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 2e77_1_A DATA FIRST_RESID 8 DATA SEQUENCE YNAPSEIKYI DVVNTYDLEE EASKVVPHGG FNYIAGASGD EWTKRANDRA DATA SEQUENCE WKHKLLYPRL AQDVEAPDTS TEILGHKIKA PFIMAPIAAH GLAHTTKEAG DATA SEQUENCE TARAVSEFGT IMSISAYSGA TFEEISEGLN GGPRWFQIYM AKDDQQNRDI DATA SEQUENCE LDEAKSDGAT AIILTADSTV SGNRDRDVKN KFVYPFGMPI VQXXXXXXXX DATA SEQUENCE XXXXNNIYGA SKQKISPRDI EEIAGHSGLP VFVKGIQHPE DADMAIKRGA DATA SEQUENCE SGIWVSNHGA RQLYEAPGSF DTLPAIAERV NKRVPIVFDS GVRRGEHVAK DATA SEQUENCE ALASGADVVA LGRPVLFGLA LGGWQGAYSV LDYFQKDLTR VMQLTGSQNV DATA SEQUENCE EDLKGLDLFD NPYGYEY 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 8 Y HA 0.000 nan 4.550 nan 0.000 0.201 8 Y C 0.000 175.947 175.900 0.079 0.000 1.272 8 Y CA 0.000 58.140 58.100 0.066 0.000 1.940 8 Y CB 0.000 38.511 38.460 0.084 0.000 1.050 9 N N 4.522 123.040 118.700 -0.304 0.000 3.298 9 N HA 0.486 5.226 4.740 0.001 0.000 0.292 9 N C -0.314 175.070 175.510 -0.209 0.000 1.271 9 N CA 0.424 53.371 53.050 -0.172 0.000 1.184 9 N CB 0.217 38.630 38.487 -0.123 0.000 1.452 9 N HN 0.702 nan 8.380 nan 0.000 0.534 10 A N 2.435 125.229 122.820 -0.043 0.000 2.531 10 A HA 0.280 4.600 4.320 0.001 0.000 0.236 10 A C -1.946 175.630 177.584 -0.012 0.000 1.062 10 A CA -0.667 51.426 52.037 0.092 0.000 0.760 10 A CB -0.268 18.919 19.000 0.312 0.000 0.995 10 A HN 0.463 nan 8.150 nan 0.000 0.501 11 P HA 0.184 nan 4.420 nan 0.000 0.272 11 P C 0.489 177.584 177.300 -0.342 0.000 1.240 11 P CA 0.203 63.261 63.100 -0.071 0.000 0.791 11 P CB 0.824 32.553 31.700 0.048 0.000 0.978 12 S N -2.371 113.161 115.700 -0.280 0.000 2.787 12 S HA 0.109 4.580 4.470 0.001 0.000 0.255 12 S C 0.369 174.984 174.600 0.026 0.000 1.051 12 S CA -0.337 57.637 58.200 -0.377 0.000 1.124 12 S CB -0.390 62.717 63.200 -0.155 0.000 1.104 12 S HN 0.449 nan 8.310 nan 0.000 0.623 13 E N 1.576 121.847 120.200 0.120 0.000 2.376 13 E HA 0.299 4.649 4.350 0.001 0.000 0.266 13 E C -1.009 175.699 176.600 0.180 0.000 1.009 13 E CA -0.036 56.442 56.400 0.131 0.000 0.902 13 E CB 0.444 30.184 29.700 0.067 0.000 0.972 13 E HN 0.464 nan 8.360 nan 0.000 0.439 14 I N 5.770 126.372 120.570 0.053 0.000 2.382 14 I HA 0.339 4.509 4.170 0.001 0.000 0.286 14 I C -0.543 175.449 176.117 -0.208 0.000 1.002 14 I CA -0.535 60.705 61.300 -0.100 0.000 1.135 14 I CB 1.082 39.037 38.000 -0.076 0.000 1.288 14 I HN 0.478 nan 8.210 nan 0.000 0.448 15 K N 4.423 124.630 120.400 -0.321 0.000 2.597 15 K HA 0.452 4.773 4.320 0.001 0.000 0.282 15 K C -1.672 174.678 176.600 -0.416 0.000 0.975 15 K CA -1.071 55.022 56.287 -0.323 0.000 0.867 15 K CB 1.165 33.590 32.500 -0.125 0.000 1.465 15 K HN 0.169 nan 8.250 nan 0.000 0.417 16 Y N 1.427 121.630 120.300 -0.163 0.000 2.379 16 Y HA 0.327 4.877 4.550 0.001 0.000 0.337 16 Y C 0.814 176.678 175.900 -0.059 0.000 1.238 16 Y CA -0.313 57.722 58.100 -0.108 0.000 1.405 16 Y CB 0.679 39.092 38.460 -0.078 0.000 1.310 16 Y HN 0.493 nan 8.280 nan 0.000 0.569 17 I N -1.663 118.981 120.570 0.123 0.000 2.892 17 I HA 0.558 4.728 4.170 0.001 0.000 0.306 17 I C -1.232 174.916 176.117 0.052 0.000 1.078 17 I CA -1.382 59.950 61.300 0.053 0.000 1.032 17 I CB 1.989 39.997 38.000 0.013 0.000 1.229 17 I HN 0.278 nan 8.210 nan 0.000 0.435 18 D N 3.150 123.561 120.400 0.017 0.000 2.308 18 D HA 0.436 5.077 4.640 0.001 0.000 0.251 18 D C -0.610 175.664 176.300 -0.044 0.000 1.127 18 D CA 0.117 54.117 54.000 0.000 0.000 0.876 18 D CB 1.943 42.740 40.800 -0.005 0.000 1.176 18 D HN 0.341 nan 8.370 nan 0.000 0.446 19 V N 3.698 123.574 119.914 -0.063 0.000 2.357 19 V HA 0.081 4.202 4.120 0.001 0.000 0.281 19 V C 1.172 177.145 176.094 -0.200 0.000 1.015 19 V CA -0.554 61.620 62.300 -0.209 0.000 0.827 19 V CB 1.521 33.133 31.823 -0.353 0.000 1.018 19 V HN 0.381 nan 8.190 nan 0.000 0.432 20 V N 3.758 123.572 119.914 -0.168 0.000 2.535 20 V HA 0.056 4.177 4.120 0.001 0.000 0.246 20 V C 0.719 176.731 176.094 -0.137 0.000 1.045 20 V CA 1.642 63.893 62.300 -0.082 0.000 1.058 20 V CB -0.452 31.341 31.823 -0.049 0.000 0.689 20 V HN 1.084 nan 8.190 nan 0.000 0.461 21 N N -2.640 115.876 118.700 -0.307 0.000 2.710 21 N HA 0.147 4.887 4.740 0.001 0.000 0.257 21 N C 0.281 175.497 175.510 -0.490 0.000 1.327 21 N CA 0.084 52.911 53.050 -0.372 0.000 0.861 21 N CB 1.093 39.568 38.487 -0.020 0.000 1.532 21 N HN -0.049 nan 8.380 nan 0.000 0.499 22 T N -3.497 110.705 114.554 -0.587 0.000 3.055 22 T HA -0.044 4.306 4.350 0.001 0.000 0.265 22 T C 0.882 175.426 174.700 -0.261 0.000 1.111 22 T CA 0.828 62.654 62.100 -0.458 0.000 1.118 22 T CB -0.694 67.903 68.868 -0.450 0.000 0.909 22 T HN 0.503 nan 8.240 nan 0.000 0.501 23 Y N 2.323 122.574 120.300 -0.083 0.000 2.145 23 Y HA -0.053 4.498 4.550 0.001 0.000 0.286 23 Y C 2.438 178.305 175.900 -0.055 0.000 1.145 23 Y CA 1.271 59.359 58.100 -0.021 0.000 1.148 23 Y CB -0.466 37.986 38.460 -0.012 0.000 0.981 23 Y HN 0.198 nan 8.280 nan 0.000 0.507 24 D N -0.110 120.330 120.400 0.066 0.000 2.228 24 D HA -0.149 4.491 4.640 0.001 0.000 0.203 24 D C 1.911 178.164 176.300 -0.078 0.000 0.988 24 D CA 0.952 54.942 54.000 -0.018 0.000 0.864 24 D CB -0.244 40.529 40.800 -0.044 0.000 0.928 24 D HN 0.208 nan 8.370 nan 0.000 0.469 25 L N 0.846 122.017 121.223 -0.088 0.000 2.191 25 L HA -0.105 4.235 4.340 0.001 0.000 0.212 25 L C 2.228 178.902 176.870 -0.326 0.000 1.103 25 L CA 1.154 55.933 54.840 -0.101 0.000 0.769 25 L CB -0.860 41.221 42.059 0.035 0.000 0.908 25 L HN 0.110 nan 8.230 nan 0.000 0.438 26 E N -0.468 119.463 120.200 -0.448 0.000 2.047 26 E HA -0.233 4.118 4.350 0.001 0.000 0.191 26 E C 2.095 178.451 176.600 -0.406 0.000 0.987 26 E CA 1.010 56.895 56.400 -0.858 0.000 0.799 26 E CB -0.008 29.442 29.700 -0.418 0.000 0.752 26 E HN 0.384 nan 8.360 nan 0.000 0.449 27 E N 0.839 120.904 120.200 -0.225 0.000 2.106 27 E HA -0.214 4.136 4.350 0.001 0.000 0.192 27 E C 1.740 178.202 176.600 -0.231 0.000 0.984 27 E CA 1.165 57.450 56.400 -0.192 0.000 0.806 27 E CB 0.040 29.674 29.700 -0.110 0.000 0.750 27 E HN 0.402 nan 8.360 nan 0.000 0.458 28 E N 0.230 120.315 120.200 -0.192 0.000 2.077 28 E HA -0.143 4.207 4.350 0.001 0.000 0.193 28 E C 2.029 178.527 176.600 -0.170 0.000 0.989 28 E CA 1.078 57.387 56.400 -0.151 0.000 0.800 28 E CB -0.141 29.499 29.700 -0.099 0.000 0.746 28 E HN 0.293 nan 8.360 nan 0.000 0.452 29 A N 1.484 124.189 122.820 -0.192 0.000 2.015 29 A HA -0.153 4.167 4.320 0.001 0.000 0.219 29 A C 2.288 179.676 177.584 -0.326 0.000 1.163 29 A CA 1.500 53.480 52.037 -0.096 0.000 0.646 29 A CB -0.530 18.552 19.000 0.137 0.000 0.806 29 A HN 0.310 nan 8.150 nan 0.000 0.448 30 S N 0.173 115.413 115.700 -0.766 0.000 2.419 30 S HA -0.148 4.322 4.470 0.001 0.000 0.233 30 S C 1.567 175.800 174.600 -0.612 0.000 1.016 30 S CA 1.455 58.830 58.200 -1.375 0.000 0.974 30 S CB -0.344 62.111 63.200 -1.242 0.000 0.786 30 S HN 0.630 nan 8.310 nan 0.000 0.492 31 K N 0.825 121.015 120.400 -0.349 0.000 2.426 31 K HA 0.157 4.477 4.320 0.001 0.000 0.193 31 K C 1.480 178.004 176.600 -0.127 0.000 1.028 31 K CA 0.887 57.056 56.287 -0.197 0.000 1.047 31 K CB 0.311 32.724 32.500 -0.145 0.000 0.821 31 K HN 0.568 nan 8.250 nan 0.000 0.513 32 V N -3.735 116.113 119.914 -0.111 0.000 3.485 32 V HA 0.192 4.312 4.120 0.001 0.000 0.280 32 V C 0.435 176.525 176.094 -0.007 0.000 1.495 32 V CA -0.512 61.764 62.300 -0.040 0.000 1.018 32 V CB 0.576 32.399 31.823 0.001 0.000 0.818 32 V HN -0.222 nan 8.190 nan 0.000 0.436 33 V N 2.544 122.459 119.914 0.003 0.000 2.472 33 V HA 0.507 4.627 4.120 0.001 0.000 0.290 33 V C -2.277 173.846 176.094 0.048 0.000 1.037 33 V CA -1.863 60.496 62.300 0.099 0.000 0.908 33 V CB 1.217 33.225 31.823 0.308 0.000 0.985 33 V HN 0.273 nan 8.190 nan 0.000 0.454 34 P HA -0.016 nan 4.420 nan 0.000 0.265 34 P C 0.951 178.357 177.300 0.176 0.000 1.187 34 P CA 0.236 63.316 63.100 -0.033 0.000 0.766 34 P CB 0.321 31.811 31.700 -0.351 0.000 0.820 35 H N 2.848 121.977 119.070 0.099 0.000 2.321 35 H HA -0.183 4.373 4.556 0.001 0.000 0.295 35 H C 1.939 177.411 175.328 0.240 0.000 1.102 35 H CA 2.655 58.800 56.048 0.161 0.000 1.266 35 H CB -0.580 29.240 29.762 0.098 0.000 1.363 35 H HN 0.560 nan 8.280 nan 0.000 0.492 36 G N -0.565 108.444 108.800 0.348 0.000 2.421 36 G HA2 -0.232 3.728 3.960 0.001 0.000 0.216 36 G HA3 -0.232 3.728 3.960 0.001 0.000 0.216 36 G C 1.997 177.053 174.900 0.261 0.000 1.171 36 G CA 0.832 46.156 45.100 0.374 0.000 0.775 36 G HN 0.555 nan 8.290 nan 0.000 0.543 37 G N 0.311 109.374 108.800 0.437 0.000 2.418 37 G HA2 -0.182 3.778 3.960 0.001 0.000 0.217 37 G HA3 -0.182 3.778 3.960 0.001 0.000 0.217 37 G C 1.647 176.666 174.900 0.198 0.000 1.158 37 G CA 0.901 46.205 45.100 0.340 0.000 0.771 37 G HN 0.397 nan 8.290 nan 0.000 0.545 38 F N 1.805 121.823 119.950 0.113 0.000 2.134 38 F HA -0.056 4.471 4.527 0.001 0.000 0.299 38 F C 2.328 178.133 175.800 0.009 0.000 1.097 38 F CA 1.860 59.910 58.000 0.084 0.000 1.264 38 F CB -0.098 38.919 39.000 0.028 0.000 1.001 38 F HN 0.155 nan 8.300 nan 0.000 0.479 39 N N -1.342 117.264 118.700 -0.156 0.000 2.354 39 N HA -0.157 4.583 4.740 0.001 0.000 0.179 39 N C 1.570 176.902 175.510 -0.296 0.000 1.021 39 N CA 0.872 53.756 53.050 -0.276 0.000 0.887 39 N CB -0.443 37.921 38.487 -0.206 0.000 0.974 39 N HN 0.446 nan 8.380 nan 0.000 0.437 40 Y N 1.320 121.329 120.300 -0.485 0.000 2.165 40 Y HA -0.164 4.386 4.550 0.001 0.000 0.286 40 Y C 1.671 177.336 175.900 -0.391 0.000 1.155 40 Y CA 1.491 59.217 58.100 -0.623 0.000 1.164 40 Y CB -0.128 37.562 38.460 -1.283 0.000 0.978 40 Y HN 0.030 nan 8.280 nan 0.000 0.513 41 I N -0.201 120.175 120.570 -0.323 0.000 2.277 41 I HA -0.191 3.979 4.170 0.001 0.000 0.243 41 I C 2.614 178.517 176.117 -0.357 0.000 1.094 41 I CA 1.099 62.204 61.300 -0.326 0.000 1.393 41 I CB -0.627 37.288 38.000 -0.141 0.000 1.078 41 I HN 0.292 nan 8.210 nan 0.000 0.417 42 A N 0.662 123.228 122.820 -0.424 0.000 2.014 42 A HA 0.140 4.460 4.320 0.001 0.000 0.218 42 A C 1.565 179.035 177.584 -0.190 0.000 1.163 42 A CA 1.070 52.932 52.037 -0.293 0.000 0.652 42 A CB -1.054 17.570 19.000 -0.627 0.000 0.808 42 A HN 0.396 nan 8.150 nan 0.000 0.449 43 G N -1.875 106.785 108.800 -0.233 0.000 2.562 43 G HA2 0.580 4.541 3.960 0.001 0.000 0.275 43 G HA3 0.580 4.541 3.960 0.001 0.000 0.275 43 G C -0.220 174.611 174.900 -0.115 0.000 1.196 43 G CA 0.242 45.254 45.100 -0.147 0.000 0.908 43 G HN 0.971 nan 8.290 nan 0.000 0.524 44 A N -0.630 122.158 122.820 -0.052 0.000 2.533 44 A HA 0.809 5.130 4.320 0.001 0.000 0.293 44 A C 0.087 177.681 177.584 0.016 0.000 1.228 44 A CA -0.482 51.550 52.037 -0.008 0.000 0.689 44 A CB 0.681 19.704 19.000 0.037 0.000 1.303 44 A HN 0.869 nan 8.150 nan 0.000 0.444 45 S N -0.153 115.588 115.700 0.069 0.000 2.576 45 S HA 0.500 4.970 4.470 0.001 0.000 0.276 45 S C 1.091 175.683 174.600 -0.012 0.000 1.339 45 S CA 0.722 58.959 58.200 0.062 0.000 1.039 45 S CB 0.580 63.873 63.200 0.155 0.000 0.902 45 S HN 2.359 nan 8.310 nan 0.000 0.516 46 G N 2.974 111.627 108.800 -0.245 0.000 2.596 46 G HA2 -0.326 3.634 3.960 0.001 0.000 0.295 46 G HA3 -0.326 3.634 3.960 0.001 0.000 0.295 46 G C 0.158 174.900 174.900 -0.264 0.000 1.240 46 G CA 0.540 45.299 45.100 -0.569 0.000 0.985 46 G HN 0.870 nan 8.290 nan 0.000 0.555 47 D N 1.244 121.512 120.400 -0.220 0.000 2.324 47 D HA 0.180 4.821 4.640 0.001 0.000 0.235 47 D C 0.978 177.374 176.300 0.161 0.000 1.095 47 D CA 0.944 54.959 54.000 0.026 0.000 0.871 47 D CB -0.430 40.417 40.800 0.078 0.000 0.906 47 D HN 0.956 nan 8.370 nan 0.000 0.522 48 E N -2.402 117.925 120.200 0.212 0.000 3.286 48 E HA -0.277 4.073 4.350 0.001 0.000 0.292 48 E C 0.259 177.019 176.600 0.267 0.000 0.928 48 E CA 0.603 57.134 56.400 0.219 0.000 0.982 48 E CB -2.242 27.520 29.700 0.103 0.000 1.500 48 E HN 0.561 nan 8.360 nan 0.000 0.441 49 W N 1.278 122.731 121.300 0.256 0.000 2.338 49 W HA -0.201 4.459 4.660 0.000 0.000 0.304 49 W C 2.343 178.892 176.519 0.050 0.000 1.212 49 W CA 2.361 59.790 57.345 0.140 0.000 1.264 49 W CB -0.183 29.366 29.460 0.148 0.000 1.142 49 W HN 0.049 nan 8.180 nan 0.000 0.512 50 T N 0.117 114.839 114.554 0.279 0.000 2.951 50 T HA -0.180 4.170 4.350 0.001 0.000 0.268 50 T C 1.705 176.373 174.700 -0.054 0.000 1.073 50 T CA 1.503 63.631 62.100 0.047 0.000 1.134 50 T CB -0.260 68.688 68.868 0.133 0.000 0.884 50 T HN 0.164 nan 8.240 nan 0.000 0.479 51 K N 1.164 121.572 120.400 0.015 0.000 2.057 51 K HA -0.071 4.250 4.320 0.001 0.000 0.207 51 K C 2.479 179.033 176.600 -0.077 0.000 1.049 51 K CA 1.099 57.383 56.287 -0.006 0.000 0.931 51 K CB -0.039 32.481 32.500 0.035 0.000 0.714 51 K HN 0.136 nan 8.250 nan 0.000 0.440 52 R N 0.035 120.441 120.500 -0.157 0.000 2.092 52 R HA -0.080 4.260 4.340 0.001 0.000 0.231 52 R C 2.082 178.160 176.300 -0.370 0.000 1.119 52 R CA 1.242 57.195 56.100 -0.245 0.000 0.970 52 R CB -0.248 29.870 30.300 -0.303 0.000 0.864 52 R HN 0.261 nan 8.270 nan 0.000 0.440 53 A N 1.433 123.928 122.820 -0.542 0.000 1.902 53 A HA -0.209 4.112 4.320 0.001 0.000 0.217 53 A C 1.741 179.139 177.584 -0.310 0.000 1.181 53 A CA 1.725 53.435 52.037 -0.544 0.000 0.623 53 A CB -0.690 17.876 19.000 -0.724 0.000 0.818 53 A HN 0.418 nan 8.150 nan 0.000 0.443 54 N N 0.211 118.790 118.700 -0.202 0.000 2.091 54 N HA -0.201 4.539 4.740 0.001 0.000 0.193 54 N C 1.446 176.867 175.510 -0.148 0.000 1.021 54 N CA 1.913 54.884 53.050 -0.131 0.000 0.862 54 N CB -0.519 37.958 38.487 -0.017 0.000 1.018 54 N HN 0.677 nan 8.380 nan 0.000 0.429 55 D N 0.061 120.433 120.400 -0.047 0.000 2.137 55 D HA 0.044 4.684 4.640 0.001 0.000 0.202 55 D C 1.780 178.104 176.300 0.040 0.000 0.970 55 D CA 0.777 54.850 54.000 0.121 0.000 0.837 55 D CB 0.173 41.065 40.800 0.153 0.000 0.981 55 D HN 0.137 nan 8.370 nan 0.000 0.475 56 R N -0.106 120.301 120.500 -0.156 0.000 2.193 56 R HA 0.152 4.493 4.340 0.001 0.000 0.213 56 R C 2.201 178.326 176.300 -0.292 0.000 1.055 56 R CA 0.689 56.709 56.100 -0.133 0.000 0.995 56 R CB -0.091 30.062 30.300 -0.245 0.000 0.893 56 R HN 0.117 nan 8.270 nan 0.000 0.459 57 A N 0.647 123.156 122.820 -0.518 0.000 1.986 57 A HA -0.184 4.136 4.320 0.001 0.000 0.220 57 A C 1.462 178.769 177.584 -0.461 0.000 1.171 57 A CA 1.086 52.648 52.037 -0.791 0.000 0.640 57 A CB -0.837 17.878 19.000 -0.475 0.000 0.811 57 A HN 0.487 nan 8.150 nan 0.000 0.451 58 W N -0.459 120.719 121.300 -0.203 0.000 2.421 58 W HA -0.063 4.597 4.660 0.000 0.000 0.270 58 W C 1.766 178.288 176.519 0.005 0.000 1.233 58 W CA 0.976 58.179 57.345 -0.237 0.000 1.226 58 W CB 0.061 29.268 29.460 -0.422 0.000 1.121 58 W HN 0.081 nan 8.180 nan 0.000 0.579 59 K N -0.652 119.890 120.400 0.236 0.000 2.459 59 K HA 0.014 4.334 4.320 0.001 0.000 0.193 59 K C 1.158 177.999 176.600 0.402 0.000 1.030 59 K CA 0.771 57.235 56.287 0.294 0.000 1.026 59 K CB -0.609 32.077 32.500 0.309 0.000 0.809 59 K HN 0.394 nan 8.250 nan 0.000 0.504 60 H N -0.287 118.948 119.070 0.275 0.000 2.462 60 H HA 0.079 4.635 4.556 0.001 0.000 0.292 60 H C -0.108 175.363 175.328 0.237 0.000 1.049 60 H CA 0.517 56.700 56.048 0.225 0.000 1.334 60 H CB 0.495 30.349 29.762 0.153 0.000 1.404 60 H HN -0.207 nan 8.280 nan 0.000 0.544 61 K N 1.291 121.954 120.400 0.438 0.000 2.541 61 K HA 0.379 4.699 4.320 0.001 0.000 0.250 61 K C -1.195 175.601 176.600 0.326 0.000 0.950 61 K CA -0.243 56.264 56.287 0.366 0.000 0.805 61 K CB 2.767 35.530 32.500 0.439 0.000 1.166 61 K HN 0.043 nan 8.250 nan 0.000 0.430 62 L N 3.177 124.562 121.223 0.270 0.000 2.342 62 L HA 0.548 4.889 4.340 0.001 0.000 0.271 62 L C 0.016 176.914 176.870 0.047 0.000 1.008 62 L CA -1.206 53.726 54.840 0.154 0.000 0.818 62 L CB 1.412 43.535 42.059 0.106 0.000 1.296 62 L HN 0.313 nan 8.230 nan 0.000 0.427 63 L N 1.700 122.937 121.223 0.023 0.000 2.371 63 L HA 0.271 4.612 4.340 0.001 0.000 0.272 63 L C -0.907 175.940 176.870 -0.038 0.000 1.124 63 L CA -0.223 54.641 54.840 0.040 0.000 0.816 63 L CB 0.369 42.462 42.059 0.056 0.000 1.129 63 L HN 0.370 nan 8.230 nan 0.000 0.448 64 Y N 3.008 123.355 120.300 0.078 0.000 2.327 64 Y HA 0.287 4.837 4.550 0.001 0.000 0.336 64 Y C -1.712 174.204 175.900 0.026 0.000 1.035 64 Y CA -2.123 56.007 58.100 0.050 0.000 1.165 64 Y CB 0.567 39.072 38.460 0.075 0.000 1.181 64 Y HN 0.380 nan 8.280 nan 0.000 0.494 65 P HA 0.284 nan 4.420 nan 0.000 0.275 65 P C -0.714 176.647 177.300 0.102 0.000 1.228 65 P CA -0.418 62.739 63.100 0.094 0.000 0.786 65 P CB 1.176 32.905 31.700 0.049 0.000 0.927 66 R N 1.671 122.209 120.500 0.064 0.000 2.750 66 R HA 0.636 4.976 4.340 0.001 0.000 0.281 66 R C -0.234 176.081 176.300 0.025 0.000 0.972 66 R CA -0.946 55.180 56.100 0.042 0.000 0.912 66 R CB 1.607 31.927 30.300 0.034 0.000 1.187 66 R HN 0.512 nan 8.270 nan 0.000 0.464 67 L N 0.569 121.802 121.223 0.016 0.000 2.319 67 L HA 0.571 4.912 4.340 0.001 0.000 0.267 67 L C 0.583 177.456 176.870 0.006 0.000 1.011 67 L CA -1.241 53.605 54.840 0.010 0.000 0.818 67 L CB 1.624 43.689 42.059 0.010 0.000 1.316 67 L HN 0.832 nan 8.230 nan 0.000 0.432 68 A N 1.361 124.184 122.820 0.004 0.000 2.596 68 A HA -0.182 4.138 4.320 0.001 0.000 0.300 68 A C 1.114 178.699 177.584 0.002 0.000 1.495 68 A CA 0.676 52.714 52.037 0.002 0.000 0.769 68 A CB -1.221 17.780 19.000 0.001 0.000 1.047 68 A HN 0.782 nan 8.150 nan 0.000 0.436 69 Q N -0.280 119.523 119.800 0.004 0.000 2.360 69 Q HA 0.081 4.421 4.340 0.001 0.000 0.202 69 Q C 0.505 176.507 176.000 0.004 0.000 0.915 69 Q CA 0.821 56.627 55.803 0.004 0.000 0.943 69 Q CB 0.052 28.794 28.738 0.008 0.000 1.064 69 Q HN 0.893 nan 8.270 nan 0.000 0.511 70 D N -0.274 120.127 120.400 0.003 0.000 2.699 70 D HA -0.150 4.490 4.640 0.001 0.000 0.239 70 D C -1.361 174.940 176.300 0.002 0.000 1.136 70 D CA 0.266 54.267 54.000 0.002 0.000 0.668 70 D CB -0.907 39.894 40.800 0.001 0.000 1.060 70 D HN -0.035 nan 8.370 nan 0.000 0.429 71 V N 0.930 120.845 119.914 0.002 0.000 2.604 71 V HA 0.752 4.873 4.120 0.001 0.000 0.305 71 V C 0.107 176.202 176.094 0.000 0.000 1.043 71 V CA -0.494 61.808 62.300 0.002 0.000 0.888 71 V CB 2.125 33.951 31.823 0.005 0.000 0.995 71 V HN 0.283 nan 8.190 nan 0.000 0.429 72 E N 3.205 123.405 120.200 -0.001 0.000 2.381 72 E HA 0.583 4.933 4.350 0.001 0.000 0.286 72 E C -0.392 176.206 176.600 -0.003 0.000 0.960 72 E CA -0.141 56.258 56.400 -0.002 0.000 0.793 72 E CB 1.861 31.560 29.700 -0.003 0.000 1.225 72 E HN 1.491 nan 8.360 nan 0.000 0.420 73 A N 3.224 126.041 122.820 -0.005 0.000 2.362 73 A HA -0.121 4.199 4.320 0.001 0.000 0.290 73 A C -2.364 175.217 177.584 -0.006 0.000 1.441 73 A CA 0.363 52.396 52.037 -0.006 0.000 0.743 73 A CB -1.760 17.236 19.000 -0.006 0.000 1.125 73 A HN 0.387 nan 8.150 nan 0.000 0.378 74 P HA 0.201 nan 4.420 nan 0.000 0.265 74 P C -0.117 177.179 177.300 -0.006 0.000 1.187 74 P CA 0.224 63.322 63.100 -0.003 0.000 0.766 74 P CB 0.491 32.190 31.700 -0.001 0.000 0.820 75 D N 1.486 121.881 120.400 -0.007 0.000 2.359 75 D HA 0.090 4.731 4.640 0.001 0.000 0.230 75 D C 0.901 177.191 176.300 -0.016 0.000 1.118 75 D CA -0.181 53.810 54.000 -0.015 0.000 0.844 75 D CB 0.592 41.383 40.800 -0.015 0.000 1.059 75 D HN 0.283 nan 8.370 nan 0.000 0.493 76 T N -0.232 114.307 114.554 -0.025 0.000 3.100 76 T HA 0.034 4.384 4.350 0.001 0.000 0.253 76 T C 0.935 175.597 174.700 -0.063 0.000 1.118 76 T CA -0.198 61.883 62.100 -0.031 0.000 1.058 76 T CB -0.214 68.642 68.868 -0.019 0.000 0.953 76 T HN 0.283 nan 8.240 nan 0.000 0.515 77 S N 0.689 116.350 115.700 -0.065 0.000 2.576 77 S HA 0.532 5.002 4.470 0.001 0.000 0.276 77 S C 0.005 174.573 174.600 -0.053 0.000 1.339 77 S CA -0.556 57.596 58.200 -0.080 0.000 1.039 77 S CB 1.302 64.457 63.200 -0.076 0.000 0.902 77 S HN 0.417 nan 8.310 nan 0.000 0.516 78 T N 0.103 114.625 114.554 -0.054 0.000 2.647 78 T HA 0.561 4.911 4.350 0.001 0.000 0.295 78 T C -2.006 172.692 174.700 -0.004 0.000 1.126 78 T CA -0.700 61.387 62.100 -0.022 0.000 1.040 78 T CB 1.674 70.533 68.868 -0.015 0.000 1.472 78 T HN 0.873 nan 8.240 nan 0.000 0.500 79 E N 0.464 120.679 120.200 0.025 0.000 2.308 79 E HA 0.667 5.018 4.350 0.001 0.000 0.275 79 E C -1.795 174.862 176.600 0.094 0.000 0.890 79 E CA -0.690 55.743 56.400 0.055 0.000 0.754 79 E CB 1.913 31.638 29.700 0.041 0.000 1.207 79 E HN 0.568 nan 8.360 nan 0.000 0.426 80 I N 5.202 125.866 120.570 0.157 0.000 2.571 80 I HA 0.282 4.452 4.170 0.001 0.000 0.289 80 I C -0.567 175.744 176.117 0.324 0.000 1.115 80 I CA -0.567 60.878 61.300 0.242 0.000 1.045 80 I CB 1.135 39.316 38.000 0.302 0.000 1.238 80 I HN 0.856 nan 8.210 nan 0.000 0.424 81 L N 7.945 129.313 121.223 0.241 0.000 3.833 81 L HA -0.277 4.064 4.340 0.001 0.000 0.447 81 L C 1.108 177.990 176.870 0.020 0.000 1.213 81 L CA 0.985 55.925 54.840 0.166 0.000 0.801 81 L CB -1.931 40.279 42.059 0.250 0.000 1.676 81 L HN 1.181 nan 8.230 nan 0.000 0.883 82 G N -1.189 107.601 108.800 -0.017 0.000 2.148 82 G HA2 -0.295 3.665 3.960 0.001 0.000 0.254 82 G HA3 -0.295 3.665 3.960 0.001 0.000 0.254 82 G C 0.017 174.798 174.900 -0.199 0.000 0.981 82 G CA 0.539 45.568 45.100 -0.119 0.000 0.670 82 G HN 0.713 nan 8.290 nan 0.000 0.528 83 H N 0.351 119.491 119.070 0.117 0.000 2.476 83 H HA 0.510 5.066 4.556 0.001 0.000 0.328 83 H C 0.190 175.536 175.328 0.029 0.000 1.073 83 H CA -0.664 55.427 56.048 0.072 0.000 1.229 83 H CB 1.011 30.818 29.762 0.075 0.000 1.432 83 H HN 0.131 nan 8.280 nan 0.000 0.477 84 K N 4.875 125.349 120.400 0.122 0.000 2.285 84 K HA 0.268 4.588 4.320 0.001 0.000 0.286 84 K C -0.158 176.447 176.600 0.008 0.000 1.072 84 K CA -0.249 56.064 56.287 0.045 0.000 0.913 84 K CB 0.769 33.279 32.500 0.017 0.000 1.067 84 K HN 0.544 nan 8.250 nan 0.000 0.479 85 I N -0.450 120.101 120.570 -0.032 0.000 2.693 85 I HA 0.316 4.486 4.170 0.001 0.000 0.303 85 I C 0.751 176.780 176.117 -0.146 0.000 1.025 85 I CA -1.052 60.191 61.300 -0.095 0.000 1.086 85 I CB 2.018 39.951 38.000 -0.112 0.000 1.268 85 I HN 0.507 nan 8.210 nan 0.000 0.440 86 K N 3.525 123.789 120.400 -0.227 0.000 2.459 86 K HA 0.505 4.826 4.320 0.001 0.000 0.193 86 K C 0.178 176.624 176.600 -0.255 0.000 1.030 86 K CA 0.575 56.691 56.287 -0.286 0.000 1.026 86 K CB 0.252 32.468 32.500 -0.473 0.000 0.809 86 K HN 0.818 nan 8.250 nan 0.000 0.504 87 A N 1.296 123.933 122.820 -0.305 0.000 2.606 87 A HA 0.433 4.754 4.320 0.001 0.000 0.293 87 A C -2.755 174.538 177.584 -0.485 0.000 1.082 87 A CA -1.494 50.274 52.037 -0.448 0.000 0.685 87 A CB 1.331 19.833 19.000 -0.830 0.000 1.284 87 A HN 0.078 nan 8.150 nan 0.000 0.408 88 P HA 0.270 nan 4.420 nan 0.000 0.246 88 P C -0.928 176.354 177.300 -0.029 0.000 1.686 88 P CA 0.427 63.457 63.100 -0.117 0.000 0.867 88 P CB -1.273 30.425 31.700 -0.004 0.000 1.733 89 F N -0.113 119.798 119.950 -0.064 0.000 2.599 89 F HA 0.754 5.281 4.527 0.001 0.000 0.311 89 F C -0.263 175.433 175.800 -0.174 0.000 1.076 89 F CA -1.937 55.972 58.000 -0.151 0.000 0.937 89 F CB 1.294 40.149 39.000 -0.241 0.000 1.282 89 F HN -0.178 nan 8.300 nan 0.000 0.460 90 I N -0.033 120.552 120.570 0.025 0.000 3.206 90 I HA 0.698 4.868 4.170 0.001 0.000 0.313 90 I C -1.088 174.996 176.117 -0.055 0.000 1.103 90 I CA -1.477 59.767 61.300 -0.094 0.000 0.985 90 I CB 2.142 39.964 38.000 -0.297 0.000 1.240 90 I HN 0.759 nan 8.210 nan 0.000 0.464 91 M N 3.310 122.876 119.600 -0.056 0.000 2.146 91 M HA 0.610 5.091 4.480 0.001 0.000 0.357 91 M C -0.137 176.203 176.300 0.067 0.000 1.261 91 M CA 0.015 55.308 55.300 -0.013 0.000 1.106 91 M CB 0.875 33.481 32.600 0.011 0.000 1.612 91 M HN 0.790 nan 8.290 nan 0.000 0.470 92 A N 7.199 130.067 122.820 0.079 0.000 2.351 92 A HA 0.642 4.963 4.320 0.001 0.000 0.257 92 A C -2.404 175.215 177.584 0.058 0.000 1.087 92 A CA -1.263 50.874 52.037 0.166 0.000 0.798 92 A CB -0.686 18.376 19.000 0.103 0.000 1.033 92 A HN 0.686 nan 8.150 nan 0.000 0.488 93 P HA 0.321 nan 4.420 nan 0.000 0.276 93 P C -0.941 176.326 177.300 -0.056 0.000 1.264 93 P CA 0.645 63.692 63.100 -0.089 0.000 0.769 93 P CB 0.313 31.843 31.700 -0.283 0.000 0.840 94 I N 2.392 123.026 120.570 0.106 0.000 2.498 94 I HA 0.433 4.603 4.170 0.001 0.000 0.290 94 I C 0.519 176.827 176.117 0.319 0.000 1.032 94 I CA -1.192 60.198 61.300 0.150 0.000 1.073 94 I CB 2.266 40.279 38.000 0.022 0.000 1.251 94 I HN 0.292 nan 8.210 nan 0.000 0.426 95 A N 4.767 127.791 122.820 0.340 0.000 2.406 95 A HA 0.593 4.913 4.320 0.001 0.000 0.243 95 A C 0.913 178.797 177.584 0.499 0.000 1.082 95 A CA 0.410 52.697 52.037 0.416 0.000 0.786 95 A CB 0.189 19.496 19.000 0.511 0.000 1.029 95 A HN 1.634 nan 8.150 nan 0.000 0.495 96 A N 0.761 123.844 122.820 0.438 0.000 2.416 96 A HA -0.180 4.141 4.320 0.001 0.000 0.293 96 A C 0.661 178.582 177.584 0.562 0.000 1.452 96 A CA 1.253 53.612 52.037 0.536 0.000 0.738 96 A CB -2.689 16.654 19.000 0.572 0.000 1.123 96 A HN 1.078 nan 8.150 nan 0.000 0.389 97 H N -0.293 118.910 119.070 0.221 0.000 2.521 97 H HA -0.007 4.550 4.556 0.001 0.000 0.286 97 H C 2.253 177.716 175.328 0.226 0.000 1.034 97 H CA 0.590 56.757 56.048 0.198 0.000 1.278 97 H CB 0.227 30.067 29.762 0.130 0.000 1.386 97 H HN 0.765 nan 8.280 nan 0.000 0.567 98 G N 0.950 109.920 108.800 0.285 0.000 2.535 98 G HA2 -0.167 3.793 3.960 0.001 0.000 0.218 98 G HA3 -0.167 3.793 3.960 0.001 0.000 0.218 98 G C 1.638 176.844 174.900 0.510 0.000 1.122 98 G CA 0.105 45.332 45.100 0.211 0.000 0.769 98 G HN 0.276 nan 8.290 nan 0.000 0.549 99 L N 0.155 121.708 121.223 0.549 0.000 2.083 99 L HA -0.070 4.270 4.340 0.001 0.000 0.209 99 L C 3.225 180.416 176.870 0.535 0.000 1.083 99 L CA 1.188 56.288 54.840 0.434 0.000 0.752 99 L CB -0.267 41.971 42.059 0.299 0.000 0.899 99 L HN 0.320 nan 8.230 nan 0.000 0.433 100 A N -2.055 121.015 122.820 0.416 0.000 1.943 100 A HA -0.004 4.316 4.320 0.001 0.000 0.213 100 A C 0.543 178.361 177.584 0.390 0.000 1.181 100 A CA 0.620 52.880 52.037 0.371 0.000 0.653 100 A CB -0.073 19.093 19.000 0.276 0.000 0.833 100 A HN 0.493 nan 8.150 nan 0.000 0.451 101 H N -2.603 116.621 119.070 0.257 0.000 3.085 101 H HA 0.301 4.858 4.556 0.001 0.000 0.356 101 H C 1.110 176.546 175.328 0.180 0.000 1.178 101 H CA 0.204 56.370 56.048 0.197 0.000 1.214 101 H CB 1.199 31.058 29.762 0.162 0.000 1.881 101 H HN 0.081 nan 8.280 nan 0.000 0.538 102 T N -0.486 113.997 114.554 -0.119 0.000 2.803 102 T HA -0.228 4.123 4.350 0.001 0.000 0.269 102 T C 1.813 176.579 174.700 0.109 0.000 1.052 102 T CA 1.848 63.946 62.100 -0.003 0.000 1.136 102 T CB -0.659 68.162 68.868 -0.078 0.000 0.864 102 T HN 0.704 nan 8.240 nan 0.000 0.467 103 T N 0.122 114.868 114.554 0.320 0.000 3.072 103 T HA 0.082 4.432 4.350 0.001 0.000 0.266 103 T C 1.051 175.870 174.700 0.198 0.000 1.127 103 T CA 0.650 62.922 62.100 0.286 0.000 1.107 103 T CB -0.690 68.398 68.868 0.366 0.000 0.910 103 T HN 0.932 nan 8.240 nan 0.000 0.513 104 K N 0.603 121.139 120.400 0.226 0.000 2.086 104 K HA -0.360 3.961 4.320 0.001 0.000 0.169 104 K C 0.656 177.335 176.600 0.131 0.000 1.526 104 K CA 1.677 58.059 56.287 0.159 0.000 0.602 104 K CB -1.414 31.079 32.500 -0.012 0.000 0.605 104 K HN 0.200 nan 8.250 nan 0.000 0.921 105 E N 0.341 120.510 120.200 -0.051 0.000 2.265 105 E HA -0.063 4.287 4.350 0.001 0.000 0.196 105 E C 2.053 178.628 176.600 -0.041 0.000 0.996 105 E CA 1.668 57.939 56.400 -0.214 0.000 0.832 105 E CB -0.205 29.280 29.700 -0.359 0.000 0.756 105 E HN 0.518 nan 8.360 nan 0.000 0.491 106 A N 0.490 123.310 122.820 -0.000 0.000 1.930 106 A HA -0.017 4.303 4.320 0.001 0.000 0.217 106 A C 2.394 180.010 177.584 0.054 0.000 1.175 106 A CA 1.525 53.572 52.037 0.017 0.000 0.627 106 A CB -1.066 17.938 19.000 0.008 0.000 0.815 106 A HN 0.358 nan 8.150 nan 0.000 0.443 107 G N -0.691 108.179 108.800 0.117 0.000 2.433 107 G HA2 -0.182 3.779 3.960 0.001 0.000 0.216 107 G HA3 -0.182 3.779 3.960 0.001 0.000 0.216 107 G C 1.601 176.626 174.900 0.207 0.000 1.186 107 G CA 1.727 46.937 45.100 0.184 0.000 0.779 107 G HN 0.420 nan 8.290 nan 0.000 0.543 108 T N 1.919 116.596 114.554 0.204 0.000 2.652 108 T HA -0.057 4.293 4.350 0.001 0.000 0.267 108 T C 2.825 177.622 174.700 0.162 0.000 1.039 108 T CA 1.831 64.061 62.100 0.217 0.000 1.153 108 T CB -0.593 68.476 68.868 0.335 0.000 0.863 108 T HN 0.393 nan 8.240 nan 0.000 0.428 109 A N 1.615 124.497 122.820 0.102 0.000 1.917 109 A HA -0.222 4.098 4.320 0.001 0.000 0.219 109 A C 2.301 179.917 177.584 0.053 0.000 1.182 109 A CA 2.237 54.311 52.037 0.062 0.000 0.633 109 A CB -0.708 18.309 19.000 0.027 0.000 0.819 109 A HN 0.452 nan 8.150 nan 0.000 0.448 110 R N -0.587 119.927 120.500 0.024 0.000 2.073 110 R HA -0.111 4.229 4.340 0.001 0.000 0.234 110 R C 2.376 178.736 176.300 0.100 0.000 1.134 110 R CA 1.573 57.631 56.100 -0.071 0.000 0.952 110 R CB -0.462 29.626 30.300 -0.352 0.000 0.850 110 R HN 0.461 nan 8.270 nan 0.000 0.433 111 A N 0.065 123.082 122.820 0.329 0.000 1.883 111 A HA -0.139 4.181 4.320 0.001 0.000 0.217 111 A C 2.271 180.110 177.584 0.424 0.000 1.186 111 A CA 1.825 54.190 52.037 0.548 0.000 0.624 111 A CB -0.688 18.592 19.000 0.466 0.000 0.822 111 A HN 0.235 nan 8.150 nan 0.000 0.444 112 V N -0.465 119.601 119.914 0.253 0.000 2.237 112 V HA -0.226 3.895 4.120 0.001 0.000 0.245 112 V C 2.828 179.047 176.094 0.209 0.000 1.046 112 V CA 2.374 64.794 62.300 0.199 0.000 1.007 112 V CB -0.992 30.893 31.823 0.103 0.000 0.638 112 V HN 0.687 nan 8.190 nan 0.000 0.445 113 S N -0.497 115.280 115.700 0.129 0.000 2.365 113 S HA -0.279 4.191 4.470 0.001 0.000 0.225 113 S C 1.965 176.635 174.600 0.115 0.000 1.039 113 S CA 2.126 60.372 58.200 0.078 0.000 1.033 113 S CB -0.364 62.848 63.200 0.021 0.000 0.887 113 S HN 0.703 nan 8.310 nan 0.000 0.447 114 E N -0.727 119.582 120.200 0.181 0.000 2.208 114 E HA -0.085 4.265 4.350 0.001 0.000 0.193 114 E C 1.736 178.580 176.600 0.406 0.000 0.988 114 E CA 0.937 57.480 56.400 0.238 0.000 0.828 114 E CB -0.232 29.607 29.700 0.232 0.000 0.763 114 E HN 0.739 nan 8.360 nan 0.000 0.478 115 F N 0.842 120.996 119.950 0.339 0.000 2.206 115 F HA 0.070 4.598 4.527 0.001 0.000 0.298 115 F C 1.192 177.044 175.800 0.087 0.000 1.090 115 F CA 1.642 59.778 58.000 0.226 0.000 1.323 115 F CB 0.386 39.398 39.000 0.021 0.000 1.028 115 F HN 0.031 nan 8.300 nan 0.000 0.492 116 G N 1.178 110.013 108.800 0.059 0.000 2.455 116 G HA2 -0.014 3.946 3.960 0.001 0.000 0.169 116 G HA3 -0.014 3.946 3.960 0.001 0.000 0.169 116 G C -0.031 174.849 174.900 -0.033 0.000 1.074 116 G CA 0.151 45.194 45.100 -0.094 0.000 0.796 116 G HN 0.676 nan 8.290 nan 0.000 0.489 117 T N -1.130 113.480 114.554 0.092 0.000 2.590 117 T HA 0.755 5.106 4.350 0.001 0.000 0.282 117 T C -0.282 174.339 174.700 -0.132 0.000 0.989 117 T CA -0.504 61.584 62.100 -0.020 0.000 1.091 117 T CB 1.060 69.944 68.868 0.027 0.000 1.460 117 T HN 0.596 nan 8.240 nan 0.000 0.499 118 I N 2.253 122.658 120.570 -0.276 0.000 2.353 118 I HA 0.432 4.602 4.170 0.001 0.000 0.293 118 I C -0.110 175.823 176.117 -0.307 0.000 0.992 118 I CA -0.677 60.348 61.300 -0.458 0.000 1.268 118 I CB 1.520 38.949 38.000 -0.952 0.000 1.387 118 I HN 0.518 nan 8.210 nan 0.000 0.478 119 M N 5.703 125.176 119.600 -0.211 0.000 2.146 119 M HA 0.252 4.732 4.480 0.001 0.000 0.357 119 M C -0.518 175.767 176.300 -0.025 0.000 1.261 119 M CA 0.350 55.608 55.300 -0.071 0.000 1.106 119 M CB 0.683 33.282 32.600 -0.003 0.000 1.612 119 M HN 0.472 nan 8.290 nan 0.000 0.470 120 S N 6.519 122.248 115.700 0.049 0.000 2.429 120 S HA 0.588 5.058 4.470 0.001 0.000 0.302 120 S C -0.296 174.362 174.600 0.097 0.000 1.115 120 S CA -0.670 57.612 58.200 0.137 0.000 1.095 120 S CB 0.154 63.461 63.200 0.179 0.000 0.987 120 S HN 0.670 nan 8.310 nan 0.000 0.474 121 I N 2.545 123.197 120.570 0.137 0.000 2.315 121 I HA 0.248 4.418 4.170 0.001 0.000 0.291 121 I C 0.652 176.749 176.117 -0.032 0.000 1.006 121 I CA -0.386 60.996 61.300 0.136 0.000 1.265 121 I CB 1.428 39.660 38.000 0.387 0.000 1.387 121 I HN 0.506 nan 8.210 nan 0.000 0.475 122 S N 4.540 120.205 115.700 -0.059 0.000 2.548 122 S HA 0.292 4.763 4.470 0.001 0.000 0.277 122 S C 1.335 175.865 174.600 -0.116 0.000 1.315 122 S CA -0.132 57.973 58.200 -0.158 0.000 1.050 122 S CB 1.323 64.520 63.200 -0.004 0.000 0.918 122 S HN 0.744 nan 8.310 nan 0.000 0.497 123 A N 4.658 127.306 122.820 -0.287 0.000 2.084 123 A HA -0.045 4.276 4.320 0.001 0.000 0.221 123 A C 1.109 178.864 177.584 0.286 0.000 1.161 123 A CA 1.160 53.210 52.037 0.022 0.000 0.653 123 A CB -0.656 18.319 19.000 -0.042 0.000 0.802 123 A HN 0.961 nan 8.150 nan 0.000 0.457 124 Y N 0.174 120.537 120.300 0.105 0.000 2.683 124 Y HA 0.207 4.757 4.550 0.001 0.000 0.297 124 Y C 1.193 177.102 175.900 0.016 0.000 1.147 124 Y CA -0.311 57.815 58.100 0.042 0.000 1.274 124 Y CB 0.143 38.629 38.460 0.042 0.000 1.143 124 Y HN 0.324 nan 8.280 nan 0.000 0.527 125 S N 0.256 116.036 115.700 0.133 0.000 2.572 125 S HA 0.142 4.613 4.470 0.001 0.000 0.279 125 S C 1.355 175.954 174.600 -0.002 0.000 1.341 125 S CA 0.076 58.298 58.200 0.037 0.000 1.043 125 S CB 1.407 64.570 63.200 -0.061 0.000 0.887 125 S HN 0.554 nan 8.310 nan 0.000 0.516 126 G N 1.900 110.678 108.800 -0.037 0.000 3.042 126 G HA2 0.480 4.440 3.960 0.001 0.000 0.212 126 G HA3 0.480 4.440 3.960 0.001 0.000 0.212 126 G C 0.307 175.068 174.900 -0.230 0.000 1.166 126 G CA 0.265 45.268 45.100 -0.161 0.000 0.767 126 G HN 1.077 nan 8.290 nan 0.000 0.546 127 A N 0.529 123.240 122.820 -0.182 0.000 2.312 127 A HA 0.705 5.026 4.320 0.001 0.000 0.328 127 A C 0.657 178.150 177.584 -0.152 0.000 1.158 127 A CA -0.126 51.818 52.037 -0.155 0.000 0.821 127 A CB 0.637 19.557 19.000 -0.132 0.000 1.170 127 A HN 0.338 nan 8.150 nan 0.000 0.490 128 T N -1.056 113.426 114.554 -0.119 0.000 2.766 128 T HA 0.340 4.690 4.350 0.001 0.000 0.295 128 T C 0.741 175.385 174.700 -0.093 0.000 1.024 128 T CA -0.025 61.998 62.100 -0.128 0.000 1.018 128 T CB 0.006 68.847 68.868 -0.045 0.000 1.002 128 T HN 0.321 nan 8.240 nan 0.000 0.532 129 F N 1.669 121.612 119.950 -0.012 0.000 2.120 129 F HA -0.084 4.444 4.527 0.001 0.000 0.300 129 F C 2.742 178.531 175.800 -0.017 0.000 1.095 129 F CA 1.787 59.776 58.000 -0.017 0.000 1.249 129 F CB -0.602 38.372 39.000 -0.045 0.000 0.995 129 F HN 0.765 nan 8.300 nan 0.000 0.480 130 E N 0.576 120.875 120.200 0.164 0.000 2.106 130 E HA -0.214 4.137 4.350 0.001 0.000 0.192 130 E C 1.770 178.399 176.600 0.048 0.000 0.984 130 E CA 1.486 57.937 56.400 0.086 0.000 0.806 130 E CB -0.883 28.852 29.700 0.058 0.000 0.750 130 E HN 0.508 nan 8.360 nan 0.000 0.458 131 E N 0.792 121.009 120.200 0.028 0.000 2.077 131 E HA -0.084 4.266 4.350 0.001 0.000 0.193 131 E C 2.329 178.934 176.600 0.008 0.000 0.989 131 E CA 1.138 57.541 56.400 0.004 0.000 0.800 131 E CB -0.142 29.546 29.700 -0.021 0.000 0.746 131 E HN 0.313 nan 8.360 nan 0.000 0.452 132 I N 0.532 121.117 120.570 0.024 0.000 2.286 132 I HA -0.218 3.952 4.170 0.001 0.000 0.245 132 I C 2.425 178.567 176.117 0.042 0.000 1.104 132 I CA 0.573 61.891 61.300 0.030 0.000 1.397 132 I CB -0.174 37.857 38.000 0.052 0.000 1.072 132 I HN -0.026 nan 8.210 nan 0.000 0.417 133 S N 0.209 115.949 115.700 0.066 0.000 2.392 133 S HA -0.294 4.176 4.470 0.001 0.000 0.232 133 S C 1.955 176.562 174.600 0.013 0.000 1.041 133 S CA 1.836 60.062 58.200 0.044 0.000 1.026 133 S CB -0.308 62.920 63.200 0.047 0.000 0.845 133 S HN 0.457 nan 8.310 nan 0.000 0.465 134 E N 0.255 120.458 120.200 0.005 0.000 2.106 134 E HA -0.075 4.275 4.350 0.001 0.000 0.192 134 E C 2.144 178.721 176.600 -0.038 0.000 0.984 134 E CA 1.074 57.465 56.400 -0.015 0.000 0.806 134 E CB -0.448 29.244 29.700 -0.013 0.000 0.750 134 E HN 0.500 nan 8.360 nan 0.000 0.458 135 G N 0.562 109.341 108.800 -0.035 0.000 2.422 135 G HA2 -0.189 3.771 3.960 0.001 0.000 0.218 135 G HA3 -0.189 3.771 3.960 0.001 0.000 0.218 135 G C 1.497 176.360 174.900 -0.061 0.000 1.140 135 G CA 0.449 45.511 45.100 -0.063 0.000 0.775 135 G HN 0.193 nan 8.290 nan 0.000 0.545 136 L N -0.379 120.828 121.223 -0.025 0.000 2.109 136 L HA 0.063 4.404 4.340 0.001 0.000 0.207 136 L C 1.364 178.218 176.870 -0.027 0.000 1.086 136 L CA 0.510 55.341 54.840 -0.015 0.000 0.760 136 L CB -0.443 41.620 42.059 0.007 0.000 0.910 136 L HN 0.371 nan 8.230 nan 0.000 0.437 137 N N 0.209 118.891 118.700 -0.030 0.000 2.714 137 N HA -0.238 4.502 4.740 0.001 0.000 0.253 137 N C 0.870 176.369 175.510 -0.018 0.000 1.024 137 N CA 0.206 53.237 53.050 -0.031 0.000 0.726 137 N CB -0.651 37.804 38.487 -0.053 0.000 0.908 137 N HN 0.644 nan 8.380 nan 0.000 0.542 138 G N -1.366 107.430 108.800 -0.007 0.000 2.205 138 G HA2 -0.257 3.704 3.960 0.001 0.000 0.261 138 G HA3 -0.257 3.704 3.960 0.001 0.000 0.261 138 G C 0.548 175.450 174.900 0.004 0.000 0.980 138 G CA 0.612 45.713 45.100 0.002 0.000 0.632 138 G HN 0.885 nan 8.290 nan 0.000 0.533 139 G N 0.806 109.603 108.800 -0.006 0.000 2.614 139 G HA2 0.500 4.460 3.960 0.001 0.000 0.239 139 G HA3 0.500 4.460 3.960 0.001 0.000 0.239 139 G C -1.461 173.418 174.900 -0.036 0.000 1.240 139 G CA 0.002 45.091 45.100 -0.018 0.000 0.842 139 G HN 0.336 nan 8.290 nan 0.000 0.584 140 P HA 0.251 nan 4.420 nan 0.000 0.271 140 P C -0.499 176.684 177.300 -0.195 0.000 1.218 140 P CA -0.139 62.843 63.100 -0.197 0.000 0.780 140 P CB 0.919 32.306 31.700 -0.521 0.000 0.901 141 R N 1.606 122.053 120.500 -0.088 0.000 2.626 141 R HA 0.512 4.852 4.340 0.001 0.000 0.274 141 R C -1.804 174.678 176.300 0.303 0.000 1.031 141 R CA -0.502 55.616 56.100 0.030 0.000 0.898 141 R CB 0.733 31.098 30.300 0.109 0.000 1.222 141 R HN 0.322 nan 8.270 nan 0.000 0.455 142 W N 2.145 123.515 121.300 0.116 0.000 2.706 142 W HA 0.575 5.235 4.660 0.001 0.000 0.346 142 W C -0.813 175.843 176.519 0.228 0.000 1.071 142 W CA -1.609 55.841 57.345 0.175 0.000 1.206 142 W CB 1.298 30.856 29.460 0.163 0.000 1.413 142 W HN 0.538 nan 8.180 nan 0.000 0.542 143 F N 2.919 123.048 119.950 0.299 0.000 2.507 143 F HA 0.348 4.875 4.527 0.001 0.000 0.325 143 F C -0.030 175.830 175.800 0.100 0.000 1.116 143 F CA -0.687 57.434 58.000 0.201 0.000 0.930 143 F CB 1.482 40.604 39.000 0.204 0.000 1.146 143 F HN 0.130 nan 8.300 nan 0.000 0.447 144 Q N 7.986 127.226 119.800 -0.934 0.000 2.347 144 Q HA 0.347 4.687 4.340 0.001 0.000 0.262 144 Q C -1.484 173.807 176.000 -1.182 0.000 0.980 144 Q CA -0.540 54.759 55.803 -0.840 0.000 0.867 144 Q CB 1.654 29.999 28.738 -0.655 0.000 1.242 144 Q HN 0.942 nan 8.270 nan 0.000 0.453 145 I N 4.443 124.590 120.570 -0.706 0.000 2.359 145 I HA 0.254 4.424 4.170 0.001 0.000 0.294 145 I C -1.347 174.548 176.117 -0.370 0.000 0.987 145 I CA -0.826 60.245 61.300 -0.382 0.000 1.225 145 I CB 0.699 38.711 38.000 0.020 0.000 1.366 145 I HN 0.571 nan 8.210 nan 0.000 0.466 146 Y N 7.693 127.898 120.300 -0.158 0.000 2.404 146 Y HA 0.357 4.907 4.550 0.001 0.000 0.344 146 Y C 0.338 176.264 175.900 0.042 0.000 0.970 146 Y CA -0.606 57.441 58.100 -0.088 0.000 1.180 146 Y CB 1.047 39.383 38.460 -0.208 0.000 1.138 146 Y HN 0.448 nan 8.280 nan 0.000 0.510 147 M N 3.294 123.011 119.600 0.195 0.000 2.248 147 M HA 0.254 4.735 4.480 0.001 0.000 0.345 147 M C 0.572 176.964 176.300 0.154 0.000 1.243 147 M CA 0.029 55.415 55.300 0.143 0.000 1.090 147 M CB 0.478 33.136 32.600 0.096 0.000 1.683 147 M HN 0.750 nan 8.290 nan 0.000 0.450 148 A N 3.619 126.517 122.820 0.129 0.000 2.313 148 A HA 0.242 4.562 4.320 0.001 0.000 0.261 148 A C 0.848 178.477 177.584 0.076 0.000 1.090 148 A CA -0.434 51.667 52.037 0.107 0.000 0.807 148 A CB 0.495 19.549 19.000 0.091 0.000 1.055 148 A HN 0.960 nan 8.150 nan 0.000 0.492 149 K N -0.048 120.390 120.400 0.063 0.000 2.097 149 K HA -0.115 4.206 4.320 0.001 0.000 0.205 149 K C 0.008 176.628 176.600 0.033 0.000 1.050 149 K CA 1.395 57.709 56.287 0.045 0.000 0.938 149 K CB -0.151 32.372 32.500 0.039 0.000 0.718 149 K HN 0.837 nan 8.250 nan 0.000 0.442 150 D N 0.918 121.337 120.400 0.032 0.000 2.343 150 D HA -0.006 4.635 4.640 0.001 0.000 0.255 150 D C -0.071 176.236 176.300 0.012 0.000 1.187 150 D CA -0.111 53.901 54.000 0.020 0.000 0.875 150 D CB 1.195 42.006 40.800 0.019 0.000 1.136 150 D HN -0.035 nan 8.370 nan 0.000 0.469 151 D N 2.007 122.408 120.400 0.001 0.000 2.149 151 D HA -0.191 4.449 4.640 0.001 0.000 0.198 151 D C 1.443 177.719 176.300 -0.041 0.000 0.990 151 D CA 0.983 54.973 54.000 -0.017 0.000 0.839 151 D CB 0.087 40.877 40.800 -0.017 0.000 0.948 151 D HN 0.389 nan 8.370 nan 0.000 0.460 152 Q N 0.628 120.411 119.800 -0.027 0.000 2.119 152 Q HA -0.096 4.244 4.340 0.001 0.000 0.201 152 Q C 1.821 177.805 176.000 -0.028 0.000 0.972 152 Q CA 1.452 57.234 55.803 -0.034 0.000 0.847 152 Q CB -0.169 28.561 28.738 -0.012 0.000 0.903 152 Q HN 0.357 nan 8.270 nan 0.000 0.433 153 Q N -0.499 119.300 119.800 -0.003 0.000 2.224 153 Q HA -0.087 4.253 4.340 0.001 0.000 0.203 153 Q C 1.664 177.680 176.000 0.027 0.000 0.970 153 Q CA 1.320 57.134 55.803 0.019 0.000 0.865 153 Q CB -0.027 28.732 28.738 0.035 0.000 0.922 153 Q HN 0.564 nan 8.270 nan 0.000 0.445 154 N N 0.108 118.814 118.700 0.010 0.000 2.135 154 N HA -0.093 4.647 4.740 0.001 0.000 0.186 154 N C 1.616 177.098 175.510 -0.047 0.000 1.027 154 N CA 0.558 53.618 53.050 0.017 0.000 0.849 154 N CB 0.034 38.528 38.487 0.011 0.000 1.002 154 N HN 0.086 nan 8.380 nan 0.000 0.425 155 R N 0.870 121.268 120.500 -0.170 0.000 2.113 155 R HA -0.165 4.176 4.340 0.001 0.000 0.244 155 R C 1.249 177.497 176.300 -0.086 0.000 1.142 155 R CA 1.618 57.505 56.100 -0.355 0.000 0.953 155 R CB -0.328 29.711 30.300 -0.434 0.000 0.860 155 R HN 0.306 nan 8.270 nan 0.000 0.438 156 D N 0.390 120.775 120.400 -0.024 0.000 2.092 156 D HA -0.138 4.502 4.640 0.001 0.000 0.193 156 D C 1.910 178.234 176.300 0.040 0.000 0.994 156 D CA 1.191 55.205 54.000 0.024 0.000 0.828 156 D CB -0.252 40.565 40.800 0.029 0.000 0.963 156 D HN 0.191 nan 8.370 nan 0.000 0.450 157 I N 0.372 120.978 120.570 0.060 0.000 2.208 157 I HA -0.244 3.926 4.170 0.001 0.000 0.245 157 I C 2.340 178.469 176.117 0.020 0.000 1.097 157 I CA 0.794 62.148 61.300 0.089 0.000 1.363 157 I CB -0.169 37.944 38.000 0.188 0.000 1.051 157 I HN -0.010 nan 8.210 nan 0.000 0.413 158 L N -0.005 121.258 121.223 0.067 0.000 2.141 158 L HA -0.193 4.147 4.340 0.001 0.000 0.209 158 L C 2.080 178.971 176.870 0.036 0.000 1.094 158 L CA 0.983 55.873 54.840 0.084 0.000 0.763 158 L CB -0.653 41.511 42.059 0.174 0.000 0.908 158 L HN 0.260 nan 8.230 nan 0.000 0.437 159 D N 0.011 120.451 120.400 0.065 0.000 2.077 159 D HA -0.220 4.421 4.640 0.001 0.000 0.196 159 D C 2.006 178.252 176.300 -0.090 0.000 0.986 159 D CA 1.286 55.301 54.000 0.026 0.000 0.829 159 D CB -0.080 40.764 40.800 0.073 0.000 0.983 159 D HN 0.249 nan 8.370 nan 0.000 0.453 160 E N 1.006 121.147 120.200 -0.099 0.000 2.118 160 E HA -0.168 4.182 4.350 0.001 0.000 0.195 160 E C 1.840 178.102 176.600 -0.563 0.000 0.992 160 E CA 1.537 57.827 56.400 -0.184 0.000 0.804 160 E CB -0.211 29.489 29.700 0.001 0.000 0.741 160 E HN 0.184 nan 8.360 nan 0.000 0.458 161 A N 0.995 123.420 122.820 -0.659 0.000 1.858 161 A HA -0.239 4.082 4.320 0.001 0.000 0.216 161 A C 2.211 179.477 177.584 -0.529 0.000 1.190 161 A CA 1.958 53.415 52.037 -0.967 0.000 0.617 161 A CB -0.702 17.801 19.000 -0.828 0.000 0.827 161 A HN 0.291 nan 8.150 nan 0.000 0.443 162 K N -0.057 120.181 120.400 -0.269 0.000 2.032 162 K HA -0.178 4.143 4.320 0.001 0.000 0.209 162 K C 2.357 178.866 176.600 -0.152 0.000 1.048 162 K CA 1.865 58.069 56.287 -0.138 0.000 0.927 162 K CB -0.258 32.199 32.500 -0.073 0.000 0.712 162 K HN 0.518 nan 8.250 nan 0.000 0.441 163 S N 0.457 116.049 115.700 -0.181 0.000 2.419 163 S HA -0.201 4.269 4.470 0.001 0.000 0.233 163 S C 1.663 176.154 174.600 -0.181 0.000 1.016 163 S CA 1.958 60.068 58.200 -0.150 0.000 0.974 163 S CB -0.363 62.761 63.200 -0.126 0.000 0.786 163 S HN 0.495 nan 8.310 nan 0.000 0.492 164 D N 0.229 120.437 120.400 -0.320 0.000 2.269 164 D HA 0.121 4.762 4.640 0.001 0.000 0.208 164 D C 1.288 177.493 176.300 -0.160 0.000 0.963 164 D CA 1.360 55.176 54.000 -0.307 0.000 0.864 164 D CB -0.341 40.071 40.800 -0.647 0.000 0.936 164 D HN 0.632 nan 8.370 nan 0.000 0.505 165 G N -1.171 107.553 108.800 -0.127 0.000 2.155 165 G HA2 0.001 3.962 3.960 0.001 0.000 0.130 165 G HA3 0.001 3.962 3.960 0.001 0.000 0.130 165 G C 0.222 175.149 174.900 0.044 0.000 1.027 165 G CA -0.050 45.035 45.100 -0.024 0.000 0.705 165 G HN 0.557 nan 8.290 nan 0.000 0.496 166 A N 0.794 123.629 122.820 0.025 0.000 2.492 166 A HA 0.611 4.932 4.320 0.001 0.000 0.254 166 A C 1.503 179.203 177.584 0.192 0.000 1.091 166 A CA 1.391 53.524 52.037 0.160 0.000 0.768 166 A CB 0.225 19.323 19.000 0.164 0.000 1.028 166 A HN 1.304 nan 8.150 nan 0.000 0.498 167 T N -0.572 114.186 114.554 0.340 0.000 3.086 167 T HA 0.544 4.894 4.350 0.001 0.000 0.250 167 T C 0.452 175.267 174.700 0.190 0.000 1.074 167 T CA 0.559 62.857 62.100 0.330 0.000 0.988 167 T CB -0.068 69.138 68.868 0.562 0.000 0.988 167 T HN 1.537 nan 8.240 nan 0.000 0.530 168 A N 0.957 123.820 122.820 0.073 0.000 2.606 168 A HA 0.715 5.036 4.320 0.001 0.000 0.293 168 A C -1.601 175.984 177.584 0.002 0.000 1.082 168 A CA -0.943 50.971 52.037 -0.206 0.000 0.685 168 A CB 1.218 19.669 19.000 -0.915 0.000 1.284 168 A HN 0.228 nan 8.150 nan 0.000 0.408 169 I N 1.364 121.947 120.570 0.023 0.000 2.433 169 I HA 0.409 4.580 4.170 0.001 0.000 0.292 169 I C -0.779 175.390 176.117 0.087 0.000 1.001 169 I CA -0.325 61.039 61.300 0.106 0.000 1.119 169 I CB 1.346 39.416 38.000 0.117 0.000 1.289 169 I HN 0.509 nan 8.210 nan 0.000 0.438 170 I N 6.505 127.087 120.570 0.020 0.000 2.328 170 I HA 0.219 4.389 4.170 0.001 0.000 0.287 170 I C -0.300 175.711 176.117 -0.178 0.000 1.012 170 I CA -0.725 60.541 61.300 -0.056 0.000 1.195 170 I CB 1.554 39.413 38.000 -0.236 0.000 1.350 170 I HN 0.299 nan 8.210 nan 0.000 0.464 171 L N 7.149 128.312 121.223 -0.100 0.000 2.268 171 L HA 0.376 4.717 4.340 0.001 0.000 0.289 171 L C 0.068 176.828 176.870 -0.183 0.000 1.064 171 L CA 0.488 55.250 54.840 -0.130 0.000 0.824 171 L CB 0.767 42.801 42.059 -0.042 0.000 1.202 171 L HN 0.482 nan 8.230 nan 0.000 0.433 172 T N 5.556 119.927 114.554 -0.304 0.000 2.739 172 T HA 0.443 4.793 4.350 0.001 0.000 0.298 172 T C 0.898 175.565 174.700 -0.056 0.000 0.929 172 T CA 0.279 62.225 62.100 -0.256 0.000 1.014 172 T CB 0.953 69.557 68.868 -0.440 0.000 0.914 172 T HN 0.748 nan 8.240 nan 0.000 0.509 173 A N 2.746 125.554 122.820 -0.021 0.000 2.470 173 A HA 0.211 4.532 4.320 0.001 0.000 0.251 173 A C 1.422 179.009 177.584 0.006 0.000 1.245 173 A CA -0.415 51.628 52.037 0.010 0.000 0.932 173 A CB 0.112 19.114 19.000 0.004 0.000 1.037 173 A HN 0.733 nan 8.150 nan 0.000 0.522 174 D N -1.169 119.242 120.400 0.019 0.000 2.342 174 D HA 0.139 4.779 4.640 0.001 0.000 0.221 174 D C 0.275 176.507 176.300 -0.113 0.000 1.101 174 D CA 0.408 54.403 54.000 -0.009 0.000 0.837 174 D CB -0.053 40.773 40.800 0.043 0.000 0.938 174 D HN 0.031 nan 8.370 nan 0.000 0.508 175 S N -0.566 115.027 115.700 -0.179 0.000 2.902 175 S HA 0.048 4.519 4.470 0.001 0.000 0.250 175 S C 1.421 175.674 174.600 -0.579 0.000 1.046 175 S CA -0.047 57.829 58.200 -0.541 0.000 1.069 175 S CB 0.563 63.350 63.200 -0.688 0.000 0.967 175 S HN 0.439 nan 8.310 nan 0.000 0.530 176 T N 0.073 114.468 114.554 -0.265 0.000 2.881 176 T HA -0.012 4.338 4.350 0.001 0.000 0.270 176 T C 0.852 175.454 174.700 -0.162 0.000 1.068 176 T CA 1.214 63.222 62.100 -0.153 0.000 1.131 176 T CB -0.478 68.348 68.868 -0.070 0.000 0.871 176 T HN 0.392 nan 8.240 nan 0.000 0.479 177 V N -2.657 117.127 119.914 -0.218 0.000 3.130 177 V HA 0.774 4.894 4.120 0.001 0.000 0.310 177 V C -0.071 175.880 176.094 -0.238 0.000 1.158 177 V CA -1.345 60.868 62.300 -0.145 0.000 1.029 177 V CB 1.573 33.369 31.823 -0.045 0.000 1.057 177 V HN 0.159 nan 8.190 nan 0.000 0.436 178 S N 0.884 116.573 115.700 -0.019 0.000 2.585 178 S HA 0.560 5.030 4.470 0.001 0.000 0.273 178 S C 0.681 175.280 174.600 -0.001 0.000 1.339 178 S CA 0.351 58.598 58.200 0.078 0.000 1.028 178 S CB 0.458 63.826 63.200 0.279 0.000 0.906 178 S HN 1.842 nan 8.310 nan 0.000 0.528 179 G N 2.461 111.253 108.800 -0.012 0.000 2.667 179 G HA2 0.137 4.097 3.960 0.001 0.000 0.250 179 G HA3 0.137 4.097 3.960 0.001 0.000 0.250 179 G C 0.040 174.954 174.900 0.023 0.000 1.212 179 G CA -0.719 44.382 45.100 0.000 0.000 0.874 179 G HN 0.891 nan 8.290 nan 0.000 0.561 180 N N 0.480 119.190 118.700 0.017 0.000 2.968 180 N HA 0.041 4.782 4.740 0.001 0.000 0.271 180 N C -0.278 175.219 175.510 -0.022 0.000 1.174 180 N CA -0.175 52.870 53.050 -0.007 0.000 1.096 180 N CB 0.425 38.892 38.487 -0.034 0.000 1.403 180 N HN 0.383 nan 8.380 nan 0.000 0.522 181 R N 1.094 121.592 120.500 -0.004 0.000 2.308 181 R HA 0.113 4.453 4.340 0.001 0.000 0.325 181 R C -0.176 176.114 176.300 -0.016 0.000 1.161 181 R CA -0.513 55.576 56.100 -0.017 0.000 1.022 181 R CB 0.494 30.780 30.300 -0.023 0.000 1.091 181 R HN 0.269 nan 8.270 nan 0.000 0.497 182 D N 2.080 122.462 120.400 -0.030 0.000 2.144 182 D HA -0.128 4.512 4.640 0.001 0.000 0.199 182 D C 1.633 177.934 176.300 0.002 0.000 0.984 182 D CA 1.332 55.320 54.000 -0.021 0.000 0.834 182 D CB 0.245 41.022 40.800 -0.037 0.000 0.955 182 D HN 0.362 nan 8.370 nan 0.000 0.465 183 R N 0.462 120.959 120.500 -0.005 0.000 2.083 183 R HA -0.122 4.218 4.340 0.001 0.000 0.237 183 R C 1.512 177.831 176.300 0.032 0.000 1.137 183 R CA 1.330 57.435 56.100 0.007 0.000 0.951 183 R CB -0.257 30.023 30.300 -0.033 0.000 0.851 183 R HN 0.229 nan 8.270 nan 0.000 0.434 184 D N 0.116 120.529 120.400 0.022 0.000 2.144 184 D HA -0.088 4.552 4.640 0.001 0.000 0.200 184 D C 2.016 178.375 176.300 0.098 0.000 0.978 184 D CA 0.771 54.820 54.000 0.081 0.000 0.833 184 D CB -0.179 40.671 40.800 0.084 0.000 0.961 184 D HN -0.013 nan 8.370 nan 0.000 0.470 185 V N 1.023 120.973 119.914 0.059 0.000 2.295 185 V HA -0.242 3.878 4.120 0.001 0.000 0.246 185 V C 2.259 178.384 176.094 0.052 0.000 1.049 185 V CA 1.656 63.984 62.300 0.048 0.000 1.024 185 V CB -0.328 31.510 31.823 0.026 0.000 0.648 185 V HN 0.169 nan 8.190 nan 0.000 0.447 186 K N 0.086 120.519 120.400 0.055 0.000 2.148 186 K HA -0.099 4.222 4.320 0.001 0.000 0.204 186 K C 1.707 178.358 176.600 0.085 0.000 1.050 186 K CA 1.629 57.952 56.287 0.060 0.000 0.942 186 K CB -0.250 32.286 32.500 0.060 0.000 0.724 186 K HN 0.576 nan 8.250 nan 0.000 0.446 187 N N 0.605 119.378 118.700 0.120 0.000 2.422 187 N HA 0.000 4.741 4.740 0.001 0.000 0.181 187 N C -0.720 174.870 175.510 0.134 0.000 1.080 187 N CA -0.006 53.143 53.050 0.165 0.000 0.893 187 N CB 0.232 38.863 38.487 0.239 0.000 0.973 187 N HN -0.019 nan 8.380 nan 0.000 0.456 188 K N 0.668 121.127 120.400 0.099 0.000 3.257 188 K HA -0.220 4.100 4.320 0.001 0.000 0.270 188 K C -0.785 175.843 176.600 0.047 0.000 0.984 188 K CA 0.097 56.417 56.287 0.055 0.000 0.739 188 K CB -1.930 30.582 32.500 0.021 0.000 1.351 188 K HN 0.240 nan 8.250 nan 0.000 0.463 189 F N 0.885 120.804 119.950 -0.051 0.000 2.543 189 F HA 0.246 4.773 4.527 0.001 0.000 0.375 189 F C 0.296 175.965 175.800 -0.218 0.000 1.075 189 F CA -0.065 57.861 58.000 -0.123 0.000 1.225 189 F CB 0.675 39.603 39.000 -0.120 0.000 1.099 189 F HN -0.081 nan 8.300 nan 0.000 0.561 190 V N 6.941 126.189 119.914 -1.110 0.000 2.789 190 V HA 0.252 4.372 4.120 0.001 0.000 0.311 190 V C -1.023 174.257 176.094 -1.357 0.000 1.073 190 V CA -1.014 60.739 62.300 -0.910 0.000 0.921 190 V CB 1.917 33.476 31.823 -0.440 0.000 1.009 190 V HN 0.550 nan 8.190 nan 0.000 0.426 191 Y N 5.476 125.239 120.300 -0.896 0.000 2.526 191 Y HA 0.220 4.771 4.550 0.001 0.000 0.330 191 Y C -1.039 174.409 175.900 -0.754 0.000 1.156 191 Y CA -0.978 56.595 58.100 -0.879 0.000 1.419 191 Y CB 0.693 38.787 38.460 -0.610 0.000 1.250 191 Y HN 0.476 nan 8.280 nan 0.000 0.540 192 P HA 0.083 nan 4.420 nan 0.000 0.261 192 P C -1.072 176.055 177.300 -0.288 0.000 1.352 192 P CA 0.419 63.224 63.100 -0.493 0.000 0.891 192 P CB -0.061 31.332 31.700 -0.512 0.000 1.383 193 F N -3.202 116.687 119.950 -0.102 0.000 2.817 193 F HA 0.725 5.253 4.527 0.001 0.000 0.317 193 F C -0.029 175.710 175.800 -0.103 0.000 1.168 193 F CA -1.980 55.970 58.000 -0.083 0.000 0.911 193 F CB 0.053 39.010 39.000 -0.071 0.000 1.337 193 F HN -0.153 nan 8.300 nan 0.000 0.464 194 G N 0.268 109.206 108.800 0.231 0.000 2.562 194 G HA2 0.556 4.517 3.960 0.001 0.000 0.275 194 G HA3 0.556 4.517 3.960 0.001 0.000 0.275 194 G C -1.171 173.765 174.900 0.059 0.000 1.196 194 G CA -1.011 44.129 45.100 0.068 0.000 0.908 194 G HN 0.647 nan 8.290 nan 0.000 0.524 195 M N 1.408 120.982 119.600 -0.043 0.000 1.987 195 M HA 0.214 4.694 4.480 0.001 0.000 0.298 195 M C -2.040 174.231 176.300 -0.049 0.000 0.892 195 M CA -1.438 53.827 55.300 -0.059 0.000 0.885 195 M CB 2.921 35.434 32.600 -0.144 0.000 1.469 195 M HN 0.256 nan 8.290 nan 0.000 0.389 196 P HA -0.095 nan 4.420 nan 0.000 0.218 196 P C 1.093 178.363 177.300 -0.050 0.000 1.148 196 P CA 1.462 64.529 63.100 -0.056 0.000 0.822 196 P CB 0.174 31.827 31.700 -0.079 0.000 0.784 197 I N -1.243 119.286 120.570 -0.067 0.000 2.439 197 I HA -0.127 4.044 4.170 0.001 0.000 0.251 197 I C 2.002 178.160 176.117 0.068 0.000 1.139 197 I CA 1.080 62.357 61.300 -0.038 0.000 1.438 197 I CB -0.519 37.415 38.000 -0.110 0.000 1.085 197 I HN -0.110 nan 8.210 nan 0.000 0.427 198 V N -2.432 117.532 119.914 0.082 0.000 3.590 198 V HA 0.091 4.211 4.120 0.001 0.000 0.265 198 V C 0.994 177.106 176.094 0.031 0.000 1.239 198 V CA 0.045 62.406 62.300 0.102 0.000 1.117 198 V CB -0.608 31.327 31.823 0.186 0.000 0.818 198 V HN 0.398 nan 8.190 nan 0.000 0.451 213 N N 0.427 119.121 118.700 -0.010 0.000 2.542 213 N HA 0.027 4.767 4.740 0.001 0.000 0.218 213 N C -0.743 174.747 175.510 -0.033 0.000 1.607 213 N CA 0.036 53.082 53.050 -0.007 0.000 3.190 213 N CB 0.269 38.746 38.487 -0.017 0.000 1.504 213 N HN 0.145 nan 8.380 nan 0.000 1.106 214 I N 0.789 121.295 120.570 -0.107 0.000 2.519 214 I HA 0.152 4.322 4.170 0.001 0.000 0.287 214 I C 1.330 177.374 176.117 -0.121 0.000 1.047 214 I CA 0.208 61.382 61.300 -0.210 0.000 1.381 214 I CB 0.292 37.979 38.000 -0.521 0.000 1.417 214 I HN 0.263 nan 8.210 nan 0.000 0.540 215 Y N 2.543 122.825 120.300 -0.031 0.000 2.689 215 Y HA -0.315 4.235 4.550 0.001 0.000 0.472 215 Y C 2.150 178.048 175.900 -0.004 0.000 1.363 215 Y CA 0.430 58.520 58.100 -0.017 0.000 2.372 215 Y CB -1.615 36.826 38.460 -0.032 0.000 1.076 215 Y HN 0.692 nan 8.280 nan 0.000 0.535 216 G N -0.001 108.898 108.800 0.165 0.000 2.469 216 G HA2 -0.164 3.796 3.960 0.001 0.000 0.219 216 G HA3 -0.164 3.796 3.960 0.001 0.000 0.219 216 G C 1.514 176.454 174.900 0.066 0.000 1.150 216 G CA 1.808 46.960 45.100 0.087 0.000 0.763 216 G HN 0.695 nan 8.290 nan 0.000 0.561 217 A N -0.028 122.826 122.820 0.056 0.000 1.970 217 A HA 0.326 4.646 4.320 0.001 0.000 0.216 217 A C 1.949 179.579 177.584 0.076 0.000 1.170 217 A CA 1.350 53.414 52.037 0.045 0.000 0.645 217 A CB -0.493 18.517 19.000 0.016 0.000 0.816 217 A HN 0.550 nan 8.150 nan 0.000 0.447 218 S N -0.372 115.400 115.700 0.119 0.000 2.617 218 S HA 0.199 4.670 4.470 0.001 0.000 0.255 218 S C 0.282 174.951 174.600 0.115 0.000 1.318 218 S CA -0.308 57.986 58.200 0.157 0.000 0.978 218 S CB 0.261 63.614 63.200 0.254 0.000 0.961 218 S HN 0.406 nan 8.310 nan 0.000 0.582 219 K N 0.874 121.342 120.400 0.113 0.000 2.297 219 K HA 0.175 4.496 4.320 0.001 0.000 0.286 219 K C 0.569 177.201 176.600 0.054 0.000 1.053 219 K CA -0.279 56.053 56.287 0.075 0.000 0.940 219 K CB 0.642 33.184 32.500 0.070 0.000 1.019 219 K HN 0.550 nan 8.250 nan 0.000 0.475 220 Q N 2.299 122.120 119.800 0.035 0.000 2.134 220 Q HA 0.012 4.353 4.340 0.001 0.000 0.195 220 Q C 0.367 176.373 176.000 0.010 0.000 0.958 220 Q CA 1.287 57.099 55.803 0.015 0.000 0.840 220 Q CB 0.167 28.912 28.738 0.012 0.000 0.918 220 Q HN 0.423 nan 8.270 nan 0.000 0.467 221 K N 1.146 121.555 120.400 0.014 0.000 3.277 221 K HA 0.162 4.483 4.320 0.001 0.000 0.280 221 K C -0.766 175.841 176.600 0.012 0.000 1.182 221 K CA -0.137 56.156 56.287 0.010 0.000 1.219 221 K CB -0.571 31.935 32.500 0.010 0.000 1.373 221 K HN 0.136 nan 8.250 nan 0.000 0.392 222 I N 1.627 122.205 120.570 0.013 0.000 2.648 222 I HA -0.093 4.078 4.170 0.001 0.000 0.284 222 I C 0.641 176.762 176.117 0.007 0.000 1.153 222 I CA 0.289 61.597 61.300 0.014 0.000 1.426 222 I CB 0.799 38.809 38.000 0.017 0.000 1.381 222 I HN 0.364 nan 8.210 nan 0.000 0.571 223 S N 5.478 121.183 115.700 0.008 0.000 2.697 223 S HA 0.537 5.008 4.470 0.001 0.000 0.289 223 S C -2.305 172.298 174.600 0.005 0.000 1.149 223 S CA -1.270 56.933 58.200 0.004 0.000 0.850 223 S CB 1.899 65.101 63.200 0.004 0.000 1.151 223 S HN 0.311 nan 8.310 nan 0.000 0.491 224 P HA 0.080 nan 4.420 nan 0.000 0.225 224 P C 1.244 178.547 177.300 0.006 0.000 1.148 224 P CA 0.687 63.789 63.100 0.003 0.000 0.779 224 P CB 0.019 31.719 31.700 0.001 0.000 0.780 225 R N -0.123 120.381 120.500 0.006 0.000 2.105 225 R HA -0.131 4.209 4.340 0.001 0.000 0.239 225 R C 1.769 178.076 176.300 0.012 0.000 1.135 225 R CA 1.500 57.605 56.100 0.009 0.000 0.967 225 R CB -0.649 29.656 30.300 0.008 0.000 0.861 225 R HN 0.293 nan 8.270 nan 0.000 0.442 226 D N 0.480 120.888 120.400 0.013 0.000 2.144 226 D HA -0.130 4.510 4.640 0.001 0.000 0.200 226 D C 1.882 178.193 176.300 0.019 0.000 0.978 226 D CA 1.315 55.325 54.000 0.017 0.000 0.833 226 D CB 0.012 40.824 40.800 0.019 0.000 0.961 226 D HN 0.343 nan 8.370 nan 0.000 0.470 227 I N 0.470 121.049 120.570 0.014 0.000 2.500 227 I HA -0.101 4.070 4.170 0.001 0.000 0.252 227 I C 2.143 178.267 176.117 0.011 0.000 1.142 227 I CA 0.660 61.967 61.300 0.012 0.000 1.451 227 I CB -0.424 37.580 38.000 0.007 0.000 1.093 227 I HN -0.187 nan 8.210 nan 0.000 0.430 228 E N 1.690 121.896 120.200 0.010 0.000 2.058 228 E HA -0.237 4.114 4.350 0.001 0.000 0.194 228 E C 2.080 178.693 176.600 0.022 0.000 0.997 228 E CA 1.610 58.017 56.400 0.011 0.000 0.801 228 E CB -0.123 29.583 29.700 0.009 0.000 0.746 228 E HN 0.568 nan 8.360 nan 0.000 0.450 229 E N 0.182 120.399 120.200 0.028 0.000 2.152 229 E HA -0.139 4.212 4.350 0.001 0.000 0.192 229 E C 2.036 178.677 176.600 0.067 0.000 0.983 229 E CA 0.460 56.885 56.400 0.043 0.000 0.818 229 E CB 0.113 29.831 29.700 0.030 0.000 0.758 229 E HN 0.223 nan 8.360 nan 0.000 0.467 230 I N 1.056 121.659 120.570 0.055 0.000 2.286 230 I HA -0.167 4.003 4.170 0.001 0.000 0.245 230 I C 2.447 178.611 176.117 0.078 0.000 1.104 230 I CA 0.970 62.314 61.300 0.075 0.000 1.397 230 I CB -1.339 36.694 38.000 0.056 0.000 1.072 230 I HN 0.016 nan 8.210 nan 0.000 0.417 231 A N 1.165 124.010 122.820 0.040 0.000 1.873 231 A HA -0.051 4.270 4.320 0.001 0.000 0.215 231 A C 2.523 180.122 177.584 0.024 0.000 1.186 231 A CA 1.761 53.808 52.037 0.017 0.000 0.616 231 A CB -1.396 17.599 19.000 -0.008 0.000 0.823 231 A HN 0.397 nan 8.150 nan 0.000 0.442 232 G N -0.905 107.916 108.800 0.036 0.000 2.529 232 G HA2 -0.367 3.593 3.960 0.001 0.000 0.219 232 G HA3 -0.367 3.593 3.960 0.001 0.000 0.219 232 G C 1.539 176.469 174.900 0.050 0.000 1.177 232 G CA 1.743 46.865 45.100 0.037 0.000 0.773 232 G HN 0.784 nan 8.290 nan 0.000 0.573 233 H N 1.187 120.259 119.070 0.003 0.000 2.284 233 H HA 0.090 4.646 4.556 0.001 0.000 0.304 233 H C 2.112 177.442 175.328 0.003 0.000 1.069 233 H CA 1.327 57.379 56.048 0.006 0.000 1.327 233 H CB -0.465 29.305 29.762 0.013 0.000 1.387 233 H HN 0.426 nan 8.280 nan 0.000 0.498 234 S N -0.806 114.919 115.700 0.043 0.000 2.600 234 S HA 0.168 4.638 4.470 0.001 0.000 0.265 234 S C 1.834 176.397 174.600 -0.061 0.000 1.325 234 S CA -0.340 57.850 58.200 -0.016 0.000 1.002 234 S CB 1.113 64.371 63.200 0.096 0.000 0.921 234 S HN 0.573 nan 8.310 nan 0.000 0.554 235 G N 0.469 109.233 108.800 -0.059 0.000 2.448 235 G HA2 0.086 4.047 3.960 0.001 0.000 0.219 235 G HA3 0.086 4.047 3.960 0.001 0.000 0.219 235 G C 0.407 175.288 174.900 -0.032 0.000 1.127 235 G CA 0.447 45.518 45.100 -0.049 0.000 0.766 235 G HN 0.627 nan 8.290 nan 0.000 0.552 236 L N 0.785 121.998 121.223 -0.018 0.000 2.352 236 L HA 0.400 4.740 4.340 0.001 0.000 0.269 236 L C -2.048 174.790 176.870 -0.055 0.000 1.034 236 L CA -2.461 52.366 54.840 -0.022 0.000 0.806 236 L CB 1.463 43.525 42.059 0.006 0.000 1.244 236 L HN -0.165 nan 8.230 nan 0.000 0.447 237 P HA 0.061 nan 4.420 nan 0.000 0.267 237 P C -0.823 176.358 177.300 -0.199 0.000 1.205 237 P CA -0.036 62.958 63.100 -0.177 0.000 0.765 237 P CB 0.829 32.389 31.700 -0.235 0.000 0.828 238 V N 5.076 124.875 119.914 -0.192 0.000 2.394 238 V HA 0.303 4.423 4.120 0.001 0.000 0.282 238 V C 0.193 176.169 176.094 -0.197 0.000 1.031 238 V CA -0.383 61.845 62.300 -0.120 0.000 0.881 238 V CB 0.453 32.248 31.823 -0.048 0.000 0.982 238 V HN 0.344 nan 8.190 nan 0.000 0.451 239 F N 3.292 123.200 119.950 -0.069 0.000 2.404 239 F HA 0.509 5.037 4.527 0.001 0.000 0.339 239 F C 0.270 176.076 175.800 0.010 0.000 1.105 239 F CA -0.456 57.554 58.000 0.017 0.000 1.087 239 F CB 1.758 40.843 39.000 0.142 0.000 1.143 239 F HN 0.165 nan 8.300 nan 0.000 0.491 240 V N 4.263 124.308 119.914 0.217 0.000 2.350 240 V HA 0.296 4.416 4.120 0.001 0.000 0.276 240 V C -0.182 176.006 176.094 0.157 0.000 1.028 240 V CA -0.921 61.451 62.300 0.120 0.000 0.860 240 V CB 1.268 33.136 31.823 0.076 0.000 0.990 240 V HN 0.616 nan 8.190 nan 0.000 0.453 241 K N 3.208 123.615 120.400 0.012 0.000 2.182 241 K HA 0.668 4.988 4.320 0.001 0.000 0.262 241 K C 0.715 177.274 176.600 -0.068 0.000 0.957 241 K CA 0.328 56.551 56.287 -0.108 0.000 0.842 241 K CB 1.464 33.622 32.500 -0.570 0.000 1.099 241 K HN 0.880 nan 8.250 nan 0.000 0.438 242 G N 3.488 112.290 108.800 0.003 0.000 2.175 242 G HA2 -0.160 3.800 3.960 0.001 0.000 0.182 242 G HA3 -0.160 3.800 3.960 0.001 0.000 0.182 242 G C -0.021 174.929 174.900 0.083 0.000 1.003 242 G CA -0.377 44.748 45.100 0.042 0.000 0.666 242 G HN 0.552 nan 8.290 nan 0.000 0.506 243 I N 0.905 121.547 120.570 0.120 0.000 2.556 243 I HA 0.209 4.379 4.170 0.001 0.000 0.284 243 I C 1.239 177.436 176.117 0.134 0.000 1.114 243 I CA 0.341 61.719 61.300 0.130 0.000 1.418 243 I CB 1.160 39.248 38.000 0.146 0.000 1.394 243 I HN 0.073 nan 8.210 nan 0.000 0.552 244 Q N 3.097 122.974 119.800 0.129 0.000 2.167 244 Q HA 0.136 4.476 4.340 0.001 0.000 0.251 244 Q C -0.054 176.008 176.000 0.104 0.000 0.768 244 Q CA 0.173 56.044 55.803 0.112 0.000 0.944 244 Q CB 0.821 29.617 28.738 0.096 0.000 1.179 244 Q HN 0.558 nan 8.270 nan 0.000 0.478 245 H N 3.030 122.126 119.070 0.044 0.000 2.504 245 H HA 0.204 4.760 4.556 0.001 0.000 0.322 245 H C -1.772 173.576 175.328 0.034 0.000 1.055 245 H CA -1.821 54.246 56.048 0.031 0.000 1.231 245 H CB 1.998 31.774 29.762 0.024 0.000 1.417 245 H HN -0.156 nan 8.280 nan 0.000 0.472 246 P HA -0.171 nan 4.420 nan 0.000 0.218 246 P C 1.216 178.639 177.300 0.205 0.000 1.148 246 P CA 0.923 64.099 63.100 0.127 0.000 0.822 246 P CB 0.603 32.318 31.700 0.025 0.000 0.784 247 E N 0.638 121.071 120.200 0.389 0.000 2.160 247 E HA -0.193 4.158 4.350 0.001 0.000 0.195 247 E C 1.493 178.139 176.600 0.076 0.000 0.991 247 E CA 1.452 57.950 56.400 0.164 0.000 0.810 247 E CB -0.911 28.804 29.700 0.025 0.000 0.742 247 E HN 0.097 nan 8.360 nan 0.000 0.466 248 D N -0.571 119.887 120.400 0.096 0.000 2.183 248 D HA -0.034 4.606 4.640 0.001 0.000 0.203 248 D C 1.649 177.990 176.300 0.068 0.000 0.969 248 D CA 1.276 55.310 54.000 0.057 0.000 0.842 248 D CB -0.294 40.547 40.800 0.067 0.000 0.957 248 D HN 0.322 nan 8.370 nan 0.000 0.484 249 A N 0.523 123.397 122.820 0.089 0.000 1.897 249 A HA -0.179 4.142 4.320 0.001 0.000 0.215 249 A C 1.974 179.590 177.584 0.053 0.000 1.181 249 A CA 1.770 53.854 52.037 0.078 0.000 0.620 249 A CB -0.659 18.393 19.000 0.087 0.000 0.821 249 A HN 0.126 nan 8.150 nan 0.000 0.443 250 D N -1.063 119.368 120.400 0.051 0.000 2.104 250 D HA -0.204 4.437 4.640 0.001 0.000 0.194 250 D C 1.970 178.284 176.300 0.023 0.000 0.994 250 D CA 1.748 55.769 54.000 0.035 0.000 0.830 250 D CB -0.117 40.705 40.800 0.037 0.000 0.959 250 D HN 0.311 nan 8.370 nan 0.000 0.452 251 M N 0.559 120.172 119.600 0.022 0.000 2.080 251 M HA -0.149 4.331 4.480 0.001 0.000 0.260 251 M C 2.034 178.340 176.300 0.011 0.000 1.068 251 M CA 1.954 57.261 55.300 0.011 0.000 1.109 251 M CB -0.761 31.841 32.600 0.005 0.000 1.342 251 M HN 0.107 nan 8.290 nan 0.000 0.405 252 A N 0.319 123.151 122.820 0.019 0.000 1.968 252 A HA -0.069 4.252 4.320 0.001 0.000 0.217 252 A C 2.124 179.710 177.584 0.003 0.000 1.169 252 A CA 1.319 53.365 52.037 0.015 0.000 0.638 252 A CB -0.763 18.256 19.000 0.031 0.000 0.812 252 A HN 0.615 nan 8.150 nan 0.000 0.446 253 I N -0.851 119.722 120.570 0.005 0.000 2.202 253 I HA -0.219 3.952 4.170 0.001 0.000 0.242 253 I C 2.448 178.560 176.117 -0.009 0.000 1.091 253 I CA 1.673 62.969 61.300 -0.007 0.000 1.368 253 I CB -0.240 37.758 38.000 -0.002 0.000 1.058 253 I HN 0.194 nan 8.210 nan 0.000 0.410 254 K N 1.220 121.619 120.400 -0.002 0.000 2.113 254 K HA -0.217 4.103 4.320 0.001 0.000 0.208 254 K C 2.222 178.818 176.600 -0.005 0.000 1.047 254 K CA 1.312 57.597 56.287 -0.003 0.000 0.928 254 K CB -0.166 32.334 32.500 0.001 0.000 0.716 254 K HN 0.124 nan 8.250 nan 0.000 0.446 255 R N -0.552 119.945 120.500 -0.005 0.000 2.299 255 R HA 0.018 4.359 4.340 0.001 0.000 0.197 255 R C 0.528 176.821 176.300 -0.011 0.000 0.971 255 R CA 1.395 57.492 56.100 -0.005 0.000 1.030 255 R CB -0.095 30.204 30.300 -0.001 0.000 0.932 255 R HN 0.312 nan 8.270 nan 0.000 0.477 256 G N -0.130 108.658 108.800 -0.019 0.000 2.143 256 G HA2 -0.174 3.787 3.960 0.001 0.000 0.175 256 G HA3 -0.174 3.787 3.960 0.001 0.000 0.175 256 G C 0.093 174.964 174.900 -0.050 0.000 1.004 256 G CA 0.024 45.106 45.100 -0.030 0.000 0.671 256 G HN 0.637 nan 8.290 nan 0.000 0.512 257 A N 0.170 122.958 122.820 -0.053 0.000 2.462 257 A HA 0.697 5.017 4.320 0.001 0.000 0.243 257 A C 1.297 178.799 177.584 -0.137 0.000 1.076 257 A CA 1.073 53.056 52.037 -0.089 0.000 0.773 257 A CB 0.563 19.527 19.000 -0.059 0.000 1.010 257 A HN 0.916 nan 8.150 nan 0.000 0.493 258 S N 0.587 116.146 115.700 -0.235 0.000 2.557 258 S HA 0.438 4.908 4.470 0.001 0.000 0.223 258 S C 0.588 174.922 174.600 -0.444 0.000 0.969 258 S CA 0.454 58.483 58.200 -0.285 0.000 0.927 258 S CB 0.132 63.163 63.200 -0.283 0.000 0.806 258 S HN 1.386 nan 8.310 nan 0.000 0.489 259 G N 0.969 109.465 108.800 -0.507 0.000 2.702 259 G HA2 0.533 4.494 3.960 0.001 0.000 0.296 259 G HA3 0.533 4.494 3.960 0.001 0.000 0.296 259 G C -1.740 173.117 174.900 -0.071 0.000 1.463 259 G CA -0.551 44.210 45.100 -0.565 0.000 0.890 259 G HN 0.063 nan 8.290 nan 0.000 0.534 260 I N 1.196 121.884 120.570 0.195 0.000 2.406 260 I HA 0.451 4.622 4.170 0.001 0.000 0.290 260 I C -1.090 175.301 176.117 0.457 0.000 0.999 260 I CA -1.183 60.289 61.300 0.287 0.000 1.124 260 I CB 1.816 39.921 38.000 0.176 0.000 1.289 260 I HN 0.603 nan 8.210 nan 0.000 0.441 261 W N 8.075 129.520 121.300 0.241 0.000 2.413 261 W HA 0.439 5.099 4.660 0.001 0.000 0.308 261 W C -1.265 175.303 176.519 0.082 0.000 0.997 261 W CA -0.865 56.575 57.345 0.159 0.000 1.447 261 W CB 1.319 30.831 29.460 0.087 0.000 1.263 261 W HN 0.082 nan 8.180 nan 0.000 0.416 262 V N 5.671 125.803 119.914 0.363 0.000 2.479 262 V HA 0.337 4.457 4.120 0.001 0.000 0.281 262 V C 0.369 176.560 176.094 0.163 0.000 1.031 262 V CA 0.569 63.030 62.300 0.269 0.000 1.038 262 V CB 0.708 32.735 31.823 0.340 0.000 0.981 262 V HN 0.485 nan 8.190 nan 0.000 0.478 263 S N 3.440 119.210 115.700 0.117 0.000 2.543 263 S HA 0.408 4.878 4.470 0.001 0.000 0.274 263 S C -0.271 174.351 174.600 0.037 0.000 1.149 263 S CA -0.560 57.654 58.200 0.024 0.000 0.866 263 S CB 1.501 64.749 63.200 0.080 0.000 1.111 263 S HN 0.897 nan 8.310 nan 0.000 0.457 264 N N 1.816 120.527 118.700 0.019 0.000 2.282 264 N HA 0.195 4.935 4.740 0.001 0.000 0.240 264 N C -0.045 175.544 175.510 0.132 0.000 1.182 264 N CA 0.139 53.230 53.050 0.069 0.000 0.874 264 N CB -0.637 37.886 38.487 0.061 0.000 1.126 264 N HN 0.908 nan 8.380 nan 0.000 0.516 265 H N -0.007 119.046 119.070 -0.028 0.000 2.886 265 H HA -0.103 4.454 4.556 0.001 0.000 0.294 265 H C 0.979 176.289 175.328 -0.029 0.000 1.246 265 H CA 0.740 56.771 56.048 -0.029 0.000 1.142 265 H CB -1.344 28.413 29.762 -0.009 0.000 1.358 265 H HN 0.629 nan 8.280 nan 0.000 0.406 266 G N -0.423 108.401 108.800 0.039 0.000 2.283 266 G HA2 -0.003 3.957 3.960 0.001 0.000 0.280 266 G HA3 -0.003 3.957 3.960 0.001 0.000 0.280 266 G C 0.988 175.916 174.900 0.047 0.000 1.029 266 G CA 1.160 46.272 45.100 0.019 0.000 0.840 266 G HN 1.983 nan 8.290 nan 0.000 0.505 267 A N -2.257 120.605 122.820 0.069 0.000 2.899 267 A HA -0.279 4.041 4.320 0.001 0.000 0.257 267 A C 1.642 179.276 177.584 0.084 0.000 1.335 267 A CA 2.357 54.442 52.037 0.079 0.000 0.924 267 A CB -1.649 17.394 19.000 0.071 0.000 1.105 267 A HN 1.123 nan 8.150 nan 0.000 0.765 268 R N -1.166 119.380 120.500 0.077 0.000 2.317 268 R HA 0.127 4.468 4.340 0.001 0.000 0.208 268 R C 1.676 177.961 176.300 -0.024 0.000 0.914 268 R CA 0.788 56.906 56.100 0.030 0.000 1.060 268 R CB 0.060 30.393 30.300 0.056 0.000 1.015 268 R HN 0.686 nan 8.270 nan 0.000 0.498 269 Q N 0.055 119.845 119.800 -0.017 0.000 3.068 269 Q HA 0.179 4.520 4.340 0.001 0.000 0.219 269 Q C -0.051 175.966 176.000 0.028 0.000 1.163 269 Q CA -0.499 55.268 55.803 -0.060 0.000 0.316 269 Q CB -0.643 28.010 28.738 -0.142 0.000 5.753 269 Q HN 0.037 nan 8.270 nan 0.000 0.323 270 L N 2.035 123.279 121.223 0.035 0.000 2.462 270 L HA 0.071 4.412 4.340 0.001 0.000 0.272 270 L C -0.662 176.282 176.870 0.124 0.000 1.166 270 L CA 0.274 55.156 54.840 0.070 0.000 0.880 270 L CB -0.248 41.837 42.059 0.044 0.000 1.142 270 L HN 0.263 nan 8.230 nan 0.000 0.473 271 Y N 4.505 124.829 120.300 0.040 0.000 2.307 271 Y HA 0.241 4.791 4.550 0.000 0.000 0.324 271 Y C 0.873 176.816 175.900 0.072 0.000 1.238 271 Y CA -0.263 57.878 58.100 0.069 0.000 1.280 271 Y CB 0.580 39.070 38.460 0.051 0.000 1.248 271 Y HN 0.859 nan 8.280 nan 0.000 0.508 272 E N 1.231 120.859 120.200 -0.954 0.000 2.416 272 E HA -0.215 4.135 4.350 0.001 0.000 0.249 272 E C -1.372 175.100 176.600 -0.213 0.000 1.124 272 E CA 0.411 56.410 56.400 -0.668 0.000 0.732 272 E CB -1.149 28.172 29.700 -0.632 0.000 1.286 272 E HN 0.712 nan 8.360 nan 0.000 0.394 273 A N 0.597 123.379 122.820 -0.062 0.000 2.346 273 A HA 0.823 5.143 4.320 0.001 0.000 0.313 273 A C -2.470 175.185 177.584 0.118 0.000 1.140 273 A CA -1.249 50.806 52.037 0.031 0.000 0.826 273 A CB 0.930 19.951 19.000 0.035 0.000 1.332 273 A HN 0.044 nan 8.150 nan 0.000 0.457 274 P HA 0.275 nan 4.420 nan 0.000 0.272 274 P C 0.346 177.675 177.300 0.047 0.000 1.230 274 P CA 0.153 63.309 63.100 0.093 0.000 0.788 274 P CB 0.272 32.002 31.700 0.050 0.000 0.949 275 G N 0.497 109.294 108.800 -0.006 0.000 2.380 275 G HA2 0.041 4.001 3.960 0.001 0.000 0.242 275 G HA3 0.041 4.001 3.960 0.001 0.000 0.242 275 G C 1.277 176.171 174.900 -0.009 0.000 1.298 275 G CA -0.075 44.986 45.100 -0.066 0.000 0.878 275 G HN 0.481 nan 8.290 nan 0.000 0.542 276 S N 2.067 117.790 115.700 0.038 0.000 2.372 276 S HA -0.246 4.224 4.470 0.001 0.000 0.227 276 S C 1.968 176.751 174.600 0.305 0.000 1.044 276 S CA 1.947 60.244 58.200 0.161 0.000 1.050 276 S CB -0.437 62.833 63.200 0.117 0.000 0.901 276 S HN 0.629 nan 8.310 nan 0.000 0.447 277 F N 2.017 121.960 119.950 -0.013 0.000 2.161 277 F HA -0.164 4.363 4.527 0.000 0.000 0.300 277 F C 1.908 177.556 175.800 -0.253 0.000 1.089 277 F CA 1.892 59.655 58.000 -0.395 0.000 1.282 277 F CB -0.246 38.092 39.000 -1.105 0.000 1.010 277 F HN 0.221 nan 8.300 nan 0.000 0.485 278 D N -0.314 119.894 120.400 -0.320 0.000 2.263 278 D HA -0.146 4.494 4.640 0.001 0.000 0.208 278 D C 2.308 178.479 176.300 -0.215 0.000 0.971 278 D CA 1.744 55.574 54.000 -0.283 0.000 0.867 278 D CB -0.456 40.309 40.800 -0.059 0.000 0.929 278 D HN 0.461 nan 8.370 nan 0.000 0.492 279 T N -1.718 112.763 114.554 -0.121 0.000 3.081 279 T HA -0.000 4.350 4.350 0.001 0.000 0.255 279 T C 1.843 176.508 174.700 -0.059 0.000 1.113 279 T CA -0.064 61.999 62.100 -0.061 0.000 1.082 279 T CB -0.047 68.832 68.868 0.018 0.000 0.939 279 T HN 0.011 nan 8.240 nan 0.000 0.506 280 L N 2.393 123.549 121.223 -0.113 0.000 2.044 280 L HA 0.276 4.616 4.340 0.001 0.000 0.205 280 L C -0.963 175.856 176.870 -0.085 0.000 1.075 280 L CA 1.435 56.242 54.840 -0.054 0.000 0.747 280 L CB -1.244 40.735 42.059 -0.134 0.000 0.903 280 L HN 0.059 nan 8.230 nan 0.000 0.435 281 P HA -0.168 nan 4.420 nan 0.000 0.215 281 P C 1.617 178.878 177.300 -0.065 0.000 1.157 281 P CA 2.217 65.250 63.100 -0.112 0.000 0.868 281 P CB -0.248 31.362 31.700 -0.151 0.000 0.788 282 A N -0.908 121.867 122.820 -0.075 0.000 1.933 282 A HA -0.182 4.138 4.320 0.001 0.000 0.218 282 A C 2.211 179.781 177.584 -0.023 0.000 1.175 282 A CA 1.498 53.502 52.037 -0.056 0.000 0.628 282 A CB -1.634 17.316 19.000 -0.083 0.000 0.814 282 A HN 0.126 nan 8.150 nan 0.000 0.444 283 I N -0.351 120.216 120.570 -0.004 0.000 2.202 283 I HA -0.247 3.923 4.170 0.001 0.000 0.242 283 I C 2.963 179.105 176.117 0.042 0.000 1.091 283 I CA 1.047 62.369 61.300 0.037 0.000 1.368 283 I CB -0.347 37.698 38.000 0.075 0.000 1.058 283 I HN 0.336 nan 8.210 nan 0.000 0.410 284 A N 0.525 123.365 122.820 0.034 0.000 1.933 284 A HA -0.229 4.092 4.320 0.001 0.000 0.218 284 A C 2.176 179.776 177.584 0.026 0.000 1.175 284 A CA 1.748 53.809 52.037 0.039 0.000 0.628 284 A CB -0.594 18.427 19.000 0.035 0.000 0.814 284 A HN 0.453 nan 8.150 nan 0.000 0.444 285 E N -0.891 119.316 120.200 0.011 0.000 2.058 285 E HA -0.236 4.115 4.350 0.001 0.000 0.194 285 E C 2.281 178.889 176.600 0.013 0.000 0.997 285 E CA 1.488 57.892 56.400 0.007 0.000 0.801 285 E CB -0.157 29.539 29.700 -0.006 0.000 0.746 285 E HN 0.500 nan 8.360 nan 0.000 0.450 286 R N 0.718 121.228 120.500 0.017 0.000 2.120 286 R HA -0.100 4.240 4.340 0.001 0.000 0.234 286 R C 2.015 178.332 176.300 0.029 0.000 1.123 286 R CA 0.846 56.961 56.100 0.024 0.000 0.975 286 R CB -0.369 29.951 30.300 0.033 0.000 0.866 286 R HN 0.033 nan 8.270 nan 0.000 0.446 287 V N 1.290 121.225 119.914 0.035 0.000 2.427 287 V HA -0.175 3.945 4.120 0.001 0.000 0.248 287 V C 1.134 177.243 176.094 0.026 0.000 1.051 287 V CA 1.658 63.979 62.300 0.036 0.000 1.048 287 V CB -0.855 30.998 31.823 0.049 0.000 0.666 287 V HN 0.758 nan 8.190 nan 0.000 0.456 288 N N 0.454 119.169 118.700 0.025 0.000 2.727 288 N HA -0.307 4.433 4.740 0.001 0.000 0.249 288 N C 0.323 175.845 175.510 0.020 0.000 1.048 288 N CA 0.786 53.848 53.050 0.020 0.000 0.714 288 N CB -0.634 37.862 38.487 0.015 0.000 0.959 288 N HN 0.692 nan 8.380 nan 0.000 0.544 289 K N -2.746 117.669 120.400 0.025 0.000 3.349 289 K HA -0.276 4.045 4.320 0.001 0.000 0.310 289 K C 1.034 177.644 176.600 0.017 0.000 1.267 289 K CA 1.495 57.797 56.287 0.025 0.000 0.920 289 K CB -1.057 31.458 32.500 0.024 0.000 1.240 289 K HN 0.478 nan 8.250 nan 0.000 0.453 290 R N 0.799 121.307 120.500 0.013 0.000 2.091 290 R HA -0.090 4.250 4.340 0.001 0.000 0.238 290 R C 1.312 177.608 176.300 -0.008 0.000 1.136 290 R CA 1.821 57.922 56.100 0.002 0.000 0.959 290 R CB 0.048 30.349 30.300 0.001 0.000 0.856 290 R HN 0.359 nan 8.270 nan 0.000 0.437 291 V N -3.782 116.130 119.914 -0.003 0.000 3.159 291 V HA 0.569 4.689 4.120 0.001 0.000 0.308 291 V C -2.806 173.296 176.094 0.014 0.000 1.190 291 V CA -3.109 59.177 62.300 -0.023 0.000 1.037 291 V CB 2.202 33.986 31.823 -0.064 0.000 1.060 291 V HN -0.179 nan 8.190 nan 0.000 0.437 292 P HA 0.510 nan 4.420 nan 0.000 0.272 292 P C -0.833 176.565 177.300 0.163 0.000 1.230 292 P CA -0.016 63.145 63.100 0.102 0.000 0.788 292 P CB 0.455 32.248 31.700 0.154 0.000 0.949 293 I N 1.157 121.831 120.570 0.173 0.000 2.418 293 I HA 0.234 4.404 4.170 0.001 0.000 0.287 293 I C -0.428 175.771 176.117 0.137 0.000 1.008 293 I CA -1.028 60.383 61.300 0.185 0.000 1.104 293 I CB 1.878 39.969 38.000 0.151 0.000 1.264 293 I HN -0.048 nan 8.210 nan 0.000 0.438 294 V N 6.720 126.660 119.914 0.043 0.000 2.509 294 V HA 0.310 4.430 4.120 0.001 0.000 0.284 294 V C -0.515 175.451 176.094 -0.214 0.000 1.047 294 V CA -0.470 61.642 62.300 -0.314 0.000 0.952 294 V CB 1.551 32.703 31.823 -1.117 0.000 0.988 294 V HN 0.455 nan 8.190 nan 0.000 0.469 295 F N 5.424 125.246 119.950 -0.215 0.000 2.482 295 F HA 0.730 5.257 4.527 0.001 0.000 0.331 295 F C -0.408 175.393 175.800 0.002 0.000 1.115 295 F CA -0.549 57.436 58.000 -0.026 0.000 0.955 295 F CB 1.493 40.562 39.000 0.114 0.000 1.136 295 F HN 0.700 nan 8.300 nan 0.000 0.452 296 D N 1.761 121.622 120.400 -0.897 0.000 2.579 296 D HA 0.684 5.324 4.640 0.001 0.000 0.257 296 D C -1.462 174.338 176.300 -0.832 0.000 1.176 296 D CA -0.995 52.613 54.000 -0.654 0.000 0.914 296 D CB 1.864 42.619 40.800 -0.076 0.000 1.431 296 D HN 0.489 nan 8.370 nan 0.000 0.454 297 S N -0.780 114.743 115.700 -0.294 0.000 3.612 297 S HA 0.465 4.936 4.470 0.001 0.000 0.790 297 S C 0.367 175.034 174.600 0.111 0.000 0.425 297 S CA 0.026 58.172 58.200 -0.090 0.000 1.287 297 S CB -1.210 61.921 63.200 -0.115 0.000 0.687 297 S HN 1.808 nan 8.310 nan 0.000 1.009 298 G N -0.121 108.792 108.800 0.188 0.000 2.192 298 G HA2 -0.165 3.795 3.960 0.001 0.000 0.193 298 G HA3 -0.165 3.795 3.960 0.001 0.000 0.193 298 G C -0.026 175.182 174.900 0.513 0.000 0.999 298 G CA -0.248 45.062 45.100 0.349 0.000 0.659 298 G HN 1.395 nan 8.290 nan 0.000 0.503 299 V N 1.940 122.097 119.914 0.405 0.000 2.450 299 V HA 0.365 4.486 4.120 0.001 0.000 0.281 299 V C 1.368 177.603 176.094 0.236 0.000 1.019 299 V CA 0.362 62.815 62.300 0.254 0.000 1.062 299 V CB 1.045 32.943 31.823 0.124 0.000 0.979 299 V HN 0.354 nan 8.190 nan 0.000 0.477 300 R N 3.673 124.369 120.500 0.326 0.000 2.517 300 R HA 0.346 4.687 4.340 0.001 0.000 0.265 300 R C 0.421 176.585 176.300 -0.226 0.000 0.921 300 R CA 0.030 56.162 56.100 0.052 0.000 1.054 300 R CB 0.856 30.948 30.300 -0.346 0.000 1.340 300 R HN 0.584 nan 8.270 nan 0.000 0.551 301 R N -1.434 118.819 120.500 -0.411 0.000 2.808 301 R HA 0.399 4.740 4.340 0.001 0.000 0.272 301 R C 0.880 176.939 176.300 -0.402 0.000 0.995 301 R CA -0.272 55.477 56.100 -0.584 0.000 0.917 301 R CB 1.162 30.976 30.300 -0.809 0.000 1.217 301 R HN -0.020 nan 8.270 nan 0.000 0.471 302 G N 0.878 109.466 108.800 -0.354 0.000 2.469 302 G HA2 -0.303 3.657 3.960 0.001 0.000 0.220 302 G HA3 -0.303 3.657 3.960 0.001 0.000 0.220 302 G C 0.781 175.561 174.900 -0.199 0.000 1.136 302 G CA 0.983 45.963 45.100 -0.199 0.000 0.759 302 G HN 0.597 nan 8.290 nan 0.000 0.562 303 E N 0.120 120.150 120.200 -0.284 0.000 2.130 303 E HA -0.140 4.210 4.350 0.001 0.000 0.196 303 E C 2.085 178.540 176.600 -0.241 0.000 0.998 303 E CA 1.431 57.697 56.400 -0.224 0.000 0.806 303 E CB -0.400 29.181 29.700 -0.197 0.000 0.738 303 E HN 0.784 nan 8.360 nan 0.000 0.459 304 H N -0.885 117.853 119.070 -0.554 0.000 2.357 304 H HA -0.040 4.516 4.556 0.001 0.000 0.301 304 H C 2.088 177.064 175.328 -0.587 0.000 1.082 304 H CA 0.933 56.301 56.048 -1.133 0.000 1.342 304 H CB 0.089 28.764 29.762 -1.811 0.000 1.389 304 H HN -0.014 nan 8.280 nan 0.000 0.511 305 V N 1.387 121.207 119.914 -0.156 0.000 2.287 305 V HA -0.307 3.813 4.120 0.001 0.000 0.248 305 V C 2.766 178.876 176.094 0.028 0.000 1.053 305 V CA 1.660 63.963 62.300 0.005 0.000 1.027 305 V CB -1.020 30.858 31.823 0.092 0.000 0.646 305 V HN 0.541 nan 8.190 nan 0.000 0.447 306 A N 0.136 122.956 122.820 0.000 0.000 1.873 306 A HA -0.302 4.019 4.320 0.001 0.000 0.218 306 A C 2.308 179.934 177.584 0.071 0.000 1.193 306 A CA 2.433 54.490 52.037 0.034 0.000 0.629 306 A CB -0.563 18.447 19.000 0.017 0.000 0.826 306 A HN 0.568 nan 8.150 nan 0.000 0.447 307 K N -0.468 119.967 120.400 0.057 0.000 2.097 307 K HA -0.041 4.279 4.320 0.001 0.000 0.206 307 K C 2.309 179.060 176.600 0.251 0.000 1.049 307 K CA 1.068 57.446 56.287 0.151 0.000 0.933 307 K CB -0.337 32.210 32.500 0.079 0.000 0.717 307 K HN 0.466 nan 8.250 nan 0.000 0.442 308 A N 1.143 124.074 122.820 0.184 0.000 1.877 308 A HA -0.157 4.164 4.320 0.001 0.000 0.216 308 A C 2.053 179.723 177.584 0.143 0.000 1.186 308 A CA 1.332 53.466 52.037 0.161 0.000 0.620 308 A CB -0.477 18.595 19.000 0.119 0.000 0.822 308 A HN 0.092 nan 8.150 nan 0.000 0.443 309 L N -0.378 120.922 121.223 0.127 0.000 2.027 309 L HA -0.071 4.269 4.340 0.001 0.000 0.206 309 L C 2.969 179.904 176.870 0.109 0.000 1.074 309 L CA 1.850 56.755 54.840 0.108 0.000 0.745 309 L CB -0.905 41.208 42.059 0.091 0.000 0.898 309 L HN 0.382 nan 8.230 nan 0.000 0.433 310 A N -1.769 121.126 122.820 0.125 0.000 2.076 310 A HA -0.164 4.156 4.320 0.001 0.000 0.220 310 A C 2.236 179.896 177.584 0.127 0.000 1.160 310 A CA 1.941 54.055 52.037 0.128 0.000 0.653 310 A CB -0.520 18.571 19.000 0.151 0.000 0.801 310 A HN 0.428 nan 8.150 nan 0.000 0.455 311 S N -2.171 113.616 115.700 0.145 0.000 2.557 311 S HA 0.424 4.894 4.470 0.001 0.000 0.223 311 S C 1.194 175.822 174.600 0.047 0.000 0.969 311 S CA 0.627 58.881 58.200 0.091 0.000 0.927 311 S CB 0.472 63.734 63.200 0.102 0.000 0.806 311 S HN 1.466 nan 8.310 nan 0.000 0.489 312 G N 0.982 109.823 108.800 0.068 0.000 2.229 312 G HA2 -0.065 3.895 3.960 0.001 0.000 0.189 312 G HA3 -0.065 3.895 3.960 0.001 0.000 0.189 312 G C 0.146 175.097 174.900 0.084 0.000 1.000 312 G CA -0.302 44.835 45.100 0.062 0.000 0.663 312 G HN 0.729 nan 8.290 nan 0.000 0.493 313 A N 0.284 123.164 122.820 0.101 0.000 2.322 313 A HA 0.639 4.959 4.320 0.001 0.000 0.269 313 A C 0.973 178.622 177.584 0.107 0.000 1.094 313 A CA 0.630 52.744 52.037 0.129 0.000 0.807 313 A CB 0.500 19.608 19.000 0.181 0.000 1.047 313 A HN 0.114 nan 8.150 nan 0.000 0.487 314 D N -0.560 119.903 120.400 0.105 0.000 2.259 314 D HA 0.123 4.763 4.640 0.001 0.000 0.216 314 D C 0.724 177.069 176.300 0.076 0.000 0.961 314 D CA 1.879 55.933 54.000 0.090 0.000 0.878 314 D CB 0.286 41.148 40.800 0.104 0.000 1.009 314 D HN 0.516 nan 8.370 nan 0.000 0.490 315 V N -1.168 118.784 119.914 0.063 0.000 3.130 315 V HA 0.662 4.783 4.120 0.001 0.000 0.310 315 V C -0.210 175.903 176.094 0.031 0.000 1.158 315 V CA -1.115 61.205 62.300 0.032 0.000 1.029 315 V CB 2.044 33.855 31.823 -0.021 0.000 1.057 315 V HN -0.079 nan 8.190 nan 0.000 0.436 316 V N -0.549 119.401 119.914 0.059 0.000 2.850 316 V HA 1.037 5.157 4.120 0.001 0.000 0.315 316 V C 0.273 176.320 176.094 -0.077 0.000 1.064 316 V CA -0.144 62.195 62.300 0.065 0.000 0.979 316 V CB 1.320 33.258 31.823 0.192 0.000 1.039 316 V HN 2.060 nan 8.190 nan 0.000 0.452 317 A N 3.822 126.560 122.820 -0.136 0.000 2.330 317 A HA 0.848 5.168 4.320 0.001 0.000 0.327 317 A C -0.580 176.929 177.584 -0.126 0.000 1.155 317 A CA -0.816 51.148 52.037 -0.121 0.000 0.803 317 A CB 0.832 19.817 19.000 -0.024 0.000 1.208 317 A HN 0.975 nan 8.150 nan 0.000 0.477 318 L N 2.391 123.493 121.223 -0.201 0.000 2.322 318 L HA 0.684 5.025 4.340 0.001 0.000 0.279 318 L C 1.057 177.805 176.870 -0.204 0.000 1.036 318 L CA -0.229 54.418 54.840 -0.322 0.000 0.807 318 L CB 1.821 43.515 42.059 -0.608 0.000 1.226 318 L HN 0.907 nan 8.230 nan 0.000 0.433 319 G N 0.903 109.583 108.800 -0.201 0.000 2.710 319 G HA2 0.157 4.118 3.960 0.001 0.000 0.198 319 G HA3 0.157 4.118 3.960 0.001 0.000 0.198 319 G C 1.035 175.773 174.900 -0.270 0.000 1.797 319 G CA -0.288 44.698 45.100 -0.190 0.000 0.759 319 G HN 0.531 nan 8.290 nan 0.000 0.808 320 R N 1.330 121.638 120.500 -0.321 0.000 2.133 320 R HA -0.144 4.197 4.340 0.001 0.000 0.245 320 R C -0.126 175.778 176.300 -0.661 0.000 1.137 320 R CA 2.454 58.203 56.100 -0.585 0.000 0.947 320 R CB -1.288 28.699 30.300 -0.521 0.000 0.865 320 R HN 0.313 nan 8.270 nan 0.000 0.437 321 P HA -0.118 nan 4.420 nan 0.000 0.218 321 P C 1.494 178.759 177.300 -0.058 0.000 1.148 321 P CA 1.276 64.348 63.100 -0.047 0.000 0.822 321 P CB -0.083 31.680 31.700 0.105 0.000 0.784 322 V N -0.492 119.342 119.914 -0.134 0.000 2.358 322 V HA -0.198 3.923 4.120 0.001 0.000 0.246 322 V C 2.687 178.716 176.094 -0.108 0.000 1.047 322 V CA 1.425 63.664 62.300 -0.102 0.000 1.035 322 V CB -1.265 30.480 31.823 -0.129 0.000 0.658 322 V HN -0.017 nan 8.190 nan 0.000 0.452 323 L N -1.025 120.058 121.223 -0.234 0.000 2.046 323 L HA -0.132 4.208 4.340 0.001 0.000 0.208 323 L C 2.255 179.100 176.870 -0.043 0.000 1.077 323 L CA 1.996 56.704 54.840 -0.219 0.000 0.747 323 L CB -0.713 41.133 42.059 -0.356 0.000 0.896 323 L HN 0.213 nan 8.230 nan 0.000 0.432 324 F N -0.474 119.484 119.950 0.013 0.000 2.134 324 F HA -0.098 4.430 4.527 0.001 0.000 0.299 324 F C 2.471 178.288 175.800 0.029 0.000 1.097 324 F CA 0.978 59.009 58.000 0.051 0.000 1.264 324 F CB -1.768 37.260 39.000 0.046 0.000 1.001 324 F HN 0.093 nan 8.300 nan 0.000 0.479 325 G N 0.150 109.051 108.800 0.168 0.000 2.446 325 G HA2 -0.267 3.694 3.960 0.001 0.000 0.217 325 G HA3 -0.267 3.694 3.960 0.001 0.000 0.217 325 G C 1.781 176.709 174.900 0.046 0.000 1.168 325 G CA 0.982 46.130 45.100 0.080 0.000 0.771 325 G HN 0.337 nan 8.290 nan 0.000 0.551 326 L N 1.284 122.530 121.223 0.039 0.000 2.012 326 L HA 0.018 4.358 4.340 0.001 0.000 0.210 326 L C 3.161 180.058 176.870 0.045 0.000 1.073 326 L CA 2.290 57.128 54.840 -0.002 0.000 0.748 326 L CB -0.569 41.514 42.059 0.040 0.000 0.891 326 L HN 0.256 nan 8.230 nan 0.000 0.431 327 A N -0.958 121.969 122.820 0.179 0.000 1.908 327 A HA -0.165 4.156 4.320 0.001 0.000 0.218 327 A C 2.029 179.742 177.584 0.216 0.000 1.181 327 A CA 1.823 54.020 52.037 0.266 0.000 0.627 327 A CB -0.738 18.445 19.000 0.304 0.000 0.818 327 A HN 0.408 nan 8.150 nan 0.000 0.445 328 L N -1.759 119.543 121.223 0.132 0.000 2.313 328 L HA 0.107 4.447 4.340 0.001 0.000 0.214 328 L C 1.811 178.699 176.870 0.030 0.000 1.119 328 L CA 1.785 56.669 54.840 0.073 0.000 0.809 328 L CB -1.094 40.991 42.059 0.043 0.000 0.933 328 L HN 0.526 nan 8.230 nan 0.000 0.449 329 G N -2.260 106.522 108.800 -0.031 0.000 5.070 329 G HA2 0.416 4.376 3.960 0.001 0.000 0.249 329 G HA3 0.416 4.376 3.960 0.001 0.000 0.249 329 G C 0.805 175.518 174.900 -0.312 0.000 0.931 329 G CA 0.368 45.386 45.100 -0.138 0.000 0.753 329 G HN 0.477 nan 8.290 nan 0.000 0.320 330 G N 0.963 109.427 108.800 -0.560 0.000 2.594 330 G HA2 -0.368 3.593 3.960 0.001 0.000 0.297 330 G HA3 -0.368 3.593 3.960 0.001 0.000 0.297 330 G C 1.398 176.124 174.900 -0.290 0.000 1.273 330 G CA 0.930 45.520 45.100 -0.850 0.000 0.974 330 G HN 1.042 nan 8.290 nan 0.000 0.552 331 W N 0.595 121.772 121.300 -0.205 0.000 2.374 331 W HA -0.074 4.587 4.660 0.001 0.000 0.288 331 W C 2.096 178.584 176.519 -0.051 0.000 1.218 331 W CA 1.673 58.975 57.345 -0.073 0.000 1.245 331 W CB -0.832 28.612 29.460 -0.026 0.000 1.126 331 W HN 0.689 nan 8.180 nan 0.000 0.545 332 Q N 0.824 119.973 119.800 -1.085 0.000 2.079 332 Q HA -0.054 4.287 4.340 0.001 0.000 0.200 332 Q C 2.810 178.542 176.000 -0.447 0.000 0.974 332 Q CA 1.867 56.915 55.803 -1.259 0.000 0.840 332 Q CB -0.785 26.805 28.738 -1.915 0.000 0.898 332 Q HN 0.438 nan 8.270 nan 0.000 0.430 333 G N 1.069 109.680 108.800 -0.315 0.000 2.459 333 G HA2 -0.306 3.654 3.960 0.001 0.000 0.217 333 G HA3 -0.306 3.654 3.960 0.001 0.000 0.217 333 G C 1.525 176.432 174.900 0.011 0.000 1.183 333 G CA 1.067 46.109 45.100 -0.097 0.000 0.776 333 G HN 0.432 nan 8.290 nan 0.000 0.552 334 A N -0.184 122.650 122.820 0.023 0.000 1.908 334 A HA -0.093 4.227 4.320 0.001 0.000 0.218 334 A C 2.234 179.902 177.584 0.140 0.000 1.181 334 A CA 1.814 53.900 52.037 0.081 0.000 0.627 334 A CB -0.708 18.359 19.000 0.111 0.000 0.818 334 A HN 0.528 nan 8.150 nan 0.000 0.445 335 Y N 1.030 121.396 120.300 0.110 0.000 2.181 335 Y HA -0.185 4.365 4.550 0.001 0.000 0.288 335 Y C 2.747 178.764 175.900 0.195 0.000 1.146 335 Y CA 1.798 60.023 58.100 0.209 0.000 1.164 335 Y CB -0.189 38.476 38.460 0.343 0.000 0.982 335 Y HN 0.317 nan 8.280 nan 0.000 0.515 336 S N -0.676 115.243 115.700 0.366 0.000 2.400 336 S HA -0.205 4.265 4.470 0.001 0.000 0.232 336 S C 1.988 176.660 174.600 0.120 0.000 1.025 336 S CA 1.415 59.773 58.200 0.264 0.000 0.993 336 S CB -0.579 62.752 63.200 0.218 0.000 0.808 336 S HN 0.335 nan 8.310 nan 0.000 0.478 337 V N 1.780 121.737 119.914 0.072 0.000 2.346 337 V HA -0.075 4.046 4.120 0.001 0.000 0.244 337 V C 2.141 178.289 176.094 0.089 0.000 1.037 337 V CA 1.305 63.648 62.300 0.071 0.000 1.029 337 V CB -0.679 31.179 31.823 0.057 0.000 0.663 337 V HN 0.410 nan 8.190 nan 0.000 0.454 338 L N 0.190 121.340 121.223 -0.122 0.000 2.042 338 L HA -0.244 4.096 4.340 0.001 0.000 0.210 338 L C 2.344 179.011 176.870 -0.339 0.000 1.076 338 L CA 2.168 56.755 54.840 -0.421 0.000 0.749 338 L CB -0.675 40.911 42.059 -0.788 0.000 0.893 338 L HN 0.409 nan 8.230 nan 0.000 0.432 339 D N -0.962 119.316 120.400 -0.204 0.000 2.144 339 D HA -0.259 4.382 4.640 0.001 0.000 0.200 339 D C 2.054 178.413 176.300 0.099 0.000 0.978 339 D CA 0.921 54.948 54.000 0.044 0.000 0.833 339 D CB -0.053 40.774 40.800 0.045 0.000 0.961 339 D HN 0.311 nan 8.370 nan 0.000 0.470 340 Y N -0.111 120.163 120.300 -0.043 0.000 2.097 340 Y HA -0.240 4.310 4.550 0.001 0.000 0.282 340 Y C 1.779 177.582 175.900 -0.161 0.000 1.152 340 Y CA 1.736 59.760 58.100 -0.125 0.000 1.136 340 Y CB -0.664 37.656 38.460 -0.234 0.000 0.975 340 Y HN -0.021 nan 8.280 nan 0.000 0.498 341 F N 0.577 120.380 119.950 -0.245 0.000 2.134 341 F HA -0.248 4.279 4.527 0.001 0.000 0.299 341 F C 2.807 178.541 175.800 -0.109 0.000 1.097 341 F CA 2.064 59.830 58.000 -0.390 0.000 1.264 341 F CB -0.809 37.733 39.000 -0.764 0.000 1.001 341 F HN 0.142 nan 8.300 nan 0.000 0.479 342 Q N 1.085 121.109 119.800 0.373 0.000 2.061 342 Q HA -0.227 4.114 4.340 0.001 0.000 0.204 342 Q C 2.063 178.132 176.000 0.115 0.000 0.984 342 Q CA 1.793 57.824 55.803 0.380 0.000 0.846 342 Q CB -0.201 28.846 28.738 0.516 0.000 0.902 342 Q HN 0.401 nan 8.270 nan 0.000 0.421 343 K N 0.058 120.457 120.400 -0.002 0.000 2.103 343 K HA -0.127 4.193 4.320 0.001 0.000 0.204 343 K C 1.832 178.327 176.600 -0.176 0.000 1.052 343 K CA 1.209 57.451 56.287 -0.074 0.000 0.945 343 K CB -0.063 32.391 32.500 -0.077 0.000 0.722 343 K HN 0.136 nan 8.250 nan 0.000 0.443 344 D N 0.936 121.113 120.400 -0.372 0.000 2.097 344 D HA -0.151 4.490 4.640 0.001 0.000 0.195 344 D C 1.730 177.893 176.300 -0.228 0.000 0.989 344 D CA 0.651 54.381 54.000 -0.450 0.000 0.827 344 D CB 0.040 40.304 40.800 -0.893 0.000 0.966 344 D HN -0.035 nan 8.370 nan 0.000 0.456 345 L N 0.254 121.404 121.223 -0.122 0.000 2.017 345 L HA -0.123 4.217 4.340 0.001 0.000 0.208 345 L C 2.197 179.054 176.870 -0.021 0.000 1.073 345 L CA 1.860 56.685 54.840 -0.024 0.000 0.745 345 L CB -1.112 41.004 42.059 0.094 0.000 0.894 345 L HN 0.009 nan 8.230 nan 0.000 0.432 346 T N -0.077 114.468 114.554 -0.015 0.000 2.665 346 T HA -0.296 4.054 4.350 0.001 0.000 0.268 346 T C 1.972 176.653 174.700 -0.031 0.000 1.035 346 T CA 1.922 64.013 62.100 -0.015 0.000 1.151 346 T CB -0.372 68.490 68.868 -0.009 0.000 0.862 346 T HN 0.402 nan 8.240 nan 0.000 0.438 347 R N 0.648 121.115 120.500 -0.056 0.000 2.073 347 R HA -0.097 4.243 4.340 0.001 0.000 0.234 347 R C 2.369 178.642 176.300 -0.045 0.000 1.134 347 R CA 1.476 57.544 56.100 -0.054 0.000 0.952 347 R CB -0.647 29.606 30.300 -0.078 0.000 0.850 347 R HN 0.264 nan 8.270 nan 0.000 0.433 348 V N 1.540 121.420 119.914 -0.056 0.000 2.332 348 V HA -0.316 3.804 4.120 0.001 0.000 0.248 348 V C 2.518 178.604 176.094 -0.013 0.000 1.055 348 V CA 2.232 64.507 62.300 -0.041 0.000 1.038 348 V CB -0.421 31.368 31.823 -0.056 0.000 0.651 348 V HN 0.414 nan 8.190 nan 0.000 0.450 349 M N -0.790 118.805 119.600 -0.008 0.000 2.086 349 M HA -0.250 4.230 4.480 0.001 0.000 0.261 349 M C 2.385 178.688 176.300 0.005 0.000 1.067 349 M CA 2.174 57.477 55.300 0.005 0.000 1.116 349 M CB -0.453 32.151 32.600 0.007 0.000 1.348 349 M HN 0.314 nan 8.290 nan 0.000 0.407 350 Q N 0.909 120.707 119.800 -0.003 0.000 2.084 350 Q HA -0.104 4.237 4.340 0.001 0.000 0.202 350 Q C 1.657 177.658 176.000 0.002 0.000 0.978 350 Q CA 1.731 57.532 55.803 -0.002 0.000 0.844 350 Q CB -0.321 28.412 28.738 -0.009 0.000 0.898 350 Q HN 0.554 nan 8.270 nan 0.000 0.426 351 L N -0.367 120.856 121.223 -0.000 0.000 2.341 351 L HA 0.013 4.353 4.340 0.001 0.000 0.214 351 L C 1.982 178.866 176.870 0.023 0.000 1.115 351 L CA 1.354 56.197 54.840 0.006 0.000 0.820 351 L CB -0.424 41.632 42.059 -0.005 0.000 0.944 351 L HN 0.371 nan 8.230 nan 0.000 0.452 352 T N -3.866 110.705 114.554 0.029 0.000 3.107 352 T HA 0.210 4.561 4.350 0.001 0.000 0.249 352 T C 1.346 176.073 174.700 0.046 0.000 1.096 352 T CA 0.419 62.550 62.100 0.052 0.000 1.012 352 T CB 0.439 69.344 68.868 0.061 0.000 0.977 352 T HN 0.406 nan 8.240 nan 0.000 0.527 353 G N 0.972 109.790 108.800 0.029 0.000 2.160 353 G HA2 -0.210 3.750 3.960 0.001 0.000 0.244 353 G HA3 -0.210 3.750 3.960 0.001 0.000 0.244 353 G C -0.056 174.857 174.900 0.022 0.000 1.022 353 G CA -0.023 45.090 45.100 0.023 0.000 0.741 353 G HN 0.716 nan 8.290 nan 0.000 0.508 354 S N -0.294 115.420 115.700 0.023 0.000 2.422 354 S HA 0.477 4.948 4.470 0.001 0.000 0.308 354 S C 0.876 175.485 174.600 0.015 0.000 1.097 354 S CA -0.201 58.012 58.200 0.022 0.000 1.099 354 S CB 1.839 65.056 63.200 0.029 0.000 0.976 354 S HN 0.418 nan 8.310 nan 0.000 0.471 355 Q N 3.174 122.982 119.800 0.012 0.000 2.212 355 Q HA 0.031 4.371 4.340 0.001 0.000 0.199 355 Q C 0.270 176.274 176.000 0.006 0.000 0.950 355 Q CA 1.430 57.237 55.803 0.007 0.000 0.863 355 Q CB 0.154 28.895 28.738 0.006 0.000 0.944 355 Q HN 0.850 nan 8.270 nan 0.000 0.465 356 N N -3.688 115.018 118.700 0.009 0.000 2.972 356 N HA 0.166 4.906 4.740 0.001 0.000 0.262 356 N C -0.030 175.488 175.510 0.013 0.000 1.478 356 N CA -0.179 52.875 53.050 0.007 0.000 0.841 356 N CB 0.401 38.891 38.487 0.005 0.000 1.512 356 N HN -0.214 nan 8.380 nan 0.000 0.548 357 V N 0.096 120.017 119.914 0.011 0.000 2.407 357 V HA -0.147 3.973 4.120 0.001 0.000 0.248 357 V C 1.850 177.960 176.094 0.028 0.000 1.055 357 V CA 1.721 64.033 62.300 0.019 0.000 1.049 357 V CB -0.737 31.093 31.823 0.012 0.000 0.662 357 V HN 0.637 nan 8.190 nan 0.000 0.455 358 E N -0.108 120.107 120.200 0.024 0.000 2.110 358 E HA -0.204 4.146 4.350 0.001 0.000 0.193 358 E C 1.963 178.581 176.600 0.031 0.000 0.988 358 E CA 1.165 57.581 56.400 0.028 0.000 0.804 358 E CB -0.405 29.309 29.700 0.022 0.000 0.745 358 E HN 0.586 nan 8.360 nan 0.000 0.458 359 D N 0.734 121.151 120.400 0.028 0.000 2.123 359 D HA -0.137 4.503 4.640 0.001 0.000 0.196 359 D C 2.161 178.486 176.300 0.041 0.000 0.992 359 D CA 0.650 54.668 54.000 0.030 0.000 0.833 359 D CB -0.292 40.523 40.800 0.025 0.000 0.954 359 D HN 0.157 nan 8.370 nan 0.000 0.455 360 L N 0.384 121.634 121.223 0.044 0.000 2.083 360 L HA -0.164 4.177 4.340 0.001 0.000 0.209 360 L C 2.212 179.122 176.870 0.067 0.000 1.083 360 L CA 1.171 56.044 54.840 0.056 0.000 0.752 360 L CB -0.185 41.906 42.059 0.054 0.000 0.899 360 L HN -0.004 nan 8.230 nan 0.000 0.433 361 K N -0.447 119.989 120.400 0.060 0.000 2.362 361 K HA -0.056 4.264 4.320 0.001 0.000 0.200 361 K C 1.713 178.350 176.600 0.062 0.000 1.046 361 K CA 0.962 57.288 56.287 0.064 0.000 0.952 361 K CB -0.173 32.360 32.500 0.056 0.000 0.753 361 K HN 0.360 nan 8.250 nan 0.000 0.466 362 G N 0.356 109.190 108.800 0.056 0.000 3.126 362 G HA2 0.055 4.015 3.960 0.001 0.000 0.224 362 G HA3 0.055 4.015 3.960 0.001 0.000 0.224 362 G C 0.028 174.965 174.900 0.063 0.000 1.142 362 G CA -0.349 44.783 45.100 0.052 0.000 0.759 362 G HN -0.035 nan 8.290 nan 0.000 0.550 363 L N 1.884 123.155 121.223 0.081 0.000 2.490 363 L HA 0.234 4.575 4.340 0.001 0.000 0.274 363 L C -0.194 176.754 176.870 0.131 0.000 1.201 363 L CA -0.555 54.347 54.840 0.104 0.000 0.869 363 L CB 0.620 42.752 42.059 0.121 0.000 1.123 363 L HN 0.037 nan 8.230 nan 0.000 0.484 364 D N 2.820 123.308 120.400 0.147 0.000 2.382 364 D HA 0.311 4.952 4.640 0.001 0.000 0.245 364 D C -0.332 176.177 176.300 0.349 0.000 1.120 364 D CA -0.076 54.046 54.000 0.203 0.000 0.890 364 D CB 0.888 41.768 40.800 0.134 0.000 1.201 364 D HN 0.060 nan 8.370 nan 0.000 0.433 365 L N 1.777 123.196 121.223 0.326 0.000 2.346 365 L HA 0.400 4.740 4.340 0.001 0.000 0.274 365 L C -0.447 176.614 176.870 0.318 0.000 1.007 365 L CA -0.974 54.051 54.840 0.309 0.000 0.818 365 L CB 1.069 43.271 42.059 0.238 0.000 1.284 365 L HN 0.294 nan 8.230 nan 0.000 0.424 366 F N 2.022 121.943 119.950 -0.049 0.000 2.438 366 F HA 0.257 4.784 4.527 0.001 0.000 0.356 366 F C 0.504 176.321 175.800 0.028 0.000 1.099 366 F CA -0.381 57.555 58.000 -0.108 0.000 1.185 366 F CB 0.676 39.369 39.000 -0.511 0.000 1.115 366 F HN 0.577 nan 8.300 nan 0.000 0.526 367 D N 5.249 125.390 120.400 -0.431 0.000 2.312 367 D HA 0.070 4.710 4.640 0.001 0.000 0.252 367 D C -0.621 175.501 176.300 -0.296 0.000 1.150 367 D CA -0.023 53.827 54.000 -0.250 0.000 0.870 367 D CB 0.391 41.062 40.800 -0.216 0.000 1.153 367 D HN 0.656 nan 8.370 nan 0.000 0.457 368 N N 4.824 123.566 118.700 0.070 0.000 2.707 368 N HA 0.193 4.933 4.740 0.001 0.000 0.235 368 N C -1.893 173.639 175.510 0.037 0.000 1.028 368 N CA -1.787 51.398 53.050 0.225 0.000 0.906 368 N CB 1.318 40.086 38.487 0.468 0.000 1.131 368 N HN 0.306 nan 8.380 nan 0.000 0.509 369 P HA -0.048 nan 4.420 nan 0.000 0.233 369 P C -0.345 176.761 177.300 -0.322 0.000 1.167 369 P CA 0.600 63.525 63.100 -0.293 0.000 0.770 369 P CB 0.078 31.527 31.700 -0.418 0.000 0.837 370 Y N 0.374 120.635 120.300 -0.065 0.000 2.298 370 Y HA 0.420 4.970 4.550 0.001 0.000 0.329 370 Y C 2.126 178.054 175.900 0.048 0.000 1.293 370 Y CA -0.321 57.742 58.100 -0.062 0.000 1.388 370 Y CB 0.034 38.361 38.460 -0.222 0.000 1.309 370 Y HN -0.110 nan 8.280 nan 0.000 0.544 371 G N -0.311 108.649 108.800 0.266 0.000 2.468 371 G HA2 -0.155 3.806 3.960 0.001 0.000 0.264 371 G HA3 -0.155 3.806 3.960 0.001 0.000 0.264 371 G C 0.504 175.634 174.900 0.385 0.000 1.460 371 G CA -0.175 45.098 45.100 0.287 0.000 1.060 371 G HN 0.839 nan 8.290 nan 0.000 0.543 372 Y N 0.091 120.548 120.300 0.261 0.000 2.256 372 Y HA -0.122 4.429 4.550 0.001 0.000 0.288 372 Y C 2.792 178.810 175.900 0.197 0.000 1.155 372 Y CA 2.307 60.533 58.100 0.209 0.000 1.203 372 Y CB 0.316 38.855 38.460 0.133 0.000 0.980 372 Y HN 0.374 nan 8.280 nan 0.000 0.530 373 E N -0.809 119.544 120.200 0.254 0.000 2.427 373 E HA -0.135 4.215 4.350 0.001 0.000 0.196 373 E C -0.205 176.506 176.600 0.185 0.000 1.028 373 E CA 0.635 57.137 56.400 0.170 0.000 0.864 373 E CB -0.372 29.438 29.700 0.184 0.000 0.813 373 E HN 0.470 nan 8.360 nan 0.000 0.514 374 Y N 0.000 120.326 120.300 0.043 0.000 2.660 374 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 374 Y CA 0.000 58.089 58.100 -0.018 0.000 1.940 374 Y CB 0.000 38.408 38.460 -0.087 0.000 1.050 374 Y HN 0.000 nan 8.280 nan 0.000 0.758