 68.868 -0.116 0.000 1.011 474 T HN 0.729 nan 8.240 nan 0.000 0.509 475 T N 0.020 114.413 114.554 -0.268 0.000 3.044 475 T HA 0.522 4.872 4.350 -0.001 0.000 0.260 475 T C -0.059 174.500 174.700 -0.236 0.000 1.019 475 T CA -0.697 61.360 62.100 -0.072 0.000 0.921 475 T CB -0.535 68.359 68.868 0.043 0.000 1.053 475 T HN 0.576 nan 8.240 nan 0.000 0.533 476 F N -1.150 118.561 119.950 -0.398 0.000 2.713 476 F HA 0.746 5.273 4.527 -0.001 0.000 0.311 476 F C -1.523 174.044 175.800 -0.389 0.000 1.141 476 F CA -1.284 56.297 58.000 -0.698 0.000 0.939 476 F CB 1.096 39.822 39.000 -0.456 0.000 1.325 476 F HN -0.253 nan 8.300 nan 0.000 0.453 477 T N 1.022 115.488 114.554 -0.146 0.000 2.847 477 T HA 0.334 4.683 4.350 -0.001 0.000 0.291 477 T C -1.368 173.315 174.700 -0.028 0.000 0.998 477 T CA -0.472 61.618 62.100 -0.017 0.000 0.967 477 T CB 1.314 70.212 68.868 0.050 0.000 0.954 477 T HN 0.763 nan 8.240 nan 0.000 0.441 478 E N 4.385 124.632 120.200 0.078 0.000 2.113 478 E HA 0.411 4.760 4.350 -0.001 0.000 0.273 478 E C -0.591 175.928 176.600 -0.136 0.000 0.924 478 E CA -0.676 55.681 56.400 -0.073 0.000 0.764 478 E CB 0.510 30.240 29.700 0.049 0.000 1.104 478 E HN 0.363 nan 8.360 nan 0.000 0.406 479 I N 3.758 124.073 120.570 -0.425 0.000 2.607 479 I HA 0.300 4.470 4.170 -0.001 0.000 0.305 479 I C -0.050 175.994 176.117 -0.122 0.000 0.995 479 I CA -0.690 60.441 61.300 -0.281 0.000 1.148 479 I CB 1.574 39.296 38.000 -0.463 0.000 1.323 479 I HN 0.537 nan 8.210 nan 0.000 0.461 480 K N 4.264 124.698 120.400 0.057 0.000 2.507 480 K HA 0.716 5.035 4.320 -0.001 0.000 0.253 480 K C -1.100 175.595 176.600 0.158 0.000 0.969 480 K CA -0.365 55.994 56.287 0.119 0.000 0.908 480 K CB 1.273 33.830 32.500 0.095 0.000 1.127 480 K HN 0.771 nan 8.250 nan 0.000 0.437 481 A N 3.916 126.873 122.820 0.227 0.000 2.294 481 A HA 0.785 5.104 4.320 -0.001 0.000 0.330 481 A C -1.049 176.561 177.584 0.044 0.000 1.133 481 A CA -0.835 51.289 52.037 0.144 0.000 0.836 481 A CB 1.158 20.265 19.000 0.178 0.000 1.190 481 A HN 0.771 nan 8.150 nan 0.000 0.492 482 M N 2.077 121.644 119.600 -0.055 0.000 2.183 482 M HA 0.495 4.974 4.480 -0.001 0.000 0.277 482 M C -1.601 174.560 176.300 -0.231 0.000 0.995 482 M CA -0.025 55.207 55.300 -0.112 0.000 0.969 482 M CB 1.125 33.667 32.600 -0.096 0.000 1.659 482 M HN 0.578 nan 8.290 nan 0.000 0.462 483 I N 4.861 125.299 120.570 -0.221 0.000 2.519 483 I HA 0.445 4.615 4.170 -0.001 0.000 0.287 483 I C 0.113 175.987 176.117 -0.405 0.000 1.047 483 I CA -0.537 60.587 61.300 -0.293 0.000 1.381 483 I CB 0.589 38.508 38.000 -0.134 0.000 1.417 483 I HN 0.553 nan 8.210 nan 0.000 0.540 484 R N 4.107 124.241 120.500 -0.609 0.000 2.744 484 R HA 0.415 4.754 4.340 -0.001 0.000 0.279 484 R C -1.078 174.951 176.300 -0.451 0.000 0.977 484 R CA -0.942 54.781 56.100 -0.629 0.000 0.906 484 R CB 1.912 31.524 30.300 -1.146 0.000 1.197 484 R HN 0.497 nan 8.270 nan 0.000 0.463 485 N N 1.944 120.527 118.700 -0.196 0.000 2.577 485 N HA 0.143 4.882 4.740 -0.001 0.000 0.275 485 N C -1.017 174.469 175.510 -0.040 0.000 1.091 485 N CA -0.167 52.843 53.050 -0.066 0.000 0.843 485 N CB 1.241 39.747 38.487 0.032 0.000 1.295 485 N HN 0.533 nan 8.380 nan 0.000 0.530 486 Q N 0.945 120.663 119.800 -0.137 0.000 2.158 486 Q HA 0.208 4.547 4.340 -0.001 0.000 0.306 486 Q C -0.181 175.790 176.000 -0.048 0.000 0.878 486 Q CA -0.503 55.110 55.803 -0.316 0.000 1.136 486 Q CB 0.423 28.589 28.738 -0.953 0.000 1.253 486 Q HN 0.559 nan 8.270 nan 0.000 0.441 487 S N -0.385 115.371 115.700 0.093 0.000 2.585 487 S HA 0.505 4.974 4.470 -0.001 0.000 0.273 487 S C 0.945 175.666 174.600 0.203 0.000 1.339 487 S CA 0.141 58.461 58.200 0.200 0.000 1.028 487 S CB 1.358 64.676 63.200 0.197 0.000 0.906 487 S HN 0.455 nan 8.310 nan 0.000 0.528 488 G N 0.059 109.021 108.800 0.269 0.000 4.818 488 G HA2 0.252 4.211 3.960 -0.001 0.000 0.253 488 G HA3 0.252 4.211 3.960 -0.001 0.000 0.253 488 G C -0.467 174.334 174.900 -0.165 0.000 0.986 488 G CA -0.450 44.640 45.100 -0.016 0.000 0.785 488 G HN 0.695 nan 8.290 nan 0.000 0.325 489 W N 2.131 123.590 121.300 0.265 0.000 1.259 489 W HA 0.295 4.954 4.660 -0.001 0.000 0.299 489 W C -2.584 174.031 176.519 0.160 0.000 0.843 489 W CA -0.986 56.502 57.345 0.239 0.000 2.171 489 W CB 1.500 31.088 29.460 0.213 0.000 1.945 489 W HN 0.130 nan 8.180 nan 0.000 0.493 490 P HA 0.534 nan 4.420 nan 0.000 0.289 490 P C -0.256 177.148 177.300 0.173 0.000 1.300 490 P CA -0.391 62.809 63.100 0.167 0.000 0.828 490 P CB 1.573 33.335 31.700 0.104 0.000 1.235 491 A N 1.031 123.938 122.820 0.145 0.000 2.440 491 A HA 0.452 4.771 4.320 -0.001 0.000 0.251 491 A C 0.632 178.303 177.584 0.145 0.000 1.089 491 A CA -0.211 51.921 52.037 0.158 0.000 0.779 491 A CB -0.214 18.882 19.000 0.161 0.000 1.022 491 A HN 0.610 nan 8.150 nan 0.000 0.492 492 R N 1.658 122.251 120.500 0.156 0.000 2.808 492 R HA 0.738 5.078 4.340 -0.001 0.000 0.272 492 R C -0.900 175.489 176.300 0.148 0.000 0.995 492 R CA -1.023 55.155 56.100 0.131 0.000 0.917 492 R CB 1.084 31.454 30.300 0.116 0.000 1.217 492 R HN 0.556 nan 8.270 nan 0.000 0.471 493 M N 1.692 121.359 119.600 0.111 0.000 2.274 493 M HA 0.313 4.792 4.480 -0.001 0.000 0.344 493 M C -1.276 175.092 176.300 0.114 0.000 1.161 493 M CA -0.976 54.396 55.300 0.119 0.000 1.126 493 M CB 1.094 33.720 32.600 0.044 0.000 1.522 493 M HN 0.642 nan 8.290 nan 0.000 0.461 494 L N 5.658 126.958 121.223 0.130 0.000 2.433 494 L HA 0.464 4.803 4.340 -0.001 0.000 0.256 494 L C -0.798 176.131 176.870 0.097 0.000 1.063 494 L CA 0.147 55.049 54.840 0.104 0.000 0.922 494 L CB 0.458 42.574 42.059 0.095 0.000 1.238 494 L HN 0.856 nan 8.230 nan 0.000 0.466 495 D N 1.280 121.727 120.400 0.078 0.000 2.433 495 D HA 0.082 4.721 4.640 -0.001 0.000 0.211 495 D C 0.049 176.380 176.300 0.051 0.000 1.114 495 D CA 0.149 54.188 54.000 0.065 0.000 0.837 495 D CB 0.257 41.087 40.800 0.050 0.000 0.984 495 D HN 0.411 nan 8.370 nan 0.000 0.505 496 K N 0.613 121.047 120.400 0.056 0.000 3.253 496 K HA 0.457 4.776 4.320 -0.001 0.000 0.174 496 K C -0.175 176.465 176.600 0.066 0.000 1.071 496 K CA -0.446 55.870 56.287 0.049 0.000 0.836 496 K CB 1.702 34.228 32.500 0.043 0.000 0.922 496 K HN 0.083 nan 8.250 nan 0.000 0.565 497 G N 0.661 109.506 108.800 0.074 0.000 2.400 497 G HA2 0.560 4.519 3.960 -0.001 0.000 0.333 497 G HA3 0.560 4.519 3.960 -0.001 0.000 0.333 497 G C -0.259 174.696 174.900 0.093 0.000 1.143 497 G CA -0.311 44.855 45.100 0.110 0.000 0.914 497 G HN 0.150 nan 8.290 nan 0.000 0.480 498 T N -1.699 112.936 114.554 0.135 0.000 2.864 498 T HA 0.780 5.129 4.350 -0.001 0.000 0.299 498 T C -0.967 173.881 174.700 0.247 0.000 1.166 498 T CA -0.844 61.286 62.100 0.050 0.000 1.007 498 T CB 1.899 70.719 68.868 -0.079 0.000 1.219 498 T HN 1.330 nan 8.240 nan 0.000 0.506 499 F N -1.227 118.768 119.950 0.075 0.000 2.631 499 F HA 0.851 5.377 4.527 -0.001 0.000 0.308 499 F C -1.050 174.778 175.800 0.048 0.000 1.097 499 F CA -1.407 56.694 58.000 0.168 0.000 0.952 499 F CB 1.628 40.730 39.000 0.169 0.000 1.307 499 F HN 0.712 nan 8.300 nan 0.000 0.450 500 R N 1.730 122.451 120.500 0.369 0.000 2.637 500 R HA 0.452 4.792 4.340 -0.001 0.000 0.291 500 R C -2.123 174.285 176.300 0.179 0.000 0.963 500 R CA -1.087 54.965 56.100 -0.079 0.000 0.901 500 R CB 2.447 32.182 30.300 -0.941 0.000 1.160 500 R HN 0.861 nan 8.270 nan 0.000 0.457 501 Y N 2.709 123.082 120.300 0.121 0.000 2.376 501 Y HA 0.300 4.849 4.550 -0.001 0.000 0.326 501 Y C -1.033 175.151 175.900 0.473 0.000 0.970 501 Y CA -0.817 57.566 58.100 0.470 0.000 1.248 501 Y CB 0.918 39.771 38.460 0.655 0.000 1.117 501 Y HN 0.521 nan 8.280 nan 0.000 0.476 502 W N 8.019 129.568 121.300 0.414 0.000 2.313 502 W HA 0.406 5.065 4.660 -0.001 0.000 0.328 502 W C -0.828 175.955 176.519 0.441 0.000 1.197 502 W CA -0.278 57.319 57.345 0.421 0.000 1.235 502 W CB 1.366 31.009 29.460 0.305 0.000 1.158 502 W HN 0.586 nan 8.180 nan 0.000 0.578 503 F N -0.814 119.487 119.950 0.585 0.000 2.668 503 F HA 0.569 5.096 4.527 -0.001 0.000 0.309 503 F C -0.849 175.152 175.800 0.336 0.000 1.117 503 F CA -1.231 57.015 58.000 0.409 0.000 0.951 503 F CB 0.816 40.083 39.000 0.446 0.000 1.323 503 F HN -0.095 nan 8.300 nan 0.000 0.451 504 T N 3.687 118.432 114.554 0.318 0.000 2.767 504 T HA 0.443 4.793 4.350 -0.001 0.000 0.284 504 T C -0.518 174.296 174.700 0.190 0.000 0.973 504 T CA -0.377 61.836 62.100 0.187 0.000 0.996 504 T CB 1.161 70.106 68.868 0.129 0.000 0.927 504 T HN 0.747 nan 8.240 nan 0.000 0.456 505 L N 4.641 125.978 121.223 0.191 0.000 2.499 505 L HA 0.158 4.498 4.340 -0.001 0.000 0.273 505 L C 0.251 177.152 176.870 0.051 0.000 1.195 505 L CA 0.653 55.574 54.840 0.135 0.000 0.882 505 L CB 0.231 42.361 42.059 0.118 0.000 1.133 505 L HN 0.605 nan 8.230 nan 0.000 0.483 506 D N 2.934 123.328 120.400 -0.009 0.000 2.326 506 D HA 0.116 4.756 4.640 -0.001 0.000 0.251 506 D C -0.595 175.708 176.300 0.005 0.000 1.023 506 D CA -0.603 53.377 54.000 -0.033 0.000 0.966 506 D CB 1.218 41.947 40.800 -0.118 0.000 1.156 506 D HN 0.408 nan 8.370 nan 0.000 0.494 507 E N -0.333 119.869 120.200 0.003 0.000 2.406 507 E HA 0.279 4.628 4.350 -0.001 0.000 0.258 507 E C 0.785 177.398 176.600 0.021 0.000 1.043 507 E CA 0.726 57.135 56.400 0.014 0.000 0.929 507 E CB -0.160 29.546 29.700 0.010 0.000 0.969 507 E HN 0.685 nan 8.360 nan 0.000 0.462 508 G N 2.829 111.645 108.800 0.027 0.000 2.259 508 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.217 508 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.217 508 G C -0.067 174.859 174.900 0.043 0.000 1.001 508 G CA -0.090 45.029 45.100 0.031 0.000 0.627 508 G HN 0.539 nan 8.290 nan 0.000 0.501 509 V N 2.386 122.333 119.914 0.056 0.000 2.389 509 V HA 0.454 4.573 4.120 -0.001 0.000 0.264 509 V C 0.138 176.259 176.094 0.045 0.000 1.049 509 V CA -0.242 62.106 62.300 0.080 0.000 0.932 509 V CB 1.437 33.350 31.823 0.151 0.000 1.011 509 V HN 0.376 nan 8.190 nan 0.000 0.475 510 D N 8.388 128.806 120.400 0.031 0.000 2.325 510 D HA 0.228 4.867 4.640 -0.001 0.000 0.251 510 D C -0.969 175.325 176.300 -0.010 0.000 1.196 510 D CA -2.150 51.854 54.000 0.006 0.000 0.866 510 D CB 1.817 42.622 40.800 0.007 0.000 1.101 510 D HN 0.249 nan 8.370 nan 0.000 0.476 511 P HA -0.160 nan 4.420 nan 0.000 0.223 511 P C 0.805 178.077 177.300 -0.047 0.000 1.144 511 P CA 0.698 63.731 63.100 -0.112 0.000 0.783 511 P CB 0.200 31.744 31.700 -0.259 0.000 0.771 512 A N -0.053 122.752 122.820 -0.024 0.000 2.119 512 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 512 A C 1.505 179.078 177.584 -0.019 0.000 1.153 512 A CA 1.319 53.347 52.037 -0.016 0.000 0.692 512 A CB -0.768 18.227 19.000 -0.009 0.000 0.799 512 A HN 0.053 nan 8.150 nan 0.000 0.458 513 D N -0.538 119.852 120.400 -0.017 0.000 2.349 513 D HA 0.214 4.853 4.640 -0.001 0.000 0.214 513 D C 0.122 176.398 176.300 -0.040 0.000 1.063 513 D CA 0.066 54.052 54.000 -0.022 0.000 0.847 513 D CB 0.105 40.899 40.800 -0.010 0.000 0.933 513 D HN 0.420 nan 8.370 nan 0.000 0.513 514 I N 1.329 121.877 120.570 -0.036 0.000 2.395 514 I HA 0.152 4.321 4.170 -0.001 0.000 0.289 514 I C 0.507 176.578 176.117 -0.078 0.000 1.023 514 I CA -0.117 61.142 61.300 -0.068 0.000 1.350 514 I CB 1.060 39.057 38.000 -0.005 0.000 1.409 514 I HN -0.112 nan 8.210 nan 0.000 0.507 515 T N 2.871 117.348 114.554 -0.127 0.000 2.893 515 T HA 0.695 5.045 4.350 -0.001 0.000 0.291 515 T C -0.672 173.959 174.700 -0.114 0.000 1.028 515 T CA -0.768 61.271 62.100 -0.101 0.000 0.995 515 T CB 1.977 70.784 68.868 -0.102 0.000 1.051 515 T HN 0.188 nan 8.240 nan 0.000 0.470 516 V N 2.757 122.634 119.914 -0.061 0.000 2.407 516 V HA 0.727 4.846 4.120 -0.001 0.000 0.291 516 V C 0.201 176.282 176.094 -0.023 0.000 1.018 516 V CA -0.685 61.600 62.300 -0.025 0.000 0.842 516 V CB 0.737 32.582 31.823 0.037 0.000 0.996 516 V HN 1.266 nan 8.190 nan 0.000 0.426 517 S N 3.004 118.682 115.700 -0.036 0.000 2.709 517 S HA 0.943 5.412 4.470 -0.001 0.000 0.302 517 S C -0.472 174.128 174.600 -0.001 0.000 1.127 517 S CA -0.704 57.475 58.200 -0.034 0.000 0.905 517 S CB 2.284 65.437 63.200 -0.078 0.000 1.151 517 S HN 0.924 nan 8.310 nan 0.000 0.510 518 S N -1.373 114.329 115.700 0.003 0.000 2.547 518 S HA 0.680 5.149 4.470 -0.001 0.000 0.270 518 S C -0.270 174.351 174.600 0.035 0.000 1.150 518 S CA -0.116 58.106 58.200 0.037 0.000 0.850 518 S CB 1.136 64.378 63.200 0.069 0.000 1.118 518 S HN 1.599 nan 8.310 nan 0.000 0.461 519 A N 1.790 124.648 122.820 0.064 0.000 2.382 519 A HA 0.535 4.854 4.320 -0.001 0.000 0.228 519 A C -0.523 177.168 177.584 0.179 0.000 1.217 519 A CA 0.178 52.260 52.037 0.075 0.000 0.923 519 A CB 0.218 19.242 19.000 0.040 0.000 0.979 519 A HN 1.125 nan 8.150 nan 0.000 0.515 520 Y N 0.093 120.404 120.300 0.019 0.000 2.299 520 Y HA 0.523 5.072 4.550 -0.001 0.000 0.318 520 Y C -1.988 173.941 175.900 0.047 0.000 1.205 520 Y CA -1.928 56.188 58.100 0.027 0.000 1.106 520 Y CB 0.936 39.411 38.460 0.026 0.000 1.246 520 Y HN 0.113 nan 8.280 nan 0.000 0.415 521 N N 4.788 123.390 118.700 -0.164 0.000 2.503 521 N HA 0.220 4.960 4.740 -0.001 0.000 0.287 521 N C -0.544 174.827 175.510 -0.231 0.000 1.096 521 N CA -0.302 52.612 53.050 -0.226 0.000 0.936 521 N CB 1.928 40.380 38.487 -0.060 0.000 1.570 521 N HN 0.893 nan 8.380 nan 0.000 0.504 522 Q N 0.641 120.266 119.800 -0.291 0.000 2.403 522 Q HA 0.219 4.559 4.340 -0.001 0.000 0.203 522 Q C 0.151 176.103 176.000 -0.080 0.000 0.932 522 Q CA 0.388 56.097 55.803 -0.157 0.000 0.945 522 Q CB 0.400 29.044 28.738 -0.157 0.000 1.045 522 Q HN 0.574 nan 8.270 nan 0.000 0.511 523 c N -0.707 117.843 118.600 -0.085 0.000 3.018 523 c HA 0.776 5.345 4.570 -0.001 0.000 0.393 523 c C 0.348 174.396 174.090 -0.071 0.000 2.195 523 c CA -1.097 55.191 56.329 -0.067 0.000 1.696 523 c CB 0.851 43.316 42.510 -0.075 0.000 2.455 523 c HN 0.401 nan 8.230 nan 0.000 0.478 524 A N 0.450 123.220 122.820 -0.084 0.000 2.340 524 A HA 0.586 4.905 4.320 -0.001 0.000 0.268 524 A C -0.169 177.360 177.584 -0.093 0.000 1.100 524 A CA 0.168 52.161 52.037 -0.074 0.000 0.803 524 A CB -0.093 18.867 19.000 -0.067 0.000 1.043 524 A HN 0.817 nan 8.150 nan 0.000 0.488 525 T N 4.568 119.086 114.554 -0.060 0.000 2.749 525 T HA 0.554 4.903 4.350 -0.001 0.000 0.287 525 T C -2.174 172.499 174.700 -0.044 0.000 0.970 525 T CA -0.670 61.400 62.100 -0.051 0.000 0.980 525 T CB 0.913 69.769 68.868 -0.020 0.000 0.924 525 T HN 0.669 nan 8.240 nan 0.000 0.456 526 P HA 0.328 nan 4.420 nan 0.000 0.278 526 P C 0.458 177.748 177.300 -0.015 0.000 1.258 526 P CA -0.494 62.592 63.100 -0.023 0.000 0.811 526 P CB 1.870 33.565 31.700 -0.009 0.000 1.063 527 E N 0.040 120.230 120.200 -0.017 0.000 2.162 527 E HA -0.031 4.318 4.350 -0.001 0.000 0.193 527 E C -0.182 176.398 176.600 -0.034 0.000 0.953 527 E CA 0.405 56.789 56.400 -0.026 0.000 0.849 527 E CB 0.327 30.010 29.700 -0.028 0.000 0.810 527 E HN 0.657 nan 8.360 nan 0.000 0.470 528 D N -0.555 119.811 120.400 -0.057 0.000 2.553 528 D HA 0.390 5.030 4.640 -0.001 0.000 0.249 528 D C -0.403 175.836 176.300 -0.102 0.000 1.062 528 D CA -0.935 53.012 54.000 -0.087 0.000 1.085 528 D CB 1.795 42.513 40.800 -0.137 0.000 1.350 528 D HN -0.018 nan 8.370 nan 0.000 0.575 529 V N -3.660 116.206 119.914 -0.079 0.000 2.994 529 V HA 0.586 4.705 4.120 -0.001 0.000 0.318 529 V C -0.766 175.218 176.094 -0.183 0.000 1.085 529 V CA -0.720 61.597 62.300 0.028 0.000 0.998 529 V CB 1.633 33.626 31.823 0.284 0.000 1.063 529 V HN 0.661 nan 8.190 nan 0.000 0.447 530 H N 1.202 120.158 119.070 -0.191 0.000 2.495 530 H HA 0.446 5.001 4.556 -0.001 0.000 0.348 530 H C -1.055 174.062 175.328 -0.352 0.000 1.113 530 H CA -0.398 55.417 56.048 -0.389 0.000 1.195 530 H CB 1.801 31.026 29.762 -0.894 0.000 1.521 530 H HN 0.947 nan 8.280 nan 0.000 0.509 531 H N 2.733 121.631 119.070 -0.287 0.000 2.562 531 H HA 0.176 4.731 4.556 -0.001 0.000 0.314 531 H C -0.042 175.099 175.328 -0.311 0.000 1.079 531 H CA -0.626 55.041 56.048 -0.636 0.000 1.349 531 H CB 1.150 30.551 29.762 -0.602 0.000 1.432 531 H HN 0.316 nan 8.280 nan 0.000 0.479 532 V N 3.754 123.451 119.914 -0.361 0.000 2.523 532 V HA 0.022 4.142 4.120 -0.001 0.000 0.226 532 V C 0.538 176.317 176.094 -0.526 0.000 1.107 532 V CA 0.903 63.079 62.300 -0.206 0.000 1.121 532 V CB 0.032 31.886 31.823 0.052 0.000 0.753 532 V HN 0.850 nan 8.190 nan 0.000 0.497 533 S N -1.577 113.866 115.700 -0.428 0.000 2.556 533 S HA 0.681 5.151 4.470 -0.001 0.000 0.271 533 S C 0.205 174.749 174.600 -0.093 0.000 1.135 533 S CA 0.039 58.022 58.200 -0.361 0.000 0.858 533 S CB 1.535 64.626 63.200 -0.182 0.000 1.114 533 S HN 1.566 nan 8.310 nan 0.000 0.468 534 G N 2.287 111.125 108.800 0.063 0.000 2.651 534 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.315 534 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.315 534 G C -0.002 175.041 174.900 0.238 0.000 1.258 534 G CA 1.037 46.227 45.100 0.149 0.000 1.002 534 G HN 0.897 nan 8.290 nan 0.000 0.551 535 D N 0.346 120.842 120.400 0.161 0.000 2.328 535 D HA 0.379 5.019 4.640 -0.001 0.000 0.221 535 D C 0.619 177.067 176.300 0.246 0.000 1.072 535 D CA -0.148 53.981 54.000 0.216 0.000 0.850 535 D CB 0.336 41.222 40.800 0.144 0.000 0.922 535 D HN 0.289 nan 8.370 nan 0.000 0.516 536 L N 1.132 122.440 121.223 0.143 0.000 2.281 536 L HA 0.329 4.668 4.340 -0.001 0.000 0.285 536 L C -1.278 175.608 176.870 0.027 0.000 1.074 536 L CA -0.223 54.684 54.840 0.111 0.000 0.817 536 L CB -0.033 42.062 42.059 0.060 0.000 1.168 536 L HN -0.093 nan 8.230 nan 0.000 0.434 537 Y N 4.186 124.382 120.300 -0.173 0.000 2.605 537 Y HA 0.638 5.188 4.550 -0.001 0.000 0.343 537 Y C -0.824 174.920 175.900 -0.261 0.000 1.036 537 Y CA -0.646 57.277 58.100 -0.295 0.000 1.065 537 Y CB 1.829 39.924 38.460 -0.608 0.000 1.288 537 Y HN 0.543 nan 8.280 nan 0.000 0.481 538 Y N -1.964 118.371 120.300 0.059 0.000 2.562 538 Y HA 0.824 5.373 4.550 -0.001 0.000 0.345 538 Y C -1.991 174.055 175.900 0.242 0.000 1.045 538 Y CA -1.740 56.358 58.100 -0.004 0.000 1.028 538 Y CB 0.577 38.658 38.460 -0.632 0.000 1.297 538 Y HN 0.318 nan 8.280 nan 0.000 0.463 539 V N 2.691 122.914 119.914 0.515 0.000 2.483 539 V HA 0.383 4.503 4.120 -0.001 0.000 0.295 539 V C -0.611 175.618 176.094 0.225 0.000 1.035 539 V CA -0.695 61.836 62.300 0.386 0.000 0.896 539 V CB 1.486 33.539 31.823 0.384 0.000 0.986 539 V HN 0.871 nan 8.190 nan 0.000 0.447 540 E N 4.575 124.842 120.200 0.111 0.000 2.165 540 E HA 0.443 4.792 4.350 -0.001 0.000 0.266 540 E C -1.320 175.098 176.600 -0.303 0.000 0.889 540 E CA -0.689 55.644 56.400 -0.111 0.000 0.756 540 E CB 1.272 30.921 29.700 -0.086 0.000 1.131 540 E HN 0.459 nan 8.360 nan 0.000 0.411 541 I N 3.644 123.819 120.570 -0.658 0.000 2.331 541 I HA 0.185 4.354 4.170 -0.001 0.000 0.292 541 I C -0.109 175.709 176.117 -0.498 0.000 0.998 541 I CA -0.477 60.384 61.300 -0.731 0.000 1.267 541 I CB 1.282 38.486 38.000 -1.326 0.000 1.386 541 I HN 0.582 nan 8.210 nan 0.000 0.476 542 D N 5.796 126.026 120.400 -0.282 0.000 2.329 542 D HA 0.241 4.880 4.640 -0.001 0.000 0.232 542 D C -0.132 176.100 176.300 -0.113 0.000 1.088 542 D CA -0.230 53.671 54.000 -0.164 0.000 0.835 542 D CB 1.137 41.872 40.800 -0.108 0.000 1.078 542 D HN 0.493 nan 8.370 nan 0.000 0.495 543 c N 2.916 121.476 118.600 -0.067 0.000 2.994 543 c HA 0.159 4.729 4.570 -0.001 0.000 0.284 543 c C 0.709 174.799 174.090 0.001 0.000 1.404 543 c CA -0.346 55.969 56.329 -0.023 0.000 1.775 543 c CB -1.295 41.224 42.510 0.015 0.000 2.458 543 c HN 0.671 nan 8.230 nan 0.000 0.593 544 T N -0.940 113.611 114.554 -0.005 0.000 2.902 544 T HA 0.441 4.790 4.350 -0.001 0.000 0.301 544 T C 1.233 175.938 174.700 0.008 0.000 1.012 544 T CA 1.022 63.127 62.100 0.008 0.000 1.151 544 T CB 0.900 69.768 68.868 0.001 0.000 0.946 544 T HN 0.936 nan 8.240 nan 0.000 0.542 545 G N 2.028 110.840 108.800 0.019 0.000 2.278 545 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.210 545 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.210 545 G C -0.127 174.792 174.900 0.031 0.000 1.000 545 G CA -0.477 44.635 45.100 0.019 0.000 0.635 545 G HN 0.763 nan 8.290 nan 0.000 0.495 546 E N 1.310 121.531 120.200 0.035 0.000 2.259 546 E HA 0.407 4.757 4.350 -0.001 0.000 0.281 546 E C -0.114 176.532 176.600 0.078 0.000 1.027 546 E CA -0.196 56.232 56.400 0.047 0.000 0.838 546 E CB 1.141 30.859 29.700 0.030 0.000 1.066 546 E HN 0.385 nan 8.360 nan 0.000 0.401 547 K N 3.257 123.730 120.400 0.121 0.000 2.266 547 K HA 0.373 4.692 4.320 -0.001 0.000 0.274 547 K C -0.111 176.654 176.600 0.275 0.000 1.090 547 K CA -0.229 56.181 56.287 0.205 0.000 0.925 547 K CB 0.477 33.121 32.500 0.241 0.000 1.225 547 K HN 0.324 nan 8.250 nan 0.000 0.458 548 I N 5.778 126.473 120.570 0.208 0.000 2.307 548 I HA 0.257 4.426 4.170 -0.001 0.000 0.287 548 I C -0.481 175.781 176.117 0.241 0.000 1.054 548 I CA -0.794 60.581 61.300 0.125 0.000 1.218 548 I CB -0.100 37.925 38.000 0.041 0.000 1.398 548 I HN 0.399 nan 8.210 nan 0.000 0.475 549 F N 6.247 126.265 119.950 0.113 0.000 2.588 549 F HA 0.680 5.206 4.527 -0.001 0.000 0.314 549 F C -2.764 173.174 175.800 0.229 0.000 1.069 549 F CA -3.297 54.792 58.000 0.148 0.000 0.931 549 F CB 0.878 39.955 39.000 0.128 0.000 1.260 549 F HN 0.091 nan 8.300 nan 0.000 0.465 550 P HA 0.228 nan 4.420 nan 0.000 0.249 550 P C 0.153 177.689 177.300 0.393 0.000 1.737 550 P CA 0.383 63.681 63.100 0.329 0.000 1.128 550 P CB 0.145 32.026 31.700 0.300 0.000 1.942 551 G N 0.855 109.822 108.800 0.279 0.000 5.432 551 G HA2 0.497 4.456 3.960 -0.001 0.000 0.221 551 G HA3 0.497 4.456 3.960 -0.001 0.000 0.221 551 G C -0.003 175.131 174.900 0.391 0.000 0.809 551 G CA 0.046 45.481 45.100 0.557 0.000 0.700 551 G HN 0.697 nan 8.290 nan 0.000 0.367 552 G N -0.562 108.326 108.800 0.147 0.000 2.340 552 G HA2 0.365 4.325 3.960 -0.001 0.000 0.300 552 G HA3 0.365 4.325 3.960 -0.001 0.000 0.300 552 G C 0.018 175.017 174.900 0.165 0.000 1.488 552 G CA 0.038 45.223 45.100 0.140 0.000 0.878 552 G HN 0.119 nan 8.290 nan 0.000 0.618 553 Q N 0.387 120.277 119.800 0.150 0.000 1.993 553 Q HA -0.079 4.260 4.340 -0.001 0.000 0.202 553 Q C 2.657 178.809 176.000 0.254 0.000 0.984 553 Q CA 3.205 59.142 55.803 0.223 0.000 0.837 553 Q CB -0.350 28.462 28.738 0.123 0.000 0.902 553 Q HN 0.734 nan 8.270 nan 0.000 0.423 554 S N -0.902 114.864 115.700 0.110 0.000 2.528 554 S HA 0.064 4.534 4.470 -0.001 0.000 0.219 554 S C 1.396 175.969 174.600 -0.044 0.000 0.985 554 S CA 0.485 58.700 58.200 0.024 0.000 0.914 554 S CB 0.056 63.278 63.200 0.036 0.000 0.776 554 S HN 0.274 nan 8.310 nan 0.000 0.526 555 E N 1.564 121.729 120.200 -0.059 0.000 2.216 555 E HA -0.066 4.283 4.350 -0.001 0.000 0.192 555 E C 1.848 178.281 176.600 -0.278 0.000 0.988 555 E CA 0.956 57.187 56.400 -0.281 0.000 0.834 555 E CB -0.189 29.145 29.700 -0.610 0.000 0.772 555 E HN 0.836 nan 8.360 nan 0.000 0.479 556 H N 0.173 119.140 119.070 -0.173 0.000 2.553 556 H HA 0.185 4.741 4.556 -0.001 0.000 0.265 556 H C 0.261 175.541 175.328 -0.081 0.000 0.964 556 H CA 0.116 56.111 56.048 -0.088 0.000 1.156 556 H CB 0.231 30.034 29.762 0.067 0.000 1.411 556 H HN 0.035 nan 8.280 nan 0.000 0.558 557 R N -0.195 119.964 120.500 -0.568 0.000 2.855 557 R HA 0.686 5.025 4.340 -0.001 0.000 0.266 557 R C -1.096 175.053 176.300 -0.253 0.000 1.034 557 R CA -1.178 54.632 56.100 -0.483 0.000 0.944 557 R CB 1.825 31.732 30.300 -0.655 0.000 1.219 557 R HN -0.108 nan 8.270 nan 0.000 0.474 558 R N 0.755 121.140 120.500 -0.190 0.000 2.522 558 R HA 0.239 4.578 4.340 -0.001 0.000 0.283 558 R C -1.449 174.783 176.300 -0.113 0.000 1.074 558 R CA -0.709 55.319 56.100 -0.121 0.000 0.925 558 R CB 2.206 32.462 30.300 -0.073 0.000 1.205 558 R HN 0.845 nan 8.270 nan 0.000 0.436 559 E N 2.156 122.273 120.200 -0.139 0.000 2.197 559 E HA 0.442 4.791 4.350 -0.001 0.000 0.281 559 E C -1.017 175.467 176.600 -0.194 0.000 0.995 559 E CA -0.615 55.702 56.400 -0.139 0.000 0.808 559 E CB 1.431 31.055 29.700 -0.128 0.000 1.093 559 E HN 0.186 nan 8.360 nan 0.000 0.394 560 V N 5.236 125.132 119.914 -0.030 0.000 2.447 560 V HA 0.216 4.335 4.120 -0.001 0.000 0.292 560 V C -0.695 175.526 176.094 0.211 0.000 1.021 560 V CA -0.715 61.618 62.300 0.055 0.000 0.850 560 V CB 1.566 33.509 31.823 0.200 0.000 1.005 560 V HN 0.731 nan 8.190 nan 0.000 0.426 561 Q N 4.789 124.686 119.800 0.161 0.000 2.282 561 Q HA 0.778 5.117 4.340 -0.001 0.000 0.260 561 Q C -1.238 174.946 176.000 0.307 0.000 0.964 561 Q CA -0.556 55.377 55.803 0.217 0.000 0.880 561 Q CB 2.623 31.444 28.738 0.138 0.000 1.286 561 Q HN 0.743 nan 8.270 nan 0.000 0.445 562 F N -0.940 119.017 119.950 0.012 0.000 2.604 562 F HA 0.554 5.080 4.527 -0.001 0.000 0.316 562 F C -1.445 174.316 175.800 -0.064 0.000 1.136 562 F CA -1.170 56.813 58.000 -0.029 0.000 0.989 562 F CB 1.251 40.239 39.000 -0.020 0.000 1.258 562 F HN 0.347 nan 8.300 nan 0.000 0.451 563 R N 4.627 125.059 120.500 -0.114 0.000 2.387 563 R HA 0.742 5.081 4.340 -0.001 0.000 0.314 563 R C -1.562 174.607 176.300 -0.219 0.000 0.958 563 R CA -0.695 55.262 56.100 -0.238 0.000 0.846 563 R CB 1.245 31.377 30.300 -0.280 0.000 1.147 563 R HN 0.931 nan 8.270 nan 0.000 0.447 564 I N 4.241 124.620 120.570 -0.318 0.000 2.330 564 I HA 0.336 4.506 4.170 -0.001 0.000 0.286 564 I C -0.074 175.596 176.117 -0.746 0.000 1.025 564 I CA -0.634 60.409 61.300 -0.429 0.000 1.197 564 I CB 1.700 39.445 38.000 -0.425 0.000 1.358 564 I HN 0.606 nan 8.210 nan 0.000 0.467 565 A N 4.077 126.547 122.820 -0.584 0.000 2.292 565 A HA 0.711 5.030 4.320 -0.001 0.000 0.319 565 A C 0.865 178.084 177.584 -0.608 0.000 1.206 565 A CA -0.301 51.396 52.037 -0.566 0.000 0.835 565 A CB 0.937 19.756 19.000 -0.302 0.000 1.164 565 A HN 0.890 nan 8.150 nan 0.000 0.505 566 G N 0.842 109.264 108.800 -0.630 0.000 3.104 566 G HA2 0.543 4.503 3.960 -0.001 0.000 0.237 566 G HA3 0.543 4.503 3.960 -0.001 0.000 0.237 566 G C 0.812 175.729 174.900 0.028 0.000 1.035 566 G CA 0.685 45.697 45.100 -0.147 0.000 0.844 566 G HN 2.189 nan 8.290 nan 0.000 0.531 567 G N 0.476 109.265 108.800 -0.018 0.000 2.685 567 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.387 567 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.387 567 G C -2.801 172.150 174.900 0.085 0.000 1.324 567 G CA -0.458 44.661 45.100 0.031 0.000 0.878 567 G HN 0.286 nan 8.290 nan 0.000 0.527 568 P HA 0.385 nan 4.420 nan 0.000 0.267 568 P C 0.989 178.340 177.300 0.084 0.000 1.205 568 P CA 1.695 64.835 63.100 0.067 0.000 0.765 568 P CB 0.823 32.548 31.700 0.041 0.000 0.828 569 G N 2.571 111.426 108.800 0.093 0.000 2.316 569 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.203 569 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.203 569 G C -0.222 174.733 174.900 0.092 0.000 0.999 569 G CA -0.556 44.589 45.100 0.074 0.000 0.649 569 G HN 0.582 nan 8.290 nan 0.000 0.489 570 W N 2.836 124.110 121.300 -0.043 0.000 2.322 570 W HA 0.502 5.161 4.660 -0.001 0.000 0.328 570 W C -1.099 175.374 176.519 -0.076 0.000 1.395 570 W CA 1.268 58.575 57.345 -0.063 0.000 1.267 570 W CB 0.769 30.174 29.460 -0.091 0.000 1.259 570 W HN 0.168 nan 8.180 nan 0.000 0.560 571 D N 8.353 128.431 120.400 -0.536 0.000 2.620 571 D HA 0.269 4.909 4.640 -0.001 0.000 0.252 571 D C -1.692 174.256 176.300 -0.588 0.000 1.207 571 D CA -2.059 51.709 54.000 -0.386 0.000 0.884 571 D CB 2.265 42.940 40.800 -0.209 0.000 1.262 571 D HN 0.106 nan 8.370 nan 0.000 0.552 572 P HA -0.009 nan 4.420 nan 0.000 0.245 572 P C 0.868 178.023 177.300 -0.242 0.000 1.203 572 P CA 0.189 62.971 63.100 -0.530 0.000 0.792 572 P CB 0.299 31.490 31.700 -0.848 0.000 0.997 573 S N 1.423 117.068 115.700 -0.091 0.000 2.442 573 S HA -0.127 4.342 4.470 -0.001 0.000 0.236 573 S C 1.461 176.092 174.600 0.053 0.000 1.007 573 S CA 1.145 59.384 58.200 0.065 0.000 0.965 573 S CB -1.305 61.917 63.200 0.037 0.000 0.773 573 S HN 0.243 nan 8.310 nan 0.000 0.504 574 N N 0.856 119.556 118.700 -0.001 0.000 2.235 574 N HA 0.145 4.884 4.740 -0.001 0.000 0.209 574 N C -1.335 174.229 175.510 0.090 0.000 1.122 574 N CA -0.306 52.764 53.050 0.033 0.000 0.845 574 N CB -0.259 38.233 38.487 0.008 0.000 1.004 574 N HN 0.164 nan 8.380 nan 0.000 0.499 575 D N 0.140 120.612 120.400 0.119 0.000 2.225 575 D HA 0.026 4.665 4.640 -0.001 0.000 0.248 575 D C 0.788 177.237 176.300 0.249 0.000 1.096 575 D CA -0.617 53.524 54.000 0.235 0.000 0.863 575 D CB 1.288 42.251 40.800 0.270 0.000 1.156 575 D HN 0.131 nan 8.370 nan 0.000 0.450 576 W N 2.590 123.954 121.300 0.107 0.000 2.329 576 W HA -0.246 4.414 4.660 -0.001 0.000 0.324 576 W C 1.120 177.649 176.519 0.017 0.000 1.222 576 W CA 1.335 58.694 57.345 0.024 0.000 1.270 576 W CB -0.188 29.307 29.460 0.059 0.000 1.167 576 W HN 0.218 nan 8.180 nan 0.000 0.467 577 S N 0.631 116.423 115.700 0.155 0.000 2.537 577 S HA -0.174 4.295 4.470 -0.001 0.000 0.240 577 S C 1.154 175.765 174.600 0.019 0.000 0.981 577 S CA 0.868 59.061 58.200 -0.012 0.000 0.948 577 S CB -0.717 62.331 63.200 -0.254 0.000 0.759 577 S HN 0.285 nan 8.310 nan 0.000 0.531 578 F N 2.181 122.080 119.950 -0.086 0.000 2.664 578 F HA 0.213 4.739 4.527 -0.001 0.000 0.296 578 F C 0.888 176.676 175.800 -0.019 0.000 1.125 578 F CA -0.256 57.785 58.000 0.070 0.000 1.444 578 F CB -0.286 38.798 39.000 0.139 0.000 1.114 578 F HN 0.101 nan 8.300 nan 0.000 0.576 579 Q N 0.242 119.918 119.800 -0.208 0.000 2.239 579 Q HA 0.285 4.624 4.340 -0.001 0.000 0.286 579 Q C 1.272 177.151 176.000 -0.203 0.000 1.102 579 Q CA 1.026 56.613 55.803 -0.360 0.000 0.936 579 Q CB -0.057 28.177 28.738 -0.841 0.000 1.127 579 Q HN 0.578 nan 8.270 nan 0.000 0.380 580 G N 2.865 111.548 108.800 -0.195 0.000 2.284 580 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.230 580 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.230 580 G C 0.304 175.130 174.900 -0.122 0.000 1.021 580 G CA -0.334 44.709 45.100 -0.095 0.000 0.619 580 G HN 0.596 nan 8.290 nan 0.000 0.510 581 I N 2.522 122.969 120.570 -0.204 0.000 2.668 581 I HA 0.406 4.576 4.170 -0.001 0.000 0.285 581 I C 1.418 177.403 176.117 -0.220 0.000 1.168 581 I CA 1.065 62.262 61.300 -0.172 0.000 1.424 581 I CB 0.603 38.501 38.000 -0.171 0.000 1.377 581 I HN 0.355 nan 8.210 nan 0.000 0.560 582 G N 4.178 112.929 108.800 -0.083 0.000 3.252 582 G HA2 0.219 4.178 3.960 -0.001 0.000 0.181 582 G HA3 0.219 4.178 3.960 -0.001 0.000 0.181 582 G C 0.118 175.019 174.900 0.002 0.000 1.187 582 G CA -0.483 44.585 45.100 -0.053 0.000 0.886 582 G HN 0.625 nan 8.290 nan 0.000 0.615 583 N N 0.162 118.872 118.700 0.016 0.000 2.280 583 N HA 0.154 4.893 4.740 -0.001 0.000 0.192 583 N C -0.549 174.983 175.510 0.036 0.000 1.109 583 N CA 0.129 53.199 53.050 0.033 0.000 0.855 583 N CB 0.607 39.114 38.487 0.033 0.000 0.974 583 N HN 0.173 nan 8.380 nan 0.000 0.482 584 E N 0.923 121.143 120.200 0.033 0.000 2.212 584 E HA 0.187 4.537 4.350 -0.001 0.000 0.268 584 E C -0.928 175.700 176.600 0.048 0.000 0.902 584 E CA -0.927 55.496 56.400 0.039 0.000 0.779 584 E CB 2.405 32.125 29.700 0.032 0.000 1.172 584 E HN -0.022 nan 8.360 nan 0.000 0.409 585 L N 2.309 123.565 121.223 0.056 0.000 2.500 585 L HA 0.335 4.675 4.340 -0.001 0.000 0.272 585 L C -0.561 176.352 176.870 0.071 0.000 1.149 585 L CA 0.477 55.357 54.840 0.066 0.000 0.897 585 L CB -0.206 41.892 42.059 0.066 0.000 1.178 585 L HN 0.631 nan 8.230 nan 0.000 0.473 586 A N 5.653 128.522 122.820 0.081 0.000 2.606 586 A HA 0.777 5.096 4.320 -0.001 0.000 0.293 586 A C -2.848 174.809 177.584 0.122 0.000 1.082 586 A CA -1.454 50.635 52.037 0.086 0.000 0.685 586 A CB 1.082 20.118 19.000 0.061 0.000 1.284 586 A HN 0.496 nan 8.150 nan 0.000 0.408 587 P HA 0.252 nan 4.420 nan 0.000 0.263 587 P C -0.445 177.035 177.300 0.300 0.000 1.175 587 P CA 0.635 63.872 63.100 0.228 0.000 0.761 587 P CB 0.616 32.415 31.700 0.166 0.000 0.794 588 A N 5.618 128.684 122.820 0.410 0.000 2.322 588 A HA 0.464 4.783 4.320 -0.001 0.000 0.327 588 A C -1.865 175.941 177.584 0.370 0.000 1.394 588 A CA -1.345 50.895 52.037 0.338 0.000 0.921 588 A CB 0.504 19.684 19.000 0.300 0.000 1.153 588 A HN 0.346 nan 8.150 nan 0.000 0.523 589 P HA -0.022 nan 4.420 nan 0.000 0.233 589 P C -0.059 176.760 177.300 -0.801 0.000 1.167 589 P CA 1.110 63.817 63.100 -0.654 0.000 0.770 589 P CB -0.009 31.162 31.700 -0.881 0.000 0.837 590 Y N -1.525 118.738 120.300 -0.061 0.000 2.555 590 Y HA 0.312 4.861 4.550 -0.001 0.000 0.259 590 Y C 0.850 176.915 175.900 0.277 0.000 1.179 590 Y CA -0.406 57.693 58.100 -0.002 0.000 1.230 590 Y CB -0.084 38.149 38.460 -0.378 0.000 1.146 590 Y HN -0.131 nan 8.280 nan 0.000 0.526 591 I N 1.090 121.877 120.570 0.361 0.000 2.339 591 I HA 0.288 4.457 4.170 -0.001 0.000 0.290 591 I C -0.732 175.644 176.117 0.431 0.000 0.994 591 I CA -0.935 60.641 61.300 0.460 0.000 1.191 591 I CB 1.482 39.690 38.000 0.347 0.000 1.343 591 I HN -0.273 nan 8.210 nan 0.000 0.458 592 V N 7.143 127.372 119.914 0.524 0.000 2.407 592 V HA 0.289 4.408 4.120 -0.001 0.000 0.278 592 V C -0.145 176.166 176.094 0.362 0.000 1.037 592 V CA -0.637 61.874 62.300 0.352 0.000 0.900 592 V CB 1.642 33.675 31.823 0.349 0.000 0.983 592 V HN 0.396 nan 8.190 nan 0.000 0.459 593 L N 6.368 127.750 121.223 0.266 0.000 2.295 593 L HA 0.604 4.944 4.340 -0.001 0.000 0.285 593 L C -1.083 175.878 176.870 0.152 0.000 1.035 593 L CA 0.031 55.056 54.840 0.309 0.000 0.806 593 L CB 0.883 43.095 42.059 0.254 0.000 1.214 593 L HN 0.531 nan 8.230 nan 0.000 0.426 594 Y N 2.297 122.703 120.300 0.176 0.000 2.429 594 Y HA 0.440 4.989 4.550 -0.001 0.000 0.342 594 Y C -0.422 175.536 175.900 0.097 0.000 1.004 594 Y CA -1.008 57.165 58.100 0.121 0.000 1.075 594 Y CB 1.592 40.101 38.460 0.082 0.000 1.214 594 Y HN 0.535 nan 8.280 nan 0.000 0.455 595 D N 2.353 122.892 120.400 0.231 0.000 2.472 595 D HA 0.199 4.838 4.640 -0.001 0.000 0.234 595 D C -0.499 175.881 176.300 0.134 0.000 1.088 595 D CA -0.113 53.980 54.000 0.154 0.000 0.882 595 D CB 0.159 41.032 40.800 0.121 0.000 1.037 595 D HN 0.602 nan 8.370 nan 0.000 0.520 596 D N 3.140 123.607 120.400 0.111 0.000 2.907 596 D HA -0.167 4.473 4.640 -0.001 0.000 0.226 596 D C 1.006 177.356 176.300 0.084 0.000 1.141 596 D CA 1.931 55.976 54.000 0.075 0.000 0.779 596 D CB -1.137 39.701 40.800 0.063 0.000 1.095 596 D HN 0.819 nan 8.370 nan 0.000 0.430 597 G N -2.475 106.398 108.800 0.122 0.000 2.213 597 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.236 597 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.236 597 G C 0.301 175.374 174.900 0.288 0.000 0.991 597 G CA 0.177 45.355 45.100 0.130 0.000 0.629 597 G HN 0.902 nan 8.290 nan 0.000 0.517 598 V N 2.367 122.430 119.914 0.248 0.000 2.407 598 V HA 0.490 4.610 4.120 -0.001 0.000 0.278 598 V C -1.822 174.354 176.094 0.138 0.000 1.037 598 V CA -1.700 60.712 62.300 0.187 0.000 0.900 598 V CB 1.643 33.532 31.823 0.110 0.000 0.983 598 V HN 0.084 nan 8.190 nan 0.000 0.459 599 P HA 0.141 nan 4.420 nan 0.000 0.268 599 P C 0.300 177.559 177.300 -0.069 0.000 1.204 599 P CA 0.283 63.228 63.100 -0.258 0.000 0.768 599 P CB 0.925 32.469 31.700 -0.261 0.000 0.842 600 V N 2.312 122.214 119.914 -0.020 0.000 3.562 600 V HA 0.259 4.378 4.120 -0.001 0.000 0.270 600 V C -0.116 176.106 176.094 0.214 0.000 1.418 600 V CA 0.043 62.401 62.300 0.098 0.000 1.033 600 V CB 0.192 32.092 31.823 0.129 0.000 0.820 600 V HN 0.629 nan 8.190 nan 0.000 0.441 601 W N 0.120 121.387 121.300 -0.054 0.000 3.213 601 W HA 0.533 5.192 4.660 -0.001 0.000 0.318 601 W C -0.068 176.424 176.519 -0.045 0.000 1.248 601 W CA 0.190 57.520 57.345 -0.026 0.000 1.187 601 W CB 1.750 31.230 29.460 0.033 0.000 1.403 601 W HN 0.383 nan 8.180 nan 0.000 0.556 602 G N 1.844 110.090 108.800 -0.923 0.000 2.758 602 G HA2 0.083 4.042 3.960 -0.001 0.000 0.686 602 G HA3 0.083 4.042 3.960 -0.001 0.000 0.686 602 G C -0.701 173.995 174.900 -0.340 0.000 1.389 602 G CA -0.196 44.481 45.100 -0.705 0.000 0.845 602 G HN 1.297 nan 8.290 nan 0.000 0.572 603 T N -1.372 113.059 114.554 -0.206 0.000 2.841 603 T HA 0.928 5.277 4.350 -0.001 0.000 0.283 603 T C 0.389 175.175 174.700 0.143 0.000 1.000 603 T CA 0.543 62.622 62.100 -0.036 0.000 0.977 603 T CB 1.951 70.830 68.868 0.017 0.000 0.979 603 T HN 2.276 nan 8.240 nan 0.000 0.446 604 A N 3.714 126.461 122.820 -0.123 0.000 2.264 604 A HA 0.834 5.154 4.320 -0.001 0.000 0.304 604 A C -2.192 174.857 177.584 -0.891 0.000 1.100 604 A CA -1.748 49.928 52.037 -0.602 0.000 0.839 604 A CB -0.595 18.034 19.000 -0.618 0.000 1.121 604 A HN 0.712 nan 8.150 nan 0.000 0.496 605 P HA 0.000 nan 4.420 nan 0.000 0.216 605 P CA 0.000 61.991 63.100 -1.848 0.000 0.800 605 P CB 0.000 30.779 31.700 -1.535 0.000 0.726