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 2zy5_1_C DATA FIRST_RESID 15 DATA SEQUENCE ELKDELIKIA SSDGNRLMLN AGRGNPNFLA TTPRRAFFRL GLFAAAESEL DATA SEQUENCE SYSYMTTVGV GGLAKIDGIE GRFERYIAEN RDQEGVRFLG KSLSYVRDQL DATA SEQUENCE GLDPAAFLHE MVDGILGCNY PVPPRMLNIS EKIVRQYIIR EMGADAIPSE DATA SEQUENCE SVNLFAVEGG TAAMAYIFES LKLNGLLKAG DKVAIGMPVF TPYIEIPELA DATA SEQUENCE QYALEEVAIN ADPSLNWQYP DSELDKLKDP AIKIFFCVNP SNPPSVKMDQ DATA SEQUENCE RSLERVRNIV AEHRPDLMIL TDDVYGTFAD DFQSLFAICP ENTLLVYSFS DATA SEQUENCE KYFGATGWRL GVVAAHQQNV FDLALDKLQE SEKVALDHRY RSLLPDVRSL DATA SEQUENCE KFIDRLVADS RAVALNHTAG LSTPQQVQMA LFSLFALMDE ADEYKHTLKQ DATA SEQUENCE LIRRRETTLY RELGMPPLRD ENAVDYYTLI DLQDVTAKLY GEAFSEWAVK DATA SEQUENCE QSSTGDMLFR IADETGIVLL PGAGFGSNRP SGRASLANLN EYEYAAIGRA DATA SEQUENCE LRKMADELYA EYSGQ 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 15 E HA 0.000 nan 4.350 nan 0.000 0.291 15 E C 0.000 176.603 176.600 0.005 0.000 1.382 15 E CA 0.000 56.401 56.400 0.002 0.000 0.976 15 E CB 0.000 29.703 29.700 0.005 0.000 0.812 16 L N 1.630 122.858 121.223 0.009 0.000 2.349 16 L HA -0.102 4.238 4.340 -0.000 0.000 0.220 16 L C 1.839 178.724 176.870 0.024 0.000 1.130 16 L CA 1.170 56.020 54.840 0.016 0.000 0.791 16 L CB -0.597 41.476 42.059 0.023 0.000 0.918 16 L HN 0.257 nan 8.230 nan 0.000 0.444 17 K N -0.078 120.332 120.400 0.016 0.000 2.160 17 K HA -0.243 4.077 4.320 -0.000 0.000 0.206 17 K C 1.673 178.283 176.600 0.018 0.000 1.047 17 K CA 1.620 57.915 56.287 0.014 0.000 0.930 17 K CB -0.263 32.237 32.500 0.001 0.000 0.720 17 K HN 0.259 nan 8.250 nan 0.000 0.450 18 D N 1.337 121.746 120.400 0.015 0.000 2.087 18 D HA -0.196 4.444 4.640 -0.000 0.000 0.192 18 D C 1.881 178.199 176.300 0.030 0.000 0.993 18 D CA 1.471 55.480 54.000 0.015 0.000 0.828 18 D CB 0.001 40.806 40.800 0.008 0.000 0.968 18 D HN 0.053 nan 8.370 nan 0.000 0.448 19 E N -0.146 120.077 120.200 0.039 0.000 2.051 19 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 19 E C 2.384 179.054 176.600 0.118 0.000 0.991 19 E CA 0.642 57.084 56.400 0.070 0.000 0.799 19 E CB -0.410 29.320 29.700 0.049 0.000 0.748 19 E HN 0.329 nan 8.360 nan 0.000 0.449 20 L N 0.145 121.433 121.223 0.108 0.000 1.978 20 L HA -0.268 4.072 4.340 -0.000 0.000 0.218 20 L C 2.457 179.359 176.870 0.052 0.000 1.075 20 L CA 1.651 56.550 54.840 0.097 0.000 0.767 20 L CB -0.634 41.462 42.059 0.062 0.000 0.890 20 L HN 0.245 nan 8.230 nan 0.000 0.434 21 I N -0.339 120.251 120.570 0.033 0.000 2.194 21 I HA -0.332 3.838 4.170 -0.000 0.000 0.246 21 I C 2.757 178.886 176.117 0.020 0.000 1.093 21 I CA 1.245 62.555 61.300 0.016 0.000 1.355 21 I CB -0.617 37.389 38.000 0.009 0.000 1.046 21 I HN 0.355 nan 8.210 nan 0.000 0.413 22 K N 2.025 122.447 120.400 0.038 0.000 2.063 22 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 22 K C 1.777 178.403 176.600 0.043 0.000 1.048 22 K CA 2.044 58.356 56.287 0.041 0.000 0.928 22 K CB -0.302 32.231 32.500 0.055 0.000 0.713 22 K HN 0.298 nan 8.250 nan 0.000 0.442 23 I N 0.471 121.076 120.570 0.058 0.000 3.578 23 I HA 0.053 4.223 4.170 -0.000 0.000 0.295 23 I C 0.479 176.571 176.117 -0.041 0.000 1.280 23 I CA 0.383 61.693 61.300 0.017 0.000 1.347 23 I CB 0.284 38.285 38.000 0.002 0.000 1.051 23 I HN 0.138 nan 8.210 nan 0.000 0.460 24 A N -0.194 122.608 122.820 -0.030 0.000 2.768 24 A HA 0.623 4.943 4.320 -0.000 0.000 0.299 24 A C -0.225 177.342 177.584 -0.028 0.000 1.171 24 A CA -0.393 51.617 52.037 -0.044 0.000 0.759 24 A CB 0.483 19.441 19.000 -0.069 0.000 1.267 24 A HN -0.029 nan 8.150 nan 0.000 0.421 25 S N 1.474 117.160 115.700 -0.022 0.000 2.585 25 S HA 0.882 5.352 4.470 -0.000 0.000 0.277 25 S C 0.110 174.697 174.600 -0.021 0.000 1.241 25 S CA 0.552 58.742 58.200 -0.017 0.000 1.041 25 S CB 0.634 63.828 63.200 -0.011 0.000 0.987 25 S HN 2.259 nan 8.310 nan 0.000 0.512 26 S N 2.909 118.597 115.700 -0.019 0.000 2.712 26 S HA 0.195 4.665 4.470 -0.000 0.000 0.279 26 S C -0.594 173.996 174.600 -0.017 0.000 1.025 26 S CA -0.735 57.453 58.200 -0.020 0.000 0.861 26 S CB 0.032 63.215 63.200 -0.029 0.000 1.091 26 S HN 0.509 nan 8.310 nan 0.000 0.457 27 D N 1.271 121.663 120.400 -0.015 0.000 2.224 27 D HA 0.122 4.762 4.640 -0.000 0.000 0.205 27 D C 1.975 178.269 176.300 -0.009 0.000 0.965 27 D CA 1.732 55.726 54.000 -0.011 0.000 0.852 27 D CB -0.699 40.095 40.800 -0.010 0.000 0.947 27 D HN 0.740 nan 8.370 nan 0.000 0.494 28 G N 0.738 109.529 108.800 -0.014 0.000 2.394 28 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.215 28 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.215 28 G C 1.701 176.596 174.900 -0.009 0.000 1.165 28 G CA 0.247 45.340 45.100 -0.011 0.000 0.784 28 G HN 0.157 nan 8.290 nan 0.000 0.535 29 N N 0.343 119.032 118.700 -0.019 0.000 2.188 29 N HA -0.005 4.735 4.740 -0.000 0.000 0.184 29 N C 2.287 177.791 175.510 -0.010 0.000 1.018 29 N CA 0.402 53.441 53.050 -0.019 0.000 0.858 29 N CB -0.258 38.212 38.487 -0.028 0.000 0.989 29 N HN 0.236 nan 8.380 nan 0.000 0.426 30 R N 0.404 120.898 120.500 -0.010 0.000 2.081 30 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 30 R C 2.091 178.387 176.300 -0.006 0.000 1.131 30 R CA 0.693 56.788 56.100 -0.009 0.000 0.960 30 R CB -0.517 29.777 30.300 -0.009 0.000 0.856 30 R HN 0.152 nan 8.270 nan 0.000 0.436 31 L N 0.795 122.019 121.223 0.002 0.000 1.994 31 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 31 L C 2.295 179.177 176.870 0.019 0.000 1.071 31 L CA 1.734 56.581 54.840 0.013 0.000 0.745 31 L CB -0.340 41.737 42.059 0.030 0.000 0.892 31 L HN 0.131 nan 8.230 nan 0.000 0.431 32 M N -1.052 118.564 119.600 0.028 0.000 2.106 32 M HA -0.262 4.218 4.480 -0.000 0.000 0.259 32 M C 2.299 178.596 176.300 -0.005 0.000 1.068 32 M CA 1.959 57.276 55.300 0.028 0.000 1.100 32 M CB -1.030 31.585 32.600 0.025 0.000 1.351 32 M HN 0.361 nan 8.290 nan 0.000 0.404 33 L N -1.170 120.046 121.223 -0.011 0.000 2.084 33 L HA -0.143 4.197 4.340 -0.000 0.000 0.202 33 L C 1.976 178.825 176.870 -0.036 0.000 1.074 33 L CA 1.008 55.834 54.840 -0.022 0.000 0.757 33 L CB -0.719 41.332 42.059 -0.014 0.000 0.918 33 L HN 0.366 nan 8.230 nan 0.000 0.444 34 N N 0.133 118.813 118.700 -0.033 0.000 2.120 34 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 34 N C 1.486 176.947 175.510 -0.082 0.000 1.024 34 N CA 1.205 54.226 53.050 -0.048 0.000 0.852 34 N CB -0.042 38.423 38.487 -0.036 0.000 1.003 34 N HN 0.288 nan 8.380 nan 0.000 0.424 35 A N -0.278 122.500 122.820 -0.070 0.000 2.382 35 A HA 0.457 4.777 4.320 -0.000 0.000 0.228 35 A C 1.375 178.916 177.584 -0.072 0.000 1.217 35 A CA 0.415 52.387 52.037 -0.108 0.000 0.923 35 A CB 0.110 19.079 19.000 -0.052 0.000 0.979 35 A HN 0.242 nan 8.150 nan 0.000 0.515 36 G N 0.177 108.969 108.800 -0.012 0.000 2.225 36 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.267 36 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.267 36 G C 0.110 175.080 174.900 0.116 0.000 1.024 36 G CA 0.652 45.776 45.100 0.039 0.000 0.784 36 G HN 0.685 nan 8.290 nan 0.000 0.507 37 R N -0.648 119.952 120.500 0.166 0.000 2.670 37 R HA 0.618 4.958 4.340 -0.000 0.000 0.289 37 R C 0.352 176.861 176.300 0.349 0.000 0.965 37 R CA -0.334 55.951 56.100 0.309 0.000 0.899 37 R CB 1.819 32.278 30.300 0.263 0.000 1.173 37 R HN 0.295 nan 8.270 nan 0.000 0.456 38 G N 1.026 110.181 108.800 0.591 0.000 2.322 38 G HA2 0.161 4.121 3.960 -0.000 0.000 0.309 38 G HA3 0.161 4.121 3.960 -0.000 0.000 0.309 38 G C -0.710 174.374 174.900 0.307 0.000 1.121 38 G CA -0.484 44.860 45.100 0.408 0.000 0.886 38 G HN 0.579 nan 8.290 nan 0.000 0.447 39 N N 2.544 121.327 118.700 0.138 0.000 2.434 39 N HA 0.437 5.177 4.740 -0.000 0.000 0.272 39 N C -2.400 173.096 175.510 -0.024 0.000 1.040 39 N CA -1.417 51.677 53.050 0.073 0.000 0.956 39 N CB 1.369 39.876 38.487 0.033 0.000 1.108 39 N HN 0.135 nan 8.380 nan 0.000 0.481 40 P HA 0.053 nan 4.420 nan 0.000 0.264 40 P C -0.706 176.359 177.300 -0.393 0.000 1.193 40 P CA 0.181 62.985 63.100 -0.493 0.000 0.763 40 P CB 0.190 31.358 31.700 -0.886 0.000 0.810 41 N N 2.371 120.917 118.700 -0.256 0.000 2.268 41 N HA 0.095 4.835 4.740 -0.000 0.000 0.204 41 N C -0.341 175.194 175.510 0.041 0.000 1.124 41 N CA -0.507 52.506 53.050 -0.061 0.000 0.838 41 N CB -0.209 38.294 38.487 0.027 0.000 0.994 41 N HN 0.298 nan 8.380 nan 0.000 0.489 42 F N 0.558 120.554 119.950 0.078 0.000 2.556 42 F HA 0.770 5.296 4.527 -0.000 0.000 0.327 42 F C -0.857 175.008 175.800 0.109 0.000 1.059 42 F CA -1.657 56.392 58.000 0.083 0.000 0.953 42 F CB 1.188 40.226 39.000 0.064 0.000 1.227 42 F HN -0.140 nan 8.300 nan 0.000 0.478 43 L N -0.017 121.419 121.223 0.354 0.000 2.506 43 L HA 0.927 5.267 4.340 -0.000 0.000 0.257 43 L C -1.015 176.026 176.870 0.285 0.000 0.964 43 L CA -1.576 53.425 54.840 0.269 0.000 0.836 43 L CB 1.769 43.923 42.059 0.158 0.000 1.384 43 L HN 1.000 nan 8.230 nan 0.000 0.410 44 A N 1.094 124.039 122.820 0.209 0.000 2.444 44 A HA 0.500 4.820 4.320 -0.000 0.000 0.273 44 A C 1.036 178.578 177.584 -0.069 0.000 1.136 44 A CA 0.340 52.380 52.037 0.006 0.000 0.799 44 A CB 0.149 18.950 19.000 -0.332 0.000 1.081 44 A HN 0.952 nan 8.150 nan 0.000 0.509 45 T N -0.316 114.182 114.554 -0.093 0.000 3.039 45 T HA -0.053 4.297 4.350 -0.000 0.000 0.250 45 T C 1.667 176.229 174.700 -0.230 0.000 1.052 45 T CA 1.386 63.437 62.100 -0.082 0.000 1.125 45 T CB -0.397 68.482 68.868 0.019 0.000 0.908 45 T HN 0.467 nan 8.240 nan 0.000 0.473 46 T N 3.331 117.650 114.554 -0.392 0.000 2.720 46 T HA -0.015 4.335 4.350 -0.000 0.000 0.268 46 T C -0.419 173.832 174.700 -0.748 0.000 1.037 46 T CA 1.508 63.332 62.100 -0.459 0.000 1.144 46 T CB -1.199 67.437 68.868 -0.387 0.000 0.864 46 T HN 0.456 nan 8.240 nan 0.000 0.444 47 P HA 0.039 nan 4.420 nan 0.000 0.233 47 P C 1.224 178.124 177.300 -0.667 0.000 1.167 47 P CA 0.814 63.310 63.100 -1.007 0.000 0.770 47 P CB 0.029 31.208 31.700 -0.869 0.000 0.837 48 R N 0.158 120.365 120.500 -0.489 0.000 2.075 48 R HA 0.083 4.423 4.340 -0.000 0.000 0.226 48 R C 2.626 178.695 176.300 -0.385 0.000 1.114 48 R CA 0.848 56.666 56.100 -0.470 0.000 0.972 48 R CB -0.252 29.927 30.300 -0.201 0.000 0.869 48 R HN 0.156 nan 8.270 nan 0.000 0.437 49 R N 0.504 120.926 120.500 -0.129 0.000 2.120 49 R HA -0.056 4.284 4.340 -0.000 0.000 0.234 49 R C 2.292 178.618 176.300 0.043 0.000 1.123 49 R CA 1.225 57.374 56.100 0.082 0.000 0.975 49 R CB -0.321 30.026 30.300 0.079 0.000 0.866 49 R HN 0.178 nan 8.270 nan 0.000 0.446 50 A N 1.293 124.067 122.820 -0.077 0.000 1.841 50 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 50 A C 1.955 179.557 177.584 0.031 0.000 1.199 50 A CA 1.421 53.480 52.037 0.037 0.000 0.621 50 A CB -0.913 18.098 19.000 0.019 0.000 0.835 50 A HN 0.357 nan 8.150 nan 0.000 0.445 51 F N -0.162 119.614 119.950 -0.291 0.000 2.063 51 F HA -0.304 4.223 4.527 -0.000 0.000 0.298 51 F C 2.074 177.768 175.800 -0.178 0.000 1.105 51 F CA 2.377 60.171 58.000 -0.344 0.000 1.215 51 F CB -0.494 38.112 39.000 -0.658 0.000 0.972 51 F HN 0.268 nan 8.300 nan 0.000 0.483 52 F N -0.624 119.465 119.950 0.231 0.000 2.134 52 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 52 F C 2.569 178.402 175.800 0.055 0.000 1.097 52 F CA 0.939 59.023 58.000 0.140 0.000 1.264 52 F CB -0.497 38.605 39.000 0.170 0.000 1.001 52 F HN -0.172 nan 8.300 nan 0.000 0.479 53 R N 0.609 121.265 120.500 0.261 0.000 2.073 53 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 53 R C 2.078 178.497 176.300 0.198 0.000 1.134 53 R CA 1.096 57.346 56.100 0.251 0.000 0.952 53 R CB -1.001 29.444 30.300 0.242 0.000 0.850 53 R HN 0.243 nan 8.270 nan 0.000 0.433 54 L N -0.041 121.249 121.223 0.112 0.000 2.081 54 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 54 L C 1.958 178.818 176.870 -0.016 0.000 1.080 54 L CA 2.407 57.287 54.840 0.067 0.000 0.754 54 L CB -1.073 40.970 42.059 -0.026 0.000 0.893 54 L HN 0.281 nan 8.230 nan 0.000 0.433 55 G N -0.352 108.387 108.800 -0.102 0.000 2.440 55 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 55 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 55 G C 1.595 176.467 174.900 -0.048 0.000 1.154 55 G CA 1.113 46.145 45.100 -0.113 0.000 0.767 55 G HN 0.458 nan 8.290 nan 0.000 0.552 56 L N -0.812 120.423 121.223 0.020 0.000 2.093 56 L HA 0.025 4.365 4.340 -0.000 0.000 0.208 56 L C 2.533 179.346 176.870 -0.095 0.000 1.085 56 L CA 0.843 55.690 54.840 0.012 0.000 0.755 56 L CB -0.350 41.781 42.059 0.119 0.000 0.904 56 L HN 0.271 nan 8.230 nan 0.000 0.435 57 F N 0.799 120.515 119.950 -0.391 0.000 2.146 57 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 57 F C 2.385 178.007 175.800 -0.296 0.000 1.096 57 F CA 1.093 58.724 58.000 -0.615 0.000 1.275 57 F CB -0.295 38.118 39.000 -0.979 0.000 1.008 57 F HN -0.029 nan 8.300 nan 0.000 0.480 58 A N 0.681 123.289 122.820 -0.354 0.000 1.898 58 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 58 A C 2.439 179.843 177.584 -0.301 0.000 1.181 58 A CA 1.653 53.471 52.037 -0.365 0.000 0.620 58 A CB -1.602 17.279 19.000 -0.197 0.000 0.819 58 A HN 0.506 nan 8.150 nan 0.000 0.442 59 A N -0.101 122.594 122.820 -0.208 0.000 1.986 59 A HA 0.084 4.404 4.320 -0.000 0.000 0.220 59 A C 2.453 179.935 177.584 -0.170 0.000 1.171 59 A CA 2.257 54.204 52.037 -0.151 0.000 0.640 59 A CB -0.912 18.029 19.000 -0.098 0.000 0.811 59 A HN 1.016 nan 8.150 nan 0.000 0.451 60 A N -0.513 122.168 122.820 -0.232 0.000 1.855 60 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 60 A C 1.942 179.379 177.584 -0.245 0.000 1.191 60 A CA 1.497 53.407 52.037 -0.212 0.000 0.613 60 A CB -0.497 18.369 19.000 -0.223 0.000 0.829 60 A HN 0.440 nan 8.150 nan 0.000 0.442 61 E N -0.035 119.920 120.200 -0.408 0.000 2.097 61 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 61 E C 2.268 178.764 176.600 -0.172 0.000 1.000 61 E CA 1.486 57.690 56.400 -0.327 0.000 0.804 61 E CB -0.560 28.866 29.700 -0.456 0.000 0.740 61 E HN 0.539 nan 8.360 nan 0.000 0.454 62 S N 0.174 115.780 115.700 -0.157 0.000 2.423 62 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 62 S C 1.789 176.366 174.600 -0.039 0.000 1.014 62 S CA 0.942 59.093 58.200 -0.082 0.000 0.965 62 S CB 0.022 63.169 63.200 -0.088 0.000 0.785 62 S HN 0.196 nan 8.310 nan 0.000 0.495 63 E N 0.220 120.384 120.200 -0.061 0.000 2.274 63 E HA 0.048 4.398 4.350 -0.000 0.000 0.194 63 E C 1.715 178.325 176.600 0.016 0.000 0.996 63 E CA 0.666 57.056 56.400 -0.017 0.000 0.840 63 E CB 0.005 29.681 29.700 -0.040 0.000 0.772 63 E HN 0.529 nan 8.360 nan 0.000 0.491 64 L N -0.232 120.978 121.223 -0.022 0.000 2.240 64 L HA -0.006 4.334 4.340 -0.000 0.000 0.211 64 L C 1.958 178.823 176.870 -0.009 0.000 1.106 64 L CA 0.468 55.297 54.840 -0.018 0.000 0.793 64 L CB 0.030 42.064 42.059 -0.042 0.000 0.927 64 L HN -0.013 nan 8.230 nan 0.000 0.446 65 S N -1.430 114.273 115.700 0.005 0.000 2.603 65 S HA -0.037 4.433 4.470 -0.000 0.000 0.220 65 S C 0.326 174.949 174.600 0.037 0.000 0.967 65 S CA -0.004 58.199 58.200 0.005 0.000 0.920 65 S CB -0.275 62.932 63.200 0.011 0.000 0.773 65 S HN 0.236 nan 8.310 nan 0.000 0.529 66 Y N 2.413 122.687 120.300 -0.044 0.000 2.404 66 Y HA 0.254 4.804 4.550 -0.000 0.000 0.344 66 Y C 0.949 176.797 175.900 -0.086 0.000 0.995 66 Y CA -0.975 57.116 58.100 -0.016 0.000 1.201 66 Y CB 0.575 39.050 38.460 0.025 0.000 1.151 66 Y HN -0.039 nan 8.280 nan 0.000 0.517 67 S N 4.683 119.986 115.700 -0.662 0.000 2.593 67 S HA 0.098 4.568 4.470 -0.000 0.000 0.217 67 S C -0.798 173.258 174.600 -0.906 0.000 0.966 67 S CA 0.124 57.863 58.200 -0.767 0.000 0.914 67 S CB -0.319 62.318 63.200 -0.939 0.000 0.776 67 S HN 0.550 nan 8.310 nan 0.000 0.523 68 Y N -0.003 119.985 120.300 -0.520 0.000 2.621 68 Y HA 0.630 5.180 4.550 -0.000 0.000 0.334 68 Y C 0.013 175.937 175.900 0.040 0.000 1.074 68 Y CA -1.487 56.478 58.100 -0.224 0.000 1.149 68 Y CB 0.649 38.959 38.460 -0.250 0.000 1.302 68 Y HN -0.090 nan 8.280 nan 0.000 0.501 69 M N 1.332 121.072 119.600 0.233 0.000 2.233 69 M HA 0.561 5.041 4.480 -0.000 0.000 0.355 69 M C -1.073 175.349 176.300 0.203 0.000 1.191 69 M CA 0.559 55.968 55.300 0.183 0.000 1.101 69 M CB 1.142 33.805 32.600 0.105 0.000 1.592 69 M HN 0.764 nan 8.290 nan 0.000 0.461 70 T N -0.287 114.368 114.554 0.168 0.000 3.003 70 T HA 0.203 4.553 4.350 -0.000 0.000 0.354 70 T C 0.338 175.072 174.700 0.057 0.000 1.651 70 T CA -0.829 61.337 62.100 0.111 0.000 1.103 70 T CB 1.249 70.195 68.868 0.130 0.000 1.450 70 T HN 0.695 nan 8.240 nan 0.000 0.484 71 T N -1.443 113.126 114.554 0.025 0.000 3.086 71 T HA 0.144 4.494 4.350 -0.000 0.000 0.250 71 T C 1.751 176.440 174.700 -0.018 0.000 1.074 71 T CA 0.074 62.178 62.100 0.006 0.000 0.988 71 T CB 0.055 68.926 68.868 0.005 0.000 0.988 71 T HN 0.302 nan 8.240 nan 0.000 0.530 72 V N 1.497 121.393 119.914 -0.030 0.000 2.548 72 V HA 0.238 4.358 4.120 -0.000 0.000 0.249 72 V C 1.652 177.690 176.094 -0.094 0.000 1.055 72 V CA 1.611 63.876 62.300 -0.058 0.000 1.065 72 V CB -0.929 30.856 31.823 -0.063 0.000 0.681 72 V HN 0.914 nan 8.190 nan 0.000 0.462 73 G N 0.229 108.952 108.800 -0.129 0.000 2.851 73 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.272 73 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.272 73 G C -0.596 174.171 174.900 -0.221 0.000 1.100 73 G CA -0.004 45.007 45.100 -0.148 0.000 1.197 73 G HN 0.532 nan 8.290 nan 0.000 0.561 74 V N 0.338 120.012 119.914 -0.399 0.000 2.789 74 V HA 0.980 5.100 4.120 -0.000 0.000 0.311 74 V C 0.778 176.532 176.094 -0.566 0.000 1.073 74 V CA -0.068 61.918 62.300 -0.524 0.000 0.921 74 V CB 2.081 33.401 31.823 -0.840 0.000 1.009 74 V HN 1.301 nan 8.190 nan 0.000 0.426 75 G N 1.259 109.902 108.800 -0.262 0.000 2.569 75 G HA2 0.748 4.708 3.960 -0.000 0.000 0.300 75 G HA3 0.748 4.708 3.960 -0.000 0.000 0.300 75 G C -0.187 174.765 174.900 0.086 0.000 1.269 75 G CA -0.105 44.961 45.100 -0.056 0.000 0.959 75 G HN 1.031 nan 8.290 nan 0.000 0.478 76 G N -1.250 107.645 108.800 0.158 0.000 2.606 76 G HA2 0.555 4.515 3.960 -0.000 0.000 0.262 76 G HA3 0.555 4.515 3.960 -0.000 0.000 0.262 76 G C -0.396 174.534 174.900 0.049 0.000 1.394 76 G CA -0.961 44.220 45.100 0.134 0.000 1.044 76 G HN 0.634 nan 8.290 nan 0.000 0.553 77 L N 0.720 121.967 121.223 0.041 0.000 2.312 77 L HA 0.544 4.884 4.340 -0.000 0.000 0.281 77 L C 0.954 177.843 176.870 0.033 0.000 1.070 77 L CA -0.751 54.105 54.840 0.027 0.000 0.805 77 L CB 1.379 43.464 42.059 0.043 0.000 1.174 77 L HN 0.544 nan 8.230 nan 0.000 0.434 78 A N 3.779 126.618 122.820 0.031 0.000 2.498 78 A HA 0.284 4.604 4.320 -0.000 0.000 0.239 78 A C -0.188 177.476 177.584 0.134 0.000 1.068 78 A CA -0.263 51.801 52.037 0.045 0.000 0.766 78 A CB 0.064 19.071 19.000 0.012 0.000 1.003 78 A HN 0.557 nan 8.150 nan 0.000 0.497 79 K N 2.784 123.202 120.400 0.031 0.000 2.211 79 K HA 0.248 4.567 4.320 -0.000 0.000 0.275 79 K C 0.819 177.333 176.600 -0.143 0.000 1.024 79 K CA -0.424 55.829 56.287 -0.057 0.000 0.887 79 K CB 1.591 34.061 32.500 -0.049 0.000 1.084 79 K HN 0.723 nan 8.250 nan 0.000 0.463 80 I N 0.933 121.260 120.570 -0.406 0.000 2.394 80 I HA -0.188 3.982 4.170 -0.000 0.000 0.251 80 I C -0.232 175.792 176.117 -0.156 0.000 1.136 80 I CA 0.953 62.005 61.300 -0.414 0.000 1.425 80 I CB 0.289 37.911 38.000 -0.630 0.000 1.079 80 I HN 0.486 nan 8.210 nan 0.000 0.425 81 D N 1.577 121.906 120.400 -0.118 0.000 2.455 81 D HA 0.193 4.833 4.640 -0.000 0.000 0.241 81 D C 1.090 177.378 176.300 -0.019 0.000 1.138 81 D CA 1.209 55.175 54.000 -0.057 0.000 0.877 81 D CB 0.622 41.392 40.800 -0.048 0.000 1.187 81 D HN 0.456 nan 8.370 nan 0.000 0.451 82 G N 2.186 110.988 108.800 0.003 0.000 2.187 82 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.261 82 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.261 82 G C 1.044 175.987 174.900 0.072 0.000 1.000 82 G CA 0.538 45.658 45.100 0.033 0.000 0.718 82 G HN 0.614 nan 8.290 nan 0.000 0.519 83 I N -0.216 120.397 120.570 0.071 0.000 2.394 83 I HA -0.056 4.114 4.170 -0.000 0.000 0.251 83 I C 2.467 178.692 176.117 0.181 0.000 1.136 83 I CA 1.965 63.349 61.300 0.140 0.000 1.425 83 I CB -0.050 38.014 38.000 0.107 0.000 1.079 83 I HN 0.477 nan 8.210 nan 0.000 0.425 84 E N 0.270 120.540 120.200 0.116 0.000 2.106 84 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 84 E C 2.140 178.846 176.600 0.176 0.000 0.984 84 E CA 1.060 57.539 56.400 0.132 0.000 0.806 84 E CB -0.352 29.397 29.700 0.082 0.000 0.750 84 E HN 0.643 nan 8.360 nan 0.000 0.458 85 G N 1.358 110.240 108.800 0.136 0.000 2.394 85 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.215 85 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.215 85 G C 1.584 176.572 174.900 0.147 0.000 1.165 85 G CA 0.219 45.390 45.100 0.118 0.000 0.784 85 G HN 0.056 nan 8.290 nan 0.000 0.535 86 R N -0.872 119.747 120.500 0.199 0.000 2.096 86 R HA 0.004 4.344 4.340 -0.000 0.000 0.235 86 R C 2.250 178.722 176.300 0.286 0.000 1.127 86 R CA 1.087 57.345 56.100 0.264 0.000 0.968 86 R CB -0.459 30.032 30.300 0.317 0.000 0.861 86 R HN 0.418 nan 8.270 nan 0.000 0.440 87 F N 1.840 121.827 119.950 0.062 0.000 2.234 87 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 87 F C 1.796 177.521 175.800 -0.125 0.000 1.087 87 F CA 1.380 59.202 58.000 -0.296 0.000 1.340 87 F CB 0.185 39.017 39.000 -0.280 0.000 1.031 87 F HN -0.056 nan 8.300 nan 0.000 0.500 88 E N -0.420 119.815 120.200 0.059 0.000 2.216 88 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 88 E C 2.221 178.796 176.600 -0.043 0.000 0.988 88 E CA 0.258 56.662 56.400 0.006 0.000 0.834 88 E CB -0.085 29.660 29.700 0.075 0.000 0.772 88 E HN 0.281 nan 8.360 nan 0.000 0.479 89 R N -0.124 120.379 120.500 0.005 0.000 2.090 89 R HA -0.141 4.199 4.340 -0.000 0.000 0.228 89 R C 1.988 178.282 176.300 -0.009 0.000 1.110 89 R CA 0.990 57.101 56.100 0.017 0.000 0.973 89 R CB -0.148 30.195 30.300 0.072 0.000 0.869 89 R HN 0.249 nan 8.270 nan 0.000 0.440 90 Y N 0.830 121.016 120.300 -0.189 0.000 2.373 90 Y HA -0.127 4.423 4.550 -0.000 0.000 0.293 90 Y C 1.764 177.471 175.900 -0.320 0.000 1.129 90 Y CA 0.936 58.889 58.100 -0.245 0.000 1.226 90 Y CB 0.088 38.320 38.460 -0.379 0.000 1.000 90 Y HN -0.002 nan 8.280 nan 0.000 0.549 91 I N 0.382 120.693 120.570 -0.433 0.000 2.162 91 I HA -0.182 3.988 4.170 -0.000 0.000 0.238 91 I C 2.714 178.663 176.117 -0.280 0.000 1.076 91 I CA 1.393 62.444 61.300 -0.415 0.000 1.353 91 I CB -1.940 35.883 38.000 -0.294 0.000 1.063 91 I HN 0.271 nan 8.210 nan 0.000 0.408 92 A N 0.583 123.296 122.820 -0.179 0.000 1.917 92 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 92 A C 2.008 179.515 177.584 -0.129 0.000 1.182 92 A CA 1.642 53.609 52.037 -0.116 0.000 0.633 92 A CB -0.538 18.421 19.000 -0.067 0.000 0.819 92 A HN 0.431 nan 8.150 nan 0.000 0.448 93 E N 0.270 120.378 120.200 -0.155 0.000 2.418 93 E HA -0.023 4.327 4.350 -0.000 0.000 0.197 93 E C 0.004 176.493 176.600 -0.185 0.000 1.026 93 E CA 0.384 56.704 56.400 -0.133 0.000 0.862 93 E CB -0.181 29.469 29.700 -0.084 0.000 0.799 93 E HN 0.619 nan 8.360 nan 0.000 0.518 94 N N 0.842 119.369 118.700 -0.289 0.000 2.599 94 N HA 0.123 4.863 4.740 -0.000 0.000 0.309 94 N C 0.521 175.910 175.510 -0.201 0.000 1.743 94 N CA -0.079 52.803 53.050 -0.280 0.000 0.918 94 N CB 0.677 38.875 38.487 -0.481 0.000 1.339 94 N HN 0.048 nan 8.380 nan 0.000 0.493 95 R N 0.470 120.889 120.500 -0.134 0.000 2.328 95 R HA -0.041 4.299 4.340 -0.000 0.000 0.207 95 R C 0.339 176.608 176.300 -0.052 0.000 1.056 95 R CA 0.808 56.857 56.100 -0.085 0.000 1.016 95 R CB -0.058 30.207 30.300 -0.059 0.000 0.872 95 R HN 0.307 nan 8.270 nan 0.000 0.471 96 D N 0.429 120.796 120.400 -0.054 0.000 2.427 96 D HA -0.007 4.633 4.640 -0.000 0.000 0.224 96 D C -0.270 176.019 176.300 -0.017 0.000 1.157 96 D CA -0.044 53.940 54.000 -0.026 0.000 0.828 96 D CB 0.258 41.044 40.800 -0.023 0.000 0.974 96 D HN 0.159 nan 8.370 nan 0.000 0.498 97 Q N 0.497 120.281 119.800 -0.026 0.000 2.321 97 Q HA 0.229 4.569 4.340 -0.000 0.000 0.270 97 Q C 0.363 176.375 176.000 0.020 0.000 1.032 97 Q CA -0.587 55.215 55.803 -0.002 0.000 0.784 97 Q CB 2.867 31.594 28.738 -0.019 0.000 1.264 97 Q HN -0.036 nan 8.270 nan 0.000 0.448 98 E N 2.631 122.860 120.200 0.048 0.000 2.038 98 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 98 E C 1.719 178.386 176.600 0.111 0.000 1.000 98 E CA 1.631 58.077 56.400 0.077 0.000 0.803 98 E CB -0.097 29.647 29.700 0.073 0.000 0.750 98 E HN 0.935 nan 8.360 nan 0.000 0.448 99 G N 0.736 109.593 108.800 0.095 0.000 2.529 99 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.219 99 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.219 99 G C 1.655 176.665 174.900 0.182 0.000 1.177 99 G CA 1.541 46.716 45.100 0.125 0.000 0.773 99 G HN 0.267 nan 8.290 nan 0.000 0.573 100 V N 0.586 120.556 119.914 0.094 0.000 2.343 100 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 100 V C 2.762 178.876 176.094 0.033 0.000 1.051 100 V CA 2.099 64.411 62.300 0.020 0.000 1.036 100 V CB -0.580 31.142 31.823 -0.168 0.000 0.654 100 V HN 0.353 nan 8.190 nan 0.000 0.451 101 R N -0.697 119.836 120.500 0.055 0.000 2.083 101 R HA -0.210 4.130 4.340 -0.000 0.000 0.237 101 R C 2.312 178.675 176.300 0.105 0.000 1.137 101 R CA 2.231 58.366 56.100 0.059 0.000 0.951 101 R CB -0.447 29.898 30.300 0.075 0.000 0.851 101 R HN 0.510 nan 8.270 nan 0.000 0.434 102 F N 1.465 121.449 119.950 0.058 0.000 2.069 102 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 102 F C 2.063 177.931 175.800 0.113 0.000 1.113 102 F CA 1.564 59.615 58.000 0.086 0.000 1.214 102 F CB -0.446 38.601 39.000 0.079 0.000 0.978 102 F HN -0.014 nan 8.300 nan 0.000 0.474 103 L N 0.112 121.474 121.223 0.232 0.000 1.997 103 L HA -0.285 4.055 4.340 -0.000 0.000 0.216 103 L C 2.815 179.800 176.870 0.192 0.000 1.074 103 L CA 1.693 56.680 54.840 0.244 0.000 0.763 103 L CB -1.798 40.461 42.059 0.334 0.000 0.890 103 L HN 0.409 nan 8.230 nan 0.000 0.434 104 G N -0.265 108.616 108.800 0.136 0.000 2.513 104 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 104 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 104 G C 1.650 176.587 174.900 0.062 0.000 1.160 104 G CA 0.725 45.901 45.100 0.128 0.000 0.767 104 G HN 0.179 nan 8.290 nan 0.000 0.571 105 K N 1.054 121.424 120.400 -0.050 0.000 2.057 105 K HA 0.003 4.323 4.320 -0.000 0.000 0.207 105 K C 2.926 179.468 176.600 -0.097 0.000 1.049 105 K CA 1.130 57.364 56.287 -0.089 0.000 0.931 105 K CB -0.884 31.516 32.500 -0.167 0.000 0.714 105 K HN 0.319 nan 8.250 nan 0.000 0.440 106 S N 1.780 117.366 115.700 -0.190 0.000 2.374 106 S HA -0.175 4.295 4.470 -0.000 0.000 0.227 106 S C 1.890 176.494 174.600 0.006 0.000 1.037 106 S CA 1.229 59.364 58.200 -0.108 0.000 1.024 106 S CB -0.391 62.792 63.200 -0.028 0.000 0.861 106 S HN 0.196 nan 8.310 nan 0.000 0.456 107 L N 1.849 123.155 121.223 0.138 0.000 1.970 107 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 107 L C 2.520 179.399 176.870 0.014 0.000 1.071 107 L CA 2.294 57.222 54.840 0.147 0.000 0.751 107 L CB -1.231 40.937 42.059 0.181 0.000 0.889 107 L HN 0.316 nan 8.230 nan 0.000 0.432 108 S N -1.702 114.020 115.700 0.036 0.000 2.369 108 S HA -0.361 4.109 4.470 -0.000 0.000 0.225 108 S C 2.122 176.708 174.600 -0.024 0.000 1.043 108 S CA 1.902 60.106 58.200 0.008 0.000 1.074 108 S CB -0.884 62.331 63.200 0.024 0.000 0.962 108 S HN 0.602 nan 8.310 nan 0.000 0.433 109 Y N 1.589 121.814 120.300 -0.126 0.000 2.114 109 Y HA -0.166 4.384 4.550 -0.000 0.000 0.282 109 Y C 2.346 178.131 175.900 -0.192 0.000 1.165 109 Y CA 2.135 60.151 58.100 -0.141 0.000 1.148 109 Y CB -0.591 37.781 38.460 -0.146 0.000 0.972 109 Y HN 0.174 nan 8.280 nan 0.000 0.504 110 V N 0.841 120.650 119.914 -0.175 0.000 2.453 110 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 110 V C 2.543 178.459 176.094 -0.296 0.000 1.048 110 V CA 2.169 64.250 62.300 -0.364 0.000 1.049 110 V CB -0.587 30.703 31.823 -0.887 0.000 0.672 110 V HN 0.369 nan 8.190 nan 0.000 0.457 111 R N 0.142 120.514 120.500 -0.213 0.000 2.066 111 R HA -0.092 4.248 4.340 -0.000 0.000 0.224 111 R C 1.826 178.048 176.300 -0.129 0.000 1.122 111 R CA 1.772 57.796 56.100 -0.128 0.000 0.974 111 R CB -0.285 29.980 30.300 -0.058 0.000 0.871 111 R HN 0.489 nan 8.270 nan 0.000 0.435 112 D N 0.277 120.592 120.400 -0.141 0.000 2.162 112 D HA -0.085 4.555 4.640 -0.000 0.000 0.205 112 D C 2.015 178.192 176.300 -0.204 0.000 0.964 112 D CA 0.818 54.736 54.000 -0.137 0.000 0.847 112 D CB 0.026 40.767 40.800 -0.099 0.000 0.988 112 D HN 0.179 nan 8.370 nan 0.000 0.480 113 Q N 0.082 119.670 119.800 -0.353 0.000 2.204 113 Q HA 0.167 4.507 4.340 -0.000 0.000 0.198 113 Q C 2.415 178.168 176.000 -0.412 0.000 0.946 113 Q CA 0.370 55.887 55.803 -0.476 0.000 0.859 113 Q CB 0.111 28.281 28.738 -0.947 0.000 0.946 113 Q HN 0.318 nan 8.270 nan 0.000 0.474 114 L N -0.799 120.181 121.223 -0.404 0.000 2.529 114 L HA 0.223 4.563 4.340 -0.000 0.000 0.223 114 L C 0.891 177.669 176.870 -0.154 0.000 1.113 114 L CA 0.491 55.187 54.840 -0.241 0.000 0.861 114 L CB -0.154 41.789 42.059 -0.193 0.000 1.012 114 L HN 0.334 nan 8.230 nan 0.000 0.461 115 G N 1.317 110.024 108.800 -0.155 0.000 2.221 115 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.265 115 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.265 115 G C 0.171 175.025 174.900 -0.076 0.000 1.041 115 G CA 0.171 45.211 45.100 -0.101 0.000 0.807 115 G HN 0.228 nan 8.290 nan 0.000 0.502 116 L N -0.774 120.396 121.223 -0.090 0.000 2.472 116 L HA 0.489 4.829 4.340 -0.000 0.000 0.256 116 L C 0.608 177.463 176.870 -0.026 0.000 1.111 116 L CA -1.006 53.803 54.840 -0.053 0.000 0.800 116 L CB 0.420 42.442 42.059 -0.063 0.000 1.286 116 L HN 0.067 nan 8.230 nan 0.000 0.479 117 D N 1.794 122.202 120.400 0.013 0.000 2.344 117 D HA 0.076 4.716 4.640 -0.000 0.000 0.253 117 D C -1.532 174.817 176.300 0.082 0.000 1.255 117 D CA -1.827 52.194 54.000 0.036 0.000 0.894 117 D CB 1.311 42.135 40.800 0.041 0.000 1.067 117 D HN 0.203 nan 8.370 nan 0.000 0.492 118 P HA -0.218 nan 4.420 nan 0.000 0.216 118 P C 1.036 178.399 177.300 0.105 0.000 1.153 118 P CA 1.233 64.404 63.100 0.118 0.000 0.858 118 P CB 0.297 32.033 31.700 0.060 0.000 0.789 119 A N 0.426 123.279 122.820 0.056 0.000 1.897 119 A HA 0.048 4.368 4.320 -0.000 0.000 0.215 119 A C 2.567 180.178 177.584 0.047 0.000 1.181 119 A CA 1.993 54.047 52.037 0.028 0.000 0.620 119 A CB -1.510 17.498 19.000 0.012 0.000 0.821 119 A HN 0.238 nan 8.150 nan 0.000 0.443 120 A N -0.836 122.028 122.820 0.073 0.000 1.902 120 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 120 A C 2.031 179.686 177.584 0.118 0.000 1.181 120 A CA 1.697 53.793 52.037 0.097 0.000 0.623 120 A CB -0.726 18.327 19.000 0.089 0.000 0.818 120 A HN 0.739 nan 8.150 nan 0.000 0.443 121 F N 0.815 120.753 119.950 -0.019 0.000 2.031 121 F HA -0.133 4.394 4.527 -0.000 0.000 0.295 121 F C 1.900 177.650 175.800 -0.083 0.000 1.133 121 F CA 1.806 59.777 58.000 -0.050 0.000 1.188 121 F CB -0.735 38.224 39.000 -0.069 0.000 0.974 121 F HN 0.127 nan 8.300 nan 0.000 0.473 122 L N -0.178 120.708 121.223 -0.562 0.000 2.081 122 L HA -0.298 4.042 4.340 -0.000 0.000 0.212 122 L C 2.770 179.442 176.870 -0.329 0.000 1.080 122 L CA 1.914 56.338 54.840 -0.693 0.000 0.754 122 L CB -1.150 40.580 42.059 -0.548 0.000 0.893 122 L HN 0.417 nan 8.230 nan 0.000 0.433 123 H N 0.025 118.958 119.070 -0.228 0.000 2.395 123 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 123 H C 2.202 177.444 175.328 -0.144 0.000 1.070 123 H CA 1.515 57.483 56.048 -0.134 0.000 1.356 123 H CB 0.425 30.145 29.762 -0.070 0.000 1.401 123 H HN 0.420 nan 8.280 nan 0.000 0.524 124 E N 0.074 120.173 120.200 -0.168 0.000 2.110 124 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 124 E C 1.931 178.385 176.600 -0.242 0.000 0.988 124 E CA 1.030 57.324 56.400 -0.177 0.000 0.804 124 E CB 0.192 29.863 29.700 -0.047 0.000 0.745 124 E HN 0.409 nan 8.360 nan 0.000 0.458 125 M N -0.113 119.277 119.600 -0.349 0.000 2.447 125 M HA -0.019 4.461 4.480 -0.000 0.000 0.264 125 M C 2.064 178.204 176.300 -0.266 0.000 1.095 125 M CA 0.531 55.630 55.300 -0.336 0.000 1.125 125 M CB 0.216 32.502 32.600 -0.523 0.000 1.389 125 M HN 0.094 nan 8.290 nan 0.000 0.459 126 V N 0.152 119.915 119.914 -0.253 0.000 2.575 126 V HA -0.157 3.963 4.120 -0.000 0.000 0.242 126 V C 1.857 177.809 176.094 -0.236 0.000 1.045 126 V CA 1.653 63.845 62.300 -0.180 0.000 1.065 126 V CB -0.226 31.555 31.823 -0.071 0.000 0.717 126 V HN 0.293 nan 8.190 nan 0.000 0.467 127 D N 0.507 120.691 120.400 -0.361 0.000 2.097 127 D HA -0.124 4.516 4.640 -0.000 0.000 0.195 127 D C 2.168 178.339 176.300 -0.215 0.000 0.989 127 D CA 1.643 55.433 54.000 -0.350 0.000 0.827 127 D CB -0.356 40.111 40.800 -0.555 0.000 0.966 127 D HN 0.344 nan 8.370 nan 0.000 0.456 128 G N 0.433 109.115 108.800 -0.197 0.000 2.440 128 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 128 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 128 G C 1.721 176.557 174.900 -0.108 0.000 1.154 128 G CA 0.556 45.580 45.100 -0.126 0.000 0.767 128 G HN 0.416 nan 8.290 nan 0.000 0.552 129 I N 0.110 120.581 120.570 -0.165 0.000 2.830 129 I HA 0.086 4.256 4.170 -0.000 0.000 0.263 129 I C 2.283 178.321 176.117 -0.131 0.000 1.230 129 I CA 0.320 61.501 61.300 -0.199 0.000 1.480 129 I CB 0.119 37.868 38.000 -0.417 0.000 1.095 129 I HN 0.122 nan 8.210 nan 0.000 0.455 130 L N 0.500 121.647 121.223 -0.126 0.000 2.313 130 L HA 0.087 4.427 4.340 -0.000 0.000 0.214 130 L C 1.562 178.390 176.870 -0.070 0.000 1.119 130 L CA 0.808 55.588 54.840 -0.099 0.000 0.809 130 L CB -0.585 41.406 42.059 -0.113 0.000 0.933 130 L HN 0.454 nan 8.230 nan 0.000 0.449 131 G N -0.110 108.650 108.800 -0.068 0.000 2.249 131 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.273 131 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.273 131 G C 0.747 175.591 174.900 -0.093 0.000 1.036 131 G CA 0.401 45.465 45.100 -0.060 0.000 0.824 131 G HN 0.588 nan 8.290 nan 0.000 0.504 132 C N -1.932 117.309 119.300 -0.098 0.000 2.696 132 C HA 0.470 4.930 4.460 -0.000 0.000 0.264 132 C C 0.711 175.632 174.990 -0.114 0.000 1.288 132 C CA -0.936 58.022 59.018 -0.100 0.000 1.717 132 C CB -0.557 27.140 27.740 -0.072 0.000 1.893 132 C HN 0.459 nan 8.230 nan 0.000 0.577 133 N N -0.748 117.882 118.700 -0.116 0.000 2.265 133 N HA 0.388 5.128 4.740 -0.000 0.000 0.300 133 N C -1.688 173.760 175.510 -0.104 0.000 1.148 133 N CA -0.298 52.702 53.050 -0.083 0.000 0.772 133 N CB 1.295 39.770 38.487 -0.019 0.000 1.434 133 N HN 0.244 nan 8.380 nan 0.000 0.481 134 Y N 0.894 121.203 120.300 0.015 0.000 2.397 134 Y HA 0.196 4.746 4.550 -0.000 0.000 0.335 134 Y C -1.470 174.447 175.900 0.028 0.000 1.213 134 Y CA -1.033 57.083 58.100 0.026 0.000 1.391 134 Y CB 0.056 38.537 38.460 0.034 0.000 1.293 134 Y HN 0.287 nan 8.280 nan 0.000 0.557 135 P HA 0.016 nan 4.420 nan 0.000 0.260 135 P C -1.121 176.255 177.300 0.127 0.000 1.185 135 P CA 0.310 63.491 63.100 0.135 0.000 0.763 135 P CB 0.430 32.212 31.700 0.137 0.000 0.776 136 V N 6.320 126.290 119.914 0.093 0.000 2.577 136 V HA 0.521 4.641 4.120 -0.000 0.000 0.303 136 V C -2.353 173.778 176.094 0.062 0.000 1.042 136 V CA -2.458 59.890 62.300 0.080 0.000 0.872 136 V CB 2.158 34.024 31.823 0.071 0.000 0.998 136 V HN 0.425 nan 8.190 nan 0.000 0.423 137 P HA 0.402 nan 4.420 nan 0.000 0.274 137 P C -2.503 174.834 177.300 0.060 0.000 1.256 137 P CA -1.569 61.566 63.100 0.057 0.000 0.795 137 P CB 0.544 32.266 31.700 0.036 0.000 1.038 138 P HA -0.049 nan 4.420 nan 0.000 0.220 138 P C 1.710 179.029 177.300 0.032 0.000 1.148 138 P CA 1.279 64.401 63.100 0.037 0.000 0.803 138 P CB -0.032 31.655 31.700 -0.021 0.000 0.782 139 R N -1.050 119.429 120.500 -0.035 0.000 2.096 139 R HA 0.064 4.404 4.340 -0.000 0.000 0.235 139 R C 0.653 177.065 176.300 0.186 0.000 1.127 139 R CA 1.152 57.231 56.100 -0.035 0.000 0.968 139 R CB -0.072 30.150 30.300 -0.129 0.000 0.861 139 R HN 0.118 nan 8.270 nan 0.000 0.440 140 M N -0.310 119.363 119.600 0.122 0.000 2.689 140 M HA 0.151 4.631 4.480 -0.000 0.000 0.274 140 M C -1.637 174.716 176.300 0.088 0.000 0.962 140 M CA -0.525 54.853 55.300 0.130 0.000 0.838 140 M CB 0.944 33.632 32.600 0.148 0.000 1.784 140 M HN -0.059 nan 8.290 nan 0.000 0.568 141 L N 3.629 124.899 121.223 0.078 0.000 2.516 141 L HA 0.011 4.351 4.340 -0.000 0.000 0.288 141 L C 1.475 178.384 176.870 0.066 0.000 1.246 141 L CA 0.416 55.294 54.840 0.063 0.000 0.844 141 L CB 0.099 42.187 42.059 0.048 0.000 1.106 141 L HN 0.854 nan 8.230 nan 0.000 0.509 142 N N 1.773 120.511 118.700 0.062 0.000 2.039 142 N HA -0.167 4.573 4.740 -0.000 0.000 0.193 142 N C 1.592 177.145 175.510 0.071 0.000 1.044 142 N CA 1.634 54.721 53.050 0.062 0.000 0.847 142 N CB 0.060 38.581 38.487 0.057 0.000 1.030 142 N HN 0.551 nan 8.380 nan 0.000 0.422 143 I N 0.475 121.100 120.570 0.090 0.000 2.406 143 I HA -0.126 4.044 4.170 -0.000 0.000 0.249 143 I C 2.262 178.442 176.117 0.105 0.000 1.122 143 I CA 0.376 61.739 61.300 0.106 0.000 1.431 143 I CB -0.174 37.935 38.000 0.182 0.000 1.087 143 I HN 0.065 nan 8.210 nan 0.000 0.424 144 S N 0.568 116.333 115.700 0.108 0.000 2.368 144 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 144 S C 1.921 176.572 174.600 0.086 0.000 1.030 144 S CA 1.672 59.926 58.200 0.090 0.000 0.999 144 S CB -0.351 62.884 63.200 0.059 0.000 0.844 144 S HN 0.513 nan 8.310 nan 0.000 0.459 145 E N 1.498 121.750 120.200 0.086 0.000 2.058 145 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 145 E C 1.826 178.482 176.600 0.093 0.000 0.997 145 E CA 1.235 57.691 56.400 0.094 0.000 0.801 145 E CB -0.063 29.688 29.700 0.085 0.000 0.746 145 E HN 0.437 nan 8.360 nan 0.000 0.450 146 K N 0.041 120.487 120.400 0.077 0.000 2.097 146 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 146 K C 2.275 178.925 176.600 0.083 0.000 1.050 146 K CA 1.330 57.657 56.287 0.067 0.000 0.938 146 K CB -0.106 32.419 32.500 0.042 0.000 0.718 146 K HN 0.261 nan 8.250 nan 0.000 0.442 147 I N 0.706 121.327 120.570 0.085 0.000 2.252 147 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 147 I C 2.202 178.414 176.117 0.158 0.000 1.102 147 I CA 0.921 62.285 61.300 0.107 0.000 1.385 147 I CB -0.124 37.920 38.000 0.074 0.000 1.064 147 I HN -0.092 nan 8.210 nan 0.000 0.414 148 V N 1.756 121.767 119.914 0.161 0.000 2.358 148 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 148 V C 2.612 178.864 176.094 0.263 0.000 1.047 148 V CA 2.123 64.572 62.300 0.248 0.000 1.035 148 V CB -0.905 31.060 31.823 0.236 0.000 0.658 148 V HN 0.515 nan 8.190 nan 0.000 0.452 149 R N 0.519 121.125 120.500 0.177 0.000 2.120 149 R HA -0.248 4.092 4.340 -0.000 0.000 0.234 149 R C 2.123 178.497 176.300 0.124 0.000 1.123 149 R CA 1.806 57.988 56.100 0.137 0.000 0.975 149 R CB -0.554 29.810 30.300 0.106 0.000 0.866 149 R HN 0.423 nan 8.270 nan 0.000 0.446 150 Q N 0.878 120.763 119.800 0.143 0.000 2.096 150 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 150 Q C 1.789 177.873 176.000 0.139 0.000 0.982 150 Q CA 1.980 57.865 55.803 0.136 0.000 0.850 150 Q CB -0.571 28.268 28.738 0.169 0.000 0.901 150 Q HN 0.657 nan 8.270 nan 0.000 0.422 151 Y N -0.525 119.818 120.300 0.071 0.000 2.200 151 Y HA -0.137 4.413 4.550 -0.000 0.000 0.290 151 Y C 1.673 177.545 175.900 -0.047 0.000 1.137 151 Y CA 1.301 59.428 58.100 0.045 0.000 1.163 151 Y CB -0.029 38.498 38.460 0.112 0.000 0.988 151 Y HN 0.107 nan 8.280 nan 0.000 0.518 152 I N 1.504 121.980 120.570 -0.157 0.000 2.252 152 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 152 I C 2.579 178.573 176.117 -0.204 0.000 1.102 152 I CA 1.798 62.905 61.300 -0.322 0.000 1.385 152 I CB -1.319 36.620 38.000 -0.101 0.000 1.064 152 I HN 0.533 nan 8.210 nan 0.000 0.414 153 I N -1.459 119.080 120.570 -0.051 0.000 2.394 153 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 153 I C 2.681 178.768 176.117 -0.049 0.000 1.136 153 I CA 1.123 62.430 61.300 0.012 0.000 1.425 153 I CB -0.468 37.567 38.000 0.057 0.000 1.079 153 I HN 0.098 nan 8.210 nan 0.000 0.425 154 R N 1.306 121.743 120.500 -0.105 0.000 2.062 154 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 154 R C 2.162 178.368 176.300 -0.156 0.000 1.136 154 R CA 1.558 57.594 56.100 -0.106 0.000 0.948 154 R CB -0.341 29.905 30.300 -0.090 0.000 0.845 154 R HN 0.487 nan 8.270 nan 0.000 0.430 155 E N -0.035 119.966 120.200 -0.332 0.000 2.358 155 E HA -0.032 4.318 4.350 -0.000 0.000 0.195 155 E C 1.617 178.168 176.600 -0.083 0.000 1.010 155 E CA 0.518 56.733 56.400 -0.309 0.000 0.856 155 E CB 0.106 29.430 29.700 -0.627 0.000 0.795 155 E HN 0.214 nan 8.360 nan 0.000 0.504 156 M N -0.636 118.927 119.600 -0.062 0.000 2.495 156 M HA 0.156 4.636 4.480 -0.000 0.000 0.237 156 M C 0.852 177.179 176.300 0.045 0.000 1.131 156 M CA 0.372 55.755 55.300 0.140 0.000 1.032 156 M CB -0.235 32.450 32.600 0.142 0.000 1.513 156 M HN 0.157 nan 8.290 nan 0.000 0.488 157 G N 1.297 110.098 108.800 0.001 0.000 2.198 157 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 157 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 157 G C 0.433 175.310 174.900 -0.037 0.000 1.025 157 G CA 0.365 45.444 45.100 -0.035 0.000 0.769 157 G HN 0.710 nan 8.290 nan 0.000 0.507 158 A N 0.184 122.998 122.820 -0.010 0.000 3.168 158 A HA 0.544 4.864 4.320 -0.000 0.000 0.260 158 A C 1.147 178.724 177.584 -0.013 0.000 1.598 158 A CA 0.430 52.458 52.037 -0.015 0.000 1.285 158 A CB 0.027 19.034 19.000 0.012 0.000 1.149 158 A HN 0.216 nan 8.150 nan 0.000 0.630 159 D N 0.800 121.188 120.400 -0.019 0.000 2.378 159 D HA 0.049 4.689 4.640 -0.000 0.000 0.227 159 D C 1.488 177.781 176.300 -0.013 0.000 1.012 159 D CA 1.211 55.204 54.000 -0.012 0.000 0.905 159 D CB 0.361 41.153 40.800 -0.013 0.000 0.895 159 D HN 0.580 nan 8.370 nan 0.000 0.532 160 A N -0.163 122.645 122.820 -0.020 0.000 2.259 160 A HA 0.204 4.524 4.320 -0.000 0.000 0.213 160 A C 1.009 178.586 177.584 -0.011 0.000 1.209 160 A CA -0.246 51.780 52.037 -0.019 0.000 0.910 160 A CB 0.448 19.431 19.000 -0.028 0.000 0.946 160 A HN 0.082 nan 8.150 nan 0.000 0.497 161 I N 2.969 123.530 120.570 -0.014 0.000 2.416 161 I HA 0.210 4.380 4.170 -0.000 0.000 0.288 161 I C -2.129 173.991 176.117 0.005 0.000 1.051 161 I CA -1.877 59.423 61.300 -0.002 0.000 1.375 161 I CB 1.274 39.263 38.000 -0.020 0.000 1.407 161 I HN 0.147 nan 8.210 nan 0.000 0.516 162 P HA 0.048 nan 4.420 nan 0.000 0.276 162 P C 0.554 177.851 177.300 -0.005 0.000 1.230 162 P CA -0.192 62.906 63.100 -0.003 0.000 0.776 162 P CB 1.502 33.198 31.700 -0.006 0.000 0.888 163 S N 2.737 118.443 115.700 0.009 0.000 2.407 163 S HA -0.212 4.258 4.470 -0.000 0.000 0.235 163 S C 1.353 175.959 174.600 0.011 0.000 1.036 163 S CA 1.962 60.175 58.200 0.022 0.000 1.013 163 S CB -0.575 62.640 63.200 0.025 0.000 0.820 163 S HN 0.690 nan 8.310 nan 0.000 0.476 164 E N -0.471 119.725 120.200 -0.007 0.000 2.494 164 E HA 0.186 4.536 4.350 -0.000 0.000 0.193 164 E C 1.269 177.840 176.600 -0.047 0.000 1.074 164 E CA 0.462 56.853 56.400 -0.014 0.000 0.867 164 E CB -0.034 29.659 29.700 -0.011 0.000 0.924 164 E HN 0.350 nan 8.360 nan 0.000 0.502 165 S N 0.300 115.941 115.700 -0.098 0.000 2.556 165 S HA 0.133 4.603 4.470 -0.000 0.000 0.216 165 S C 0.167 174.629 174.600 -0.230 0.000 0.970 165 S CA -0.298 57.749 58.200 -0.256 0.000 0.912 165 S CB 0.741 63.659 63.200 -0.469 0.000 0.790 165 S HN 0.077 nan 8.310 nan 0.000 0.504 166 V N 3.476 123.360 119.914 -0.050 0.000 2.384 166 V HA 0.417 4.537 4.120 -0.000 0.000 0.287 166 V C -0.481 175.651 176.094 0.064 0.000 1.020 166 V CA -0.914 61.426 62.300 0.067 0.000 0.850 166 V CB 1.465 33.379 31.823 0.151 0.000 0.987 166 V HN 0.265 nan 8.190 nan 0.000 0.436 167 N N 4.952 123.697 118.700 0.076 0.000 2.362 167 N HA 0.682 5.422 4.740 -0.000 0.000 0.298 167 N C -1.093 174.464 175.510 0.079 0.000 1.048 167 N CA -0.430 52.661 53.050 0.069 0.000 0.858 167 N CB 2.697 41.218 38.487 0.057 0.000 1.218 167 N HN 0.471 nan 8.380 nan 0.000 0.488 168 L N 1.416 122.697 121.223 0.097 0.000 2.342 168 L HA 0.549 4.889 4.340 -0.000 0.000 0.271 168 L C -0.898 176.099 176.870 0.211 0.000 1.008 168 L CA -0.961 53.957 54.840 0.130 0.000 0.818 168 L CB 1.744 43.883 42.059 0.133 0.000 1.296 168 L HN 0.381 nan 8.230 nan 0.000 0.427 169 F N 2.512 122.483 119.950 0.035 0.000 2.434 169 F HA 0.663 5.190 4.527 -0.000 0.000 0.355 169 F C 0.018 175.861 175.800 0.073 0.000 1.115 169 F CA -1.682 56.339 58.000 0.034 0.000 1.010 169 F CB 0.970 39.973 39.000 0.004 0.000 1.234 169 F HN 0.483 nan 8.300 nan 0.000 0.439 170 A N 6.489 129.449 122.820 0.234 0.000 2.484 170 A HA 0.552 4.872 4.320 -0.000 0.000 0.268 170 A C -0.420 177.042 177.584 -0.203 0.000 1.114 170 A CA 0.361 52.415 52.037 0.027 0.000 0.780 170 A CB -0.598 18.458 19.000 0.095 0.000 1.061 170 A HN 1.183 nan 8.150 nan 0.000 0.505 171 V N 0.750 120.509 119.914 -0.258 0.000 3.074 171 V HA 0.711 4.831 4.120 -0.000 0.000 0.314 171 V C 0.065 176.108 176.094 -0.085 0.000 1.117 171 V CA -0.979 61.161 62.300 -0.267 0.000 1.014 171 V CB 2.089 33.669 31.823 -0.405 0.000 1.057 171 V HN 0.798 nan 8.190 nan 0.000 0.438 172 E N 2.102 122.276 120.200 -0.043 0.000 1.972 172 E HA 0.473 4.823 4.350 -0.000 0.000 0.292 172 E C 0.506 177.093 176.600 -0.022 0.000 1.193 172 E CA 0.507 56.906 56.400 -0.002 0.000 1.228 172 E CB -0.374 29.349 29.700 0.038 0.000 1.167 172 E HN 1.865 nan 8.360 nan 0.000 0.479 173 G N 1.041 109.841 108.800 0.000 0.000 2.758 173 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.686 173 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.686 173 G C 0.773 175.657 174.900 -0.026 0.000 1.389 173 G CA -0.316 44.792 45.100 0.013 0.000 0.845 173 G HN 0.497 nan 8.290 nan 0.000 0.572 174 G N -0.708 108.092 108.800 -0.000 0.000 2.469 174 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.220 174 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.220 174 G C 1.910 176.831 174.900 0.035 0.000 1.136 174 G CA 2.448 47.560 45.100 0.022 0.000 0.759 174 G HN 1.336 nan 8.290 nan 0.000 0.562 175 T N 1.618 116.193 114.554 0.035 0.000 2.597 175 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 175 T C 2.816 177.457 174.700 -0.100 0.000 1.053 175 T CA 2.054 64.167 62.100 0.022 0.000 1.165 175 T CB -0.522 68.351 68.868 0.009 0.000 0.863 175 T HN 0.418 nan 8.240 nan 0.000 0.427 176 A N 1.324 124.020 122.820 -0.207 0.000 1.902 176 A HA 0.117 4.437 4.320 -0.000 0.000 0.217 176 A C 2.656 179.806 177.584 -0.723 0.000 1.181 176 A CA 2.034 53.755 52.037 -0.527 0.000 0.623 176 A CB -1.212 17.513 19.000 -0.458 0.000 0.818 176 A HN 0.537 nan 8.150 nan 0.000 0.443 177 A N -0.563 122.041 122.820 -0.359 0.000 1.869 177 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 177 A C 2.174 179.691 177.584 -0.111 0.000 1.203 177 A CA 2.413 54.324 52.037 -0.211 0.000 0.638 177 A CB -0.546 18.402 19.000 -0.088 0.000 0.831 177 A HN 0.434 nan 8.150 nan 0.000 0.450 178 M N -0.553 119.029 119.600 -0.029 0.000 2.175 178 M HA -0.045 4.435 4.480 -0.000 0.000 0.264 178 M C 2.511 178.894 176.300 0.139 0.000 1.063 178 M CA 1.325 56.675 55.300 0.083 0.000 1.119 178 M CB -1.845 30.857 32.600 0.170 0.000 1.377 178 M HN 0.498 nan 8.290 nan 0.000 0.415 179 A N 0.065 122.901 122.820 0.027 0.000 1.859 179 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 179 A C 2.004 179.720 177.584 0.220 0.000 1.198 179 A CA 1.753 53.842 52.037 0.088 0.000 0.629 179 A CB -1.192 17.790 19.000 -0.030 0.000 0.830 179 A HN 0.425 nan 8.150 nan 0.000 0.446 180 Y N -0.300 120.059 120.300 0.099 0.000 2.165 180 Y HA -0.131 4.419 4.550 -0.000 0.000 0.286 180 Y C 2.263 178.191 175.900 0.046 0.000 1.155 180 Y CA 0.545 58.697 58.100 0.086 0.000 1.164 180 Y CB -1.028 37.490 38.460 0.097 0.000 0.978 180 Y HN 0.249 nan 8.280 nan 0.000 0.513 181 I N -1.663 118.997 120.570 0.150 0.000 2.286 181 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 181 I C 2.007 178.040 176.117 -0.139 0.000 1.104 181 I CA 1.175 62.467 61.300 -0.014 0.000 1.397 181 I CB -0.447 37.467 38.000 -0.143 0.000 1.072 181 I HN 0.003 nan 8.210 nan 0.000 0.417 182 F N 0.870 120.727 119.950 -0.155 0.000 2.186 182 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 182 F C 2.622 178.264 175.800 -0.263 0.000 1.090 182 F CA 1.238 59.002 58.000 -0.393 0.000 1.307 182 F CB -0.275 38.287 39.000 -0.731 0.000 1.019 182 F HN -0.007 nan 8.300 nan 0.000 0.489 183 E N -0.161 120.134 120.200 0.160 0.000 2.110 183 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 183 E C 2.366 179.093 176.600 0.212 0.000 0.988 183 E CA 1.243 57.812 56.400 0.282 0.000 0.804 183 E CB -0.288 29.586 29.700 0.290 0.000 0.745 183 E HN 0.256 nan 8.360 nan 0.000 0.458 184 S N 0.537 116.335 115.700 0.165 0.000 2.377 184 S HA -0.001 4.469 4.470 -0.000 0.000 0.223 184 S C 2.137 176.924 174.600 0.311 0.000 1.030 184 S CA 0.347 58.656 58.200 0.181 0.000 0.970 184 S CB -0.056 63.148 63.200 0.006 0.000 0.830 184 S HN 0.160 nan 8.310 nan 0.000 0.473 185 L N 1.685 123.075 121.223 0.278 0.000 2.042 185 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 185 L C 2.536 179.503 176.870 0.161 0.000 1.076 185 L CA 1.430 56.387 54.840 0.195 0.000 0.749 185 L CB -0.455 41.602 42.059 -0.004 0.000 0.893 185 L HN 0.277 nan 8.230 nan 0.000 0.432 186 K N 0.769 121.269 120.400 0.168 0.000 2.001 186 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 186 K C 2.175 178.889 176.600 0.190 0.000 1.048 186 K CA 1.352 57.764 56.287 0.208 0.000 0.932 186 K CB -0.160 32.543 32.500 0.338 0.000 0.715 186 K HN 0.215 nan 8.250 nan 0.000 0.437 187 L N 1.236 122.577 121.223 0.197 0.000 2.127 187 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 187 L C 1.610 178.583 176.870 0.172 0.000 1.089 187 L CA 1.003 55.940 54.840 0.163 0.000 0.757 187 L CB -0.338 41.811 42.059 0.149 0.000 0.899 187 L HN 0.309 nan 8.230 nan 0.000 0.434 188 N N -0.231 118.598 118.700 0.214 0.000 2.270 188 N HA 0.049 4.789 4.740 -0.000 0.000 0.198 188 N C 1.299 176.901 175.510 0.152 0.000 1.117 188 N CA 0.870 54.051 53.050 0.219 0.000 0.845 188 N CB 0.987 39.664 38.487 0.317 0.000 0.980 188 N HN 0.418 nan 8.380 nan 0.000 0.486 189 G N 1.117 109.992 108.800 0.125 0.000 2.184 189 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.264 189 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.264 189 G C 0.874 175.810 174.900 0.061 0.000 0.975 189 G CA 0.163 45.315 45.100 0.087 0.000 0.642 189 G HN 0.352 nan 8.290 nan 0.000 0.536 190 L N -1.392 119.865 121.223 0.058 0.000 2.395 190 L HA 0.358 4.698 4.340 -0.000 0.000 0.218 190 L C 0.838 177.706 176.870 -0.003 0.000 1.130 190 L CA 0.552 55.391 54.840 -0.001 0.000 0.826 190 L CB 0.123 42.149 42.059 -0.055 0.000 0.941 190 L HN 0.215 nan 8.230 nan 0.000 0.451 191 L N 0.735 121.981 121.223 0.037 0.000 2.534 191 L HA 0.311 4.651 4.340 -0.000 0.000 0.259 191 L C -0.510 176.415 176.870 0.090 0.000 1.108 191 L CA -0.206 54.659 54.840 0.043 0.000 0.905 191 L CB 1.016 43.083 42.059 0.014 0.000 1.138 191 L HN -0.069 nan 8.230 nan 0.000 0.475 192 K N 1.975 122.422 120.400 0.079 0.000 2.218 192 K HA 0.688 5.008 4.320 -0.000 0.000 0.276 192 K C 0.391 177.052 176.600 0.101 0.000 1.022 192 K CA -0.386 55.956 56.287 0.090 0.000 0.946 192 K CB 1.061 33.601 32.500 0.066 0.000 1.000 192 K HN 0.602 nan 8.250 nan 0.000 0.468 193 A N 1.627 124.514 122.820 0.112 0.000 2.584 193 A HA 0.290 4.610 4.320 -0.000 0.000 0.239 193 A C 1.289 178.924 177.584 0.084 0.000 1.043 193 A CA 1.085 53.188 52.037 0.110 0.000 0.756 193 A CB -0.809 18.247 19.000 0.092 0.000 0.963 193 A HN 0.972 nan 8.150 nan 0.000 0.511 194 G N 2.065 110.916 108.800 0.086 0.000 2.259 194 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 194 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 194 G C -0.017 174.923 174.900 0.068 0.000 1.001 194 G CA 0.187 45.328 45.100 0.068 0.000 0.627 194 G HN 0.813 nan 8.290 nan 0.000 0.501 195 D N 1.456 121.901 120.400 0.075 0.000 2.399 195 D HA 0.378 5.018 4.640 -0.000 0.000 0.241 195 D C 0.641 176.989 176.300 0.079 0.000 1.133 195 D CA 0.413 54.453 54.000 0.067 0.000 0.890 195 D CB 0.713 41.551 40.800 0.063 0.000 1.201 195 D HN 0.332 nan 8.370 nan 0.000 0.432 196 K N 0.597 121.038 120.400 0.069 0.000 2.258 196 K HA 0.321 4.641 4.320 -0.000 0.000 0.284 196 K C -0.518 176.142 176.600 0.100 0.000 1.051 196 K CA -0.566 55.769 56.287 0.081 0.000 0.923 196 K CB 1.623 34.159 32.500 0.061 0.000 1.046 196 K HN 0.124 nan 8.250 nan 0.000 0.474 197 V N 3.270 123.267 119.914 0.138 0.000 2.313 197 V HA 0.520 4.640 4.120 -0.000 0.000 0.278 197 V C -0.441 175.781 176.094 0.214 0.000 1.017 197 V CA -0.539 61.873 62.300 0.187 0.000 0.823 197 V CB 0.802 32.771 31.823 0.243 0.000 1.010 197 V HN 0.854 nan 8.190 nan 0.000 0.443 198 A N 7.805 130.759 122.820 0.223 0.000 2.425 198 A HA 0.745 5.065 4.320 -0.000 0.000 0.249 198 A C -0.261 177.533 177.584 0.350 0.000 1.084 198 A CA -0.210 51.965 52.037 0.230 0.000 0.781 198 A CB 0.135 19.237 19.000 0.169 0.000 1.019 198 A HN 0.926 nan 8.150 nan 0.000 0.490 199 I N 1.605 122.330 120.570 0.259 0.000 2.533 199 I HA 0.383 4.553 4.170 -0.000 0.000 0.290 199 I C 0.722 176.928 176.117 0.148 0.000 1.056 199 I CA -0.643 60.783 61.300 0.209 0.000 1.057 199 I CB 2.260 40.355 38.000 0.158 0.000 1.240 199 I HN 0.747 nan 8.210 nan 0.000 0.423 200 G N 6.523 115.389 108.800 0.111 0.000 2.358 200 G HA2 0.566 4.526 3.960 -0.000 0.000 0.273 200 G HA3 0.566 4.526 3.960 -0.000 0.000 0.273 200 G C -0.593 174.418 174.900 0.186 0.000 1.215 200 G CA -0.184 44.948 45.100 0.053 0.000 0.910 200 G HN 0.466 nan 8.290 nan 0.000 0.467 201 M N 3.577 123.340 119.600 0.273 0.000 2.644 201 M HA 0.417 4.897 4.480 -0.000 0.000 0.304 201 M C -2.200 174.278 176.300 0.296 0.000 1.215 201 M CA -2.044 53.395 55.300 0.231 0.000 0.871 201 M CB 3.391 36.087 32.600 0.161 0.000 1.740 201 M HN 0.272 nan 8.290 nan 0.000 0.464 202 P HA 0.237 nan 4.420 nan 0.000 0.274 202 P C -1.418 175.885 177.300 0.004 0.000 1.231 202 P CA -0.329 62.806 63.100 0.058 0.000 0.790 202 P CB 1.256 32.944 31.700 -0.020 0.000 0.951 203 V N 4.213 124.133 119.914 0.009 0.000 2.841 203 V HA 0.414 4.534 4.120 -0.000 0.000 0.310 203 V C 0.009 176.143 176.094 0.067 0.000 1.090 203 V CA -1.311 60.980 62.300 -0.016 0.000 0.930 203 V CB 1.462 33.295 31.823 0.015 0.000 1.014 203 V HN 0.569 nan 8.190 nan 0.000 0.425 204 F N 2.936 122.758 119.950 -0.212 0.000 2.668 204 F HA 0.087 4.614 4.527 -0.000 0.000 0.338 204 F C 1.398 177.092 175.800 -0.178 0.000 1.194 204 F CA 0.362 58.226 58.000 -0.228 0.000 1.385 204 F CB -0.072 38.759 39.000 -0.282 0.000 1.088 204 F HN 0.566 nan 8.300 nan 0.000 0.624 205 T N 1.298 115.830 114.554 -0.036 0.000 2.665 205 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 205 T C -0.595 173.986 174.700 -0.197 0.000 1.035 205 T CA 2.021 64.048 62.100 -0.123 0.000 1.151 205 T CB -1.350 67.439 68.868 -0.132 0.000 0.862 205 T HN 0.569 nan 8.240 nan 0.000 0.438 206 P HA -0.080 nan 4.420 nan 0.000 0.222 206 P C 0.761 178.091 177.300 0.051 0.000 1.147 206 P CA 1.081 64.002 63.100 -0.300 0.000 0.790 206 P CB -0.175 31.231 31.700 -0.490 0.000 0.780 207 Y N -0.583 119.712 120.300 -0.007 0.000 2.544 207 Y HA 0.089 4.639 4.550 -0.000 0.000 0.286 207 Y C 2.357 178.322 175.900 0.109 0.000 1.141 207 Y CA -0.530 57.661 58.100 0.152 0.000 1.299 207 Y CB -0.819 37.678 38.460 0.063 0.000 1.030 207 Y HN -0.021 nan 8.280 nan 0.000 0.543 208 I N -0.926 119.759 120.570 0.191 0.000 2.867 208 I HA -0.108 4.062 4.170 -0.000 0.000 0.265 208 I C 1.661 177.833 176.117 0.092 0.000 1.162 208 I CA 0.711 62.090 61.300 0.132 0.000 1.471 208 I CB -0.107 37.945 38.000 0.087 0.000 1.123 208 I HN 0.129 nan 8.210 nan 0.000 0.440 209 E N 1.398 121.631 120.200 0.055 0.000 2.112 209 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 209 E C 2.279 178.889 176.600 0.016 0.000 0.979 209 E CA 0.881 57.296 56.400 0.026 0.000 0.814 209 E CB 0.071 29.768 29.700 -0.005 0.000 0.762 209 E HN 0.403 nan 8.360 nan 0.000 0.460 210 I N 1.604 122.167 120.570 -0.011 0.000 2.068 210 I HA -0.258 3.912 4.170 -0.000 0.000 0.238 210 I C -0.692 175.353 176.117 -0.118 0.000 1.046 210 I CA 1.519 62.749 61.300 -0.115 0.000 1.306 210 I CB -1.241 36.555 38.000 -0.339 0.000 1.023 210 I HN 0.055 nan 8.210 nan 0.000 0.399 211 P HA -0.208 nan 4.420 nan 0.000 0.218 211 P C 1.260 178.624 177.300 0.106 0.000 1.146 211 P CA 1.409 64.493 63.100 -0.027 0.000 0.813 211 P CB -0.081 31.677 31.700 0.096 0.000 0.778 212 E N -0.782 119.463 120.200 0.074 0.000 2.427 212 E HA -0.028 4.322 4.350 -0.000 0.000 0.196 212 E C 0.351 176.981 176.600 0.051 0.000 1.028 212 E CA -0.084 56.357 56.400 0.068 0.000 0.864 212 E CB -0.281 29.450 29.700 0.052 0.000 0.813 212 E HN 0.196 nan 8.360 nan 0.000 0.514 213 L N 0.205 121.457 121.223 0.050 0.000 2.467 213 L HA 0.033 4.373 4.340 -0.000 0.000 0.270 213 L C 1.542 178.385 176.870 -0.045 0.000 1.205 213 L CA 0.027 54.860 54.840 -0.012 0.000 0.828 213 L CB 0.750 42.777 42.059 -0.053 0.000 1.101 213 L HN 0.044 nan 8.230 nan 0.000 0.479 214 A N 1.545 124.326 122.820 -0.066 0.000 1.978 214 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 214 A C 2.094 179.603 177.584 -0.125 0.000 1.170 214 A CA 1.658 53.657 52.037 -0.062 0.000 0.636 214 A CB -0.594 18.375 19.000 -0.051 0.000 0.810 214 A HN 0.954 nan 8.150 nan 0.000 0.448 215 Q N -1.961 117.680 119.800 -0.266 0.000 2.234 215 Q HA -0.218 4.122 4.340 -0.000 0.000 0.206 215 Q C 1.386 177.063 176.000 -0.538 0.000 0.980 215 Q CA 2.115 57.641 55.803 -0.462 0.000 0.869 215 Q CB -0.129 28.190 28.738 -0.698 0.000 0.912 215 Q HN 0.879 nan 8.270 nan 0.000 0.436 216 Y N -1.905 118.426 120.300 0.052 0.000 2.594 216 Y HA 0.381 4.931 4.550 -0.000 0.000 0.283 216 Y C 0.912 176.855 175.900 0.071 0.000 1.140 216 Y CA -0.095 58.053 58.100 0.080 0.000 1.261 216 Y CB 0.376 38.893 38.460 0.095 0.000 1.358 216 Y HN 0.027 nan 8.280 nan 0.000 0.513 217 A N 1.617 124.539 122.820 0.171 0.000 2.519 217 A HA -0.207 4.113 4.320 -0.000 0.000 0.297 217 A C -0.557 177.107 177.584 0.134 0.000 1.472 217 A CA 0.427 52.534 52.037 0.116 0.000 0.739 217 A CB -2.467 16.576 19.000 0.073 0.000 1.096 217 A HN 0.404 nan 8.150 nan 0.000 0.414 218 L N -0.182 121.137 121.223 0.159 0.000 2.360 218 L HA 0.579 4.919 4.340 -0.000 0.000 0.271 218 L C 0.824 177.767 176.870 0.122 0.000 1.057 218 L CA -0.572 54.358 54.840 0.150 0.000 0.803 218 L CB 1.341 43.515 42.059 0.190 0.000 1.207 218 L HN 0.631 nan 8.230 nan 0.000 0.445 219 E N 1.793 122.058 120.200 0.108 0.000 2.200 219 E HA 0.191 4.541 4.350 -0.000 0.000 0.283 219 E C -1.014 175.652 176.600 0.109 0.000 1.015 219 E CA -0.496 55.961 56.400 0.094 0.000 0.819 219 E CB 0.940 30.685 29.700 0.074 0.000 1.081 219 E HN 0.510 nan 8.360 nan 0.000 0.397 220 E N 2.679 122.944 120.200 0.109 0.000 2.197 220 E HA 0.283 4.633 4.350 -0.000 0.000 0.281 220 E C -0.976 175.686 176.600 0.103 0.000 0.995 220 E CA -0.686 55.789 56.400 0.125 0.000 0.808 220 E CB 2.069 31.849 29.700 0.133 0.000 1.093 220 E HN 0.199 nan 8.360 nan 0.000 0.394 221 V N 2.497 122.476 119.914 0.108 0.000 2.384 221 V HA 0.418 4.538 4.120 -0.000 0.000 0.287 221 V C -0.039 176.108 176.094 0.089 0.000 1.020 221 V CA -0.738 61.611 62.300 0.081 0.000 0.850 221 V CB 1.432 33.294 31.823 0.065 0.000 0.987 221 V HN 0.789 nan 8.190 nan 0.000 0.436 222 A N 6.564 129.430 122.820 0.076 0.000 2.328 222 A HA 0.701 5.021 4.320 -0.000 0.000 0.284 222 A C -0.303 177.314 177.584 0.054 0.000 1.160 222 A CA -0.321 51.764 52.037 0.080 0.000 0.818 222 A CB 0.176 19.227 19.000 0.085 0.000 1.087 222 A HN 0.642 nan 8.150 nan 0.000 0.504 223 I N 4.009 124.602 120.570 0.039 0.000 2.347 223 I HA 0.130 4.299 4.170 -0.000 0.000 0.283 223 I C -0.431 175.722 176.117 0.059 0.000 1.058 223 I CA -0.435 60.843 61.300 -0.037 0.000 1.202 223 I CB 0.252 38.127 38.000 -0.207 0.000 1.386 223 I HN 0.563 nan 8.210 nan 0.000 0.475 224 N N 4.882 123.666 118.700 0.140 0.000 2.442 224 N HA 0.280 5.020 4.740 -0.000 0.000 0.265 224 N C 0.245 175.961 175.510 0.343 0.000 1.138 224 N CA -0.090 53.100 53.050 0.234 0.000 0.956 224 N CB 1.979 40.558 38.487 0.153 0.000 1.067 224 N HN 0.576 nan 8.380 nan 0.000 0.474 225 A N 1.589 124.664 122.820 0.426 0.000 2.388 225 A HA 0.120 4.440 4.320 -0.000 0.000 0.257 225 A C 0.102 177.764 177.584 0.129 0.000 1.095 225 A CA -0.341 51.874 52.037 0.297 0.000 0.791 225 A CB 0.248 19.392 19.000 0.241 0.000 1.029 225 A HN 0.622 nan 8.150 nan 0.000 0.489 226 D N 2.360 122.757 120.400 -0.006 0.000 2.392 226 D HA 0.455 5.095 4.640 -0.000 0.000 0.228 226 D C -1.947 174.109 176.300 -0.407 0.000 1.074 226 D CA -1.943 51.963 54.000 -0.156 0.000 0.838 226 D CB 1.434 42.193 40.800 -0.068 0.000 1.067 226 D HN 0.094 nan 8.370 nan 0.000 0.511 227 P HA -0.159 nan 4.420 nan 0.000 0.217 227 P C 1.002 177.975 177.300 -0.544 0.000 1.148 227 P CA 1.029 63.424 63.100 -1.175 0.000 0.834 227 P CB 0.269 31.404 31.700 -0.941 0.000 0.783 228 S N -1.167 114.351 115.700 -0.304 0.000 2.447 228 S HA -0.010 4.460 4.470 -0.000 0.000 0.233 228 S C 1.369 175.891 174.600 -0.131 0.000 1.006 228 S CA 0.812 58.913 58.200 -0.165 0.000 0.957 228 S CB -0.594 62.543 63.200 -0.105 0.000 0.773 228 S HN 0.186 nan 8.310 nan 0.000 0.507 229 L N 1.173 122.308 121.223 -0.147 0.000 2.818 229 L HA 0.312 4.652 4.340 -0.000 0.000 0.243 229 L C 0.090 176.917 176.870 -0.071 0.000 1.185 229 L CA -0.172 54.618 54.840 -0.083 0.000 0.988 229 L CB -0.363 41.664 42.059 -0.053 0.000 1.292 229 L HN 0.152 nan 8.230 nan 0.000 0.519 230 N N 0.378 119.008 118.700 -0.118 0.000 2.780 230 N HA -0.230 4.510 4.740 -0.000 0.000 0.248 230 N C -0.381 175.217 175.510 0.147 0.000 1.102 230 N CA 0.684 53.730 53.050 -0.007 0.000 0.697 230 N CB -1.337 37.173 38.487 0.039 0.000 1.028 230 N HN 0.474 nan 8.380 nan 0.000 0.554 231 W N -2.429 118.802 121.300 -0.115 0.000 4.141 231 W HA -0.275 4.385 4.660 -0.000 0.000 0.336 231 W C 0.594 176.956 176.519 -0.261 0.000 1.258 231 W CA 0.180 57.421 57.345 -0.173 0.000 0.747 231 W CB -1.764 27.585 29.460 -0.184 0.000 2.338 231 W HN 0.196 nan 8.180 nan 0.000 1.410 232 Q N -0.237 119.541 119.800 -0.036 0.000 2.256 232 Q HA 0.350 4.690 4.340 -0.000 0.000 0.232 232 Q C -0.099 175.812 176.000 -0.147 0.000 0.965 232 Q CA -0.557 55.161 55.803 -0.142 0.000 0.908 232 Q CB 0.573 29.289 28.738 -0.037 0.000 1.209 232 Q HN 0.236 nan 8.270 nan 0.000 0.489 233 Y N 1.494 121.852 120.300 0.098 0.000 2.327 233 Y HA 0.242 4.792 4.550 -0.000 0.000 0.336 233 Y C -1.664 174.260 175.900 0.041 0.000 1.035 233 Y CA -1.918 56.228 58.100 0.078 0.000 1.165 233 Y CB 0.706 39.221 38.460 0.091 0.000 1.181 233 Y HN 0.331 nan 8.280 nan 0.000 0.494 234 P HA 0.048 nan 4.420 nan 0.000 0.279 234 P C -0.124 177.218 177.300 0.071 0.000 1.252 234 P CA -0.337 62.816 63.100 0.088 0.000 0.811 234 P CB 1.381 33.111 31.700 0.051 0.000 1.035 235 D N 0.659 121.085 120.400 0.042 0.000 2.133 235 D HA -0.186 4.454 4.640 -0.000 0.000 0.192 235 D C 1.889 178.189 176.300 0.000 0.000 1.001 235 D CA 2.242 56.253 54.000 0.018 0.000 0.844 235 D CB -0.399 40.407 40.800 0.009 0.000 0.944 235 D HN 0.468 nan 8.370 nan 0.000 0.447 236 S N 0.884 116.586 115.700 0.004 0.000 2.370 236 S HA -0.219 4.251 4.470 -0.000 0.000 0.226 236 S C 1.949 176.543 174.600 -0.010 0.000 1.033 236 S CA 1.199 59.395 58.200 -0.006 0.000 1.011 236 S CB -0.209 62.991 63.200 0.000 0.000 0.852 236 S HN 0.034 nan 8.310 nan 0.000 0.457 237 E N 1.599 121.805 120.200 0.011 0.000 2.047 237 E HA 0.075 4.425 4.350 -0.000 0.000 0.191 237 E C 1.992 178.558 176.600 -0.058 0.000 0.987 237 E CA 1.184 57.588 56.400 0.007 0.000 0.799 237 E CB -0.545 29.200 29.700 0.076 0.000 0.752 237 E HN 0.644 nan 8.360 nan 0.000 0.449 238 L N 0.546 121.732 121.223 -0.061 0.000 2.217 238 L HA -0.110 4.230 4.340 -0.000 0.000 0.211 238 L C 1.563 178.344 176.870 -0.148 0.000 1.107 238 L CA 0.850 55.599 54.840 -0.153 0.000 0.783 238 L CB -0.337 41.663 42.059 -0.097 0.000 0.919 238 L HN 0.041 nan 8.230 nan 0.000 0.442 239 D N 0.606 120.950 120.400 -0.093 0.000 2.309 239 D HA -0.133 4.507 4.640 -0.000 0.000 0.212 239 D C 1.978 178.213 176.300 -0.107 0.000 0.968 239 D CA 0.821 54.763 54.000 -0.098 0.000 0.882 239 D CB 0.015 40.767 40.800 -0.078 0.000 0.918 239 D HN 0.289 nan 8.370 nan 0.000 0.503 240 K N 0.053 120.392 120.400 -0.102 0.000 2.280 240 K HA -0.052 4.268 4.320 -0.000 0.000 0.202 240 K C 2.017 178.554 176.600 -0.104 0.000 1.047 240 K CA 0.326 56.561 56.287 -0.088 0.000 0.942 240 K CB 0.031 32.487 32.500 -0.072 0.000 0.739 240 K HN 0.225 nan 8.250 nan 0.000 0.457 241 L N 0.952 122.085 121.223 -0.150 0.000 2.191 241 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 241 L C 1.991 178.805 176.870 -0.093 0.000 1.103 241 L CA 1.148 55.900 54.840 -0.147 0.000 0.769 241 L CB -0.339 41.581 42.059 -0.231 0.000 0.908 241 L HN 0.121 nan 8.230 nan 0.000 0.438 242 K N -0.163 120.176 120.400 -0.102 0.000 2.286 242 K HA -0.185 4.135 4.320 -0.000 0.000 0.203 242 K C 0.644 177.204 176.600 -0.066 0.000 1.045 242 K CA 0.624 56.852 56.287 -0.099 0.000 0.935 242 K CB -0.396 31.992 32.500 -0.188 0.000 0.737 242 K HN 0.225 nan 8.250 nan 0.000 0.460 243 D N 1.478 121.843 120.400 -0.058 0.000 2.412 243 D HA -0.032 4.608 4.640 -0.000 0.000 0.257 243 D C -1.527 174.760 176.300 -0.023 0.000 1.217 243 D CA -1.900 52.079 54.000 -0.036 0.000 0.897 243 D CB 1.095 41.879 40.800 -0.027 0.000 1.132 243 D HN -0.007 nan 8.370 nan 0.000 0.493 244 P HA -0.062 nan 4.420 nan 0.000 0.234 244 P C 0.695 177.992 177.300 -0.005 0.000 1.167 244 P CA 0.447 63.542 63.100 -0.010 0.000 0.763 244 P CB 0.212 31.908 31.700 -0.006 0.000 0.835 245 A N -0.131 122.689 122.820 -0.001 0.000 2.123 245 A HA 0.080 4.400 4.320 -0.000 0.000 0.214 245 A C 1.388 178.981 177.584 0.015 0.000 1.152 245 A CA 0.050 52.092 52.037 0.008 0.000 0.728 245 A CB -0.789 18.218 19.000 0.012 0.000 0.814 245 A HN 0.149 nan 8.150 nan 0.000 0.464 246 I N 1.186 121.763 120.570 0.013 0.000 2.389 246 I HA 0.037 4.207 4.170 -0.000 0.000 0.295 246 I C 0.848 176.978 176.117 0.021 0.000 1.117 246 I CA -0.449 60.867 61.300 0.027 0.000 1.317 246 I CB 0.961 38.973 38.000 0.020 0.000 1.431 246 I HN 0.098 nan 8.210 nan 0.000 0.521 247 K N 5.831 126.246 120.400 0.025 0.000 2.167 247 K HA 0.235 4.555 4.320 -0.000 0.000 0.203 247 K C 0.402 177.001 176.600 -0.002 0.000 1.052 247 K CA 0.912 57.198 56.287 -0.001 0.000 0.956 247 K CB 0.546 33.045 32.500 -0.002 0.000 0.735 247 K HN 0.543 nan 8.250 nan 0.000 0.451 248 I N -0.653 119.948 120.570 0.052 0.000 2.827 248 I HA 0.249 4.419 4.170 -0.000 0.000 0.298 248 I C -1.696 174.555 176.117 0.223 0.000 1.235 248 I CA -1.202 60.148 61.300 0.083 0.000 1.021 248 I CB 1.905 39.915 38.000 0.018 0.000 1.259 248 I HN -0.208 nan 8.210 nan 0.000 0.427 249 F N 8.340 128.328 119.950 0.064 0.000 2.361 249 F HA 0.478 5.005 4.527 -0.000 0.000 0.364 249 F C -1.545 174.383 175.800 0.214 0.000 1.117 249 F CA -1.225 56.838 58.000 0.104 0.000 1.071 249 F CB 0.867 39.902 39.000 0.058 0.000 1.188 249 F HN 0.265 nan 8.300 nan 0.000 0.464 250 F N 7.750 127.683 119.950 -0.027 0.000 2.405 250 F HA 0.588 5.115 4.527 -0.000 0.000 0.355 250 F C -0.695 174.929 175.800 -0.292 0.000 1.121 250 F CA -1.484 56.434 58.000 -0.137 0.000 1.112 250 F CB 0.560 39.598 39.000 0.063 0.000 1.126 250 F HN 0.683 nan 8.300 nan 0.000 0.481 251 C N 5.975 125.159 119.300 -0.193 0.000 3.285 251 C HA 0.806 5.266 4.460 -0.000 0.000 0.325 251 C C -1.787 173.143 174.990 -0.100 0.000 1.304 251 C CA -0.507 58.310 59.018 -0.335 0.000 1.319 251 C CB 1.259 28.570 27.740 -0.714 0.000 1.640 251 C HN 0.590 nan 8.230 nan 0.000 0.477 252 V N 4.851 124.757 119.914 -0.013 0.000 2.349 252 V HA 0.517 4.637 4.120 -0.000 0.000 0.284 252 V C -0.548 175.615 176.094 0.116 0.000 1.014 252 V CA -0.099 62.238 62.300 0.061 0.000 0.826 252 V CB 1.176 32.996 31.823 -0.004 0.000 1.009 252 V HN 0.814 nan 8.190 nan 0.000 0.431 253 N N 6.241 125.045 118.700 0.174 0.000 2.430 253 N HA 0.558 5.298 4.740 -0.000 0.000 0.290 253 N C -3.074 172.597 175.510 0.268 0.000 1.063 253 N CA -1.709 51.498 53.050 0.262 0.000 0.883 253 N CB 3.256 41.945 38.487 0.338 0.000 1.465 253 N HN 0.210 nan 8.380 nan 0.000 0.493 254 P HA 0.024 nan 4.420 nan 0.000 0.267 254 P C -0.532 176.833 177.300 0.109 0.000 1.201 254 P CA -0.063 63.116 63.100 0.132 0.000 0.775 254 P CB 0.438 32.166 31.700 0.046 0.000 0.854 255 S N 1.445 117.158 115.700 0.021 0.000 2.601 255 S HA 0.366 4.836 4.470 -0.000 0.000 0.271 255 S C -0.087 174.421 174.600 -0.153 0.000 1.305 255 S CA -0.461 57.713 58.200 -0.042 0.000 1.022 255 S CB 0.359 63.519 63.200 -0.067 0.000 0.940 255 S HN 0.449 nan 8.310 nan 0.000 0.525 256 N N 1.498 120.069 118.700 -0.214 0.000 2.410 256 N HA 0.420 5.160 4.740 -0.000 0.000 0.287 256 N C -2.144 173.138 175.510 -0.379 0.000 1.044 256 N CA -2.329 50.517 53.050 -0.340 0.000 0.881 256 N CB 2.146 40.389 38.487 -0.406 0.000 1.405 256 N HN 0.367 nan 8.380 nan 0.000 0.490 257 P HA 0.208 nan 4.420 nan 0.000 0.226 257 P C -1.490 175.553 177.300 -0.428 0.000 1.161 257 P CA 0.578 63.392 63.100 -0.476 0.000 0.804 257 P CB 0.006 31.439 31.700 -0.444 0.000 0.829 258 P HA -0.171 nan 4.420 nan 0.000 0.217 258 P C 0.601 177.650 177.300 -0.418 0.000 1.158 258 P CA 2.129 64.790 63.100 -0.731 0.000 0.887 258 P CB -0.480 30.774 31.700 -0.744 0.000 0.792 259 S N -2.059 113.476 115.700 -0.275 0.000 3.978 259 S HA -0.033 4.437 4.470 -0.000 0.000 0.402 259 S C -0.281 174.227 174.600 -0.153 0.000 0.927 259 S CA 0.225 58.297 58.200 -0.213 0.000 1.197 259 S CB -1.994 61.101 63.200 -0.175 0.000 0.855 259 S HN 0.174 nan 8.310 nan 0.000 0.524 260 V N -0.022 119.829 119.914 -0.106 0.000 3.048 260 V HA 0.799 4.919 4.120 -0.000 0.000 0.303 260 V C -0.188 175.922 176.094 0.025 0.000 1.214 260 V CA -0.779 61.502 62.300 -0.031 0.000 0.984 260 V CB 1.789 33.602 31.823 -0.017 0.000 1.054 260 V HN 0.634 nan 8.190 nan 0.000 0.430 261 K N 3.230 123.687 120.400 0.096 0.000 2.090 261 K HA 0.707 5.027 4.320 -0.000 0.000 0.250 261 K C -0.227 176.452 176.600 0.132 0.000 1.004 261 K CA -0.815 55.593 56.287 0.202 0.000 0.919 261 K CB 1.239 33.941 32.500 0.337 0.000 1.045 261 K HN 0.721 nan 8.250 nan 0.000 0.471 262 M N 3.440 123.136 119.600 0.160 0.000 2.217 262 M HA 0.007 4.487 4.480 -0.000 0.000 0.352 262 M C -0.329 176.016 176.300 0.074 0.000 1.376 262 M CA -0.315 55.056 55.300 0.117 0.000 1.107 262 M CB 0.399 33.112 32.600 0.188 0.000 1.723 262 M HN 0.789 nan 8.290 nan 0.000 0.461 263 D N 2.320 122.753 120.400 0.055 0.000 2.384 263 D HA -0.002 4.638 4.640 -0.000 0.000 0.244 263 D C 0.573 176.890 176.300 0.029 0.000 1.251 263 D CA -0.155 53.867 54.000 0.036 0.000 0.961 263 D CB 0.588 41.405 40.800 0.029 0.000 1.116 263 D HN 0.579 nan 8.370 nan 0.000 0.484 264 Q N -0.925 118.884 119.800 0.015 0.000 2.096 264 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 264 Q C 2.188 178.198 176.000 0.018 0.000 0.982 264 Q CA 1.755 57.562 55.803 0.007 0.000 0.850 264 Q CB -0.138 28.601 28.738 0.000 0.000 0.901 264 Q HN 0.512 nan 8.270 nan 0.000 0.422 265 R N 0.086 120.600 120.500 0.023 0.000 2.083 265 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 265 R C 2.101 178.427 176.300 0.043 0.000 1.137 265 R CA 1.873 57.989 56.100 0.027 0.000 0.951 265 R CB -0.209 30.106 30.300 0.025 0.000 0.851 265 R HN 0.166 nan 8.270 nan 0.000 0.434 266 S N 1.299 117.038 115.700 0.065 0.000 2.348 266 S HA -0.125 4.345 4.470 -0.000 0.000 0.221 266 S C 2.008 176.666 174.600 0.097 0.000 1.033 266 S CA 1.401 59.664 58.200 0.105 0.000 1.010 266 S CB -0.303 62.996 63.200 0.165 0.000 0.891 266 S HN 0.279 nan 8.310 nan 0.000 0.442 267 L N 1.173 122.443 121.223 0.079 0.000 1.971 267 L HA -0.200 4.140 4.340 -0.000 0.000 0.215 267 L C 2.812 179.707 176.870 0.042 0.000 1.072 267 L CA 1.914 56.791 54.840 0.063 0.000 0.758 267 L CB -0.796 41.274 42.059 0.019 0.000 0.889 267 L HN 0.318 nan 8.230 nan 0.000 0.433 268 E N 0.693 120.908 120.200 0.024 0.000 2.130 268 E HA -0.288 4.062 4.350 -0.000 0.000 0.196 268 E C 2.093 178.704 176.600 0.019 0.000 0.998 268 E CA 1.587 57.996 56.400 0.014 0.000 0.806 268 E CB -0.137 29.568 29.700 0.008 0.000 0.738 268 E HN 0.142 nan 8.360 nan 0.000 0.459 269 R N -0.280 120.235 120.500 0.027 0.000 2.073 269 R HA -0.056 4.284 4.340 -0.000 0.000 0.234 269 R C 2.272 178.581 176.300 0.015 0.000 1.134 269 R CA 1.632 57.745 56.100 0.022 0.000 0.952 269 R CB -0.650 29.664 30.300 0.023 0.000 0.850 269 R HN 0.194 nan 8.270 nan 0.000 0.433 270 V N 0.877 120.804 119.914 0.021 0.000 2.407 270 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 270 V C 2.523 178.630 176.094 0.023 0.000 1.055 270 V CA 2.161 64.468 62.300 0.013 0.000 1.049 270 V CB -0.676 31.188 31.823 0.068 0.000 0.662 270 V HN 0.384 nan 8.190 nan 0.000 0.455 271 R N 0.742 121.256 120.500 0.024 0.000 2.070 271 R HA -0.249 4.091 4.340 -0.000 0.000 0.233 271 R C 2.268 178.568 176.300 0.000 0.000 1.137 271 R CA 2.372 58.477 56.100 0.008 0.000 0.945 271 R CB -0.478 29.821 30.300 -0.002 0.000 0.845 271 R HN 0.625 nan 8.270 nan 0.000 0.430 272 N N 0.381 119.085 118.700 0.007 0.000 2.104 272 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 272 N C 1.800 177.333 175.510 0.039 0.000 1.024 272 N CA 1.835 54.890 53.050 0.008 0.000 0.853 272 N CB -0.153 38.349 38.487 0.025 0.000 1.008 272 N HN 0.293 nan 8.380 nan 0.000 0.424 273 I N -0.506 120.108 120.570 0.074 0.000 2.286 273 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 273 I C 1.831 177.995 176.117 0.078 0.000 1.115 273 I CA 0.709 62.091 61.300 0.136 0.000 1.392 273 I CB -0.207 37.816 38.000 0.039 0.000 1.065 273 I HN 0.097 nan 8.210 nan 0.000 0.418 274 V N 0.908 120.835 119.914 0.022 0.000 2.379 274 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 274 V C 2.696 178.771 176.094 -0.031 0.000 1.044 274 V CA 1.828 64.127 62.300 -0.002 0.000 1.036 274 V CB -0.820 31.001 31.823 -0.004 0.000 0.664 274 V HN 0.451 nan 8.190 nan 0.000 0.453 275 A N -0.264 122.528 122.820 -0.046 0.000 1.873 275 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 275 A C 2.166 179.671 177.584 -0.132 0.000 1.186 275 A CA 1.629 53.620 52.037 -0.077 0.000 0.616 275 A CB -0.296 18.663 19.000 -0.069 0.000 0.823 275 A HN 0.544 nan 8.150 nan 0.000 0.442 276 E N -1.374 118.698 120.200 -0.214 0.000 2.276 276 E HA 0.003 4.353 4.350 -0.000 0.000 0.193 276 E C 1.129 177.350 176.600 -0.631 0.000 0.983 276 E CA 0.853 56.968 56.400 -0.475 0.000 0.861 276 E CB -0.030 29.242 29.700 -0.712 0.000 0.817 276 E HN 0.842 nan 8.360 nan 0.000 0.485 277 H N -1.128 117.922 119.070 -0.033 0.000 3.207 277 H HA 0.289 4.845 4.556 -0.000 0.000 0.237 277 H C 0.540 175.845 175.328 -0.037 0.000 0.959 277 H CA -0.110 55.918 56.048 -0.033 0.000 1.091 277 H CB 1.232 30.974 29.762 -0.033 0.000 1.447 277 H HN -0.163 nan 8.280 nan 0.000 0.477 278 R N 2.016 122.558 120.500 0.071 0.000 2.738 278 R HA 0.198 4.538 4.340 -0.000 0.000 0.280 278 R C -2.149 174.140 176.300 -0.019 0.000 1.456 278 R CA -1.627 54.483 56.100 0.017 0.000 1.612 278 R CB 0.590 30.897 30.300 0.012 0.000 1.286 278 R HN 0.258 nan 8.270 nan 0.000 0.660 279 P HA -0.132 nan 4.420 nan 0.000 0.228 279 P C 0.249 177.503 177.300 -0.077 0.000 1.151 279 P CA 1.156 64.222 63.100 -0.055 0.000 0.770 279 P CB 0.387 32.053 31.700 -0.056 0.000 0.786 280 D N -1.304 119.050 120.400 -0.077 0.000 2.389 280 D HA 0.015 4.655 4.640 -0.000 0.000 0.206 280 D C 0.896 177.115 176.300 -0.136 0.000 1.055 280 D CA -0.360 53.574 54.000 -0.110 0.000 0.856 280 D CB -0.591 40.158 40.800 -0.085 0.000 0.957 280 D HN 0.111 nan 8.370 nan 0.000 0.509 281 L N 1.444 122.611 121.223 -0.094 0.000 2.499 281 L HA 0.141 4.481 4.340 -0.000 0.000 0.273 281 L C -0.010 176.784 176.870 -0.127 0.000 1.195 281 L CA 0.223 55.016 54.840 -0.078 0.000 0.882 281 L CB 0.458 42.504 42.059 -0.022 0.000 1.133 281 L HN -0.086 nan 8.230 nan 0.000 0.483 282 M N 6.048 125.562 119.600 -0.143 0.000 2.342 282 M HA 0.455 4.935 4.480 -0.000 0.000 0.332 282 M C -0.680 175.634 176.300 0.023 0.000 1.166 282 M CA -0.263 54.905 55.300 -0.220 0.000 1.086 282 M CB 1.332 33.746 32.600 -0.310 0.000 1.541 282 M HN 0.465 nan 8.290 nan 0.000 0.462 283 I N 3.241 123.879 120.570 0.113 0.000 2.499 283 I HA 0.365 4.535 4.170 -0.000 0.000 0.288 283 I C -1.422 174.817 176.117 0.203 0.000 1.048 283 I CA -0.861 60.552 61.300 0.188 0.000 1.062 283 I CB 2.201 40.334 38.000 0.221 0.000 1.238 283 I HN 0.456 nan 8.210 nan 0.000 0.426 284 L N 6.080 127.358 121.223 0.091 0.000 2.353 284 L HA 0.523 4.863 4.340 -0.000 0.000 0.270 284 L C -0.475 176.451 176.870 0.092 0.000 1.003 284 L CA 0.195 55.067 54.840 0.053 0.000 0.862 284 L CB 1.552 43.529 42.059 -0.137 0.000 1.221 284 L HN 0.610 nan 8.230 nan 0.000 0.430 285 T N 2.805 117.418 114.554 0.097 0.000 2.779 285 T HA 0.333 4.683 4.350 -0.000 0.000 0.280 285 T C -1.016 173.765 174.700 0.135 0.000 0.987 285 T CA -0.521 61.642 62.100 0.105 0.000 0.966 285 T CB 0.586 69.529 68.868 0.126 0.000 0.933 285 T HN 0.634 nan 8.240 nan 0.000 0.442 286 D N 3.746 124.235 120.400 0.149 0.000 2.359 286 D HA 0.256 4.896 4.640 -0.000 0.000 0.230 286 D C -0.602 175.754 176.300 0.093 0.000 1.118 286 D CA -0.373 53.708 54.000 0.135 0.000 0.844 286 D CB 1.129 42.066 40.800 0.228 0.000 1.059 286 D HN 0.485 nan 8.370 nan 0.000 0.493 287 D N 3.411 123.859 120.400 0.079 0.000 2.670 287 D HA -0.003 4.637 4.640 -0.000 0.000 0.255 287 D C 1.735 177.961 176.300 -0.123 0.000 1.286 287 D CA -0.324 53.708 54.000 0.053 0.000 0.830 287 D CB 0.832 41.780 40.800 0.246 0.000 1.065 287 D HN 0.206 nan 8.370 nan 0.000 0.486 288 V N -0.162 119.554 119.914 -0.331 0.000 2.546 288 V HA -0.289 3.831 4.120 -0.000 0.000 0.254 288 V C 0.850 176.588 176.094 -0.593 0.000 1.076 288 V CA 1.852 63.781 62.300 -0.618 0.000 1.087 288 V CB -0.427 30.961 31.823 -0.725 0.000 0.674 288 V HN 0.383 nan 8.190 nan 0.000 0.470 289 Y N 0.205 120.387 120.300 -0.197 0.000 2.466 289 Y HA 0.307 4.857 4.550 -0.000 0.000 0.272 289 Y C 2.280 178.021 175.900 -0.265 0.000 1.169 289 Y CA 0.303 58.324 58.100 -0.132 0.000 1.285 289 Y CB -0.376 37.962 38.460 -0.203 0.000 1.078 289 Y HN 0.303 nan 8.280 nan 0.000 0.523 290 G N 0.647 109.151 108.800 -0.493 0.000 2.556 290 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.220 290 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.220 290 G C 1.766 176.329 174.900 -0.561 0.000 1.156 290 G CA 1.932 46.381 45.100 -1.084 0.000 0.766 290 G HN 0.443 nan 8.290 nan 0.000 0.583 291 T N -2.190 112.065 114.554 -0.498 0.000 3.098 291 T HA 0.104 4.454 4.350 -0.000 0.000 0.266 291 T C 1.819 176.209 174.700 -0.518 0.000 1.145 291 T CA 0.599 62.300 62.100 -0.665 0.000 1.092 291 T CB -0.319 67.663 68.868 -1.477 0.000 0.908 291 T HN 0.247 nan 8.240 nan 0.000 0.526 292 F N 1.579 121.393 119.950 -0.226 0.000 2.754 292 F HA 0.562 5.089 4.527 -0.000 0.000 0.297 292 F C 1.694 177.455 175.800 -0.064 0.000 1.122 292 F CA -0.587 57.361 58.000 -0.086 0.000 1.400 292 F CB 0.015 39.028 39.000 0.021 0.000 1.117 292 F HN 0.245 nan 8.300 nan 0.000 0.587 293 A N -0.019 122.850 122.820 0.081 0.000 2.271 293 A HA 0.227 4.547 4.320 -0.000 0.000 0.288 293 A C 0.747 178.388 177.584 0.096 0.000 1.094 293 A CA -0.463 51.634 52.037 0.099 0.000 0.828 293 A CB 0.310 19.407 19.000 0.162 0.000 1.091 293 A HN 0.081 nan 8.150 nan 0.000 0.493 294 D N -0.109 120.350 120.400 0.098 0.000 2.087 294 D HA -0.020 4.620 4.640 -0.000 0.000 0.201 294 D C -0.254 176.099 176.300 0.090 0.000 0.980 294 D CA 1.394 55.441 54.000 0.079 0.000 0.849 294 D CB 0.075 40.908 40.800 0.055 0.000 1.001 294 D HN 0.571 nan 8.370 nan 0.000 0.452 295 D N 0.178 120.636 120.400 0.097 0.000 2.517 295 D HA 0.068 4.708 4.640 -0.000 0.000 0.301 295 D C -0.451 175.907 176.300 0.097 0.000 1.202 295 D CA -0.459 53.589 54.000 0.079 0.000 0.910 295 D CB 0.182 41.005 40.800 0.039 0.000 1.021 295 D HN -0.035 nan 8.370 nan 0.000 0.499 296 F N 2.241 122.184 119.950 -0.012 0.000 2.602 296 F HA 0.017 4.544 4.527 -0.000 0.000 0.367 296 F C 0.442 176.239 175.800 -0.005 0.000 1.126 296 F CA 0.539 58.536 58.000 -0.005 0.000 1.321 296 F CB 0.673 39.662 39.000 -0.018 0.000 1.094 296 F HN 0.101 nan 8.300 nan 0.000 0.594 297 Q N 4.418 123.685 119.800 -0.887 0.000 2.271 297 Q HA 0.348 4.688 4.340 -0.000 0.000 0.268 297 Q C -1.269 174.119 176.000 -1.020 0.000 1.021 297 Q CA -0.667 54.767 55.803 -0.615 0.000 0.802 297 Q CB 1.790 30.346 28.738 -0.303 0.000 1.282 297 Q HN 0.738 nan 8.270 nan 0.000 0.431 298 S N 2.801 118.135 115.700 -0.611 0.000 2.652 298 S HA 0.360 4.830 4.470 -0.000 0.000 0.270 298 S C 1.029 175.598 174.600 -0.050 0.000 1.243 298 S CA -0.506 57.534 58.200 -0.266 0.000 0.999 298 S CB 0.615 63.920 63.200 0.176 0.000 0.973 298 S HN 0.815 nan 8.310 nan 0.000 0.544 299 L N 1.880 123.156 121.223 0.089 0.000 2.201 299 L HA -0.015 4.325 4.340 -0.000 0.000 0.212 299 L C 1.943 178.901 176.870 0.147 0.000 1.105 299 L CA 1.028 55.942 54.840 0.124 0.000 0.775 299 L CB -0.386 41.786 42.059 0.187 0.000 0.913 299 L HN 0.775 nan 8.230 nan 0.000 0.440 300 F N 0.623 120.613 119.950 0.066 0.000 2.293 300 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 300 F C 2.263 178.095 175.800 0.054 0.000 1.086 300 F CA 1.000 59.048 58.000 0.081 0.000 1.375 300 F CB -0.118 38.940 39.000 0.098 0.000 1.045 300 F HN -0.005 nan 8.300 nan 0.000 0.516 301 A N 0.039 122.837 122.820 -0.036 0.000 1.970 301 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 301 A C 2.083 179.590 177.584 -0.128 0.000 1.170 301 A CA 1.304 53.268 52.037 -0.122 0.000 0.645 301 A CB -0.625 18.332 19.000 -0.071 0.000 0.816 301 A HN 0.320 nan 8.150 nan 0.000 0.447 302 I N -0.888 119.633 120.570 -0.082 0.000 2.400 302 I HA -0.038 4.132 4.170 -0.000 0.000 0.248 302 I C 0.418 176.496 176.117 -0.065 0.000 1.109 302 I CA 0.815 62.078 61.300 -0.061 0.000 1.425 302 I CB -1.010 36.976 38.000 -0.024 0.000 1.094 302 I HN 0.249 nan 8.210 nan 0.000 0.425 303 C N 3.215 122.481 119.300 -0.056 0.000 3.414 303 C HA 0.279 4.739 4.460 -0.000 0.000 0.208 303 C C -0.846 174.087 174.990 -0.094 0.000 1.422 303 C CA -0.864 58.122 59.018 -0.053 0.000 1.437 303 C CB 0.160 27.909 27.740 0.015 0.000 1.850 303 C HN 0.242 nan 8.230 nan 0.000 0.481 304 P HA -0.146 nan 4.420 nan 0.000 0.218 304 P C 0.950 178.176 177.300 -0.122 0.000 1.148 304 P CA 1.599 64.454 63.100 -0.408 0.000 0.822 304 P CB 0.446 31.832 31.700 -0.523 0.000 0.784 305 E N -0.729 119.367 120.200 -0.174 0.000 2.482 305 E HA -0.041 4.309 4.350 -0.000 0.000 0.196 305 E C 0.415 177.023 176.600 0.014 0.000 1.047 305 E CA 0.377 56.706 56.400 -0.118 0.000 0.869 305 E CB -0.384 29.172 29.700 -0.239 0.000 0.836 305 E HN 0.321 nan 8.360 nan 0.000 0.520 306 N N -0.402 118.324 118.700 0.043 0.000 2.291 306 N HA 0.074 4.814 4.740 -0.000 0.000 0.244 306 N C -1.316 174.303 175.510 0.182 0.000 1.216 306 N CA 0.084 53.139 53.050 0.009 0.000 0.879 306 N CB 1.602 40.065 38.487 -0.040 0.000 1.167 306 N HN -0.153 nan 8.380 nan 0.000 0.515 307 T N 0.270 115.057 114.554 0.389 0.000 2.879 307 T HA 0.400 4.750 4.350 -0.000 0.000 0.290 307 T C -0.457 174.548 174.700 0.507 0.000 0.993 307 T CA -0.471 61.910 62.100 0.468 0.000 0.975 307 T CB 1.750 70.885 68.868 0.446 0.000 0.981 307 T HN -0.046 nan 8.240 nan 0.000 0.439 308 L N 3.733 125.144 121.223 0.313 0.000 2.259 308 L HA 0.468 4.808 4.340 -0.000 0.000 0.288 308 L C -0.340 176.527 176.870 -0.004 0.000 1.051 308 L CA -0.882 53.956 54.840 -0.002 0.000 0.824 308 L CB 0.887 42.809 42.059 -0.229 0.000 1.206 308 L HN 0.488 nan 8.230 nan 0.000 0.429 309 L N 5.248 126.383 121.223 -0.147 0.000 2.305 309 L HA 0.428 4.768 4.340 -0.000 0.000 0.281 309 L C -0.551 176.276 176.870 -0.072 0.000 1.085 309 L CA 0.098 54.857 54.840 -0.134 0.000 0.813 309 L CB 1.487 43.310 42.059 -0.394 0.000 1.157 309 L HN 0.228 nan 8.230 nan 0.000 0.436 310 V N 6.189 126.113 119.914 0.016 0.000 2.370 310 V HA 0.323 4.443 4.120 -0.000 0.000 0.283 310 V C -1.161 174.984 176.094 0.085 0.000 1.023 310 V CA -0.402 61.919 62.300 0.034 0.000 0.857 310 V CB 1.144 32.988 31.823 0.035 0.000 0.985 310 V HN 0.708 nan 8.190 nan 0.000 0.443 311 Y N 4.460 124.755 120.300 -0.008 0.000 2.326 311 Y HA 0.595 5.145 4.550 -0.000 0.000 0.329 311 Y C 0.056 175.980 175.900 0.040 0.000 0.973 311 Y CA -0.322 57.767 58.100 -0.018 0.000 1.162 311 Y CB 1.909 40.340 38.460 -0.048 0.000 1.147 311 Y HN 0.573 nan 8.280 nan 0.000 0.456 312 S N 4.925 120.128 115.700 -0.827 0.000 2.489 312 S HA 0.382 4.852 4.470 -0.000 0.000 0.291 312 S C 0.010 174.262 174.600 -0.580 0.000 1.151 312 S CA -0.473 57.463 58.200 -0.440 0.000 1.082 312 S CB 0.386 63.447 63.200 -0.231 0.000 1.019 312 S HN 0.634 nan 8.310 nan 0.000 0.492 313 F N 2.683 122.558 119.950 -0.125 0.000 2.797 313 F HA 0.168 4.695 4.527 -0.000 0.000 0.302 313 F C 2.376 178.254 175.800 0.130 0.000 1.130 313 F CA 0.049 58.148 58.000 0.166 0.000 1.387 313 F CB -0.395 38.746 39.000 0.235 0.000 1.107 313 F HN 0.523 nan 8.300 nan 0.000 0.577 314 S N 0.428 116.229 115.700 0.167 0.000 2.365 314 S HA -0.208 4.262 4.470 -0.000 0.000 0.221 314 S C 2.216 176.885 174.600 0.114 0.000 1.037 314 S CA 1.389 59.662 58.200 0.121 0.000 1.060 314 S CB -0.136 63.094 63.200 0.050 0.000 0.974 314 S HN 0.206 nan 8.310 nan 0.000 0.427 315 K N 0.661 121.107 120.400 0.077 0.000 1.985 315 K HA -0.040 4.280 4.320 -0.000 0.000 0.210 315 K C 1.955 178.857 176.600 0.503 0.000 1.047 315 K CA 1.358 57.777 56.287 0.220 0.000 0.932 315 K CB -1.174 31.347 32.500 0.035 0.000 0.716 315 K HN 0.430 nan 8.250 nan 0.000 0.439 316 Y N 0.787 121.212 120.300 0.207 0.000 2.128 316 Y HA -0.184 4.366 4.550 -0.000 0.000 0.284 316 Y C 1.821 177.646 175.900 -0.125 0.000 1.154 316 Y CA 1.372 59.401 58.100 -0.118 0.000 1.149 316 Y CB -0.477 37.698 38.460 -0.474 0.000 0.976 316 Y HN -0.018 nan 8.280 nan 0.000 0.505 317 F N -0.321 119.634 119.950 0.007 0.000 2.765 317 F HA 0.302 4.829 4.527 -0.000 0.000 0.302 317 F C 1.690 177.378 175.800 -0.188 0.000 1.111 317 F CA 0.481 58.275 58.000 -0.345 0.000 1.359 317 F CB -0.175 38.165 39.000 -1.100 0.000 1.097 317 F HN 0.090 nan 8.300 nan 0.000 0.577 318 G N 1.409 110.258 108.800 0.081 0.000 2.333 318 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.296 318 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.296 318 G C 0.357 175.293 174.900 0.060 0.000 1.059 318 G CA 0.251 45.341 45.100 -0.017 0.000 1.050 318 G HN 0.645 nan 8.290 nan 0.000 0.508 319 A N 0.015 122.897 122.820 0.103 0.000 2.643 319 A HA 0.650 4.970 4.320 -0.000 0.000 0.295 319 A C 1.846 179.563 177.584 0.223 0.000 1.065 319 A CA 1.263 53.440 52.037 0.233 0.000 0.986 319 A CB -0.153 18.973 19.000 0.209 0.000 1.212 319 A HN 1.469 nan 8.150 nan 0.000 0.516 320 T N -2.987 111.643 114.554 0.126 0.000 2.699 320 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 320 T C 1.878 176.632 174.700 0.089 0.000 1.036 320 T CA 2.019 64.177 62.100 0.095 0.000 1.147 320 T CB -0.601 68.301 68.868 0.056 0.000 0.862 320 T HN 0.532 nan 8.240 nan 0.000 0.446 321 G N -0.632 108.205 108.800 0.062 0.000 2.471 321 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.219 321 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.219 321 G C 1.168 176.031 174.900 -0.061 0.000 1.125 321 G CA 0.133 45.218 45.100 -0.025 0.000 0.775 321 G HN 0.644 nan 8.290 nan 0.000 0.548 322 W N 0.273 121.578 121.300 0.007 0.000 2.584 322 W HA 0.167 4.827 4.660 -0.000 0.000 0.264 322 W C 0.664 177.174 176.519 -0.015 0.000 1.264 322 W CA 0.127 57.462 57.345 -0.016 0.000 1.306 322 W CB 0.481 29.939 29.460 -0.004 0.000 1.110 322 W HN -0.007 nan 8.180 nan 0.000 0.606 323 R N 0.056 120.691 120.500 0.224 0.000 3.152 323 R HA -0.185 4.155 4.340 -0.000 0.000 0.252 323 R C -1.157 175.223 176.300 0.134 0.000 0.930 323 R CA 0.679 56.861 56.100 0.137 0.000 0.642 323 R CB -3.123 27.225 30.300 0.081 0.000 1.205 323 R HN 0.280 nan 8.270 nan 0.000 0.452 324 L N 0.052 121.365 121.223 0.149 0.000 2.296 324 L HA 0.831 5.171 4.340 -0.000 0.000 0.286 324 L C 1.035 178.006 176.870 0.167 0.000 1.023 324 L CA -0.344 54.537 54.840 0.067 0.000 0.812 324 L CB 2.177 44.184 42.059 -0.088 0.000 1.223 324 L HN 0.491 nan 8.230 nan 0.000 0.421 325 G N 1.966 110.844 108.800 0.130 0.000 2.673 325 G HA2 0.629 4.589 3.960 -0.000 0.000 0.292 325 G HA3 0.629 4.589 3.960 -0.000 0.000 0.292 325 G C -1.528 173.473 174.900 0.168 0.000 1.450 325 G CA -0.471 44.764 45.100 0.224 0.000 0.837 325 G HN 0.495 nan 8.290 nan 0.000 0.505 326 V N -2.188 117.872 119.914 0.242 0.000 3.040 326 V HA 0.896 5.016 4.120 -0.000 0.000 0.312 326 V C -0.784 175.364 176.094 0.090 0.000 1.115 326 V CA -1.157 61.234 62.300 0.151 0.000 0.998 326 V CB 1.731 33.696 31.823 0.237 0.000 1.042 326 V HN 0.770 nan 8.190 nan 0.000 0.433 327 V N 2.601 122.537 119.914 0.036 0.000 2.357 327 V HA 0.838 4.958 4.120 -0.000 0.000 0.284 327 V C 0.637 176.728 176.094 -0.005 0.000 1.018 327 V CA 0.220 62.525 62.300 0.009 0.000 0.841 327 V CB 0.990 32.836 31.823 0.037 0.000 0.991 327 V HN 1.400 nan 8.190 nan 0.000 0.437 328 A N 4.175 126.917 122.820 -0.131 0.000 2.282 328 A HA 1.009 5.329 4.320 -0.000 0.000 0.319 328 A C -0.000 177.462 177.584 -0.202 0.000 1.121 328 A CA -0.142 51.760 52.037 -0.225 0.000 0.836 328 A CB 1.473 20.142 19.000 -0.551 0.000 1.146 328 A HN 1.540 nan 8.150 nan 0.000 0.494 329 A N 0.599 123.408 122.820 -0.019 0.000 2.540 329 A HA 0.564 4.884 4.320 -0.000 0.000 0.297 329 A C -0.737 177.066 177.584 0.365 0.000 1.056 329 A CA -0.557 51.596 52.037 0.193 0.000 0.700 329 A CB 0.596 19.667 19.000 0.119 0.000 1.280 329 A HN 1.034 nan 8.150 nan 0.000 0.398 330 H N 1.719 121.039 119.070 0.416 0.000 2.707 330 H HA 0.138 4.694 4.556 -0.000 0.000 0.359 330 H C 1.016 176.455 175.328 0.184 0.000 1.113 330 H CA 0.752 56.971 56.048 0.286 0.000 1.422 330 H CB 1.084 30.954 29.762 0.180 0.000 1.443 330 H HN 0.816 nan 8.280 nan 0.000 0.591 331 Q N 1.595 121.441 119.800 0.077 0.000 2.112 331 Q HA -0.158 4.182 4.340 -0.000 0.000 0.206 331 Q C 0.038 176.186 176.000 0.247 0.000 0.987 331 Q CA 1.283 57.162 55.803 0.128 0.000 0.858 331 Q CB 0.108 28.858 28.738 0.020 0.000 0.905 331 Q HN 0.624 nan 8.270 nan 0.000 0.420 332 Q N 1.854 121.922 119.800 0.446 0.000 2.348 332 Q HA 0.356 4.696 4.340 -0.000 0.000 0.265 332 Q C -0.660 175.458 176.000 0.197 0.000 0.998 332 Q CA -0.358 55.597 55.803 0.253 0.000 0.831 332 Q CB 1.089 29.930 28.738 0.172 0.000 1.251 332 Q HN 0.272 nan 8.270 nan 0.000 0.456 333 N N -0.442 118.360 118.700 0.170 0.000 2.494 333 N HA 0.122 4.862 4.740 -0.000 0.000 0.270 333 N C 0.648 176.219 175.510 0.101 0.000 1.285 333 N CA -0.510 52.643 53.050 0.172 0.000 0.812 333 N CB 1.813 40.521 38.487 0.368 0.000 1.557 333 N HN 0.228 nan 8.380 nan 0.000 0.487 334 V N -1.733 118.164 119.914 -0.029 0.000 2.982 334 V HA -0.103 4.017 4.120 -0.000 0.000 0.265 334 V C 1.271 177.178 176.094 -0.311 0.000 1.122 334 V CA 1.147 63.319 62.300 -0.215 0.000 1.143 334 V CB -1.339 30.254 31.823 -0.383 0.000 0.726 334 V HN 0.569 nan 8.190 nan 0.000 0.507 335 F N 0.786 120.658 119.950 -0.130 0.000 2.270 335 F HA 0.126 4.653 4.527 -0.000 0.000 0.295 335 F C 2.341 178.033 175.800 -0.180 0.000 1.087 335 F CA 1.375 59.200 58.000 -0.292 0.000 1.365 335 F CB -0.525 38.142 39.000 -0.554 0.000 1.056 335 F HN 0.146 nan 8.300 nan 0.000 0.506 336 D N 0.386 120.872 120.400 0.142 0.000 2.123 336 D HA -0.069 4.571 4.640 -0.000 0.000 0.200 336 D C 2.520 178.847 176.300 0.045 0.000 0.976 336 D CA 0.871 54.937 54.000 0.110 0.000 0.831 336 D CB -0.337 40.541 40.800 0.130 0.000 0.974 336 D HN 0.211 nan 8.370 nan 0.000 0.469 337 L N 1.027 122.260 121.223 0.016 0.000 2.012 337 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 337 L C 2.614 179.469 176.870 -0.026 0.000 1.073 337 L CA 1.293 56.127 54.840 -0.010 0.000 0.748 337 L CB -0.513 41.525 42.059 -0.035 0.000 0.891 337 L HN -0.013 nan 8.230 nan 0.000 0.431 338 A N -0.070 122.714 122.820 -0.061 0.000 1.940 338 A HA -0.189 4.130 4.320 -0.000 0.000 0.219 338 A C 2.212 179.780 177.584 -0.027 0.000 1.176 338 A CA 1.435 53.430 52.037 -0.070 0.000 0.631 338 A CB -0.683 18.235 19.000 -0.136 0.000 0.814 338 A HN 0.402 nan 8.150 nan 0.000 0.446 339 L N -0.525 120.696 121.223 -0.002 0.000 2.275 339 L HA -0.150 4.190 4.340 -0.000 0.000 0.215 339 L C 1.578 178.468 176.870 0.034 0.000 1.119 339 L CA 1.003 55.865 54.840 0.037 0.000 0.790 339 L CB -0.397 41.709 42.059 0.077 0.000 0.919 339 L HN 0.340 nan 8.230 nan 0.000 0.443 340 D N 0.062 120.475 120.400 0.020 0.000 2.234 340 D HA -0.099 4.541 4.640 -0.000 0.000 0.205 340 D C 1.799 178.106 176.300 0.012 0.000 0.962 340 D CA 0.933 54.944 54.000 0.018 0.000 0.855 340 D CB 0.109 40.917 40.800 0.014 0.000 0.951 340 D HN 0.295 nan 8.370 nan 0.000 0.500 341 K N 0.255 120.657 120.400 0.003 0.000 2.487 341 K HA 0.131 4.451 4.320 -0.000 0.000 0.192 341 K C 0.710 177.314 176.600 0.007 0.000 1.027 341 K CA -0.108 56.178 56.287 -0.000 0.000 1.054 341 K CB 0.412 32.905 32.500 -0.013 0.000 0.824 341 K HN 0.084 nan 8.250 nan 0.000 0.510 342 L N 2.025 123.258 121.223 0.016 0.000 2.483 342 L HA -0.022 4.318 4.340 -0.000 0.000 0.275 342 L C 0.675 177.560 176.870 0.025 0.000 1.220 342 L CA -0.019 54.836 54.840 0.025 0.000 0.833 342 L CB 0.212 42.296 42.059 0.041 0.000 1.102 342 L HN 0.163 nan 8.230 nan 0.000 0.490 343 Q N 1.077 120.892 119.800 0.025 0.000 2.364 343 Q HA -0.085 4.255 4.340 -0.000 0.000 0.267 343 Q C 0.774 176.791 176.000 0.027 0.000 0.999 343 Q CA -0.108 55.709 55.803 0.023 0.000 0.886 343 Q CB 0.898 29.649 28.738 0.022 0.000 1.243 343 Q HN 0.461 nan 8.270 nan 0.000 0.415 344 E N 1.607 121.821 120.200 0.024 0.000 2.130 344 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 344 E C 1.809 178.426 176.600 0.029 0.000 0.998 344 E CA 2.161 58.576 56.400 0.026 0.000 0.806 344 E CB -0.068 29.644 29.700 0.020 0.000 0.738 344 E HN 0.673 nan 8.360 nan 0.000 0.459 345 S N -0.394 115.321 115.700 0.025 0.000 2.382 345 S HA -0.198 4.272 4.470 -0.000 0.000 0.228 345 S C 1.895 176.516 174.600 0.034 0.000 1.027 345 S CA 1.289 59.504 58.200 0.025 0.000 0.991 345 S CB -0.369 62.843 63.200 0.020 0.000 0.823 345 S HN 0.406 nan 8.310 nan 0.000 0.469 346 E N 1.339 121.563 120.200 0.040 0.000 2.047 346 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 346 E C 2.250 178.889 176.600 0.066 0.000 0.987 346 E CA 1.084 57.516 56.400 0.052 0.000 0.799 346 E CB -0.135 29.597 29.700 0.053 0.000 0.752 346 E HN 0.582 nan 8.360 nan 0.000 0.449 347 K N 0.546 120.983 120.400 0.062 0.000 2.211 347 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 347 K C 2.112 178.759 176.600 0.078 0.000 1.047 347 K CA 0.873 57.203 56.287 0.073 0.000 0.935 347 K CB -0.009 32.526 32.500 0.057 0.000 0.728 347 K HN 0.001 nan 8.250 nan 0.000 0.452 348 V N 1.215 121.166 119.914 0.061 0.000 2.307 348 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 348 V C 2.363 178.502 176.094 0.075 0.000 1.045 348 V CA 1.983 64.317 62.300 0.057 0.000 1.024 348 V CB -0.623 31.219 31.823 0.031 0.000 0.651 348 V HN 0.340 nan 8.190 nan 0.000 0.449 349 A N -0.243 122.618 122.820 0.068 0.000 1.940 349 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 349 A C 2.194 179.838 177.584 0.100 0.000 1.176 349 A CA 1.897 53.981 52.037 0.078 0.000 0.631 349 A CB -0.578 18.457 19.000 0.060 0.000 0.814 349 A HN 0.520 nan 8.150 nan 0.000 0.446 350 L N -0.733 120.558 121.223 0.114 0.000 2.217 350 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 350 L C 1.863 178.850 176.870 0.196 0.000 1.107 350 L CA 0.936 55.873 54.840 0.162 0.000 0.783 350 L CB -0.513 41.682 42.059 0.227 0.000 0.919 350 L HN 0.292 nan 8.230 nan 0.000 0.442 351 D N -0.811 119.685 120.400 0.160 0.000 2.144 351 D HA -0.226 4.414 4.640 -0.000 0.000 0.199 351 D C 1.961 178.356 176.300 0.158 0.000 0.984 351 D CA 1.355 55.447 54.000 0.155 0.000 0.834 351 D CB -0.001 40.868 40.800 0.115 0.000 0.955 351 D HN 0.366 nan 8.370 nan 0.000 0.465 352 H N 0.612 119.698 119.070 0.027 0.000 2.436 352 H HA 0.091 4.647 4.556 -0.000 0.000 0.294 352 H C 2.017 177.311 175.328 -0.058 0.000 1.048 352 H CA 1.159 57.203 56.048 -0.007 0.000 1.353 352 H CB 0.180 29.935 29.762 -0.013 0.000 1.414 352 H HN -0.050 nan 8.280 nan 0.000 0.536 353 R N -0.636 119.785 120.500 -0.132 0.000 2.066 353 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 353 R C 0.773 176.800 176.300 -0.455 0.000 1.131 353 R CA 1.722 57.589 56.100 -0.388 0.000 0.955 353 R CB -0.207 29.747 30.300 -0.577 0.000 0.851 353 R HN 0.408 nan 8.270 nan 0.000 0.432 354 Y N 0.951 121.216 120.300 -0.059 0.000 2.571 354 Y HA 0.182 4.732 4.550 -0.000 0.000 0.275 354 Y C 1.686 177.554 175.900 -0.053 0.000 1.179 354 Y CA -0.412 57.650 58.100 -0.063 0.000 1.242 354 Y CB 0.213 38.646 38.460 -0.045 0.000 1.126 354 Y HN 0.134 nan 8.280 nan 0.000 0.524 355 R N 0.026 120.550 120.500 0.040 0.000 2.113 355 R HA -0.223 4.117 4.340 -0.000 0.000 0.244 355 R C 2.115 178.430 176.300 0.025 0.000 1.142 355 R CA 1.906 58.027 56.100 0.034 0.000 0.953 355 R CB -1.204 29.095 30.300 -0.002 0.000 0.860 355 R HN 0.325 nan 8.270 nan 0.000 0.438 356 S N 0.647 116.342 115.700 -0.007 0.000 2.547 356 S HA 0.021 4.491 4.470 -0.000 0.000 0.235 356 S C 1.877 176.492 174.600 0.026 0.000 0.980 356 S CA 0.531 58.732 58.200 0.002 0.000 0.941 356 S CB -0.152 63.033 63.200 -0.026 0.000 0.763 356 S HN 0.334 nan 8.310 nan 0.000 0.532 357 L N 0.392 121.637 121.223 0.036 0.000 2.168 357 L HA 0.428 4.768 4.340 -0.000 0.000 0.203 357 L C 0.854 177.748 176.870 0.040 0.000 1.078 357 L CA 0.694 55.549 54.840 0.025 0.000 0.780 357 L CB -0.185 41.874 42.059 0.000 0.000 0.939 357 L HN 0.535 nan 8.230 nan 0.000 0.451 358 L N -5.310 115.934 121.223 0.034 0.000 2.622 358 L HA 0.402 4.742 4.340 -0.000 0.000 0.258 358 L C -2.399 174.489 176.870 0.030 0.000 0.996 358 L CA -1.306 53.550 54.840 0.027 0.000 0.858 358 L CB 1.202 43.265 42.059 0.007 0.000 1.449 358 L HN -0.321 nan 8.230 nan 0.000 0.411 359 P HA -0.104 nan 4.420 nan 0.000 0.215 359 P C 0.048 177.365 177.300 0.029 0.000 1.157 359 P CA 1.039 64.156 63.100 0.028 0.000 0.859 359 P CB 0.086 31.799 31.700 0.022 0.000 0.786 360 D N 0.078 120.491 120.400 0.022 0.000 2.494 360 D HA 0.115 4.755 4.640 -0.000 0.000 0.217 360 D C 1.229 177.539 176.300 0.017 0.000 1.153 360 D CA -0.314 53.699 54.000 0.021 0.000 0.954 360 D CB 0.038 40.847 40.800 0.015 0.000 1.034 360 D HN -0.287 nan 8.370 nan 0.000 0.518 361 V N 4.023 123.957 119.914 0.033 0.000 2.568 361 V HA -0.218 3.902 4.120 -0.000 0.000 0.253 361 V C 2.226 178.323 176.094 0.006 0.000 1.072 361 V CA 1.552 63.868 62.300 0.028 0.000 1.084 361 V CB -0.436 31.446 31.823 0.098 0.000 0.676 361 V HN 0.539 nan 8.190 nan 0.000 0.469 362 R N 0.661 121.175 120.500 0.023 0.000 2.316 362 R HA -0.049 4.291 4.340 -0.000 0.000 0.202 362 R C 2.062 178.368 176.300 0.009 0.000 1.029 362 R CA 1.162 57.275 56.100 0.022 0.000 1.018 362 R CB -0.262 30.056 30.300 0.030 0.000 0.888 362 R HN 0.677 nan 8.270 nan 0.000 0.471 363 S N -0.153 115.546 115.700 -0.002 0.000 2.556 363 S HA 0.078 4.548 4.470 -0.000 0.000 0.216 363 S C 0.485 175.071 174.600 -0.023 0.000 0.970 363 S CA -0.500 57.698 58.200 -0.004 0.000 0.912 363 S CB 0.146 63.345 63.200 -0.001 0.000 0.790 363 S HN 0.084 nan 8.310 nan 0.000 0.504 364 L N 3.458 124.648 121.223 -0.054 0.000 2.385 364 L HA 0.407 4.747 4.340 -0.000 0.000 0.281 364 L C -0.162 176.657 176.870 -0.085 0.000 1.106 364 L CA -0.144 54.629 54.840 -0.111 0.000 0.856 364 L CB -0.008 41.917 42.059 -0.223 0.000 1.186 364 L HN 0.086 nan 8.230 nan 0.000 0.453 365 K N 3.977 124.344 120.400 -0.056 0.000 2.355 365 K HA -0.005 4.315 4.320 -0.000 0.000 0.270 365 K C 0.815 177.420 176.600 0.007 0.000 1.003 365 K CA -0.108 56.185 56.287 0.009 0.000 0.957 365 K CB 0.552 33.066 32.500 0.024 0.000 0.939 365 K HN 0.531 nan 8.250 nan 0.000 0.482 366 F N 2.761 122.681 119.950 -0.050 0.000 2.063 366 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 366 F C 1.887 177.621 175.800 -0.111 0.000 1.109 366 F CA 1.570 59.530 58.000 -0.066 0.000 1.212 366 F CB -0.215 38.779 39.000 -0.009 0.000 0.973 366 F HN 0.600 nan 8.300 nan 0.000 0.480 367 I N -0.107 120.403 120.570 -0.100 0.000 2.502 367 I HA -0.325 3.845 4.170 -0.000 0.000 0.258 367 I C 1.529 177.446 176.117 -0.333 0.000 1.172 367 I CA 1.773 62.953 61.300 -0.201 0.000 1.430 367 I CB -0.400 37.578 38.000 -0.037 0.000 1.086 367 I HN 0.198 nan 8.210 nan 0.000 0.440 368 D N 0.191 120.409 120.400 -0.302 0.000 2.271 368 D HA -0.044 4.596 4.640 -0.000 0.000 0.206 368 D C 2.159 178.205 176.300 -0.423 0.000 0.967 368 D CA 0.480 54.268 54.000 -0.354 0.000 0.867 368 D CB -0.020 40.631 40.800 -0.248 0.000 0.960 368 D HN 0.420 nan 8.370 nan 0.000 0.509 369 R N 0.568 120.796 120.500 -0.453 0.000 2.092 369 R HA -0.008 4.332 4.340 -0.000 0.000 0.231 369 R C 2.506 178.571 176.300 -0.391 0.000 1.119 369 R CA 0.388 56.215 56.100 -0.454 0.000 0.970 369 R CB -0.420 29.611 30.300 -0.448 0.000 0.864 369 R HN 0.208 nan 8.270 nan 0.000 0.440 370 L N 0.535 121.431 121.223 -0.545 0.000 1.971 370 L HA -0.247 4.093 4.340 -0.000 0.000 0.215 370 L C 2.539 179.170 176.870 -0.398 0.000 1.072 370 L CA 1.476 56.080 54.840 -0.394 0.000 0.758 370 L CB -0.670 41.221 42.059 -0.279 0.000 0.889 370 L HN 0.013 nan 8.230 nan 0.000 0.433 371 V N 0.037 119.485 119.914 -0.777 0.000 2.252 371 V HA -0.371 3.749 4.120 -0.000 0.000 0.249 371 V C 2.721 178.560 176.094 -0.425 0.000 1.056 371 V CA 2.081 63.829 62.300 -0.920 0.000 1.022 371 V CB -1.091 30.174 31.823 -0.930 0.000 0.641 371 V HN 0.548 nan 8.190 nan 0.000 0.445 372 A N -0.188 122.440 122.820 -0.320 0.000 1.933 372 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 372 A C 1.945 179.468 177.584 -0.103 0.000 1.175 372 A CA 1.968 53.904 52.037 -0.167 0.000 0.628 372 A CB -0.601 18.369 19.000 -0.050 0.000 0.814 372 A HN 0.589 nan 8.150 nan 0.000 0.444 373 D N 0.059 120.404 120.400 -0.093 0.000 2.269 373 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 373 D C 2.260 178.482 176.300 -0.130 0.000 0.963 373 D CA 1.402 55.365 54.000 -0.061 0.000 0.864 373 D CB -0.294 40.499 40.800 -0.012 0.000 0.936 373 D HN 0.608 nan 8.370 nan 0.000 0.505 374 S N 0.091 115.629 115.700 -0.270 0.000 2.474 374 S HA -0.060 4.410 4.470 -0.000 0.000 0.235 374 S C 1.366 175.843 174.600 -0.204 0.000 0.997 374 S CA 0.487 58.414 58.200 -0.453 0.000 0.949 374 S CB 0.194 62.890 63.200 -0.840 0.000 0.766 374 S HN -0.021 nan 8.310 nan 0.000 0.517 375 R N 0.598 121.017 120.500 -0.135 0.000 2.734 375 R HA 0.547 4.887 4.340 -0.000 0.000 0.395 375 R C 0.496 176.757 176.300 -0.065 0.000 1.096 375 R CA 0.197 56.253 56.100 -0.074 0.000 1.071 375 R CB -0.519 29.743 30.300 -0.064 0.000 1.348 375 R HN 0.475 nan 8.270 nan 0.000 0.600 376 A N 0.164 122.948 122.820 -0.060 0.000 2.822 376 A HA -0.254 4.066 4.320 -0.000 0.000 0.287 376 A C 1.220 178.755 177.584 -0.082 0.000 1.479 376 A CA 0.819 52.819 52.037 -0.061 0.000 0.779 376 A CB -1.980 16.993 19.000 -0.045 0.000 1.022 376 A HN 0.307 nan 8.150 nan 0.000 0.532 377 V N -3.810 116.054 119.914 -0.084 0.000 0.595 377 V HA -0.524 3.596 4.120 -0.000 0.000 0.092 377 V C 2.759 178.794 176.094 -0.098 0.000 1.786 377 V CA 3.912 66.165 62.300 -0.078 0.000 3.384 377 V CB -2.272 29.476 31.823 -0.125 0.000 0.670 377 V HN 2.374 nan 8.190 nan 0.000 0.691 378 A N 0.058 122.823 122.820 -0.092 0.000 1.971 378 A HA -0.181 4.139 4.320 -0.000 0.000 0.222 378 A C 1.697 179.231 177.584 -0.085 0.000 1.182 378 A CA 2.749 54.738 52.037 -0.081 0.000 0.649 378 A CB -0.539 18.421 19.000 -0.067 0.000 0.818 378 A HN 0.824 nan 8.150 nan 0.000 0.458 379 L N 0.060 121.230 121.223 -0.088 0.000 2.685 379 L HA 0.062 4.402 4.340 -0.000 0.000 0.233 379 L C 1.907 178.699 176.870 -0.129 0.000 1.173 379 L CA -0.074 54.712 54.840 -0.090 0.000 0.961 379 L CB -0.548 41.474 42.059 -0.062 0.000 1.217 379 L HN 0.481 nan 8.230 nan 0.000 0.478 380 N N 1.203 119.787 118.700 -0.192 0.000 2.091 380 N HA -0.273 4.467 4.740 -0.000 0.000 0.193 380 N C 1.316 176.649 175.510 -0.294 0.000 1.021 380 N CA 1.732 54.614 53.050 -0.279 0.000 0.862 380 N CB -0.047 38.206 38.487 -0.390 0.000 1.018 380 N HN 0.547 nan 8.380 nan 0.000 0.429 381 H N -1.455 117.555 119.070 -0.100 0.000 2.562 381 H HA 0.044 4.600 4.556 -0.000 0.000 0.272 381 H C 0.706 175.924 175.328 -0.184 0.000 1.019 381 H CA 1.162 57.139 56.048 -0.118 0.000 1.160 381 H CB 0.279 29.974 29.762 -0.112 0.000 1.334 381 H HN 0.371 nan 8.280 nan 0.000 0.611 382 T N -3.252 111.237 114.554 -0.110 0.000 3.262 382 T HA 0.502 4.852 4.350 -0.000 0.000 0.300 382 T C 0.713 175.423 174.700 0.017 0.000 0.959 382 T CA -0.134 61.864 62.100 -0.170 0.000 0.936 382 T CB 0.232 68.852 68.868 -0.413 0.000 1.169 382 T HN 0.254 nan 8.240 nan 0.000 0.532 383 A N 0.731 123.550 122.820 -0.000 0.000 2.249 383 A HA 0.937 5.257 4.320 -0.000 0.000 0.281 383 A C 0.945 178.591 177.584 0.103 0.000 1.127 383 A CA 0.078 52.136 52.037 0.035 0.000 0.833 383 A CB -0.253 18.726 19.000 -0.036 0.000 1.140 383 A HN 1.655 nan 8.150 nan 0.000 0.502 384 G N -2.127 106.775 108.800 0.170 0.000 2.539 384 G HA2 0.364 4.324 3.960 -0.000 0.000 0.686 384 G HA3 0.364 4.324 3.960 -0.000 0.000 0.686 384 G C -0.899 174.120 174.900 0.198 0.000 1.258 384 G CA -0.316 44.926 45.100 0.237 0.000 0.846 384 G HN 1.658 nan 8.290 nan 0.000 0.647 385 L N 1.480 122.812 121.223 0.182 0.000 2.456 385 L HA 0.592 4.932 4.340 -0.000 0.000 0.272 385 L C 1.632 178.568 176.870 0.111 0.000 1.189 385 L CA 0.657 55.571 54.840 0.123 0.000 0.846 385 L CB 0.912 43.019 42.059 0.080 0.000 1.111 385 L HN 1.577 nan 8.230 nan 0.000 0.475 386 S N 1.510 117.272 115.700 0.103 0.000 2.558 386 S HA -0.012 4.458 4.470 -0.000 0.000 0.287 386 S C 1.396 176.043 174.600 0.079 0.000 1.321 386 S CA 0.107 58.361 58.200 0.091 0.000 1.048 386 S CB 0.266 63.523 63.200 0.094 0.000 0.844 386 S HN 0.885 nan 8.310 nan 0.000 0.512 387 T N -1.110 113.478 114.554 0.058 0.000 2.867 387 T HA 0.028 4.378 4.350 -0.000 0.000 0.268 387 T C -1.169 173.563 174.700 0.052 0.000 1.057 387 T CA 0.877 62.999 62.100 0.036 0.000 1.136 387 T CB -1.690 67.179 68.868 0.000 0.000 0.874 387 T HN 0.535 nan 8.240 nan 0.000 0.466 388 P HA 0.040 nan 4.420 nan 0.000 0.221 388 P C 1.836 179.266 177.300 0.217 0.000 1.150 388 P CA 0.911 64.151 63.100 0.233 0.000 0.800 388 P CB -0.099 31.810 31.700 0.348 0.000 0.787 389 Q N -0.611 119.275 119.800 0.142 0.000 2.083 389 Q HA -0.159 4.181 4.340 -0.000 0.000 0.198 389 Q C 2.311 178.229 176.000 -0.137 0.000 0.969 389 Q CA 1.228 57.042 55.803 0.017 0.000 0.838 389 Q CB -0.331 28.482 28.738 0.124 0.000 0.900 389 Q HN 0.376 nan 8.270 nan 0.000 0.436 390 Q N -0.374 119.393 119.800 -0.055 0.000 2.124 390 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 390 Q C 2.171 178.096 176.000 -0.127 0.000 0.977 390 Q CA 1.375 57.127 55.803 -0.084 0.000 0.850 390 Q CB 0.025 28.754 28.738 -0.014 0.000 0.901 390 Q HN 0.236 nan 8.270 nan 0.000 0.429 391 V N 0.831 120.696 119.914 -0.081 0.000 2.307 391 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 391 V C 2.291 178.274 176.094 -0.185 0.000 1.045 391 V CA 2.027 64.282 62.300 -0.076 0.000 1.024 391 V CB -0.558 31.247 31.823 -0.030 0.000 0.651 391 V HN 0.320 nan 8.190 nan 0.000 0.449 392 Q N -0.041 119.555 119.800 -0.339 0.000 2.084 392 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 392 Q C 2.160 177.553 176.000 -1.012 0.000 0.978 392 Q CA 2.245 57.488 55.803 -0.932 0.000 0.844 392 Q CB -0.493 27.125 28.738 -1.868 0.000 0.898 392 Q HN 0.596 nan 8.270 nan 0.000 0.426 393 M N -0.828 118.332 119.600 -0.732 0.000 2.108 393 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 393 M C 1.871 177.854 176.300 -0.528 0.000 1.066 393 M CA 1.904 56.769 55.300 -0.724 0.000 1.107 393 M CB -0.230 31.992 32.600 -0.630 0.000 1.356 393 M HN 0.362 nan 8.290 nan 0.000 0.406 394 A N 0.422 123.048 122.820 -0.323 0.000 1.898 394 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 394 A C 1.965 179.481 177.584 -0.114 0.000 1.181 394 A CA 1.362 53.316 52.037 -0.138 0.000 0.620 394 A CB -0.875 18.112 19.000 -0.022 0.000 0.819 394 A HN 0.581 nan 8.150 nan 0.000 0.442 395 L N -1.893 119.206 121.223 -0.208 0.000 2.027 395 L HA -0.147 4.193 4.340 -0.000 0.000 0.206 395 L C 2.499 179.276 176.870 -0.156 0.000 1.074 395 L CA 1.130 55.906 54.840 -0.107 0.000 0.745 395 L CB -0.610 41.298 42.059 -0.251 0.000 0.898 395 L HN 0.320 nan 8.230 nan 0.000 0.433 396 F N 0.257 119.918 119.950 -0.481 0.000 2.069 396 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 396 F C 2.857 178.311 175.800 -0.576 0.000 1.113 396 F CA 1.331 58.855 58.000 -0.794 0.000 1.214 396 F CB -1.216 36.929 39.000 -1.425 0.000 0.978 396 F HN -0.042 nan 8.300 nan 0.000 0.474 397 S N 0.414 115.943 115.700 -0.284 0.000 2.374 397 S HA -0.200 4.270 4.470 -0.000 0.000 0.227 397 S C 2.256 176.829 174.600 -0.045 0.000 1.037 397 S CA 1.317 59.355 58.200 -0.270 0.000 1.024 397 S CB -0.666 62.490 63.200 -0.074 0.000 0.861 397 S HN 0.260 nan 8.310 nan 0.000 0.456 398 L N -0.077 121.159 121.223 0.021 0.000 2.046 398 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 398 L C 2.223 179.169 176.870 0.126 0.000 1.077 398 L CA 1.269 56.107 54.840 -0.004 0.000 0.747 398 L CB -0.560 41.516 42.059 0.029 0.000 0.896 398 L HN 0.265 nan 8.230 nan 0.000 0.432 399 F N 1.078 121.171 119.950 0.237 0.000 2.063 399 F HA -0.351 4.176 4.527 -0.000 0.000 0.298 399 F C 2.406 178.296 175.800 0.150 0.000 1.109 399 F CA 1.535 59.708 58.000 0.288 0.000 1.212 399 F CB -0.527 38.496 39.000 0.039 0.000 0.973 399 F HN 0.027 nan 8.300 nan 0.000 0.480 400 A N 0.609 123.491 122.820 0.104 0.000 1.877 400 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 400 A C 2.337 179.948 177.584 0.046 0.000 1.186 400 A CA 1.889 53.996 52.037 0.116 0.000 0.620 400 A CB -1.271 18.073 19.000 0.572 0.000 0.822 400 A HN 0.509 nan 8.150 nan 0.000 0.443 401 L N -1.202 120.042 121.223 0.035 0.000 2.083 401 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 401 L C 2.599 179.325 176.870 -0.239 0.000 1.083 401 L CA 1.351 56.135 54.840 -0.093 0.000 0.752 401 L CB -0.456 41.471 42.059 -0.220 0.000 0.899 401 L HN 0.405 nan 8.230 nan 0.000 0.433 402 M N -1.112 118.301 119.600 -0.311 0.000 2.595 402 M HA -0.037 4.443 4.480 -0.000 0.000 0.248 402 M C 0.321 176.550 176.300 -0.119 0.000 1.119 402 M CA 0.480 55.637 55.300 -0.238 0.000 1.079 402 M CB -0.133 32.323 32.600 -0.240 0.000 1.472 402 M HN 0.008 nan 8.290 nan 0.000 0.501 403 D N 1.235 121.546 120.400 -0.149 0.000 2.741 403 D HA 0.023 4.663 4.640 -0.000 0.000 0.233 403 D C 1.048 177.300 176.300 -0.080 0.000 1.160 403 D CA 0.167 54.080 54.000 -0.144 0.000 1.003 403 D CB 0.334 40.971 40.800 -0.272 0.000 1.064 403 D HN 0.043 nan 8.370 nan 0.000 0.503 404 E N 1.704 121.881 120.200 -0.037 0.000 2.108 404 E HA -0.223 4.127 4.350 -0.000 0.000 0.203 404 E C 1.530 178.118 176.600 -0.019 0.000 1.022 404 E CA 1.714 58.108 56.400 -0.009 0.000 0.823 404 E CB -0.182 29.528 29.700 0.016 0.000 0.744 404 E HN 0.402 nan 8.360 nan 0.000 0.456 405 A N -0.034 122.772 122.820 -0.024 0.000 2.235 405 A HA -0.011 4.309 4.320 -0.000 0.000 0.208 405 A C 0.178 177.696 177.584 -0.110 0.000 1.172 405 A CA 0.908 52.934 52.037 -0.019 0.000 0.786 405 A CB -0.242 18.767 19.000 0.016 0.000 0.804 405 A HN 0.292 nan 8.150 nan 0.000 0.479 406 D N -0.372 119.927 120.400 -0.169 0.000 2.751 406 D HA -0.172 4.468 4.640 -0.000 0.000 0.233 406 D C 0.938 176.967 176.300 -0.450 0.000 1.149 406 D CA 1.239 55.048 54.000 -0.319 0.000 0.682 406 D CB -1.314 39.236 40.800 -0.417 0.000 1.068 406 D HN 0.729 nan 8.370 nan 0.000 0.429 407 E N -0.910 119.184 120.200 -0.178 0.000 2.085 407 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 407 E C 1.796 178.404 176.600 0.012 0.000 0.994 407 E CA 1.121 57.497 56.400 -0.040 0.000 0.801 407 E CB -0.184 29.536 29.700 0.034 0.000 0.743 407 E HN 0.654 nan 8.360 nan 0.000 0.453 408 Y N 2.229 122.461 120.300 -0.114 0.000 2.145 408 Y HA -0.218 4.332 4.550 -0.000 0.000 0.286 408 Y C 2.436 178.293 175.900 -0.071 0.000 1.145 408 Y CA 1.931 59.996 58.100 -0.059 0.000 1.148 408 Y CB -0.039 38.382 38.460 -0.064 0.000 0.981 408 Y HN -0.166 nan 8.280 nan 0.000 0.507 409 K N -1.084 119.314 120.400 -0.003 0.000 2.057 409 K HA -0.236 4.084 4.320 -0.000 0.000 0.207 409 K C 1.842 178.410 176.600 -0.052 0.000 1.049 409 K CA 1.834 58.096 56.287 -0.041 0.000 0.931 409 K CB -0.315 32.167 32.500 -0.030 0.000 0.714 409 K HN 0.430 nan 8.250 nan 0.000 0.440 410 H N 0.048 119.086 119.070 -0.054 0.000 2.389 410 H HA -0.032 4.524 4.556 -0.000 0.000 0.299 410 H C 2.076 177.345 175.328 -0.098 0.000 1.081 410 H CA 1.668 57.680 56.048 -0.059 0.000 1.345 410 H CB -0.626 29.120 29.762 -0.028 0.000 1.393 410 H HN 0.247 nan 8.280 nan 0.000 0.520 411 T N 1.713 116.260 114.554 -0.013 0.000 2.746 411 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 411 T C 2.389 176.967 174.700 -0.204 0.000 1.039 411 T CA 0.862 62.905 62.100 -0.095 0.000 1.142 411 T CB -0.263 68.541 68.868 -0.107 0.000 0.866 411 T HN 0.185 nan 8.240 nan 0.000 0.444 412 L N 0.354 121.374 121.223 -0.338 0.000 2.056 412 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 412 L C 2.660 179.438 176.870 -0.154 0.000 1.078 412 L CA 1.357 55.962 54.840 -0.391 0.000 0.749 412 L CB -0.514 41.223 42.059 -0.536 0.000 0.901 412 L HN 0.250 nan 8.230 nan 0.000 0.433 413 K N -0.009 120.360 120.400 -0.051 0.000 2.057 413 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 413 K C 2.114 178.691 176.600 -0.039 0.000 1.049 413 K CA 1.328 57.622 56.287 0.012 0.000 0.931 413 K CB -0.128 32.402 32.500 0.049 0.000 0.714 413 K HN 0.399 nan 8.250 nan 0.000 0.440 414 Q N 0.472 120.241 119.800 -0.052 0.000 2.167 414 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 414 Q C 2.123 178.074 176.000 -0.081 0.000 0.970 414 Q CA 0.770 56.537 55.803 -0.060 0.000 0.855 414 Q CB -0.074 28.636 28.738 -0.048 0.000 0.911 414 Q HN 0.177 nan 8.270 nan 0.000 0.438 415 L N 0.667 121.822 121.223 -0.115 0.000 2.056 415 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 415 L C 1.967 178.754 176.870 -0.137 0.000 1.078 415 L CA 1.450 56.214 54.840 -0.127 0.000 0.749 415 L CB -0.391 41.553 42.059 -0.192 0.000 0.901 415 L HN 0.162 nan 8.230 nan 0.000 0.433 416 I N -0.417 120.064 120.570 -0.147 0.000 2.179 416 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 416 I C 2.602 178.624 176.117 -0.159 0.000 1.088 416 I CA 1.097 62.294 61.300 -0.172 0.000 1.357 416 I CB -1.229 36.692 38.000 -0.133 0.000 1.051 416 I HN 0.324 nan 8.210 nan 0.000 0.409 417 R N 0.446 120.880 120.500 -0.109 0.000 2.081 417 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 417 R C 2.264 178.511 176.300 -0.089 0.000 1.131 417 R CA 1.121 57.167 56.100 -0.090 0.000 0.960 417 R CB -0.979 29.282 30.300 -0.065 0.000 0.856 417 R HN 0.310 nan 8.270 nan 0.000 0.436 418 R N 0.997 121.444 120.500 -0.088 0.000 2.096 418 R HA -0.039 4.301 4.340 -0.000 0.000 0.235 418 R C 2.187 178.425 176.300 -0.104 0.000 1.127 418 R CA 1.480 57.537 56.100 -0.071 0.000 0.968 418 R CB -0.086 30.183 30.300 -0.051 0.000 0.861 418 R HN 0.120 nan 8.270 nan 0.000 0.440 419 R N -0.111 120.275 120.500 -0.189 0.000 2.075 419 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 419 R C 2.286 178.377 176.300 -0.348 0.000 1.126 419 R CA 1.563 57.451 56.100 -0.354 0.000 0.963 419 R CB -0.340 29.557 30.300 -0.672 0.000 0.858 419 R HN 0.409 nan 8.270 nan 0.000 0.435 420 E N 0.307 120.365 120.200 -0.237 0.000 2.058 420 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 420 E C 1.443 178.088 176.600 0.076 0.000 0.997 420 E CA 1.672 58.040 56.400 -0.052 0.000 0.801 420 E CB 0.084 29.773 29.700 -0.018 0.000 0.746 420 E HN 0.185 nan 8.360 nan 0.000 0.450 421 T N -0.045 114.515 114.554 0.011 0.000 2.803 421 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 421 T C 1.760 176.486 174.700 0.043 0.000 1.052 421 T CA 1.683 63.806 62.100 0.039 0.000 1.136 421 T CB -0.305 68.564 68.868 0.001 0.000 0.864 421 T HN 0.239 nan 8.240 nan 0.000 0.467 422 T N 1.852 116.406 114.554 0.001 0.000 2.857 422 T HA 0.045 4.395 4.350 -0.000 0.000 0.266 422 T C 1.827 176.526 174.700 -0.002 0.000 1.048 422 T CA 0.602 62.708 62.100 0.010 0.000 1.139 422 T CB -0.279 68.602 68.868 0.021 0.000 0.874 422 T HN 0.176 nan 8.240 nan 0.000 0.455 423 L N 0.090 121.276 121.223 -0.062 0.000 2.156 423 L HA 0.059 4.399 4.340 -0.000 0.000 0.208 423 L C 1.162 177.847 176.870 -0.308 0.000 1.095 423 L CA 1.635 56.358 54.840 -0.194 0.000 0.770 423 L CB -0.377 41.464 42.059 -0.364 0.000 0.914 423 L HN 0.280 nan 8.230 nan 0.000 0.439 424 Y N -1.375 118.915 120.300 -0.017 0.000 2.524 424 Y HA 0.226 4.776 4.550 -0.000 0.000 0.266 424 Y C 2.209 178.096 175.900 -0.020 0.000 1.180 424 Y CA -0.098 57.991 58.100 -0.018 0.000 1.244 424 Y CB -0.258 38.185 38.460 -0.027 0.000 1.125 424 Y HN 0.120 nan 8.280 nan 0.000 0.524 425 R N 1.485 122.032 120.500 0.079 0.000 2.094 425 R HA -0.195 4.145 4.340 -0.000 0.000 0.239 425 R C 0.695 177.014 176.300 0.031 0.000 1.137 425 R CA 2.188 58.317 56.100 0.047 0.000 0.943 425 R CB -0.055 30.261 30.300 0.027 0.000 0.850 425 R HN 0.400 nan 8.270 nan 0.000 0.433 426 E N -0.011 120.200 120.200 0.019 0.000 2.368 426 E HA 0.052 4.402 4.350 -0.000 0.000 0.188 426 E C 0.288 176.891 176.600 0.005 0.000 1.061 426 E CA -0.089 56.313 56.400 0.003 0.000 0.933 426 E CB 0.476 30.177 29.700 0.003 0.000 1.091 426 E HN 0.405 nan 8.360 nan 0.000 0.458 427 L N -0.459 120.792 121.223 0.045 0.000 3.122 427 L HA 0.321 4.661 4.340 -0.000 0.000 0.274 427 L C 0.913 177.831 176.870 0.079 0.000 1.222 427 L CA -0.211 54.677 54.840 0.080 0.000 1.028 427 L CB 0.755 42.909 42.059 0.158 0.000 1.386 427 L HN 0.243 nan 8.230 nan 0.000 0.578 428 G N 0.625 109.438 108.800 0.023 0.000 2.149 428 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.235 428 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.235 428 G C 0.229 175.130 174.900 0.002 0.000 1.018 428 G CA 0.022 45.115 45.100 -0.012 0.000 0.728 428 G HN 0.163 nan 8.290 nan 0.000 0.508 429 M N -2.879 116.748 119.600 0.045 0.000 7.092 429 M HA -0.093 4.387 4.480 -0.000 0.000 0.157 429 M C -2.486 173.740 176.300 -0.123 0.000 0.645 429 M CA 0.257 55.562 55.300 0.009 0.000 1.294 429 M CB -2.078 30.501 32.600 -0.036 0.000 0.567 429 M HN 0.152 nan 8.290 nan 0.000 0.190 430 P HA 0.357 nan 4.420 nan 0.000 0.269 430 P C -2.126 174.885 177.300 -0.483 0.000 1.215 430 P CA -0.565 62.099 63.100 -0.727 0.000 0.780 430 P CB -0.080 31.398 31.700 -0.370 0.000 0.898 431 P HA -0.034 nan 4.420 nan 0.000 0.271 431 P C -0.494 176.707 177.300 -0.165 0.000 1.233 431 P CA -0.076 62.869 63.100 -0.259 0.000 0.795 431 P CB 0.211 31.787 31.700 -0.207 0.000 0.936 432 L N 1.729 122.893 121.223 -0.099 0.000 2.418 432 L HA 0.171 4.511 4.340 -0.000 0.000 0.274 432 L C 0.558 177.394 176.870 -0.058 0.000 1.135 432 L CA 0.201 54.999 54.840 -0.070 0.000 0.870 432 L CB -0.368 41.663 42.059 -0.047 0.000 1.154 432 L HN 0.264 nan 8.230 nan 0.000 0.462 433 R N 3.692 124.158 120.500 -0.056 0.000 2.500 433 R HA 0.442 4.782 4.340 -0.000 0.000 0.277 433 R C -0.962 175.323 176.300 -0.025 0.000 1.026 433 R CA -0.441 55.633 56.100 -0.042 0.000 1.058 433 R CB 0.930 31.201 30.300 -0.049 0.000 1.078 433 R HN 0.887 nan 8.270 nan 0.000 0.509 434 D N 0.493 120.885 120.400 -0.013 0.000 2.758 434 D HA 0.022 4.662 4.640 -0.000 0.000 0.279 434 D C 0.404 176.705 176.300 0.003 0.000 1.111 434 D CA -0.597 53.399 54.000 -0.005 0.000 1.109 434 D CB 0.310 41.110 40.800 -0.000 0.000 1.428 434 D HN 0.651 nan 8.370 nan 0.000 0.586 435 E N -0.400 119.805 120.200 0.008 0.000 2.153 435 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 435 E C 0.558 177.177 176.600 0.032 0.000 0.988 435 E CA 0.858 57.269 56.400 0.017 0.000 0.811 435 E CB -0.490 29.220 29.700 0.016 0.000 0.746 435 E HN 0.317 nan 8.360 nan 0.000 0.466 436 N N 1.233 119.952 118.700 0.033 0.000 2.398 436 N HA 0.119 4.859 4.740 -0.000 0.000 0.188 436 N C -0.041 175.494 175.510 0.042 0.000 1.122 436 N CA 0.552 53.632 53.050 0.049 0.000 0.866 436 N CB 0.462 38.975 38.487 0.045 0.000 0.970 436 N HN 0.168 nan 8.380 nan 0.000 0.462 437 A N 0.422 123.257 122.820 0.024 0.000 2.450 437 A HA 0.358 4.678 4.320 -0.000 0.000 0.255 437 A C 1.156 178.743 177.584 0.005 0.000 1.096 437 A CA -0.310 51.730 52.037 0.004 0.000 0.778 437 A CB 0.645 19.640 19.000 -0.009 0.000 1.031 437 A HN -0.009 nan 8.150 nan 0.000 0.494 438 V N 1.426 121.328 119.914 -0.021 0.000 2.840 438 V HA 0.125 4.245 4.120 -0.000 0.000 0.234 438 V C 0.269 176.315 176.094 -0.080 0.000 1.159 438 V CA 0.936 63.222 62.300 -0.023 0.000 1.194 438 V CB -0.693 31.107 31.823 -0.038 0.000 0.971 438 V HN 0.944 nan 8.190 nan 0.000 0.494 439 D N -1.513 118.807 120.400 -0.134 0.000 2.988 439 D HA -0.232 4.408 4.640 -0.000 0.000 0.221 439 D C 0.438 176.570 176.300 -0.280 0.000 1.122 439 D CA 0.914 54.815 54.000 -0.166 0.000 0.821 439 D CB -1.676 39.051 40.800 -0.122 0.000 1.098 439 D HN 0.595 nan 8.370 nan 0.000 0.433 440 Y N -0.133 119.808 120.300 -0.597 0.000 2.242 440 Y HA -0.078 4.472 4.550 -0.000 0.000 0.291 440 Y C 0.565 175.971 175.900 -0.825 0.000 1.137 440 Y CA 1.515 59.086 58.100 -0.882 0.000 1.181 440 Y CB 0.271 37.924 38.460 -1.345 0.000 0.989 440 Y HN 0.126 nan 8.280 nan 0.000 0.527 441 Y N -0.230 119.955 120.300 -0.191 0.000 2.335 441 Y HA 0.391 4.941 4.550 -0.000 0.000 0.338 441 Y C 0.105 175.908 175.900 -0.162 0.000 0.977 441 Y CA -0.990 57.007 58.100 -0.173 0.000 1.114 441 Y CB 1.741 40.081 38.460 -0.200 0.000 1.182 441 Y HN -0.316 nan 8.280 nan 0.000 0.463 442 T N 4.451 119.031 114.554 0.043 0.000 2.829 442 T HA 0.462 4.812 4.350 -0.000 0.000 0.280 442 T C -1.356 173.392 174.700 0.082 0.000 0.999 442 T CA -0.630 61.500 62.100 0.049 0.000 0.983 442 T CB 0.576 69.502 68.868 0.097 0.000 0.968 442 T HN 0.461 nan 8.240 nan 0.000 0.446 443 L N 6.537 127.812 121.223 0.087 0.000 2.275 443 L HA 0.612 4.952 4.340 -0.000 0.000 0.288 443 L C -0.730 176.263 176.870 0.206 0.000 1.046 443 L CA -0.191 54.717 54.840 0.113 0.000 0.805 443 L CB 0.587 42.710 42.059 0.106 0.000 1.193 443 L HN 0.635 nan 8.230 nan 0.000 0.426 444 I N 5.226 125.905 120.570 0.182 0.000 2.347 444 I HA 0.243 4.413 4.170 -0.000 0.000 0.283 444 I C -0.439 175.779 176.117 0.167 0.000 1.058 444 I CA -0.368 61.053 61.300 0.202 0.000 1.202 444 I CB 0.745 38.796 38.000 0.085 0.000 1.386 444 I HN 0.546 nan 8.210 nan 0.000 0.475 445 D N 6.125 126.639 120.400 0.189 0.000 2.317 445 D HA 0.062 4.702 4.640 -0.000 0.000 0.234 445 D C 0.887 177.249 176.300 0.103 0.000 1.112 445 D CA -0.518 53.580 54.000 0.163 0.000 0.840 445 D CB 1.823 42.756 40.800 0.222 0.000 1.078 445 D HN 0.350 nan 8.370 nan 0.000 0.486 446 L N 4.881 126.142 121.223 0.064 0.000 2.021 446 L HA -0.245 4.095 4.340 -0.000 0.000 0.215 446 L C 2.429 179.305 176.870 0.010 0.000 1.074 446 L CA 2.141 57.000 54.840 0.032 0.000 0.760 446 L CB -0.670 41.385 42.059 -0.006 0.000 0.889 446 L HN 0.673 nan 8.230 nan 0.000 0.433 447 Q N -1.222 118.567 119.800 -0.018 0.000 2.084 447 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 447 Q C 1.797 177.801 176.000 0.006 0.000 0.978 447 Q CA 2.005 57.785 55.803 -0.039 0.000 0.844 447 Q CB -0.123 28.576 28.738 -0.065 0.000 0.898 447 Q HN 0.572 nan 8.270 nan 0.000 0.426 448 D N -0.281 120.140 120.400 0.035 0.000 2.097 448 D HA -0.135 4.505 4.640 -0.000 0.000 0.195 448 D C 2.028 178.360 176.300 0.054 0.000 0.989 448 D CA 1.326 55.355 54.000 0.048 0.000 0.827 448 D CB -0.129 40.714 40.800 0.071 0.000 0.966 448 D HN 0.162 nan 8.370 nan 0.000 0.456 449 V N 1.531 121.492 119.914 0.078 0.000 2.343 449 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 449 V C 2.764 178.899 176.094 0.068 0.000 1.051 449 V CA 2.246 64.596 62.300 0.084 0.000 1.036 449 V CB -1.003 30.886 31.823 0.109 0.000 0.654 449 V HN 0.369 nan 8.190 nan 0.000 0.451 450 T N -0.637 113.976 114.554 0.099 0.000 2.708 450 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 450 T C 2.006 176.818 174.700 0.187 0.000 1.037 450 T CA 1.557 63.776 62.100 0.199 0.000 1.146 450 T CB -0.695 68.268 68.868 0.160 0.000 0.865 450 T HN 0.472 nan 8.240 nan 0.000 0.435 451 A N 2.540 125.423 122.820 0.105 0.000 1.873 451 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 451 A C 2.439 180.049 177.584 0.044 0.000 1.193 451 A CA 2.089 54.180 52.037 0.089 0.000 0.629 451 A CB -0.780 18.248 19.000 0.047 0.000 0.826 451 A HN 0.620 nan 8.150 nan 0.000 0.447 452 K N -0.649 119.755 120.400 0.007 0.000 2.074 452 K HA -0.120 4.200 4.320 -0.000 0.000 0.209 452 K C 1.913 178.447 176.600 -0.109 0.000 1.048 452 K CA 1.596 57.861 56.287 -0.037 0.000 0.926 452 K CB -0.397 32.083 32.500 -0.034 0.000 0.713 452 K HN 0.495 nan 8.250 nan 0.000 0.444 453 L N -1.114 119.999 121.223 -0.184 0.000 2.068 453 L HA -0.107 4.233 4.340 -0.000 0.000 0.204 453 L C 1.057 177.500 176.870 -0.711 0.000 1.076 453 L CA 1.157 55.689 54.840 -0.512 0.000 0.753 453 L CB 0.066 41.712 42.059 -0.688 0.000 0.910 453 L HN 0.195 nan 8.230 nan 0.000 0.439 454 Y N -0.519 119.734 120.300 -0.079 0.000 2.698 454 Y HA 0.440 4.990 4.550 -0.000 0.000 0.261 454 Y C 0.752 176.665 175.900 0.022 0.000 1.104 454 Y CA -0.453 57.533 58.100 -0.190 0.000 1.145 454 Y CB 0.683 38.794 38.460 -0.582 0.000 1.191 454 Y HN 0.137 nan 8.280 nan 0.000 0.564 455 G N 0.882 109.769 108.800 0.146 0.000 2.778 455 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.686 455 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.686 455 G C 0.519 175.517 174.900 0.163 0.000 1.309 455 G CA -0.376 44.807 45.100 0.139 0.000 0.904 455 G HN 0.310 nan 8.290 nan 0.000 0.593 456 E N 0.943 121.207 120.200 0.106 0.000 2.114 456 E HA -0.290 4.060 4.350 -0.000 0.000 0.199 456 E C 2.923 179.580 176.600 0.096 0.000 1.008 456 E CA 2.165 58.614 56.400 0.081 0.000 0.810 456 E CB -0.684 29.050 29.700 0.058 0.000 0.739 456 E HN 1.215 nan 8.360 nan 0.000 0.456 457 A N 1.282 124.179 122.820 0.128 0.000 1.892 457 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 457 A C 2.102 179.783 177.584 0.162 0.000 1.188 457 A CA 1.735 53.867 52.037 0.158 0.000 0.631 457 A CB -0.917 18.199 19.000 0.193 0.000 0.822 457 A HN 0.309 nan 8.150 nan 0.000 0.447 458 F N 0.936 120.852 119.950 -0.057 0.000 2.234 458 F HA -0.069 4.458 4.527 -0.000 0.000 0.299 458 F C 2.586 178.400 175.800 0.023 0.000 1.087 458 F CA 1.373 59.222 58.000 -0.252 0.000 1.340 458 F CB -0.531 38.339 39.000 -0.217 0.000 1.031 458 F HN 0.251 nan 8.300 nan 0.000 0.500 459 S N 0.343 115.984 115.700 -0.097 0.000 2.351 459 S HA -0.262 4.208 4.470 -0.000 0.000 0.220 459 S C 1.994 176.481 174.600 -0.188 0.000 1.035 459 S CA 1.865 59.958 58.200 -0.179 0.000 1.031 459 S CB -0.647 62.537 63.200 -0.027 0.000 0.928 459 S HN 0.635 nan 8.310 nan 0.000 0.433 460 E N -0.634 119.531 120.200 -0.059 0.000 2.097 460 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 460 E C 1.739 178.325 176.600 -0.022 0.000 1.000 460 E CA 1.578 57.965 56.400 -0.023 0.000 0.804 460 E CB -0.335 29.394 29.700 0.047 0.000 0.740 460 E HN 0.820 nan 8.360 nan 0.000 0.454 461 W N 1.431 122.655 121.300 -0.127 0.000 2.378 461 W HA -0.078 4.582 4.660 -0.000 0.000 0.313 461 W C 2.484 178.902 176.519 -0.168 0.000 1.197 461 W CA 1.840 59.145 57.345 -0.067 0.000 1.304 461 W CB -0.574 28.957 29.460 0.119 0.000 1.148 461 W HN 0.002 nan 8.180 nan 0.000 0.494 462 A N 0.035 122.483 122.820 -0.621 0.000 1.978 462 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 462 A C 2.031 179.296 177.584 -0.532 0.000 1.170 462 A CA 2.289 53.850 52.037 -0.793 0.000 0.636 462 A CB -1.214 17.281 19.000 -0.841 0.000 0.810 462 A HN 0.226 nan 8.150 nan 0.000 0.448 463 V N 0.604 120.290 119.914 -0.379 0.000 2.343 463 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 463 V C 2.137 178.074 176.094 -0.262 0.000 1.051 463 V CA 2.108 64.254 62.300 -0.257 0.000 1.036 463 V CB -0.516 31.193 31.823 -0.190 0.000 0.654 463 V HN 0.490 nan 8.190 nan 0.000 0.451 464 K N -0.196 120.017 120.400 -0.312 0.000 2.555 464 K HA -0.019 4.301 4.320 -0.000 0.000 0.193 464 K C 1.754 178.144 176.600 -0.350 0.000 1.032 464 K CA 0.542 56.663 56.287 -0.276 0.000 1.004 464 K CB 0.006 32.370 32.500 -0.225 0.000 0.804 464 K HN 0.475 nan 8.250 nan 0.000 0.496 465 Q N -0.266 119.246 119.800 -0.480 0.000 2.402 465 Q HA 0.159 4.499 4.340 -0.000 0.000 0.231 465 Q C 0.495 176.347 176.000 -0.247 0.000 0.888 465 Q CA 0.360 55.893 55.803 -0.450 0.000 0.938 465 Q CB 0.916 29.188 28.738 -0.777 0.000 1.086 465 Q HN 0.059 nan 8.270 nan 0.000 0.543 466 S N 0.365 115.939 115.700 -0.210 0.000 2.798 466 S HA 0.655 5.125 4.470 -0.000 0.000 0.312 466 S C -0.294 174.251 174.600 -0.091 0.000 1.122 466 S CA -0.572 57.559 58.200 -0.114 0.000 0.949 466 S CB 1.918 65.070 63.200 -0.081 0.000 1.235 466 S HN 0.252 nan 8.310 nan 0.000 0.552 467 S N -0.916 114.754 115.700 -0.050 0.000 2.579 467 S HA 0.446 4.916 4.470 -0.000 0.000 0.272 467 S C 0.623 175.219 174.600 -0.007 0.000 1.141 467 S CA -0.585 57.593 58.200 -0.036 0.000 0.843 467 S CB 0.858 64.038 63.200 -0.033 0.000 1.122 467 S HN 0.456 nan 8.310 nan 0.000 0.468 468 T N 2.157 116.712 114.554 0.003 0.000 2.592 468 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 468 T C 2.029 176.752 174.700 0.039 0.000 1.060 468 T CA 2.521 64.638 62.100 0.028 0.000 1.167 468 T CB -1.268 67.624 68.868 0.039 0.000 0.863 468 T HN 1.010 nan 8.240 nan 0.000 0.431 469 G N 1.305 110.124 108.800 0.031 0.000 2.450 469 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 469 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 469 G C 1.323 176.266 174.900 0.072 0.000 1.130 469 G CA 1.081 46.207 45.100 0.045 0.000 0.760 469 G HN 0.439 nan 8.290 nan 0.000 0.557 470 D N -0.127 120.302 120.400 0.048 0.000 2.123 470 D HA -0.053 4.587 4.640 -0.000 0.000 0.200 470 D C 2.330 178.699 176.300 0.115 0.000 0.976 470 D CA 0.632 54.677 54.000 0.075 0.000 0.831 470 D CB -0.253 40.565 40.800 0.029 0.000 0.974 470 D HN 0.329 nan 8.370 nan 0.000 0.469 471 M N 0.555 120.198 119.600 0.071 0.000 2.067 471 M HA -0.139 4.341 4.480 -0.000 0.000 0.260 471 M C 2.047 178.388 176.300 0.068 0.000 1.069 471 M CA 1.318 56.654 55.300 0.061 0.000 1.117 471 M CB -0.020 32.605 32.600 0.041 0.000 1.334 471 M HN -0.061 nan 8.290 nan 0.000 0.407 472 L N -0.834 120.435 121.223 0.076 0.000 2.131 472 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 472 L C 2.416 179.334 176.870 0.081 0.000 1.092 472 L CA 1.204 56.083 54.840 0.065 0.000 0.759 472 L CB -0.853 41.245 42.059 0.065 0.000 0.903 472 L HN 0.373 nan 8.230 nan 0.000 0.435 473 F N 0.267 120.215 119.950 -0.004 0.000 2.234 473 F HA -0.044 4.483 4.527 -0.000 0.000 0.296 473 F C 2.747 178.546 175.800 -0.003 0.000 1.089 473 F CA 0.898 58.896 58.000 -0.004 0.000 1.343 473 F CB -0.101 38.897 39.000 -0.003 0.000 1.040 473 F HN -0.166 nan 8.300 nan 0.000 0.498 474 R N 0.934 121.479 120.500 0.074 0.000 2.070 474 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 474 R C 2.335 178.573 176.300 -0.103 0.000 1.138 474 R CA 2.059 58.155 56.100 -0.007 0.000 0.936 474 R CB -1.101 29.238 30.300 0.065 0.000 0.839 474 R HN 0.377 nan 8.270 nan 0.000 0.429 475 I N 0.591 121.125 120.570 -0.060 0.000 2.118 475 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 475 I C 2.520 178.560 176.117 -0.128 0.000 1.070 475 I CA 1.626 62.881 61.300 -0.075 0.000 1.327 475 I CB -0.520 37.451 38.000 -0.049 0.000 1.034 475 I HN 0.152 nan 8.210 nan 0.000 0.405 476 A N 0.110 122.834 122.820 -0.160 0.000 1.978 476 A HA -0.313 4.007 4.320 -0.000 0.000 0.220 476 A C 1.971 179.383 177.584 -0.288 0.000 1.170 476 A CA 2.424 54.342 52.037 -0.198 0.000 0.636 476 A CB -0.767 18.124 19.000 -0.181 0.000 0.810 476 A HN 0.516 nan 8.150 nan 0.000 0.448 477 D N -1.100 119.037 120.400 -0.439 0.000 2.149 477 D HA -0.088 4.552 4.640 -0.000 0.000 0.201 477 D C 1.946 178.108 176.300 -0.230 0.000 0.972 477 D CA 1.300 55.025 54.000 -0.459 0.000 0.835 477 D CB -0.014 40.389 40.800 -0.662 0.000 0.966 477 D HN 0.587 nan 8.370 nan 0.000 0.476 478 E N -1.305 118.792 120.200 -0.170 0.000 2.318 478 E HA -0.021 4.329 4.350 -0.000 0.000 0.193 478 E C 1.558 178.110 176.600 -0.080 0.000 0.998 478 E CA 1.215 57.556 56.400 -0.098 0.000 0.859 478 E CB 0.385 30.045 29.700 -0.066 0.000 0.812 478 E HN 0.413 nan 8.360 nan 0.000 0.492 479 T N -4.976 109.519 114.554 -0.098 0.000 2.987 479 T HA 0.313 4.663 4.350 -0.000 0.000 0.248 479 T C 1.566 176.209 174.700 -0.094 0.000 0.997 479 T CA 0.529 62.576 62.100 -0.089 0.000 1.013 479 T CB 1.064 69.871 68.868 -0.102 0.000 1.077 479 T HN 0.189 nan 8.240 nan 0.000 0.483 480 G N 1.789 110.525 108.800 -0.107 0.000 2.232 480 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.226 480 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.226 480 G C -0.008 174.830 174.900 -0.102 0.000 0.996 480 G CA -0.086 44.957 45.100 -0.096 0.000 0.626 480 G HN 0.583 nan 8.290 nan 0.000 0.509 481 I N 2.194 122.693 120.570 -0.118 0.000 2.312 481 I HA 0.454 4.624 4.170 -0.000 0.000 0.291 481 I C 0.533 176.596 176.117 -0.090 0.000 1.031 481 I CA -0.730 60.498 61.300 -0.119 0.000 1.293 481 I CB 1.091 38.998 38.000 -0.156 0.000 1.403 481 I HN -0.121 nan 8.210 nan 0.000 0.484 482 V N 7.534 127.407 119.914 -0.068 0.000 2.383 482 V HA 0.337 4.457 4.120 -0.000 0.000 0.275 482 V C 0.700 176.777 176.094 -0.029 0.000 1.036 482 V CA -0.432 61.843 62.300 -0.043 0.000 0.889 482 V CB 1.572 33.378 31.823 -0.027 0.000 0.985 482 V HN 0.500 nan 8.190 nan 0.000 0.459 483 L N 4.831 126.043 121.223 -0.018 0.000 2.488 483 L HA 0.524 4.864 4.340 -0.000 0.000 0.249 483 L C -0.159 176.709 176.870 -0.003 0.000 1.151 483 L CA -0.759 54.078 54.840 -0.006 0.000 0.806 483 L CB 0.671 42.732 42.059 0.003 0.000 1.261 483 L HN 0.367 nan 8.230 nan 0.000 0.484 484 L N 1.193 122.412 121.223 -0.007 0.000 2.275 484 L HA 0.336 4.676 4.340 -0.000 0.000 0.288 484 L C -2.195 174.671 176.870 -0.006 0.000 1.046 484 L CA -1.734 53.092 54.840 -0.024 0.000 0.805 484 L CB 1.449 43.465 42.059 -0.072 0.000 1.193 484 L HN 0.201 nan 8.230 nan 0.000 0.426 485 P HA -0.019 nan 4.420 nan 0.000 0.263 485 P C 0.011 177.333 177.300 0.037 0.000 1.195 485 P CA -0.069 63.049 63.100 0.030 0.000 0.762 485 P CB 0.548 32.264 31.700 0.028 0.000 0.799 486 G N 3.381 112.231 108.800 0.083 0.000 2.367 486 G HA2 0.387 4.347 3.960 -0.000 0.000 0.282 486 G HA3 0.387 4.347 3.960 -0.000 0.000 0.282 486 G C -0.043 174.956 174.900 0.164 0.000 1.140 486 G CA -0.011 45.164 45.100 0.126 0.000 1.088 486 G HN 0.600 nan 8.290 nan 0.000 0.431 487 A N 1.841 124.697 122.820 0.060 0.000 2.320 487 A HA 0.930 5.250 4.320 -0.000 0.000 0.334 487 A C 1.077 178.711 177.584 0.083 0.000 1.147 487 A CA 0.225 52.316 52.037 0.091 0.000 0.820 487 A CB 1.576 20.594 19.000 0.030 0.000 1.218 487 A HN 2.037 nan 8.150 nan 0.000 0.482 488 G N -0.428 108.501 108.800 0.214 0.000 2.797 488 G HA2 0.011 3.971 3.960 -0.000 0.000 0.195 488 G HA3 0.011 3.971 3.960 -0.000 0.000 0.195 488 G C -0.110 174.987 174.900 0.328 0.000 1.026 488 G CA 0.312 45.602 45.100 0.316 0.000 0.759 488 G HN 1.697 nan 8.290 nan 0.000 0.475 489 F N 1.053 121.125 119.950 0.203 0.000 2.593 489 F HA 0.673 5.200 4.527 -0.000 0.000 0.336 489 F C 0.627 176.450 175.800 0.038 0.000 1.491 489 F CA -1.959 56.076 58.000 0.058 0.000 1.114 489 F CB -0.354 38.615 39.000 -0.053 0.000 1.468 489 F HN 1.382 nan 8.300 nan 0.000 0.579 490 G N 1.526 110.471 108.800 0.242 0.000 2.505 490 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.191 490 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.191 490 G C 0.803 175.729 174.900 0.044 0.000 0.542 490 G CA 0.304 45.468 45.100 0.107 0.000 0.917 490 G HN 0.737 nan 8.290 nan 0.000 0.336 491 S N 2.119 117.856 115.700 0.062 0.000 2.559 491 S HA -0.403 4.067 4.470 -0.000 0.000 0.296 491 S C 2.204 176.764 174.600 -0.066 0.000 1.206 491 S CA 1.796 60.009 58.200 0.021 0.000 1.088 491 S CB -0.357 62.852 63.200 0.015 0.000 0.943 491 S HN 0.942 nan 8.310 nan 0.000 0.467 492 N N 1.349 119.990 118.700 -0.099 0.000 2.403 492 N HA -0.214 4.526 4.740 -0.000 0.000 0.203 492 N C 0.306 175.692 175.510 -0.207 0.000 0.983 492 N CA 1.324 54.287 53.050 -0.145 0.000 0.931 492 N CB -0.289 38.103 38.487 -0.157 0.000 0.975 492 N HN 0.650 nan 8.380 nan 0.000 0.470 493 R N 0.310 120.647 120.500 -0.271 0.000 2.513 493 R HA 0.420 4.760 4.340 -0.000 0.000 0.301 493 R C -2.863 173.367 176.300 -0.116 0.000 0.968 493 R CA -1.661 54.276 56.100 -0.272 0.000 0.872 493 R CB 1.719 31.687 30.300 -0.552 0.000 1.177 493 R HN -0.129 nan 8.270 nan 0.000 0.444 494 P HA 0.138 nan 4.420 nan 0.000 0.287 494 P C -0.977 176.342 177.300 0.031 0.000 1.294 494 P CA -0.121 62.971 63.100 -0.014 0.000 0.776 494 P CB 1.307 32.985 31.700 -0.036 0.000 0.889 495 S N 1.677 117.426 115.700 0.082 0.000 2.565 495 S HA 0.825 5.295 4.470 -0.000 0.000 0.274 495 S C -0.852 173.817 174.600 0.115 0.000 1.144 495 S CA -0.863 57.411 58.200 0.124 0.000 0.849 495 S CB 1.411 64.744 63.200 0.222 0.000 1.103 495 S HN 0.494 nan 8.310 nan 0.000 0.455 496 G N 0.299 109.156 108.800 0.095 0.000 2.642 496 G HA2 0.730 4.690 3.960 -0.000 0.000 0.293 496 G HA3 0.730 4.690 3.960 -0.000 0.000 0.293 496 G C -1.652 173.280 174.900 0.053 0.000 1.341 496 G CA -1.018 44.120 45.100 0.062 0.000 0.916 496 G HN 0.745 nan 8.290 nan 0.000 0.474 497 R N -0.522 119.991 120.500 0.022 0.000 2.514 497 R HA 0.736 5.076 4.340 -0.000 0.000 0.301 497 R C -0.097 176.227 176.300 0.039 0.000 0.962 497 R CA -0.291 55.821 56.100 0.019 0.000 0.882 497 R CB 2.067 32.342 30.300 -0.041 0.000 1.143 497 R HN 0.756 nan 8.270 nan 0.000 0.452 498 A N 1.018 123.881 122.820 0.071 0.000 2.346 498 A HA 0.642 4.962 4.320 -0.000 0.000 0.313 498 A C -0.954 176.712 177.584 0.138 0.000 1.140 498 A CA -0.594 51.497 52.037 0.091 0.000 0.826 498 A CB 1.927 20.985 19.000 0.095 0.000 1.332 498 A HN 0.522 nan 8.150 nan 0.000 0.457 499 S N -0.341 115.440 115.700 0.135 0.000 2.451 499 S HA 0.467 4.937 4.470 -0.000 0.000 0.301 499 S C 0.405 174.972 174.600 -0.056 0.000 1.116 499 S CA -0.638 57.561 58.200 -0.001 0.000 1.093 499 S CB 0.241 63.432 63.200 -0.015 0.000 1.017 499 S HN 0.545 nan 8.310 nan 0.000 0.482 500 L N 3.820 124.858 121.223 -0.308 0.000 2.610 500 L HA 0.175 4.515 4.340 -0.000 0.000 0.232 500 L C 1.954 178.636 176.870 -0.314 0.000 1.149 500 L CA 0.559 55.162 54.840 -0.396 0.000 0.872 500 L CB -0.359 41.454 42.059 -0.410 0.000 0.992 500 L HN 0.820 nan 8.230 nan 0.000 0.447 501 A N 0.079 122.664 122.820 -0.391 0.000 2.229 501 A HA 0.035 4.355 4.320 -0.000 0.000 0.211 501 A C 1.392 178.935 177.584 -0.067 0.000 1.193 501 A CA 0.134 52.011 52.037 -0.267 0.000 0.879 501 A CB -0.008 18.491 19.000 -0.835 0.000 0.911 501 A HN 0.499 nan 8.150 nan 0.000 0.492 502 N N -0.275 118.407 118.700 -0.029 0.000 2.235 502 N HA 0.332 5.072 4.740 -0.000 0.000 0.209 502 N C -0.190 175.296 175.510 -0.040 0.000 1.122 502 N CA 0.062 53.099 53.050 -0.023 0.000 0.845 502 N CB -0.009 38.461 38.487 -0.030 0.000 1.004 502 N HN 0.377 nan 8.380 nan 0.000 0.499 503 L N -0.884 120.344 121.223 0.007 0.000 2.322 503 L HA 0.439 4.779 4.340 -0.000 0.000 0.252 503 L C -0.501 176.346 176.870 -0.038 0.000 1.055 503 L CA -1.049 53.646 54.840 -0.241 0.000 0.849 503 L CB 1.868 43.390 42.059 -0.896 0.000 1.446 503 L HN -0.080 nan 8.230 nan 0.000 0.416 504 N N -0.493 118.087 118.700 -0.200 0.000 2.472 504 N HA 0.197 4.937 4.740 -0.000 0.000 0.289 504 N C 0.170 175.679 175.510 -0.001 0.000 1.156 504 N CA -0.719 52.326 53.050 -0.008 0.000 0.940 504 N CB 1.736 40.267 38.487 0.073 0.000 1.200 504 N HN 0.577 nan 8.380 nan 0.000 0.511 505 E N 0.454 120.758 120.200 0.174 0.000 2.055 505 E HA -0.351 3.999 4.350 -0.000 0.000 0.209 505 E C 1.617 178.274 176.600 0.093 0.000 1.036 505 E CA 2.128 58.644 56.400 0.193 0.000 0.849 505 E CB -0.431 29.362 29.700 0.155 0.000 0.767 505 E HN 0.732 nan 8.360 nan 0.000 0.461 506 Y N 1.241 121.563 120.300 0.037 0.000 2.283 506 Y HA -0.199 4.351 4.550 -0.000 0.000 0.285 506 Y C 1.646 177.523 175.900 -0.039 0.000 1.176 506 Y CA 1.516 59.617 58.100 0.002 0.000 1.229 506 Y CB -0.583 37.872 38.460 -0.009 0.000 0.975 506 Y HN 0.055 nan 8.280 nan 0.000 0.537 507 E N -0.569 119.106 120.200 -0.875 0.000 2.076 507 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 507 E C 1.701 178.031 176.600 -0.451 0.000 0.979 507 E CA 1.097 57.050 56.400 -0.744 0.000 0.807 507 E CB -0.388 28.767 29.700 -0.909 0.000 0.761 507 E HN 0.571 nan 8.360 nan 0.000 0.454 508 Y N 0.788 120.950 120.300 -0.230 0.000 2.403 508 Y HA -0.130 4.420 4.550 -0.000 0.000 0.291 508 Y C 2.256 178.071 175.900 -0.140 0.000 1.143 508 Y CA 0.913 58.910 58.100 -0.171 0.000 1.257 508 Y CB -0.383 37.989 38.460 -0.147 0.000 0.984 508 Y HN 0.070 nan 8.280 nan 0.000 0.550 509 A N -0.150 122.680 122.820 0.016 0.000 1.898 509 A HA 0.013 4.333 4.320 -0.000 0.000 0.214 509 A C 2.459 180.034 177.584 -0.015 0.000 1.183 509 A CA 1.328 53.374 52.037 0.015 0.000 0.622 509 A CB -1.116 17.913 19.000 0.049 0.000 0.824 509 A HN 0.346 nan 8.150 nan 0.000 0.444 510 A N 0.295 123.089 122.820 -0.042 0.000 1.883 510 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 510 A C 2.111 179.659 177.584 -0.059 0.000 1.186 510 A CA 1.583 53.595 52.037 -0.042 0.000 0.624 510 A CB -0.712 18.253 19.000 -0.059 0.000 0.822 510 A HN 0.486 nan 8.150 nan 0.000 0.444 511 I N -0.394 120.121 120.570 -0.091 0.000 2.151 511 I HA -0.298 3.872 4.170 -0.000 0.000 0.243 511 I C 2.688 178.765 176.117 -0.068 0.000 1.080 511 I CA 1.399 62.648 61.300 -0.085 0.000 1.339 511 I CB -0.727 37.215 38.000 -0.096 0.000 1.039 511 I HN 0.444 nan 8.210 nan 0.000 0.409 512 G N 0.173 108.931 108.800 -0.071 0.000 2.433 512 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 512 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 512 G C 1.742 176.626 174.900 -0.027 0.000 1.186 512 G CA 0.701 45.760 45.100 -0.069 0.000 0.779 512 G HN 0.255 nan 8.290 nan 0.000 0.543 513 R N 0.457 120.948 120.500 -0.015 0.000 2.103 513 R HA -0.114 4.226 4.340 -0.000 0.000 0.242 513 R C 2.867 179.173 176.300 0.009 0.000 1.142 513 R CA 1.739 57.841 56.100 0.004 0.000 0.960 513 R CB -0.379 29.926 30.300 0.007 0.000 0.858 513 R HN 0.324 nan 8.270 nan 0.000 0.439 514 A N 0.446 123.264 122.820 -0.003 0.000 1.898 514 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 514 A C 1.965 179.559 177.584 0.018 0.000 1.181 514 A CA 1.068 53.106 52.037 0.002 0.000 0.620 514 A CB -0.503 18.485 19.000 -0.020 0.000 0.819 514 A HN 0.344 nan 8.150 nan 0.000 0.442 515 L N -0.481 120.747 121.223 0.009 0.000 2.109 515 L HA -0.022 4.318 4.340 -0.000 0.000 0.207 515 L C 2.322 179.227 176.870 0.058 0.000 1.086 515 L CA 2.035 56.892 54.840 0.029 0.000 0.760 515 L CB -0.851 41.212 42.059 0.008 0.000 0.910 515 L HN 0.404 nan 8.230 nan 0.000 0.437 516 R N 0.423 120.951 120.500 0.048 0.000 2.070 516 R HA -0.194 4.146 4.340 -0.000 0.000 0.233 516 R C 2.341 178.705 176.300 0.106 0.000 1.137 516 R CA 2.102 58.244 56.100 0.069 0.000 0.945 516 R CB -0.626 29.699 30.300 0.043 0.000 0.845 516 R HN 0.391 nan 8.270 nan 0.000 0.430 517 K N -0.014 120.436 120.400 0.083 0.000 2.001 517 K HA -0.291 4.029 4.320 -0.000 0.000 0.223 517 K C 2.116 178.788 176.600 0.119 0.000 1.055 517 K CA 2.498 58.839 56.287 0.091 0.000 0.965 517 K CB -0.470 32.068 32.500 0.063 0.000 0.730 517 K HN 0.303 nan 8.250 nan 0.000 0.449 518 M N 0.269 119.932 119.600 0.105 0.000 2.103 518 M HA -0.287 4.193 4.480 -0.000 0.000 0.255 518 M C 1.985 178.396 176.300 0.185 0.000 1.074 518 M CA 2.363 57.736 55.300 0.123 0.000 1.090 518 M CB -0.239 32.418 32.600 0.095 0.000 1.325 518 M HN 0.384 nan 8.290 nan 0.000 0.403 519 A N -0.308 122.638 122.820 0.211 0.000 1.969 519 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 519 A C 1.611 179.434 177.584 0.399 0.000 1.169 519 A CA 2.025 54.261 52.037 0.333 0.000 0.635 519 A CB -0.757 18.425 19.000 0.303 0.000 0.810 519 A HN 0.611 nan 8.150 nan 0.000 0.445 520 D N -0.371 120.206 120.400 0.295 0.000 2.183 520 D HA -0.066 4.574 4.640 -0.000 0.000 0.203 520 D C 1.920 178.338 176.300 0.196 0.000 0.969 520 D CA 1.131 55.280 54.000 0.248 0.000 0.842 520 D CB -0.260 40.655 40.800 0.192 0.000 0.957 520 D HN 0.635 nan 8.370 nan 0.000 0.484 521 E N 0.380 120.695 120.200 0.192 0.000 2.015 521 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 521 E C 2.256 178.998 176.600 0.238 0.000 0.991 521 E CA 0.360 56.862 56.400 0.170 0.000 0.802 521 E CB -0.133 29.655 29.700 0.148 0.000 0.759 521 E HN 0.188 nan 8.360 nan 0.000 0.447 522 L N 0.233 121.655 121.223 0.332 0.000 2.263 522 L HA -0.228 4.112 4.340 -0.000 0.000 0.216 522 L C 2.285 179.569 176.870 0.690 0.000 1.111 522 L CA 0.911 56.071 54.840 0.532 0.000 0.773 522 L CB -0.241 42.146 42.059 0.546 0.000 0.906 522 L HN 0.241 nan 8.230 nan 0.000 0.439 523 Y N -0.383 120.008 120.300 0.152 0.000 2.347 523 Y HA 0.019 4.569 4.550 -0.000 0.000 0.294 523 Y C 2.395 178.188 175.900 -0.179 0.000 1.117 523 Y CA 0.593 58.486 58.100 -0.345 0.000 1.184 523 Y CB -0.092 37.770 38.460 -0.996 0.000 1.047 523 Y HN 0.060 nan 8.280 nan 0.000 0.546 524 A N 0.187 122.960 122.820 -0.078 0.000 1.933 524 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 524 A C 2.158 179.662 177.584 -0.133 0.000 1.175 524 A CA 1.870 53.832 52.037 -0.125 0.000 0.628 524 A CB -0.796 18.197 19.000 -0.013 0.000 0.814 524 A HN 0.611 nan 8.150 nan 0.000 0.444 525 E N -1.409 118.791 120.200 -0.001 0.000 2.031 525 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 525 E C 1.912 178.405 176.600 -0.178 0.000 0.994 525 E CA 1.545 57.954 56.400 0.014 0.000 0.800 525 E CB -0.489 29.355 29.700 0.240 0.000 0.752 525 E HN 0.655 nan 8.360 nan 0.000 0.447 526 Y N 1.058 121.119 120.300 -0.397 0.000 2.207 526 Y HA -0.186 4.364 4.550 -0.000 0.000 0.287 526 Y C 2.278 177.805 175.900 -0.622 0.000 1.156 526 Y CA 1.945 59.594 58.100 -0.751 0.000 1.182 526 Y CB -0.199 37.990 38.460 -0.451 0.000 0.979 526 Y HN 0.041 nan 8.280 nan 0.000 0.521 527 S N -0.245 115.141 115.700 -0.524 0.000 2.547 527 S HA -0.077 4.393 4.470 -0.000 0.000 0.235 527 S C 1.890 176.271 174.600 -0.366 0.000 0.980 527 S CA 0.806 58.689 58.200 -0.527 0.000 0.941 527 S CB -0.531 62.298 63.200 -0.618 0.000 0.763 527 S HN 0.704 nan 8.310 nan 0.000 0.532 528 G N 0.439 109.038 108.800 -0.335 0.000 2.744 528 G HA2 0.037 3.997 3.960 -0.000 0.000 0.211 528 G HA3 0.037 3.997 3.960 -0.000 0.000 0.211 528 G C 0.669 175.402 174.900 -0.278 0.000 1.146 528 G CA -0.186 44.767 45.100 -0.245 0.000 0.787 528 G HN 0.318 nan 8.290 nan 0.000 0.534 529 Q N 0.000 119.547 119.800 -0.421 0.000 2.315 529 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 529 Q CA 0.000 55.544 55.803 -0.432 0.000 1.022 529 Q CB 0.000 28.319 28.738 -0.699 0.000 1.108 529 Q HN 0.000 nan 8.270 nan 0.000 0.481