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 1v9m_1_A DATA FIRST_RESID 5 DATA SEQUENCE FAYLNARVRV RRGTLLKESF FQEALDLSFA DFLRLLSETV YGGELAGQGL DATA SEQUENCE PDVDRAVLRT QAKLVGDLPR LVTGEAREAV RLLLLRNDLH NLQALLRAKA DATA SEQUENCE TGRPFEEVLL LPGTLREEVW RQAYEAQDPA GMAQVLAVPG HPLARALRAV DATA SEQUENCE LRETQDLARV EALLAKRFFE DVAKXXXXXX XPALRDYLAL EVDAENLRTA DATA SEQUENCE FKLQGSGLAP DAFFLKGGRF VDRVRFARLM EGDYAVLDEL SGTPFSGLSG DATA SEQUENCE VRDLKALERG LRcVLLKEAK KGVQDPLGVG LVLAYVKERE WEAVRLRLLA DATA SEQUENCE RRAYFGLPRA QVEEEVVcP 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 5 F HA 0.000 nan 4.527 nan 0.000 0.279 5 F C 0.000 175.824 175.800 0.041 0.000 0.967 5 F CA 0.000 58.026 58.000 0.042 0.000 1.383 5 F CB 0.000 39.015 39.000 0.026 0.000 1.145 6 A N -0.057 122.895 122.820 0.220 0.000 1.908 6 A HA -0.233 4.086 4.320 -0.003 0.000 0.218 6 A C 1.915 179.581 177.584 0.135 0.000 1.181 6 A CA 2.293 54.419 52.037 0.148 0.000 0.627 6 A CB -1.087 17.985 19.000 0.120 0.000 0.818 6 A HN 0.494 nan 8.150 nan 0.000 0.445 7 Y N -0.209 120.107 120.300 0.026 0.000 2.184 7 Y HA -0.089 4.457 4.550 -0.007 0.000 0.290 7 Y C 2.044 177.945 175.900 0.001 0.000 1.129 7 Y CA 1.567 59.667 58.100 0.002 0.000 1.144 7 Y CB -0.456 37.994 38.460 -0.017 0.000 0.995 7 Y HN 0.238 nan 8.280 nan 0.000 0.513 8 L N 1.109 122.328 121.223 -0.006 0.000 2.012 8 L HA -0.268 4.070 4.340 -0.003 0.000 0.210 8 L C 1.729 178.536 176.870 -0.106 0.000 1.073 8 L CA 2.230 57.023 54.840 -0.079 0.000 0.748 8 L CB -1.203 40.883 42.059 0.044 0.000 0.891 8 L HN 0.188 nan 8.230 nan 0.000 0.431 9 N N -0.037 118.657 118.700 -0.010 0.000 2.223 9 N HA -0.104 4.635 4.740 -0.003 0.000 0.185 9 N C 1.803 177.247 175.510 -0.110 0.000 1.016 9 N CA 1.419 54.450 53.050 -0.032 0.000 0.863 9 N CB -0.468 38.035 38.487 0.026 0.000 0.983 9 N HN 0.566 nan 8.380 nan 0.000 0.429 10 A N 1.100 123.832 122.820 -0.146 0.000 1.873 10 A HA -0.078 4.240 4.320 -0.003 0.000 0.215 10 A C 2.112 179.549 177.584 -0.245 0.000 1.186 10 A CA 1.076 53.010 52.037 -0.172 0.000 0.616 10 A CB -0.206 18.694 19.000 -0.166 0.000 0.823 10 A HN 0.066 nan 8.150 nan 0.000 0.442 11 R N -0.315 119.963 120.500 -0.369 0.000 2.120 11 R HA -0.058 4.280 4.340 -0.003 0.000 0.234 11 R C 2.052 178.164 176.300 -0.312 0.000 1.123 11 R CA 1.321 57.212 56.100 -0.349 0.000 0.975 11 R CB -1.362 28.689 30.300 -0.416 0.000 0.866 11 R HN 0.437 nan 8.270 nan 0.000 0.446 12 V N 1.107 120.831 119.914 -0.316 0.000 2.379 12 V HA -0.169 3.949 4.120 -0.003 0.000 0.245 12 V C 2.490 178.341 176.094 -0.405 0.000 1.044 12 V CA 1.477 63.500 62.300 -0.462 0.000 1.036 12 V CB -0.398 31.233 31.823 -0.320 0.000 0.664 12 V HN 0.267 nan 8.190 nan 0.000 0.453 13 R N -0.338 120.021 120.500 -0.236 0.000 2.105 13 R HA -0.130 4.209 4.340 -0.003 0.000 0.239 13 R C 2.215 178.422 176.300 -0.155 0.000 1.135 13 R CA 1.384 57.389 56.100 -0.159 0.000 0.967 13 R CB -0.585 29.653 30.300 -0.103 0.000 0.861 13 R HN 0.396 nan 8.270 nan 0.000 0.442 14 V N 0.935 120.745 119.914 -0.173 0.000 2.490 14 V HA -0.238 3.880 4.120 -0.003 0.000 0.250 14 V C 2.033 178.042 176.094 -0.141 0.000 1.061 14 V CA 1.761 63.978 62.300 -0.139 0.000 1.064 14 V CB -0.409 31.331 31.823 -0.139 0.000 0.670 14 V HN 0.329 nan 8.190 nan 0.000 0.461 15 R N -0.931 119.435 120.500 -0.223 0.000 2.265 15 R HA 0.160 4.498 4.340 -0.003 0.000 0.194 15 R C 2.317 178.574 176.300 -0.072 0.000 0.931 15 R CA -0.052 55.939 56.100 -0.183 0.000 1.032 15 R CB -0.085 30.049 30.300 -0.278 0.000 0.980 15 R HN 0.413 nan 8.270 nan 0.000 0.497 16 R N 0.325 120.755 120.500 -0.117 0.000 2.193 16 R HA -0.053 4.285 4.340 -0.003 0.000 0.229 16 R C 2.072 178.414 176.300 0.069 0.000 1.110 16 R CA 1.290 57.432 56.100 0.071 0.000 0.988 16 R CB -0.271 30.049 30.300 0.034 0.000 0.871 16 R HN 0.264 nan 8.270 nan 0.000 0.458 17 G N 0.624 109.431 108.800 0.013 0.000 2.471 17 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.219 17 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.219 17 G C 1.280 176.187 174.900 0.012 0.000 1.125 17 G CA 1.209 46.315 45.100 0.009 0.000 0.775 17 G HN 0.422 nan 8.290 nan 0.000 0.548 18 T N -1.230 113.333 114.554 0.015 0.000 3.145 18 T HA 0.453 4.801 4.350 -0.003 0.000 0.255 18 T C 0.780 175.482 174.700 0.003 0.000 1.039 18 T CA -0.500 61.592 62.100 -0.014 0.000 0.928 18 T CB -0.020 68.813 68.868 -0.058 0.000 1.029 18 T HN 0.041 nan 8.240 nan 0.000 0.554 19 L N 1.956 123.218 121.223 0.065 0.000 2.456 19 L HA 0.310 4.648 4.340 -0.003 0.000 0.272 19 L C 0.510 177.413 176.870 0.057 0.000 1.189 19 L CA -0.624 54.268 54.840 0.088 0.000 0.846 19 L CB 0.586 42.723 42.059 0.130 0.000 1.111 19 L HN 0.221 nan 8.230 nan 0.000 0.475 20 L N 4.229 125.483 121.223 0.051 0.000 2.416 20 L HA 0.143 4.482 4.340 -0.003 0.000 0.272 20 L C 0.433 177.361 176.870 0.097 0.000 1.161 20 L CA -0.529 54.271 54.840 -0.066 0.000 0.845 20 L CB 0.218 42.025 42.059 -0.420 0.000 1.119 20 L HN 0.516 nan 8.230 nan 0.000 0.464 21 K N 1.891 122.329 120.400 0.063 0.000 2.219 21 K HA -0.004 4.314 4.320 -0.003 0.000 0.258 21 K C 0.784 177.530 176.600 0.244 0.000 1.008 21 K CA -0.217 56.153 56.287 0.139 0.000 0.928 21 K CB 0.799 33.355 32.500 0.093 0.000 0.983 21 K HN 0.401 nan 8.250 nan 0.000 0.484 22 E N 1.046 121.409 120.200 0.271 0.000 2.204 22 E HA -0.143 4.205 4.350 -0.003 0.000 0.195 22 E C 1.476 178.238 176.600 0.270 0.000 0.990 22 E CA 1.518 58.133 56.400 0.357 0.000 0.821 22 E CB -0.048 29.790 29.700 0.230 0.000 0.750 22 E HN 0.621 nan 8.360 nan 0.000 0.477 23 S N -0.658 115.137 115.700 0.158 0.000 2.399 23 S HA -0.188 4.280 4.470 -0.003 0.000 0.231 23 S C 2.012 176.636 174.600 0.039 0.000 1.022 23 S CA 0.886 59.138 58.200 0.086 0.000 0.983 23 S CB -0.713 62.520 63.200 0.054 0.000 0.803 23 S HN 0.406 nan 8.310 nan 0.000 0.480 24 F N 1.969 121.832 119.950 -0.144 0.000 2.102 24 F HA 0.017 4.543 4.527 -0.001 0.000 0.298 24 F C 1.700 177.308 175.800 -0.320 0.000 1.105 24 F CA 1.362 59.168 58.000 -0.324 0.000 1.239 24 F CB -0.401 38.243 39.000 -0.593 0.000 0.991 24 F HN 0.160 nan 8.300 nan 0.000 0.474 25 F N 0.445 120.525 119.950 0.217 0.000 2.234 25 F HA -0.176 4.350 4.527 -0.003 0.000 0.299 25 F C 2.492 178.281 175.800 -0.018 0.000 1.087 25 F CA 0.967 59.027 58.000 0.101 0.000 1.340 25 F CB -1.106 37.950 39.000 0.093 0.000 1.031 25 F HN 0.005 nan 8.300 nan 0.000 0.500 26 Q N 0.463 120.350 119.800 0.145 0.000 2.050 26 Q HA -0.221 4.117 4.340 -0.003 0.000 0.202 26 Q C 2.256 178.248 176.000 -0.013 0.000 0.980 26 Q CA 1.616 57.461 55.803 0.069 0.000 0.840 26 Q CB -0.640 28.137 28.738 0.065 0.000 0.898 26 Q HN 0.557 nan 8.270 nan 0.000 0.424 27 E N 0.047 120.190 120.200 -0.094 0.000 2.072 27 E HA -0.097 4.251 4.350 -0.003 0.000 0.190 27 E C 1.852 178.354 176.600 -0.164 0.000 0.982 27 E CA 0.796 57.112 56.400 -0.140 0.000 0.803 27 E CB 0.019 29.599 29.700 -0.199 0.000 0.755 27 E HN 0.285 nan 8.360 nan 0.000 0.453 28 A N 1.108 123.765 122.820 -0.270 0.000 1.978 28 A HA -0.188 4.131 4.320 -0.003 0.000 0.220 28 A C 2.099 179.681 177.584 -0.004 0.000 1.170 28 A CA 1.140 53.084 52.037 -0.156 0.000 0.636 28 A CB -0.624 18.263 19.000 -0.187 0.000 0.810 28 A HN 0.388 nan 8.150 nan 0.000 0.448 29 L N -0.391 120.833 121.223 0.001 0.000 2.261 29 L HA -0.115 4.223 4.340 -0.003 0.000 0.216 29 L C 0.304 177.177 176.870 0.004 0.000 1.114 29 L CA 1.937 56.787 54.840 0.017 0.000 0.777 29 L CB -0.173 41.903 42.059 0.028 0.000 0.910 29 L HN 0.353 nan 8.230 nan 0.000 0.440 30 D N -0.830 119.566 120.400 -0.008 0.000 2.623 30 D HA 0.242 4.880 4.640 -0.003 0.000 0.252 30 D C -0.013 176.283 176.300 -0.006 0.000 1.294 30 D CA 0.018 54.014 54.000 -0.006 0.000 0.824 30 D CB 0.579 41.373 40.800 -0.009 0.000 1.070 30 D HN 0.250 nan 8.370 nan 0.000 0.487 31 L N 1.034 122.260 121.223 0.004 0.000 2.344 31 L HA 0.293 4.631 4.340 -0.003 0.000 0.272 31 L C 1.138 178.036 176.870 0.046 0.000 1.035 31 L CA -0.675 54.176 54.840 0.017 0.000 0.807 31 L CB 1.671 43.744 42.059 0.023 0.000 1.237 31 L HN -0.064 nan 8.230 nan 0.000 0.442 32 S N 0.328 116.055 115.700 0.045 0.000 2.608 32 S HA 0.085 4.553 4.470 -0.003 0.000 0.261 32 S C 0.807 175.489 174.600 0.136 0.000 1.314 32 S CA -0.348 57.895 58.200 0.071 0.000 0.992 32 S CB 0.577 63.806 63.200 0.049 0.000 0.935 32 S HN 0.521 nan 8.310 nan 0.000 0.564 33 F N 1.588 121.544 119.950 0.011 0.000 2.134 33 F HA 0.027 4.553 4.527 -0.002 0.000 0.299 33 F C 2.503 178.379 175.800 0.127 0.000 1.097 33 F CA 1.411 59.450 58.000 0.065 0.000 1.264 33 F CB -1.128 37.892 39.000 0.033 0.000 1.001 33 F HN 0.762 nan 8.300 nan 0.000 0.479 34 A N -0.130 122.737 122.820 0.079 0.000 1.908 34 A HA -0.218 4.100 4.320 -0.003 0.000 0.218 34 A C 2.033 179.580 177.584 -0.062 0.000 1.181 34 A CA 2.107 54.138 52.037 -0.010 0.000 0.627 34 A CB -0.998 18.023 19.000 0.036 0.000 0.818 34 A HN 0.405 nan 8.150 nan 0.000 0.445 35 D N -1.464 118.921 120.400 -0.025 0.000 2.178 35 D HA -0.082 4.557 4.640 -0.003 0.000 0.202 35 D C 1.572 177.824 176.300 -0.080 0.000 0.974 35 D CA 0.902 54.873 54.000 -0.048 0.000 0.841 35 D CB -0.347 40.435 40.800 -0.030 0.000 0.953 35 D HN 0.475 nan 8.370 nan 0.000 0.478 36 F N 1.407 121.228 119.950 -0.215 0.000 2.102 36 F HA -0.132 4.394 4.527 -0.001 0.000 0.298 36 F C 2.103 177.749 175.800 -0.256 0.000 1.105 36 F CA 1.113 58.962 58.000 -0.250 0.000 1.239 36 F CB -0.296 38.548 39.000 -0.260 0.000 0.991 36 F HN -0.131 nan 8.300 nan 0.000 0.474 37 L N 0.027 121.077 121.223 -0.290 0.000 2.042 37 L HA -0.232 4.106 4.340 -0.003 0.000 0.210 37 L C 2.697 179.431 176.870 -0.227 0.000 1.076 37 L CA 1.521 56.177 54.840 -0.307 0.000 0.749 37 L CB -0.670 41.220 42.059 -0.282 0.000 0.893 37 L HN 0.065 nan 8.230 nan 0.000 0.432 38 R N -0.435 119.961 120.500 -0.173 0.000 2.083 38 R HA -0.203 4.135 4.340 -0.003 0.000 0.237 38 R C 2.232 178.454 176.300 -0.130 0.000 1.137 38 R CA 1.388 57.414 56.100 -0.122 0.000 0.951 38 R CB -0.593 29.653 30.300 -0.091 0.000 0.851 38 R HN 0.193 nan 8.270 nan 0.000 0.434 39 L N 0.817 121.931 121.223 -0.182 0.000 2.056 39 L HA -0.133 4.206 4.340 -0.003 0.000 0.207 39 L C 2.117 178.969 176.870 -0.031 0.000 1.078 39 L CA 1.366 56.120 54.840 -0.143 0.000 0.749 39 L CB -0.451 41.421 42.059 -0.313 0.000 0.901 39 L HN 0.103 nan 8.230 nan 0.000 0.433 40 L N -0.705 120.415 121.223 -0.171 0.000 2.083 40 L HA -0.168 4.170 4.340 -0.003 0.000 0.209 40 L C 2.748 179.561 176.870 -0.094 0.000 1.083 40 L CA 2.007 56.747 54.840 -0.166 0.000 0.752 40 L CB -0.834 40.992 42.059 -0.389 0.000 0.899 40 L HN 0.570 nan 8.230 nan 0.000 0.433 41 S N -1.495 114.148 115.700 -0.096 0.000 2.442 41 S HA -0.190 4.278 4.470 -0.003 0.000 0.236 41 S C 1.601 176.178 174.600 -0.039 0.000 1.007 41 S CA 1.314 59.481 58.200 -0.055 0.000 0.965 41 S CB -0.627 62.539 63.200 -0.057 0.000 0.773 41 S HN 0.678 nan 8.310 nan 0.000 0.504 42 E N 1.440 121.617 120.200 -0.038 0.000 2.474 42 E HA 0.071 4.419 4.350 -0.003 0.000 0.194 42 E C 0.949 177.530 176.600 -0.033 0.000 1.041 42 E CA 0.602 56.985 56.400 -0.029 0.000 0.874 42 E CB 0.295 29.982 29.700 -0.023 0.000 0.914 42 E HN 0.812 nan 8.360 nan 0.000 0.498 43 T N -2.728 111.802 114.554 -0.040 0.000 2.880 43 T HA 0.141 4.489 4.350 -0.003 0.000 0.279 43 T C 1.258 175.917 174.700 -0.070 0.000 0.990 43 T CA -0.689 61.373 62.100 -0.063 0.000 0.938 43 T CB 1.494 70.301 68.868 -0.102 0.000 1.206 43 T HN -0.143 nan 8.240 nan 0.000 0.573 44 V N 0.301 120.135 119.914 -0.135 0.000 2.688 44 V HA -0.085 4.034 4.120 -0.003 0.000 0.256 44 V C 1.759 177.700 176.094 -0.255 0.000 1.084 44 V CA 1.483 63.657 62.300 -0.209 0.000 1.103 44 V CB -1.376 30.273 31.823 -0.290 0.000 0.688 44 V HN 0.862 nan 8.190 nan 0.000 0.480 45 Y N 0.891 121.124 120.300 -0.111 0.000 2.509 45 Y HA 0.110 4.661 4.550 0.002 0.000 0.293 45 Y C 2.441 178.295 175.900 -0.076 0.000 1.133 45 Y CA 0.955 58.998 58.100 -0.094 0.000 1.283 45 Y CB -0.888 37.492 38.460 -0.135 0.000 1.001 45 Y HN 0.327 nan 8.280 nan 0.000 0.555 46 G N -0.079 108.743 108.800 0.037 0.000 2.442 46 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.219 46 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.219 46 G C 2.054 176.956 174.900 0.004 0.000 1.141 46 G CA 0.956 46.060 45.100 0.008 0.000 0.763 46 G HN 0.507 nan 8.290 nan 0.000 0.554 47 G N 0.198 108.991 108.800 -0.012 0.000 2.450 47 G HA2 -0.103 3.855 3.960 -0.003 0.000 0.220 47 G HA3 -0.103 3.855 3.960 -0.003 0.000 0.220 47 G C 1.491 176.396 174.900 0.007 0.000 1.130 47 G CA 0.900 45.994 45.100 -0.011 0.000 0.760 47 G HN 0.437 nan 8.290 nan 0.000 0.557 48 E N -0.727 119.488 120.200 0.025 0.000 2.481 48 E HA 0.148 4.496 4.350 -0.003 0.000 0.198 48 E C -0.059 176.574 176.600 0.054 0.000 1.027 48 E CA -0.469 55.957 56.400 0.043 0.000 0.900 48 E CB 0.554 30.291 29.700 0.061 0.000 0.993 48 E HN 0.286 nan 8.360 nan 0.000 0.482 49 L N 1.177 122.429 121.223 0.047 0.000 2.312 49 L HA 0.272 4.611 4.340 -0.003 0.000 0.287 49 L C 0.664 177.552 176.870 0.030 0.000 1.091 49 L CA -0.019 54.846 54.840 0.041 0.000 0.846 49 L CB 0.817 42.890 42.059 0.023 0.000 1.219 49 L HN -0.094 nan 8.230 nan 0.000 0.439 50 A N 3.503 126.345 122.820 0.037 0.000 2.390 50 A HA 0.709 5.027 4.320 -0.003 0.000 0.232 50 A C 0.761 178.368 177.584 0.038 0.000 1.233 50 A CA 0.484 52.541 52.037 0.033 0.000 0.907 50 A CB -0.098 18.922 19.000 0.033 0.000 0.967 50 A HN 0.729 nan 8.150 nan 0.000 0.512 51 G N -1.957 106.873 108.800 0.049 0.000 2.949 51 G HA2 0.472 4.431 3.960 -0.003 0.000 0.285 51 G HA3 0.472 4.431 3.960 -0.003 0.000 0.285 51 G C -0.361 174.589 174.900 0.084 0.000 1.395 51 G CA -0.147 44.990 45.100 0.062 0.000 0.901 51 G HN -0.093 nan 8.290 nan 0.000 0.519 52 Q N -0.668 119.201 119.800 0.115 0.000 2.219 52 Q HA 0.231 4.570 4.340 -0.003 0.000 0.209 52 Q C 0.924 177.129 176.000 0.341 0.000 0.854 52 Q CA 0.049 55.959 55.803 0.178 0.000 0.960 52 Q CB 1.408 30.233 28.738 0.144 0.000 1.116 52 Q HN 0.549 nan 8.270 nan 0.000 0.500 53 G N 0.229 109.182 108.800 0.256 0.000 2.552 53 G HA2 0.351 4.309 3.960 -0.003 0.000 0.324 53 G HA3 0.351 4.309 3.960 -0.003 0.000 0.324 53 G C 0.483 175.466 174.900 0.139 0.000 1.217 53 G CA -0.558 44.664 45.100 0.205 0.000 0.989 53 G HN 0.138 nan 8.290 nan 0.000 0.490 54 L N 0.757 121.779 121.223 -0.336 0.000 2.046 54 L HA 0.072 4.410 4.340 -0.003 0.000 0.208 54 L C -0.149 176.628 176.870 -0.154 0.000 1.077 54 L CA 2.008 56.576 54.840 -0.454 0.000 0.747 54 L CB -0.796 40.536 42.059 -1.212 0.000 0.896 54 L HN 0.348 nan 8.230 nan 0.000 0.432 55 P HA -0.106 nan 4.420 nan 0.000 0.220 55 P C 0.884 178.193 177.300 0.015 0.000 1.148 55 P CA 1.374 64.446 63.100 -0.046 0.000 0.803 55 P CB -0.083 31.599 31.700 -0.030 0.000 0.782 56 D N -1.019 119.408 120.400 0.045 0.000 2.178 56 D HA -0.080 4.558 4.640 -0.003 0.000 0.202 56 D C 1.942 178.291 176.300 0.082 0.000 0.974 56 D CA 0.988 55.031 54.000 0.071 0.000 0.841 56 D CB -0.377 40.476 40.800 0.089 0.000 0.953 56 D HN 0.048 nan 8.370 nan 0.000 0.478 57 V N 1.830 121.811 119.914 0.111 0.000 2.323 57 V HA -0.180 3.939 4.120 -0.003 0.000 0.244 57 V C 1.999 178.133 176.094 0.066 0.000 1.041 57 V CA 1.549 63.920 62.300 0.120 0.000 1.025 57 V CB -0.331 31.631 31.823 0.232 0.000 0.656 57 V HN 0.040 nan 8.190 nan 0.000 0.451 58 D N -0.006 120.417 120.400 0.039 0.000 2.123 58 D HA -0.208 4.431 4.640 -0.003 0.000 0.196 58 D C 2.307 178.629 176.300 0.037 0.000 0.992 58 D CA 1.462 55.471 54.000 0.014 0.000 0.833 58 D CB -0.223 40.564 40.800 -0.021 0.000 0.954 58 D HN 0.219 nan 8.370 nan 0.000 0.455 59 R N 1.256 121.787 120.500 0.051 0.000 2.075 59 R HA -0.018 4.320 4.340 -0.003 0.000 0.232 59 R C 2.010 178.362 176.300 0.087 0.000 1.126 59 R CA 1.672 57.814 56.100 0.071 0.000 0.963 59 R CB -0.764 29.576 30.300 0.068 0.000 0.858 59 R HN 0.077 nan 8.270 nan 0.000 0.435 60 A N -0.261 122.613 122.820 0.090 0.000 1.902 60 A HA -0.092 4.226 4.320 -0.003 0.000 0.217 60 A C 2.312 180.021 177.584 0.208 0.000 1.181 60 A CA 1.759 53.873 52.037 0.128 0.000 0.623 60 A CB -0.698 18.372 19.000 0.116 0.000 0.818 60 A HN 0.186 nan 8.150 nan 0.000 0.443 61 V N 0.084 120.083 119.914 0.142 0.000 2.261 61 V HA -0.255 3.863 4.120 -0.003 0.000 0.246 61 V C 2.581 178.794 176.094 0.199 0.000 1.047 61 V CA 1.948 64.352 62.300 0.173 0.000 1.015 61 V CB -0.808 31.003 31.823 -0.018 0.000 0.642 61 V HN 0.571 nan 8.190 nan 0.000 0.446 62 L N -0.510 120.787 121.223 0.123 0.000 1.989 62 L HA -0.219 4.119 4.340 -0.003 0.000 0.211 62 L C 2.830 179.774 176.870 0.123 0.000 1.071 62 L CA 1.888 56.797 54.840 0.116 0.000 0.749 62 L CB -0.617 41.504 42.059 0.104 0.000 0.890 62 L HN 0.244 nan 8.230 nan 0.000 0.431 63 R N -0.944 119.625 120.500 0.115 0.000 2.092 63 R HA -0.106 4.232 4.340 -0.003 0.000 0.231 63 R C 2.240 178.585 176.300 0.075 0.000 1.119 63 R CA 1.711 57.866 56.100 0.092 0.000 0.970 63 R CB -0.552 29.795 30.300 0.078 0.000 0.864 63 R HN 0.371 nan 8.270 nan 0.000 0.440 64 T N 1.195 115.803 114.554 0.090 0.000 2.777 64 T HA -0.115 4.233 4.350 -0.003 0.000 0.266 64 T C 1.766 176.469 174.700 0.004 0.000 1.040 64 T CA 1.048 63.149 62.100 0.001 0.000 1.141 64 T CB -0.035 68.764 68.868 -0.115 0.000 0.868 64 T HN 0.313 nan 8.240 nan 0.000 0.444 65 Q N 0.501 120.352 119.800 0.085 0.000 2.297 65 Q HA 0.115 4.454 4.340 -0.003 0.000 0.204 65 Q C 2.631 178.680 176.000 0.080 0.000 0.962 65 Q CA 0.951 56.803 55.803 0.081 0.000 0.879 65 Q CB -0.223 28.584 28.738 0.115 0.000 0.947 65 Q HN 0.536 nan 8.270 nan 0.000 0.462 66 A N 2.419 125.290 122.820 0.085 0.000 1.969 66 A HA -0.180 4.138 4.320 -0.003 0.000 0.218 66 A C 2.048 179.674 177.584 0.069 0.000 1.169 66 A CA 1.406 53.496 52.037 0.088 0.000 0.635 66 A CB -0.209 18.846 19.000 0.091 0.000 0.810 66 A HN 0.330 nan 8.150 nan 0.000 0.445 67 K N -0.776 119.653 120.400 0.049 0.000 2.356 67 K HA 0.251 4.570 4.320 -0.003 0.000 0.195 67 K C 1.124 177.745 176.600 0.035 0.000 1.037 67 K CA 0.585 56.892 56.287 0.034 0.000 1.014 67 K CB -0.083 32.425 32.500 0.014 0.000 0.815 67 K HN 0.439 nan 8.250 nan 0.000 0.507 68 L N 0.853 122.104 121.223 0.047 0.000 2.664 68 L HA 0.146 4.484 4.340 -0.003 0.000 0.233 68 L C 1.290 178.272 176.870 0.188 0.000 1.113 68 L CA -0.130 54.763 54.840 0.088 0.000 0.896 68 L CB 0.832 42.929 42.059 0.063 0.000 1.163 68 L HN -0.068 nan 8.230 nan 0.000 0.497 69 V N -1.623 118.377 119.914 0.142 0.000 3.177 69 V HA 0.190 4.309 4.120 -0.003 0.000 0.219 69 V C 2.219 178.390 176.094 0.127 0.000 1.344 69 V CA 0.847 63.246 62.300 0.164 0.000 1.324 69 V CB -0.278 31.596 31.823 0.086 0.000 1.165 69 V HN 0.228 nan 8.190 nan 0.000 0.510 70 G N 1.771 110.636 108.800 0.109 0.000 2.479 70 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.220 70 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.220 70 G C 1.077 176.035 174.900 0.097 0.000 1.115 70 G CA 1.349 46.514 45.100 0.110 0.000 0.757 70 G HN 0.696 nan 8.290 nan 0.000 0.560 71 D N 0.590 121.040 120.400 0.084 0.000 2.348 71 D HA -0.011 4.627 4.640 -0.003 0.000 0.211 71 D C 2.359 178.698 176.300 0.066 0.000 0.998 71 D CA -0.139 53.902 54.000 0.068 0.000 0.873 71 D CB -0.506 40.328 40.800 0.055 0.000 0.925 71 D HN 0.355 nan 8.370 nan 0.000 0.524 72 L N 0.402 121.670 121.223 0.075 0.000 2.064 72 L HA -0.169 4.170 4.340 -0.003 0.000 0.216 72 L C -0.305 176.601 176.870 0.061 0.000 1.077 72 L CA 1.823 56.703 54.840 0.066 0.000 0.766 72 L CB -1.802 40.309 42.059 0.086 0.000 0.890 72 L HN 0.125 nan 8.230 nan 0.000 0.435 73 P HA -0.140 nan 4.420 nan 0.000 0.220 73 P C 1.207 178.532 177.300 0.041 0.000 1.148 73 P CA 1.280 64.410 63.100 0.050 0.000 0.803 73 P CB -0.031 31.702 31.700 0.054 0.000 0.782 74 R N -1.036 119.492 120.500 0.046 0.000 2.275 74 R HA 0.155 4.493 4.340 -0.003 0.000 0.199 74 R C 1.797 178.128 176.300 0.051 0.000 0.989 74 R CA 0.520 56.644 56.100 0.039 0.000 1.016 74 R CB -0.398 29.925 30.300 0.038 0.000 0.918 74 R HN 0.296 nan 8.270 nan 0.000 0.473 75 L N 0.372 121.640 121.223 0.075 0.000 2.375 75 L HA 0.096 4.435 4.340 -0.003 0.000 0.215 75 L C 0.961 177.942 176.870 0.185 0.000 1.108 75 L CA 0.200 55.123 54.840 0.137 0.000 0.830 75 L CB 0.023 42.168 42.059 0.144 0.000 0.959 75 L HN -0.041 nan 8.230 nan 0.000 0.457 76 V N -5.252 114.729 119.914 0.112 0.000 3.119 76 V HA 0.754 4.873 4.120 -0.003 0.000 0.311 76 V C -0.421 175.673 176.094 -0.001 0.000 1.259 76 V CA -0.491 61.858 62.300 0.083 0.000 1.067 76 V CB 1.913 33.797 31.823 0.102 0.000 1.123 76 V HN -0.064 nan 8.190 nan 0.000 0.463 77 T N -1.896 112.634 114.554 -0.040 0.000 2.618 77 T HA 0.742 5.090 4.350 -0.003 0.000 0.286 77 T C 0.381 175.022 174.700 -0.098 0.000 1.027 77 T CA 0.987 63.051 62.100 -0.060 0.000 1.063 77 T CB 0.868 69.701 68.868 -0.058 0.000 1.440 77 T HN 2.833 nan 8.240 nan 0.000 0.505 78 G N 0.966 109.714 108.800 -0.086 0.000 2.578 78 G HA2 -0.232 3.727 3.960 -0.003 0.000 0.275 78 G HA3 -0.232 3.727 3.960 -0.003 0.000 0.275 78 G C 0.571 175.389 174.900 -0.137 0.000 1.271 78 G CA 0.971 46.010 45.100 -0.102 0.000 0.941 78 G HN 0.859 nan 8.290 nan 0.000 0.564 79 E N 0.103 120.201 120.200 -0.170 0.000 2.153 79 E HA -0.006 4.342 4.350 -0.003 0.000 0.194 79 E C 2.979 179.348 176.600 -0.386 0.000 0.988 79 E CA 1.333 57.627 56.400 -0.177 0.000 0.811 79 E CB -0.247 29.416 29.700 -0.062 0.000 0.746 79 E HN 0.742 nan 8.360 nan 0.000 0.466 80 A N 1.914 124.286 122.820 -0.747 0.000 1.902 80 A HA -0.206 4.113 4.320 -0.003 0.000 0.217 80 A C 2.158 179.577 177.584 -0.274 0.000 1.181 80 A CA 1.299 52.799 52.037 -0.895 0.000 0.623 80 A CB -0.406 18.135 19.000 -0.765 0.000 0.818 80 A HN 0.039 nan 8.150 nan 0.000 0.443 81 R N -0.234 120.162 120.500 -0.174 0.000 2.092 81 R HA -0.122 4.216 4.340 -0.003 0.000 0.231 81 R C 1.730 178.015 176.300 -0.025 0.000 1.119 81 R CA 1.586 57.650 56.100 -0.061 0.000 0.970 81 R CB -0.397 29.876 30.300 -0.046 0.000 0.864 81 R HN 0.524 nan 8.270 nan 0.000 0.440 82 E N 0.615 120.791 120.200 -0.040 0.000 2.058 82 E HA -0.173 4.175 4.350 -0.003 0.000 0.194 82 E C 1.909 178.538 176.600 0.048 0.000 0.997 82 E CA 1.427 57.828 56.400 0.001 0.000 0.801 82 E CB -0.339 29.359 29.700 -0.003 0.000 0.746 82 E HN 0.418 nan 8.360 nan 0.000 0.450 83 A N 1.053 123.920 122.820 0.077 0.000 1.845 83 A HA -0.147 4.172 4.320 -0.003 0.000 0.215 83 A C 2.536 180.199 177.584 0.130 0.000 1.195 83 A CA 1.789 53.915 52.037 0.148 0.000 0.616 83 A CB -0.954 18.214 19.000 0.280 0.000 0.832 83 A HN 0.188 nan 8.150 nan 0.000 0.443 84 V N -0.084 119.898 119.914 0.113 0.000 2.427 84 V HA -0.191 3.927 4.120 -0.003 0.000 0.248 84 V C 2.590 178.746 176.094 0.103 0.000 1.051 84 V CA 2.527 64.892 62.300 0.109 0.000 1.048 84 V CB -0.660 31.223 31.823 0.100 0.000 0.666 84 V HN 0.684 nan 8.190 nan 0.000 0.456 85 R N -0.545 120.005 120.500 0.083 0.000 2.081 85 R HA -0.163 4.176 4.340 -0.003 0.000 0.235 85 R C 2.190 178.562 176.300 0.120 0.000 1.131 85 R CA 2.176 58.327 56.100 0.084 0.000 0.960 85 R CB -0.473 29.856 30.300 0.049 0.000 0.856 85 R HN 0.513 nan 8.270 nan 0.000 0.436 86 L N 0.955 122.252 121.223 0.123 0.000 2.042 86 L HA -0.134 4.204 4.340 -0.003 0.000 0.210 86 L C 1.882 178.901 176.870 0.248 0.000 1.076 86 L CA 1.717 56.661 54.840 0.172 0.000 0.749 86 L CB -0.499 41.632 42.059 0.120 0.000 0.893 86 L HN 0.275 nan 8.230 nan 0.000 0.432 87 L N -1.273 120.066 121.223 0.193 0.000 2.046 87 L HA -0.240 4.098 4.340 -0.003 0.000 0.208 87 L C 2.531 179.495 176.870 0.157 0.000 1.077 87 L CA 1.350 56.301 54.840 0.184 0.000 0.747 87 L CB -0.553 41.580 42.059 0.123 0.000 0.896 87 L HN 0.325 nan 8.230 nan 0.000 0.432 88 L N -0.792 120.519 121.223 0.147 0.000 2.109 88 L HA -0.173 4.165 4.340 -0.003 0.000 0.207 88 L C 2.458 179.424 176.870 0.161 0.000 1.086 88 L CA 0.828 55.752 54.840 0.142 0.000 0.760 88 L CB -0.336 41.807 42.059 0.141 0.000 0.910 88 L HN 0.276 nan 8.230 nan 0.000 0.437 89 L N -0.513 120.823 121.223 0.188 0.000 2.141 89 L HA -0.160 4.178 4.340 -0.003 0.000 0.209 89 L C 2.856 179.688 176.870 -0.064 0.000 1.094 89 L CA 0.737 55.699 54.840 0.204 0.000 0.763 89 L CB -0.539 41.714 42.059 0.323 0.000 0.908 89 L HN 0.287 nan 8.230 nan 0.000 0.437 90 R N 0.702 121.147 120.500 -0.093 0.000 2.096 90 R HA -0.141 4.197 4.340 -0.003 0.000 0.235 90 R C 1.748 177.922 176.300 -0.209 0.000 1.127 90 R CA 1.354 57.183 56.100 -0.452 0.000 0.968 90 R CB -0.307 29.990 30.300 -0.006 0.000 0.861 90 R HN 0.407 nan 8.270 nan 0.000 0.440 91 N N 1.130 119.815 118.700 -0.026 0.000 2.270 91 N HA -0.108 4.631 4.740 -0.003 0.000 0.181 91 N C 1.118 176.652 175.510 0.040 0.000 1.016 91 N CA 1.051 54.114 53.050 0.022 0.000 0.870 91 N CB -0.297 38.219 38.487 0.049 0.000 0.979 91 N HN 0.225 nan 8.380 nan 0.000 0.431 92 D N 0.559 121.017 120.400 0.098 0.000 2.178 92 D HA -0.101 4.537 4.640 -0.003 0.000 0.202 92 D C 2.010 178.362 176.300 0.087 0.000 0.974 92 D CA 0.309 54.442 54.000 0.222 0.000 0.841 92 D CB -0.147 40.881 40.800 0.380 0.000 0.953 92 D HN 0.160 nan 8.370 nan 0.000 0.478 93 L N 0.419 121.601 121.223 -0.068 0.000 2.017 93 L HA -0.163 4.175 4.340 -0.003 0.000 0.208 93 L C 2.230 179.059 176.870 -0.067 0.000 1.073 93 L CA 1.908 56.671 54.840 -0.127 0.000 0.745 93 L CB -0.840 40.965 42.059 -0.423 0.000 0.894 93 L HN 0.023 nan 8.230 nan 0.000 0.432 94 H N -0.296 118.686 119.070 -0.146 0.000 2.321 94 H HA -0.138 4.416 4.556 -0.003 0.000 0.300 94 H C 2.047 177.264 175.328 -0.185 0.000 1.087 94 H CA 2.196 58.173 56.048 -0.119 0.000 1.319 94 H CB -0.033 29.672 29.762 -0.095 0.000 1.379 94 H HN 0.397 nan 8.280 nan 0.000 0.501 95 N N 0.196 118.740 118.700 -0.260 0.000 2.120 95 N HA -0.143 4.595 4.740 -0.003 0.000 0.188 95 N C 2.019 177.182 175.510 -0.578 0.000 1.024 95 N CA 1.180 53.862 53.050 -0.613 0.000 0.852 95 N CB -0.578 37.220 38.487 -1.148 0.000 1.003 95 N HN 0.341 nan 8.380 nan 0.000 0.424 96 L N 1.679 122.714 121.223 -0.314 0.000 2.046 96 L HA -0.140 4.199 4.340 -0.003 0.000 0.208 96 L C 2.033 178.875 176.870 -0.046 0.000 1.077 96 L CA 1.648 56.486 54.840 -0.004 0.000 0.747 96 L CB -0.796 41.368 42.059 0.176 0.000 0.896 96 L HN 0.169 nan 8.230 nan 0.000 0.432 97 Q N -0.580 119.160 119.800 -0.100 0.000 2.084 97 Q HA -0.180 4.158 4.340 -0.003 0.000 0.202 97 Q C 2.252 178.170 176.000 -0.137 0.000 0.978 97 Q CA 1.704 57.452 55.803 -0.092 0.000 0.844 97 Q CB -0.430 28.247 28.738 -0.101 0.000 0.898 97 Q HN 0.694 nan 8.270 nan 0.000 0.426 98 A N 0.539 123.203 122.820 -0.258 0.000 1.933 98 A HA -0.164 4.154 4.320 -0.003 0.000 0.218 98 A C 2.007 179.526 177.584 -0.107 0.000 1.175 98 A CA 1.035 52.929 52.037 -0.238 0.000 0.628 98 A CB -0.444 18.341 19.000 -0.358 0.000 0.814 98 A HN 0.289 nan 8.150 nan 0.000 0.444 99 L N -0.481 120.701 121.223 -0.069 0.000 2.072 99 L HA -0.014 4.324 4.340 -0.003 0.000 0.205 99 L C 2.377 179.300 176.870 0.088 0.000 1.079 99 L CA 1.329 56.222 54.840 0.088 0.000 0.752 99 L CB -0.392 41.776 42.059 0.181 0.000 0.906 99 L HN 0.394 nan 8.230 nan 0.000 0.436 100 L N -1.115 120.135 121.223 0.044 0.000 2.042 100 L HA -0.253 4.086 4.340 -0.003 0.000 0.210 100 L C 2.736 179.617 176.870 0.019 0.000 1.076 100 L CA 1.379 56.239 54.840 0.033 0.000 0.749 100 L CB -0.443 41.635 42.059 0.031 0.000 0.893 100 L HN 0.225 nan 8.230 nan 0.000 0.432 101 R N -0.261 120.242 120.500 0.005 0.000 2.075 101 R HA -0.130 4.208 4.340 -0.003 0.000 0.232 101 R C 2.379 178.691 176.300 0.020 0.000 1.126 101 R CA 1.298 57.400 56.100 0.003 0.000 0.963 101 R CB -0.237 30.052 30.300 -0.019 0.000 0.858 101 R HN 0.359 nan 8.270 nan 0.000 0.435 102 A N 1.100 123.946 122.820 0.043 0.000 1.877 102 A HA -0.154 4.164 4.320 -0.003 0.000 0.216 102 A C 1.840 179.480 177.584 0.094 0.000 1.186 102 A CA 1.318 53.411 52.037 0.093 0.000 0.620 102 A CB -0.286 18.817 19.000 0.172 0.000 0.822 102 A HN 0.129 nan 8.150 nan 0.000 0.443 103 K N -0.129 120.299 120.400 0.047 0.000 2.097 103 K HA -0.051 4.267 4.320 -0.003 0.000 0.206 103 K C 2.190 178.771 176.600 -0.030 0.000 1.049 103 K CA 1.279 57.529 56.287 -0.062 0.000 0.933 103 K CB -0.695 31.729 32.500 -0.127 0.000 0.717 103 K HN 0.456 nan 8.250 nan 0.000 0.442 104 A N 1.187 124.003 122.820 -0.006 0.000 2.070 104 A HA -0.107 4.211 4.320 -0.003 0.000 0.220 104 A C 1.961 179.548 177.584 0.005 0.000 1.159 104 A CA 2.068 54.104 52.037 -0.002 0.000 0.656 104 A CB -0.534 18.469 19.000 0.005 0.000 0.800 104 A HN 0.473 nan 8.150 nan 0.000 0.453 105 T N -5.126 109.437 114.554 0.015 0.000 3.054 105 T HA 0.427 4.775 4.350 -0.003 0.000 0.255 105 T C 1.222 175.939 174.700 0.028 0.000 1.035 105 T CA 0.927 63.039 62.100 0.019 0.000 0.941 105 T CB 0.158 69.038 68.868 0.021 0.000 1.026 105 T HN 1.605 nan 8.240 nan 0.000 0.533 106 G N 2.589 111.409 108.800 0.032 0.000 2.198 106 G HA2 -0.246 3.713 3.960 -0.003 0.000 0.260 106 G HA3 -0.246 3.713 3.960 -0.003 0.000 0.260 106 G C 0.004 174.960 174.900 0.093 0.000 1.025 106 G CA -0.438 44.692 45.100 0.049 0.000 0.769 106 G HN 0.544 nan 8.290 nan 0.000 0.507 107 R N -0.114 120.456 120.500 0.117 0.000 2.490 107 R HA 0.446 4.784 4.340 -0.003 0.000 0.278 107 R C -2.218 174.211 176.300 0.215 0.000 1.069 107 R CA -2.498 53.674 56.100 0.121 0.000 1.080 107 R CB -0.171 30.175 30.300 0.076 0.000 1.030 107 R HN 0.134 nan 8.270 nan 0.000 0.491 108 P HA 0.001 nan 4.420 nan 0.000 0.269 108 P C 0.550 177.841 177.300 -0.016 0.000 1.209 108 P CA -0.164 63.004 63.100 0.113 0.000 0.776 108 P CB 0.291 32.021 31.700 0.050 0.000 0.876 109 F N 3.214 122.877 119.950 -0.478 0.000 2.161 109 F HA -0.220 4.305 4.527 -0.004 0.000 0.300 109 F C 2.006 177.630 175.800 -0.293 0.000 1.089 109 F CA 1.815 59.386 58.000 -0.715 0.000 1.282 109 F CB -0.465 37.959 39.000 -0.960 0.000 1.010 109 F HN 0.459 nan 8.300 nan 0.000 0.485 110 E N -0.199 119.895 120.200 -0.176 0.000 2.219 110 E HA -0.281 4.068 4.350 -0.003 0.000 0.198 110 E C 1.565 178.044 176.600 -0.202 0.000 0.998 110 E CA 1.847 58.141 56.400 -0.176 0.000 0.818 110 E CB -0.835 28.832 29.700 -0.055 0.000 0.741 110 E HN 0.622 nan 8.360 nan 0.000 0.477 111 E N 0.719 120.816 120.200 -0.172 0.000 2.481 111 E HA 0.058 4.406 4.350 -0.003 0.000 0.195 111 E C -0.197 176.299 176.600 -0.173 0.000 1.047 111 E CA -0.047 56.274 56.400 -0.131 0.000 0.867 111 E CB 0.723 30.381 29.700 -0.070 0.000 0.858 111 E HN 0.052 nan 8.360 nan 0.000 0.513 112 V N 2.693 122.430 119.914 -0.295 0.000 2.432 112 V HA 0.064 4.182 4.120 -0.003 0.000 0.271 112 V C 0.182 176.086 176.094 -0.317 0.000 1.046 112 V CA -0.269 61.846 62.300 -0.309 0.000 0.945 112 V CB 1.144 32.726 31.823 -0.402 0.000 0.992 112 V HN 0.245 nan 8.190 nan 0.000 0.471 113 L N 6.942 128.044 121.223 -0.202 0.000 2.360 113 L HA 0.419 4.757 4.340 -0.003 0.000 0.276 113 L C -0.781 175.979 176.870 -0.183 0.000 1.121 113 L CA -0.150 54.602 54.840 -0.146 0.000 0.845 113 L CB 0.699 42.731 42.059 -0.045 0.000 1.143 113 L HN 0.565 nan 8.230 nan 0.000 0.452 114 L N 6.655 127.765 121.223 -0.187 0.000 2.294 114 L HA 0.416 4.754 4.340 -0.003 0.000 0.283 114 L C -0.165 176.646 176.870 -0.098 0.000 1.015 114 L CA -0.506 54.200 54.840 -0.223 0.000 0.831 114 L CB 1.696 43.599 42.059 -0.260 0.000 1.217 114 L HN 0.598 nan 8.230 nan 0.000 0.420 115 L N 4.993 126.178 121.223 -0.063 0.000 2.439 115 L HA 0.363 4.701 4.340 -0.003 0.000 0.261 115 L C -1.791 175.093 176.870 0.024 0.000 1.153 115 L CA -1.832 53.003 54.840 -0.008 0.000 0.808 115 L CB 0.652 42.706 42.059 -0.008 0.000 1.126 115 L HN 0.359 nan 8.230 nan 0.000 0.460 116 P HA 0.064 nan 4.420 nan 0.000 0.266 116 P C -0.422 176.944 177.300 0.111 0.000 1.215 116 P CA 0.218 63.368 63.100 0.083 0.000 0.763 116 P CB 0.877 32.615 31.700 0.064 0.000 0.806 117 G N 1.957 110.859 108.800 0.169 0.000 3.183 117 G HA2 0.453 4.412 3.960 -0.003 0.000 0.247 117 G HA3 0.453 4.412 3.960 -0.003 0.000 0.247 117 G C 0.540 175.572 174.900 0.220 0.000 1.211 117 G CA -0.125 45.104 45.100 0.214 0.000 0.835 117 G HN 0.380 nan 8.290 nan 0.000 0.604 118 T N -1.411 113.297 114.554 0.257 0.000 3.086 118 T HA 0.396 4.744 4.350 -0.003 0.000 0.250 118 T C 0.698 175.502 174.700 0.173 0.000 1.074 118 T CA 0.028 62.248 62.100 0.201 0.000 0.988 118 T CB -0.293 68.691 68.868 0.193 0.000 0.988 118 T HN 0.156 nan 8.240 nan 0.000 0.530 119 L N 1.429 122.768 121.223 0.194 0.000 2.331 119 L HA 0.578 4.916 4.340 -0.003 0.000 0.275 119 L C 0.411 177.338 176.870 0.095 0.000 1.022 119 L CA -1.413 53.445 54.840 0.031 0.000 0.812 119 L CB 1.661 43.512 42.059 -0.347 0.000 1.257 119 L HN -0.029 nan 8.230 nan 0.000 0.435 120 R N 0.978 121.491 120.500 0.022 0.000 2.641 120 R HA 0.014 4.353 4.340 -0.003 0.000 0.269 120 R C 1.053 177.442 176.300 0.149 0.000 1.074 120 R CA -0.396 55.755 56.100 0.084 0.000 1.133 120 R CB 0.784 31.108 30.300 0.041 0.000 1.029 120 R HN 0.625 nan 8.270 nan 0.000 0.488 121 E N 1.781 122.121 120.200 0.234 0.000 2.160 121 E HA -0.269 4.079 4.350 -0.003 0.000 0.195 121 E C 1.336 178.090 176.600 0.256 0.000 0.991 121 E CA 1.518 58.127 56.400 0.347 0.000 0.810 121 E CB 0.263 30.129 29.700 0.277 0.000 0.742 121 E HN 0.516 nan 8.360 nan 0.000 0.466 122 E N 0.279 120.550 120.200 0.118 0.000 2.160 122 E HA -0.138 4.211 4.350 -0.003 0.000 0.195 122 E C 1.964 178.561 176.600 -0.006 0.000 0.991 122 E CA 1.124 57.548 56.400 0.041 0.000 0.810 122 E CB -0.200 29.510 29.700 0.016 0.000 0.742 122 E HN 0.133 nan 8.360 nan 0.000 0.466 123 V N -0.567 119.311 119.914 -0.059 0.000 2.358 123 V HA -0.206 3.912 4.120 -0.003 0.000 0.246 123 V C 1.910 177.915 176.094 -0.148 0.000 1.047 123 V CA 1.918 64.111 62.300 -0.178 0.000 1.035 123 V CB -0.715 30.897 31.823 -0.350 0.000 0.658 123 V HN 0.409 nan 8.190 nan 0.000 0.452 124 W N 0.057 121.398 121.300 0.068 0.000 2.363 124 W HA -0.128 4.530 4.660 -0.004 0.000 0.296 124 W C 2.770 179.334 176.519 0.074 0.000 1.212 124 W CA 1.330 58.759 57.345 0.140 0.000 1.260 124 W CB -0.238 29.376 29.460 0.256 0.000 1.131 124 W HN 0.044 nan 8.180 nan 0.000 0.530 125 R N 0.651 121.191 120.500 0.067 0.000 2.081 125 R HA -0.192 4.146 4.340 -0.003 0.000 0.235 125 R C 2.106 178.301 176.300 -0.174 0.000 1.131 125 R CA 1.753 57.563 56.100 -0.482 0.000 0.960 125 R CB -0.378 29.643 30.300 -0.466 0.000 0.856 125 R HN 0.278 nan 8.270 nan 0.000 0.436 126 Q N -0.645 119.116 119.800 -0.065 0.000 2.124 126 Q HA -0.122 4.216 4.340 -0.003 0.000 0.202 126 Q C 2.066 178.074 176.000 0.015 0.000 0.977 126 Q CA 1.491 57.274 55.803 -0.032 0.000 0.850 126 Q CB -0.042 28.671 28.738 -0.042 0.000 0.901 126 Q HN 0.406 nan 8.270 nan 0.000 0.429 127 A N 0.162 123.018 122.820 0.061 0.000 1.930 127 A HA -0.210 4.108 4.320 -0.003 0.000 0.217 127 A C 1.862 179.533 177.584 0.145 0.000 1.175 127 A CA 1.196 53.296 52.037 0.104 0.000 0.627 127 A CB -0.790 18.314 19.000 0.173 0.000 0.815 127 A HN 0.527 nan 8.150 nan 0.000 0.443 128 Y N 0.337 120.679 120.300 0.069 0.000 2.242 128 Y HA -0.149 4.399 4.550 -0.002 0.000 0.291 128 Y C 2.245 178.148 175.900 0.006 0.000 1.137 128 Y CA 2.054 60.199 58.100 0.074 0.000 1.181 128 Y CB -0.087 38.429 38.460 0.093 0.000 0.989 128 Y HN 0.471 nan 8.280 nan 0.000 0.527 129 E N 0.822 121.091 120.200 0.115 0.000 2.268 129 E HA -0.002 4.347 4.350 -0.003 0.000 0.195 129 E C 0.737 177.320 176.600 -0.030 0.000 0.995 129 E CA 0.319 56.742 56.400 0.038 0.000 0.836 129 E CB -0.198 29.519 29.700 0.028 0.000 0.763 129 E HN 0.458 nan 8.360 nan 0.000 0.491 130 A N 1.662 124.466 122.820 -0.027 0.000 2.520 130 A HA -0.089 4.229 4.320 -0.003 0.000 0.235 130 A C 1.269 178.820 177.584 -0.054 0.000 1.065 130 A CA 0.010 52.030 52.037 -0.030 0.000 0.764 130 A CB 0.398 19.391 19.000 -0.012 0.000 1.002 130 A HN 0.362 nan 8.150 nan 0.000 0.502 131 Q N 0.948 120.725 119.800 -0.038 0.000 2.224 131 Q HA -0.091 4.248 4.340 -0.003 0.000 0.203 131 Q C -0.356 175.620 176.000 -0.040 0.000 0.970 131 Q CA 1.776 57.554 55.803 -0.040 0.000 0.865 131 Q CB -0.436 28.287 28.738 -0.024 0.000 0.922 131 Q HN 0.902 nan 8.270 nan 0.000 0.445 132 D N -2.665 117.718 120.400 -0.028 0.000 2.665 132 D HA 0.290 4.928 4.640 -0.003 0.000 0.287 132 D C -2.553 173.744 176.300 -0.005 0.000 1.266 132 D CA -1.871 52.118 54.000 -0.018 0.000 0.830 132 D CB 0.698 41.493 40.800 -0.009 0.000 1.356 132 D HN -0.323 nan 8.370 nan 0.000 0.437 133 P HA -0.116 nan 4.420 nan 0.000 0.216 133 P C 1.272 178.587 177.300 0.024 0.000 1.153 133 P CA 2.675 65.788 63.100 0.022 0.000 0.858 133 P CB -0.039 31.678 31.700 0.028 0.000 0.789 134 A N -0.276 122.555 122.820 0.017 0.000 1.902 134 A HA -0.107 4.212 4.320 -0.003 0.000 0.217 134 A C 2.486 180.077 177.584 0.012 0.000 1.181 134 A CA 2.103 54.150 52.037 0.016 0.000 0.623 134 A CB -1.865 17.143 19.000 0.013 0.000 0.818 134 A HN 0.292 nan 8.150 nan 0.000 0.443 135 G N -0.828 107.976 108.800 0.006 0.000 2.422 135 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.218 135 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.218 135 G C 1.607 176.510 174.900 0.004 0.000 1.140 135 G CA 1.073 46.174 45.100 0.001 0.000 0.775 135 G HN 0.486 nan 8.290 nan 0.000 0.545 136 M N 0.799 120.407 119.600 0.014 0.000 2.175 136 M HA 0.053 4.531 4.480 -0.003 0.000 0.264 136 M C 3.037 179.347 176.300 0.016 0.000 1.063 136 M CA 1.229 56.545 55.300 0.026 0.000 1.119 136 M CB -0.204 32.429 32.600 0.054 0.000 1.377 136 M HN 0.291 nan 8.290 nan 0.000 0.415 137 A N 0.037 122.869 122.820 0.021 0.000 1.902 137 A HA -0.251 4.067 4.320 -0.003 0.000 0.217 137 A C 2.044 179.632 177.584 0.007 0.000 1.181 137 A CA 1.926 53.976 52.037 0.021 0.000 0.623 137 A CB -0.848 18.169 19.000 0.029 0.000 0.818 137 A HN 0.589 nan 8.150 nan 0.000 0.443 138 Q N -0.327 119.475 119.800 0.003 0.000 2.124 138 Q HA -0.122 4.216 4.340 -0.003 0.000 0.202 138 Q C 1.932 177.923 176.000 -0.016 0.000 0.977 138 Q CA 1.825 57.625 55.803 -0.004 0.000 0.850 138 Q CB -0.194 28.542 28.738 -0.003 0.000 0.901 138 Q HN 0.417 nan 8.270 nan 0.000 0.429 139 V N 0.965 120.864 119.914 -0.025 0.000 2.295 139 V HA -0.273 3.845 4.120 -0.003 0.000 0.246 139 V C 2.269 178.316 176.094 -0.079 0.000 1.049 139 V CA 1.543 63.815 62.300 -0.048 0.000 1.024 139 V CB -0.449 31.344 31.823 -0.049 0.000 0.648 139 V HN 0.406 nan 8.190 nan 0.000 0.447 140 L N 0.028 121.200 121.223 -0.084 0.000 2.201 140 L HA -0.099 4.240 4.340 -0.003 0.000 0.212 140 L C 2.602 179.455 176.870 -0.028 0.000 1.105 140 L CA 1.193 55.967 54.840 -0.110 0.000 0.775 140 L CB -0.674 41.325 42.059 -0.099 0.000 0.913 140 L HN 0.357 nan 8.230 nan 0.000 0.440 141 A N -0.372 122.442 122.820 -0.011 0.000 1.969 141 A HA -0.097 4.221 4.320 -0.003 0.000 0.218 141 A C 2.329 179.910 177.584 -0.005 0.000 1.169 141 A CA 1.185 53.225 52.037 0.005 0.000 0.635 141 A CB -0.577 18.427 19.000 0.006 0.000 0.810 141 A HN 0.170 nan 8.150 nan 0.000 0.445 142 V N 1.233 121.134 119.914 -0.021 0.000 2.252 142 V HA -0.169 3.949 4.120 -0.003 0.000 0.249 142 V C -0.071 176.012 176.094 -0.019 0.000 1.056 142 V CA 2.379 64.666 62.300 -0.022 0.000 1.022 142 V CB -1.581 30.223 31.823 -0.032 0.000 0.641 142 V HN 0.581 nan 8.190 nan 0.000 0.445 143 P HA 0.142 nan 4.420 nan 0.000 0.253 143 P C 0.907 178.211 177.300 0.006 0.000 1.260 143 P CA 1.195 64.287 63.100 -0.014 0.000 0.800 143 P CB -0.070 31.611 31.700 -0.032 0.000 1.162 144 G N 0.715 109.521 108.800 0.009 0.000 2.295 144 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.287 144 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.287 144 G C -0.215 174.694 174.900 0.015 0.000 1.055 144 G CA 0.091 45.197 45.100 0.010 0.000 0.922 144 G HN 0.597 nan 8.290 nan 0.000 0.503 145 H N 0.479 119.529 119.070 -0.033 0.000 2.610 145 H HA 0.413 4.966 4.556 -0.003 0.000 0.336 145 H C -0.254 175.080 175.328 0.010 0.000 1.087 145 H CA -0.815 55.221 56.048 -0.019 0.000 1.405 145 H CB 1.304 31.030 29.762 -0.059 0.000 1.460 145 H HN 0.061 nan 8.280 nan 0.000 0.538 146 P HA -0.160 nan 4.420 nan 0.000 0.222 146 P C 1.285 178.691 177.300 0.177 0.000 1.147 146 P CA 0.994 64.104 63.100 0.018 0.000 0.790 146 P CB 0.385 32.061 31.700 -0.040 0.000 0.780 147 L N -0.636 120.838 121.223 0.418 0.000 2.201 147 L HA -0.109 4.229 4.340 -0.003 0.000 0.212 147 L C 2.708 179.677 176.870 0.166 0.000 1.105 147 L CA 1.139 56.155 54.840 0.294 0.000 0.775 147 L CB -0.952 41.271 42.059 0.274 0.000 0.913 147 L HN -0.037 nan 8.230 nan 0.000 0.440 148 A N 0.382 123.289 122.820 0.145 0.000 1.902 148 A HA -0.208 4.111 4.320 -0.003 0.000 0.217 148 A C 2.397 180.024 177.584 0.071 0.000 1.181 148 A CA 1.461 53.546 52.037 0.080 0.000 0.623 148 A CB -0.385 18.650 19.000 0.059 0.000 0.818 148 A HN 0.333 nan 8.150 nan 0.000 0.443 149 R N -0.641 119.903 120.500 0.073 0.000 2.075 149 R HA -0.020 4.318 4.340 -0.003 0.000 0.232 149 R C 2.513 178.853 176.300 0.065 0.000 1.126 149 R CA 1.156 57.290 56.100 0.057 0.000 0.963 149 R CB -0.471 29.857 30.300 0.046 0.000 0.858 149 R HN 0.499 nan 8.270 nan 0.000 0.435 150 A N 1.370 124.243 122.820 0.087 0.000 1.902 150 A HA -0.148 4.170 4.320 -0.003 0.000 0.217 150 A C 2.088 179.724 177.584 0.086 0.000 1.181 150 A CA 1.010 53.103 52.037 0.093 0.000 0.623 150 A CB -0.428 18.647 19.000 0.126 0.000 0.818 150 A HN 0.209 nan 8.150 nan 0.000 0.443 151 L N -0.086 121.190 121.223 0.088 0.000 2.046 151 L HA -0.105 4.234 4.340 -0.003 0.000 0.208 151 L C 2.428 179.334 176.870 0.061 0.000 1.077 151 L CA 1.813 56.699 54.840 0.077 0.000 0.747 151 L CB -0.605 41.500 42.059 0.076 0.000 0.896 151 L HN 0.334 nan 8.230 nan 0.000 0.432 152 R N -0.687 119.845 120.500 0.053 0.000 2.081 152 R HA -0.116 4.222 4.340 -0.003 0.000 0.235 152 R C 2.211 178.535 176.300 0.040 0.000 1.131 152 R CA 1.293 57.418 56.100 0.041 0.000 0.960 152 R CB -0.634 29.687 30.300 0.035 0.000 0.856 152 R HN 0.522 nan 8.270 nan 0.000 0.436 153 A N 1.075 123.921 122.820 0.044 0.000 1.877 153 A HA -0.142 4.176 4.320 -0.003 0.000 0.216 153 A C 2.392 180.002 177.584 0.044 0.000 1.186 153 A CA 1.810 53.871 52.037 0.040 0.000 0.620 153 A CB -0.779 18.245 19.000 0.040 0.000 0.822 153 A HN 0.262 nan 8.150 nan 0.000 0.443 154 V N -1.749 118.199 119.914 0.056 0.000 2.407 154 V HA -0.185 3.934 4.120 -0.003 0.000 0.248 154 V C 2.227 178.355 176.094 0.057 0.000 1.055 154 V CA 1.954 64.292 62.300 0.063 0.000 1.049 154 V CB -1.038 30.834 31.823 0.081 0.000 0.662 154 V HN 0.442 nan 8.190 nan 0.000 0.455 155 L N 0.941 122.195 121.223 0.051 0.000 2.275 155 L HA -0.041 4.297 4.340 -0.003 0.000 0.215 155 L C 2.824 179.716 176.870 0.037 0.000 1.119 155 L CA 1.756 56.623 54.840 0.044 0.000 0.790 155 L CB -0.492 41.591 42.059 0.039 0.000 0.919 155 L HN 0.489 nan 8.230 nan 0.000 0.443 156 R N -0.462 120.059 120.500 0.034 0.000 2.335 156 R HA 0.040 4.378 4.340 -0.003 0.000 0.223 156 R C 0.867 177.184 176.300 0.028 0.000 0.940 156 R CA 0.327 56.444 56.100 0.028 0.000 1.086 156 R CB -0.057 30.257 30.300 0.023 0.000 1.073 156 R HN 0.408 nan 8.270 nan 0.000 0.504 157 E N -0.089 120.132 120.200 0.036 0.000 2.414 157 E HA 0.084 4.432 4.350 -0.003 0.000 0.208 157 E C -0.150 176.479 176.600 0.048 0.000 0.820 157 E CA 0.264 56.686 56.400 0.037 0.000 1.143 157 E CB 1.336 31.057 29.700 0.035 0.000 1.150 157 E HN 0.157 nan 8.360 nan 0.000 0.540 158 T N -0.772 113.816 114.554 0.055 0.000 2.831 158 T HA 0.157 4.505 4.350 -0.003 0.000 0.333 158 T C -1.272 173.463 174.700 0.058 0.000 1.684 158 T CA -0.388 61.750 62.100 0.063 0.000 1.049 158 T CB 1.572 70.494 68.868 0.090 0.000 1.518 158 T HN -0.206 nan 8.240 nan 0.000 0.491 159 Q N 0.987 120.818 119.800 0.051 0.000 2.214 159 Q HA 0.300 4.639 4.340 -0.003 0.000 0.229 159 Q C -0.290 175.735 176.000 0.042 0.000 0.835 159 Q CA -0.040 55.788 55.803 0.042 0.000 0.953 159 Q CB 0.393 29.150 28.738 0.031 0.000 1.131 159 Q HN 0.731 nan 8.270 nan 0.000 0.501 160 D N 0.224 120.654 120.400 0.049 0.000 2.412 160 D HA -0.052 4.587 4.640 -0.003 0.000 0.257 160 D C 1.157 177.484 176.300 0.045 0.000 1.217 160 D CA -0.105 53.920 54.000 0.043 0.000 0.897 160 D CB 0.586 41.413 40.800 0.046 0.000 1.132 160 D HN -0.031 nan 8.370 nan 0.000 0.493 161 L N 5.625 126.868 121.223 0.033 0.000 1.976 161 L HA -0.274 4.064 4.340 -0.003 0.000 0.223 161 L C 2.048 178.940 176.870 0.037 0.000 1.081 161 L CA 2.784 57.643 54.840 0.032 0.000 0.784 161 L CB -1.165 40.906 42.059 0.021 0.000 0.896 161 L HN 0.616 nan 8.230 nan 0.000 0.438 162 A N -0.725 122.109 122.820 0.023 0.000 1.908 162 A HA -0.255 4.064 4.320 -0.003 0.000 0.218 162 A C 2.380 179.978 177.584 0.024 0.000 1.181 162 A CA 2.164 54.208 52.037 0.011 0.000 0.627 162 A CB -0.608 18.378 19.000 -0.024 0.000 0.818 162 A HN 0.618 nan 8.150 nan 0.000 0.445 163 R N -0.919 119.610 120.500 0.048 0.000 2.090 163 R HA -0.014 4.324 4.340 -0.003 0.000 0.228 163 R C 2.014 178.429 176.300 0.192 0.000 1.110 163 R CA 1.199 57.385 56.100 0.144 0.000 0.973 163 R CB -0.525 29.888 30.300 0.189 0.000 0.869 163 R HN 0.382 nan 8.270 nan 0.000 0.440 164 V N 1.661 121.651 119.914 0.127 0.000 2.295 164 V HA -0.248 3.870 4.120 -0.003 0.000 0.246 164 V C 2.071 178.240 176.094 0.124 0.000 1.049 164 V CA 1.864 64.235 62.300 0.118 0.000 1.024 164 V CB -0.443 31.430 31.823 0.083 0.000 0.648 164 V HN 0.349 nan 8.190 nan 0.000 0.447 165 E N 0.235 120.497 120.200 0.104 0.000 2.058 165 E HA -0.221 4.127 4.350 -0.003 0.000 0.194 165 E C 2.325 179.014 176.600 0.149 0.000 0.997 165 E CA 1.402 57.863 56.400 0.101 0.000 0.801 165 E CB -0.338 29.405 29.700 0.071 0.000 0.746 165 E HN 0.607 nan 8.360 nan 0.000 0.450 166 A N 1.116 124.045 122.820 0.181 0.000 1.898 166 A HA -0.122 4.197 4.320 -0.003 0.000 0.216 166 A C 2.183 179.955 177.584 0.313 0.000 1.181 166 A CA 0.938 53.135 52.037 0.266 0.000 0.620 166 A CB -0.510 18.667 19.000 0.296 0.000 0.819 166 A HN 0.119 nan 8.150 nan 0.000 0.442 167 L N -0.744 120.653 121.223 0.291 0.000 2.156 167 L HA -0.100 4.238 4.340 -0.003 0.000 0.208 167 L C 2.492 179.467 176.870 0.175 0.000 1.095 167 L CA 0.620 55.587 54.840 0.211 0.000 0.770 167 L CB -0.464 41.697 42.059 0.169 0.000 0.914 167 L HN 0.366 nan 8.230 nan 0.000 0.439 168 L N -0.286 121.039 121.223 0.170 0.000 2.046 168 L HA -0.200 4.139 4.340 -0.003 0.000 0.208 168 L C 2.878 179.869 176.870 0.201 0.000 1.077 168 L CA 1.266 56.201 54.840 0.158 0.000 0.747 168 L CB -0.609 41.527 42.059 0.128 0.000 0.896 168 L HN 0.243 nan 8.230 nan 0.000 0.432 169 A N -0.104 122.856 122.820 0.233 0.000 1.898 169 A HA -0.255 4.063 4.320 -0.003 0.000 0.216 169 A C 2.347 180.185 177.584 0.424 0.000 1.181 169 A CA 1.915 54.158 52.037 0.344 0.000 0.620 169 A CB -0.424 18.796 19.000 0.366 0.000 0.819 169 A HN 0.305 nan 8.150 nan 0.000 0.442 170 K N -0.401 120.176 120.400 0.296 0.000 2.032 170 K HA -0.166 4.152 4.320 -0.003 0.000 0.209 170 K C 2.302 179.014 176.600 0.187 0.000 1.048 170 K CA 1.613 58.032 56.287 0.220 0.000 0.927 170 K CB -0.176 32.401 32.500 0.129 0.000 0.712 170 K HN 0.433 nan 8.250 nan 0.000 0.441 171 R N -0.629 119.969 120.500 0.163 0.000 2.081 171 R HA -0.141 4.197 4.340 -0.003 0.000 0.235 171 R C 2.279 178.648 176.300 0.115 0.000 1.131 171 R CA 1.624 57.795 56.100 0.118 0.000 0.960 171 R CB -0.437 29.930 30.300 0.112 0.000 0.856 171 R HN 0.241 nan 8.270 nan 0.000 0.436 172 F N 0.733 120.688 119.950 0.008 0.000 2.046 172 F HA -0.205 4.320 4.527 -0.003 0.000 0.297 172 F C 1.728 177.429 175.800 -0.165 0.000 1.123 172 F CA 1.498 59.431 58.000 -0.113 0.000 1.199 172 F CB -0.415 38.445 39.000 -0.234 0.000 0.972 172 F HN -0.148 nan 8.300 nan 0.000 0.474 173 F N 1.096 121.045 119.950 -0.001 0.000 2.269 173 F HA -0.117 4.408 4.527 -0.002 0.000 0.301 173 F C 2.362 178.068 175.800 -0.158 0.000 1.082 173 F CA 1.587 59.509 58.000 -0.130 0.000 1.360 173 F CB -0.809 38.195 39.000 0.007 0.000 1.041 173 F HN 0.113 nan 8.300 nan 0.000 0.512 174 E N -0.170 120.057 120.200 0.044 0.000 2.152 174 E HA -0.171 4.178 4.350 -0.003 0.000 0.192 174 E C 1.558 178.118 176.600 -0.066 0.000 0.983 174 E CA 1.193 57.590 56.400 -0.005 0.000 0.818 174 E CB -0.152 29.552 29.700 0.006 0.000 0.758 174 E HN 0.374 nan 8.360 nan 0.000 0.467 175 D N 0.323 120.644 120.400 -0.131 0.000 2.183 175 D HA -0.085 4.554 4.640 -0.003 0.000 0.203 175 D C 2.068 178.238 176.300 -0.217 0.000 0.969 175 D CA 0.529 54.433 54.000 -0.159 0.000 0.842 175 D CB 0.015 40.712 40.800 -0.173 0.000 0.957 175 D HN 0.015 nan 8.370 nan 0.000 0.484 176 V N 1.713 121.425 119.914 -0.338 0.000 2.295 176 V HA -0.236 3.882 4.120 -0.003 0.000 0.246 176 V C 2.609 178.634 176.094 -0.114 0.000 1.049 176 V CA 1.836 63.957 62.300 -0.299 0.000 1.024 176 V CB -0.794 30.812 31.823 -0.361 0.000 0.648 176 V HN 0.174 nan 8.190 nan 0.000 0.447 177 A N -0.384 122.396 122.820 -0.066 0.000 1.940 177 A HA -0.155 4.163 4.320 -0.003 0.000 0.219 177 A C 1.495 179.059 177.584 -0.033 0.000 1.176 177 A CA 1.333 53.353 52.037 -0.029 0.000 0.631 177 A CB -0.243 18.746 19.000 -0.020 0.000 0.814 177 A HN 0.598 nan 8.150 nan 0.000 0.446 187 A N 0.374 123.195 122.820 0.002 0.000 1.940 187 A HA -0.119 4.199 4.320 -0.003 0.000 0.219 187 A C 1.994 179.625 177.584 0.079 0.000 1.176 187 A CA 1.654 53.705 52.037 0.023 0.000 0.631 187 A CB -0.816 18.170 19.000 -0.022 0.000 0.814 187 A HN 0.241 nan 8.150 nan 0.000 0.446 188 L N -0.691 120.575 121.223 0.071 0.000 2.109 188 L HA -0.049 4.289 4.340 -0.003 0.000 0.207 188 L C 2.517 179.483 176.870 0.160 0.000 1.086 188 L CA 1.872 56.795 54.840 0.138 0.000 0.760 188 L CB -0.909 41.222 42.059 0.119 0.000 0.910 188 L HN 0.541 nan 8.230 nan 0.000 0.437 189 R N -0.099 120.461 120.500 0.099 0.000 2.073 189 R HA -0.190 4.148 4.340 -0.003 0.000 0.234 189 R C 1.790 178.134 176.300 0.072 0.000 1.134 189 R CA 1.990 58.136 56.100 0.076 0.000 0.952 189 R CB 0.010 30.336 30.300 0.043 0.000 0.850 189 R HN 0.285 nan 8.270 nan 0.000 0.433 190 D N -0.670 119.776 120.400 0.076 0.000 2.097 190 D HA -0.202 4.436 4.640 -0.003 0.000 0.195 190 D C 1.527 177.883 176.300 0.093 0.000 0.989 190 D CA 1.263 55.304 54.000 0.067 0.000 0.827 190 D CB -0.356 40.487 40.800 0.071 0.000 0.966 190 D HN 0.279 nan 8.370 nan 0.000 0.456 191 Y N 1.053 121.378 120.300 0.042 0.000 2.181 191 Y HA -0.103 4.446 4.550 -0.002 0.000 0.288 191 Y C 1.996 177.949 175.900 0.088 0.000 1.146 191 Y CA 1.265 59.400 58.100 0.058 0.000 1.164 191 Y CB -0.309 38.184 38.460 0.055 0.000 0.982 191 Y HN -0.061 nan 8.280 nan 0.000 0.515 192 L N -0.393 120.886 121.223 0.093 0.000 2.131 192 L HA -0.217 4.121 4.340 -0.003 0.000 0.210 192 L C 2.718 179.574 176.870 -0.023 0.000 1.092 192 L CA 1.032 55.912 54.840 0.067 0.000 0.759 192 L CB -0.943 41.214 42.059 0.163 0.000 0.903 192 L HN 0.349 nan 8.230 nan 0.000 0.435 193 A N 0.050 122.848 122.820 -0.036 0.000 1.933 193 A HA -0.143 4.176 4.320 -0.003 0.000 0.218 193 A C 2.241 179.788 177.584 -0.061 0.000 1.175 193 A CA 1.262 53.262 52.037 -0.062 0.000 0.628 193 A CB -0.522 18.442 19.000 -0.060 0.000 0.814 193 A HN 0.367 nan 8.150 nan 0.000 0.444 194 L N -0.773 120.408 121.223 -0.070 0.000 2.156 194 L HA -0.108 4.230 4.340 -0.003 0.000 0.208 194 L C 2.551 179.398 176.870 -0.039 0.000 1.095 194 L CA 0.869 55.717 54.840 0.013 0.000 0.770 194 L CB -0.396 41.620 42.059 -0.073 0.000 0.914 194 L HN 0.396 nan 8.230 nan 0.000 0.439 195 E N -0.144 119.938 120.200 -0.197 0.000 2.106 195 E HA -0.156 4.192 4.350 -0.003 0.000 0.192 195 E C 2.306 178.789 176.600 -0.196 0.000 0.984 195 E CA 1.058 57.398 56.400 -0.101 0.000 0.806 195 E CB -0.030 29.704 29.700 0.058 0.000 0.750 195 E HN 0.300 nan 8.360 nan 0.000 0.458 196 V N 1.989 121.709 119.914 -0.324 0.000 2.307 196 V HA -0.234 3.884 4.120 -0.003 0.000 0.245 196 V C 1.890 177.771 176.094 -0.355 0.000 1.045 196 V CA 1.858 63.810 62.300 -0.579 0.000 1.024 196 V CB -0.449 31.100 31.823 -0.457 0.000 0.651 196 V HN 0.106 nan 8.190 nan 0.000 0.449 197 D N 0.592 120.898 120.400 -0.157 0.000 2.092 197 D HA -0.170 4.468 4.640 -0.003 0.000 0.193 197 D C 2.238 178.436 176.300 -0.169 0.000 0.994 197 D CA 1.867 55.808 54.000 -0.099 0.000 0.828 197 D CB -0.427 40.450 40.800 0.128 0.000 0.963 197 D HN 0.426 nan 8.370 nan 0.000 0.450 198 A N 0.636 123.428 122.820 -0.048 0.000 1.933 198 A HA -0.212 4.106 4.320 -0.003 0.000 0.218 198 A C 2.124 179.690 177.584 -0.031 0.000 1.175 198 A CA 1.932 53.958 52.037 -0.018 0.000 0.628 198 A CB -0.487 18.590 19.000 0.128 0.000 0.814 198 A HN 0.144 nan 8.150 nan 0.000 0.444 199 E N 0.763 120.915 120.200 -0.080 0.000 2.072 199 E HA -0.145 4.203 4.350 -0.003 0.000 0.191 199 E C 1.787 178.382 176.600 -0.008 0.000 0.985 199 E CA 1.521 57.894 56.400 -0.044 0.000 0.801 199 E CB -0.332 29.247 29.700 -0.200 0.000 0.750 199 E HN 0.551 nan 8.360 nan 0.000 0.452 200 N N 0.040 118.692 118.700 -0.080 0.000 2.166 200 N HA -0.111 4.628 4.740 -0.003 0.000 0.186 200 N C 1.875 177.569 175.510 0.305 0.000 1.019 200 N CA 1.008 54.107 53.050 0.081 0.000 0.856 200 N CB -0.190 38.257 38.487 -0.067 0.000 0.993 200 N HN 0.255 nan 8.380 nan 0.000 0.426 201 L N 1.123 122.412 121.223 0.111 0.000 2.056 201 L HA -0.126 4.213 4.340 -0.003 0.000 0.207 201 L C 2.597 179.552 176.870 0.143 0.000 1.078 201 L CA 1.108 56.004 54.840 0.094 0.000 0.749 201 L CB -0.336 41.680 42.059 -0.071 0.000 0.901 201 L HN 0.248 nan 8.230 nan 0.000 0.433 202 R N -0.794 119.770 120.500 0.107 0.000 2.115 202 R HA -0.090 4.248 4.340 -0.003 0.000 0.230 202 R C 1.977 178.380 176.300 0.172 0.000 1.111 202 R CA 1.666 57.836 56.100 0.116 0.000 0.976 202 R CB -1.005 29.342 30.300 0.078 0.000 0.870 202 R HN 0.076 nan 8.270 nan 0.000 0.445 203 T N 1.149 115.820 114.554 0.196 0.000 2.737 203 T HA -0.018 4.330 4.350 -0.003 0.000 0.265 203 T C 2.063 176.839 174.700 0.128 0.000 1.038 203 T CA 1.494 63.714 62.100 0.199 0.000 1.144 203 T CB -0.276 68.779 68.868 0.311 0.000 0.866 203 T HN 0.498 nan 8.240 nan 0.000 0.434 204 A N 0.551 123.450 122.820 0.131 0.000 1.940 204 A HA -0.046 4.272 4.320 -0.003 0.000 0.219 204 A C 2.014 179.524 177.584 -0.123 0.000 1.176 204 A CA 1.326 53.227 52.037 -0.226 0.000 0.631 204 A CB -0.950 17.831 19.000 -0.365 0.000 0.814 204 A HN 0.498 nan 8.150 nan 0.000 0.446 205 F N 0.389 120.286 119.950 -0.087 0.000 2.113 205 F HA -0.101 4.424 4.527 -0.002 0.000 0.297 205 F C 2.271 178.040 175.800 -0.052 0.000 1.103 205 F CA 2.017 59.987 58.000 -0.050 0.000 1.248 205 F CB -0.027 38.984 39.000 0.019 0.000 0.999 205 F HN 0.101 nan 8.300 nan 0.000 0.475 206 K N -0.038 120.482 120.400 0.200 0.000 2.147 206 K HA -0.082 4.236 4.320 -0.003 0.000 0.205 206 K C 1.508 178.085 176.600 -0.038 0.000 1.049 206 K CA 1.191 57.536 56.287 0.097 0.000 0.936 206 K CB -0.195 32.350 32.500 0.076 0.000 0.722 206 K HN 0.331 nan 8.250 nan 0.000 0.446 207 L N 0.962 122.113 121.223 -0.120 0.000 2.700 207 L HA 0.110 4.448 4.340 -0.003 0.000 0.234 207 L C 0.657 177.390 176.870 -0.229 0.000 1.156 207 L CA -0.324 54.390 54.840 -0.211 0.000 0.946 207 L CB 0.014 41.864 42.059 -0.348 0.000 1.216 207 L HN 0.207 nan 8.230 nan 0.000 0.493 208 Q N 1.053 120.705 119.800 -0.245 0.000 2.286 208 Q HA 0.090 4.429 4.340 -0.003 0.000 0.290 208 Q C 1.274 177.130 176.000 -0.239 0.000 1.049 208 Q CA 1.110 56.727 55.803 -0.309 0.000 0.923 208 Q CB 0.490 28.955 28.738 -0.454 0.000 1.183 208 Q HN 0.424 nan 8.270 nan 0.000 0.383 209 G N 2.389 111.055 108.800 -0.222 0.000 2.189 209 G HA2 -0.373 3.586 3.960 -0.003 0.000 0.267 209 G HA3 -0.373 3.586 3.960 -0.003 0.000 0.267 209 G C 0.757 175.585 174.900 -0.121 0.000 0.975 209 G CA 0.842 45.845 45.100 -0.162 0.000 0.644 209 G HN 0.897 nan 8.290 nan 0.000 0.537 210 S N -0.509 115.113 115.700 -0.130 0.000 2.423 210 S HA 0.308 4.776 4.470 -0.003 0.000 0.231 210 S C 2.495 177.056 174.600 -0.066 0.000 1.014 210 S CA 1.629 59.771 58.200 -0.098 0.000 0.965 210 S CB -0.278 62.846 63.200 -0.128 0.000 0.785 210 S HN 2.418 nan 8.310 nan 0.000 0.495 211 G N 0.788 109.545 108.800 -0.071 0.000 2.143 211 G HA2 -0.220 3.739 3.960 -0.003 0.000 0.249 211 G HA3 -0.220 3.739 3.960 -0.003 0.000 0.249 211 G C -0.048 174.853 174.900 0.001 0.000 0.981 211 G CA 0.323 45.400 45.100 -0.038 0.000 0.665 211 G HN 0.555 nan 8.290 nan 0.000 0.528 212 L N 0.572 121.802 121.223 0.011 0.000 2.453 212 L HA 0.617 4.955 4.340 -0.003 0.000 0.261 212 L C 1.349 178.315 176.870 0.159 0.000 1.179 212 L CA -0.325 54.585 54.840 0.117 0.000 0.813 212 L CB 0.947 43.105 42.059 0.166 0.000 1.110 212 L HN 0.308 nan 8.230 nan 0.000 0.466 213 A N 3.114 126.063 122.820 0.215 0.000 2.484 213 A HA 0.243 4.561 4.320 -0.003 0.000 0.268 213 A C -1.650 176.117 177.584 0.304 0.000 1.114 213 A CA -1.008 51.140 52.037 0.185 0.000 0.780 213 A CB -0.110 18.967 19.000 0.128 0.000 1.061 213 A HN 0.581 nan 8.150 nan 0.000 0.505 214 P HA -0.158 nan 4.420 nan 0.000 0.216 214 P C 0.515 178.108 177.300 0.488 0.000 1.153 214 P CA 1.355 64.705 63.100 0.417 0.000 0.858 214 P CB 0.194 32.042 31.700 0.246 0.000 0.789 215 D N -0.991 119.563 120.400 0.257 0.000 2.263 215 D HA -0.087 4.551 4.640 -0.003 0.000 0.208 215 D C 1.770 178.148 176.300 0.129 0.000 0.971 215 D CA 1.103 55.209 54.000 0.178 0.000 0.867 215 D CB -0.637 40.215 40.800 0.086 0.000 0.929 215 D HN 0.122 nan 8.370 nan 0.000 0.492 216 A N -1.112 121.762 122.820 0.090 0.000 2.206 216 A HA 0.049 4.367 4.320 -0.003 0.000 0.211 216 A C 1.179 178.494 177.584 -0.447 0.000 1.158 216 A CA 0.476 52.399 52.037 -0.191 0.000 0.761 216 A CB -0.231 18.590 19.000 -0.297 0.000 0.801 216 A HN 0.176 nan 8.150 nan 0.000 0.473 217 F N -3.178 116.887 119.950 0.192 0.000 2.831 217 F HA 0.340 4.866 4.527 -0.003 0.000 0.334 217 F C 0.345 176.167 175.800 0.037 0.000 1.071 217 F CA -1.015 57.099 58.000 0.190 0.000 1.172 217 F CB 0.239 39.434 39.000 0.325 0.000 1.054 217 F HN 0.135 nan 8.300 nan 0.000 0.572 218 F N 3.042 122.924 119.950 -0.113 0.000 2.529 218 F HA 0.363 4.889 4.527 -0.002 0.000 0.365 218 F C -0.247 175.347 175.800 -0.344 0.000 1.102 218 F CA -0.607 57.015 58.000 -0.631 0.000 1.271 218 F CB 0.335 39.045 39.000 -0.484 0.000 1.120 218 F HN -0.242 nan 8.300 nan 0.000 0.579 219 L N 7.094 127.598 121.223 -1.198 0.000 2.282 219 L HA 0.378 4.717 4.340 -0.003 0.000 0.288 219 L C 0.070 176.270 176.870 -1.117 0.000 1.033 219 L CA -0.815 53.521 54.840 -0.840 0.000 0.807 219 L CB 1.368 43.063 42.059 -0.606 0.000 1.209 219 L HN 0.610 nan 8.230 nan 0.000 0.423 220 K N 1.209 121.260 120.400 -0.582 0.000 2.102 220 K HA 0.534 4.852 4.320 -0.003 0.000 0.244 220 K C 0.884 177.325 176.600 -0.266 0.000 1.021 220 K CA 0.287 56.364 56.287 -0.350 0.000 0.913 220 K CB 0.937 33.374 32.500 -0.105 0.000 1.062 220 K HN 0.808 nan 8.250 nan 0.000 0.485 221 G N -0.101 108.603 108.800 -0.161 0.000 2.159 221 G HA2 -0.194 3.765 3.960 -0.003 0.000 0.227 221 G HA3 -0.194 3.765 3.960 -0.003 0.000 0.227 221 G C 0.434 175.252 174.900 -0.137 0.000 0.986 221 G CA -0.141 44.886 45.100 -0.121 0.000 0.651 221 G HN 0.833 nan 8.290 nan 0.000 0.523 222 G N -1.011 107.687 108.800 -0.170 0.000 2.504 222 G HA2 0.612 4.570 3.960 -0.003 0.000 0.257 222 G HA3 0.612 4.570 3.960 -0.003 0.000 0.257 222 G C 0.678 175.506 174.900 -0.119 0.000 1.451 222 G CA 0.697 45.712 45.100 -0.143 0.000 1.059 222 G HN 0.572 nan 8.290 nan 0.000 0.550 223 R N -2.846 117.574 120.500 -0.133 0.000 3.372 223 R HA 0.236 4.574 4.340 -0.003 0.000 0.150 223 R C 1.775 177.832 176.300 -0.406 0.000 0.739 223 R CA 0.045 55.942 56.100 -0.338 0.000 1.041 223 R CB -0.025 29.949 30.300 -0.544 0.000 1.530 223 R HN 0.415 nan 8.270 nan 0.000 0.534 224 F N 0.721 120.742 119.950 0.118 0.000 2.582 224 F HA 0.299 4.824 4.527 -0.003 0.000 0.290 224 F C 0.673 176.523 175.800 0.083 0.000 1.115 224 F CA 0.042 58.120 58.000 0.129 0.000 1.445 224 F CB 0.804 39.948 39.000 0.241 0.000 1.126 224 F HN -0.234 nan 8.300 nan 0.000 0.574 225 V N 2.821 122.853 119.914 0.198 0.000 2.258 225 V HA 0.116 4.234 4.120 -0.003 0.000 0.258 225 V C -0.479 175.755 176.094 0.233 0.000 1.121 225 V CA -1.033 61.356 62.300 0.149 0.000 0.942 225 V CB -1.081 30.771 31.823 0.049 0.000 1.170 225 V HN 0.176 nan 8.190 nan 0.000 0.487 226 D N 2.619 123.127 120.400 0.181 0.000 2.371 226 D HA 0.135 4.774 4.640 -0.003 0.000 0.242 226 D C 1.286 177.574 176.300 -0.019 0.000 1.218 226 D CA -0.704 53.378 54.000 0.137 0.000 0.945 226 D CB 0.932 41.764 40.800 0.053 0.000 1.137 226 D HN 0.167 nan 8.370 nan 0.000 0.464 227 R N 0.250 120.486 120.500 -0.441 0.000 2.139 227 R HA -0.153 4.185 4.340 -0.003 0.000 0.243 227 R C 1.649 177.782 176.300 -0.279 0.000 1.145 227 R CA 1.099 56.654 56.100 -0.907 0.000 0.976 227 R CB -0.323 29.444 30.300 -0.888 0.000 0.866 227 R HN 0.492 nan 8.270 nan 0.000 0.449 228 V N 0.367 120.197 119.914 -0.139 0.000 2.307 228 V HA -0.206 3.912 4.120 -0.003 0.000 0.245 228 V C 2.337 178.423 176.094 -0.014 0.000 1.045 228 V CA 1.792 64.055 62.300 -0.061 0.000 1.024 228 V CB -0.435 31.364 31.823 -0.040 0.000 0.651 228 V HN 0.363 nan 8.190 nan 0.000 0.449 229 R N -1.101 119.416 120.500 0.028 0.000 2.096 229 R HA -0.158 4.180 4.340 -0.003 0.000 0.235 229 R C 2.213 178.562 176.300 0.081 0.000 1.127 229 R CA 1.857 57.989 56.100 0.053 0.000 0.968 229 R CB -0.455 29.895 30.300 0.082 0.000 0.861 229 R HN 0.529 nan 8.270 nan 0.000 0.440 230 F N 1.290 121.228 119.950 -0.019 0.000 2.075 230 F HA -0.172 4.354 4.527 -0.003 0.000 0.297 230 F C 2.259 178.047 175.800 -0.020 0.000 1.113 230 F CA 1.528 59.546 58.000 0.030 0.000 1.218 230 F CB -0.534 38.553 39.000 0.144 0.000 0.984 230 F HN -0.025 nan 8.300 nan 0.000 0.472 231 A N 0.657 123.441 122.820 -0.059 0.000 1.902 231 A HA -0.192 4.126 4.320 -0.003 0.000 0.217 231 A C 2.347 179.817 177.584 -0.190 0.000 1.181 231 A CA 1.779 53.719 52.037 -0.161 0.000 0.623 231 A CB -0.786 18.181 19.000 -0.054 0.000 0.818 231 A HN 0.479 nan 8.150 nan 0.000 0.443 232 R N -1.293 119.130 120.500 -0.129 0.000 2.083 232 R HA -0.144 4.194 4.340 -0.003 0.000 0.237 232 R C 2.142 178.329 176.300 -0.188 0.000 1.137 232 R CA 1.574 57.597 56.100 -0.127 0.000 0.951 232 R CB -0.591 29.663 30.300 -0.075 0.000 0.851 232 R HN 0.488 nan 8.270 nan 0.000 0.434 233 L N 0.693 121.795 121.223 -0.202 0.000 2.056 233 L HA -0.098 4.240 4.340 -0.003 0.000 0.207 233 L C 2.246 178.892 176.870 -0.373 0.000 1.078 233 L CA 1.629 56.314 54.840 -0.259 0.000 0.749 233 L CB -0.348 41.616 42.059 -0.158 0.000 0.901 233 L HN 0.156 nan 8.230 nan 0.000 0.433 234 M N -0.931 118.412 119.600 -0.428 0.000 2.213 234 M HA -0.180 4.298 4.480 -0.003 0.000 0.263 234 M C 1.334 177.433 176.300 -0.335 0.000 1.062 234 M CA 1.572 56.605 55.300 -0.445 0.000 1.105 234 M CB -0.020 32.226 32.600 -0.591 0.000 1.385 234 M HN 0.303 nan 8.290 nan 0.000 0.417 235 E N -0.786 119.245 120.200 -0.282 0.000 2.437 235 E HA 0.141 4.489 4.350 -0.003 0.000 0.189 235 E C 0.843 177.299 176.600 -0.240 0.000 1.054 235 E CA 0.409 56.678 56.400 -0.219 0.000 0.874 235 E CB 0.250 29.856 29.700 -0.158 0.000 1.011 235 E HN 0.748 nan 8.360 nan 0.000 0.474 236 G N 2.265 110.861 108.800 -0.341 0.000 2.179 236 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.220 236 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.220 236 G C -0.110 174.531 174.900 -0.431 0.000 0.990 236 G CA -0.132 44.716 45.100 -0.420 0.000 0.646 236 G HN 0.262 nan 8.290 nan 0.000 0.517 237 D N 0.178 120.385 120.400 -0.322 0.000 2.468 237 D HA 0.473 5.112 4.640 -0.003 0.000 0.218 237 D C 1.191 177.391 176.300 -0.167 0.000 1.155 237 D CA -0.760 53.122 54.000 -0.197 0.000 0.924 237 D CB -0.012 40.719 40.800 -0.113 0.000 1.029 237 D HN 0.229 nan 8.370 nan 0.000 0.515 238 Y N 2.109 122.369 120.300 -0.066 0.000 2.421 238 Y HA -0.059 4.490 4.550 -0.003 0.000 0.292 238 Y C 2.407 178.307 175.900 0.000 0.000 1.136 238 Y CA 0.930 59.011 58.100 -0.031 0.000 1.255 238 Y CB -0.354 38.093 38.460 -0.021 0.000 0.991 238 Y HN 0.547 nan 8.280 nan 0.000 0.552 239 A N -0.419 122.482 122.820 0.135 0.000 2.076 239 A HA -0.153 4.165 4.320 -0.003 0.000 0.220 239 A C 2.373 179.996 177.584 0.065 0.000 1.160 239 A CA 1.611 53.698 52.037 0.084 0.000 0.653 239 A CB -1.121 17.909 19.000 0.049 0.000 0.801 239 A HN 0.274 nan 8.150 nan 0.000 0.455 240 V N 0.082 120.027 119.914 0.053 0.000 2.392 240 V HA -0.287 3.832 4.120 -0.003 0.000 0.249 240 V C 2.423 178.553 176.094 0.061 0.000 1.059 240 V CA 2.026 64.351 62.300 0.041 0.000 1.051 240 V CB -0.721 31.114 31.823 0.020 0.000 0.658 240 V HN 0.644 nan 8.190 nan 0.000 0.455 241 L N -0.060 121.218 121.223 0.092 0.000 2.362 241 L HA -0.117 4.221 4.340 -0.003 0.000 0.219 241 L C 1.654 178.569 176.870 0.074 0.000 1.134 241 L CA 1.012 55.908 54.840 0.095 0.000 0.807 241 L CB -0.547 41.597 42.059 0.142 0.000 0.927 241 L HN 0.387 nan 8.230 nan 0.000 0.447 242 D N -0.467 119.972 120.400 0.066 0.000 2.339 242 D HA -0.029 4.609 4.640 -0.003 0.000 0.217 242 D C 1.126 177.449 176.300 0.039 0.000 1.050 242 D CA 0.435 54.463 54.000 0.047 0.000 0.856 242 D CB 0.278 41.103 40.800 0.042 0.000 0.922 242 D HN 0.384 nan 8.370 nan 0.000 0.518 243 E N 0.041 120.266 120.200 0.043 0.000 2.501 243 E HA 0.187 4.535 4.350 -0.003 0.000 0.200 243 E C 0.911 177.536 176.600 0.041 0.000 1.016 243 E CA -0.024 56.399 56.400 0.038 0.000 0.921 243 E CB 0.489 30.212 29.700 0.037 0.000 1.034 243 E HN 0.189 nan 8.360 nan 0.000 0.468 244 L N 0.776 122.026 121.223 0.044 0.000 2.741 244 L HA 0.102 4.441 4.340 -0.003 0.000 0.237 244 L C 1.991 178.865 176.870 0.007 0.000 1.178 244 L CA -0.025 54.842 54.840 0.045 0.000 0.973 244 L CB -0.046 42.066 42.059 0.089 0.000 1.255 244 L HN 0.114 nan 8.230 nan 0.000 0.498 245 S N -0.172 115.530 115.700 0.004 0.000 2.419 245 S HA -0.152 4.317 4.470 -0.003 0.000 0.235 245 S C 1.740 176.317 174.600 -0.039 0.000 1.019 245 S CA 1.229 59.420 58.200 -0.015 0.000 0.982 245 S CB -0.512 62.685 63.200 -0.004 0.000 0.789 245 S HN 0.478 nan 8.310 nan 0.000 0.490 246 G N 1.304 110.081 108.800 -0.038 0.000 3.233 246 G HA2 0.382 4.340 3.960 -0.003 0.000 0.227 246 G HA3 0.382 4.340 3.960 -0.003 0.000 0.227 246 G C 0.359 175.179 174.900 -0.134 0.000 1.175 246 G CA 0.345 45.414 45.100 -0.051 0.000 0.781 246 G HN 0.754 nan 8.290 nan 0.000 0.542 247 T N -4.003 110.415 114.554 -0.227 0.000 2.888 247 T HA 0.555 4.903 4.350 -0.003 0.000 0.288 247 T C -2.275 172.143 174.700 -0.469 0.000 1.063 247 T CA -1.596 60.177 62.100 -0.545 0.000 1.010 247 T CB 2.316 70.768 68.868 -0.693 0.000 1.214 247 T HN -0.196 nan 8.240 nan 0.000 0.533 248 P HA 0.144 nan 4.420 nan 0.000 0.225 248 P C 0.375 177.318 177.300 -0.594 0.000 1.148 248 P CA 0.634 63.384 63.100 -0.583 0.000 0.779 248 P CB -0.185 31.108 31.700 -0.679 0.000 0.780 249 F N -0.670 119.146 119.950 -0.224 0.000 2.692 249 F HA 0.068 4.593 4.527 -0.003 0.000 0.303 249 F C 2.054 177.794 175.800 -0.099 0.000 1.114 249 F CA 0.208 58.133 58.000 -0.126 0.000 1.361 249 F CB -1.044 37.905 39.000 -0.086 0.000 1.063 249 F HN -0.054 nan 8.300 nan 0.000 0.550 250 S N -0.396 115.294 115.700 -0.016 0.000 2.402 250 S HA -0.179 4.289 4.470 -0.003 0.000 0.233 250 S C 2.310 176.913 174.600 0.005 0.000 1.030 250 S CA 1.259 59.453 58.200 -0.011 0.000 1.003 250 S CB -1.080 62.089 63.200 -0.051 0.000 0.813 250 S HN 0.401 nan 8.310 nan 0.000 0.477 251 G N 0.897 109.693 108.800 -0.006 0.000 2.776 251 G HA2 0.184 4.142 3.960 -0.003 0.000 0.209 251 G HA3 0.184 4.142 3.960 -0.003 0.000 0.209 251 G C 1.102 176.014 174.900 0.020 0.000 1.145 251 G CA 0.204 45.301 45.100 -0.004 0.000 0.791 251 G HN 0.563 nan 8.290 nan 0.000 0.530 252 L N 0.765 122.020 121.223 0.053 0.000 2.591 252 L HA 0.163 4.501 4.340 -0.003 0.000 0.228 252 L C 1.576 178.474 176.870 0.047 0.000 1.133 252 L CA -0.295 54.579 54.840 0.056 0.000 0.880 252 L CB -0.025 42.089 42.059 0.091 0.000 1.033 252 L HN 0.166 nan 8.230 nan 0.000 0.450 253 S N 0.296 116.018 115.700 0.037 0.000 2.546 253 S HA 0.265 4.733 4.470 -0.003 0.000 0.290 253 S C 1.353 175.965 174.600 0.020 0.000 1.290 253 S CA 0.758 58.977 58.200 0.032 0.000 1.069 253 S CB 0.495 63.708 63.200 0.021 0.000 0.846 253 S HN 0.649 nan 8.310 nan 0.000 0.495 254 G N 3.019 111.832 108.800 0.021 0.000 2.225 254 G HA2 -0.249 3.710 3.960 -0.003 0.000 0.254 254 G HA3 -0.249 3.710 3.960 -0.003 0.000 0.254 254 G C 0.209 175.101 174.900 -0.014 0.000 0.988 254 G CA 0.054 45.154 45.100 -0.001 0.000 0.625 254 G HN 1.066 nan 8.290 nan 0.000 0.527 255 V N 1.881 121.799 119.914 0.007 0.000 2.540 255 V HA 0.331 4.450 4.120 -0.003 0.000 0.297 255 V C 1.297 177.394 176.094 0.005 0.000 1.024 255 V CA 0.665 62.964 62.300 -0.001 0.000 1.105 255 V CB 1.151 32.975 31.823 0.003 0.000 0.938 255 V HN 0.385 nan 8.190 nan 0.000 0.482 256 R N 2.900 123.371 120.500 -0.048 0.000 2.566 256 R HA 0.239 4.578 4.340 -0.003 0.000 0.388 256 R C -0.234 176.120 176.300 0.090 0.000 0.989 256 R CA -0.145 55.856 56.100 -0.164 0.000 1.164 256 R CB 0.480 30.578 30.300 -0.336 0.000 1.459 256 R HN 0.942 nan 8.270 nan 0.000 0.553 257 D N -0.721 119.742 120.400 0.105 0.000 2.756 257 D HA 0.020 4.658 4.640 -0.003 0.000 0.226 257 D C 0.648 176.815 176.300 -0.222 0.000 1.186 257 D CA -0.730 53.327 54.000 0.096 0.000 0.845 257 D CB 1.600 42.416 40.800 0.026 0.000 1.610 257 D HN -0.233 nan 8.370 nan 0.000 0.465 258 L N 1.419 122.514 121.223 -0.215 0.000 2.127 258 L HA -0.175 4.163 4.340 -0.003 0.000 0.211 258 L C 2.147 178.885 176.870 -0.221 0.000 1.089 258 L CA 1.833 56.442 54.840 -0.385 0.000 0.757 258 L CB -0.660 41.340 42.059 -0.099 0.000 0.899 258 L HN 0.473 nan 8.230 nan 0.000 0.434 259 K N -0.086 120.246 120.400 -0.112 0.000 2.002 259 K HA -0.105 4.213 4.320 -0.003 0.000 0.209 259 K C 1.997 178.549 176.600 -0.080 0.000 1.048 259 K CA 1.644 57.889 56.287 -0.069 0.000 0.930 259 K CB -0.511 31.966 32.500 -0.037 0.000 0.714 259 K HN 0.401 nan 8.250 nan 0.000 0.438 260 A N 1.351 124.115 122.820 -0.092 0.000 1.972 260 A HA -0.153 4.165 4.320 -0.003 0.000 0.219 260 A C 2.191 179.712 177.584 -0.104 0.000 1.169 260 A CA 1.402 53.392 52.037 -0.079 0.000 0.635 260 A CB -0.515 18.445 19.000 -0.068 0.000 0.810 260 A HN 0.355 nan 8.150 nan 0.000 0.446 261 L N -0.094 121.011 121.223 -0.197 0.000 2.027 261 L HA -0.122 4.217 4.340 -0.003 0.000 0.206 261 L C 2.188 178.989 176.870 -0.114 0.000 1.074 261 L CA 2.254 56.968 54.840 -0.211 0.000 0.745 261 L CB -0.609 41.174 42.059 -0.460 0.000 0.898 261 L HN 0.363 nan 8.230 nan 0.000 0.433 262 E N -0.237 119.902 120.200 -0.103 0.000 2.110 262 E HA -0.261 4.087 4.350 -0.003 0.000 0.193 262 E C 2.294 178.883 176.600 -0.019 0.000 0.988 262 E CA 1.031 57.410 56.400 -0.035 0.000 0.804 262 E CB -0.337 29.359 29.700 -0.005 0.000 0.745 262 E HN 0.517 nan 8.360 nan 0.000 0.458 263 R N 0.432 120.918 120.500 -0.023 0.000 2.073 263 R HA -0.112 4.226 4.340 -0.003 0.000 0.234 263 R C 2.379 178.660 176.300 -0.032 0.000 1.134 263 R CA 1.665 57.760 56.100 -0.008 0.000 0.952 263 R CB -0.509 29.791 30.300 -0.000 0.000 0.850 263 R HN 0.192 nan 8.270 nan 0.000 0.433 264 G N 0.964 109.747 108.800 -0.028 0.000 2.408 264 G HA2 -0.192 3.767 3.960 -0.003 0.000 0.217 264 G HA3 -0.192 3.767 3.960 -0.003 0.000 0.217 264 G C 1.540 176.436 174.900 -0.006 0.000 1.150 264 G CA 0.416 45.504 45.100 -0.020 0.000 0.776 264 G HN 0.230 nan 8.290 nan 0.000 0.542 265 L N -0.227 121.009 121.223 0.021 0.000 2.083 265 L HA -0.019 4.320 4.340 -0.003 0.000 0.209 265 L C 2.900 179.763 176.870 -0.012 0.000 1.083 265 L CA 1.200 56.080 54.840 0.066 0.000 0.752 265 L CB -0.355 41.746 42.059 0.071 0.000 0.899 265 L HN 0.211 nan 8.230 nan 0.000 0.433 266 R N -0.308 120.154 120.500 -0.064 0.000 2.073 266 R HA -0.174 4.164 4.340 -0.003 0.000 0.234 266 R C 2.448 178.595 176.300 -0.255 0.000 1.134 266 R CA 2.016 58.035 56.100 -0.135 0.000 0.952 266 R CB -0.434 29.791 30.300 -0.125 0.000 0.850 266 R HN 0.353 nan 8.270 nan 0.000 0.433 267 c N -0.186 118.247 118.600 -0.278 0.000 2.425 267 c HA -0.033 4.536 4.570 -0.003 0.000 0.277 267 c C 2.624 176.563 174.090 -0.251 0.000 1.280 267 c CA 0.477 56.601 56.329 -0.343 0.000 1.744 267 c CB -0.575 41.782 42.510 -0.255 0.000 1.989 267 c HN 0.395 nan 8.230 nan 0.000 0.491 268 V N 0.992 120.792 119.914 -0.190 0.000 2.295 268 V HA -0.220 3.898 4.120 -0.003 0.000 0.246 268 V C 2.317 178.306 176.094 -0.176 0.000 1.049 268 V CA 1.935 64.097 62.300 -0.231 0.000 1.024 268 V CB -0.608 31.026 31.823 -0.316 0.000 0.648 268 V HN 0.546 nan 8.190 nan 0.000 0.447 269 L N -0.813 120.351 121.223 -0.098 0.000 2.141 269 L HA -0.138 4.201 4.340 -0.003 0.000 0.209 269 L C 2.414 179.325 176.870 0.069 0.000 1.094 269 L CA 0.948 55.804 54.840 0.027 0.000 0.763 269 L CB -0.560 41.541 42.059 0.070 0.000 0.908 269 L HN 0.346 nan 8.230 nan 0.000 0.437 270 L N 0.485 121.645 121.223 -0.104 0.000 2.017 270 L HA -0.229 4.110 4.340 -0.003 0.000 0.208 270 L C 2.566 179.358 176.870 -0.130 0.000 1.073 270 L CA 1.884 56.619 54.840 -0.176 0.000 0.745 270 L CB -0.615 41.175 42.059 -0.448 0.000 0.894 270 L HN 0.131 nan 8.230 nan 0.000 0.432 271 K N -0.733 119.577 120.400 -0.150 0.000 2.063 271 K HA -0.274 4.044 4.320 -0.003 0.000 0.208 271 K C 2.127 178.699 176.600 -0.047 0.000 1.048 271 K CA 1.721 57.942 56.287 -0.109 0.000 0.928 271 K CB -0.136 32.285 32.500 -0.130 0.000 0.713 271 K HN 0.409 nan 8.250 nan 0.000 0.442 272 E N 0.535 120.730 120.200 -0.008 0.000 2.077 272 E HA -0.128 4.220 4.350 -0.003 0.000 0.193 272 E C 1.644 178.308 176.600 0.106 0.000 0.989 272 E CA 1.604 58.047 56.400 0.071 0.000 0.800 272 E CB -0.282 29.495 29.700 0.128 0.000 0.746 272 E HN 0.387 nan 8.360 nan 0.000 0.452 273 A N 0.918 123.793 122.820 0.092 0.000 1.933 273 A HA -0.191 4.127 4.320 -0.003 0.000 0.218 273 A C 2.006 179.557 177.584 -0.055 0.000 1.175 273 A CA 1.728 53.721 52.037 -0.074 0.000 0.628 273 A CB -0.468 18.426 19.000 -0.176 0.000 0.814 273 A HN 0.229 nan 8.150 nan 0.000 0.444 274 K N -0.075 120.305 120.400 -0.034 0.000 2.360 274 K HA -0.104 4.214 4.320 -0.003 0.000 0.201 274 K C 1.666 178.259 176.600 -0.011 0.000 1.046 274 K CA 1.148 57.422 56.287 -0.021 0.000 0.945 274 K CB -0.112 32.374 32.500 -0.024 0.000 0.750 274 K HN 0.460 nan 8.250 nan 0.000 0.464 275 K N 0.171 120.566 120.400 -0.007 0.000 2.209 275 K HA -0.091 4.227 4.320 -0.003 0.000 0.204 275 K C 2.165 178.761 176.600 -0.007 0.000 1.048 275 K CA 1.020 57.306 56.287 -0.001 0.000 0.940 275 K CB -0.159 32.348 32.500 0.011 0.000 0.729 275 K HN 0.260 nan 8.250 nan 0.000 0.451 276 G N 1.494 110.284 108.800 -0.016 0.000 2.485 276 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.221 276 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.221 276 G C 1.563 176.453 174.900 -0.018 0.000 1.115 276 G CA 1.133 46.218 45.100 -0.026 0.000 0.751 276 G HN 0.284 nan 8.290 nan 0.000 0.567 277 V N -1.656 118.255 119.914 -0.005 0.000 2.688 277 V HA -0.198 3.921 4.120 -0.003 0.000 0.256 277 V C 2.176 178.267 176.094 -0.006 0.000 1.084 277 V CA 2.192 64.493 62.300 0.002 0.000 1.103 277 V CB -0.654 31.176 31.823 0.012 0.000 0.688 277 V HN 0.492 nan 8.190 nan 0.000 0.480 278 Q N 0.567 120.361 119.800 -0.009 0.000 2.482 278 Q HA 0.004 4.343 4.340 -0.003 0.000 0.209 278 Q C 0.562 176.549 176.000 -0.021 0.000 0.961 278 Q CA 1.092 56.889 55.803 -0.011 0.000 0.945 278 Q CB -0.035 28.698 28.738 -0.009 0.000 1.012 278 Q HN 0.793 nan 8.270 nan 0.000 0.515 279 D N -0.543 119.839 120.400 -0.030 0.000 2.749 279 D HA 0.164 4.802 4.640 -0.003 0.000 0.338 279 D C -2.177 174.092 176.300 -0.052 0.000 1.236 279 D CA -2.144 51.826 54.000 -0.049 0.000 0.845 279 D CB 0.875 41.633 40.800 -0.070 0.000 1.080 279 D HN -0.159 nan 8.370 nan 0.000 0.497 280 P HA -0.047 nan 4.420 nan 0.000 0.223 280 P C 0.899 178.181 177.300 -0.030 0.000 1.144 280 P CA 0.917 64.001 63.100 -0.027 0.000 0.783 280 P CB 0.233 31.922 31.700 -0.018 0.000 0.771 281 L N -3.385 117.814 121.223 -0.040 0.000 2.693 281 L HA 0.349 4.687 4.340 -0.003 0.000 0.235 281 L C 1.314 178.137 176.870 -0.077 0.000 1.127 281 L CA -0.270 54.551 54.840 -0.032 0.000 0.914 281 L CB -0.035 42.012 42.059 -0.020 0.000 1.193 281 L HN -0.033 nan 8.230 nan 0.000 0.502 282 G N -0.712 107.999 108.800 -0.149 0.000 3.075 282 G HA2 0.300 4.258 3.960 -0.003 0.000 0.253 282 G HA3 0.300 4.258 3.960 -0.003 0.000 0.253 282 G C 0.416 175.063 174.900 -0.422 0.000 1.353 282 G CA -0.133 44.757 45.100 -0.350 0.000 1.051 282 G HN -0.296 nan 8.290 nan 0.000 0.553 283 V N 0.757 120.249 119.914 -0.704 0.000 2.720 283 V HA -0.003 4.115 4.120 -0.003 0.000 0.256 283 V C 2.567 178.578 176.094 -0.138 0.000 1.082 283 V CA 2.904 64.957 62.300 -0.411 0.000 1.101 283 V CB -0.728 30.882 31.823 -0.356 0.000 0.693 283 V HN 0.842 nan 8.190 nan 0.000 0.479 284 G N 0.003 108.717 108.800 -0.143 0.000 2.469 284 G HA2 -0.252 3.707 3.960 -0.003 0.000 0.220 284 G HA3 -0.252 3.707 3.960 -0.003 0.000 0.220 284 G C 1.526 176.399 174.900 -0.044 0.000 1.136 284 G CA 1.067 46.120 45.100 -0.079 0.000 0.759 284 G HN 0.451 nan 8.290 nan 0.000 0.562 285 L N 0.700 121.902 121.223 -0.034 0.000 2.017 285 L HA 0.007 4.346 4.340 -0.003 0.000 0.208 285 L C 2.942 179.841 176.870 0.049 0.000 1.073 285 L CA 1.641 56.483 54.840 0.003 0.000 0.745 285 L CB -0.884 41.170 42.059 -0.008 0.000 0.894 285 L HN 0.196 nan 8.230 nan 0.000 0.432 286 V N -0.119 119.830 119.914 0.059 0.000 2.515 286 V HA -0.229 3.889 4.120 -0.003 0.000 0.250 286 V C 2.591 178.741 176.094 0.094 0.000 1.058 286 V CA 1.445 63.816 62.300 0.118 0.000 1.064 286 V CB -0.096 31.808 31.823 0.134 0.000 0.675 286 V HN 0.472 nan 8.190 nan 0.000 0.461 287 L N 1.209 122.435 121.223 0.005 0.000 2.012 287 L HA -0.042 4.296 4.340 -0.003 0.000 0.210 287 L C 2.495 179.296 176.870 -0.114 0.000 1.073 287 L CA 2.795 57.568 54.840 -0.113 0.000 0.748 287 L CB -1.271 40.674 42.059 -0.190 0.000 0.891 287 L HN 0.292 nan 8.230 nan 0.000 0.431 288 A N -1.488 121.303 122.820 -0.048 0.000 1.902 288 A HA -0.274 4.045 4.320 -0.003 0.000 0.217 288 A C 2.319 179.920 177.584 0.029 0.000 1.181 288 A CA 1.771 53.797 52.037 -0.020 0.000 0.623 288 A CB -1.257 17.750 19.000 0.011 0.000 0.818 288 A HN 0.662 nan 8.150 nan 0.000 0.443 289 Y N 0.785 121.070 120.300 -0.023 0.000 2.097 289 Y HA -0.201 4.348 4.550 -0.003 0.000 0.282 289 Y C 2.353 178.259 175.900 0.010 0.000 1.152 289 Y CA 2.010 60.110 58.100 -0.000 0.000 1.136 289 Y CB -0.527 37.931 38.460 -0.003 0.000 0.975 289 Y HN 0.058 nan 8.280 nan 0.000 0.498 290 V N 0.420 120.277 119.914 -0.094 0.000 2.287 290 V HA -0.310 3.808 4.120 -0.003 0.000 0.248 290 V C 2.235 178.244 176.094 -0.141 0.000 1.053 290 V CA 2.396 64.606 62.300 -0.149 0.000 1.027 290 V CB -0.628 31.191 31.823 -0.007 0.000 0.646 290 V HN 0.222 nan 8.190 nan 0.000 0.447 291 K N 0.096 120.434 120.400 -0.103 0.000 2.148 291 K HA -0.097 4.221 4.320 -0.003 0.000 0.204 291 K C 2.043 178.632 176.600 -0.018 0.000 1.050 291 K CA 1.058 57.309 56.287 -0.061 0.000 0.942 291 K CB -0.275 32.175 32.500 -0.084 0.000 0.724 291 K HN 0.576 nan 8.250 nan 0.000 0.446 292 E N -0.210 119.963 120.200 -0.044 0.000 2.107 292 E HA -0.072 4.276 4.350 -0.003 0.000 0.191 292 E C 1.887 178.493 176.600 0.010 0.000 0.982 292 E CA 0.502 56.920 56.400 0.029 0.000 0.809 292 E CB 0.116 29.829 29.700 0.022 0.000 0.756 292 E HN 0.082 nan 8.360 nan 0.000 0.459 293 R N 0.940 121.350 120.500 -0.150 0.000 2.092 293 R HA -0.098 4.240 4.340 -0.003 0.000 0.231 293 R C 2.093 178.389 176.300 -0.007 0.000 1.119 293 R CA 0.882 56.904 56.100 -0.130 0.000 0.970 293 R CB -0.297 29.808 30.300 -0.325 0.000 0.864 293 R HN 0.334 nan 8.270 nan 0.000 0.440 294 E N -0.094 120.108 120.200 0.004 0.000 2.051 294 E HA -0.207 4.141 4.350 -0.003 0.000 0.192 294 E C 1.754 178.440 176.600 0.143 0.000 0.991 294 E CA 0.926 57.359 56.400 0.055 0.000 0.799 294 E CB -0.216 29.507 29.700 0.040 0.000 0.748 294 E HN 0.464 nan 8.360 nan 0.000 0.449 295 W N 1.655 122.904 121.300 -0.086 0.000 2.374 295 W HA -0.199 4.459 4.660 -0.003 0.000 0.288 295 W C 1.931 178.373 176.519 -0.128 0.000 1.218 295 W CA 1.302 58.579 57.345 -0.114 0.000 1.245 295 W CB 0.106 29.485 29.460 -0.135 0.000 1.126 295 W HN 0.235 nan 8.180 nan 0.000 0.545 296 E N 0.485 120.672 120.200 -0.022 0.000 2.047 296 E HA -0.204 4.144 4.350 -0.003 0.000 0.191 296 E C 2.324 178.908 176.600 -0.027 0.000 0.987 296 E CA 1.580 57.962 56.400 -0.029 0.000 0.799 296 E CB -0.365 29.421 29.700 0.144 0.000 0.752 296 E HN 0.187 nan 8.360 nan 0.000 0.449 297 A N 0.448 123.269 122.820 0.002 0.000 1.902 297 A HA -0.132 4.187 4.320 -0.003 0.000 0.217 297 A C 2.399 179.959 177.584 -0.040 0.000 1.181 297 A CA 1.427 53.456 52.037 -0.013 0.000 0.623 297 A CB -0.658 18.358 19.000 0.027 0.000 0.818 297 A HN 0.230 nan 8.150 nan 0.000 0.443 298 V N 0.010 119.899 119.914 -0.041 0.000 2.295 298 V HA -0.265 3.853 4.120 -0.003 0.000 0.246 298 V C 2.665 178.661 176.094 -0.163 0.000 1.049 298 V CA 2.271 64.541 62.300 -0.050 0.000 1.024 298 V CB -0.793 31.078 31.823 0.079 0.000 0.648 298 V HN 0.523 nan 8.190 nan 0.000 0.447 299 R N -0.495 119.777 120.500 -0.379 0.000 2.075 299 R HA -0.071 4.267 4.340 -0.003 0.000 0.232 299 R C 2.317 178.608 176.300 -0.015 0.000 1.126 299 R CA 1.298 57.169 56.100 -0.382 0.000 0.963 299 R CB -0.436 29.364 30.300 -0.833 0.000 0.858 299 R HN 0.414 nan 8.270 nan 0.000 0.435 300 L N 0.324 121.599 121.223 0.088 0.000 2.042 300 L HA -0.206 4.132 4.340 -0.003 0.000 0.210 300 L C 2.844 179.777 176.870 0.105 0.000 1.076 300 L CA 1.420 56.380 54.840 0.200 0.000 0.749 300 L CB -0.438 41.636 42.059 0.026 0.000 0.893 300 L HN 0.215 nan 8.230 nan 0.000 0.432 301 R N 0.670 121.177 120.500 0.012 0.000 2.073 301 R HA -0.173 4.166 4.340 -0.003 0.000 0.234 301 R C 2.278 178.560 176.300 -0.030 0.000 1.134 301 R CA 1.500 57.591 56.100 -0.014 0.000 0.952 301 R CB -0.247 30.035 30.300 -0.029 0.000 0.850 301 R HN 0.307 nan 8.270 nan 0.000 0.433 302 L N 0.581 121.784 121.223 -0.033 0.000 2.072 302 L HA -0.129 4.210 4.340 -0.003 0.000 0.205 302 L C 2.484 179.326 176.870 -0.047 0.000 1.079 302 L CA 0.931 55.752 54.840 -0.031 0.000 0.752 302 L CB -0.351 41.686 42.059 -0.038 0.000 0.906 302 L HN 0.265 nan 8.230 nan 0.000 0.436 303 L N -0.308 120.884 121.223 -0.053 0.000 2.093 303 L HA -0.130 4.209 4.340 -0.003 0.000 0.208 303 L C 2.878 179.510 176.870 -0.397 0.000 1.085 303 L CA 0.940 55.717 54.840 -0.106 0.000 0.755 303 L CB -0.656 41.448 42.059 0.075 0.000 0.904 303 L HN 0.213 nan 8.230 nan 0.000 0.435 304 A N 0.287 122.801 122.820 -0.510 0.000 1.902 304 A HA -0.197 4.121 4.320 -0.003 0.000 0.217 304 A C 2.381 179.833 177.584 -0.219 0.000 1.181 304 A CA 1.452 53.092 52.037 -0.661 0.000 0.623 304 A CB -0.411 18.449 19.000 -0.234 0.000 0.818 304 A HN 0.319 nan 8.150 nan 0.000 0.443 305 R N -1.042 119.394 120.500 -0.107 0.000 2.115 305 R HA -0.058 4.280 4.340 -0.003 0.000 0.226 305 R C 2.468 178.834 176.300 0.109 0.000 1.100 305 R CA 1.311 57.439 56.100 0.048 0.000 0.980 305 R CB -0.262 30.143 30.300 0.175 0.000 0.875 305 R HN 0.623 nan 8.270 nan 0.000 0.445 306 R N 0.868 121.380 120.500 0.019 0.000 2.073 306 R HA -0.098 4.240 4.340 -0.003 0.000 0.234 306 R C 2.095 178.405 176.300 0.017 0.000 1.134 306 R CA 1.621 57.741 56.100 0.032 0.000 0.952 306 R CB -0.233 30.065 30.300 -0.003 0.000 0.850 306 R HN 0.203 nan 8.270 nan 0.000 0.433 307 A N -0.190 122.611 122.820 -0.032 0.000 1.930 307 A HA -0.181 4.137 4.320 -0.003 0.000 0.217 307 A C 2.005 179.616 177.584 0.045 0.000 1.175 307 A CA 1.160 53.215 52.037 0.029 0.000 0.627 307 A CB -0.790 18.228 19.000 0.030 0.000 0.815 307 A HN 0.601 nan 8.150 nan 0.000 0.443 308 Y N -0.887 119.269 120.300 -0.240 0.000 2.133 308 Y HA -0.129 4.420 4.550 -0.003 0.000 0.287 308 Y C 1.698 177.272 175.900 -0.543 0.000 1.134 308 Y CA 2.034 59.718 58.100 -0.692 0.000 1.133 308 Y CB -0.220 37.502 38.460 -1.232 0.000 0.987 308 Y HN 0.271 nan 8.280 nan 0.000 0.502 309 F N -0.312 119.610 119.950 -0.047 0.000 2.754 309 F HA 0.297 4.822 4.527 -0.002 0.000 0.297 309 F C 1.720 177.470 175.800 -0.085 0.000 1.122 309 F CA 0.633 58.582 58.000 -0.086 0.000 1.400 309 F CB -0.275 38.726 39.000 0.002 0.000 1.117 309 F HN 0.102 nan 8.300 nan 0.000 0.587 310 G N 1.800 110.653 108.800 0.088 0.000 2.289 310 G HA2 -0.269 3.690 3.960 -0.003 0.000 0.280 310 G HA3 -0.269 3.690 3.960 -0.003 0.000 0.280 310 G C -0.007 174.928 174.900 0.057 0.000 1.089 310 G CA -0.293 44.834 45.100 0.045 0.000 0.939 310 G HN 0.258 nan 8.290 nan 0.000 0.499 311 L N -0.209 121.059 121.223 0.075 0.000 2.436 311 L HA 0.344 4.683 4.340 -0.003 0.000 0.265 311 L C -1.386 175.498 176.870 0.023 0.000 1.168 311 L CA -1.984 52.884 54.840 0.047 0.000 0.815 311 L CB 0.274 42.366 42.059 0.055 0.000 1.109 311 L HN -0.025 nan 8.230 nan 0.000 0.462 312 P HA -0.002 nan 4.420 nan 0.000 0.261 312 P C 0.256 177.561 177.300 0.009 0.000 1.183 312 P CA 0.199 63.303 63.100 0.007 0.000 0.761 312 P CB 0.477 32.178 31.700 0.001 0.000 0.785 313 R N 4.227 124.733 120.500 0.009 0.000 2.083 313 R HA -0.217 4.121 4.340 -0.003 0.000 0.237 313 R C 1.882 178.189 176.300 0.012 0.000 1.137 313 R CA 2.028 58.134 56.100 0.011 0.000 0.951 313 R CB -0.686 29.620 30.300 0.009 0.000 0.851 313 R HN 0.538 nan 8.270 nan 0.000 0.434 314 A N 0.367 123.192 122.820 0.010 0.000 1.908 314 A HA -0.256 4.063 4.320 -0.003 0.000 0.218 314 A C 2.069 179.660 177.584 0.012 0.000 1.181 314 A CA 1.713 53.757 52.037 0.011 0.000 0.627 314 A CB -0.603 18.401 19.000 0.007 0.000 0.818 314 A HN 0.464 nan 8.150 nan 0.000 0.445 315 Q N -0.261 119.544 119.800 0.008 0.000 2.079 315 Q HA -0.086 4.252 4.340 -0.003 0.000 0.200 315 Q C 1.872 177.879 176.000 0.013 0.000 0.974 315 Q CA 2.067 57.875 55.803 0.008 0.000 0.840 315 Q CB -0.443 28.296 28.738 0.001 0.000 0.898 315 Q HN 0.359 nan 8.270 nan 0.000 0.430 316 V N 0.574 120.496 119.914 0.013 0.000 2.307 316 V HA -0.214 3.904 4.120 -0.003 0.000 0.245 316 V C 2.252 178.358 176.094 0.021 0.000 1.045 316 V CA 2.074 64.383 62.300 0.015 0.000 1.024 316 V CB -0.712 31.118 31.823 0.012 0.000 0.651 316 V HN 0.518 nan 8.190 nan 0.000 0.449 317 E N 0.356 120.570 120.200 0.024 0.000 2.097 317 E HA -0.326 4.023 4.350 -0.003 0.000 0.196 317 E C 2.241 178.868 176.600 0.045 0.000 1.000 317 E CA 1.852 58.271 56.400 0.033 0.000 0.804 317 E CB -0.136 29.582 29.700 0.030 0.000 0.740 317 E HN 0.730 nan 8.360 nan 0.000 0.454 318 E N 0.062 120.286 120.200 0.039 0.000 2.153 318 E HA -0.207 4.141 4.350 -0.003 0.000 0.194 318 E C 1.522 178.163 176.600 0.067 0.000 0.988 318 E CA 1.168 57.595 56.400 0.045 0.000 0.811 318 E CB 0.096 29.813 29.700 0.028 0.000 0.746 318 E HN 0.350 nan 8.360 nan 0.000 0.466 319 E N -0.371 119.867 120.200 0.065 0.000 2.442 319 E HA -0.057 4.291 4.350 -0.003 0.000 0.195 319 E C 1.399 178.086 176.600 0.144 0.000 1.030 319 E CA 0.683 57.138 56.400 0.091 0.000 0.869 319 E CB 0.873 30.604 29.700 0.052 0.000 0.857 319 E HN 0.266 nan 8.360 nan 0.000 0.505 320 V N -2.437 117.534 119.914 0.094 0.000 3.276 320 V HA 0.271 4.389 4.120 -0.003 0.000 0.319 320 V C 0.200 176.386 176.094 0.153 0.000 1.427 320 V CA -0.482 61.814 62.300 -0.007 0.000 1.102 320 V CB 0.428 32.170 31.823 -0.136 0.000 1.020 320 V HN -0.193 nan 8.190 nan 0.000 0.456 321 V N 0.061 120.129 119.914 0.258 0.000 2.656 321 V HA 0.490 4.608 4.120 -0.003 0.000 0.307 321 V C -0.531 175.689 176.094 0.211 0.000 1.051 321 V CA -0.384 62.063 62.300 0.245 0.000 0.893 321 V CB 1.666 33.562 31.823 0.123 0.000 0.999 321 V HN 0.393 nan 8.190 nan 0.000 0.426 322 c N 5.522 124.212 118.600 0.149 0.000 2.293 322 c HA 0.627 5.196 4.570 -0.003 0.000 0.323 322 c C -1.268 172.806 174.090 -0.027 0.000 1.240 322 c CA -0.989 55.324 56.329 -0.028 0.000 1.497 322 c CB 0.490 42.854 42.510 -0.244 0.000 2.171 322 c HN 0.840 nan 8.230 nan 0.000 0.465 323 P HA 0.000 nan 4.420 nan 0.000 0.216 323 P CA 0.000 63.086 63.100 -0.024 0.000 0.800 323 P CB 0.000 31.688 31.700 -0.020 0.000 0.726