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 1cpe_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPGGA ANNVFTNEFY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLENG ITFPKDAPSP FIFKTLEEQG L 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.657 176.870 -0.356 0.000 1.165 4 L CA 0.000 54.685 54.840 -0.258 0.000 0.813 4 L CB 0.000 41.886 42.059 -0.288 0.000 0.961 5 V N 1.686 121.339 119.914 -0.435 0.000 2.638 5 V HA 0.571 4.692 4.120 0.001 0.000 0.306 5 V C -1.090 174.686 176.094 -0.530 0.000 1.052 5 V CA -0.716 61.356 62.300 -0.379 0.000 0.885 5 V CB 2.103 33.807 31.823 -0.198 0.000 0.999 5 V HN 0.579 nan 8.190 nan 0.000 0.424 6 H N 2.897 121.741 119.070 -0.377 0.000 2.860 6 H HA 0.536 5.093 4.556 0.001 0.000 0.312 6 H C -0.790 174.204 175.328 -0.556 0.000 0.995 6 H CA -0.389 55.202 56.048 -0.762 0.000 1.311 6 H CB 2.022 30.962 29.762 -1.370 0.000 1.478 6 H HN 0.411 nan 8.280 nan 0.000 0.508 7 V N 2.210 122.030 119.914 -0.158 0.000 2.481 7 V HA 0.413 4.534 4.120 0.001 0.000 0.286 7 V C 0.839 176.973 176.094 0.067 0.000 1.042 7 V CA -0.983 61.266 62.300 -0.085 0.000 0.928 7 V CB 1.412 33.216 31.823 -0.032 0.000 0.986 7 V HN 0.883 nan 8.190 nan 0.000 0.462 8 A N 3.559 126.332 122.820 -0.079 0.000 2.488 8 A HA 0.477 4.798 4.320 0.001 0.000 0.249 8 A C 0.450 178.086 177.584 0.087 0.000 1.083 8 A CA 0.221 52.260 52.037 0.003 0.000 0.768 8 A CB 0.327 19.246 19.000 -0.135 0.000 1.017 8 A HN 0.858 nan 8.150 nan 0.000 0.496 9 S N 2.557 118.320 115.700 0.105 0.000 2.774 9 S HA 0.427 4.897 4.470 0.001 0.000 0.297 9 S C -0.426 174.244 174.600 0.116 0.000 1.143 9 S CA -0.609 57.652 58.200 0.102 0.000 1.090 9 S CB 0.327 63.590 63.200 0.103 0.000 1.019 9 S HN 0.754 nan 8.310 nan 0.000 0.482 10 V N 4.915 124.907 119.914 0.131 0.000 2.644 10 V HA -0.002 4.118 4.120 0.001 0.000 0.305 10 V C 0.603 176.820 176.094 0.204 0.000 1.053 10 V CA 0.222 62.635 62.300 0.188 0.000 1.186 10 V CB -0.216 31.719 31.823 0.187 0.000 0.895 10 V HN 0.818 nan 8.190 nan 0.000 0.490 11 E N 3.378 123.759 120.200 0.303 0.000 2.493 11 E HA 0.021 4.372 4.350 0.001 0.000 0.255 11 E C 0.309 176.998 176.600 0.148 0.000 0.999 11 E CA 0.066 56.631 56.400 0.275 0.000 0.934 11 E CB 0.086 30.070 29.700 0.473 0.000 0.940 11 E HN 0.557 nan 8.360 nan 0.000 0.473 12 K N 2.561 123.019 120.400 0.097 0.000 2.440 12 K HA -0.045 4.276 4.320 0.001 0.000 0.275 12 K C 0.874 177.456 176.600 -0.030 0.000 1.082 12 K CA 1.102 57.413 56.287 0.041 0.000 1.135 12 K CB -0.382 32.142 32.500 0.041 0.000 0.864 12 K HN 0.689 nan 8.250 nan 0.000 0.479 13 G N 3.479 112.268 108.800 -0.019 0.000 2.168 13 G HA2 -0.274 3.687 3.960 0.001 0.000 0.257 13 G HA3 -0.274 3.687 3.960 0.001 0.000 0.257 13 G C -0.266 174.566 174.900 -0.114 0.000 0.997 13 G CA 0.146 45.215 45.100 -0.051 0.000 0.708 13 G HN 0.572 nan 8.290 nan 0.000 0.520 14 R N 0.346 120.771 120.500 -0.125 0.000 2.457 14 R HA 0.725 5.066 4.340 0.001 0.000 0.284 14 R C 0.637 176.960 176.300 0.039 0.000 1.024 14 R CA 0.355 56.307 56.100 -0.248 0.000 1.025 14 R CB 1.502 31.507 30.300 -0.492 0.000 1.063 14 R HN 0.654 nan 8.270 nan 0.000 0.493 15 S N 0.454 116.159 115.700 0.009 0.000 2.841 15 S HA 0.191 4.661 4.470 0.001 0.000 0.318 15 S C 0.891 175.609 174.600 0.197 0.000 1.127 15 S CA -0.724 57.595 58.200 0.198 0.000 0.883 15 S CB 0.467 63.742 63.200 0.125 0.000 1.271 15 S HN 0.605 nan 8.310 nan 0.000 0.567 16 Y N 2.197 122.432 120.300 -0.108 0.000 2.002 16 Y HA -0.280 4.270 4.550 0.001 0.000 0.268 16 Y C 2.107 177.945 175.900 -0.102 0.000 1.177 16 Y CA 2.861 60.672 58.100 -0.482 0.000 1.111 16 Y CB -1.275 36.946 38.460 -0.399 0.000 0.952 16 Y HN 0.847 nan 8.280 nan 0.000 0.491 17 E N 0.284 120.348 120.200 -0.227 0.000 2.147 17 E HA -0.241 4.110 4.350 0.001 0.000 0.199 17 E C 1.861 178.336 176.600 -0.208 0.000 1.005 17 E CA 1.733 57.980 56.400 -0.256 0.000 0.810 17 E CB -0.401 29.253 29.700 -0.077 0.000 0.736 17 E HN 0.626 nan 8.360 nan 0.000 0.460 18 D N -0.351 119.937 120.400 -0.188 0.000 2.117 18 D HA -0.106 4.535 4.640 0.001 0.000 0.198 18 D C 1.717 177.902 176.300 -0.192 0.000 0.982 18 D CA 0.902 54.760 54.000 -0.237 0.000 0.828 18 D CB -0.178 40.285 40.800 -0.563 0.000 0.967 18 D HN 0.207 nan 8.370 nan 0.000 0.464 19 F N 1.104 121.069 119.950 0.025 0.000 2.206 19 F HA -0.103 4.425 4.527 0.001 0.000 0.298 19 F C 2.625 178.207 175.800 -0.363 0.000 1.090 19 F CA 0.538 58.536 58.000 -0.003 0.000 1.323 19 F CB -0.491 38.721 39.000 0.353 0.000 1.028 19 F HN -0.153 nan 8.300 nan 0.000 0.492 20 Q N 1.148 120.814 119.800 -0.223 0.000 2.197 20 Q HA -0.196 4.145 4.340 0.001 0.000 0.207 20 Q C 1.838 177.687 176.000 -0.252 0.000 0.984 20 Q CA 1.705 57.300 55.803 -0.348 0.000 0.869 20 Q CB -0.291 28.188 28.738 -0.432 0.000 0.906 20 Q HN 0.301 nan 8.270 nan 0.000 0.426 21 K N -1.096 119.175 120.400 -0.216 0.000 2.103 21 K HA -0.044 4.277 4.320 0.001 0.000 0.204 21 K C 1.963 178.314 176.600 -0.415 0.000 1.052 21 K CA 1.268 57.458 56.287 -0.162 0.000 0.945 21 K CB 0.024 32.531 32.500 0.011 0.000 0.722 21 K HN 0.090 nan 8.250 nan 0.000 0.443 22 V N 0.809 120.309 119.914 -0.689 0.000 2.358 22 V HA -0.270 3.851 4.120 0.001 0.000 0.246 22 V C 2.087 177.854 176.094 -0.544 0.000 1.047 22 V CA 1.655 63.364 62.300 -0.984 0.000 1.035 22 V CB -0.656 30.635 31.823 -0.885 0.000 0.658 22 V HN 0.256 nan 8.190 nan 0.000 0.452 23 Y N 1.873 121.805 120.300 -0.613 0.000 2.053 23 Y HA -0.316 4.234 4.550 0.001 0.000 0.277 23 Y C 2.399 178.112 175.900 -0.311 0.000 1.159 23 Y CA 2.273 60.049 58.100 -0.540 0.000 1.125 23 Y CB -0.758 37.240 38.460 -0.769 0.000 0.969 23 Y HN 0.332 nan 8.280 nan 0.000 0.492 24 N N -0.151 118.588 118.700 0.065 0.000 2.104 24 N HA -0.237 4.504 4.740 0.001 0.000 0.190 24 N C 1.958 177.439 175.510 -0.047 0.000 1.024 24 N CA 0.867 53.956 53.050 0.064 0.000 0.853 24 N CB -0.359 38.164 38.487 0.060 0.000 1.008 24 N HN 0.507 nan 8.380 nan 0.000 0.424 25 A N 1.264 124.033 122.820 -0.086 0.000 1.933 25 A HA -0.094 4.227 4.320 0.001 0.000 0.218 25 A C 2.118 179.639 177.584 -0.105 0.000 1.175 25 A CA 0.971 52.983 52.037 -0.042 0.000 0.628 25 A CB -0.514 18.537 19.000 0.085 0.000 0.814 25 A HN 0.187 nan 8.150 nan 0.000 0.444 26 I N -0.357 120.105 120.570 -0.180 0.000 2.252 26 I HA -0.253 3.917 4.170 0.001 0.000 0.245 26 I C 2.982 179.058 176.117 -0.068 0.000 1.102 26 I CA 0.987 62.220 61.300 -0.112 0.000 1.385 26 I CB -0.347 37.529 38.000 -0.208 0.000 1.064 26 I HN 0.353 nan 8.210 nan 0.000 0.414 27 A N 0.981 123.672 122.820 -0.216 0.000 1.908 27 A HA -0.172 4.149 4.320 0.001 0.000 0.218 27 A C 2.268 179.834 177.584 -0.030 0.000 1.181 27 A CA 1.519 53.457 52.037 -0.164 0.000 0.627 27 A CB -0.883 17.986 19.000 -0.218 0.000 0.818 27 A HN 0.384 nan 8.150 nan 0.000 0.445 28 L N -0.814 120.395 121.223 -0.024 0.000 2.141 28 L HA -0.137 4.204 4.340 0.001 0.000 0.209 28 L C 2.571 179.446 176.870 0.009 0.000 1.094 28 L CA 1.724 56.566 54.840 0.003 0.000 0.763 28 L CB -0.309 41.749 42.059 -0.001 0.000 0.908 28 L HN 0.417 nan 8.230 nan 0.000 0.437 29 K N 0.491 120.881 120.400 -0.015 0.000 2.155 29 K HA -0.116 4.205 4.320 0.001 0.000 0.203 29 K C 2.142 178.851 176.600 0.183 0.000 1.052 29 K CA 0.883 57.139 56.287 -0.052 0.000 0.948 29 K CB 0.051 32.324 32.500 -0.379 0.000 0.728 29 K HN 0.247 nan 8.250 nan 0.000 0.448 30 L N 0.548 121.943 121.223 0.287 0.000 2.046 30 L HA -0.167 4.174 4.340 0.001 0.000 0.208 30 L C 2.795 179.778 176.870 0.188 0.000 1.077 30 L CA 1.186 56.192 54.840 0.276 0.000 0.747 30 L CB -0.356 41.764 42.059 0.102 0.000 0.896 30 L HN 0.240 nan 8.230 nan 0.000 0.432 31 R N 0.232 120.805 120.500 0.122 0.000 2.081 31 R HA -0.236 4.104 4.340 0.001 0.000 0.235 31 R C 2.215 178.583 176.300 0.112 0.000 1.131 31 R CA 1.991 58.151 56.100 0.101 0.000 0.960 31 R CB -0.099 30.243 30.300 0.069 0.000 0.856 31 R HN 0.404 nan 8.270 nan 0.000 0.436 32 E N 0.169 120.429 120.200 0.101 0.000 2.072 32 E HA -0.139 4.212 4.350 0.001 0.000 0.190 32 E C -0.095 176.582 176.600 0.129 0.000 0.982 32 E CA 1.214 57.667 56.400 0.089 0.000 0.803 32 E CB 0.110 29.834 29.700 0.039 0.000 0.755 32 E HN 0.222 nan 8.360 nan 0.000 0.453 33 D N 1.733 122.247 120.400 0.191 0.000 3.085 33 D HA -0.023 4.618 4.640 0.001 0.000 0.243 33 D C -0.300 176.178 176.300 0.297 0.000 1.232 33 D CA 0.138 54.302 54.000 0.274 0.000 0.913 33 D CB 0.256 41.319 40.800 0.439 0.000 1.108 33 D HN 0.295 nan 8.370 nan 0.000 0.468 34 D N -0.781 119.741 120.400 0.204 0.000 2.336 34 D HA -0.099 4.541 4.640 0.001 0.000 0.229 34 D C 0.871 177.210 176.300 0.066 0.000 1.061 34 D CA 0.254 54.362 54.000 0.180 0.000 0.875 34 D CB 0.098 41.019 40.800 0.202 0.000 0.904 34 D HN 0.312 nan 8.370 nan 0.000 0.525 35 E N -0.740 119.409 120.200 -0.085 0.000 2.400 35 E HA -0.061 4.289 4.350 0.001 0.000 0.195 35 E C -0.031 176.272 176.600 -0.495 0.000 1.012 35 E CA -0.378 55.664 56.400 -0.596 0.000 0.875 35 E CB -0.003 29.404 29.700 -0.489 0.000 0.859 35 E HN 0.331 nan 8.360 nan 0.000 0.498 36 Y N 2.810 122.913 120.300 -0.328 0.000 2.895 36 Y HA -0.176 4.374 4.550 0.001 0.000 0.334 36 Y C 0.402 176.109 175.900 -0.321 0.000 1.261 36 Y CA 0.341 58.209 58.100 -0.388 0.000 1.560 36 Y CB 0.145 38.124 38.460 -0.801 0.000 1.253 36 Y HN -0.004 nan 8.280 nan 0.000 0.582 37 D N 5.728 125.433 120.400 -1.158 0.000 2.737 37 D HA -0.309 4.332 4.640 0.001 0.000 0.238 37 D C -0.000 176.093 176.300 -0.345 0.000 1.157 37 D CA 1.502 55.042 54.000 -0.766 0.000 0.694 37 D CB -1.267 39.066 40.800 -0.779 0.000 1.021 37 D HN 0.969 nan 8.370 nan 0.000 0.420 38 N N 0.252 118.780 118.700 -0.287 0.000 2.714 38 N HA -0.340 4.401 4.740 0.001 0.000 0.253 38 N C -0.150 175.397 175.510 0.061 0.000 1.024 38 N CA 1.300 54.290 53.050 -0.100 0.000 0.726 38 N CB -1.971 36.544 38.487 0.047 0.000 0.908 38 N HN 0.588 nan 8.380 nan 0.000 0.542 39 Y N -3.934 116.338 120.300 -0.046 0.000 4.729 39 Y HA -0.253 4.299 4.550 0.002 0.000 0.239 39 Y C 1.609 177.508 175.900 -0.002 0.000 1.043 39 Y CA 1.012 59.109 58.100 -0.006 0.000 2.045 39 Y CB -2.323 36.143 38.460 0.009 0.000 1.599 39 Y HN 0.488 nan 8.280 nan 0.000 0.655 40 I N -0.346 120.241 120.570 0.029 0.000 2.480 40 I HA 0.204 4.374 4.170 0.001 0.000 0.251 40 I C 1.685 177.843 176.117 0.068 0.000 1.124 40 I CA 1.373 62.700 61.300 0.045 0.000 1.444 40 I CB -0.113 37.891 38.000 0.007 0.000 1.098 40 I HN 0.528 nan 8.210 nan 0.000 0.428 41 G N -0.531 108.308 108.800 0.066 0.000 2.655 41 G HA2 -0.266 3.695 3.960 0.001 0.000 0.680 41 G HA3 -0.266 3.695 3.960 0.001 0.000 0.680 41 G C -0.360 174.602 174.900 0.103 0.000 1.302 41 G CA -0.469 44.699 45.100 0.114 0.000 0.872 41 G HN 0.068 nan 8.290 nan 0.000 0.540 42 Y N 1.617 121.916 120.300 -0.001 0.000 2.466 42 Y HA 0.270 4.821 4.550 0.001 0.000 0.272 42 Y C 2.692 178.432 175.900 -0.267 0.000 1.169 42 Y CA 1.327 59.269 58.100 -0.263 0.000 1.285 42 Y CB 0.216 38.206 38.460 -0.785 0.000 1.078 42 Y HN 0.823 nan 8.280 nan 0.000 0.523 43 G N 1.857 110.646 108.800 -0.018 0.000 2.586 43 G HA2 -0.272 3.689 3.960 0.001 0.000 0.218 43 G HA3 -0.272 3.689 3.960 0.001 0.000 0.218 43 G C -0.534 174.360 174.900 -0.010 0.000 1.216 43 G CA 1.027 46.104 45.100 -0.039 0.000 0.786 43 G HN 0.261 nan 8.290 nan 0.000 0.583 44 P HA -0.078 nan 4.420 nan 0.000 0.215 44 P C 2.154 179.491 177.300 0.061 0.000 1.157 44 P CA 0.903 64.036 63.100 0.054 0.000 0.868 44 P CB -0.347 31.391 31.700 0.062 0.000 0.788 45 V N -0.481 119.470 119.914 0.062 0.000 2.469 45 V HA -0.211 3.910 4.120 0.001 0.000 0.251 45 V C 2.240 178.330 176.094 -0.007 0.000 1.064 45 V CA 1.573 63.899 62.300 0.043 0.000 1.066 45 V CB -1.103 30.762 31.823 0.070 0.000 0.667 45 V HN -0.000 nan 8.190 nan 0.000 0.461 46 L N -1.166 120.031 121.223 -0.043 0.000 2.109 46 L HA -0.097 4.243 4.340 0.001 0.000 0.207 46 L C 2.475 179.377 176.870 0.053 0.000 1.086 46 L CA 1.170 55.977 54.840 -0.055 0.000 0.760 46 L CB -0.612 41.359 42.059 -0.146 0.000 0.910 46 L HN 0.218 nan 8.230 nan 0.000 0.437 47 V N -0.066 119.900 119.914 0.088 0.000 2.343 47 V HA -0.285 3.835 4.120 0.001 0.000 0.247 47 V C 2.678 178.943 176.094 0.285 0.000 1.051 47 V CA 1.761 64.178 62.300 0.196 0.000 1.036 47 V CB -0.615 31.281 31.823 0.122 0.000 0.654 47 V HN 0.433 nan 8.190 nan 0.000 0.451 48 R N -0.534 120.085 120.500 0.198 0.000 2.081 48 R HA -0.164 4.177 4.340 0.001 0.000 0.235 48 R C 2.284 178.618 176.300 0.056 0.000 1.131 48 R CA 1.587 57.818 56.100 0.218 0.000 0.960 48 R CB -0.350 29.989 30.300 0.065 0.000 0.856 48 R HN 0.419 nan 8.270 nan 0.000 0.436 49 L N 0.778 121.976 121.223 -0.041 0.000 2.012 49 L HA -0.122 4.218 4.340 0.001 0.000 0.210 49 L C 2.239 179.065 176.870 -0.074 0.000 1.073 49 L CA 2.260 56.989 54.840 -0.185 0.000 0.748 49 L CB -0.929 41.002 42.059 -0.215 0.000 0.891 49 L HN 0.220 nan 8.230 nan 0.000 0.431 50 A N -0.305 122.579 122.820 0.107 0.000 1.908 50 A HA -0.276 4.045 4.320 0.001 0.000 0.218 50 A C 2.261 180.001 177.584 0.260 0.000 1.181 50 A CA 1.902 54.055 52.037 0.193 0.000 0.627 50 A CB -1.411 17.764 19.000 0.292 0.000 0.818 50 A HN 0.833 nan 8.150 nan 0.000 0.445 51 W N 0.042 121.479 121.300 0.228 0.000 2.381 51 W HA -0.177 4.484 4.660 0.001 0.000 0.301 51 W C 1.756 178.442 176.519 0.278 0.000 1.205 51 W CA 1.664 59.177 57.345 0.280 0.000 1.285 51 W CB -0.863 28.822 29.460 0.376 0.000 1.133 51 W HN 0.583 nan 8.180 nan 0.000 0.521 52 H N 1.328 120.102 119.070 -0.492 0.000 2.421 52 H HA -0.163 4.394 4.556 0.002 0.000 0.298 52 H C 2.194 177.322 175.328 -0.332 0.000 1.087 52 H CA 1.994 57.663 56.048 -0.631 0.000 1.330 52 H CB 0.075 29.549 29.762 -0.479 0.000 1.388 52 H HN 0.273 nan 8.280 nan 0.000 0.526 53 I N -1.711 118.804 120.570 -0.092 0.000 2.928 53 I HA -0.034 4.137 4.170 0.001 0.000 0.266 53 I C 1.864 178.011 176.117 0.050 0.000 1.234 53 I CA 0.958 62.252 61.300 -0.010 0.000 1.483 53 I CB 0.080 38.094 38.000 0.023 0.000 1.097 53 I HN -0.099 nan 8.210 nan 0.000 0.455 54 S N 0.912 116.635 115.700 0.039 0.000 2.483 54 S HA 0.250 4.721 4.470 0.001 0.000 0.221 54 S C 1.912 176.581 174.600 0.115 0.000 1.030 54 S CA 0.560 58.810 58.200 0.084 0.000 0.925 54 S CB -0.098 63.173 63.200 0.118 0.000 0.795 54 S HN 0.661 nan 8.310 nan 0.000 0.511 55 G N 1.798 110.587 108.800 -0.019 0.000 2.848 55 G HA2 -0.053 3.908 3.960 0.001 0.000 0.208 55 G HA3 -0.053 3.908 3.960 0.001 0.000 0.208 55 G C 1.246 176.158 174.900 0.019 0.000 1.152 55 G CA 1.068 46.164 45.100 -0.008 0.000 0.789 55 G HN 0.583 nan 8.290 nan 0.000 0.531 56 T N -3.555 111.014 114.554 0.026 0.000 3.148 56 T HA -0.008 4.343 4.350 0.001 0.000 0.253 56 T C 0.847 175.632 174.700 0.142 0.000 1.134 56 T CA -0.677 61.457 62.100 0.056 0.000 1.051 56 T CB -0.071 68.837 68.868 0.065 0.000 0.959 56 T HN 0.199 nan 8.240 nan 0.000 0.525 57 W N 2.853 124.150 121.300 -0.006 0.000 2.170 57 W HA 0.362 5.023 4.660 0.001 0.000 0.342 57 W C -0.443 176.057 176.519 -0.032 0.000 1.294 57 W CA -0.240 57.106 57.345 0.001 0.000 1.246 57 W CB 0.335 29.804 29.460 0.015 0.000 1.156 57 W HN 0.015 nan 8.180 nan 0.000 0.572 58 D N 4.698 124.697 120.400 -0.668 0.000 2.420 58 D HA 0.061 4.702 4.640 0.001 0.000 0.255 58 D C 0.974 176.538 176.300 -1.227 0.000 1.185 58 D CA -0.369 53.200 54.000 -0.717 0.000 0.904 58 D CB 0.955 41.570 40.800 -0.308 0.000 1.102 58 D HN 0.549 nan 8.370 nan 0.000 0.534 59 K N 1.722 121.211 120.400 -1.519 0.000 2.362 59 K HA -0.211 4.110 4.320 0.001 0.000 0.202 59 K C 0.738 176.895 176.600 -0.738 0.000 1.045 59 K CA 1.420 56.891 56.287 -1.361 0.000 0.936 59 K CB -0.185 31.792 32.500 -0.872 0.000 0.747 59 K HN 0.407 nan 8.250 nan 0.000 0.467 60 H N 0.983 119.793 119.070 -0.433 0.000 2.372 60 H HA -0.038 4.519 4.556 0.001 0.000 0.301 60 H C 0.887 176.093 175.328 -0.203 0.000 1.065 60 H CA 1.511 57.408 56.048 -0.252 0.000 1.364 60 H CB 0.137 29.781 29.762 -0.196 0.000 1.406 60 H HN 0.639 nan 8.280 nan 0.000 0.521 61 D N -1.978 118.360 120.400 -0.104 0.000 2.503 61 D HA 0.023 4.664 4.640 0.001 0.000 0.218 61 D C 0.066 176.313 176.300 -0.088 0.000 1.183 61 D CA -0.168 53.785 54.000 -0.077 0.000 0.827 61 D CB -0.493 40.278 40.800 -0.049 0.000 1.034 61 D HN 0.352 nan 8.370 nan 0.000 0.510 62 N N -0.069 118.529 118.700 -0.170 0.000 2.828 62 N HA -0.197 4.544 4.740 0.001 0.000 0.248 62 N C -0.479 175.134 175.510 0.171 0.000 1.044 62 N CA 0.853 53.916 53.050 0.021 0.000 0.851 62 N CB -1.011 37.528 38.487 0.087 0.000 1.136 62 N HN 0.526 nan 8.380 nan 0.000 0.572 63 T N -2.122 112.464 114.554 0.054 0.000 2.788 63 T HA 0.583 4.933 4.350 0.001 0.000 0.287 63 T C 1.222 176.058 174.700 0.226 0.000 1.007 63 T CA 0.245 62.436 62.100 0.151 0.000 1.005 63 T CB 1.606 70.514 68.868 0.067 0.000 1.012 63 T HN 0.653 nan 8.240 nan 0.000 0.530 64 G N -0.060 108.884 108.800 0.241 0.000 2.601 64 G HA2 0.324 4.285 3.960 0.001 0.000 0.261 64 G HA3 0.324 4.285 3.960 0.001 0.000 0.261 64 G C 0.415 175.532 174.900 0.361 0.000 1.289 64 G CA 0.079 45.334 45.100 0.257 0.000 0.920 64 G HN 2.779 nan 8.290 nan 0.000 0.571 65 G N -2.940 106.047 108.800 0.313 0.000 2.756 65 G HA2 0.300 4.261 3.960 0.001 0.000 0.678 65 G HA3 0.300 4.261 3.960 0.001 0.000 0.678 65 G C 1.160 176.128 174.900 0.113 0.000 1.349 65 G CA 1.123 46.331 45.100 0.179 0.000 0.847 65 G HN 2.477 nan 8.290 nan 0.000 0.548 66 S N -1.039 114.698 115.700 0.061 0.000 2.481 66 S HA -0.081 4.390 4.470 0.001 0.000 0.231 66 S C 1.860 176.524 174.600 0.108 0.000 0.996 66 S CA 1.705 59.968 58.200 0.105 0.000 0.942 66 S CB -0.301 62.951 63.200 0.087 0.000 0.768 66 S HN 1.324 nan 8.310 nan 0.000 0.520 67 Y N 2.914 123.154 120.300 -0.100 0.000 2.069 67 Y HA -0.141 4.410 4.550 0.001 0.000 0.278 67 Y C 2.427 178.272 175.900 -0.091 0.000 1.175 67 Y CA 1.803 59.811 58.100 -0.154 0.000 1.134 67 Y CB -0.997 37.247 38.460 -0.360 0.000 0.965 67 Y HN 0.359 nan 8.280 nan 0.000 0.498 68 G N -1.465 107.392 108.800 0.094 0.000 2.679 68 G HA2 0.121 4.082 3.960 0.001 0.000 0.212 68 G HA3 0.121 4.082 3.960 0.001 0.000 0.212 68 G C 1.343 176.296 174.900 0.087 0.000 1.137 68 G CA 0.445 45.594 45.100 0.081 0.000 0.787 68 G HN 0.988 nan 8.290 nan 0.000 0.534 69 G N 0.205 109.079 108.800 0.123 0.000 2.203 69 G HA2 -0.350 3.611 3.960 0.001 0.000 0.263 69 G HA3 -0.350 3.611 3.960 0.001 0.000 0.263 69 G C 1.340 176.375 174.900 0.225 0.000 1.012 69 G CA 1.580 46.798 45.100 0.197 0.000 0.749 69 G HN 1.124 nan 8.290 nan 0.000 0.512 70 T N -3.022 111.687 114.554 0.259 0.000 2.897 70 T HA -0.280 4.071 4.350 0.001 0.000 0.271 70 T C 1.863 176.725 174.700 0.270 0.000 1.084 70 T CA 1.728 64.016 62.100 0.314 0.000 1.123 70 T CB -0.291 68.802 68.868 0.376 0.000 0.865 70 T HN 0.836 nan 8.240 nan 0.000 0.496 71 Y N 3.612 124.027 120.300 0.192 0.000 2.283 71 Y HA -0.253 4.298 4.550 0.001 0.000 0.285 71 Y C 2.525 178.491 175.900 0.110 0.000 1.176 71 Y CA 1.719 59.895 58.100 0.127 0.000 1.229 71 Y CB -0.430 38.005 38.460 -0.042 0.000 0.975 71 Y HN 0.338 nan 8.280 nan 0.000 0.537 72 R N -0.905 119.580 120.500 -0.025 0.000 2.285 72 R HA -0.087 4.254 4.340 0.001 0.000 0.213 72 R C -0.455 175.581 176.300 -0.440 0.000 1.068 72 R CA 0.442 56.377 56.100 -0.275 0.000 1.004 72 R CB -0.770 29.446 30.300 -0.139 0.000 0.873 72 R HN 0.201 nan 8.270 nan 0.000 0.467 73 F N 1.309 121.209 119.950 -0.083 0.000 2.397 73 F HA 0.304 4.832 4.527 0.002 0.000 0.331 73 F C 1.279 177.025 175.800 -0.091 0.000 1.090 73 F CA -1.250 56.703 58.000 -0.080 0.000 1.065 73 F CB 1.184 40.184 39.000 -0.000 0.000 1.184 73 F HN -0.340 nan 8.300 nan 0.000 0.499 74 K N 1.318 121.799 120.400 0.135 0.000 2.032 74 K HA -0.242 4.079 4.320 0.001 0.000 0.218 74 K C 2.005 178.672 176.600 0.110 0.000 1.054 74 K CA 1.565 57.904 56.287 0.086 0.000 0.941 74 K CB -0.372 32.160 32.500 0.052 0.000 0.720 74 K HN 0.570 nan 8.250 nan 0.000 0.449 75 K N 0.746 121.206 120.400 0.099 0.000 2.015 75 K HA -0.282 4.039 4.320 0.001 0.000 0.220 75 K C 2.165 178.821 176.600 0.092 0.000 1.055 75 K CA 2.347 58.682 56.287 0.080 0.000 0.951 75 K CB -0.253 32.287 32.500 0.066 0.000 0.725 75 K HN 0.314 nan 8.250 nan 0.000 0.449 76 E N -0.706 119.570 120.200 0.127 0.000 2.051 76 E HA -0.199 4.152 4.350 0.001 0.000 0.192 76 E C 2.012 178.672 176.600 0.100 0.000 0.991 76 E CA 1.235 57.718 56.400 0.138 0.000 0.799 76 E CB -0.234 29.588 29.700 0.203 0.000 0.748 76 E HN 0.356 nan 8.360 nan 0.000 0.449 77 F N 1.690 121.510 119.950 -0.216 0.000 2.161 77 F HA -0.146 4.382 4.527 0.001 0.000 0.300 77 F C 1.569 177.280 175.800 -0.148 0.000 1.089 77 F CA 1.319 59.060 58.000 -0.431 0.000 1.282 77 F CB 0.045 38.676 39.000 -0.616 0.000 1.010 77 F HN 0.048 nan 8.300 nan 0.000 0.485 78 N N 0.415 119.119 118.700 0.006 0.000 2.383 78 N HA -0.051 4.690 4.740 0.001 0.000 0.192 78 N C -0.312 175.189 175.510 -0.014 0.000 1.141 78 N CA 0.242 53.283 53.050 -0.015 0.000 0.851 78 N CB -0.701 37.817 38.487 0.051 0.000 0.976 78 N HN 0.256 nan 8.380 nan 0.000 0.465 79 D N 1.306 121.707 120.400 0.001 0.000 2.493 79 D HA 0.020 4.661 4.640 0.001 0.000 0.240 79 D C -1.417 174.889 176.300 0.010 0.000 1.142 79 D CA -1.605 52.407 54.000 0.019 0.000 0.872 79 D CB 1.380 42.203 40.800 0.038 0.000 1.173 79 D HN 0.000 nan 8.370 nan 0.000 0.467 80 P HA -0.110 nan 4.420 nan 0.000 0.216 80 P C 1.063 178.389 177.300 0.043 0.000 1.150 80 P CA 1.071 64.185 63.100 0.023 0.000 0.843 80 P CB 0.185 31.900 31.700 0.025 0.000 0.787 81 S N -0.979 114.752 115.700 0.052 0.000 2.507 81 S HA -0.052 4.419 4.470 0.001 0.000 0.235 81 S C 1.279 175.998 174.600 0.198 0.000 0.988 81 S CA 0.835 59.092 58.200 0.095 0.000 0.944 81 S CB -0.689 62.517 63.200 0.010 0.000 0.762 81 S HN 0.227 nan 8.310 nan 0.000 0.526 82 N N 1.328 120.104 118.700 0.127 0.000 2.235 82 N HA 0.308 5.049 4.740 0.001 0.000 0.209 82 N C 0.059 175.556 175.510 -0.021 0.000 1.122 82 N CA -0.035 53.080 53.050 0.108 0.000 0.845 82 N CB 0.180 38.737 38.487 0.117 0.000 1.004 82 N HN 0.317 nan 8.380 nan 0.000 0.499 83 A N -0.014 122.801 122.820 -0.009 0.000 2.567 83 A HA 0.412 4.733 4.320 0.001 0.000 0.240 83 A C 1.514 179.069 177.584 -0.048 0.000 1.053 83 A CA 0.978 52.992 52.037 -0.037 0.000 0.755 83 A CB -0.353 18.646 19.000 -0.002 0.000 0.978 83 A HN 0.470 nan 8.150 nan 0.000 0.507 84 G N 1.153 109.911 108.800 -0.069 0.000 2.258 84 G HA2 -0.265 3.696 3.960 0.001 0.000 0.233 84 G HA3 -0.265 3.696 3.960 0.001 0.000 0.233 84 G C 0.889 175.759 174.900 -0.050 0.000 1.006 84 G CA 0.396 45.457 45.100 -0.065 0.000 0.620 84 G HN 0.800 nan 8.290 nan 0.000 0.511 85 L N 2.063 123.234 121.223 -0.087 0.000 2.362 85 L HA -0.073 4.268 4.340 0.001 0.000 0.219 85 L C 3.172 180.061 176.870 0.032 0.000 1.134 85 L CA 1.655 56.441 54.840 -0.089 0.000 0.807 85 L CB -0.394 41.536 42.059 -0.214 0.000 0.927 85 L HN 0.601 nan 8.230 nan 0.000 0.447 86 Q N -0.246 119.553 119.800 -0.001 0.000 2.234 86 Q HA -0.210 4.131 4.340 0.001 0.000 0.206 86 Q C 1.258 177.431 176.000 0.288 0.000 0.980 86 Q CA 1.352 57.245 55.803 0.149 0.000 0.869 86 Q CB -0.703 28.046 28.738 0.017 0.000 0.912 86 Q HN 0.534 nan 8.270 nan 0.000 0.436 87 N N 1.258 120.072 118.700 0.190 0.000 2.188 87 N HA -0.072 4.669 4.740 0.001 0.000 0.184 87 N C 1.928 177.562 175.510 0.206 0.000 1.018 87 N CA 1.528 54.706 53.050 0.212 0.000 0.858 87 N CB -0.473 38.126 38.487 0.187 0.000 0.989 87 N HN 0.535 nan 8.380 nan 0.000 0.426 88 G N -0.074 108.818 108.800 0.152 0.000 2.430 88 G HA2 -0.176 3.785 3.960 0.001 0.000 0.216 88 G HA3 -0.176 3.785 3.960 0.001 0.000 0.216 88 G C 1.354 176.370 174.900 0.192 0.000 1.146 88 G CA -0.060 45.092 45.100 0.086 0.000 0.793 88 G HN 0.207 nan 8.290 nan 0.000 0.537 89 F N 1.884 121.925 119.950 0.151 0.000 2.051 89 F HA -0.023 4.505 4.527 0.001 0.000 0.296 89 F C 2.697 178.620 175.800 0.205 0.000 1.122 89 F CA 1.897 60.053 58.000 0.259 0.000 1.201 89 F CB -0.250 39.026 39.000 0.460 0.000 0.978 89 F HN 0.034 nan 8.300 nan 0.000 0.472 90 K N -0.617 119.981 120.400 0.329 0.000 2.113 90 K HA -0.258 4.063 4.320 0.001 0.000 0.208 90 K C 2.045 178.629 176.600 -0.027 0.000 1.047 90 K CA 2.051 58.414 56.287 0.127 0.000 0.928 90 K CB -0.774 31.836 32.500 0.183 0.000 0.716 90 K HN 0.370 nan 8.250 nan 0.000 0.446 91 F N 1.429 121.242 119.950 -0.229 0.000 2.126 91 F HA -0.159 4.369 4.527 0.001 0.000 0.299 91 F C 1.598 177.210 175.800 -0.312 0.000 1.096 91 F CA 1.399 59.136 58.000 -0.438 0.000 1.255 91 F CB -0.052 38.497 39.000 -0.752 0.000 0.997 91 F HN -0.101 nan 8.300 nan 0.000 0.479 92 L N -0.160 121.081 121.223 0.030 0.000 2.240 92 L HA -0.118 4.223 4.340 0.001 0.000 0.211 92 L C 2.407 179.162 176.870 -0.193 0.000 1.106 92 L CA 1.040 55.847 54.840 -0.056 0.000 0.793 92 L CB -0.817 41.262 42.059 0.033 0.000 0.927 92 L HN 0.219 nan 8.230 nan 0.000 0.446 93 E N 1.000 121.033 120.200 -0.278 0.000 2.068 93 E HA -0.252 4.099 4.350 0.001 0.000 0.207 93 E C -0.637 175.866 176.600 -0.162 0.000 1.032 93 E CA 2.047 58.288 56.400 -0.264 0.000 0.839 93 E CB -0.701 28.828 29.700 -0.285 0.000 0.758 93 E HN 0.327 nan 8.360 nan 0.000 0.457 94 P HA -0.119 nan 4.420 nan 0.000 0.222 94 P C 1.357 178.579 177.300 -0.131 0.000 1.147 94 P CA 1.098 64.100 63.100 -0.163 0.000 0.790 94 P CB -0.092 31.482 31.700 -0.210 0.000 0.780 95 I N -1.075 119.417 120.570 -0.130 0.000 2.286 95 I HA -0.200 3.971 4.170 0.001 0.000 0.245 95 I C 2.748 178.914 176.117 0.081 0.000 1.104 95 I CA 1.239 62.519 61.300 -0.033 0.000 1.397 95 I CB -0.735 37.208 38.000 -0.095 0.000 1.072 95 I HN 0.026 nan 8.210 nan 0.000 0.417 96 H N 0.868 119.858 119.070 -0.134 0.000 2.387 96 H HA -0.143 4.414 4.556 0.001 0.000 0.299 96 H C 2.176 177.413 175.328 -0.151 0.000 1.090 96 H CA 1.077 57.028 56.048 -0.162 0.000 1.332 96 H CB 0.317 29.959 29.762 -0.200 0.000 1.386 96 H HN 0.184 nan 8.280 nan 0.000 0.516 97 K N 0.443 120.802 120.400 -0.069 0.000 2.057 97 K HA -0.181 4.140 4.320 0.001 0.000 0.207 97 K C 2.107 178.600 176.600 -0.179 0.000 1.049 97 K CA 1.436 57.635 56.287 -0.147 0.000 0.931 97 K CB -0.010 32.410 32.500 -0.133 0.000 0.714 97 K HN 0.368 nan 8.250 nan 0.000 0.440 98 E N -0.583 119.497 120.200 -0.201 0.000 2.153 98 E HA -0.119 4.232 4.350 0.001 0.000 0.194 98 E C -0.317 175.870 176.600 -0.688 0.000 0.988 98 E CA 0.904 57.030 56.400 -0.458 0.000 0.811 98 E CB 0.230 29.586 29.700 -0.573 0.000 0.746 98 E HN 0.112 nan 8.360 nan 0.000 0.466 99 F N -0.547 119.267 119.950 -0.227 0.000 2.622 99 F HA 0.277 4.805 4.527 0.001 0.000 0.338 99 F C -2.005 173.450 175.800 -0.576 0.000 1.334 99 F CA -2.071 55.662 58.000 -0.444 0.000 1.179 99 F CB 1.431 40.031 39.000 -0.667 0.000 1.471 99 F HN -0.052 nan 8.300 nan 0.000 0.576 100 P HA -0.158 nan 4.420 nan 0.000 0.228 100 P C 1.335 178.575 177.300 -0.099 0.000 1.151 100 P CA 1.206 64.179 63.100 -0.212 0.000 0.770 100 P CB -0.136 31.470 31.700 -0.158 0.000 0.786 101 W N -1.068 120.265 121.300 0.055 0.000 3.180 101 W HA 0.304 4.964 4.660 0.001 0.000 0.254 101 W C 0.371 176.952 176.519 0.103 0.000 1.318 101 W CA -0.640 56.738 57.345 0.055 0.000 1.608 101 W CB -1.011 28.469 29.460 0.033 0.000 1.124 101 W HN -0.105 nan 8.180 nan 0.000 0.694 102 I N 3.592 123.999 120.570 -0.270 0.000 2.472 102 I HA 0.087 4.258 4.170 0.001 0.000 0.290 102 I C 1.071 177.237 176.117 0.082 0.000 1.016 102 I CA -0.194 61.031 61.300 -0.125 0.000 1.348 102 I CB 1.254 38.932 38.000 -0.537 0.000 1.417 102 I HN -0.109 nan 8.210 nan 0.000 0.521 103 S N 4.144 119.914 115.700 0.117 0.000 2.614 103 S HA 0.176 4.647 4.470 0.001 0.000 0.265 103 S C 0.990 175.486 174.600 -0.174 0.000 1.303 103 S CA -0.426 57.786 58.200 0.020 0.000 1.000 103 S CB 1.545 64.739 63.200 -0.010 0.000 0.935 103 S HN 0.725 nan 8.310 nan 0.000 0.551 104 S N 1.654 117.211 115.700 -0.239 0.000 2.348 104 S HA -0.014 4.457 4.470 0.001 0.000 0.221 104 S C 2.190 176.347 174.600 -0.738 0.000 1.033 104 S CA 1.341 59.164 58.200 -0.627 0.000 1.010 104 S CB -1.300 61.648 63.200 -0.420 0.000 0.891 104 S HN 0.957 nan 8.310 nan 0.000 0.442 105 G N 1.828 110.451 108.800 -0.296 0.000 2.440 105 G HA2 -0.259 3.702 3.960 0.001 0.000 0.218 105 G HA3 -0.259 3.702 3.960 0.001 0.000 0.218 105 G C 1.009 175.898 174.900 -0.019 0.000 1.154 105 G CA 1.242 46.289 45.100 -0.087 0.000 0.767 105 G HN 0.388 nan 8.290 nan 0.000 0.552 106 D N -0.102 120.301 120.400 0.004 0.000 2.144 106 D HA -0.082 4.559 4.640 0.001 0.000 0.199 106 D C 2.347 178.734 176.300 0.145 0.000 0.984 106 D CA 0.543 54.702 54.000 0.266 0.000 0.834 106 D CB -0.260 40.803 40.800 0.439 0.000 0.955 106 D HN 0.286 nan 8.370 nan 0.000 0.465 107 L N -0.242 120.870 121.223 -0.186 0.000 2.072 107 L HA -0.066 4.275 4.340 0.001 0.000 0.205 107 L C 1.849 178.644 176.870 -0.125 0.000 1.079 107 L CA 1.361 56.014 54.840 -0.311 0.000 0.752 107 L CB -0.461 41.223 42.059 -0.626 0.000 0.906 107 L HN -0.149 nan 8.230 nan 0.000 0.436 108 F N -0.012 119.913 119.950 -0.042 0.000 2.146 108 F HA -0.137 4.391 4.527 0.001 0.000 0.298 108 F C 2.906 178.717 175.800 0.018 0.000 1.096 108 F CA 1.107 59.104 58.000 -0.005 0.000 1.275 108 F CB -1.681 37.341 39.000 0.037 0.000 1.008 108 F HN 0.339 nan 8.300 nan 0.000 0.480 109 S N 0.153 116.014 115.700 0.267 0.000 2.387 109 S HA -0.131 4.340 4.470 0.001 0.000 0.226 109 S C 2.014 176.680 174.600 0.109 0.000 1.026 109 S CA 0.835 59.178 58.200 0.238 0.000 0.972 109 S CB -1.033 62.371 63.200 0.341 0.000 0.814 109 S HN 0.252 nan 8.310 nan 0.000 0.477 110 L N 2.923 124.094 121.223 -0.086 0.000 2.083 110 L HA 0.184 4.525 4.340 0.001 0.000 0.209 110 L C 2.384 179.101 176.870 -0.256 0.000 1.083 110 L CA 1.830 56.386 54.840 -0.473 0.000 0.752 110 L CB -1.465 40.176 42.059 -0.698 0.000 0.899 110 L HN 0.401 nan 8.230 nan 0.000 0.433 111 G N -1.127 107.592 108.800 -0.134 0.000 2.422 111 G HA2 -0.205 3.756 3.960 0.001 0.000 0.218 111 G HA3 -0.205 3.756 3.960 0.001 0.000 0.218 111 G C 1.501 176.375 174.900 -0.043 0.000 1.146 111 G CA 0.584 45.621 45.100 -0.104 0.000 0.769 111 G HN 0.585 nan 8.290 nan 0.000 0.547 112 G N 0.331 109.180 108.800 0.082 0.000 2.402 112 G HA2 -0.102 3.858 3.960 0.001 0.000 0.216 112 G HA3 -0.102 3.858 3.960 0.001 0.000 0.216 112 G C 1.760 176.812 174.900 0.254 0.000 1.162 112 G CA 1.088 46.325 45.100 0.228 0.000 0.777 112 G HN 0.301 nan 8.290 nan 0.000 0.539 113 V N 1.123 121.181 119.914 0.240 0.000 2.343 113 V HA -0.179 3.942 4.120 0.001 0.000 0.247 113 V C 3.168 179.328 176.094 0.110 0.000 1.051 113 V CA 2.349 64.796 62.300 0.244 0.000 1.036 113 V CB -0.845 31.105 31.823 0.213 0.000 0.654 113 V HN 0.387 nan 8.190 nan 0.000 0.451 114 T N 0.321 114.843 114.554 -0.054 0.000 2.777 114 T HA -0.131 4.219 4.350 0.001 0.000 0.266 114 T C 2.087 176.669 174.700 -0.197 0.000 1.040 114 T CA 1.522 63.453 62.100 -0.283 0.000 1.141 114 T CB -0.431 68.055 68.868 -0.636 0.000 0.868 114 T HN 0.566 nan 8.240 nan 0.000 0.444 115 A N 1.199 123.939 122.820 -0.132 0.000 1.865 115 A HA -0.086 4.235 4.320 0.001 0.000 0.217 115 A C 2.605 180.135 177.584 -0.091 0.000 1.191 115 A CA 1.624 53.599 52.037 -0.103 0.000 0.623 115 A CB -1.190 17.766 19.000 -0.074 0.000 0.826 115 A HN 0.335 nan 8.150 nan 0.000 0.444 116 V N 0.149 119.996 119.914 -0.111 0.000 2.287 116 V HA -0.359 3.762 4.120 0.001 0.000 0.248 116 V C 2.703 178.632 176.094 -0.274 0.000 1.053 116 V CA 2.424 64.557 62.300 -0.279 0.000 1.027 116 V CB -1.010 30.556 31.823 -0.428 0.000 0.646 116 V HN 0.666 nan 8.190 nan 0.000 0.447 117 Q N -0.748 118.978 119.800 -0.124 0.000 2.079 117 Q HA -0.184 4.157 4.340 0.001 0.000 0.200 117 Q C 2.242 178.245 176.000 0.006 0.000 0.974 117 Q CA 1.209 56.989 55.803 -0.038 0.000 0.840 117 Q CB -0.202 28.618 28.738 0.137 0.000 0.898 117 Q HN 0.572 nan 8.270 nan 0.000 0.430 118 E N 0.285 120.487 120.200 0.003 0.000 2.347 118 E HA -0.048 4.303 4.350 0.001 0.000 0.196 118 E C 1.268 177.877 176.600 0.015 0.000 1.008 118 E CA 0.736 57.146 56.400 0.017 0.000 0.852 118 E CB 0.069 29.753 29.700 -0.027 0.000 0.783 118 E HN 0.429 nan 8.360 nan 0.000 0.505 119 M N -0.160 119.436 119.600 -0.007 0.000 2.530 119 M HA 0.033 4.514 4.480 0.001 0.000 0.231 119 M C -0.176 176.157 176.300 0.055 0.000 1.180 119 M CA 0.287 55.606 55.300 0.031 0.000 0.985 119 M CB 0.159 32.788 32.600 0.048 0.000 1.623 119 M HN -0.055 nan 8.290 nan 0.000 0.475 120 Q N -1.609 118.206 119.800 0.025 0.000 2.429 120 Q HA -0.135 4.206 4.340 0.001 0.000 0.232 120 Q C 0.552 176.541 176.000 -0.018 0.000 0.724 120 Q CA 0.372 56.206 55.803 0.052 0.000 1.287 120 Q CB -2.049 26.759 28.738 0.116 0.000 1.429 120 Q HN 0.749 nan 8.270 nan 0.000 0.721 121 G N 0.971 109.616 108.800 -0.259 0.000 2.525 121 G HA2 0.462 4.423 3.960 0.001 0.000 0.276 121 G HA3 0.462 4.423 3.960 0.001 0.000 0.276 121 G C -2.134 172.331 174.900 -0.725 0.000 1.388 121 G CA -0.445 44.161 45.100 -0.823 0.000 1.050 121 G HN 0.079 nan 8.290 nan 0.000 0.520 122 P HA 0.321 nan 4.420 nan 0.000 0.281 122 P C -0.848 176.304 177.300 -0.246 0.000 1.281 122 P CA -0.772 62.056 63.100 -0.452 0.000 0.811 122 P CB 0.940 32.399 31.700 -0.402 0.000 1.154 123 K N 0.905 121.252 120.400 -0.088 0.000 2.322 123 K HA 0.342 4.662 4.320 0.001 0.000 0.283 123 K C -0.013 176.588 176.600 0.001 0.000 1.042 123 K CA -0.291 55.986 56.287 -0.017 0.000 0.958 123 K CB -0.005 32.498 32.500 0.005 0.000 0.984 123 K HN 0.404 nan 8.250 nan 0.000 0.473 124 I N 5.900 126.509 120.570 0.065 0.000 2.359 124 I HA 0.231 4.402 4.170 0.001 0.000 0.284 124 I C -2.237 173.965 176.117 0.142 0.000 1.018 124 I CA -2.788 58.584 61.300 0.120 0.000 1.173 124 I CB 1.086 39.227 38.000 0.235 0.000 1.326 124 I HN 0.127 nan 8.210 nan 0.000 0.462 125 P HA 0.047 nan 4.420 nan 0.000 0.268 125 P C -0.979 176.386 177.300 0.108 0.000 1.204 125 P CA 0.163 63.280 63.100 0.028 0.000 0.768 125 P CB 0.562 32.222 31.700 -0.066 0.000 0.842 126 W N 4.323 125.560 121.300 -0.105 0.000 2.915 126 W HA 0.507 5.168 4.660 0.002 0.000 0.337 126 W C -1.018 175.361 176.519 -0.233 0.000 1.102 126 W CA -0.721 56.583 57.345 -0.068 0.000 1.224 126 W CB 1.760 31.332 29.460 0.187 0.000 1.416 126 W HN 0.205 nan 8.180 nan 0.000 0.503 127 R N 4.244 124.037 120.500 -1.179 0.000 2.562 127 R HA 0.577 4.918 4.340 0.001 0.000 0.298 127 R C -0.169 175.017 176.300 -1.856 0.000 0.961 127 R CA -0.735 54.537 56.100 -1.380 0.000 0.881 127 R CB 1.216 30.791 30.300 -1.209 0.000 1.159 127 R HN 0.669 nan 8.270 nan 0.000 0.450 128 C N -0.577 117.848 119.300 -1.459 0.000 2.345 128 C HA 0.922 5.383 4.460 0.001 0.000 0.369 128 C C 1.359 176.177 174.990 -0.288 0.000 1.273 128 C CA 0.468 58.908 59.018 -0.963 0.000 2.310 128 C CB 0.586 27.922 27.740 -0.673 0.000 2.219 128 C HN 1.035 nan 8.230 nan 0.000 0.587 129 G N 0.226 109.000 108.800 -0.044 0.000 2.227 129 G HA2 -0.089 3.872 3.960 0.001 0.000 0.168 129 G HA3 -0.089 3.872 3.960 0.001 0.000 0.168 129 G C 0.026 174.905 174.900 -0.035 0.000 1.006 129 G CA -0.359 44.766 45.100 0.042 0.000 0.684 129 G HN 0.932 nan 8.290 nan 0.000 0.489 130 R N 0.033 120.463 120.500 -0.115 0.000 2.643 130 R HA 0.515 4.856 4.340 0.001 0.000 0.270 130 R C -0.237 175.752 176.300 -0.519 0.000 1.061 130 R CA 0.048 55.908 56.100 -0.401 0.000 1.107 130 R CB 1.316 31.471 30.300 -0.242 0.000 0.999 130 R HN 0.083 nan 8.270 nan 0.000 0.460 131 V N 2.267 121.523 119.914 -1.096 0.000 2.540 131 V HA 0.101 4.222 4.120 0.001 0.000 0.302 131 V C -0.608 175.245 176.094 -0.401 0.000 1.035 131 V CA -1.019 60.940 62.300 -0.567 0.000 0.873 131 V CB 1.977 33.598 31.823 -0.336 0.000 0.992 131 V HN 0.664 nan 8.190 nan 0.000 0.428 132 D N 3.085 123.397 120.400 -0.147 0.000 2.458 132 D HA 0.366 5.007 4.640 0.001 0.000 0.243 132 D C 0.537 176.874 176.300 0.062 0.000 1.146 132 D CA 0.509 54.487 54.000 -0.037 0.000 0.877 132 D CB 0.951 41.750 40.800 -0.002 0.000 1.176 132 D HN 0.802 nan 8.370 nan 0.000 0.461 133 T N -0.544 114.101 114.554 0.152 0.000 2.942 133 T HA 0.706 5.056 4.350 0.001 0.000 0.289 133 T C -2.643 172.256 174.700 0.331 0.000 1.044 133 T CA -2.195 60.042 62.100 0.228 0.000 1.023 133 T CB 1.698 70.718 68.868 0.255 0.000 1.123 133 T HN -0.045 nan 8.240 nan 0.000 0.512 134 P HA 0.235 nan 4.420 nan 0.000 0.272 134 P C 0.869 178.114 177.300 -0.093 0.000 1.240 134 P CA -0.398 62.797 63.100 0.157 0.000 0.791 134 P CB 0.469 32.199 31.700 0.051 0.000 0.978 135 E N 0.954 120.739 120.200 -0.692 0.000 2.147 135 E HA -0.279 4.072 4.350 0.001 0.000 0.199 135 E C 1.043 177.292 176.600 -0.585 0.000 1.005 135 E CA 1.682 57.202 56.400 -1.467 0.000 0.810 135 E CB -0.148 28.818 29.700 -1.223 0.000 0.736 135 E HN 0.511 nan 8.360 nan 0.000 0.460 136 D N -0.785 119.450 120.400 -0.276 0.000 2.371 136 D HA -0.112 4.529 4.640 0.001 0.000 0.221 136 D C 1.494 177.777 176.300 -0.030 0.000 0.986 136 D CA 1.306 55.234 54.000 -0.120 0.000 0.899 136 D CB -0.218 40.537 40.800 -0.075 0.000 0.902 136 D HN 0.219 nan 8.370 nan 0.000 0.530 137 T N -2.559 112.006 114.554 0.018 0.000 3.107 137 T HA 0.043 4.394 4.350 0.001 0.000 0.249 137 T C 0.753 175.533 174.700 0.134 0.000 1.096 137 T CA -0.327 61.836 62.100 0.105 0.000 1.012 137 T CB -0.434 68.536 68.868 0.171 0.000 0.977 137 T HN -0.139 nan 8.240 nan 0.000 0.527 138 T N 5.618 120.233 114.554 0.102 0.000 2.769 138 T HA 0.301 4.652 4.350 0.001 0.000 0.293 138 T C -2.433 172.332 174.700 0.108 0.000 0.931 138 T CA -0.929 61.262 62.100 0.152 0.000 1.139 138 T CB 0.722 69.675 68.868 0.142 0.000 0.881 138 T HN 0.286 nan 8.240 nan 0.000 0.532 139 P HA 0.133 nan 4.420 nan 0.000 0.269 139 P C 0.023 177.365 177.300 0.070 0.000 1.215 139 P CA -0.375 62.779 63.100 0.089 0.000 0.780 139 P CB 0.635 32.392 31.700 0.096 0.000 0.898 140 D N 1.125 121.555 120.400 0.049 0.000 2.360 140 D HA 0.086 4.727 4.640 0.001 0.000 0.242 140 D C 0.312 176.637 176.300 0.042 0.000 1.184 140 D CA 0.099 54.124 54.000 0.041 0.000 0.930 140 D CB 0.506 41.324 40.800 0.029 0.000 1.161 140 D HN 0.331 nan 8.370 nan 0.000 0.447 141 N N -0.514 118.210 118.700 0.039 0.000 2.415 141 N HA 0.279 5.020 4.740 0.001 0.000 0.248 141 N C 1.132 176.662 175.510 0.033 0.000 1.271 141 N CA 0.378 53.448 53.050 0.034 0.000 0.913 141 N CB 0.884 39.390 38.487 0.032 0.000 1.129 141 N HN 0.698 nan 8.380 nan 0.000 0.444 142 G N -0.079 108.740 108.800 0.031 0.000 2.184 142 G HA2 -0.238 3.723 3.960 0.001 0.000 0.206 142 G HA3 -0.238 3.723 3.960 0.001 0.000 0.206 142 G C 0.817 175.758 174.900 0.069 0.000 0.995 142 G CA -0.206 44.922 45.100 0.047 0.000 0.651 142 G HN 0.543 nan 8.290 nan 0.000 0.511 143 R N -0.496 120.037 120.500 0.056 0.000 2.280 143 R HA 0.332 4.673 4.340 0.001 0.000 0.195 143 R C 0.927 177.328 176.300 0.169 0.000 0.935 143 R CA 0.069 56.224 56.100 0.092 0.000 1.033 143 R CB 0.218 30.546 30.300 0.047 0.000 0.964 143 R HN 0.383 nan 8.270 nan 0.000 0.489 144 L N 2.855 124.100 121.223 0.036 0.000 2.375 144 L HA 0.315 4.656 4.340 0.001 0.000 0.271 144 L C -1.962 174.853 176.870 -0.092 0.000 1.107 144 L CA -2.220 52.562 54.840 -0.097 0.000 0.806 144 L CB 0.643 42.465 42.059 -0.393 0.000 1.146 144 L HN -0.145 nan 8.230 nan 0.000 0.447 145 P HA 0.164 nan 4.420 nan 0.000 0.277 145 P C -1.324 175.943 177.300 -0.054 0.000 1.240 145 P CA -0.512 62.367 63.100 -0.369 0.000 0.798 145 P CB 0.809 32.010 31.700 -0.831 0.000 0.979 146 D N 0.230 120.632 120.400 0.003 0.000 2.283 146 D HA 0.321 4.962 4.640 0.001 0.000 0.248 146 D C 0.900 177.138 176.300 -0.104 0.000 1.072 146 D CA -0.387 53.565 54.000 -0.079 0.000 0.929 146 D CB 1.222 41.901 40.800 -0.202 0.000 1.182 146 D HN 0.337 nan 8.370 nan 0.000 0.433 147 A N 1.096 123.894 122.820 -0.038 0.000 2.195 147 A HA -0.033 4.288 4.320 0.001 0.000 0.210 147 A C 0.725 178.285 177.584 -0.040 0.000 1.165 147 A CA 0.099 52.092 52.037 -0.073 0.000 0.806 147 A CB 0.035 18.886 19.000 -0.249 0.000 0.847 147 A HN 0.485 nan 8.150 nan 0.000 0.482 148 D N -0.472 119.929 120.400 0.003 0.000 2.690 148 D HA 0.304 4.945 4.640 0.001 0.000 0.236 148 D C 0.173 176.454 176.300 -0.032 0.000 1.218 148 D CA 0.077 54.104 54.000 0.044 0.000 0.829 148 D CB 0.136 40.978 40.800 0.069 0.000 1.009 148 D HN 0.030 nan 8.370 nan 0.000 0.482 149 K N 0.234 120.584 120.400 -0.084 0.000 2.208 149 K HA 0.473 4.794 4.320 0.001 0.000 0.240 149 K C -0.323 176.335 176.600 0.096 0.000 1.088 149 K CA -0.734 55.509 56.287 -0.074 0.000 0.902 149 K CB 0.951 33.230 32.500 -0.368 0.000 1.355 149 K HN 0.070 nan 8.250 nan 0.000 0.526 150 D N -1.369 119.132 120.400 0.168 0.000 2.621 150 D HA 0.372 5.013 4.640 0.001 0.000 0.255 150 D C 0.507 176.982 176.300 0.292 0.000 1.122 150 D CA -0.544 53.587 54.000 0.219 0.000 1.096 150 D CB 0.298 41.211 40.800 0.188 0.000 1.282 150 D HN 0.346 nan 8.370 nan 0.000 0.619 151 A N -0.300 122.687 122.820 0.278 0.000 1.997 151 A HA -0.049 4.272 4.320 0.001 0.000 0.221 151 A C 2.004 179.778 177.584 0.315 0.000 1.172 151 A CA 2.501 54.753 52.037 0.357 0.000 0.645 151 A CB -1.582 17.580 19.000 0.271 0.000 0.813 151 A HN 0.678 nan 8.150 nan 0.000 0.454 152 G N -2.049 106.891 108.800 0.234 0.000 2.403 152 G HA2 -0.184 3.777 3.960 0.001 0.000 0.216 152 G HA3 -0.184 3.777 3.960 0.001 0.000 0.216 152 G C 1.501 176.550 174.900 0.249 0.000 1.154 152 G CA 1.125 46.340 45.100 0.191 0.000 0.784 152 G HN 0.618 nan 8.290 nan 0.000 0.538 153 Y N 1.439 121.850 120.300 0.186 0.000 2.114 153 Y HA -0.168 4.382 4.550 0.001 0.000 0.284 153 Y C 2.825 178.897 175.900 0.287 0.000 1.143 153 Y CA 1.901 60.121 58.100 0.200 0.000 1.135 153 Y CB -0.451 38.105 38.460 0.160 0.000 0.980 153 Y HN 0.019 nan 8.280 nan 0.000 0.499 154 V N 1.298 121.487 119.914 0.458 0.000 2.324 154 V HA -0.378 3.742 4.120 0.001 0.000 0.250 154 V C 2.568 178.989 176.094 0.545 0.000 1.060 154 V CA 2.445 65.048 62.300 0.505 0.000 1.042 154 V CB -0.854 31.279 31.823 0.517 0.000 0.650 154 V HN 0.405 nan 8.190 nan 0.000 0.450 155 R N -0.447 120.325 120.500 0.454 0.000 2.070 155 R HA -0.162 4.179 4.340 0.001 0.000 0.233 155 R C 2.472 178.920 176.300 0.247 0.000 1.137 155 R CA 2.156 58.478 56.100 0.370 0.000 0.945 155 R CB -0.525 29.895 30.300 0.200 0.000 0.845 155 R HN 0.521 nan 8.270 nan 0.000 0.430 156 T N 0.693 115.341 114.554 0.156 0.000 2.708 156 T HA -0.163 4.188 4.350 0.001 0.000 0.266 156 T C 1.335 176.038 174.700 0.004 0.000 1.037 156 T CA 1.553 63.690 62.100 0.062 0.000 1.146 156 T CB -0.389 68.498 68.868 0.032 0.000 0.865 156 T HN 0.279 nan 8.240 nan 0.000 0.435 157 F N 1.225 121.054 119.950 -0.202 0.000 2.046 157 F HA -0.130 4.398 4.527 0.001 0.000 0.297 157 F C 1.772 177.496 175.800 -0.128 0.000 1.123 157 F CA 1.377 59.201 58.000 -0.293 0.000 1.199 157 F CB -0.606 38.078 39.000 -0.525 0.000 0.972 157 F HN 0.101 nan 8.300 nan 0.000 0.474 158 F N 0.639 120.661 119.950 0.121 0.000 2.250 158 F HA -0.212 4.316 4.527 0.001 0.000 0.301 158 F C 2.546 178.322 175.800 -0.040 0.000 1.077 158 F CA 1.407 59.451 58.000 0.073 0.000 1.348 158 F CB -0.842 38.303 39.000 0.243 0.000 1.040 158 F HN 0.083 nan 8.300 nan 0.000 0.509 159 Q N 0.117 119.984 119.800 0.113 0.000 2.226 159 Q HA -0.196 4.145 4.340 0.001 0.000 0.204 159 Q C 2.330 178.295 176.000 -0.059 0.000 0.975 159 Q CA 0.998 56.831 55.803 0.050 0.000 0.866 159 Q CB -0.452 28.310 28.738 0.039 0.000 0.915 159 Q HN 0.390 nan 8.270 nan 0.000 0.440 160 R N 0.116 120.502 120.500 -0.189 0.000 2.241 160 R HA -0.057 4.284 4.340 0.001 0.000 0.224 160 R C 1.272 177.429 176.300 -0.238 0.000 1.101 160 R CA 0.629 56.557 56.100 -0.286 0.000 0.995 160 R CB 0.088 30.152 30.300 -0.394 0.000 0.870 160 R HN 0.210 nan 8.270 nan 0.000 0.463 161 L N 0.050 121.245 121.223 -0.046 0.000 2.769 161 L HA 0.169 4.509 4.340 0.001 0.000 0.240 161 L C 0.135 177.198 176.870 0.320 0.000 1.163 161 L CA -0.265 54.730 54.840 0.258 0.000 0.962 161 L CB 0.185 42.438 42.059 0.322 0.000 1.258 161 L HN 0.163 nan 8.230 nan 0.000 0.513 162 N N 0.832 119.636 118.700 0.172 0.000 2.741 162 N HA -0.141 4.600 4.740 0.001 0.000 0.250 162 N C -0.331 175.273 175.510 0.156 0.000 1.115 162 N CA 0.929 54.076 53.050 0.161 0.000 0.724 162 N CB -0.331 38.288 38.487 0.220 0.000 1.090 162 N HN 0.219 nan 8.380 nan 0.000 0.558 163 M N 0.900 120.611 119.600 0.186 0.000 2.336 163 M HA 0.270 4.750 4.480 0.001 0.000 0.342 163 M C 0.841 177.218 176.300 0.128 0.000 1.128 163 M CA -0.564 54.827 55.300 0.152 0.000 1.016 163 M CB 1.514 34.225 32.600 0.185 0.000 1.665 163 M HN 0.146 nan 8.290 nan 0.000 0.445 164 N N 1.345 120.100 118.700 0.091 0.000 2.476 164 N HA 0.213 4.954 4.740 0.001 0.000 0.287 164 N C 0.146 175.726 175.510 0.117 0.000 1.262 164 N CA -0.329 52.780 53.050 0.097 0.000 0.980 164 N CB 0.354 38.885 38.487 0.073 0.000 1.163 164 N HN 0.365 nan 8.380 nan 0.000 0.592 165 D N -0.364 120.127 120.400 0.151 0.000 2.116 165 D HA -0.214 4.427 4.640 0.001 0.000 0.193 165 D C 1.751 178.160 176.300 0.181 0.000 0.998 165 D CA 1.550 55.703 54.000 0.254 0.000 0.836 165 D CB -0.243 40.679 40.800 0.202 0.000 0.951 165 D HN 0.689 nan 8.370 nan 0.000 0.449 166 R N 1.015 121.588 120.500 0.120 0.000 2.091 166 R HA -0.160 4.181 4.340 0.001 0.000 0.238 166 R C 1.952 178.331 176.300 0.132 0.000 1.136 166 R CA 1.549 57.721 56.100 0.120 0.000 0.959 166 R CB -0.026 30.337 30.300 0.104 0.000 0.856 166 R HN 0.230 nan 8.270 nan 0.000 0.437 167 E N -0.166 120.075 120.200 0.068 0.000 2.077 167 E HA -0.152 4.199 4.350 0.001 0.000 0.193 167 E C 2.063 178.594 176.600 -0.115 0.000 0.989 167 E CA 1.461 57.865 56.400 0.007 0.000 0.800 167 E CB -0.003 29.695 29.700 -0.004 0.000 0.746 167 E HN 0.163 nan 8.360 nan 0.000 0.452 168 V N 1.156 120.938 119.914 -0.220 0.000 2.287 168 V HA -0.244 3.877 4.120 0.001 0.000 0.248 168 V C 2.332 178.213 176.094 -0.356 0.000 1.053 168 V CA 1.499 63.473 62.300 -0.543 0.000 1.027 168 V CB -0.358 31.169 31.823 -0.494 0.000 0.646 168 V HN 0.142 nan 8.190 nan 0.000 0.447 169 V N 0.088 119.926 119.914 -0.128 0.000 2.453 169 V HA -0.163 3.958 4.120 0.001 0.000 0.247 169 V C 2.625 178.919 176.094 0.334 0.000 1.048 169 V CA 1.704 64.046 62.300 0.070 0.000 1.049 169 V CB -1.060 30.846 31.823 0.138 0.000 0.672 169 V HN 0.542 nan 8.190 nan 0.000 0.457 170 A N -0.008 123.024 122.820 0.352 0.000 1.873 170 A HA -0.107 4.214 4.320 0.001 0.000 0.215 170 A C 2.219 180.068 177.584 0.442 0.000 1.186 170 A CA 1.545 53.848 52.037 0.443 0.000 0.616 170 A CB -0.523 18.643 19.000 0.277 0.000 0.823 170 A HN 0.473 nan 8.150 nan 0.000 0.442 171 L N -1.769 119.521 121.223 0.111 0.000 2.079 171 L HA -0.200 4.141 4.340 0.001 0.000 0.210 171 L C 2.716 179.523 176.870 -0.104 0.000 1.081 171 L CA 1.685 56.524 54.840 -0.003 0.000 0.752 171 L CB -0.385 41.526 42.059 -0.246 0.000 0.896 171 L HN 0.414 nan 8.230 nan 0.000 0.433 172 M N 0.003 119.441 119.600 -0.270 0.000 2.358 172 M HA -0.067 4.414 4.480 0.001 0.000 0.264 172 M C 1.887 177.588 176.300 -0.998 0.000 1.064 172 M CA 1.213 56.148 55.300 -0.608 0.000 1.093 172 M CB -0.504 31.826 32.600 -0.451 0.000 1.401 172 M HN 0.157 nan 8.290 nan 0.000 0.440 173 G N -0.956 107.515 108.800 -0.549 0.000 2.586 173 G HA2 -0.055 3.906 3.960 0.001 0.000 0.215 173 G HA3 -0.055 3.906 3.960 0.001 0.000 0.215 173 G C 1.424 175.926 174.900 -0.664 0.000 1.128 173 G CA 0.711 45.314 45.100 -0.829 0.000 0.774 173 G HN 0.602 nan 8.290 nan 0.000 0.543 174 A N -0.146 122.403 122.820 -0.451 0.000 2.168 174 A HA 0.049 4.369 4.320 0.001 0.000 0.215 174 A C 1.753 179.153 177.584 -0.306 0.000 1.152 174 A CA 0.831 52.662 52.037 -0.343 0.000 0.716 174 A CB -0.615 18.329 19.000 -0.094 0.000 0.794 174 A HN 0.601 nan 8.150 nan 0.000 0.465 175 H N -0.987 117.705 119.070 -0.631 0.000 2.561 175 H HA 0.046 4.603 4.556 0.001 0.000 0.278 175 H C 2.223 177.375 175.328 -0.293 0.000 1.014 175 H CA 0.206 55.963 56.048 -0.485 0.000 1.211 175 H CB 0.195 29.611 29.762 -0.575 0.000 1.365 175 H HN 0.603 nan 8.280 nan 0.000 0.594 176 A N 0.872 123.549 122.820 -0.240 0.000 2.015 176 A HA -0.014 4.307 4.320 0.001 0.000 0.219 176 A C 1.032 178.534 177.584 -0.137 0.000 1.163 176 A CA 0.409 52.357 52.037 -0.148 0.000 0.646 176 A CB -0.214 18.632 19.000 -0.257 0.000 0.806 176 A HN 0.179 nan 8.150 nan 0.000 0.448 177 L N -1.406 119.733 121.223 -0.140 0.000 2.418 177 L HA 0.538 4.879 4.340 0.001 0.000 0.265 177 L C 1.519 178.370 176.870 -0.033 0.000 1.143 177 L CA 0.127 54.923 54.840 -0.073 0.000 0.809 177 L CB 0.181 42.214 42.059 -0.043 0.000 1.124 177 L HN 0.560 nan 8.230 nan 0.000 0.456 178 G N 1.828 110.621 108.800 -0.013 0.000 2.596 178 G HA2 -0.285 3.676 3.960 0.001 0.000 0.295 178 G HA3 -0.285 3.676 3.960 0.001 0.000 0.295 178 G C -0.408 174.458 174.900 -0.056 0.000 1.240 178 G CA 0.648 45.748 45.100 -0.001 0.000 0.985 178 G HN 1.100 nan 8.290 nan 0.000 0.555 179 K N -2.321 118.022 120.400 -0.095 0.000 2.755 179 K HA 0.598 4.919 4.320 0.001 0.000 0.294 179 K C -0.509 175.912 176.600 -0.299 0.000 1.060 179 K CA -0.093 56.074 56.287 -0.200 0.000 0.845 179 K CB 0.532 32.877 32.500 -0.257 0.000 1.539 179 K HN 1.451 nan 8.250 nan 0.000 0.379 180 T N -0.845 113.544 114.554 -0.275 0.000 2.928 180 T HA 0.526 4.877 4.350 0.001 0.000 0.284 180 T C -0.804 173.702 174.700 -0.323 0.000 1.008 180 T CA -0.500 61.500 62.100 -0.167 0.000 1.057 180 T CB 0.625 69.479 68.868 -0.023 0.000 1.018 180 T HN 0.592 nan 8.240 nan 0.000 0.493 181 H N 1.476 120.570 119.070 0.040 0.000 2.658 181 H HA 0.429 4.986 4.556 0.001 0.000 0.337 181 H C 0.659 176.009 175.328 0.036 0.000 1.009 181 H CA -0.915 55.147 56.048 0.025 0.000 1.231 181 H CB 1.495 31.259 29.762 0.003 0.000 1.508 181 H HN 0.464 nan 8.280 nan 0.000 0.517 182 L N 2.120 123.414 121.223 0.118 0.000 2.010 182 L HA -0.263 4.078 4.340 0.001 0.000 0.219 182 L C 1.830 178.734 176.870 0.057 0.000 1.077 182 L CA 1.882 56.760 54.840 0.062 0.000 0.773 182 L CB -0.151 41.921 42.059 0.022 0.000 0.892 182 L HN 0.576 nan 8.230 nan 0.000 0.436 183 K N -0.764 119.675 120.400 0.064 0.000 2.283 183 K HA -0.093 4.227 4.320 0.001 0.000 0.202 183 K C 1.683 178.309 176.600 0.043 0.000 1.048 183 K CA 0.994 57.304 56.287 0.039 0.000 0.948 183 K CB -0.366 32.149 32.500 0.025 0.000 0.742 183 K HN 0.461 nan 8.250 nan 0.000 0.458 184 N N 0.561 119.306 118.700 0.076 0.000 2.245 184 N HA -0.073 4.668 4.740 0.001 0.000 0.185 184 N C 1.635 177.199 175.510 0.090 0.000 1.036 184 N CA 1.611 54.702 53.050 0.068 0.000 0.857 184 N CB -0.075 38.454 38.487 0.070 0.000 1.015 184 N HN 0.171 nan 8.380 nan 0.000 0.436 185 S N -1.827 113.957 115.700 0.140 0.000 2.603 185 S HA 0.412 4.883 4.470 0.001 0.000 0.232 185 S C 1.084 175.778 174.600 0.158 0.000 1.016 185 S CA 0.256 58.566 58.200 0.183 0.000 0.976 185 S CB 0.766 64.129 63.200 0.272 0.000 0.921 185 S HN 0.439 nan 8.310 nan 0.000 0.516 186 G N 0.527 109.351 108.800 0.041 0.000 2.137 186 G HA2 -0.232 3.729 3.960 0.001 0.000 0.237 186 G HA3 -0.232 3.729 3.960 0.001 0.000 0.237 186 G C -0.349 174.340 174.900 -0.351 0.000 1.002 186 G CA 0.310 45.319 45.100 -0.152 0.000 0.702 186 G HN 0.576 nan 8.290 nan 0.000 0.515 187 Y N -0.971 119.334 120.300 0.009 0.000 2.512 187 Y HA 0.741 5.292 4.550 0.001 0.000 0.348 187 Y C 0.030 175.921 175.900 -0.015 0.000 0.990 187 Y CA -1.392 56.705 58.100 -0.006 0.000 1.033 187 Y CB 2.257 40.711 38.460 -0.009 0.000 1.259 187 Y HN 0.144 nan 8.280 nan 0.000 0.461 188 E N 0.784 121.066 120.200 0.137 0.000 2.290 188 E HA 0.708 5.059 4.350 0.001 0.000 0.274 188 E C -0.614 176.007 176.600 0.034 0.000 0.889 188 E CA -0.212 56.216 56.400 0.046 0.000 0.760 188 E CB 1.957 31.671 29.700 0.024 0.000 1.206 188 E HN 0.964 nan 8.360 nan 0.000 0.419 189 G N 3.565 112.350 108.800 -0.024 0.000 2.428 189 G HA2 0.100 4.061 3.960 0.001 0.000 0.681 189 G HA3 0.100 4.061 3.960 0.001 0.000 0.681 189 G C -3.078 171.815 174.900 -0.011 0.000 1.340 189 G CA -0.491 44.612 45.100 0.005 0.000 0.915 189 G HN 0.489 nan 8.290 nan 0.000 0.645 190 P HA 0.530 nan 4.420 nan 0.000 0.283 190 P C 0.607 177.960 177.300 0.088 0.000 1.278 190 P CA 0.238 63.349 63.100 0.019 0.000 0.834 190 P CB 1.717 33.444 31.700 0.045 0.000 1.150 191 G N -1.485 107.312 108.800 -0.005 0.000 3.453 191 G HA2 0.529 4.490 3.960 0.001 0.000 0.263 191 G HA3 0.529 4.490 3.960 0.001 0.000 0.263 191 G C 0.342 175.011 174.900 -0.384 0.000 1.060 191 G CA -0.022 45.073 45.100 -0.008 0.000 0.793 191 G HN 0.851 nan 8.290 nan 0.000 0.532 192 G N -1.991 106.421 108.800 -0.646 0.000 2.430 192 G HA2 0.532 4.493 3.960 0.001 0.000 0.300 192 G HA3 0.532 4.493 3.960 0.001 0.000 0.300 192 G C 0.333 174.902 174.900 -0.551 0.000 1.330 192 G CA 0.168 44.583 45.100 -1.142 0.000 0.813 192 G HN 0.540 nan 8.290 nan 0.000 0.487 193 A N -0.858 121.783 122.820 -0.298 0.000 1.956 193 A HA 0.642 4.963 4.320 0.001 0.000 0.212 193 A C 1.758 179.335 177.584 -0.012 0.000 1.188 193 A CA 1.857 53.899 52.037 0.007 0.000 0.675 193 A CB -0.363 18.704 19.000 0.111 0.000 0.845 193 A HN 2.039 nan 8.150 nan 0.000 0.455 194 A N 1.500 124.295 122.820 -0.043 0.000 3.004 194 A HA 0.355 4.676 4.320 0.001 0.000 0.286 194 A C 0.403 177.967 177.584 -0.034 0.000 1.632 194 A CA -0.050 51.977 52.037 -0.017 0.000 1.339 194 A CB -1.455 17.541 19.000 -0.007 0.000 1.136 194 A HN 0.722 nan 8.150 nan 0.000 0.577 195 N N 0.595 119.283 118.700 -0.021 0.000 2.313 195 N HA -0.026 4.715 4.740 0.001 0.000 0.207 195 N C 0.297 175.806 175.510 -0.002 0.000 1.141 195 N CA 0.241 53.274 53.050 -0.028 0.000 0.830 195 N CB 0.121 38.588 38.487 -0.034 0.000 1.008 195 N HN 0.491 nan 8.380 nan 0.000 0.481 196 N N -0.265 118.445 118.700 0.018 0.000 2.286 196 N HA 0.025 4.766 4.740 0.001 0.000 0.245 196 N C -1.105 174.438 175.510 0.055 0.000 1.363 196 N CA -0.447 52.627 53.050 0.040 0.000 0.822 196 N CB 0.423 38.941 38.487 0.052 0.000 1.345 196 N HN 0.104 nan 8.380 nan 0.000 0.494 197 V N -0.059 119.887 119.914 0.053 0.000 2.709 197 V HA 0.628 4.749 4.120 0.001 0.000 0.308 197 V C -1.413 174.740 176.094 0.098 0.000 1.062 197 V CA -1.045 61.307 62.300 0.087 0.000 0.901 197 V CB 1.690 33.565 31.823 0.085 0.000 1.003 197 V HN 0.077 nan 8.190 nan 0.000 0.425 198 F N 6.700 126.641 119.950 -0.015 0.000 2.438 198 F HA 0.674 5.201 4.527 0.001 0.000 0.360 198 F C 0.669 176.565 175.800 0.160 0.000 1.118 198 F CA 1.150 59.126 58.000 -0.041 0.000 1.164 198 F CB 0.827 39.680 39.000 -0.246 0.000 1.131 198 F HN 0.915 nan 8.300 nan 0.000 0.527 199 T N 0.746 115.309 114.554 0.014 0.000 2.681 199 T HA 0.236 4.587 4.350 0.001 0.000 0.296 199 T C 0.283 175.086 174.700 0.171 0.000 1.157 199 T CA -0.557 61.690 62.100 0.244 0.000 1.025 199 T CB 1.117 70.055 68.868 0.117 0.000 1.441 199 T HN 0.588 nan 8.240 nan 0.000 0.504 200 N N -0.647 118.158 118.700 0.175 0.000 2.383 200 N HA 0.050 4.790 4.740 0.001 0.000 0.192 200 N C 1.295 176.806 175.510 0.001 0.000 1.141 200 N CA -0.126 52.954 53.050 0.049 0.000 0.851 200 N CB 0.116 38.672 38.487 0.115 0.000 0.976 200 N HN 0.728 nan 8.380 nan 0.000 0.465 201 E N 0.842 121.017 120.200 -0.042 0.000 2.136 201 E HA -0.296 4.055 4.350 0.001 0.000 0.202 201 E C 1.264 177.802 176.600 -0.104 0.000 1.019 201 E CA 1.343 57.702 56.400 -0.068 0.000 0.819 201 E CB -0.197 29.445 29.700 -0.097 0.000 0.739 201 E HN 0.541 nan 8.360 nan 0.000 0.458 202 F N 0.170 119.882 119.950 -0.397 0.000 2.120 202 F HA -0.279 4.248 4.527 0.001 0.000 0.300 202 F C 1.593 177.131 175.800 -0.437 0.000 1.095 202 F CA 1.791 59.491 58.000 -0.500 0.000 1.249 202 F CB -0.441 38.066 39.000 -0.822 0.000 0.995 202 F HN 0.108 nan 8.300 nan 0.000 0.480 203 Y N -0.069 120.152 120.300 -0.131 0.000 2.220 203 Y HA -0.128 4.423 4.550 0.001 0.000 0.291 203 Y C 2.359 178.170 175.900 -0.148 0.000 1.129 203 Y CA 1.352 59.343 58.100 -0.183 0.000 1.161 203 Y CB -1.063 37.342 38.460 -0.092 0.000 0.997 203 Y HN 0.033 nan 8.280 nan 0.000 0.522 204 L N -0.148 121.097 121.223 0.036 0.000 2.017 204 L HA -0.246 4.095 4.340 0.001 0.000 0.208 204 L C 2.067 178.948 176.870 0.018 0.000 1.073 204 L CA 1.410 56.264 54.840 0.024 0.000 0.745 204 L CB -0.627 41.444 42.059 0.021 0.000 0.894 204 L HN 0.203 nan 8.230 nan 0.000 0.432 205 N N -0.096 118.603 118.700 -0.002 0.000 2.104 205 N HA -0.185 4.556 4.740 0.001 0.000 0.190 205 N C 1.706 177.412 175.510 0.326 0.000 1.024 205 N CA 1.068 54.196 53.050 0.130 0.000 0.853 205 N CB -0.462 38.101 38.487 0.127 0.000 1.008 205 N HN 0.073 nan 8.380 nan 0.000 0.424 206 L N 0.845 122.087 121.223 0.031 0.000 2.017 206 L HA -0.022 4.319 4.340 0.001 0.000 0.208 206 L C 1.978 178.919 176.870 0.118 0.000 1.073 206 L CA 1.358 56.168 54.840 -0.050 0.000 0.745 206 L CB -0.834 40.932 42.059 -0.487 0.000 0.894 206 L HN 0.178 nan 8.230 nan 0.000 0.432 207 L N -1.489 119.757 121.223 0.038 0.000 2.179 207 L HA -0.105 4.236 4.340 0.001 0.000 0.208 207 L C 1.653 178.562 176.870 0.065 0.000 1.096 207 L CA 1.120 55.982 54.840 0.037 0.000 0.779 207 L CB -0.412 41.650 42.059 0.005 0.000 0.922 207 L HN 0.363 nan 8.230 nan 0.000 0.443 208 N N -1.515 117.224 118.700 0.065 0.000 2.356 208 N HA 0.019 4.760 4.740 0.001 0.000 0.178 208 N C 0.322 175.801 175.510 -0.051 0.000 1.075 208 N CA -0.069 52.990 53.050 0.015 0.000 0.889 208 N CB 0.483 38.973 38.487 0.005 0.000 0.999 208 N HN 0.198 nan 8.380 nan 0.000 0.464 209 E N 1.098 121.224 120.200 -0.122 0.000 2.314 209 E HA 0.053 4.404 4.350 0.001 0.000 0.262 209 E C -0.847 175.446 176.600 -0.511 0.000 1.093 209 E CA -0.113 56.017 56.400 -0.449 0.000 0.908 209 E CB 0.927 30.039 29.700 -0.979 0.000 1.091 209 E HN 0.057 nan 8.360 nan 0.000 0.425 210 D N 1.112 121.222 120.400 -0.484 0.000 2.467 210 D HA 0.154 4.795 4.640 0.001 0.000 0.220 210 D C -1.189 174.958 176.300 -0.254 0.000 1.103 210 D CA -0.451 53.405 54.000 -0.240 0.000 0.886 210 D CB 0.020 40.752 40.800 -0.115 0.000 1.025 210 D HN 0.166 nan 8.370 nan 0.000 0.514 211 W N 3.497 124.878 121.300 0.135 0.000 2.261 211 W HA 0.436 5.097 4.660 0.001 0.000 0.323 211 W C 0.390 177.074 176.519 0.275 0.000 1.243 211 W CA -0.900 56.567 57.345 0.204 0.000 1.210 211 W CB 0.917 30.504 29.460 0.211 0.000 1.149 211 W HN 0.056 nan 8.180 nan 0.000 0.562 212 K N 2.649 123.345 120.400 0.492 0.000 2.413 212 K HA 0.383 4.704 4.320 0.001 0.000 0.257 212 K C -1.160 175.483 176.600 0.072 0.000 0.946 212 K CA -0.879 55.572 56.287 0.274 0.000 0.823 212 K CB 1.150 33.723 32.500 0.122 0.000 1.109 212 K HN 0.384 nan 8.250 nan 0.000 0.427 213 L N 2.521 123.571 121.223 -0.288 0.000 2.410 213 L HA 0.330 4.670 4.340 0.001 0.000 0.273 213 L C -0.613 176.020 176.870 -0.395 0.000 1.152 213 L CA 0.967 55.301 54.840 -0.843 0.000 0.855 213 L CB 0.333 41.567 42.059 -1.375 0.000 1.129 213 L HN 0.690 nan 8.230 nan 0.000 0.463 214 E N 3.097 123.092 120.200 -0.342 0.000 2.430 214 E HA 0.415 4.766 4.350 0.001 0.000 0.279 214 E C -1.381 175.109 176.600 -0.183 0.000 1.003 214 E CA -1.003 55.281 56.400 -0.193 0.000 0.801 214 E CB 1.638 31.275 29.700 -0.105 0.000 1.313 214 E HN 0.455 nan 8.360 nan 0.000 0.459 215 K N 1.570 121.890 120.400 -0.134 0.000 2.130 215 K HA 0.300 4.621 4.320 0.001 0.000 0.268 215 K C -0.358 176.185 176.600 -0.095 0.000 0.983 215 K CA -0.573 55.643 56.287 -0.118 0.000 0.893 215 K CB 0.869 33.308 32.500 -0.102 0.000 1.066 215 K HN 0.470 nan 8.250 nan 0.000 0.450 216 N N 0.349 118.986 118.700 -0.104 0.000 2.604 216 N HA 0.098 4.839 4.740 0.001 0.000 0.297 216 N C 0.221 175.679 175.510 -0.086 0.000 1.266 216 N CA -0.412 52.587 53.050 -0.086 0.000 0.961 216 N CB 0.292 38.728 38.487 -0.084 0.000 1.166 216 N HN 0.311 nan 8.380 nan 0.000 0.601 217 D N -1.025 119.333 120.400 -0.070 0.000 2.309 217 D HA -0.062 4.579 4.640 0.001 0.000 0.212 217 D C 0.729 176.985 176.300 -0.074 0.000 0.968 217 D CA 1.141 55.105 54.000 -0.061 0.000 0.882 217 D CB -0.216 40.559 40.800 -0.042 0.000 0.918 217 D HN 0.674 nan 8.370 nan 0.000 0.503 218 A N -0.008 122.747 122.820 -0.108 0.000 2.387 218 A HA 0.066 4.387 4.320 0.001 0.000 0.234 218 A C 0.759 178.263 177.584 -0.133 0.000 1.253 218 A CA -0.178 51.786 52.037 -0.121 0.000 0.894 218 A CB -0.354 18.551 19.000 -0.159 0.000 0.963 218 A HN 0.244 nan 8.150 nan 0.000 0.508 219 N N -0.233 118.394 118.700 -0.123 0.000 2.780 219 N HA -0.131 4.609 4.740 0.001 0.000 0.248 219 N C -1.248 174.177 175.510 -0.141 0.000 1.102 219 N CA 0.336 53.319 53.050 -0.112 0.000 0.697 219 N CB -0.735 37.702 38.487 -0.084 0.000 1.028 219 N HN 0.520 nan 8.380 nan 0.000 0.554 220 N N 1.024 119.604 118.700 -0.199 0.000 2.272 220 N HA 0.258 4.999 4.740 0.001 0.000 0.305 220 N C -0.803 174.598 175.510 -0.180 0.000 1.103 220 N CA -0.299 52.605 53.050 -0.244 0.000 0.791 220 N CB 1.192 39.350 38.487 -0.548 0.000 1.356 220 N HN 0.133 nan 8.380 nan 0.000 0.486 221 E N 1.179 121.312 120.200 -0.110 0.000 2.301 221 E HA 0.238 4.589 4.350 0.001 0.000 0.275 221 E C -0.236 176.352 176.600 -0.020 0.000 1.030 221 E CA -0.305 56.021 56.400 -0.123 0.000 0.852 221 E CB 1.317 30.908 29.700 -0.182 0.000 1.060 221 E HN 0.515 nan 8.360 nan 0.000 0.401 222 Q N 0.753 120.472 119.800 -0.134 0.000 2.435 222 Q HA 0.393 4.734 4.340 0.001 0.000 0.282 222 Q C -1.507 174.344 176.000 -0.249 0.000 1.020 222 Q CA -0.980 54.786 55.803 -0.060 0.000 0.820 222 Q CB 0.828 29.667 28.738 0.168 0.000 1.436 222 Q HN 0.420 nan 8.270 nan 0.000 0.395 223 W N 1.704 122.972 121.300 -0.053 0.000 2.332 223 W HA 0.398 5.058 4.660 0.001 0.000 0.306 223 W C -0.738 175.912 176.519 0.218 0.000 1.149 223 W CA 0.084 57.394 57.345 -0.058 0.000 1.271 223 W CB 1.135 30.354 29.460 -0.402 0.000 1.243 223 W HN 0.442 nan 8.180 nan 0.000 0.459 224 D N 1.810 122.478 120.400 0.447 0.000 2.248 224 D HA 0.340 4.981 4.640 0.001 0.000 0.246 224 D C -0.184 176.314 176.300 0.330 0.000 1.027 224 D CA -0.364 53.862 54.000 0.377 0.000 0.853 224 D CB 1.935 42.828 40.800 0.154 0.000 1.243 224 D HN 0.219 nan 8.370 nan 0.000 0.462 225 S N 0.273 116.048 115.700 0.124 0.000 2.621 225 S HA 0.350 4.821 4.470 0.001 0.000 0.302 225 S C 1.006 175.472 174.600 -0.223 0.000 1.093 225 S CA -0.682 57.363 58.200 -0.258 0.000 1.017 225 S CB 2.133 64.844 63.200 -0.814 0.000 1.077 225 S HN 0.374 nan 8.310 nan 0.000 0.517 226 K N 1.304 121.550 120.400 -0.257 0.000 2.097 226 K HA -0.019 4.301 4.320 0.001 0.000 0.206 226 K C 1.721 178.153 176.600 -0.280 0.000 1.049 226 K CA 1.901 58.061 56.287 -0.211 0.000 0.933 226 K CB -0.815 31.587 32.500 -0.162 0.000 0.717 226 K HN 0.415 nan 8.250 nan 0.000 0.442 227 S N 0.087 115.528 115.700 -0.433 0.000 2.469 227 S HA 0.022 4.493 4.470 0.001 0.000 0.238 227 S C 1.449 175.634 174.600 -0.691 0.000 0.998 227 S CA 0.955 58.779 58.200 -0.626 0.000 0.957 227 S CB -0.371 62.240 63.200 -0.982 0.000 0.764 227 S HN 0.771 nan 8.310 nan 0.000 0.514 228 G N -0.429 108.079 108.800 -0.486 0.000 2.168 228 G HA2 -0.195 3.766 3.960 0.001 0.000 0.197 228 G HA3 -0.195 3.766 3.960 0.001 0.000 0.197 228 G C -0.157 174.697 174.900 -0.076 0.000 0.997 228 G CA -0.325 44.620 45.100 -0.259 0.000 0.658 228 G HN 0.387 nan 8.290 nan 0.000 0.513 229 Y N 0.078 120.400 120.300 0.036 0.000 2.392 229 Y HA 0.852 5.403 4.550 0.001 0.000 0.323 229 Y C 0.659 176.740 175.900 0.302 0.000 1.291 229 Y CA -1.039 57.145 58.100 0.140 0.000 1.345 229 Y CB 0.978 39.542 38.460 0.174 0.000 1.320 229 Y HN 0.411 nan 8.280 nan 0.000 0.518 230 M N 0.536 120.450 119.600 0.524 0.000 2.667 230 M HA 0.822 5.303 4.480 0.001 0.000 0.286 230 M C -1.588 174.846 176.300 0.223 0.000 1.270 230 M CA -0.898 54.659 55.300 0.428 0.000 0.826 230 M CB 2.362 35.101 32.600 0.232 0.000 1.743 230 M HN 0.316 nan 8.290 nan 0.000 0.460 231 M N 1.805 121.428 119.600 0.038 0.000 2.421 231 M HA 0.561 5.042 4.480 0.001 0.000 0.287 231 M C -1.494 174.810 176.300 0.007 0.000 1.183 231 M CA -0.367 54.851 55.300 -0.137 0.000 0.916 231 M CB 2.320 34.589 32.600 -0.552 0.000 1.701 231 M HN 0.903 nan 8.290 nan 0.000 0.470 232 L N 2.802 124.008 121.223 -0.029 0.000 2.456 232 L HA 0.290 4.631 4.340 0.001 0.000 0.257 232 L C -1.338 175.611 176.870 0.132 0.000 1.162 232 L CA -1.472 53.327 54.840 -0.070 0.000 0.808 232 L CB 0.305 42.223 42.059 -0.235 0.000 1.136 232 L HN 0.439 nan 8.230 nan 0.000 0.466 233 P HA -0.170 nan 4.420 nan 0.000 0.216 233 P C 1.491 178.928 177.300 0.229 0.000 1.153 233 P CA 1.628 64.924 63.100 0.327 0.000 0.858 233 P CB -0.087 31.748 31.700 0.225 0.000 0.789 234 T N -3.406 111.229 114.554 0.135 0.000 2.833 234 T HA -0.166 4.185 4.350 0.001 0.000 0.269 234 T C 1.443 176.232 174.700 0.149 0.000 1.054 234 T CA 1.475 63.665 62.100 0.150 0.000 1.135 234 T CB -1.042 67.909 68.868 0.138 0.000 0.869 234 T HN 0.048 nan 8.240 nan 0.000 0.466 235 D N 0.128 120.615 120.400 0.145 0.000 2.103 235 D HA -0.029 4.612 4.640 0.001 0.000 0.199 235 D C 1.765 178.052 176.300 -0.021 0.000 0.978 235 D CA 0.947 55.047 54.000 0.166 0.000 0.829 235 D CB -0.543 40.373 40.800 0.193 0.000 0.981 235 D HN 0.408 nan 8.370 nan 0.000 0.464 236 Y N 2.121 122.285 120.300 -0.228 0.000 2.165 236 Y HA -0.283 4.268 4.550 0.001 0.000 0.286 236 Y C 2.572 178.315 175.900 -0.261 0.000 1.155 236 Y CA 1.844 59.666 58.100 -0.463 0.000 1.164 236 Y CB -0.524 37.459 38.460 -0.795 0.000 0.978 236 Y HN -0.023 nan 8.280 nan 0.000 0.513 237 S N -0.020 115.688 115.700 0.014 0.000 2.423 237 S HA -0.247 4.223 4.470 0.001 0.000 0.238 237 S C 1.861 176.480 174.600 0.032 0.000 1.028 237 S CA 1.698 59.931 58.200 0.055 0.000 1.000 237 S CB -1.127 62.183 63.200 0.182 0.000 0.797 237 S HN 0.552 nan 8.310 nan 0.000 0.487 238 L N 1.075 122.281 121.223 -0.030 0.000 2.450 238 L HA 0.068 4.409 4.340 0.001 0.000 0.224 238 L C 2.287 179.123 176.870 -0.057 0.000 1.149 238 L CA 1.199 56.043 54.840 0.006 0.000 0.816 238 L CB -0.823 41.211 42.059 -0.040 0.000 0.932 238 L HN 0.590 nan 8.230 nan 0.000 0.449 239 I N -4.918 115.499 120.570 -0.255 0.000 4.070 239 I HA 0.015 4.186 4.170 0.001 0.000 0.328 239 I C 1.906 177.867 176.117 -0.259 0.000 1.298 239 I CA 0.222 61.337 61.300 -0.307 0.000 1.173 239 I CB 0.009 37.740 38.000 -0.449 0.000 1.051 239 I HN 0.137 nan 8.210 nan 0.000 0.409 240 Q N 1.365 121.037 119.800 -0.213 0.000 2.163 240 Q HA 0.052 4.393 4.340 0.001 0.000 0.198 240 Q C 0.610 176.590 176.000 -0.033 0.000 0.954 240 Q CA 0.658 56.395 55.803 -0.109 0.000 0.851 240 Q CB 0.221 28.936 28.738 -0.039 0.000 0.928 240 Q HN 0.485 nan 8.270 nan 0.000 0.459 241 D N 0.873 121.280 120.400 0.012 0.000 2.312 241 D HA 0.025 4.666 4.640 0.001 0.000 0.252 241 D C -1.798 174.485 176.300 -0.029 0.000 1.150 241 D CA -2.020 51.973 54.000 -0.011 0.000 0.870 241 D CB 1.544 42.315 40.800 -0.048 0.000 1.153 241 D HN -0.075 nan 8.370 nan 0.000 0.457 242 P HA -0.134 nan 4.420 nan 0.000 0.216 242 P C 1.013 178.284 177.300 -0.048 0.000 1.150 242 P CA 1.215 64.288 63.100 -0.046 0.000 0.837 242 P CB 0.450 32.122 31.700 -0.046 0.000 0.786 243 K N -1.807 118.543 120.400 -0.083 0.000 2.076 243 K HA -0.081 4.240 4.320 0.001 0.000 0.204 243 K C 2.299 178.904 176.600 0.009 0.000 1.051 243 K CA 0.994 57.234 56.287 -0.078 0.000 0.949 243 K CB -0.397 32.012 32.500 -0.152 0.000 0.726 243 K HN 0.035 nan 8.250 nan 0.000 0.443 244 Y N 1.166 121.449 120.300 -0.028 0.000 2.200 244 Y HA -0.162 4.389 4.550 0.002 0.000 0.290 244 Y C 2.068 177.933 175.900 -0.058 0.000 1.137 244 Y CA 0.397 58.481 58.100 -0.027 0.000 1.163 244 Y CB -0.605 37.855 38.460 0.002 0.000 0.988 244 Y HN 0.046 nan 8.280 nan 0.000 0.518 245 L N -0.031 121.239 121.223 0.078 0.000 2.081 245 L HA -0.259 4.082 4.340 0.001 0.000 0.212 245 L C 2.265 179.108 176.870 -0.045 0.000 1.080 245 L CA 2.408 57.243 54.840 -0.010 0.000 0.754 245 L CB -0.664 41.372 42.059 -0.039 0.000 0.893 245 L HN 0.383 nan 8.230 nan 0.000 0.433 246 S N -0.494 115.178 115.700 -0.047 0.000 2.423 246 S HA -0.139 4.332 4.470 0.001 0.000 0.231 246 S C 1.838 176.353 174.600 -0.141 0.000 1.014 246 S CA 1.051 59.203 58.200 -0.079 0.000 0.965 246 S CB -0.596 62.564 63.200 -0.067 0.000 0.785 246 S HN 0.513 nan 8.310 nan 0.000 0.495 247 I N 1.284 121.761 120.570 -0.155 0.000 2.286 247 I HA -0.076 4.095 4.170 0.001 0.000 0.245 247 I C 2.430 178.271 176.117 -0.460 0.000 1.104 247 I CA 0.571 61.665 61.300 -0.343 0.000 1.397 247 I CB -0.543 37.300 38.000 -0.262 0.000 1.072 247 I HN 0.155 nan 8.210 nan 0.000 0.417 248 V N 1.399 121.194 119.914 -0.199 0.000 2.231 248 V HA -0.338 3.783 4.120 0.001 0.000 0.248 248 V C 2.487 178.483 176.094 -0.163 0.000 1.054 248 V CA 2.010 64.256 62.300 -0.090 0.000 1.015 248 V CB -0.753 31.097 31.823 0.044 0.000 0.638 248 V HN 0.400 nan 8.190 nan 0.000 0.444 249 K N -0.368 119.954 120.400 -0.130 0.000 2.113 249 K HA -0.277 4.043 4.320 0.001 0.000 0.208 249 K C 2.188 178.701 176.600 -0.144 0.000 1.047 249 K CA 1.869 58.092 56.287 -0.107 0.000 0.928 249 K CB -0.234 32.214 32.500 -0.086 0.000 0.716 249 K HN 0.606 nan 8.250 nan 0.000 0.446 250 E N 0.156 120.209 120.200 -0.244 0.000 2.072 250 E HA -0.186 4.164 4.350 0.001 0.000 0.191 250 E C 1.554 178.062 176.600 -0.153 0.000 0.985 250 E CA 1.097 57.355 56.400 -0.237 0.000 0.801 250 E CB 0.040 29.517 29.700 -0.373 0.000 0.750 250 E HN 0.305 nan 8.360 nan 0.000 0.452 251 Y N -0.213 119.922 120.300 -0.275 0.000 2.395 251 Y HA 0.105 4.656 4.550 0.001 0.000 0.293 251 Y C 2.153 177.892 175.900 -0.267 0.000 1.123 251 Y CA 0.557 58.416 58.100 -0.402 0.000 1.227 251 Y CB -0.790 37.037 38.460 -1.054 0.000 1.012 251 Y HN 0.135 nan 8.280 nan 0.000 0.552 252 A N -0.028 122.764 122.820 -0.046 0.000 1.969 252 A HA -0.176 4.145 4.320 0.001 0.000 0.218 252 A C 1.979 179.575 177.584 0.019 0.000 1.169 252 A CA 1.831 53.887 52.037 0.032 0.000 0.635 252 A CB -0.643 18.381 19.000 0.039 0.000 0.810 252 A HN 0.430 nan 8.150 nan 0.000 0.445 253 N N -0.855 117.846 118.700 0.001 0.000 2.395 253 N HA 0.024 4.765 4.740 0.001 0.000 0.175 253 N C -0.515 175.004 175.510 0.015 0.000 1.029 253 N CA 0.836 53.888 53.050 0.003 0.000 0.897 253 N CB 0.345 38.825 38.487 -0.012 0.000 0.991 253 N HN 0.351 nan 8.380 nan 0.000 0.441 254 D N -0.526 119.899 120.400 0.042 0.000 2.336 254 D HA 0.070 4.711 4.640 0.001 0.000 0.248 254 D C 0.277 176.617 176.300 0.067 0.000 1.326 254 D CA -0.288 53.739 54.000 0.044 0.000 0.973 254 D CB 0.682 41.516 40.800 0.057 0.000 1.255 254 D HN 0.005 nan 8.370 nan 0.000 0.558 255 Q N 2.328 122.123 119.800 -0.008 0.000 2.181 255 Q HA -0.189 4.152 4.340 0.001 0.000 0.205 255 Q C 0.382 176.253 176.000 -0.215 0.000 0.980 255 Q CA 1.691 57.442 55.803 -0.086 0.000 0.862 255 Q CB 0.338 28.953 28.738 -0.204 0.000 0.905 255 Q HN 0.476 nan 8.270 nan 0.000 0.429 256 D N 0.350 120.657 120.400 -0.154 0.000 2.097 256 D HA -0.166 4.475 4.640 0.001 0.000 0.197 256 D C 1.756 178.083 176.300 0.044 0.000 0.984 256 D CA 1.238 55.179 54.000 -0.099 0.000 0.826 256 D CB -0.188 40.588 40.800 -0.040 0.000 0.973 256 D HN 0.130 nan 8.370 nan 0.000 0.460 257 K N 0.787 121.247 120.400 0.101 0.000 2.063 257 K HA -0.167 4.154 4.320 0.001 0.000 0.208 257 K C 1.935 178.644 176.600 0.183 0.000 1.048 257 K CA 0.746 57.144 56.287 0.184 0.000 0.928 257 K CB -0.800 31.862 32.500 0.270 0.000 0.713 257 K HN 0.080 nan 8.250 nan 0.000 0.442 258 F N 0.269 120.186 119.950 -0.056 0.000 2.095 258 F HA -0.145 4.382 4.527 0.001 0.000 0.298 258 F C 1.647 177.491 175.800 0.072 0.000 1.104 258 F CA 1.384 59.149 58.000 -0.391 0.000 1.232 258 F CB -0.592 38.236 39.000 -0.287 0.000 0.987 258 F HN -0.002 nan 8.300 nan 0.000 0.475 259 F N 1.253 121.021 119.950 -0.304 0.000 2.134 259 F HA -0.126 4.401 4.527 0.001 0.000 0.299 259 F C 2.332 178.031 175.800 -0.168 0.000 1.097 259 F CA 1.458 59.259 58.000 -0.332 0.000 1.264 259 F CB -1.319 37.598 39.000 -0.139 0.000 1.001 259 F HN 0.024 nan 8.300 nan 0.000 0.479 260 K N -0.014 120.457 120.400 0.118 0.000 2.026 260 K HA -0.163 4.157 4.320 0.001 0.000 0.208 260 K C 1.673 178.301 176.600 0.045 0.000 1.048 260 K CA 1.654 57.985 56.287 0.074 0.000 0.929 260 K CB -0.316 32.230 32.500 0.077 0.000 0.713 260 K HN 0.097 nan 8.250 nan 0.000 0.439 261 D N 0.482 120.912 120.400 0.049 0.000 2.117 261 D HA -0.168 4.473 4.640 0.001 0.000 0.197 261 D C 1.652 177.964 176.300 0.021 0.000 0.987 261 D CA 0.912 54.949 54.000 0.061 0.000 0.829 261 D CB -0.309 40.590 40.800 0.166 0.000 0.961 261 D HN 0.087 nan 8.370 nan 0.000 0.460 262 F N 1.272 121.107 119.950 -0.193 0.000 2.102 262 F HA -0.226 4.302 4.527 0.002 0.000 0.298 262 F C 2.550 178.293 175.800 -0.095 0.000 1.105 262 F CA 1.619 59.502 58.000 -0.195 0.000 1.239 262 F CB -0.340 38.373 39.000 -0.479 0.000 0.991 262 F HN -0.121 nan 8.300 nan 0.000 0.474 263 S N 0.135 115.840 115.700 0.009 0.000 2.359 263 S HA -0.292 4.179 4.470 0.001 0.000 0.222 263 S C 2.140 176.710 174.600 -0.049 0.000 1.038 263 S CA 2.060 60.256 58.200 -0.007 0.000 1.051 263 S CB -0.439 62.765 63.200 0.006 0.000 0.944 263 S HN 0.474 nan 8.310 nan 0.000 0.433 264 K N 0.723 121.098 120.400 -0.041 0.000 2.063 264 K HA -0.013 4.308 4.320 0.001 0.000 0.208 264 K C 2.366 178.926 176.600 -0.067 0.000 1.048 264 K CA 1.323 57.585 56.287 -0.042 0.000 0.928 264 K CB -0.418 32.071 32.500 -0.018 0.000 0.713 264 K HN 0.466 nan 8.250 nan 0.000 0.442 265 A N 0.447 123.206 122.820 -0.102 0.000 1.897 265 A HA -0.133 4.188 4.320 0.001 0.000 0.215 265 A C 1.988 179.498 177.584 -0.124 0.000 1.181 265 A CA 0.975 52.945 52.037 -0.111 0.000 0.620 265 A CB -0.630 18.301 19.000 -0.114 0.000 0.821 265 A HN 0.302 nan 8.150 nan 0.000 0.443 266 F N 0.912 120.578 119.950 -0.474 0.000 2.134 266 F HA -0.152 4.376 4.527 0.002 0.000 0.299 266 F C 2.219 177.928 175.800 -0.153 0.000 1.097 266 F CA 1.936 59.690 58.000 -0.411 0.000 1.264 266 F CB -0.416 38.161 39.000 -0.705 0.000 1.001 266 F HN 0.480 nan 8.300 nan 0.000 0.479 267 E N 0.273 120.391 120.200 -0.136 0.000 2.058 267 E HA -0.314 4.037 4.350 0.001 0.000 0.194 267 E C 2.387 178.892 176.600 -0.157 0.000 0.997 267 E CA 1.699 58.011 56.400 -0.147 0.000 0.801 267 E CB -0.325 29.324 29.700 -0.085 0.000 0.746 267 E HN 0.425 nan 8.360 nan 0.000 0.450 268 K N 0.321 120.650 120.400 -0.118 0.000 2.063 268 K HA -0.209 4.112 4.320 0.001 0.000 0.208 268 K C 2.337 178.868 176.600 -0.115 0.000 1.048 268 K CA 1.438 57.666 56.287 -0.099 0.000 0.928 268 K CB -0.281 32.183 32.500 -0.059 0.000 0.713 268 K HN 0.210 nan 8.250 nan 0.000 0.442 269 L N 1.318 122.482 121.223 -0.097 0.000 2.042 269 L HA -0.127 4.213 4.340 0.001 0.000 0.210 269 L C 1.835 178.638 176.870 -0.112 0.000 1.076 269 L CA 1.618 56.433 54.840 -0.042 0.000 0.749 269 L CB -0.193 41.890 42.059 0.040 0.000 0.893 269 L HN 0.239 nan 8.230 nan 0.000 0.432 270 L N -1.046 120.052 121.223 -0.207 0.000 2.478 270 L HA -0.017 4.324 4.340 0.001 0.000 0.223 270 L C 1.760 178.560 176.870 -0.117 0.000 1.140 270 L CA 0.530 55.270 54.840 -0.167 0.000 0.842 270 L CB -0.366 41.569 42.059 -0.207 0.000 0.953 270 L HN 0.355 nan 8.230 nan 0.000 0.452 271 E N -0.943 119.175 120.200 -0.136 0.000 2.498 271 E HA 0.068 4.419 4.350 0.001 0.000 0.203 271 E C -0.033 176.427 176.600 -0.234 0.000 1.013 271 E CA -0.367 55.991 56.400 -0.069 0.000 0.927 271 E CB 0.412 30.132 29.700 0.034 0.000 1.012 271 E HN 0.321 nan 8.360 nan 0.000 0.482 272 N N 0.779 119.226 118.700 -0.422 0.000 2.412 272 N HA 0.004 4.745 4.740 0.001 0.000 0.258 272 N C 0.956 175.738 175.510 -1.213 0.000 1.236 272 N CA 1.347 53.835 53.050 -0.936 0.000 0.882 272 N CB 1.061 38.777 38.487 -1.285 0.000 1.066 272 N HN 0.323 nan 8.380 nan 0.000 0.465 273 G N 1.252 109.385 108.800 -1.112 0.000 2.176 273 G HA2 -0.264 3.697 3.960 0.001 0.000 0.253 273 G HA3 -0.264 3.697 3.960 0.001 0.000 0.253 273 G C 0.072 174.859 174.900 -0.187 0.000 0.979 273 G CA 0.006 44.877 45.100 -0.383 0.000 0.641 273 G HN 0.547 nan 8.290 nan 0.000 0.530 274 I N 1.550 121.932 120.570 -0.313 0.000 2.412 274 I HA 0.454 4.625 4.170 0.001 0.000 0.296 274 I C 0.054 175.880 176.117 -0.485 0.000 0.987 274 I CA -0.667 60.384 61.300 -0.415 0.000 1.180 274 I CB 1.994 39.665 38.000 -0.549 0.000 1.340 274 I HN -0.040 nan 8.210 nan 0.000 0.455 275 T N 6.067 120.339 114.554 -0.470 0.000 2.753 275 T HA 0.431 4.782 4.350 0.001 0.000 0.297 275 T C -0.447 174.001 174.700 -0.420 0.000 0.981 275 T CA -0.245 61.658 62.100 -0.328 0.000 0.956 275 T CB 0.020 68.774 68.868 -0.190 0.000 0.936 275 T HN 0.107 nan 8.240 nan 0.000 0.463 276 F N 5.429 125.338 119.950 -0.069 0.000 2.390 276 F HA 0.348 4.876 4.527 0.001 0.000 0.361 276 F C -1.415 174.348 175.800 -0.061 0.000 1.124 276 F CA -2.410 55.543 58.000 -0.077 0.000 1.149 276 F CB 0.270 39.197 39.000 -0.122 0.000 1.160 276 F HN 0.373 nan 8.300 nan 0.000 0.501 277 P HA 0.015 nan 4.420 nan 0.000 0.272 277 P C 0.975 178.305 177.300 0.050 0.000 1.254 277 P CA -0.430 62.699 63.100 0.049 0.000 0.795 277 P CB 0.915 32.637 31.700 0.036 0.000 1.022 278 K N 0.600 121.015 120.400 0.025 0.000 2.057 278 K HA -0.153 4.168 4.320 0.001 0.000 0.207 278 K C 1.043 177.645 176.600 0.004 0.000 1.049 278 K CA 1.894 58.187 56.287 0.010 0.000 0.931 278 K CB -0.335 32.168 32.500 0.005 0.000 0.714 278 K HN 0.557 nan 8.250 nan 0.000 0.440 279 D N -0.006 120.401 120.400 0.012 0.000 2.340 279 D HA 0.003 4.644 4.640 0.001 0.000 0.220 279 D C 0.308 176.612 176.300 0.006 0.000 1.039 279 D CA -0.048 53.957 54.000 0.008 0.000 0.866 279 D CB -0.217 40.592 40.800 0.015 0.000 0.913 279 D HN 0.073 nan 8.370 nan 0.000 0.523 280 A N 2.282 125.107 122.820 0.009 0.000 2.531 280 A HA 0.305 4.625 4.320 0.001 0.000 0.236 280 A C -1.771 175.767 177.584 -0.077 0.000 1.062 280 A CA -0.771 51.261 52.037 -0.008 0.000 0.760 280 A CB -0.284 18.736 19.000 0.032 0.000 0.995 280 A HN 0.104 nan 8.150 nan 0.000 0.501 281 P HA 0.181 nan 4.420 nan 0.000 0.271 281 P C 0.071 177.186 177.300 -0.308 0.000 1.233 281 P CA -0.287 62.729 63.100 -0.140 0.000 0.789 281 P CB 0.358 31.994 31.700 -0.107 0.000 0.951 282 S N 1.119 116.656 115.700 -0.272 0.000 2.617 282 S HA 0.288 4.758 4.470 0.001 0.000 0.259 282 S C -2.104 172.157 174.600 -0.566 0.000 1.301 282 S CA -0.678 57.323 58.200 -0.333 0.000 0.984 282 S CB -0.810 62.265 63.200 -0.208 0.000 0.954 282 S HN 0.422 nan 8.310 nan 0.000 0.572 283 P HA 0.270 nan 4.420 nan 0.000 0.275 283 P C -0.911 176.162 177.300 -0.377 0.000 1.227 283 P CA -0.139 62.624 63.100 -0.561 0.000 0.781 283 P CB 0.218 31.688 31.700 -0.382 0.000 0.906 284 F N 2.005 121.806 119.950 -0.248 0.000 2.385 284 F HA 0.390 4.918 4.527 0.002 0.000 0.336 284 F C 0.758 176.286 175.800 -0.453 0.000 1.100 284 F CA -0.633 57.151 58.000 -0.359 0.000 1.116 284 F CB 0.241 39.014 39.000 -0.379 0.000 1.166 284 F HN 0.089 nan 8.300 nan 0.000 0.511 285 I N 3.898 124.321 120.570 -0.246 0.000 2.405 285 I HA 0.251 4.422 4.170 0.001 0.000 0.280 285 I C -0.802 175.182 176.117 -0.222 0.000 1.027 285 I CA -0.191 60.988 61.300 -0.201 0.000 1.161 285 I CB 0.207 38.144 38.000 -0.105 0.000 1.300 285 I HN 0.219 nan 8.210 nan 0.000 0.463 286 F N 5.556 125.552 119.950 0.077 0.000 2.429 286 F HA 0.329 4.857 4.527 0.001 0.000 0.348 286 F C 1.051 176.678 175.800 -0.290 0.000 1.109 286 F CA -0.459 57.437 58.000 -0.173 0.000 1.232 286 F CB 0.455 39.085 39.000 -0.617 0.000 1.157 286 F HN 0.220 nan 8.300 nan 0.000 0.564 287 K N 1.564 121.921 120.400 -0.071 0.000 2.270 287 K HA 0.233 4.554 4.320 0.001 0.000 0.276 287 K C 0.319 176.819 176.600 -0.166 0.000 1.023 287 K CA -0.281 55.963 56.287 -0.072 0.000 0.955 287 K CB 0.955 33.450 32.500 -0.008 0.000 0.975 287 K HN 0.785 nan 8.250 nan 0.000 0.471 288 T N -1.140 113.416 114.554 0.005 0.000 2.788 288 T HA 0.202 4.553 4.350 0.001 0.000 0.280 288 T C 1.870 176.662 174.700 0.153 0.000 0.984 288 T CA -0.738 61.458 62.100 0.161 0.000 0.972 288 T CB 0.495 69.460 68.868 0.161 0.000 1.039 288 T HN 0.440 nan 8.240 nan 0.000 0.530 289 L N 0.054 121.402 121.223 0.209 0.000 2.013 289 L HA -0.135 4.205 4.340 0.001 0.000 0.212 289 L C 3.078 180.000 176.870 0.087 0.000 1.073 289 L CA 2.213 57.134 54.840 0.135 0.000 0.753 289 L CB -0.682 41.444 42.059 0.112 0.000 0.890 289 L HN 0.923 nan 8.230 nan 0.000 0.432 290 E N 0.470 120.720 120.200 0.084 0.000 2.118 290 E HA -0.273 4.078 4.350 0.001 0.000 0.195 290 E C 1.914 178.547 176.600 0.055 0.000 0.992 290 E CA 1.471 57.909 56.400 0.064 0.000 0.804 290 E CB 0.036 29.774 29.700 0.064 0.000 0.741 290 E HN 0.485 nan 8.360 nan 0.000 0.458 291 E N -0.255 119.979 120.200 0.057 0.000 2.338 291 E HA -0.159 4.192 4.350 0.001 0.000 0.197 291 E C 1.629 178.252 176.600 0.040 0.000 1.007 291 E CA 0.826 57.253 56.400 0.044 0.000 0.849 291 E CB 0.150 29.873 29.700 0.039 0.000 0.774 291 E HN 0.374 nan 8.360 nan 0.000 0.506 292 Q N -1.066 118.761 119.800 0.044 0.000 2.282 292 Q HA 0.146 4.487 4.340 0.001 0.000 0.206 292 Q C 0.730 176.752 176.000 0.037 0.000 0.878 292 Q CA 0.314 56.140 55.803 0.038 0.000 0.944 292 Q CB 1.226 29.987 28.738 0.038 0.000 1.100 292 Q HN 0.301 nan 8.270 nan 0.000 0.509 293 G N 1.230 110.053 108.800 0.040 0.000 2.198 293 G HA2 -0.269 3.692 3.960 0.001 0.000 0.260 293 G HA3 -0.269 3.692 3.960 0.001 0.000 0.260 293 G C -0.072 174.849 174.900 0.036 0.000 1.025 293 G CA 0.240 45.361 45.100 0.035 0.000 0.769 293 G HN 0.231 nan 8.290 nan 0.000 0.507 294 L N 0.000 121.248 121.223 0.042 0.000 2.949 294 L HA 0.000 4.341 4.340 0.001 0.000 0.249 294 L CA 0.000 54.864 54.840 0.040 0.000 0.813 294 L CB 0.000 42.086 42.059 0.046 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502