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 3f5n_1_C DATA FIRST_RESID 22 DATA SEQUENCE PEEAIADLSV NMYNRLRATG EDENILFSPL SIALAMGMME LGAQGSTQKE DATA SEQUENCE IRHSMGXXXX XXXXEFSFLK EFSNMVTAKE SQYVMKIANS LFVQNGFHVN DATA SEQUENCE EEFLQMMKKY FNAAVNHVDF SQNVAVANYI NKWVENNTNN LVKDLVSPRD DATA SEQUENCE FDAATYLALI NAVYFKGNWK SQFRPENTRT FSFTKDDESE VQIPMMYQQG DATA SEQUENCE EFYYGEFSDG SNXXXGIYQV LEIPYEGDEI SMMLVLSRQE VPLATLEPLV DATA SEQUENCE KAQLVEEWAN SVKKQKVEVY LPRFTVEQEI DLKDVLKALG ITEIFIKDAN DATA SEQUENCE LTGLSDNKEI FLSKAIHKSF LEVNEEXXXX XXXXXMIAIS RMAVLYPQVI DATA SEQUENCE VDHPFFFLIR NRRTGTILFM GRVMHPET 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 22 P HA 0.000 nan 4.420 nan 0.000 0.216 22 P C 0.000 177.543 177.300 0.405 0.000 1.155 22 P CA 0.000 63.298 63.100 0.330 0.000 0.800 22 P CB 0.000 31.780 31.700 0.133 0.000 0.726 23 E N 0.296 120.705 120.200 0.349 0.000 2.110 23 E HA -0.152 4.197 4.350 -0.000 0.000 0.193 23 E C 1.629 178.268 176.600 0.065 0.000 0.988 23 E CA 1.732 58.269 56.400 0.229 0.000 0.804 23 E CB -0.248 29.499 29.700 0.078 0.000 0.745 23 E HN 0.640 nan 8.360 nan 0.000 0.458 24 E N 0.904 121.131 120.200 0.045 0.000 2.172 24 E HA -0.349 4.001 4.350 -0.000 0.000 0.213 24 E C 1.789 178.381 176.600 -0.013 0.000 1.051 24 E CA 2.117 58.519 56.400 0.003 0.000 0.860 24 E CB -0.378 29.328 29.700 0.011 0.000 0.755 24 E HN 0.277 nan 8.360 nan 0.000 0.462 25 A N 0.225 123.044 122.820 -0.002 0.000 1.872 25 A HA -0.033 4.287 4.320 -0.000 0.000 0.214 25 A C 2.374 179.916 177.584 -0.069 0.000 1.187 25 A CA 1.329 53.344 52.037 -0.037 0.000 0.614 25 A CB -0.604 18.374 19.000 -0.037 0.000 0.826 25 A HN 0.374 nan 8.150 nan 0.000 0.442 26 I N 0.108 120.621 120.570 -0.095 0.000 2.530 26 I HA -0.314 3.856 4.170 -0.000 0.000 0.257 26 I C 2.794 178.859 176.117 -0.086 0.000 1.179 26 I CA 0.779 62.003 61.300 -0.126 0.000 1.440 26 I CB -0.185 37.702 38.000 -0.188 0.000 1.087 26 I HN 0.396 nan 8.210 nan 0.000 0.440 27 A N 0.644 123.420 122.820 -0.072 0.000 1.855 27 A HA -0.212 4.108 4.320 -0.000 0.000 0.215 27 A C 2.035 179.592 177.584 -0.045 0.000 1.191 27 A CA 1.848 53.844 52.037 -0.068 0.000 0.613 27 A CB -0.558 18.398 19.000 -0.073 0.000 0.829 27 A HN 0.369 nan 8.150 nan 0.000 0.442 28 D N -0.259 120.116 120.400 -0.041 0.000 2.144 28 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 28 D C 1.927 178.219 176.300 -0.014 0.000 0.984 28 D CA 1.464 55.446 54.000 -0.030 0.000 0.834 28 D CB -0.333 40.444 40.800 -0.038 0.000 0.955 28 D HN 0.363 nan 8.370 nan 0.000 0.465 29 L N 1.591 122.799 121.223 -0.025 0.000 2.013 29 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 29 L C 2.302 179.202 176.870 0.051 0.000 1.073 29 L CA 1.763 56.595 54.840 -0.013 0.000 0.753 29 L CB -0.462 41.572 42.059 -0.042 0.000 0.890 29 L HN -0.117 nan 8.230 nan 0.000 0.432 30 S N -1.174 114.570 115.700 0.072 0.000 2.368 30 S HA -0.164 4.305 4.470 -0.000 0.000 0.225 30 S C 1.945 176.683 174.600 0.231 0.000 1.030 30 S CA 1.418 59.729 58.200 0.185 0.000 0.999 30 S CB -0.737 62.497 63.200 0.058 0.000 0.844 30 S HN 0.353 nan 8.310 nan 0.000 0.459 31 V N 3.074 123.055 119.914 0.112 0.000 2.358 31 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 31 V C 2.195 178.373 176.094 0.141 0.000 1.047 31 V CA 1.639 64.005 62.300 0.111 0.000 1.035 31 V CB -0.923 30.915 31.823 0.025 0.000 0.658 31 V HN 0.385 nan 8.190 nan 0.000 0.452 32 N N 0.139 118.887 118.700 0.079 0.000 2.043 32 N HA -0.160 4.579 4.740 -0.000 0.000 0.193 32 N C 1.824 177.359 175.510 0.041 0.000 1.037 32 N CA 1.776 54.853 53.050 0.045 0.000 0.851 32 N CB -0.453 38.038 38.487 0.006 0.000 1.027 32 N HN 0.383 nan 8.380 nan 0.000 0.422 33 M N -0.717 118.901 119.600 0.030 0.000 2.108 33 M HA -0.220 4.260 4.480 -0.000 0.000 0.261 33 M C 2.004 178.299 176.300 -0.009 0.000 1.066 33 M CA 1.465 56.699 55.300 -0.111 0.000 1.107 33 M CB -0.446 31.949 32.600 -0.341 0.000 1.356 33 M HN 0.168 nan 8.290 nan 0.000 0.406 34 Y N 1.397 121.812 120.300 0.191 0.000 2.145 34 Y HA -0.265 4.285 4.550 -0.000 0.000 0.286 34 Y C 2.260 178.226 175.900 0.110 0.000 1.145 34 Y CA 1.772 60.034 58.100 0.270 0.000 1.148 34 Y CB -0.303 38.334 38.460 0.294 0.000 0.981 34 Y HN 0.256 nan 8.280 nan 0.000 0.507 35 N N 0.256 119.072 118.700 0.193 0.000 2.104 35 N HA -0.201 4.539 4.740 -0.000 0.000 0.190 35 N C 1.968 177.462 175.510 -0.027 0.000 1.024 35 N CA 1.484 54.583 53.050 0.082 0.000 0.853 35 N CB -0.430 38.109 38.487 0.088 0.000 1.008 35 N HN 0.267 nan 8.380 nan 0.000 0.424 36 R N 1.273 121.748 120.500 -0.042 0.000 2.081 36 R HA 0.086 4.426 4.340 -0.000 0.000 0.235 36 R C 2.139 178.372 176.300 -0.112 0.000 1.131 36 R CA 1.006 57.063 56.100 -0.073 0.000 0.960 36 R CB -0.757 29.494 30.300 -0.081 0.000 0.856 36 R HN 0.219 nan 8.270 nan 0.000 0.436 37 L N -0.140 120.988 121.223 -0.159 0.000 2.201 37 L HA -0.051 4.289 4.340 -0.000 0.000 0.212 37 L C 2.548 179.303 176.870 -0.191 0.000 1.105 37 L CA 1.196 55.930 54.840 -0.177 0.000 0.775 37 L CB -0.281 41.666 42.059 -0.186 0.000 0.913 37 L HN 0.231 nan 8.230 nan 0.000 0.440 38 R N -0.257 120.086 120.500 -0.261 0.000 2.062 38 R HA -0.078 4.262 4.340 -0.000 0.000 0.229 38 R C 2.437 178.679 176.300 -0.098 0.000 1.128 38 R CA 1.240 57.221 56.100 -0.198 0.000 0.960 38 R CB -0.367 29.813 30.300 -0.199 0.000 0.855 38 R HN 0.296 nan 8.270 nan 0.000 0.432 39 A N 0.605 123.377 122.820 -0.081 0.000 1.978 39 A HA -0.122 4.197 4.320 -0.000 0.000 0.220 39 A C 1.449 179.006 177.584 -0.044 0.000 1.170 39 A CA 1.835 53.843 52.037 -0.048 0.000 0.636 39 A CB -0.352 18.625 19.000 -0.039 0.000 0.810 39 A HN 0.450 nan 8.150 nan 0.000 0.448 40 T N -4.317 110.204 114.554 -0.055 0.000 3.438 40 T HA 0.549 4.899 4.350 -0.000 0.000 0.244 40 T C 0.150 174.823 174.700 -0.045 0.000 1.269 40 T CA 0.252 62.324 62.100 -0.047 0.000 1.371 40 T CB 0.106 68.942 68.868 -0.053 0.000 1.002 40 T HN 1.061 nan 8.240 nan 0.000 0.637 41 G N 1.285 110.063 108.800 -0.037 0.000 4.890 41 G HA2 0.169 4.129 3.960 -0.000 0.000 0.225 41 G HA3 0.169 4.129 3.960 -0.000 0.000 0.225 41 G C -0.428 174.465 174.900 -0.012 0.000 2.100 41 G CA -0.869 44.216 45.100 -0.026 0.000 0.773 41 G HN 0.550 nan 8.290 nan 0.000 0.279 42 E N 0.965 121.162 120.200 -0.005 0.000 2.760 42 E HA 0.085 4.435 4.350 -0.000 0.000 0.268 42 E C 0.554 177.172 176.600 0.030 0.000 0.935 42 E CA 1.141 57.546 56.400 0.009 0.000 0.960 42 E CB 0.521 30.228 29.700 0.011 0.000 0.931 42 E HN 0.502 nan 8.360 nan 0.000 0.483 43 D N 1.669 122.091 120.400 0.037 0.000 2.697 43 D HA -0.242 4.398 4.640 -0.000 0.000 0.235 43 D C -1.198 175.189 176.300 0.146 0.000 1.167 43 D CA 1.576 55.619 54.000 0.071 0.000 0.656 43 D CB -0.752 40.096 40.800 0.079 0.000 1.025 43 D HN 0.526 nan 8.370 nan 0.000 0.419 44 E N -0.505 119.762 120.200 0.112 0.000 2.408 44 E HA 0.442 4.792 4.350 -0.000 0.000 0.275 44 E C -0.499 176.171 176.600 0.116 0.000 0.935 44 E CA -1.203 55.285 56.400 0.147 0.000 0.775 44 E CB 0.727 30.472 29.700 0.075 0.000 1.277 44 E HN 0.104 nan 8.360 nan 0.000 0.455 45 N N 1.054 119.839 118.700 0.142 0.000 2.492 45 N HA 0.261 5.000 4.740 -0.000 0.000 0.260 45 N C -0.766 174.786 175.510 0.070 0.000 1.215 45 N CA 0.393 53.494 53.050 0.084 0.000 0.923 45 N CB 0.440 38.976 38.487 0.082 0.000 1.092 45 N HN 0.348 nan 8.380 nan 0.000 0.448 46 I N 1.951 122.559 120.570 0.064 0.000 2.465 46 I HA 0.424 4.594 4.170 -0.000 0.000 0.291 46 I C -0.849 175.334 176.117 0.109 0.000 1.014 46 I CA -0.889 60.475 61.300 0.107 0.000 1.093 46 I CB 1.844 39.899 38.000 0.092 0.000 1.267 46 I HN 0.198 nan 8.210 nan 0.000 0.431 47 L N 8.663 130.002 121.223 0.193 0.000 2.676 47 L HA 0.581 4.920 4.340 -0.000 0.000 0.262 47 L C -1.743 175.328 176.870 0.334 0.000 0.932 47 L CA -0.133 54.783 54.840 0.127 0.000 0.932 47 L CB 1.477 43.600 42.059 0.107 0.000 1.355 47 L HN 0.546 nan 8.230 nan 0.000 0.421 48 F N 1.640 121.735 119.950 0.242 0.000 2.711 48 F HA 0.837 5.364 4.527 -0.000 0.000 0.313 48 F C -0.934 175.035 175.800 0.281 0.000 1.141 48 F CA -0.913 57.313 58.000 0.377 0.000 0.941 48 F CB 1.616 40.768 39.000 0.253 0.000 1.349 48 F HN 0.372 nan 8.300 nan 0.000 0.464 49 S N 2.264 118.194 115.700 0.383 0.000 2.667 49 S HA 0.437 4.907 4.470 -0.000 0.000 0.304 49 S C -1.929 172.631 174.600 -0.066 0.000 1.135 49 S CA -1.649 56.468 58.200 -0.138 0.000 1.125 49 S CB 0.848 63.768 63.200 -0.466 0.000 0.996 49 S HN 0.511 nan 8.310 nan 0.000 0.474 50 P HA -0.135 nan 4.420 nan 0.000 0.218 50 P C 1.445 178.657 177.300 -0.147 0.000 1.146 50 P CA 0.582 63.674 63.100 -0.014 0.000 0.813 50 P CB 0.149 31.840 31.700 -0.015 0.000 0.778 51 L N -0.091 120.996 121.223 -0.228 0.000 2.044 51 L HA -0.027 4.313 4.340 -0.000 0.000 0.205 51 L C 2.704 179.484 176.870 -0.150 0.000 1.075 51 L CA 2.003 56.707 54.840 -0.227 0.000 0.747 51 L CB -1.632 40.268 42.059 -0.264 0.000 0.903 51 L HN -0.085 nan 8.230 nan 0.000 0.435 52 S N -0.315 115.305 115.700 -0.132 0.000 2.359 52 S HA -0.235 4.235 4.470 -0.000 0.000 0.223 52 S C 2.076 176.634 174.600 -0.069 0.000 1.039 52 S CA 2.107 60.289 58.200 -0.031 0.000 1.042 52 S CB -0.535 62.713 63.200 0.081 0.000 0.915 52 S HN 0.487 nan 8.310 nan 0.000 0.439 53 I N 1.531 122.015 120.570 -0.143 0.000 2.394 53 I HA -0.129 4.041 4.170 -0.000 0.000 0.251 53 I C 2.743 178.771 176.117 -0.150 0.000 1.136 53 I CA 0.838 62.035 61.300 -0.173 0.000 1.425 53 I CB -0.576 37.287 38.000 -0.229 0.000 1.079 53 I HN 0.406 nan 8.210 nan 0.000 0.425 54 A N 1.512 124.239 122.820 -0.155 0.000 1.845 54 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 54 A C 2.283 179.756 177.584 -0.184 0.000 1.195 54 A CA 1.446 53.376 52.037 -0.179 0.000 0.616 54 A CB -0.986 17.878 19.000 -0.228 0.000 0.832 54 A HN 0.357 nan 8.150 nan 0.000 0.443 55 L N -0.711 120.433 121.223 -0.132 0.000 2.051 55 L HA -0.311 4.029 4.340 -0.000 0.000 0.214 55 L C 3.082 179.755 176.870 -0.329 0.000 1.076 55 L CA 1.362 56.127 54.840 -0.125 0.000 0.758 55 L CB -0.745 41.331 42.059 0.028 0.000 0.890 55 L HN 0.492 nan 8.230 nan 0.000 0.433 56 A N -0.521 122.177 122.820 -0.203 0.000 1.858 56 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 56 A C 2.259 179.689 177.584 -0.255 0.000 1.190 56 A CA 1.652 53.576 52.037 -0.189 0.000 0.617 56 A CB -0.390 18.559 19.000 -0.084 0.000 0.827 56 A HN 0.283 nan 8.150 nan 0.000 0.443 57 M N -0.221 119.246 119.600 -0.223 0.000 2.394 57 M HA -0.039 4.441 4.480 -0.000 0.000 0.264 57 M C 2.189 178.319 176.300 -0.283 0.000 1.073 57 M CA 1.012 56.191 55.300 -0.202 0.000 1.111 57 M CB -1.752 30.761 32.600 -0.145 0.000 1.401 57 M HN 0.491 nan 8.290 nan 0.000 0.448 58 G N 0.799 109.340 108.800 -0.431 0.000 2.418 58 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 58 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 58 G C 1.567 175.898 174.900 -0.948 0.000 1.158 58 G CA 0.982 45.708 45.100 -0.623 0.000 0.771 58 G HN 0.554 nan 8.290 nan 0.000 0.545 59 M N -0.622 118.254 119.600 -1.207 0.000 2.254 59 M HA 0.093 4.573 4.480 -0.000 0.000 0.265 59 M C 2.300 178.509 176.300 -0.151 0.000 1.066 59 M CA 1.299 56.167 55.300 -0.719 0.000 1.123 59 M CB -0.356 31.899 32.600 -0.575 0.000 1.388 59 M HN 0.036 nan 8.290 nan 0.000 0.425 60 M N 1.234 120.726 119.600 -0.179 0.000 2.159 60 M HA -0.153 4.326 4.480 -0.000 0.000 0.263 60 M C 2.095 178.388 176.300 -0.012 0.000 1.063 60 M CA 1.980 57.233 55.300 -0.077 0.000 1.110 60 M CB -1.458 31.065 32.600 -0.129 0.000 1.374 60 M HN 0.556 nan 8.290 nan 0.000 0.411 61 E N 0.634 120.814 120.200 -0.033 0.000 2.051 61 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 61 E C 2.169 178.922 176.600 0.255 0.000 0.991 61 E CA 1.025 57.473 56.400 0.080 0.000 0.799 61 E CB -0.121 29.611 29.700 0.053 0.000 0.748 61 E HN 0.438 nan 8.360 nan 0.000 0.449 62 L N 0.262 121.701 121.223 0.360 0.000 2.129 62 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 62 L C 2.415 179.642 176.870 0.596 0.000 1.087 62 L CA 1.309 56.514 54.840 0.607 0.000 0.757 62 L CB -0.429 42.017 42.059 0.645 0.000 0.896 62 L HN 0.369 nan 8.230 nan 0.000 0.434 63 G N -1.199 107.875 108.800 0.457 0.000 2.623 63 G HA2 0.218 4.178 3.960 -0.000 0.000 0.214 63 G HA3 0.218 4.178 3.960 -0.000 0.000 0.214 63 G C 0.574 175.434 174.900 -0.066 0.000 1.138 63 G CA 0.528 45.628 45.100 0.001 0.000 0.794 63 G HN 0.410 nan 8.290 nan 0.000 0.535 64 A N -0.822 122.022 122.820 0.040 0.000 2.284 64 A HA 0.851 5.171 4.320 -0.000 0.000 0.317 64 A C -0.401 177.210 177.584 0.045 0.000 1.120 64 A CA -0.525 51.519 52.037 0.011 0.000 0.900 64 A CB 1.189 20.191 19.000 0.004 0.000 1.319 64 A HN 0.174 nan 8.150 nan 0.000 0.494 65 Q N -1.028 118.788 119.800 0.026 0.000 2.391 65 Q HA 0.480 4.819 4.340 -0.000 0.000 0.279 65 Q C 0.267 176.281 176.000 0.023 0.000 1.028 65 Q CA -0.084 55.739 55.803 0.033 0.000 0.836 65 Q CB 1.870 30.622 28.738 0.023 0.000 1.414 65 Q HN 1.964 nan 8.270 nan 0.000 0.397 66 G N 1.673 110.489 108.800 0.026 0.000 2.594 66 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.297 66 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.297 66 G C 0.918 175.827 174.900 0.014 0.000 1.273 66 G CA 1.056 46.167 45.100 0.017 0.000 0.974 66 G HN 1.026 nan 8.290 nan 0.000 0.552 67 S N -1.164 114.539 115.700 0.005 0.000 2.419 67 S HA -0.119 4.351 4.470 -0.000 0.000 0.235 67 S C 2.225 176.827 174.600 0.002 0.000 1.019 67 S CA 2.807 61.007 58.200 -0.000 0.000 0.982 67 S CB -0.663 62.533 63.200 -0.007 0.000 0.789 67 S HN 1.078 nan 8.310 nan 0.000 0.490 68 T N 1.462 116.018 114.554 0.003 0.000 2.812 68 T HA -0.033 4.316 4.350 -0.000 0.000 0.264 68 T C 1.931 176.636 174.700 0.009 0.000 1.042 68 T CA 1.381 63.480 62.100 -0.001 0.000 1.140 68 T CB -0.371 68.489 68.868 -0.014 0.000 0.870 68 T HN 0.611 nan 8.240 nan 0.000 0.445 69 Q N 0.955 120.769 119.800 0.024 0.000 2.079 69 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 69 Q C 2.330 178.364 176.000 0.057 0.000 0.974 69 Q CA 1.340 57.172 55.803 0.048 0.000 0.840 69 Q CB -0.081 28.700 28.738 0.071 0.000 0.898 69 Q HN 0.393 nan 8.270 nan 0.000 0.430 70 K N 0.556 120.983 120.400 0.045 0.000 2.074 70 K HA -0.239 4.081 4.320 -0.000 0.000 0.209 70 K C 1.924 178.560 176.600 0.060 0.000 1.048 70 K CA 1.798 58.113 56.287 0.047 0.000 0.926 70 K CB -0.084 32.426 32.500 0.017 0.000 0.713 70 K HN 0.257 nan 8.250 nan 0.000 0.444 71 E N 0.265 120.490 120.200 0.042 0.000 2.208 71 E HA -0.138 4.211 4.350 -0.000 0.000 0.193 71 E C 1.909 178.557 176.600 0.081 0.000 0.988 71 E CA 0.728 57.163 56.400 0.058 0.000 0.828 71 E CB 0.049 29.768 29.700 0.032 0.000 0.763 71 E HN 0.383 nan 8.360 nan 0.000 0.478 72 I N 0.364 120.966 120.570 0.053 0.000 2.193 72 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 72 I C 2.734 178.879 176.117 0.046 0.000 1.084 72 I CA 0.798 62.118 61.300 0.033 0.000 1.365 72 I CB -0.268 37.736 38.000 0.007 0.000 1.064 72 I HN 0.048 nan 8.210 nan 0.000 0.410 73 R N -0.264 120.280 120.500 0.073 0.000 2.103 73 R HA -0.274 4.066 4.340 -0.000 0.000 0.242 73 R C 2.379 178.725 176.300 0.076 0.000 1.142 73 R CA 2.102 58.249 56.100 0.078 0.000 0.960 73 R CB -0.611 29.753 30.300 0.106 0.000 0.858 73 R HN 0.434 nan 8.270 nan 0.000 0.439 74 H N -0.064 119.014 119.070 0.013 0.000 2.299 74 H HA 0.028 4.584 4.556 -0.000 0.000 0.302 74 H C 1.876 177.205 175.328 0.001 0.000 1.078 74 H CA 2.074 58.128 56.048 0.009 0.000 1.323 74 H CB -0.008 29.760 29.762 0.011 0.000 1.381 74 H HN 0.005 nan 8.280 nan 0.000 0.498 75 S N -0.035 115.702 115.700 0.062 0.000 2.507 75 S HA -0.080 4.389 4.470 -0.000 0.000 0.235 75 S C 1.651 176.216 174.600 -0.058 0.000 0.988 75 S CA 0.987 59.185 58.200 -0.004 0.000 0.944 75 S CB 0.016 63.243 63.200 0.045 0.000 0.762 75 S HN 0.392 nan 8.310 nan 0.000 0.526 76 M N -0.139 119.425 119.600 -0.060 0.000 2.969 76 M HA 0.293 4.772 4.480 -0.000 0.000 0.234 76 M C 1.245 177.494 176.300 -0.086 0.000 1.409 76 M CA 0.770 56.026 55.300 -0.073 0.000 1.314 76 M CB -1.068 31.490 32.600 -0.070 0.000 1.130 76 M HN 0.265 nan 8.290 nan 0.000 0.558 87 F N 1.486 121.374 119.950 -0.102 0.000 2.064 87 F HA -0.347 4.179 4.527 -0.000 0.000 0.292 87 F C 2.494 178.099 175.800 -0.325 0.000 1.107 87 F CA 2.305 60.097 58.000 -0.347 0.000 1.243 87 F CB -1.662 36.929 39.000 -0.680 0.000 0.949 87 F HN 0.304 nan 8.300 nan 0.000 0.506 88 S N 0.244 115.917 115.700 -0.045 0.000 2.407 88 S HA -0.360 4.110 4.470 -0.000 0.000 0.244 88 S C 1.872 176.547 174.600 0.125 0.000 1.077 88 S CA 2.027 60.215 58.200 -0.020 0.000 1.159 88 S CB -1.447 61.763 63.200 0.017 0.000 1.045 88 S HN 0.546 nan 8.310 nan 0.000 0.438 89 F N 1.693 121.648 119.950 0.009 0.000 2.102 89 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 89 F C 2.029 177.890 175.800 0.101 0.000 1.105 89 F CA 1.037 59.076 58.000 0.064 0.000 1.239 89 F CB -0.130 38.914 39.000 0.073 0.000 0.991 89 F HN 0.112 nan 8.300 nan 0.000 0.474 90 L N 0.948 122.399 121.223 0.380 0.000 2.027 90 L HA -0.237 4.102 4.340 -0.000 0.000 0.206 90 L C 2.477 179.493 176.870 0.243 0.000 1.074 90 L CA 1.651 56.626 54.840 0.226 0.000 0.745 90 L CB -0.846 41.264 42.059 0.086 0.000 0.898 90 L HN 0.079 nan 8.230 nan 0.000 0.433 91 K N 0.084 120.539 120.400 0.093 0.000 2.242 91 K HA -0.317 4.003 4.320 -0.000 0.000 0.206 91 K C 1.950 178.633 176.600 0.138 0.000 1.045 91 K CA 1.856 58.195 56.287 0.087 0.000 0.930 91 K CB 0.043 32.593 32.500 0.083 0.000 0.726 91 K HN 0.173 nan 8.250 nan 0.000 0.462 92 E N 0.214 120.532 120.200 0.197 0.000 2.001 92 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 92 E C 1.432 178.070 176.600 0.062 0.000 1.002 92 E CA 1.832 58.288 56.400 0.094 0.000 0.819 92 E CB -0.392 29.355 29.700 0.078 0.000 0.769 92 E HN 0.349 nan 8.360 nan 0.000 0.454 93 F N 0.663 120.743 119.950 0.216 0.000 2.699 93 F HA 0.033 4.560 4.527 -0.000 0.000 0.298 93 F C 2.187 178.078 175.800 0.151 0.000 1.154 93 F CA 0.596 58.707 58.000 0.186 0.000 1.457 93 F CB -0.017 39.120 39.000 0.229 0.000 1.106 93 F HN -0.042 nan 8.300 nan 0.000 0.585 94 S N 0.098 115.959 115.700 0.270 0.000 2.537 94 S HA -0.125 4.345 4.470 -0.000 0.000 0.240 94 S C 1.417 176.102 174.600 0.142 0.000 0.981 94 S CA 1.129 59.447 58.200 0.196 0.000 0.948 94 S CB -0.214 63.088 63.200 0.170 0.000 0.759 94 S HN 0.524 nan 8.310 nan 0.000 0.531 95 N N -0.321 118.443 118.700 0.106 0.000 2.575 95 N HA 0.135 4.874 4.740 -0.000 0.000 0.258 95 N C 1.301 176.823 175.510 0.020 0.000 1.019 95 N CA 0.128 53.209 53.050 0.052 0.000 0.909 95 N CB -0.775 37.720 38.487 0.013 0.000 1.728 95 N HN 0.183 nan 8.380 nan 0.000 0.604 96 M N 2.387 121.921 119.600 -0.110 0.000 2.252 96 M HA -0.094 4.386 4.480 -0.000 0.000 0.257 96 M C 0.306 176.595 176.300 -0.018 0.000 1.077 96 M CA 1.454 56.595 55.300 -0.265 0.000 1.066 96 M CB -0.114 31.933 32.600 -0.921 0.000 1.380 96 M HN 0.076 nan 8.290 nan 0.000 0.412 97 V N -3.933 116.095 119.914 0.190 0.000 2.546 97 V HA 0.491 4.610 4.120 -0.000 0.000 0.260 97 V C 0.081 176.429 176.094 0.423 0.000 0.933 97 V CA 0.122 62.683 62.300 0.435 0.000 0.994 97 V CB -0.091 32.026 31.823 0.491 0.000 1.160 97 V HN 0.284 nan 8.190 nan 0.000 0.523 98 T N 0.941 115.665 114.554 0.283 0.000 3.320 98 T HA 0.219 4.568 4.350 -0.000 0.000 0.265 98 T C 1.630 176.350 174.700 0.035 0.000 0.835 98 T CA 1.089 63.298 62.100 0.182 0.000 0.839 98 T CB 0.129 69.096 68.868 0.165 0.000 1.241 98 T HN 0.893 nan 8.240 nan 0.000 0.654 99 A N 1.523 124.340 122.820 -0.006 0.000 2.272 99 A HA 0.123 4.443 4.320 -0.000 0.000 0.213 99 A C 1.499 179.006 177.584 -0.128 0.000 1.183 99 A CA 2.205 54.211 52.037 -0.053 0.000 0.719 99 A CB -0.718 18.258 19.000 -0.040 0.000 0.771 99 A HN 0.659 nan 8.150 nan 0.000 0.484 100 K N -2.418 117.845 120.400 -0.229 0.000 7.382 100 K HA -0.320 4.000 4.320 -0.000 0.000 0.476 100 K C 0.508 176.885 176.600 -0.371 0.000 0.371 100 K CA 1.672 57.773 56.287 -0.311 0.000 1.942 100 K CB -1.034 31.366 32.500 -0.167 0.000 0.717 100 K HN 0.520 nan 8.250 nan 0.000 0.835 101 E N 0.736 120.799 120.200 -0.228 0.000 2.103 101 E HA -0.266 4.084 4.350 -0.000 0.000 0.186 101 E C 0.065 176.572 176.600 -0.155 0.000 1.392 101 E CA 1.309 57.609 56.400 -0.167 0.000 0.691 101 E CB -1.223 28.387 29.700 -0.150 0.000 1.068 101 E HN 0.469 nan 8.360 nan 0.000 0.328 102 S N -2.138 113.484 115.700 -0.130 0.000 1.476 102 S HA -0.422 4.048 4.470 -0.000 0.000 0.242 102 S C 1.312 175.854 174.600 -0.097 0.000 0.711 102 S CA 1.855 59.999 58.200 -0.092 0.000 1.268 102 S CB -1.195 61.976 63.200 -0.049 0.000 1.523 102 S HN 0.728 nan 8.310 nan 0.000 0.510 103 Q N 1.356 121.096 119.800 -0.101 0.000 2.377 103 Q HA 0.129 4.468 4.340 -0.000 0.000 0.193 103 Q C 1.012 176.929 176.000 -0.139 0.000 0.986 103 Q CA 0.871 56.635 55.803 -0.065 0.000 0.851 103 Q CB -0.572 28.188 28.738 0.036 0.000 0.986 103 Q HN 0.777 nan 8.270 nan 0.000 0.559 104 Y N 2.122 122.308 120.300 -0.189 0.000 2.393 104 Y HA 0.553 5.103 4.550 -0.000 0.000 0.338 104 Y C -0.916 174.799 175.900 -0.308 0.000 1.029 104 Y CA -1.433 56.432 58.100 -0.393 0.000 1.239 104 Y CB 0.984 39.240 38.460 -0.340 0.000 1.170 104 Y HN -0.085 nan 8.280 nan 0.000 0.515 105 V N 7.812 127.529 119.914 -0.328 0.000 2.328 105 V HA 0.318 4.438 4.120 -0.000 0.000 0.278 105 V C 0.142 176.243 176.094 0.012 0.000 1.021 105 V CA -0.910 61.289 62.300 -0.167 0.000 0.838 105 V CB 0.846 32.627 31.823 -0.070 0.000 0.999 105 V HN 0.893 nan 8.190 nan 0.000 0.447 106 M N 4.833 124.589 119.600 0.260 0.000 2.363 106 M HA 0.566 5.046 4.480 -0.000 0.000 0.343 106 M C -0.569 175.912 176.300 0.301 0.000 1.165 106 M CA -0.550 55.006 55.300 0.426 0.000 1.046 106 M CB 2.033 34.960 32.600 0.545 0.000 1.648 106 M HN 0.452 nan 8.290 nan 0.000 0.452 107 K N 4.253 124.856 120.400 0.339 0.000 2.545 107 K HA 0.469 4.789 4.320 -0.000 0.000 0.252 107 K C -1.107 175.641 176.600 0.247 0.000 0.948 107 K CA -0.571 55.861 56.287 0.242 0.000 0.827 107 K CB 1.564 34.190 32.500 0.210 0.000 1.128 107 K HN 0.659 nan 8.250 nan 0.000 0.429 108 I N -0.522 120.166 120.570 0.197 0.000 2.339 108 I HA 0.575 4.744 4.170 -0.000 0.000 0.290 108 I C 0.050 176.268 176.117 0.168 0.000 0.994 108 I CA -0.703 60.718 61.300 0.201 0.000 1.191 108 I CB 1.942 40.058 38.000 0.193 0.000 1.343 108 I HN 0.465 nan 8.210 nan 0.000 0.458 109 A N 4.919 127.860 122.820 0.202 0.000 2.412 109 A HA 0.565 4.884 4.320 -0.000 0.000 0.334 109 A C -0.500 177.373 177.584 0.482 0.000 1.419 109 A CA -0.448 51.750 52.037 0.268 0.000 0.930 109 A CB -0.180 18.904 19.000 0.139 0.000 1.149 109 A HN 0.712 nan 8.150 nan 0.000 0.515 110 N N 1.221 120.179 118.700 0.431 0.000 2.417 110 N HA 0.594 5.334 4.740 -0.000 0.000 0.274 110 N C -1.074 174.559 175.510 0.204 0.000 0.987 110 N CA 0.172 53.390 53.050 0.280 0.000 0.912 110 N CB 1.651 40.235 38.487 0.161 0.000 1.177 110 N HN 0.540 nan 8.380 nan 0.000 0.490 111 S N 2.910 118.618 115.700 0.012 0.000 2.550 111 S HA 0.614 5.083 4.470 -0.000 0.000 0.270 111 S C -2.176 172.272 174.600 -0.253 0.000 1.145 111 S CA -0.638 57.370 58.200 -0.319 0.000 0.852 111 S CB 0.815 63.361 63.200 -1.090 0.000 1.119 111 S HN 0.321 nan 8.310 nan 0.000 0.465 112 L N 3.755 124.770 121.223 -0.347 0.000 2.342 112 L HA 0.657 4.996 4.340 -0.000 0.000 0.276 112 L C -1.674 175.025 176.870 -0.285 0.000 0.997 112 L CA -0.350 54.393 54.840 -0.162 0.000 0.838 112 L CB 0.657 42.670 42.059 -0.076 0.000 1.224 112 L HN 0.668 nan 8.230 nan 0.000 0.416 113 F N 4.702 124.599 119.950 -0.087 0.000 2.411 113 F HA 0.587 5.114 4.527 -0.000 0.000 0.355 113 F C 0.276 176.159 175.800 0.137 0.000 1.117 113 F CA -0.515 57.465 58.000 -0.034 0.000 1.139 113 F CB 1.558 40.545 39.000 -0.021 0.000 1.120 113 F HN 0.200 nan 8.300 nan 0.000 0.493 114 V N 4.229 124.243 119.914 0.166 0.000 2.709 114 V HA 0.449 4.569 4.120 -0.000 0.000 0.308 114 V C -0.513 175.780 176.094 0.332 0.000 1.062 114 V CA -0.721 61.695 62.300 0.193 0.000 0.901 114 V CB 1.797 33.577 31.823 -0.072 0.000 1.003 114 V HN 0.761 nan 8.190 nan 0.000 0.425 115 Q N 4.497 124.613 119.800 0.527 0.000 2.428 115 Q HA 0.105 4.444 4.340 -0.000 0.000 0.276 115 Q C 0.781 177.142 176.000 0.602 0.000 1.059 115 Q CA 0.883 57.047 55.803 0.601 0.000 0.923 115 Q CB 0.618 29.834 28.738 0.796 0.000 1.283 115 Q HN 0.787 nan 8.270 nan 0.000 0.447 116 N N 1.758 120.669 118.700 0.351 0.000 2.453 116 N HA -0.034 4.706 4.740 -0.000 0.000 0.183 116 N C 1.104 176.649 175.510 0.057 0.000 1.041 116 N CA 1.004 54.122 53.050 0.112 0.000 0.900 116 N CB -0.185 38.297 38.487 -0.009 0.000 0.961 116 N HN 0.725 nan 8.380 nan 0.000 0.443 117 G N 0.102 108.981 108.800 0.132 0.000 2.414 117 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.215 117 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.215 117 G C 0.133 174.972 174.900 -0.102 0.000 1.188 117 G CA 0.054 45.083 45.100 -0.118 0.000 0.783 117 G HN 0.152 nan 8.290 nan 0.000 0.537 118 F N 1.268 121.300 119.950 0.137 0.000 2.504 118 F HA 0.316 4.842 4.527 -0.000 0.000 0.369 118 F C 0.794 176.748 175.800 0.256 0.000 1.082 118 F CA -0.823 57.262 58.000 0.141 0.000 1.216 118 F CB 0.280 39.327 39.000 0.079 0.000 1.108 118 F HN 0.051 nan 8.300 nan 0.000 0.554 119 H N 2.641 121.852 119.070 0.235 0.000 2.473 119 H HA 0.449 5.005 4.556 -0.000 0.000 0.327 119 H C -0.985 174.442 175.328 0.165 0.000 1.105 119 H CA -0.571 55.605 56.048 0.213 0.000 1.280 119 H CB 1.705 31.534 29.762 0.112 0.000 1.450 119 H HN 0.378 nan 8.280 nan 0.000 0.492 120 V N 5.714 125.485 119.914 -0.238 0.000 2.383 120 V HA -0.020 4.099 4.120 -0.000 0.000 0.275 120 V C 0.136 176.214 176.094 -0.026 0.000 1.036 120 V CA -1.026 61.205 62.300 -0.114 0.000 0.889 120 V CB 0.802 32.567 31.823 -0.096 0.000 0.985 120 V HN 0.777 nan 8.190 nan 0.000 0.459 121 N N 4.152 122.890 118.700 0.063 0.000 2.138 121 N HA -0.103 4.637 4.740 -0.000 0.000 0.271 121 N C 1.145 176.757 175.510 0.169 0.000 1.272 121 N CA 0.280 53.412 53.050 0.136 0.000 0.819 121 N CB 0.608 39.165 38.487 0.116 0.000 1.052 121 N HN 0.658 nan 8.380 nan 0.000 0.479 122 E N 1.591 121.885 120.200 0.157 0.000 2.114 122 E HA -0.238 4.111 4.350 -0.000 0.000 0.199 122 E C 1.403 178.069 176.600 0.111 0.000 1.008 122 E CA 1.348 57.827 56.400 0.131 0.000 0.810 122 E CB 0.068 29.838 29.700 0.116 0.000 0.739 122 E HN 0.686 nan 8.360 nan 0.000 0.456 123 E N -0.497 119.776 120.200 0.121 0.000 2.122 123 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 123 E C 1.809 178.479 176.600 0.117 0.000 0.977 123 E CA 0.242 56.699 56.400 0.094 0.000 0.820 123 E CB -0.098 29.653 29.700 0.086 0.000 0.770 123 E HN 0.293 nan 8.360 nan 0.000 0.462 124 F N 1.685 121.660 119.950 0.042 0.000 2.154 124 F HA -0.229 4.298 4.527 -0.000 0.000 0.301 124 F C 1.866 177.694 175.800 0.047 0.000 1.087 124 F CA 1.325 59.360 58.000 0.058 0.000 1.274 124 F CB -0.155 38.873 39.000 0.047 0.000 1.009 124 F HN -0.007 nan 8.300 nan 0.000 0.485 125 L N -0.171 121.061 121.223 0.015 0.000 2.083 125 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 125 L C 2.600 179.389 176.870 -0.134 0.000 1.083 125 L CA 1.348 56.130 54.840 -0.096 0.000 0.752 125 L CB -0.758 41.306 42.059 0.010 0.000 0.899 125 L HN 0.226 nan 8.230 nan 0.000 0.433 126 Q N -0.833 118.914 119.800 -0.088 0.000 2.083 126 Q HA -0.210 4.130 4.340 -0.000 0.000 0.198 126 Q C 2.258 178.146 176.000 -0.186 0.000 0.969 126 Q CA 1.474 57.214 55.803 -0.105 0.000 0.838 126 Q CB -0.114 28.585 28.738 -0.065 0.000 0.900 126 Q HN 0.476 nan 8.270 nan 0.000 0.436 127 M N 0.176 119.664 119.600 -0.187 0.000 2.086 127 M HA -0.193 4.286 4.480 -0.000 0.000 0.261 127 M C 2.211 178.378 176.300 -0.223 0.000 1.067 127 M CA 1.276 56.426 55.300 -0.250 0.000 1.116 127 M CB -0.042 32.537 32.600 -0.034 0.000 1.348 127 M HN 0.163 nan 8.290 nan 0.000 0.407 128 M N 0.075 119.539 119.600 -0.227 0.000 2.260 128 M HA -0.232 4.248 4.480 -0.000 0.000 0.261 128 M C 1.804 178.078 176.300 -0.044 0.000 1.066 128 M CA 1.806 57.015 55.300 -0.152 0.000 1.082 128 M CB -0.222 32.091 32.600 -0.479 0.000 1.388 128 M HN 0.199 nan 8.290 nan 0.000 0.419 129 K N -0.788 119.542 120.400 -0.117 0.000 2.202 129 K HA -0.052 4.268 4.320 -0.000 0.000 0.201 129 K C 2.093 178.621 176.600 -0.121 0.000 1.051 129 K CA 0.624 56.864 56.287 -0.078 0.000 0.977 129 K CB -0.130 32.327 32.500 -0.073 0.000 0.792 129 K HN 0.263 nan 8.250 nan 0.000 0.469 130 K N -0.469 119.773 120.400 -0.264 0.000 2.097 130 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 130 K C 1.216 177.640 176.600 -0.293 0.000 1.049 130 K CA 1.508 57.575 56.287 -0.366 0.000 0.933 130 K CB 0.013 32.123 32.500 -0.649 0.000 0.717 130 K HN 0.142 nan 8.250 nan 0.000 0.442 131 Y N -1.097 119.108 120.300 -0.159 0.000 2.259 131 Y HA 0.081 4.631 4.550 -0.000 0.000 0.285 131 Y C 1.950 177.641 175.900 -0.348 0.000 1.130 131 Y CA 0.382 58.278 58.100 -0.340 0.000 1.144 131 Y CB -0.737 37.357 38.460 -0.610 0.000 1.093 131 Y HN -0.084 nan 8.280 nan 0.000 0.507 132 F N 0.149 120.199 119.950 0.167 0.000 2.615 132 F HA 0.076 4.603 4.527 -0.000 0.000 0.297 132 F C 0.823 176.660 175.800 0.061 0.000 1.124 132 F CA 0.592 58.641 58.000 0.082 0.000 1.451 132 F CB -0.756 38.258 39.000 0.023 0.000 1.103 132 F HN 0.042 nan 8.300 nan 0.000 0.569 133 N N 0.122 118.923 118.700 0.168 0.000 2.714 133 N HA -0.197 4.543 4.740 -0.000 0.000 0.253 133 N C -0.372 175.221 175.510 0.138 0.000 1.024 133 N CA 0.478 53.594 53.050 0.111 0.000 0.726 133 N CB -0.911 37.631 38.487 0.093 0.000 0.908 133 N HN 0.420 nan 8.380 nan 0.000 0.542 134 A N -0.122 122.783 122.820 0.141 0.000 3.540 134 A HA 0.982 5.301 4.320 -0.000 0.000 0.180 134 A C -0.484 177.153 177.584 0.089 0.000 1.231 134 A CA 0.133 52.251 52.037 0.134 0.000 0.873 134 A CB 0.908 19.974 19.000 0.110 0.000 1.548 134 A HN 1.180 nan 8.150 nan 0.000 0.570 135 A N -1.185 121.658 122.820 0.038 0.000 2.488 135 A HA 0.592 4.911 4.320 -0.000 0.000 0.295 135 A C -1.505 175.960 177.584 -0.198 0.000 1.045 135 A CA -0.284 51.732 52.037 -0.035 0.000 0.703 135 A CB 1.236 20.281 19.000 0.075 0.000 1.271 135 A HN 1.090 nan 8.150 nan 0.000 0.400 136 V N 3.716 123.524 119.914 -0.178 0.000 2.370 136 V HA 0.390 4.510 4.120 -0.000 0.000 0.279 136 V C -0.399 175.501 176.094 -0.324 0.000 1.029 136 V CA -0.681 61.472 62.300 -0.245 0.000 0.870 136 V CB 1.354 33.104 31.823 -0.122 0.000 0.984 136 V HN 0.854 nan 8.190 nan 0.000 0.451 137 N N 2.313 120.714 118.700 -0.499 0.000 2.319 137 N HA 0.449 5.189 4.740 -0.000 0.000 0.305 137 N C -0.950 174.409 175.510 -0.252 0.000 1.103 137 N CA -0.601 52.214 53.050 -0.391 0.000 0.815 137 N CB 1.671 39.771 38.487 -0.646 0.000 1.288 137 N HN 0.585 nan 8.380 nan 0.000 0.493 138 H N 0.789 119.808 119.070 -0.084 0.000 2.541 138 H HA 0.436 4.992 4.556 -0.000 0.000 0.316 138 H C -0.553 174.691 175.328 -0.140 0.000 1.043 138 H CA -0.421 55.588 56.048 -0.065 0.000 1.232 138 H CB 0.843 30.581 29.762 -0.039 0.000 1.406 138 H HN 0.261 nan 8.280 nan 0.000 0.469 139 V N 1.170 121.042 119.914 -0.071 0.000 3.007 139 V HA 0.297 4.416 4.120 -0.000 0.000 0.311 139 V C -0.181 175.722 176.094 -0.318 0.000 1.120 139 V CA -1.235 60.875 62.300 -0.316 0.000 0.980 139 V CB 2.471 33.953 31.823 -0.568 0.000 1.033 139 V HN 0.557 nan 8.190 nan 0.000 0.429 140 D N 1.815 122.075 120.400 -0.233 0.000 2.393 140 D HA 0.356 4.996 4.640 -0.000 0.000 0.232 140 D C 0.388 176.609 176.300 -0.131 0.000 1.192 140 D CA -0.291 53.651 54.000 -0.098 0.000 0.882 140 D CB 0.559 41.340 40.800 -0.031 0.000 1.038 140 D HN 0.440 nan 8.370 nan 0.000 0.499 141 F N 1.748 121.705 119.950 0.011 0.000 2.451 141 F HA -0.063 4.464 4.527 -0.000 0.000 0.299 141 F C 2.515 178.333 175.800 0.030 0.000 1.101 141 F CA 0.366 58.351 58.000 -0.025 0.000 1.436 141 F CB -0.090 38.892 39.000 -0.030 0.000 1.074 141 F HN 0.338 nan 8.300 nan 0.000 0.553 142 S N -0.649 115.165 115.700 0.190 0.000 2.537 142 S HA -0.106 4.363 4.470 -0.000 0.000 0.240 142 S C 0.916 175.572 174.600 0.093 0.000 0.981 142 S CA 0.626 58.905 58.200 0.131 0.000 0.948 142 S CB -0.406 62.857 63.200 0.105 0.000 0.759 142 S HN 0.429 nan 8.310 nan 0.000 0.531 143 Q N 1.865 121.707 119.800 0.070 0.000 2.842 143 Q HA 0.199 4.539 4.340 -0.000 0.000 0.323 143 Q C 0.563 176.607 176.000 0.072 0.000 1.111 143 Q CA -0.469 55.362 55.803 0.047 0.000 1.047 143 Q CB 0.195 28.935 28.738 0.003 0.000 1.280 143 Q HN 0.440 nan 8.270 nan 0.000 0.475 144 N N 0.120 118.897 118.700 0.128 0.000 2.104 144 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 144 N C 1.308 176.924 175.510 0.176 0.000 1.024 144 N CA 1.361 54.538 53.050 0.211 0.000 0.853 144 N CB -0.348 38.252 38.487 0.190 0.000 1.008 144 N HN 0.198 nan 8.380 nan 0.000 0.424 145 V N 1.840 121.818 119.914 0.107 0.000 2.270 145 V HA -0.134 3.986 4.120 -0.000 0.000 0.245 145 V C 2.967 179.109 176.094 0.080 0.000 1.043 145 V CA 1.865 64.217 62.300 0.087 0.000 1.014 145 V CB -1.174 30.684 31.823 0.058 0.000 0.645 145 V HN 0.522 nan 8.190 nan 0.000 0.447 146 A N -0.638 122.214 122.820 0.055 0.000 1.940 146 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 146 A C 2.446 180.052 177.584 0.036 0.000 1.176 146 A CA 2.221 54.280 52.037 0.037 0.000 0.631 146 A CB -0.727 18.276 19.000 0.006 0.000 0.814 146 A HN 0.341 nan 8.150 nan 0.000 0.446 147 V N -0.614 119.303 119.914 0.005 0.000 2.488 147 V HA -0.041 4.078 4.120 -0.000 0.000 0.246 147 V C 2.795 178.870 176.094 -0.031 0.000 1.046 147 V CA 1.771 64.011 62.300 -0.101 0.000 1.053 147 V CB -0.645 30.980 31.823 -0.329 0.000 0.679 147 V HN 0.625 nan 8.190 nan 0.000 0.458 148 A N 0.776 123.684 122.820 0.148 0.000 1.859 148 A HA -0.296 4.023 4.320 -0.000 0.000 0.217 148 A C 1.947 179.596 177.584 0.108 0.000 1.198 148 A CA 2.479 54.649 52.037 0.222 0.000 0.629 148 A CB -0.970 18.155 19.000 0.209 0.000 0.830 148 A HN 0.642 nan 8.150 nan 0.000 0.446 149 N N -1.655 117.106 118.700 0.103 0.000 2.223 149 N HA -0.154 4.586 4.740 -0.000 0.000 0.185 149 N C 1.487 177.070 175.510 0.121 0.000 1.016 149 N CA 1.619 54.726 53.050 0.095 0.000 0.863 149 N CB -0.639 37.899 38.487 0.085 0.000 0.983 149 N HN 0.708 nan 8.380 nan 0.000 0.429 150 Y N 1.435 121.742 120.300 0.012 0.000 2.163 150 Y HA 0.016 4.566 4.550 -0.000 0.000 0.288 150 Y C 2.103 178.062 175.900 0.098 0.000 1.136 150 Y CA 1.143 59.272 58.100 0.048 0.000 1.147 150 Y CB -0.389 38.077 38.460 0.010 0.000 0.987 150 Y HN -0.059 nan 8.280 nan 0.000 0.509 151 I N 0.341 120.821 120.570 -0.151 0.000 2.163 151 I HA -0.363 3.807 4.170 -0.000 0.000 0.243 151 I C 1.920 178.037 176.117 -0.000 0.000 1.085 151 I CA 1.609 62.736 61.300 -0.289 0.000 1.347 151 I CB -0.518 37.170 38.000 -0.520 0.000 1.044 151 I HN 0.281 nan 8.210 nan 0.000 0.408 152 N N 0.769 119.484 118.700 0.025 0.000 2.166 152 N HA -0.192 4.547 4.740 -0.000 0.000 0.186 152 N C 1.783 177.325 175.510 0.054 0.000 1.019 152 N CA 1.157 54.242 53.050 0.058 0.000 0.856 152 N CB -0.193 38.325 38.487 0.051 0.000 0.993 152 N HN 0.143 nan 8.380 nan 0.000 0.426 153 K N -0.150 120.274 120.400 0.039 0.000 2.116 153 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 153 K C 1.806 178.413 176.600 0.012 0.000 1.052 153 K CA 0.628 56.925 56.287 0.017 0.000 0.952 153 K CB -0.659 31.857 32.500 0.028 0.000 0.729 153 K HN 0.259 nan 8.250 nan 0.000 0.446 154 W N 0.216 121.407 121.300 -0.182 0.000 2.342 154 W HA -0.209 4.450 4.660 -0.000 0.000 0.297 154 W C 1.444 177.930 176.519 -0.054 0.000 1.213 154 W CA 1.503 58.751 57.345 -0.162 0.000 1.251 154 W CB -0.103 29.215 29.460 -0.236 0.000 1.136 154 W HN -0.127 nan 8.180 nan 0.000 0.526 155 V N 1.003 121.078 119.914 0.269 0.000 2.295 155 V HA -0.308 3.811 4.120 -0.000 0.000 0.246 155 V C 2.122 178.140 176.094 -0.126 0.000 1.049 155 V CA 2.422 64.785 62.300 0.105 0.000 1.024 155 V CB -0.941 31.015 31.823 0.222 0.000 0.648 155 V HN 0.214 nan 8.190 nan 0.000 0.447 156 E N 0.478 120.620 120.200 -0.097 0.000 2.038 156 E HA -0.232 4.117 4.350 -0.000 0.000 0.195 156 E C 1.901 178.374 176.600 -0.212 0.000 1.000 156 E CA 1.487 57.802 56.400 -0.142 0.000 0.803 156 E CB -0.319 29.321 29.700 -0.101 0.000 0.750 156 E HN 0.541 nan 8.360 nan 0.000 0.448 157 N N 0.784 119.338 118.700 -0.245 0.000 2.588 157 N HA -0.103 4.636 4.740 -0.000 0.000 0.190 157 N C 0.424 175.690 175.510 -0.406 0.000 1.094 157 N CA 0.805 53.682 53.050 -0.289 0.000 0.921 157 N CB -0.076 38.251 38.487 -0.266 0.000 0.959 157 N HN 0.157 nan 8.380 nan 0.000 0.448 158 N N -1.614 116.785 118.700 -0.500 0.000 2.170 158 N HA 0.054 4.793 4.740 -0.000 0.000 0.222 158 N C -0.326 175.023 175.510 -0.268 0.000 1.218 158 N CA 0.111 52.874 53.050 -0.479 0.000 0.889 158 N CB 0.854 38.828 38.487 -0.855 0.000 1.083 158 N HN 0.110 nan 8.380 nan 0.000 0.520 159 T N -2.931 111.487 114.554 -0.226 0.000 3.487 159 T HA 0.219 4.569 4.350 -0.000 0.000 0.287 159 T C 0.197 174.751 174.700 -0.244 0.000 1.004 159 T CA -0.566 61.432 62.100 -0.170 0.000 0.977 159 T CB -0.318 68.475 68.868 -0.124 0.000 1.180 159 T HN -0.058 nan 8.240 nan 0.000 0.490 160 N N 2.736 121.306 118.700 -0.217 0.000 2.708 160 N HA -0.252 4.488 4.740 -0.000 0.000 0.251 160 N C -0.122 175.236 175.510 -0.253 0.000 1.017 160 N CA 1.216 54.134 53.050 -0.219 0.000 0.742 160 N CB -2.162 36.191 38.487 -0.224 0.000 0.943 160 N HN 0.892 nan 8.380 nan 0.000 0.539 161 N N -2.210 116.352 118.700 -0.230 0.000 2.747 161 N HA -0.241 4.499 4.740 -0.000 0.000 0.249 161 N C 0.622 175.967 175.510 -0.276 0.000 1.107 161 N CA 1.033 53.956 53.050 -0.212 0.000 0.707 161 N CB -1.019 37.368 38.487 -0.166 0.000 1.054 161 N HN 0.465 nan 8.380 nan 0.000 0.555 162 L N -1.303 119.696 121.223 -0.373 0.000 2.445 162 L HA 0.217 4.557 4.340 -0.000 0.000 0.207 162 L C 0.376 176.954 176.870 -0.486 0.000 1.053 162 L CA 0.371 54.883 54.840 -0.547 0.000 0.841 162 L CB 0.373 41.866 42.059 -0.942 0.000 1.074 162 L HN -0.015 nan 8.230 nan 0.000 0.479 163 V N 2.159 121.892 119.914 -0.302 0.000 2.389 163 V HA 0.213 4.333 4.120 -0.000 0.000 0.264 163 V C -0.117 175.922 176.094 -0.092 0.000 1.049 163 V CA -0.288 61.915 62.300 -0.162 0.000 0.932 163 V CB 0.566 32.373 31.823 -0.028 0.000 1.011 163 V HN 0.188 nan 8.190 nan 0.000 0.475 164 K N 2.736 123.097 120.400 -0.066 0.000 2.400 164 K HA 0.462 4.782 4.320 -0.000 0.000 0.246 164 K C -0.309 176.296 176.600 0.009 0.000 0.995 164 K CA -0.953 55.316 56.287 -0.030 0.000 0.840 164 K CB 1.525 33.997 32.500 -0.047 0.000 1.293 164 K HN 0.545 nan 8.250 nan 0.000 0.445 165 D N 1.169 121.579 120.400 0.017 0.000 2.705 165 D HA -0.162 4.477 4.640 -0.000 0.000 0.240 165 D C -0.096 176.225 176.300 0.034 0.000 1.137 165 D CA 0.320 54.336 54.000 0.025 0.000 0.677 165 D CB -0.778 40.036 40.800 0.022 0.000 1.049 165 D HN 0.544 nan 8.370 nan 0.000 0.427 166 L N -0.049 121.201 121.223 0.046 0.000 2.209 166 L HA 0.214 4.554 4.340 -0.000 0.000 0.207 166 L C 1.008 177.904 176.870 0.043 0.000 1.094 166 L CA 1.499 56.372 54.840 0.056 0.000 0.790 166 L CB 0.366 42.477 42.059 0.086 0.000 0.932 166 L HN 0.294 nan 8.230 nan 0.000 0.447 167 V N -3.633 116.309 119.914 0.046 0.000 3.126 167 V HA 0.850 4.970 4.120 -0.000 0.000 0.314 167 V C -0.373 175.725 176.094 0.007 0.000 1.138 167 V CA -0.092 62.217 62.300 0.015 0.000 1.034 167 V CB 1.276 33.148 31.823 0.083 0.000 1.075 167 V HN 0.173 nan 8.190 nan 0.000 0.442 168 S N -0.191 115.477 115.700 -0.054 0.000 2.667 168 S HA 0.716 5.185 4.470 -0.000 0.000 0.292 168 S C -2.507 172.070 174.600 -0.038 0.000 1.126 168 S CA -1.449 56.734 58.200 -0.028 0.000 0.881 168 S CB 1.804 64.979 63.200 -0.042 0.000 1.132 168 S HN 0.542 nan 8.310 nan 0.000 0.492 169 P HA 0.069 nan 4.420 nan 0.000 0.228 169 P C 0.823 178.117 177.300 -0.011 0.000 1.151 169 P CA 0.705 63.838 63.100 0.054 0.000 0.770 169 P CB -0.002 31.730 31.700 0.053 0.000 0.786 170 R N -0.850 119.602 120.500 -0.081 0.000 2.299 170 R HA 0.028 4.368 4.340 -0.000 0.000 0.197 170 R C 0.887 177.056 176.300 -0.217 0.000 0.971 170 R CA 0.631 56.669 56.100 -0.104 0.000 1.030 170 R CB -0.397 29.853 30.300 -0.083 0.000 0.932 170 R HN 0.259 nan 8.270 nan 0.000 0.477 171 D N 0.228 120.372 120.400 -0.427 0.000 2.317 171 D HA 0.006 4.646 4.640 -0.000 0.000 0.211 171 D C -0.088 175.639 176.300 -0.956 0.000 0.966 171 D CA 0.977 54.498 54.000 -0.798 0.000 0.876 171 D CB 0.240 40.354 40.800 -1.142 0.000 0.927 171 D HN 0.031 nan 8.370 nan 0.000 0.519 172 F N 0.746 120.695 119.950 -0.002 0.000 2.588 172 F HA 0.349 4.876 4.527 -0.000 0.000 0.314 172 F C 0.156 175.964 175.800 0.014 0.000 1.069 172 F CA -1.282 56.722 58.000 0.008 0.000 0.931 172 F CB 1.729 40.836 39.000 0.178 0.000 1.260 172 F HN -0.296 nan 8.300 nan 0.000 0.465 173 D N -0.070 120.429 120.400 0.165 0.000 2.664 173 D HA 0.431 5.070 4.640 -0.000 0.000 0.292 173 D C -0.212 176.143 176.300 0.091 0.000 1.214 173 D CA -0.919 53.147 54.000 0.111 0.000 0.932 173 D CB 1.032 41.857 40.800 0.041 0.000 1.420 173 D HN 0.587 nan 8.370 nan 0.000 0.471 174 A N -0.300 122.568 122.820 0.080 0.000 2.142 174 A HA 0.347 4.667 4.320 -0.000 0.000 0.208 174 A C 1.573 179.154 177.584 -0.006 0.000 1.344 174 A CA 1.203 53.293 52.037 0.088 0.000 1.045 174 A CB -1.492 17.565 19.000 0.094 0.000 0.784 174 A HN 0.663 nan 8.150 nan 0.000 0.509 175 A N -0.055 122.688 122.820 -0.129 0.000 1.824 175 A HA -0.002 4.317 4.320 -0.000 0.000 0.215 175 A C 2.308 179.313 177.584 -0.964 0.000 1.209 175 A CA 2.412 54.236 52.037 -0.355 0.000 0.614 175 A CB -0.876 17.947 19.000 -0.294 0.000 0.852 175 A HN 0.653 nan 8.150 nan 0.000 0.447 176 T N -5.345 108.564 114.554 -1.074 0.000 3.205 176 T HA 0.304 4.654 4.350 -0.000 0.000 0.238 176 T C 1.460 175.558 174.700 -1.003 0.000 0.974 176 T CA 1.067 62.657 62.100 -0.849 0.000 1.246 176 T CB -0.162 68.188 68.868 -0.863 0.000 1.007 176 T HN 0.335 nan 8.240 nan 0.000 0.414 177 Y N 1.077 120.935 120.300 -0.737 0.000 2.524 177 Y HA 0.494 5.043 4.550 -0.000 0.000 0.276 177 Y C 0.034 175.584 175.900 -0.582 0.000 1.155 177 Y CA -1.129 56.612 58.100 -0.599 0.000 1.165 177 Y CB 0.640 38.636 38.460 -0.772 0.000 1.306 177 Y HN 0.218 nan 8.280 nan 0.000 0.522 178 L N -0.551 120.444 121.223 -0.380 0.000 2.303 178 L HA 1.035 5.375 4.340 -0.000 0.000 0.266 178 L C -0.630 176.093 176.870 -0.245 0.000 1.011 178 L CA -2.218 52.498 54.840 -0.206 0.000 0.818 178 L CB 0.956 42.937 42.059 -0.130 0.000 1.326 178 L HN -0.079 nan 8.230 nan 0.000 0.435 179 A N 1.461 124.277 122.820 -0.006 0.000 2.520 179 A HA 0.741 5.061 4.320 -0.000 0.000 0.298 179 A C -1.704 175.982 177.584 0.170 0.000 1.051 179 A CA -0.433 51.645 52.037 0.068 0.000 0.690 179 A CB 1.500 20.601 19.000 0.168 0.000 1.281 179 A HN 0.863 nan 8.150 nan 0.000 0.402 180 L N 2.651 123.953 121.223 0.132 0.000 2.262 180 L HA 0.701 5.041 4.340 -0.000 0.000 0.288 180 L C -1.252 175.724 176.870 0.177 0.000 1.035 180 L CA -0.405 54.514 54.840 0.132 0.000 0.820 180 L CB 0.594 42.696 42.059 0.070 0.000 1.204 180 L HN 0.564 nan 8.230 nan 0.000 0.424 181 I N 5.323 126.026 120.570 0.222 0.000 2.412 181 I HA 0.426 4.596 4.170 -0.000 0.000 0.296 181 I C -0.110 176.156 176.117 0.248 0.000 0.987 181 I CA -0.131 61.309 61.300 0.232 0.000 1.180 181 I CB 1.403 39.556 38.000 0.255 0.000 1.340 181 I HN 0.641 nan 8.210 nan 0.000 0.455 182 N N 5.305 124.165 118.700 0.267 0.000 2.607 182 N HA 0.637 5.377 4.740 -0.000 0.000 0.271 182 N C -1.712 173.992 175.510 0.323 0.000 1.142 182 N CA -0.246 52.994 53.050 0.316 0.000 0.810 182 N CB 1.225 39.903 38.487 0.318 0.000 1.306 182 N HN 0.643 nan 8.380 nan 0.000 0.536 183 A N 2.768 125.752 122.820 0.274 0.000 2.343 183 A HA 0.707 5.027 4.320 -0.000 0.000 0.316 183 A C -0.761 176.961 177.584 0.230 0.000 1.104 183 A CA -0.434 51.712 52.037 0.182 0.000 0.768 183 A CB 1.441 20.539 19.000 0.164 0.000 1.213 183 A HN 0.275 nan 8.150 nan 0.000 0.456 184 V N 1.925 121.997 119.914 0.263 0.000 2.823 184 V HA 0.515 4.635 4.120 -0.000 0.000 0.312 184 V C -1.115 175.242 176.094 0.438 0.000 1.072 184 V CA -0.563 61.967 62.300 0.383 0.000 0.937 184 V CB 1.825 33.956 31.823 0.513 0.000 1.013 184 V HN 0.861 nan 8.190 nan 0.000 0.430 185 Y N 4.174 124.647 120.300 0.289 0.000 2.391 185 Y HA 0.741 5.290 4.550 -0.000 0.000 0.341 185 Y C -1.531 174.546 175.900 0.294 0.000 0.965 185 Y CA -1.214 57.036 58.100 0.250 0.000 1.067 185 Y CB 1.858 40.369 38.460 0.086 0.000 1.199 185 Y HN 0.601 nan 8.280 nan 0.000 0.450 186 F N 7.373 126.872 119.950 -0.751 0.000 2.547 186 F HA 0.658 5.185 4.527 -0.000 0.000 0.316 186 F C -1.653 173.627 175.800 -0.866 0.000 1.121 186 F CA -0.603 57.018 58.000 -0.632 0.000 0.911 186 F CB 1.245 39.935 39.000 -0.516 0.000 1.179 186 F HN 0.448 nan 8.300 nan 0.000 0.443 187 K N 4.310 123.948 120.400 -1.270 0.000 2.571 187 K HA 0.567 4.887 4.320 -0.000 0.000 0.252 187 K C -1.479 174.523 176.600 -0.996 0.000 0.956 187 K CA -0.348 55.358 56.287 -0.967 0.000 0.822 187 K CB 1.638 33.881 32.500 -0.428 0.000 1.286 187 K HN 0.952 nan 8.250 nan 0.000 0.439 188 G N 1.859 110.051 108.800 -1.013 0.000 3.015 188 G HA2 0.449 4.408 3.960 -0.000 0.000 0.281 188 G HA3 0.449 4.408 3.960 -0.000 0.000 0.281 188 G C -1.203 173.502 174.900 -0.325 0.000 1.386 188 G CA -0.632 44.079 45.100 -0.648 0.000 0.959 188 G HN 0.506 nan 8.290 nan 0.000 0.522 189 N N -0.187 118.472 118.700 -0.069 0.000 2.421 189 N HA 0.270 5.010 4.740 -0.000 0.000 0.285 189 N C -0.457 175.180 175.510 0.211 0.000 1.027 189 N CA -0.364 52.692 53.050 0.010 0.000 0.918 189 N CB 1.202 39.719 38.487 0.051 0.000 1.152 189 N HN 0.543 nan 8.380 nan 0.000 0.485 190 W N 1.099 122.567 121.300 0.280 0.000 2.187 190 W HA 0.028 4.688 4.660 -0.000 0.000 0.348 190 W C 1.851 178.452 176.519 0.138 0.000 1.282 190 W CA -0.432 57.013 57.345 0.165 0.000 1.271 190 W CB 1.028 30.599 29.460 0.184 0.000 1.170 190 W HN 0.485 nan 8.180 nan 0.000 0.583 191 K N 0.644 121.279 120.400 0.391 0.000 2.243 191 K HA -0.066 4.253 4.320 -0.000 0.000 0.201 191 K C 0.631 177.308 176.600 0.129 0.000 1.051 191 K CA 0.821 57.244 56.287 0.226 0.000 0.970 191 K CB 0.117 32.734 32.500 0.195 0.000 0.755 191 K HN 0.260 nan 8.250 nan 0.000 0.465 192 S N 1.425 117.182 115.700 0.095 0.000 2.406 192 S HA 0.204 4.673 4.470 -0.000 0.000 0.224 192 S C -1.046 173.517 174.600 -0.062 0.000 1.426 192 S CA -0.751 57.414 58.200 -0.057 0.000 1.179 192 S CB 0.701 63.754 63.200 -0.245 0.000 1.042 192 S HN 0.188 nan 8.310 nan 0.000 0.479 193 Q N 2.651 122.485 119.800 0.057 0.000 2.337 193 Q HA 0.230 4.569 4.340 -0.000 0.000 0.270 193 Q C -0.645 175.383 176.000 0.047 0.000 1.002 193 Q CA 0.251 56.161 55.803 0.179 0.000 0.888 193 Q CB 0.526 29.391 28.738 0.212 0.000 1.222 193 Q HN 0.642 nan 8.270 nan 0.000 0.400 194 F N 1.687 121.668 119.950 0.051 0.000 2.538 194 F HA 0.089 4.616 4.527 -0.000 0.000 0.371 194 F C 0.870 176.688 175.800 0.030 0.000 1.087 194 F CA 0.079 58.071 58.000 -0.014 0.000 1.250 194 F CB 0.477 39.457 39.000 -0.034 0.000 1.110 194 F HN 0.282 nan 8.300 nan 0.000 0.570 195 R N 4.847 125.443 120.500 0.159 0.000 2.221 195 R HA 0.190 4.529 4.340 -0.000 0.000 0.327 195 R C -1.701 174.681 176.300 0.136 0.000 1.033 195 R CA -1.470 54.704 56.100 0.123 0.000 0.887 195 R CB 0.739 31.081 30.300 0.070 0.000 1.057 195 R HN 0.296 nan 8.270 nan 0.000 0.455 196 P HA -0.185 nan 4.420 nan 0.000 0.218 196 P C -0.025 177.331 177.300 0.093 0.000 1.146 196 P CA 1.201 64.362 63.100 0.101 0.000 0.813 196 P CB 0.287 32.034 31.700 0.079 0.000 0.778 197 E N -1.228 119.023 120.200 0.085 0.000 2.463 197 E HA -0.122 4.228 4.350 -0.000 0.000 0.201 197 E C 1.445 178.098 176.600 0.088 0.000 1.045 197 E CA 0.591 57.036 56.400 0.075 0.000 0.872 197 E CB -0.465 29.273 29.700 0.062 0.000 0.797 197 E HN 0.275 nan 8.360 nan 0.000 0.538 198 N N -0.523 118.248 118.700 0.118 0.000 2.332 198 N HA 0.016 4.756 4.740 -0.000 0.000 0.190 198 N C -0.217 175.384 175.510 0.152 0.000 1.117 198 N CA 0.291 53.430 53.050 0.149 0.000 0.883 198 N CB 0.630 39.261 38.487 0.239 0.000 1.089 198 N HN -0.045 nan 8.380 nan 0.000 0.480 199 T N 2.495 117.133 114.554 0.141 0.000 2.866 199 T HA 0.109 4.459 4.350 -0.000 0.000 0.293 199 T C 0.430 175.206 174.700 0.126 0.000 1.005 199 T CA 0.672 62.843 62.100 0.119 0.000 1.162 199 T CB 0.498 69.418 68.868 0.087 0.000 0.968 199 T HN 0.074 nan 8.240 nan 0.000 0.530 200 R N 1.389 121.990 120.500 0.168 0.000 2.799 200 R HA 0.373 4.713 4.340 -0.000 0.000 0.270 200 R C -0.553 175.918 176.300 0.285 0.000 1.010 200 R CA -0.955 55.268 56.100 0.205 0.000 0.916 200 R CB 1.431 31.863 30.300 0.220 0.000 1.228 200 R HN 0.451 nan 8.270 nan 0.000 0.469 201 T N 1.802 116.491 114.554 0.225 0.000 2.888 201 T HA 0.258 4.608 4.350 -0.000 0.000 0.301 201 T C -0.710 174.184 174.700 0.323 0.000 1.001 201 T CA 0.635 62.871 62.100 0.226 0.000 1.147 201 T CB -0.030 68.913 68.868 0.125 0.000 0.931 201 T HN 0.151 nan 8.240 nan 0.000 0.541 202 F N 0.937 120.944 119.950 0.094 0.000 2.577 202 F HA 0.420 4.947 4.527 -0.000 0.000 0.318 202 F C 0.434 176.302 175.800 0.113 0.000 1.065 202 F CA -1.018 57.043 58.000 0.101 0.000 0.929 202 F CB 2.123 41.203 39.000 0.133 0.000 1.237 202 F HN 0.344 nan 8.300 nan 0.000 0.468 203 S N 3.420 119.214 115.700 0.155 0.000 2.399 203 S HA 0.272 4.742 4.470 -0.000 0.000 0.301 203 S C -0.766 173.990 174.600 0.259 0.000 1.093 203 S CA -0.348 57.950 58.200 0.164 0.000 1.077 203 S CB -0.368 62.861 63.200 0.049 0.000 0.980 203 S HN 0.421 nan 8.310 nan 0.000 0.494 204 F N 4.213 124.253 119.950 0.150 0.000 2.413 204 F HA 0.258 4.785 4.527 -0.000 0.000 0.359 204 F C 0.623 176.486 175.800 0.106 0.000 1.122 204 F CA -0.363 57.725 58.000 0.147 0.000 1.160 204 F CB 0.420 39.499 39.000 0.131 0.000 1.146 204 F HN 0.286 nan 8.300 nan 0.000 0.514 205 T N 7.149 121.618 114.554 -0.142 0.000 2.779 205 T HA 0.125 4.475 4.350 -0.000 0.000 0.296 205 T C 0.395 175.017 174.700 -0.130 0.000 0.938 205 T CA -0.364 61.684 62.100 -0.088 0.000 1.119 205 T CB 0.413 69.214 68.868 -0.112 0.000 0.891 205 T HN 0.581 nan 8.240 nan 0.000 0.526 206 K N 1.711 122.156 120.400 0.075 0.000 2.273 206 K HA 0.074 4.393 4.320 -0.000 0.000 0.240 206 K C 1.341 177.952 176.600 0.018 0.000 1.056 206 K CA -0.573 55.782 56.287 0.114 0.000 0.910 206 K CB 0.292 32.869 32.500 0.127 0.000 1.196 206 K HN 0.516 nan 8.250 nan 0.000 0.509 207 D N 0.722 121.126 120.400 0.007 0.000 2.269 207 D HA -0.139 4.501 4.640 -0.000 0.000 0.208 207 D C 0.738 177.038 176.300 -0.000 0.000 0.963 207 D CA 1.156 55.153 54.000 -0.005 0.000 0.864 207 D CB 0.059 40.851 40.800 -0.014 0.000 0.936 207 D HN 0.508 nan 8.370 nan 0.000 0.505 208 D N -0.150 120.259 120.400 0.015 0.000 2.358 208 D HA -0.014 4.625 4.640 -0.000 0.000 0.224 208 D C 0.012 176.318 176.300 0.010 0.000 1.123 208 D CA -0.001 54.009 54.000 0.016 0.000 0.833 208 D CB -0.516 40.304 40.800 0.033 0.000 0.946 208 D HN 0.388 nan 8.370 nan 0.000 0.505 209 E N -0.640 119.561 120.200 0.001 0.000 3.413 209 E HA -0.203 4.147 4.350 -0.000 0.000 0.300 209 E C -0.124 176.483 176.600 0.012 0.000 0.891 209 E CA 0.764 57.159 56.400 -0.009 0.000 1.050 209 E CB -1.996 27.692 29.700 -0.021 0.000 1.534 209 E HN 0.559 nan 8.360 nan 0.000 0.436 210 S N 0.367 116.089 115.700 0.037 0.000 2.655 210 S HA 0.477 4.947 4.470 -0.000 0.000 0.265 210 S C 0.070 174.718 174.600 0.080 0.000 1.240 210 S CA -0.578 57.655 58.200 0.056 0.000 0.986 210 S CB 1.659 64.903 63.200 0.072 0.000 0.985 210 S HN 0.215 nan 8.310 nan 0.000 0.562 211 E N -0.346 119.909 120.200 0.092 0.000 2.314 211 E HA 0.588 4.938 4.350 -0.000 0.000 0.272 211 E C -1.368 175.316 176.600 0.140 0.000 0.884 211 E CA -1.153 55.323 56.400 0.127 0.000 0.753 211 E CB 2.177 31.929 29.700 0.087 0.000 1.213 211 E HN 0.666 nan 8.360 nan 0.000 0.432 212 V N -0.739 119.289 119.914 0.190 0.000 2.638 212 V HA 0.387 4.507 4.120 -0.000 0.000 0.306 212 V C -0.615 175.573 176.094 0.157 0.000 1.052 212 V CA -1.200 61.188 62.300 0.146 0.000 0.885 212 V CB 1.791 33.689 31.823 0.124 0.000 0.999 212 V HN 0.521 nan 8.190 nan 0.000 0.424 213 Q N 4.139 124.011 119.800 0.120 0.000 2.311 213 Q HA 0.555 4.894 4.340 -0.000 0.000 0.272 213 Q C -0.447 175.626 176.000 0.122 0.000 1.012 213 Q CA 0.230 56.111 55.803 0.130 0.000 0.891 213 Q CB 1.290 30.085 28.738 0.096 0.000 1.201 213 Q HN 0.938 nan 8.270 nan 0.000 0.391 214 I N -1.161 119.504 120.570 0.158 0.000 2.969 214 I HA 0.533 4.703 4.170 -0.000 0.000 0.307 214 I C -2.765 173.440 176.117 0.147 0.000 1.149 214 I CA -3.187 58.183 61.300 0.117 0.000 1.008 214 I CB 1.575 39.610 38.000 0.059 0.000 1.232 214 I HN 0.201 nan 8.210 nan 0.000 0.435 215 P HA 0.238 nan 4.420 nan 0.000 0.266 215 P C -0.795 176.549 177.300 0.074 0.000 1.215 215 P CA 0.131 63.289 63.100 0.097 0.000 0.763 215 P CB 0.346 32.083 31.700 0.061 0.000 0.806 216 M N 5.571 125.216 119.600 0.075 0.000 2.036 216 M HA 0.309 4.789 4.480 -0.000 0.000 0.337 216 M C -0.548 175.725 176.300 -0.045 0.000 1.012 216 M CA -0.457 54.806 55.300 -0.062 0.000 0.962 216 M CB 0.063 32.447 32.600 -0.361 0.000 1.423 216 M HN 0.225 nan 8.290 nan 0.000 0.405 217 M N 3.664 123.205 119.600 -0.099 0.000 2.250 217 M HA 0.173 4.653 4.480 -0.000 0.000 0.325 217 M C -0.877 175.453 176.300 0.049 0.000 1.084 217 M CA 0.421 55.669 55.300 -0.088 0.000 1.161 217 M CB 0.321 32.634 32.600 -0.478 0.000 1.481 217 M HN 0.682 nan 8.290 nan 0.000 0.449 218 Y N 1.742 122.093 120.300 0.085 0.000 2.513 218 Y HA 0.512 5.062 4.550 -0.000 0.000 0.340 218 Y C -1.280 174.604 175.900 -0.027 0.000 1.055 218 Y CA -0.639 57.405 58.100 -0.093 0.000 1.020 218 Y CB 1.633 39.866 38.460 -0.379 0.000 1.301 218 Y HN 0.773 nan 8.280 nan 0.000 0.453 219 Q N 3.427 122.461 119.800 -1.277 0.000 2.776 219 Q HA 0.337 4.677 4.340 -0.000 0.000 0.289 219 Q C -2.303 173.123 176.000 -0.956 0.000 0.912 219 Q CA -1.163 53.996 55.803 -1.074 0.000 0.789 219 Q CB 1.879 30.147 28.738 -0.783 0.000 1.498 219 Q HN 0.719 nan 8.270 nan 0.000 0.408 220 Q N 0.519 119.978 119.800 -0.568 0.000 2.394 220 Q HA 0.670 5.009 4.340 -0.000 0.000 0.261 220 Q C -1.264 174.578 176.000 -0.264 0.000 1.023 220 Q CA -0.213 55.406 55.803 -0.307 0.000 0.720 220 Q CB 1.465 30.088 28.738 -0.191 0.000 1.241 220 Q HN 0.851 nan 8.270 nan 0.000 0.483 221 G N 1.863 110.501 108.800 -0.270 0.000 2.827 221 G HA2 0.347 4.307 3.960 -0.000 0.000 0.296 221 G HA3 0.347 4.307 3.960 -0.000 0.000 0.296 221 G C -1.254 173.135 174.900 -0.852 0.000 1.362 221 G CA -0.692 44.040 45.100 -0.614 0.000 0.809 221 G HN 0.493 nan 8.290 nan 0.000 0.522 222 E N -0.064 119.576 120.200 -0.934 0.000 2.289 222 E HA 0.538 4.888 4.350 -0.000 0.000 0.278 222 E C -1.236 174.694 176.600 -1.117 0.000 1.032 222 E CA 0.191 56.139 56.400 -0.754 0.000 0.854 222 E CB 1.480 30.889 29.700 -0.486 0.000 1.046 222 E HN 0.230 nan 8.360 nan 0.000 0.409 223 F N 0.223 120.022 119.950 -0.251 0.000 2.869 223 F HA 0.370 4.896 4.527 -0.000 0.000 0.325 223 F C -0.816 174.804 175.800 -0.301 0.000 1.184 223 F CA -1.034 56.858 58.000 -0.181 0.000 0.951 223 F CB 0.902 39.850 39.000 -0.088 0.000 1.421 223 F HN 0.269 nan 8.300 nan 0.000 0.501 224 Y N 0.203 120.671 120.300 0.279 0.000 2.360 224 Y HA 0.559 5.109 4.550 -0.000 0.000 0.337 224 Y C -1.037 175.003 175.900 0.234 0.000 1.039 224 Y CA -0.827 57.381 58.100 0.180 0.000 1.109 224 Y CB 1.629 40.162 38.460 0.122 0.000 1.201 224 Y HN 0.442 nan 8.280 nan 0.000 0.458 225 Y N 0.970 121.347 120.300 0.128 0.000 2.513 225 Y HA 0.743 5.293 4.550 -0.000 0.000 0.340 225 Y C -0.817 175.104 175.900 0.035 0.000 1.055 225 Y CA -1.088 57.061 58.100 0.083 0.000 1.020 225 Y CB 2.203 40.706 38.460 0.073 0.000 1.301 225 Y HN 0.681 nan 8.280 nan 0.000 0.453 226 G N 4.214 112.640 108.800 -0.623 0.000 2.719 226 G HA2 0.549 4.509 3.960 -0.000 0.000 0.298 226 G HA3 0.549 4.509 3.960 -0.000 0.000 0.298 226 G C -1.983 172.626 174.900 -0.486 0.000 1.411 226 G CA -0.937 43.909 45.100 -0.424 0.000 0.991 226 G HN 0.556 nan 8.290 nan 0.000 0.509 227 E N 0.106 120.176 120.200 -0.216 0.000 2.207 227 E HA 0.705 5.055 4.350 -0.000 0.000 0.270 227 E C -1.094 175.613 176.600 0.178 0.000 0.927 227 E CA -0.722 55.656 56.400 -0.037 0.000 0.799 227 E CB 2.570 32.272 29.700 0.002 0.000 1.172 227 E HN 0.534 nan 8.360 nan 0.000 0.404 228 F N -1.665 118.279 119.950 -0.009 0.000 2.686 228 F HA 0.693 5.220 4.527 -0.000 0.000 0.311 228 F C -1.071 174.776 175.800 0.078 0.000 1.128 228 F CA -0.849 57.147 58.000 -0.007 0.000 0.946 228 F CB 1.354 40.306 39.000 -0.080 0.000 1.336 228 F HN 0.229 nan 8.300 nan 0.000 0.457 229 S N 0.444 116.191 115.700 0.078 0.000 2.638 229 S HA 0.698 5.168 4.470 -0.000 0.000 0.302 229 S C -1.960 172.693 174.600 0.088 0.000 1.096 229 S CA -0.600 57.617 58.200 0.027 0.000 0.953 229 S CB 2.000 65.230 63.200 0.049 0.000 1.107 229 S HN 0.851 nan 8.310 nan 0.000 0.503 230 D N -0.443 120.012 120.400 0.092 0.000 2.836 230 D HA 0.450 5.090 4.640 -0.000 0.000 0.215 230 D C 0.156 176.512 176.300 0.093 0.000 1.255 230 D CA -0.283 53.790 54.000 0.121 0.000 0.822 230 D CB 1.013 41.936 40.800 0.205 0.000 1.656 230 D HN 0.639 nan 8.370 nan 0.000 0.511 231 G N 0.525 109.370 108.800 0.075 0.000 2.771 231 G HA2 0.385 4.345 3.960 -0.000 0.000 0.242 231 G HA3 0.385 4.345 3.960 -0.000 0.000 0.242 231 G C 0.587 175.522 174.900 0.058 0.000 1.233 231 G CA 0.784 45.916 45.100 0.054 0.000 0.858 231 G HN 1.281 nan 8.290 nan 0.000 0.591 232 S N -0.862 114.860 115.700 0.037 0.000 2.185 232 S HA -0.169 4.301 4.470 -0.000 0.000 0.255 232 S C 0.464 175.069 174.600 0.009 0.000 1.434 232 S CA 0.824 59.042 58.200 0.030 0.000 1.085 232 S CB -2.075 61.157 63.200 0.054 0.000 1.388 232 S HN 1.723 nan 8.310 nan 0.000 0.688 238 I N 1.394 121.775 120.570 -0.316 0.000 2.610 238 I HA 0.783 4.952 4.170 -0.000 0.000 0.289 238 I C -1.839 174.048 176.117 -0.383 0.000 1.163 238 I CA -0.885 60.297 61.300 -0.196 0.000 1.044 238 I CB 1.443 39.374 38.000 -0.114 0.000 1.251 238 I HN 0.481 nan 8.210 nan 0.000 0.424 239 Y N 4.617 124.636 120.300 -0.468 0.000 2.570 239 Y HA 0.672 5.222 4.550 -0.000 0.000 0.345 239 Y C -0.533 175.252 175.900 -0.192 0.000 1.014 239 Y CA -1.027 56.866 58.100 -0.345 0.000 1.063 239 Y CB 1.514 39.655 38.460 -0.532 0.000 1.272 239 Y HN 0.432 nan 8.280 nan 0.000 0.477 240 Q N 0.882 120.753 119.800 0.118 0.000 2.309 240 Q HA 0.717 5.057 4.340 -0.000 0.000 0.264 240 Q C -1.393 174.680 176.000 0.121 0.000 1.008 240 Q CA -1.135 54.695 55.803 0.046 0.000 0.853 240 Q CB 2.937 31.766 28.738 0.152 0.000 1.314 240 Q HN 0.404 nan 8.270 nan 0.000 0.448 241 V N 3.235 123.146 119.914 -0.004 0.000 2.384 241 V HA 0.348 4.468 4.120 -0.000 0.000 0.287 241 V C -0.997 175.166 176.094 0.114 0.000 1.020 241 V CA -0.680 61.699 62.300 0.133 0.000 0.850 241 V CB 1.492 33.415 31.823 0.167 0.000 0.987 241 V HN 0.556 nan 8.190 nan 0.000 0.436 242 L N 5.077 126.421 121.223 0.202 0.000 2.316 242 L HA 0.600 4.940 4.340 -0.000 0.000 0.280 242 L C -0.290 176.695 176.870 0.192 0.000 1.006 242 L CA 0.197 55.163 54.840 0.210 0.000 0.836 242 L CB 1.459 43.580 42.059 0.103 0.000 1.221 242 L HN 0.727 nan 8.230 nan 0.000 0.418 243 E N 5.421 125.787 120.200 0.276 0.000 2.166 243 E HA 0.503 4.853 4.350 -0.000 0.000 0.275 243 E C -1.295 175.500 176.600 0.326 0.000 0.941 243 E CA -0.564 56.022 56.400 0.309 0.000 0.784 243 E CB 1.202 31.137 29.700 0.390 0.000 1.115 243 E HN 0.648 nan 8.360 nan 0.000 0.399 244 I N 6.210 126.919 120.570 0.231 0.000 2.448 244 I HA 0.302 4.472 4.170 -0.000 0.000 0.281 244 I C -2.396 173.861 176.117 0.234 0.000 1.027 244 I CA -2.425 58.995 61.300 0.200 0.000 1.111 244 I CB 1.601 39.507 38.000 -0.157 0.000 1.236 244 I HN 0.269 nan 8.210 nan 0.000 0.452 245 P HA 0.200 nan 4.420 nan 0.000 0.275 245 P C -1.034 176.412 177.300 0.242 0.000 1.227 245 P CA 0.063 63.321 63.100 0.263 0.000 0.781 245 P CB 0.449 32.321 31.700 0.288 0.000 0.906 246 Y N -0.324 120.193 120.300 0.361 0.000 2.340 246 Y HA 0.237 4.786 4.550 -0.000 0.000 0.327 246 Y C 1.562 177.601 175.900 0.232 0.000 1.321 246 Y CA -0.341 57.928 58.100 0.282 0.000 1.433 246 Y CB 0.236 38.810 38.460 0.190 0.000 1.373 246 Y HN 0.377 nan 8.280 nan 0.000 0.538 247 E N -0.332 120.093 120.200 0.376 0.000 2.422 247 E HA 0.277 4.627 4.350 -0.000 0.000 0.260 247 E C 0.889 177.639 176.600 0.250 0.000 1.108 247 E CA 1.337 57.889 56.400 0.254 0.000 0.943 247 E CB 0.110 29.922 29.700 0.187 0.000 0.961 247 E HN 0.784 nan 8.360 nan 0.000 0.443 248 G N 2.477 111.388 108.800 0.186 0.000 2.234 248 G HA2 -0.363 3.596 3.960 -0.000 0.000 0.260 248 G HA3 -0.363 3.596 3.960 -0.000 0.000 0.260 248 G C 0.434 175.435 174.900 0.169 0.000 0.987 248 G CA 0.443 45.645 45.100 0.170 0.000 0.625 248 G HN 0.826 nan 8.290 nan 0.000 0.532 249 D N -0.877 119.638 120.400 0.192 0.000 3.006 249 D HA -0.183 4.457 4.640 -0.000 0.000 0.208 249 D C 1.240 177.637 176.300 0.163 0.000 1.116 249 D CA 1.606 55.713 54.000 0.177 0.000 0.998 249 D CB -0.930 39.956 40.800 0.142 0.000 1.124 249 D HN 0.648 nan 8.370 nan 0.000 0.413 250 E N -0.418 119.889 120.200 0.177 0.000 2.107 250 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 250 E C 1.168 177.848 176.600 0.134 0.000 0.982 250 E CA 0.690 57.182 56.400 0.153 0.000 0.809 250 E CB 0.440 30.250 29.700 0.184 0.000 0.756 250 E HN 0.389 nan 8.360 nan 0.000 0.459 251 I N 0.043 120.716 120.570 0.172 0.000 2.910 251 I HA 0.222 4.391 4.170 -0.000 0.000 0.310 251 I C 0.313 176.642 176.117 0.354 0.000 1.043 251 I CA -0.660 60.751 61.300 0.185 0.000 1.053 251 I CB 1.693 39.714 38.000 0.034 0.000 1.242 251 I HN -0.142 nan 8.210 nan 0.000 0.452 252 S N 3.400 119.302 115.700 0.337 0.000 2.588 252 S HA 0.645 5.115 4.470 -0.000 0.000 0.269 252 S C -0.942 173.842 174.600 0.306 0.000 1.157 252 S CA -0.904 57.478 58.200 0.304 0.000 0.824 252 S CB 2.281 65.613 63.200 0.219 0.000 1.126 252 S HN 0.623 nan 8.310 nan 0.000 0.464 253 M N 2.722 122.481 119.600 0.265 0.000 2.238 253 M HA 0.560 5.040 4.480 -0.000 0.000 0.350 253 M C -1.162 175.284 176.300 0.243 0.000 1.138 253 M CA -0.625 54.852 55.300 0.296 0.000 1.040 253 M CB 1.429 34.239 32.600 0.350 0.000 1.639 253 M HN 0.914 nan 8.290 nan 0.000 0.451 254 M N 6.517 126.262 119.600 0.241 0.000 2.066 254 M HA 0.420 4.899 4.480 -0.000 0.000 0.340 254 M C -2.045 174.420 176.300 0.274 0.000 1.053 254 M CA -0.655 54.794 55.300 0.249 0.000 0.983 254 M CB 0.751 33.493 32.600 0.237 0.000 1.520 254 M HN 0.756 nan 8.290 nan 0.000 0.428 255 L N 5.545 126.920 121.223 0.254 0.000 2.292 255 L HA 0.481 4.821 4.340 -0.000 0.000 0.284 255 L C -0.717 176.353 176.870 0.333 0.000 1.065 255 L CA -0.706 54.299 54.840 0.275 0.000 0.806 255 L CB 1.514 43.648 42.059 0.126 0.000 1.175 255 L HN 0.412 nan 8.230 nan 0.000 0.431 256 V N 4.969 125.155 119.914 0.454 0.000 2.350 256 V HA 0.364 4.484 4.120 -0.000 0.000 0.285 256 V C -0.375 175.938 176.094 0.363 0.000 1.014 256 V CA -0.450 62.105 62.300 0.426 0.000 0.831 256 V CB 1.727 33.827 31.823 0.462 0.000 1.000 256 V HN 0.403 nan 8.190 nan 0.000 0.433 257 L N 4.773 126.152 121.223 0.259 0.000 2.329 257 L HA 0.865 5.205 4.340 -0.000 0.000 0.279 257 L C -0.037 176.897 176.870 0.107 0.000 1.014 257 L CA 0.782 55.725 54.840 0.172 0.000 0.814 257 L CB 1.973 44.087 42.059 0.092 0.000 1.257 257 L HN 0.709 nan 8.230 nan 0.000 0.424 258 S N 2.875 118.626 115.700 0.085 0.000 2.794 258 S HA 0.590 5.059 4.470 -0.000 0.000 0.299 258 S C 0.735 175.346 174.600 0.018 0.000 1.179 258 S CA -0.534 57.610 58.200 -0.093 0.000 0.838 258 S CB 1.314 64.300 63.200 -0.356 0.000 1.206 258 S HN 0.697 nan 8.310 nan 0.000 0.523 259 R N 0.090 120.511 120.500 -0.131 0.000 2.100 259 R HA 0.237 4.577 4.340 -0.000 0.000 0.220 259 R C 0.931 177.155 176.300 -0.127 0.000 1.091 259 R CA 0.372 56.382 56.100 -0.151 0.000 0.986 259 R CB -0.328 29.871 30.300 -0.167 0.000 0.888 259 R HN 0.448 nan 8.270 nan 0.000 0.444 260 Q N 0.532 120.258 119.800 -0.124 0.000 2.239 260 Q HA 0.087 4.427 4.340 -0.000 0.000 0.193 260 Q C 0.807 176.795 176.000 -0.020 0.000 1.004 260 Q CA -0.213 55.545 55.803 -0.076 0.000 1.040 260 Q CB 1.140 29.826 28.738 -0.087 0.000 1.149 260 Q HN 0.001 nan 8.270 nan 0.000 0.535 261 E N -0.866 119.340 120.200 0.011 0.000 2.021 261 E HA -0.113 4.237 4.350 -0.000 0.000 0.200 261 E C -0.447 176.204 176.600 0.085 0.000 1.015 261 E CA 1.964 58.400 56.400 0.061 0.000 0.824 261 E CB 0.217 29.954 29.700 0.061 0.000 0.762 261 E HN 0.280 nan 8.360 nan 0.000 0.454 262 V N -0.695 119.268 119.914 0.082 0.000 5.733 262 V HA -0.110 4.010 4.120 -0.000 0.000 0.428 262 V C -2.332 173.864 176.094 0.169 0.000 1.352 262 V CA -0.046 62.359 62.300 0.174 0.000 2.338 262 V CB -1.200 30.723 31.823 0.167 0.000 0.121 262 V HN 0.280 nan 8.190 nan 0.000 0.480 263 P HA -0.236 nan 4.420 nan 0.000 0.297 263 P C 0.941 178.285 177.300 0.072 0.000 1.931 263 P CA 2.161 65.325 63.100 0.105 0.000 1.738 263 P CB 0.058 31.842 31.700 0.141 0.000 0.295 264 L N -4.712 116.539 121.223 0.048 0.000 1.998 264 L HA 0.208 4.547 4.340 -0.000 0.000 0.194 264 L C 2.198 179.064 176.870 -0.006 0.000 1.198 264 L CA 0.565 55.416 54.840 0.019 0.000 1.134 264 L CB -1.259 40.824 42.059 0.040 0.000 2.366 264 L HN 0.304 nan 8.230 nan 0.000 0.504 265 A N 0.688 123.513 122.820 0.008 0.000 1.908 265 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 265 A C 2.172 179.747 177.584 -0.014 0.000 1.181 265 A CA 2.749 54.784 52.037 -0.004 0.000 0.627 265 A CB -1.040 17.965 19.000 0.008 0.000 0.818 265 A HN 0.432 nan 8.150 nan 0.000 0.445 266 T N 0.254 114.815 114.554 0.012 0.000 2.699 266 T HA -0.166 4.183 4.350 -0.000 0.000 0.268 266 T C 1.781 176.452 174.700 -0.049 0.000 1.036 266 T CA 1.454 63.558 62.100 0.007 0.000 1.147 266 T CB -0.306 68.609 68.868 0.079 0.000 0.862 266 T HN 0.272 nan 8.240 nan 0.000 0.446 267 L N 1.398 122.581 121.223 -0.065 0.000 1.961 267 L HA -0.002 4.338 4.340 -0.000 0.000 0.209 267 L C 2.391 179.167 176.870 -0.158 0.000 1.075 267 L CA 1.810 56.553 54.840 -0.161 0.000 0.749 267 L CB -1.382 40.551 42.059 -0.210 0.000 0.890 267 L HN 0.279 nan 8.230 nan 0.000 0.433 268 E N -0.044 120.089 120.200 -0.111 0.000 2.082 268 E HA -0.278 4.072 4.350 -0.000 0.000 0.215 268 E C -0.011 176.529 176.600 -0.100 0.000 1.048 268 E CA 2.360 58.704 56.400 -0.094 0.000 0.869 268 E CB -1.558 28.107 29.700 -0.059 0.000 0.773 268 E HN 0.413 nan 8.360 nan 0.000 0.466 269 P HA -0.238 nan 4.420 nan 0.000 0.214 269 P C 1.742 178.971 177.300 -0.119 0.000 1.164 269 P CA 1.370 64.411 63.100 -0.098 0.000 0.942 269 P CB -0.255 31.379 31.700 -0.111 0.000 0.791 270 L N -0.986 120.147 121.223 -0.150 0.000 1.987 270 L HA -0.286 4.053 4.340 -0.000 0.000 0.230 270 L C 2.481 179.258 176.870 -0.156 0.000 1.089 270 L CA 2.008 56.772 54.840 -0.127 0.000 0.802 270 L CB -1.324 40.666 42.059 -0.115 0.000 0.905 270 L HN -0.112 nan 8.230 nan 0.000 0.441 271 V N -0.436 119.380 119.914 -0.163 0.000 2.278 271 V HA -0.372 3.747 4.120 -0.000 0.000 0.251 271 V C 2.541 178.510 176.094 -0.208 0.000 1.062 271 V CA 2.234 64.424 62.300 -0.184 0.000 1.038 271 V CB -0.386 31.355 31.823 -0.138 0.000 0.646 271 V HN 0.396 nan 8.190 nan 0.000 0.447 272 K N -0.149 120.162 120.400 -0.149 0.000 2.057 272 K HA -0.016 4.303 4.320 -0.000 0.000 0.206 272 K C 2.156 178.681 176.600 -0.126 0.000 1.050 272 K CA 1.394 57.608 56.287 -0.123 0.000 0.935 272 K CB -0.815 31.636 32.500 -0.081 0.000 0.715 272 K HN 0.488 nan 8.250 nan 0.000 0.439 273 A N 1.101 123.860 122.820 -0.102 0.000 1.948 273 A HA -0.270 4.049 4.320 -0.000 0.000 0.220 273 A C 1.898 179.434 177.584 -0.079 0.000 1.177 273 A CA 2.146 54.190 52.037 0.011 0.000 0.636 273 A CB -0.709 18.406 19.000 0.192 0.000 0.815 273 A HN 0.504 nan 8.150 nan 0.000 0.449 274 Q N -0.145 119.327 119.800 -0.547 0.000 2.482 274 Q HA 0.284 4.624 4.340 -0.000 0.000 0.209 274 Q C 1.245 176.938 176.000 -0.511 0.000 0.961 274 Q CA 0.864 56.024 55.803 -1.073 0.000 0.945 274 Q CB -0.613 27.116 28.738 -1.681 0.000 1.012 274 Q HN 0.626 nan 8.270 nan 0.000 0.515 275 L N -0.495 120.573 121.223 -0.257 0.000 2.130 275 L HA 0.082 4.422 4.340 -0.000 0.000 0.200 275 L C 0.877 177.709 176.870 -0.064 0.000 1.075 275 L CA 0.140 54.895 54.840 -0.142 0.000 0.768 275 L CB -0.112 41.887 42.059 -0.099 0.000 0.933 275 L HN 0.131 nan 8.230 nan 0.000 0.451 276 V N -0.074 119.827 119.914 -0.021 0.000 3.751 276 V HA -0.083 4.036 4.120 -0.000 0.000 0.279 276 V C 1.532 177.671 176.094 0.075 0.000 1.010 276 V CA 0.255 62.570 62.300 0.025 0.000 1.015 276 V CB 0.186 32.029 31.823 0.033 0.000 1.240 276 V HN 0.465 nan 8.190 nan 0.000 0.438 277 E N -0.544 119.704 120.200 0.080 0.000 2.140 277 E HA -0.138 4.211 4.350 -0.000 0.000 0.191 277 E C 1.660 178.340 176.600 0.133 0.000 0.973 277 E CA 0.889 57.351 56.400 0.103 0.000 0.829 277 E CB -0.288 29.450 29.700 0.063 0.000 0.781 277 E HN 0.740 nan 8.360 nan 0.000 0.466 278 E N 1.087 121.347 120.200 0.101 0.000 2.279 278 E HA -0.237 4.113 4.350 -0.000 0.000 0.205 278 E C 1.429 178.096 176.600 0.111 0.000 1.028 278 E CA 1.727 58.175 56.400 0.080 0.000 0.830 278 E CB -0.536 29.202 29.700 0.063 0.000 0.736 278 E HN 0.480 nan 8.360 nan 0.000 0.478 279 W N 1.080 122.360 121.300 -0.034 0.000 2.290 279 W HA -0.403 4.257 4.660 -0.000 0.000 0.328 279 W C 2.364 178.869 176.519 -0.023 0.000 1.272 279 W CA 1.820 59.140 57.345 -0.041 0.000 1.262 279 W CB -0.476 28.953 29.460 -0.051 0.000 1.151 279 W HN 0.220 nan 8.180 nan 0.000 0.473 280 A N 1.066 123.871 122.820 -0.025 0.000 1.929 280 A HA -0.371 3.948 4.320 -0.000 0.000 0.221 280 A C 1.726 179.236 177.584 -0.123 0.000 1.211 280 A CA 2.528 54.514 52.037 -0.086 0.000 0.657 280 A CB -1.448 17.568 19.000 0.026 0.000 0.827 280 A HN 0.518 nan 8.150 nan 0.000 0.462 281 N N -0.384 118.263 118.700 -0.088 0.000 2.069 281 N HA -0.123 4.617 4.740 -0.000 0.000 0.191 281 N C 2.109 177.524 175.510 -0.159 0.000 1.031 281 N CA 1.566 54.565 53.050 -0.085 0.000 0.852 281 N CB -0.585 37.874 38.487 -0.047 0.000 1.018 281 N HN 0.519 nan 8.380 nan 0.000 0.423 282 S N 0.155 115.684 115.700 -0.285 0.000 2.336 282 S HA -0.045 4.425 4.470 -0.000 0.000 0.214 282 S C 0.838 175.173 174.600 -0.441 0.000 1.032 282 S CA 0.903 58.866 58.200 -0.395 0.000 1.001 282 S CB -0.287 62.560 63.200 -0.588 0.000 0.953 282 S HN 0.211 nan 8.310 nan 0.000 0.430 283 V N 1.135 120.625 119.914 -0.707 0.000 2.461 283 V HA 0.643 4.763 4.120 -0.000 0.000 0.275 283 V C -0.453 175.567 176.094 -0.124 0.000 1.047 283 V CA -0.582 61.495 62.300 -0.371 0.000 0.955 283 V CB 0.983 32.579 31.823 -0.378 0.000 0.988 283 V HN 0.271 nan 8.190 nan 0.000 0.471 284 K N 3.413 123.826 120.400 0.022 0.000 2.281 284 K HA 0.475 4.795 4.320 -0.000 0.000 0.242 284 K C -0.418 176.197 176.600 0.025 0.000 0.971 284 K CA -0.959 55.380 56.287 0.086 0.000 0.834 284 K CB 1.926 34.439 32.500 0.022 0.000 1.181 284 K HN 0.842 nan 8.250 nan 0.000 0.435 285 K N 3.103 123.425 120.400 -0.129 0.000 2.383 285 K HA 0.038 4.357 4.320 -0.000 0.000 0.286 285 K C -1.049 175.414 176.600 -0.229 0.000 1.051 285 K CA 0.267 56.271 56.287 -0.472 0.000 0.974 285 K CB 0.382 32.541 32.500 -0.567 0.000 0.968 285 K HN 0.597 nan 8.250 nan 0.000 0.475 286 Q N 2.625 122.309 119.800 -0.193 0.000 2.575 286 Q HA 0.258 4.598 4.340 -0.000 0.000 0.290 286 Q C -1.456 174.471 176.000 -0.122 0.000 0.963 286 Q CA -1.245 54.492 55.803 -0.111 0.000 0.783 286 Q CB 1.010 29.733 28.738 -0.025 0.000 1.467 286 Q HN 0.270 nan 8.270 nan 0.000 0.402 287 K N 1.152 121.484 120.400 -0.113 0.000 2.368 287 K HA 0.405 4.725 4.320 -0.000 0.000 0.282 287 K C -1.245 175.310 176.600 -0.075 0.000 1.035 287 K CA -0.087 56.131 56.287 -0.116 0.000 0.973 287 K CB 0.664 33.102 32.500 -0.103 0.000 0.957 287 K HN 0.465 nan 8.250 nan 0.000 0.474 288 V N 3.654 123.560 119.914 -0.013 0.000 2.932 288 V HA 0.176 4.296 4.120 -0.000 0.000 0.307 288 V C -0.735 175.392 176.094 0.055 0.000 1.147 288 V CA -1.050 61.245 62.300 -0.008 0.000 0.951 288 V CB 1.973 33.789 31.823 -0.011 0.000 1.031 288 V HN 0.797 nan 8.190 nan 0.000 0.426 289 E N 1.853 122.069 120.200 0.026 0.000 2.313 289 E HA 0.571 4.920 4.350 -0.000 0.000 0.276 289 E C -1.214 175.347 176.600 -0.064 0.000 1.031 289 E CA -0.283 56.124 56.400 0.011 0.000 0.857 289 E CB 2.096 31.939 29.700 0.238 0.000 1.040 289 E HN 0.430 nan 8.360 nan 0.000 0.408 290 V N 3.544 123.321 119.914 -0.229 0.000 2.709 290 V HA 0.284 4.403 4.120 -0.000 0.000 0.308 290 V C -1.240 174.777 176.094 -0.128 0.000 1.062 290 V CA -0.851 61.337 62.300 -0.186 0.000 0.901 290 V CB 1.250 32.834 31.823 -0.397 0.000 1.003 290 V HN 0.587 nan 8.190 nan 0.000 0.425 291 Y N 4.574 124.836 120.300 -0.062 0.000 2.345 291 Y HA 0.692 5.242 4.550 -0.000 0.000 0.331 291 Y C -0.393 175.386 175.900 -0.202 0.000 0.959 291 Y CA -0.603 57.443 58.100 -0.091 0.000 1.204 291 Y CB 1.835 40.163 38.460 -0.219 0.000 1.135 291 Y HN 0.484 nan 8.280 nan 0.000 0.477 292 L N 7.296 128.447 121.223 -0.121 0.000 2.356 292 L HA 0.678 5.018 4.340 -0.000 0.000 0.277 292 L C -2.818 173.934 176.870 -0.196 0.000 0.996 292 L CA -2.756 51.944 54.840 -0.233 0.000 0.822 292 L CB 1.679 43.508 42.059 -0.383 0.000 1.256 292 L HN 0.243 nan 8.230 nan 0.000 0.413 293 P HA 0.129 nan 4.420 nan 0.000 0.271 293 P C -1.052 176.299 177.300 0.085 0.000 1.216 293 P CA -0.243 62.886 63.100 0.049 0.000 0.771 293 P CB 0.368 32.147 31.700 0.131 0.000 0.864 294 R N 4.206 124.696 120.500 -0.016 0.000 2.446 294 R HA 0.231 4.570 4.340 -0.000 0.000 0.325 294 R C -0.418 175.921 176.300 0.065 0.000 0.997 294 R CA 0.392 56.465 56.100 -0.045 0.000 1.010 294 R CB -0.849 29.430 30.300 -0.034 0.000 0.946 294 R HN 0.486 nan 8.270 nan 0.000 0.422 295 F N -0.036 119.873 119.950 -0.068 0.000 2.685 295 F HA 0.608 5.135 4.527 -0.000 0.000 0.315 295 F C -1.402 174.339 175.800 -0.097 0.000 1.126 295 F CA -0.968 56.988 58.000 -0.073 0.000 0.950 295 F CB 1.850 40.813 39.000 -0.062 0.000 1.360 295 F HN 0.145 nan 8.300 nan 0.000 0.469 296 T N 1.696 116.377 114.554 0.212 0.000 2.916 296 T HA 0.693 5.043 4.350 -0.000 0.000 0.298 296 T C -1.705 173.029 174.700 0.056 0.000 1.031 296 T CA -0.500 61.587 62.100 -0.022 0.000 0.993 296 T CB 1.839 70.631 68.868 -0.126 0.000 1.045 296 T HN 0.658 nan 8.240 nan 0.000 0.454 297 V N 3.014 122.888 119.914 -0.067 0.000 2.876 297 V HA 0.742 4.862 4.120 -0.000 0.000 0.312 297 V C -0.561 175.427 176.094 -0.176 0.000 1.085 297 V CA -0.783 61.502 62.300 -0.026 0.000 0.945 297 V CB 2.184 34.094 31.823 0.145 0.000 1.017 297 V HN 0.895 nan 8.190 nan 0.000 0.428 298 E N 2.301 122.469 120.200 -0.054 0.000 2.335 298 E HA 0.591 4.940 4.350 -0.000 0.000 0.280 298 E C -1.947 174.702 176.600 0.083 0.000 0.918 298 E CA -0.570 55.845 56.400 0.025 0.000 0.765 298 E CB 2.358 32.120 29.700 0.104 0.000 1.218 298 E HN 0.549 nan 8.360 nan 0.000 0.425 299 Q N 1.979 121.847 119.800 0.112 0.000 2.418 299 Q HA 0.428 4.768 4.340 -0.000 0.000 0.282 299 Q C -1.945 174.113 176.000 0.098 0.000 1.044 299 Q CA -0.570 55.298 55.803 0.108 0.000 0.813 299 Q CB 2.155 30.974 28.738 0.135 0.000 1.428 299 Q HN 0.658 nan 8.270 nan 0.000 0.402 300 E N 2.633 122.881 120.200 0.081 0.000 2.291 300 E HA 0.602 4.952 4.350 -0.000 0.000 0.276 300 E C -1.218 175.421 176.600 0.064 0.000 0.896 300 E CA -0.456 55.981 56.400 0.061 0.000 0.774 300 E CB 1.110 30.839 29.700 0.048 0.000 1.227 300 E HN 0.612 nan 8.360 nan 0.000 0.413 301 I N 0.436 121.057 120.570 0.085 0.000 2.730 301 I HA 0.478 4.648 4.170 -0.000 0.000 0.298 301 I C -0.563 175.579 176.117 0.041 0.000 1.089 301 I CA -1.229 60.103 61.300 0.054 0.000 1.041 301 I CB 1.966 39.997 38.000 0.050 0.000 1.235 301 I HN 0.413 nan 8.210 nan 0.000 0.423 302 D N 3.911 124.308 120.400 -0.005 0.000 2.357 302 D HA 0.056 4.696 4.640 -0.000 0.000 0.265 302 D C 0.860 177.136 176.300 -0.039 0.000 1.334 302 D CA -0.215 53.768 54.000 -0.028 0.000 0.984 302 D CB 0.764 41.524 40.800 -0.066 0.000 1.077 302 D HN 0.599 nan 8.370 nan 0.000 0.514 303 L N 4.056 125.283 121.223 0.007 0.000 2.447 303 L HA -0.118 4.222 4.340 -0.000 0.000 0.225 303 L C 2.069 178.913 176.870 -0.043 0.000 1.148 303 L CA 1.444 56.285 54.840 0.002 0.000 0.808 303 L CB -0.505 41.594 42.059 0.068 0.000 0.928 303 L HN 0.490 nan 8.230 nan 0.000 0.448 304 K N -0.766 119.550 120.400 -0.140 0.000 2.103 304 K HA -0.197 4.123 4.320 -0.000 0.000 0.204 304 K C 1.864 178.245 176.600 -0.365 0.000 1.052 304 K CA 1.450 57.476 56.287 -0.435 0.000 0.945 304 K CB -0.169 31.907 32.500 -0.705 0.000 0.722 304 K HN 0.432 nan 8.250 nan 0.000 0.443 305 D N 0.311 120.573 120.400 -0.231 0.000 2.084 305 D HA -0.136 4.504 4.640 -0.000 0.000 0.196 305 D C 1.905 178.124 176.300 -0.134 0.000 0.985 305 D CA 1.393 55.288 54.000 -0.174 0.000 0.826 305 D CB 0.097 40.818 40.800 -0.132 0.000 0.978 305 D HN 0.055 nan 8.370 nan 0.000 0.456 306 V N 1.444 121.281 119.914 -0.129 0.000 2.324 306 V HA -0.249 3.871 4.120 -0.000 0.000 0.250 306 V C 2.834 178.872 176.094 -0.094 0.000 1.060 306 V CA 1.262 63.483 62.300 -0.132 0.000 1.042 306 V CB -0.596 31.112 31.823 -0.192 0.000 0.650 306 V HN 0.258 nan 8.190 nan 0.000 0.450 307 L N -0.768 120.421 121.223 -0.057 0.000 2.109 307 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 307 L C 2.615 179.511 176.870 0.044 0.000 1.086 307 L CA 1.494 56.346 54.840 0.019 0.000 0.760 307 L CB -0.541 41.598 42.059 0.133 0.000 0.910 307 L HN 0.274 nan 8.230 nan 0.000 0.437 308 K N 0.192 120.592 120.400 -0.000 0.000 2.057 308 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 308 K C 2.124 178.719 176.600 -0.007 0.000 1.050 308 K CA 1.344 57.633 56.287 0.004 0.000 0.935 308 K CB -0.226 32.226 32.500 -0.080 0.000 0.715 308 K HN 0.253 nan 8.250 nan 0.000 0.439 309 A N 0.979 123.778 122.820 -0.035 0.000 2.119 309 A HA -0.035 4.284 4.320 -0.000 0.000 0.217 309 A C 1.825 179.398 177.584 -0.018 0.000 1.153 309 A CA 0.860 52.878 52.037 -0.031 0.000 0.692 309 A CB -0.310 18.661 19.000 -0.049 0.000 0.799 309 A HN 0.180 nan 8.150 nan 0.000 0.458 310 L N -1.634 119.580 121.223 -0.015 0.000 2.591 310 L HA 0.165 4.505 4.340 -0.000 0.000 0.228 310 L C 1.625 178.506 176.870 0.018 0.000 1.133 310 L CA 0.699 55.534 54.840 -0.009 0.000 0.880 310 L CB 0.079 42.124 42.059 -0.023 0.000 1.033 310 L HN 0.589 nan 8.230 nan 0.000 0.450 311 G N 0.502 109.322 108.800 0.034 0.000 2.163 311 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.213 311 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.213 311 G C 0.169 175.113 174.900 0.073 0.000 0.991 311 G CA -0.450 44.684 45.100 0.057 0.000 0.653 311 G HN 0.227 nan 8.290 nan 0.000 0.518 312 I N 2.521 123.141 120.570 0.083 0.000 2.291 312 I HA 0.414 4.584 4.170 -0.000 0.000 0.290 312 I C 1.363 177.603 176.117 0.205 0.000 1.050 312 I CA 0.560 61.929 61.300 0.115 0.000 1.245 312 I CB 1.281 39.347 38.000 0.110 0.000 1.405 312 I HN 0.239 nan 8.210 nan 0.000 0.478 313 T N -0.669 113.991 114.554 0.177 0.000 3.046 313 T HA 0.176 4.526 4.350 -0.000 0.000 0.270 313 T C 1.102 175.927 174.700 0.210 0.000 0.920 313 T CA -0.296 61.950 62.100 0.243 0.000 0.874 313 T CB 0.189 69.133 68.868 0.126 0.000 1.214 313 T HN 0.417 nan 8.240 nan 0.000 0.536 314 E N 1.521 121.777 120.200 0.092 0.000 2.112 314 E HA 0.043 4.393 4.350 -0.000 0.000 0.190 314 E C 1.737 178.332 176.600 -0.010 0.000 0.979 314 E CA 1.143 57.566 56.400 0.038 0.000 0.814 314 E CB -0.288 29.418 29.700 0.009 0.000 0.762 314 E HN 0.671 nan 8.360 nan 0.000 0.460 315 I N -1.551 118.932 120.570 -0.145 0.000 3.010 315 I HA -0.132 4.037 4.170 -0.000 0.000 0.271 315 I C 1.181 177.119 176.117 -0.299 0.000 1.293 315 I CA 1.202 62.330 61.300 -0.287 0.000 1.452 315 I CB -0.439 37.283 38.000 -0.463 0.000 1.082 315 I HN -0.093 nan 8.210 nan 0.000 0.484 316 F N 0.857 120.879 119.950 0.121 0.000 2.678 316 F HA 0.398 4.925 4.527 -0.000 0.000 0.305 316 F C 0.829 176.781 175.800 0.252 0.000 1.090 316 F CA -0.352 57.763 58.000 0.191 0.000 1.272 316 F CB 0.078 39.133 39.000 0.092 0.000 1.060 316 F HN -0.095 nan 8.300 nan 0.000 0.576 317 I N 0.021 120.721 120.570 0.217 0.000 2.707 317 I HA 0.176 4.346 4.170 -0.000 0.000 0.309 317 I C 1.527 177.409 176.117 -0.390 0.000 1.001 317 I CA -1.068 60.202 61.300 -0.050 0.000 1.129 317 I CB 1.475 39.460 38.000 -0.026 0.000 1.308 317 I HN -0.065 nan 8.210 nan 0.000 0.466 318 K N 2.316 122.327 120.400 -0.647 0.000 2.034 318 K HA -0.207 4.113 4.320 -0.000 0.000 0.214 318 K C 0.382 176.788 176.600 -0.323 0.000 1.051 318 K CA 2.194 58.026 56.287 -0.758 0.000 0.931 318 K CB -0.051 32.189 32.500 -0.432 0.000 0.715 318 K HN 0.757 nan 8.250 nan 0.000 0.446 319 D N 0.086 120.379 120.400 -0.178 0.000 2.676 319 D HA 0.116 4.756 4.640 -0.000 0.000 0.239 319 D C -0.246 176.025 176.300 -0.048 0.000 1.213 319 D CA -0.161 53.788 54.000 -0.084 0.000 0.835 319 D CB -0.256 40.507 40.800 -0.061 0.000 1.009 319 D HN 0.200 nan 8.370 nan 0.000 0.479 320 A N 0.838 123.637 122.820 -0.035 0.000 2.462 320 A HA 0.180 4.500 4.320 -0.000 0.000 0.243 320 A C 0.439 178.020 177.584 -0.005 0.000 1.076 320 A CA -0.501 51.533 52.037 -0.005 0.000 0.773 320 A CB 0.178 19.197 19.000 0.032 0.000 1.010 320 A HN 0.219 nan 8.150 nan 0.000 0.493 321 N N 2.144 120.836 118.700 -0.013 0.000 2.767 321 N HA 0.300 5.039 4.740 -0.000 0.000 0.238 321 N C -0.455 175.038 175.510 -0.028 0.000 1.083 321 N CA -0.077 52.964 53.050 -0.015 0.000 0.964 321 N CB -0.094 38.388 38.487 -0.008 0.000 1.252 321 N HN 0.556 nan 8.380 nan 0.000 0.512 322 L N 1.824 123.021 121.223 -0.043 0.000 2.928 322 L HA 0.147 4.486 4.340 -0.000 0.000 0.246 322 L C 1.700 178.505 176.870 -0.108 0.000 1.239 322 L CA -0.051 54.735 54.840 -0.089 0.000 1.035 322 L CB -0.008 41.981 42.059 -0.117 0.000 1.360 322 L HN 0.430 nan 8.230 nan 0.000 0.529 323 T N -4.089 110.431 114.554 -0.057 0.000 3.139 323 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 323 T C 1.806 176.475 174.700 -0.052 0.000 1.164 323 T CA 0.910 62.985 62.100 -0.042 0.000 1.075 323 T CB -0.151 68.710 68.868 -0.011 0.000 0.904 323 T HN 0.420 nan 8.240 nan 0.000 0.540 324 G N 1.667 110.418 108.800 -0.082 0.000 2.430 324 G HA2 0.132 4.091 3.960 -0.000 0.000 0.216 324 G HA3 0.132 4.091 3.960 -0.000 0.000 0.216 324 G C 1.349 176.109 174.900 -0.234 0.000 1.146 324 G CA 0.811 45.879 45.100 -0.054 0.000 0.793 324 G HN 0.629 nan 8.290 nan 0.000 0.537 325 L N -0.160 120.739 121.223 -0.541 0.000 2.357 325 L HA 0.472 4.812 4.340 -0.000 0.000 0.211 325 L C 0.719 177.351 176.870 -0.396 0.000 1.075 325 L CA 1.134 55.349 54.840 -1.042 0.000 0.830 325 L CB 0.297 41.482 42.059 -1.457 0.000 0.996 325 L HN 0.187 nan 8.230 nan 0.000 0.467 326 S N -2.020 113.555 115.700 -0.208 0.000 2.556 326 S HA 0.318 4.787 4.470 -0.000 0.000 0.271 326 S C 0.150 174.757 174.600 0.011 0.000 1.135 326 S CA -0.106 58.068 58.200 -0.043 0.000 0.858 326 S CB 1.041 64.252 63.200 0.020 0.000 1.114 326 S HN 0.232 nan 8.310 nan 0.000 0.468 327 D N 1.685 122.122 120.400 0.062 0.000 2.144 327 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 327 D C 0.627 176.960 176.300 0.054 0.000 0.984 327 D CA 1.051 55.085 54.000 0.056 0.000 0.834 327 D CB -0.084 40.758 40.800 0.069 0.000 0.955 327 D HN 0.550 nan 8.370 nan 0.000 0.465 328 N N 0.822 119.578 118.700 0.095 0.000 2.429 328 N HA -0.076 4.664 4.740 -0.000 0.000 0.271 328 N C 0.207 175.777 175.510 0.100 0.000 1.272 328 N CA 0.137 53.254 53.050 0.111 0.000 0.921 328 N CB 0.521 39.163 38.487 0.258 0.000 1.128 328 N HN 0.049 nan 8.380 nan 0.000 0.481 329 K N 2.531 122.960 120.400 0.049 0.000 2.574 329 K HA -0.034 4.285 4.320 -0.000 0.000 0.193 329 K C 0.426 177.051 176.600 0.042 0.000 1.035 329 K CA 0.525 56.832 56.287 0.033 0.000 0.982 329 K CB 0.403 32.912 32.500 0.015 0.000 0.795 329 K HN 0.663 nan 8.250 nan 0.000 0.491 330 E N 0.126 120.370 120.200 0.073 0.000 2.481 330 E HA 0.161 4.511 4.350 -0.000 0.000 0.198 330 E C 0.510 177.123 176.600 0.022 0.000 1.027 330 E CA -0.181 56.251 56.400 0.053 0.000 0.900 330 E CB 0.521 30.238 29.700 0.028 0.000 0.993 330 E HN 0.213 nan 8.360 nan 0.000 0.482 331 I N 1.337 121.906 120.570 -0.002 0.000 2.823 331 I HA 0.141 4.311 4.170 -0.000 0.000 0.290 331 I C -0.190 176.082 176.117 0.259 0.000 1.091 331 I CA 0.001 61.230 61.300 -0.118 0.000 1.365 331 I CB 0.489 38.326 38.000 -0.271 0.000 1.427 331 I HN -0.118 nan 8.210 nan 0.000 0.583 332 F N 3.757 123.682 119.950 -0.040 0.000 2.744 332 F HA 0.396 4.923 4.527 -0.000 0.000 0.311 332 F C -1.698 174.063 175.800 -0.065 0.000 1.144 332 F CA -1.357 56.615 58.000 -0.047 0.000 0.938 332 F CB 0.584 39.589 39.000 0.008 0.000 1.292 332 F HN 0.106 nan 8.300 nan 0.000 0.444 333 L N 2.139 123.265 121.223 -0.161 0.000 2.410 333 L HA 0.426 4.766 4.340 -0.000 0.000 0.273 333 L C 0.618 177.394 176.870 -0.156 0.000 1.152 333 L CA 0.913 55.604 54.840 -0.248 0.000 0.855 333 L CB 1.112 42.945 42.059 -0.378 0.000 1.129 333 L HN 0.891 nan 8.230 nan 0.000 0.463 334 S N 2.536 118.117 115.700 -0.198 0.000 2.741 334 S HA 0.353 4.823 4.470 -0.000 0.000 0.245 334 S C 0.150 174.735 174.600 -0.024 0.000 1.083 334 S CA 0.000 58.088 58.200 -0.186 0.000 0.873 334 S CB 0.272 63.196 63.200 -0.461 0.000 0.814 334 S HN 0.508 nan 8.310 nan 0.000 0.476 335 K N 1.531 121.932 120.400 0.002 0.000 2.427 335 K HA 0.725 5.045 4.320 -0.000 0.000 0.252 335 K C -1.428 175.250 176.600 0.129 0.000 0.931 335 K CA -0.405 55.919 56.287 0.061 0.000 0.793 335 K CB 1.731 34.270 32.500 0.066 0.000 1.211 335 K HN 0.170 nan 8.250 nan 0.000 0.426 336 A N 3.808 126.720 122.820 0.152 0.000 2.332 336 A HA 0.678 4.998 4.320 -0.000 0.000 0.300 336 A C -0.959 176.695 177.584 0.117 0.000 1.153 336 A CA -0.605 51.525 52.037 0.155 0.000 0.764 336 A CB 0.338 19.464 19.000 0.210 0.000 1.174 336 A HN 0.551 nan 8.150 nan 0.000 0.467 337 I N 1.705 122.353 120.570 0.130 0.000 2.441 337 I HA 0.464 4.634 4.170 -0.000 0.000 0.295 337 I C -0.267 175.969 176.117 0.199 0.000 0.994 337 I CA -0.153 61.223 61.300 0.126 0.000 1.144 337 I CB 1.922 39.976 38.000 0.090 0.000 1.314 337 I HN 0.772 nan 8.210 nan 0.000 0.445 338 H N 5.793 124.917 119.070 0.089 0.000 2.689 338 H HA 0.572 5.127 4.556 -0.000 0.000 0.346 338 H C -1.276 174.137 175.328 0.142 0.000 1.037 338 H CA -0.772 55.348 56.048 0.120 0.000 1.234 338 H CB 1.249 31.074 29.762 0.105 0.000 1.572 338 H HN 0.449 nan 8.280 nan 0.000 0.524 339 K N 4.130 124.283 120.400 -0.412 0.000 2.471 339 K HA 0.504 4.824 4.320 -0.000 0.000 0.252 339 K C -1.245 175.195 176.600 -0.266 0.000 0.938 339 K CA -0.644 55.497 56.287 -0.243 0.000 0.796 339 K CB 1.397 33.890 32.500 -0.012 0.000 1.161 339 K HN 0.670 nan 8.250 nan 0.000 0.425 340 S N 2.881 118.535 115.700 -0.076 0.000 2.578 340 S HA 0.566 5.036 4.470 -0.000 0.000 0.301 340 S C -1.369 173.379 174.600 0.247 0.000 1.091 340 S CA -0.642 57.664 58.200 0.175 0.000 1.032 340 S CB 0.975 64.382 63.200 0.345 0.000 1.064 340 S HN 0.542 nan 8.310 nan 0.000 0.508 341 F N 2.683 122.668 119.950 0.059 0.000 2.671 341 F HA 0.605 5.131 4.527 -0.000 0.000 0.332 341 F C -1.552 174.154 175.800 -0.157 0.000 1.189 341 F CA -0.796 57.227 58.000 0.038 0.000 0.988 341 F CB 0.721 39.834 39.000 0.189 0.000 1.258 341 F HN 0.433 nan 8.300 nan 0.000 0.471 342 L N 5.117 126.082 121.223 -0.429 0.000 2.334 342 L HA 0.611 4.951 4.340 -0.000 0.000 0.273 342 L C -1.097 175.477 176.870 -0.494 0.000 1.013 342 L CA -0.329 54.266 54.840 -0.408 0.000 0.816 342 L CB 1.884 43.802 42.059 -0.235 0.000 1.278 342 L HN 0.701 nan 8.230 nan 0.000 0.431 343 E N 2.373 122.345 120.200 -0.381 0.000 2.263 343 E HA 0.564 4.914 4.350 -0.000 0.000 0.268 343 E C -1.932 174.435 176.600 -0.390 0.000 0.884 343 E CA -0.614 55.585 56.400 -0.335 0.000 0.766 343 E CB 2.018 31.658 29.700 -0.100 0.000 1.196 343 E HN 0.439 nan 8.360 nan 0.000 0.416 344 V N 5.002 124.584 119.914 -0.553 0.000 2.448 344 V HA 0.487 4.607 4.120 -0.000 0.000 0.295 344 V C -0.389 175.524 176.094 -0.302 0.000 1.025 344 V CA -0.506 61.480 62.300 -0.524 0.000 0.859 344 V CB 1.299 32.495 31.823 -1.045 0.000 0.988 344 V HN 0.831 nan 8.190 nan 0.000 0.431 345 N N 2.847 121.470 118.700 -0.128 0.000 3.439 345 N HA 0.343 5.083 4.740 -0.000 0.000 0.313 345 N C 0.279 175.869 175.510 0.133 0.000 1.598 345 N CA -0.809 52.220 53.050 -0.034 0.000 0.830 345 N CB 1.042 39.506 38.487 -0.039 0.000 1.849 345 N HN 0.186 nan 8.380 nan 0.000 0.598 346 E N 0.164 120.440 120.200 0.126 0.000 2.072 346 E HA 0.048 4.398 4.350 -0.000 0.000 0.190 346 E C -0.274 176.533 176.600 0.345 0.000 0.982 346 E CA 0.768 57.327 56.400 0.265 0.000 0.803 346 E CB -0.231 29.580 29.700 0.185 0.000 0.755 346 E HN 0.569 nan 8.360 nan 0.000 0.453 358 I N 0.776 121.353 120.570 0.012 0.000 2.732 358 I HA 0.023 4.193 4.170 -0.000 0.000 0.127 358 I C 1.053 177.180 176.117 0.016 0.000 0.882 358 I CA 1.100 62.411 61.300 0.018 0.000 2.785 358 I CB -1.777 36.240 38.000 0.027 0.000 0.553 358 I HN 0.782 nan 8.210 nan 0.000 0.352 359 A N 4.757 127.585 122.820 0.013 0.000 1.864 359 A HA 0.526 4.846 4.320 -0.000 0.000 0.213 359 A C 1.902 179.499 177.584 0.022 0.000 1.266 359 A CA 1.694 53.737 52.037 0.012 0.000 0.612 359 A CB -0.196 18.806 19.000 0.003 0.000 0.940 359 A HN 1.308 nan 8.150 nan 0.000 0.463 360 I N -3.299 117.290 120.570 0.033 0.000 3.368 360 I HA -0.222 3.947 4.170 -0.000 0.000 0.327 360 I C -0.175 175.981 176.117 0.065 0.000 0.497 360 I CA 0.880 62.208 61.300 0.047 0.000 1.023 360 I CB -0.941 37.078 38.000 0.032 0.000 3.877 360 I HN 0.841 nan 8.210 nan 0.000 1.070 361 S N 1.650 117.378 115.700 0.046 0.000 3.564 361 S HA -0.180 4.290 4.470 -0.000 0.000 0.823 361 S C 0.794 175.435 174.600 0.069 0.000 1.040 361 S CA 0.888 59.120 58.200 0.053 0.000 1.205 361 S CB -0.347 62.896 63.200 0.071 0.000 1.330 361 S HN 0.489 nan 8.310 nan 0.000 0.379 362 R N 2.417 122.941 120.500 0.040 0.000 2.073 362 R HA 0.209 4.549 4.340 -0.000 0.000 0.229 362 R C 1.263 177.592 176.300 0.049 0.000 1.120 362 R CA 1.395 57.514 56.100 0.032 0.000 0.967 362 R CB -0.531 29.772 30.300 0.006 0.000 0.862 362 R HN 1.205 nan 8.270 nan 0.000 0.436 363 M N -1.101 118.536 119.600 0.062 0.000 3.643 363 M HA -0.082 4.398 4.480 -0.000 0.000 0.150 363 M C -1.667 174.615 176.300 -0.030 0.000 1.412 363 M CA -0.066 55.285 55.300 0.086 0.000 1.039 363 M CB -0.340 32.313 32.600 0.087 0.000 1.524 363 M HN 0.136 nan 8.290 nan 0.000 0.348 364 A N 4.370 127.156 122.820 -0.058 0.000 2.531 364 A HA 0.497 4.816 4.320 -0.000 0.000 0.236 364 A C 0.394 177.469 177.584 -0.849 0.000 1.062 364 A CA 0.136 51.983 52.037 -0.318 0.000 0.760 364 A CB 0.141 19.035 19.000 -0.178 0.000 0.995 364 A HN 0.994 nan 8.150 nan 0.000 0.501 365 V N 2.425 121.769 119.914 -0.949 0.000 3.287 365 V HA 0.166 4.286 4.120 -0.000 0.000 0.306 365 V C 1.397 177.232 176.094 -0.431 0.000 1.103 365 V CA 0.648 62.378 62.300 -0.949 0.000 1.159 365 V CB -0.001 31.557 31.823 -0.441 0.000 1.036 365 V HN 1.018 nan 8.190 nan 0.000 0.487 366 L N -1.536 119.548 121.223 -0.232 0.000 2.524 366 L HA -0.170 4.170 4.340 -0.000 0.000 0.469 366 L C 0.827 177.720 176.870 0.040 0.000 0.756 366 L CA 0.306 55.108 54.840 -0.064 0.000 2.444 366 L CB -1.953 40.058 42.059 -0.081 0.000 1.151 366 L HN 0.762 nan 8.230 nan 0.000 0.566 367 Y N 1.852 122.147 120.300 -0.009 0.000 2.226 367 Y HA 0.152 4.701 4.550 -0.000 0.000 0.275 367 Y C -0.813 175.057 175.900 -0.049 0.000 1.087 367 Y CA 1.550 59.643 58.100 -0.012 0.000 1.086 367 Y CB -0.426 38.034 38.460 -0.001 0.000 1.026 367 Y HN 0.132 nan 8.280 nan 0.000 0.484 368 P HA 0.175 nan 4.420 nan 0.000 0.284 368 P C -1.463 175.836 177.300 -0.001 0.000 1.292 368 P CA -0.317 62.859 63.100 0.127 0.000 0.800 368 P CB 1.539 33.200 31.700 -0.064 0.000 1.188 369 Q N -0.821 118.901 119.800 -0.129 0.000 2.387 369 Q HA 0.574 4.914 4.340 -0.000 0.000 0.273 369 Q C -1.408 174.553 176.000 -0.064 0.000 1.089 369 Q CA -1.029 54.715 55.803 -0.099 0.000 0.824 369 Q CB 2.366 30.963 28.738 -0.235 0.000 1.367 369 Q HN 0.123 nan 8.270 nan 0.000 0.443 370 V N 3.461 123.372 119.914 -0.004 0.000 2.443 370 V HA 0.416 4.536 4.120 -0.000 0.000 0.293 370 V C -0.761 175.358 176.094 0.041 0.000 1.021 370 V CA -0.419 61.888 62.300 0.012 0.000 0.848 370 V CB 1.530 33.344 31.823 -0.015 0.000 0.998 370 V HN 0.653 nan 8.190 nan 0.000 0.424 371 I N 5.476 126.041 120.570 -0.008 0.000 2.412 371 I HA 0.268 4.438 4.170 -0.000 0.000 0.279 371 I C 0.009 176.080 176.117 -0.076 0.000 1.063 371 I CA -0.518 60.753 61.300 -0.047 0.000 1.193 371 I CB 1.595 39.521 38.000 -0.124 0.000 1.370 371 I HN 0.304 nan 8.210 nan 0.000 0.479 372 V N 5.745 125.578 119.914 -0.135 0.000 2.149 372 V HA 0.029 4.149 4.120 -0.000 0.000 0.245 372 V C 0.662 176.679 176.094 -0.128 0.000 1.349 372 V CA 0.088 62.227 62.300 -0.269 0.000 1.289 372 V CB -0.545 30.983 31.823 -0.492 0.000 1.401 372 V HN 0.753 nan 8.190 nan 0.000 0.501 373 D N 1.239 121.577 120.400 -0.104 0.000 2.513 373 D HA 0.079 4.719 4.640 -0.000 0.000 0.222 373 D C 0.460 176.385 176.300 -0.626 0.000 1.210 373 D CA -0.119 53.860 54.000 -0.035 0.000 0.825 373 D CB 0.335 41.209 40.800 0.124 0.000 1.037 373 D HN 0.611 nan 8.370 nan 0.000 0.506 374 H N -2.276 116.375 119.070 -0.699 0.000 2.941 374 H HA 0.562 5.118 4.556 -0.000 0.000 0.344 374 H C -3.159 172.022 175.328 -0.246 0.000 1.235 374 H CA -2.147 53.303 56.048 -0.997 0.000 1.149 374 H CB -0.197 29.301 29.762 -0.440 0.000 1.885 374 H HN -0.345 nan 8.280 nan 0.000 0.558 375 P HA -0.005 nan 4.420 nan 0.000 0.266 375 P C -0.820 176.580 177.300 0.166 0.000 1.186 375 P CA 0.823 64.031 63.100 0.179 0.000 0.767 375 P CB -0.004 31.752 31.700 0.094 0.000 0.820 376 F N 0.238 120.232 119.950 0.073 0.000 2.668 376 F HA 0.650 5.177 4.527 -0.000 0.000 0.309 376 F C -1.510 174.426 175.800 0.227 0.000 1.117 376 F CA -1.574 56.481 58.000 0.092 0.000 0.951 376 F CB 0.827 39.828 39.000 0.002 0.000 1.323 376 F HN 0.128 nan 8.300 nan 0.000 0.451 377 F N 3.678 123.816 119.950 0.313 0.000 2.399 377 F HA 0.798 5.325 4.527 -0.000 0.000 0.334 377 F C -1.188 174.840 175.800 0.381 0.000 1.097 377 F CA -1.466 56.661 58.000 0.212 0.000 1.076 377 F CB 1.290 40.345 39.000 0.091 0.000 1.162 377 F HN 0.572 nan 8.300 nan 0.000 0.495 378 F N 4.929 124.206 119.950 -1.121 0.000 2.619 378 F HA 0.756 5.283 4.527 -0.000 0.000 0.308 378 F C -2.326 172.922 175.800 -0.921 0.000 1.097 378 F CA -1.345 56.241 58.000 -0.690 0.000 0.953 378 F CB 1.011 39.979 39.000 -0.054 0.000 1.287 378 F HN 0.420 nan 8.300 nan 0.000 0.446 379 L N 3.044 124.084 121.223 -0.305 0.000 2.286 379 L HA 0.657 4.997 4.340 -0.000 0.000 0.265 379 L C -0.777 176.138 176.870 0.075 0.000 1.012 379 L CA -1.226 53.491 54.840 -0.204 0.000 0.818 379 L CB 2.349 44.373 42.059 -0.058 0.000 1.337 379 L HN 0.670 nan 8.230 nan 0.000 0.438 380 I N 1.814 122.392 120.570 0.013 0.000 2.418 380 I HA 0.402 4.572 4.170 -0.000 0.000 0.287 380 I C -0.593 175.497 176.117 -0.044 0.000 1.008 380 I CA -0.540 60.781 61.300 0.036 0.000 1.104 380 I CB 1.750 39.723 38.000 -0.045 0.000 1.264 380 I HN 0.640 nan 8.210 nan 0.000 0.438 381 R N 4.656 125.151 120.500 -0.008 0.000 2.803 381 R HA 0.437 4.777 4.340 -0.000 0.000 0.276 381 R C -0.826 175.466 176.300 -0.015 0.000 0.978 381 R CA -0.841 55.226 56.100 -0.055 0.000 0.939 381 R CB 1.639 31.881 30.300 -0.096 0.000 1.179 381 R HN 0.463 nan 8.270 nan 0.000 0.472 382 N N 2.063 120.752 118.700 -0.018 0.000 2.399 382 N HA 0.034 4.773 4.740 -0.000 0.000 0.259 382 N C 0.240 175.771 175.510 0.034 0.000 1.160 382 N CA -0.008 53.075 53.050 0.056 0.000 0.946 382 N CB 0.759 39.348 38.487 0.169 0.000 1.156 382 N HN 0.593 nan 8.380 nan 0.000 0.489 383 R N 2.211 122.739 120.500 0.047 0.000 2.249 383 R HA -0.052 4.287 4.340 -0.000 0.000 0.230 383 R C 1.312 177.630 176.300 0.031 0.000 1.121 383 R CA 1.067 57.184 56.100 0.028 0.000 0.997 383 R CB 0.267 30.595 30.300 0.046 0.000 0.867 383 R HN 0.515 nan 8.270 nan 0.000 0.465 384 R N -0.882 119.649 120.500 0.052 0.000 2.237 384 R HA 0.024 4.364 4.340 -0.000 0.000 0.195 384 R C 1.801 178.128 176.300 0.045 0.000 0.956 384 R CA 1.495 57.625 56.100 0.051 0.000 1.029 384 R CB 0.423 30.759 30.300 0.059 0.000 0.972 384 R HN 0.280 nan 8.270 nan 0.000 0.493 385 T N -4.851 109.738 114.554 0.058 0.000 2.989 385 T HA 0.222 4.571 4.350 -0.000 0.000 0.250 385 T C 1.395 176.086 174.700 -0.014 0.000 0.981 385 T CA 0.702 62.832 62.100 0.051 0.000 0.980 385 T CB 1.061 70.027 68.868 0.162 0.000 1.133 385 T HN 0.265 nan 8.240 nan 0.000 0.489 386 G N 1.390 110.159 108.800 -0.052 0.000 2.175 386 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.244 386 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.244 386 G C 0.182 174.998 174.900 -0.139 0.000 0.982 386 G CA 0.064 45.084 45.100 -0.134 0.000 0.641 386 G HN 0.762 nan 8.290 nan 0.000 0.527 387 T N 2.957 117.435 114.554 -0.127 0.000 2.792 387 T HA 0.361 4.711 4.350 -0.000 0.000 0.286 387 T C 0.996 175.567 174.700 -0.215 0.000 0.970 387 T CA 0.132 62.101 62.100 -0.219 0.000 1.187 387 T CB 0.665 69.244 68.868 -0.482 0.000 0.915 387 T HN 0.239 nan 8.240 nan 0.000 0.529 388 I N 5.164 125.611 120.570 -0.206 0.000 2.452 388 I HA 0.053 4.223 4.170 -0.000 0.000 0.287 388 I C 1.006 176.965 176.117 -0.264 0.000 1.079 388 I CA -0.250 60.929 61.300 -0.202 0.000 1.387 388 I CB 0.489 38.385 38.000 -0.174 0.000 1.404 388 I HN 0.556 nan 8.210 nan 0.000 0.522 389 L N 7.046 128.102 121.223 -0.277 0.000 2.121 389 L HA 0.213 4.553 4.340 -0.000 0.000 0.200 389 L C 0.336 176.780 176.870 -0.711 0.000 1.077 389 L CA 1.526 56.099 54.840 -0.445 0.000 0.766 389 L CB -0.316 41.534 42.059 -0.348 0.000 0.931 389 L HN 0.367 nan 8.230 nan 0.000 0.452 390 F N -0.896 118.890 119.950 -0.273 0.000 2.579 390 F HA 0.650 5.176 4.527 -0.000 0.000 0.324 390 F C 0.018 175.540 175.800 -0.464 0.000 1.058 390 F CA -0.924 56.882 58.000 -0.323 0.000 0.944 390 F CB 1.550 40.399 39.000 -0.251 0.000 1.245 390 F HN -0.172 nan 8.300 nan 0.000 0.477 391 M N 0.809 120.103 119.600 -0.511 0.000 2.520 391 M HA 0.952 5.431 4.480 -0.000 0.000 0.283 391 M C -1.103 174.725 176.300 -0.786 0.000 1.237 391 M CA -0.526 54.333 55.300 -0.735 0.000 0.885 391 M CB 2.489 34.767 32.600 -0.537 0.000 1.727 391 M HN 0.719 nan 8.290 nan 0.000 0.468 392 G N 1.550 109.754 108.800 -0.994 0.000 2.559 392 G HA2 0.727 4.687 3.960 -0.000 0.000 0.291 392 G HA3 0.727 4.687 3.960 -0.000 0.000 0.291 392 G C -2.259 172.381 174.900 -0.433 0.000 1.424 392 G CA -1.210 43.577 45.100 -0.521 0.000 0.786 392 G HN 1.085 nan 8.290 nan 0.000 0.485 393 R N -0.576 119.894 120.500 -0.049 0.000 2.476 393 R HA 0.660 5.000 4.340 -0.000 0.000 0.305 393 R C -1.293 174.913 176.300 -0.157 0.000 0.965 393 R CA -0.783 55.299 56.100 -0.031 0.000 0.867 393 R CB 2.073 32.485 30.300 0.187 0.000 1.176 393 R HN 0.307 nan 8.270 nan 0.000 0.447 394 V N 5.269 124.898 119.914 -0.474 0.000 2.389 394 V HA 0.096 4.216 4.120 -0.000 0.000 0.264 394 V C 0.814 176.653 176.094 -0.424 0.000 1.049 394 V CA -0.374 61.589 62.300 -0.560 0.000 0.932 394 V CB 0.949 32.134 31.823 -1.064 0.000 1.011 394 V HN 0.909 nan 8.190 nan 0.000 0.475 395 M N 2.908 122.373 119.600 -0.226 0.000 2.516 395 M HA 0.221 4.701 4.480 -0.000 0.000 0.259 395 M C 0.154 176.154 176.300 -0.500 0.000 1.146 395 M CA 0.814 55.957 55.300 -0.261 0.000 1.122 395 M CB -0.302 32.165 32.600 -0.222 0.000 1.341 395 M HN 0.717 nan 8.290 nan 0.000 0.478 396 H N -0.069 118.932 119.070 -0.114 0.000 2.808 396 H HA 0.222 4.777 4.556 -0.000 0.000 0.268 396 H C -1.877 173.302 175.328 -0.248 0.000 1.306 396 H CA -1.049 54.914 56.048 -0.142 0.000 1.565 396 H CB 0.966 30.689 29.762 -0.063 0.000 1.632 396 H HN -0.069 nan 8.280 nan 0.000 0.525 397 P HA -0.107 nan 4.420 nan 0.000 0.224 397 P C 0.452 177.668 177.300 -0.140 0.000 1.157 397 P CA 0.593 63.468 63.100 -0.376 0.000 0.799 397 P CB 0.620 31.890 31.700 -0.716 0.000 0.809 398 E N 1.585 121.703 120.200 -0.137 0.000 2.455 398 E HA 0.081 4.431 4.350 -0.000 0.000 0.259 398 E C 0.042 176.646 176.600 0.007 0.000 1.245 398 E CA 0.491 56.868 56.400 -0.038 0.000 1.013 398 E CB -0.424 29.272 29.700 -0.007 0.000 0.978 398 E HN 0.138 nan 8.360 nan 0.000 0.479 399 T N 0.000 114.567 114.554 0.022 0.000 3.816 399 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 399 T CA 0.000 62.120 62.100 0.033 0.000 1.349 399 T CB 0.000 68.893 68.868 0.042 0.000 0.612 399 T HN 0.000 nan 8.240 nan 0.000 0.658