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 2v69_1_E DATA FIRST_RESID 11 DATA SEQUENCE AGFKAGVKDY RLTYYTPDYV VRDTDILAAF RMTPQPGVPP EECGAAVAAE DATA SEQUENCE SSTGTWTTVW TDGLTSLDRY KGRCYDIEPV PGEDNQYIAY VAYXIDLFEE DATA SEQUENCE GSVTNMFTSI VGNVFGFKAL RALRLEDLRI PPAYVKTFVG XPHGIQVERD DATA SEQUENCE KLNKYGRGLL GCTIKPKLGL SAKNYGRAVY ECLRGGLDFT XDDENVNSQP DATA SEQUENCE FMRWRDRFLF VAEAIYKAQA ETGEVKGHYL NATAGTCEEM MKRAVXAKEL DATA SEQUENCE GVPIIMHDYL TGGFTANTSL AIYCRDNGLL LHIHRAMHAV IDRQRNHGIH DATA SEQUENCE FRVLAKALRM SGGDHLHSGT VVGKLEGERE VTLGFVDLMR DDYVEKDRSR DATA SEQUENCE GIYFTQDWXS MPGVMPVASG GIHVWHMPAL VEIFGDDACL QFGGGTLGHP DATA SEQUENCE WGNAPGAAAN RVALEACTQA RNEGRDLARE GGDVIRSACK WSPELAAACE DATA SEQUENCE VWKEIKFEF 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 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.613 177.584 0.049 0.000 1.274 11 A CA 0.000 52.053 52.037 0.027 0.000 0.836 11 A CB 0.000 19.013 19.000 0.022 0.000 0.831 12 G N 0.037 108.872 108.800 0.058 0.000 2.795 12 G HA2 0.629 4.589 3.960 0.001 0.000 0.267 12 G HA3 0.629 4.589 3.960 0.001 0.000 0.267 12 G C -0.576 174.423 174.900 0.165 0.000 1.362 12 G CA -0.816 44.344 45.100 0.099 0.000 1.048 12 G HN 1.119 nan 8.290 nan 0.000 0.547 13 F N 1.258 121.226 119.950 0.029 0.000 2.421 13 F HA 0.535 5.063 4.527 0.001 0.000 0.358 13 F C 0.137 175.951 175.800 0.022 0.000 1.115 13 F CA -1.263 56.765 58.000 0.046 0.000 1.160 13 F CB 1.022 40.071 39.000 0.081 0.000 1.123 13 F HN -0.002 nan 8.300 nan 0.000 0.508 14 K N 6.424 126.634 120.400 -0.317 0.000 2.473 14 K HA 0.499 4.819 4.320 0.001 0.000 0.246 14 K C -0.398 175.861 176.600 -0.568 0.000 1.011 14 K CA -0.375 55.654 56.287 -0.429 0.000 0.984 14 K CB 0.966 33.367 32.500 -0.165 0.000 1.250 14 K HN 0.809 nan 8.250 nan 0.000 0.454 15 A N 1.802 124.078 122.820 -0.906 0.000 2.536 15 A HA 0.467 4.787 4.320 0.001 0.000 0.234 15 A C 0.638 178.093 177.584 -0.215 0.000 1.076 15 A CA 1.084 52.820 52.037 -0.501 0.000 0.769 15 A CB -0.220 18.557 19.000 -0.372 0.000 1.020 15 A HN 0.929 nan 8.150 nan 0.000 0.508 16 G N -1.246 107.481 108.800 -0.121 0.000 2.570 16 G HA2 0.258 4.219 3.960 0.001 0.000 0.686 16 G HA3 0.258 4.219 3.960 0.001 0.000 0.686 16 G C -0.612 174.233 174.900 -0.091 0.000 1.257 16 G CA -0.533 44.515 45.100 -0.085 0.000 0.846 16 G HN 1.581 nan 8.290 nan 0.000 0.627 17 V N 1.744 121.630 119.914 -0.047 0.000 2.715 17 V HA 0.617 4.738 4.120 0.001 0.000 0.299 17 V C 0.836 176.900 176.094 -0.050 0.000 1.054 17 V CA 1.142 63.420 62.300 -0.038 0.000 1.077 17 V CB 1.182 33.051 31.823 0.077 0.000 0.972 17 V HN 1.168 nan 8.190 nan 0.000 0.484 18 K N 1.479 121.826 120.400 -0.088 0.000 2.522 18 K HA 0.539 4.860 4.320 0.001 0.000 0.275 18 K C -1.600 174.921 176.600 -0.131 0.000 1.006 18 K CA -1.060 55.182 56.287 -0.076 0.000 0.890 18 K CB 1.605 34.074 32.500 -0.051 0.000 1.475 18 K HN 0.339 nan 8.250 nan 0.000 0.441 19 D N 0.907 121.263 120.400 -0.073 0.000 2.414 19 D HA 0.087 4.727 4.640 0.001 0.000 0.242 19 D C 0.493 176.780 176.300 -0.020 0.000 1.129 19 D CA 0.092 54.057 54.000 -0.058 0.000 0.885 19 D CB 0.252 41.057 40.800 0.009 0.000 1.198 19 D HN 0.424 nan 8.370 nan 0.000 0.437 20 Y N 1.413 121.768 120.300 0.091 0.000 2.224 20 Y HA -0.194 4.357 4.550 0.001 0.000 0.289 20 Y C 2.338 178.348 175.900 0.182 0.000 1.146 20 Y CA 1.165 59.359 58.100 0.157 0.000 1.182 20 Y CB -0.300 38.189 38.460 0.049 0.000 0.983 20 Y HN 0.458 nan 8.280 nan 0.000 0.524 21 R N 0.408 121.057 120.500 0.248 0.000 2.159 21 R HA -0.154 4.186 4.340 0.001 0.000 0.237 21 R C 1.778 178.194 176.300 0.193 0.000 1.131 21 R CA 1.764 57.988 56.100 0.207 0.000 0.982 21 R CB -1.207 29.149 30.300 0.093 0.000 0.868 21 R HN 0.332 nan 8.270 nan 0.000 0.453 22 L N 0.835 122.134 121.223 0.128 0.000 2.042 22 L HA -0.141 4.199 4.340 0.001 0.000 0.210 22 L C 1.851 178.736 176.870 0.024 0.000 1.076 22 L CA 1.923 56.804 54.840 0.069 0.000 0.749 22 L CB -0.530 41.551 42.059 0.037 0.000 0.893 22 L HN 0.339 nan 8.230 nan 0.000 0.432 23 T N -3.116 111.442 114.554 0.007 0.000 3.018 23 T HA 0.031 4.382 4.350 0.001 0.000 0.246 23 T C 1.077 175.579 174.700 -0.330 0.000 1.026 23 T CA 0.407 62.369 62.100 -0.230 0.000 1.081 23 T CB 0.042 68.663 68.868 -0.411 0.000 0.970 23 T HN 0.158 nan 8.240 nan 0.000 0.475 24 Y N -0.323 120.025 120.300 0.080 0.000 2.467 24 Y HA 0.414 4.965 4.550 0.001 0.000 0.250 24 Y C 0.019 175.974 175.900 0.092 0.000 1.155 24 Y CA -1.271 56.857 58.100 0.047 0.000 1.249 24 Y CB 0.387 38.867 38.460 0.033 0.000 1.146 24 Y HN 0.164 nan 8.280 nan 0.000 0.524 25 Y N 2.197 122.547 120.300 0.084 0.000 2.353 25 Y HA 0.442 4.993 4.550 0.001 0.000 0.340 25 Y C -0.084 175.836 175.900 0.033 0.000 0.972 25 Y CA -1.460 56.669 58.100 0.048 0.000 1.157 25 Y CB 0.806 39.289 38.460 0.037 0.000 1.157 25 Y HN 0.036 nan 8.280 nan 0.000 0.495 26 T N 5.690 120.047 114.554 -0.328 0.000 3.305 26 T HA 0.268 4.619 4.350 0.001 0.000 0.348 26 T C -2.471 172.067 174.700 -0.269 0.000 1.394 26 T CA -1.675 60.257 62.100 -0.280 0.000 1.549 26 T CB 1.122 69.916 68.868 -0.123 0.000 0.962 26 T HN 0.431 nan 8.240 nan 0.000 0.609 27 P HA 0.060 nan 4.420 nan 0.000 0.230 27 P C 0.454 177.721 177.300 -0.055 0.000 1.158 27 P CA 0.674 63.604 63.100 -0.284 0.000 0.769 27 P CB 0.250 31.737 31.700 -0.356 0.000 0.807 28 D N -1.860 118.510 120.400 -0.049 0.000 2.339 28 D HA -0.024 4.617 4.640 0.001 0.000 0.217 28 D C 0.428 176.752 176.300 0.039 0.000 1.050 28 D CA -0.114 53.885 54.000 -0.002 0.000 0.856 28 D CB -0.399 40.389 40.800 -0.019 0.000 0.922 28 D HN 0.198 nan 8.370 nan 0.000 0.518 29 Y N 1.927 122.194 120.300 -0.055 0.000 2.526 29 Y HA 0.094 4.645 4.550 0.001 0.000 0.330 29 Y C -0.135 175.711 175.900 -0.090 0.000 1.156 29 Y CA -0.334 57.723 58.100 -0.071 0.000 1.419 29 Y CB 0.610 39.024 38.460 -0.076 0.000 1.250 29 Y HN -0.341 nan 8.280 nan 0.000 0.540 30 V N 8.422 127.906 119.914 -0.718 0.000 2.348 30 V HA 0.195 4.315 4.120 0.001 0.000 0.270 30 V C -0.119 175.362 176.094 -1.021 0.000 1.037 30 V CA -0.889 61.031 62.300 -0.634 0.000 0.872 30 V CB 0.288 31.884 31.823 -0.378 0.000 1.002 30 V HN 0.735 nan 8.190 nan 0.000 0.464 31 V N 3.931 123.402 119.914 -0.740 0.000 2.694 31 V HA 0.320 4.441 4.120 0.001 0.000 0.306 31 V C 0.498 176.390 176.094 -0.337 0.000 1.054 31 V CA -0.378 61.596 62.300 -0.543 0.000 1.161 31 V CB -0.093 31.496 31.823 -0.390 0.000 0.916 31 V HN 0.869 nan 8.190 nan 0.000 0.490 32 R N 2.762 123.144 120.500 -0.197 0.000 2.532 32 R HA 0.373 4.714 4.340 0.001 0.000 0.272 32 R C 0.186 176.446 176.300 -0.066 0.000 1.032 32 R CA -0.696 55.338 56.100 -0.110 0.000 1.089 32 R CB 0.615 30.890 30.300 -0.043 0.000 1.098 32 R HN 0.715 nan 8.270 nan 0.000 0.526 33 D N 0.509 120.881 120.400 -0.047 0.000 2.350 33 D HA -0.090 4.551 4.640 0.001 0.000 0.216 33 D C 1.306 177.594 176.300 -0.020 0.000 0.968 33 D CA 1.400 55.380 54.000 -0.032 0.000 0.894 33 D CB 0.182 40.972 40.800 -0.018 0.000 0.909 33 D HN 0.656 nan 8.370 nan 0.000 0.520 34 T N -3.376 111.175 114.554 -0.006 0.000 3.044 34 T HA 0.085 4.436 4.350 0.001 0.000 0.260 34 T C 0.425 175.136 174.700 0.018 0.000 1.019 34 T CA -0.593 61.517 62.100 0.016 0.000 0.921 34 T CB 0.519 69.410 68.868 0.039 0.000 1.053 34 T HN -0.257 nan 8.240 nan 0.000 0.533 35 D N 1.812 122.220 120.400 0.014 0.000 2.414 35 D HA 0.324 4.964 4.640 0.001 0.000 0.242 35 D C -0.132 176.161 176.300 -0.012 0.000 1.129 35 D CA -0.297 53.729 54.000 0.043 0.000 0.885 35 D CB 0.671 41.502 40.800 0.053 0.000 1.198 35 D HN 0.201 nan 8.370 nan 0.000 0.437 36 I N 1.948 122.535 120.570 0.028 0.000 2.428 36 I HA 0.155 4.325 4.170 0.001 0.000 0.289 36 I C 0.020 176.166 176.117 0.048 0.000 1.019 36 I CA -0.133 61.115 61.300 -0.087 0.000 1.351 36 I CB 0.604 38.419 38.000 -0.309 0.000 1.412 36 I HN 0.064 nan 8.210 nan 0.000 0.513 37 L N 6.092 127.217 121.223 -0.163 0.000 2.346 37 L HA 0.860 5.201 4.340 0.001 0.000 0.276 37 L C -0.226 176.500 176.870 -0.241 0.000 1.006 37 L CA -0.797 53.947 54.840 -0.159 0.000 0.817 37 L CB 1.636 43.434 42.059 -0.435 0.000 1.272 37 L HN 0.646 nan 8.230 nan 0.000 0.421 38 A N 2.200 125.098 122.820 0.130 0.000 2.355 38 A HA 0.863 5.184 4.320 0.001 0.000 0.317 38 A C -0.448 177.219 177.584 0.138 0.000 1.094 38 A CA -0.537 51.529 52.037 0.048 0.000 0.764 38 A CB 1.632 20.662 19.000 0.050 0.000 1.230 38 A HN 0.762 nan 8.150 nan 0.000 0.448 39 A N 2.299 125.093 122.820 -0.042 0.000 2.322 39 A HA 0.675 4.996 4.320 0.001 0.000 0.327 39 A C -0.934 176.321 177.584 -0.548 0.000 1.394 39 A CA -0.296 51.495 52.037 -0.411 0.000 0.921 39 A CB -0.440 18.137 19.000 -0.706 0.000 1.153 39 A HN 0.600 nan 8.150 nan 0.000 0.523 40 F N 1.108 120.872 119.950 -0.310 0.000 2.394 40 F HA 0.429 4.956 4.527 0.001 0.000 0.340 40 F C 1.171 176.823 175.800 -0.247 0.000 1.105 40 F CA -0.233 57.615 58.000 -0.253 0.000 1.124 40 F CB 1.380 40.245 39.000 -0.225 0.000 1.145 40 F HN 0.539 nan 8.300 nan 0.000 0.505 41 R N 4.967 125.465 120.500 -0.002 0.000 2.408 41 R HA 0.308 4.649 4.340 0.001 0.000 0.308 41 R C -0.600 175.718 176.300 0.031 0.000 1.210 41 R CA -0.319 55.783 56.100 0.003 0.000 1.115 41 R CB 0.267 30.569 30.300 0.004 0.000 1.127 41 R HN 0.777 nan 8.270 nan 0.000 0.523 42 M N 2.727 122.351 119.600 0.039 0.000 2.216 42 M HA 0.172 4.652 4.480 0.001 0.000 0.356 42 M C -0.797 175.559 176.300 0.094 0.000 1.205 42 M CA 0.458 55.767 55.300 0.016 0.000 1.122 42 M CB 1.437 34.024 32.600 -0.021 0.000 1.571 42 M HN 0.334 nan 8.290 nan 0.000 0.464 43 T N 6.174 120.766 114.554 0.062 0.000 3.133 43 T HA 0.411 4.761 4.350 0.001 0.000 0.368 43 T C -2.605 172.130 174.700 0.058 0.000 1.190 43 T CA -1.030 61.124 62.100 0.090 0.000 1.282 43 T CB 0.694 69.605 68.868 0.073 0.000 1.042 43 T HN 0.420 nan 8.240 nan 0.000 0.536 44 P HA 0.185 nan 4.420 nan 0.000 0.272 44 P C 0.056 177.374 177.300 0.029 0.000 1.240 44 P CA -0.625 62.481 63.100 0.010 0.000 0.791 44 P CB 0.587 32.267 31.700 -0.033 0.000 0.978 45 Q N 1.409 121.220 119.800 0.019 0.000 2.421 45 Q HA 0.161 4.502 4.340 0.001 0.000 0.255 45 Q C -1.908 174.105 176.000 0.022 0.000 1.013 45 Q CA -1.463 54.354 55.803 0.023 0.000 0.895 45 Q CB -0.705 28.047 28.738 0.023 0.000 1.271 45 Q HN 0.360 nan 8.270 nan 0.000 0.460 46 P HA -0.066 nan 4.420 nan 0.000 0.261 46 P C 0.482 177.792 177.300 0.016 0.000 1.183 46 P CA 0.970 64.084 63.100 0.023 0.000 0.761 46 P CB 0.213 31.925 31.700 0.020 0.000 0.785 47 G N 1.802 110.610 108.800 0.013 0.000 2.159 47 G HA2 -0.208 3.753 3.960 0.001 0.000 0.256 47 G HA3 -0.208 3.753 3.960 0.001 0.000 0.256 47 G C -0.047 174.850 174.900 -0.005 0.000 0.977 47 G CA -0.141 44.962 45.100 0.005 0.000 0.652 47 G HN 0.535 nan 8.290 nan 0.000 0.531 48 V N 3.392 123.300 119.914 -0.011 0.000 2.334 48 V HA 0.394 4.515 4.120 0.001 0.000 0.267 48 V C -1.374 174.674 176.094 -0.076 0.000 1.040 48 V CA -1.493 60.789 62.300 -0.030 0.000 0.866 48 V CB 1.263 33.074 31.823 -0.020 0.000 1.019 48 V HN 0.230 nan 8.190 nan 0.000 0.468 49 P HA 0.121 nan 4.420 nan 0.000 0.263 49 P C -2.036 175.115 177.300 -0.248 0.000 1.195 49 P CA -1.240 61.771 63.100 -0.148 0.000 0.762 49 P CB 0.503 32.129 31.700 -0.123 0.000 0.799 50 P HA -0.243 nan 4.420 nan 0.000 0.218 50 P C 1.196 178.216 177.300 -0.467 0.000 1.154 50 P CA 1.716 64.463 63.100 -0.588 0.000 0.872 50 P CB 0.091 31.165 31.700 -1.044 0.000 0.790 51 E N -0.233 119.676 120.200 -0.486 0.000 2.058 51 E HA -0.214 4.136 4.350 0.001 0.000 0.194 51 E C 2.107 178.437 176.600 -0.451 0.000 0.997 51 E CA 1.492 57.467 56.400 -0.709 0.000 0.801 51 E CB -0.885 28.286 29.700 -0.882 0.000 0.746 51 E HN 0.337 nan 8.360 nan 0.000 0.450 52 E N 0.097 120.136 120.200 -0.269 0.000 2.106 52 E HA -0.151 4.199 4.350 0.001 0.000 0.192 52 E C 1.910 178.438 176.600 -0.121 0.000 0.984 52 E CA 1.097 57.429 56.400 -0.112 0.000 0.806 52 E CB -0.564 29.109 29.700 -0.046 0.000 0.750 52 E HN 0.304 nan 8.360 nan 0.000 0.458 53 C N -0.308 118.878 119.300 -0.189 0.000 2.432 53 C HA 0.029 4.489 4.460 0.001 0.000 0.277 53 C C 2.687 177.498 174.990 -0.299 0.000 1.249 53 C CA 1.411 60.292 59.018 -0.227 0.000 1.725 53 C CB -1.422 26.188 27.740 -0.217 0.000 2.028 53 C HN 0.673 nan 8.230 nan 0.000 0.477 54 G N -0.406 108.230 108.800 -0.274 0.000 2.432 54 G HA2 -0.018 3.943 3.960 0.001 0.000 0.219 54 G HA3 -0.018 3.943 3.960 0.001 0.000 0.219 54 G C 1.868 176.641 174.900 -0.212 0.000 1.135 54 G CA 1.004 45.959 45.100 -0.242 0.000 0.767 54 G HN 0.701 nan 8.290 nan 0.000 0.550 55 A N 0.890 123.621 122.820 -0.148 0.000 1.968 55 A HA 0.449 4.769 4.320 0.001 0.000 0.217 55 A C 2.745 180.130 177.584 -0.332 0.000 1.169 55 A CA 1.764 53.769 52.037 -0.054 0.000 0.638 55 A CB -0.530 18.559 19.000 0.148 0.000 0.812 55 A HN 0.627 nan 8.150 nan 0.000 0.446 56 A N -0.248 122.258 122.820 -0.522 0.000 1.858 56 A HA -0.024 4.297 4.320 0.001 0.000 0.216 56 A C 2.215 179.191 177.584 -1.013 0.000 1.190 56 A CA 1.818 53.192 52.037 -1.106 0.000 0.617 56 A CB -1.075 17.408 19.000 -0.861 0.000 0.827 56 A HN 0.352 nan 8.150 nan 0.000 0.443 57 V N -0.011 119.445 119.914 -0.762 0.000 2.231 57 V HA -0.322 3.799 4.120 0.001 0.000 0.248 57 V C 3.105 178.894 176.094 -0.507 0.000 1.054 57 V CA 2.301 64.180 62.300 -0.701 0.000 1.015 57 V CB -1.381 29.965 31.823 -0.797 0.000 0.638 57 V HN 0.646 nan 8.190 nan 0.000 0.444 58 A N -0.280 122.300 122.820 -0.400 0.000 1.917 58 A HA -0.199 4.121 4.320 0.001 0.000 0.219 58 A C 2.402 179.776 177.584 -0.351 0.000 1.182 58 A CA 2.538 54.413 52.037 -0.270 0.000 0.633 58 A CB -0.881 18.029 19.000 -0.150 0.000 0.819 58 A HN 0.637 nan 8.150 nan 0.000 0.448 59 A N -0.669 121.737 122.820 -0.690 0.000 1.858 59 A HA -0.130 4.191 4.320 0.001 0.000 0.216 59 A C 1.854 179.086 177.584 -0.587 0.000 1.190 59 A CA 1.538 52.880 52.037 -1.160 0.000 0.617 59 A CB -0.388 17.754 19.000 -1.430 0.000 0.827 59 A HN 0.477 nan 8.150 nan 0.000 0.443 60 E N 0.241 120.137 120.200 -0.508 0.000 2.489 60 E HA -0.004 4.347 4.350 0.001 0.000 0.193 60 E C 1.047 177.591 176.600 -0.094 0.000 1.057 60 E CA 0.749 57.006 56.400 -0.238 0.000 0.866 60 E CB 0.008 29.567 29.700 -0.236 0.000 0.916 60 E HN 0.675 nan 8.360 nan 0.000 0.500 61 S N -0.940 114.712 115.700 -0.080 0.000 2.602 61 S HA 0.166 4.636 4.470 0.001 0.000 0.240 61 S C 1.116 175.800 174.600 0.140 0.000 0.992 61 S CA 0.185 58.429 58.200 0.073 0.000 0.971 61 S CB 0.297 63.608 63.200 0.186 0.000 0.855 61 S HN 0.123 nan 8.310 nan 0.000 0.481 62 S N 1.168 116.904 115.700 0.060 0.000 5.026 62 S HA 0.174 4.644 4.470 0.001 0.000 0.144 62 S C 1.218 175.837 174.600 0.031 0.000 1.017 62 S CA 0.548 58.800 58.200 0.086 0.000 1.275 62 S CB -0.259 63.047 63.200 0.176 0.000 2.035 62 S HN 0.546 nan 8.310 nan 0.000 0.769 63 T N -0.651 113.943 114.554 0.066 0.000 2.975 63 T HA 0.491 4.842 4.350 0.001 0.000 0.261 63 T C 0.751 175.508 174.700 0.096 0.000 0.984 63 T CA 0.395 62.548 62.100 0.088 0.000 0.911 63 T CB 0.227 69.196 68.868 0.169 0.000 1.127 63 T HN 0.787 nan 8.240 nan 0.000 0.514 64 G N 0.424 109.233 108.800 0.015 0.000 2.389 64 G HA2 0.545 4.506 3.960 0.001 0.000 0.328 64 G HA3 0.545 4.506 3.960 0.001 0.000 0.328 64 G C -0.742 174.209 174.900 0.086 0.000 1.133 64 G CA -0.288 44.840 45.100 0.046 0.000 0.891 64 G HN 0.234 nan 8.290 nan 0.000 0.485 65 T N 0.010 114.657 114.554 0.154 0.000 2.768 65 T HA 0.436 4.787 4.350 0.001 0.000 0.268 65 T C 1.041 175.915 174.700 0.290 0.000 0.969 65 T CA -0.585 61.646 62.100 0.219 0.000 1.008 65 T CB 0.749 69.682 68.868 0.108 0.000 1.371 65 T HN 0.659 nan 8.240 nan 0.000 0.587 66 W N 0.492 121.916 121.300 0.207 0.000 2.584 66 W HA 0.249 4.910 4.660 0.001 0.000 0.264 66 W C 0.485 177.008 176.519 0.006 0.000 1.264 66 W CA 0.554 57.988 57.345 0.147 0.000 1.306 66 W CB -1.057 28.490 29.460 0.144 0.000 1.110 66 W HN 0.553 nan 8.180 nan 0.000 0.606 67 T N 1.054 115.089 114.554 -0.864 0.000 2.907 67 T HA 0.387 4.738 4.350 0.001 0.000 0.290 67 T C -0.414 174.061 174.700 -0.376 0.000 1.066 67 T CA -0.306 61.363 62.100 -0.718 0.000 1.012 67 T CB 1.925 70.053 68.868 -1.233 0.000 1.184 67 T HN -0.190 nan 8.240 nan 0.000 0.522 68 T N 2.589 117.038 114.554 -0.174 0.000 2.814 68 T HA 0.474 4.825 4.350 0.001 0.000 0.297 68 T C 0.175 174.950 174.700 0.126 0.000 0.956 68 T CA -0.442 61.665 62.100 0.012 0.000 1.123 68 T CB 0.218 69.138 68.868 0.087 0.000 0.902 68 T HN 0.674 nan 8.240 nan 0.000 0.528 69 V N 2.928 122.864 119.914 0.036 0.000 2.630 69 V HA 0.501 4.622 4.120 0.001 0.000 0.305 69 V C 1.159 177.109 176.094 -0.240 0.000 1.046 69 V CA -1.115 61.127 62.300 -0.097 0.000 0.934 69 V CB 1.278 32.961 31.823 -0.233 0.000 1.003 69 V HN 1.046 nan 8.190 nan 0.000 0.451 70 W N 2.159 123.040 121.300 -0.698 0.000 2.519 70 W HA -0.047 4.613 4.660 0.001 0.000 0.266 70 W C 1.354 177.615 176.519 -0.431 0.000 1.253 70 W CA 1.115 57.842 57.345 -1.030 0.000 1.274 70 W CB -1.533 26.992 29.460 -1.557 0.000 1.114 70 W HN 0.732 nan 8.180 nan 0.000 0.596 71 T N -1.106 112.882 114.554 -0.942 0.000 3.051 71 T HA -0.175 4.176 4.350 0.001 0.000 0.269 71 T C 1.081 175.584 174.700 -0.328 0.000 1.127 71 T CA 1.388 62.979 62.100 -0.849 0.000 1.107 71 T CB -0.549 67.698 68.868 -1.034 0.000 0.898 71 T HN -0.104 nan 8.240 nan 0.000 0.517 72 D N 2.104 122.376 120.400 -0.215 0.000 2.158 72 D HA -0.070 4.571 4.640 0.001 0.000 0.197 72 D C 2.352 178.638 176.300 -0.022 0.000 0.995 72 D CA 1.469 55.422 54.000 -0.078 0.000 0.846 72 D CB -0.903 39.885 40.800 -0.021 0.000 0.941 72 D HN 0.588 nan 8.370 nan 0.000 0.456 73 G N 0.339 109.145 108.800 0.009 0.000 2.432 73 G HA2 -0.187 3.774 3.960 0.001 0.000 0.219 73 G HA3 -0.187 3.774 3.960 0.001 0.000 0.219 73 G C 1.659 176.587 174.900 0.047 0.000 1.135 73 G CA 0.179 45.311 45.100 0.054 0.000 0.767 73 G HN 0.298 nan 8.290 nan 0.000 0.550 74 L N -0.149 121.091 121.223 0.027 0.000 2.376 74 L HA 0.139 4.480 4.340 0.001 0.000 0.219 74 L C 1.618 178.503 176.870 0.024 0.000 1.133 74 L CA 0.561 55.419 54.840 0.029 0.000 0.816 74 L CB -0.153 41.908 42.059 0.002 0.000 0.933 74 L HN 0.237 nan 8.230 nan 0.000 0.449 75 T N -2.420 112.150 114.554 0.026 0.000 2.742 75 T HA 0.302 4.653 4.350 0.001 0.000 0.282 75 T C -0.518 174.235 174.700 0.089 0.000 1.025 75 T CA -0.521 61.625 62.100 0.077 0.000 1.020 75 T CB 1.977 70.891 68.868 0.076 0.000 1.317 75 T HN -0.138 nan 8.240 nan 0.000 0.538 76 S N 2.143 117.926 115.700 0.138 0.000 2.488 76 S HA 0.312 4.783 4.470 0.001 0.000 0.310 76 S C 1.085 175.722 174.600 0.062 0.000 1.093 76 S CA -0.724 57.506 58.200 0.050 0.000 1.129 76 S CB 0.005 63.186 63.200 -0.031 0.000 0.989 76 S HN 0.578 nan 8.310 nan 0.000 0.479 77 L N 4.250 125.502 121.223 0.047 0.000 2.189 77 L HA -0.041 4.299 4.340 0.001 0.000 0.214 77 L C 1.670 178.516 176.870 -0.039 0.000 1.097 77 L CA 1.863 56.721 54.840 0.032 0.000 0.764 77 L CB -0.652 41.395 42.059 -0.021 0.000 0.900 77 L HN 0.595 nan 8.230 nan 0.000 0.436 78 D N -1.039 119.315 120.400 -0.076 0.000 2.123 78 D HA -0.224 4.416 4.640 0.001 0.000 0.196 78 D C 2.335 178.548 176.300 -0.145 0.000 0.992 78 D CA 1.150 55.084 54.000 -0.110 0.000 0.833 78 D CB -0.110 40.637 40.800 -0.088 0.000 0.954 78 D HN 0.278 nan 8.370 nan 0.000 0.455 79 R N -0.919 119.447 120.500 -0.222 0.000 2.115 79 R HA -0.132 4.209 4.340 0.001 0.000 0.230 79 R C 1.243 177.293 176.300 -0.417 0.000 1.111 79 R CA 1.176 57.029 56.100 -0.411 0.000 0.976 79 R CB 0.004 29.870 30.300 -0.723 0.000 0.870 79 R HN 0.257 nan 8.270 nan 0.000 0.445 80 Y N 0.082 120.363 120.300 -0.033 0.000 2.444 80 Y HA 0.166 4.716 4.550 0.001 0.000 0.252 80 Y C 0.025 175.917 175.900 -0.013 0.000 1.091 80 Y CA -0.379 57.705 58.100 -0.026 0.000 1.276 80 Y CB 0.296 38.740 38.460 -0.027 0.000 1.170 80 Y HN -0.056 nan 8.280 nan 0.000 0.517 81 K N 1.008 121.464 120.400 0.093 0.000 2.326 81 K HA 0.411 4.732 4.320 0.001 0.000 0.275 81 K C 0.625 177.261 176.600 0.060 0.000 1.018 81 K CA -0.139 56.221 56.287 0.122 0.000 0.962 81 K CB 0.784 33.292 32.500 0.013 0.000 0.953 81 K HN 0.118 nan 8.250 nan 0.000 0.475 82 G N 2.601 111.472 108.800 0.118 0.000 2.491 82 G HA2 0.158 4.118 3.960 0.001 0.000 0.242 82 G HA3 0.158 4.118 3.960 0.001 0.000 0.242 82 G C -0.755 174.111 174.900 -0.057 0.000 1.266 82 G CA -0.810 44.239 45.100 -0.084 0.000 0.844 82 G HN 0.651 nan 8.290 nan 0.000 0.571 83 R N 0.829 121.211 120.500 -0.197 0.000 2.473 83 R HA 0.252 4.592 4.340 0.001 0.000 0.303 83 R C -0.946 175.383 176.300 0.049 0.000 1.002 83 R CA -0.639 55.391 56.100 -0.117 0.000 0.884 83 R CB 1.657 31.726 30.300 -0.385 0.000 1.173 83 R HN 0.517 nan 8.270 nan 0.000 0.464 84 C N 4.935 124.297 119.300 0.103 0.000 2.619 84 C HA 0.180 4.641 4.460 0.001 0.000 0.389 84 C C 0.809 175.932 174.990 0.221 0.000 1.314 84 C CA -0.263 58.862 59.018 0.177 0.000 1.678 84 C CB -1.114 26.741 27.740 0.193 0.000 2.398 84 C HN 0.974 nan 8.230 nan 0.000 0.582 85 Y N 2.173 122.555 120.300 0.137 0.000 2.588 85 Y HA 0.545 5.096 4.550 0.001 0.000 0.247 85 Y C 0.062 176.021 175.900 0.099 0.000 1.157 85 Y CA -0.705 57.442 58.100 0.077 0.000 1.215 85 Y CB 0.028 38.587 38.460 0.164 0.000 1.245 85 Y HN 0.558 nan 8.280 nan 0.000 0.534 86 D N 1.000 121.321 120.400 -0.132 0.000 2.687 86 D HA 0.331 4.972 4.640 0.001 0.000 0.213 86 D C -1.700 174.680 176.300 0.134 0.000 1.218 86 D CA -0.234 53.724 54.000 -0.071 0.000 0.768 86 D CB 1.900 42.474 40.800 -0.378 0.000 1.855 86 D HN 0.227 nan 8.370 nan 0.000 0.508 87 I N 2.392 123.072 120.570 0.184 0.000 2.478 87 I HA 0.263 4.434 4.170 0.001 0.000 0.287 87 I C -0.028 176.224 176.117 0.226 0.000 1.042 87 I CA -0.664 60.767 61.300 0.217 0.000 1.067 87 I CB 2.103 40.180 38.000 0.127 0.000 1.233 87 I HN 0.102 nan 8.210 nan 0.000 0.431 88 E N 7.040 127.405 120.200 0.274 0.000 2.266 88 E HA 0.386 4.737 4.350 0.001 0.000 0.277 88 E C -2.445 174.279 176.600 0.207 0.000 1.018 88 E CA -1.766 54.761 56.400 0.212 0.000 0.840 88 E CB 1.244 31.072 29.700 0.213 0.000 1.082 88 E HN 0.266 nan 8.360 nan 0.000 0.395 89 P HA 0.074 nan 4.420 nan 0.000 0.281 89 P C -0.846 176.405 177.300 -0.082 0.000 1.249 89 P CA -0.464 62.598 63.100 -0.064 0.000 0.810 89 P CB 0.698 32.359 31.700 -0.064 0.000 1.008 90 V N 4.334 124.142 119.914 -0.176 0.000 2.385 90 V HA 0.235 4.356 4.120 0.001 0.000 0.269 90 V C -1.817 174.224 176.094 -0.088 0.000 1.043 90 V CA -1.753 60.491 62.300 -0.093 0.000 0.906 90 V CB 0.518 32.293 31.823 -0.080 0.000 0.995 90 V HN 0.590 nan 8.190 nan 0.000 0.467 91 P HA 0.118 nan 4.420 nan 0.000 0.265 91 P C 0.858 178.135 177.300 -0.037 0.000 1.193 91 P CA 1.007 64.084 63.100 -0.040 0.000 0.765 91 P CB 0.757 32.442 31.700 -0.025 0.000 0.823 92 G N 1.201 109.979 108.800 -0.036 0.000 2.143 92 G HA2 -0.183 3.778 3.960 0.001 0.000 0.248 92 G HA3 -0.183 3.778 3.960 0.001 0.000 0.248 92 G C -0.179 174.700 174.900 -0.036 0.000 0.991 92 G CA -0.152 44.931 45.100 -0.028 0.000 0.689 92 G HN 0.597 nan 8.290 nan 0.000 0.522 93 E N -0.001 120.161 120.200 -0.062 0.000 2.274 93 E HA 0.249 4.600 4.350 0.001 0.000 0.269 93 E C 0.249 176.780 176.600 -0.114 0.000 0.891 93 E CA -0.649 55.703 56.400 -0.079 0.000 0.784 93 E CB 1.262 30.906 29.700 -0.092 0.000 1.225 93 E HN 0.149 nan 8.360 nan 0.000 0.412 94 D N 1.263 121.617 120.400 -0.076 0.000 2.077 94 D HA -0.143 4.498 4.640 0.001 0.000 0.196 94 D C 0.667 176.910 176.300 -0.094 0.000 0.986 94 D CA 1.173 55.134 54.000 -0.065 0.000 0.829 94 D CB 0.303 41.090 40.800 -0.022 0.000 0.983 94 D HN 0.193 nan 8.370 nan 0.000 0.453 95 N N 0.284 118.945 118.700 -0.065 0.000 2.699 95 N HA 0.090 4.831 4.740 0.001 0.000 0.317 95 N C -1.420 174.084 175.510 -0.010 0.000 1.661 95 N CA -0.038 53.017 53.050 0.009 0.000 0.979 95 N CB 0.276 38.805 38.487 0.070 0.000 1.329 95 N HN 0.049 nan 8.380 nan 0.000 0.497 96 Q N 0.896 120.539 119.800 -0.261 0.000 2.271 96 Q HA 0.325 4.665 4.340 0.001 0.000 0.268 96 Q C -1.688 174.079 176.000 -0.389 0.000 1.021 96 Q CA -0.609 55.100 55.803 -0.156 0.000 0.802 96 Q CB 1.431 30.121 28.738 -0.080 0.000 1.282 96 Q HN 0.216 nan 8.270 nan 0.000 0.431 97 Y N 1.787 122.084 120.300 -0.004 0.000 2.545 97 Y HA 0.475 5.026 4.550 0.001 0.000 0.348 97 Y C -0.187 175.706 175.900 -0.012 0.000 1.002 97 Y CA -1.153 56.946 58.100 -0.001 0.000 1.039 97 Y CB 1.393 39.845 38.460 -0.013 0.000 1.271 97 Y HN 0.457 nan 8.280 nan 0.000 0.467 98 I N 2.705 123.365 120.570 0.149 0.000 2.301 98 I HA 0.385 4.556 4.170 0.001 0.000 0.292 98 I C 0.247 176.365 176.117 0.002 0.000 1.046 98 I CA -0.692 60.614 61.300 0.011 0.000 1.282 98 I CB 0.058 38.050 38.000 -0.013 0.000 1.409 98 I HN 0.687 nan 8.210 nan 0.000 0.484 99 A N 7.477 130.273 122.820 -0.041 0.000 2.301 99 A HA 0.616 4.937 4.320 0.001 0.000 0.298 99 A C -1.144 176.392 177.584 -0.079 0.000 1.185 99 A CA -0.301 51.735 52.037 -0.001 0.000 0.830 99 A CB 0.308 19.294 19.000 -0.023 0.000 1.112 99 A HN 0.527 nan 8.150 nan 0.000 0.508 100 Y N 1.265 121.536 120.300 -0.049 0.000 2.341 100 Y HA 0.511 5.062 4.550 0.001 0.000 0.337 100 Y C 0.062 175.927 175.900 -0.058 0.000 1.014 100 Y CA -0.431 57.607 58.100 -0.103 0.000 1.111 100 Y CB 2.041 40.185 38.460 -0.526 0.000 1.194 100 Y HN 0.401 nan 8.280 nan 0.000 0.462 101 V N 2.803 122.943 119.914 0.377 0.000 2.656 101 V HA 0.830 4.951 4.120 0.001 0.000 0.307 101 V C -0.527 175.743 176.094 0.294 0.000 1.051 101 V CA -1.042 61.414 62.300 0.259 0.000 0.893 101 V CB 1.740 33.587 31.823 0.039 0.000 0.999 101 V HN 0.845 nan 8.190 nan 0.000 0.426 102 A N 3.962 126.859 122.820 0.127 0.000 2.318 102 A HA 0.912 5.233 4.320 0.001 0.000 0.324 102 A C -1.404 176.060 177.584 -0.200 0.000 1.170 102 A CA -0.363 51.683 52.037 0.015 0.000 0.810 102 A CB 0.774 19.765 19.000 -0.015 0.000 1.198 102 A HN 0.726 nan 8.150 nan 0.000 0.484 106 D N 1.744 122.240 120.400 0.159 0.000 2.315 106 D HA -0.093 4.548 4.640 0.001 0.000 0.211 106 D C 1.970 178.307 176.300 0.061 0.000 0.977 106 D CA 1.210 55.304 54.000 0.158 0.000 0.894 106 D CB 0.024 40.982 40.800 0.264 0.000 0.910 106 D HN 0.411 nan 8.370 nan 0.000 0.490 107 L N -0.916 120.248 121.223 -0.099 0.000 2.478 107 L HA 0.041 4.382 4.340 0.001 0.000 0.223 107 L C 0.018 176.528 176.870 -0.600 0.000 1.140 107 L CA 0.363 54.928 54.840 -0.459 0.000 0.842 107 L CB -0.028 41.563 42.059 -0.780 0.000 0.953 107 L HN -0.077 nan 8.230 nan 0.000 0.452 108 F N -0.459 119.472 119.950 -0.031 0.000 2.495 108 F HA 0.311 4.839 4.527 0.001 0.000 0.327 108 F C 0.619 176.482 175.800 0.105 0.000 1.103 108 F CA -1.155 56.834 58.000 -0.018 0.000 0.949 108 F CB 1.128 39.975 39.000 -0.254 0.000 1.142 108 F HN -0.192 nan 8.300 nan 0.000 0.457 109 E N 1.724 122.099 120.200 0.291 0.000 2.384 109 E HA 0.082 4.433 4.350 0.001 0.000 0.266 109 E C -0.677 176.069 176.600 0.244 0.000 1.012 109 E CA -0.418 56.099 56.400 0.194 0.000 0.901 109 E CB 0.602 30.365 29.700 0.104 0.000 0.967 109 E HN 0.508 nan 8.360 nan 0.000 0.435 110 E N 1.917 122.178 120.200 0.101 0.000 2.413 110 E HA 0.204 4.555 4.350 0.001 0.000 0.263 110 E C 0.914 177.261 176.600 -0.422 0.000 1.015 110 E CA 1.073 57.416 56.400 -0.094 0.000 0.916 110 E CB 0.634 30.288 29.700 -0.077 0.000 0.947 110 E HN 0.776 nan 8.360 nan 0.000 0.440 111 G N 2.188 110.321 108.800 -1.112 0.000 2.186 111 G HA2 -0.351 3.610 3.960 0.001 0.000 0.266 111 G HA3 -0.351 3.610 3.960 0.001 0.000 0.266 111 G C 0.420 174.777 174.900 -0.905 0.000 0.982 111 G CA 0.749 44.951 45.100 -1.498 0.000 0.670 111 G HN 0.495 nan 8.290 nan 0.000 0.533 112 S N -0.312 115.133 115.700 -0.423 0.000 2.475 112 S HA 0.510 4.980 4.470 0.001 0.000 0.249 112 S C 1.648 176.370 174.600 0.204 0.000 1.298 112 S CA 0.112 58.308 58.200 -0.008 0.000 1.125 112 S CB 0.890 64.108 63.200 0.030 0.000 1.054 112 S HN 0.517 nan 8.310 nan 0.000 0.484 113 V N 4.424 124.466 119.914 0.213 0.000 2.324 113 V HA -0.180 3.941 4.120 0.001 0.000 0.250 113 V C 2.639 178.577 176.094 -0.259 0.000 1.060 113 V CA 2.592 64.820 62.300 -0.119 0.000 1.042 113 V CB -1.166 30.318 31.823 -0.565 0.000 0.650 113 V HN 0.788 nan 8.190 nan 0.000 0.450 114 T N -0.043 114.420 114.554 -0.152 0.000 2.699 114 T HA -0.268 4.082 4.350 0.001 0.000 0.268 114 T C 1.919 176.663 174.700 0.073 0.000 1.036 114 T CA 1.984 64.065 62.100 -0.032 0.000 1.147 114 T CB -0.489 68.417 68.868 0.063 0.000 0.862 114 T HN 0.597 nan 8.240 nan 0.000 0.446 115 N N 0.546 119.316 118.700 0.116 0.000 2.106 115 N HA -0.076 4.664 4.740 0.001 0.000 0.188 115 N C 2.140 177.801 175.510 0.252 0.000 1.029 115 N CA 1.270 54.421 53.050 0.168 0.000 0.848 115 N CB -0.241 38.355 38.487 0.183 0.000 1.007 115 N HN 0.392 nan 8.380 nan 0.000 0.423 116 M N -0.145 119.650 119.600 0.326 0.000 2.082 116 M HA -0.210 4.270 4.480 0.001 0.000 0.258 116 M C 1.545 178.030 176.300 0.308 0.000 1.069 116 M CA 1.746 57.253 55.300 0.345 0.000 1.102 116 M CB -0.202 32.517 32.600 0.198 0.000 1.336 116 M HN 0.046 nan 8.290 nan 0.000 0.404 117 F N 0.325 120.263 119.950 -0.021 0.000 2.234 117 F HA -0.121 4.407 4.527 0.001 0.000 0.299 117 F C 2.505 178.319 175.800 0.023 0.000 1.087 117 F CA 1.569 59.552 58.000 -0.027 0.000 1.340 117 F CB -1.299 37.665 39.000 -0.061 0.000 1.031 117 F HN 0.197 nan 8.300 nan 0.000 0.500 118 T N -1.051 113.637 114.554 0.222 0.000 2.684 118 T HA -0.182 4.169 4.350 0.001 0.000 0.267 118 T C 2.386 177.144 174.700 0.097 0.000 1.036 118 T CA 1.810 63.994 62.100 0.139 0.000 1.148 118 T CB -0.435 68.498 68.868 0.109 0.000 0.863 118 T HN 0.149 nan 8.240 nan 0.000 0.436 119 S N 0.758 116.505 115.700 0.078 0.000 2.344 119 S HA 0.022 4.493 4.470 0.001 0.000 0.217 119 S C 2.070 176.683 174.600 0.021 0.000 1.033 119 S CA 1.034 59.240 58.200 0.010 0.000 1.017 119 S CB -0.385 62.760 63.200 -0.091 0.000 0.941 119 S HN 0.374 nan 8.310 nan 0.000 0.430 120 I N 1.281 121.847 120.570 -0.007 0.000 2.315 120 I HA -0.076 4.095 4.170 0.001 0.000 0.248 120 I C 1.577 177.822 176.117 0.213 0.000 1.117 120 I CA 0.969 62.279 61.300 0.017 0.000 1.404 120 I CB -0.055 37.870 38.000 -0.126 0.000 1.071 120 I HN 0.257 nan 8.210 nan 0.000 0.419 121 V N -2.430 117.539 119.914 0.091 0.000 3.085 121 V HA 0.479 4.600 4.120 0.001 0.000 0.345 121 V C 1.414 177.562 176.094 0.090 0.000 1.397 121 V CA 0.242 62.619 62.300 0.128 0.000 1.165 121 V CB -0.407 31.252 31.823 -0.274 0.000 1.153 121 V HN 0.231 nan 8.190 nan 0.000 0.495 122 G N 1.608 110.490 108.800 0.136 0.000 2.454 122 G HA2 -0.100 3.861 3.960 0.001 0.000 0.214 122 G HA3 -0.100 3.861 3.960 0.001 0.000 0.214 122 G C 1.209 176.194 174.900 0.142 0.000 1.217 122 G CA 1.153 46.321 45.100 0.113 0.000 0.799 122 G HN 0.530 nan 8.290 nan 0.000 0.538 123 N N -0.462 118.351 118.700 0.189 0.000 2.445 123 N HA 0.004 4.744 4.740 0.001 0.000 0.204 123 N C 2.394 178.101 175.510 0.328 0.000 1.098 123 N CA 0.967 54.148 53.050 0.217 0.000 0.859 123 N CB 0.201 38.807 38.487 0.198 0.000 1.249 123 N HN 0.233 nan 8.380 nan 0.000 0.462 124 V N -0.696 119.398 119.914 0.300 0.000 2.392 124 V HA -0.143 3.978 4.120 0.001 0.000 0.249 124 V C 1.733 177.948 176.094 0.201 0.000 1.059 124 V CA 1.413 63.813 62.300 0.166 0.000 1.051 124 V CB -1.300 30.411 31.823 -0.187 0.000 0.658 124 V HN -0.044 nan 8.190 nan 0.000 0.455 125 F N 2.502 122.519 119.950 0.111 0.000 2.494 125 F HA 0.196 4.724 4.527 0.001 0.000 0.298 125 F C 2.276 178.208 175.800 0.219 0.000 1.106 125 F CA 1.221 59.315 58.000 0.155 0.000 1.452 125 F CB -0.824 38.242 39.000 0.110 0.000 1.085 125 F HN 0.356 nan 8.300 nan 0.000 0.569 126 G N -1.948 107.068 108.800 0.360 0.000 3.159 126 G HA2 0.055 4.016 3.960 0.001 0.000 0.232 126 G HA3 0.055 4.016 3.960 0.001 0.000 0.232 126 G C 0.127 175.113 174.900 0.144 0.000 1.116 126 G CA -0.229 45.002 45.100 0.218 0.000 0.767 126 G HN 0.037 nan 8.290 nan 0.000 0.547 127 F N 1.303 121.269 119.950 0.028 0.000 2.529 127 F HA 0.238 4.765 4.527 0.001 0.000 0.365 127 F C 1.754 177.550 175.800 -0.008 0.000 1.102 127 F CA 0.129 58.124 58.000 -0.008 0.000 1.271 127 F CB 1.200 40.170 39.000 -0.051 0.000 1.120 127 F HN -0.075 nan 8.300 nan 0.000 0.579 128 K N 2.715 123.135 120.400 0.033 0.000 2.103 128 K HA -0.160 4.161 4.320 0.001 0.000 0.207 128 K C 1.880 178.537 176.600 0.094 0.000 1.048 128 K CA 1.326 57.633 56.287 0.033 0.000 0.930 128 K CB -0.191 32.292 32.500 -0.028 0.000 0.716 128 K HN 0.715 nan 8.250 nan 0.000 0.444 129 A N 0.962 123.892 122.820 0.183 0.000 2.248 129 A HA 0.014 4.335 4.320 0.001 0.000 0.210 129 A C 0.266 177.892 177.584 0.069 0.000 1.174 129 A CA 0.620 52.737 52.037 0.135 0.000 0.750 129 A CB -0.700 18.408 19.000 0.179 0.000 0.780 129 A HN 0.244 nan 8.150 nan 0.000 0.478 130 L N -7.037 114.230 121.223 0.073 0.000 2.424 130 L HA 0.636 4.976 4.340 0.001 0.000 0.258 130 L C 0.487 177.381 176.870 0.041 0.000 0.995 130 L CA -0.829 54.029 54.840 0.030 0.000 0.821 130 L CB 1.149 43.195 42.059 -0.021 0.000 1.383 130 L HN -0.083 nan 8.230 nan 0.000 0.410 131 R N 0.673 121.193 120.500 0.034 0.000 2.090 131 R HA 0.670 5.011 4.340 0.001 0.000 0.219 131 R C -0.050 176.271 176.300 0.035 0.000 1.100 131 R CA 0.914 57.031 56.100 0.028 0.000 0.991 131 R CB 0.471 30.787 30.300 0.027 0.000 0.893 131 R HN 0.889 nan 8.270 nan 0.000 0.443 132 A N 0.613 123.481 122.820 0.080 0.000 2.574 132 A HA 0.580 4.901 4.320 0.001 0.000 0.297 132 A C -1.973 175.721 177.584 0.184 0.000 1.062 132 A CA -0.602 51.555 52.037 0.200 0.000 0.686 132 A CB 1.772 20.871 19.000 0.165 0.000 1.285 132 A HN 0.070 nan 8.150 nan 0.000 0.403 133 L N 0.902 122.295 121.223 0.282 0.000 2.455 133 L HA 0.775 5.116 4.340 0.001 0.000 0.264 133 L C -0.624 176.184 176.870 -0.104 0.000 0.968 133 L CA -0.152 54.609 54.840 -0.131 0.000 0.827 133 L CB 1.906 43.589 42.059 -0.627 0.000 1.317 133 L HN 0.788 nan 8.230 nan 0.000 0.407 134 R N 4.063 124.561 120.500 -0.003 0.000 2.514 134 R HA 0.507 4.848 4.340 0.001 0.000 0.296 134 R C -1.808 174.532 176.300 0.066 0.000 1.012 134 R CA -0.891 55.276 56.100 0.112 0.000 0.897 134 R CB 1.812 32.169 30.300 0.096 0.000 1.184 134 R HN 0.677 nan 8.270 nan 0.000 0.440 135 L N 4.248 125.536 121.223 0.109 0.000 2.281 135 L HA 0.238 4.579 4.340 0.001 0.000 0.285 135 L C 0.821 177.591 176.870 -0.166 0.000 1.074 135 L CA 0.574 55.289 54.840 -0.209 0.000 0.817 135 L CB 1.014 42.917 42.059 -0.260 0.000 1.168 135 L HN 0.660 nan 8.230 nan 0.000 0.434 136 E N 2.244 122.254 120.200 -0.318 0.000 2.201 136 E HA 0.124 4.475 4.350 0.001 0.000 0.193 136 E C -0.361 176.080 176.600 -0.264 0.000 0.957 136 E CA 0.388 56.593 56.400 -0.326 0.000 0.858 136 E CB 0.537 29.828 29.700 -0.682 0.000 0.816 136 E HN 0.685 nan 8.360 nan 0.000 0.475 137 D N -0.933 119.304 120.400 -0.272 0.000 2.623 137 D HA 0.396 5.037 4.640 0.001 0.000 0.241 137 D C -1.498 174.864 176.300 0.103 0.000 1.241 137 D CA -0.444 53.562 54.000 0.011 0.000 0.788 137 D CB 1.462 42.358 40.800 0.160 0.000 1.413 137 D HN -0.155 nan 8.370 nan 0.000 0.429 138 L N 1.203 122.461 121.223 0.058 0.000 2.370 138 L HA 0.567 4.907 4.340 0.001 0.000 0.266 138 L C -0.080 176.615 176.870 -0.290 0.000 1.002 138 L CA -0.981 53.766 54.840 -0.156 0.000 0.818 138 L CB 2.141 44.096 42.059 -0.174 0.000 1.325 138 L HN 0.171 nan 8.230 nan 0.000 0.418 139 R N 3.620 123.721 120.500 -0.664 0.000 2.215 139 R HA 0.373 4.713 4.340 0.001 0.000 0.337 139 R C -1.024 175.037 176.300 -0.399 0.000 1.010 139 R CA -0.689 55.065 56.100 -0.577 0.000 0.871 139 R CB 0.449 30.258 30.300 -0.819 0.000 1.134 139 R HN 0.410 nan 8.270 nan 0.000 0.477 140 I N 7.515 127.862 120.570 -0.373 0.000 2.301 140 I HA 0.264 4.434 4.170 0.001 0.000 0.292 140 I C -1.974 173.983 176.117 -0.265 0.000 1.046 140 I CA -3.010 58.110 61.300 -0.300 0.000 1.282 140 I CB 0.820 38.621 38.000 -0.332 0.000 1.409 140 I HN 0.227 nan 8.210 nan 0.000 0.484 141 P HA 0.231 nan 4.420 nan 0.000 0.275 141 P C -2.213 175.068 177.300 -0.032 0.000 1.228 141 P CA -1.517 61.527 63.100 -0.095 0.000 0.786 141 P CB 0.446 32.120 31.700 -0.043 0.000 0.927 142 P HA -0.250 nan 4.420 nan 0.000 0.218 142 P C 1.478 178.820 177.300 0.071 0.000 1.154 142 P CA 2.439 65.550 63.100 0.019 0.000 0.872 142 P CB -0.490 31.227 31.700 0.028 0.000 0.790 143 A N -2.294 120.576 122.820 0.082 0.000 2.019 143 A HA -0.224 4.097 4.320 0.001 0.000 0.219 143 A C 2.224 179.928 177.584 0.200 0.000 1.164 143 A CA 1.334 53.440 52.037 0.116 0.000 0.644 143 A CB -1.654 17.406 19.000 0.099 0.000 0.805 143 A HN 0.146 nan 8.150 nan 0.000 0.449 144 Y N 0.089 120.418 120.300 0.050 0.000 2.206 144 Y HA -0.061 4.489 4.550 0.001 0.000 0.292 144 Y C 2.443 178.478 175.900 0.225 0.000 1.123 144 Y CA 1.156 59.323 58.100 0.112 0.000 1.142 144 Y CB -0.440 38.033 38.460 0.021 0.000 1.006 144 Y HN 0.054 nan 8.280 nan 0.000 0.518 145 V N 0.899 120.876 119.914 0.105 0.000 2.324 145 V HA -0.355 3.765 4.120 0.001 0.000 0.250 145 V C 2.280 178.467 176.094 0.156 0.000 1.060 145 V CA 2.203 64.536 62.300 0.055 0.000 1.042 145 V CB -0.533 31.324 31.823 0.056 0.000 0.650 145 V HN 0.296 nan 8.190 nan 0.000 0.450 146 K N 0.407 120.880 120.400 0.122 0.000 2.362 146 K HA -0.096 4.225 4.320 0.001 0.000 0.200 146 K C 2.037 178.677 176.600 0.067 0.000 1.046 146 K CA 1.559 57.902 56.287 0.094 0.000 0.952 146 K CB -0.772 31.771 32.500 0.073 0.000 0.753 146 K HN 0.759 nan 8.250 nan 0.000 0.466 147 T N -1.833 112.753 114.554 0.052 0.000 3.160 147 T HA 0.061 4.412 4.350 0.001 0.000 0.257 147 T C 0.385 174.901 174.700 -0.306 0.000 1.147 147 T CA -0.067 61.956 62.100 -0.129 0.000 1.064 147 T CB -0.296 68.424 68.868 -0.248 0.000 0.949 147 T HN -0.162 nan 8.240 nan 0.000 0.526 148 F N 0.085 119.942 119.950 -0.155 0.000 2.469 148 F HA 0.548 5.076 4.527 0.002 0.000 0.332 148 F C 1.189 176.933 175.800 -0.093 0.000 1.103 148 F CA -1.412 56.502 58.000 -0.143 0.000 0.979 148 F CB 1.844 40.745 39.000 -0.166 0.000 1.137 148 F HN -0.266 nan 8.300 nan 0.000 0.463 149 V N 2.312 122.250 119.914 0.040 0.000 2.358 149 V HA 0.020 4.141 4.120 0.001 0.000 0.246 149 V C 1.379 177.482 176.094 0.015 0.000 1.047 149 V CA 1.526 63.828 62.300 0.002 0.000 1.035 149 V CB -1.253 30.549 31.823 -0.034 0.000 0.658 149 V HN 1.141 nan 8.190 nan 0.000 0.452 153 H N -0.950 118.090 119.070 -0.051 0.000 2.006 153 H HA 0.475 5.032 4.556 0.001 0.000 0.189 153 H C 1.013 176.327 175.328 -0.024 0.000 0.887 153 H CA 1.204 57.233 56.048 -0.032 0.000 0.958 153 H CB 0.542 30.288 29.762 -0.027 0.000 1.163 153 H HN 0.268 nan 8.280 nan 0.000 0.364 154 G N 1.236 110.089 108.800 0.089 0.000 2.746 154 G HA2 -0.209 3.752 3.960 0.001 0.000 0.685 154 G HA3 -0.209 3.752 3.960 0.001 0.000 0.685 154 G C 0.833 175.773 174.900 0.067 0.000 1.350 154 G CA -0.032 45.088 45.100 0.034 0.000 0.837 154 G HN 0.192 nan 8.290 nan 0.000 0.564 155 I N 0.199 120.795 120.570 0.043 0.000 2.127 155 I HA -0.265 3.905 4.170 0.001 0.000 0.241 155 I C 2.987 179.149 176.117 0.075 0.000 1.075 155 I CA 2.416 63.751 61.300 0.058 0.000 1.334 155 I CB -0.381 37.642 38.000 0.038 0.000 1.040 155 I HN 0.633 nan 8.210 nan 0.000 0.405 156 Q N 0.230 120.075 119.800 0.074 0.000 2.050 156 Q HA -0.143 4.198 4.340 0.001 0.000 0.202 156 Q C 2.318 178.378 176.000 0.101 0.000 0.980 156 Q CA 1.610 57.470 55.803 0.095 0.000 0.840 156 Q CB -0.529 28.257 28.738 0.081 0.000 0.898 156 Q HN 0.370 nan 8.270 nan 0.000 0.424 157 V N 0.596 120.565 119.914 0.091 0.000 2.358 157 V HA -0.255 3.866 4.120 0.001 0.000 0.246 157 V C 2.199 178.326 176.094 0.055 0.000 1.047 157 V CA 1.991 64.344 62.300 0.088 0.000 1.035 157 V CB -0.612 31.285 31.823 0.124 0.000 0.658 157 V HN 0.458 nan 8.190 nan 0.000 0.452 158 E N 0.476 120.713 120.200 0.061 0.000 2.049 158 E HA -0.282 4.068 4.350 0.001 0.000 0.198 158 E C 2.463 179.076 176.600 0.022 0.000 1.007 158 E CA 1.722 58.145 56.400 0.039 0.000 0.809 158 E CB -0.132 29.631 29.700 0.105 0.000 0.749 158 E HN 0.484 nan 8.360 nan 0.000 0.450 159 R N 0.271 120.784 120.500 0.021 0.000 2.091 159 R HA -0.149 4.191 4.340 0.001 0.000 0.238 159 R C 2.121 178.323 176.300 -0.163 0.000 1.136 159 R CA 1.623 57.665 56.100 -0.096 0.000 0.959 159 R CB -0.264 30.025 30.300 -0.019 0.000 0.856 159 R HN 0.320 nan 8.270 nan 0.000 0.437 160 D N 0.450 120.881 120.400 0.051 0.000 2.123 160 D HA -0.145 4.495 4.640 0.001 0.000 0.196 160 D C 1.756 178.076 176.300 0.033 0.000 0.992 160 D CA 1.279 55.352 54.000 0.122 0.000 0.833 160 D CB -0.045 40.844 40.800 0.148 0.000 0.954 160 D HN 0.195 nan 8.370 nan 0.000 0.455 161 K N 0.074 120.472 120.400 -0.004 0.000 2.057 161 K HA -0.021 4.300 4.320 0.001 0.000 0.207 161 K C 2.230 178.815 176.600 -0.026 0.000 1.049 161 K CA 0.581 56.855 56.287 -0.023 0.000 0.931 161 K CB -0.087 32.368 32.500 -0.075 0.000 0.714 161 K HN 0.153 nan 8.250 nan 0.000 0.440 162 L N 0.290 121.485 121.223 -0.047 0.000 2.395 162 L HA -0.029 4.312 4.340 0.001 0.000 0.218 162 L C 0.553 177.353 176.870 -0.116 0.000 1.130 162 L CA 0.200 55.009 54.840 -0.051 0.000 0.826 162 L CB -0.417 41.627 42.059 -0.026 0.000 0.941 162 L HN 0.415 nan 8.230 nan 0.000 0.451 163 N N 1.164 119.747 118.700 -0.195 0.000 2.756 163 N HA -0.174 4.567 4.740 0.001 0.000 0.248 163 N C -0.659 174.595 175.510 -0.426 0.000 1.062 163 N CA 0.327 53.229 53.050 -0.247 0.000 0.696 163 N CB -0.386 38.081 38.487 -0.034 0.000 0.946 163 N HN 0.344 nan 8.380 nan 0.000 0.548 164 K N 1.660 121.622 120.400 -0.730 0.000 2.502 164 K HA 0.369 4.690 4.320 0.001 0.000 0.254 164 K C -1.516 174.706 176.600 -0.630 0.000 0.947 164 K CA -0.378 55.603 56.287 -0.510 0.000 0.834 164 K CB 1.147 33.484 32.500 -0.272 0.000 1.112 164 K HN 0.097 nan 8.250 nan 0.000 0.427 165 Y N -0.588 119.716 120.300 0.007 0.000 2.524 165 Y HA 0.415 4.965 4.550 0.001 0.000 0.347 165 Y C 0.949 176.856 175.900 0.010 0.000 1.005 165 Y CA -0.870 57.237 58.100 0.012 0.000 1.025 165 Y CB 2.501 40.969 38.460 0.014 0.000 1.275 165 Y HN 0.806 nan 8.280 nan 0.000 0.460 166 G N 1.931 110.843 108.800 0.186 0.000 2.160 166 G HA2 -0.179 3.781 3.960 0.001 0.000 0.244 166 G HA3 -0.179 3.781 3.960 0.001 0.000 0.244 166 G C -0.302 174.641 174.900 0.072 0.000 1.022 166 G CA 0.287 45.453 45.100 0.110 0.000 0.741 166 G HN 0.923 nan 8.290 nan 0.000 0.508 167 R N -2.031 118.505 120.500 0.061 0.000 2.728 167 R HA 0.626 4.967 4.340 0.001 0.000 0.274 167 R C 0.462 176.783 176.300 0.035 0.000 1.032 167 R CA -0.592 55.534 56.100 0.044 0.000 0.866 167 R CB -0.020 30.298 30.300 0.031 0.000 1.263 167 R HN 1.077 nan 8.270 nan 0.000 0.475 168 G N 1.042 109.866 108.800 0.040 0.000 2.690 168 G HA2 0.339 4.300 3.960 0.001 0.000 0.239 168 G HA3 0.339 4.300 3.960 0.001 0.000 0.239 168 G C -0.318 174.586 174.900 0.006 0.000 1.233 168 G CA -0.723 44.394 45.100 0.029 0.000 0.847 168 G HN 0.365 nan 8.290 nan 0.000 0.588 169 L N -0.104 121.116 121.223 -0.004 0.000 2.343 169 L HA 0.472 4.813 4.340 0.001 0.000 0.275 169 L C -0.043 176.837 176.870 0.016 0.000 1.056 169 L CA -0.645 54.181 54.840 -0.023 0.000 0.804 169 L CB 1.578 43.647 42.059 0.017 0.000 1.203 169 L HN 0.238 nan 8.230 nan 0.000 0.440 170 L N 1.757 122.970 121.223 -0.016 0.000 2.305 170 L HA 0.666 5.006 4.340 0.001 0.000 0.284 170 L C 0.319 177.228 176.870 0.065 0.000 1.013 170 L CA -0.205 54.672 54.840 0.061 0.000 0.819 170 L CB 1.681 43.776 42.059 0.060 0.000 1.227 170 L HN 0.700 nan 8.230 nan 0.000 0.417 171 G N 1.033 109.900 108.800 0.112 0.000 3.013 171 G HA2 0.646 4.607 3.960 0.001 0.000 0.278 171 G HA3 0.646 4.607 3.960 0.001 0.000 0.278 171 G C -1.777 173.141 174.900 0.029 0.000 1.353 171 G CA -0.516 44.626 45.100 0.070 0.000 1.043 171 G HN 0.651 nan 8.290 nan 0.000 0.523 172 C N -0.009 119.255 119.300 -0.059 0.000 3.050 172 C HA 0.609 5.070 4.460 0.001 0.000 0.416 172 C C -0.306 174.634 174.990 -0.084 0.000 0.994 172 C CA -0.525 58.476 59.018 -0.028 0.000 1.222 172 C CB 0.323 28.069 27.740 0.010 0.000 1.612 172 C HN 0.816 nan 8.230 nan 0.000 0.550 173 T N 7.319 121.848 114.554 -0.041 0.000 2.780 173 T HA 0.379 4.730 4.350 0.001 0.000 0.294 173 T C 0.637 175.326 174.700 -0.018 0.000 0.949 173 T CA -0.260 61.826 62.100 -0.023 0.000 1.074 173 T CB 0.295 69.181 68.868 0.031 0.000 0.910 173 T HN 0.579 nan 8.240 nan 0.000 0.501 174 I N 3.737 124.279 120.570 -0.046 0.000 2.813 174 I HA 0.184 4.354 4.170 0.001 0.000 0.287 174 I C 0.723 176.813 176.117 -0.045 0.000 1.196 174 I CA 0.265 61.479 61.300 -0.142 0.000 1.421 174 I CB -0.049 37.635 38.000 -0.526 0.000 1.365 174 I HN 0.481 nan 8.210 nan 0.000 0.591 175 K N 5.415 125.791 120.400 -0.040 0.000 2.477 175 K HA 0.523 4.844 4.320 0.001 0.000 0.255 175 K C -2.524 174.082 176.600 0.010 0.000 0.952 175 K CA -1.601 54.697 56.287 0.017 0.000 0.826 175 K CB 1.704 34.225 32.500 0.035 0.000 1.331 175 K HN 0.269 nan 8.250 nan 0.000 0.437 176 P HA 0.116 nan 4.420 nan 0.000 0.269 176 P C 0.312 177.647 177.300 0.058 0.000 1.215 176 P CA -0.096 63.020 63.100 0.028 0.000 0.780 176 P CB 0.839 32.536 31.700 -0.005 0.000 0.898 177 K N 0.629 121.062 120.400 0.055 0.000 2.015 177 K HA -0.106 4.214 4.320 0.001 0.000 0.216 177 K C 0.856 177.527 176.600 0.119 0.000 1.052 177 K CA 1.302 57.644 56.287 0.091 0.000 0.937 177 K CB -0.383 32.152 32.500 0.059 0.000 0.719 177 K HN 0.397 nan 8.250 nan 0.000 0.446 178 L N -1.838 119.386 121.223 0.002 0.000 2.313 178 L HA 0.415 4.756 4.340 0.001 0.000 0.268 178 L C 0.986 177.560 176.870 -0.493 0.000 1.010 178 L CA -0.220 54.512 54.840 -0.180 0.000 0.814 178 L CB 1.962 43.933 42.059 -0.145 0.000 1.304 178 L HN 0.554 nan 8.230 nan 0.000 0.441 179 G N 0.830 108.877 108.800 -1.255 0.000 2.278 179 G HA2 -0.185 3.775 3.960 0.001 0.000 0.210 179 G HA3 -0.185 3.775 3.960 0.001 0.000 0.210 179 G C -0.092 174.633 174.900 -0.292 0.000 1.000 179 G CA -0.600 43.990 45.100 -0.850 0.000 0.635 179 G HN 0.316 nan 8.290 nan 0.000 0.495 180 L N 2.680 123.898 121.223 -0.008 0.000 2.371 180 L HA 0.524 4.865 4.340 0.001 0.000 0.272 180 L C 1.510 178.597 176.870 0.362 0.000 1.124 180 L CA 0.042 55.012 54.840 0.216 0.000 0.816 180 L CB 1.365 43.614 42.059 0.318 0.000 1.129 180 L HN 0.490 nan 8.230 nan 0.000 0.448 181 S N 1.963 117.813 115.700 0.250 0.000 2.600 181 S HA 0.278 4.749 4.470 0.001 0.000 0.265 181 S C 1.137 175.859 174.600 0.203 0.000 1.325 181 S CA -0.166 58.163 58.200 0.216 0.000 1.002 181 S CB 1.541 64.812 63.200 0.118 0.000 0.921 181 S HN 0.707 nan 8.310 nan 0.000 0.554 182 A N 1.689 124.613 122.820 0.173 0.000 1.892 182 A HA -0.160 4.161 4.320 0.001 0.000 0.218 182 A C 2.116 179.752 177.584 0.087 0.000 1.188 182 A CA 2.247 54.426 52.037 0.237 0.000 0.631 182 A CB -1.154 18.078 19.000 0.386 0.000 0.822 182 A HN 0.938 nan 8.150 nan 0.000 0.447 183 K N 0.131 120.369 120.400 -0.270 0.000 2.057 183 K HA -0.133 4.187 4.320 0.001 0.000 0.207 183 K C 1.692 178.131 176.600 -0.270 0.000 1.049 183 K CA 1.945 57.798 56.287 -0.725 0.000 0.931 183 K CB -0.312 31.802 32.500 -0.644 0.000 0.714 183 K HN 0.437 nan 8.250 nan 0.000 0.440 184 N N -0.557 118.099 118.700 -0.073 0.000 2.188 184 N HA -0.132 4.609 4.740 0.001 0.000 0.184 184 N C 1.539 177.087 175.510 0.064 0.000 1.018 184 N CA 0.958 54.011 53.050 0.004 0.000 0.858 184 N CB -0.354 38.158 38.487 0.041 0.000 0.989 184 N HN 0.235 nan 8.380 nan 0.000 0.426 185 Y N 1.359 121.667 120.300 0.014 0.000 2.097 185 Y HA -0.158 4.392 4.550 0.001 0.000 0.282 185 Y C 2.463 178.378 175.900 0.025 0.000 1.152 185 Y CA 1.986 60.117 58.100 0.052 0.000 1.136 185 Y CB -0.716 37.803 38.460 0.098 0.000 0.975 185 Y HN 0.082 nan 8.280 nan 0.000 0.498 186 G N -0.636 108.268 108.800 0.174 0.000 2.422 186 G HA2 -0.311 3.650 3.960 0.001 0.000 0.218 186 G HA3 -0.311 3.650 3.960 0.001 0.000 0.218 186 G C 1.754 176.699 174.900 0.075 0.000 1.146 186 G CA 0.904 46.071 45.100 0.112 0.000 0.769 186 G HN 0.363 nan 8.290 nan 0.000 0.547 187 R N 0.537 121.057 120.500 0.034 0.000 2.081 187 R HA 0.054 4.394 4.340 0.001 0.000 0.235 187 R C 2.770 179.116 176.300 0.075 0.000 1.131 187 R CA 1.492 57.633 56.100 0.068 0.000 0.960 187 R CB -0.365 29.945 30.300 0.017 0.000 0.856 187 R HN 0.272 nan 8.270 nan 0.000 0.436 188 A N 0.312 123.134 122.820 0.003 0.000 1.930 188 A HA -0.049 4.272 4.320 0.001 0.000 0.217 188 A C 2.251 179.815 177.584 -0.032 0.000 1.175 188 A CA 1.267 53.280 52.037 -0.039 0.000 0.627 188 A CB -0.432 18.500 19.000 -0.114 0.000 0.815 188 A HN 0.218 nan 8.150 nan 0.000 0.443 189 V N -1.011 118.893 119.914 -0.016 0.000 2.255 189 V HA -0.301 3.819 4.120 0.001 0.000 0.247 189 V C 2.397 178.532 176.094 0.068 0.000 1.051 189 V CA 2.267 64.585 62.300 0.029 0.000 1.018 189 V CB -1.032 30.807 31.823 0.026 0.000 0.641 189 V HN 0.755 nan 8.190 nan 0.000 0.445 190 Y N 1.379 121.674 120.300 -0.009 0.000 2.128 190 Y HA -0.228 4.322 4.550 0.001 0.000 0.284 190 Y C 2.548 178.447 175.900 -0.002 0.000 1.154 190 Y CA 2.003 60.103 58.100 0.000 0.000 1.149 190 Y CB -0.331 38.133 38.460 0.007 0.000 0.976 190 Y HN 0.299 nan 8.280 nan 0.000 0.505 191 E N -0.325 119.690 120.200 -0.308 0.000 2.051 191 E HA -0.208 4.143 4.350 0.001 0.000 0.192 191 E C 2.495 178.946 176.600 -0.250 0.000 0.991 191 E CA 1.496 57.667 56.400 -0.382 0.000 0.799 191 E CB -0.994 28.610 29.700 -0.160 0.000 0.748 191 E HN 0.557 nan 8.360 nan 0.000 0.449 192 C N 1.044 120.263 119.300 -0.136 0.000 2.413 192 C HA -0.112 4.349 4.460 0.001 0.000 0.276 192 C C 2.914 177.844 174.990 -0.100 0.000 1.236 192 C CA 0.468 59.431 59.018 -0.093 0.000 1.735 192 C CB -1.215 26.498 27.740 -0.046 0.000 2.031 192 C HN 0.352 nan 8.230 nan 0.000 0.474 193 L N 1.027 122.197 121.223 -0.089 0.000 2.056 193 L HA -0.149 4.192 4.340 0.001 0.000 0.207 193 L C 2.962 179.776 176.870 -0.094 0.000 1.078 193 L CA 1.829 56.632 54.840 -0.060 0.000 0.749 193 L CB -0.693 41.368 42.059 0.003 0.000 0.901 193 L HN 0.478 nan 8.230 nan 0.000 0.433 194 R N 0.320 120.713 120.500 -0.178 0.000 2.189 194 R HA -0.067 4.273 4.340 0.001 0.000 0.223 194 R C 1.939 178.156 176.300 -0.138 0.000 1.092 194 R CA 1.270 57.265 56.100 -0.174 0.000 0.989 194 R CB -0.770 29.320 30.300 -0.349 0.000 0.876 194 R HN 0.247 nan 8.270 nan 0.000 0.457 195 G N -0.314 108.397 108.800 -0.148 0.000 2.650 195 G HA2 0.165 4.126 3.960 0.001 0.000 0.214 195 G HA3 0.165 4.126 3.960 0.001 0.000 0.214 195 G C 0.959 175.803 174.900 -0.093 0.000 1.136 195 G CA 0.396 45.424 45.100 -0.120 0.000 0.789 195 G HN 0.620 nan 8.290 nan 0.000 0.536 196 G N -1.018 107.732 108.800 -0.083 0.000 2.227 196 G HA2 -0.173 3.787 3.960 0.001 0.000 0.168 196 G HA3 -0.173 3.787 3.960 0.001 0.000 0.168 196 G C 0.258 175.113 174.900 -0.076 0.000 1.006 196 G CA -0.269 44.789 45.100 -0.071 0.000 0.684 196 G HN 0.350 nan 8.290 nan 0.000 0.489 197 L N 1.039 122.217 121.223 -0.075 0.000 2.439 197 L HA 0.343 4.684 4.340 0.001 0.000 0.269 197 L C 1.236 178.030 176.870 -0.127 0.000 1.179 197 L CA -0.526 54.270 54.840 -0.073 0.000 0.828 197 L CB 0.511 42.547 42.059 -0.040 0.000 1.106 197 L HN 0.005 nan 8.230 nan 0.000 0.467 198 D N 1.056 121.326 120.400 -0.217 0.000 2.149 198 D HA 0.041 4.681 4.640 0.001 0.000 0.206 198 D C -0.093 175.920 176.300 -0.479 0.000 0.967 198 D CA 1.525 55.246 54.000 -0.466 0.000 0.848 198 D CB 0.300 40.642 40.800 -0.763 0.000 0.998 198 D HN 0.110 nan 8.370 nan 0.000 0.474 199 F N 0.057 119.966 119.950 -0.069 0.000 2.577 199 F HA 0.338 4.866 4.527 0.001 0.000 0.318 199 F C 0.738 176.366 175.800 -0.287 0.000 1.065 199 F CA -1.063 56.823 58.000 -0.189 0.000 0.929 199 F CB 1.770 40.615 39.000 -0.259 0.000 1.237 199 F HN -0.310 nan 8.300 nan 0.000 0.468 203 D N 0.969 121.507 120.400 0.230 0.000 2.368 203 D HA -0.010 4.631 4.640 0.001 0.000 0.240 203 D C 1.497 177.791 176.300 -0.011 0.000 1.169 203 D CA 0.006 54.065 54.000 0.097 0.000 0.906 203 D CB 1.085 41.957 40.800 0.120 0.000 1.187 203 D HN 0.412 nan 8.370 nan 0.000 0.435 204 E N 2.391 122.469 120.200 -0.203 0.000 2.171 204 E HA -0.273 4.078 4.350 0.001 0.000 0.197 204 E C 0.720 177.215 176.600 -0.176 0.000 0.997 204 E CA 1.351 57.513 56.400 -0.396 0.000 0.810 204 E CB -0.415 28.673 29.700 -1.020 0.000 0.738 204 E HN 0.517 nan 8.360 nan 0.000 0.467 205 N N 0.975 119.627 118.700 -0.079 0.000 2.336 205 N HA 0.005 4.746 4.740 0.001 0.000 0.189 205 N C 0.062 175.607 175.510 0.058 0.000 1.113 205 N CA -0.052 52.992 53.050 -0.011 0.000 0.858 205 N CB 0.086 38.579 38.487 0.009 0.000 0.970 205 N HN -0.044 nan 8.380 nan 0.000 0.471 206 V N 1.959 121.921 119.914 0.080 0.000 2.397 206 V HA 0.141 4.262 4.120 0.001 0.000 0.262 206 V C 0.346 176.477 176.094 0.062 0.000 1.047 206 V CA -0.039 62.325 62.300 0.107 0.000 1.003 206 V CB -0.638 31.261 31.823 0.127 0.000 1.037 206 V HN 0.322 nan 8.190 nan 0.000 0.480 207 N N 2.552 121.271 118.700 0.031 0.000 2.927 207 N HA 0.250 4.990 4.740 0.001 0.000 0.156 207 N C -0.221 175.300 175.510 0.017 0.000 1.474 207 N CA -0.371 52.688 53.050 0.015 0.000 1.124 207 N CB 0.674 39.149 38.487 -0.019 0.000 1.132 207 N HN 0.497 nan 8.380 nan 0.000 0.444 208 S N 0.294 115.982 115.700 -0.020 0.000 2.736 208 S HA 0.461 4.932 4.470 0.001 0.000 0.285 208 S C -1.721 172.795 174.600 -0.140 0.000 1.163 208 S CA -0.405 57.786 58.200 -0.015 0.000 1.025 208 S CB 1.212 64.520 63.200 0.181 0.000 1.030 208 S HN 0.254 nan 8.310 nan 0.000 0.486 209 Q N 3.353 122.948 119.800 -0.341 0.000 2.544 209 Q HA 0.503 4.843 4.340 0.001 0.000 0.291 209 Q C -2.056 173.677 176.000 -0.445 0.000 1.068 209 Q CA -1.820 53.720 55.803 -0.438 0.000 0.785 209 Q CB 1.528 29.830 28.738 -0.727 0.000 1.481 209 Q HN 0.266 nan 8.270 nan 0.000 0.430 210 P HA -0.180 nan 4.420 nan 0.000 0.216 210 P C 0.547 177.790 177.300 -0.095 0.000 1.150 210 P CA 1.397 64.430 63.100 -0.111 0.000 0.843 210 P CB 0.040 31.749 31.700 0.016 0.000 0.787 211 F N -2.737 117.224 119.950 0.018 0.000 2.558 211 F HA 0.282 4.810 4.527 0.001 0.000 0.298 211 F C 1.003 176.817 175.800 0.023 0.000 1.119 211 F CA 0.120 58.133 58.000 0.023 0.000 1.451 211 F CB -0.507 38.512 39.000 0.032 0.000 1.091 211 F HN -0.191 nan 8.300 nan 0.000 0.563 212 M N 1.583 120.888 119.600 -0.492 0.000 2.356 212 M HA 0.319 4.800 4.480 0.001 0.000 0.215 212 M C -1.408 174.710 176.300 -0.302 0.000 0.978 212 M CA -0.503 54.647 55.300 -0.251 0.000 0.972 212 M CB 0.940 33.498 32.600 -0.069 0.000 2.529 212 M HN -0.182 nan 8.290 nan 0.000 0.447 213 R N 4.083 124.461 120.500 -0.202 0.000 2.438 213 R HA 0.146 4.487 4.340 0.001 0.000 0.287 213 R C 1.203 177.368 176.300 -0.226 0.000 1.077 213 R CA -0.084 55.889 56.100 -0.211 0.000 1.034 213 R CB 0.493 30.645 30.300 -0.248 0.000 0.993 213 R HN 0.925 nan 8.270 nan 0.000 0.459 214 W N 5.003 126.156 121.300 -0.244 0.000 2.318 214 W HA -0.259 4.402 4.660 0.001 0.000 0.313 214 W C 1.156 177.409 176.519 -0.443 0.000 1.221 214 W CA 0.945 58.093 57.345 -0.329 0.000 1.266 214 W CB -0.554 28.641 29.460 -0.441 0.000 1.150 214 W HN 0.582 nan 8.180 nan 0.000 0.496 215 R N 1.033 120.646 120.500 -1.478 0.000 2.075 215 R HA -0.147 4.194 4.340 0.001 0.000 0.232 215 R C 1.964 177.950 176.300 -0.523 0.000 1.126 215 R CA 2.085 57.408 56.100 -1.295 0.000 0.963 215 R CB -0.451 28.930 30.300 -1.532 0.000 0.858 215 R HN 0.004 nan 8.270 nan 0.000 0.435 216 D N 0.056 120.204 120.400 -0.420 0.000 2.116 216 D HA -0.239 4.402 4.640 0.001 0.000 0.193 216 D C 1.868 178.149 176.300 -0.032 0.000 0.998 216 D CA 1.276 55.141 54.000 -0.224 0.000 0.836 216 D CB -0.265 40.479 40.800 -0.095 0.000 0.951 216 D HN 0.268 nan 8.370 nan 0.000 0.449 217 R N -0.233 120.307 120.500 0.067 0.000 2.083 217 R HA -0.168 4.172 4.340 0.001 0.000 0.237 217 R C 2.343 178.827 176.300 0.307 0.000 1.137 217 R CA 1.185 57.413 56.100 0.213 0.000 0.951 217 R CB -0.366 30.023 30.300 0.148 0.000 0.851 217 R HN 0.027 nan 8.270 nan 0.000 0.434 218 F N 0.786 120.753 119.950 0.028 0.000 2.095 218 F HA -0.191 4.336 4.527 0.001 0.000 0.298 218 F C 2.172 177.968 175.800 -0.007 0.000 1.104 218 F CA 0.971 59.008 58.000 0.061 0.000 1.232 218 F CB -0.975 38.120 39.000 0.159 0.000 0.987 218 F HN 0.059 nan 8.300 nan 0.000 0.475 219 L N -1.213 120.065 121.223 0.091 0.000 2.012 219 L HA -0.225 4.116 4.340 0.001 0.000 0.210 219 L C 2.358 179.188 176.870 -0.066 0.000 1.073 219 L CA 1.695 56.487 54.840 -0.079 0.000 0.748 219 L CB -1.076 40.799 42.059 -0.307 0.000 0.891 219 L HN -0.040 nan 8.230 nan 0.000 0.431 220 F N -1.523 118.457 119.950 0.051 0.000 2.186 220 F HA -0.153 4.374 4.527 0.001 0.000 0.299 220 F C 2.433 178.242 175.800 0.014 0.000 1.090 220 F CA 0.974 58.995 58.000 0.035 0.000 1.307 220 F CB -1.128 37.900 39.000 0.047 0.000 1.019 220 F HN -0.180 nan 8.300 nan 0.000 0.489 221 V N -0.208 119.808 119.914 0.170 0.000 2.515 221 V HA -0.276 3.845 4.120 0.001 0.000 0.250 221 V C 2.543 178.605 176.094 -0.053 0.000 1.058 221 V CA 1.577 63.873 62.300 -0.008 0.000 1.064 221 V CB -1.264 30.444 31.823 -0.192 0.000 0.675 221 V HN 0.342 nan 8.190 nan 0.000 0.461 222 A N -0.351 122.451 122.820 -0.029 0.000 1.877 222 A HA -0.276 4.045 4.320 0.001 0.000 0.216 222 A C 2.281 179.802 177.584 -0.105 0.000 1.186 222 A CA 2.001 53.970 52.037 -0.114 0.000 0.620 222 A CB -0.499 18.517 19.000 0.027 0.000 0.822 222 A HN 0.613 nan 8.150 nan 0.000 0.443 223 E N -0.151 120.086 120.200 0.061 0.000 2.077 223 E HA -0.140 4.210 4.350 0.001 0.000 0.193 223 E C 2.159 178.797 176.600 0.064 0.000 0.989 223 E CA 1.091 57.562 56.400 0.119 0.000 0.800 223 E CB -0.274 29.513 29.700 0.146 0.000 0.746 223 E HN 0.532 nan 8.360 nan 0.000 0.452 224 A N 1.184 124.035 122.820 0.052 0.000 1.883 224 A HA -0.203 4.118 4.320 0.001 0.000 0.217 224 A C 2.193 179.816 177.584 0.064 0.000 1.186 224 A CA 1.593 53.675 52.037 0.075 0.000 0.624 224 A CB -0.782 18.284 19.000 0.110 0.000 0.822 224 A HN 0.358 nan 8.150 nan 0.000 0.444 225 I N -1.724 118.807 120.570 -0.065 0.000 2.194 225 I HA -0.329 3.842 4.170 0.001 0.000 0.246 225 I C 2.377 178.428 176.117 -0.110 0.000 1.093 225 I CA 1.652 62.865 61.300 -0.145 0.000 1.355 225 I CB -0.398 37.397 38.000 -0.342 0.000 1.046 225 I HN 0.427 nan 8.210 nan 0.000 0.413 226 Y N 0.404 120.750 120.300 0.077 0.000 2.286 226 Y HA -0.128 4.423 4.550 0.001 0.000 0.293 226 Y C 2.495 178.428 175.900 0.055 0.000 1.124 226 Y CA 0.788 58.922 58.100 0.058 0.000 1.178 226 Y CB -0.692 37.793 38.460 0.041 0.000 1.010 226 Y HN 0.055 nan 8.280 nan 0.000 0.536 227 K N 0.356 120.859 120.400 0.172 0.000 2.026 227 K HA -0.188 4.133 4.320 0.001 0.000 0.208 227 K C 2.291 179.011 176.600 0.200 0.000 1.048 227 K CA 1.324 57.668 56.287 0.095 0.000 0.929 227 K CB -0.275 32.150 32.500 -0.124 0.000 0.713 227 K HN 0.255 nan 8.250 nan 0.000 0.439 228 A N 0.920 123.906 122.820 0.277 0.000 1.933 228 A HA -0.210 4.111 4.320 0.001 0.000 0.218 228 A C 2.063 179.734 177.584 0.145 0.000 1.175 228 A CA 1.459 53.648 52.037 0.253 0.000 0.628 228 A CB -0.520 18.594 19.000 0.190 0.000 0.814 228 A HN 0.487 nan 8.150 nan 0.000 0.444 229 Q N -0.804 119.079 119.800 0.139 0.000 2.050 229 Q HA -0.124 4.217 4.340 0.001 0.000 0.202 229 Q C 2.311 178.377 176.000 0.110 0.000 0.980 229 Q CA 1.413 57.288 55.803 0.119 0.000 0.840 229 Q CB -0.293 28.543 28.738 0.164 0.000 0.898 229 Q HN 0.651 nan 8.270 nan 0.000 0.424 230 A N 0.642 123.537 122.820 0.124 0.000 1.930 230 A HA -0.232 4.089 4.320 0.001 0.000 0.217 230 A C 1.835 179.467 177.584 0.080 0.000 1.175 230 A CA 1.637 53.728 52.037 0.091 0.000 0.627 230 A CB -0.542 18.509 19.000 0.084 0.000 0.815 230 A HN 0.545 nan 8.150 nan 0.000 0.443 231 E N -0.345 119.916 120.200 0.102 0.000 2.047 231 E HA -0.165 4.185 4.350 0.001 0.000 0.191 231 E C 2.075 178.715 176.600 0.066 0.000 0.987 231 E CA 1.832 58.290 56.400 0.097 0.000 0.799 231 E CB -0.123 29.670 29.700 0.155 0.000 0.752 231 E HN 0.706 nan 8.360 nan 0.000 0.449 232 T N -3.458 111.132 114.554 0.060 0.000 3.035 232 T HA 0.174 4.524 4.350 0.001 0.000 0.259 232 T C 1.614 176.332 174.700 0.031 0.000 1.078 232 T CA 0.825 62.945 62.100 0.033 0.000 1.132 232 T CB 0.161 69.039 68.868 0.016 0.000 0.900 232 T HN 0.376 nan 8.240 nan 0.000 0.480 233 G N 1.256 110.080 108.800 0.040 0.000 2.168 233 G HA2 -0.243 3.718 3.960 0.001 0.000 0.263 233 G HA3 -0.243 3.718 3.960 0.001 0.000 0.263 233 G C -0.216 174.699 174.900 0.026 0.000 0.977 233 G CA 0.382 45.503 45.100 0.035 0.000 0.659 233 G HN 0.692 nan 8.290 nan 0.000 0.533 234 E N -0.522 119.688 120.200 0.017 0.000 2.214 234 E HA 0.537 4.888 4.350 0.001 0.000 0.274 234 E C 0.317 176.918 176.600 0.003 0.000 0.977 234 E CA -1.035 55.364 56.400 -0.002 0.000 0.827 234 E CB 2.297 31.982 29.700 -0.026 0.000 1.130 234 E HN 0.056 nan 8.360 nan 0.000 0.394 235 V N 3.646 123.554 119.914 -0.009 0.000 2.599 235 V HA -0.006 4.115 4.120 0.001 0.000 0.300 235 V C 0.233 176.311 176.094 -0.026 0.000 1.034 235 V CA 0.481 62.785 62.300 0.006 0.000 1.115 235 V CB 0.061 31.885 31.823 0.002 0.000 0.934 235 V HN 0.516 nan 8.190 nan 0.000 0.485 236 K N 3.222 123.633 120.400 0.019 0.000 2.340 236 K HA 0.813 5.134 4.320 0.001 0.000 0.244 236 K C -0.010 176.651 176.600 0.101 0.000 0.973 236 K CA -0.446 55.848 56.287 0.012 0.000 0.828 236 K CB 2.460 34.974 32.500 0.024 0.000 1.226 236 K HN 0.825 nan 8.250 nan 0.000 0.437 237 G N 0.291 109.219 108.800 0.213 0.000 2.690 237 G HA2 0.404 4.365 3.960 0.001 0.000 0.291 237 G HA3 0.404 4.365 3.960 0.001 0.000 0.291 237 G C -1.883 173.213 174.900 0.327 0.000 1.403 237 G CA -0.258 45.057 45.100 0.358 0.000 0.864 237 G HN 0.547 nan 8.290 nan 0.000 0.480 238 H N 0.477 119.594 119.070 0.078 0.000 2.877 238 H HA 0.316 4.872 4.556 0.001 0.000 0.347 238 H C -1.188 174.123 175.328 -0.028 0.000 1.042 238 H CA -0.588 55.429 56.048 -0.052 0.000 1.276 238 H CB 1.444 31.186 29.762 -0.034 0.000 1.681 238 H HN 0.376 nan 8.280 nan 0.000 0.521 239 Y N 5.621 125.641 120.300 -0.467 0.000 2.640 239 Y HA 0.131 4.681 4.550 0.001 0.000 0.355 239 Y C 0.753 176.567 175.900 -0.144 0.000 1.088 239 Y CA -0.659 57.249 58.100 -0.320 0.000 1.443 239 Y CB -0.668 37.550 38.460 -0.403 0.000 1.224 239 Y HN 0.318 nan 8.280 nan 0.000 0.516 240 L N 3.421 124.685 121.223 0.067 0.000 2.410 240 L HA 0.102 4.443 4.340 0.001 0.000 0.273 240 L C 0.728 177.585 176.870 -0.022 0.000 1.152 240 L CA 0.166 54.936 54.840 -0.116 0.000 0.855 240 L CB 0.354 41.933 42.059 -0.799 0.000 1.129 240 L HN 0.620 nan 8.230 nan 0.000 0.463 241 N N 1.700 120.487 118.700 0.146 0.000 2.430 241 N HA 0.263 5.004 4.740 0.001 0.000 0.265 241 N C 0.415 176.049 175.510 0.207 0.000 1.100 241 N CA -0.117 53.035 53.050 0.171 0.000 0.961 241 N CB 1.159 39.735 38.487 0.148 0.000 1.075 241 N HN 0.765 nan 8.380 nan 0.000 0.478 242 A N 2.616 125.517 122.820 0.134 0.000 2.348 242 A HA 0.111 4.432 4.320 0.001 0.000 0.224 242 A C 0.581 178.189 177.584 0.041 0.000 1.227 242 A CA -0.098 51.972 52.037 0.054 0.000 0.885 242 A CB 0.053 19.054 19.000 0.002 0.000 0.933 242 A HN 0.603 nan 8.150 nan 0.000 0.506 243 T N 1.699 116.326 114.554 0.122 0.000 2.934 243 T HA 0.462 4.813 4.350 0.001 0.000 0.306 243 T C 0.234 174.926 174.700 -0.012 0.000 1.042 243 T CA 0.957 63.120 62.100 0.104 0.000 1.145 243 T CB 0.803 69.659 68.868 -0.021 0.000 0.982 243 T HN 0.837 nan 8.240 nan 0.000 0.544 244 A N 2.068 124.875 122.820 -0.020 0.000 2.536 244 A HA 0.781 5.102 4.320 0.001 0.000 0.293 244 A C 1.238 178.791 177.584 -0.053 0.000 1.119 244 A CA -0.269 51.721 52.037 -0.078 0.000 0.654 244 A CB 0.389 19.297 19.000 -0.152 0.000 1.291 244 A HN 0.763 nan 8.150 nan 0.000 0.439 245 G N -0.702 108.061 108.800 -0.061 0.000 2.421 245 G HA2 0.342 4.303 3.960 0.001 0.000 0.217 245 G HA3 0.342 4.303 3.960 0.001 0.000 0.217 245 G C 0.703 175.579 174.900 -0.039 0.000 1.143 245 G CA 1.893 46.966 45.100 -0.044 0.000 0.784 245 G HN 1.719 nan 8.290 nan 0.000 0.541 246 T N -3.993 110.530 114.554 -0.051 0.000 2.906 246 T HA 0.314 4.665 4.350 0.001 0.000 0.295 246 T C 0.919 175.581 174.700 -0.063 0.000 1.075 246 T CA -0.259 61.813 62.100 -0.048 0.000 1.005 246 T CB 1.411 70.251 68.868 -0.046 0.000 1.136 246 T HN -0.042 nan 8.240 nan 0.000 0.498 247 C N 0.846 120.112 119.300 -0.057 0.000 2.413 247 C HA -0.031 4.430 4.460 0.001 0.000 0.277 247 C C 2.586 177.514 174.990 -0.104 0.000 1.265 247 C CA 0.833 59.804 59.018 -0.078 0.000 1.752 247 C CB -1.370 26.331 27.740 -0.064 0.000 1.998 247 C HN 1.007 nan 8.230 nan 0.000 0.489 248 E N 0.957 121.105 120.200 -0.086 0.000 2.077 248 E HA -0.146 4.205 4.350 0.001 0.000 0.193 248 E C 2.233 178.759 176.600 -0.124 0.000 0.989 248 E CA 0.955 57.300 56.400 -0.091 0.000 0.800 248 E CB -0.302 29.361 29.700 -0.061 0.000 0.746 248 E HN 0.528 nan 8.360 nan 0.000 0.452 249 E N 0.126 120.248 120.200 -0.130 0.000 2.072 249 E HA -0.156 4.195 4.350 0.001 0.000 0.191 249 E C 2.002 178.433 176.600 -0.282 0.000 0.985 249 E CA 0.762 57.048 56.400 -0.191 0.000 0.801 249 E CB -0.246 29.352 29.700 -0.169 0.000 0.750 249 E HN 0.327 nan 8.360 nan 0.000 0.452 250 M N -0.208 119.259 119.600 -0.222 0.000 2.086 250 M HA -0.180 4.301 4.480 0.001 0.000 0.261 250 M C 1.943 178.074 176.300 -0.281 0.000 1.067 250 M CA 1.344 56.505 55.300 -0.231 0.000 1.116 250 M CB -0.015 32.484 32.600 -0.168 0.000 1.348 250 M HN 0.025 nan 8.290 nan 0.000 0.407 251 M N -0.014 119.420 119.600 -0.276 0.000 2.213 251 M HA -0.188 4.293 4.480 0.001 0.000 0.263 251 M C 2.007 178.113 176.300 -0.324 0.000 1.062 251 M CA 1.617 56.704 55.300 -0.355 0.000 1.105 251 M CB -1.178 31.247 32.600 -0.293 0.000 1.385 251 M HN 0.272 nan 8.290 nan 0.000 0.417 252 K N 0.139 120.384 120.400 -0.257 0.000 2.057 252 K HA -0.108 4.213 4.320 0.001 0.000 0.207 252 K C 2.111 178.564 176.600 -0.245 0.000 1.049 252 K CA 1.283 57.459 56.287 -0.186 0.000 0.931 252 K CB 0.085 32.501 32.500 -0.141 0.000 0.714 252 K HN 0.225 nan 8.250 nan 0.000 0.440 253 R N -0.370 119.820 120.500 -0.517 0.000 2.075 253 R HA -0.063 4.278 4.340 0.001 0.000 0.232 253 R C 2.337 178.631 176.300 -0.009 0.000 1.126 253 R CA 1.204 56.963 56.100 -0.569 0.000 0.963 253 R CB -0.318 29.511 30.300 -0.785 0.000 0.858 253 R HN 0.189 nan 8.270 nan 0.000 0.435 254 A N 1.228 123.974 122.820 -0.123 0.000 1.877 254 A HA -0.039 4.281 4.320 0.001 0.000 0.216 254 A C 1.426 179.039 177.584 0.049 0.000 1.186 254 A CA 0.797 52.800 52.037 -0.057 0.000 0.620 254 A CB -0.513 18.314 19.000 -0.289 0.000 0.822 254 A HN 0.052 nan 8.150 nan 0.000 0.443 258 K N 0.606 121.127 120.400 0.201 0.000 2.044 258 K HA -0.230 4.091 4.320 0.001 0.000 0.210 258 K C 1.598 178.288 176.600 0.149 0.000 1.049 258 K CA 2.188 58.580 56.287 0.174 0.000 0.927 258 K CB -0.171 32.460 32.500 0.217 0.000 0.713 258 K HN 0.462 nan 8.250 nan 0.000 0.443 259 E N 0.408 120.704 120.200 0.160 0.000 2.204 259 E HA -0.105 4.245 4.350 0.001 0.000 0.195 259 E C 1.810 178.489 176.600 0.131 0.000 0.990 259 E CA 0.915 57.394 56.400 0.132 0.000 0.821 259 E CB 0.044 29.823 29.700 0.131 0.000 0.750 259 E HN 0.350 nan 8.360 nan 0.000 0.477 260 L N -1.329 119.991 121.223 0.161 0.000 2.554 260 L HA 0.139 4.480 4.340 0.001 0.000 0.226 260 L C 1.509 178.509 176.870 0.218 0.000 1.137 260 L CA 0.422 55.370 54.840 0.179 0.000 0.863 260 L CB 0.057 42.227 42.059 0.186 0.000 0.985 260 L HN 0.391 nan 8.230 nan 0.000 0.451 261 G N 0.460 109.366 108.800 0.177 0.000 2.184 261 G HA2 -0.290 3.671 3.960 0.001 0.000 0.264 261 G HA3 -0.290 3.671 3.960 0.001 0.000 0.264 261 G C 0.489 175.518 174.900 0.216 0.000 0.975 261 G CA 0.338 45.551 45.100 0.189 0.000 0.642 261 G HN 0.289 nan 8.290 nan 0.000 0.536 262 V N -1.287 118.722 119.914 0.159 0.000 2.843 262 V HA 0.564 4.685 4.120 0.001 0.000 0.305 262 V C 0.131 176.266 176.094 0.068 0.000 1.065 262 V CA -0.559 61.787 62.300 0.077 0.000 1.116 262 V CB 1.089 32.906 31.823 -0.010 0.000 0.968 262 V HN 0.099 nan 8.190 nan 0.000 0.487 263 P HA 0.191 nan 4.420 nan 0.000 0.225 263 P C 0.182 177.488 177.300 0.011 0.000 1.156 263 P CA 0.870 64.002 63.100 0.053 0.000 0.787 263 P CB 0.406 32.166 31.700 0.100 0.000 0.802 264 I N -0.268 120.305 120.570 0.005 0.000 2.722 264 I HA 0.359 4.529 4.170 0.001 0.000 0.292 264 I C -1.135 174.952 176.117 -0.050 0.000 1.267 264 I CA -1.571 59.691 61.300 -0.063 0.000 1.036 264 I CB 2.309 40.220 38.000 -0.147 0.000 1.281 264 I HN -0.255 nan 8.210 nan 0.000 0.423 265 I N 4.558 125.082 120.570 -0.075 0.000 3.067 265 I HA 0.700 4.871 4.170 0.001 0.000 0.312 265 I C -0.894 175.189 176.117 -0.055 0.000 1.073 265 I CA -0.966 60.308 61.300 -0.044 0.000 1.016 265 I CB 2.205 40.199 38.000 -0.010 0.000 1.227 265 I HN 0.704 nan 8.210 nan 0.000 0.456 266 M N 1.691 121.310 119.600 0.033 0.000 2.690 266 M HA 0.661 5.141 4.480 0.001 0.000 0.302 266 M C -1.289 175.110 176.300 0.164 0.000 1.234 266 M CA -0.558 54.802 55.300 0.099 0.000 0.853 266 M CB 2.061 34.791 32.600 0.216 0.000 1.748 266 M HN 0.772 nan 8.290 nan 0.000 0.469 267 H N -0.575 118.514 119.070 0.032 0.000 2.974 267 H HA 0.446 5.003 4.556 0.001 0.000 0.366 267 H C -2.033 173.329 175.328 0.057 0.000 1.155 267 H CA -0.626 55.434 56.048 0.019 0.000 1.186 267 H CB 1.778 31.536 29.762 -0.007 0.000 1.799 267 H HN 0.770 nan 8.280 nan 0.000 0.541 268 D N 4.580 124.709 120.400 -0.452 0.000 2.441 268 D HA 0.021 4.662 4.640 0.001 0.000 0.221 268 D C 0.702 176.706 176.300 -0.494 0.000 1.156 268 D CA -0.197 53.621 54.000 -0.304 0.000 0.896 268 D CB -0.072 40.585 40.800 -0.238 0.000 1.028 268 D HN 0.600 nan 8.370 nan 0.000 0.509 269 Y N 1.169 121.226 120.300 -0.404 0.000 2.352 269 Y HA -0.014 4.536 4.550 0.001 0.000 0.292 269 Y C 1.257 176.891 175.900 -0.443 0.000 1.136 269 Y CA 0.776 58.658 58.100 -0.364 0.000 1.227 269 Y CB -0.475 37.851 38.460 -0.224 0.000 0.991 269 Y HN 0.235 nan 8.280 nan 0.000 0.545 270 L N 0.387 121.092 121.223 -0.864 0.000 2.168 270 L HA -0.048 4.293 4.340 0.001 0.000 0.203 270 L C 2.705 179.326 176.870 -0.416 0.000 1.078 270 L CA 1.469 55.844 54.840 -0.774 0.000 0.780 270 L CB -0.842 40.789 42.059 -0.713 0.000 0.939 270 L HN 0.390 nan 8.230 nan 0.000 0.451 271 T N -2.937 111.430 114.554 -0.312 0.000 2.857 271 T HA -0.055 4.295 4.350 0.001 0.000 0.266 271 T C 1.949 176.537 174.700 -0.185 0.000 1.048 271 T CA 0.946 62.923 62.100 -0.206 0.000 1.139 271 T CB -0.838 67.938 68.868 -0.153 0.000 0.874 271 T HN 0.331 nan 8.240 nan 0.000 0.455 272 G N 1.585 110.238 108.800 -0.245 0.000 2.404 272 G HA2 0.385 4.346 3.960 0.001 0.000 0.215 272 G HA3 0.385 4.346 3.960 0.001 0.000 0.215 272 G C 0.889 175.755 174.900 -0.056 0.000 1.174 272 G CA 0.336 45.359 45.100 -0.128 0.000 0.780 272 G HN 1.325 nan 8.290 nan 0.000 0.537 273 G N -2.162 106.553 108.800 -0.142 0.000 2.587 273 G HA2 -0.010 3.951 3.960 0.001 0.000 0.686 273 G HA3 -0.010 3.951 3.960 0.001 0.000 0.686 273 G C 0.130 174.989 174.900 -0.068 0.000 1.236 273 G CA -0.132 44.874 45.100 -0.155 0.000 0.820 273 G HN 0.095 nan 8.290 nan 0.000 0.645 274 F N 0.658 120.607 119.950 -0.001 0.000 2.134 274 F HA -0.019 4.509 4.527 0.001 0.000 0.299 274 F C 3.135 178.950 175.800 0.025 0.000 1.097 274 F CA 2.382 60.390 58.000 0.013 0.000 1.264 274 F CB -0.557 38.396 39.000 -0.077 0.000 1.001 274 F HN 0.565 nan 8.300 nan 0.000 0.479 275 T N -0.168 114.504 114.554 0.196 0.000 2.708 275 T HA -0.213 4.138 4.350 0.001 0.000 0.266 275 T C 2.309 177.049 174.700 0.066 0.000 1.037 275 T CA 1.454 63.618 62.100 0.108 0.000 1.146 275 T CB -0.736 68.176 68.868 0.073 0.000 0.865 275 T HN 0.285 nan 8.240 nan 0.000 0.435 276 A N 2.071 124.927 122.820 0.060 0.000 1.902 276 A HA -0.171 4.150 4.320 0.001 0.000 0.217 276 A C 2.264 179.821 177.584 -0.045 0.000 1.181 276 A CA 1.757 53.801 52.037 0.012 0.000 0.623 276 A CB -0.804 18.231 19.000 0.058 0.000 0.818 276 A HN 0.561 nan 8.150 nan 0.000 0.443 277 N N -0.639 118.101 118.700 0.067 0.000 2.188 277 N HA -0.130 4.610 4.740 0.001 0.000 0.184 277 N C 1.555 177.068 175.510 0.005 0.000 1.018 277 N CA 1.919 54.988 53.050 0.032 0.000 0.858 277 N CB -0.147 38.489 38.487 0.247 0.000 0.989 277 N HN 0.431 nan 8.380 nan 0.000 0.426 278 T N -0.101 114.489 114.554 0.060 0.000 2.777 278 T HA -0.038 4.313 4.350 0.001 0.000 0.266 278 T C 2.089 176.788 174.700 -0.002 0.000 1.040 278 T CA 1.034 63.159 62.100 0.042 0.000 1.141 278 T CB -0.285 68.621 68.868 0.063 0.000 0.868 278 T HN 0.176 nan 8.240 nan 0.000 0.444 279 S N 1.113 116.803 115.700 -0.017 0.000 2.370 279 S HA -0.065 4.405 4.470 0.001 0.000 0.226 279 S C 1.906 176.490 174.600 -0.027 0.000 1.033 279 S CA 0.849 59.034 58.200 -0.026 0.000 1.011 279 S CB -0.423 62.750 63.200 -0.044 0.000 0.852 279 S HN 0.266 nan 8.310 nan 0.000 0.457 280 L N 1.532 122.701 121.223 -0.090 0.000 2.072 280 L HA 0.139 4.479 4.340 0.001 0.000 0.205 280 L C 2.325 179.188 176.870 -0.011 0.000 1.079 280 L CA 1.699 56.485 54.840 -0.091 0.000 0.752 280 L CB -1.045 40.846 42.059 -0.280 0.000 0.906 280 L HN 0.229 nan 8.230 nan 0.000 0.436 281 A N -0.099 122.696 122.820 -0.042 0.000 1.908 281 A HA -0.233 4.088 4.320 0.001 0.000 0.218 281 A C 2.279 179.838 177.584 -0.041 0.000 1.181 281 A CA 2.329 54.339 52.037 -0.044 0.000 0.627 281 A CB -0.938 18.036 19.000 -0.044 0.000 0.818 281 A HN 0.508 nan 8.150 nan 0.000 0.445 282 I N -2.272 118.287 120.570 -0.018 0.000 2.315 282 I HA -0.234 3.937 4.170 0.001 0.000 0.248 282 I C 2.444 178.557 176.117 -0.007 0.000 1.117 282 I CA 1.579 62.865 61.300 -0.024 0.000 1.404 282 I CB -0.349 37.644 38.000 -0.012 0.000 1.071 282 I HN 0.550 nan 8.210 nan 0.000 0.419 283 Y N 1.027 121.288 120.300 -0.065 0.000 2.181 283 Y HA -0.302 4.249 4.550 0.001 0.000 0.288 283 Y C 2.695 178.574 175.900 -0.035 0.000 1.146 283 Y CA 1.509 59.580 58.100 -0.048 0.000 1.164 283 Y CB -0.400 38.029 38.460 -0.052 0.000 0.982 283 Y HN 0.186 nan 8.280 nan 0.000 0.515 284 C N 0.228 119.533 119.300 0.009 0.000 2.432 284 C HA -0.147 4.314 4.460 0.001 0.000 0.277 284 C C 2.725 177.652 174.990 -0.106 0.000 1.249 284 C CA 1.417 60.417 59.018 -0.030 0.000 1.725 284 C CB -1.264 26.496 27.740 0.033 0.000 2.028 284 C HN 0.581 nan 8.230 nan 0.000 0.477 285 R N 1.866 122.255 120.500 -0.185 0.000 2.091 285 R HA -0.126 4.215 4.340 0.001 0.000 0.238 285 R C 1.379 177.586 176.300 -0.156 0.000 1.136 285 R CA 2.067 58.020 56.100 -0.245 0.000 0.959 285 R CB -0.876 29.296 30.300 -0.213 0.000 0.856 285 R HN 0.447 nan 8.270 nan 0.000 0.437 286 D N -0.512 119.779 120.400 -0.182 0.000 2.371 286 D HA -0.024 4.617 4.640 0.001 0.000 0.221 286 D C 0.285 176.458 176.300 -0.211 0.000 0.986 286 D CA 0.751 54.644 54.000 -0.179 0.000 0.899 286 D CB 0.088 40.779 40.800 -0.181 0.000 0.902 286 D HN 0.373 nan 8.370 nan 0.000 0.530 287 N N -0.947 117.603 118.700 -0.250 0.000 2.116 287 N HA 0.097 4.838 4.740 0.001 0.000 0.230 287 N C 0.616 176.082 175.510 -0.075 0.000 1.326 287 N CA 0.265 53.181 53.050 -0.223 0.000 0.867 287 N CB 1.847 40.054 38.487 -0.466 0.000 1.174 287 N HN 0.022 nan 8.380 nan 0.000 0.506 288 G N 2.011 110.827 108.800 0.028 0.000 2.323 288 G HA2 -0.269 3.691 3.960 0.001 0.000 0.292 288 G HA3 -0.269 3.691 3.960 0.001 0.000 0.292 288 G C -0.222 174.713 174.900 0.058 0.000 1.040 288 G CA 0.218 45.401 45.100 0.138 0.000 0.942 288 G HN 0.250 nan 8.290 nan 0.000 0.506 289 L N -0.316 120.988 121.223 0.135 0.000 2.307 289 L HA 0.535 4.876 4.340 0.001 0.000 0.282 289 L C 1.130 178.055 176.870 0.091 0.000 1.051 289 L CA -1.058 53.824 54.840 0.069 0.000 0.804 289 L CB 1.239 43.347 42.059 0.082 0.000 1.197 289 L HN 0.114 nan 8.230 nan 0.000 0.431 290 L N 3.855 125.044 121.223 -0.058 0.000 2.397 290 L HA 0.224 4.564 4.340 0.001 0.000 0.271 290 L C -0.429 176.357 176.870 -0.140 0.000 1.148 290 L CA -0.297 54.486 54.840 -0.094 0.000 0.825 290 L CB 1.011 42.944 42.059 -0.210 0.000 1.117 290 L HN 0.381 nan 8.230 nan 0.000 0.456 291 L N 3.066 124.186 121.223 -0.172 0.000 2.342 291 L HA 0.331 4.672 4.340 0.001 0.000 0.276 291 L C -0.579 176.093 176.870 -0.329 0.000 0.997 291 L CA -0.257 54.469 54.840 -0.189 0.000 0.838 291 L CB 1.024 43.025 42.059 -0.097 0.000 1.224 291 L HN 0.446 nan 8.230 nan 0.000 0.416 292 H N 5.610 124.376 119.070 -0.507 0.000 2.652 292 H HA 0.504 5.061 4.556 0.001 0.000 0.298 292 H C -0.756 174.445 175.328 -0.212 0.000 1.076 292 H CA -0.519 55.188 56.048 -0.568 0.000 1.360 292 H CB 0.561 29.664 29.762 -1.097 0.000 1.421 292 H HN 0.495 nan 8.280 nan 0.000 0.464 293 I N 5.869 126.120 120.570 -0.531 0.000 2.315 293 I HA 0.097 4.268 4.170 0.001 0.000 0.291 293 I C 0.402 176.368 176.117 -0.251 0.000 1.006 293 I CA -0.290 60.836 61.300 -0.290 0.000 1.265 293 I CB 0.537 38.344 38.000 -0.322 0.000 1.387 293 I HN 0.728 nan 8.210 nan 0.000 0.475 294 H N 7.586 126.572 119.070 -0.141 0.000 2.467 294 H HA 0.315 4.872 4.556 0.001 0.000 0.331 294 H C 0.425 175.710 175.328 -0.072 0.000 1.120 294 H CA -0.439 55.481 56.048 -0.213 0.000 1.270 294 H CB 1.424 31.083 29.762 -0.173 0.000 1.466 294 H HN 0.600 nan 8.280 nan 0.000 0.504 295 R N 3.032 123.285 120.500 -0.410 0.000 2.515 295 R HA 0.396 4.736 4.340 0.001 0.000 0.294 295 R C 0.224 176.496 176.300 -0.046 0.000 1.021 295 R CA -0.297 55.753 56.100 -0.083 0.000 1.081 295 R CB 0.007 30.219 30.300 -0.147 0.000 1.263 295 R HN 0.412 nan 8.270 nan 0.000 0.557 296 A N 1.823 124.746 122.820 0.172 0.000 2.610 296 A HA -0.074 4.247 4.320 0.001 0.000 0.250 296 A C 0.959 178.565 177.584 0.037 0.000 0.978 296 A CA 1.315 53.471 52.037 0.198 0.000 0.827 296 A CB -0.347 18.743 19.000 0.151 0.000 0.867 296 A HN 0.867 nan 8.150 nan 0.000 0.495 297 M N 0.500 120.125 119.600 0.042 0.000 3.007 297 M HA -0.295 4.186 4.480 0.001 0.000 0.210 297 M C 1.005 177.286 176.300 -0.030 0.000 0.585 297 M CA 1.873 57.154 55.300 -0.031 0.000 0.804 297 M CB -2.112 30.440 32.600 -0.079 0.000 2.870 297 M HN 1.280 nan 8.290 nan 0.000 0.297 298 H N -0.953 118.062 119.070 -0.091 0.000 2.352 298 H HA 0.180 4.737 4.556 0.001 0.000 0.299 298 H C 1.782 177.089 175.328 -0.036 0.000 1.097 298 H CA 1.948 57.970 56.048 -0.042 0.000 1.311 298 H CB -0.530 29.247 29.762 0.025 0.000 1.377 298 H HN 0.491 nan 8.280 nan 0.000 0.504 299 A N 1.263 123.617 122.820 -0.777 0.000 2.070 299 A HA -0.083 4.238 4.320 0.001 0.000 0.220 299 A C 2.522 179.967 177.584 -0.232 0.000 1.159 299 A CA 1.372 53.068 52.037 -0.568 0.000 0.656 299 A CB -0.847 17.823 19.000 -0.550 0.000 0.800 299 A HN 0.375 nan 8.150 nan 0.000 0.453 300 V N -0.483 119.335 119.914 -0.159 0.000 2.594 300 V HA -0.227 3.894 4.120 0.001 0.000 0.253 300 V C 2.106 178.173 176.094 -0.044 0.000 1.069 300 V CA 2.071 64.323 62.300 -0.080 0.000 1.082 300 V CB -0.545 31.241 31.823 -0.062 0.000 0.680 300 V HN 0.615 nan 8.190 nan 0.000 0.469 301 I N 0.243 120.784 120.570 -0.048 0.000 3.616 301 I HA 0.047 4.217 4.170 0.001 0.000 0.296 301 I C 1.589 177.708 176.117 0.003 0.000 1.226 301 I CA 0.805 62.094 61.300 -0.017 0.000 1.394 301 I CB 0.115 38.111 38.000 -0.006 0.000 1.171 301 I HN 0.420 nan 8.210 nan 0.000 0.442 302 D N -0.418 119.976 120.400 -0.011 0.000 2.469 302 D HA -0.016 4.624 4.640 0.001 0.000 0.213 302 D C 1.844 178.136 176.300 -0.013 0.000 1.135 302 D CA -0.017 53.989 54.000 0.010 0.000 0.834 302 D CB 0.040 40.880 40.800 0.067 0.000 1.009 302 D HN -0.091 nan 8.370 nan 0.000 0.507 303 R N 0.364 120.842 120.500 -0.038 0.000 2.062 303 R HA 0.047 4.387 4.340 0.001 0.000 0.229 303 R C 0.530 176.848 176.300 0.031 0.000 1.128 303 R CA 1.264 57.346 56.100 -0.031 0.000 0.960 303 R CB -0.311 29.948 30.300 -0.069 0.000 0.855 303 R HN 0.031 nan 8.270 nan 0.000 0.432 304 Q N 0.320 120.153 119.800 0.055 0.000 2.299 304 Q HA 0.080 4.421 4.340 0.001 0.000 0.246 304 Q C 0.492 176.563 176.000 0.119 0.000 0.935 304 Q CA 0.138 55.992 55.803 0.084 0.000 0.887 304 Q CB 1.139 29.934 28.738 0.095 0.000 1.223 304 Q HN 0.248 nan 8.270 nan 0.000 0.439 305 R N 1.832 122.402 120.500 0.117 0.000 2.127 305 R HA -0.072 4.268 4.340 0.001 0.000 0.217 305 R C 1.287 177.664 176.300 0.128 0.000 1.074 305 R CA 1.168 57.346 56.100 0.131 0.000 0.991 305 R CB 0.282 30.647 30.300 0.108 0.000 0.895 305 R HN 0.671 nan 8.270 nan 0.000 0.450 306 N N -0.971 117.807 118.700 0.131 0.000 2.395 306 N HA -0.118 4.622 4.740 0.001 0.000 0.175 306 N C -0.218 175.420 175.510 0.213 0.000 1.029 306 N CA 0.826 53.960 53.050 0.139 0.000 0.897 306 N CB 0.036 38.591 38.487 0.113 0.000 0.991 306 N HN 0.225 nan 8.380 nan 0.000 0.441 307 H N -1.208 117.930 119.070 0.113 0.000 2.894 307 H HA 0.604 5.160 4.556 0.001 0.000 0.367 307 H C 0.121 175.562 175.328 0.189 0.000 1.144 307 H CA 0.488 56.635 56.048 0.164 0.000 1.180 307 H CB 1.671 31.518 29.762 0.142 0.000 1.758 307 H HN 0.392 nan 8.280 nan 0.000 0.541 308 G N 2.277 111.016 108.800 -0.101 0.000 2.265 308 G HA2 0.003 3.963 3.960 0.001 0.000 0.246 308 G HA3 0.003 3.963 3.960 0.001 0.000 0.246 308 G C -1.571 173.357 174.900 0.047 0.000 1.299 308 G CA -0.348 44.722 45.100 -0.050 0.000 1.117 308 G HN 0.641 nan 8.290 nan 0.000 0.485 309 I N 1.042 121.609 120.570 -0.005 0.000 2.466 309 I HA 0.345 4.515 4.170 0.001 0.000 0.289 309 I C 0.360 176.529 176.117 0.086 0.000 1.026 309 I CA -0.878 60.430 61.300 0.013 0.000 1.078 309 I CB 1.954 39.898 38.000 -0.093 0.000 1.249 309 I HN 0.679 nan 8.210 nan 0.000 0.429 310 H N 4.705 123.799 119.070 0.039 0.000 2.771 310 H HA 0.011 4.567 4.556 0.001 0.000 0.364 310 H C 0.412 175.814 175.328 0.124 0.000 1.133 310 H CA 0.556 56.667 56.048 0.106 0.000 1.423 310 H CB 1.084 30.908 29.762 0.104 0.000 1.425 310 H HN 0.655 nan 8.280 nan 0.000 0.606 311 F N 4.490 124.178 119.950 -0.437 0.000 2.202 311 F HA -0.200 4.328 4.527 0.001 0.000 0.301 311 F C 2.616 178.338 175.800 -0.130 0.000 1.082 311 F CA 1.693 59.529 58.000 -0.274 0.000 1.313 311 F CB -0.083 38.639 39.000 -0.464 0.000 1.024 311 F HN 0.660 nan 8.300 nan 0.000 0.495 312 R N -0.389 120.170 120.500 0.098 0.000 2.096 312 R HA -0.111 4.230 4.340 0.001 0.000 0.235 312 R C 1.842 178.123 176.300 -0.032 0.000 1.127 312 R CA 1.867 58.013 56.100 0.076 0.000 0.968 312 R CB -1.487 29.072 30.300 0.432 0.000 0.861 312 R HN 0.279 nan 8.270 nan 0.000 0.440 313 V N 2.179 122.113 119.914 0.033 0.000 2.358 313 V HA -0.187 3.934 4.120 0.001 0.000 0.246 313 V C 2.474 178.597 176.094 0.048 0.000 1.047 313 V CA 1.620 63.938 62.300 0.031 0.000 1.035 313 V CB -0.439 31.386 31.823 0.004 0.000 0.658 313 V HN 0.290 nan 8.190 nan 0.000 0.452 314 L N 0.018 121.214 121.223 -0.046 0.000 2.265 314 L HA -0.128 4.213 4.340 0.001 0.000 0.215 314 L C 2.529 179.271 176.870 -0.214 0.000 1.117 314 L CA 1.281 56.134 54.840 0.022 0.000 0.782 314 L CB -0.703 41.362 42.059 0.010 0.000 0.914 314 L HN 0.377 nan 8.230 nan 0.000 0.441 315 A N -0.132 122.343 122.820 -0.575 0.000 1.911 315 A HA -0.079 4.242 4.320 0.001 0.000 0.212 315 A C 2.325 179.803 177.584 -0.177 0.000 1.189 315 A CA 0.645 52.372 52.037 -0.517 0.000 0.639 315 A CB -0.104 18.495 19.000 -0.668 0.000 0.839 315 A HN 0.199 nan 8.150 nan 0.000 0.449 316 K N 0.137 120.530 120.400 -0.012 0.000 2.032 316 K HA -0.152 4.168 4.320 0.001 0.000 0.209 316 K C 2.327 178.977 176.600 0.084 0.000 1.048 316 K CA 1.279 57.693 56.287 0.211 0.000 0.927 316 K CB -0.400 32.259 32.500 0.264 0.000 0.712 316 K HN 0.416 nan 8.250 nan 0.000 0.441 317 A N 2.149 124.995 122.820 0.043 0.000 1.892 317 A HA -0.207 4.114 4.320 0.001 0.000 0.218 317 A C 2.086 179.660 177.584 -0.017 0.000 1.188 317 A CA 1.443 53.449 52.037 -0.051 0.000 0.631 317 A CB -0.752 18.227 19.000 -0.035 0.000 0.822 317 A HN 0.310 nan 8.150 nan 0.000 0.447 318 L N -0.436 120.795 121.223 0.012 0.000 2.083 318 L HA -0.135 4.206 4.340 0.001 0.000 0.209 318 L C 2.461 179.201 176.870 -0.217 0.000 1.083 318 L CA 2.384 57.113 54.840 -0.185 0.000 0.752 318 L CB -0.862 40.793 42.059 -0.672 0.000 0.899 318 L HN 0.571 nan 8.230 nan 0.000 0.433 319 R N -0.529 119.825 120.500 -0.242 0.000 2.096 319 R HA -0.182 4.159 4.340 0.001 0.000 0.235 319 R C 2.261 178.402 176.300 -0.264 0.000 1.127 319 R CA 1.765 57.666 56.100 -0.331 0.000 0.968 319 R CB -0.087 29.862 30.300 -0.585 0.000 0.861 319 R HN 0.379 nan 8.270 nan 0.000 0.440 320 M N -0.993 118.476 119.600 -0.218 0.000 2.193 320 M HA -0.079 4.402 4.480 0.001 0.000 0.265 320 M C 2.454 178.730 176.300 -0.040 0.000 1.071 320 M CA 1.445 56.582 55.300 -0.271 0.000 1.140 320 M CB -0.088 32.095 32.600 -0.694 0.000 1.369 320 M HN 0.103 nan 8.290 nan 0.000 0.423 321 S N -0.174 115.519 115.700 -0.011 0.000 2.368 321 S HA 0.055 4.526 4.470 0.001 0.000 0.225 321 S C 0.857 175.481 174.600 0.040 0.000 1.030 321 S CA 1.297 59.558 58.200 0.101 0.000 0.999 321 S CB -0.345 62.984 63.200 0.215 0.000 0.844 321 S HN 0.654 nan 8.310 nan 0.000 0.459 322 G N -1.467 107.306 108.800 -0.044 0.000 3.162 322 G HA2 0.426 4.387 3.960 0.001 0.000 0.599 322 G HA3 0.426 4.387 3.960 0.001 0.000 0.599 322 G C -0.327 174.498 174.900 -0.124 0.000 1.335 322 G CA -0.453 44.598 45.100 -0.081 0.000 1.091 322 G HN 1.024 nan 8.290 nan 0.000 0.570 323 G N 0.723 109.430 108.800 -0.156 0.000 2.691 323 G HA2 0.586 4.547 3.960 0.001 0.000 0.298 323 G HA3 0.586 4.547 3.960 0.001 0.000 0.298 323 G C -0.129 174.685 174.900 -0.142 0.000 1.471 323 G CA 0.158 45.157 45.100 -0.169 0.000 0.912 323 G HN 0.308 nan 8.290 nan 0.000 0.553 324 D N -0.261 120.066 120.400 -0.120 0.000 2.213 324 D HA 0.081 4.721 4.640 0.001 0.000 0.205 324 D C 0.406 176.772 176.300 0.109 0.000 0.961 324 D CA 1.141 55.121 54.000 -0.034 0.000 0.853 324 D CB 0.247 41.010 40.800 -0.061 0.000 0.967 324 D HN 0.557 nan 8.370 nan 0.000 0.496 325 H N -0.836 118.101 119.070 -0.221 0.000 2.637 325 H HA 0.509 5.066 4.556 0.001 0.000 0.363 325 H C -1.180 173.942 175.328 -0.344 0.000 1.131 325 H CA -1.034 54.858 56.048 -0.259 0.000 1.183 325 H CB 2.676 32.260 29.762 -0.298 0.000 1.637 325 H HN -0.120 nan 8.280 nan 0.000 0.531 326 L N 2.242 123.373 121.223 -0.154 0.000 2.455 326 L HA 0.227 4.568 4.340 0.001 0.000 0.264 326 L C -0.770 176.040 176.870 -0.099 0.000 0.968 326 L CA -0.437 54.306 54.840 -0.161 0.000 0.827 326 L CB 1.617 43.590 42.059 -0.145 0.000 1.317 326 L HN 0.706 nan 8.230 nan 0.000 0.407 327 H N 2.763 121.687 119.070 -0.242 0.000 3.004 327 H HA 0.123 4.679 4.556 0.001 0.000 0.316 327 H C 0.449 175.642 175.328 -0.225 0.000 1.014 327 H CA 0.845 56.744 56.048 -0.248 0.000 1.454 327 H CB 0.989 30.535 29.762 -0.360 0.000 1.472 327 H HN 0.780 nan 8.280 nan 0.000 0.571 328 S N 2.196 117.837 115.700 -0.097 0.000 2.512 328 S HA 0.265 4.735 4.470 0.001 0.000 0.216 328 S C 1.082 175.736 174.600 0.090 0.000 1.006 328 S CA 0.114 58.373 58.200 0.098 0.000 0.915 328 S CB 0.932 64.298 63.200 0.276 0.000 0.824 328 S HN 1.039 nan 8.310 nan 0.000 0.497 329 G N 0.962 109.726 108.800 -0.061 0.000 2.712 329 G HA2 -0.083 3.877 3.960 0.001 0.000 0.683 329 G HA3 -0.083 3.877 3.960 0.001 0.000 0.683 329 G C 0.260 175.194 174.900 0.057 0.000 1.320 329 G CA 0.126 45.218 45.100 -0.012 0.000 0.847 329 G HN 0.921 nan 8.290 nan 0.000 0.553 330 T N -3.294 111.286 114.554 0.043 0.000 2.955 330 T HA 0.459 4.809 4.350 0.001 0.000 0.251 330 T C 1.839 176.603 174.700 0.107 0.000 1.002 330 T CA 1.355 63.495 62.100 0.068 0.000 0.970 330 T CB 0.472 69.275 68.868 -0.108 0.000 1.091 330 T HN 2.260 nan 8.240 nan 0.000 0.495 331 V N 0.900 120.853 119.914 0.064 0.000 0.516 331 V HA -0.337 3.784 4.120 0.001 0.000 0.092 331 V C 2.099 178.216 176.094 0.037 0.000 2.243 331 V CA 2.045 64.370 62.300 0.042 0.000 3.573 331 V CB -1.926 29.906 31.823 0.016 0.000 0.862 331 V HN 0.702 nan 8.190 nan 0.000 0.902 332 V N -1.181 118.742 119.914 0.015 0.000 3.608 332 V HA 0.647 4.768 4.120 0.001 0.000 0.269 332 V C 1.300 177.357 176.094 -0.062 0.000 1.245 332 V CA 1.473 63.799 62.300 0.043 0.000 1.138 332 V CB -0.056 31.839 31.823 0.121 0.000 0.841 332 V HN 0.922 nan 8.190 nan 0.000 0.451 333 G N 1.408 110.066 108.800 -0.236 0.000 2.630 333 G HA2 0.260 4.221 3.960 0.001 0.000 0.223 333 G HA3 0.260 4.221 3.960 0.001 0.000 0.223 333 G C 0.752 175.236 174.900 -0.693 0.000 1.434 333 G CA 0.064 44.873 45.100 -0.484 0.000 1.057 333 G HN 0.506 nan 8.290 nan 0.000 0.570 334 K N -1.205 118.619 120.400 -0.960 0.000 2.366 334 K HA 0.184 4.504 4.320 0.001 0.000 0.198 334 K C 0.051 176.451 176.600 -0.333 0.000 1.044 334 K CA 0.349 56.087 56.287 -0.915 0.000 0.973 334 K CB -0.207 31.836 32.500 -0.761 0.000 0.767 334 K HN 0.157 nan 8.250 nan 0.000 0.475 335 L N 2.670 123.750 121.223 -0.238 0.000 2.334 335 L HA 0.257 4.598 4.340 0.001 0.000 0.276 335 L C -0.323 176.502 176.870 -0.074 0.000 1.014 335 L CA -1.216 53.548 54.840 -0.128 0.000 0.815 335 L CB 1.787 43.790 42.059 -0.093 0.000 1.268 335 L HN 0.151 nan 8.230 nan 0.000 0.428 336 E N 1.240 121.409 120.200 -0.052 0.000 2.438 336 E HA 0.476 4.826 4.350 0.001 0.000 0.261 336 E C 0.049 176.665 176.600 0.028 0.000 1.103 336 E CA 0.064 56.460 56.400 -0.008 0.000 0.959 336 E CB 0.623 30.314 29.700 -0.014 0.000 0.958 336 E HN 0.756 nan 8.360 nan 0.000 0.447 337 G N 1.663 110.499 108.800 0.059 0.000 2.110 337 G HA2 0.053 4.014 3.960 0.001 0.000 0.218 337 G HA3 0.053 4.014 3.960 0.001 0.000 0.218 337 G C -1.216 173.731 174.900 0.078 0.000 2.460 337 G CA -0.731 44.425 45.100 0.094 0.000 0.838 337 G HN 0.568 nan 8.290 nan 0.000 0.534 338 E N 2.308 122.563 120.200 0.091 0.000 2.373 338 E HA 0.154 4.505 4.350 0.001 0.000 0.267 338 E C 1.464 178.071 176.600 0.012 0.000 1.032 338 E CA -0.583 55.855 56.400 0.063 0.000 0.889 338 E CB 0.972 30.723 29.700 0.085 0.000 0.984 338 E HN 0.587 nan 8.360 nan 0.000 0.425 339 R N 3.470 123.962 120.500 -0.013 0.000 2.073 339 R HA -0.163 4.178 4.340 0.001 0.000 0.234 339 R C 1.429 177.667 176.300 -0.102 0.000 1.134 339 R CA 1.467 57.526 56.100 -0.068 0.000 0.952 339 R CB 0.106 30.373 30.300 -0.054 0.000 0.850 339 R HN 0.501 nan 8.270 nan 0.000 0.433 340 E N 0.206 120.369 120.200 -0.061 0.000 2.028 340 E HA -0.129 4.221 4.350 0.001 0.000 0.191 340 E C 2.129 178.681 176.600 -0.080 0.000 0.988 340 E CA 1.042 57.403 56.400 -0.065 0.000 0.799 340 E CB -0.491 29.189 29.700 -0.034 0.000 0.755 340 E HN 0.172 nan 8.360 nan 0.000 0.447 341 V N 1.444 121.337 119.914 -0.036 0.000 2.282 341 V HA -0.280 3.841 4.120 0.001 0.000 0.249 341 V C 2.381 178.320 176.094 -0.258 0.000 1.057 341 V CA 2.271 64.577 62.300 0.010 0.000 1.032 341 V CB -0.701 31.240 31.823 0.197 0.000 0.645 341 V HN 0.319 nan 8.190 nan 0.000 0.447 342 T N -0.006 114.267 114.554 -0.468 0.000 2.720 342 T HA -0.173 4.178 4.350 0.001 0.000 0.268 342 T C 1.811 176.067 174.700 -0.740 0.000 1.037 342 T CA 1.623 63.086 62.100 -1.061 0.000 1.144 342 T CB -0.302 68.286 68.868 -0.466 0.000 0.864 342 T HN 0.310 nan 8.240 nan 0.000 0.444 343 L N 0.504 121.506 121.223 -0.369 0.000 2.191 343 L HA 0.009 4.350 4.340 0.001 0.000 0.212 343 L C 2.751 179.540 176.870 -0.134 0.000 1.103 343 L CA 1.091 55.796 54.840 -0.225 0.000 0.769 343 L CB -0.618 41.342 42.059 -0.164 0.000 0.908 343 L HN 0.340 nan 8.230 nan 0.000 0.438 344 G N 0.458 109.176 108.800 -0.136 0.000 2.424 344 G HA2 -0.285 3.675 3.960 0.001 0.000 0.214 344 G HA3 -0.285 3.675 3.960 0.001 0.000 0.214 344 G C 1.304 176.276 174.900 0.121 0.000 1.202 344 G CA 0.809 45.913 45.100 0.007 0.000 0.793 344 G HN 0.440 nan 8.290 nan 0.000 0.534 345 F N 1.200 121.264 119.950 0.191 0.000 2.293 345 F HA 0.135 4.663 4.527 0.001 0.000 0.300 345 F C 2.199 178.115 175.800 0.194 0.000 1.086 345 F CA 0.129 58.260 58.000 0.218 0.000 1.375 345 F CB -1.084 38.094 39.000 0.297 0.000 1.045 345 F HN 0.003 nan 8.300 nan 0.000 0.516 346 V N 1.248 121.353 119.914 0.318 0.000 2.392 346 V HA -0.277 3.844 4.120 0.001 0.000 0.249 346 V C 2.218 178.433 176.094 0.202 0.000 1.059 346 V CA 2.353 64.824 62.300 0.285 0.000 1.051 346 V CB -0.733 31.213 31.823 0.206 0.000 0.658 346 V HN 0.263 nan 8.190 nan 0.000 0.455 347 D N -0.055 120.444 120.400 0.164 0.000 2.097 347 D HA -0.079 4.562 4.640 0.001 0.000 0.197 347 D C 2.156 178.579 176.300 0.205 0.000 0.984 347 D CA 1.042 55.134 54.000 0.153 0.000 0.826 347 D CB -0.267 40.608 40.800 0.126 0.000 0.973 347 D HN 0.323 nan 8.370 nan 0.000 0.460 348 L N -0.017 121.366 121.223 0.268 0.000 2.129 348 L HA -0.197 4.143 4.340 0.001 0.000 0.212 348 L C 2.518 179.535 176.870 0.245 0.000 1.087 348 L CA 0.942 56.011 54.840 0.382 0.000 0.757 348 L CB -0.338 41.953 42.059 0.386 0.000 0.896 348 L HN 0.082 nan 8.230 nan 0.000 0.434 349 M N -1.373 118.301 119.600 0.123 0.000 2.156 349 M HA -0.118 4.362 4.480 0.001 0.000 0.264 349 M C 2.357 178.568 176.300 -0.148 0.000 1.067 349 M CA 1.613 56.880 55.300 -0.055 0.000 1.131 349 M CB -0.122 32.507 32.600 0.048 0.000 1.368 349 M HN 0.122 nan 8.290 nan 0.000 0.416 350 R N -0.468 120.016 120.500 -0.027 0.000 2.175 350 R HA 0.083 4.424 4.340 0.001 0.000 0.202 350 R C -0.084 176.210 176.300 -0.010 0.000 1.018 350 R CA 0.394 56.480 56.100 -0.024 0.000 1.029 350 R CB 0.217 30.541 30.300 0.040 0.000 0.959 350 R HN 0.282 nan 8.270 nan 0.000 0.480 351 D N 0.177 120.614 120.400 0.062 0.000 2.294 351 D HA 0.018 4.658 4.640 0.001 0.000 0.250 351 D C 0.151 176.579 176.300 0.214 0.000 1.058 351 D CA -0.123 53.958 54.000 0.135 0.000 0.950 351 D CB 1.504 42.410 40.800 0.176 0.000 1.158 351 D HN -0.105 nan 8.370 nan 0.000 0.453 352 D N -0.619 119.917 120.400 0.226 0.000 2.234 352 D HA -0.103 4.538 4.640 0.001 0.000 0.205 352 D C -0.587 175.956 176.300 0.404 0.000 0.962 352 D CA 0.819 54.999 54.000 0.300 0.000 0.855 352 D CB 0.253 41.185 40.800 0.220 0.000 0.951 352 D HN 0.325 nan 8.370 nan 0.000 0.500 353 Y N -0.493 119.926 120.300 0.199 0.000 2.362 353 Y HA 0.419 4.969 4.550 0.001 0.000 0.326 353 Y C -1.673 174.301 175.900 0.123 0.000 1.083 353 Y CA -0.950 57.230 58.100 0.133 0.000 1.073 353 Y CB 1.571 40.081 38.460 0.083 0.000 1.211 353 Y HN -0.361 nan 8.280 nan 0.000 0.433 354 V N 5.879 125.780 119.914 -0.022 0.000 2.443 354 V HA 0.325 4.445 4.120 0.001 0.000 0.293 354 V C -0.507 175.576 176.094 -0.017 0.000 1.021 354 V CA -0.973 61.366 62.300 0.066 0.000 0.848 354 V CB 1.470 33.358 31.823 0.109 0.000 0.998 354 V HN 0.665 nan 8.190 nan 0.000 0.424 355 E N 2.795 123.057 120.200 0.103 0.000 2.354 355 E HA 0.151 4.501 4.350 0.001 0.000 0.269 355 E C 0.061 176.692 176.600 0.051 0.000 1.036 355 E CA -0.475 55.985 56.400 0.100 0.000 0.876 355 E CB 1.238 31.024 29.700 0.143 0.000 1.009 355 E HN 0.605 nan 8.360 nan 0.000 0.416 356 K N 2.216 122.639 120.400 0.039 0.000 2.530 356 K HA -0.136 4.185 4.320 0.001 0.000 0.280 356 K C -0.563 176.032 176.600 -0.009 0.000 1.004 356 K CA 0.652 56.947 56.287 0.015 0.000 1.071 356 K CB 0.321 32.829 32.500 0.013 0.000 0.876 356 K HN 0.283 nan 8.250 nan 0.000 0.487 357 D N 3.996 124.371 120.400 -0.042 0.000 2.351 357 D HA 0.151 4.792 4.640 0.001 0.000 0.235 357 D C 0.135 176.362 176.300 -0.121 0.000 1.331 357 D CA -0.504 53.461 54.000 -0.058 0.000 0.959 357 D CB 0.596 41.383 40.800 -0.022 0.000 1.432 357 D HN 0.526 nan 8.370 nan 0.000 0.544 358 R N 0.917 121.310 120.500 -0.178 0.000 2.241 358 R HA -0.070 4.270 4.340 0.001 0.000 0.224 358 R C 1.783 177.963 176.300 -0.199 0.000 1.101 358 R CA 1.044 56.973 56.100 -0.285 0.000 0.995 358 R CB -0.486 29.636 30.300 -0.296 0.000 0.870 358 R HN 0.500 nan 8.270 nan 0.000 0.463 359 S N 0.085 115.714 115.700 -0.119 0.000 2.481 359 S HA -0.045 4.425 4.470 0.001 0.000 0.231 359 S C 1.612 176.174 174.600 -0.064 0.000 0.996 359 S CA 0.590 58.743 58.200 -0.079 0.000 0.942 359 S CB 0.067 63.235 63.200 -0.053 0.000 0.768 359 S HN 0.260 nan 8.310 nan 0.000 0.520 360 R N -0.186 120.274 120.500 -0.067 0.000 2.472 360 R HA 0.320 4.661 4.340 0.001 0.000 0.279 360 R C 1.277 177.562 176.300 -0.025 0.000 0.953 360 R CA 0.373 56.451 56.100 -0.037 0.000 1.088 360 R CB 0.439 30.726 30.300 -0.022 0.000 1.197 360 R HN 0.522 nan 8.270 nan 0.000 0.536 361 G N 1.598 110.341 108.800 -0.095 0.000 2.162 361 G HA2 -0.280 3.681 3.960 0.001 0.000 0.260 361 G HA3 -0.280 3.681 3.960 0.001 0.000 0.260 361 G C 0.179 175.081 174.900 0.003 0.000 0.976 361 G CA -0.126 44.920 45.100 -0.090 0.000 0.655 361 G HN 0.265 nan 8.290 nan 0.000 0.533 362 I N 1.192 121.743 120.570 -0.033 0.000 2.329 362 I HA 0.257 4.428 4.170 0.001 0.000 0.295 362 I C 1.300 177.387 176.117 -0.051 0.000 1.109 362 I CA -0.665 60.669 61.300 0.055 0.000 1.297 362 I CB 0.255 38.290 38.000 0.058 0.000 1.433 362 I HN 0.098 nan 8.210 nan 0.000 0.509 363 Y N 5.409 125.603 120.300 -0.177 0.000 2.519 363 Y HA 0.173 4.724 4.550 0.001 0.000 0.287 363 Y C 0.174 175.689 175.900 -0.640 0.000 1.128 363 Y CA 0.280 58.114 58.100 -0.442 0.000 1.282 363 Y CB -0.114 37.927 38.460 -0.699 0.000 1.027 363 Y HN 0.303 nan 8.280 nan 0.000 0.551 364 F N -2.073 117.982 119.950 0.176 0.000 2.613 364 F HA 0.384 4.912 4.527 0.002 0.000 0.310 364 F C 0.116 175.908 175.800 -0.014 0.000 1.085 364 F CA -1.659 56.391 58.000 0.083 0.000 0.945 364 F CB 1.043 40.080 39.000 0.060 0.000 1.298 364 F HN -0.515 nan 8.300 nan 0.000 0.455 365 T N 1.765 116.411 114.554 0.153 0.000 2.779 365 T HA 0.228 4.579 4.350 0.001 0.000 0.296 365 T C -0.461 174.128 174.700 -0.186 0.000 0.938 365 T CA -0.033 62.038 62.100 -0.049 0.000 1.119 365 T CB 0.470 69.306 68.868 -0.052 0.000 0.891 365 T HN 0.399 nan 8.240 nan 0.000 0.526 366 Q N 3.137 122.745 119.800 -0.321 0.000 2.348 366 Q HA 0.328 4.669 4.340 0.001 0.000 0.265 366 Q C -1.263 174.339 176.000 -0.664 0.000 0.998 366 Q CA -0.672 54.839 55.803 -0.487 0.000 0.831 366 Q CB 1.092 29.550 28.738 -0.467 0.000 1.251 366 Q HN 0.492 nan 8.270 nan 0.000 0.456 367 D N 3.912 123.947 120.400 -0.609 0.000 2.392 367 D HA 0.263 4.903 4.640 0.001 0.000 0.228 367 D C -1.125 175.015 176.300 -0.267 0.000 1.074 367 D CA -0.234 53.532 54.000 -0.390 0.000 0.838 367 D CB 0.369 41.054 40.800 -0.191 0.000 1.067 367 D HN 0.450 nan 8.370 nan 0.000 0.511 371 M N 4.016 123.683 119.600 0.113 0.000 2.261 371 M HA 0.153 4.634 4.480 0.001 0.000 0.350 371 M C -2.601 173.677 176.300 -0.037 0.000 1.343 371 M CA -0.589 54.737 55.300 0.043 0.000 1.003 371 M CB 0.205 32.854 32.600 0.081 0.000 1.848 371 M HN -0.128 nan 8.290 nan 0.000 0.456 372 P HA 0.169 nan 4.420 nan 0.000 0.270 372 P C -0.619 176.587 177.300 -0.156 0.000 1.227 372 P CA -0.201 62.857 63.100 -0.070 0.000 0.788 372 P CB 0.394 32.063 31.700 -0.052 0.000 0.926 373 G N -0.320 108.405 108.800 -0.124 0.000 2.412 373 G HA2 0.496 4.456 3.960 0.001 0.000 0.318 373 G HA3 0.496 4.456 3.960 0.001 0.000 0.318 373 G C -0.988 173.833 174.900 -0.133 0.000 1.146 373 G CA -0.490 44.506 45.100 -0.174 0.000 0.882 373 G HN 0.333 nan 8.290 nan 0.000 0.501 374 V N 2.625 122.439 119.914 -0.168 0.000 2.407 374 V HA 0.288 4.409 4.120 0.001 0.000 0.278 374 V C 0.533 176.584 176.094 -0.073 0.000 1.037 374 V CA -0.596 61.632 62.300 -0.121 0.000 0.900 374 V CB 1.349 33.068 31.823 -0.173 0.000 0.983 374 V HN 0.834 nan 8.190 nan 0.000 0.459 375 M N 9.383 128.954 119.600 -0.048 0.000 2.227 375 M HA 0.286 4.767 4.480 0.001 0.000 0.349 375 M C -2.281 173.929 176.300 -0.150 0.000 1.443 375 M CA -1.095 54.146 55.300 -0.098 0.000 1.110 375 M CB 0.868 33.365 32.600 -0.171 0.000 1.773 375 M HN 0.378 nan 8.290 nan 0.000 0.463 376 P HA 0.142 nan 4.420 nan 0.000 0.275 376 P C -1.307 175.803 177.300 -0.318 0.000 1.227 376 P CA -0.267 62.746 63.100 -0.145 0.000 0.781 376 P CB 0.807 32.485 31.700 -0.037 0.000 0.906 377 V N 2.860 122.557 119.914 -0.362 0.000 2.409 377 V HA 0.552 4.672 4.120 0.001 0.000 0.291 377 V C 0.358 176.121 176.094 -0.552 0.000 1.020 377 V CA -0.809 61.203 62.300 -0.480 0.000 0.848 377 V CB 1.413 32.922 31.823 -0.524 0.000 0.990 377 V HN 0.682 nan 8.190 nan 0.000 0.430 378 A N 3.779 126.239 122.820 -0.600 0.000 2.249 378 A HA 0.831 5.152 4.320 0.001 0.000 0.314 378 A C -0.057 177.270 177.584 -0.427 0.000 1.290 378 A CA -0.273 51.447 52.037 -0.529 0.000 0.893 378 A CB 1.078 19.676 19.000 -0.669 0.000 1.165 378 A HN 0.817 nan 8.150 nan 0.000 0.530 379 S N 1.593 117.104 115.700 -0.316 0.000 2.556 379 S HA 0.782 5.253 4.470 0.001 0.000 0.271 379 S C -0.432 174.060 174.600 -0.180 0.000 1.135 379 S CA 0.399 58.445 58.200 -0.257 0.000 0.858 379 S CB 1.487 64.611 63.200 -0.126 0.000 1.114 379 S HN 2.580 nan 8.310 nan 0.000 0.468 380 G N 1.313 109.996 108.800 -0.195 0.000 3.017 380 G HA2 0.437 4.398 3.960 0.001 0.000 0.680 380 G HA3 0.437 4.398 3.960 0.001 0.000 0.680 380 G C 0.891 175.626 174.900 -0.276 0.000 1.179 380 G CA 0.333 45.328 45.100 -0.174 0.000 1.142 380 G HN 2.159 nan 8.290 nan 0.000 0.489 381 G N 0.243 108.904 108.800 -0.232 0.000 2.147 381 G HA2 -0.028 3.933 3.960 0.001 0.000 0.244 381 G HA3 -0.028 3.933 3.960 0.001 0.000 0.244 381 G C 0.615 175.398 174.900 -0.196 0.000 1.005 381 G CA 0.866 45.804 45.100 -0.270 0.000 0.713 381 G HN 2.306 nan 8.290 nan 0.000 0.515 382 I N -1.836 118.614 120.570 -0.199 0.000 2.577 382 I HA 0.941 5.112 4.170 0.001 0.000 0.305 382 I C 0.263 176.539 176.117 0.265 0.000 0.986 382 I CA -1.292 59.914 61.300 -0.158 0.000 1.189 382 I CB 1.510 39.326 38.000 -0.307 0.000 1.355 382 I HN 0.319 nan 8.210 nan 0.000 0.476 383 H N 1.648 121.073 119.070 0.590 0.000 3.038 383 H HA 0.485 5.042 4.556 0.001 0.000 0.289 383 H C 0.673 176.175 175.328 0.289 0.000 1.510 383 H CA -0.405 55.823 56.048 0.300 0.000 1.227 383 H CB 0.536 30.267 29.762 -0.051 0.000 1.880 383 H HN 0.327 nan 8.280 nan 0.000 0.594 384 V N -2.957 117.108 119.914 0.252 0.000 2.469 384 V HA -0.220 3.900 4.120 0.001 0.000 0.251 384 V C 1.364 177.450 176.094 -0.013 0.000 1.064 384 V CA 1.704 63.993 62.300 -0.018 0.000 1.066 384 V CB -1.273 30.452 31.823 -0.163 0.000 0.667 384 V HN 0.776 nan 8.190 nan 0.000 0.461 385 W N -0.142 121.307 121.300 0.248 0.000 2.421 385 W HA -0.002 4.659 4.660 0.001 0.000 0.270 385 W C 2.598 179.066 176.519 -0.086 0.000 1.233 385 W CA 1.251 58.633 57.345 0.061 0.000 1.226 385 W CB -0.517 29.004 29.460 0.102 0.000 1.121 385 W HN 0.363 nan 8.180 nan 0.000 0.579 386 H N -1.007 118.165 119.070 0.171 0.000 2.551 386 H HA 0.028 4.585 4.556 0.001 0.000 0.266 386 H C 1.898 177.314 175.328 0.146 0.000 0.964 386 H CA 0.981 57.098 56.048 0.115 0.000 1.180 386 H CB -0.254 29.525 29.762 0.028 0.000 1.408 386 H HN 0.159 nan 8.280 nan 0.000 0.563 387 M N 1.754 121.495 119.600 0.235 0.000 2.088 387 M HA -0.100 4.380 4.480 0.001 0.000 0.256 387 M C -0.970 175.426 176.300 0.161 0.000 1.071 387 M CA 1.803 57.217 55.300 0.191 0.000 1.097 387 M CB -0.951 31.699 32.600 0.084 0.000 1.315 387 M HN 0.069 nan 8.290 nan 0.000 0.406 388 P HA -0.048 nan 4.420 nan 0.000 0.216 388 P C 1.180 178.546 177.300 0.110 0.000 1.153 388 P CA 2.206 65.370 63.100 0.106 0.000 0.848 388 P CB -0.414 31.346 31.700 0.099 0.000 0.787 389 A N -0.501 122.398 122.820 0.133 0.000 1.917 389 A HA -0.194 4.127 4.320 0.001 0.000 0.219 389 A C 2.236 179.880 177.584 0.100 0.000 1.182 389 A CA 1.654 53.758 52.037 0.111 0.000 0.633 389 A CB -1.721 17.368 19.000 0.148 0.000 0.819 389 A HN 0.123 nan 8.150 nan 0.000 0.448 390 L N -0.816 120.510 121.223 0.172 0.000 2.044 390 L HA -0.121 4.220 4.340 0.001 0.000 0.205 390 L C 2.493 179.514 176.870 0.251 0.000 1.075 390 L CA 0.965 55.959 54.840 0.256 0.000 0.747 390 L CB -0.580 41.650 42.059 0.284 0.000 0.903 390 L HN 0.229 nan 8.230 nan 0.000 0.435 391 V N -0.301 119.719 119.914 0.177 0.000 2.490 391 V HA -0.252 3.868 4.120 0.001 0.000 0.250 391 V C 2.570 178.717 176.094 0.088 0.000 1.061 391 V CA 1.650 64.033 62.300 0.138 0.000 1.064 391 V CB -0.501 31.384 31.823 0.103 0.000 0.670 391 V HN 0.465 nan 8.190 nan 0.000 0.461 392 E N 0.393 120.625 120.200 0.053 0.000 2.028 392 E HA -0.169 4.182 4.350 0.001 0.000 0.191 392 E C 2.173 178.734 176.600 -0.064 0.000 0.988 392 E CA 1.547 57.950 56.400 0.005 0.000 0.799 392 E CB -0.118 29.585 29.700 0.004 0.000 0.755 392 E HN 0.611 nan 8.360 nan 0.000 0.447 393 I N -0.239 120.238 120.570 -0.155 0.000 2.252 393 I HA -0.241 3.930 4.170 0.001 0.000 0.245 393 I C 1.916 177.736 176.117 -0.494 0.000 1.102 393 I CA 1.122 62.167 61.300 -0.426 0.000 1.385 393 I CB -0.199 37.335 38.000 -0.778 0.000 1.064 393 I HN 0.026 nan 8.210 nan 0.000 0.414 394 F N 0.167 120.119 119.950 0.003 0.000 2.678 394 F HA 0.383 4.911 4.527 0.001 0.000 0.291 394 F C 1.642 177.447 175.800 0.009 0.000 1.123 394 F CA 0.455 58.455 58.000 0.000 0.000 1.395 394 F CB -0.625 38.370 39.000 -0.008 0.000 1.121 394 F HN 0.122 nan 8.300 nan 0.000 0.592 395 G N 0.837 109.729 108.800 0.153 0.000 2.645 395 G HA2 -0.309 3.651 3.960 0.001 0.000 0.239 395 G HA3 -0.309 3.651 3.960 0.001 0.000 0.239 395 G C 0.289 175.259 174.900 0.117 0.000 1.331 395 G CA 0.225 45.390 45.100 0.109 0.000 0.890 395 G HN 0.156 nan 8.290 nan 0.000 0.572 396 D N 0.413 120.865 120.400 0.086 0.000 2.144 396 D HA 0.058 4.699 4.640 0.001 0.000 0.200 396 D C 1.198 177.537 176.300 0.064 0.000 0.978 396 D CA 1.328 55.372 54.000 0.073 0.000 0.833 396 D CB -0.142 40.699 40.800 0.069 0.000 0.961 396 D HN 0.371 nan 8.370 nan 0.000 0.470 397 D N 0.617 121.059 120.400 0.069 0.000 2.801 397 D HA 0.415 5.056 4.640 0.001 0.000 0.232 397 D C -0.330 175.985 176.300 0.025 0.000 1.128 397 D CA 0.112 54.141 54.000 0.048 0.000 1.003 397 D CB -0.068 40.764 40.800 0.055 0.000 1.110 397 D HN 0.044 nan 8.370 nan 0.000 0.477 398 A N -0.158 122.657 122.820 -0.009 0.000 2.593 398 A HA 0.634 4.954 4.320 0.001 0.000 0.290 398 A C -1.125 176.380 177.584 -0.131 0.000 1.126 398 A CA -0.762 51.211 52.037 -0.107 0.000 0.695 398 A CB 1.802 20.721 19.000 -0.135 0.000 1.290 398 A HN 0.361 nan 8.150 nan 0.000 0.414 399 C N 1.384 120.552 119.300 -0.220 0.000 2.369 399 C HA 0.776 5.237 4.460 0.001 0.000 0.322 399 C C -0.997 173.870 174.990 -0.206 0.000 1.258 399 C CA -0.601 58.329 59.018 -0.147 0.000 1.487 399 C CB -1.113 26.550 27.740 -0.128 0.000 2.165 399 C HN 0.674 nan 8.230 nan 0.000 0.483 400 L N 5.986 127.135 121.223 -0.124 0.000 2.307 400 L HA 0.591 4.932 4.340 0.001 0.000 0.284 400 L C -0.138 176.571 176.870 -0.268 0.000 1.023 400 L CA -0.203 54.504 54.840 -0.221 0.000 0.810 400 L CB 1.325 43.354 42.059 -0.050 0.000 1.231 400 L HN 0.618 nan 8.230 nan 0.000 0.423 401 Q N 3.085 122.542 119.800 -0.571 0.000 2.310 401 Q HA 0.500 4.840 4.340 0.001 0.000 0.270 401 Q C -1.612 173.958 176.000 -0.716 0.000 1.025 401 Q CA -0.413 55.122 55.803 -0.446 0.000 0.772 401 Q CB 2.444 31.042 28.738 -0.232 0.000 1.253 401 Q HN 0.428 nan 8.270 nan 0.000 0.450 402 F N 1.112 121.033 119.950 -0.048 0.000 2.359 402 F HA 0.349 4.877 4.527 0.001 0.000 0.370 402 F C 1.007 176.782 175.800 -0.043 0.000 1.077 402 F CA -0.659 57.309 58.000 -0.054 0.000 1.136 402 F CB 1.156 40.129 39.000 -0.045 0.000 1.387 402 F HN 0.738 nan 8.300 nan 0.000 0.468 403 G N 1.655 110.482 108.800 0.044 0.000 2.551 403 G HA2 -0.026 3.935 3.960 0.001 0.000 0.214 403 G HA3 -0.026 3.935 3.960 0.001 0.000 0.214 403 G C 1.789 176.727 174.900 0.064 0.000 1.250 403 G CA 0.696 45.821 45.100 0.042 0.000 0.825 403 G HN 0.742 nan 8.290 nan 0.000 0.549 404 G N 0.746 109.572 108.800 0.042 0.000 2.440 404 G HA2 0.035 3.996 3.960 0.001 0.000 0.218 404 G HA3 0.035 3.996 3.960 0.001 0.000 0.218 404 G C 1.747 176.650 174.900 0.005 0.000 1.154 404 G CA 1.359 46.488 45.100 0.048 0.000 0.767 404 G HN 0.706 nan 8.290 nan 0.000 0.552 405 G N -0.731 108.036 108.800 -0.056 0.000 2.564 405 G HA2 0.081 4.041 3.960 0.001 0.000 0.216 405 G HA3 0.081 4.041 3.960 0.001 0.000 0.216 405 G C 1.432 176.397 174.900 0.110 0.000 1.124 405 G CA 1.721 46.736 45.100 -0.140 0.000 0.764 405 G HN 0.445 nan 8.290 nan 0.000 0.550 406 T N -0.215 114.441 114.554 0.170 0.000 3.174 406 T HA 0.108 4.458 4.350 0.001 0.000 0.252 406 T C 1.922 176.734 174.700 0.187 0.000 0.984 406 T CA -0.171 62.028 62.100 0.165 0.000 1.113 406 T CB -0.021 68.906 68.868 0.099 0.000 1.088 406 T HN 0.049 nan 8.240 nan 0.000 0.442 407 L N 1.702 123.015 121.223 0.149 0.000 2.552 407 L HA 0.283 4.623 4.340 0.001 0.000 0.227 407 L C 2.361 179.352 176.870 0.203 0.000 1.146 407 L CA 0.868 55.789 54.840 0.135 0.000 0.858 407 L CB -0.350 41.755 42.059 0.076 0.000 0.969 407 L HN 0.381 nan 8.230 nan 0.000 0.451 408 G N -2.764 106.224 108.800 0.313 0.000 2.683 408 G HA2 -0.126 3.834 3.960 0.001 0.000 0.213 408 G HA3 -0.126 3.834 3.960 0.001 0.000 0.213 408 G C 0.691 175.855 174.900 0.439 0.000 1.142 408 G CA -0.241 45.121 45.100 0.436 0.000 0.793 408 G HN 0.322 nan 8.290 nan 0.000 0.534 409 H N 2.051 121.322 119.070 0.336 0.000 3.034 409 H HA 0.040 4.596 4.556 0.001 0.000 0.324 409 H C -1.029 174.282 175.328 -0.029 0.000 1.015 409 H CA -0.943 55.135 56.048 0.049 0.000 1.429 409 H CB 1.860 31.653 29.762 0.052 0.000 1.429 409 H HN 0.042 nan 8.280 nan 0.000 0.585 410 P HA -0.138 nan 4.420 nan 0.000 0.221 410 P C 0.598 178.129 177.300 0.385 0.000 1.145 410 P CA 1.109 64.196 63.100 -0.022 0.000 0.795 410 P CB 0.076 31.674 31.700 -0.171 0.000 0.775 411 W N 0.209 121.687 121.300 0.296 0.000 3.239 411 W HA 0.512 5.173 4.660 0.001 0.000 0.348 411 W C 1.121 177.702 176.519 0.103 0.000 1.183 411 W CA 0.261 57.714 57.345 0.179 0.000 1.819 411 W CB -0.735 28.824 29.460 0.166 0.000 1.091 411 W HN 0.057 nan 8.180 nan 0.000 0.629 412 G N 1.118 110.109 108.800 0.318 0.000 2.582 412 G HA2 -0.303 3.658 3.960 0.001 0.000 0.222 412 G HA3 -0.303 3.658 3.960 0.001 0.000 0.222 412 G C 0.744 175.681 174.900 0.061 0.000 1.311 412 G CA -0.107 45.085 45.100 0.153 0.000 0.915 412 G HN -0.004 nan 8.290 nan 0.000 0.528 413 N N 0.124 118.833 118.700 0.015 0.000 2.062 413 N HA 0.013 4.754 4.740 0.001 0.000 0.191 413 N C 2.820 178.271 175.510 -0.097 0.000 1.042 413 N CA 2.787 55.818 53.050 -0.033 0.000 0.845 413 N CB -0.973 37.489 38.487 -0.041 0.000 1.024 413 N HN 1.175 nan 8.380 nan 0.000 0.424 414 A N 1.784 124.536 122.820 -0.112 0.000 1.873 414 A HA -0.114 4.207 4.320 0.001 0.000 0.218 414 A C -0.144 177.349 177.584 -0.153 0.000 1.193 414 A CA 1.757 53.710 52.037 -0.139 0.000 0.629 414 A CB -1.709 17.207 19.000 -0.139 0.000 0.826 414 A HN 0.249 nan 8.150 nan 0.000 0.447 415 P HA -0.119 nan 4.420 nan 0.000 0.215 415 P C 1.778 178.707 177.300 -0.618 0.000 1.157 415 P CA 1.791 64.712 63.100 -0.298 0.000 0.868 415 P CB -0.440 31.161 31.700 -0.164 0.000 0.788 416 G N -0.124 108.272 108.800 -0.674 0.000 2.469 416 G HA2 -0.306 3.655 3.960 0.001 0.000 0.219 416 G HA3 -0.306 3.655 3.960 0.001 0.000 0.219 416 G C 1.617 176.395 174.900 -0.203 0.000 1.150 416 G CA 1.165 46.016 45.100 -0.414 0.000 0.763 416 G HN 0.353 nan 8.290 nan 0.000 0.561 417 A N 1.248 123.966 122.820 -0.170 0.000 1.841 417 A HA 0.314 4.635 4.320 0.001 0.000 0.214 417 A C 2.893 180.391 177.584 -0.143 0.000 1.195 417 A CA 2.363 54.325 52.037 -0.125 0.000 0.611 417 A CB -1.085 17.851 19.000 -0.106 0.000 0.835 417 A HN 0.941 nan 8.150 nan 0.000 0.443 418 A N 0.009 122.737 122.820 -0.153 0.000 1.927 418 A HA -0.007 4.313 4.320 0.001 0.000 0.220 418 A C 2.510 180.006 177.584 -0.146 0.000 1.185 418 A CA 2.719 54.676 52.037 -0.133 0.000 0.639 418 A CB -1.229 17.695 19.000 -0.128 0.000 0.820 418 A HN 1.199 nan 8.150 nan 0.000 0.451 419 A N 0.308 123.013 122.820 -0.192 0.000 1.849 419 A HA -0.301 4.019 4.320 0.001 0.000 0.217 419 A C 1.891 179.370 177.584 -0.175 0.000 1.202 419 A CA 2.173 54.106 52.037 -0.172 0.000 0.629 419 A CB -1.099 17.821 19.000 -0.133 0.000 0.834 419 A HN 0.692 nan 8.150 nan 0.000 0.447 420 N N -1.221 117.345 118.700 -0.224 0.000 2.166 420 N HA -0.177 4.563 4.740 0.001 0.000 0.186 420 N C 1.903 177.293 175.510 -0.200 0.000 1.019 420 N CA 1.486 54.333 53.050 -0.339 0.000 0.856 420 N CB -0.155 38.015 38.487 -0.528 0.000 0.993 420 N HN 0.503 nan 8.380 nan 0.000 0.426 421 R N 1.068 121.490 120.500 -0.130 0.000 2.062 421 R HA -0.002 4.339 4.340 0.001 0.000 0.231 421 R C 1.735 178.007 176.300 -0.046 0.000 1.136 421 R CA 1.141 57.198 56.100 -0.072 0.000 0.948 421 R CB -0.859 29.405 30.300 -0.060 0.000 0.845 421 R HN -0.001 nan 8.270 nan 0.000 0.430 422 V N 1.245 121.132 119.914 -0.044 0.000 2.255 422 V HA -0.278 3.843 4.120 0.001 0.000 0.247 422 V C 2.412 178.500 176.094 -0.009 0.000 1.051 422 V CA 2.160 64.463 62.300 0.004 0.000 1.018 422 V CB -1.154 30.676 31.823 0.011 0.000 0.641 422 V HN 0.584 nan 8.190 nan 0.000 0.445 423 A N -0.304 122.475 122.820 -0.067 0.000 1.917 423 A HA -0.266 4.055 4.320 0.001 0.000 0.219 423 A C 2.199 179.762 177.584 -0.035 0.000 1.182 423 A CA 2.476 54.466 52.037 -0.080 0.000 0.633 423 A CB -0.625 18.283 19.000 -0.153 0.000 0.819 423 A HN 0.520 nan 8.150 nan 0.000 0.448 424 L N -0.394 120.811 121.223 -0.030 0.000 2.109 424 L HA -0.082 4.259 4.340 0.001 0.000 0.207 424 L C 2.208 179.089 176.870 0.020 0.000 1.086 424 L CA 2.182 57.031 54.840 0.014 0.000 0.760 424 L CB -0.449 41.628 42.059 0.030 0.000 0.910 424 L HN 0.467 nan 8.230 nan 0.000 0.437 425 E N 0.016 120.224 120.200 0.013 0.000 2.072 425 E HA -0.180 4.171 4.350 0.001 0.000 0.191 425 E C 2.175 178.787 176.600 0.019 0.000 0.985 425 E CA 1.023 57.435 56.400 0.020 0.000 0.801 425 E CB -0.296 29.419 29.700 0.025 0.000 0.750 425 E HN 0.663 nan 8.360 nan 0.000 0.452 426 A N 1.404 124.236 122.820 0.021 0.000 1.873 426 A HA -0.237 4.084 4.320 0.001 0.000 0.218 426 A C 2.552 180.143 177.584 0.012 0.000 1.193 426 A CA 1.618 53.663 52.037 0.014 0.000 0.629 426 A CB -1.098 17.916 19.000 0.023 0.000 0.826 426 A HN 0.367 nan 8.150 nan 0.000 0.447 427 C N -1.199 118.112 119.300 0.019 0.000 2.413 427 C HA -0.076 4.385 4.460 0.001 0.000 0.277 427 C C 3.039 178.047 174.990 0.029 0.000 1.265 427 C CA 1.512 60.547 59.018 0.028 0.000 1.752 427 C CB -1.609 26.157 27.740 0.043 0.000 1.998 427 C HN 0.668 nan 8.230 nan 0.000 0.489 428 T N -0.049 114.522 114.554 0.029 0.000 2.737 428 T HA -0.218 4.132 4.350 0.001 0.000 0.265 428 T C 1.863 176.574 174.700 0.019 0.000 1.038 428 T CA 1.575 63.693 62.100 0.029 0.000 1.144 428 T CB -0.364 68.523 68.868 0.033 0.000 0.866 428 T HN 0.649 nan 8.240 nan 0.000 0.434 429 Q N 0.668 120.474 119.800 0.010 0.000 2.045 429 Q HA -0.196 4.145 4.340 0.001 0.000 0.206 429 Q C 2.485 178.484 176.000 -0.002 0.000 0.991 429 Q CA 1.858 57.660 55.803 -0.001 0.000 0.851 429 Q CB -0.367 28.361 28.738 -0.016 0.000 0.911 429 Q HN 0.526 nan 8.270 nan 0.000 0.418 430 A N 1.327 124.147 122.820 0.001 0.000 1.859 430 A HA -0.268 4.053 4.320 0.001 0.000 0.217 430 A C 2.165 179.755 177.584 0.009 0.000 1.198 430 A CA 1.749 53.788 52.037 0.004 0.000 0.629 430 A CB -0.925 18.080 19.000 0.010 0.000 0.830 430 A HN 0.388 nan 8.150 nan 0.000 0.446 431 R N 0.206 120.716 120.500 0.016 0.000 2.113 431 R HA -0.194 4.147 4.340 0.001 0.000 0.244 431 R C 1.952 178.261 176.300 0.015 0.000 1.142 431 R CA 2.246 58.358 56.100 0.019 0.000 0.953 431 R CB -0.901 29.415 30.300 0.027 0.000 0.860 431 R HN 0.787 nan 8.270 nan 0.000 0.438 432 N N 0.136 118.844 118.700 0.013 0.000 2.166 432 N HA -0.159 4.582 4.740 0.001 0.000 0.186 432 N C 1.364 176.877 175.510 0.005 0.000 1.019 432 N CA 1.023 54.079 53.050 0.010 0.000 0.856 432 N CB -0.100 38.393 38.487 0.009 0.000 0.993 432 N HN 0.410 nan 8.380 nan 0.000 0.426 433 E N -0.418 119.782 120.200 0.001 0.000 2.478 433 E HA -0.024 4.326 4.350 0.001 0.000 0.198 433 E C 1.084 177.684 176.600 -0.001 0.000 1.046 433 E CA 0.311 56.709 56.400 -0.003 0.000 0.870 433 E CB 0.192 29.887 29.700 -0.009 0.000 0.818 433 E HN 0.529 nan 8.360 nan 0.000 0.527 434 G N 1.345 110.147 108.800 0.003 0.000 2.253 434 G HA2 -0.228 3.733 3.960 0.001 0.000 0.209 434 G HA3 -0.228 3.733 3.960 0.001 0.000 0.209 434 G C 0.215 175.119 174.900 0.007 0.000 0.997 434 G CA -0.515 44.588 45.100 0.005 0.000 0.640 434 G HN 0.077 nan 8.290 nan 0.000 0.496 435 R N 1.652 122.156 120.500 0.007 0.000 2.538 435 R HA 0.180 4.521 4.340 0.001 0.000 0.282 435 R C -0.457 175.852 176.300 0.014 0.000 1.009 435 R CA 0.079 56.185 56.100 0.011 0.000 1.063 435 R CB 0.506 30.812 30.300 0.011 0.000 0.945 435 R HN 0.401 nan 8.270 nan 0.000 0.414 436 D N 4.196 124.605 120.400 0.015 0.000 2.325 436 D HA 0.005 4.645 4.640 0.001 0.000 0.251 436 D C 0.895 177.209 176.300 0.023 0.000 1.196 436 D CA -0.111 53.899 54.000 0.016 0.000 0.866 436 D CB 0.967 41.775 40.800 0.014 0.000 1.101 436 D HN 0.445 nan 8.370 nan 0.000 0.476 437 L N 3.666 124.905 121.223 0.025 0.000 2.313 437 L HA -0.061 4.280 4.340 0.001 0.000 0.214 437 L C 2.518 179.411 176.870 0.038 0.000 1.119 437 L CA 0.626 55.487 54.840 0.035 0.000 0.809 437 L CB -0.121 41.961 42.059 0.038 0.000 0.933 437 L HN 0.490 nan 8.230 nan 0.000 0.449 438 A N -0.042 122.795 122.820 0.028 0.000 2.015 438 A HA -0.158 4.163 4.320 0.001 0.000 0.219 438 A C 2.358 179.961 177.584 0.031 0.000 1.163 438 A CA 1.422 53.474 52.037 0.026 0.000 0.646 438 A CB -0.204 18.804 19.000 0.014 0.000 0.806 438 A HN 0.350 nan 8.150 nan 0.000 0.448 439 R N -1.236 119.282 120.500 0.030 0.000 2.144 439 R HA 0.107 4.448 4.340 0.001 0.000 0.195 439 R C 1.203 177.526 176.300 0.038 0.000 1.077 439 R CA 0.623 56.741 56.100 0.030 0.000 1.120 439 R CB 0.037 30.350 30.300 0.022 0.000 1.060 439 R HN 0.488 nan 8.270 nan 0.000 0.520 440 E N 0.751 120.973 120.200 0.037 0.000 2.485 440 E HA 0.011 4.362 4.350 0.001 0.000 0.194 440 E C 1.353 177.988 176.600 0.058 0.000 1.098 440 E CA 0.181 56.606 56.400 0.042 0.000 0.878 440 E CB 0.222 29.941 29.700 0.032 0.000 0.939 440 E HN 0.410 nan 8.360 nan 0.000 0.503 441 G N 1.830 110.670 108.800 0.067 0.000 2.628 441 G HA2 -0.355 3.606 3.960 0.001 0.000 0.217 441 G HA3 -0.355 3.606 3.960 0.001 0.000 0.217 441 G C 1.556 176.529 174.900 0.121 0.000 1.240 441 G CA 0.857 46.010 45.100 0.088 0.000 0.792 441 G HN 0.441 nan 8.290 nan 0.000 0.593 442 G N 0.224 109.116 108.800 0.153 0.000 2.475 442 G HA2 -0.222 3.739 3.960 0.001 0.000 0.220 442 G HA3 -0.222 3.739 3.960 0.001 0.000 0.220 442 G C 1.527 176.540 174.900 0.189 0.000 1.125 442 G CA 1.429 46.668 45.100 0.232 0.000 0.755 442 G HN 0.387 nan 8.290 nan 0.000 0.565 443 D N 0.144 120.614 120.400 0.116 0.000 2.097 443 D HA -0.090 4.551 4.640 0.001 0.000 0.197 443 D C 2.854 179.195 176.300 0.069 0.000 0.984 443 D CA 1.069 55.121 54.000 0.087 0.000 0.826 443 D CB -0.275 40.560 40.800 0.059 0.000 0.973 443 D HN 0.217 nan 8.370 nan 0.000 0.460 444 V N 1.861 121.809 119.914 0.056 0.000 2.287 444 V HA -0.227 3.894 4.120 0.001 0.000 0.248 444 V C 2.561 178.663 176.094 0.014 0.000 1.053 444 V CA 0.979 63.298 62.300 0.032 0.000 1.027 444 V CB -0.283 31.557 31.823 0.029 0.000 0.646 444 V HN 0.176 nan 8.190 nan 0.000 0.447 445 I N -0.015 120.556 120.570 0.002 0.000 2.127 445 I HA -0.216 3.955 4.170 0.001 0.000 0.241 445 I C 2.696 178.750 176.117 -0.106 0.000 1.075 445 I CA 1.731 62.964 61.300 -0.112 0.000 1.334 445 I CB -1.162 36.692 38.000 -0.243 0.000 1.040 445 I HN 0.294 nan 8.210 nan 0.000 0.405 446 R N 0.350 120.857 120.500 0.011 0.000 2.091 446 R HA -0.155 4.186 4.340 0.001 0.000 0.238 446 R C 2.482 178.815 176.300 0.054 0.000 1.136 446 R CA 1.896 58.037 56.100 0.068 0.000 0.959 446 R CB -0.166 30.230 30.300 0.160 0.000 0.856 446 R HN 0.324 nan 8.270 nan 0.000 0.437 447 S N 0.375 116.108 115.700 0.055 0.000 2.383 447 S HA -0.175 4.295 4.470 0.001 0.000 0.229 447 S C 1.986 176.654 174.600 0.114 0.000 1.030 447 S CA 1.312 59.553 58.200 0.068 0.000 1.002 447 S CB -0.159 63.065 63.200 0.040 0.000 0.829 447 S HN 0.502 nan 8.310 nan 0.000 0.467 448 A N 0.520 123.398 122.820 0.097 0.000 1.968 448 A HA -0.076 4.245 4.320 0.001 0.000 0.217 448 A C 2.340 179.995 177.584 0.118 0.000 1.169 448 A CA 1.278 53.427 52.037 0.187 0.000 0.638 448 A CB -1.070 17.990 19.000 0.100 0.000 0.812 448 A HN 0.654 nan 8.150 nan 0.000 0.446 449 C N -0.149 119.152 119.300 0.001 0.000 2.457 449 C HA -0.016 4.445 4.460 0.001 0.000 0.278 449 C C 2.456 177.442 174.990 -0.005 0.000 1.309 449 C CA 0.956 59.941 59.018 -0.055 0.000 1.735 449 C CB -1.019 26.671 27.740 -0.084 0.000 1.992 449 C HN 0.585 nan 8.230 nan 0.000 0.493 450 K N 0.184 120.620 120.400 0.060 0.000 2.362 450 K HA -0.134 4.187 4.320 0.001 0.000 0.200 450 K C 1.969 178.651 176.600 0.135 0.000 1.046 450 K CA 1.170 57.506 56.287 0.082 0.000 0.952 450 K CB -0.189 32.365 32.500 0.091 0.000 0.753 450 K HN 0.832 nan 8.250 nan 0.000 0.466 451 W N 1.132 122.423 121.300 -0.015 0.000 2.574 451 W HA 0.137 4.798 4.660 0.001 0.000 0.282 451 W C 0.011 176.524 176.519 -0.009 0.000 1.197 451 W CA 0.240 57.579 57.345 -0.011 0.000 1.376 451 W CB 0.293 29.744 29.460 -0.016 0.000 1.091 451 W HN -0.181 nan 8.180 nan 0.000 0.569 452 S N 1.613 116.973 115.700 -0.567 0.000 2.474 452 S HA 0.327 4.797 4.470 0.001 0.000 0.321 452 S C -1.604 172.804 174.600 -0.321 0.000 1.080 452 S CA -1.523 56.274 58.200 -0.673 0.000 1.106 452 S CB 1.638 64.490 63.200 -0.579 0.000 0.984 452 S HN -0.210 nan 8.310 nan 0.000 0.464 453 P HA -0.087 nan 4.420 nan 0.000 0.215 453 P C 0.842 178.037 177.300 -0.175 0.000 1.153 453 P CA 1.141 64.210 63.100 -0.052 0.000 0.853 453 P CB 0.221 31.995 31.700 0.124 0.000 0.788 454 E N -0.635 119.445 120.200 -0.199 0.000 2.031 454 E HA -0.157 4.194 4.350 0.001 0.000 0.193 454 E C 1.882 178.309 176.600 -0.288 0.000 0.994 454 E CA 0.777 56.964 56.400 -0.354 0.000 0.800 454 E CB -1.342 28.236 29.700 -0.204 0.000 0.752 454 E HN 0.057 nan 8.360 nan 0.000 0.447 455 L N 0.808 121.893 121.223 -0.230 0.000 2.042 455 L HA -0.166 4.175 4.340 0.001 0.000 0.210 455 L C 2.054 178.785 176.870 -0.232 0.000 1.076 455 L CA 2.167 56.885 54.840 -0.203 0.000 0.749 455 L CB -1.065 40.884 42.059 -0.184 0.000 0.893 455 L HN 0.136 nan 8.230 nan 0.000 0.432 456 A N -0.475 122.208 122.820 -0.228 0.000 1.865 456 A HA -0.175 4.146 4.320 0.001 0.000 0.217 456 A C 2.482 179.916 177.584 -0.251 0.000 1.191 456 A CA 2.234 54.160 52.037 -0.185 0.000 0.623 456 A CB -1.309 17.620 19.000 -0.117 0.000 0.826 456 A HN 0.587 nan 8.150 nan 0.000 0.444 457 A N -0.344 122.223 122.820 -0.421 0.000 1.948 457 A HA 0.088 4.408 4.320 0.001 0.000 0.220 457 A C 2.479 179.661 177.584 -0.669 0.000 1.177 457 A CA 2.361 54.025 52.037 -0.622 0.000 0.636 457 A CB -0.962 17.276 19.000 -1.269 0.000 0.815 457 A HN 1.095 nan 8.150 nan 0.000 0.449 458 A N -1.041 121.458 122.820 -0.534 0.000 1.855 458 A HA -0.130 4.191 4.320 0.001 0.000 0.215 458 A C 2.309 179.761 177.584 -0.220 0.000 1.191 458 A CA 1.550 53.340 52.037 -0.412 0.000 0.613 458 A CB -1.300 17.699 19.000 -0.002 0.000 0.829 458 A HN 0.605 nan 8.150 nan 0.000 0.442 459 C N -0.636 118.578 119.300 -0.144 0.000 2.413 459 C HA -0.097 4.363 4.460 0.001 0.000 0.277 459 C C 2.684 177.839 174.990 0.276 0.000 1.265 459 C CA 1.198 60.261 59.018 0.074 0.000 1.752 459 C CB -1.078 26.587 27.740 -0.124 0.000 1.998 459 C HN 0.645 nan 8.230 nan 0.000 0.489 460 E N 0.841 121.036 120.200 -0.008 0.000 2.058 460 E HA -0.160 4.191 4.350 0.001 0.000 0.194 460 E C 2.193 178.701 176.600 -0.153 0.000 0.997 460 E CA 1.471 57.836 56.400 -0.058 0.000 0.801 460 E CB -0.160 29.461 29.700 -0.132 0.000 0.746 460 E HN 0.485 nan 8.360 nan 0.000 0.450 461 V N -0.276 119.414 119.914 -0.372 0.000 2.453 461 V HA -0.165 3.956 4.120 0.001 0.000 0.247 461 V C 1.581 177.381 176.094 -0.491 0.000 1.048 461 V CA 1.233 63.183 62.300 -0.583 0.000 1.049 461 V CB -0.347 30.838 31.823 -1.062 0.000 0.672 461 V HN 0.347 nan 8.190 nan 0.000 0.457 462 W N -0.083 121.167 121.300 -0.083 0.000 3.102 462 W HA 0.355 5.016 4.660 0.001 0.000 0.401 462 W C 1.804 178.206 176.519 -0.195 0.000 1.070 462 W CA -0.936 56.271 57.345 -0.230 0.000 1.921 462 W CB -0.296 28.814 29.460 -0.584 0.000 1.118 462 W HN 0.271 nan 8.180 nan 0.000 0.647 463 K N 1.173 121.591 120.400 0.031 0.000 2.063 463 K HA -0.191 4.130 4.320 0.001 0.000 0.208 463 K C 1.393 177.763 176.600 -0.383 0.000 1.048 463 K CA 1.512 57.606 56.287 -0.321 0.000 0.928 463 K CB 0.301 32.683 32.500 -0.197 0.000 0.713 463 K HN -0.162 nan 8.250 nan 0.000 0.442 464 E N 0.422 120.504 120.200 -0.196 0.000 2.502 464 E HA 0.003 4.354 4.350 0.001 0.000 0.194 464 E C 0.006 176.529 176.600 -0.127 0.000 1.062 464 E CA 0.208 56.508 56.400 -0.167 0.000 0.867 464 E CB 0.245 29.872 29.700 -0.121 0.000 0.888 464 E HN 0.259 nan 8.360 nan 0.000 0.510 465 I N 1.855 122.383 120.570 -0.071 0.000 2.337 465 I HA 0.202 4.372 4.170 0.001 0.000 0.291 465 I C 0.466 176.600 176.117 0.029 0.000 1.046 465 I CA 0.007 61.291 61.300 -0.027 0.000 1.324 465 I CB 0.209 38.255 38.000 0.078 0.000 1.409 465 I HN -0.287 nan 8.210 nan 0.000 0.494 466 K N 5.423 125.705 120.400 -0.198 0.000 2.512 466 K HA 0.568 4.889 4.320 0.001 0.000 0.263 466 K C -1.524 174.840 176.600 -0.395 0.000 0.966 466 K CA -0.652 55.566 56.287 -0.115 0.000 0.851 466 K CB 2.728 35.194 32.500 -0.057 0.000 1.395 466 K HN 0.174 nan 8.250 nan 0.000 0.440 467 F N 1.662 121.697 119.950 0.141 0.000 2.451 467 F HA 0.338 4.865 4.527 0.001 0.000 0.367 467 F C -0.342 175.537 175.800 0.132 0.000 1.100 467 F CA -0.503 57.594 58.000 0.161 0.000 1.171 467 F CB 1.383 40.536 39.000 0.255 0.000 1.405 467 F HN 0.317 nan 8.300 nan 0.000 0.482 468 E N 1.890 122.077 120.200 -0.021 0.000 2.314 468 E HA 0.714 5.065 4.350 0.001 0.000 0.272 468 E C -1.281 175.147 176.600 -0.286 0.000 0.884 468 E CA -0.635 55.769 56.400 0.007 0.000 0.753 468 E CB 2.638 32.322 29.700 -0.027 0.000 1.213 468 E HN 0.252 nan 8.360 nan 0.000 0.432 469 F N 0.000 119.991 119.950 0.069 0.000 2.286 469 F HA 0.000 4.528 4.527 0.001 0.000 0.279 469 F CA 0.000 58.034 58.000 0.057 0.000 1.383 469 F CB 0.000 39.042 39.000 0.070 0.000 1.145 469 F HN 0.000 nan 8.300 nan 0.000 0.574