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 3dmh_1_A DATA FIRST_RESID 3 DATA SEQUENCE LTREAYHRLT PLPHPGGRLF IKPGARGYRD PVHDLLQKTV EPFGERALDL DATA SEQUENCE NPGVGWGSLP LEGRMAVERL ETSRAAFRCL TASGLQARLA LPWEAAAGAY DATA SEQUENCE DLVVLALPAG RGTAYVQASL VAAARALRMG GRLYLAGDKN KGFERYFKEA DATA SEQUENCE RALLGYGVVV RREGPYRVAL LEKEKEAPPL PSLWRAFSAR ILGAEYTFHH DATA SEQUENCE LPGVFSAGKV DPASLLLLEA LQERLGPEGV RGRQVLDLGA GYGALTLPLA DATA SEQUENCE RMGAEVVGVE DDLASVLSLQ KGLEANALKA QALHSDVDEA LTEEARFDII DATA SEQUENCE VTNPPFHVGG AVILDVAQAF VNVAAARLRP GGVFFLVSNP FLKYEPLLEE DATA SEQUENCE KFGAFQTLKV AEYKVLFAEK R 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.881 176.870 0.019 0.000 1.165 3 L CA 0.000 54.851 54.840 0.018 0.000 0.813 3 L CB 0.000 42.089 42.059 0.050 0.000 0.961 4 T N -2.282 112.284 114.554 0.019 0.000 2.748 4 T HA 0.270 4.619 4.350 -0.001 0.000 0.304 4 T C 1.045 175.779 174.700 0.057 0.000 1.041 4 T CA -0.261 61.853 62.100 0.023 0.000 1.033 4 T CB 1.029 69.908 68.868 0.019 0.000 0.995 4 T HN 0.672 nan 8.240 nan 0.000 0.536 5 R N 0.191 120.729 120.500 0.063 0.000 2.073 5 R HA -0.085 4.254 4.340 -0.001 0.000 0.234 5 R C 2.622 179.042 176.300 0.200 0.000 1.134 5 R CA 1.311 57.489 56.100 0.131 0.000 0.952 5 R CB -0.348 30.030 30.300 0.131 0.000 0.850 5 R HN 0.780 nan 8.270 nan 0.000 0.433 6 E N 1.138 121.418 120.200 0.134 0.000 2.097 6 E HA -0.214 4.136 4.350 -0.001 0.000 0.196 6 E C 1.814 178.464 176.600 0.084 0.000 1.000 6 E CA 1.724 58.192 56.400 0.114 0.000 0.804 6 E CB -0.034 29.701 29.700 0.058 0.000 0.740 6 E HN 0.341 nan 8.360 nan 0.000 0.454 7 A N 0.156 123.008 122.820 0.053 0.000 1.930 7 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 7 A C 2.142 179.710 177.584 -0.026 0.000 1.175 7 A CA 1.397 53.441 52.037 0.011 0.000 0.627 7 A CB -0.970 18.035 19.000 0.007 0.000 0.815 7 A HN 0.499 nan 8.150 nan 0.000 0.443 8 Y N 0.227 120.477 120.300 -0.083 0.000 2.165 8 Y HA -0.263 4.287 4.550 -0.001 0.000 0.286 8 Y C 2.333 178.112 175.900 -0.202 0.000 1.155 8 Y CA 2.363 60.357 58.100 -0.176 0.000 1.164 8 Y CB -0.263 38.034 38.460 -0.272 0.000 0.978 8 Y HN 0.491 nan 8.280 nan 0.000 0.513 9 H N 0.079 119.103 119.070 -0.077 0.000 2.548 9 H HA 0.129 4.684 4.556 -0.001 0.000 0.265 9 H C 0.636 175.884 175.328 -0.133 0.000 0.969 9 H CA 0.307 56.290 56.048 -0.108 0.000 1.155 9 H CB -0.134 29.654 29.762 0.044 0.000 1.394 9 H HN 0.215 nan 8.280 nan 0.000 0.570 10 R N 1.380 121.861 120.500 -0.031 0.000 2.491 10 R HA 0.150 4.489 4.340 -0.001 0.000 0.283 10 R C -0.576 175.692 176.300 -0.053 0.000 1.072 10 R CA -0.201 55.884 56.100 -0.025 0.000 1.048 10 R CB 0.319 30.605 30.300 -0.024 0.000 0.983 10 R HN 0.066 nan 8.270 nan 0.000 0.450 11 L N 4.036 125.260 121.223 0.002 0.000 2.275 11 L HA 0.354 4.693 4.340 -0.001 0.000 0.288 11 L C -0.223 176.773 176.870 0.210 0.000 1.046 11 L CA -0.536 54.353 54.840 0.082 0.000 0.805 11 L CB 1.863 43.942 42.059 0.034 0.000 1.193 11 L HN 0.663 nan 8.230 nan 0.000 0.426 12 T N 3.947 118.571 114.554 0.117 0.000 2.809 12 T HA 0.393 4.742 4.350 -0.001 0.000 0.284 12 T C -2.590 171.948 174.700 -0.271 0.000 0.992 12 T CA -1.285 60.788 62.100 -0.046 0.000 0.957 12 T CB 1.918 70.709 68.868 -0.128 0.000 0.942 12 T HN 0.350 nan 8.240 nan 0.000 0.439 13 P HA 0.399 nan 4.420 nan 0.000 0.287 13 P C -0.924 176.107 177.300 -0.449 0.000 1.281 13 P CA -0.462 62.110 63.100 -0.879 0.000 0.781 13 P CB 0.845 31.863 31.700 -1.137 0.000 0.903 14 L N 5.754 126.761 121.223 -0.360 0.000 2.334 14 L HA 0.534 4.874 4.340 -0.001 0.000 0.273 14 L C -2.036 174.724 176.870 -0.183 0.000 1.013 14 L CA -2.615 52.082 54.840 -0.239 0.000 0.816 14 L CB 2.147 44.074 42.059 -0.222 0.000 1.278 14 L HN 0.193 nan 8.230 nan 0.000 0.431 15 P HA 0.270 nan 4.420 nan 0.000 0.278 15 P C -1.619 175.647 177.300 -0.057 0.000 1.238 15 P CA -0.108 62.903 63.100 -0.149 0.000 0.794 15 P CB 0.896 32.525 31.700 -0.118 0.000 0.955 16 H N -0.545 118.516 119.070 -0.015 0.000 2.985 16 H HA 0.640 5.196 4.556 -0.001 0.000 0.360 16 H C -2.814 172.564 175.328 0.082 0.000 1.221 16 H CA -2.778 53.314 56.048 0.073 0.000 1.121 16 H CB -0.420 29.491 29.762 0.249 0.000 1.854 16 H HN 0.098 nan 8.280 nan 0.000 0.551 17 P HA 0.095 nan 4.420 nan 0.000 0.260 17 P C 0.951 178.308 177.300 0.096 0.000 1.185 17 P CA 2.023 65.188 63.100 0.108 0.000 0.763 17 P CB 0.464 32.241 31.700 0.127 0.000 0.776 18 G N 1.888 110.682 108.800 -0.010 0.000 2.199 18 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.254 18 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.254 18 G C 0.419 175.267 174.900 -0.087 0.000 0.982 18 G CA -0.071 45.022 45.100 -0.012 0.000 0.632 18 G HN 0.977 nan 8.290 nan 0.000 0.529 19 G N -0.866 107.732 108.800 -0.337 0.000 2.510 19 G HA2 0.844 4.803 3.960 -0.001 0.000 0.277 19 G HA3 0.844 4.803 3.960 -0.001 0.000 0.277 19 G C -0.908 173.578 174.900 -0.691 0.000 1.223 19 G CA 0.405 45.258 45.100 -0.412 0.000 0.887 19 G HN 1.294 nan 8.290 nan 0.000 0.485 20 R N -1.596 118.661 120.500 -0.406 0.000 2.710 20 R HA 0.814 5.153 4.340 -0.001 0.000 0.270 20 R C -2.367 173.989 176.300 0.093 0.000 1.021 20 R CA -0.875 55.091 56.100 -0.224 0.000 0.889 20 R CB 1.826 31.976 30.300 -0.250 0.000 1.243 20 R HN 0.886 nan 8.270 nan 0.000 0.464 21 L N 1.657 122.895 121.223 0.024 0.000 2.470 21 L HA 0.520 4.859 4.340 -0.001 0.000 0.268 21 L C -1.606 175.203 176.870 -0.101 0.000 0.964 21 L CA -0.436 54.456 54.840 0.086 0.000 0.839 21 L CB 1.970 44.128 42.059 0.164 0.000 1.276 21 L HN 0.652 nan 8.230 nan 0.000 0.403 22 F N 5.516 125.448 119.950 -0.031 0.000 2.412 22 F HA 0.555 5.082 4.527 -0.001 0.000 0.348 22 F C 0.697 176.414 175.800 -0.139 0.000 1.102 22 F CA 0.009 57.955 58.000 -0.089 0.000 1.196 22 F CB 0.866 39.825 39.000 -0.069 0.000 1.144 22 F HN 0.422 nan 8.300 nan 0.000 0.541 23 I N 0.771 121.304 120.570 -0.061 0.000 3.108 23 I HA 0.779 4.948 4.170 -0.001 0.000 0.312 23 I C -1.409 174.604 176.117 -0.175 0.000 1.095 23 I CA -1.128 60.053 61.300 -0.198 0.000 1.000 23 I CB 2.680 40.365 38.000 -0.525 0.000 1.229 23 I HN 0.664 nan 8.210 nan 0.000 0.454 24 K N 1.599 121.875 120.400 -0.207 0.000 2.579 24 K HA 0.636 4.955 4.320 -0.001 0.000 0.284 24 K C -3.249 173.196 176.600 -0.258 0.000 0.990 24 K CA -1.654 54.494 56.287 -0.232 0.000 0.880 24 K CB 1.342 33.705 32.500 -0.228 0.000 1.488 24 K HN 0.291 nan 8.250 nan 0.000 0.425 25 P HA 0.052 nan 4.420 nan 0.000 0.264 25 P C 0.502 177.648 177.300 -0.257 0.000 1.183 25 P CA 1.533 64.475 63.100 -0.264 0.000 0.763 25 P CB 0.553 32.077 31.700 -0.294 0.000 0.807 26 G N 1.385 110.159 108.800 -0.042 0.000 2.179 26 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.260 26 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.260 26 G C 0.305 175.202 174.900 -0.005 0.000 0.977 26 G CA -0.002 45.120 45.100 0.038 0.000 0.641 26 G HN 0.870 nan 8.290 nan 0.000 0.533 27 A N 0.449 123.239 122.820 -0.050 0.000 2.276 27 A HA 0.804 5.123 4.320 -0.001 0.000 0.316 27 A C 0.658 178.223 177.584 -0.032 0.000 1.229 27 A CA -0.390 51.623 52.037 -0.040 0.000 0.851 27 A CB 0.563 19.525 19.000 -0.064 0.000 1.165 27 A HN 0.450 nan 8.150 nan 0.000 0.513 28 R N 0.739 121.219 120.500 -0.033 0.000 2.679 28 R HA 0.444 4.783 4.340 -0.001 0.000 0.269 28 R C 1.150 177.361 176.300 -0.148 0.000 1.076 28 R CA 1.068 57.132 56.100 -0.060 0.000 1.160 28 R CB 0.452 30.734 30.300 -0.030 0.000 1.054 28 R HN 1.506 nan 8.270 nan 0.000 0.507 29 G N 0.540 109.177 108.800 -0.271 0.000 2.179 29 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.220 29 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.220 29 G C -0.749 174.025 174.900 -0.210 0.000 0.990 29 G CA -0.121 44.620 45.100 -0.598 0.000 0.646 29 G HN 0.586 nan 8.290 nan 0.000 0.517 30 Y N 1.747 121.915 120.300 -0.221 0.000 2.331 30 Y HA 0.605 5.155 4.550 -0.001 0.000 0.338 30 Y C 1.173 176.972 175.900 -0.168 0.000 0.992 30 Y CA -0.975 57.005 58.100 -0.201 0.000 1.121 30 Y CB 0.709 39.060 38.460 -0.182 0.000 1.184 30 Y HN 0.331 nan 8.280 nan 0.000 0.469 31 R N 2.996 123.104 120.500 -0.654 0.000 3.416 31 R HA -0.223 4.116 4.340 -0.001 0.000 0.263 31 R C -1.244 174.872 176.300 -0.306 0.000 1.053 31 R CA 1.207 56.955 56.100 -0.587 0.000 0.705 31 R CB -1.278 28.505 30.300 -0.862 0.000 1.124 31 R HN 0.710 nan 8.270 nan 0.000 0.444 32 D N -0.242 120.055 120.400 -0.172 0.000 2.303 32 D HA 0.214 4.853 4.640 -0.001 0.000 0.236 32 D C -1.634 174.595 176.300 -0.119 0.000 1.068 32 D CA -2.491 51.458 54.000 -0.086 0.000 0.830 32 D CB 1.562 42.398 40.800 0.059 0.000 1.109 32 D HN -0.146 nan 8.370 nan 0.000 0.496 33 P HA -0.124 nan 4.420 nan 0.000 0.219 33 P C 1.531 178.548 177.300 -0.472 0.000 1.146 33 P CA 0.493 63.252 63.100 -0.569 0.000 0.808 33 P CB 0.507 31.403 31.700 -1.340 0.000 0.779 34 V N -0.513 119.217 119.914 -0.307 0.000 2.283 34 V HA -0.245 3.874 4.120 -0.001 0.000 0.243 34 V C 2.414 178.439 176.094 -0.116 0.000 1.039 34 V CA 1.764 63.973 62.300 -0.152 0.000 1.016 34 V CB -1.399 30.383 31.823 -0.068 0.000 0.650 34 V HN 0.259 nan 8.190 nan 0.000 0.449 35 H N -0.160 118.888 119.070 -0.037 0.000 2.387 35 H HA -0.148 4.407 4.556 -0.001 0.000 0.299 35 H C 2.164 177.513 175.328 0.036 0.000 1.090 35 H CA 1.698 57.758 56.048 0.019 0.000 1.332 35 H CB -0.080 29.741 29.762 0.099 0.000 1.386 35 H HN 0.447 nan 8.280 nan 0.000 0.516 36 D N 0.718 121.224 120.400 0.178 0.000 2.144 36 D HA -0.108 4.532 4.640 -0.001 0.000 0.199 36 D C 2.294 178.596 176.300 0.004 0.000 0.984 36 D CA 0.380 54.487 54.000 0.178 0.000 0.834 36 D CB -0.284 40.578 40.800 0.103 0.000 0.955 36 D HN 0.174 nan 8.370 nan 0.000 0.465 37 L N 0.439 121.625 121.223 -0.062 0.000 2.109 37 L HA -0.025 4.315 4.340 -0.001 0.000 0.207 37 L C 2.194 178.988 176.870 -0.127 0.000 1.086 37 L CA 1.057 55.846 54.840 -0.085 0.000 0.760 37 L CB -0.417 41.594 42.059 -0.080 0.000 0.910 37 L HN 0.017 nan 8.230 nan 0.000 0.437 38 L N -0.805 120.329 121.223 -0.147 0.000 2.012 38 L HA -0.266 4.073 4.340 -0.001 0.000 0.210 38 L C 2.673 179.360 176.870 -0.305 0.000 1.073 38 L CA 1.645 56.356 54.840 -0.215 0.000 0.748 38 L CB -0.646 41.295 42.059 -0.198 0.000 0.891 38 L HN 0.438 nan 8.230 nan 0.000 0.431 39 Q N 0.822 120.406 119.800 -0.359 0.000 2.170 39 Q HA -0.227 4.112 4.340 -0.001 0.000 0.203 39 Q C 1.919 177.672 176.000 -0.411 0.000 0.976 39 Q CA 1.591 57.047 55.803 -0.579 0.000 0.858 39 Q CB 0.038 28.064 28.738 -1.187 0.000 0.907 39 Q HN 0.483 nan 8.270 nan 0.000 0.433 40 K N -0.874 119.372 120.400 -0.256 0.000 2.439 40 K HA -0.005 4.314 4.320 -0.001 0.000 0.197 40 K C 1.470 177.977 176.600 -0.155 0.000 1.041 40 K CA 1.180 57.369 56.287 -0.163 0.000 0.970 40 K CB 0.366 32.815 32.500 -0.086 0.000 0.773 40 K HN 0.154 nan 8.250 nan 0.000 0.479 41 T N 0.069 114.497 114.554 -0.209 0.000 3.058 41 T HA 0.033 4.382 4.350 -0.001 0.000 0.247 41 T C 0.528 175.040 174.700 -0.314 0.000 0.987 41 T CA -0.099 61.888 62.100 -0.189 0.000 1.062 41 T CB 0.267 69.047 68.868 -0.146 0.000 1.048 41 T HN 0.049 nan 8.240 nan 0.000 0.468 42 V N 2.071 121.664 119.914 -0.535 0.000 2.673 42 V HA 0.389 4.508 4.120 -0.001 0.000 0.303 42 V C -0.407 175.484 176.094 -0.338 0.000 1.046 42 V CA -0.432 61.374 62.300 -0.824 0.000 1.126 42 V CB 0.376 31.750 31.823 -0.748 0.000 0.934 42 V HN 0.210 nan 8.190 nan 0.000 0.487 43 E N 4.275 124.401 120.200 -0.123 0.000 2.288 43 E HA 0.498 4.847 4.350 -0.001 0.000 0.268 43 E C -2.807 173.893 176.600 0.167 0.000 0.885 43 E CA -2.104 54.332 56.400 0.061 0.000 0.767 43 E CB 1.946 31.729 29.700 0.139 0.000 1.220 43 E HN 0.564 nan 8.360 nan 0.000 0.427 44 P HA 0.079 nan 4.420 nan 0.000 0.266 44 P C -0.924 176.536 177.300 0.267 0.000 1.195 44 P CA 0.242 63.438 63.100 0.159 0.000 0.768 44 P CB 0.163 31.915 31.700 0.086 0.000 0.838 45 F N 2.293 122.299 119.950 0.094 0.000 2.653 45 F HA 0.532 5.058 4.527 -0.001 0.000 0.327 45 F C 0.465 176.304 175.800 0.066 0.000 1.195 45 F CA 0.566 58.612 58.000 0.077 0.000 0.993 45 F CB 1.184 40.233 39.000 0.081 0.000 1.259 45 F HN 0.714 nan 8.300 nan 0.000 0.478 46 G N 5.200 113.686 108.800 -0.523 0.000 2.598 46 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.244 46 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.244 46 G C 0.126 174.960 174.900 -0.111 0.000 1.302 46 G CA 0.561 45.446 45.100 -0.358 0.000 0.903 46 G HN 0.661 nan 8.290 nan 0.000 0.575 47 E N 0.101 120.268 120.200 -0.055 0.000 2.364 47 E HA 0.252 4.602 4.350 -0.001 0.000 0.203 47 E C 1.272 177.895 176.600 0.038 0.000 0.888 47 E CA 0.510 56.904 56.400 -0.011 0.000 0.989 47 E CB 0.420 30.104 29.700 -0.026 0.000 0.985 47 E HN 0.529 nan 8.360 nan 0.000 0.499 48 R N 0.405 120.947 120.500 0.071 0.000 2.393 48 R HA 0.757 5.096 4.340 -0.001 0.000 0.315 48 R C -0.980 175.487 176.300 0.279 0.000 0.952 48 R CA -0.491 55.696 56.100 0.145 0.000 0.842 48 R CB 2.065 32.399 30.300 0.057 0.000 1.163 48 R HN -0.001 nan 8.270 nan 0.000 0.450 49 A N 2.921 125.901 122.820 0.267 0.000 2.356 49 A HA 0.741 5.060 4.320 -0.001 0.000 0.323 49 A C -1.482 176.156 177.584 0.091 0.000 1.119 49 A CA -0.671 51.489 52.037 0.205 0.000 0.790 49 A CB 1.345 20.422 19.000 0.129 0.000 1.273 49 A HN 0.526 nan 8.150 nan 0.000 0.452 50 L N 1.242 122.389 121.223 -0.126 0.000 2.409 50 L HA 0.548 4.888 4.340 -0.001 0.000 0.272 50 L C -1.327 175.447 176.870 -0.160 0.000 0.980 50 L CA -0.243 54.387 54.840 -0.351 0.000 0.826 50 L CB 1.932 43.435 42.059 -0.927 0.000 1.268 50 L HN 0.684 nan 8.230 nan 0.000 0.407 51 D N 4.486 124.826 120.400 -0.100 0.000 2.329 51 D HA 0.262 4.901 4.640 -0.001 0.000 0.232 51 D C 0.525 176.795 176.300 -0.050 0.000 1.088 51 D CA -0.088 53.885 54.000 -0.045 0.000 0.835 51 D CB 1.323 42.118 40.800 -0.007 0.000 1.078 51 D HN 0.668 nan 8.370 nan 0.000 0.495 52 L N 3.294 124.493 121.223 -0.040 0.000 2.592 52 L HA 0.153 4.492 4.340 -0.001 0.000 0.227 52 L C 0.721 177.598 176.870 0.011 0.000 1.127 52 L CA 0.168 54.985 54.840 -0.038 0.000 0.884 52 L CB 0.009 42.041 42.059 -0.044 0.000 1.065 52 L HN 0.248 nan 8.230 nan 0.000 0.457 53 N N -0.490 118.237 118.700 0.045 0.000 2.679 53 N HA 0.107 4.846 4.740 -0.001 0.000 0.240 53 N C -2.052 173.553 175.510 0.160 0.000 1.537 53 N CA -0.912 52.200 53.050 0.102 0.000 0.793 53 N CB 0.762 39.317 38.487 0.114 0.000 1.391 53 N HN -0.204 nan 8.380 nan 0.000 0.524 54 P HA 0.137 nan 4.420 nan 0.000 0.222 54 P C 1.060 178.442 177.300 0.137 0.000 1.153 54 P CA 1.214 64.395 63.100 0.135 0.000 0.798 54 P CB 0.254 31.999 31.700 0.075 0.000 0.796 55 G N 0.800 109.652 108.800 0.086 0.000 2.596 55 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.295 55 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.295 55 G C 1.063 175.965 174.900 0.004 0.000 1.240 55 G CA 1.293 46.389 45.100 -0.006 0.000 0.985 55 G HN 0.344 nan 8.290 nan 0.000 0.555 56 V N -1.005 118.897 119.914 -0.021 0.000 3.444 56 V HA 0.444 4.563 4.120 -0.001 0.000 0.271 56 V C 2.197 178.342 176.094 0.084 0.000 1.188 56 V CA 1.706 64.021 62.300 0.026 0.000 1.168 56 V CB -0.535 31.292 31.823 0.007 0.000 0.810 56 V HN 2.928 nan 8.190 nan 0.000 0.500 57 G N -1.339 107.521 108.800 0.101 0.000 2.141 57 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.231 57 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.231 57 G C 0.526 175.530 174.900 0.173 0.000 0.984 57 G CA 0.291 45.465 45.100 0.123 0.000 0.660 57 G HN 0.617 nan 8.290 nan 0.000 0.525 58 W N 0.860 122.149 121.300 -0.019 0.000 2.381 58 W HA -0.042 4.617 4.660 -0.001 0.000 0.301 58 W C 1.965 178.467 176.519 -0.029 0.000 1.205 58 W CA 1.547 58.864 57.345 -0.046 0.000 1.285 58 W CB -0.426 29.012 29.460 -0.036 0.000 1.133 58 W HN 0.274 nan 8.180 nan 0.000 0.521 59 G N 0.248 109.079 108.800 0.051 0.000 2.442 59 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.219 59 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.219 59 G C 1.382 176.149 174.900 -0.221 0.000 1.141 59 G CA 1.533 46.566 45.100 -0.112 0.000 0.763 59 G HN 0.348 nan 8.290 nan 0.000 0.554 60 S N -0.484 115.136 115.700 -0.132 0.000 2.554 60 S HA 0.253 4.723 4.470 -0.001 0.000 0.226 60 S C 1.809 176.320 174.600 -0.149 0.000 0.980 60 S CA -0.072 58.044 58.200 -0.139 0.000 0.939 60 S CB 0.359 63.525 63.200 -0.058 0.000 0.832 60 S HN 0.095 nan 8.310 nan 0.000 0.486 61 L N 2.709 123.810 121.223 -0.204 0.000 2.127 61 L HA 0.115 4.454 4.340 -0.001 0.000 0.211 61 L C -1.212 175.547 176.870 -0.185 0.000 1.089 61 L CA 1.577 56.310 54.840 -0.177 0.000 0.757 61 L CB -1.279 40.648 42.059 -0.220 0.000 0.899 61 L HN 0.173 nan 8.230 nan 0.000 0.434 62 P HA -0.149 nan 4.420 nan 0.000 0.221 62 P C 1.742 178.982 177.300 -0.099 0.000 1.145 62 P CA 1.266 64.254 63.100 -0.187 0.000 0.795 62 P CB -0.023 31.535 31.700 -0.236 0.000 0.775 63 L N -1.495 119.678 121.223 -0.084 0.000 2.418 63 L HA 0.026 4.365 4.340 -0.001 0.000 0.218 63 L C 1.173 178.042 176.870 -0.002 0.000 1.125 63 L CA 0.170 54.994 54.840 -0.026 0.000 0.835 63 L CB -0.726 41.328 42.059 -0.009 0.000 0.953 63 L HN -0.046 nan 8.230 nan 0.000 0.454 64 E N 0.713 120.910 120.200 -0.006 0.000 2.415 64 E HA 0.239 4.589 4.350 -0.001 0.000 0.263 64 E C 1.092 177.708 176.600 0.026 0.000 0.995 64 E CA 0.963 57.375 56.400 0.020 0.000 0.915 64 E CB 0.549 30.267 29.700 0.031 0.000 0.951 64 E HN 0.288 nan 8.360 nan 0.000 0.449 65 G N 5.085 113.904 108.800 0.031 0.000 2.253 65 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.251 65 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.251 65 G C 1.153 176.067 174.900 0.024 0.000 0.998 65 G CA 0.516 45.633 45.100 0.029 0.000 0.621 65 G HN 0.549 nan 8.290 nan 0.000 0.524 66 R N -0.820 119.693 120.500 0.022 0.000 2.279 66 R HA 0.473 4.812 4.340 -0.001 0.000 0.195 66 R C 1.029 177.344 176.300 0.025 0.000 0.905 66 R CA 0.617 56.730 56.100 0.020 0.000 1.044 66 R CB 0.353 30.664 30.300 0.018 0.000 1.056 66 R HN 0.451 nan 8.270 nan 0.000 0.535 67 M N -0.686 118.933 119.600 0.032 0.000 2.618 67 M HA 0.417 4.897 4.480 -0.001 0.000 0.281 67 M C -1.216 175.112 176.300 0.047 0.000 1.267 67 M CA -0.909 54.416 55.300 0.042 0.000 0.845 67 M CB 2.450 35.086 32.600 0.061 0.000 1.732 67 M HN -0.122 nan 8.290 nan 0.000 0.461 68 A N 1.745 124.598 122.820 0.055 0.000 2.404 68 A HA 0.577 4.896 4.320 -0.001 0.000 0.273 68 A C -0.639 177.001 177.584 0.093 0.000 1.144 68 A CA -0.357 51.719 52.037 0.066 0.000 0.806 68 A CB -0.092 18.945 19.000 0.062 0.000 1.080 68 A HN 0.548 nan 8.150 nan 0.000 0.509 69 V N 3.154 123.117 119.914 0.081 0.000 2.444 69 V HA 0.425 4.544 4.120 -0.001 0.000 0.294 69 V C -0.139 176.002 176.094 0.078 0.000 1.022 69 V CA -0.550 61.798 62.300 0.080 0.000 0.850 69 V CB 1.410 33.263 31.823 0.049 0.000 0.992 69 V HN 1.019 nan 8.190 nan 0.000 0.426 70 E N 4.457 124.709 120.200 0.086 0.000 2.212 70 E HA 0.693 5.043 4.350 -0.001 0.000 0.270 70 E C -0.707 175.890 176.600 -0.005 0.000 0.956 70 E CA -0.670 55.767 56.400 0.063 0.000 0.825 70 E CB 1.490 31.271 29.700 0.134 0.000 1.167 70 E HN 0.593 nan 8.360 nan 0.000 0.400 71 R N 2.928 123.428 120.500 -0.000 0.000 2.538 71 R HA 0.477 4.816 4.340 -0.001 0.000 0.292 71 R C -0.911 175.380 176.300 -0.015 0.000 1.008 71 R CA -0.622 55.471 56.100 -0.011 0.000 0.896 71 R CB 1.277 31.585 30.300 0.014 0.000 1.187 71 R HN 0.423 nan 8.270 nan 0.000 0.440 72 L N 2.426 123.628 121.223 -0.035 0.000 2.287 72 L HA 0.521 4.860 4.340 -0.001 0.000 0.287 72 L C -0.346 176.511 176.870 -0.021 0.000 1.022 72 L CA -0.748 54.068 54.840 -0.040 0.000 0.814 72 L CB 1.615 43.623 42.059 -0.084 0.000 1.217 72 L HN 0.549 nan 8.230 nan 0.000 0.420 73 E N 0.976 121.176 120.200 -0.001 0.000 2.292 73 E HA 0.298 4.647 4.350 -0.001 0.000 0.272 73 E C 0.302 176.931 176.600 0.049 0.000 0.881 73 E CA -0.514 55.904 56.400 0.029 0.000 0.754 73 E CB 1.862 31.586 29.700 0.041 0.000 1.201 73 E HN 0.566 nan 8.360 nan 0.000 0.425 74 T N 0.141 114.730 114.554 0.059 0.000 3.051 74 T HA 0.124 4.474 4.350 -0.001 0.000 0.255 74 T C 0.907 175.723 174.700 0.193 0.000 1.085 74 T CA 0.304 62.452 62.100 0.079 0.000 1.109 74 T CB 0.051 68.945 68.868 0.043 0.000 0.921 74 T HN 0.231 nan 8.240 nan 0.000 0.488 75 S N 0.685 116.471 115.700 0.143 0.000 2.489 75 S HA 0.403 4.872 4.470 -0.001 0.000 0.277 75 S C 1.167 175.816 174.600 0.082 0.000 1.230 75 S CA -0.769 57.515 58.200 0.140 0.000 1.053 75 S CB 1.279 64.522 63.200 0.072 0.000 0.955 75 S HN 0.323 nan 8.310 nan 0.000 0.488 76 R N 4.489 124.987 120.500 -0.004 0.000 2.073 76 R HA -0.005 4.334 4.340 -0.001 0.000 0.234 76 R C 2.390 178.646 176.300 -0.073 0.000 1.134 76 R CA 2.137 58.111 56.100 -0.210 0.000 0.952 76 R CB -1.017 29.025 30.300 -0.430 0.000 0.850 76 R HN 0.818 nan 8.270 nan 0.000 0.433 77 A N 0.100 122.913 122.820 -0.011 0.000 1.908 77 A HA -0.158 4.161 4.320 -0.001 0.000 0.218 77 A C 2.346 179.916 177.584 -0.024 0.000 1.181 77 A CA 2.022 54.056 52.037 -0.005 0.000 0.627 77 A CB -1.103 17.907 19.000 0.017 0.000 0.818 77 A HN 0.488 nan 8.150 nan 0.000 0.445 78 A N -1.306 121.509 122.820 -0.007 0.000 1.898 78 A HA 0.068 4.388 4.320 -0.001 0.000 0.216 78 A C 1.894 179.475 177.584 -0.005 0.000 1.181 78 A CA 1.450 53.484 52.037 -0.005 0.000 0.620 78 A CB -0.719 18.288 19.000 0.011 0.000 0.819 78 A HN 0.440 nan 8.150 nan 0.000 0.442 79 F N 0.215 120.161 119.950 -0.007 0.000 2.216 79 F HA -0.117 4.409 4.527 -0.001 0.000 0.300 79 F C 2.456 178.234 175.800 -0.036 0.000 1.085 79 F CA 1.403 59.395 58.000 -0.013 0.000 1.326 79 F CB -0.502 38.493 39.000 -0.008 0.000 1.027 79 F HN 0.137 nan 8.300 nan 0.000 0.497 80 R N -0.846 119.623 120.500 -0.051 0.000 2.091 80 R HA -0.180 4.159 4.340 -0.001 0.000 0.238 80 R C 2.248 178.493 176.300 -0.092 0.000 1.136 80 R CA 1.743 57.798 56.100 -0.074 0.000 0.959 80 R CB -1.122 29.137 30.300 -0.068 0.000 0.856 80 R HN 0.302 nan 8.270 nan 0.000 0.437 81 C N 0.608 119.874 119.300 -0.056 0.000 2.462 81 C HA -0.041 4.418 4.460 -0.001 0.000 0.278 81 C C 2.604 177.596 174.990 0.003 0.000 1.253 81 C CA 0.443 59.449 59.018 -0.020 0.000 1.713 81 C CB -0.931 26.816 27.740 0.011 0.000 2.049 81 C HN 0.425 nan 8.230 nan 0.000 0.477 82 L N 0.590 121.818 121.223 0.010 0.000 1.990 82 L HA -0.213 4.127 4.340 -0.001 0.000 0.213 82 L C 2.740 179.613 176.870 0.006 0.000 1.072 82 L CA 2.080 56.938 54.840 0.029 0.000 0.755 82 L CB -1.397 40.678 42.059 0.026 0.000 0.889 82 L HN 0.366 nan 8.230 nan 0.000 0.432 83 T N -0.024 114.511 114.554 -0.032 0.000 2.665 83 T HA -0.278 4.072 4.350 -0.001 0.000 0.268 83 T C 1.977 176.608 174.700 -0.115 0.000 1.035 83 T CA 1.585 63.651 62.100 -0.057 0.000 1.151 83 T CB -0.413 68.416 68.868 -0.065 0.000 0.862 83 T HN 0.488 nan 8.240 nan 0.000 0.438 84 A N 1.236 123.921 122.820 -0.225 0.000 1.940 84 A HA -0.096 4.223 4.320 -0.001 0.000 0.219 84 A C 2.486 179.875 177.584 -0.325 0.000 1.176 84 A CA 1.856 53.584 52.037 -0.515 0.000 0.631 84 A CB -0.700 17.676 19.000 -1.040 0.000 0.814 84 A HN 0.456 nan 8.150 nan 0.000 0.446 85 S N -1.393 114.321 115.700 0.022 0.000 2.607 85 S HA 0.311 4.780 4.470 -0.001 0.000 0.224 85 S C 1.374 176.062 174.600 0.147 0.000 0.969 85 S CA 0.813 59.174 58.200 0.267 0.000 0.927 85 S CB -0.252 63.110 63.200 0.269 0.000 0.772 85 S HN 1.656 nan 8.310 nan 0.000 0.533 86 G N 1.411 110.247 108.800 0.060 0.000 2.176 86 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.252 86 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.252 86 G C -0.157 174.775 174.900 0.053 0.000 1.024 86 G CA -0.096 45.033 45.100 0.048 0.000 0.755 86 G HN 0.481 nan 8.290 nan 0.000 0.507 87 L N 0.311 121.566 121.223 0.054 0.000 2.272 87 L HA 0.404 4.743 4.340 -0.001 0.000 0.289 87 L C 0.964 177.857 176.870 0.038 0.000 1.032 87 L CA -0.741 54.132 54.840 0.054 0.000 0.810 87 L CB 1.665 43.764 42.059 0.067 0.000 1.205 87 L HN 0.328 nan 8.230 nan 0.000 0.422 88 Q N 2.758 122.581 119.800 0.038 0.000 2.286 88 Q HA 0.382 4.721 4.340 -0.001 0.000 0.290 88 Q C -0.736 175.284 176.000 0.033 0.000 1.049 88 Q CA 0.117 55.941 55.803 0.035 0.000 0.923 88 Q CB 0.740 29.503 28.738 0.042 0.000 1.183 88 Q HN 0.753 nan 8.270 nan 0.000 0.383 89 A N 4.527 127.363 122.820 0.027 0.000 2.566 89 A HA 0.675 4.995 4.320 -0.001 0.000 0.297 89 A C -1.587 176.011 177.584 0.023 0.000 1.059 89 A CA -0.973 51.079 52.037 0.024 0.000 0.691 89 A CB 1.550 20.564 19.000 0.023 0.000 1.282 89 A HN 0.681 nan 8.150 nan 0.000 0.401 90 R N 0.973 121.486 120.500 0.022 0.000 2.711 90 R HA 0.539 4.878 4.340 -0.001 0.000 0.284 90 R C -1.048 175.268 176.300 0.028 0.000 0.968 90 R CA -0.922 55.192 56.100 0.024 0.000 0.924 90 R CB 1.087 31.400 30.300 0.022 0.000 1.162 90 R HN 0.665 nan 8.270 nan 0.000 0.465 91 L N 2.213 123.463 121.223 0.046 0.000 2.515 91 L HA 0.405 4.745 4.340 -0.001 0.000 0.281 91 L C 0.184 177.069 176.870 0.025 0.000 1.131 91 L CA 0.098 54.984 54.840 0.078 0.000 0.905 91 L CB 0.289 42.427 42.059 0.133 0.000 1.246 91 L HN 0.651 nan 8.230 nan 0.000 0.463 92 A N 4.079 126.887 122.820 -0.020 0.000 2.594 92 A HA 0.664 4.984 4.320 -0.001 0.000 0.296 92 A C -0.836 176.629 177.584 -0.199 0.000 1.061 92 A CA -0.707 51.273 52.037 -0.096 0.000 0.689 92 A CB 1.026 19.980 19.000 -0.075 0.000 1.280 92 A HN 0.447 nan 8.150 nan 0.000 0.406 93 L N 1.852 122.854 121.223 -0.369 0.000 2.436 93 L HA 0.290 4.629 4.340 -0.001 0.000 0.265 93 L C -1.410 175.043 176.870 -0.696 0.000 1.168 93 L CA -1.732 52.668 54.840 -0.734 0.000 0.815 93 L CB 0.750 42.004 42.059 -1.341 0.000 1.109 93 L HN 0.508 nan 8.230 nan 0.000 0.462 94 P HA -0.169 nan 4.420 nan 0.000 0.216 94 P C 0.878 178.062 177.300 -0.194 0.000 1.150 94 P CA 1.356 64.260 63.100 -0.327 0.000 0.837 94 P CB -0.034 31.537 31.700 -0.217 0.000 0.786 95 W N -0.186 121.057 121.300 -0.095 0.000 3.204 95 W HA 0.211 4.871 4.660 -0.001 0.000 0.249 95 W C 0.861 177.371 176.519 -0.015 0.000 1.322 95 W CA -0.023 57.284 57.345 -0.062 0.000 1.593 95 W CB -1.403 28.007 29.460 -0.083 0.000 1.122 95 W HN 0.000 nan 8.180 nan 0.000 0.710 96 E N 1.049 121.166 120.200 -0.139 0.000 2.489 96 E HA 0.180 4.529 4.350 -0.001 0.000 0.193 96 E C 1.109 177.720 176.600 0.019 0.000 1.057 96 E CA -0.110 56.270 56.400 -0.035 0.000 0.866 96 E CB 0.041 29.678 29.700 -0.106 0.000 0.916 96 E HN 0.245 nan 8.360 nan 0.000 0.500 97 A N 1.616 124.449 122.820 0.022 0.000 2.511 97 A HA 0.342 4.661 4.320 -0.001 0.000 0.242 97 A C 0.454 178.122 177.584 0.139 0.000 1.069 97 A CA 0.056 52.131 52.037 0.063 0.000 0.763 97 A CB 0.171 19.181 19.000 0.017 0.000 1.001 97 A HN 0.238 nan 8.150 nan 0.000 0.498 98 A N 2.075 125.026 122.820 0.218 0.000 2.520 98 A HA 0.494 4.813 4.320 -0.001 0.000 0.245 98 A C 0.883 178.587 177.584 0.200 0.000 1.072 98 A CA 0.346 52.499 52.037 0.194 0.000 0.761 98 A CB -0.400 18.703 19.000 0.172 0.000 1.004 98 A HN 2.141 nan 8.150 nan 0.000 0.499 99 A N 2.261 125.156 122.820 0.124 0.000 2.409 99 A HA 0.538 4.857 4.320 -0.001 0.000 0.262 99 A C 1.507 179.140 177.584 0.082 0.000 1.113 99 A CA 0.429 52.532 52.037 0.110 0.000 0.790 99 A CB -0.459 18.589 19.000 0.080 0.000 1.046 99 A HN 2.738 nan 8.150 nan 0.000 0.496 100 G N 0.653 109.512 108.800 0.098 0.000 2.168 100 G HA2 0.028 3.987 3.960 -0.001 0.000 0.257 100 G HA3 0.028 3.987 3.960 -0.001 0.000 0.257 100 G C 0.722 175.626 174.900 0.006 0.000 0.997 100 G CA 0.720 45.857 45.100 0.062 0.000 0.708 100 G HN 2.049 nan 8.290 nan 0.000 0.520 101 A N -1.308 121.484 122.820 -0.047 0.000 2.390 101 A HA 0.706 5.025 4.320 -0.001 0.000 0.232 101 A C 0.235 177.439 177.584 -0.632 0.000 1.233 101 A CA 0.228 52.061 52.037 -0.339 0.000 0.907 101 A CB 0.426 19.148 19.000 -0.463 0.000 0.967 101 A HN 0.639 nan 8.150 nan 0.000 0.512 102 Y N -0.958 119.371 120.300 0.049 0.000 2.512 102 Y HA 0.380 4.929 4.550 -0.001 0.000 0.348 102 Y C 0.286 176.237 175.900 0.084 0.000 0.990 102 Y CA -1.190 56.947 58.100 0.061 0.000 1.033 102 Y CB 1.598 40.097 38.460 0.064 0.000 1.259 102 Y HN 0.130 nan 8.280 nan 0.000 0.461 103 D N 1.107 121.658 120.400 0.251 0.000 2.301 103 D HA 0.078 4.718 4.640 -0.001 0.000 0.206 103 D C -0.439 176.080 176.300 0.365 0.000 0.979 103 D CA 0.931 55.085 54.000 0.256 0.000 0.874 103 D CB 0.938 41.823 40.800 0.141 0.000 0.968 103 D HN 0.219 nan 8.370 nan 0.000 0.510 104 L N 0.768 122.177 121.223 0.311 0.000 2.455 104 L HA 0.364 4.703 4.340 -0.001 0.000 0.264 104 L C -1.457 175.514 176.870 0.168 0.000 0.968 104 L CA -0.739 54.255 54.840 0.257 0.000 0.827 104 L CB 2.503 44.746 42.059 0.307 0.000 1.317 104 L HN -0.356 nan 8.230 nan 0.000 0.407 105 V N 4.722 124.703 119.914 0.113 0.000 2.680 105 V HA 0.661 4.780 4.120 -0.001 0.000 0.309 105 V C -0.746 175.406 176.094 0.095 0.000 1.052 105 V CA -0.745 61.585 62.300 0.050 0.000 0.908 105 V CB 2.189 34.019 31.823 0.011 0.000 1.001 105 V HN 0.496 nan 8.190 nan 0.000 0.431 106 V N 5.372 125.323 119.914 0.061 0.000 2.448 106 V HA 0.558 4.677 4.120 -0.001 0.000 0.295 106 V C -0.730 175.382 176.094 0.029 0.000 1.025 106 V CA -0.509 61.836 62.300 0.074 0.000 0.859 106 V CB 1.570 33.410 31.823 0.029 0.000 0.988 106 V HN 0.634 nan 8.190 nan 0.000 0.431 107 L N 5.385 126.630 121.223 0.037 0.000 2.471 107 L HA 0.803 5.142 4.340 -0.001 0.000 0.263 107 L C 0.221 177.087 176.870 -0.006 0.000 0.985 107 L CA -0.312 54.535 54.840 0.012 0.000 0.868 107 L CB 1.305 43.374 42.059 0.016 0.000 1.203 107 L HN 0.711 nan 8.230 nan 0.000 0.429 108 A N 5.567 128.344 122.820 -0.072 0.000 2.444 108 A HA 0.411 4.731 4.320 -0.001 0.000 0.273 108 A C 0.053 177.612 177.584 -0.042 0.000 1.136 108 A CA -0.244 51.704 52.037 -0.149 0.000 0.799 108 A CB -0.327 18.369 19.000 -0.508 0.000 1.081 108 A HN 0.772 nan 8.150 nan 0.000 0.509 109 L N 5.291 126.523 121.223 0.015 0.000 2.584 109 L HA 0.119 4.459 4.340 -0.001 0.000 0.272 109 L C -1.325 175.570 176.870 0.041 0.000 1.195 109 L CA -0.853 53.999 54.840 0.020 0.000 0.920 109 L CB 0.489 42.594 42.059 0.076 0.000 1.173 109 L HN 0.569 nan 8.230 nan 0.000 0.489 110 P HA 0.083 nan 4.420 nan 0.000 0.218 110 P C 0.530 177.879 177.300 0.081 0.000 1.793 110 P CA -0.120 63.043 63.100 0.106 0.000 0.941 110 P CB 0.696 32.536 31.700 0.234 0.000 1.919 111 A N 1.579 124.452 122.820 0.089 0.000 1.972 111 A HA -0.064 4.255 4.320 -0.001 0.000 0.219 111 A C 2.322 179.984 177.584 0.129 0.000 1.169 111 A CA 1.804 53.927 52.037 0.143 0.000 0.635 111 A CB -1.496 17.647 19.000 0.239 0.000 0.810 111 A HN 0.386 nan 8.150 nan 0.000 0.446 112 G N -0.882 107.972 108.800 0.090 0.000 2.471 112 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.219 112 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.219 112 G C 1.586 176.499 174.900 0.022 0.000 1.125 112 G CA 0.630 45.766 45.100 0.061 0.000 0.775 112 G HN 0.565 nan 8.290 nan 0.000 0.548 113 R N -0.205 120.287 120.500 -0.012 0.000 2.310 113 R HA 0.344 4.683 4.340 -0.001 0.000 0.202 113 R C 1.173 177.498 176.300 0.043 0.000 0.933 113 R CA 0.411 56.464 56.100 -0.078 0.000 1.054 113 R CB 0.096 30.161 30.300 -0.392 0.000 0.985 113 R HN 0.397 nan 8.270 nan 0.000 0.489 114 G N -0.587 108.274 108.800 0.102 0.000 2.707 114 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.686 114 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.686 114 G C 0.512 175.522 174.900 0.184 0.000 1.315 114 G CA -0.377 44.807 45.100 0.140 0.000 0.832 114 G HN 0.068 nan 8.290 nan 0.000 0.573 115 T N 0.904 115.579 114.554 0.203 0.000 2.684 115 T HA 0.002 4.352 4.350 -0.001 0.000 0.267 115 T C 2.913 177.701 174.700 0.147 0.000 1.036 115 T CA 3.159 65.405 62.100 0.243 0.000 1.148 115 T CB -0.540 68.447 68.868 0.198 0.000 0.863 115 T HN 1.645 nan 8.240 nan 0.000 0.436 116 A N 0.282 123.168 122.820 0.109 0.000 1.902 116 A HA -0.103 4.217 4.320 -0.001 0.000 0.217 116 A C 2.115 179.722 177.584 0.038 0.000 1.181 116 A CA 1.557 53.623 52.037 0.049 0.000 0.623 116 A CB -1.054 17.968 19.000 0.037 0.000 0.818 116 A HN 0.587 nan 8.150 nan 0.000 0.443 117 Y N 0.405 120.710 120.300 0.009 0.000 2.200 117 Y HA -0.160 4.389 4.550 -0.001 0.000 0.290 117 Y C 2.416 178.336 175.900 0.034 0.000 1.137 117 Y CA 1.859 59.996 58.100 0.062 0.000 1.163 117 Y CB -0.132 38.388 38.460 0.100 0.000 0.988 117 Y HN 0.082 nan 8.280 nan 0.000 0.518 118 V N 0.108 120.067 119.914 0.074 0.000 2.343 118 V HA -0.317 3.802 4.120 -0.001 0.000 0.247 118 V C 2.269 178.269 176.094 -0.157 0.000 1.051 118 V CA 2.162 64.366 62.300 -0.161 0.000 1.036 118 V CB -0.800 30.644 31.823 -0.632 0.000 0.654 118 V HN 0.348 nan 8.190 nan 0.000 0.451 119 Q N 0.636 120.390 119.800 -0.077 0.000 2.084 119 Q HA -0.136 4.203 4.340 -0.001 0.000 0.202 119 Q C 2.128 178.080 176.000 -0.081 0.000 0.978 119 Q CA 2.195 57.971 55.803 -0.045 0.000 0.844 119 Q CB -0.618 28.117 28.738 -0.006 0.000 0.898 119 Q HN 0.589 nan 8.270 nan 0.000 0.426 120 A N -0.650 122.085 122.820 -0.141 0.000 1.933 120 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 120 A C 2.310 179.882 177.584 -0.021 0.000 1.175 120 A CA 1.824 53.755 52.037 -0.176 0.000 0.628 120 A CB -0.740 17.983 19.000 -0.462 0.000 0.814 120 A HN 0.422 nan 8.150 nan 0.000 0.444 121 S N -0.174 115.489 115.700 -0.062 0.000 2.368 121 S HA -0.064 4.405 4.470 -0.001 0.000 0.224 121 S C 1.821 176.409 174.600 -0.020 0.000 1.029 121 S CA 1.336 59.513 58.200 -0.039 0.000 0.988 121 S CB -0.424 62.724 63.200 -0.086 0.000 0.838 121 S HN 0.514 nan 8.310 nan 0.000 0.462 122 L N 1.023 122.224 121.223 -0.037 0.000 2.017 122 L HA -0.092 4.247 4.340 -0.001 0.000 0.208 122 L C 2.332 179.203 176.870 0.003 0.000 1.073 122 L CA 0.961 55.792 54.840 -0.015 0.000 0.745 122 L CB -0.699 41.352 42.059 -0.013 0.000 0.894 122 L HN 0.205 nan 8.230 nan 0.000 0.432 123 V N -0.032 119.881 119.914 -0.001 0.000 2.358 123 V HA -0.260 3.859 4.120 -0.001 0.000 0.246 123 V C 2.758 178.873 176.094 0.035 0.000 1.047 123 V CA 1.657 63.963 62.300 0.010 0.000 1.035 123 V CB -0.966 30.852 31.823 -0.009 0.000 0.658 123 V HN 0.471 nan 8.190 nan 0.000 0.452 124 A N 0.252 123.105 122.820 0.055 0.000 1.908 124 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 124 A C 2.447 180.061 177.584 0.048 0.000 1.181 124 A CA 2.283 54.367 52.037 0.080 0.000 0.627 124 A CB -0.812 18.252 19.000 0.108 0.000 0.818 124 A HN 0.578 nan 8.150 nan 0.000 0.445 125 A N -0.169 122.667 122.820 0.027 0.000 1.877 125 A HA 0.139 4.458 4.320 -0.001 0.000 0.216 125 A C 2.542 180.150 177.584 0.040 0.000 1.186 125 A CA 2.254 54.303 52.037 0.020 0.000 0.620 125 A CB -1.122 17.886 19.000 0.013 0.000 0.822 125 A HN 1.124 nan 8.150 nan 0.000 0.443 126 A N -0.202 122.640 122.820 0.038 0.000 1.902 126 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 126 A C 2.254 179.873 177.584 0.057 0.000 1.181 126 A CA 1.607 53.669 52.037 0.042 0.000 0.623 126 A CB -0.475 18.544 19.000 0.030 0.000 0.818 126 A HN 0.570 nan 8.150 nan 0.000 0.443 127 R N -0.634 119.903 120.500 0.062 0.000 2.092 127 R HA -0.011 4.328 4.340 -0.001 0.000 0.231 127 R C 2.428 178.791 176.300 0.106 0.000 1.119 127 R CA 1.071 57.216 56.100 0.075 0.000 0.970 127 R CB -0.437 29.907 30.300 0.075 0.000 0.864 127 R HN 0.501 nan 8.270 nan 0.000 0.440 128 A N 1.467 124.361 122.820 0.123 0.000 1.969 128 A HA -0.028 4.292 4.320 -0.001 0.000 0.218 128 A C 1.157 178.898 177.584 0.262 0.000 1.169 128 A CA 0.651 52.816 52.037 0.214 0.000 0.635 128 A CB -0.315 18.765 19.000 0.133 0.000 0.810 128 A HN 0.112 nan 8.150 nan 0.000 0.445 129 L N 1.088 122.414 121.223 0.171 0.000 2.416 129 L HA 0.193 4.532 4.340 -0.001 0.000 0.272 129 L C 0.992 177.937 176.870 0.125 0.000 1.161 129 L CA -0.676 54.261 54.840 0.163 0.000 0.845 129 L CB 0.688 42.817 42.059 0.117 0.000 1.119 129 L HN 0.536 nan 8.230 nan 0.000 0.464 130 R N 2.624 123.195 120.500 0.118 0.000 2.774 130 R HA 0.248 4.587 4.340 -0.001 0.000 0.269 130 R C -0.037 176.313 176.300 0.084 0.000 1.068 130 R CA -0.865 55.285 56.100 0.082 0.000 1.180 130 R CB 0.334 30.675 30.300 0.068 0.000 1.077 130 R HN 0.370 nan 8.270 nan 0.000 0.513 131 M N 1.542 121.181 119.600 0.065 0.000 2.260 131 M HA 0.127 4.606 4.480 -0.001 0.000 0.348 131 M C 1.025 177.374 176.300 0.082 0.000 1.342 131 M CA 1.653 56.990 55.300 0.062 0.000 1.040 131 M CB 0.246 32.873 32.600 0.046 0.000 1.810 131 M HN 0.948 nan 8.290 nan 0.000 0.453 132 G N 2.834 111.685 108.800 0.085 0.000 2.176 132 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.253 132 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.253 132 G C 0.472 175.481 174.900 0.182 0.000 0.979 132 G CA 0.150 45.319 45.100 0.116 0.000 0.641 132 G HN 1.222 nan 8.290 nan 0.000 0.530 133 G N -0.502 108.402 108.800 0.173 0.000 2.667 133 G HA2 0.536 4.495 3.960 -0.001 0.000 0.250 133 G HA3 0.536 4.495 3.960 -0.001 0.000 0.250 133 G C 0.130 175.055 174.900 0.042 0.000 1.212 133 G CA -0.116 45.115 45.100 0.219 0.000 0.874 133 G HN 0.589 nan 8.290 nan 0.000 0.561 134 R N -1.085 119.392 120.500 -0.038 0.000 2.807 134 R HA 0.559 4.898 4.340 -0.001 0.000 0.276 134 R C -1.475 174.750 176.300 -0.125 0.000 0.979 134 R CA -0.895 55.072 56.100 -0.223 0.000 0.928 134 R CB 2.147 32.087 30.300 -0.599 0.000 1.191 134 R HN 0.369 nan 8.270 nan 0.000 0.471 135 L N 1.733 122.860 121.223 -0.160 0.000 2.376 135 L HA 0.430 4.769 4.340 -0.001 0.000 0.275 135 L C -1.695 175.081 176.870 -0.158 0.000 0.987 135 L CA -0.516 54.276 54.840 -0.080 0.000 0.828 135 L CB 1.206 43.255 42.059 -0.016 0.000 1.249 135 L HN 0.467 nan 8.230 nan 0.000 0.409 136 Y N 5.462 125.750 120.300 -0.019 0.000 2.350 136 Y HA 0.549 5.098 4.550 -0.001 0.000 0.340 136 Y C -0.386 175.505 175.900 -0.017 0.000 1.006 136 Y CA -0.020 58.063 58.100 -0.028 0.000 1.166 136 Y CB 1.519 39.956 38.460 -0.038 0.000 1.168 136 Y HN 0.557 nan 8.280 nan 0.000 0.502 137 L N 4.082 125.387 121.223 0.137 0.000 2.325 137 L HA 0.861 5.200 4.340 -0.001 0.000 0.281 137 L C -0.755 176.225 176.870 0.182 0.000 1.004 137 L CA -0.425 54.490 54.840 0.124 0.000 0.823 137 L CB 0.952 43.067 42.059 0.093 0.000 1.236 137 L HN 0.629 nan 8.230 nan 0.000 0.415 138 A N 3.083 125.988 122.820 0.142 0.000 2.374 138 A HA 1.016 5.335 4.320 -0.001 0.000 0.317 138 A C -0.146 177.536 177.584 0.163 0.000 1.094 138 A CA 0.202 52.296 52.037 0.094 0.000 0.765 138 A CB 1.568 20.545 19.000 -0.038 0.000 1.268 138 A HN 1.021 nan 8.150 nan 0.000 0.438 139 G N -0.188 108.677 108.800 0.108 0.000 2.450 139 G HA2 0.488 4.447 3.960 -0.001 0.000 0.273 139 G HA3 0.488 4.447 3.960 -0.001 0.000 0.273 139 G C -2.242 172.726 174.900 0.114 0.000 1.221 139 G CA -0.030 45.202 45.100 0.221 0.000 0.900 139 G HN 0.770 nan 8.290 nan 0.000 0.483 140 D N -0.502 120.026 120.400 0.214 0.000 2.696 140 D HA 0.402 5.041 4.640 -0.001 0.000 0.251 140 D C 0.741 177.110 176.300 0.114 0.000 1.188 140 D CA -0.592 53.469 54.000 0.102 0.000 0.876 140 D CB 2.301 43.208 40.800 0.178 0.000 1.334 140 D HN 0.319 nan 8.370 nan 0.000 0.540 141 K N 1.764 122.163 120.400 -0.002 0.000 2.280 141 K HA -0.066 4.254 4.320 -0.001 0.000 0.202 141 K C 0.999 177.621 176.600 0.037 0.000 1.047 141 K CA 1.017 57.347 56.287 0.071 0.000 0.942 141 K CB 0.096 32.602 32.500 0.009 0.000 0.739 141 K HN 0.427 nan 8.250 nan 0.000 0.457 142 N N 0.395 119.089 118.700 -0.011 0.000 2.515 142 N HA -0.043 4.696 4.740 -0.001 0.000 0.185 142 N C -0.133 175.408 175.510 0.052 0.000 1.109 142 N CA 0.550 53.602 53.050 0.004 0.000 0.903 142 N CB 0.310 38.782 38.487 -0.024 0.000 0.969 142 N HN 0.005 nan 8.380 nan 0.000 0.450 143 K N -0.184 120.275 120.400 0.098 0.000 3.239 143 K HA 0.248 4.567 4.320 -0.001 0.000 0.204 143 K C 0.114 176.837 176.600 0.205 0.000 1.126 143 K CA -0.206 56.169 56.287 0.148 0.000 0.948 143 K CB 1.184 33.789 32.500 0.174 0.000 0.818 143 K HN 0.095 nan 8.250 nan 0.000 0.480 144 G N 0.955 109.813 108.800 0.097 0.000 2.162 144 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.260 144 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.260 144 G C 0.595 175.492 174.900 -0.005 0.000 0.976 144 G CA 0.344 45.393 45.100 -0.084 0.000 0.655 144 G HN 0.510 nan 8.290 nan 0.000 0.533 145 F N 1.475 121.479 119.950 0.090 0.000 2.091 145 F HA -0.103 4.424 4.527 -0.001 0.000 0.299 145 F C 2.396 178.280 175.800 0.140 0.000 1.103 145 F CA 2.542 60.632 58.000 0.150 0.000 1.228 145 F CB 0.110 39.165 39.000 0.092 0.000 0.984 145 F HN 0.236 nan 8.300 nan 0.000 0.477 146 E N 0.325 120.578 120.200 0.089 0.000 2.077 146 E HA -0.240 4.109 4.350 -0.001 0.000 0.193 146 E C 2.334 178.864 176.600 -0.118 0.000 0.989 146 E CA 1.324 57.736 56.400 0.019 0.000 0.800 146 E CB -0.604 29.152 29.700 0.094 0.000 0.746 146 E HN 0.514 nan 8.360 nan 0.000 0.452 147 R N -0.041 120.344 120.500 -0.191 0.000 2.073 147 R HA -0.170 4.169 4.340 -0.001 0.000 0.234 147 R C 2.108 178.276 176.300 -0.220 0.000 1.134 147 R CA 1.362 57.304 56.100 -0.265 0.000 0.952 147 R CB -0.294 29.769 30.300 -0.395 0.000 0.850 147 R HN 0.129 nan 8.270 nan 0.000 0.433 148 Y N -0.490 119.754 120.300 -0.094 0.000 2.263 148 Y HA -0.103 4.447 4.550 -0.001 0.000 0.292 148 Y C 1.999 177.827 175.900 -0.119 0.000 1.130 148 Y CA 0.672 58.718 58.100 -0.090 0.000 1.179 148 Y CB -0.705 37.723 38.460 -0.053 0.000 0.998 148 Y HN 0.101 nan 8.280 nan 0.000 0.532 149 F N 1.431 121.170 119.950 -0.351 0.000 2.134 149 F HA -0.139 4.388 4.527 -0.001 0.000 0.299 149 F C 2.262 177.925 175.800 -0.229 0.000 1.097 149 F CA 1.537 59.276 58.000 -0.437 0.000 1.264 149 F CB -0.569 37.916 39.000 -0.858 0.000 1.001 149 F HN -0.020 nan 8.300 nan 0.000 0.479 150 K N 0.056 120.278 120.400 -0.297 0.000 2.057 150 K HA -0.260 4.060 4.320 -0.001 0.000 0.207 150 K C 2.151 178.632 176.600 -0.198 0.000 1.049 150 K CA 1.768 57.862 56.287 -0.321 0.000 0.931 150 K CB -0.266 32.106 32.500 -0.214 0.000 0.714 150 K HN 0.211 nan 8.250 nan 0.000 0.440 151 E N 0.518 120.661 120.200 -0.094 0.000 2.072 151 E HA -0.110 4.239 4.350 -0.001 0.000 0.191 151 E C 1.637 178.219 176.600 -0.031 0.000 0.985 151 E CA 1.534 57.913 56.400 -0.035 0.000 0.801 151 E CB -0.283 29.441 29.700 0.041 0.000 0.750 151 E HN 0.377 nan 8.360 nan 0.000 0.452 152 A N 0.824 123.639 122.820 -0.008 0.000 1.908 152 A HA -0.208 4.112 4.320 -0.001 0.000 0.218 152 A C 2.267 179.831 177.584 -0.034 0.000 1.181 152 A CA 1.801 53.846 52.037 0.014 0.000 0.627 152 A CB -0.539 18.517 19.000 0.094 0.000 0.818 152 A HN 0.226 nan 8.150 nan 0.000 0.445 153 R N -0.741 119.678 120.500 -0.135 0.000 2.096 153 R HA -0.074 4.266 4.340 -0.001 0.000 0.235 153 R C 2.462 178.696 176.300 -0.111 0.000 1.127 153 R CA 1.169 57.163 56.100 -0.178 0.000 0.968 153 R CB -0.421 29.650 30.300 -0.382 0.000 0.861 153 R HN 0.529 nan 8.270 nan 0.000 0.440 154 A N 0.914 123.672 122.820 -0.104 0.000 1.930 154 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 154 A C 2.108 179.670 177.584 -0.037 0.000 1.175 154 A CA 1.060 53.057 52.037 -0.066 0.000 0.627 154 A CB -0.384 18.578 19.000 -0.063 0.000 0.815 154 A HN 0.180 nan 8.150 nan 0.000 0.443 155 L N -1.382 119.824 121.223 -0.027 0.000 2.109 155 L HA -0.080 4.259 4.340 -0.001 0.000 0.207 155 L C 2.308 179.177 176.870 -0.001 0.000 1.086 155 L CA 0.919 55.754 54.840 -0.009 0.000 0.760 155 L CB -0.225 41.834 42.059 -0.001 0.000 0.910 155 L HN 0.367 nan 8.230 nan 0.000 0.437 156 L N -2.460 118.761 121.223 -0.003 0.000 2.541 156 L HA 0.410 4.750 4.340 -0.001 0.000 0.187 156 L C 1.086 177.965 176.870 0.014 0.000 1.098 156 L CA 0.542 55.388 54.840 0.010 0.000 0.846 156 L CB 0.157 42.225 42.059 0.014 0.000 1.151 156 L HN 0.305 nan 8.230 nan 0.000 0.492 157 G N -1.491 107.314 108.800 0.009 0.000 2.292 157 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.194 157 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.194 157 G C -1.650 173.283 174.900 0.055 0.000 1.329 157 G CA -0.434 44.687 45.100 0.035 0.000 1.100 157 G HN -0.084 nan 8.290 nan 0.000 0.470 158 Y N 2.410 122.694 120.300 -0.028 0.000 2.721 158 Y HA 0.428 4.977 4.550 -0.002 0.000 0.329 158 Y C 0.645 176.549 175.900 0.007 0.000 1.211 158 Y CA 1.089 59.178 58.100 -0.019 0.000 1.512 158 Y CB 0.476 38.927 38.460 -0.016 0.000 1.249 158 Y HN 0.993 nan 8.280 nan 0.000 0.549 159 G N 4.916 113.465 108.800 -0.418 0.000 2.638 159 G HA2 0.560 4.520 3.960 -0.001 0.000 0.302 159 G HA3 0.560 4.520 3.960 -0.001 0.000 0.302 159 G C -2.160 172.560 174.900 -0.300 0.000 1.365 159 G CA -0.689 44.280 45.100 -0.219 0.000 0.987 159 G HN 0.816 nan 8.290 nan 0.000 0.495 160 V N 2.042 121.882 119.914 -0.123 0.000 2.932 160 V HA 0.558 4.678 4.120 -0.001 0.000 0.307 160 V C -0.487 175.601 176.094 -0.011 0.000 1.147 160 V CA -0.663 61.617 62.300 -0.033 0.000 0.951 160 V CB 2.142 33.848 31.823 -0.194 0.000 1.031 160 V HN 0.696 nan 8.190 nan 0.000 0.426 161 V N 6.856 126.775 119.914 0.007 0.000 2.485 161 V HA 0.088 4.207 4.120 -0.001 0.000 0.287 161 V C 1.142 177.218 176.094 -0.029 0.000 1.022 161 V CA 1.070 63.325 62.300 -0.075 0.000 1.067 161 V CB 1.240 33.047 31.823 -0.026 0.000 0.967 161 V HN 1.004 nan 8.190 nan 0.000 0.479 162 V N 2.350 122.246 119.914 -0.031 0.000 3.528 162 V HA 0.552 4.671 4.120 -0.001 0.000 0.294 162 V C 0.412 176.508 176.094 0.003 0.000 1.404 162 V CA -0.020 62.288 62.300 0.013 0.000 1.065 162 V CB 0.053 31.911 31.823 0.059 0.000 0.904 162 V HN 0.727 nan 8.190 nan 0.000 0.435 163 R N 0.522 121.001 120.500 -0.035 0.000 2.604 163 R HA 0.672 5.011 4.340 -0.001 0.000 0.261 163 R C -1.332 174.920 176.300 -0.079 0.000 1.080 163 R CA -0.356 55.718 56.100 -0.044 0.000 0.917 163 R CB 1.798 32.074 30.300 -0.041 0.000 1.252 163 R HN 0.418 nan 8.270 nan 0.000 0.456 164 R N 1.717 122.184 120.500 -0.056 0.000 2.621 164 R HA 0.473 4.812 4.340 -0.001 0.000 0.284 164 R C -1.369 174.917 176.300 -0.025 0.000 0.998 164 R CA -1.024 55.038 56.100 -0.063 0.000 0.895 164 R CB 2.291 32.559 30.300 -0.054 0.000 1.195 164 R HN 0.554 nan 8.270 nan 0.000 0.450 165 E N 1.534 121.734 120.200 -0.000 0.000 2.448 165 E HA 0.342 4.692 4.350 -0.001 0.000 0.288 165 E C 0.186 176.831 176.600 0.076 0.000 0.936 165 E CA 0.536 56.967 56.400 0.050 0.000 0.809 165 E CB 1.051 30.798 29.700 0.079 0.000 1.408 165 E HN 0.748 nan 8.360 nan 0.000 0.393 166 G N 5.570 114.375 108.800 0.008 0.000 2.591 166 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.298 166 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.298 166 G C -1.223 173.573 174.900 -0.173 0.000 1.195 166 G CA 0.183 45.247 45.100 -0.060 0.000 0.989 166 G HN 0.598 nan 8.290 nan 0.000 0.551 167 P HA 0.212 nan 4.420 nan 0.000 0.251 167 P C -0.159 176.836 177.300 -0.508 0.000 1.223 167 P CA 0.541 63.372 63.100 -0.448 0.000 0.796 167 P CB 0.103 31.473 31.700 -0.551 0.000 1.068 168 Y N 0.874 121.098 120.300 -0.127 0.000 2.299 168 Y HA 0.470 5.019 4.550 -0.001 0.000 0.326 168 Y C 1.291 177.009 175.900 -0.303 0.000 1.164 168 Y CA -0.306 57.681 58.100 -0.188 0.000 1.234 168 Y CB 0.754 39.142 38.460 -0.119 0.000 1.219 168 Y HN -0.265 nan 8.280 nan 0.000 0.497 169 R N 1.386 121.670 120.500 -0.360 0.000 2.725 169 R HA 0.714 5.053 4.340 -0.001 0.000 0.277 169 R C -1.784 174.228 176.300 -0.480 0.000 0.987 169 R CA -1.104 54.623 56.100 -0.621 0.000 0.901 169 R CB 2.238 31.647 30.300 -1.484 0.000 1.207 169 R HN 0.480 nan 8.270 nan 0.000 0.463 170 V N 1.135 120.878 119.914 -0.285 0.000 2.540 170 V HA 0.755 4.874 4.120 -0.001 0.000 0.302 170 V C -0.194 175.842 176.094 -0.096 0.000 1.035 170 V CA -0.923 61.306 62.300 -0.117 0.000 0.873 170 V CB 1.752 33.556 31.823 -0.032 0.000 0.992 170 V HN 0.910 nan 8.190 nan 0.000 0.428 171 A N 4.234 127.017 122.820 -0.062 0.000 2.356 171 A HA 0.964 5.283 4.320 -0.001 0.000 0.323 171 A C -1.334 176.191 177.584 -0.099 0.000 1.119 171 A CA -0.639 51.283 52.037 -0.192 0.000 0.790 171 A CB 1.646 20.226 19.000 -0.700 0.000 1.273 171 A HN 0.790 nan 8.150 nan 0.000 0.452 172 L N 1.345 122.482 121.223 -0.143 0.000 2.341 172 L HA 0.803 5.142 4.340 -0.001 0.000 0.278 172 L C -1.354 175.430 176.870 -0.144 0.000 1.005 172 L CA -0.308 54.373 54.840 -0.265 0.000 0.818 172 L CB 1.259 43.104 42.059 -0.357 0.000 1.259 172 L HN 0.608 nan 8.230 nan 0.000 0.418 173 L N 3.470 124.607 121.223 -0.143 0.000 2.350 173 L HA 0.638 4.977 4.340 -0.001 0.000 0.260 173 L C -0.572 176.256 176.870 -0.070 0.000 1.015 173 L CA -0.466 54.348 54.840 -0.043 0.000 0.821 173 L CB 1.990 44.065 42.059 0.027 0.000 1.370 173 L HN 0.578 nan 8.230 nan 0.000 0.416 174 E N 1.266 121.468 120.200 0.004 0.000 2.187 174 E HA 0.280 4.630 4.350 -0.001 0.000 0.268 174 E C -1.108 175.503 176.600 0.018 0.000 0.896 174 E CA -0.881 55.512 56.400 -0.012 0.000 0.766 174 E CB 1.588 31.301 29.700 0.022 0.000 1.142 174 E HN 0.445 nan 8.360 nan 0.000 0.408 175 K N 3.695 124.106 120.400 0.017 0.000 2.338 175 K HA 0.055 4.374 4.320 -0.001 0.000 0.290 175 K C 0.045 176.667 176.600 0.037 0.000 1.069 175 K CA 0.400 56.707 56.287 0.033 0.000 0.941 175 K CB 0.460 32.988 32.500 0.046 0.000 1.023 175 K HN 0.559 nan 8.250 nan 0.000 0.477 176 E N 3.597 123.817 120.200 0.033 0.000 2.539 176 E HA 0.015 4.364 4.350 -0.001 0.000 0.215 176 E C -0.484 176.131 176.600 0.024 0.000 0.965 176 E CA 0.034 56.452 56.400 0.030 0.000 1.019 176 E CB 0.712 30.431 29.700 0.032 0.000 1.059 176 E HN 0.548 nan 8.360 nan 0.000 0.496 177 K N 0.526 120.940 120.400 0.023 0.000 2.480 177 K HA 0.447 4.766 4.320 -0.001 0.000 0.258 177 K C -0.813 175.800 176.600 0.021 0.000 0.990 177 K CA -0.860 55.438 56.287 0.019 0.000 0.857 177 K CB 1.876 34.383 32.500 0.013 0.000 1.384 177 K HN -0.335 nan 8.250 nan 0.000 0.446 178 E N 0.970 121.181 120.200 0.019 0.000 2.384 178 E HA 0.233 4.583 4.350 -0.001 0.000 0.266 178 E C -0.683 175.929 176.600 0.020 0.000 1.012 178 E CA 0.273 56.686 56.400 0.021 0.000 0.901 178 E CB 0.980 30.691 29.700 0.018 0.000 0.967 178 E HN 0.647 nan 8.360 nan 0.000 0.435 179 A N 5.852 128.688 122.820 0.025 0.000 2.425 179 A HA 0.382 4.701 4.320 -0.001 0.000 0.249 179 A C -1.892 175.703 177.584 0.019 0.000 1.084 179 A CA -1.066 50.986 52.037 0.024 0.000 0.781 179 A CB -0.289 18.731 19.000 0.034 0.000 1.019 179 A HN 0.561 nan 8.150 nan 0.000 0.490 180 P HA 0.389 nan 4.420 nan 0.000 0.275 180 P C -2.718 174.588 177.300 0.011 0.000 1.266 180 P CA -1.309 61.796 63.100 0.008 0.000 0.793 180 P CB -0.618 31.083 31.700 0.001 0.000 1.074 181 P HA 0.166 nan 4.420 nan 0.000 0.272 181 P C -0.030 177.266 177.300 -0.006 0.000 1.230 181 P CA -0.139 62.965 63.100 0.007 0.000 0.788 181 P CB 0.243 31.946 31.700 0.004 0.000 0.949 182 L N 2.838 124.056 121.223 -0.008 0.000 2.483 182 L HA 0.121 4.460 4.340 -0.001 0.000 0.276 182 L C -1.607 175.218 176.870 -0.075 0.000 1.213 182 L CA -1.343 53.468 54.840 -0.047 0.000 0.843 182 L CB -0.566 41.459 42.059 -0.057 0.000 1.107 182 L HN 0.345 nan 8.230 nan 0.000 0.487 183 P HA 0.046 nan 4.420 nan 0.000 0.272 183 P C -0.571 176.647 177.300 -0.137 0.000 1.240 183 P CA -0.498 62.537 63.100 -0.109 0.000 0.791 183 P CB 0.596 32.222 31.700 -0.122 0.000 0.978 184 S N 0.144 115.790 115.700 -0.089 0.000 2.537 184 S HA 0.094 4.564 4.470 -0.001 0.000 0.286 184 S C 1.002 175.522 174.600 -0.132 0.000 1.299 184 S CA -0.175 57.985 58.200 -0.067 0.000 1.067 184 S CB -0.600 62.589 63.200 -0.018 0.000 0.864 184 S HN 0.318 nan 8.310 nan 0.000 0.494 185 L N 3.500 124.630 121.223 -0.155 0.000 2.577 185 L HA 0.355 4.695 4.340 -0.001 0.000 0.225 185 L C 0.037 176.751 176.870 -0.259 0.000 1.053 185 L CA -0.206 54.427 54.840 -0.345 0.000 0.866 185 L CB 0.079 41.752 42.059 -0.643 0.000 1.132 185 L HN 0.570 nan 8.230 nan 0.000 0.486 186 W N 1.385 122.642 121.300 -0.072 0.000 2.315 186 W HA 0.412 5.071 4.660 -0.002 0.000 0.316 186 W C 0.338 176.807 176.519 -0.083 0.000 1.211 186 W CA -0.344 56.979 57.345 -0.036 0.000 1.201 186 W CB 0.773 30.243 29.460 0.016 0.000 1.184 186 W HN -0.207 nan 8.180 nan 0.000 0.544 187 R N 1.973 122.519 120.500 0.077 0.000 2.803 187 R HA 0.875 5.215 4.340 -0.001 0.000 0.276 187 R C -0.814 175.370 176.300 -0.195 0.000 0.978 187 R CA -1.320 54.722 56.100 -0.096 0.000 0.939 187 R CB 1.600 31.779 30.300 -0.202 0.000 1.179 187 R HN 0.531 nan 8.270 nan 0.000 0.472 188 A N 1.782 124.502 122.820 -0.168 0.000 2.498 188 A HA 0.862 5.182 4.320 -0.001 0.000 0.298 188 A C -1.312 176.245 177.584 -0.045 0.000 1.075 188 A CA -0.725 51.118 52.037 -0.324 0.000 0.714 188 A CB 1.329 19.987 19.000 -0.569 0.000 1.299 188 A HN 0.627 nan 8.150 nan 0.000 0.407 189 F N -0.104 119.752 119.950 -0.157 0.000 2.654 189 F HA 0.792 5.318 4.527 -0.001 0.000 0.308 189 F C -0.247 175.584 175.800 0.052 0.000 1.108 189 F CA -0.474 57.510 58.000 -0.027 0.000 0.957 189 F CB 1.283 40.298 39.000 0.024 0.000 1.309 189 F HN 0.717 nan 8.300 nan 0.000 0.446 190 S N 2.024 117.811 115.700 0.146 0.000 2.593 190 S HA 0.967 5.436 4.470 -0.001 0.000 0.297 190 S C -0.795 173.977 174.600 0.288 0.000 1.112 190 S CA -0.018 58.229 58.200 0.078 0.000 1.043 190 S CB 1.495 64.717 63.200 0.037 0.000 1.054 190 S HN 1.784 nan 8.310 nan 0.000 0.516 191 A N 1.943 124.931 122.820 0.281 0.000 2.549 191 A HA 0.751 5.070 4.320 -0.001 0.000 0.297 191 A C -0.710 177.058 177.584 0.305 0.000 1.061 191 A CA -0.920 51.338 52.037 0.368 0.000 0.690 191 A CB 1.448 20.788 19.000 0.565 0.000 1.287 191 A HN 0.930 nan 8.150 nan 0.000 0.402 192 R N 1.642 122.287 120.500 0.242 0.000 2.255 192 R HA 0.687 5.026 4.340 -0.001 0.000 0.326 192 R C -1.537 174.909 176.300 0.243 0.000 0.986 192 R CA -0.293 55.931 56.100 0.207 0.000 0.847 192 R CB 0.435 30.807 30.300 0.121 0.000 1.111 192 R HN 0.651 nan 8.270 nan 0.000 0.452 193 I N 6.232 126.998 120.570 0.327 0.000 2.447 193 I HA 0.176 4.345 4.170 -0.001 0.000 0.287 193 I C 0.270 176.528 176.117 0.236 0.000 1.023 193 I CA -0.790 60.672 61.300 0.270 0.000 1.083 193 I CB 1.862 40.006 38.000 0.239 0.000 1.245 193 I HN 0.723 nan 8.210 nan 0.000 0.434 194 L N 6.814 128.119 121.223 0.137 0.000 3.739 194 L HA -0.286 4.053 4.340 -0.001 0.000 0.442 194 L C 1.120 178.046 176.870 0.094 0.000 1.241 194 L CA 0.813 55.712 54.840 0.097 0.000 0.819 194 L CB -1.895 40.213 42.059 0.082 0.000 1.679 194 L HN 1.174 nan 8.230 nan 0.000 0.889 195 G N -1.885 106.965 108.800 0.085 0.000 2.143 195 G HA2 -0.003 3.956 3.960 -0.001 0.000 0.249 195 G HA3 -0.003 3.956 3.960 -0.001 0.000 0.249 195 G C 0.143 175.061 174.900 0.029 0.000 0.981 195 G CA 0.099 45.230 45.100 0.051 0.000 0.665 195 G HN 1.516 nan 8.290 nan 0.000 0.528 196 A N -0.565 122.284 122.820 0.047 0.000 2.475 196 A HA 0.775 5.094 4.320 -0.001 0.000 0.301 196 A C -0.378 177.098 177.584 -0.180 0.000 1.059 196 A CA -0.588 51.394 52.037 -0.091 0.000 0.710 196 A CB 1.407 20.322 19.000 -0.142 0.000 1.288 196 A HN 0.137 nan 8.150 nan 0.000 0.408 197 E N 0.851 120.856 120.200 -0.325 0.000 2.227 197 E HA 0.475 4.824 4.350 -0.001 0.000 0.282 197 E C -1.586 174.667 176.600 -0.578 0.000 1.015 197 E CA 0.303 56.540 56.400 -0.271 0.000 0.823 197 E CB 1.107 30.707 29.700 -0.166 0.000 1.081 197 E HN 0.511 nan 8.360 nan 0.000 0.396 198 Y N -0.010 120.209 120.300 -0.134 0.000 2.462 198 Y HA 0.298 4.847 4.550 -0.001 0.000 0.346 198 Y C 0.301 175.946 175.900 -0.426 0.000 0.976 198 Y CA -0.809 57.078 58.100 -0.355 0.000 1.044 198 Y CB 2.147 40.250 38.460 -0.595 0.000 1.230 198 Y HN 0.127 nan 8.280 nan 0.000 0.455 199 T N 4.230 118.585 114.554 -0.330 0.000 2.809 199 T HA 0.454 4.804 4.350 -0.001 0.000 0.296 199 T C -0.801 173.627 174.700 -0.454 0.000 1.015 199 T CA -0.591 61.305 62.100 -0.340 0.000 0.954 199 T CB -0.279 68.495 68.868 -0.157 0.000 0.950 199 T HN 0.218 nan 8.240 nan 0.000 0.450 200 F N 2.221 121.884 119.950 -0.479 0.000 2.375 200 F HA 0.479 5.005 4.527 -0.001 0.000 0.333 200 F C 0.933 176.446 175.800 -0.478 0.000 1.104 200 F CA -0.534 57.213 58.000 -0.421 0.000 1.149 200 F CB 0.764 39.338 39.000 -0.711 0.000 1.190 200 F HN 0.529 nan 8.300 nan 0.000 0.533 201 H N -0.169 118.961 119.070 0.101 0.000 2.667 201 H HA 0.537 5.092 4.556 -0.001 0.000 0.353 201 H C -1.094 174.472 175.328 0.397 0.000 1.072 201 H CA -0.854 55.286 56.048 0.154 0.000 1.214 201 H CB 1.381 31.207 29.762 0.107 0.000 1.600 201 H HN 0.666 nan 8.280 nan 0.000 0.527 202 H N 0.661 120.033 119.070 0.502 0.000 3.046 202 H HA 0.490 5.045 4.556 -0.001 0.000 0.361 202 H C -1.539 173.784 175.328 -0.009 0.000 1.235 202 H CA -0.994 55.236 56.048 0.303 0.000 1.146 202 H CB 0.614 30.454 29.762 0.129 0.000 1.859 202 H HN 0.398 nan 8.280 nan 0.000 0.548 203 L N 1.275 122.410 121.223 -0.147 0.000 2.469 203 L HA 0.474 4.813 4.340 -0.001 0.000 0.253 203 L C -2.004 174.933 176.870 0.111 0.000 1.143 203 L CA -2.158 52.498 54.840 -0.307 0.000 0.804 203 L CB 0.560 42.417 42.059 -0.336 0.000 1.214 203 L HN 0.529 nan 8.230 nan 0.000 0.476 204 P HA 0.135 nan 4.420 nan 0.000 0.272 204 P C 0.448 177.951 177.300 0.338 0.000 1.223 204 P CA 0.445 63.672 63.100 0.212 0.000 0.784 204 P CB 0.765 32.553 31.700 0.146 0.000 0.923 205 G N 0.221 109.135 108.800 0.190 0.000 2.194 205 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.236 205 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.236 205 G C 0.183 175.078 174.900 -0.008 0.000 0.987 205 G CA 0.090 45.201 45.100 0.019 0.000 0.635 205 G HN 0.698 nan 8.290 nan 0.000 0.520 206 V N -0.928 119.016 119.914 0.050 0.000 3.096 206 V HA 0.674 4.793 4.120 -0.001 0.000 0.306 206 V C 0.982 177.123 176.094 0.079 0.000 1.088 206 V CA -0.612 61.739 62.300 0.086 0.000 1.129 206 V CB 0.824 32.744 31.823 0.161 0.000 1.014 206 V HN 0.982 nan 8.190 nan 0.000 0.486 207 F N 3.773 123.713 119.950 -0.016 0.000 2.529 207 F HA 0.377 4.903 4.527 -0.001 0.000 0.365 207 F C 1.338 177.147 175.800 0.014 0.000 1.102 207 F CA 1.094 59.075 58.000 -0.032 0.000 1.271 207 F CB 0.267 39.231 39.000 -0.060 0.000 1.120 207 F HN 1.120 nan 8.300 nan 0.000 0.579 208 S N 3.540 118.727 115.700 -0.855 0.000 3.706 208 S HA -0.187 4.282 4.470 -0.001 0.000 0.363 208 S C -0.021 174.444 174.600 -0.225 0.000 0.999 208 S CA 0.034 57.839 58.200 -0.659 0.000 1.143 208 S CB -1.717 60.999 63.200 -0.807 0.000 0.902 208 S HN 1.496 nan 8.310 nan 0.000 0.476 209 A N 0.711 123.366 122.820 -0.274 0.000 2.540 209 A HA 0.500 4.819 4.320 -0.001 0.000 0.239 209 A C 1.915 179.338 177.584 -0.269 0.000 1.061 209 A CA 0.678 52.480 52.037 -0.392 0.000 0.758 209 A CB -0.672 18.204 19.000 -0.206 0.000 0.991 209 A HN 2.320 nan 8.150 nan 0.000 0.502 210 G N 1.078 109.760 108.800 -0.195 0.000 2.234 210 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.260 210 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.260 210 G C 0.099 174.151 174.900 -1.412 0.000 0.987 210 G CA 0.974 45.740 45.100 -0.556 0.000 0.625 210 G HN 1.834 nan 8.290 nan 0.000 0.532 211 K N -1.248 118.378 120.400 -1.292 0.000 2.587 211 K HA 0.627 4.946 4.320 -0.001 0.000 0.276 211 K C -0.766 175.674 176.600 -0.266 0.000 0.956 211 K CA -0.998 54.762 56.287 -0.877 0.000 0.857 211 K CB 1.630 33.898 32.500 -0.387 0.000 1.431 211 K HN 0.311 nan 8.250 nan 0.000 0.420 212 V N 2.122 122.064 119.914 0.045 0.000 2.521 212 V HA -0.017 4.102 4.120 -0.001 0.000 0.286 212 V C 0.236 176.322 176.094 -0.014 0.000 1.034 212 V CA -0.036 62.312 62.300 0.079 0.000 1.045 212 V CB 0.747 32.642 31.823 0.119 0.000 0.974 212 V HN 0.817 nan 8.190 nan 0.000 0.480 213 D N 7.480 127.854 120.400 -0.043 0.000 2.520 213 D HA 0.024 4.663 4.640 -0.001 0.000 0.243 213 D C -1.408 174.850 176.300 -0.071 0.000 1.160 213 D CA -1.464 52.505 54.000 -0.050 0.000 0.877 213 D CB 1.569 42.416 40.800 0.078 0.000 1.150 213 D HN 0.249 nan 8.370 nan 0.000 0.494 214 P HA -0.157 nan 4.420 nan 0.000 0.217 214 P C 0.887 178.059 177.300 -0.213 0.000 1.148 214 P CA 1.746 64.825 63.100 -0.036 0.000 0.828 214 P CB 0.135 31.915 31.700 0.132 0.000 0.783 215 A N -0.770 121.685 122.820 -0.608 0.000 1.902 215 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 215 A C 2.333 179.734 177.584 -0.306 0.000 1.181 215 A CA 2.079 53.649 52.037 -0.779 0.000 0.623 215 A CB -1.426 16.919 19.000 -1.091 0.000 0.818 215 A HN 0.142 nan 8.150 nan 0.000 0.443 216 S N 0.095 115.677 115.700 -0.197 0.000 2.368 216 S HA -0.098 4.371 4.470 -0.001 0.000 0.225 216 S C 1.826 176.369 174.600 -0.094 0.000 1.030 216 S CA 1.429 59.555 58.200 -0.122 0.000 0.999 216 S CB -0.501 62.645 63.200 -0.090 0.000 0.844 216 S HN 0.509 nan 8.310 nan 0.000 0.459 217 L N 0.646 121.828 121.223 -0.068 0.000 2.042 217 L HA -0.139 4.201 4.340 -0.001 0.000 0.210 217 L C 2.423 179.275 176.870 -0.031 0.000 1.076 217 L CA 0.902 55.726 54.840 -0.028 0.000 0.749 217 L CB -0.543 41.521 42.059 0.009 0.000 0.893 217 L HN 0.269 nan 8.230 nan 0.000 0.432 218 L N -0.242 120.958 121.223 -0.038 0.000 2.046 218 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 218 L C 2.333 179.186 176.870 -0.029 0.000 1.077 218 L CA 1.475 56.309 54.840 -0.011 0.000 0.747 218 L CB -0.388 41.685 42.059 0.023 0.000 0.896 218 L HN 0.133 nan 8.230 nan 0.000 0.432 219 L N -1.422 119.762 121.223 -0.064 0.000 2.017 219 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 219 L C 2.363 179.152 176.870 -0.135 0.000 1.073 219 L CA 1.543 56.336 54.840 -0.078 0.000 0.745 219 L CB -0.206 41.792 42.059 -0.103 0.000 0.894 219 L HN 0.271 nan 8.230 nan 0.000 0.432 220 L N -0.520 120.629 121.223 -0.123 0.000 2.083 220 L HA -0.216 4.123 4.340 -0.001 0.000 0.209 220 L C 2.509 179.315 176.870 -0.106 0.000 1.083 220 L CA 1.431 56.190 54.840 -0.135 0.000 0.752 220 L CB -0.579 41.428 42.059 -0.086 0.000 0.899 220 L HN 0.332 nan 8.230 nan 0.000 0.433 221 E N 0.229 120.394 120.200 -0.057 0.000 2.051 221 E HA -0.227 4.122 4.350 -0.001 0.000 0.192 221 E C 2.319 178.897 176.600 -0.038 0.000 0.991 221 E CA 1.242 57.624 56.400 -0.031 0.000 0.799 221 E CB -0.210 29.488 29.700 -0.004 0.000 0.748 221 E HN 0.499 nan 8.360 nan 0.000 0.449 222 A N 1.282 124.082 122.820 -0.033 0.000 1.902 222 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 222 A C 2.193 179.763 177.584 -0.023 0.000 1.181 222 A CA 1.032 53.074 52.037 0.008 0.000 0.623 222 A CB -0.644 18.402 19.000 0.078 0.000 0.818 222 A HN 0.270 nan 8.150 nan 0.000 0.443 223 L N -0.754 120.330 121.223 -0.232 0.000 1.994 223 L HA -0.250 4.090 4.340 -0.001 0.000 0.208 223 L C 2.768 179.516 176.870 -0.203 0.000 1.071 223 L CA 2.372 56.902 54.840 -0.517 0.000 0.745 223 L CB -0.369 41.200 42.059 -0.818 0.000 0.892 223 L HN 0.607 nan 8.230 nan 0.000 0.431 224 Q N -0.408 119.311 119.800 -0.135 0.000 2.124 224 Q HA -0.258 4.081 4.340 -0.001 0.000 0.202 224 Q C 1.974 177.957 176.000 -0.028 0.000 0.977 224 Q CA 1.943 57.709 55.803 -0.062 0.000 0.850 224 Q CB -0.018 28.697 28.738 -0.039 0.000 0.901 224 Q HN 0.610 nan 8.270 nan 0.000 0.429 225 E N -0.281 119.904 120.200 -0.025 0.000 2.106 225 E HA -0.213 4.136 4.350 -0.001 0.000 0.192 225 E C 2.044 178.638 176.600 -0.010 0.000 0.984 225 E CA 1.046 57.438 56.400 -0.012 0.000 0.806 225 E CB 0.001 29.695 29.700 -0.010 0.000 0.750 225 E HN 0.167 nan 8.360 nan 0.000 0.458 226 R N 0.814 121.315 120.500 0.001 0.000 2.062 226 R HA -0.035 4.304 4.340 -0.001 0.000 0.229 226 R C 1.881 178.198 176.300 0.028 0.000 1.128 226 R CA 1.205 57.304 56.100 -0.001 0.000 0.960 226 R CB -0.041 30.289 30.300 0.049 0.000 0.855 226 R HN 0.120 nan 8.270 nan 0.000 0.432 227 L N -0.612 120.645 121.223 0.057 0.000 2.513 227 L HA 0.389 4.728 4.340 -0.001 0.000 0.222 227 L C 0.696 177.588 176.870 0.036 0.000 1.096 227 L CA 0.035 54.917 54.840 0.069 0.000 0.857 227 L CB -0.030 42.089 42.059 0.100 0.000 1.026 227 L HN 0.502 nan 8.230 nan 0.000 0.469 228 G N 0.884 109.694 108.800 0.017 0.000 2.712 228 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.686 228 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.686 228 G C -2.092 172.814 174.900 0.011 0.000 1.321 228 G CA -0.409 44.698 45.100 0.013 0.000 0.813 228 G HN -0.020 nan 8.290 nan 0.000 0.599 229 P HA -0.070 nan 4.420 nan 0.000 0.218 229 P C 1.005 178.317 177.300 0.019 0.000 1.146 229 P CA 1.599 64.707 63.100 0.014 0.000 0.813 229 P CB 0.210 31.919 31.700 0.016 0.000 0.778 230 E N -1.139 119.073 120.200 0.021 0.000 2.481 230 E HA 0.122 4.471 4.350 -0.001 0.000 0.198 230 E C 1.964 178.583 176.600 0.032 0.000 1.027 230 E CA 0.276 56.691 56.400 0.026 0.000 0.900 230 E CB -0.480 29.234 29.700 0.023 0.000 0.993 230 E HN 0.254 nan 8.360 nan 0.000 0.482 231 G N 0.628 109.449 108.800 0.035 0.000 2.776 231 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.209 231 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.209 231 G C 1.357 176.293 174.900 0.059 0.000 1.145 231 G CA 0.188 45.318 45.100 0.050 0.000 0.791 231 G HN 0.131 nan 8.290 nan 0.000 0.530 232 V N -0.734 119.207 119.914 0.045 0.000 3.570 232 V HA 0.260 4.379 4.120 -0.001 0.000 0.257 232 V C 1.399 177.523 176.094 0.050 0.000 1.272 232 V CA -0.393 61.937 62.300 0.049 0.000 1.079 232 V CB 0.041 31.881 31.823 0.027 0.000 0.829 232 V HN 0.302 nan 8.190 nan 0.000 0.454 233 R N 0.633 121.159 120.500 0.043 0.000 2.538 233 R HA 0.253 4.592 4.340 -0.001 0.000 0.282 233 R C 1.339 177.665 176.300 0.044 0.000 1.009 233 R CA 1.244 57.369 56.100 0.041 0.000 1.063 233 R CB 0.086 30.406 30.300 0.034 0.000 0.945 233 R HN 0.467 nan 8.270 nan 0.000 0.414 234 G N 3.378 112.205 108.800 0.044 0.000 2.189 234 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.267 234 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.267 234 G C -0.078 174.852 174.900 0.051 0.000 0.975 234 G CA 0.181 45.306 45.100 0.042 0.000 0.644 234 G HN 0.531 nan 8.290 nan 0.000 0.537 235 R N 0.385 120.923 120.500 0.064 0.000 2.459 235 R HA 0.437 4.776 4.340 -0.001 0.000 0.281 235 R C 0.422 176.784 176.300 0.104 0.000 1.050 235 R CA -0.415 55.734 56.100 0.083 0.000 1.055 235 R CB 0.461 30.819 30.300 0.097 0.000 1.045 235 R HN 0.513 nan 8.270 nan 0.000 0.495 236 Q N 1.050 120.926 119.800 0.126 0.000 2.294 236 Q HA 0.324 4.663 4.340 -0.001 0.000 0.257 236 Q C -0.618 175.582 176.000 0.334 0.000 0.955 236 Q CA -0.291 55.634 55.803 0.203 0.000 0.936 236 Q CB 1.566 30.370 28.738 0.110 0.000 1.188 236 Q HN 0.200 nan 8.270 nan 0.000 0.420 237 V N 3.889 123.978 119.914 0.292 0.000 2.555 237 V HA 0.386 4.505 4.120 -0.001 0.000 0.302 237 V C -0.845 175.229 176.094 -0.034 0.000 1.038 237 V CA -0.874 61.517 62.300 0.151 0.000 0.887 237 V CB 1.763 33.631 31.823 0.075 0.000 0.991 237 V HN 0.553 nan 8.190 nan 0.000 0.434 238 L N 3.932 124.933 121.223 -0.370 0.000 2.313 238 L HA 0.658 4.997 4.340 -0.001 0.000 0.283 238 L C -0.604 176.076 176.870 -0.316 0.000 1.013 238 L CA 0.086 54.538 54.840 -0.648 0.000 0.816 238 L CB 1.555 42.857 42.059 -1.263 0.000 1.236 238 L HN 0.677 nan 8.230 nan 0.000 0.419 239 D N 5.276 125.533 120.400 -0.239 0.000 2.427 239 D HA 0.252 4.892 4.640 -0.001 0.000 0.226 239 D C -0.849 175.304 176.300 -0.244 0.000 1.076 239 D CA -0.127 53.768 54.000 -0.175 0.000 0.849 239 D CB 0.599 41.336 40.800 -0.105 0.000 1.052 239 D HN 0.526 nan 8.370 nan 0.000 0.515 240 L N 3.626 124.642 121.223 -0.346 0.000 2.325 240 L HA 0.419 4.758 4.340 -0.001 0.000 0.284 240 L C 1.278 177.837 176.870 -0.519 0.000 1.089 240 L CA -0.285 54.151 54.840 -0.673 0.000 0.836 240 L CB 0.982 42.342 42.059 -1.166 0.000 1.184 240 L HN 0.741 nan 8.230 nan 0.000 0.444 241 G N 2.749 111.405 108.800 -0.241 0.000 2.545 241 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.279 241 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.279 241 G C 0.729 175.621 174.900 -0.013 0.000 1.131 241 G CA -0.007 45.130 45.100 0.061 0.000 1.100 241 G HN 0.863 nan 8.290 nan 0.000 0.525 242 A N -0.095 122.709 122.820 -0.026 0.000 2.066 242 A HA 0.516 4.835 4.320 -0.001 0.000 0.218 242 A C 2.800 180.360 177.584 -0.041 0.000 1.157 242 A CA 2.060 54.076 52.037 -0.035 0.000 0.670 242 A CB -0.503 18.492 19.000 -0.008 0.000 0.804 242 A HN 2.805 nan 8.150 nan 0.000 0.453 243 G N -0.624 108.171 108.800 -0.008 0.000 2.574 243 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.282 243 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.282 243 G C 0.516 175.443 174.900 0.045 0.000 1.257 243 G CA 0.941 46.028 45.100 -0.023 0.000 0.956 243 G HN 1.428 nan 8.290 nan 0.000 0.560 244 Y N 0.156 120.549 120.300 0.155 0.000 2.529 244 Y HA 0.427 4.977 4.550 -0.001 0.000 0.290 244 Y C 1.834 177.886 175.900 0.254 0.000 1.177 244 Y CA 0.105 58.343 58.100 0.229 0.000 1.305 244 Y CB -0.485 38.158 38.460 0.304 0.000 1.047 244 Y HN 2.137 nan 8.280 nan 0.000 0.522 245 G N -0.413 108.419 108.800 0.052 0.000 2.151 245 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.156 245 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.156 245 G C 1.088 176.073 174.900 0.140 0.000 1.017 245 G CA -0.068 45.131 45.100 0.164 0.000 0.686 245 G HN 0.859 nan 8.290 nan 0.000 0.503 246 A N -0.379 122.303 122.820 -0.231 0.000 1.940 246 A HA 0.172 4.491 4.320 -0.001 0.000 0.219 246 A C 2.372 179.904 177.584 -0.088 0.000 1.176 246 A CA 1.956 53.835 52.037 -0.263 0.000 0.631 246 A CB -0.233 18.552 19.000 -0.359 0.000 0.814 246 A HN 0.871 nan 8.150 nan 0.000 0.446 247 L N -1.556 119.613 121.223 -0.088 0.000 2.253 247 L HA -0.040 4.299 4.340 -0.001 0.000 0.205 247 L C 2.670 179.514 176.870 -0.043 0.000 1.078 247 L CA 1.271 56.066 54.840 -0.075 0.000 0.805 247 L CB -0.919 41.087 42.059 -0.088 0.000 0.963 247 L HN 0.303 nan 8.230 nan 0.000 0.459 248 T N 0.754 115.304 114.554 -0.007 0.000 2.708 248 T HA -0.163 4.186 4.350 -0.001 0.000 0.266 248 T C 1.933 176.657 174.700 0.040 0.000 1.037 248 T CA 1.311 63.425 62.100 0.023 0.000 1.146 248 T CB -0.257 68.643 68.868 0.055 0.000 0.865 248 T HN 0.013 nan 8.240 nan 0.000 0.435 249 L N 1.177 122.438 121.223 0.063 0.000 2.005 249 L HA 0.034 4.373 4.340 -0.001 0.000 0.207 249 L C -0.583 176.271 176.870 -0.026 0.000 1.072 249 L CA 1.884 56.747 54.840 0.038 0.000 0.744 249 L CB -1.498 40.576 42.059 0.024 0.000 0.895 249 L HN 0.170 nan 8.230 nan 0.000 0.433 250 P HA -0.164 nan 4.420 nan 0.000 0.215 250 P C 2.058 179.376 177.300 0.029 0.000 1.153 250 P CA 1.386 64.412 63.100 -0.124 0.000 0.853 250 P CB 0.023 31.602 31.700 -0.202 0.000 0.788 251 L N -1.249 119.971 121.223 -0.004 0.000 2.083 251 L HA -0.162 4.178 4.340 -0.001 0.000 0.209 251 L C 2.471 179.368 176.870 0.044 0.000 1.083 251 L CA 1.510 56.358 54.840 0.012 0.000 0.752 251 L CB -1.134 40.920 42.059 -0.008 0.000 0.899 251 L HN -0.043 nan 8.230 nan 0.000 0.433 252 A N 0.134 122.989 122.820 0.058 0.000 1.898 252 A HA -0.233 4.086 4.320 -0.001 0.000 0.216 252 A C 2.348 179.982 177.584 0.083 0.000 1.181 252 A CA 1.648 53.727 52.037 0.070 0.000 0.620 252 A CB -0.447 18.598 19.000 0.075 0.000 0.819 252 A HN 0.273 nan 8.150 nan 0.000 0.442 253 R N -0.111 120.465 120.500 0.125 0.000 2.096 253 R HA 0.009 4.349 4.340 -0.001 0.000 0.235 253 R C 1.751 178.106 176.300 0.092 0.000 1.127 253 R CA 1.941 58.123 56.100 0.136 0.000 0.968 253 R CB -0.657 29.801 30.300 0.264 0.000 0.861 253 R HN 0.548 nan 8.270 nan 0.000 0.440 254 M N -1.081 118.571 119.600 0.086 0.000 2.659 254 M HA 0.172 4.651 4.480 -0.001 0.000 0.243 254 M C 0.849 177.177 176.300 0.047 0.000 1.111 254 M CA 1.042 56.377 55.300 0.059 0.000 1.070 254 M CB 0.488 33.116 32.600 0.047 0.000 1.525 254 M HN 0.459 nan 8.290 nan 0.000 0.517 255 G N 0.310 109.140 108.800 0.050 0.000 2.159 255 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.227 255 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.227 255 G C 0.134 175.062 174.900 0.047 0.000 0.986 255 G CA -0.112 45.014 45.100 0.043 0.000 0.651 255 G HN 0.680 nan 8.290 nan 0.000 0.523 256 A N 0.005 122.856 122.820 0.052 0.000 2.407 256 A HA 0.607 4.926 4.320 -0.001 0.000 0.248 256 A C 0.522 178.145 177.584 0.065 0.000 1.082 256 A CA 0.521 52.594 52.037 0.060 0.000 0.785 256 A CB 0.423 19.459 19.000 0.059 0.000 1.020 256 A HN 0.621 nan 8.150 nan 0.000 0.489 257 E N 1.806 122.052 120.200 0.077 0.000 1.996 257 E HA 0.425 4.774 4.350 -0.001 0.000 0.280 257 E C -1.183 175.485 176.600 0.113 0.000 1.092 257 E CA -0.296 56.154 56.400 0.084 0.000 0.862 257 E CB 0.368 30.115 29.700 0.079 0.000 1.066 257 E HN 0.386 nan 8.360 nan 0.000 0.396 258 V N 4.767 124.738 119.914 0.094 0.000 2.483 258 V HA 0.312 4.431 4.120 -0.001 0.000 0.295 258 V C -0.097 176.051 176.094 0.091 0.000 1.035 258 V CA -0.874 61.477 62.300 0.086 0.000 0.896 258 V CB 1.715 33.569 31.823 0.053 0.000 0.986 258 V HN 0.417 nan 8.190 nan 0.000 0.447 259 V N 3.433 123.396 119.914 0.082 0.000 2.409 259 V HA 0.712 4.831 4.120 -0.001 0.000 0.291 259 V C 0.647 176.723 176.094 -0.031 0.000 1.020 259 V CA -0.304 62.033 62.300 0.062 0.000 0.848 259 V CB 1.660 33.568 31.823 0.141 0.000 0.990 259 V HN 0.998 nan 8.190 nan 0.000 0.430 260 G N 3.529 112.328 108.800 -0.002 0.000 2.343 260 G HA2 0.631 4.590 3.960 -0.001 0.000 0.319 260 G HA3 0.631 4.590 3.960 -0.001 0.000 0.319 260 G C -0.599 174.295 174.900 -0.011 0.000 1.126 260 G CA -0.473 44.612 45.100 -0.024 0.000 0.889 260 G HN 0.901 nan 8.290 nan 0.000 0.457 261 V N -0.069 119.814 119.914 -0.052 0.000 2.513 261 V HA 0.906 5.025 4.120 -0.001 0.000 0.299 261 V C -0.773 175.334 176.094 0.022 0.000 1.035 261 V CA -1.180 61.113 62.300 -0.011 0.000 0.889 261 V CB 1.625 33.419 31.823 -0.048 0.000 0.988 261 V HN 0.750 nan 8.190 nan 0.000 0.440 262 E N 2.267 122.527 120.200 0.101 0.000 2.311 262 E HA 0.329 4.679 4.350 -0.001 0.000 0.281 262 E C -0.351 176.386 176.600 0.228 0.000 0.905 262 E CA -0.240 56.245 56.400 0.141 0.000 0.778 262 E CB 2.165 31.939 29.700 0.122 0.000 1.240 262 E HN 0.797 nan 8.360 nan 0.000 0.410 263 D N 2.407 122.932 120.400 0.209 0.000 2.277 263 D HA -0.047 4.593 4.640 -0.001 0.000 0.208 263 D C -0.283 176.210 176.300 0.321 0.000 0.962 263 D CA 0.538 54.671 54.000 0.221 0.000 0.865 263 D CB 0.361 41.254 40.800 0.154 0.000 0.939 263 D HN 0.404 nan 8.370 nan 0.000 0.510 264 D N -0.207 120.323 120.400 0.217 0.000 2.317 264 D HA 0.026 4.665 4.640 -0.001 0.000 0.234 264 D C 1.100 177.395 176.300 -0.008 0.000 1.112 264 D CA -0.504 53.575 54.000 0.131 0.000 0.840 264 D CB 0.967 41.806 40.800 0.065 0.000 1.078 264 D HN -0.040 nan 8.370 nan 0.000 0.486 265 L N 5.049 126.154 121.223 -0.197 0.000 2.043 265 L HA -0.106 4.233 4.340 -0.001 0.000 0.212 265 L C 2.002 178.791 176.870 -0.134 0.000 1.075 265 L CA 2.481 57.054 54.840 -0.445 0.000 0.752 265 L CB -0.825 41.009 42.059 -0.374 0.000 0.891 265 L HN 0.600 nan 8.230 nan 0.000 0.432 266 A N -1.739 121.071 122.820 -0.017 0.000 1.940 266 A HA -0.200 4.119 4.320 -0.001 0.000 0.219 266 A C 2.400 180.054 177.584 0.117 0.000 1.176 266 A CA 2.060 54.149 52.037 0.086 0.000 0.631 266 A CB -0.904 18.215 19.000 0.199 0.000 0.814 266 A HN 0.544 nan 8.150 nan 0.000 0.446 267 S N -0.594 115.172 115.700 0.109 0.000 2.368 267 S HA -0.094 4.375 4.470 -0.001 0.000 0.224 267 S C 1.898 176.598 174.600 0.167 0.000 1.029 267 S CA 1.236 59.534 58.200 0.162 0.000 0.988 267 S CB -0.397 62.882 63.200 0.132 0.000 0.838 267 S HN 0.347 nan 8.310 nan 0.000 0.462 268 V N 2.382 122.351 119.914 0.092 0.000 2.287 268 V HA -0.184 3.936 4.120 -0.001 0.000 0.248 268 V C 2.167 178.352 176.094 0.151 0.000 1.053 268 V CA 1.623 63.980 62.300 0.094 0.000 1.027 268 V CB -0.745 31.078 31.823 -0.001 0.000 0.646 268 V HN 0.428 nan 8.190 nan 0.000 0.447 269 L N -0.334 120.984 121.223 0.158 0.000 2.083 269 L HA -0.140 4.199 4.340 -0.001 0.000 0.209 269 L C 2.610 179.750 176.870 0.450 0.000 1.083 269 L CA 1.486 56.490 54.840 0.272 0.000 0.752 269 L CB -0.648 41.581 42.059 0.283 0.000 0.899 269 L HN 0.299 nan 8.230 nan 0.000 0.433 270 S N 0.281 116.239 115.700 0.430 0.000 2.356 270 S HA -0.194 4.275 4.470 -0.001 0.000 0.223 270 S C 1.870 176.763 174.600 0.489 0.000 1.032 270 S CA 1.406 59.951 58.200 0.576 0.000 1.005 270 S CB -0.418 63.089 63.200 0.511 0.000 0.867 270 S HN 0.271 nan 8.310 nan 0.000 0.449 271 L N 1.931 123.379 121.223 0.375 0.000 2.042 271 L HA -0.161 4.178 4.340 -0.001 0.000 0.210 271 L C 2.221 179.230 176.870 0.231 0.000 1.076 271 L CA 1.804 56.827 54.840 0.305 0.000 0.749 271 L CB -0.885 41.307 42.059 0.220 0.000 0.893 271 L HN 0.287 nan 8.230 nan 0.000 0.432 272 Q N -0.613 119.309 119.800 0.203 0.000 2.084 272 Q HA -0.276 4.063 4.340 -0.001 0.000 0.202 272 Q C 2.311 178.363 176.000 0.086 0.000 0.978 272 Q CA 2.086 57.970 55.803 0.135 0.000 0.844 272 Q CB -0.223 28.592 28.738 0.128 0.000 0.898 272 Q HN 0.531 nan 8.270 nan 0.000 0.426 273 K N 0.017 120.480 120.400 0.104 0.000 2.057 273 K HA -0.115 4.204 4.320 -0.001 0.000 0.206 273 K C 2.041 178.574 176.600 -0.112 0.000 1.050 273 K CA 1.285 57.513 56.287 -0.098 0.000 0.935 273 K CB -0.272 32.051 32.500 -0.295 0.000 0.715 273 K HN 0.255 nan 8.250 nan 0.000 0.439 274 G N 1.329 110.191 108.800 0.103 0.000 2.418 274 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.217 274 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.217 274 G C 1.470 176.404 174.900 0.057 0.000 1.158 274 G CA 0.760 45.947 45.100 0.144 0.000 0.771 274 G HN 0.208 nan 8.290 nan 0.000 0.545 275 L N 0.109 121.378 121.223 0.077 0.000 2.042 275 L HA -0.106 4.234 4.340 -0.001 0.000 0.210 275 L C 2.921 179.791 176.870 0.000 0.000 1.076 275 L CA 1.515 56.386 54.840 0.050 0.000 0.749 275 L CB -0.425 41.674 42.059 0.066 0.000 0.893 275 L HN 0.287 nan 8.230 nan 0.000 0.432 276 E N -0.027 120.153 120.200 -0.034 0.000 2.051 276 E HA -0.215 4.134 4.350 -0.001 0.000 0.192 276 E C 2.276 178.814 176.600 -0.103 0.000 0.991 276 E CA 1.181 57.538 56.400 -0.071 0.000 0.799 276 E CB -0.223 29.415 29.700 -0.103 0.000 0.748 276 E HN 0.503 nan 8.360 nan 0.000 0.449 277 A N 1.252 123.978 122.820 -0.157 0.000 2.015 277 A HA -0.115 4.204 4.320 -0.001 0.000 0.219 277 A C 1.594 179.127 177.584 -0.085 0.000 1.163 277 A CA 1.017 52.952 52.037 -0.171 0.000 0.646 277 A CB -0.144 18.677 19.000 -0.299 0.000 0.806 277 A HN 0.151 nan 8.150 nan 0.000 0.448 278 N N -0.652 118.012 118.700 -0.060 0.000 2.235 278 N HA 0.289 5.028 4.740 -0.001 0.000 0.209 278 N C 0.498 175.984 175.510 -0.040 0.000 1.122 278 N CA 0.692 53.711 53.050 -0.052 0.000 0.845 278 N CB 0.437 38.908 38.487 -0.027 0.000 1.004 278 N HN 0.514 nan 8.380 nan 0.000 0.499 279 A N 0.801 123.598 122.820 -0.038 0.000 2.791 279 A HA -0.198 4.122 4.320 -0.001 0.000 0.292 279 A C -0.192 177.388 177.584 -0.007 0.000 1.487 279 A CA 0.777 52.798 52.037 -0.027 0.000 0.760 279 A CB -2.147 16.833 19.000 -0.034 0.000 1.031 279 A HN 0.330 nan 8.150 nan 0.000 0.503 280 L N -1.455 119.772 121.223 0.007 0.000 2.354 280 L HA 0.726 5.066 4.340 -0.001 0.000 0.269 280 L C 0.023 176.913 176.870 0.033 0.000 1.005 280 L CA -1.050 53.808 54.840 0.031 0.000 0.819 280 L CB 2.136 44.230 42.059 0.059 0.000 1.311 280 L HN 0.216 nan 8.230 nan 0.000 0.423 281 K N 1.788 122.211 120.400 0.039 0.000 2.292 281 K HA 0.878 5.197 4.320 -0.001 0.000 0.257 281 K C -1.073 175.558 176.600 0.052 0.000 0.940 281 K CA -0.251 56.061 56.287 0.041 0.000 0.811 281 K CB 2.249 34.769 32.500 0.033 0.000 1.120 281 K HN 0.663 nan 8.250 nan 0.000 0.428 282 A N 2.066 124.920 122.820 0.057 0.000 2.601 282 A HA 0.433 4.752 4.320 -0.001 0.000 0.291 282 A C -1.576 176.047 177.584 0.066 0.000 1.075 282 A CA -0.905 51.170 52.037 0.064 0.000 0.671 282 A CB 1.137 20.178 19.000 0.067 0.000 1.277 282 A HN 0.600 nan 8.150 nan 0.000 0.417 283 Q N 0.423 120.266 119.800 0.071 0.000 2.294 283 Q HA 0.537 4.876 4.340 -0.001 0.000 0.257 283 Q C -0.165 175.879 176.000 0.074 0.000 0.955 283 Q CA -0.169 55.677 55.803 0.073 0.000 0.936 283 Q CB 1.657 30.444 28.738 0.081 0.000 1.188 283 Q HN 0.886 nan 8.270 nan 0.000 0.420 284 A N 5.112 127.980 122.820 0.080 0.000 2.511 284 A HA 0.446 4.765 4.320 -0.001 0.000 0.340 284 A C -0.553 177.090 177.584 0.099 0.000 1.396 284 A CA -0.561 51.530 52.037 0.089 0.000 0.887 284 A CB 0.137 19.198 19.000 0.102 0.000 1.145 284 A HN 0.705 nan 8.150 nan 0.000 0.497 285 L N 2.369 123.651 121.223 0.097 0.000 2.307 285 L HA 0.343 4.682 4.340 -0.001 0.000 0.282 285 L C 0.497 177.469 176.870 0.170 0.000 1.051 285 L CA -0.559 54.350 54.840 0.116 0.000 0.804 285 L CB 1.365 43.476 42.059 0.088 0.000 1.197 285 L HN 0.742 nan 8.230 nan 0.000 0.431 286 H N 2.691 121.797 119.070 0.059 0.000 2.846 286 H HA 0.324 4.879 4.556 -0.001 0.000 0.278 286 H C -0.874 174.490 175.328 0.059 0.000 1.117 286 H CA -0.104 55.980 56.048 0.061 0.000 1.406 286 H CB 0.962 30.759 29.762 0.058 0.000 1.445 286 H HN 0.561 nan 8.280 nan 0.000 0.469 287 S N 4.117 119.850 115.700 0.055 0.000 2.535 287 S HA 0.031 4.500 4.470 -0.001 0.000 0.272 287 S C -1.518 173.121 174.600 0.065 0.000 1.149 287 S CA -0.996 57.214 58.200 0.016 0.000 0.888 287 S CB 1.597 64.832 63.200 0.058 0.000 1.110 287 S HN 0.814 nan 8.310 nan 0.000 0.463 288 D N 4.019 124.472 120.400 0.087 0.000 2.393 288 D HA 0.469 5.109 4.640 -0.001 0.000 0.232 288 D C 1.293 177.781 176.300 0.312 0.000 1.192 288 D CA 0.429 54.550 54.000 0.202 0.000 0.882 288 D CB -0.209 40.717 40.800 0.210 0.000 1.038 288 D HN 0.489 nan 8.370 nan 0.000 0.499 289 V N 3.376 123.451 119.914 0.268 0.000 0.690 289 V HA -0.420 3.699 4.120 -0.001 0.000 0.092 289 V C 1.346 177.523 176.094 0.139 0.000 0.791 289 V CA 2.038 64.467 62.300 0.215 0.000 3.101 289 V CB -1.120 30.796 31.823 0.155 0.000 0.196 289 V HN 0.815 nan 8.190 nan 0.000 0.102 290 D N 0.269 120.774 120.400 0.175 0.000 2.358 290 D HA 0.057 4.696 4.640 -0.001 0.000 0.224 290 D C 1.479 177.805 176.300 0.042 0.000 1.123 290 D CA 0.634 54.685 54.000 0.084 0.000 0.833 290 D CB 0.171 41.011 40.800 0.066 0.000 0.946 290 D HN 0.833 nan 8.370 nan 0.000 0.505 291 E N 1.339 121.577 120.200 0.063 0.000 2.130 291 E HA -0.237 4.112 4.350 -0.001 0.000 0.196 291 E C 1.531 178.104 176.600 -0.046 0.000 0.998 291 E CA 1.307 57.664 56.400 -0.072 0.000 0.806 291 E CB -0.005 29.706 29.700 0.017 0.000 0.738 291 E HN 0.323 nan 8.360 nan 0.000 0.459 292 A N 0.878 123.699 122.820 0.002 0.000 2.167 292 A HA 0.112 4.432 4.320 -0.001 0.000 0.214 292 A C 1.379 178.975 177.584 0.020 0.000 1.151 292 A CA 0.049 52.091 52.037 0.009 0.000 0.735 292 A CB -0.157 18.860 19.000 0.029 0.000 0.802 292 A HN 0.172 nan 8.150 nan 0.000 0.467 293 L N 0.673 121.913 121.223 0.028 0.000 2.439 293 L HA 0.269 4.608 4.340 -0.001 0.000 0.261 293 L C 1.098 177.980 176.870 0.019 0.000 1.153 293 L CA -0.520 54.352 54.840 0.053 0.000 0.808 293 L CB 0.717 42.840 42.059 0.108 0.000 1.126 293 L HN 0.326 nan 8.230 nan 0.000 0.460 294 T N -2.958 111.607 114.554 0.019 0.000 2.856 294 T HA 0.001 4.350 4.350 -0.001 0.000 0.306 294 T C 0.917 175.613 174.700 -0.007 0.000 1.062 294 T CA -0.464 61.633 62.100 -0.004 0.000 1.083 294 T CB 1.063 69.923 68.868 -0.012 0.000 0.984 294 T HN 0.766 nan 8.240 nan 0.000 0.542 295 E N 0.731 120.920 120.200 -0.019 0.000 2.130 295 E HA -0.225 4.124 4.350 -0.001 0.000 0.196 295 E C 2.017 178.607 176.600 -0.017 0.000 0.998 295 E CA 1.562 57.950 56.400 -0.019 0.000 0.806 295 E CB 0.016 29.701 29.700 -0.024 0.000 0.738 295 E HN 0.847 nan 8.360 nan 0.000 0.459 296 E N 0.268 120.452 120.200 -0.027 0.000 2.385 296 E HA 0.033 4.382 4.350 -0.001 0.000 0.194 296 E C 0.340 176.899 176.600 -0.068 0.000 1.013 296 E CA 0.435 56.810 56.400 -0.041 0.000 0.866 296 E CB -0.087 29.586 29.700 -0.044 0.000 0.832 296 E HN 0.174 nan 8.360 nan 0.000 0.500 297 A N 2.319 125.098 122.820 -0.068 0.000 2.524 297 A HA 0.198 4.518 4.320 -0.001 0.000 0.250 297 A C 0.109 177.561 177.584 -0.220 0.000 1.078 297 A CA -0.013 51.922 52.037 -0.171 0.000 0.761 297 A CB 0.163 19.109 19.000 -0.089 0.000 1.012 297 A HN 0.066 nan 8.150 nan 0.000 0.500 298 R N 0.806 121.042 120.500 -0.440 0.000 2.888 298 R HA 0.769 5.108 4.340 -0.001 0.000 0.266 298 R C -1.496 174.386 176.300 -0.697 0.000 1.020 298 R CA -0.486 55.415 56.100 -0.330 0.000 0.963 298 R CB 1.287 31.509 30.300 -0.129 0.000 1.197 298 R HN 0.631 nan 8.270 nan 0.000 0.481 299 F N -0.888 119.069 119.950 0.012 0.000 2.613 299 F HA 0.315 4.841 4.527 -0.001 0.000 0.314 299 F C 1.064 176.889 175.800 0.043 0.000 1.075 299 F CA -0.751 57.265 58.000 0.027 0.000 0.945 299 F CB 1.726 40.743 39.000 0.028 0.000 1.310 299 F HN 0.355 nan 8.300 nan 0.000 0.467 300 D N 0.761 121.305 120.400 0.239 0.000 2.240 300 D HA 0.195 4.834 4.640 -0.001 0.000 0.206 300 D C 0.208 176.630 176.300 0.203 0.000 0.963 300 D CA 1.448 55.553 54.000 0.176 0.000 0.863 300 D CB 0.935 41.818 40.800 0.138 0.000 0.973 300 D HN 0.196 nan 8.370 nan 0.000 0.501 301 I N 1.009 121.719 120.570 0.233 0.000 2.569 301 I HA 0.315 4.485 4.170 -0.001 0.000 0.290 301 I C -0.881 175.354 176.117 0.197 0.000 1.088 301 I CA -0.554 60.889 61.300 0.237 0.000 1.047 301 I CB 2.981 41.115 38.000 0.223 0.000 1.237 301 I HN -0.318 nan 8.210 nan 0.000 0.421 302 I N 6.485 127.198 120.570 0.237 0.000 2.498 302 I HA 0.526 4.695 4.170 -0.001 0.000 0.290 302 I C -0.624 175.676 176.117 0.305 0.000 1.032 302 I CA -0.992 60.417 61.300 0.181 0.000 1.073 302 I CB 2.171 40.249 38.000 0.131 0.000 1.251 302 I HN 0.271 nan 8.210 nan 0.000 0.426 303 V N 1.829 121.823 119.914 0.133 0.000 2.769 303 V HA 0.880 4.999 4.120 -0.001 0.000 0.312 303 V C -0.578 175.522 176.094 0.010 0.000 1.061 303 V CA -0.317 62.027 62.300 0.074 0.000 0.931 303 V CB 1.932 33.746 31.823 -0.014 0.000 1.010 303 V HN 0.816 nan 8.190 nan 0.000 0.433 304 T N 2.223 116.755 114.554 -0.036 0.000 3.097 304 T HA 0.401 4.750 4.350 -0.001 0.000 0.332 304 T C -1.633 173.030 174.700 -0.062 0.000 1.269 304 T CA -0.394 61.689 62.100 -0.028 0.000 1.076 304 T CB 1.516 70.433 68.868 0.081 0.000 1.209 304 T HN 1.116 nan 8.240 nan 0.000 0.474 305 N N 4.941 123.613 118.700 -0.047 0.000 2.816 305 N HA 0.465 5.204 4.740 -0.001 0.000 0.236 305 N C -2.612 172.889 175.510 -0.014 0.000 1.076 305 N CA -1.741 51.262 53.050 -0.078 0.000 0.902 305 N CB 0.976 39.393 38.487 -0.117 0.000 1.149 305 N HN 0.350 nan 8.380 nan 0.000 0.506 306 P HA 0.296 nan 4.420 nan 0.000 0.274 306 P C -2.556 174.764 177.300 0.033 0.000 1.246 306 P CA -0.961 62.214 63.100 0.125 0.000 0.795 306 P CB -0.193 31.579 31.700 0.121 0.000 1.006 307 P HA 0.173 nan 4.420 nan 0.000 0.270 307 P C -0.967 176.366 177.300 0.056 0.000 1.223 307 P CA 0.301 63.310 63.100 -0.152 0.000 0.785 307 P CB 0.170 31.731 31.700 -0.232 0.000 0.923 308 F N -2.904 117.020 119.950 -0.043 0.000 2.645 308 F HA 0.430 4.957 4.527 -0.001 0.000 0.310 308 F C -0.498 175.367 175.800 0.109 0.000 1.102 308 F CA -1.309 56.717 58.000 0.042 0.000 0.952 308 F CB 1.126 40.167 39.000 0.069 0.000 1.326 308 F HN 0.358 nan 8.300 nan 0.000 0.456 309 H N 2.425 121.586 119.070 0.152 0.000 2.742 309 H HA 0.452 5.007 4.556 -0.001 0.000 0.302 309 H C 1.266 176.710 175.328 0.192 0.000 1.069 309 H CA 0.130 56.223 56.048 0.075 0.000 1.446 309 H CB 1.777 31.576 29.762 0.061 0.000 1.462 309 H HN 1.014 nan 8.280 nan 0.000 0.499 310 V N 4.665 124.569 119.914 -0.016 0.000 2.262 310 V HA -0.372 3.747 4.120 -0.001 0.000 0.254 310 V C 1.801 177.908 176.094 0.020 0.000 1.050 310 V CA 2.832 65.147 62.300 0.025 0.000 1.080 310 V CB -1.119 nan 31.823 nan 0.000 0.711 310 V HN 0.874 nan 8.190 nan 0.000 0.479 311 G N -0.147 108.522 108.800 -0.218 0.000 3.605 311 G HA2 0.534 4.493 3.960 -0.001 0.000 0.277 311 G HA3 0.534 4.493 3.960 -0.001 0.000 0.277 311 G C 0.447 175.259 174.900 -0.146 0.000 1.093 311 G CA 0.769 45.797 45.100 -0.119 0.000 0.821 311 G HN 1.237 nan 8.290 nan 0.000 0.532 312 G N -0.999 107.669 108.800 -0.220 0.000 2.569 312 G HA2 0.459 4.418 3.960 -0.001 0.000 0.249 312 G HA3 0.459 4.418 3.960 -0.001 0.000 0.249 312 G C 0.753 175.712 174.900 0.097 0.000 1.216 312 G CA 0.317 45.429 45.100 0.021 0.000 0.845 312 G HN 0.436 nan 8.290 nan 0.000 0.568 313 A N 0.150 123.038 122.820 0.113 0.000 2.431 313 A HA 0.498 4.818 4.320 -0.001 0.000 0.239 313 A C 0.730 178.335 177.584 0.035 0.000 1.230 313 A CA 0.686 52.778 52.037 0.091 0.000 0.928 313 A CB -0.083 18.979 19.000 0.103 0.000 1.006 313 A HN 1.502 nan 8.150 nan 0.000 0.520 314 V N -1.901 118.043 119.914 0.050 0.000 2.715 314 V HA 0.668 4.787 4.120 -0.001 0.000 0.310 314 V C -0.346 175.730 176.094 -0.029 0.000 1.054 314 V CA -1.145 61.148 62.300 -0.012 0.000 0.928 314 V CB 1.333 33.156 31.823 0.000 0.000 1.007 314 V HN 0.183 nan 8.190 nan 0.000 0.437 315 I N 4.276 124.771 120.570 -0.126 0.000 2.471 315 I HA 0.221 4.390 4.170 -0.001 0.000 0.286 315 I C 0.405 176.468 176.117 -0.089 0.000 1.079 315 I CA -0.087 61.112 61.300 -0.167 0.000 1.398 315 I CB 0.863 38.625 38.000 -0.397 0.000 1.403 315 I HN 0.539 nan 8.210 nan 0.000 0.530 316 L N 6.027 127.222 121.223 -0.047 0.000 2.483 316 L HA -0.001 4.338 4.340 -0.001 0.000 0.275 316 L C 1.302 178.123 176.870 -0.083 0.000 1.220 316 L CA -0.169 54.635 54.840 -0.059 0.000 0.833 316 L CB 0.237 42.257 42.059 -0.066 0.000 1.102 316 L HN 0.617 nan 8.230 nan 0.000 0.490 317 D N 1.304 121.672 120.400 -0.054 0.000 2.133 317 D HA -0.163 4.477 4.640 -0.001 0.000 0.195 317 D C 2.053 178.295 176.300 -0.096 0.000 0.997 317 D CA 1.103 55.092 54.000 -0.018 0.000 0.840 317 D CB 0.032 40.873 40.800 0.069 0.000 0.947 317 D HN 0.367 nan 8.370 nan 0.000 0.452 318 V N 1.336 121.156 119.914 -0.157 0.000 2.287 318 V HA -0.255 3.864 4.120 -0.001 0.000 0.248 318 V C 2.536 178.234 176.094 -0.661 0.000 1.053 318 V CA 1.892 63.933 62.300 -0.433 0.000 1.027 318 V CB -0.817 30.770 31.823 -0.394 0.000 0.646 318 V HN 0.211 nan 8.190 nan 0.000 0.447 319 A N -0.946 121.591 122.820 -0.472 0.000 1.933 319 A HA -0.297 4.022 4.320 -0.001 0.000 0.218 319 A C 2.248 179.811 177.584 -0.036 0.000 1.175 319 A CA 2.051 53.899 52.037 -0.315 0.000 0.628 319 A CB -0.523 18.462 19.000 -0.024 0.000 0.814 319 A HN 0.606 nan 8.150 nan 0.000 0.444 320 Q N -0.563 119.197 119.800 -0.066 0.000 2.084 320 Q HA -0.118 4.221 4.340 -0.001 0.000 0.202 320 Q C 2.181 178.160 176.000 -0.037 0.000 0.978 320 Q CA 1.545 57.339 55.803 -0.016 0.000 0.844 320 Q CB -0.353 28.354 28.738 -0.053 0.000 0.898 320 Q HN 0.611 nan 8.270 nan 0.000 0.426 321 A N 0.184 122.900 122.820 -0.172 0.000 1.940 321 A HA -0.180 4.140 4.320 -0.001 0.000 0.219 321 A C 1.723 179.297 177.584 -0.016 0.000 1.176 321 A CA 1.171 53.064 52.037 -0.241 0.000 0.631 321 A CB -0.826 17.690 19.000 -0.807 0.000 0.814 321 A HN 0.473 nan 8.150 nan 0.000 0.446 322 F N 0.036 119.883 119.950 -0.172 0.000 2.126 322 F HA -0.152 4.375 4.527 -0.001 0.000 0.299 322 F C 2.561 178.315 175.800 -0.076 0.000 1.096 322 F CA 1.015 58.962 58.000 -0.089 0.000 1.255 322 F CB -1.099 37.903 39.000 0.003 0.000 0.997 322 F HN 0.052 nan 8.300 nan 0.000 0.479 323 V N 0.360 120.397 119.914 0.205 0.000 2.307 323 V HA -0.284 3.835 4.120 -0.001 0.000 0.245 323 V C 2.186 178.224 176.094 -0.093 0.000 1.045 323 V CA 1.885 64.239 62.300 0.089 0.000 1.024 323 V CB -0.695 31.273 31.823 0.243 0.000 0.651 323 V HN 0.276 nan 8.190 nan 0.000 0.449 324 N N 0.293 118.956 118.700 -0.061 0.000 2.120 324 N HA -0.123 4.616 4.740 -0.001 0.000 0.188 324 N C 1.771 177.193 175.510 -0.146 0.000 1.024 324 N CA 1.340 54.320 53.050 -0.116 0.000 0.852 324 N CB -0.611 37.835 38.487 -0.069 0.000 1.003 324 N HN 0.356 nan 8.380 nan 0.000 0.424 325 V N 1.593 121.444 119.914 -0.106 0.000 2.358 325 V HA -0.161 3.958 4.120 -0.001 0.000 0.246 325 V C 2.425 178.417 176.094 -0.171 0.000 1.047 325 V CA 1.657 63.900 62.300 -0.096 0.000 1.035 325 V CB -0.970 30.826 31.823 -0.047 0.000 0.658 325 V HN 0.290 nan 8.190 nan 0.000 0.452 326 A N 0.169 122.816 122.820 -0.288 0.000 1.883 326 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 326 A C 2.445 179.848 177.584 -0.301 0.000 1.186 326 A CA 2.317 54.106 52.037 -0.413 0.000 0.624 326 A CB -0.879 17.455 19.000 -1.110 0.000 0.822 326 A HN 0.583 nan 8.150 nan 0.000 0.444 327 A N -0.352 122.193 122.820 -0.458 0.000 1.902 327 A HA 0.143 4.462 4.320 -0.001 0.000 0.217 327 A C 2.462 179.839 177.584 -0.346 0.000 1.181 327 A CA 2.187 53.793 52.037 -0.718 0.000 0.623 327 A CB -0.925 17.454 19.000 -1.034 0.000 0.818 327 A HN 1.122 nan 8.150 nan 0.000 0.443 328 A N -1.292 121.390 122.820 -0.230 0.000 2.014 328 A HA -0.011 4.308 4.320 -0.001 0.000 0.218 328 A C 2.105 179.660 177.584 -0.049 0.000 1.163 328 A CA 0.947 52.911 52.037 -0.123 0.000 0.652 328 A CB -0.209 18.740 19.000 -0.085 0.000 0.808 328 A HN 0.361 nan 8.150 nan 0.000 0.449 329 R N -0.902 119.588 120.500 -0.016 0.000 2.312 329 R HA 0.300 4.639 4.340 -0.001 0.000 0.205 329 R C -0.184 176.210 176.300 0.158 0.000 0.904 329 R CA -0.056 56.107 56.100 0.105 0.000 1.052 329 R CB -0.299 30.105 30.300 0.173 0.000 1.014 329 R HN 0.406 nan 8.270 nan 0.000 0.503 330 L N 2.010 123.283 121.223 0.084 0.000 2.349 330 L HA 0.215 4.554 4.340 -0.001 0.000 0.275 330 L C 0.792 177.704 176.870 0.069 0.000 1.115 330 L CA -0.187 54.723 54.840 0.116 0.000 0.820 330 L CB 0.815 42.954 42.059 0.133 0.000 1.135 330 L HN -0.161 nan 8.230 nan 0.000 0.445 331 R N 3.328 123.870 120.500 0.070 0.000 2.641 331 R HA 0.204 4.543 4.340 -0.001 0.000 0.269 331 R C -2.218 174.111 176.300 0.048 0.000 1.074 331 R CA -1.603 54.520 56.100 0.038 0.000 1.133 331 R CB 0.105 30.420 30.300 0.025 0.000 1.029 331 R HN 0.319 nan 8.270 nan 0.000 0.488 332 P HA -0.077 nan 4.420 nan 0.000 0.264 332 P C 0.487 177.817 177.300 0.051 0.000 1.183 332 P CA 1.061 64.184 63.100 0.039 0.000 0.763 332 P CB 0.496 32.211 31.700 0.026 0.000 0.807 333 G N 1.733 110.570 108.800 0.061 0.000 2.225 333 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.254 333 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.254 333 G C 0.669 175.619 174.900 0.084 0.000 0.988 333 G CA -0.088 45.054 45.100 0.070 0.000 0.625 333 G HN 0.900 nan 8.290 nan 0.000 0.527 334 G N -0.586 108.266 108.800 0.087 0.000 2.594 334 G HA2 0.636 4.595 3.960 -0.001 0.000 0.243 334 G HA3 0.636 4.595 3.960 -0.001 0.000 0.243 334 G C 0.255 175.196 174.900 0.068 0.000 1.229 334 G CA 0.653 45.816 45.100 0.105 0.000 0.843 334 G HN 1.654 nan 8.290 nan 0.000 0.578 335 V N -1.315 118.643 119.914 0.073 0.000 2.914 335 V HA 0.847 4.966 4.120 -0.001 0.000 0.314 335 V C -1.178 174.888 176.094 -0.045 0.000 1.084 335 V CA -1.363 60.870 62.300 -0.112 0.000 0.963 335 V CB 1.904 33.733 31.823 0.010 0.000 1.025 335 V HN 0.639 nan 8.190 nan 0.000 0.432 336 F N 3.704 123.274 119.950 -0.634 0.000 2.529 336 F HA 0.863 5.389 4.527 -0.001 0.000 0.320 336 F C -1.527 173.920 175.800 -0.588 0.000 1.118 336 F CA -2.242 55.492 58.000 -0.443 0.000 0.915 336 F CB 1.797 40.471 39.000 -0.544 0.000 1.161 336 F HN 0.515 nan 8.300 nan 0.000 0.445 337 F N 6.966 126.595 119.950 -0.536 0.000 2.493 337 F HA 0.649 5.175 4.527 -0.001 0.000 0.329 337 F C -0.934 174.378 175.800 -0.813 0.000 1.126 337 F CA -0.855 56.838 58.000 -0.512 0.000 0.937 337 F CB 1.972 40.869 39.000 -0.171 0.000 1.146 337 F HN 0.468 nan 8.300 nan 0.000 0.442 338 L N 4.396 125.255 121.223 -0.606 0.000 2.408 338 L HA 0.867 5.206 4.340 -0.001 0.000 0.268 338 L C -1.818 174.864 176.870 -0.314 0.000 0.986 338 L CA -0.815 53.697 54.840 -0.546 0.000 0.820 338 L CB 2.019 43.628 42.059 -0.751 0.000 1.303 338 L HN 0.487 nan 8.230 nan 0.000 0.411 339 V N 4.286 124.051 119.914 -0.249 0.000 2.604 339 V HA 0.909 5.028 4.120 -0.001 0.000 0.305 339 V C -0.525 175.463 176.094 -0.178 0.000 1.043 339 V CA 0.533 62.732 62.300 -0.169 0.000 0.888 339 V CB 2.133 33.876 31.823 -0.133 0.000 0.995 339 V HN 1.038 nan 8.190 nan 0.000 0.429 340 S N 5.051 120.704 115.700 -0.079 0.000 2.656 340 S HA 0.450 4.920 4.470 -0.001 0.000 0.273 340 S C -0.659 174.018 174.600 0.127 0.000 1.168 340 S CA -0.816 57.378 58.200 -0.009 0.000 0.817 340 S CB 1.393 64.609 63.200 0.026 0.000 1.146 340 S HN 0.960 nan 8.310 nan 0.000 0.475 341 N N 1.030 119.778 118.700 0.079 0.000 2.353 341 N HA 0.107 4.846 4.740 -0.001 0.000 0.248 341 N C -1.710 173.853 175.510 0.089 0.000 1.240 341 N CA -0.789 52.291 53.050 0.050 0.000 0.862 341 N CB 0.744 39.218 38.487 -0.022 0.000 1.086 341 N HN 0.327 nan 8.380 nan 0.000 0.453 342 P HA -0.080 nan 4.420 nan 0.000 0.221 342 P C 0.383 177.801 177.300 0.197 0.000 1.145 342 P CA 1.085 64.251 63.100 0.109 0.000 0.795 342 P CB 0.005 31.745 31.700 0.067 0.000 0.775 343 F N -1.107 118.846 119.950 0.005 0.000 2.639 343 F HA 0.280 4.806 4.527 -0.001 0.000 0.302 343 F C 0.483 176.285 175.800 0.004 0.000 1.097 343 F CA -0.570 57.432 58.000 0.004 0.000 1.294 343 F CB -0.105 38.889 39.000 -0.010 0.000 1.027 343 F HN -0.290 nan 8.300 nan 0.000 0.550 344 L N 1.443 122.662 121.223 -0.006 0.000 2.331 344 L HA 0.205 4.544 4.340 -0.001 0.000 0.278 344 L C 0.683 177.430 176.870 -0.205 0.000 1.106 344 L CA -0.265 54.508 54.840 -0.111 0.000 0.824 344 L CB 0.838 42.906 42.059 0.015 0.000 1.142 344 L HN -0.057 nan 8.230 nan 0.000 0.443 345 K N 3.641 123.831 120.400 -0.350 0.000 3.006 345 K HA 0.045 4.364 4.320 -0.001 0.000 0.265 345 K C 0.079 176.499 176.600 -0.301 0.000 1.279 345 K CA 0.043 56.140 56.287 -0.316 0.000 1.229 345 K CB -0.074 32.244 32.500 -0.304 0.000 1.555 345 K HN 0.466 nan 8.250 nan 0.000 0.300 346 Y N 0.663 120.867 120.300 -0.161 0.000 2.395 346 Y HA -0.142 4.407 4.550 -0.001 0.000 0.293 346 Y C 1.757 177.497 175.900 -0.266 0.000 1.123 346 Y CA 0.834 58.842 58.100 -0.154 0.000 1.227 346 Y CB 0.182 38.572 38.460 -0.118 0.000 1.012 346 Y HN 0.329 nan 8.280 nan 0.000 0.552 347 E N 0.395 120.441 120.200 -0.257 0.000 2.049 347 E HA -0.222 4.127 4.350 -0.001 0.000 0.198 347 E C -0.455 175.904 176.600 -0.402 0.000 1.007 347 E CA 2.055 58.053 56.400 -0.671 0.000 0.809 347 E CB -1.632 27.759 29.700 -0.513 0.000 0.749 347 E HN 0.343 nan 8.360 nan 0.000 0.450 348 P HA -0.151 nan 4.420 nan 0.000 0.218 348 P C 1.256 178.538 177.300 -0.031 0.000 1.148 348 P CA 1.225 64.288 63.100 -0.063 0.000 0.822 348 P CB 0.002 31.669 31.700 -0.056 0.000 0.784 349 L N -1.593 119.609 121.223 -0.036 0.000 2.046 349 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 349 L C 2.609 179.539 176.870 0.100 0.000 1.077 349 L CA 1.127 55.984 54.840 0.029 0.000 0.747 349 L CB -1.146 40.950 42.059 0.061 0.000 0.896 349 L HN -0.071 nan 8.230 nan 0.000 0.432 350 L N -0.180 121.102 121.223 0.099 0.000 2.093 350 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 350 L C 2.535 179.579 176.870 0.290 0.000 1.085 350 L CA 1.473 56.462 54.840 0.248 0.000 0.755 350 L CB -0.516 41.600 42.059 0.095 0.000 0.904 350 L HN 0.208 nan 8.230 nan 0.000 0.435 351 E N -0.428 119.887 120.200 0.192 0.000 2.077 351 E HA -0.275 4.074 4.350 -0.001 0.000 0.193 351 E C 2.183 178.879 176.600 0.160 0.000 0.989 351 E CA 1.343 57.892 56.400 0.249 0.000 0.800 351 E CB -0.012 29.832 29.700 0.241 0.000 0.746 351 E HN 0.476 nan 8.360 nan 0.000 0.452 352 E N -0.119 120.141 120.200 0.100 0.000 2.072 352 E HA -0.204 4.145 4.350 -0.001 0.000 0.191 352 E C 1.579 178.190 176.600 0.018 0.000 0.985 352 E CA 0.945 57.374 56.400 0.049 0.000 0.801 352 E CB 0.210 29.923 29.700 0.021 0.000 0.750 352 E HN 0.027 nan 8.360 nan 0.000 0.452 353 K N -0.697 119.713 120.400 0.015 0.000 2.262 353 K HA 0.014 4.333 4.320 -0.001 0.000 0.200 353 K C 1.553 177.963 176.600 -0.318 0.000 1.049 353 K CA 0.597 56.786 56.287 -0.164 0.000 0.979 353 K CB 0.102 32.455 32.500 -0.244 0.000 0.773 353 K HN 0.186 nan 8.250 nan 0.000 0.474 354 F N -0.714 119.243 119.950 0.010 0.000 2.712 354 F HA 0.204 4.730 4.527 -0.001 0.000 0.297 354 F C 1.525 177.342 175.800 0.028 0.000 1.114 354 F CA 0.539 58.544 58.000 0.009 0.000 1.305 354 F CB 0.778 39.788 39.000 0.017 0.000 1.086 354 F HN 0.193 nan 8.300 nan 0.000 0.599 355 G N 0.610 109.538 108.800 0.214 0.000 2.258 355 G HA2 0.023 3.983 3.960 -0.001 0.000 0.233 355 G HA3 0.023 3.983 3.960 -0.001 0.000 0.233 355 G C 0.170 175.169 174.900 0.165 0.000 1.006 355 G CA -0.052 45.137 45.100 0.148 0.000 0.620 355 G HN 0.856 nan 8.290 nan 0.000 0.511 356 A N -1.017 121.933 122.820 0.217 0.000 2.601 356 A HA 1.009 5.328 4.320 -0.001 0.000 0.291 356 A C -0.875 176.860 177.584 0.252 0.000 1.075 356 A CA 0.075 52.217 52.037 0.175 0.000 0.671 356 A CB 0.973 20.012 19.000 0.065 0.000 1.277 356 A HN 1.933 nan 8.150 nan 0.000 0.417 357 F N -1.424 118.546 119.950 0.035 0.000 2.686 357 F HA 0.818 5.344 4.527 -0.001 0.000 0.311 357 F C -0.958 174.872 175.800 0.049 0.000 1.128 357 F CA -0.765 57.237 58.000 0.003 0.000 0.946 357 F CB 1.185 40.184 39.000 -0.002 0.000 1.336 357 F HN 0.618 nan 8.300 nan 0.000 0.457 358 Q N 0.347 120.219 119.800 0.120 0.000 2.413 358 Q HA 0.571 4.911 4.340 -0.001 0.000 0.276 358 Q C -1.513 174.607 176.000 0.201 0.000 1.099 358 Q CA -1.309 54.507 55.803 0.022 0.000 0.814 358 Q CB 2.735 31.506 28.738 0.055 0.000 1.379 358 Q HN 0.732 nan 8.270 nan 0.000 0.436 359 T N 2.228 116.853 114.554 0.118 0.000 2.801 359 T HA 0.311 4.660 4.350 -0.001 0.000 0.306 359 T C 0.936 175.676 174.700 0.066 0.000 1.020 359 T CA -0.258 61.929 62.100 0.145 0.000 0.948 359 T CB 0.287 69.251 68.868 0.161 0.000 0.962 359 T HN 0.406 nan 8.240 nan 0.000 0.465 360 L N 1.379 122.640 121.223 0.064 0.000 2.307 360 L HA 0.281 4.620 4.340 -0.001 0.000 0.211 360 L C 0.915 177.808 176.870 0.038 0.000 1.099 360 L CA 0.623 55.480 54.840 0.028 0.000 0.816 360 L CB -0.044 42.038 42.059 0.040 0.000 0.952 360 L HN 0.297 nan 8.230 nan 0.000 0.455 361 K N 0.299 120.733 120.400 0.057 0.000 2.523 361 K HA 0.548 4.867 4.320 -0.001 0.000 0.257 361 K C -1.523 175.116 176.600 0.065 0.000 0.932 361 K CA -0.339 55.981 56.287 0.055 0.000 0.812 361 K CB 3.419 35.956 32.500 0.061 0.000 1.326 361 K HN -0.332 nan 8.250 nan 0.000 0.433 362 V N 1.530 121.478 119.914 0.056 0.000 2.559 362 V HA 0.661 4.780 4.120 -0.001 0.000 0.289 362 V C -0.883 175.232 176.094 0.036 0.000 1.036 362 V CA 0.025 62.359 62.300 0.056 0.000 0.887 362 V CB 1.133 32.995 31.823 0.064 0.000 1.022 362 V HN 1.031 nan 8.190 nan 0.000 0.442 363 A N 4.375 127.211 122.820 0.027 0.000 2.098 363 A HA 0.438 4.757 4.320 -0.001 0.000 0.179 363 A C 1.209 178.750 177.584 -0.070 0.000 1.358 363 A CA 0.644 52.677 52.037 -0.006 0.000 1.998 363 A CB -0.056 18.950 19.000 0.010 0.000 2.323 363 A HN 0.633 nan 8.150 nan 0.000 0.955 364 E N -1.556 118.576 120.200 -0.115 0.000 2.150 364 E HA -0.034 4.316 4.350 -0.001 0.000 0.193 364 E C -0.554 175.631 176.600 -0.693 0.000 0.985 364 E CA 0.981 57.158 56.400 -0.370 0.000 0.814 364 E CB -0.033 29.442 29.700 -0.374 0.000 0.752 364 E HN 0.523 nan 8.360 nan 0.000 0.466 365 Y N -0.619 119.676 120.300 -0.009 0.000 2.634 365 Y HA 0.309 4.858 4.550 -0.001 0.000 0.340 365 Y C -0.571 175.328 175.900 -0.003 0.000 1.058 365 Y CA -1.309 56.780 58.100 -0.018 0.000 1.081 365 Y CB 1.253 39.692 38.460 -0.034 0.000 1.295 365 Y HN -0.273 nan 8.280 nan 0.000 0.487 366 K N 0.179 120.677 120.400 0.163 0.000 2.207 366 K HA 0.816 5.135 4.320 -0.001 0.000 0.255 366 K C -1.805 174.831 176.600 0.060 0.000 0.941 366 K CA -0.830 55.516 56.287 0.099 0.000 0.825 366 K CB 2.035 34.586 32.500 0.085 0.000 1.119 366 K HN 0.395 nan 8.250 nan 0.000 0.430 367 V N 4.763 124.711 119.914 0.056 0.000 2.347 367 V HA 0.306 4.425 4.120 -0.001 0.000 0.280 367 V C -0.229 175.891 176.094 0.043 0.000 1.021 367 V CA -0.806 61.514 62.300 0.034 0.000 0.847 367 V CB 0.798 32.664 31.823 0.073 0.000 0.990 367 V HN 0.671 nan 8.190 nan 0.000 0.444 368 L N 4.870 126.074 121.223 -0.031 0.000 2.344 368 L HA 0.676 5.015 4.340 -0.001 0.000 0.272 368 L C -0.705 176.114 176.870 -0.085 0.000 1.035 368 L CA -0.467 54.369 54.840 -0.008 0.000 0.807 368 L CB 1.713 43.724 42.059 -0.080 0.000 1.237 368 L HN 0.605 nan 8.230 nan 0.000 0.442 369 F N 1.479 121.302 119.950 -0.213 0.000 2.578 369 F HA 0.801 5.327 4.527 -0.001 0.000 0.311 369 F C -0.899 174.712 175.800 -0.315 0.000 1.094 369 F CA -0.427 57.317 58.000 -0.427 0.000 0.923 369 F CB 1.801 40.549 39.000 -0.420 0.000 1.230 369 F HN 0.486 nan 8.300 nan 0.000 0.450 370 A N 4.126 126.168 122.820 -1.296 0.000 2.572 370 A HA 0.616 4.936 4.320 -0.001 0.000 0.295 370 A C -1.747 175.066 177.584 -1.284 0.000 1.072 370 A CA -0.697 50.677 52.037 -1.105 0.000 0.691 370 A CB 1.782 20.049 19.000 -1.221 0.000 1.291 370 A HN 0.812 nan 8.150 nan 0.000 0.404 371 E N 0.830 120.647 120.200 -0.638 0.000 2.187 371 E HA 0.464 4.813 4.350 -0.001 0.000 0.268 371 E C -0.773 175.857 176.600 0.050 0.000 0.896 371 E CA -0.811 55.418 56.400 -0.285 0.000 0.766 371 E CB 1.205 30.865 29.700 -0.068 0.000 1.142 371 E HN 0.480 nan 8.360 nan 0.000 0.408 372 K N 2.399 122.887 120.400 0.148 0.000 2.412 372 K HA 0.182 4.502 4.320 -0.001 0.000 0.284 372 K C 0.019 176.687 176.600 0.112 0.000 1.046 372 K CA 0.281 56.693 56.287 0.210 0.000 0.999 372 K CB 0.371 32.964 32.500 0.155 0.000 0.941 372 K HN 0.529 nan 8.250 nan 0.000 0.474 373 R N 0.000 120.560 120.500 0.099 0.000 2.786 373 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 373 R CA 0.000 56.137 56.100 0.062 0.000 0.921 373 R CB 0.000 30.335 30.300 0.059 0.000 0.687 373 R HN 0.000 nan 8.270 nan 0.000 0.535