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 2q6v_1_A DATA FIRST_RESID 14 DATA SEQUENCE RPCYLVLSSH DFRTPRRANI HFITDQLALR GTTRFFSLRY SRLSRMKGDM DATA SEQUENCE RLPLDDTANT VVSHNGVDCY LWRTTVHPFN TRRSWLRPVE DAMFRWYAAH DATA SEQUENCE PPKQLLDWMR ESDVIVFESG IAVAFIELAK RVNPAAKLVY RASDGLSTIN DATA SEQUENCE VASYIEREFD RVAPTLDVIA LVSPAMAAEV VSRDNVFHVG HGVDHNLDQL DATA SEQUENCE GDPSPYAEGI HAVAVGSMLF DPEFFVVASK AFPQVTFHVI GSGMGRHPGY DATA SEQUENCE GDNVIVYGEM KHAQTIGYIK HARFGIAPYA SEQVPVYLAD SSMKLLQYDF DATA SEQUENCE FGLPAVCPNA VVGPYKSRFG YTPGNADSVI AAITQALEAP RVRYRQCLNW DATA SEQUENCE SDTTDRVLDP RAYPETRLYP 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 14 R HA 0.000 nan 4.340 nan 0.000 0.208 14 R C 0.000 176.256 176.300 -0.074 0.000 0.893 14 R CA 0.000 56.051 56.100 -0.082 0.000 0.921 14 R CB 0.000 30.255 30.300 -0.075 0.000 0.687 15 P HA -0.166 nan 4.420 nan 0.000 0.265 15 P C -0.048 176.942 177.300 -0.517 0.000 1.132 15 P CA 0.493 63.392 63.100 -0.336 0.000 0.752 15 P CB 0.405 31.881 31.700 -0.374 0.000 0.728 16 C N 5.195 124.186 119.300 -0.515 0.000 2.295 16 C HA 0.518 4.979 4.460 0.001 0.000 0.331 16 C C -0.553 174.081 174.990 -0.594 0.000 1.280 16 C CA -0.510 58.248 59.018 -0.433 0.000 1.746 16 C CB -1.110 26.477 27.740 -0.255 0.000 2.328 16 C HN 0.475 nan 8.230 nan 0.000 0.521 17 Y N 5.010 125.200 120.300 -0.183 0.000 2.409 17 Y HA 0.692 5.242 4.550 0.001 0.000 0.339 17 Y C -0.067 175.666 175.900 -0.277 0.000 1.033 17 Y CA -0.858 57.122 58.100 -0.201 0.000 1.094 17 Y CB 1.436 39.784 38.460 -0.186 0.000 1.210 17 Y HN 0.639 nan 8.280 nan 0.000 0.456 18 L N 3.356 124.504 121.223 -0.124 0.000 2.385 18 L HA 0.806 5.147 4.340 0.001 0.000 0.273 18 L C -1.596 175.108 176.870 -0.277 0.000 0.990 18 L CA -0.762 53.938 54.840 -0.232 0.000 0.821 18 L CB 1.685 43.609 42.059 -0.225 0.000 1.279 18 L HN 0.420 nan 8.230 nan 0.000 0.412 19 V N 5.894 125.597 119.914 -0.353 0.000 2.459 19 V HA 0.531 4.652 4.120 0.001 0.000 0.295 19 V C -0.549 175.222 176.094 -0.539 0.000 1.029 19 V CA -0.510 61.475 62.300 -0.525 0.000 0.874 19 V CB 1.564 32.928 31.823 -0.764 0.000 0.985 19 V HN 0.565 nan 8.190 nan 0.000 0.438 20 L N 4.181 125.145 121.223 -0.431 0.000 2.313 20 L HA 0.820 5.160 4.340 0.001 0.000 0.283 20 L C -0.010 176.791 176.870 -0.115 0.000 1.013 20 L CA 0.494 55.222 54.840 -0.185 0.000 0.816 20 L CB 1.761 43.789 42.059 -0.051 0.000 1.236 20 L HN 0.773 nan 8.230 nan 0.000 0.419 21 S N 0.561 116.257 115.700 -0.007 0.000 2.567 21 S HA 0.322 4.792 4.470 0.001 0.000 0.270 21 S C 0.338 175.093 174.600 0.258 0.000 1.152 21 S CA -0.230 58.039 58.200 0.115 0.000 0.835 21 S CB 1.724 64.954 63.200 0.051 0.000 1.115 21 S HN 0.463 nan 8.310 nan 0.000 0.459 22 S N 0.971 116.813 115.700 0.236 0.000 2.527 22 S HA 0.155 4.625 4.470 0.001 0.000 0.222 22 S C 0.609 175.270 174.600 0.102 0.000 0.985 22 S CA 0.209 58.508 58.200 0.165 0.000 0.921 22 S CB -0.411 62.842 63.200 0.089 0.000 0.772 22 S HN 0.697 nan 8.310 nan 0.000 0.529 23 H N 1.678 120.908 119.070 0.266 0.000 2.679 23 H HA 0.167 4.723 4.556 0.001 0.000 0.369 23 H C -0.215 175.287 175.328 0.291 0.000 1.178 23 H CA 0.375 56.582 56.048 0.265 0.000 1.419 23 H CB 0.423 30.356 29.762 0.286 0.000 1.458 23 H HN 0.344 nan 8.280 nan 0.000 0.605 24 D N 0.739 121.273 120.400 0.223 0.000 2.248 24 D HA -0.026 4.615 4.640 0.001 0.000 0.246 24 D C 0.495 176.661 176.300 -0.224 0.000 1.027 24 D CA -0.565 53.447 54.000 0.019 0.000 0.853 24 D CB 1.316 42.083 40.800 -0.056 0.000 1.243 24 D HN 0.289 nan 8.370 nan 0.000 0.462 25 F N 3.284 122.696 119.950 -0.897 0.000 2.269 25 F HA -0.010 4.518 4.527 0.001 0.000 0.301 25 F C 2.023 177.686 175.800 -0.229 0.000 1.082 25 F CA 1.112 58.597 58.000 -0.857 0.000 1.360 25 F CB 0.150 38.589 39.000 -0.934 0.000 1.041 25 F HN 0.369 nan 8.300 nan 0.000 0.512 26 R N -0.266 120.040 120.500 -0.322 0.000 2.299 26 R HA 0.021 4.362 4.340 0.001 0.000 0.197 26 R C 0.775 176.823 176.300 -0.420 0.000 0.971 26 R CA 0.716 56.487 56.100 -0.548 0.000 1.030 26 R CB -0.648 29.337 30.300 -0.524 0.000 0.932 26 R HN 0.287 nan 8.270 nan 0.000 0.477 27 T N -0.302 114.086 114.554 -0.277 0.000 2.928 27 T HA 0.063 4.413 4.350 0.001 0.000 0.305 27 T C -1.415 173.092 174.700 -0.323 0.000 1.035 27 T CA -1.437 60.522 62.100 -0.234 0.000 1.145 27 T CB 1.085 69.886 68.868 -0.112 0.000 0.963 27 T HN -0.056 nan 8.240 nan 0.000 0.545 28 P HA -0.061 nan 4.420 nan 0.000 0.219 28 P C 0.607 177.754 177.300 -0.254 0.000 1.150 28 P CA 0.723 63.687 63.100 -0.227 0.000 0.814 28 P CB 0.157 31.768 31.700 -0.148 0.000 0.787 29 R N 1.464 121.829 120.500 -0.224 0.000 2.351 29 R HA 0.138 4.478 4.340 0.001 0.000 0.321 29 R C -0.124 175.918 176.300 -0.430 0.000 1.182 29 R CA -0.197 55.778 56.100 -0.208 0.000 1.011 29 R CB -0.122 30.126 30.300 -0.087 0.000 1.048 29 R HN 0.074 nan 8.270 nan 0.000 0.490 30 R N 2.523 122.697 120.500 -0.543 0.000 2.298 30 R HA 0.283 4.623 4.340 0.001 0.000 0.310 30 R C -0.197 175.830 176.300 -0.454 0.000 1.068 30 R CA -0.215 55.331 56.100 -0.924 0.000 0.957 30 R CB 1.551 31.260 30.300 -0.985 0.000 1.003 30 R HN 0.537 nan 8.270 nan 0.000 0.454 31 A N 1.966 124.586 122.820 -0.334 0.000 2.263 31 A HA 0.161 4.481 4.320 0.001 0.000 0.318 31 A C 1.142 178.788 177.584 0.103 0.000 1.111 31 A CA -0.705 51.316 52.037 -0.027 0.000 0.901 31 A CB 0.468 19.355 19.000 -0.188 0.000 1.280 31 A HN 0.955 nan 8.150 nan 0.000 0.503 32 N N -0.416 118.354 118.700 0.116 0.000 2.091 32 N HA -0.233 4.508 4.740 0.001 0.000 0.193 32 N C 1.367 176.885 175.510 0.014 0.000 1.021 32 N CA 2.255 55.392 53.050 0.145 0.000 0.862 32 N CB -0.329 38.282 38.487 0.205 0.000 1.018 32 N HN 0.490 nan 8.380 nan 0.000 0.429 33 I N 1.670 122.248 120.570 0.014 0.000 2.361 33 I HA -0.183 3.988 4.170 0.001 0.000 0.251 33 I C 1.797 177.882 176.117 -0.053 0.000 1.133 33 I CA 1.219 62.511 61.300 -0.013 0.000 1.413 33 I CB -0.525 37.487 38.000 0.020 0.000 1.073 33 I HN 0.150 nan 8.210 nan 0.000 0.424 34 H N -0.874 118.121 119.070 -0.125 0.000 2.319 34 H HA -0.147 4.410 4.556 0.001 0.000 0.299 34 H C 1.915 177.027 175.328 -0.360 0.000 1.092 34 H CA 2.445 58.380 56.048 -0.188 0.000 1.302 34 H CB -0.581 28.847 29.762 -0.558 0.000 1.373 34 H HN 0.291 nan 8.280 nan 0.000 0.497 35 F N 0.013 119.694 119.950 -0.449 0.000 2.186 35 F HA -0.079 4.448 4.527 0.001 0.000 0.299 35 F C 2.308 177.662 175.800 -0.742 0.000 1.090 35 F CA 0.845 58.277 58.000 -0.947 0.000 1.307 35 F CB -0.452 37.227 39.000 -2.203 0.000 1.019 35 F HN 0.105 nan 8.300 nan 0.000 0.489 36 I N -0.627 119.720 120.570 -0.371 0.000 2.226 36 I HA -0.283 3.887 4.170 0.001 0.000 0.245 36 I C 2.229 178.261 176.117 -0.143 0.000 1.100 36 I CA 1.593 62.818 61.300 -0.126 0.000 1.374 36 I CB -0.857 37.131 38.000 -0.020 0.000 1.057 36 I HN 0.103 nan 8.210 nan 0.000 0.413 37 T N 0.034 114.514 114.554 -0.123 0.000 2.788 37 T HA -0.165 4.185 4.350 0.001 0.000 0.268 37 T C 1.466 176.045 174.700 -0.202 0.000 1.044 37 T CA 1.375 63.367 62.100 -0.180 0.000 1.139 37 T CB -0.324 68.449 68.868 -0.158 0.000 0.867 37 T HN 0.298 nan 8.240 nan 0.000 0.454 38 D N 1.151 121.504 120.400 -0.078 0.000 2.123 38 D HA -0.098 4.543 4.640 0.001 0.000 0.196 38 D C 2.446 178.697 176.300 -0.081 0.000 0.992 38 D CA 0.951 54.925 54.000 -0.043 0.000 0.833 38 D CB -0.203 40.580 40.800 -0.028 0.000 0.954 38 D HN 0.303 nan 8.370 nan 0.000 0.455 39 Q N 0.104 119.850 119.800 -0.091 0.000 2.079 39 Q HA -0.029 4.311 4.340 0.001 0.000 0.200 39 Q C 2.685 178.576 176.000 -0.181 0.000 0.974 39 Q CA 0.472 56.224 55.803 -0.085 0.000 0.840 39 Q CB -0.396 28.325 28.738 -0.027 0.000 0.898 39 Q HN 0.403 nan 8.270 nan 0.000 0.430 40 L N 0.138 121.178 121.223 -0.305 0.000 2.046 40 L HA -0.138 4.202 4.340 0.001 0.000 0.208 40 L C 2.402 179.103 176.870 -0.282 0.000 1.077 40 L CA 1.139 55.653 54.840 -0.543 0.000 0.747 40 L CB -0.767 40.863 42.059 -0.714 0.000 0.896 40 L HN 0.101 nan 8.230 nan 0.000 0.432 41 A N -0.071 122.627 122.820 -0.202 0.000 2.070 41 A HA -0.119 4.202 4.320 0.001 0.000 0.220 41 A C 2.219 179.762 177.584 -0.068 0.000 1.159 41 A CA 1.271 53.233 52.037 -0.126 0.000 0.656 41 A CB -0.567 18.345 19.000 -0.146 0.000 0.800 41 A HN 0.410 nan 8.150 nan 0.000 0.453 42 L N -1.927 119.255 121.223 -0.069 0.000 2.341 42 L HA 0.018 4.358 4.340 0.001 0.000 0.214 42 L C 2.538 179.401 176.870 -0.011 0.000 1.115 42 L CA 0.667 55.485 54.840 -0.037 0.000 0.820 42 L CB -0.133 41.902 42.059 -0.039 0.000 0.944 42 L HN 0.295 nan 8.230 nan 0.000 0.452 43 R N -0.654 119.849 120.500 0.005 0.000 2.265 43 R HA 0.289 4.629 4.340 0.001 0.000 0.194 43 R C 0.509 176.904 176.300 0.159 0.000 0.931 43 R CA 0.402 56.552 56.100 0.084 0.000 1.032 43 R CB 0.776 31.134 30.300 0.097 0.000 0.980 43 R HN 0.307 nan 8.270 nan 0.000 0.497 44 G N -0.886 108.007 108.800 0.154 0.000 2.322 44 G HA2 0.018 3.978 3.960 0.001 0.000 0.295 44 G HA3 0.018 3.978 3.960 0.001 0.000 0.295 44 G C -1.133 173.808 174.900 0.069 0.000 1.369 44 G CA -0.955 44.210 45.100 0.107 0.000 0.821 44 G HN -0.119 nan 8.290 nan 0.000 0.536 45 T N 1.568 116.112 114.554 -0.016 0.000 2.871 45 T HA 0.469 4.819 4.350 0.001 0.000 0.296 45 T C 0.010 174.665 174.700 -0.075 0.000 0.998 45 T CA 0.789 62.846 62.100 -0.071 0.000 1.162 45 T CB 0.408 69.210 68.868 -0.111 0.000 0.947 45 T HN 0.589 nan 8.240 nan 0.000 0.536 46 T N 5.688 120.162 114.554 -0.134 0.000 2.879 46 T HA 0.504 4.854 4.350 0.001 0.000 0.290 46 T C -0.394 174.107 174.700 -0.331 0.000 0.993 46 T CA -1.079 60.921 62.100 -0.167 0.000 0.975 46 T CB 1.055 69.826 68.868 -0.162 0.000 0.981 46 T HN 0.324 nan 8.240 nan 0.000 0.439 47 R N 2.046 122.282 120.500 -0.440 0.000 2.711 47 R HA 0.595 4.935 4.340 0.001 0.000 0.284 47 R C -1.418 174.703 176.300 -0.299 0.000 0.968 47 R CA -1.033 54.667 56.100 -0.666 0.000 0.924 47 R CB 1.495 30.870 30.300 -1.541 0.000 1.162 47 R HN 0.698 nan 8.270 nan 0.000 0.465 48 F N 2.083 121.890 119.950 -0.238 0.000 2.577 48 F HA 0.392 4.920 4.527 0.001 0.000 0.344 48 F C -1.293 174.653 175.800 0.243 0.000 1.145 48 F CA -1.048 56.925 58.000 -0.044 0.000 0.996 48 F CB 1.010 39.919 39.000 -0.152 0.000 1.248 48 F HN 0.459 nan 8.300 nan 0.000 0.447 49 F N 5.209 125.285 119.950 0.210 0.000 2.385 49 F HA 0.439 4.967 4.527 0.001 0.000 0.360 49 F C -0.093 175.873 175.800 0.277 0.000 1.122 49 F CA -0.277 57.920 58.000 0.329 0.000 1.090 49 F CB 1.053 40.160 39.000 0.178 0.000 1.150 49 F HN 0.291 nan 8.300 nan 0.000 0.472 50 S N 7.058 122.821 115.700 0.105 0.000 2.438 50 S HA 0.660 5.130 4.470 0.001 0.000 0.293 50 S C -0.525 174.189 174.600 0.189 0.000 1.141 50 S CA -0.558 57.772 58.200 0.218 0.000 1.080 50 S CB 0.218 63.527 63.200 0.182 0.000 0.978 50 S HN 0.671 nan 8.310 nan 0.000 0.479 51 L N 3.991 125.412 121.223 0.330 0.000 2.298 51 L HA 0.662 5.003 4.340 0.001 0.000 0.268 51 L C 1.063 178.123 176.870 0.317 0.000 1.010 51 L CA -1.154 53.965 54.840 0.464 0.000 0.812 51 L CB 0.623 43.015 42.059 0.554 0.000 1.331 51 L HN 0.820 nan 8.230 nan 0.000 0.450 52 R N 0.236 120.918 120.500 0.303 0.000 3.532 52 R HA -0.236 4.105 4.340 0.001 0.000 0.284 52 R C -1.560 174.563 176.300 -0.295 0.000 1.140 52 R CA 0.376 56.416 56.100 -0.100 0.000 0.768 52 R CB -1.251 29.010 30.300 -0.065 0.000 1.252 52 R HN 0.522 nan 8.270 nan 0.000 0.454 53 Y N -0.011 120.168 120.300 -0.202 0.000 2.391 53 Y HA 0.580 5.130 4.550 0.001 0.000 0.341 53 Y C -0.304 175.541 175.900 -0.092 0.000 0.965 53 Y CA 0.281 58.285 58.100 -0.160 0.000 1.067 53 Y CB 1.615 40.030 38.460 -0.074 0.000 1.199 53 Y HN 0.249 nan 8.280 nan 0.000 0.450 54 S N 4.515 119.882 115.700 -0.555 0.000 2.776 54 S HA 0.522 4.993 4.470 0.001 0.000 0.292 54 S C 0.300 174.620 174.600 -0.466 0.000 1.187 54 S CA -1.092 56.907 58.200 -0.335 0.000 0.834 54 S CB 1.824 64.983 63.200 -0.068 0.000 1.199 54 S HN 0.750 nan 8.310 nan 0.000 0.514 55 R N -0.168 120.177 120.500 -0.258 0.000 2.120 55 R HA 0.064 4.404 4.340 0.001 0.000 0.234 55 R C 1.870 178.051 176.300 -0.198 0.000 1.123 55 R CA 1.320 57.298 56.100 -0.203 0.000 0.975 55 R CB -0.897 29.332 30.300 -0.118 0.000 0.866 55 R HN 0.556 nan 8.270 nan 0.000 0.446 56 L N 0.484 121.588 121.223 -0.198 0.000 2.127 56 L HA -0.170 4.170 4.340 0.001 0.000 0.211 56 L C 2.175 178.936 176.870 -0.182 0.000 1.089 56 L CA 1.022 55.736 54.840 -0.208 0.000 0.757 56 L CB -0.352 41.514 42.059 -0.321 0.000 0.899 56 L HN 0.165 nan 8.230 nan 0.000 0.434 57 S N -0.454 115.130 115.700 -0.193 0.000 2.440 57 S HA -0.167 4.304 4.470 0.001 0.000 0.238 57 S C 1.937 176.456 174.600 -0.135 0.000 1.010 57 S CA 1.030 59.120 58.200 -0.183 0.000 0.972 57 S CB -0.197 62.752 63.200 -0.419 0.000 0.774 57 S HN 0.413 nan 8.310 nan 0.000 0.501 58 R N 0.076 120.489 120.500 -0.144 0.000 2.115 58 R HA 0.011 4.351 4.340 0.001 0.000 0.230 58 R C 1.978 178.234 176.300 -0.072 0.000 1.111 58 R CA 0.955 57.006 56.100 -0.082 0.000 0.976 58 R CB -0.291 29.963 30.300 -0.076 0.000 0.870 58 R HN 0.350 nan 8.270 nan 0.000 0.445 59 M N 1.245 120.788 119.600 -0.095 0.000 2.126 59 M HA -0.093 4.387 4.480 0.001 0.000 0.259 59 M C 1.025 177.280 176.300 -0.074 0.000 1.073 59 M CA 1.625 56.871 55.300 -0.089 0.000 1.103 59 M CB -0.825 31.703 32.600 -0.120 0.000 1.284 59 M HN -0.061 nan 8.290 nan 0.000 0.420 60 K N -0.695 119.652 120.400 -0.088 0.000 2.140 60 K HA 0.370 4.690 4.320 0.001 0.000 0.237 60 K C 0.606 177.183 176.600 -0.039 0.000 1.045 60 K CA 0.131 56.382 56.287 -0.060 0.000 0.896 60 K CB -0.023 32.434 32.500 -0.071 0.000 1.122 60 K HN 0.381 nan 8.250 nan 0.000 0.503 61 G N 1.204 109.994 108.800 -0.017 0.000 4.829 61 G HA2 -0.007 3.954 3.960 0.001 0.000 0.320 61 G HA3 -0.007 3.954 3.960 0.001 0.000 0.320 61 G C -0.506 174.403 174.900 0.016 0.000 1.445 61 G CA -0.309 44.790 45.100 -0.002 0.000 1.151 61 G HN 0.500 nan 8.290 nan 0.000 0.572 62 D N 1.862 122.279 120.400 0.028 0.000 2.586 62 D HA -0.103 4.538 4.640 0.001 0.000 0.234 62 D C 1.977 178.315 176.300 0.064 0.000 1.132 62 D CA 0.102 54.141 54.000 0.065 0.000 0.860 62 D CB 0.736 41.624 40.800 0.146 0.000 1.159 62 D HN 0.461 nan 8.370 nan 0.000 0.490 63 M N 3.531 123.153 119.600 0.037 0.000 2.539 63 M HA -0.125 4.356 4.480 0.001 0.000 0.261 63 M C 1.025 177.318 176.300 -0.011 0.000 1.069 63 M CA 1.229 56.536 55.300 0.012 0.000 1.081 63 M CB 0.140 32.745 32.600 0.008 0.000 1.412 63 M HN 0.165 nan 8.290 nan 0.000 0.482 64 R N 0.363 120.860 120.500 -0.005 0.000 2.317 64 R HA 0.285 4.625 4.340 0.001 0.000 0.208 64 R C 1.766 178.001 176.300 -0.108 0.000 0.914 64 R CA 0.050 56.080 56.100 -0.116 0.000 1.060 64 R CB -0.125 30.014 30.300 -0.268 0.000 1.015 64 R HN 0.437 nan 8.270 nan 0.000 0.498 65 L N 0.992 122.248 121.223 0.055 0.000 2.081 65 L HA -0.151 4.189 4.340 0.001 0.000 0.212 65 L C -0.708 176.169 176.870 0.011 0.000 1.080 65 L CA 1.463 56.362 54.840 0.098 0.000 0.754 65 L CB -1.240 40.877 42.059 0.097 0.000 0.893 65 L HN 0.068 nan 8.230 nan 0.000 0.433 66 P HA -0.169 nan 4.420 nan 0.000 0.220 66 P C 1.455 178.708 177.300 -0.077 0.000 1.144 66 P CA 1.320 64.389 63.100 -0.052 0.000 0.800 66 P CB 0.041 31.701 31.700 -0.067 0.000 0.772 67 L N -1.761 119.392 121.223 -0.117 0.000 2.592 67 L HA 0.072 4.412 4.340 0.001 0.000 0.227 67 L C 1.795 178.579 176.870 -0.143 0.000 1.127 67 L CA 0.246 54.991 54.840 -0.157 0.000 0.884 67 L CB -0.556 41.365 42.059 -0.230 0.000 1.065 67 L HN -0.082 nan 8.230 nan 0.000 0.457 68 D N 0.838 121.197 120.400 -0.070 0.000 2.149 68 D HA -0.226 4.414 4.640 0.001 0.000 0.198 68 D C 1.540 177.840 176.300 -0.001 0.000 0.990 68 D CA 1.259 55.270 54.000 0.018 0.000 0.839 68 D CB 0.243 41.114 40.800 0.119 0.000 0.948 68 D HN 0.184 nan 8.370 nan 0.000 0.460 69 D N -1.071 119.316 120.400 -0.022 0.000 2.371 69 D HA -0.069 4.571 4.640 0.001 0.000 0.221 69 D C 1.638 177.911 176.300 -0.044 0.000 0.986 69 D CA 1.060 55.046 54.000 -0.024 0.000 0.899 69 D CB -0.044 40.743 40.800 -0.021 0.000 0.902 69 D HN 0.404 nan 8.370 nan 0.000 0.530 70 T N -2.512 111.997 114.554 -0.075 0.000 3.069 70 T HA 0.392 4.742 4.350 0.001 0.000 0.252 70 T C 0.899 175.506 174.700 -0.154 0.000 1.053 70 T CA -0.270 61.770 62.100 -0.099 0.000 0.964 70 T CB 0.252 69.055 68.868 -0.108 0.000 1.005 70 T HN 0.020 nan 8.240 nan 0.000 0.532 71 A N 2.300 125.039 122.820 -0.136 0.000 2.561 71 A HA 0.355 4.675 4.320 0.001 0.000 0.234 71 A C 0.916 178.349 177.584 -0.252 0.000 1.055 71 A CA 0.045 51.977 52.037 -0.174 0.000 0.756 71 A CB -0.499 18.503 19.000 0.004 0.000 0.986 71 A HN 0.591 nan 8.150 nan 0.000 0.505 72 N N -0.995 117.383 118.700 -0.537 0.000 2.782 72 N HA -0.158 4.582 4.740 0.001 0.000 0.251 72 N C 0.099 175.315 175.510 -0.490 0.000 1.101 72 N CA 1.768 54.459 53.050 -0.599 0.000 0.764 72 N CB -2.041 36.447 38.487 0.002 0.000 1.122 72 N HN 1.384 nan 8.380 nan 0.000 0.561 73 T N -4.342 109.861 114.554 -0.584 0.000 2.896 73 T HA 0.638 4.988 4.350 0.001 0.000 0.297 73 T C -0.203 174.446 174.700 -0.085 0.000 1.108 73 T CA -0.765 61.236 62.100 -0.165 0.000 1.004 73 T CB 2.550 71.378 68.868 -0.067 0.000 1.159 73 T HN -0.121 nan 8.240 nan 0.000 0.499 74 V N 2.190 122.203 119.914 0.165 0.000 2.461 74 V HA 0.505 4.625 4.120 0.001 0.000 0.275 74 V C -0.095 176.110 176.094 0.185 0.000 1.047 74 V CA -0.383 62.092 62.300 0.291 0.000 0.955 74 V CB 0.963 33.001 31.823 0.358 0.000 0.988 74 V HN 0.817 nan 8.190 nan 0.000 0.471 75 V N 4.027 124.054 119.914 0.189 0.000 2.604 75 V HA 0.416 4.537 4.120 0.001 0.000 0.305 75 V C 0.188 176.386 176.094 0.172 0.000 1.043 75 V CA -0.449 61.930 62.300 0.131 0.000 0.888 75 V CB 2.182 34.041 31.823 0.059 0.000 0.995 75 V HN 0.846 nan 8.190 nan 0.000 0.429 76 S N 2.795 118.583 115.700 0.146 0.000 2.513 76 S HA 0.511 4.981 4.470 0.001 0.000 0.276 76 S C -0.810 173.916 174.600 0.210 0.000 1.254 76 S CA -0.119 58.170 58.200 0.149 0.000 1.053 76 S CB 0.002 63.262 63.200 0.100 0.000 0.958 76 S HN 0.888 nan 8.310 nan 0.000 0.491 77 H N 3.984 123.119 119.070 0.108 0.000 3.181 77 H HA 0.356 4.912 4.556 0.001 0.000 0.331 77 H C -0.345 175.102 175.328 0.198 0.000 0.988 77 H CA -0.288 55.832 56.048 0.120 0.000 1.449 77 H CB 0.087 29.922 29.762 0.120 0.000 1.749 77 H HN 0.757 nan 8.280 nan 0.000 0.501 78 N N 3.918 122.449 118.700 -0.281 0.000 2.725 78 N HA -0.178 4.562 4.740 0.001 0.000 0.251 78 N C 1.070 176.561 175.510 -0.031 0.000 1.031 78 N CA 1.826 54.757 53.050 -0.198 0.000 0.720 78 N CB -1.316 36.980 38.487 -0.318 0.000 0.930 78 N HN 1.221 nan 8.380 nan 0.000 0.543 79 G N -3.189 105.599 108.800 -0.020 0.000 2.179 79 G HA2 -0.308 3.653 3.960 0.001 0.000 0.260 79 G HA3 -0.308 3.653 3.960 0.001 0.000 0.260 79 G C -0.003 174.862 174.900 -0.058 0.000 0.977 79 G CA 0.392 45.474 45.100 -0.029 0.000 0.641 79 G HN 0.537 nan 8.290 nan 0.000 0.533 80 V N 1.343 121.230 119.914 -0.045 0.000 2.513 80 V HA 0.463 4.583 4.120 0.001 0.000 0.299 80 V C -0.390 175.684 176.094 -0.033 0.000 1.035 80 V CA -1.126 61.078 62.300 -0.161 0.000 0.889 80 V CB 1.853 33.348 31.823 -0.548 0.000 0.988 80 V HN 0.217 nan 8.190 nan 0.000 0.440 81 D N 3.038 123.378 120.400 -0.100 0.000 2.325 81 D HA 0.314 4.955 4.640 0.001 0.000 0.251 81 D C -0.416 175.961 176.300 0.128 0.000 1.196 81 D CA 0.081 54.093 54.000 0.020 0.000 0.866 81 D CB 1.227 41.973 40.800 -0.091 0.000 1.101 81 D HN 0.500 nan 8.370 nan 0.000 0.476 82 C N 2.776 122.274 119.300 0.330 0.000 2.435 82 C HA 0.547 5.007 4.460 0.001 0.000 0.333 82 C C -0.342 174.957 174.990 0.515 0.000 1.202 82 C CA -0.855 58.398 59.018 0.392 0.000 1.830 82 C CB 0.288 28.179 27.740 0.252 0.000 2.326 82 C HN 0.620 nan 8.230 nan 0.000 0.507 83 Y N 2.063 122.537 120.300 0.290 0.000 2.362 83 Y HA 0.563 5.113 4.550 0.001 0.000 0.326 83 Y C -1.032 174.756 175.900 -0.187 0.000 1.083 83 Y CA -0.805 57.309 58.100 0.023 0.000 1.073 83 Y CB 0.860 39.264 38.460 -0.094 0.000 1.211 83 Y HN 0.635 nan 8.280 nan 0.000 0.433 84 L N 7.543 128.588 121.223 -0.296 0.000 2.259 84 L HA 0.345 4.685 4.340 0.001 0.000 0.288 84 L C -1.233 175.487 176.870 -0.251 0.000 1.051 84 L CA -0.479 54.198 54.840 -0.271 0.000 0.824 84 L CB -0.028 41.822 42.059 -0.348 0.000 1.206 84 L HN 0.695 nan 8.230 nan 0.000 0.429 85 W N 7.033 128.164 121.300 -0.282 0.000 2.356 85 W HA 0.344 5.004 4.660 0.001 0.000 0.311 85 W C -0.194 176.433 176.519 0.179 0.000 1.328 85 W CA -0.669 56.664 57.345 -0.020 0.000 1.251 85 W CB 0.240 29.728 29.460 0.047 0.000 1.280 85 W HN 0.570 nan 8.180 nan 0.000 0.524 86 R N 5.450 126.104 120.500 0.256 0.000 2.360 86 R HA 0.369 4.709 4.340 0.001 0.000 0.318 86 R C 0.024 176.293 176.300 -0.052 0.000 0.950 86 R CA -0.172 56.014 56.100 0.143 0.000 0.837 86 R CB 0.880 31.346 30.300 0.278 0.000 1.165 86 R HN 0.559 nan 8.270 nan 0.000 0.458 87 T N 0.101 114.519 114.554 -0.227 0.000 2.884 87 T HA 0.223 4.574 4.350 0.001 0.000 0.277 87 T C 1.206 175.864 174.700 -0.069 0.000 0.976 87 T CA -0.585 61.440 62.100 -0.125 0.000 0.956 87 T CB 1.424 70.200 68.868 -0.153 0.000 1.113 87 T HN 0.422 nan 8.240 nan 0.000 0.554 88 T N 0.448 114.987 114.554 -0.025 0.000 2.701 88 T HA 0.107 4.458 4.350 0.001 0.000 0.263 88 T C 1.036 175.678 174.700 -0.097 0.000 1.040 88 T CA 1.249 63.320 62.100 -0.049 0.000 1.147 88 T CB -0.421 68.434 68.868 -0.022 0.000 0.865 88 T HN 0.838 nan 8.240 nan 0.000 0.426 89 V N 0.757 120.614 119.914 -0.095 0.000 2.914 89 V HA 0.803 4.924 4.120 0.001 0.000 0.314 89 V C -0.945 175.042 176.094 -0.177 0.000 1.084 89 V CA -1.462 60.733 62.300 -0.174 0.000 0.963 89 V CB 1.647 33.368 31.823 -0.169 0.000 1.025 89 V HN 0.632 nan 8.190 nan 0.000 0.432 90 H N 1.690 120.617 119.070 -0.238 0.000 2.621 90 H HA 0.895 5.451 4.556 0.001 0.000 0.360 90 H C -2.923 172.173 175.328 -0.387 0.000 1.163 90 H CA -2.684 53.093 56.048 -0.451 0.000 1.194 90 H CB 1.797 31.284 29.762 -0.458 0.000 1.649 90 H HN 0.598 nan 8.280 nan 0.000 0.532 91 P HA 0.201 nan 4.420 nan 0.000 0.278 91 P C -1.126 175.885 177.300 -0.482 0.000 1.238 91 P CA -0.214 62.328 63.100 -0.930 0.000 0.794 91 P CB 0.750 31.304 31.700 -1.910 0.000 0.955 92 F N -1.239 118.466 119.950 -0.409 0.000 2.741 92 F HA 0.500 5.027 4.527 0.001 0.000 0.313 92 F C -0.793 175.120 175.800 0.188 0.000 1.153 92 F CA -1.454 56.581 58.000 0.057 0.000 0.931 92 F CB 0.686 39.696 39.000 0.016 0.000 1.335 92 F HN 0.037 nan 8.300 nan 0.000 0.460 93 N N 1.247 120.138 118.700 0.317 0.000 2.416 93 N HA 0.138 4.879 4.740 0.001 0.000 0.265 93 N C 0.937 176.522 175.510 0.125 0.000 1.195 93 N CA 0.622 53.766 53.050 0.156 0.000 0.943 93 N CB 1.316 39.911 38.487 0.180 0.000 1.115 93 N HN 0.867 nan 8.380 nan 0.000 0.481 94 T N 1.013 115.484 114.554 -0.139 0.000 3.023 94 T HA -0.003 4.348 4.350 0.001 0.000 0.266 94 T C 0.658 175.361 174.700 0.005 0.000 1.093 94 T CA 0.374 62.418 62.100 -0.092 0.000 1.129 94 T CB -0.102 68.570 68.868 -0.328 0.000 0.899 94 T HN 0.745 nan 8.240 nan 0.000 0.491 95 R N 0.409 120.905 120.500 -0.006 0.000 3.872 95 R HA -0.096 4.245 4.340 0.001 0.000 0.341 95 R C -0.957 175.342 176.300 -0.002 0.000 1.172 95 R CA 0.434 56.548 56.100 0.023 0.000 0.901 95 R CB -1.450 28.889 30.300 0.066 0.000 1.422 95 R HN 0.417 nan 8.270 nan 0.000 0.523 96 R N -0.322 120.125 120.500 -0.088 0.000 2.435 96 R HA 0.269 4.609 4.340 0.001 0.000 0.308 96 R C 0.577 176.779 176.300 -0.164 0.000 0.975 96 R CA -0.561 55.467 56.100 -0.121 0.000 0.867 96 R CB 1.754 31.852 30.300 -0.338 0.000 1.171 96 R HN -0.088 nan 8.270 nan 0.000 0.470 97 S N 2.042 117.744 115.700 0.004 0.000 2.440 97 S HA -0.105 4.365 4.470 0.001 0.000 0.238 97 S C 1.454 176.092 174.600 0.064 0.000 1.010 97 S CA 1.102 59.321 58.200 0.032 0.000 0.972 97 S CB -0.006 63.242 63.200 0.081 0.000 0.774 97 S HN 0.768 nan 8.310 nan 0.000 0.501 98 W N 0.691 121.995 121.300 0.007 0.000 2.584 98 W HA 0.188 4.849 4.660 0.001 0.000 0.264 98 W C 0.734 177.250 176.519 -0.005 0.000 1.264 98 W CA 0.198 57.544 57.345 0.002 0.000 1.306 98 W CB -0.672 28.789 29.460 0.002 0.000 1.110 98 W HN 0.197 nan 8.180 nan 0.000 0.606 99 L N 1.508 122.326 121.223 -0.675 0.000 2.612 99 L HA 0.104 4.444 4.340 0.001 0.000 0.230 99 L C 2.658 179.339 176.870 -0.315 0.000 1.140 99 L CA -0.050 54.377 54.840 -0.689 0.000 0.896 99 L CB -0.358 41.124 42.059 -0.962 0.000 1.065 99 L HN -0.194 nan 8.230 nan 0.000 0.447 100 R N 0.605 121.006 120.500 -0.165 0.000 2.081 100 R HA -0.124 4.216 4.340 0.001 0.000 0.235 100 R C -0.422 175.860 176.300 -0.029 0.000 1.131 100 R CA 1.358 57.415 56.100 -0.071 0.000 0.960 100 R CB -1.722 28.569 30.300 -0.015 0.000 0.856 100 R HN 0.340 nan 8.270 nan 0.000 0.436 101 P HA -0.101 nan 4.420 nan 0.000 0.220 101 P C 1.662 178.951 177.300 -0.017 0.000 1.148 101 P CA 0.795 63.901 63.100 0.011 0.000 0.803 101 P CB -0.076 31.640 31.700 0.027 0.000 0.782 102 V N -0.322 119.545 119.914 -0.078 0.000 2.488 102 V HA -0.174 3.947 4.120 0.001 0.000 0.246 102 V C 2.002 178.006 176.094 -0.149 0.000 1.046 102 V CA 1.723 63.949 62.300 -0.124 0.000 1.053 102 V CB -0.885 30.835 31.823 -0.171 0.000 0.679 102 V HN -0.008 nan 8.190 nan 0.000 0.458 103 E N 0.189 120.297 120.200 -0.154 0.000 2.033 103 E HA -0.273 4.077 4.350 0.001 0.000 0.199 103 E C 1.985 178.653 176.600 0.114 0.000 1.011 103 E CA 2.041 58.396 56.400 -0.074 0.000 0.815 103 E CB -0.237 29.460 29.700 -0.005 0.000 0.755 103 E HN 0.688 nan 8.360 nan 0.000 0.451 104 D N 0.131 120.606 120.400 0.125 0.000 2.149 104 D HA -0.180 4.461 4.640 0.001 0.000 0.198 104 D C 1.798 178.142 176.300 0.073 0.000 0.990 104 D CA 1.320 55.421 54.000 0.169 0.000 0.839 104 D CB -0.370 40.558 40.800 0.214 0.000 0.948 104 D HN 0.214 nan 8.370 nan 0.000 0.460 105 A N 0.777 123.623 122.820 0.043 0.000 1.877 105 A HA -0.159 4.162 4.320 0.001 0.000 0.216 105 A C 2.311 179.919 177.584 0.040 0.000 1.186 105 A CA 1.442 53.507 52.037 0.046 0.000 0.620 105 A CB -0.582 18.411 19.000 -0.011 0.000 0.822 105 A HN 0.137 nan 8.150 nan 0.000 0.443 106 M N -1.916 117.635 119.600 -0.081 0.000 2.117 106 M HA -0.115 4.365 4.480 0.001 0.000 0.262 106 M C 2.024 178.233 176.300 -0.151 0.000 1.065 106 M CA 1.571 56.780 55.300 -0.153 0.000 1.114 106 M CB -0.495 31.892 32.600 -0.354 0.000 1.361 106 M HN 0.449 nan 8.290 nan 0.000 0.408 107 F N 0.180 119.986 119.950 -0.240 0.000 2.102 107 F HA -0.154 4.374 4.527 0.001 0.000 0.298 107 F C 2.586 178.179 175.800 -0.346 0.000 1.105 107 F CA 1.502 59.223 58.000 -0.466 0.000 1.239 107 F CB -0.500 37.730 39.000 -1.285 0.000 0.991 107 F HN 0.007 nan 8.300 nan 0.000 0.474 108 R N -0.727 119.718 120.500 -0.091 0.000 2.091 108 R HA -0.242 4.098 4.340 0.001 0.000 0.238 108 R C 2.295 178.741 176.300 0.244 0.000 1.136 108 R CA 1.652 57.823 56.100 0.118 0.000 0.959 108 R CB -0.788 29.628 30.300 0.193 0.000 0.856 108 R HN 0.453 nan 8.270 nan 0.000 0.437 109 W N 0.284 121.654 121.300 0.116 0.000 2.355 109 W HA -0.263 4.397 4.660 0.001 0.000 0.309 109 W C 1.834 178.590 176.519 0.395 0.000 1.206 109 W CA 1.302 58.793 57.345 0.243 0.000 1.284 109 W CB -0.411 29.114 29.460 0.109 0.000 1.145 109 W HN 0.105 nan 8.180 nan 0.000 0.502 110 Y N 1.313 121.805 120.300 0.321 0.000 2.145 110 Y HA -0.185 4.366 4.550 0.001 0.000 0.286 110 Y C 2.577 178.725 175.900 0.413 0.000 1.145 110 Y CA 2.900 61.204 58.100 0.340 0.000 1.148 110 Y CB -1.024 37.557 38.460 0.202 0.000 0.981 110 Y HN -0.060 nan 8.280 nan 0.000 0.507 111 A N -0.094 122.845 122.820 0.199 0.000 1.969 111 A HA -0.005 4.315 4.320 0.001 0.000 0.218 111 A C 2.298 179.872 177.584 -0.018 0.000 1.169 111 A CA 1.517 53.469 52.037 -0.143 0.000 0.635 111 A CB -1.256 17.634 19.000 -0.184 0.000 0.810 111 A HN 0.526 nan 8.150 nan 0.000 0.445 112 A N -1.452 121.362 122.820 -0.011 0.000 2.167 112 A HA 0.068 4.388 4.320 0.001 0.000 0.214 112 A C 0.941 178.240 177.584 -0.475 0.000 1.151 112 A CA 0.932 52.832 52.037 -0.229 0.000 0.735 112 A CB -0.452 18.362 19.000 -0.310 0.000 0.802 112 A HN 0.606 nan 8.150 nan 0.000 0.467 113 H N -0.213 118.809 119.070 -0.080 0.000 2.534 113 H HA 0.248 4.805 4.556 0.001 0.000 0.250 113 H C -2.609 172.778 175.328 0.099 0.000 1.256 113 H CA -1.774 54.249 56.048 -0.040 0.000 1.000 113 H CB 0.075 29.773 29.762 -0.107 0.000 1.801 113 H HN 0.342 nan 8.280 nan 0.000 0.569 114 P HA 0.077 nan 4.420 nan 0.000 0.272 114 P C -2.562 174.498 177.300 -0.400 0.000 1.223 114 P CA -1.264 61.644 63.100 -0.321 0.000 0.784 114 P CB 1.119 32.667 31.700 -0.252 0.000 0.923 115 P HA 0.139 nan 4.420 nan 0.000 0.274 115 P C 0.916 177.956 177.300 -0.432 0.000 1.231 115 P CA -0.373 62.458 63.100 -0.448 0.000 0.790 115 P CB 1.084 32.461 31.700 -0.538 0.000 0.951 116 K N 1.101 121.332 120.400 -0.282 0.000 2.113 116 K HA -0.265 4.056 4.320 0.001 0.000 0.208 116 K C 1.906 178.269 176.600 -0.394 0.000 1.047 116 K CA 1.689 57.814 56.287 -0.271 0.000 0.928 116 K CB -0.109 32.286 32.500 -0.175 0.000 0.716 116 K HN 0.275 nan 8.250 nan 0.000 0.446 117 Q N 1.010 120.498 119.800 -0.520 0.000 2.096 117 Q HA -0.175 4.165 4.340 0.001 0.000 0.204 117 Q C 1.908 177.343 176.000 -0.941 0.000 0.982 117 Q CA 1.441 56.757 55.803 -0.812 0.000 0.850 117 Q CB -0.356 27.712 28.738 -1.117 0.000 0.901 117 Q HN 0.342 nan 8.270 nan 0.000 0.422 118 L N -0.480 120.180 121.223 -0.938 0.000 2.017 118 L HA -0.103 4.237 4.340 0.001 0.000 0.208 118 L C 1.972 178.518 176.870 -0.539 0.000 1.073 118 L CA 1.667 55.893 54.840 -1.023 0.000 0.745 118 L CB -0.628 40.549 42.059 -1.470 0.000 0.894 118 L HN 0.362 nan 8.230 nan 0.000 0.432 119 L N -0.729 120.235 121.223 -0.433 0.000 2.017 119 L HA -0.223 4.117 4.340 0.001 0.000 0.208 119 L C 2.299 179.066 176.870 -0.171 0.000 1.073 119 L CA 1.421 56.111 54.840 -0.249 0.000 0.745 119 L CB -1.017 40.916 42.059 -0.210 0.000 0.894 119 L HN 0.268 nan 8.230 nan 0.000 0.432 120 D N -0.640 119.642 120.400 -0.196 0.000 2.097 120 D HA -0.200 4.441 4.640 0.001 0.000 0.195 120 D C 1.997 178.333 176.300 0.059 0.000 0.989 120 D CA 1.149 55.095 54.000 -0.091 0.000 0.827 120 D CB -0.271 40.447 40.800 -0.138 0.000 0.966 120 D HN 0.309 nan 8.370 nan 0.000 0.456 121 W N 1.006 122.185 121.300 -0.203 0.000 2.363 121 W HA 0.024 4.684 4.660 0.001 0.000 0.296 121 W C 2.456 178.864 176.519 -0.184 0.000 1.212 121 W CA 0.341 57.576 57.345 -0.183 0.000 1.260 121 W CB -1.017 28.319 29.460 -0.207 0.000 1.131 121 W HN 0.038 nan 8.180 nan 0.000 0.530 122 M N -0.558 119.056 119.600 0.022 0.000 2.080 122 M HA -0.248 4.233 4.480 0.001 0.000 0.260 122 M C 2.292 178.577 176.300 -0.026 0.000 1.068 122 M CA 1.879 57.156 55.300 -0.039 0.000 1.109 122 M CB -0.731 31.832 32.600 -0.062 0.000 1.342 122 M HN -0.120 nan 8.290 nan 0.000 0.405 123 R N 0.533 121.020 120.500 -0.021 0.000 2.105 123 R HA -0.172 4.169 4.340 0.001 0.000 0.239 123 R C 1.602 177.888 176.300 -0.023 0.000 1.135 123 R CA 1.665 57.752 56.100 -0.022 0.000 0.967 123 R CB -0.068 30.217 30.300 -0.025 0.000 0.861 123 R HN 0.458 nan 8.270 nan 0.000 0.442 124 E N -0.253 119.942 120.200 -0.009 0.000 2.427 124 E HA 0.020 4.371 4.350 0.001 0.000 0.196 124 E C -0.117 176.432 176.600 -0.084 0.000 1.028 124 E CA 0.046 56.428 56.400 -0.030 0.000 0.864 124 E CB 0.421 30.125 29.700 0.007 0.000 0.813 124 E HN 0.134 nan 8.360 nan 0.000 0.514 125 S N 0.817 116.461 115.700 -0.094 0.000 2.586 125 S HA 0.073 4.544 4.470 0.001 0.000 0.274 125 S C 0.387 174.902 174.600 -0.142 0.000 1.281 125 S CA -0.611 57.501 58.200 -0.148 0.000 1.035 125 S CB 1.057 64.173 63.200 -0.141 0.000 0.962 125 S HN 0.123 nan 8.310 nan 0.000 0.512 126 D N 0.578 120.852 120.400 -0.211 0.000 2.338 126 D HA 0.120 4.760 4.640 0.001 0.000 0.208 126 D C -0.166 176.045 176.300 -0.148 0.000 0.997 126 D CA 0.850 54.741 54.000 -0.182 0.000 0.880 126 D CB 0.510 41.163 40.800 -0.246 0.000 0.980 126 D HN 0.215 nan 8.370 nan 0.000 0.509 127 V N 1.949 121.750 119.914 -0.188 0.000 2.623 127 V HA 0.371 4.492 4.120 0.001 0.000 0.304 127 V C -0.450 175.615 176.094 -0.049 0.000 1.054 127 V CA -0.698 61.565 62.300 -0.062 0.000 0.882 127 V CB 2.642 34.485 31.823 0.034 0.000 1.002 127 V HN -0.098 nan 8.190 nan 0.000 0.424 128 I N 4.540 125.085 120.570 -0.041 0.000 2.406 128 I HA 0.544 4.714 4.170 0.001 0.000 0.290 128 I C -0.650 175.316 176.117 -0.251 0.000 0.999 128 I CA -0.948 60.222 61.300 -0.216 0.000 1.124 128 I CB 2.110 39.932 38.000 -0.297 0.000 1.289 128 I HN 0.274 nan 8.210 nan 0.000 0.441 129 V N 6.698 126.410 119.914 -0.336 0.000 2.370 129 V HA 0.397 4.517 4.120 0.001 0.000 0.283 129 V C -0.544 175.313 176.094 -0.396 0.000 1.023 129 V CA -0.458 61.718 62.300 -0.208 0.000 0.857 129 V CB 1.146 32.889 31.823 -0.134 0.000 0.985 129 V HN 0.375 nan 8.190 nan 0.000 0.443 130 F N 2.535 122.507 119.950 0.037 0.000 2.411 130 F HA 0.463 4.990 4.527 0.001 0.000 0.352 130 F C 0.530 176.246 175.800 -0.140 0.000 1.123 130 F CA -0.504 57.524 58.000 0.047 0.000 1.044 130 F CB 1.266 40.413 39.000 0.244 0.000 1.135 130 F HN 0.478 nan 8.300 nan 0.000 0.461 131 E N 1.845 122.049 120.200 0.006 0.000 2.343 131 E HA 0.249 4.600 4.350 0.001 0.000 0.269 131 E C -0.296 176.177 176.600 -0.212 0.000 1.047 131 E CA -0.641 55.680 56.400 -0.132 0.000 0.874 131 E CB 0.939 30.641 29.700 0.004 0.000 1.033 131 E HN 0.686 nan 8.360 nan 0.000 0.409 132 S N 2.104 117.529 115.700 -0.457 0.000 2.593 132 S HA 0.345 4.815 4.470 0.001 0.000 0.300 132 S C 0.639 175.263 174.600 0.039 0.000 1.267 132 S CA -0.004 58.053 58.200 -0.238 0.000 1.065 132 S CB 0.467 63.574 63.200 -0.154 0.000 0.807 132 S HN 0.945 nan 8.310 nan 0.000 0.499 133 G N 2.160 111.038 108.800 0.129 0.000 2.255 133 G HA2 -0.044 3.916 3.960 0.001 0.000 0.216 133 G HA3 -0.044 3.916 3.960 0.001 0.000 0.216 133 G C 0.182 175.249 174.900 0.279 0.000 1.307 133 G CA -0.247 44.963 45.100 0.184 0.000 1.162 133 G HN 1.135 nan 8.290 nan 0.000 0.494 134 I N 1.770 122.549 120.570 0.348 0.000 2.315 134 I HA -0.011 4.160 4.170 0.001 0.000 0.251 134 I C 2.971 179.471 176.117 0.638 0.000 1.125 134 I CA 2.970 64.576 61.300 0.510 0.000 1.392 134 I CB -0.571 37.743 38.000 0.525 0.000 1.065 134 I HN 1.171 nan 8.210 nan 0.000 0.424 135 A N -0.605 122.556 122.820 0.568 0.000 2.076 135 A HA -0.157 4.163 4.320 0.001 0.000 0.220 135 A C 2.370 180.359 177.584 0.674 0.000 1.160 135 A CA 1.729 54.184 52.037 0.696 0.000 0.653 135 A CB -1.177 18.157 19.000 0.557 0.000 0.801 135 A HN 0.335 nan 8.150 nan 0.000 0.455 136 V N -0.255 119.943 119.914 0.474 0.000 2.380 136 V HA -0.313 3.807 4.120 0.001 0.000 0.251 136 V C 2.896 179.128 176.094 0.229 0.000 1.063 136 V CA 1.890 64.377 62.300 0.311 0.000 1.055 136 V CB -1.048 30.924 31.823 0.248 0.000 0.657 136 V HN 0.630 nan 8.190 nan 0.000 0.455 137 A N -1.569 121.435 122.820 0.306 0.000 2.216 137 A HA -0.043 4.277 4.320 0.001 0.000 0.214 137 A C 1.654 179.032 177.584 -0.342 0.000 1.160 137 A CA 1.250 53.335 52.037 0.080 0.000 0.725 137 A CB -0.511 18.579 19.000 0.151 0.000 0.784 137 A HN 0.571 nan 8.150 nan 0.000 0.472 138 F N -1.805 118.311 119.950 0.277 0.000 2.706 138 F HA 0.330 4.857 4.527 0.001 0.000 0.313 138 F C 1.506 177.411 175.800 0.174 0.000 1.096 138 F CA -0.468 57.681 58.000 0.249 0.000 1.219 138 F CB 0.006 39.198 39.000 0.321 0.000 1.051 138 F HN 0.073 nan 8.300 nan 0.000 0.568 139 I N 0.111 120.661 120.570 -0.033 0.000 2.179 139 I HA -0.246 3.924 4.170 0.001 0.000 0.242 139 I C 2.625 178.686 176.117 -0.093 0.000 1.088 139 I CA 1.449 62.505 61.300 -0.406 0.000 1.357 139 I CB -0.145 37.513 38.000 -0.570 0.000 1.051 139 I HN 0.042 nan 8.210 nan 0.000 0.409 140 E N 1.291 121.458 120.200 -0.054 0.000 2.058 140 E HA -0.249 4.101 4.350 0.001 0.000 0.194 140 E C 2.004 178.617 176.600 0.022 0.000 0.997 140 E CA 1.394 57.779 56.400 -0.025 0.000 0.801 140 E CB -0.421 29.259 29.700 -0.034 0.000 0.746 140 E HN 0.310 nan 8.360 nan 0.000 0.450 141 L N 0.418 121.676 121.223 0.058 0.000 1.989 141 L HA -0.150 4.191 4.340 0.001 0.000 0.211 141 L C 2.251 179.184 176.870 0.103 0.000 1.071 141 L CA 2.536 57.425 54.840 0.082 0.000 0.749 141 L CB -1.171 40.975 42.059 0.144 0.000 0.890 141 L HN 0.182 nan 8.230 nan 0.000 0.431 142 A N -0.504 122.432 122.820 0.193 0.000 1.917 142 A HA -0.330 3.991 4.320 0.001 0.000 0.219 142 A C 2.375 180.034 177.584 0.126 0.000 1.182 142 A CA 2.331 54.496 52.037 0.214 0.000 0.633 142 A CB -0.742 18.549 19.000 0.484 0.000 0.819 142 A HN 0.501 nan 8.150 nan 0.000 0.448 143 K N -0.049 120.409 120.400 0.097 0.000 2.097 143 K HA -0.064 4.257 4.320 0.001 0.000 0.205 143 K C 2.069 178.686 176.600 0.028 0.000 1.050 143 K CA 1.546 57.865 56.287 0.053 0.000 0.938 143 K CB -0.258 32.257 32.500 0.025 0.000 0.718 143 K HN 0.503 nan 8.250 nan 0.000 0.442 144 R N -0.410 120.103 120.500 0.022 0.000 2.090 144 R HA -0.002 4.338 4.340 0.001 0.000 0.228 144 R C 2.119 178.419 176.300 0.000 0.000 1.110 144 R CA 1.288 57.391 56.100 0.004 0.000 0.973 144 R CB -0.202 30.096 30.300 -0.004 0.000 0.869 144 R HN 0.028 nan 8.270 nan 0.000 0.440 145 V N 0.820 120.738 119.914 0.007 0.000 2.591 145 V HA -0.070 4.051 4.120 0.001 0.000 0.249 145 V C 0.539 176.630 176.094 -0.005 0.000 1.053 145 V CA 0.992 63.287 62.300 -0.008 0.000 1.068 145 V CB -0.328 31.485 31.823 -0.016 0.000 0.689 145 V HN 0.306 nan 8.190 nan 0.000 0.462 146 N N -0.250 118.457 118.700 0.011 0.000 2.751 146 N HA 0.188 4.928 4.740 0.001 0.000 0.238 146 N C -2.148 173.374 175.510 0.020 0.000 1.351 146 N CA -1.279 51.776 53.050 0.007 0.000 0.751 146 N CB 1.513 40.000 38.487 0.001 0.000 1.342 146 N HN 0.029 nan 8.380 nan 0.000 0.540 147 P HA -0.019 nan 4.420 nan 0.000 0.226 147 P C 0.893 178.202 177.300 0.016 0.000 1.153 147 P CA 0.571 63.681 63.100 0.017 0.000 0.777 147 P CB 0.392 32.096 31.700 0.006 0.000 0.794 148 A N 0.261 123.084 122.820 0.007 0.000 2.016 148 A HA 0.278 4.599 4.320 0.001 0.000 0.217 148 A C 1.500 179.086 177.584 0.004 0.000 1.162 148 A CA 0.529 52.567 52.037 0.001 0.000 0.662 148 A CB -1.069 17.924 19.000 -0.011 0.000 0.812 148 A HN 0.280 nan 8.150 nan 0.000 0.450 149 A N 0.422 123.248 122.820 0.010 0.000 2.511 149 A HA 0.340 4.660 4.320 0.001 0.000 0.242 149 A C 0.446 178.057 177.584 0.046 0.000 1.069 149 A CA -0.080 51.964 52.037 0.012 0.000 0.763 149 A CB -0.139 18.872 19.000 0.018 0.000 1.001 149 A HN 0.442 nan 8.150 nan 0.000 0.498 150 K N 2.666 123.090 120.400 0.040 0.000 2.383 150 K HA 0.347 4.667 4.320 0.001 0.000 0.286 150 K C -0.967 175.714 176.600 0.136 0.000 1.051 150 K CA 0.050 56.384 56.287 0.079 0.000 0.974 150 K CB 0.049 32.587 32.500 0.063 0.000 0.968 150 K HN 0.643 nan 8.250 nan 0.000 0.475 151 L N 5.433 126.772 121.223 0.193 0.000 2.265 151 L HA 0.369 4.710 4.340 0.001 0.000 0.289 151 L C -0.839 176.237 176.870 0.343 0.000 1.033 151 L CA -1.096 53.949 54.840 0.341 0.000 0.814 151 L CB 1.549 43.813 42.059 0.342 0.000 1.203 151 L HN 0.356 nan 8.230 nan 0.000 0.423 152 V N 3.660 123.815 119.914 0.401 0.000 2.407 152 V HA 0.239 4.359 4.120 0.001 0.000 0.291 152 V C -0.848 175.529 176.094 0.472 0.000 1.018 152 V CA -0.670 61.837 62.300 0.345 0.000 0.842 152 V CB 1.736 33.683 31.823 0.207 0.000 0.996 152 V HN 0.452 nan 8.190 nan 0.000 0.426 153 Y N 5.538 126.038 120.300 0.332 0.000 2.350 153 Y HA 0.553 5.103 4.550 0.001 0.000 0.340 153 Y C 0.411 176.447 175.900 0.227 0.000 1.006 153 Y CA -0.395 57.896 58.100 0.318 0.000 1.166 153 Y CB 0.683 39.335 38.460 0.321 0.000 1.168 153 Y HN 0.499 nan 8.280 nan 0.000 0.502 154 R N 5.347 125.729 120.500 -0.197 0.000 2.215 154 R HA 0.485 4.825 4.340 0.001 0.000 0.337 154 R C -1.144 174.937 176.300 -0.366 0.000 1.010 154 R CA -0.368 55.647 56.100 -0.143 0.000 0.871 154 R CB 0.566 30.843 30.300 -0.037 0.000 1.134 154 R HN 0.830 nan 8.270 nan 0.000 0.477 155 A N 3.586 126.305 122.820 -0.169 0.000 2.807 155 A HA 0.192 4.513 4.320 0.001 0.000 0.307 155 A C 0.891 178.422 177.584 -0.088 0.000 1.532 155 A CA -0.178 51.783 52.037 -0.126 0.000 1.215 155 A CB 0.126 19.195 19.000 0.116 0.000 1.127 155 A HN 0.802 nan 8.150 nan 0.000 0.543 156 S N 0.988 116.657 115.700 -0.051 0.000 2.406 156 S HA -0.005 4.465 4.470 0.001 0.000 0.228 156 S C 0.526 175.142 174.600 0.027 0.000 1.020 156 S CA 0.822 59.069 58.200 0.078 0.000 0.965 156 S CB 0.014 63.316 63.200 0.170 0.000 0.798 156 S HN 0.787 nan 8.310 nan 0.000 0.488 157 D N -0.743 119.638 120.400 -0.032 0.000 2.596 157 D HA 0.398 5.039 4.640 0.001 0.000 0.234 157 D C -0.215 176.030 176.300 -0.091 0.000 1.181 157 D CA -0.416 53.566 54.000 -0.029 0.000 0.856 157 D CB 1.891 42.799 40.800 0.179 0.000 1.498 157 D HN 0.199 nan 8.370 nan 0.000 0.446 158 G N 0.695 109.462 108.800 -0.054 0.000 2.441 158 G HA2 0.221 4.181 3.960 0.001 0.000 0.243 158 G HA3 0.221 4.181 3.960 0.001 0.000 0.243 158 G C 1.391 176.371 174.900 0.133 0.000 1.281 158 G CA -0.271 44.891 45.100 0.103 0.000 0.854 158 G HN 0.441 nan 8.290 nan 0.000 0.560 159 L N 2.076 123.345 121.223 0.076 0.000 2.042 159 L HA -0.192 4.149 4.340 0.001 0.000 0.210 159 L C 3.174 180.102 176.870 0.096 0.000 1.076 159 L CA 1.938 56.817 54.840 0.065 0.000 0.749 159 L CB -0.396 41.676 42.059 0.022 0.000 0.893 159 L HN 0.721 nan 8.230 nan 0.000 0.432 160 S N -2.043 113.721 115.700 0.107 0.000 2.428 160 S HA -0.130 4.340 4.470 0.001 0.000 0.230 160 S C 1.871 176.532 174.600 0.102 0.000 1.014 160 S CA 1.336 59.593 58.200 0.095 0.000 0.957 160 S CB -0.504 62.749 63.200 0.088 0.000 0.784 160 S HN 0.333 nan 8.310 nan 0.000 0.499 161 T N 3.634 118.270 114.554 0.137 0.000 2.812 161 T HA 0.123 4.473 4.350 0.001 0.000 0.264 161 T C 1.726 176.496 174.700 0.117 0.000 1.042 161 T CA 1.463 63.637 62.100 0.124 0.000 1.140 161 T CB -0.537 68.447 68.868 0.193 0.000 0.870 161 T HN 0.737 nan 8.240 nan 0.000 0.445 162 I N -0.571 120.083 120.570 0.139 0.000 3.564 162 I HA 0.247 4.418 4.170 0.001 0.000 0.294 162 I C 0.479 176.666 176.117 0.117 0.000 1.289 162 I CA 0.091 61.468 61.300 0.127 0.000 1.325 162 I CB -0.632 37.451 38.000 0.138 0.000 1.039 162 I HN 0.093 nan 8.210 nan 0.000 0.474 163 N N 1.831 120.595 118.700 0.106 0.000 2.756 163 N HA -0.150 4.591 4.740 0.001 0.000 0.248 163 N C -0.031 175.546 175.510 0.111 0.000 1.062 163 N CA 0.827 53.936 53.050 0.098 0.000 0.696 163 N CB -1.636 36.906 38.487 0.092 0.000 0.946 163 N HN 0.556 nan 8.380 nan 0.000 0.548 164 V N -2.056 117.922 119.914 0.107 0.000 3.139 164 V HA 0.650 4.771 4.120 0.001 0.000 0.307 164 V C 1.355 177.494 176.094 0.074 0.000 1.095 164 V CA -0.519 61.848 62.300 0.112 0.000 1.160 164 V CB 0.568 32.442 31.823 0.085 0.000 1.003 164 V HN 0.561 nan 8.190 nan 0.000 0.489 165 A N 2.454 125.313 122.820 0.064 0.000 2.531 165 A HA 0.300 4.620 4.320 0.001 0.000 0.236 165 A C 1.796 179.334 177.584 -0.077 0.000 1.062 165 A CA 0.686 52.721 52.037 -0.003 0.000 0.760 165 A CB -0.042 18.938 19.000 -0.034 0.000 0.995 165 A HN 1.736 nan 8.150 nan 0.000 0.501 166 S N 1.476 117.158 115.700 -0.031 0.000 2.389 166 S HA -0.307 4.163 4.470 0.001 0.000 0.231 166 S C 1.716 176.269 174.600 -0.079 0.000 1.052 166 S CA 2.477 60.657 58.200 -0.033 0.000 1.053 166 S CB -0.770 62.427 63.200 -0.006 0.000 0.886 166 S HN 0.920 nan 8.310 nan 0.000 0.456 167 Y N 1.528 121.676 120.300 -0.254 0.000 2.114 167 Y HA -0.157 4.393 4.550 0.001 0.000 0.282 167 Y C 2.095 177.801 175.900 -0.323 0.000 1.165 167 Y CA 2.136 60.047 58.100 -0.315 0.000 1.148 167 Y CB -0.318 37.839 38.460 -0.506 0.000 0.972 167 Y HN 0.294 nan 8.280 nan 0.000 0.504 168 I N 0.605 121.022 120.570 -0.255 0.000 2.252 168 I HA -0.245 3.926 4.170 0.001 0.000 0.245 168 I C 2.205 178.278 176.117 -0.074 0.000 1.102 168 I CA 1.580 62.798 61.300 -0.137 0.000 1.385 168 I CB -1.250 36.704 38.000 -0.076 0.000 1.064 168 I HN 0.423 nan 8.210 nan 0.000 0.414 169 E N 0.529 120.693 120.200 -0.062 0.000 2.051 169 E HA -0.198 4.153 4.350 0.001 0.000 0.192 169 E C 2.350 178.933 176.600 -0.029 0.000 0.991 169 E CA 1.054 57.460 56.400 0.009 0.000 0.799 169 E CB -0.074 29.633 29.700 0.010 0.000 0.748 169 E HN 0.457 nan 8.360 nan 0.000 0.449 170 R N 0.634 121.056 120.500 -0.131 0.000 2.073 170 R HA -0.163 4.177 4.340 0.001 0.000 0.234 170 R C 2.393 178.553 176.300 -0.233 0.000 1.134 170 R CA 1.397 57.390 56.100 -0.179 0.000 0.952 170 R CB -0.254 29.919 30.300 -0.211 0.000 0.850 170 R HN 0.058 nan 8.270 nan 0.000 0.433 171 E N 0.769 120.760 120.200 -0.348 0.000 2.077 171 E HA -0.193 4.157 4.350 0.001 0.000 0.193 171 E C 1.585 178.097 176.600 -0.147 0.000 0.989 171 E CA 1.170 57.374 56.400 -0.326 0.000 0.800 171 E CB -0.300 29.122 29.700 -0.462 0.000 0.746 171 E HN 0.210 nan 8.360 nan 0.000 0.452 172 F N 1.499 121.316 119.950 -0.221 0.000 2.102 172 F HA -0.168 4.360 4.527 0.001 0.000 0.298 172 F C 1.634 177.305 175.800 -0.214 0.000 1.105 172 F CA 1.987 59.857 58.000 -0.217 0.000 1.239 172 F CB -0.489 38.397 39.000 -0.190 0.000 0.991 172 F HN 0.032 nan 8.300 nan 0.000 0.474 173 D N -0.108 120.121 120.400 -0.285 0.000 2.149 173 D HA -0.204 4.437 4.640 0.001 0.000 0.198 173 D C 2.416 178.522 176.300 -0.322 0.000 0.990 173 D CA 1.226 55.024 54.000 -0.337 0.000 0.839 173 D CB -0.481 40.212 40.800 -0.179 0.000 0.948 173 D HN 0.309 nan 8.370 nan 0.000 0.460 174 R N 0.603 120.949 120.500 -0.257 0.000 2.075 174 R HA -0.100 4.240 4.340 0.001 0.000 0.232 174 R C 2.065 178.226 176.300 -0.231 0.000 1.126 174 R CA 1.440 57.411 56.100 -0.215 0.000 0.963 174 R CB 0.090 30.278 30.300 -0.185 0.000 0.858 174 R HN 0.254 nan 8.270 nan 0.000 0.435 175 V N -3.026 116.726 119.914 -0.270 0.000 3.590 175 V HA 0.311 4.432 4.120 0.001 0.000 0.265 175 V C 2.034 177.933 176.094 -0.326 0.000 1.239 175 V CA 0.831 62.984 62.300 -0.245 0.000 1.117 175 V CB 0.088 31.796 31.823 -0.192 0.000 0.818 175 V HN 0.267 nan 8.190 nan 0.000 0.451 176 A N 1.629 124.123 122.820 -0.544 0.000 1.903 176 A HA -0.096 4.224 4.320 0.001 0.000 0.219 176 A C 0.639 178.012 177.584 -0.353 0.000 1.191 176 A CA 2.482 54.118 52.037 -0.668 0.000 0.638 176 A CB -2.019 16.329 19.000 -1.086 0.000 0.823 176 A HN 0.609 nan 8.150 nan 0.000 0.451 177 P HA -0.119 nan 4.420 nan 0.000 0.221 177 P C 1.420 178.648 177.300 -0.120 0.000 1.145 177 P CA 1.877 64.867 63.100 -0.185 0.000 0.795 177 P CB -0.249 31.350 31.700 -0.169 0.000 0.775 178 T N -4.746 109.736 114.554 -0.121 0.000 3.081 178 T HA 0.128 4.479 4.350 0.001 0.000 0.250 178 T C 0.659 175.342 174.700 -0.029 0.000 1.100 178 T CA -0.055 62.003 62.100 -0.069 0.000 1.038 178 T CB -0.774 68.049 68.868 -0.076 0.000 0.962 178 T HN -0.080 nan 8.240 nan 0.000 0.516 179 L N 2.317 123.521 121.223 -0.033 0.000 2.456 179 L HA 0.196 4.537 4.340 0.001 0.000 0.272 179 L C 1.337 178.268 176.870 0.102 0.000 1.189 179 L CA -0.242 54.629 54.840 0.051 0.000 0.846 179 L CB 0.549 42.654 42.059 0.076 0.000 1.111 179 L HN 0.141 nan 8.230 nan 0.000 0.475 180 D N 1.435 121.921 120.400 0.143 0.000 2.144 180 D HA -0.036 4.604 4.640 0.001 0.000 0.200 180 D C 0.024 176.466 176.300 0.238 0.000 0.978 180 D CA 1.356 55.450 54.000 0.158 0.000 0.833 180 D CB 0.444 41.324 40.800 0.133 0.000 0.961 180 D HN 0.172 nan 8.370 nan 0.000 0.470 181 V N 1.393 121.471 119.914 0.273 0.000 2.668 181 V HA 0.312 4.432 4.120 0.001 0.000 0.304 181 V C -0.450 175.883 176.094 0.399 0.000 1.071 181 V CA -0.617 61.905 62.300 0.369 0.000 0.894 181 V CB 2.674 34.637 31.823 0.235 0.000 1.008 181 V HN -0.091 nan 8.190 nan 0.000 0.425 182 I N 4.065 124.907 120.570 0.454 0.000 2.359 182 I HA 0.624 4.794 4.170 0.001 0.000 0.284 182 I C 0.423 176.814 176.117 0.457 0.000 1.018 182 I CA -0.421 61.149 61.300 0.450 0.000 1.173 182 I CB 1.617 39.813 38.000 0.327 0.000 1.326 182 I HN 0.704 nan 8.210 nan 0.000 0.462 183 A N 8.381 131.439 122.820 0.396 0.000 2.444 183 A HA 0.606 4.926 4.320 0.001 0.000 0.332 183 A C -0.253 177.472 177.584 0.235 0.000 1.430 183 A CA -0.451 51.769 52.037 0.304 0.000 0.975 183 A CB 0.030 19.153 19.000 0.205 0.000 1.147 183 A HN 0.686 nan 8.150 nan 0.000 0.524 184 L N 3.234 124.598 121.223 0.235 0.000 2.360 184 L HA 0.123 4.463 4.340 0.001 0.000 0.276 184 L C 1.445 178.389 176.870 0.124 0.000 1.121 184 L CA -0.604 54.322 54.840 0.143 0.000 0.845 184 L CB 1.186 43.312 42.059 0.112 0.000 1.143 184 L HN 0.501 nan 8.230 nan 0.000 0.452 185 V N 1.598 121.507 119.914 -0.008 0.000 2.469 185 V HA -0.182 3.938 4.120 0.001 0.000 0.251 185 V C 1.107 177.197 176.094 -0.006 0.000 1.064 185 V CA 1.614 63.859 62.300 -0.092 0.000 1.066 185 V CB -0.031 31.596 31.823 -0.326 0.000 0.667 185 V HN 0.837 nan 8.190 nan 0.000 0.461 186 S N -2.040 113.604 115.700 -0.093 0.000 2.547 186 S HA 0.456 4.926 4.470 0.001 0.000 0.281 186 S C -2.217 172.233 174.600 -0.251 0.000 1.118 186 S CA -1.167 56.920 58.200 -0.188 0.000 0.947 186 S CB 2.095 65.275 63.200 -0.033 0.000 1.053 186 S HN 0.003 nan 8.310 nan 0.000 0.482 187 P HA -0.020 nan 4.420 nan 0.000 0.219 187 P C 1.190 178.420 177.300 -0.117 0.000 1.146 187 P CA 1.285 64.221 63.100 -0.273 0.000 0.808 187 P CB 0.042 31.549 31.700 -0.322 0.000 0.779 188 A N -1.124 121.657 122.820 -0.065 0.000 2.125 188 A HA -0.149 4.172 4.320 0.001 0.000 0.219 188 A C 1.961 179.598 177.584 0.088 0.000 1.156 188 A CA 1.344 53.402 52.037 0.035 0.000 0.671 188 A CB -1.303 17.757 19.000 0.101 0.000 0.794 188 A HN 0.187 nan 8.150 nan 0.000 0.459 189 M N -0.980 118.638 119.600 0.031 0.000 2.506 189 M HA 0.064 4.544 4.480 0.001 0.000 0.260 189 M C 2.252 178.594 176.300 0.070 0.000 1.104 189 M CA 0.762 56.078 55.300 0.027 0.000 1.112 189 M CB -0.124 32.405 32.600 -0.118 0.000 1.401 189 M HN 0.414 nan 8.290 nan 0.000 0.473 190 A N 0.856 123.711 122.820 0.058 0.000 2.019 190 A HA -0.015 4.305 4.320 0.001 0.000 0.219 190 A C 2.406 180.064 177.584 0.123 0.000 1.164 190 A CA 1.730 53.830 52.037 0.105 0.000 0.644 190 A CB -0.690 18.351 19.000 0.069 0.000 0.805 190 A HN 0.477 nan 8.150 nan 0.000 0.449 191 A N -0.187 122.688 122.820 0.092 0.000 1.978 191 A HA -0.161 4.159 4.320 0.001 0.000 0.220 191 A C 1.725 179.357 177.584 0.079 0.000 1.170 191 A CA 1.605 53.691 52.037 0.082 0.000 0.636 191 A CB -0.340 18.699 19.000 0.064 0.000 0.810 191 A HN 0.627 nan 8.150 nan 0.000 0.448 192 E N -0.731 119.527 120.200 0.097 0.000 2.465 192 E HA 0.212 4.562 4.350 0.001 0.000 0.195 192 E C -0.950 175.726 176.600 0.125 0.000 1.028 192 E CA -0.311 56.149 56.400 0.100 0.000 0.899 192 E CB 0.639 30.409 29.700 0.115 0.000 1.032 192 E HN 0.280 nan 8.360 nan 0.000 0.468 193 V N 2.089 122.073 119.914 0.117 0.000 2.347 193 V HA 0.078 4.198 4.120 0.001 0.000 0.280 193 V C 0.392 176.457 176.094 -0.047 0.000 1.021 193 V CA -0.516 61.842 62.300 0.097 0.000 0.847 193 V CB 1.633 33.553 31.823 0.162 0.000 0.990 193 V HN -0.057 nan 8.190 nan 0.000 0.444 194 V N 4.490 124.309 119.914 -0.159 0.000 1.984 194 V HA 0.340 4.460 4.120 0.001 0.000 0.272 194 V C 0.557 176.500 176.094 -0.251 0.000 1.706 194 V CA 0.503 62.689 62.300 -0.190 0.000 1.644 194 V CB -0.597 31.110 31.823 -0.192 0.000 1.509 194 V HN 0.884 nan 8.190 nan 0.000 0.511 195 S N 1.107 116.660 115.700 -0.245 0.000 2.611 195 S HA 0.664 5.134 4.470 0.001 0.000 0.268 195 S C 0.066 174.439 174.600 -0.379 0.000 1.156 195 S CA -0.598 57.434 58.200 -0.279 0.000 0.817 195 S CB 2.035 65.074 63.200 -0.267 0.000 1.122 195 S HN 0.440 nan 8.310 nan 0.000 0.466 196 R N -0.172 120.057 120.500 -0.452 0.000 3.718 196 R HA 0.217 4.557 4.340 0.001 0.000 0.136 196 R C 0.270 176.318 176.300 -0.419 0.000 0.698 196 R CA 0.122 55.730 56.100 -0.821 0.000 1.110 196 R CB -0.436 29.321 30.300 -0.905 0.000 1.594 196 R HN 0.519 nan 8.270 nan 0.000 0.490 197 D N 1.683 121.922 120.400 -0.268 0.000 2.312 197 D HA -0.080 4.560 4.640 0.001 0.000 0.211 197 D C 0.530 176.728 176.300 -0.169 0.000 0.964 197 D CA 0.995 54.902 54.000 -0.154 0.000 0.877 197 D CB -0.062 40.688 40.800 -0.082 0.000 0.924 197 D HN 0.294 nan 8.370 nan 0.000 0.515 198 N N -0.036 118.553 118.700 -0.185 0.000 2.282 198 N HA 0.021 4.762 4.740 0.001 0.000 0.240 198 N C -0.698 174.672 175.510 -0.233 0.000 1.182 198 N CA -0.185 52.830 53.050 -0.058 0.000 0.874 198 N CB 0.351 38.897 38.487 0.098 0.000 1.126 198 N HN -0.178 nan 8.380 nan 0.000 0.516 199 V N 1.414 120.998 119.914 -0.550 0.000 2.384 199 V HA 0.555 4.675 4.120 0.001 0.000 0.287 199 V C -0.936 174.836 176.094 -0.536 0.000 1.020 199 V CA -0.522 61.625 62.300 -0.255 0.000 0.850 199 V CB 0.382 32.247 31.823 0.070 0.000 0.987 199 V HN 0.032 nan 8.190 nan 0.000 0.436 200 F N 1.845 121.905 119.950 0.184 0.000 2.603 200 F HA 0.500 5.027 4.527 0.001 0.000 0.317 200 F C 0.048 175.956 175.800 0.180 0.000 1.066 200 F CA -0.794 57.301 58.000 0.158 0.000 0.941 200 F CB 1.674 40.755 39.000 0.135 0.000 1.291 200 F HN 0.489 nan 8.300 nan 0.000 0.472 201 H N 1.541 120.743 119.070 0.221 0.000 2.556 201 H HA 0.704 5.261 4.556 0.001 0.000 0.310 201 H C -1.814 173.571 175.328 0.096 0.000 1.057 201 H CA -0.587 55.529 56.048 0.112 0.000 1.264 201 H CB 1.146 30.938 29.762 0.050 0.000 1.404 201 H HN 0.441 nan 8.280 nan 0.000 0.462 202 V N 5.469 125.431 119.914 0.081 0.000 2.498 202 V HA 0.270 4.390 4.120 0.001 0.000 0.283 202 V C 0.813 176.880 176.094 -0.046 0.000 1.015 202 V CA -0.672 61.567 62.300 -0.101 0.000 0.867 202 V CB 1.194 33.005 31.823 -0.020 0.000 1.025 202 V HN 0.971 nan 8.190 nan 0.000 0.441 203 G N 1.930 110.639 108.800 -0.152 0.000 2.651 203 G HA2 0.341 4.302 3.960 0.001 0.000 0.260 203 G HA3 0.341 4.302 3.960 0.001 0.000 0.260 203 G C -0.209 174.624 174.900 -0.111 0.000 1.216 203 G CA -0.344 44.718 45.100 -0.063 0.000 0.913 203 G HN 0.779 nan 8.290 nan 0.000 0.535 204 H N -1.188 117.857 119.070 -0.042 0.000 2.948 204 H HA 0.312 4.869 4.556 0.001 0.000 0.351 204 H C 1.232 176.200 175.328 -0.600 0.000 1.079 204 H CA 0.438 56.369 56.048 -0.195 0.000 1.407 204 H CB 0.735 30.458 29.762 -0.066 0.000 1.373 204 H HN 0.618 nan 8.280 nan 0.000 0.605 205 G N 0.350 108.341 108.800 -1.348 0.000 2.535 205 G HA2 0.468 4.429 3.960 0.001 0.000 0.303 205 G HA3 0.468 4.429 3.960 0.001 0.000 0.303 205 G C -0.546 173.288 174.900 -1.777 0.000 1.237 205 G CA -0.206 43.902 45.100 -1.653 0.000 0.986 205 G HN 0.611 nan 8.290 nan 0.000 0.494 206 V N -2.169 116.972 119.914 -1.289 0.000 3.040 206 V HA 0.652 4.772 4.120 0.001 0.000 0.312 206 V C -0.817 174.941 176.094 -0.560 0.000 1.115 206 V CA -1.256 60.542 62.300 -0.837 0.000 0.998 206 V CB 1.813 33.263 31.823 -0.622 0.000 1.042 206 V HN 0.825 nan 8.190 nan 0.000 0.433 207 D N 1.113 121.416 120.400 -0.162 0.000 2.399 207 D HA 0.103 4.743 4.640 0.001 0.000 0.241 207 D C 1.196 177.401 176.300 -0.158 0.000 1.133 207 D CA 0.175 54.202 54.000 0.045 0.000 0.890 207 D CB 0.230 41.129 40.800 0.164 0.000 1.201 207 D HN 0.888 nan 8.370 nan 0.000 0.432 208 H N 0.817 119.869 119.070 -0.031 0.000 2.560 208 H HA -0.088 4.468 4.556 0.001 0.000 0.283 208 H C 0.133 175.440 175.328 -0.034 0.000 1.028 208 H CA 0.652 56.678 56.048 -0.037 0.000 1.221 208 H CB 0.044 29.816 29.762 0.017 0.000 1.363 208 H HN 0.359 nan 8.280 nan 0.000 0.594 209 N N 0.007 118.398 118.700 -0.515 0.000 2.181 209 N HA 0.117 4.858 4.740 0.001 0.000 0.207 209 N C 1.921 177.301 175.510 -0.217 0.000 1.182 209 N CA -0.174 52.596 53.050 -0.466 0.000 0.893 209 N CB 0.316 38.463 38.487 -0.566 0.000 1.032 209 N HN 0.225 nan 8.380 nan 0.000 0.513 210 L N 0.589 121.636 121.223 -0.294 0.000 2.021 210 L HA -0.243 4.098 4.340 0.001 0.000 0.215 210 L C 1.419 178.358 176.870 0.116 0.000 1.074 210 L CA 1.497 56.197 54.840 -0.234 0.000 0.760 210 L CB -0.315 41.205 42.059 -0.898 0.000 0.889 210 L HN 0.161 nan 8.230 nan 0.000 0.433 211 D N -0.717 119.792 120.400 0.181 0.000 2.178 211 D HA -0.178 4.463 4.640 0.001 0.000 0.201 211 D C 2.295 178.699 176.300 0.173 0.000 0.980 211 D CA 1.032 55.227 54.000 0.325 0.000 0.842 211 D CB -0.009 40.958 40.800 0.278 0.000 0.948 211 D HN 0.468 nan 8.370 nan 0.000 0.472 212 Q N -0.164 119.684 119.800 0.080 0.000 2.172 212 Q HA 0.005 4.345 4.340 0.001 0.000 0.200 212 Q C 2.390 178.407 176.000 0.029 0.000 0.964 212 Q CA 0.481 56.309 55.803 0.042 0.000 0.855 212 Q CB 0.141 28.883 28.738 0.007 0.000 0.918 212 Q HN 0.311 nan 8.270 nan 0.000 0.444 213 L N -0.592 120.644 121.223 0.022 0.000 2.291 213 L HA -0.014 4.326 4.340 0.001 0.000 0.214 213 L C 2.056 178.921 176.870 -0.009 0.000 1.120 213 L CA 0.709 55.546 54.840 -0.005 0.000 0.799 213 L CB -0.249 41.794 42.059 -0.026 0.000 0.925 213 L HN 0.249 nan 8.230 nan 0.000 0.446 214 G N -1.381 107.442 108.800 0.038 0.000 2.920 214 G HA2 -0.041 3.919 3.960 0.001 0.000 0.208 214 G HA3 -0.041 3.919 3.960 0.001 0.000 0.208 214 G C 0.138 175.067 174.900 0.048 0.000 1.159 214 G CA 0.016 45.090 45.100 -0.044 0.000 0.784 214 G HN 0.173 nan 8.290 nan 0.000 0.535 215 D N 0.256 120.692 120.400 0.061 0.000 2.342 215 D HA 0.390 5.030 4.640 0.001 0.000 0.243 215 D C -2.011 174.259 176.300 -0.051 0.000 1.019 215 D CA -1.028 53.009 54.000 0.061 0.000 0.864 215 D CB 2.424 43.269 40.800 0.075 0.000 1.315 215 D HN -0.033 nan 8.370 nan 0.000 0.468 216 P HA 0.099 nan 4.420 nan 0.000 0.277 216 P C -0.207 176.839 177.300 -0.424 0.000 1.276 216 P CA -0.460 62.512 63.100 -0.213 0.000 0.788 216 P CB 0.554 32.138 31.700 -0.193 0.000 1.114 217 S N 0.582 115.864 115.700 -0.696 0.000 2.528 217 S HA 0.219 4.689 4.470 0.001 0.000 0.277 217 S C -1.214 172.965 174.600 -0.702 0.000 1.297 217 S CA -1.262 56.355 58.200 -0.973 0.000 1.052 217 S CB -0.209 62.391 63.200 -1.000 0.000 0.917 217 S HN 0.299 nan 8.310 nan 0.000 0.492 218 P HA 0.079 nan 4.420 nan 0.000 0.241 218 P C -0.719 176.153 177.300 -0.713 0.000 1.191 218 P CA 0.410 62.936 63.100 -0.956 0.000 0.771 218 P CB 0.012 30.663 31.700 -1.748 0.000 0.929 219 Y N 0.486 120.472 120.300 -0.523 0.000 2.361 219 Y HA 0.562 5.112 4.550 0.001 0.000 0.332 219 Y C 1.253 176.969 175.900 -0.306 0.000 1.101 219 Y CA -1.637 56.132 58.100 -0.552 0.000 1.137 219 Y CB 0.690 38.650 38.460 -0.835 0.000 1.207 219 Y HN -0.053 nan 8.280 nan 0.000 0.463 220 A N 1.988 124.816 122.820 0.015 0.000 2.445 220 A HA 0.325 4.646 4.320 0.001 0.000 0.270 220 A C 0.317 178.020 177.584 0.198 0.000 1.495 220 A CA -0.601 51.484 52.037 0.081 0.000 0.840 220 A CB 0.045 19.103 19.000 0.097 0.000 1.472 220 A HN 0.694 nan 8.150 nan 0.000 0.541 221 E N -0.793 119.500 120.200 0.156 0.000 2.422 221 E HA 0.409 4.760 4.350 0.001 0.000 0.260 221 E C 0.500 177.202 176.600 0.170 0.000 1.108 221 E CA 1.458 57.942 56.400 0.140 0.000 0.943 221 E CB 0.364 30.105 29.700 0.069 0.000 0.961 221 E HN 1.357 nan 8.360 nan 0.000 0.443 222 G N 0.494 109.309 108.800 0.025 0.000 2.384 222 G HA2 -0.111 3.849 3.960 0.001 0.000 0.668 222 G HA3 -0.111 3.849 3.960 0.001 0.000 0.668 222 G C -0.858 173.818 174.900 -0.372 0.000 1.280 222 G CA -0.767 44.225 45.100 -0.179 0.000 0.992 222 G HN 0.385 nan 8.290 nan 0.000 0.512 223 I N 1.810 122.099 120.570 -0.470 0.000 2.331 223 I HA 0.392 4.563 4.170 0.001 0.000 0.292 223 I C -0.170 175.498 176.117 -0.749 0.000 0.998 223 I CA -0.734 60.310 61.300 -0.428 0.000 1.267 223 I CB 1.315 39.195 38.000 -0.201 0.000 1.386 223 I HN 0.371 nan 8.210 nan 0.000 0.476 224 H N 5.246 124.103 119.070 -0.356 0.000 2.505 224 H HA 0.669 5.226 4.556 0.001 0.000 0.338 224 H C -0.593 174.372 175.328 -0.605 0.000 1.057 224 H CA -0.696 55.038 56.048 -0.525 0.000 1.202 224 H CB 2.042 31.142 29.762 -1.105 0.000 1.466 224 H HN 0.679 nan 8.280 nan 0.000 0.499 225 A N 2.886 125.353 122.820 -0.589 0.000 2.355 225 A HA 0.578 4.898 4.320 0.001 0.000 0.324 225 A C -0.709 176.708 177.584 -0.278 0.000 1.117 225 A CA -0.719 50.784 52.037 -0.890 0.000 0.785 225 A CB 1.778 19.802 19.000 -1.628 0.000 1.254 225 A HN 0.441 nan 8.150 nan 0.000 0.453 226 V N 1.028 120.802 119.914 -0.233 0.000 2.656 226 V HA 0.830 4.951 4.120 0.001 0.000 0.307 226 V C -0.236 175.900 176.094 0.070 0.000 1.051 226 V CA 0.119 62.435 62.300 0.026 0.000 0.893 226 V CB 1.677 33.538 31.823 0.064 0.000 0.999 226 V HN 1.685 nan 8.190 nan 0.000 0.426 227 A N 5.417 128.355 122.820 0.196 0.000 2.393 227 A HA 0.898 5.218 4.320 0.001 0.000 0.306 227 A C -1.479 176.226 177.584 0.203 0.000 1.050 227 A CA -0.541 51.672 52.037 0.293 0.000 0.724 227 A CB 2.103 21.377 19.000 0.455 0.000 1.248 227 A HN 1.085 nan 8.150 nan 0.000 0.424 228 V N 1.217 121.272 119.914 0.235 0.000 2.525 228 V HA 0.856 4.977 4.120 0.001 0.000 0.299 228 V C 0.384 176.544 176.094 0.109 0.000 1.034 228 V CA 0.362 62.731 62.300 0.116 0.000 0.863 228 V CB 0.826 32.714 31.823 0.109 0.000 0.999 228 V HN 2.273 nan 8.190 nan 0.000 0.423 229 G N 3.497 112.339 108.800 0.070 0.000 2.525 229 G HA2 0.149 4.109 3.960 0.001 0.000 0.685 229 G HA3 0.149 4.109 3.960 0.001 0.000 0.685 229 G C 0.117 175.095 174.900 0.131 0.000 1.285 229 G CA -0.042 45.114 45.100 0.093 0.000 0.849 229 G HN 1.366 nan 8.290 nan 0.000 0.653 230 S N -0.185 115.596 115.700 0.134 0.000 2.523 230 S HA 0.350 4.820 4.470 0.001 0.000 0.217 230 S C 1.224 175.996 174.600 0.286 0.000 0.996 230 S CA 0.925 59.227 58.200 0.170 0.000 0.921 230 S CB 0.214 63.464 63.200 0.084 0.000 0.829 230 S HN 1.476 nan 8.310 nan 0.000 0.495 231 M N 3.399 123.171 119.600 0.285 0.000 2.408 231 M HA 0.228 4.708 4.480 0.001 0.000 0.363 231 M C 0.313 176.866 176.300 0.421 0.000 1.636 231 M CA -0.428 55.074 55.300 0.337 0.000 1.029 231 M CB -1.173 31.660 32.600 0.387 0.000 2.068 231 M HN 0.418 nan 8.290 nan 0.000 0.466 232 L N 4.295 125.719 121.223 0.334 0.000 3.839 232 L HA -0.277 4.063 4.340 0.001 0.000 0.416 232 L C -0.061 176.993 176.870 0.305 0.000 1.195 232 L CA 0.037 55.062 54.840 0.308 0.000 0.946 232 L CB -2.297 39.964 42.059 0.335 0.000 1.891 232 L HN 0.722 nan 8.230 nan 0.000 0.963 233 F N 2.029 122.101 119.950 0.203 0.000 2.612 233 F HA 0.111 4.638 4.527 0.001 0.000 0.389 233 F C 0.926 176.862 175.800 0.227 0.000 1.055 233 F CA 0.228 58.346 58.000 0.197 0.000 1.232 233 F CB 0.352 39.458 39.000 0.176 0.000 1.044 233 F HN 0.060 nan 8.300 nan 0.000 0.560 234 D N 9.032 129.012 120.400 -0.700 0.000 2.460 234 D HA 0.298 4.938 4.640 0.001 0.000 0.232 234 D C -1.839 174.174 176.300 -0.479 0.000 1.079 234 D CA -2.509 51.274 54.000 -0.363 0.000 0.864 234 D CB 1.346 42.091 40.800 -0.092 0.000 1.048 234 D HN 0.239 nan 8.370 nan 0.000 0.523 235 P HA -0.126 nan 4.420 nan 0.000 0.223 235 P C 1.107 178.493 177.300 0.145 0.000 1.151 235 P CA 0.624 63.882 63.100 0.263 0.000 0.787 235 P CB 0.457 32.338 31.700 0.302 0.000 0.788 236 E N -0.693 119.488 120.200 -0.032 0.000 2.204 236 E HA -0.187 4.163 4.350 0.001 0.000 0.195 236 E C 1.788 178.319 176.600 -0.116 0.000 0.990 236 E CA 0.453 56.802 56.400 -0.084 0.000 0.821 236 E CB -0.549 29.127 29.700 -0.041 0.000 0.750 236 E HN 0.110 nan 8.360 nan 0.000 0.477 237 F N 0.295 120.081 119.950 -0.274 0.000 2.069 237 F HA -0.232 4.295 4.527 0.001 0.000 0.298 237 F C 1.525 176.935 175.800 -0.650 0.000 1.113 237 F CA 1.750 59.428 58.000 -0.537 0.000 1.214 237 F CB -0.310 38.223 39.000 -0.779 0.000 0.978 237 F HN 0.015 nan 8.300 nan 0.000 0.474 238 F N -0.377 119.518 119.950 -0.091 0.000 2.259 238 F HA -0.082 4.446 4.527 0.001 0.000 0.298 238 F C 2.272 177.897 175.800 -0.292 0.000 1.088 238 F CA 0.967 58.774 58.000 -0.322 0.000 1.358 238 F CB -1.247 37.513 39.000 -0.400 0.000 1.040 238 F HN -0.200 nan 8.300 nan 0.000 0.505 239 V N -0.261 119.700 119.914 0.079 0.000 2.252 239 V HA -0.311 3.809 4.120 0.001 0.000 0.249 239 V C 2.315 178.335 176.094 -0.123 0.000 1.056 239 V CA 1.911 64.232 62.300 0.035 0.000 1.022 239 V CB -0.880 30.919 31.823 -0.040 0.000 0.641 239 V HN 0.181 nan 8.190 nan 0.000 0.445 240 V N -0.040 119.726 119.914 -0.246 0.000 2.270 240 V HA -0.214 3.906 4.120 0.001 0.000 0.245 240 V C 2.666 178.558 176.094 -0.337 0.000 1.043 240 V CA 2.040 64.172 62.300 -0.280 0.000 1.014 240 V CB -1.097 30.529 31.823 -0.329 0.000 0.645 240 V HN 0.564 nan 8.190 nan 0.000 0.447 241 A N 0.668 123.123 122.820 -0.608 0.000 1.930 241 A HA -0.196 4.124 4.320 0.001 0.000 0.217 241 A C 2.549 179.911 177.584 -0.371 0.000 1.175 241 A CA 2.232 53.942 52.037 -0.544 0.000 0.627 241 A CB -0.738 17.621 19.000 -1.069 0.000 0.815 241 A HN 0.681 nan 8.150 nan 0.000 0.443 242 S N 0.008 115.388 115.700 -0.534 0.000 2.368 242 S HA -0.205 4.265 4.470 0.001 0.000 0.224 242 S C 1.941 176.541 174.600 0.001 0.000 1.029 242 S CA 1.607 59.663 58.200 -0.240 0.000 0.988 242 S CB -0.353 62.745 63.200 -0.170 0.000 0.838 242 S HN 0.572 nan 8.310 nan 0.000 0.462 243 K N 1.815 122.184 120.400 -0.051 0.000 2.026 243 K HA 0.067 4.387 4.320 0.001 0.000 0.208 243 K C 2.235 178.788 176.600 -0.079 0.000 1.048 243 K CA 1.271 57.532 56.287 -0.042 0.000 0.929 243 K CB -0.698 31.769 32.500 -0.056 0.000 0.713 243 K HN 0.450 nan 8.250 nan 0.000 0.439 244 A N -0.329 122.418 122.820 -0.122 0.000 2.014 244 A HA 0.037 4.357 4.320 0.001 0.000 0.218 244 A C 0.466 177.673 177.584 -0.628 0.000 1.163 244 A CA 0.745 52.574 52.037 -0.347 0.000 0.652 244 A CB -0.107 18.685 19.000 -0.347 0.000 0.808 244 A HN 0.294 nan 8.150 nan 0.000 0.449 245 F N -0.395 119.598 119.950 0.073 0.000 2.523 245 F HA 0.304 4.831 4.527 0.000 0.000 0.322 245 F C -1.704 174.199 175.800 0.173 0.000 1.361 245 F CA -1.949 56.142 58.000 0.150 0.000 1.151 245 F CB 1.338 40.502 39.000 0.275 0.000 1.391 245 F HN 0.063 nan 8.300 nan 0.000 0.566 246 P HA -0.238 nan 4.420 nan 0.000 0.221 246 P C 1.328 178.697 177.300 0.116 0.000 1.145 246 P CA 1.331 64.504 63.100 0.122 0.000 0.795 246 P CB 0.245 31.970 31.700 0.042 0.000 0.775 247 Q N 0.041 119.908 119.800 0.111 0.000 2.432 247 Q HA 0.035 4.375 4.340 0.001 0.000 0.205 247 Q C 0.311 176.318 176.000 0.012 0.000 0.945 247 Q CA 0.643 56.480 55.803 0.056 0.000 0.924 247 Q CB -0.549 28.219 28.738 0.050 0.000 1.016 247 Q HN 0.076 nan 8.270 nan 0.000 0.503 248 V N 2.467 122.423 119.914 0.070 0.000 2.439 248 V HA 0.264 4.384 4.120 0.001 0.000 0.282 248 V C 0.014 175.997 176.094 -0.184 0.000 1.039 248 V CA -0.459 61.747 62.300 -0.158 0.000 0.913 248 V CB 1.581 33.234 31.823 -0.284 0.000 0.983 248 V HN 0.121 nan 8.190 nan 0.000 0.460 249 T N 5.712 120.070 114.554 -0.327 0.000 2.744 249 T HA 0.544 4.895 4.350 0.001 0.000 0.291 249 T C -0.533 173.946 174.700 -0.368 0.000 0.957 249 T CA 0.078 62.057 62.100 -0.201 0.000 1.002 249 T CB 0.108 68.948 68.868 -0.047 0.000 0.919 249 T HN 0.314 nan 8.240 nan 0.000 0.468 250 F N 2.532 122.382 119.950 -0.168 0.000 2.404 250 F HA 0.325 4.852 4.527 0.001 0.000 0.354 250 F C 0.734 176.393 175.800 -0.235 0.000 1.122 250 F CA -0.909 57.040 58.000 -0.085 0.000 1.080 250 F CB 0.748 39.808 39.000 0.099 0.000 1.131 250 F HN 0.589 nan 8.300 nan 0.000 0.471 251 H N 2.254 121.446 119.070 0.204 0.000 2.641 251 H HA 0.458 5.014 4.556 0.001 0.000 0.295 251 H C -0.735 174.664 175.328 0.119 0.000 1.070 251 H CA -0.556 55.667 56.048 0.292 0.000 1.257 251 H CB 0.989 30.957 29.762 0.345 0.000 1.393 251 H HN 0.294 nan 8.280 nan 0.000 0.464 252 V N 6.301 126.299 119.914 0.140 0.000 2.294 252 V HA 0.237 4.358 4.120 0.001 0.000 0.272 252 V C 0.069 176.179 176.094 0.026 0.000 1.027 252 V CA -0.409 61.836 62.300 -0.091 0.000 0.823 252 V CB 0.128 31.692 31.823 -0.431 0.000 1.030 252 V HN 0.673 nan 8.190 nan 0.000 0.457 253 I N 3.641 124.182 120.570 -0.048 0.000 2.354 253 I HA 0.555 4.725 4.170 0.001 0.000 0.292 253 I C 1.211 177.263 176.117 -0.107 0.000 0.989 253 I CA -0.453 60.784 61.300 -0.104 0.000 1.188 253 I CB 1.590 39.411 38.000 -0.299 0.000 1.342 253 I HN 0.765 nan 8.210 nan 0.000 0.457 254 G N 4.215 112.956 108.800 -0.099 0.000 2.323 254 G HA2 -0.314 3.646 3.960 0.001 0.000 0.292 254 G HA3 -0.314 3.646 3.960 0.001 0.000 0.292 254 G C 0.909 175.716 174.900 -0.154 0.000 1.040 254 G CA 0.718 45.760 45.100 -0.097 0.000 0.942 254 G HN 0.849 nan 8.290 nan 0.000 0.506 255 S N -1.116 114.386 115.700 -0.330 0.000 2.555 255 S HA 0.324 4.794 4.470 0.001 0.000 0.230 255 S C 2.354 176.690 174.600 -0.441 0.000 0.978 255 S CA 1.240 59.012 58.200 -0.713 0.000 0.934 255 S CB -0.027 62.181 63.200 -1.654 0.000 0.766 255 S HN 2.382 nan 8.310 nan 0.000 0.533 256 G N 1.139 109.813 108.800 -0.210 0.000 2.184 256 G HA2 -0.307 3.654 3.960 0.001 0.000 0.264 256 G HA3 -0.307 3.654 3.960 0.001 0.000 0.264 256 G C -0.019 174.844 174.900 -0.061 0.000 0.975 256 G CA 0.753 45.804 45.100 -0.082 0.000 0.642 256 G HN 0.960 nan 8.290 nan 0.000 0.536 257 M N -2.061 117.466 119.600 -0.122 0.000 2.779 257 M HA 0.840 5.320 4.480 0.001 0.000 0.277 257 M C 0.697 176.968 176.300 -0.048 0.000 1.284 257 M CA -0.426 54.852 55.300 -0.035 0.000 0.801 257 M CB 0.987 33.627 32.600 0.066 0.000 1.712 257 M HN 0.494 nan 8.290 nan 0.000 0.453 258 G N 0.037 108.832 108.800 -0.007 0.000 2.773 258 G HA2 0.482 4.442 3.960 0.001 0.000 0.186 258 G HA3 0.482 4.442 3.960 0.001 0.000 0.186 258 G C -1.080 173.841 174.900 0.036 0.000 1.411 258 G CA -0.907 44.191 45.100 -0.004 0.000 1.054 258 G HN 0.773 nan 8.290 nan 0.000 0.579 259 R N 0.664 121.170 120.500 0.009 0.000 2.308 259 R HA 0.086 4.426 4.340 0.001 0.000 0.325 259 R C -0.115 176.061 176.300 -0.207 0.000 1.161 259 R CA -0.450 55.660 56.100 0.016 0.000 1.022 259 R CB -0.559 29.774 30.300 0.055 0.000 1.091 259 R HN 0.632 nan 8.270 nan 0.000 0.497 260 H N 6.196 124.832 119.070 -0.724 0.000 3.064 260 H HA 0.003 4.560 4.556 0.001 0.000 0.329 260 H C -1.596 173.430 175.328 -0.504 0.000 1.020 260 H CA -1.043 54.584 56.048 -0.701 0.000 1.402 260 H CB 1.497 30.663 29.762 -0.994 0.000 1.379 260 H HN 0.490 nan 8.280 nan 0.000 0.594 261 P HA -0.063 nan 4.420 nan 0.000 0.228 261 P C 1.114 178.443 177.300 0.047 0.000 1.151 261 P CA 1.246 64.261 63.100 -0.140 0.000 0.770 261 P CB -0.019 31.570 31.700 -0.186 0.000 0.786 262 G N -1.687 107.292 108.800 0.297 0.000 2.777 262 G HA2 -0.074 3.886 3.960 0.001 0.000 0.211 262 G HA3 -0.074 3.886 3.960 0.001 0.000 0.211 262 G C 0.202 175.261 174.900 0.266 0.000 1.149 262 G CA -0.093 45.162 45.100 0.259 0.000 0.785 262 G HN 0.121 nan 8.290 nan 0.000 0.536 263 Y N 1.527 121.935 120.300 0.181 0.000 2.620 263 Y HA 0.384 4.935 4.550 0.001 0.000 0.330 263 Y C 1.365 177.302 175.900 0.063 0.000 1.186 263 Y CA -0.955 57.203 58.100 0.097 0.000 1.467 263 Y CB 0.038 38.562 38.460 0.105 0.000 1.262 263 Y HN 0.051 nan 8.280 nan 0.000 0.550 264 G N 2.176 111.097 108.800 0.201 0.000 2.684 264 G HA2 0.011 3.972 3.960 0.001 0.000 0.255 264 G HA3 0.011 3.972 3.960 0.001 0.000 0.255 264 G C 0.399 175.374 174.900 0.124 0.000 1.219 264 G CA -0.520 44.655 45.100 0.125 0.000 0.901 264 G HN 0.624 nan 8.290 nan 0.000 0.548 265 D N -0.160 120.294 120.400 0.091 0.000 2.312 265 D HA -0.105 4.536 4.640 0.001 0.000 0.211 265 D C 1.919 178.261 176.300 0.070 0.000 0.964 265 D CA 0.556 54.600 54.000 0.074 0.000 0.877 265 D CB 0.063 40.896 40.800 0.054 0.000 0.924 265 D HN 0.514 nan 8.370 nan 0.000 0.515 266 N N 0.683 119.440 118.700 0.095 0.000 2.515 266 N HA -0.062 4.678 4.740 0.001 0.000 0.191 266 N C -0.064 175.526 175.510 0.134 0.000 1.182 266 N CA 0.098 53.218 53.050 0.117 0.000 0.879 266 N CB 0.104 38.695 38.487 0.174 0.000 0.984 266 N HN -0.067 nan 8.380 nan 0.000 0.453 267 V N 1.755 121.715 119.914 0.076 0.000 2.398 267 V HA 0.379 4.499 4.120 0.001 0.000 0.286 267 V C 0.250 176.308 176.094 -0.060 0.000 1.026 267 V CA -0.766 61.528 62.300 -0.010 0.000 0.868 267 V CB 1.511 33.221 31.823 -0.188 0.000 0.982 267 V HN 0.067 nan 8.190 nan 0.000 0.443 268 I N 5.193 125.681 120.570 -0.137 0.000 2.339 268 I HA 0.431 4.602 4.170 0.001 0.000 0.290 268 I C -0.505 175.471 176.117 -0.234 0.000 0.994 268 I CA -0.720 60.451 61.300 -0.214 0.000 1.191 268 I CB 1.858 39.711 38.000 -0.245 0.000 1.343 268 I HN 0.273 nan 8.210 nan 0.000 0.458 269 V N 7.198 126.962 119.914 -0.250 0.000 2.370 269 V HA 0.353 4.473 4.120 0.001 0.000 0.283 269 V C -0.671 175.266 176.094 -0.261 0.000 1.023 269 V CA -0.569 61.647 62.300 -0.140 0.000 0.857 269 V CB 0.930 32.760 31.823 0.011 0.000 0.985 269 V HN 0.426 nan 8.190 nan 0.000 0.443 270 Y N 2.161 122.404 120.300 -0.094 0.000 2.446 270 Y HA 0.693 5.243 4.550 0.001 0.000 0.338 270 Y C 1.054 176.889 175.900 -0.109 0.000 1.055 270 Y CA -0.399 57.638 58.100 -0.104 0.000 1.101 270 Y CB 1.667 40.024 38.460 -0.172 0.000 1.221 270 Y HN 0.742 nan 8.280 nan 0.000 0.460 271 G N 0.715 109.552 108.800 0.062 0.000 2.611 271 G HA2 0.091 4.051 3.960 0.001 0.000 0.273 271 G HA3 0.091 4.051 3.960 0.001 0.000 0.273 271 G C -0.430 174.466 174.900 -0.008 0.000 1.305 271 G CA -0.671 44.432 45.100 0.005 0.000 1.010 271 G HN 0.539 nan 8.290 nan 0.000 0.509 272 E N -0.419 119.763 120.200 -0.030 0.000 2.608 272 E HA -0.032 4.319 4.350 0.001 0.000 0.259 272 E C -0.030 176.546 176.600 -0.039 0.000 0.951 272 E CA 0.724 57.101 56.400 -0.039 0.000 0.945 272 E CB 0.694 30.370 29.700 -0.040 0.000 0.916 272 E HN 0.355 nan 8.360 nan 0.000 0.477 273 M N 3.088 122.656 119.600 -0.055 0.000 2.465 273 M HA 0.191 4.672 4.480 0.001 0.000 0.316 273 M C -0.507 175.772 176.300 -0.034 0.000 1.121 273 M CA -0.943 54.320 55.300 -0.062 0.000 0.934 273 M CB 1.267 33.785 32.600 -0.136 0.000 1.692 273 M HN -0.006 nan 8.290 nan 0.000 0.444 274 K N 2.288 122.676 120.400 -0.021 0.000 2.436 274 K HA -0.049 4.272 4.320 0.001 0.000 0.275 274 K C 0.643 177.269 176.600 0.043 0.000 0.999 274 K CA 0.462 56.753 56.287 0.007 0.000 0.980 274 K CB 0.217 32.718 32.500 0.001 0.000 0.919 274 K HN 0.769 nan 8.250 nan 0.000 0.484 275 H N 2.526 121.603 119.070 0.011 0.000 2.321 275 H HA -0.235 4.321 4.556 0.001 0.000 0.295 275 H C 1.518 176.879 175.328 0.054 0.000 1.102 275 H CA 2.824 58.910 56.048 0.063 0.000 1.266 275 H CB 0.193 30.059 29.762 0.174 0.000 1.363 275 H HN 0.693 nan 8.280 nan 0.000 0.492 276 A N 0.181 122.993 122.820 -0.012 0.000 1.940 276 A HA -0.252 4.069 4.320 0.001 0.000 0.219 276 A C 2.396 179.921 177.584 -0.099 0.000 1.176 276 A CA 1.865 53.856 52.037 -0.076 0.000 0.631 276 A CB -0.778 18.237 19.000 0.026 0.000 0.814 276 A HN 0.724 nan 8.150 nan 0.000 0.446 277 Q N -0.357 119.410 119.800 -0.055 0.000 2.230 277 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 277 Q C 2.017 178.026 176.000 0.015 0.000 0.963 277 Q CA 1.709 57.498 55.803 -0.022 0.000 0.866 277 Q CB -0.255 28.484 28.738 0.002 0.000 0.931 277 Q HN 0.823 nan 8.270 nan 0.000 0.452 278 T N -1.234 113.285 114.554 -0.058 0.000 2.929 278 T HA -0.091 4.259 4.350 0.001 0.000 0.271 278 T C 1.724 176.427 174.700 0.006 0.000 1.085 278 T CA 0.601 62.680 62.100 -0.034 0.000 1.125 278 T CB -0.134 68.682 68.868 -0.087 0.000 0.874 278 T HN 0.168 nan 8.240 nan 0.000 0.494 279 I N 2.255 122.768 120.570 -0.095 0.000 2.315 279 I HA 0.057 4.227 4.170 0.001 0.000 0.248 279 I C 2.961 178.973 176.117 -0.176 0.000 1.117 279 I CA 1.145 62.383 61.300 -0.102 0.000 1.404 279 I CB -1.929 36.021 38.000 -0.085 0.000 1.071 279 I HN 0.450 nan 8.210 nan 0.000 0.419 280 G N 0.097 108.782 108.800 -0.191 0.000 2.442 280 G HA2 -0.283 3.677 3.960 0.001 0.000 0.219 280 G HA3 -0.283 3.677 3.960 0.001 0.000 0.219 280 G C 1.630 176.277 174.900 -0.422 0.000 1.141 280 G CA 0.564 45.493 45.100 -0.285 0.000 0.763 280 G HN 0.320 nan 8.290 nan 0.000 0.554 281 Y N 0.307 120.374 120.300 -0.390 0.000 2.352 281 Y HA 0.080 4.630 4.550 0.001 0.000 0.292 281 Y C 2.591 178.420 175.900 -0.119 0.000 1.136 281 Y CA 0.640 58.503 58.100 -0.396 0.000 1.227 281 Y CB -0.078 38.170 38.460 -0.354 0.000 0.991 281 Y HN 0.170 nan 8.280 nan 0.000 0.545 282 I N -0.359 120.200 120.570 -0.018 0.000 2.270 282 I HA -0.204 3.966 4.170 0.001 0.000 0.239 282 I C 2.430 178.359 176.117 -0.314 0.000 1.080 282 I CA 0.988 62.262 61.300 -0.043 0.000 1.383 282 I CB -0.327 37.743 38.000 0.117 0.000 1.097 282 I HN -0.029 nan 8.210 nan 0.000 0.420 283 K N 0.372 120.320 120.400 -0.753 0.000 2.113 283 K HA -0.218 4.103 4.320 0.001 0.000 0.208 283 K C 1.814 177.994 176.600 -0.700 0.000 1.047 283 K CA 1.611 57.190 56.287 -1.180 0.000 0.928 283 K CB -0.045 31.649 32.500 -1.343 0.000 0.716 283 K HN 0.441 nan 8.250 nan 0.000 0.446 284 H N -0.804 118.137 119.070 -0.214 0.000 2.586 284 H HA 0.244 4.800 4.556 0.001 0.000 0.273 284 H C 0.200 175.603 175.328 0.125 0.000 0.997 284 H CA 0.243 56.270 56.048 -0.034 0.000 1.177 284 H CB 0.340 30.062 29.762 -0.067 0.000 1.471 284 H HN 0.211 nan 8.280 nan 0.000 0.538 285 A N 1.345 124.261 122.820 0.160 0.000 2.406 285 A HA 0.126 4.446 4.320 0.001 0.000 0.243 285 A C 1.745 179.295 177.584 -0.056 0.000 1.082 285 A CA -0.156 51.872 52.037 -0.014 0.000 0.786 285 A CB 0.681 19.628 19.000 -0.089 0.000 1.029 285 A HN 0.332 nan 8.150 nan 0.000 0.495 286 R N 0.217 120.654 120.500 -0.104 0.000 2.093 286 R HA 0.130 4.470 4.340 0.001 0.000 0.224 286 R C -0.020 176.350 176.300 0.117 0.000 1.101 286 R CA 1.881 57.986 56.100 0.007 0.000 0.979 286 R CB -0.267 30.053 30.300 0.033 0.000 0.877 286 R HN 0.871 nan 8.270 nan 0.000 0.441 287 F N -3.229 116.651 119.950 -0.118 0.000 2.668 287 F HA 0.770 5.297 4.527 0.001 0.000 0.309 287 F C -0.357 175.322 175.800 -0.202 0.000 1.117 287 F CA -1.180 56.752 58.000 -0.113 0.000 0.951 287 F CB 0.795 39.752 39.000 -0.071 0.000 1.323 287 F HN -0.047 nan 8.300 nan 0.000 0.451 288 G N 1.106 109.757 108.800 -0.247 0.000 2.489 288 G HA2 0.748 4.708 3.960 0.001 0.000 0.327 288 G HA3 0.748 4.708 3.960 0.001 0.000 0.327 288 G C -1.710 173.065 174.900 -0.209 0.000 1.189 288 G CA -1.129 43.531 45.100 -0.733 0.000 0.962 288 G HN 0.771 nan 8.290 nan 0.000 0.486 289 I N 0.183 120.696 120.570 -0.095 0.000 2.533 289 I HA 0.533 4.703 4.170 0.001 0.000 0.290 289 I C 0.002 176.235 176.117 0.192 0.000 1.056 289 I CA -0.944 60.401 61.300 0.076 0.000 1.057 289 I CB 2.613 40.590 38.000 -0.038 0.000 1.240 289 I HN 0.544 nan 8.210 nan 0.000 0.423 290 A N 7.352 130.199 122.820 0.045 0.000 2.644 290 A HA 0.617 4.937 4.320 0.001 0.000 0.343 290 A C -2.494 174.823 177.584 -0.444 0.000 1.324 290 A CA -1.340 50.568 52.037 -0.215 0.000 0.846 290 A CB -0.039 18.843 19.000 -0.196 0.000 1.128 290 A HN 0.402 nan 8.150 nan 0.000 0.484 291 P HA 0.187 nan 4.420 nan 0.000 0.219 291 P C -1.034 176.155 177.300 -0.186 0.000 1.832 291 P CA -0.226 62.677 63.100 -0.329 0.000 1.014 291 P CB -0.519 30.940 31.700 -0.400 0.000 1.939 292 Y N 1.040 121.365 120.300 0.042 0.000 2.544 292 Y HA 0.173 4.723 4.550 0.001 0.000 0.330 292 Y C 2.006 177.927 175.900 0.036 0.000 1.136 292 Y CA -0.150 57.973 58.100 0.038 0.000 1.417 292 Y CB 0.041 38.508 38.460 0.012 0.000 1.229 292 Y HN 0.302 nan 8.280 nan 0.000 0.532 293 A N 2.258 125.196 122.820 0.196 0.000 2.119 293 A HA 0.038 4.358 4.320 0.001 0.000 0.217 293 A C 1.136 178.790 177.584 0.117 0.000 1.153 293 A CA 1.046 53.163 52.037 0.134 0.000 0.692 293 A CB -0.024 19.045 19.000 0.115 0.000 0.799 293 A HN 0.493 nan 8.150 nan 0.000 0.458 294 S N -1.358 114.410 115.700 0.113 0.000 2.542 294 S HA 0.428 4.898 4.470 0.001 0.000 0.293 294 S C 0.021 174.636 174.600 0.025 0.000 1.089 294 S CA -0.558 57.679 58.200 0.061 0.000 0.961 294 S CB 1.389 64.620 63.200 0.051 0.000 1.062 294 S HN 0.352 nan 8.310 nan 0.000 0.483 295 E N 1.384 121.584 120.200 -0.001 0.000 2.474 295 E HA 0.080 4.431 4.350 0.001 0.000 0.195 295 E C -0.162 176.413 176.600 -0.041 0.000 1.039 295 E CA -0.035 56.344 56.400 -0.034 0.000 0.881 295 E CB 0.265 29.943 29.700 -0.036 0.000 0.970 295 E HN 0.460 nan 8.360 nan 0.000 0.486 296 Q N 1.331 121.116 119.800 -0.026 0.000 3.159 296 Q HA 0.063 4.403 4.340 0.001 0.000 0.280 296 Q C -0.046 175.917 176.000 -0.062 0.000 1.403 296 Q CA 0.116 55.902 55.803 -0.029 0.000 0.957 296 Q CB -0.472 28.264 28.738 -0.004 0.000 1.729 296 Q HN 0.122 nan 8.270 nan 0.000 0.551 297 V N -1.902 117.950 119.914 -0.104 0.000 3.040 297 V HA 0.789 4.909 4.120 0.001 0.000 0.312 297 V C -2.491 173.469 176.094 -0.224 0.000 1.115 297 V CA -2.428 59.764 62.300 -0.180 0.000 0.998 297 V CB 1.976 33.654 31.823 -0.242 0.000 1.042 297 V HN 0.162 nan 8.190 nan 0.000 0.433 298 P HA 0.279 nan 4.420 nan 0.000 0.274 298 P C 0.993 178.068 177.300 -0.377 0.000 1.237 298 P CA -0.159 62.677 63.100 -0.440 0.000 0.793 298 P CB 1.610 32.729 31.700 -0.969 0.000 0.977 299 V N 1.072 120.867 119.914 -0.198 0.000 2.568 299 V HA -0.271 3.850 4.120 0.001 0.000 0.253 299 V C 2.307 178.379 176.094 -0.035 0.000 1.072 299 V CA 2.196 64.445 62.300 -0.084 0.000 1.084 299 V CB -1.851 29.965 31.823 -0.011 0.000 0.676 299 V HN 0.656 nan 8.190 nan 0.000 0.469 300 Y N -0.656 119.648 120.300 0.007 0.000 2.509 300 Y HA 0.021 4.571 4.550 0.001 0.000 0.293 300 Y C 1.993 177.908 175.900 0.026 0.000 1.133 300 Y CA 0.475 58.584 58.100 0.015 0.000 1.283 300 Y CB -0.808 37.658 38.460 0.010 0.000 1.001 300 Y HN 0.203 nan 8.280 nan 0.000 0.555 301 L N 1.796 122.923 121.223 -0.161 0.000 2.127 301 L HA -0.110 4.230 4.340 0.001 0.000 0.211 301 L C 2.457 179.349 176.870 0.037 0.000 1.089 301 L CA 1.555 56.348 54.840 -0.078 0.000 0.757 301 L CB -1.269 40.610 42.059 -0.301 0.000 0.899 301 L HN 0.368 nan 8.230 nan 0.000 0.434 302 A N -0.937 121.919 122.820 0.060 0.000 1.940 302 A HA -0.224 4.096 4.320 0.001 0.000 0.219 302 A C 1.968 179.616 177.584 0.107 0.000 1.176 302 A CA 2.076 54.179 52.037 0.110 0.000 0.631 302 A CB -0.597 18.540 19.000 0.227 0.000 0.814 302 A HN 0.566 nan 8.150 nan 0.000 0.446 303 D N -0.723 119.810 120.400 0.222 0.000 2.216 303 D HA -0.049 4.591 4.640 0.001 0.000 0.208 303 D C 2.296 178.698 176.300 0.170 0.000 0.960 303 D CA 1.604 55.744 54.000 0.233 0.000 0.861 303 D CB -0.281 40.651 40.800 0.220 0.000 0.985 303 D HN 0.591 nan 8.370 nan 0.000 0.493 304 S N -0.258 115.574 115.700 0.219 0.000 2.524 304 S HA 0.020 4.490 4.470 0.001 0.000 0.216 304 S C 1.126 175.957 174.600 0.386 0.000 0.987 304 S CA -0.303 58.069 58.200 0.286 0.000 0.909 304 S CB 0.071 63.483 63.200 0.353 0.000 0.781 304 S HN -0.006 nan 8.310 nan 0.000 0.521 305 S N 1.815 117.655 115.700 0.233 0.000 2.546 305 S HA 0.147 4.617 4.470 0.001 0.000 0.290 305 S C 1.242 175.930 174.600 0.146 0.000 1.262 305 S CA -0.372 57.952 58.200 0.206 0.000 1.083 305 S CB -0.049 63.281 63.200 0.217 0.000 0.859 305 S HN 0.389 nan 8.310 nan 0.000 0.495 306 M N 5.071 124.736 119.600 0.107 0.000 2.123 306 M HA -0.074 4.406 4.480 0.001 0.000 0.263 306 M C 2.198 178.453 176.300 -0.075 0.000 1.069 306 M CA 1.640 56.943 55.300 0.004 0.000 1.133 306 M CB -1.062 31.525 32.600 -0.021 0.000 1.356 306 M HN 0.875 nan 8.290 nan 0.000 0.415 307 K N 0.092 120.421 120.400 -0.117 0.000 2.063 307 K HA -0.163 4.157 4.320 0.001 0.000 0.208 307 K C 1.854 177.959 176.600 -0.824 0.000 1.048 307 K CA 1.307 57.343 56.287 -0.419 0.000 0.928 307 K CB -0.550 31.751 32.500 -0.331 0.000 0.713 307 K HN 0.091 nan 8.250 nan 0.000 0.442 308 L N 1.290 122.251 121.223 -0.437 0.000 2.093 308 L HA -0.062 4.279 4.340 0.001 0.000 0.208 308 L C 2.357 179.121 176.870 -0.177 0.000 1.085 308 L CA 1.099 55.763 54.840 -0.294 0.000 0.755 308 L CB -1.014 40.996 42.059 -0.081 0.000 0.904 308 L HN 0.298 nan 8.230 nan 0.000 0.435 309 L N -0.479 120.668 121.223 -0.126 0.000 2.012 309 L HA -0.247 4.094 4.340 0.001 0.000 0.210 309 L C 2.467 179.338 176.870 0.001 0.000 1.073 309 L CA 1.777 56.586 54.840 -0.051 0.000 0.748 309 L CB -0.670 41.378 42.059 -0.019 0.000 0.891 309 L HN 0.363 nan 8.230 nan 0.000 0.431 310 Q N -1.755 118.023 119.800 -0.038 0.000 2.124 310 Q HA -0.218 4.122 4.340 0.001 0.000 0.202 310 Q C 2.130 178.351 176.000 0.369 0.000 0.977 310 Q CA 1.821 57.686 55.803 0.103 0.000 0.850 310 Q CB -0.324 28.461 28.738 0.078 0.000 0.901 310 Q HN 0.540 nan 8.270 nan 0.000 0.429 311 Y N 1.262 121.700 120.300 0.229 0.000 2.145 311 Y HA -0.201 4.350 4.550 0.001 0.000 0.286 311 Y C 1.978 178.017 175.900 0.233 0.000 1.145 311 Y CA 0.790 59.041 58.100 0.251 0.000 1.148 311 Y CB -0.768 37.794 38.460 0.169 0.000 0.981 311 Y HN 0.115 nan 8.280 nan 0.000 0.507 312 D N -0.528 120.050 120.400 0.296 0.000 2.182 312 D HA -0.191 4.449 4.640 0.001 0.000 0.201 312 D C 2.098 178.464 176.300 0.109 0.000 0.986 312 D CA 0.936 55.044 54.000 0.180 0.000 0.847 312 D CB -0.785 40.071 40.800 0.093 0.000 0.942 312 D HN 0.306 nan 8.370 nan 0.000 0.467 313 F N 0.413 120.328 119.950 -0.059 0.000 2.126 313 F HA -0.216 4.311 4.527 0.001 0.000 0.299 313 F C 1.666 177.258 175.800 -0.347 0.000 1.096 313 F CA 1.347 59.181 58.000 -0.276 0.000 1.255 313 F CB -0.288 38.417 39.000 -0.492 0.000 0.997 313 F HN -0.144 nan 8.300 nan 0.000 0.479 314 F N 0.478 120.462 119.950 0.056 0.000 2.797 314 F HA 0.285 4.813 4.527 0.001 0.000 0.302 314 F C 1.980 177.736 175.800 -0.074 0.000 1.130 314 F CA 0.615 58.587 58.000 -0.048 0.000 1.387 314 F CB -0.540 38.511 39.000 0.085 0.000 1.107 314 F HN 0.128 nan 8.300 nan 0.000 0.577 315 G N 1.199 110.051 108.800 0.086 0.000 2.168 315 G HA2 -0.331 3.629 3.960 0.001 0.000 0.257 315 G HA3 -0.331 3.629 3.960 0.001 0.000 0.257 315 G C 0.162 175.155 174.900 0.154 0.000 0.997 315 G CA 0.051 45.194 45.100 0.072 0.000 0.708 315 G HN 0.300 nan 8.290 nan 0.000 0.520 316 L N 1.875 123.234 121.223 0.227 0.000 2.562 316 L HA 0.469 4.810 4.340 0.001 0.000 0.271 316 L C -1.491 175.506 176.870 0.213 0.000 1.167 316 L CA -1.561 53.392 54.840 0.189 0.000 0.917 316 L CB 0.164 42.318 42.059 0.159 0.000 1.187 316 L HN -0.045 nan 8.230 nan 0.000 0.482 317 P HA 0.181 nan 4.420 nan 0.000 0.266 317 P C -1.263 176.234 177.300 0.327 0.000 1.195 317 P CA 0.048 63.351 63.100 0.339 0.000 0.768 317 P CB 0.677 32.610 31.700 0.389 0.000 0.838 318 A N 2.690 125.716 122.820 0.342 0.000 2.386 318 A HA 0.615 4.935 4.320 0.001 0.000 0.311 318 A C -1.011 176.794 177.584 0.368 0.000 1.068 318 A CA -0.621 51.605 52.037 0.314 0.000 0.743 318 A CB 1.245 20.437 19.000 0.320 0.000 1.258 318 A HN 0.304 nan 8.150 nan 0.000 0.429 319 V N 1.387 121.520 119.914 0.364 0.000 2.398 319 V HA 0.585 4.705 4.120 0.001 0.000 0.286 319 V C 0.024 176.309 176.094 0.319 0.000 1.026 319 V CA -0.258 62.264 62.300 0.371 0.000 0.868 319 V CB 0.437 32.482 31.823 0.370 0.000 0.982 319 V HN 1.410 nan 8.190 nan 0.000 0.443 320 C N 3.710 123.213 119.300 0.339 0.000 3.311 320 C HA 0.736 5.196 4.460 0.001 0.000 0.325 320 C C -3.177 171.678 174.990 -0.225 0.000 1.352 320 C CA -2.224 56.888 59.018 0.156 0.000 1.308 320 C CB 1.722 29.541 27.740 0.131 0.000 1.619 320 C HN 0.594 nan 8.230 nan 0.000 0.469 321 P HA 0.173 nan 4.420 nan 0.000 0.267 321 P C 0.309 177.460 177.300 -0.248 0.000 1.201 321 P CA 0.551 63.271 63.100 -0.633 0.000 0.775 321 P CB 0.448 31.960 31.700 -0.314 0.000 0.854 322 N N 1.477 120.060 118.700 -0.196 0.000 2.205 322 N HA -0.183 4.557 4.740 0.001 0.000 0.186 322 N C 1.612 177.093 175.510 -0.048 0.000 1.015 322 N CA 1.256 54.264 53.050 -0.071 0.000 0.862 322 N CB -0.392 38.072 38.487 -0.038 0.000 0.986 322 N HN 0.418 nan 8.380 nan 0.000 0.429 323 A N 0.394 123.175 122.820 -0.065 0.000 2.172 323 A HA -0.020 4.301 4.320 0.001 0.000 0.216 323 A C 1.790 179.351 177.584 -0.037 0.000 1.154 323 A CA 1.178 53.185 52.037 -0.050 0.000 0.701 323 A CB -0.252 18.709 19.000 -0.066 0.000 0.789 323 A HN 0.269 nan 8.150 nan 0.000 0.465 324 V N -4.721 115.187 119.914 -0.010 0.000 3.346 324 V HA 0.199 4.319 4.120 0.001 0.000 0.309 324 V C 1.484 177.618 176.094 0.066 0.000 1.457 324 V CA 0.481 62.798 62.300 0.029 0.000 1.069 324 V CB -0.345 31.520 31.823 0.070 0.000 0.944 324 V HN 0.024 nan 8.190 nan 0.000 0.449 325 V N 1.938 121.881 119.914 0.049 0.000 2.295 325 V HA 0.147 4.267 4.120 0.001 0.000 0.246 325 V C 2.280 178.469 176.094 0.158 0.000 1.049 325 V CA 2.327 64.666 62.300 0.065 0.000 1.024 325 V CB -1.449 30.383 31.823 0.015 0.000 0.648 325 V HN 1.108 nan 8.190 nan 0.000 0.447 326 G N 1.079 109.947 108.800 0.113 0.000 2.574 326 G HA2 -0.266 3.694 3.960 0.001 0.000 0.282 326 G HA3 -0.266 3.694 3.960 0.001 0.000 0.282 326 G C -1.688 173.249 174.900 0.062 0.000 1.257 326 G CA 0.193 45.370 45.100 0.128 0.000 0.956 326 G HN 0.493 nan 8.290 nan 0.000 0.560 327 P HA 0.456 nan 4.420 nan 0.000 0.214 327 P C -1.348 175.579 177.300 -0.622 0.000 1.826 327 P CA 0.177 63.087 63.100 -0.317 0.000 0.977 327 P CB -0.463 31.009 31.700 -0.380 0.000 1.930 328 Y N -0.531 119.728 120.300 -0.069 0.000 2.479 328 Y HA 0.344 4.894 4.550 0.001 0.000 0.338 328 Y C 0.795 176.603 175.900 -0.152 0.000 1.055 328 Y CA -0.914 57.138 58.100 -0.080 0.000 1.023 328 Y CB 2.277 40.719 38.460 -0.029 0.000 1.287 328 Y HN -0.146 nan 8.280 nan 0.000 0.447 329 K N 0.359 120.722 120.400 -0.061 0.000 2.120 329 K HA 0.390 4.710 4.320 0.001 0.000 0.245 329 K C 0.388 176.927 176.600 -0.102 0.000 1.024 329 K CA 0.148 56.309 56.287 -0.210 0.000 0.906 329 K CB 0.539 32.674 32.500 -0.607 0.000 1.051 329 K HN 0.779 nan 8.250 nan 0.000 0.491 330 S N -0.051 115.530 115.700 -0.199 0.000 3.490 330 S HA -0.174 4.296 4.470 0.001 0.000 0.301 330 S C -0.516 173.838 174.600 -0.409 0.000 1.233 330 S CA 0.955 59.067 58.200 -0.147 0.000 0.914 330 S CB -1.041 62.300 63.200 0.234 0.000 1.047 330 S HN 0.552 nan 8.310 nan 0.000 0.602 331 R N -0.198 119.888 120.500 -0.691 0.000 2.480 331 R HA 0.564 4.904 4.340 0.001 0.000 0.306 331 R C -1.307 174.557 176.300 -0.727 0.000 0.958 331 R CA -0.326 55.507 56.100 -0.446 0.000 0.861 331 R CB 0.878 31.101 30.300 -0.128 0.000 1.171 331 R HN 0.138 nan 8.270 nan 0.000 0.445 332 F N 0.940 120.956 119.950 0.111 0.000 2.382 332 F HA 0.365 4.892 4.527 0.001 0.000 0.361 332 F C 1.020 176.909 175.800 0.149 0.000 1.109 332 F CA -0.788 57.270 58.000 0.097 0.000 1.031 332 F CB 1.856 40.886 39.000 0.049 0.000 1.234 332 F HN 0.551 nan 8.300 nan 0.000 0.445 333 G N 2.452 111.377 108.800 0.208 0.000 2.444 333 G HA2 0.426 4.386 3.960 0.001 0.000 0.268 333 G HA3 0.426 4.386 3.960 0.001 0.000 0.268 333 G C -1.374 173.663 174.900 0.228 0.000 1.203 333 G CA -0.241 44.939 45.100 0.133 0.000 0.835 333 G HN 0.654 nan 8.290 nan 0.000 0.543 334 Y N -1.770 118.604 120.300 0.124 0.000 2.669 334 Y HA 0.778 5.329 4.550 0.001 0.000 0.335 334 Y C -0.216 175.740 175.900 0.094 0.000 1.116 334 Y CA -1.434 56.734 58.100 0.113 0.000 1.081 334 Y CB 0.956 39.504 38.460 0.147 0.000 1.297 334 Y HN 0.408 nan 8.280 nan 0.000 0.484 335 T N 3.497 118.192 114.554 0.235 0.000 2.758 335 T HA 0.408 4.759 4.350 0.001 0.000 0.285 335 T C -2.809 172.067 174.700 0.293 0.000 0.981 335 T CA -1.454 60.718 62.100 0.120 0.000 0.965 335 T CB 1.078 70.006 68.868 0.100 0.000 0.927 335 T HN 0.361 nan 8.240 nan 0.000 0.448 336 P HA 0.194 nan 4.420 nan 0.000 0.264 336 P C 1.089 178.502 177.300 0.188 0.000 1.183 336 P CA 0.899 64.184 63.100 0.308 0.000 0.763 336 P CB 0.347 32.153 31.700 0.178 0.000 0.807 337 G N 1.873 110.765 108.800 0.154 0.000 2.179 337 G HA2 -0.247 3.713 3.960 0.001 0.000 0.260 337 G HA3 -0.247 3.713 3.960 0.001 0.000 0.260 337 G C 0.322 175.258 174.900 0.061 0.000 0.977 337 G CA -0.226 44.922 45.100 0.079 0.000 0.641 337 G HN 0.678 nan 8.290 nan 0.000 0.533 338 N N 0.709 119.463 118.700 0.091 0.000 2.621 338 N HA 0.571 5.312 4.740 0.001 0.000 0.237 338 N C 1.451 176.977 175.510 0.027 0.000 0.997 338 N CA 0.613 53.702 53.050 0.064 0.000 0.918 338 N CB 1.055 39.598 38.487 0.093 0.000 1.122 338 N HN 0.355 nan 8.380 nan 0.000 0.510 339 A N 3.496 126.303 122.820 -0.022 0.000 1.883 339 A HA -0.184 4.137 4.320 0.001 0.000 0.217 339 A C 1.566 179.118 177.584 -0.054 0.000 1.186 339 A CA 1.507 53.500 52.037 -0.074 0.000 0.624 339 A CB -0.220 18.736 19.000 -0.073 0.000 0.822 339 A HN 0.654 nan 8.150 nan 0.000 0.444 340 D N 0.011 120.401 120.400 -0.017 0.000 2.123 340 D HA -0.153 4.487 4.640 0.001 0.000 0.196 340 D C 2.491 178.807 176.300 0.027 0.000 0.992 340 D CA 1.947 55.946 54.000 -0.001 0.000 0.833 340 D CB -0.418 40.386 40.800 0.007 0.000 0.954 340 D HN 0.611 nan 8.370 nan 0.000 0.455 341 S N 0.108 115.843 115.700 0.058 0.000 2.383 341 S HA -0.096 4.374 4.470 0.001 0.000 0.227 341 S C 2.267 176.945 174.600 0.130 0.000 1.026 341 S CA 0.791 59.063 58.200 0.119 0.000 0.981 341 S CB -0.598 62.705 63.200 0.172 0.000 0.818 341 S HN 0.080 nan 8.310 nan 0.000 0.472 342 V N 2.305 122.223 119.914 0.007 0.000 2.287 342 V HA -0.147 3.973 4.120 0.001 0.000 0.248 342 V C 2.495 178.516 176.094 -0.122 0.000 1.053 342 V CA 2.065 64.220 62.300 -0.242 0.000 1.027 342 V CB -0.722 30.764 31.823 -0.562 0.000 0.646 342 V HN 0.520 nan 8.190 nan 0.000 0.447 343 I N 0.248 120.807 120.570 -0.018 0.000 2.252 343 I HA -0.196 3.974 4.170 0.001 0.000 0.245 343 I C 2.657 178.865 176.117 0.152 0.000 1.102 343 I CA 1.376 62.776 61.300 0.167 0.000 1.385 343 I CB -0.619 37.431 38.000 0.083 0.000 1.064 343 I HN 0.281 nan 8.210 nan 0.000 0.414 344 A N 0.874 123.740 122.820 0.076 0.000 1.902 344 A HA -0.160 4.161 4.320 0.001 0.000 0.217 344 A C 2.553 180.151 177.584 0.023 0.000 1.181 344 A CA 1.884 53.955 52.037 0.056 0.000 0.623 344 A CB -0.806 18.230 19.000 0.061 0.000 0.818 344 A HN 0.427 nan 8.150 nan 0.000 0.443 345 A N -0.010 122.848 122.820 0.062 0.000 1.877 345 A HA -0.077 4.244 4.320 0.001 0.000 0.216 345 A C 2.127 179.630 177.584 -0.136 0.000 1.186 345 A CA 1.510 53.602 52.037 0.091 0.000 0.620 345 A CB -0.610 18.560 19.000 0.284 0.000 0.822 345 A HN 0.497 nan 8.150 nan 0.000 0.443 346 I N -0.463 119.958 120.570 -0.249 0.000 2.226 346 I HA -0.236 3.934 4.170 0.001 0.000 0.245 346 I C 2.594 178.282 176.117 -0.714 0.000 1.100 346 I CA 1.765 62.660 61.300 -0.675 0.000 1.374 346 I CB -0.774 36.681 38.000 -0.908 0.000 1.057 346 I HN 0.259 nan 8.210 nan 0.000 0.413 347 T N 0.231 114.584 114.554 -0.335 0.000 2.684 347 T HA -0.254 4.096 4.350 0.001 0.000 0.267 347 T C 1.889 176.400 174.700 -0.315 0.000 1.036 347 T CA 1.475 63.477 62.100 -0.163 0.000 1.148 347 T CB -0.273 68.617 68.868 0.036 0.000 0.863 347 T HN 0.418 nan 8.240 nan 0.000 0.436 348 Q N 0.358 119.914 119.800 -0.407 0.000 2.084 348 Q HA -0.008 4.332 4.340 0.001 0.000 0.202 348 Q C 2.741 178.073 176.000 -1.114 0.000 0.978 348 Q CA 1.384 56.777 55.803 -0.683 0.000 0.844 348 Q CB -0.296 28.004 28.738 -0.730 0.000 0.898 348 Q HN 0.559 nan 8.270 nan 0.000 0.426 349 A N 0.752 122.907 122.820 -1.109 0.000 1.969 349 A HA -0.124 4.196 4.320 0.001 0.000 0.218 349 A C 2.030 179.292 177.584 -0.536 0.000 1.169 349 A CA 0.870 52.414 52.037 -0.822 0.000 0.635 349 A CB -0.555 18.132 19.000 -0.521 0.000 0.810 349 A HN 0.282 nan 8.150 nan 0.000 0.445 350 L N -0.696 120.169 121.223 -0.596 0.000 2.131 350 L HA -0.133 4.207 4.340 0.001 0.000 0.210 350 L C 1.963 178.725 176.870 -0.181 0.000 1.092 350 L CA 1.055 55.699 54.840 -0.326 0.000 0.759 350 L CB -0.203 41.677 42.059 -0.298 0.000 0.903 350 L HN 0.292 nan 8.230 nan 0.000 0.435 351 E N -0.170 119.894 120.200 -0.226 0.000 2.472 351 E HA 0.198 4.548 4.350 0.001 0.000 0.196 351 E C 0.649 177.195 176.600 -0.091 0.000 1.033 351 E CA 0.102 56.422 56.400 -0.134 0.000 0.886 351 E CB 0.146 29.771 29.700 -0.124 0.000 0.944 351 E HN 0.251 nan 8.360 nan 0.000 0.492 352 A N 3.591 126.339 122.820 -0.121 0.000 2.488 352 A HA 0.302 4.623 4.320 0.001 0.000 0.249 352 A C -2.055 175.594 177.584 0.107 0.000 1.083 352 A CA -0.930 51.142 52.037 0.058 0.000 0.768 352 A CB -0.283 18.861 19.000 0.240 0.000 1.017 352 A HN -0.107 nan 8.150 nan 0.000 0.496 353 P HA 0.194 nan 4.420 nan 0.000 0.275 353 P C -0.415 176.950 177.300 0.108 0.000 1.228 353 P CA -0.446 62.713 63.100 0.098 0.000 0.786 353 P CB 0.497 32.249 31.700 0.087 0.000 0.927 354 R N 2.009 122.544 120.500 0.059 0.000 2.242 354 R HA 0.379 4.720 4.340 0.001 0.000 0.334 354 R C -1.242 175.020 176.300 -0.062 0.000 1.071 354 R CA -0.221 55.899 56.100 0.033 0.000 0.922 354 R CB -0.167 30.152 30.300 0.032 0.000 1.023 354 R HN 0.261 nan 8.270 nan 0.000 0.458 355 V N 5.611 125.426 119.914 -0.165 0.000 2.638 355 V HA 0.340 4.460 4.120 0.001 0.000 0.306 355 V C 0.069 175.868 176.094 -0.492 0.000 1.052 355 V CA -0.976 61.055 62.300 -0.449 0.000 0.885 355 V CB 2.004 33.293 31.823 -0.891 0.000 0.999 355 V HN 0.780 nan 8.190 nan 0.000 0.424 356 R N 3.384 123.652 120.500 -0.387 0.000 3.247 356 R HA 0.179 4.519 4.340 0.001 0.000 0.212 356 R C 0.034 176.196 176.300 -0.229 0.000 1.604 356 R CA -0.069 55.863 56.100 -0.280 0.000 1.279 356 R CB -0.118 30.006 30.300 -0.293 0.000 1.277 356 R HN 0.714 nan 8.270 nan 0.000 0.669 357 Y N 0.425 120.724 120.300 -0.001 0.000 2.314 357 Y HA -0.075 4.476 4.550 0.001 0.000 0.293 357 Y C 1.344 177.262 175.900 0.031 0.000 1.129 357 Y CA 0.886 58.998 58.100 0.021 0.000 1.201 357 Y CB 0.015 38.507 38.460 0.053 0.000 0.999 357 Y HN 0.209 nan 8.280 nan 0.000 0.541 358 R N 1.408 122.021 120.500 0.188 0.000 2.312 358 R HA 0.189 4.530 4.340 0.001 0.000 0.311 358 R C -0.412 175.926 176.300 0.063 0.000 1.004 358 R CA -0.486 55.712 56.100 0.163 0.000 0.902 358 R CB 0.702 31.128 30.300 0.210 0.000 1.073 358 R HN 0.127 nan 8.270 nan 0.000 0.457 359 Q N 4.082 123.917 119.800 0.058 0.000 2.279 359 Q HA 0.223 4.564 4.340 0.001 0.000 0.256 359 Q C -1.463 174.549 176.000 0.020 0.000 0.937 359 Q CA -0.425 55.388 55.803 0.018 0.000 0.933 359 Q CB 0.877 29.622 28.738 0.013 0.000 1.189 359 Q HN 0.672 nan 8.270 nan 0.000 0.417 360 C N 6.220 125.534 119.300 0.023 0.000 2.335 360 C HA 0.428 4.888 4.460 0.001 0.000 0.318 360 C C 0.098 175.066 174.990 -0.037 0.000 1.150 360 C CA -1.000 58.026 59.018 0.014 0.000 1.466 360 C CB -0.421 27.405 27.740 0.143 0.000 2.024 360 C HN 0.824 nan 8.230 nan 0.000 0.429 361 L N 3.841 124.994 121.223 -0.117 0.000 2.461 361 L HA 0.202 4.543 4.340 0.001 0.000 0.272 361 L C 0.761 177.491 176.870 -0.234 0.000 1.197 361 L CA 0.117 54.871 54.840 -0.144 0.000 0.836 361 L CB 0.551 42.509 42.059 -0.170 0.000 1.105 361 L HN 0.772 nan 8.230 nan 0.000 0.477 362 N N 0.497 119.097 118.700 -0.166 0.000 2.317 362 N HA -0.042 4.699 4.740 0.001 0.000 0.245 362 N C 0.413 175.804 175.510 -0.198 0.000 1.294 362 N CA -0.153 52.782 53.050 -0.192 0.000 0.924 362 N CB 0.251 38.734 38.487 -0.008 0.000 1.186 362 N HN 0.544 nan 8.380 nan 0.000 0.495 363 W N -1.193 120.089 121.300 -0.031 0.000 2.402 363 W HA -0.103 4.557 4.660 0.001 0.000 0.286 363 W C 2.694 179.196 176.519 -0.029 0.000 1.221 363 W CA 1.126 58.458 57.345 -0.022 0.000 1.257 363 W CB -0.184 29.287 29.460 0.018 0.000 1.120 363 W HN 0.648 nan 8.180 nan 0.000 0.551 364 S N 0.243 116.054 115.700 0.186 0.000 2.345 364 S HA -0.195 4.276 4.470 0.001 0.000 0.220 364 S C 1.518 176.124 174.600 0.010 0.000 1.031 364 S CA 1.903 60.147 58.200 0.073 0.000 0.996 364 S CB -0.485 62.726 63.200 0.019 0.000 0.882 364 S HN 0.089 nan 8.310 nan 0.000 0.445 365 D N 0.696 121.078 120.400 -0.030 0.000 2.144 365 D HA -0.037 4.603 4.640 0.001 0.000 0.199 365 D C 2.066 178.259 176.300 -0.179 0.000 0.984 365 D CA 1.416 55.350 54.000 -0.111 0.000 0.834 365 D CB -0.917 39.818 40.800 -0.107 0.000 0.955 365 D HN 0.423 nan 8.370 nan 0.000 0.465 366 T N 0.227 114.710 114.554 -0.117 0.000 2.708 366 T HA -0.114 4.237 4.350 0.001 0.000 0.266 366 T C 2.021 176.701 174.700 -0.034 0.000 1.037 366 T CA 1.688 63.728 62.100 -0.101 0.000 1.146 366 T CB -0.487 68.333 68.868 -0.081 0.000 0.865 366 T HN 0.152 nan 8.240 nan 0.000 0.435 367 T N 2.031 116.609 114.554 0.041 0.000 2.746 367 T HA -0.122 4.229 4.350 0.001 0.000 0.267 367 T C 1.706 176.381 174.700 -0.042 0.000 1.039 367 T CA 1.248 63.361 62.100 0.021 0.000 1.142 367 T CB -0.547 68.335 68.868 0.023 0.000 0.866 367 T HN 0.325 nan 8.240 nan 0.000 0.444 368 D N 1.043 121.400 120.400 -0.072 0.000 2.133 368 D HA -0.113 4.528 4.640 0.001 0.000 0.192 368 D C 2.340 178.558 176.300 -0.137 0.000 1.001 368 D CA 1.278 55.234 54.000 -0.073 0.000 0.844 368 D CB -0.213 40.520 40.800 -0.112 0.000 0.944 368 D HN 0.335 nan 8.370 nan 0.000 0.447 369 R N -0.099 120.206 120.500 -0.324 0.000 2.093 369 R HA 0.027 4.367 4.340 0.001 0.000 0.224 369 R C 2.440 178.668 176.300 -0.121 0.000 1.101 369 R CA 0.204 56.109 56.100 -0.324 0.000 0.979 369 R CB -0.147 29.900 30.300 -0.422 0.000 0.877 369 R HN 0.039 nan 8.270 nan 0.000 0.441 370 V N 1.401 121.278 119.914 -0.062 0.000 2.332 370 V HA -0.252 3.869 4.120 0.001 0.000 0.248 370 V C 2.157 178.259 176.094 0.014 0.000 1.055 370 V CA 1.756 64.061 62.300 0.008 0.000 1.038 370 V CB -0.346 31.502 31.823 0.043 0.000 0.651 370 V HN 0.291 nan 8.190 nan 0.000 0.450 371 L N -0.779 120.451 121.223 0.013 0.000 2.095 371 L HA 0.030 4.371 4.340 0.001 0.000 0.204 371 L C 0.583 177.472 176.870 0.032 0.000 1.080 371 L CA 1.164 56.034 54.840 0.049 0.000 0.759 371 L CB -0.135 41.971 42.059 0.077 0.000 0.914 371 L HN 0.348 nan 8.230 nan 0.000 0.439 372 D N -0.885 119.533 120.400 0.031 0.000 2.739 372 D HA 0.136 4.777 4.640 0.001 0.000 0.335 372 D C -1.802 174.511 176.300 0.022 0.000 1.216 372 D CA -0.939 53.077 54.000 0.026 0.000 0.808 372 D CB 0.923 41.778 40.800 0.092 0.000 1.121 372 D HN 0.073 nan 8.370 nan 0.000 0.499 373 P HA -0.151 nan 4.420 nan 0.000 0.218 373 P C 1.381 178.502 177.300 -0.297 0.000 1.148 373 P CA 0.700 63.596 63.100 -0.341 0.000 0.822 373 P CB 0.502 31.626 31.700 -0.960 0.000 0.784 374 R N 0.039 120.299 120.500 -0.400 0.000 2.200 374 R HA -0.019 4.321 4.340 0.001 0.000 0.234 374 R C 2.332 178.591 176.300 -0.069 0.000 1.127 374 R CA 1.240 57.267 56.100 -0.120 0.000 0.989 374 R CB -0.798 29.475 30.300 -0.046 0.000 0.869 374 R HN 0.161 nan 8.270 nan 0.000 0.459 375 A N -0.037 122.715 122.820 -0.114 0.000 2.209 375 A HA -0.062 4.259 4.320 0.001 0.000 0.212 375 A C 0.024 177.270 177.584 -0.564 0.000 1.158 375 A CA 0.638 52.483 52.037 -0.321 0.000 0.742 375 A CB 0.042 18.794 19.000 -0.413 0.000 0.790 375 A HN 0.285 nan 8.150 nan 0.000 0.472 376 Y N -1.464 118.809 120.300 -0.044 0.000 2.705 376 Y HA 0.335 4.885 4.550 0.001 0.000 0.355 376 Y C -2.155 173.752 175.900 0.012 0.000 1.039 376 Y CA -2.132 55.956 58.100 -0.021 0.000 1.233 376 Y CB 1.059 39.496 38.460 -0.037 0.000 1.103 376 Y HN 0.119 nan 8.280 nan 0.000 0.624 377 P HA -0.191 nan 4.420 nan 0.000 0.225 377 P C 1.409 178.793 177.300 0.141 0.000 1.148 377 P CA 1.286 64.461 63.100 0.125 0.000 0.779 377 P CB 0.376 32.120 31.700 0.073 0.000 0.780 378 E N 0.057 120.332 120.200 0.125 0.000 2.265 378 E HA -0.163 4.187 4.350 0.001 0.000 0.196 378 E C 1.291 177.962 176.600 0.119 0.000 0.996 378 E CA 1.866 58.327 56.400 0.102 0.000 0.832 378 E CB -1.570 28.176 29.700 0.076 0.000 0.756 378 E HN 0.315 nan 8.360 nan 0.000 0.491 379 T N -1.209 113.443 114.554 0.164 0.000 3.035 379 T HA -0.000 4.350 4.350 0.001 0.000 0.268 379 T C 1.138 176.040 174.700 0.337 0.000 1.109 379 T CA -0.116 62.107 62.100 0.205 0.000 1.119 379 T CB -0.250 68.736 68.868 0.197 0.000 0.900 379 T HN 0.020 nan 8.240 nan 0.000 0.503 380 R N 0.805 121.506 120.500 0.335 0.000 2.522 380 R HA 0.234 4.574 4.340 0.001 0.000 0.284 380 R C 0.814 177.141 176.300 0.045 0.000 1.032 380 R CA -0.104 56.133 56.100 0.229 0.000 1.049 380 R CB 0.409 30.829 30.300 0.199 0.000 0.956 380 R HN 0.350 nan 8.270 nan 0.000 0.422 381 L N 2.922 124.088 121.223 -0.095 0.000 2.585 381 L HA 0.170 4.510 4.340 0.001 0.000 0.226 381 L C -0.355 176.102 176.870 -0.688 0.000 1.113 381 L CA 0.310 54.954 54.840 -0.327 0.000 0.876 381 L CB 0.233 42.085 42.059 -0.345 0.000 1.072 381 L HN 0.560 nan 8.230 nan 0.000 0.468 382 Y N -1.162 119.091 120.300 -0.078 0.000 2.581 382 Y HA 0.464 5.014 4.550 0.001 0.000 0.345 382 Y C -1.697 174.180 175.900 -0.039 0.000 1.036 382 Y CA -2.548 55.512 58.100 -0.066 0.000 1.042 382 Y CB -0.017 38.383 38.460 -0.099 0.000 1.289 382 Y HN -0.156 nan 8.280 nan 0.000 0.471 383 P HA 0.000 nan 4.420 nan 0.000 0.216 383 P CA 0.000 63.146 63.100 0.077 0.000 0.800 383 P CB 0.000 31.739 31.700 0.065 0.000 0.726