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 1rrv_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRVLLSVCGT RGDVEIGVAL ADRLKALGVQ TRMCAPPAAE ERLAEVGVPH DATA SEQUENCE VPVGLPQHMM LQEGMPPPPP EEEQRLAAMT VEMQFDAVPG AAEGCAAVVA DATA SEQUENCE VGDLAAATGV RSVAEKLGLP FFYSVPSPVY LASPHLPPAY DEPTTPGVTD DATA SEQUENCE IRVLWEERAA RFADRYGPTL NRRRAEIGLP PVEDVFGYGH GERPLLAADP DATA SEQUENCE VLAPLQPDVD AVQTGAWLLS DERPLPPELE AFLAAGSPPV HIGFGSSSGR DATA SEQUENCE GIADAAKVAV EAIRAQGRRV ILSRGWTELV LPDDRDDCFA IDEVNFQALF DATA SEQUENCE RRVAAVIHHG SAGTEHVATR AGVPQLVIPR NTDQPYFAGR VAALGIGVAH DATA SEQUENCE DGPTPTFESL SAALTTVLAP ETRARAEAVA GMVLTDGAAA AADLVLAAVG DATA SEQUENCE R VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.289 176.300 -0.018 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.015 0.000 0.988 1 M CB 0.000 32.588 32.600 -0.020 0.000 1.302 2 R N 3.000 123.493 120.500 -0.013 0.000 2.673 2 R HA 0.862 5.202 4.340 -0.000 0.000 0.281 2 R C -2.215 174.078 176.300 -0.011 0.000 0.991 2 R CA -0.616 55.475 56.100 -0.014 0.000 0.896 2 R CB 2.486 32.782 30.300 -0.006 0.000 1.201 2 R HN 0.550 nan 8.270 nan 0.000 0.457 3 V N 4.760 124.662 119.914 -0.020 0.000 2.555 3 V HA 0.391 4.511 4.120 -0.000 0.000 0.302 3 V C -0.685 175.405 176.094 -0.006 0.000 1.038 3 V CA -0.935 61.355 62.300 -0.017 0.000 0.887 3 V CB 1.649 33.442 31.823 -0.050 0.000 0.991 3 V HN 0.616 nan 8.190 nan 0.000 0.434 4 L N 6.377 127.608 121.223 0.014 0.000 2.275 4 L HA 0.589 4.929 4.340 -0.000 0.000 0.288 4 L C -0.702 176.183 176.870 0.025 0.000 1.046 4 L CA 0.289 55.143 54.840 0.023 0.000 0.805 4 L CB 0.831 42.913 42.059 0.038 0.000 1.193 4 L HN 0.531 nan 8.230 nan 0.000 0.426 5 L N 4.420 125.655 121.223 0.021 0.000 2.307 5 L HA 0.561 4.901 4.340 -0.000 0.000 0.284 5 L C 0.017 176.909 176.870 0.038 0.000 1.023 5 L CA -0.372 54.482 54.840 0.024 0.000 0.810 5 L CB 1.727 43.792 42.059 0.011 0.000 1.231 5 L HN 0.675 nan 8.230 nan 0.000 0.423 6 S N 2.543 118.272 115.700 0.048 0.000 2.605 6 S HA 0.703 5.173 4.470 -0.000 0.000 0.308 6 S C -0.862 173.766 174.600 0.045 0.000 1.113 6 S CA -0.489 57.745 58.200 0.055 0.000 1.049 6 S CB 1.222 64.469 63.200 0.078 0.000 1.001 6 S HN 0.283 nan 8.310 nan 0.000 0.480 7 V N 4.342 124.274 119.914 0.029 0.000 2.487 7 V HA 0.523 4.643 4.120 -0.000 0.000 0.298 7 V C -0.347 175.753 176.094 0.011 0.000 1.028 7 V CA -0.856 61.448 62.300 0.007 0.000 0.860 7 V CB 1.239 33.050 31.823 -0.021 0.000 0.991 7 V HN 0.950 nan 8.190 nan 0.000 0.427 8 C N 4.992 124.299 119.300 0.011 0.000 2.521 8 C HA 0.922 5.382 4.460 -0.000 0.000 0.291 8 C C 0.567 175.555 174.990 -0.004 0.000 1.074 8 C CA 0.592 59.617 59.018 0.012 0.000 1.495 8 C CB -0.938 26.818 27.740 0.025 0.000 1.862 8 C HN 1.243 nan 8.230 nan 0.000 0.418 9 G N 3.486 112.274 108.800 -0.021 0.000 2.348 9 G HA2 0.565 4.525 3.960 -0.000 0.000 0.296 9 G HA3 0.565 4.525 3.960 -0.000 0.000 0.296 9 G C -0.385 174.483 174.900 -0.052 0.000 1.258 9 G CA 0.361 45.442 45.100 -0.031 0.000 0.868 9 G HN 0.839 nan 8.290 nan 0.000 0.488 10 T N -2.039 112.484 114.554 -0.051 0.000 2.902 10 T HA 0.481 4.831 4.350 -0.000 0.000 0.287 10 T C 1.605 176.263 174.700 -0.070 0.000 1.048 10 T CA 0.511 62.566 62.100 -0.075 0.000 0.941 10 T CB 1.378 70.219 68.868 -0.045 0.000 1.432 10 T HN 0.684 nan 8.240 nan 0.000 0.586 11 R N 0.436 120.893 120.500 -0.073 0.000 2.113 11 R HA -0.060 4.280 4.340 -0.000 0.000 0.244 11 R C 2.520 178.792 176.300 -0.047 0.000 1.142 11 R CA 2.481 58.544 56.100 -0.063 0.000 0.953 11 R CB -1.454 28.821 30.300 -0.042 0.000 0.860 11 R HN 0.845 nan 8.270 nan 0.000 0.438 12 G N -0.061 108.729 108.800 -0.017 0.000 2.440 12 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 12 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 12 G C 0.962 175.819 174.900 -0.071 0.000 1.154 12 G CA 1.164 46.247 45.100 -0.029 0.000 0.767 12 G HN 0.418 nan 8.290 nan 0.000 0.552 13 D N 0.175 120.528 120.400 -0.078 0.000 2.149 13 D HA -0.051 4.589 4.640 -0.000 0.000 0.201 13 D C 2.763 179.011 176.300 -0.085 0.000 0.972 13 D CA 0.590 54.526 54.000 -0.106 0.000 0.835 13 D CB -0.228 40.511 40.800 -0.102 0.000 0.966 13 D HN 0.217 nan 8.370 nan 0.000 0.476 14 V N 1.298 121.166 119.914 -0.077 0.000 2.343 14 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 14 V C 2.471 178.525 176.094 -0.066 0.000 1.051 14 V CA 1.645 63.898 62.300 -0.078 0.000 1.036 14 V CB -0.374 31.390 31.823 -0.099 0.000 0.654 14 V HN 0.064 nan 8.190 nan 0.000 0.451 15 E N 0.171 120.331 120.200 -0.066 0.000 2.150 15 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 15 E C 1.946 178.531 176.600 -0.024 0.000 0.985 15 E CA 1.047 57.414 56.400 -0.055 0.000 0.814 15 E CB -0.187 29.474 29.700 -0.064 0.000 0.752 15 E HN 0.419 nan 8.360 nan 0.000 0.466 16 I N 0.175 120.726 120.570 -0.032 0.000 2.286 16 I HA -0.112 4.058 4.170 -0.000 0.000 0.248 16 I C 2.261 178.473 176.117 0.158 0.000 1.115 16 I CA 1.550 62.864 61.300 0.023 0.000 1.392 16 I CB -1.645 36.266 38.000 -0.149 0.000 1.065 16 I HN 0.247 nan 8.210 nan 0.000 0.418 17 G N 0.313 109.153 108.800 0.066 0.000 2.403 17 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.216 17 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.216 17 G C 1.850 176.766 174.900 0.025 0.000 1.154 17 G CA 0.625 45.769 45.100 0.074 0.000 0.784 17 G HN 0.260 nan 8.290 nan 0.000 0.538 18 V N 1.540 121.449 119.914 -0.007 0.000 2.407 18 V HA -0.137 3.983 4.120 -0.000 0.000 0.248 18 V C 3.292 179.368 176.094 -0.031 0.000 1.055 18 V CA 1.960 64.241 62.300 -0.033 0.000 1.049 18 V CB -0.652 31.141 31.823 -0.050 0.000 0.662 18 V HN 0.463 nan 8.190 nan 0.000 0.455 19 A N -0.408 122.411 122.820 -0.002 0.000 1.930 19 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 19 A C 2.129 179.666 177.584 -0.079 0.000 1.175 19 A CA 1.923 53.952 52.037 -0.014 0.000 0.627 19 A CB -0.466 18.564 19.000 0.051 0.000 0.815 19 A HN 0.450 nan 8.150 nan 0.000 0.443 20 L N -0.365 120.804 121.223 -0.090 0.000 2.072 20 L HA 0.070 4.410 4.340 -0.000 0.000 0.205 20 L C 2.643 179.403 176.870 -0.184 0.000 1.079 20 L CA 1.976 56.663 54.840 -0.255 0.000 0.752 20 L CB -0.825 41.036 42.059 -0.330 0.000 0.906 20 L HN 0.318 nan 8.230 nan 0.000 0.436 21 A N -0.914 121.841 122.820 -0.110 0.000 1.940 21 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 21 A C 2.184 179.714 177.584 -0.090 0.000 1.176 21 A CA 1.957 53.940 52.037 -0.090 0.000 0.631 21 A CB -0.919 18.044 19.000 -0.061 0.000 0.814 21 A HN 0.647 nan 8.150 nan 0.000 0.446 22 D N -0.759 119.589 120.400 -0.088 0.000 2.117 22 D HA -0.178 4.462 4.640 -0.000 0.000 0.198 22 D C 2.127 178.370 176.300 -0.095 0.000 0.982 22 D CA 1.379 55.331 54.000 -0.080 0.000 0.828 22 D CB -0.024 40.735 40.800 -0.069 0.000 0.967 22 D HN 0.312 nan 8.370 nan 0.000 0.464 23 R N 0.635 121.058 120.500 -0.128 0.000 2.115 23 R HA 0.036 4.376 4.340 -0.000 0.000 0.226 23 R C 2.494 178.710 176.300 -0.139 0.000 1.100 23 R CA 0.770 56.784 56.100 -0.143 0.000 0.980 23 R CB -0.777 29.404 30.300 -0.199 0.000 0.875 23 R HN 0.234 nan 8.270 nan 0.000 0.445 24 L N 0.374 121.509 121.223 -0.147 0.000 2.056 24 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 24 L C 2.564 179.378 176.870 -0.093 0.000 1.078 24 L CA 1.625 56.388 54.840 -0.129 0.000 0.749 24 L CB -0.487 41.493 42.059 -0.131 0.000 0.901 24 L HN 0.244 nan 8.230 nan 0.000 0.433 25 K N 0.526 120.877 120.400 -0.082 0.000 2.009 25 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 25 K C 2.117 178.682 176.600 -0.059 0.000 1.049 25 K CA 1.569 57.819 56.287 -0.063 0.000 0.929 25 K CB -0.161 32.306 32.500 -0.056 0.000 0.714 25 K HN 0.269 nan 8.250 nan 0.000 0.440 26 A N 1.061 123.842 122.820 -0.065 0.000 2.032 26 A HA -0.129 4.191 4.320 -0.000 0.000 0.221 26 A C 1.911 179.460 177.584 -0.059 0.000 1.165 26 A CA 1.312 53.313 52.037 -0.059 0.000 0.645 26 A CB -0.455 18.506 19.000 -0.064 0.000 0.807 26 A HN 0.369 nan 8.150 nan 0.000 0.453 27 L N -1.539 119.643 121.223 -0.069 0.000 2.591 27 L HA 0.214 4.554 4.340 -0.000 0.000 0.228 27 L C 1.610 178.447 176.870 -0.055 0.000 1.133 27 L CA 0.473 55.273 54.840 -0.066 0.000 0.880 27 L CB -0.182 41.827 42.059 -0.082 0.000 1.033 27 L HN 0.576 nan 8.230 nan 0.000 0.450 28 G N 0.248 109.017 108.800 -0.051 0.000 2.141 28 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.242 28 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.242 28 G C 0.097 174.972 174.900 -0.042 0.000 0.982 28 G CA -0.005 45.070 45.100 -0.042 0.000 0.662 28 G HN 0.112 nan 8.290 nan 0.000 0.527 29 V N 1.442 121.324 119.914 -0.052 0.000 2.439 29 V HA 0.434 4.554 4.120 -0.000 0.000 0.282 29 V C 0.810 176.875 176.094 -0.048 0.000 1.039 29 V CA -0.585 61.684 62.300 -0.051 0.000 0.913 29 V CB 1.585 33.368 31.823 -0.067 0.000 0.983 29 V HN 0.465 nan 8.190 nan 0.000 0.460 30 Q N 2.143 121.921 119.800 -0.037 0.000 2.382 30 Q HA 0.578 4.918 4.340 -0.000 0.000 0.229 30 Q C 0.102 176.082 176.000 -0.033 0.000 1.006 30 Q CA -0.262 55.523 55.803 -0.031 0.000 0.916 30 Q CB 1.310 30.036 28.738 -0.020 0.000 1.235 30 Q HN 0.944 nan 8.270 nan 0.000 0.512 31 T N -1.667 112.871 114.554 -0.028 0.000 2.868 31 T HA 0.688 5.038 4.350 -0.000 0.000 0.306 31 T C -1.092 173.602 174.700 -0.010 0.000 1.224 31 T CA -1.086 60.999 62.100 -0.025 0.000 1.012 31 T CB 2.102 70.947 68.868 -0.039 0.000 1.221 31 T HN 0.627 nan 8.240 nan 0.000 0.499 32 R N 1.369 121.869 120.500 -0.001 0.000 2.651 32 R HA 0.696 5.036 4.340 -0.000 0.000 0.278 32 R C -1.640 174.674 176.300 0.024 0.000 1.010 32 R CA -0.936 55.173 56.100 0.016 0.000 0.896 32 R CB 2.247 32.558 30.300 0.020 0.000 1.211 32 R HN 0.867 nan 8.270 nan 0.000 0.456 33 M N 4.718 124.344 119.600 0.044 0.000 2.197 33 M HA 0.395 4.875 4.480 -0.000 0.000 0.301 33 M C -1.532 174.837 176.300 0.115 0.000 0.987 33 M CA -0.548 54.782 55.300 0.050 0.000 0.921 33 M CB 1.437 34.040 32.600 0.005 0.000 1.569 33 M HN 0.676 nan 8.290 nan 0.000 0.431 34 C N 4.768 124.124 119.300 0.092 0.000 2.394 34 C HA 0.898 5.358 4.460 -0.000 0.000 0.362 34 C C 0.306 175.366 174.990 0.117 0.000 1.268 34 C CA -0.132 58.954 59.018 0.113 0.000 1.828 34 C CB -0.718 27.061 27.740 0.065 0.000 2.442 34 C HN 0.863 nan 8.230 nan 0.000 0.549 35 A N 5.740 128.683 122.820 0.204 0.000 2.610 35 A HA 0.867 5.187 4.320 -0.000 0.000 0.291 35 A C -3.067 174.659 177.584 0.236 0.000 1.086 35 A CA -1.227 50.886 52.037 0.127 0.000 0.677 35 A CB 0.787 19.756 19.000 -0.053 0.000 1.278 35 A HN 0.488 nan 8.150 nan 0.000 0.414 36 P HA 0.176 nan 4.420 nan 0.000 0.268 36 P C -1.999 175.398 177.300 0.161 0.000 1.208 36 P CA -0.648 62.500 63.100 0.079 0.000 0.777 36 P CB 0.182 31.880 31.700 -0.004 0.000 0.875 37 P HA -0.210 nan 4.420 nan 0.000 0.217 37 P C 1.108 178.493 177.300 0.141 0.000 1.148 37 P CA 1.891 65.086 63.100 0.158 0.000 0.828 37 P CB -0.416 31.320 31.700 0.059 0.000 0.783 38 A N -0.281 122.563 122.820 0.039 0.000 2.178 38 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 38 A C 2.123 179.682 177.584 -0.043 0.000 1.157 38 A CA 1.579 53.609 52.037 -0.012 0.000 0.689 38 A CB -1.303 17.650 19.000 -0.078 0.000 0.787 38 A HN 0.218 nan 8.150 nan 0.000 0.465 39 A N -0.477 122.296 122.820 -0.079 0.000 2.169 39 A HA 0.055 4.375 4.320 -0.000 0.000 0.212 39 A C 1.728 179.169 177.584 -0.239 0.000 1.153 39 A CA 1.128 53.039 52.037 -0.210 0.000 0.756 39 A CB -0.360 18.427 19.000 -0.354 0.000 0.813 39 A HN 0.679 nan 8.150 nan 0.000 0.471 40 E N 0.267 120.421 120.200 -0.077 0.000 2.048 40 E HA -0.304 4.046 4.350 -0.000 0.000 0.202 40 E C 2.114 178.711 176.600 -0.005 0.000 1.021 40 E CA 2.440 58.873 56.400 0.056 0.000 0.825 40 E CB -0.239 29.559 29.700 0.163 0.000 0.756 40 E HN 0.645 nan 8.360 nan 0.000 0.454 41 E N 0.879 121.072 120.200 -0.012 0.000 2.058 41 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 41 E C 1.965 178.538 176.600 -0.045 0.000 0.997 41 E CA 1.726 58.114 56.400 -0.020 0.000 0.801 41 E CB -0.747 28.943 29.700 -0.017 0.000 0.746 41 E HN 0.188 nan 8.360 nan 0.000 0.450 42 R N 0.238 120.695 120.500 -0.071 0.000 2.081 42 R HA 0.079 4.419 4.340 -0.000 0.000 0.235 42 R C 2.351 178.599 176.300 -0.086 0.000 1.131 42 R CA 1.543 57.593 56.100 -0.084 0.000 0.960 42 R CB -0.739 29.500 30.300 -0.102 0.000 0.856 42 R HN 0.494 nan 8.270 nan 0.000 0.436 43 L N -0.355 120.801 121.223 -0.111 0.000 2.093 43 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 43 L C 2.434 179.275 176.870 -0.048 0.000 1.085 43 L CA 1.157 55.936 54.840 -0.102 0.000 0.755 43 L CB -0.644 41.311 42.059 -0.173 0.000 0.904 43 L HN 0.295 nan 8.230 nan 0.000 0.435 44 A N -0.079 122.723 122.820 -0.030 0.000 1.902 44 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 44 A C 2.199 179.772 177.584 -0.019 0.000 1.181 44 A CA 1.685 53.716 52.037 -0.009 0.000 0.623 44 A CB -0.461 18.540 19.000 0.003 0.000 0.818 44 A HN 0.404 nan 8.150 nan 0.000 0.443 45 E N -0.449 119.733 120.200 -0.030 0.000 2.097 45 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 45 E C 1.693 178.272 176.600 -0.034 0.000 1.000 45 E CA 1.944 58.325 56.400 -0.033 0.000 0.804 45 E CB -0.131 29.543 29.700 -0.043 0.000 0.740 45 E HN 0.607 nan 8.360 nan 0.000 0.454 46 V N -3.282 116.608 119.914 -0.040 0.000 3.596 46 V HA 0.388 4.508 4.120 -0.000 0.000 0.289 46 V C 1.012 177.087 176.094 -0.032 0.000 1.336 46 V CA 0.389 62.666 62.300 -0.039 0.000 1.137 46 V CB -0.104 31.691 31.823 -0.048 0.000 0.966 46 V HN 0.289 nan 8.190 nan 0.000 0.428 47 G N 0.543 109.328 108.800 -0.025 0.000 2.249 47 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.273 47 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.273 47 G C -0.035 174.856 174.900 -0.015 0.000 1.036 47 G CA 0.327 45.417 45.100 -0.017 0.000 0.824 47 G HN 0.905 nan 8.290 nan 0.000 0.504 48 V N 2.263 122.167 119.914 -0.018 0.000 2.370 48 V HA 0.420 4.540 4.120 -0.000 0.000 0.279 48 V C -1.175 174.927 176.094 0.013 0.000 1.029 48 V CA -1.661 60.631 62.300 -0.013 0.000 0.870 48 V CB 1.586 33.391 31.823 -0.030 0.000 0.984 48 V HN 0.285 nan 8.190 nan 0.000 0.451 49 P HA -0.010 nan 4.420 nan 0.000 0.262 49 P C -0.588 176.775 177.300 0.105 0.000 1.182 49 P CA 0.355 63.485 63.100 0.051 0.000 0.761 49 P CB 0.288 32.006 31.700 0.031 0.000 0.795 50 H N 2.064 121.129 119.070 -0.008 0.000 2.476 50 H HA 0.391 4.947 4.556 -0.000 0.000 0.328 50 H C -1.019 174.307 175.328 -0.004 0.000 1.073 50 H CA -1.043 55.001 56.048 -0.007 0.000 1.229 50 H CB 1.184 30.940 29.762 -0.009 0.000 1.432 50 H HN 0.069 nan 8.280 nan 0.000 0.477 51 V N 8.612 128.578 119.914 0.087 0.000 2.293 51 V HA 0.193 4.313 4.120 -0.000 0.000 0.275 51 V C -2.115 173.859 176.094 -0.199 0.000 1.021 51 V CA -1.669 60.579 62.300 -0.087 0.000 0.815 51 V CB 0.905 32.731 31.823 0.005 0.000 1.025 51 V HN 0.764 nan 8.190 nan 0.000 0.448 52 P HA 0.131 nan 4.420 nan 0.000 0.266 52 P C -0.739 176.511 177.300 -0.083 0.000 1.215 52 P CA 0.345 63.240 63.100 -0.341 0.000 0.763 52 P CB 1.235 32.728 31.700 -0.345 0.000 0.806 53 V N 3.373 123.295 119.914 0.012 0.000 2.686 53 V HA 0.788 4.908 4.120 -0.000 0.000 0.306 53 V C 0.413 176.525 176.094 0.030 0.000 1.065 53 V CA 0.186 62.498 62.300 0.021 0.000 0.894 53 V CB 1.418 33.261 31.823 0.034 0.000 1.004 53 V HN 1.049 nan 8.190 nan 0.000 0.424 54 G N 3.498 112.309 108.800 0.018 0.000 2.541 54 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.686 54 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.686 54 G C -1.068 173.829 174.900 -0.006 0.000 1.286 54 G CA -0.877 44.230 45.100 0.011 0.000 0.894 54 G HN 0.759 nan 8.290 nan 0.000 0.575 55 L N 1.963 123.173 121.223 -0.021 0.000 2.452 55 L HA 0.407 4.747 4.340 -0.000 0.000 0.267 55 L C -1.109 175.714 176.870 -0.078 0.000 1.188 55 L CA -1.504 53.304 54.840 -0.053 0.000 0.821 55 L CB 0.605 42.627 42.059 -0.062 0.000 1.102 55 L HN 0.514 nan 8.230 nan 0.000 0.470 56 P HA 0.022 nan 4.420 nan 0.000 0.274 56 P C -0.244 176.959 177.300 -0.162 0.000 1.237 56 P CA -0.446 62.587 63.100 -0.113 0.000 0.793 56 P CB 0.937 32.578 31.700 -0.098 0.000 0.977 57 Q N 1.643 121.394 119.800 -0.082 0.000 2.152 57 Q HA -0.245 4.095 4.340 -0.000 0.000 0.206 57 Q C 1.942 177.951 176.000 0.016 0.000 0.985 57 Q CA 2.314 58.055 55.803 -0.103 0.000 0.863 57 Q CB -1.227 27.468 28.738 -0.071 0.000 0.904 57 Q HN 0.704 nan 8.270 nan 0.000 0.422 58 H N -2.443 116.683 119.070 0.093 0.000 2.563 58 H HA 0.111 4.667 4.556 -0.000 0.000 0.272 58 H C 0.977 176.381 175.328 0.127 0.000 1.005 58 H CA 1.056 57.192 56.048 0.147 0.000 1.171 58 H CB -0.121 29.706 29.762 0.109 0.000 1.351 58 H HN 0.263 nan 8.280 nan 0.000 0.602 59 M N 0.284 119.736 119.600 -0.248 0.000 2.356 59 M HA 0.214 4.694 4.480 -0.000 0.000 0.262 59 M C -0.354 175.939 176.300 -0.011 0.000 1.097 59 M CA -0.195 55.023 55.300 -0.135 0.000 0.991 59 M CB 0.538 32.999 32.600 -0.232 0.000 1.450 59 M HN 0.179 nan 8.290 nan 0.000 0.495 60 M N 1.411 121.033 119.600 0.036 0.000 2.211 60 M HA 0.333 4.813 4.480 -0.000 0.000 0.356 60 M C -0.032 176.391 176.300 0.205 0.000 1.216 60 M CA -0.138 55.204 55.300 0.069 0.000 1.134 60 M CB 0.572 33.127 32.600 -0.075 0.000 1.564 60 M HN 0.153 nan 8.290 nan 0.000 0.463 61 L N 2.177 123.498 121.223 0.163 0.000 2.476 61 L HA 0.171 4.511 4.340 -0.000 0.000 0.255 61 L C 0.565 177.583 176.870 0.247 0.000 1.218 61 L CA -0.113 54.830 54.840 0.171 0.000 0.819 61 L CB 0.414 42.545 42.059 0.120 0.000 1.119 61 L HN 0.579 nan 8.230 nan 0.000 0.485 62 Q N 0.420 120.327 119.800 0.179 0.000 2.394 62 Q HA 0.238 4.578 4.340 -0.000 0.000 0.273 62 Q C -1.013 175.050 176.000 0.105 0.000 1.089 62 Q CA -0.808 55.092 55.803 0.162 0.000 0.812 62 Q CB 2.527 31.305 28.738 0.067 0.000 1.353 62 Q HN 0.456 nan 8.270 nan 0.000 0.438 63 E N 0.045 120.305 120.200 0.100 0.000 2.529 63 E HA 0.035 4.385 4.350 -0.000 0.000 0.259 63 E C 0.475 177.098 176.600 0.038 0.000 0.966 63 E CA 1.416 57.858 56.400 0.069 0.000 0.937 63 E CB 0.073 29.808 29.700 0.059 0.000 0.923 63 E HN 0.829 nan 8.360 nan 0.000 0.468 64 G N 3.784 112.605 108.800 0.034 0.000 2.284 64 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.216 64 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.216 64 G C 0.357 175.272 174.900 0.024 0.000 1.009 64 G CA 0.126 45.238 45.100 0.020 0.000 0.625 64 G HN 0.533 nan 8.290 nan 0.000 0.501 65 M N 3.025 122.646 119.600 0.035 0.000 2.243 65 M HA 0.351 4.831 4.480 -0.000 0.000 0.341 65 M C -1.526 174.796 176.300 0.036 0.000 1.130 65 M CA -1.137 54.185 55.300 0.036 0.000 1.162 65 M CB 0.133 32.763 32.600 0.050 0.000 1.497 65 M HN 0.144 nan 8.290 nan 0.000 0.456 66 P HA 0.222 nan 4.420 nan 0.000 0.271 66 P C -2.603 174.716 177.300 0.033 0.000 1.216 66 P CA -0.917 62.200 63.100 0.028 0.000 0.776 66 P CB -0.515 31.198 31.700 0.022 0.000 0.881 67 P HA 0.173 nan 4.420 nan 0.000 0.269 67 P C -2.211 175.106 177.300 0.029 0.000 1.215 67 P CA -0.924 62.197 63.100 0.034 0.000 0.780 67 P CB -0.709 31.009 31.700 0.031 0.000 0.898 68 P HA 0.257 nan 4.420 nan 0.000 0.276 68 P C -2.370 174.939 177.300 0.016 0.000 1.244 68 P CA -1.634 61.481 63.100 0.024 0.000 0.801 68 P CB -0.681 31.035 31.700 0.027 0.000 1.006 69 P HA 0.049 nan 4.420 nan 0.000 0.267 69 P C -1.696 175.604 177.300 0.000 0.000 1.200 69 P CA -1.057 62.047 63.100 0.006 0.000 0.772 69 P CB -0.374 31.329 31.700 0.005 0.000 0.855 70 P HA -0.278 nan 4.420 nan 0.000 0.218 70 P C 1.484 178.773 177.300 -0.019 0.000 1.154 70 P CA 2.446 65.538 63.100 -0.014 0.000 0.872 70 P CB -0.468 31.223 31.700 -0.016 0.000 0.790 71 E N 0.562 120.754 120.200 -0.014 0.000 2.110 71 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 71 E C 1.958 178.551 176.600 -0.012 0.000 0.988 71 E CA 1.758 58.149 56.400 -0.015 0.000 0.804 71 E CB -1.301 28.393 29.700 -0.010 0.000 0.745 71 E HN 0.361 nan 8.360 nan 0.000 0.458 72 E N 0.249 120.446 120.200 -0.004 0.000 2.107 72 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 72 E C 2.061 178.662 176.600 0.001 0.000 0.982 72 E CA 1.455 57.857 56.400 0.002 0.000 0.809 72 E CB -0.127 29.579 29.700 0.010 0.000 0.756 72 E HN 0.677 nan 8.360 nan 0.000 0.459 73 E N -0.363 119.835 120.200 -0.004 0.000 2.077 73 E HA -0.285 4.065 4.350 -0.000 0.000 0.193 73 E C 1.971 178.552 176.600 -0.031 0.000 0.989 73 E CA 1.340 57.736 56.400 -0.007 0.000 0.800 73 E CB -0.106 29.587 29.700 -0.012 0.000 0.746 73 E HN 0.118 nan 8.360 nan 0.000 0.452 74 Q N 1.118 120.890 119.800 -0.047 0.000 2.124 74 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 74 Q C 2.044 178.017 176.000 -0.044 0.000 0.977 74 Q CA 1.754 57.515 55.803 -0.071 0.000 0.850 74 Q CB -0.267 28.431 28.738 -0.067 0.000 0.901 74 Q HN 0.215 nan 8.270 nan 0.000 0.429 75 R N -0.648 119.840 120.500 -0.020 0.000 2.081 75 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 75 R C 2.226 178.533 176.300 0.013 0.000 1.131 75 R CA 1.376 57.474 56.100 -0.004 0.000 0.960 75 R CB -0.274 30.026 30.300 0.001 0.000 0.856 75 R HN 0.360 nan 8.270 nan 0.000 0.436 76 L N 0.147 121.382 121.223 0.020 0.000 2.056 76 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 76 L C 2.720 179.637 176.870 0.078 0.000 1.078 76 L CA 1.201 56.068 54.840 0.045 0.000 0.749 76 L CB -0.502 41.586 42.059 0.048 0.000 0.901 76 L HN 0.293 nan 8.230 nan 0.000 0.433 77 A N 0.105 122.957 122.820 0.055 0.000 1.883 77 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 77 A C 2.512 180.185 177.584 0.149 0.000 1.186 77 A CA 1.929 54.028 52.037 0.103 0.000 0.624 77 A CB -0.745 18.126 19.000 -0.214 0.000 0.822 77 A HN 0.408 nan 8.150 nan 0.000 0.444 78 A N -0.702 122.150 122.820 0.054 0.000 1.898 78 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 78 A C 2.273 179.906 177.584 0.082 0.000 1.181 78 A CA 1.789 53.862 52.037 0.060 0.000 0.620 78 A CB -0.553 18.454 19.000 0.012 0.000 0.819 78 A HN 0.648 nan 8.150 nan 0.000 0.442 79 M N -0.386 119.256 119.600 0.070 0.000 2.080 79 M HA -0.173 4.307 4.480 -0.000 0.000 0.260 79 M C 2.014 178.368 176.300 0.090 0.000 1.068 79 M CA 2.421 57.762 55.300 0.068 0.000 1.109 79 M CB -0.641 31.991 32.600 0.052 0.000 1.342 79 M HN 0.380 nan 8.290 nan 0.000 0.405 80 T N 0.640 115.258 114.554 0.108 0.000 2.699 80 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 80 T C 1.717 176.477 174.700 0.101 0.000 1.036 80 T CA 1.873 64.035 62.100 0.102 0.000 1.147 80 T CB -0.373 68.572 68.868 0.128 0.000 0.862 80 T HN 0.320 nan 8.240 nan 0.000 0.446 81 V N 1.078 121.078 119.914 0.144 0.000 2.379 81 V HA -0.047 4.073 4.120 -0.000 0.000 0.243 81 V C 2.428 178.691 176.094 0.282 0.000 1.035 81 V CA 1.306 63.721 62.300 0.191 0.000 1.035 81 V CB -0.442 31.513 31.823 0.221 0.000 0.673 81 V HN 0.509 nan 8.190 nan 0.000 0.457 82 E N 0.837 121.161 120.200 0.206 0.000 2.153 82 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 82 E C 2.202 178.919 176.600 0.196 0.000 0.988 82 E CA 1.738 58.260 56.400 0.203 0.000 0.811 82 E CB -0.274 29.478 29.700 0.086 0.000 0.746 82 E HN 0.720 nan 8.360 nan 0.000 0.466 83 M N 0.046 119.725 119.600 0.131 0.000 2.374 83 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 83 M C 1.646 177.996 176.300 0.083 0.000 1.067 83 M CA 1.230 56.585 55.300 0.092 0.000 1.103 83 M CB -0.133 32.504 32.600 0.061 0.000 1.402 83 M HN -0.128 nan 8.290 nan 0.000 0.444 84 Q N 1.145 120.992 119.800 0.079 0.000 2.016 84 Q HA -0.023 4.317 4.340 -0.000 0.000 0.200 84 Q C 1.972 177.938 176.000 -0.057 0.000 0.978 84 Q CA 1.771 57.557 55.803 -0.028 0.000 0.833 84 Q CB -0.930 27.726 28.738 -0.136 0.000 0.895 84 Q HN 0.653 nan 8.270 nan 0.000 0.427 85 F N 1.797 121.757 119.950 0.016 0.000 2.269 85 F HA -0.158 4.369 4.527 -0.000 0.000 0.301 85 F C 1.820 177.628 175.800 0.012 0.000 1.082 85 F CA 1.114 59.122 58.000 0.013 0.000 1.360 85 F CB -0.053 38.952 39.000 0.009 0.000 1.041 85 F HN 0.081 nan 8.300 nan 0.000 0.512 86 D N -0.429 120.083 120.400 0.186 0.000 2.183 86 D HA 0.005 4.645 4.640 -0.000 0.000 0.205 86 D C 2.189 178.527 176.300 0.063 0.000 0.962 86 D CA 1.300 55.365 54.000 0.107 0.000 0.849 86 D CB -0.231 40.618 40.800 0.083 0.000 0.978 86 D HN 0.276 nan 8.370 nan 0.000 0.488 87 A N 0.229 123.077 122.820 0.046 0.000 2.035 87 A HA 0.092 4.412 4.320 -0.000 0.000 0.208 87 A C 2.287 179.879 177.584 0.013 0.000 1.206 87 A CA 0.117 52.168 52.037 0.024 0.000 0.773 87 A CB -0.163 18.848 19.000 0.019 0.000 0.878 87 A HN 0.061 nan 8.150 nan 0.000 0.469 88 V N 0.944 120.856 119.914 -0.003 0.000 2.407 88 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 88 V C -0.305 175.787 176.094 -0.002 0.000 1.055 88 V CA 2.412 64.704 62.300 -0.013 0.000 1.049 88 V CB -1.558 30.230 31.823 -0.057 0.000 0.662 88 V HN 0.338 nan 8.190 nan 0.000 0.455 89 P HA -0.150 nan 4.420 nan 0.000 0.214 89 P C 1.792 179.103 177.300 0.018 0.000 1.163 89 P CA 2.046 65.155 63.100 0.016 0.000 0.889 89 P CB -0.352 31.368 31.700 0.034 0.000 0.790 90 G N -0.119 108.692 108.800 0.018 0.000 2.421 90 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 90 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 90 G C 1.649 176.557 174.900 0.013 0.000 1.171 90 G CA 0.936 46.045 45.100 0.015 0.000 0.775 90 G HN 0.336 nan 8.290 nan 0.000 0.543 91 A N 0.794 123.622 122.820 0.014 0.000 2.067 91 A HA 0.393 4.713 4.320 -0.000 0.000 0.219 91 A C 2.563 180.158 177.584 0.019 0.000 1.158 91 A CA 1.858 53.904 52.037 0.017 0.000 0.661 91 A CB -0.388 18.624 19.000 0.020 0.000 0.801 91 A HN 0.751 nan 8.150 nan 0.000 0.452 92 A N -0.687 122.144 122.820 0.019 0.000 2.208 92 A HA 0.428 4.748 4.320 -0.000 0.000 0.209 92 A C 1.102 178.698 177.584 0.020 0.000 1.161 92 A CA 0.964 53.015 52.037 0.023 0.000 0.782 92 A CB -0.922 18.092 19.000 0.024 0.000 0.816 92 A HN 0.731 nan 8.150 nan 0.000 0.477 93 E N -0.125 120.085 120.200 0.017 0.000 2.585 93 E HA 0.358 4.708 4.350 -0.000 0.000 0.252 93 E C 1.248 177.856 176.600 0.013 0.000 0.981 93 E CA 0.394 56.802 56.400 0.014 0.000 0.943 93 E CB -1.117 28.590 29.700 0.012 0.000 0.923 93 E HN 1.924 nan 8.360 nan 0.000 0.486 94 G N 0.962 109.770 108.800 0.013 0.000 2.148 94 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.254 94 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.254 94 G C 0.480 175.386 174.900 0.011 0.000 0.981 94 G CA 0.313 45.420 45.100 0.010 0.000 0.670 94 G HN 1.132 nan 8.290 nan 0.000 0.528 95 C N -0.143 119.166 119.300 0.016 0.000 2.366 95 C HA 0.798 5.258 4.460 -0.000 0.000 0.345 95 C C 1.735 176.739 174.990 0.024 0.000 1.209 95 C CA 0.282 59.311 59.018 0.018 0.000 2.050 95 C CB 1.433 29.187 27.740 0.024 0.000 2.359 95 C HN 0.876 nan 8.230 nan 0.000 0.527 96 A N 1.143 123.977 122.820 0.023 0.000 2.197 96 A HA 0.694 5.014 4.320 -0.000 0.000 0.210 96 A C 0.692 178.308 177.584 0.054 0.000 1.180 96 A CA 0.838 52.894 52.037 0.031 0.000 0.846 96 A CB 0.040 19.052 19.000 0.019 0.000 0.884 96 A HN 1.230 nan 8.150 nan 0.000 0.487 97 A N -1.476 121.380 122.820 0.060 0.000 2.599 97 A HA 0.641 4.961 4.320 -0.000 0.000 0.290 97 A C -1.573 176.070 177.584 0.098 0.000 1.101 97 A CA -0.371 51.728 52.037 0.105 0.000 0.674 97 A CB 0.948 20.023 19.000 0.124 0.000 1.277 97 A HN 0.551 nan 8.150 nan 0.000 0.419 98 V N 0.326 120.327 119.914 0.144 0.000 2.623 98 V HA 0.587 4.707 4.120 -0.000 0.000 0.304 98 V C -0.906 175.222 176.094 0.056 0.000 1.054 98 V CA -0.562 61.811 62.300 0.121 0.000 0.882 98 V CB 1.654 33.594 31.823 0.194 0.000 1.002 98 V HN 0.785 nan 8.190 nan 0.000 0.424 99 V N 3.630 123.549 119.914 0.007 0.000 2.444 99 V HA 0.833 4.953 4.120 -0.000 0.000 0.294 99 V C 0.323 176.395 176.094 -0.037 0.000 1.022 99 V CA -0.426 61.841 62.300 -0.054 0.000 0.850 99 V CB 1.663 33.485 31.823 -0.002 0.000 0.992 99 V HN 1.027 nan 8.190 nan 0.000 0.426 100 A N 4.881 127.635 122.820 -0.111 0.000 2.325 100 A HA 0.955 5.275 4.320 -0.000 0.000 0.333 100 A C -0.777 176.830 177.584 0.037 0.000 1.155 100 A CA -0.539 51.543 52.037 0.075 0.000 0.814 100 A CB 1.595 20.771 19.000 0.294 0.000 1.206 100 A HN 0.719 nan 8.150 nan 0.000 0.482 101 V N 0.864 120.785 119.914 0.012 0.000 2.971 101 V HA 0.831 4.951 4.120 -0.000 0.000 0.309 101 V C 0.686 176.747 176.094 -0.054 0.000 1.130 101 V CA 0.461 62.664 62.300 -0.162 0.000 0.964 101 V CB 1.168 32.880 31.823 -0.185 0.000 1.029 101 V HN 2.347 nan 8.190 nan 0.000 0.427 102 G N 3.423 112.150 108.800 -0.122 0.000 2.445 102 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.212 102 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.212 102 G C -0.397 174.535 174.900 0.054 0.000 1.217 102 G CA 0.093 45.162 45.100 -0.053 0.000 1.002 102 G HN 1.075 nan 8.290 nan 0.000 0.574 103 D N 0.258 120.683 120.400 0.041 0.000 2.581 103 D HA 0.216 4.856 4.640 -0.000 0.000 0.238 103 D C 1.763 178.070 176.300 0.012 0.000 1.145 103 D CA 0.508 54.536 54.000 0.047 0.000 0.866 103 D CB 0.595 41.419 40.800 0.040 0.000 1.151 103 D HN 0.689 nan 8.370 nan 0.000 0.500 104 L N 5.297 126.498 121.223 -0.036 0.000 2.042 104 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 104 L C 2.101 178.905 176.870 -0.110 0.000 1.076 104 L CA 2.363 57.037 54.840 -0.276 0.000 0.749 104 L CB -0.859 40.949 42.059 -0.418 0.000 0.893 104 L HN 0.644 nan 8.230 nan 0.000 0.432 105 A N -0.595 122.229 122.820 0.006 0.000 1.908 105 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 105 A C 2.455 179.946 177.584 -0.156 0.000 1.181 105 A CA 2.034 53.906 52.037 -0.275 0.000 0.627 105 A CB -1.213 17.123 19.000 -1.106 0.000 0.818 105 A HN 0.582 nan 8.150 nan 0.000 0.445 106 A N -0.217 122.545 122.820 -0.096 0.000 1.902 106 A HA 0.162 4.482 4.320 -0.000 0.000 0.217 106 A C 2.499 180.050 177.584 -0.055 0.000 1.181 106 A CA 2.057 54.069 52.037 -0.041 0.000 0.623 106 A CB -1.027 17.973 19.000 -0.002 0.000 0.818 106 A HN 1.134 nan 8.150 nan 0.000 0.443 107 A N -0.123 122.647 122.820 -0.083 0.000 1.978 107 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 107 A C 2.422 179.871 177.584 -0.226 0.000 1.170 107 A CA 2.581 54.555 52.037 -0.105 0.000 0.636 107 A CB -1.418 17.367 19.000 -0.359 0.000 0.810 107 A HN 0.813 nan 8.150 nan 0.000 0.448 108 T N -2.941 111.518 114.554 -0.158 0.000 2.821 108 T HA 0.044 4.394 4.350 -0.000 0.000 0.267 108 T C 1.862 176.528 174.700 -0.057 0.000 1.046 108 T CA 1.604 63.678 62.100 -0.044 0.000 1.139 108 T CB -0.760 68.211 68.868 0.171 0.000 0.871 108 T HN 0.384 nan 8.240 nan 0.000 0.454 109 G N 1.037 109.771 108.800 -0.110 0.000 2.394 109 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.215 109 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.215 109 G C 1.643 176.250 174.900 -0.489 0.000 1.165 109 G CA 0.793 45.687 45.100 -0.343 0.000 0.784 109 G HN 0.469 nan 8.290 nan 0.000 0.535 110 V N 0.805 120.555 119.914 -0.275 0.000 2.295 110 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 110 V C 2.761 178.669 176.094 -0.311 0.000 1.049 110 V CA 2.165 64.355 62.300 -0.183 0.000 1.024 110 V CB -0.527 31.342 31.823 0.077 0.000 0.648 110 V HN 0.384 nan 8.190 nan 0.000 0.447 111 R N 0.018 120.096 120.500 -0.703 0.000 2.105 111 R HA -0.162 4.178 4.340 -0.000 0.000 0.239 111 R C 2.451 178.487 176.300 -0.440 0.000 1.135 111 R CA 1.824 57.238 56.100 -1.142 0.000 0.967 111 R CB -0.254 28.902 30.300 -1.907 0.000 0.861 111 R HN 0.535 nan 8.270 nan 0.000 0.442 112 S N -0.146 115.420 115.700 -0.223 0.000 2.368 112 S HA -0.103 4.367 4.470 -0.000 0.000 0.225 112 S C 1.889 176.424 174.600 -0.108 0.000 1.030 112 S CA 1.344 59.518 58.200 -0.043 0.000 0.999 112 S CB -0.079 63.124 63.200 0.006 0.000 0.844 112 S HN 0.157 nan 8.310 nan 0.000 0.459 113 V N 1.940 121.704 119.914 -0.250 0.000 2.358 113 V HA -0.152 3.968 4.120 -0.000 0.000 0.246 113 V C 2.629 178.688 176.094 -0.058 0.000 1.047 113 V CA 1.572 63.786 62.300 -0.143 0.000 1.035 113 V CB -1.173 30.537 31.823 -0.188 0.000 0.658 113 V HN 0.530 nan 8.190 nan 0.000 0.452 114 A N -0.290 122.492 122.820 -0.063 0.000 1.902 114 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 114 A C 2.282 179.866 177.584 0.001 0.000 1.181 114 A CA 2.079 54.118 52.037 0.003 0.000 0.623 114 A CB -0.500 18.541 19.000 0.067 0.000 0.818 114 A HN 0.639 nan 8.150 nan 0.000 0.443 115 E N -0.362 119.824 120.200 -0.023 0.000 2.077 115 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 115 E C 2.006 178.622 176.600 0.026 0.000 0.989 115 E CA 1.555 57.962 56.400 0.013 0.000 0.800 115 E CB -0.073 29.657 29.700 0.050 0.000 0.746 115 E HN 0.427 nan 8.360 nan 0.000 0.452 116 K N 0.749 121.166 120.400 0.027 0.000 2.057 116 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 116 K C 1.833 178.451 176.600 0.029 0.000 1.049 116 K CA 1.325 57.633 56.287 0.036 0.000 0.931 116 K CB -0.250 32.280 32.500 0.050 0.000 0.714 116 K HN 0.212 nan 8.250 nan 0.000 0.440 117 L N -0.440 120.798 121.223 0.024 0.000 2.599 117 L HA 0.203 4.543 4.340 -0.000 0.000 0.230 117 L C 0.878 177.764 176.870 0.027 0.000 1.141 117 L CA 0.322 55.177 54.840 0.025 0.000 0.877 117 L CB -0.463 41.611 42.059 0.025 0.000 1.009 117 L HN 0.531 nan 8.230 nan 0.000 0.447 118 G N 1.329 110.145 108.800 0.027 0.000 2.246 118 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.273 118 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.273 118 G C -0.064 174.856 174.900 0.034 0.000 1.055 118 G CA 0.019 45.135 45.100 0.027 0.000 0.851 118 G HN 0.275 nan 8.290 nan 0.000 0.500 119 L N 0.757 122.006 121.223 0.043 0.000 2.325 119 L HA 0.515 4.855 4.340 -0.000 0.000 0.278 119 L C -1.494 175.422 176.870 0.076 0.000 1.023 119 L CA -2.477 52.400 54.840 0.061 0.000 0.811 119 L CB 1.693 43.794 42.059 0.070 0.000 1.249 119 L HN -0.045 nan 8.230 nan 0.000 0.431 120 P HA 0.024 nan 4.420 nan 0.000 0.268 120 P C -1.181 176.181 177.300 0.103 0.000 1.205 120 P CA 0.138 63.273 63.100 0.058 0.000 0.771 120 P CB 0.655 32.431 31.700 0.127 0.000 0.858 121 F N 3.440 123.247 119.950 -0.238 0.000 2.520 121 F HA 0.629 5.156 4.527 -0.000 0.000 0.322 121 F C -1.566 173.983 175.800 -0.418 0.000 1.103 121 F CA -0.948 56.944 58.000 -0.180 0.000 0.926 121 F CB 1.224 40.115 39.000 -0.182 0.000 1.154 121 F HN 0.105 nan 8.300 nan 0.000 0.453 122 F N 5.574 125.002 119.950 -0.871 0.000 2.565 122 F HA 0.451 4.978 4.527 -0.000 0.000 0.313 122 F C -1.447 173.851 175.800 -0.837 0.000 1.091 122 F CA -1.017 56.617 58.000 -0.609 0.000 0.915 122 F CB 1.777 40.630 39.000 -0.246 0.000 1.208 122 F HN 0.447 nan 8.300 nan 0.000 0.453 123 Y N 1.817 121.890 120.300 -0.378 0.000 2.425 123 Y HA 0.662 5.212 4.550 -0.000 0.000 0.344 123 Y C -0.735 175.097 175.900 -0.113 0.000 0.969 123 Y CA -0.990 56.950 58.100 -0.267 0.000 1.052 123 Y CB 1.851 40.231 38.460 -0.134 0.000 1.215 123 Y HN 0.605 nan 8.280 nan 0.000 0.451 124 S N 4.931 120.156 115.700 -0.791 0.000 2.566 124 S HA 0.873 5.343 4.470 -0.000 0.000 0.298 124 S C -1.031 172.950 174.600 -1.031 0.000 1.083 124 S CA -0.449 57.297 58.200 -0.756 0.000 0.978 124 S CB 1.428 64.110 63.200 -0.864 0.000 1.073 124 S HN 1.113 nan 8.310 nan 0.000 0.491 125 V N -1.627 117.892 119.914 -0.658 0.000 2.864 125 V HA 0.745 4.865 4.120 -0.000 0.000 0.314 125 V C -2.375 173.495 176.094 -0.373 0.000 1.073 125 V CA -2.309 59.686 62.300 -0.509 0.000 0.956 125 V CB 1.750 33.447 31.823 -0.209 0.000 1.023 125 V HN 0.774 nan 8.190 nan 0.000 0.435 126 P HA 0.136 nan 4.420 nan 0.000 0.245 126 P C 0.246 177.643 177.300 0.160 0.000 1.206 126 P CA 0.710 63.745 63.100 -0.110 0.000 0.781 126 P CB 0.420 32.075 31.700 -0.075 0.000 0.994 127 S N -1.828 113.972 115.700 0.166 0.000 2.567 127 S HA 0.376 4.846 4.470 -0.000 0.000 0.270 127 S C -2.696 171.879 174.600 -0.042 0.000 1.152 127 S CA -1.133 57.123 58.200 0.093 0.000 0.835 127 S CB 1.419 64.653 63.200 0.056 0.000 1.115 127 S HN -0.255 nan 8.310 nan 0.000 0.459 128 P HA -0.037 nan 4.420 nan 0.000 0.225 128 P C 1.516 178.706 177.300 -0.184 0.000 1.148 128 P CA 1.243 64.216 63.100 -0.213 0.000 0.779 128 P CB -0.458 31.088 31.700 -0.258 0.000 0.780 129 V N -5.462 114.255 119.914 -0.329 0.000 3.510 129 V HA -0.013 4.107 4.120 -0.000 0.000 0.270 129 V C 1.448 177.515 176.094 -0.045 0.000 1.201 129 V CA 0.818 62.994 62.300 -0.208 0.000 1.166 129 V CB -2.122 29.456 31.823 -0.408 0.000 0.825 129 V HN -0.045 nan 8.190 nan 0.000 0.484 130 Y N 0.312 120.699 120.300 0.146 0.000 2.485 130 Y HA 0.560 5.110 4.550 -0.000 0.000 0.260 130 Y C 0.693 176.772 175.900 0.297 0.000 1.173 130 Y CA -0.351 57.921 58.100 0.286 0.000 1.252 130 Y CB 0.605 39.154 38.460 0.149 0.000 1.123 130 Y HN 0.228 nan 8.280 nan 0.000 0.524 131 L N 0.537 121.881 121.223 0.202 0.000 2.325 131 L HA 0.631 4.971 4.340 -0.000 0.000 0.281 131 L C 0.074 176.524 176.870 -0.699 0.000 1.004 131 L CA -1.151 53.605 54.840 -0.140 0.000 0.823 131 L CB 1.466 43.465 42.059 -0.100 0.000 1.236 131 L HN -0.040 nan 8.230 nan 0.000 0.415 132 A N 3.092 125.207 122.820 -1.176 0.000 2.520 132 A HA 0.554 4.874 4.320 -0.000 0.000 0.245 132 A C 0.291 177.270 177.584 -1.008 0.000 1.072 132 A CA 0.350 51.223 52.037 -1.939 0.000 0.761 132 A CB 0.169 18.520 19.000 -1.083 0.000 1.004 132 A HN 0.811 nan 8.150 nan 0.000 0.499 133 S N 1.365 116.476 115.700 -0.982 0.000 2.627 133 S HA 0.594 5.064 4.470 -0.000 0.000 0.268 133 S C -3.027 171.424 174.600 -0.248 0.000 1.130 133 S CA -0.671 57.296 58.200 -0.388 0.000 0.819 133 S CB 1.034 64.154 63.200 -0.133 0.000 1.100 133 S HN 0.204 nan 8.310 nan 0.000 0.465 134 P HA 0.206 nan 4.420 nan 0.000 0.245 134 P C 0.817 177.960 177.300 -0.261 0.000 1.206 134 P CA 0.503 63.458 63.100 -0.242 0.000 0.781 134 P CB -0.142 31.355 31.700 -0.339 0.000 0.994 135 H N -0.989 118.104 119.070 0.038 0.000 2.448 135 H HA 0.223 4.779 4.556 -0.000 0.000 0.292 135 H C 0.762 176.141 175.328 0.085 0.000 1.035 135 H CA 0.793 56.870 56.048 0.050 0.000 1.349 135 H CB 0.269 30.044 29.762 0.022 0.000 1.425 135 H HN 0.161 nan 8.280 nan 0.000 0.539 136 L N 1.910 123.266 121.223 0.222 0.000 2.431 136 L HA 0.348 4.688 4.340 -0.000 0.000 0.266 136 L C -2.461 174.575 176.870 0.276 0.000 0.978 136 L CA -2.165 52.794 54.840 0.198 0.000 0.822 136 L CB 3.164 45.303 42.059 0.133 0.000 1.310 136 L HN -0.112 nan 8.230 nan 0.000 0.409 137 P HA 0.256 nan 4.420 nan 0.000 0.274 137 P C -2.733 174.351 177.300 -0.360 0.000 1.237 137 P CA -1.590 61.436 63.100 -0.124 0.000 0.793 137 P CB 0.117 31.728 31.700 -0.149 0.000 0.977 138 P HA 0.051 nan 4.420 nan 0.000 0.270 138 P C -0.184 176.617 177.300 -0.833 0.000 1.223 138 P CA 0.101 62.553 63.100 -1.081 0.000 0.785 138 P CB 0.049 30.843 31.700 -1.510 0.000 0.923 139 A N 1.644 124.020 122.820 -0.741 0.000 2.531 139 A HA 0.011 4.331 4.320 -0.000 0.000 0.236 139 A C -0.435 176.829 177.584 -0.533 0.000 1.062 139 A CA 0.177 51.790 52.037 -0.706 0.000 0.760 139 A CB -0.884 17.539 19.000 -0.962 0.000 0.995 139 A HN 0.512 nan 8.150 nan 0.000 0.501 140 Y N 1.773 122.004 120.300 -0.115 0.000 2.570 140 Y HA 0.157 4.707 4.550 -0.000 0.000 0.336 140 Y C 0.510 176.415 175.900 0.007 0.000 1.284 140 Y CA 0.060 58.130 58.100 -0.050 0.000 1.761 140 Y CB 0.086 38.537 38.460 -0.015 0.000 1.724 140 Y HN 0.810 nan 8.280 nan 0.000 0.455 141 D N -0.993 119.466 120.400 0.100 0.000 2.469 141 D HA 0.037 4.677 4.640 -0.000 0.000 0.213 141 D C 0.027 176.403 176.300 0.126 0.000 1.135 141 D CA -0.070 54.013 54.000 0.139 0.000 0.834 141 D CB 0.192 41.096 40.800 0.173 0.000 1.009 141 D HN 0.643 nan 8.370 nan 0.000 0.507 142 E N 0.121 120.379 120.200 0.097 0.000 2.392 142 E HA 0.464 4.814 4.350 -0.000 0.000 0.279 142 E C -2.918 173.721 176.600 0.065 0.000 0.964 142 E CA -1.823 54.629 56.400 0.085 0.000 0.777 142 E CB 1.609 31.363 29.700 0.089 0.000 1.249 142 E HN -0.212 nan 8.360 nan 0.000 0.449 143 P HA 0.079 nan 4.420 nan 0.000 0.271 143 P C -0.451 176.863 177.300 0.023 0.000 1.216 143 P CA -0.007 63.117 63.100 0.040 0.000 0.776 143 P CB 0.929 32.649 31.700 0.032 0.000 0.881 144 T N -1.927 112.637 114.554 0.017 0.000 2.942 144 T HA 0.324 4.674 4.350 -0.000 0.000 0.289 144 T C -0.003 174.695 174.700 -0.004 0.000 1.044 144 T CA -0.752 61.345 62.100 -0.005 0.000 1.023 144 T CB 0.293 69.149 68.868 -0.019 0.000 1.123 144 T HN 0.291 nan 8.240 nan 0.000 0.512 145 T N 4.036 118.583 114.554 -0.013 0.000 2.750 145 T HA 0.141 4.491 4.350 -0.000 0.000 0.277 145 T C -2.275 172.422 174.700 -0.004 0.000 0.996 145 T CA -0.238 61.857 62.100 -0.009 0.000 1.195 145 T CB -0.679 68.182 68.868 -0.013 0.000 0.963 145 T HN 0.482 nan 8.240 nan 0.000 0.516 146 P HA 0.158 nan 4.420 nan 0.000 0.261 146 P C 1.153 178.452 177.300 -0.001 0.000 1.173 146 P CA 1.020 64.120 63.100 -0.001 0.000 0.760 146 P CB 0.147 31.846 31.700 -0.001 0.000 0.783 147 G N 1.328 110.127 108.800 -0.001 0.000 2.205 147 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.261 147 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.261 147 G C 0.120 175.020 174.900 0.001 0.000 0.980 147 G CA -0.027 45.072 45.100 -0.000 0.000 0.632 147 G HN 0.542 nan 8.290 nan 0.000 0.533 148 V N 1.874 121.787 119.914 -0.001 0.000 2.461 148 V HA 0.576 4.696 4.120 -0.000 0.000 0.275 148 V C 1.363 177.457 176.094 0.001 0.000 1.047 148 V CA 0.981 63.279 62.300 -0.003 0.000 0.955 148 V CB 1.321 33.137 31.823 -0.011 0.000 0.988 148 V HN 0.717 nan 8.190 nan 0.000 0.471 149 T N -0.742 113.815 114.554 0.005 0.000 2.969 149 T HA 0.109 4.459 4.350 -0.000 0.000 0.258 149 T C 0.396 175.103 174.700 0.011 0.000 0.962 149 T CA -0.155 61.953 62.100 0.014 0.000 0.903 149 T CB -0.093 68.788 68.868 0.021 0.000 1.177 149 T HN 0.535 nan 8.240 nan 0.000 0.511 150 D N 1.444 121.848 120.400 0.006 0.000 2.451 150 D HA 0.150 4.790 4.640 -0.000 0.000 0.254 150 D C 1.204 177.513 176.300 0.013 0.000 1.204 150 D CA -0.027 53.980 54.000 0.011 0.000 0.896 150 D CB 0.098 40.903 40.800 0.009 0.000 1.136 150 D HN 0.259 nan 8.370 nan 0.000 0.499 151 I N 3.575 124.166 120.570 0.034 0.000 2.151 151 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 151 I C 2.479 178.692 176.117 0.160 0.000 1.080 151 I CA 1.115 62.462 61.300 0.078 0.000 1.339 151 I CB -0.190 37.877 38.000 0.112 0.000 1.039 151 I HN 0.496 nan 8.210 nan 0.000 0.409 152 R N 0.125 120.695 120.500 0.117 0.000 2.083 152 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 152 R C 2.301 178.667 176.300 0.109 0.000 1.137 152 R CA 1.529 57.704 56.100 0.125 0.000 0.951 152 R CB -0.570 29.757 30.300 0.046 0.000 0.851 152 R HN 0.243 nan 8.270 nan 0.000 0.434 153 V N 1.670 121.613 119.914 0.049 0.000 2.295 153 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 153 V C 2.376 178.465 176.094 -0.009 0.000 1.049 153 V CA 1.688 63.999 62.300 0.019 0.000 1.024 153 V CB -0.481 31.343 31.823 0.002 0.000 0.648 153 V HN 0.286 nan 8.190 nan 0.000 0.447 154 L N -1.755 119.436 121.223 -0.054 0.000 2.043 154 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 154 L C 2.412 179.143 176.870 -0.232 0.000 1.075 154 L CA 2.177 56.912 54.840 -0.175 0.000 0.752 154 L CB -0.547 41.345 42.059 -0.278 0.000 0.891 154 L HN 0.390 nan 8.230 nan 0.000 0.432 155 W N 0.399 121.644 121.300 -0.092 0.000 2.409 155 W HA -0.128 4.532 4.660 -0.000 0.000 0.299 155 W C 2.615 179.026 176.519 -0.180 0.000 1.203 155 W CA 0.777 58.043 57.345 -0.131 0.000 1.298 155 W CB -0.110 29.299 29.460 -0.085 0.000 1.127 155 W HN 0.100 nan 8.180 nan 0.000 0.528 156 E N 0.255 120.523 120.200 0.112 0.000 2.077 156 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 156 E C 1.780 178.361 176.600 -0.032 0.000 0.989 156 E CA 1.518 57.934 56.400 0.026 0.000 0.800 156 E CB -0.304 29.415 29.700 0.031 0.000 0.746 156 E HN 0.452 nan 8.360 nan 0.000 0.452 157 E N 0.557 120.732 120.200 -0.042 0.000 2.107 157 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 157 E C 2.174 178.725 176.600 -0.083 0.000 0.982 157 E CA 0.353 56.721 56.400 -0.052 0.000 0.809 157 E CB -0.050 29.621 29.700 -0.048 0.000 0.756 157 E HN 0.100 nan 8.360 nan 0.000 0.459 158 R N 0.909 121.320 120.500 -0.147 0.000 2.083 158 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 158 R C 2.253 178.393 176.300 -0.267 0.000 1.137 158 R CA 1.475 57.463 56.100 -0.187 0.000 0.951 158 R CB -0.209 29.914 30.300 -0.296 0.000 0.851 158 R HN 0.139 nan 8.270 nan 0.000 0.434 159 A N 0.566 123.089 122.820 -0.495 0.000 1.898 159 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 159 A C 2.342 179.889 177.584 -0.062 0.000 1.181 159 A CA 1.605 53.260 52.037 -0.636 0.000 0.620 159 A CB -0.709 17.940 19.000 -0.585 0.000 0.819 159 A HN 0.548 nan 8.150 nan 0.000 0.442 160 A N -0.290 122.514 122.820 -0.027 0.000 1.902 160 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 160 A C 2.255 179.886 177.584 0.078 0.000 1.181 160 A CA 1.746 53.809 52.037 0.044 0.000 0.623 160 A CB -0.514 18.497 19.000 0.017 0.000 0.818 160 A HN 0.553 nan 8.150 nan 0.000 0.443 161 R N -1.720 118.819 120.500 0.065 0.000 2.083 161 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 161 R C 1.986 178.379 176.300 0.155 0.000 1.137 161 R CA 1.897 58.043 56.100 0.077 0.000 0.951 161 R CB -0.469 29.869 30.300 0.063 0.000 0.851 161 R HN 0.499 nan 8.270 nan 0.000 0.434 162 F N 0.949 120.970 119.950 0.118 0.000 2.075 162 F HA -0.171 4.356 4.527 -0.000 0.000 0.297 162 F C 2.219 178.207 175.800 0.314 0.000 1.113 162 F CA 1.804 59.993 58.000 0.314 0.000 1.218 162 F CB -0.534 38.722 39.000 0.426 0.000 0.984 162 F HN 0.140 nan 8.300 nan 0.000 0.472 163 A N -0.004 123.077 122.820 0.435 0.000 1.908 163 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 163 A C 1.960 179.602 177.584 0.097 0.000 1.181 163 A CA 2.190 54.394 52.037 0.278 0.000 0.627 163 A CB -1.081 18.068 19.000 0.249 0.000 0.818 163 A HN 0.482 nan 8.150 nan 0.000 0.445 164 D N -1.121 119.311 120.400 0.054 0.000 2.144 164 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 164 D C 2.103 178.343 176.300 -0.100 0.000 0.978 164 D CA 1.314 55.305 54.000 -0.015 0.000 0.833 164 D CB -0.296 40.497 40.800 -0.012 0.000 0.961 164 D HN 0.560 nan 8.370 nan 0.000 0.470 165 R N -0.696 119.689 120.500 -0.193 0.000 2.073 165 R HA -0.103 4.237 4.340 -0.000 0.000 0.229 165 R C 1.610 177.578 176.300 -0.554 0.000 1.120 165 R CA 1.142 56.982 56.100 -0.433 0.000 0.967 165 R CB -0.029 29.867 30.300 -0.673 0.000 0.862 165 R HN 0.248 nan 8.270 nan 0.000 0.436 166 Y N -1.418 118.728 120.300 -0.256 0.000 2.507 166 Y HA 0.317 4.867 4.550 -0.000 0.000 0.263 166 Y C 2.204 178.024 175.900 -0.133 0.000 1.093 166 Y CA 0.156 58.107 58.100 -0.248 0.000 1.285 166 Y CB -0.096 38.075 38.460 -0.481 0.000 1.115 166 Y HN 0.179 nan 8.280 nan 0.000 0.533 167 G N 2.013 110.838 108.800 0.042 0.000 2.529 167 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 167 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 167 G C -0.677 174.229 174.900 0.010 0.000 1.177 167 G CA 1.232 46.359 45.100 0.045 0.000 0.773 167 G HN 0.266 nan 8.290 nan 0.000 0.573 168 P HA -0.077 nan 4.420 nan 0.000 0.215 168 P C 2.138 179.415 177.300 -0.039 0.000 1.157 168 P CA 2.096 65.177 63.100 -0.032 0.000 0.874 168 P CB -0.277 31.398 31.700 -0.042 0.000 0.790 169 T N -0.017 114.519 114.554 -0.029 0.000 2.674 169 T HA -0.148 4.202 4.350 -0.000 0.000 0.265 169 T C 1.692 176.361 174.700 -0.052 0.000 1.039 169 T CA 1.135 63.214 62.100 -0.036 0.000 1.150 169 T CB -1.069 67.803 68.868 0.007 0.000 0.864 169 T HN -0.013 nan 8.240 nan 0.000 0.427 170 L N 2.352 123.590 121.223 0.025 0.000 1.978 170 L HA -0.157 4.183 4.340 -0.000 0.000 0.218 170 L C 1.884 178.736 176.870 -0.030 0.000 1.075 170 L CA 1.916 56.797 54.840 0.069 0.000 0.767 170 L CB -0.996 41.134 42.059 0.119 0.000 0.890 170 L HN 0.125 nan 8.230 nan 0.000 0.434 171 N N -0.533 118.143 118.700 -0.040 0.000 2.309 171 N HA -0.163 4.577 4.740 -0.000 0.000 0.182 171 N C 1.979 177.427 175.510 -0.103 0.000 1.018 171 N CA 0.901 53.911 53.050 -0.067 0.000 0.876 171 N CB -0.407 38.048 38.487 -0.052 0.000 0.972 171 N HN 0.430 nan 8.380 nan 0.000 0.434 172 R N 1.004 121.430 120.500 -0.124 0.000 2.062 172 R HA 0.060 4.400 4.340 -0.000 0.000 0.229 172 R C 1.643 177.806 176.300 -0.228 0.000 1.128 172 R CA 0.748 56.763 56.100 -0.141 0.000 0.960 172 R CB 0.162 30.389 30.300 -0.122 0.000 0.855 172 R HN 0.051 nan 8.270 nan 0.000 0.432 173 R N 0.592 120.859 120.500 -0.390 0.000 2.096 173 R HA -0.062 4.278 4.340 -0.000 0.000 0.235 173 R C 2.265 178.193 176.300 -0.621 0.000 1.127 173 R CA 1.091 56.757 56.100 -0.723 0.000 0.968 173 R CB -0.558 28.849 30.300 -1.488 0.000 0.861 173 R HN 0.287 nan 8.270 nan 0.000 0.440 174 R N 0.216 120.500 120.500 -0.359 0.000 2.073 174 R HA -0.047 4.292 4.340 -0.000 0.000 0.234 174 R C 2.267 178.533 176.300 -0.056 0.000 1.134 174 R CA 1.537 57.607 56.100 -0.049 0.000 0.952 174 R CB -0.395 29.913 30.300 0.014 0.000 0.850 174 R HN 0.200 nan 8.270 nan 0.000 0.433 175 A N 1.340 124.106 122.820 -0.090 0.000 1.933 175 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 175 A C 1.813 179.362 177.584 -0.059 0.000 1.175 175 A CA 1.408 53.407 52.037 -0.063 0.000 0.628 175 A CB -0.346 18.614 19.000 -0.066 0.000 0.814 175 A HN 0.356 nan 8.150 nan 0.000 0.444 176 E N -0.259 119.886 120.200 -0.092 0.000 2.204 176 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 176 E C 1.316 177.896 176.600 -0.034 0.000 0.990 176 E CA 1.284 57.640 56.400 -0.072 0.000 0.821 176 E CB -0.337 29.299 29.700 -0.107 0.000 0.750 176 E HN 0.941 nan 8.360 nan 0.000 0.477 177 I N -3.882 116.680 120.570 -0.014 0.000 3.889 177 I HA 0.446 4.616 4.170 -0.000 0.000 0.332 177 I C 0.935 177.069 176.117 0.029 0.000 1.493 177 I CA 0.040 61.359 61.300 0.031 0.000 1.158 177 I CB 0.371 38.428 38.000 0.094 0.000 1.117 177 I HN 0.036 nan 8.210 nan 0.000 0.411 178 G N 1.828 110.633 108.800 0.008 0.000 2.148 178 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.254 178 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.254 178 G C -0.009 174.896 174.900 0.008 0.000 0.981 178 G CA 0.173 45.276 45.100 0.006 0.000 0.670 178 G HN 0.441 nan 8.290 nan 0.000 0.528 179 L N 0.958 122.189 121.223 0.014 0.000 2.334 179 L HA 0.472 4.812 4.340 -0.000 0.000 0.277 179 L C -1.696 175.164 176.870 -0.017 0.000 1.075 179 L CA -2.291 52.555 54.840 0.010 0.000 0.804 179 L CB 1.184 43.265 42.059 0.037 0.000 1.174 179 L HN -0.101 nan 8.230 nan 0.000 0.438 180 P HA 0.165 nan 4.420 nan 0.000 0.272 180 P C -2.512 174.748 177.300 -0.068 0.000 1.230 180 P CA -1.182 61.894 63.100 -0.039 0.000 0.788 180 P CB -0.198 31.482 31.700 -0.033 0.000 0.949 181 P HA 0.032 nan 4.420 nan 0.000 0.272 181 P C -0.707 176.517 177.300 -0.128 0.000 1.223 181 P CA 0.122 63.169 63.100 -0.089 0.000 0.784 181 P CB 0.487 32.152 31.700 -0.059 0.000 0.923 182 V N 3.022 122.827 119.914 -0.180 0.000 2.432 182 V HA 0.092 4.212 4.120 -0.000 0.000 0.275 182 V C 1.610 177.650 176.094 -0.091 0.000 1.043 182 V CA 0.211 62.369 62.300 -0.237 0.000 0.925 182 V CB 0.746 32.298 31.823 -0.451 0.000 0.985 182 V HN 0.600 nan 8.190 nan 0.000 0.466 183 E N 2.013 122.186 120.200 -0.045 0.000 2.127 183 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 183 E C 0.334 176.969 176.600 0.057 0.000 0.964 183 E CA 0.353 56.758 56.400 0.009 0.000 0.832 183 E CB 0.296 30.002 29.700 0.011 0.000 0.790 183 E HN 0.717 nan 8.360 nan 0.000 0.465 184 D N 0.833 121.278 120.400 0.076 0.000 2.564 184 D HA 0.042 4.682 4.640 -0.000 0.000 0.226 184 D C 0.874 177.299 176.300 0.208 0.000 1.149 184 D CA -0.118 53.968 54.000 0.143 0.000 0.994 184 D CB 0.786 41.666 40.800 0.132 0.000 1.029 184 D HN -0.179 nan 8.370 nan 0.000 0.517 185 V N 2.857 122.918 119.914 0.245 0.000 2.332 185 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 185 V C 2.087 178.484 176.094 0.505 0.000 1.055 185 V CA 1.340 63.847 62.300 0.346 0.000 1.038 185 V CB -0.771 31.259 31.823 0.344 0.000 0.651 185 V HN 0.484 nan 8.190 nan 0.000 0.450 186 F N 1.978 122.128 119.950 0.332 0.000 2.171 186 F HA -0.011 4.516 4.527 -0.000 0.000 0.300 186 F C 2.149 178.011 175.800 0.103 0.000 1.090 186 F CA 1.543 59.606 58.000 0.105 0.000 1.293 186 F CB -0.767 38.286 39.000 0.089 0.000 1.013 186 F HN 0.132 nan 8.300 nan 0.000 0.486 187 G N -1.643 107.245 108.800 0.146 0.000 2.421 187 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 187 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 187 G C 1.546 176.501 174.900 0.091 0.000 1.143 187 G CA 0.644 45.764 45.100 0.035 0.000 0.784 187 G HN 0.453 nan 8.290 nan 0.000 0.541 188 Y N 2.076 122.376 120.300 -0.001 0.000 2.151 188 Y HA -0.154 4.396 4.550 -0.000 0.000 0.284 188 Y C 2.724 178.540 175.900 -0.140 0.000 1.166 188 Y CA 1.587 59.658 58.100 -0.049 0.000 1.163 188 Y CB -0.514 37.930 38.460 -0.026 0.000 0.974 188 Y HN 0.134 nan 8.280 nan 0.000 0.511 189 G N -2.153 106.506 108.800 -0.234 0.000 2.470 189 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 189 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 189 G C 0.974 175.497 174.900 -0.628 0.000 1.121 189 G CA 0.956 45.746 45.100 -0.516 0.000 0.766 189 G HN 0.560 nan 8.290 nan 0.000 0.553 190 H N -0.018 118.811 119.070 -0.402 0.000 2.555 190 H HA 0.369 4.925 4.556 -0.000 0.000 0.269 190 H C 1.837 177.200 175.328 0.058 0.000 0.988 190 H CA 0.305 56.260 56.048 -0.155 0.000 1.178 190 H CB 0.066 29.750 29.762 -0.130 0.000 1.373 190 H HN 0.550 nan 8.280 nan 0.000 0.588 191 G N 0.506 109.363 108.800 0.095 0.000 2.741 191 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.222 191 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.222 191 G C 0.696 175.605 174.900 0.015 0.000 1.364 191 G CA 0.072 45.247 45.100 0.125 0.000 0.866 191 G HN 0.387 nan 8.290 nan 0.000 0.555 192 E N -0.037 120.145 120.200 -0.029 0.000 2.077 192 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 192 E C 1.573 178.167 176.600 -0.009 0.000 0.989 192 E CA 1.331 57.711 56.400 -0.033 0.000 0.800 192 E CB 0.123 29.787 29.700 -0.061 0.000 0.746 192 E HN 0.473 nan 8.360 nan 0.000 0.452 193 R N 0.687 121.189 120.500 0.003 0.000 2.695 193 R HA 0.182 4.522 4.340 -0.000 0.000 0.288 193 R C -2.799 173.552 176.300 0.085 0.000 1.344 193 R CA -1.805 54.317 56.100 0.036 0.000 1.005 193 R CB 1.291 31.613 30.300 0.037 0.000 1.233 193 R HN -0.087 nan 8.270 nan 0.000 0.442 194 P HA 0.035 nan 4.420 nan 0.000 0.269 194 P C -0.686 176.672 177.300 0.097 0.000 1.209 194 P CA 0.013 63.205 63.100 0.154 0.000 0.776 194 P CB 0.980 32.819 31.700 0.231 0.000 0.876 195 L N 2.732 123.997 121.223 0.070 0.000 2.282 195 L HA 0.341 4.681 4.340 -0.000 0.000 0.288 195 L C 0.544 177.378 176.870 -0.060 0.000 1.033 195 L CA -1.174 53.706 54.840 0.066 0.000 0.807 195 L CB 1.203 43.375 42.059 0.189 0.000 1.209 195 L HN 0.264 nan 8.230 nan 0.000 0.423 196 L N 4.133 125.339 121.223 -0.029 0.000 2.302 196 L HA 0.389 4.729 4.340 -0.000 0.000 0.285 196 L C 0.728 177.534 176.870 -0.107 0.000 1.090 196 L CA 0.029 54.822 54.840 -0.078 0.000 0.866 196 L CB 0.751 42.800 42.059 -0.016 0.000 1.244 196 L HN 0.680 nan 8.230 nan 0.000 0.435 197 A N 4.924 127.540 122.820 -0.341 0.000 3.051 197 A HA 0.676 4.996 4.320 -0.000 0.000 0.257 197 A C 0.482 177.878 177.584 -0.313 0.000 1.785 197 A CA 0.417 52.124 52.037 -0.550 0.000 1.420 197 A CB -1.069 16.979 19.000 -1.587 0.000 1.063 197 A HN 0.940 nan 8.150 nan 0.000 0.630 198 A N 0.321 123.104 122.820 -0.062 0.000 2.539 198 A HA 0.601 4.921 4.320 -0.000 0.000 0.296 198 A C -0.742 176.985 177.584 0.239 0.000 1.073 198 A CA -0.638 51.461 52.037 0.102 0.000 0.700 198 A CB 0.701 19.872 19.000 0.286 0.000 1.296 198 A HN 0.483 nan 8.150 nan 0.000 0.405 199 D N 1.714 122.414 120.400 0.499 0.000 2.424 199 D HA 0.280 4.920 4.640 -0.000 0.000 0.244 199 D C -1.086 175.349 176.300 0.224 0.000 1.134 199 D CA -0.984 53.214 54.000 0.329 0.000 0.881 199 D CB 1.051 42.059 40.800 0.347 0.000 1.191 199 D HN 0.212 nan 8.370 nan 0.000 0.445 200 P HA -0.130 nan 4.420 nan 0.000 0.223 200 P C 1.026 178.382 177.300 0.092 0.000 1.151 200 P CA 0.585 63.749 63.100 0.107 0.000 0.787 200 P CB 0.362 32.109 31.700 0.079 0.000 0.788 201 V N -0.326 119.643 119.914 0.091 0.000 2.575 201 V HA -0.086 4.034 4.120 -0.000 0.000 0.242 201 V C 2.549 178.683 176.094 0.066 0.000 1.045 201 V CA 0.811 63.151 62.300 0.065 0.000 1.065 201 V CB -0.956 30.898 31.823 0.051 0.000 0.717 201 V HN 0.009 nan 8.190 nan 0.000 0.467 202 L N 0.937 122.207 121.223 0.078 0.000 2.027 202 L HA 0.222 4.562 4.340 -0.000 0.000 0.206 202 L C 1.272 178.224 176.870 0.138 0.000 1.074 202 L CA 2.197 57.073 54.840 0.060 0.000 0.745 202 L CB -0.381 41.644 42.059 -0.057 0.000 0.898 202 L HN 0.222 nan 8.230 nan 0.000 0.433 203 A N 0.616 123.569 122.820 0.223 0.000 3.216 203 A HA 0.530 4.849 4.320 -0.000 0.000 0.321 203 A C -2.599 175.108 177.584 0.205 0.000 1.042 203 A CA -1.098 51.116 52.037 0.295 0.000 0.838 203 A CB -0.377 18.880 19.000 0.427 0.000 1.136 203 A HN 0.180 nan 8.150 nan 0.000 0.483 204 P HA 0.111 nan 4.420 nan 0.000 0.267 204 P C 0.116 177.453 177.300 0.062 0.000 1.205 204 P CA 0.007 63.163 63.100 0.092 0.000 0.765 204 P CB 0.899 32.638 31.700 0.065 0.000 0.828 205 L N 3.999 125.244 121.223 0.037 0.000 2.525 205 L HA -0.020 4.320 4.340 -0.000 0.000 0.278 205 L C 0.848 177.707 176.870 -0.018 0.000 1.218 205 L CA 0.563 55.406 54.840 0.005 0.000 0.878 205 L CB -0.086 41.975 42.059 0.004 0.000 1.127 205 L HN 0.409 nan 8.230 nan 0.000 0.492 206 Q N 6.672 126.449 119.800 -0.037 0.000 2.317 206 Q HA 0.485 4.825 4.340 -0.000 0.000 0.229 206 Q C -2.629 173.306 176.000 -0.107 0.000 0.984 206 Q CA -1.807 53.946 55.803 -0.083 0.000 0.911 206 Q CB 0.164 28.876 28.738 -0.045 0.000 1.217 206 Q HN 0.526 nan 8.270 nan 0.000 0.501 207 P HA 0.074 nan 4.420 nan 0.000 0.274 207 P C -0.593 176.696 177.300 -0.018 0.000 1.256 207 P CA 0.004 63.020 63.100 -0.140 0.000 0.795 207 P CB 0.351 31.930 31.700 -0.203 0.000 1.038 208 D N -2.705 117.706 120.400 0.019 0.000 2.981 208 D HA -0.099 4.541 4.640 -0.000 0.000 0.223 208 D C -0.615 175.682 176.300 -0.004 0.000 1.151 208 D CA 0.674 54.700 54.000 0.043 0.000 0.827 208 D CB -1.594 39.286 40.800 0.133 0.000 1.101 208 D HN 0.105 nan 8.370 nan 0.000 0.426 209 V N 1.138 121.037 119.914 -0.025 0.000 2.483 209 V HA 0.183 4.303 4.120 -0.000 0.000 0.297 209 V C 0.075 176.141 176.094 -0.047 0.000 1.027 209 V CA -0.770 61.495 62.300 -0.058 0.000 0.855 209 V CB 2.178 33.960 31.823 -0.069 0.000 0.995 209 V HN -0.060 nan 8.190 nan 0.000 0.424 210 D N 4.482 124.848 120.400 -0.056 0.000 2.517 210 D HA 0.576 5.216 4.640 -0.000 0.000 0.220 210 D C -0.074 176.210 176.300 -0.027 0.000 1.158 210 D CA 0.375 54.354 54.000 -0.035 0.000 0.992 210 D CB 0.658 41.436 40.800 -0.037 0.000 1.058 210 D HN 0.768 nan 8.370 nan 0.000 0.516 211 A N 2.139 124.953 122.820 -0.011 0.000 2.609 211 A HA 0.611 4.931 4.320 -0.000 0.000 0.291 211 A C -1.362 176.238 177.584 0.026 0.000 1.096 211 A CA -0.697 51.346 52.037 0.010 0.000 0.684 211 A CB 1.647 20.646 19.000 -0.002 0.000 1.282 211 A HN 0.127 nan 8.150 nan 0.000 0.412 212 V N 1.554 121.498 119.914 0.049 0.000 2.357 212 V HA 0.405 4.525 4.120 -0.000 0.000 0.284 212 V C 0.113 176.245 176.094 0.064 0.000 1.018 212 V CA -0.283 62.052 62.300 0.058 0.000 0.841 212 V CB 1.132 33.003 31.823 0.081 0.000 0.991 212 V HN 0.897 nan 8.190 nan 0.000 0.437 213 Q N 2.870 122.703 119.800 0.055 0.000 2.361 213 Q HA 0.194 4.534 4.340 -0.000 0.000 0.250 213 Q C 1.179 177.231 176.000 0.087 0.000 1.023 213 Q CA 0.151 55.993 55.803 0.065 0.000 0.915 213 Q CB 1.181 29.952 28.738 0.056 0.000 1.238 213 Q HN 0.965 nan 8.270 nan 0.000 0.451 214 T N 0.599 115.233 114.554 0.133 0.000 3.035 214 T HA 0.416 4.766 4.350 -0.000 0.000 0.259 214 T C 0.859 175.650 174.700 0.151 0.000 1.078 214 T CA 0.335 62.527 62.100 0.153 0.000 1.132 214 T CB 0.167 69.198 68.868 0.271 0.000 0.900 214 T HN 0.841 nan 8.240 nan 0.000 0.480 215 G N 0.766 109.666 108.800 0.168 0.000 2.497 215 G HA2 0.415 4.375 3.960 -0.000 0.000 0.686 215 G HA3 0.415 4.375 3.960 -0.000 0.000 0.686 215 G C -0.294 174.715 174.900 0.183 0.000 1.288 215 G CA -0.559 44.634 45.100 0.155 0.000 0.899 215 G HN 0.910 nan 8.290 nan 0.000 0.608 216 A N -0.195 122.685 122.820 0.099 0.000 2.466 216 A HA 0.492 4.812 4.320 -0.000 0.000 0.238 216 A C -0.215 177.493 177.584 0.206 0.000 1.074 216 A CA 0.576 52.580 52.037 -0.056 0.000 0.774 216 A CB 0.074 18.890 19.000 -0.306 0.000 1.015 216 A HN 1.241 nan 8.150 nan 0.000 0.498 217 W N 2.294 123.489 121.300 -0.175 0.000 2.288 217 W HA 0.607 5.267 4.660 -0.000 0.000 0.325 217 W C -0.585 175.856 176.519 -0.129 0.000 1.019 217 W CA -0.447 56.816 57.345 -0.136 0.000 1.403 217 W CB 0.089 29.464 29.460 -0.141 0.000 1.226 217 W HN 0.382 nan 8.180 nan 0.000 0.391 218 L N 4.478 125.754 121.223 0.090 0.000 2.393 218 L HA 0.588 4.928 4.340 -0.000 0.000 0.260 218 L C -0.443 176.426 176.870 -0.001 0.000 1.002 218 L CA -1.485 53.370 54.840 0.026 0.000 0.818 218 L CB 2.009 44.076 42.059 0.014 0.000 1.369 218 L HN 0.063 nan 8.230 nan 0.000 0.412 219 L N -1.164 120.048 121.223 -0.017 0.000 2.313 219 L HA 0.659 4.999 4.340 -0.000 0.000 0.268 219 L C -0.034 176.820 176.870 -0.027 0.000 1.010 219 L CA -0.584 54.237 54.840 -0.030 0.000 0.814 219 L CB 1.411 43.446 42.059 -0.040 0.000 1.304 219 L HN 0.330 nan 8.230 nan 0.000 0.441 220 S N 0.975 116.659 115.700 -0.027 0.000 2.423 220 S HA 0.111 4.581 4.470 -0.000 0.000 0.302 220 S C -0.329 174.254 174.600 -0.028 0.000 1.143 220 S CA -0.110 58.077 58.200 -0.022 0.000 1.080 220 S CB -0.665 62.523 63.200 -0.020 0.000 1.081 220 S HN 0.676 nan 8.310 nan 0.000 0.522 221 D N 2.846 123.227 120.400 -0.032 0.000 2.342 221 D HA 0.038 4.678 4.640 -0.000 0.000 0.260 221 D C 0.749 177.030 176.300 -0.031 0.000 1.278 221 D CA -0.020 53.956 54.000 -0.041 0.000 0.910 221 D CB 0.594 41.361 40.800 -0.056 0.000 1.079 221 D HN 0.402 nan 8.370 nan 0.000 0.496 222 E N 2.863 123.045 120.200 -0.029 0.000 2.447 222 E HA 0.020 4.370 4.350 -0.000 0.000 0.195 222 E C 0.390 176.978 176.600 -0.020 0.000 1.028 222 E CA -0.042 56.345 56.400 -0.021 0.000 0.876 222 E CB 0.200 29.889 29.700 -0.020 0.000 0.885 222 E HN 0.444 nan 8.360 nan 0.000 0.500 223 R N 2.666 123.150 120.500 -0.028 0.000 2.523 223 R HA -0.011 4.329 4.340 -0.000 0.000 0.281 223 R C -2.015 174.277 176.300 -0.015 0.000 0.969 223 R CA -0.289 55.796 56.100 -0.025 0.000 1.093 223 R CB -0.294 29.983 30.300 -0.040 0.000 0.917 223 R HN 0.035 nan 8.270 nan 0.000 0.408 224 P HA 0.133 nan 4.420 nan 0.000 0.284 224 P C -0.372 176.936 177.300 0.013 0.000 1.258 224 P CA -0.407 62.696 63.100 0.005 0.000 0.824 224 P CB 0.832 32.536 31.700 0.006 0.000 1.038 225 L N 3.200 124.438 121.223 0.026 0.000 2.452 225 L HA 0.255 4.595 4.340 -0.000 0.000 0.267 225 L C -1.467 175.431 176.870 0.048 0.000 1.188 225 L CA -1.828 53.039 54.840 0.044 0.000 0.821 225 L CB -0.386 41.708 42.059 0.059 0.000 1.102 225 L HN 0.289 nan 8.230 nan 0.000 0.470 226 P HA 0.079 nan 4.420 nan 0.000 0.269 226 P C -2.160 175.183 177.300 0.072 0.000 1.209 226 P CA -1.331 61.811 63.100 0.070 0.000 0.776 226 P CB 0.316 32.073 31.700 0.094 0.000 0.876 227 P HA -0.263 nan 4.420 nan 0.000 0.216 227 P C 1.496 178.830 177.300 0.056 0.000 1.157 227 P CA 2.347 65.476 63.100 0.049 0.000 0.880 227 P CB -0.533 31.194 31.700 0.045 0.000 0.791 228 E N -0.042 120.217 120.200 0.099 0.000 2.209 228 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 228 E C 2.003 178.605 176.600 0.004 0.000 0.993 228 E CA 1.500 57.980 56.400 0.135 0.000 0.819 228 E CB -1.386 28.483 29.700 0.282 0.000 0.745 228 E HN 0.240 nan 8.360 nan 0.000 0.477 229 L N -0.028 121.219 121.223 0.040 0.000 2.209 229 L HA 0.175 4.515 4.340 -0.000 0.000 0.207 229 L C 2.270 179.105 176.870 -0.059 0.000 1.094 229 L CA 2.147 56.927 54.840 -0.100 0.000 0.790 229 L CB 0.254 42.406 42.059 0.155 0.000 0.932 229 L HN 0.309 nan 8.230 nan 0.000 0.447 230 E N -0.115 120.084 120.200 -0.003 0.000 2.106 230 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 230 E C 2.123 178.708 176.600 -0.024 0.000 0.984 230 E CA 1.330 57.731 56.400 0.002 0.000 0.806 230 E CB -0.139 29.569 29.700 0.013 0.000 0.750 230 E HN 0.551 nan 8.360 nan 0.000 0.458 231 A N -0.098 122.701 122.820 -0.034 0.000 1.873 231 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 231 A C 2.124 179.663 177.584 -0.076 0.000 1.186 231 A CA 1.239 53.251 52.037 -0.041 0.000 0.616 231 A CB -0.938 18.053 19.000 -0.015 0.000 0.823 231 A HN 0.458 nan 8.150 nan 0.000 0.442 232 F N 0.789 120.558 119.950 -0.303 0.000 2.126 232 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 232 F C 1.868 177.544 175.800 -0.206 0.000 1.096 232 F CA 1.772 59.559 58.000 -0.354 0.000 1.255 232 F CB -0.236 38.282 39.000 -0.803 0.000 0.997 232 F HN 0.140 nan 8.300 nan 0.000 0.479 233 L N -0.391 120.768 121.223 -0.108 0.000 2.141 233 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 233 L C 2.738 179.511 176.870 -0.161 0.000 1.094 233 L CA 1.047 55.818 54.840 -0.115 0.000 0.763 233 L CB -1.116 40.946 42.059 0.005 0.000 0.908 233 L HN 0.259 nan 8.230 nan 0.000 0.437 234 A N 0.137 122.879 122.820 -0.131 0.000 1.897 234 A HA 0.046 4.365 4.320 -0.000 0.000 0.215 234 A C 1.957 179.456 177.584 -0.142 0.000 1.181 234 A CA 1.060 53.033 52.037 -0.106 0.000 0.620 234 A CB -0.530 18.429 19.000 -0.069 0.000 0.821 234 A HN 0.309 nan 8.150 nan 0.000 0.443 235 A N -0.216 122.492 122.820 -0.188 0.000 2.958 235 A HA 0.508 4.828 4.320 -0.000 0.000 0.247 235 A C 0.789 178.214 177.584 -0.265 0.000 1.679 235 A CA 0.745 52.668 52.037 -0.190 0.000 1.345 235 A CB -1.545 17.359 19.000 -0.159 0.000 1.013 235 A HN 1.673 nan 8.150 nan 0.000 0.641 236 G N -0.973 107.687 108.800 -0.235 0.000 2.341 236 G HA2 0.428 4.388 3.960 -0.000 0.000 0.293 236 G HA3 0.428 4.388 3.960 -0.000 0.000 0.293 236 G C -0.343 174.452 174.900 -0.174 0.000 1.298 236 G CA -0.139 44.824 45.100 -0.229 0.000 0.868 236 G HN 1.073 nan 8.290 nan 0.000 0.540 237 S N -0.316 115.305 115.700 -0.132 0.000 2.632 237 S HA 0.652 5.122 4.470 -0.000 0.000 0.267 237 S C -2.654 171.901 174.600 -0.074 0.000 1.276 237 S CA -1.080 57.071 58.200 -0.082 0.000 0.998 237 S CB 1.385 64.554 63.200 -0.051 0.000 0.953 237 S HN 0.430 nan 8.310 nan 0.000 0.547 238 P HA 0.197 nan 4.420 nan 0.000 0.260 238 P C -2.067 175.241 177.300 0.013 0.000 1.207 238 P CA -0.630 62.463 63.100 -0.012 0.000 0.780 238 P CB -0.217 31.478 31.700 -0.008 0.000 0.789 239 P HA 0.108 nan 4.420 nan 0.000 0.277 239 P C -0.756 176.592 177.300 0.081 0.000 1.271 239 P CA -0.185 62.977 63.100 0.103 0.000 0.795 239 P CB 0.885 32.730 31.700 0.242 0.000 1.101 240 V N 1.467 121.424 119.914 0.070 0.000 2.439 240 V HA 0.184 4.304 4.120 -0.000 0.000 0.282 240 V C 0.611 176.730 176.094 0.040 0.000 1.039 240 V CA -0.447 61.868 62.300 0.026 0.000 0.913 240 V CB 0.419 32.240 31.823 -0.003 0.000 0.983 240 V HN 0.631 nan 8.190 nan 0.000 0.460 241 H N 5.701 124.715 119.070 -0.092 0.000 2.489 241 H HA 0.560 5.116 4.556 -0.000 0.000 0.322 241 H C -1.122 174.108 175.328 -0.163 0.000 1.091 241 H CA -0.590 55.395 56.048 -0.105 0.000 1.291 241 H CB 1.398 31.076 29.762 -0.140 0.000 1.436 241 H HN 0.533 nan 8.280 nan 0.000 0.480 242 I N 3.772 123.837 120.570 -0.842 0.000 2.404 242 I HA 0.425 4.595 4.170 -0.000 0.000 0.293 242 I C 0.220 175.754 176.117 -0.971 0.000 0.992 242 I CA -0.543 60.314 61.300 -0.739 0.000 1.149 242 I CB 2.128 39.851 38.000 -0.462 0.000 1.315 242 I HN 0.706 nan 8.210 nan 0.000 0.446 243 G N 4.560 112.858 108.800 -0.837 0.000 2.750 243 G HA2 0.534 4.494 3.960 -0.000 0.000 0.298 243 G HA3 0.534 4.494 3.960 -0.000 0.000 0.298 243 G C -1.061 173.530 174.900 -0.515 0.000 1.412 243 G CA -0.298 44.530 45.100 -0.453 0.000 1.078 243 G HN 0.372 nan 8.290 nan 0.000 0.573 244 F N 2.038 121.994 119.950 0.010 0.000 2.764 244 F HA 0.433 4.960 4.527 -0.000 0.000 0.310 244 F C 1.721 177.073 175.800 -0.746 0.000 1.124 244 F CA -0.185 57.653 58.000 -0.269 0.000 1.252 244 F CB 0.579 39.517 39.000 -0.104 0.000 1.010 244 F HN 0.994 nan 8.300 nan 0.000 0.518 245 G N 0.887 109.558 108.800 -0.214 0.000 2.672 245 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.324 245 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.324 245 G C 1.342 176.313 174.900 0.119 0.000 1.286 245 G CA 0.776 45.862 45.100 -0.023 0.000 1.004 245 G HN 0.253 nan 8.290 nan 0.000 0.548 246 S N 1.219 117.021 115.700 0.170 0.000 2.660 246 S HA 0.340 4.810 4.470 -0.000 0.000 0.223 246 S C 1.267 176.112 174.600 0.409 0.000 0.963 246 S CA 0.803 59.152 58.200 0.248 0.000 0.932 246 S CB -0.099 63.166 63.200 0.109 0.000 0.775 246 S HN 0.709 nan 8.310 nan 0.000 0.531 247 S N 2.240 118.110 115.700 0.283 0.000 2.580 247 S HA 0.417 4.886 4.470 -0.000 0.000 0.266 247 S C 0.629 175.399 174.600 0.283 0.000 1.354 247 S CA -0.434 57.921 58.200 0.257 0.000 1.008 247 S CB 0.783 64.065 63.200 0.136 0.000 0.898 247 S HN 0.621 nan 8.310 nan 0.000 0.555 248 S N -0.572 115.225 115.700 0.161 0.000 2.790 248 S HA 0.917 5.387 4.470 -0.000 0.000 0.292 248 S C -0.102 174.476 174.600 -0.036 0.000 1.197 248 S CA -0.344 57.856 58.200 -0.001 0.000 0.851 248 S CB 0.940 64.205 63.200 0.108 0.000 1.217 248 S HN 1.887 nan 8.310 nan 0.000 0.526 249 G N -0.412 108.332 108.800 -0.092 0.000 2.756 249 G HA2 0.347 4.307 3.960 -0.000 0.000 0.678 249 G HA3 0.347 4.307 3.960 -0.000 0.000 0.678 249 G C 0.426 175.280 174.900 -0.077 0.000 1.349 249 G CA 0.521 45.583 45.100 -0.063 0.000 0.847 249 G HN 1.694 nan 8.290 nan 0.000 0.548 250 R N -0.162 120.303 120.500 -0.059 0.000 2.193 250 R HA 0.357 4.697 4.340 -0.000 0.000 0.213 250 R C 3.147 179.411 176.300 -0.059 0.000 1.055 250 R CA 2.401 58.468 56.100 -0.055 0.000 0.995 250 R CB -1.048 29.227 30.300 -0.041 0.000 0.893 250 R HN 2.310 nan 8.270 nan 0.000 0.459 251 G N 1.998 110.757 108.800 -0.067 0.000 2.446 251 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 251 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 251 G C 1.687 176.504 174.900 -0.139 0.000 1.168 251 G CA 1.347 46.393 45.100 -0.090 0.000 0.771 251 G HN 0.782 nan 8.290 nan 0.000 0.551 252 I N -1.221 119.252 120.570 -0.162 0.000 2.546 252 I HA 0.214 4.384 4.170 -0.000 0.000 0.255 252 I C 2.761 178.853 176.117 -0.042 0.000 1.163 252 I CA 1.150 62.314 61.300 -0.227 0.000 1.457 252 I CB -0.301 37.586 38.000 -0.188 0.000 1.092 252 I HN 0.131 nan 8.210 nan 0.000 0.434 253 A N 1.817 124.617 122.820 -0.032 0.000 1.873 253 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 253 A C 1.962 179.547 177.584 0.002 0.000 1.186 253 A CA 1.936 53.971 52.037 -0.003 0.000 0.616 253 A CB -0.642 18.341 19.000 -0.028 0.000 0.823 253 A HN 0.452 nan 8.150 nan 0.000 0.442 254 D N 0.363 120.750 120.400 -0.023 0.000 2.097 254 D HA -0.083 4.557 4.640 -0.000 0.000 0.195 254 D C 2.283 178.578 176.300 -0.007 0.000 0.989 254 D CA 1.609 55.599 54.000 -0.016 0.000 0.827 254 D CB -0.624 40.159 40.800 -0.029 0.000 0.966 254 D HN 0.400 nan 8.370 nan 0.000 0.456 255 A N 1.412 124.205 122.820 -0.045 0.000 1.892 255 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 255 A C 2.374 180.010 177.584 0.088 0.000 1.188 255 A CA 2.785 54.796 52.037 -0.045 0.000 0.631 255 A CB -0.920 17.947 19.000 -0.222 0.000 0.822 255 A HN 0.258 nan 8.150 nan 0.000 0.447 256 A N -0.662 122.266 122.820 0.179 0.000 1.908 256 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 256 A C 2.248 179.883 177.584 0.084 0.000 1.181 256 A CA 2.562 54.713 52.037 0.190 0.000 0.627 256 A CB -0.682 18.427 19.000 0.181 0.000 0.818 256 A HN 0.491 nan 8.150 nan 0.000 0.445 257 K N -0.639 119.797 120.400 0.060 0.000 2.026 257 K HA -0.086 4.234 4.320 -0.000 0.000 0.208 257 K C 2.013 178.653 176.600 0.067 0.000 1.048 257 K CA 1.687 58.002 56.287 0.046 0.000 0.929 257 K CB -1.093 31.425 32.500 0.031 0.000 0.713 257 K HN 0.349 nan 8.250 nan 0.000 0.439 258 V N 0.918 120.876 119.914 0.072 0.000 2.407 258 V HA -0.140 3.980 4.120 -0.000 0.000 0.248 258 V C 2.744 178.898 176.094 0.100 0.000 1.055 258 V CA 2.006 64.371 62.300 0.107 0.000 1.049 258 V CB -1.094 30.775 31.823 0.078 0.000 0.662 258 V HN 0.647 nan 8.190 nan 0.000 0.455 259 A N -0.119 122.741 122.820 0.066 0.000 1.902 259 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 259 A C 2.392 180.002 177.584 0.043 0.000 1.181 259 A CA 2.094 54.155 52.037 0.041 0.000 0.623 259 A CB -0.649 18.380 19.000 0.049 0.000 0.818 259 A HN 0.348 nan 8.150 nan 0.000 0.443 260 V N -0.037 119.909 119.914 0.054 0.000 2.343 260 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 260 V C 2.510 178.661 176.094 0.095 0.000 1.051 260 V CA 2.283 64.617 62.300 0.055 0.000 1.036 260 V CB -0.742 31.107 31.823 0.044 0.000 0.654 260 V HN 0.770 nan 8.190 nan 0.000 0.451 261 E N 0.322 120.605 120.200 0.137 0.000 2.058 261 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 261 E C 2.250 179.070 176.600 0.366 0.000 0.997 261 E CA 1.575 58.108 56.400 0.222 0.000 0.801 261 E CB -0.240 29.616 29.700 0.260 0.000 0.746 261 E HN 0.553 nan 8.360 nan 0.000 0.450 262 A N 0.993 123.981 122.820 0.280 0.000 1.877 262 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 262 A C 2.185 179.795 177.584 0.042 0.000 1.186 262 A CA 1.377 53.434 52.037 0.033 0.000 0.620 262 A CB -0.652 18.205 19.000 -0.238 0.000 0.822 262 A HN 0.338 nan 8.150 nan 0.000 0.443 263 I N -0.908 119.687 120.570 0.043 0.000 2.163 263 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 263 I C 2.804 178.959 176.117 0.062 0.000 1.085 263 I CA 1.587 62.907 61.300 0.034 0.000 1.347 263 I CB -0.347 37.671 38.000 0.030 0.000 1.044 263 I HN 0.290 nan 8.210 nan 0.000 0.408 264 R N 0.646 121.201 120.500 0.091 0.000 2.096 264 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 264 R C 2.376 178.736 176.300 0.101 0.000 1.127 264 R CA 1.363 57.517 56.100 0.090 0.000 0.968 264 R CB -0.457 29.897 30.300 0.090 0.000 0.861 264 R HN 0.360 nan 8.270 nan 0.000 0.440 265 A N 0.930 123.845 122.820 0.158 0.000 2.186 265 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 265 A C 1.398 179.049 177.584 0.112 0.000 1.159 265 A CA 1.173 53.322 52.037 0.187 0.000 0.680 265 A CB -0.070 19.178 19.000 0.413 0.000 0.787 265 A HN 0.332 nan 8.150 nan 0.000 0.467 266 Q N -1.187 118.656 119.800 0.071 0.000 2.172 266 Q HA 0.286 4.626 4.340 -0.000 0.000 0.217 266 Q C 0.633 176.653 176.000 0.033 0.000 0.832 266 Q CA 0.201 56.027 55.803 0.039 0.000 1.010 266 Q CB 0.317 29.063 28.738 0.014 0.000 1.133 266 Q HN 0.784 nan 8.270 nan 0.000 0.489 267 G N 2.714 111.539 108.800 0.042 0.000 2.350 267 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.298 267 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.298 267 G C -0.284 174.632 174.900 0.028 0.000 1.037 267 G CA 0.216 45.336 45.100 0.033 0.000 1.074 267 G HN 0.090 nan 8.290 nan 0.000 0.511 268 R N -0.638 119.885 120.500 0.037 0.000 2.744 268 R HA 0.488 4.828 4.340 -0.000 0.000 0.279 268 R C 0.612 176.949 176.300 0.062 0.000 0.977 268 R CA -0.982 55.140 56.100 0.037 0.000 0.906 268 R CB 1.408 31.726 30.300 0.029 0.000 1.197 268 R HN 0.367 nan 8.270 nan 0.000 0.463 269 R N 0.385 120.930 120.500 0.075 0.000 2.649 269 R HA 0.476 4.816 4.340 -0.000 0.000 0.270 269 R C -0.159 176.250 176.300 0.183 0.000 1.105 269 R CA -0.491 55.698 56.100 0.150 0.000 1.193 269 R CB 0.670 31.058 30.300 0.147 0.000 1.120 269 R HN 0.206 nan 8.270 nan 0.000 0.561 270 V N 2.245 122.307 119.914 0.247 0.000 2.789 270 V HA 0.464 4.584 4.120 -0.000 0.000 0.311 270 V C -0.317 175.865 176.094 0.147 0.000 1.073 270 V CA -0.704 61.691 62.300 0.158 0.000 0.921 270 V CB 2.114 33.985 31.823 0.079 0.000 1.009 270 V HN 0.556 nan 8.190 nan 0.000 0.426 271 I N 4.688 125.317 120.570 0.098 0.000 2.447 271 I HA 0.475 4.645 4.170 -0.000 0.000 0.287 271 I C -1.265 174.826 176.117 -0.044 0.000 1.023 271 I CA -0.639 60.714 61.300 0.090 0.000 1.083 271 I CB 1.951 40.109 38.000 0.263 0.000 1.245 271 I HN 0.407 nan 8.210 nan 0.000 0.434 272 L N 5.973 127.153 121.223 -0.071 0.000 2.325 272 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 272 L C -0.356 176.469 176.870 -0.076 0.000 1.004 272 L CA 0.149 54.899 54.840 -0.150 0.000 0.823 272 L CB 1.849 43.837 42.059 -0.119 0.000 1.236 272 L HN 0.438 nan 8.230 nan 0.000 0.415 273 S N 4.672 120.331 115.700 -0.070 0.000 2.474 273 S HA 0.333 4.803 4.470 -0.000 0.000 0.276 273 S C 1.215 175.830 174.600 0.025 0.000 1.227 273 S CA -0.494 57.767 58.200 0.102 0.000 1.050 273 S CB 0.853 64.240 63.200 0.312 0.000 0.939 273 S HN 0.676 nan 8.310 nan 0.000 0.490 274 R N 2.590 123.103 120.500 0.022 0.000 2.115 274 R HA 0.060 4.400 4.340 -0.000 0.000 0.230 274 R C 1.413 177.731 176.300 0.029 0.000 1.111 274 R CA 0.596 56.697 56.100 0.002 0.000 0.976 274 R CB -0.482 29.808 30.300 -0.016 0.000 0.870 274 R HN 0.897 nan 8.270 nan 0.000 0.445 275 G N 0.588 109.437 108.800 0.081 0.000 2.855 275 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.352 275 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.352 275 G C 0.221 175.215 174.900 0.157 0.000 1.415 275 G CA -0.048 45.136 45.100 0.140 0.000 0.871 275 G HN 0.516 nan 8.290 nan 0.000 0.543 276 W N -0.774 120.542 121.300 0.026 0.000 2.800 276 W HA 0.112 4.772 4.660 -0.000 0.000 0.249 276 W C 1.475 178.011 176.519 0.029 0.000 1.294 276 W CA 1.812 59.172 57.345 0.025 0.000 1.402 276 W CB -1.305 28.172 29.460 0.029 0.000 1.126 276 W HN 1.134 nan 8.180 nan 0.000 0.652 277 T N -1.553 112.660 114.554 -0.569 0.000 3.145 277 T HA 0.180 4.529 4.350 -0.000 0.000 0.255 277 T C 0.231 174.780 174.700 -0.250 0.000 1.039 277 T CA -0.088 61.661 62.100 -0.585 0.000 0.928 277 T CB -0.578 67.854 68.868 -0.727 0.000 1.029 277 T HN 0.221 nan 8.240 nan 0.000 0.554 278 E N 1.360 121.479 120.200 -0.135 0.000 2.369 278 E HA -0.137 4.213 4.350 -0.000 0.000 0.165 278 E C -0.527 176.031 176.600 -0.070 0.000 1.622 278 E CA -0.130 56.226 56.400 -0.073 0.000 0.660 278 E CB -1.588 28.077 29.700 -0.059 0.000 1.085 278 E HN 0.647 nan 8.360 nan 0.000 0.346 279 L N 1.025 122.216 121.223 -0.053 0.000 2.461 279 L HA 0.292 4.632 4.340 -0.000 0.000 0.272 279 L C 0.858 177.704 176.870 -0.040 0.000 1.197 279 L CA -0.309 54.510 54.840 -0.035 0.000 0.836 279 L CB 0.432 42.492 42.059 0.002 0.000 1.105 279 L HN 0.195 nan 8.230 nan 0.000 0.477 280 V N 1.140 121.033 119.914 -0.036 0.000 2.769 280 V HA 0.519 4.639 4.120 -0.000 0.000 0.312 280 V C -0.127 175.947 176.094 -0.034 0.000 1.061 280 V CA -1.057 61.218 62.300 -0.042 0.000 0.931 280 V CB 1.807 33.606 31.823 -0.040 0.000 1.010 280 V HN 0.569 nan 8.190 nan 0.000 0.433 281 L N 3.428 124.624 121.223 -0.044 0.000 2.472 281 L HA 0.334 4.674 4.340 -0.000 0.000 0.260 281 L C -1.155 175.706 176.870 -0.016 0.000 1.209 281 L CA -1.128 53.694 54.840 -0.031 0.000 0.817 281 L CB 0.613 42.648 42.059 -0.041 0.000 1.106 281 L HN 0.530 nan 8.230 nan 0.000 0.479 282 P HA -0.067 nan 4.420 nan 0.000 0.219 282 P C -0.984 176.316 177.300 -0.001 0.000 1.150 282 P CA 0.900 64.001 63.100 0.001 0.000 0.814 282 P CB 0.166 31.873 31.700 0.011 0.000 0.787 283 D N -4.047 116.354 120.400 0.001 0.000 3.103 283 D HA 0.347 4.987 4.640 -0.000 0.000 0.337 283 D C -0.233 176.069 176.300 0.004 0.000 1.356 283 D CA -0.058 53.944 54.000 0.003 0.000 0.951 283 D CB -0.550 40.257 40.800 0.011 0.000 1.438 283 D HN -0.152 nan 8.370 nan 0.000 0.562 284 D N -1.433 118.975 120.400 0.013 0.000 2.440 284 D HA 0.200 4.840 4.640 -0.000 0.000 0.216 284 D C 0.377 176.703 176.300 0.044 0.000 1.150 284 D CA -0.474 53.538 54.000 0.019 0.000 0.832 284 D CB -0.192 40.617 40.800 0.014 0.000 0.992 284 D HN 0.318 nan 8.370 nan 0.000 0.502 285 R N 0.850 121.380 120.500 0.050 0.000 2.697 285 R HA 0.228 4.568 4.340 -0.000 0.000 0.265 285 R C 0.581 176.946 176.300 0.109 0.000 1.009 285 R CA 0.604 56.745 56.100 0.069 0.000 1.099 285 R CB 0.560 30.897 30.300 0.063 0.000 0.965 285 R HN 0.420 nan 8.270 nan 0.000 0.428 286 D N 0.493 120.969 120.400 0.127 0.000 2.358 286 D HA -0.121 4.519 4.640 -0.000 0.000 0.241 286 D C 0.505 176.970 176.300 0.276 0.000 1.094 286 D CA 0.384 54.503 54.000 0.199 0.000 0.907 286 D CB 0.031 40.924 40.800 0.154 0.000 0.893 286 D HN 0.542 nan 8.370 nan 0.000 0.528 287 D N -0.655 119.877 120.400 0.219 0.000 2.339 287 D HA -0.009 4.631 4.640 -0.000 0.000 0.217 287 D C -0.054 176.453 176.300 0.346 0.000 1.050 287 D CA -0.341 53.801 54.000 0.236 0.000 0.856 287 D CB -0.475 40.405 40.800 0.134 0.000 0.922 287 D HN 0.197 nan 8.370 nan 0.000 0.518 288 C N -0.332 119.147 119.300 0.299 0.000 2.848 288 C HA 0.775 5.235 4.460 -0.000 0.000 0.317 288 C C -1.049 173.932 174.990 -0.015 0.000 1.260 288 C CA -0.923 58.195 59.018 0.166 0.000 1.656 288 C CB 1.408 29.192 27.740 0.073 0.000 2.174 288 C HN 0.258 nan 8.230 nan 0.000 0.479 289 F N 0.901 120.585 119.950 -0.443 0.000 2.604 289 F HA 0.622 5.149 4.527 -0.000 0.000 0.316 289 F C -0.369 175.244 175.800 -0.313 0.000 1.136 289 F CA -0.303 57.336 58.000 -0.601 0.000 0.989 289 F CB 0.941 39.074 39.000 -1.445 0.000 1.258 289 F HN 0.815 nan 8.300 nan 0.000 0.451 290 A N 6.679 129.093 122.820 -0.677 0.000 2.312 290 A HA 0.889 5.209 4.320 -0.000 0.000 0.326 290 A C -0.898 176.389 177.584 -0.494 0.000 1.172 290 A CA -0.526 51.260 52.037 -0.419 0.000 0.821 290 A CB 0.732 19.552 19.000 -0.300 0.000 1.166 290 A HN 0.908 nan 8.150 nan 0.000 0.493 291 I N -1.388 119.080 120.570 -0.171 0.000 3.074 291 I HA 0.646 4.816 4.170 -0.000 0.000 0.310 291 I C -1.114 175.010 176.117 0.011 0.000 1.153 291 I CA -0.966 60.302 61.300 -0.053 0.000 0.993 291 I CB 2.140 40.226 38.000 0.144 0.000 1.237 291 I HN 0.457 nan 8.210 nan 0.000 0.443 292 D N 1.214 121.625 120.400 0.019 0.000 2.538 292 D HA 0.169 4.809 4.640 -0.000 0.000 0.262 292 D C -0.558 175.753 176.300 0.019 0.000 1.186 292 D CA -0.232 53.781 54.000 0.021 0.000 1.090 292 D CB 0.430 41.232 40.800 0.003 0.000 1.187 292 D HN 0.675 nan 8.370 nan 0.000 0.614 293 E N 0.478 120.663 120.200 -0.024 0.000 2.558 293 E HA 0.187 4.537 4.350 -0.000 0.000 0.255 293 E C -1.228 175.313 176.600 -0.099 0.000 0.968 293 E CA 0.401 56.740 56.400 -0.102 0.000 0.939 293 E CB 0.212 29.854 29.700 -0.097 0.000 0.921 293 E HN 0.061 nan 8.360 nan 0.000 0.477 294 V N 4.384 124.181 119.914 -0.196 0.000 3.147 294 V HA 0.215 4.335 4.120 -0.000 0.000 0.306 294 V C -0.488 175.475 176.094 -0.218 0.000 1.209 294 V CA -1.197 61.039 62.300 -0.106 0.000 1.023 294 V CB 2.168 34.033 31.823 0.072 0.000 1.059 294 V HN 0.792 nan 8.190 nan 0.000 0.435 295 N N 1.992 120.635 118.700 -0.095 0.000 2.406 295 N HA 0.095 4.835 4.740 -0.000 0.000 0.265 295 N C 0.428 175.923 175.510 -0.026 0.000 1.203 295 N CA 0.178 53.167 53.050 -0.101 0.000 0.945 295 N CB 0.343 38.801 38.487 -0.047 0.000 1.165 295 N HN 0.526 nan 8.380 nan 0.000 0.485 296 F N 2.146 121.884 119.950 -0.353 0.000 2.259 296 F HA -0.011 4.516 4.527 -0.000 0.000 0.298 296 F C 2.134 177.566 175.800 -0.613 0.000 1.088 296 F CA 0.679 58.233 58.000 -0.744 0.000 1.358 296 F CB -0.480 37.831 39.000 -1.148 0.000 1.040 296 F HN 0.578 nan 8.300 nan 0.000 0.505 297 Q N -0.428 119.286 119.800 -0.144 0.000 2.181 297 Q HA -0.161 4.179 4.340 -0.000 0.000 0.205 297 Q C 2.374 178.371 176.000 -0.005 0.000 0.980 297 Q CA 1.625 57.389 55.803 -0.065 0.000 0.862 297 Q CB -0.241 28.473 28.738 -0.039 0.000 0.905 297 Q HN 0.372 nan 8.270 nan 0.000 0.429 298 A N 0.345 123.164 122.820 -0.003 0.000 1.861 298 A HA -0.084 4.236 4.320 -0.000 0.000 0.212 298 A C 1.943 179.567 177.584 0.066 0.000 1.199 298 A CA 0.623 52.677 52.037 0.029 0.000 0.613 298 A CB -0.555 18.457 19.000 0.021 0.000 0.846 298 A HN 0.333 nan 8.150 nan 0.000 0.446 299 L N -1.100 120.172 121.223 0.081 0.000 2.042 299 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 299 L C 1.948 178.955 176.870 0.228 0.000 1.076 299 L CA 1.977 56.901 54.840 0.140 0.000 0.749 299 L CB -0.886 41.271 42.059 0.164 0.000 0.893 299 L HN 0.307 nan 8.230 nan 0.000 0.432 300 F N 0.347 120.248 119.950 -0.082 0.000 2.408 300 F HA -0.080 4.447 4.527 -0.000 0.000 0.300 300 F C 2.411 178.184 175.800 -0.045 0.000 1.090 300 F CA 0.879 58.814 58.000 -0.109 0.000 1.427 300 F CB -0.816 38.111 39.000 -0.121 0.000 1.070 300 F HN 0.188 nan 8.300 nan 0.000 0.549 301 R N -0.277 120.322 120.500 0.164 0.000 2.310 301 R HA 0.116 4.456 4.340 -0.000 0.000 0.202 301 R C 0.952 177.289 176.300 0.060 0.000 0.933 301 R CA 0.145 56.298 56.100 0.090 0.000 1.054 301 R CB 0.188 30.530 30.300 0.071 0.000 0.985 301 R HN 0.120 nan 8.270 nan 0.000 0.489 302 R N 0.515 121.057 120.500 0.070 0.000 2.629 302 R HA 0.160 4.500 4.340 -0.000 0.000 0.386 302 R C -0.186 176.141 176.300 0.045 0.000 1.071 302 R CA 0.053 56.182 56.100 0.049 0.000 1.104 302 R CB 1.165 31.497 30.300 0.054 0.000 1.370 302 R HN -0.031 nan 8.270 nan 0.000 0.574 303 V N -4.026 115.906 119.914 0.031 0.000 2.914 303 V HA 0.713 4.833 4.120 -0.000 0.000 0.314 303 V C 0.950 177.034 176.094 -0.017 0.000 1.084 303 V CA -0.749 61.559 62.300 0.014 0.000 0.963 303 V CB 1.958 33.782 31.823 0.001 0.000 1.025 303 V HN -0.009 nan 8.190 nan 0.000 0.432 304 A N 2.062 124.874 122.820 -0.014 0.000 2.014 304 A HA 0.765 5.085 4.320 -0.000 0.000 0.218 304 A C 1.187 178.743 177.584 -0.047 0.000 1.163 304 A CA 1.315 53.338 52.037 -0.024 0.000 0.652 304 A CB -0.376 18.617 19.000 -0.013 0.000 0.808 304 A HN 2.385 nan 8.150 nan 0.000 0.449 305 A N -1.993 120.785 122.820 -0.070 0.000 2.544 305 A HA 0.541 4.861 4.320 -0.000 0.000 0.291 305 A C -1.018 176.471 177.584 -0.159 0.000 1.055 305 A CA 0.098 52.071 52.037 -0.106 0.000 0.651 305 A CB 0.332 19.287 19.000 -0.075 0.000 1.296 305 A HN 1.403 nan 8.150 nan 0.000 0.431 306 V N -1.215 118.577 119.914 -0.204 0.000 2.709 306 V HA 0.849 4.969 4.120 -0.000 0.000 0.308 306 V C -0.777 175.229 176.094 -0.147 0.000 1.062 306 V CA -0.626 61.532 62.300 -0.237 0.000 0.901 306 V CB 1.438 32.926 31.823 -0.558 0.000 1.003 306 V HN 0.773 nan 8.190 nan 0.000 0.425 307 I N 5.662 126.153 120.570 -0.132 0.000 2.362 307 I HA 0.743 4.913 4.170 -0.000 0.000 0.289 307 I C -0.154 175.919 176.117 -0.075 0.000 0.994 307 I CA -0.204 61.020 61.300 -0.127 0.000 1.158 307 I CB 1.384 39.320 38.000 -0.107 0.000 1.315 307 I HN 1.118 nan 8.210 nan 0.000 0.451 308 H N 2.785 121.923 119.070 0.113 0.000 2.947 308 H HA 0.410 4.966 4.556 -0.000 0.000 0.290 308 H C 0.192 175.876 175.328 0.594 0.000 1.430 308 H CA -0.839 55.386 56.048 0.294 0.000 1.189 308 H CB 0.512 30.445 29.762 0.285 0.000 1.875 308 H HN 0.483 nan 8.280 nan 0.000 0.568 309 H N -1.146 118.348 119.070 0.708 0.000 2.548 309 H HA 0.237 4.793 4.556 -0.000 0.000 0.268 309 H C 1.192 176.778 175.328 0.429 0.000 0.975 309 H CA 0.359 56.708 56.048 0.502 0.000 1.195 309 H CB -0.435 29.590 29.762 0.438 0.000 1.397 309 H HN 1.163 nan 8.280 nan 0.000 0.572 310 G N 0.505 109.537 108.800 0.387 0.000 2.141 310 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.242 310 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.242 310 G C 0.083 174.982 174.900 -0.002 0.000 0.982 310 G CA 0.353 45.605 45.100 0.253 0.000 0.662 310 G HN 0.579 nan 8.290 nan 0.000 0.527 311 S N -0.203 115.256 115.700 -0.402 0.000 2.585 311 S HA 0.573 5.043 4.470 -0.000 0.000 0.273 311 S C 1.943 176.319 174.600 -0.375 0.000 1.339 311 S CA 0.527 58.582 58.200 -0.242 0.000 1.028 311 S CB 1.177 64.233 63.200 -0.240 0.000 0.906 311 S HN 1.410 nan 8.310 nan 0.000 0.528 312 A N 3.290 125.895 122.820 -0.359 0.000 1.884 312 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 312 A C 2.211 179.640 177.584 -0.257 0.000 1.197 312 A CA 2.272 53.937 52.037 -0.620 0.000 0.637 312 A CB -1.583 17.345 19.000 -0.121 0.000 0.827 312 A HN 0.924 nan 8.150 nan 0.000 0.450 313 G N -1.475 107.234 108.800 -0.152 0.000 2.433 313 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 313 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 313 G C 1.593 176.469 174.900 -0.040 0.000 1.186 313 G CA 1.693 46.745 45.100 -0.080 0.000 0.779 313 G HN 0.446 nan 8.290 nan 0.000 0.543 314 T N 0.301 114.814 114.554 -0.067 0.000 2.759 314 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 314 T C 2.125 176.709 174.700 -0.194 0.000 1.042 314 T CA 1.627 63.700 62.100 -0.047 0.000 1.140 314 T CB -0.119 68.733 68.868 -0.028 0.000 0.864 314 T HN 0.547 nan 8.240 nan 0.000 0.455 315 E N -0.161 119.840 120.200 -0.331 0.000 2.107 315 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 315 E C 2.003 178.536 176.600 -0.111 0.000 0.982 315 E CA 0.893 57.144 56.400 -0.248 0.000 0.809 315 E CB -0.025 29.514 29.700 -0.268 0.000 0.756 315 E HN 0.615 nan 8.360 nan 0.000 0.459 316 H N -0.682 118.300 119.070 -0.147 0.000 2.321 316 H HA -0.096 4.460 4.556 -0.000 0.000 0.300 316 H C 2.055 177.390 175.328 0.011 0.000 1.087 316 H CA 1.708 57.729 56.048 -0.045 0.000 1.319 316 H CB -0.044 29.688 29.762 -0.050 0.000 1.379 316 H HN 0.023 nan 8.280 nan 0.000 0.501 317 V N 0.473 120.470 119.914 0.138 0.000 2.332 317 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 317 V C 2.519 178.739 176.094 0.211 0.000 1.055 317 V CA 1.763 64.135 62.300 0.121 0.000 1.038 317 V CB -0.972 30.875 31.823 0.040 0.000 0.651 317 V HN 0.596 nan 8.190 nan 0.000 0.450 318 A N -0.496 122.485 122.820 0.269 0.000 1.930 318 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 318 A C 2.393 180.051 177.584 0.123 0.000 1.175 318 A CA 2.268 54.464 52.037 0.265 0.000 0.627 318 A CB -0.869 18.212 19.000 0.135 0.000 0.815 318 A HN 0.498 nan 8.150 nan 0.000 0.443 319 T N 0.567 115.169 114.554 0.079 0.000 2.746 319 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 319 T C 1.908 176.640 174.700 0.053 0.000 1.039 319 T CA 1.706 63.831 62.100 0.041 0.000 1.142 319 T CB -0.300 68.560 68.868 -0.014 0.000 0.866 319 T HN 0.796 nan 8.240 nan 0.000 0.444 320 R N 1.327 121.872 120.500 0.074 0.000 2.276 320 R HA 0.395 4.735 4.340 -0.000 0.000 0.203 320 R C 2.194 178.536 176.300 0.071 0.000 1.017 320 R CA 0.778 56.920 56.100 0.071 0.000 1.010 320 R CB -0.204 30.144 30.300 0.080 0.000 0.900 320 R HN 0.294 nan 8.270 nan 0.000 0.469 321 A N 1.280 124.156 122.820 0.093 0.000 2.178 321 A HA 0.288 4.608 4.320 -0.000 0.000 0.211 321 A C 1.718 179.341 177.584 0.065 0.000 1.157 321 A CA 0.460 52.556 52.037 0.098 0.000 0.780 321 A CB -0.280 18.824 19.000 0.174 0.000 0.828 321 A HN 0.527 nan 8.150 nan 0.000 0.476 322 G N -1.119 107.711 108.800 0.050 0.000 2.153 322 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.252 322 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.252 322 G C 0.304 175.211 174.900 0.011 0.000 0.994 322 G CA 0.422 45.539 45.100 0.027 0.000 0.698 322 G HN 1.320 nan 8.290 nan 0.000 0.521 323 V N 0.851 120.767 119.914 0.003 0.000 2.509 323 V HA 0.661 4.781 4.120 -0.000 0.000 0.284 323 V C -1.762 174.302 176.094 -0.050 0.000 1.047 323 V CA -2.158 60.118 62.300 -0.039 0.000 0.952 323 V CB 1.452 33.216 31.823 -0.098 0.000 0.988 323 V HN 0.074 nan 8.190 nan 0.000 0.469 324 P HA 0.173 nan 4.420 nan 0.000 0.266 324 P C -1.313 175.946 177.300 -0.069 0.000 1.195 324 P CA 0.308 63.380 63.100 -0.048 0.000 0.768 324 P CB 0.237 31.910 31.700 -0.044 0.000 0.838 325 Q N 1.649 121.416 119.800 -0.055 0.000 2.353 325 Q HA 0.578 4.918 4.340 -0.000 0.000 0.268 325 Q C -0.996 174.936 176.000 -0.113 0.000 1.045 325 Q CA -0.824 54.930 55.803 -0.082 0.000 0.811 325 Q CB 2.325 31.058 28.738 -0.009 0.000 1.305 325 Q HN 0.367 nan 8.270 nan 0.000 0.447 326 L N 2.961 124.084 121.223 -0.167 0.000 2.318 326 L HA 0.460 4.800 4.340 -0.000 0.000 0.277 326 L C -1.317 175.432 176.870 -0.202 0.000 1.008 326 L CA -0.875 53.892 54.840 -0.123 0.000 0.846 326 L CB 1.099 43.113 42.059 -0.074 0.000 1.220 326 L HN 0.426 nan 8.230 nan 0.000 0.423 327 V N 6.319 126.140 119.914 -0.155 0.000 2.407 327 V HA 0.333 4.453 4.120 -0.000 0.000 0.278 327 V C 0.340 176.456 176.094 0.037 0.000 1.037 327 V CA -0.237 61.975 62.300 -0.145 0.000 0.900 327 V CB 1.452 33.234 31.823 -0.068 0.000 0.983 327 V HN 0.558 nan 8.190 nan 0.000 0.459 328 I N 7.561 128.182 120.570 0.086 0.000 2.442 328 I HA 0.293 4.463 4.170 -0.000 0.000 0.279 328 I C -2.192 173.986 176.117 0.101 0.000 1.081 328 I CA -1.768 59.574 61.300 0.070 0.000 1.197 328 I CB 1.429 39.404 38.000 -0.041 0.000 1.394 328 I HN 0.432 nan 8.210 nan 0.000 0.488 329 P HA 0.156 nan 4.420 nan 0.000 0.271 329 P C -0.253 177.106 177.300 0.098 0.000 1.216 329 P CA -0.015 63.172 63.100 0.144 0.000 0.776 329 P CB 1.417 33.202 31.700 0.142 0.000 0.881 330 R N 2.107 122.682 120.500 0.124 0.000 2.383 330 R HA 0.206 4.546 4.340 -0.000 0.000 0.205 330 R C 0.953 177.316 176.300 0.104 0.000 0.875 330 R CA 0.144 56.294 56.100 0.083 0.000 1.039 330 R CB 0.245 30.590 30.300 0.076 0.000 1.267 330 R HN 0.659 nan 8.270 nan 0.000 0.635 331 N N -0.356 118.446 118.700 0.169 0.000 3.387 331 N HA 0.018 4.758 4.740 -0.000 0.000 0.294 331 N C -0.233 175.436 175.510 0.266 0.000 1.519 331 N CA 0.083 53.253 53.050 0.200 0.000 0.875 331 N CB 0.940 39.537 38.487 0.183 0.000 1.657 331 N HN -0.019 nan 8.380 nan 0.000 0.527 332 T N -0.502 114.209 114.554 0.263 0.000 13.588 332 T HA -0.400 3.950 4.350 -0.000 0.000 0.411 332 T C 0.591 175.392 174.700 0.168 0.000 1.448 332 T CA 2.282 64.504 62.100 0.204 0.000 2.302 332 T CB -2.317 66.720 68.868 0.283 0.000 2.729 332 T HN 0.916 nan 8.240 nan 0.000 0.423 333 D N 1.471 122.006 120.400 0.225 0.000 2.340 333 D HA 0.176 4.816 4.640 -0.000 0.000 0.217 333 D C 1.928 178.476 176.300 0.412 0.000 1.081 333 D CA 0.451 54.593 54.000 0.236 0.000 0.842 333 D CB -0.370 40.599 40.800 0.281 0.000 0.934 333 D HN 0.833 nan 8.370 nan 0.000 0.511 334 Q N 0.196 120.226 119.800 0.382 0.000 2.119 334 Q HA -0.026 4.314 4.340 -0.000 0.000 0.201 334 Q C -0.573 175.612 176.000 0.308 0.000 0.972 334 Q CA 1.272 57.297 55.803 0.370 0.000 0.847 334 Q CB -0.841 28.068 28.738 0.286 0.000 0.903 334 Q HN 0.358 nan 8.270 nan 0.000 0.433 335 P HA -0.185 nan 4.420 nan 0.000 0.218 335 P C 0.721 178.132 177.300 0.184 0.000 1.149 335 P CA 0.960 64.183 63.100 0.205 0.000 0.817 335 P CB -0.079 31.748 31.700 0.213 0.000 0.785 336 Y N -0.600 119.758 120.300 0.097 0.000 2.114 336 Y HA -0.191 4.359 4.550 -0.000 0.000 0.284 336 Y C 2.004 177.864 175.900 -0.067 0.000 1.143 336 Y CA 1.596 59.671 58.100 -0.040 0.000 1.135 336 Y CB -1.147 37.203 38.460 -0.185 0.000 0.980 336 Y HN -0.177 nan 8.280 nan 0.000 0.499 337 F N 0.081 120.082 119.950 0.085 0.000 2.216 337 F HA -0.184 4.342 4.527 -0.000 0.000 0.300 337 F C 2.556 178.325 175.800 -0.051 0.000 1.085 337 F CA 0.936 58.928 58.000 -0.014 0.000 1.326 337 F CB -0.559 38.537 39.000 0.160 0.000 1.027 337 F HN 0.227 nan 8.300 nan 0.000 0.497 338 A N 0.150 123.071 122.820 0.168 0.000 1.898 338 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 338 A C 2.502 180.087 177.584 0.002 0.000 1.181 338 A CA 1.664 53.756 52.037 0.093 0.000 0.620 338 A CB -1.541 17.516 19.000 0.095 0.000 0.819 338 A HN 0.387 nan 8.150 nan 0.000 0.442 339 G N -0.850 107.911 108.800 -0.065 0.000 2.448 339 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.219 339 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.219 339 G C 1.650 176.457 174.900 -0.155 0.000 1.127 339 G CA 0.643 45.678 45.100 -0.109 0.000 0.766 339 G HN 0.365 nan 8.290 nan 0.000 0.552 340 R N 0.147 120.509 120.500 -0.231 0.000 2.073 340 R HA 0.052 4.392 4.340 -0.000 0.000 0.229 340 R C 2.659 178.923 176.300 -0.059 0.000 1.120 340 R CA 0.551 56.539 56.100 -0.188 0.000 0.967 340 R CB -1.233 28.932 30.300 -0.224 0.000 0.862 340 R HN 0.334 nan 8.270 nan 0.000 0.436 341 V N 1.409 121.317 119.914 -0.010 0.000 2.407 341 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 341 V C 2.468 178.553 176.094 -0.014 0.000 1.055 341 V CA 1.837 64.141 62.300 0.007 0.000 1.049 341 V CB -0.726 31.114 31.823 0.028 0.000 0.662 341 V HN 0.314 nan 8.190 nan 0.000 0.455 342 A N -0.129 122.675 122.820 -0.026 0.000 1.873 342 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 342 A C 2.418 179.984 177.584 -0.030 0.000 1.186 342 A CA 1.946 53.966 52.037 -0.028 0.000 0.616 342 A CB -0.812 18.169 19.000 -0.032 0.000 0.823 342 A HN 0.568 nan 8.150 nan 0.000 0.442 343 A N -0.403 122.393 122.820 -0.041 0.000 1.972 343 A HA 0.011 4.331 4.320 -0.000 0.000 0.219 343 A C 1.974 179.543 177.584 -0.024 0.000 1.169 343 A CA 1.434 53.450 52.037 -0.036 0.000 0.635 343 A CB -0.516 18.454 19.000 -0.050 0.000 0.810 343 A HN 0.478 nan 8.150 nan 0.000 0.446 344 L N -1.352 119.858 121.223 -0.022 0.000 2.558 344 L HA 0.191 4.531 4.340 -0.000 0.000 0.225 344 L C 1.636 178.500 176.870 -0.009 0.000 1.128 344 L CA 0.450 55.283 54.840 -0.012 0.000 0.868 344 L CB -0.384 41.671 42.059 -0.007 0.000 1.006 344 L HN 0.555 nan 8.230 nan 0.000 0.454 345 G N 1.745 110.538 108.800 -0.013 0.000 2.160 345 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.251 345 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.251 345 G C 0.733 175.627 174.900 -0.011 0.000 1.008 345 G CA 0.603 45.695 45.100 -0.012 0.000 0.724 345 G HN 0.613 nan 8.290 nan 0.000 0.514 346 I N -2.725 117.839 120.570 -0.009 0.000 3.904 346 I HA 0.602 4.772 4.170 -0.000 0.000 0.333 346 I C 0.883 176.992 176.117 -0.013 0.000 1.361 346 I CA 0.222 61.518 61.300 -0.007 0.000 1.116 346 I CB 0.079 38.080 38.000 0.000 0.000 1.028 346 I HN 0.670 nan 8.210 nan 0.000 0.398 347 G N 0.513 109.302 108.800 -0.018 0.000 2.344 347 G HA2 0.371 4.331 3.960 -0.000 0.000 0.282 347 G HA3 0.371 4.331 3.960 -0.000 0.000 0.282 347 G C -1.678 173.207 174.900 -0.026 0.000 1.281 347 G CA -0.398 44.685 45.100 -0.027 0.000 0.877 347 G HN -0.077 nan 8.290 nan 0.000 0.494 348 V N 0.360 120.256 119.914 -0.030 0.000 2.680 348 V HA 0.747 4.867 4.120 -0.000 0.000 0.309 348 V C 0.418 176.505 176.094 -0.011 0.000 1.052 348 V CA -0.159 62.128 62.300 -0.022 0.000 0.908 348 V CB 1.639 33.452 31.823 -0.018 0.000 1.001 348 V HN 1.699 nan 8.190 nan 0.000 0.431 349 A N 3.033 125.849 122.820 -0.008 0.000 2.478 349 A HA 0.389 4.709 4.320 -0.000 0.000 0.327 349 A C 0.112 177.706 177.584 0.017 0.000 1.431 349 A CA -0.304 51.740 52.037 0.011 0.000 1.014 349 A CB -0.378 18.621 19.000 -0.002 0.000 1.143 349 A HN 0.939 nan 8.150 nan 0.000 0.532 350 H N 2.098 121.153 119.070 -0.025 0.000 2.972 350 H HA -0.025 4.531 4.556 -0.000 0.000 0.343 350 H C -0.677 174.639 175.328 -0.019 0.000 1.054 350 H CA 0.811 56.844 56.048 -0.024 0.000 1.412 350 H CB 0.757 30.506 29.762 -0.021 0.000 1.385 350 H HN 0.631 nan 8.280 nan 0.000 0.600 351 D N 3.181 123.267 120.400 -0.524 0.000 2.508 351 D HA 0.288 4.928 4.640 -0.000 0.000 0.224 351 D C 0.197 176.444 176.300 -0.088 0.000 1.171 351 D CA 1.047 54.895 54.000 -0.254 0.000 1.006 351 D CB -0.883 39.761 40.800 -0.261 0.000 1.073 351 D HN 0.917 nan 8.370 nan 0.000 0.513 352 G N 3.758 112.612 108.800 0.090 0.000 2.570 352 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.686 352 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.686 352 G C -2.215 172.793 174.900 0.181 0.000 1.257 352 G CA -0.399 44.769 45.100 0.114 0.000 0.846 352 G HN 0.204 nan 8.290 nan 0.000 0.627 353 P HA 0.133 nan 4.420 nan 0.000 0.245 353 P C 0.453 177.700 177.300 -0.088 0.000 1.206 353 P CA 0.890 63.971 63.100 -0.031 0.000 0.781 353 P CB 0.313 31.991 31.700 -0.036 0.000 0.994 354 T N 3.298 117.838 114.554 -0.022 0.000 3.154 354 T HA 0.323 4.673 4.350 -0.000 0.000 0.381 354 T C -2.398 172.299 174.700 -0.005 0.000 1.368 354 T CA -1.381 60.695 62.100 -0.041 0.000 1.155 354 T CB 1.035 69.897 68.868 -0.010 0.000 1.120 354 T HN 0.130 nan 8.240 nan 0.000 0.570 355 P HA 0.367 nan 4.420 nan 0.000 0.277 355 P C -0.162 177.143 177.300 0.008 0.000 1.240 355 P CA -0.308 62.715 63.100 -0.129 0.000 0.798 355 P CB 1.020 32.439 31.700 -0.469 0.000 0.979 356 T N -2.101 112.503 114.554 0.082 0.000 2.940 356 T HA 0.298 4.648 4.350 -0.000 0.000 0.288 356 T C 0.803 175.566 174.700 0.105 0.000 1.045 356 T CA -0.621 61.536 62.100 0.095 0.000 1.018 356 T CB 0.686 69.614 68.868 0.100 0.000 1.151 356 T HN 0.238 nan 8.240 nan 0.000 0.529 357 F N 1.035 120.999 119.950 0.023 0.000 2.161 357 F HA -0.059 4.468 4.527 -0.000 0.000 0.300 357 F C 2.444 178.262 175.800 0.030 0.000 1.089 357 F CA 1.958 59.971 58.000 0.022 0.000 1.282 357 F CB -0.434 38.574 39.000 0.014 0.000 1.010 357 F HN 0.641 nan 8.300 nan 0.000 0.485 358 E N -0.341 119.904 120.200 0.075 0.000 2.028 358 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 358 E C 2.593 179.159 176.600 -0.058 0.000 0.988 358 E CA 1.290 57.692 56.400 0.004 0.000 0.799 358 E CB -1.108 28.639 29.700 0.079 0.000 0.755 358 E HN 0.701 nan 8.360 nan 0.000 0.447 359 S N 0.693 116.399 115.700 0.011 0.000 2.383 359 S HA -0.109 4.361 4.470 -0.000 0.000 0.227 359 S C 2.054 176.690 174.600 0.060 0.000 1.026 359 S CA 1.276 59.500 58.200 0.040 0.000 0.981 359 S CB -0.408 62.871 63.200 0.133 0.000 0.818 359 S HN 0.225 nan 8.310 nan 0.000 0.472 360 L N 1.900 123.133 121.223 0.016 0.000 2.056 360 L HA 0.092 4.432 4.340 -0.000 0.000 0.207 360 L C 2.606 179.390 176.870 -0.145 0.000 1.078 360 L CA 1.615 56.431 54.840 -0.039 0.000 0.749 360 L CB -1.038 40.959 42.059 -0.104 0.000 0.901 360 L HN 0.302 nan 8.230 nan 0.000 0.433 361 S N -0.538 114.978 115.700 -0.306 0.000 2.368 361 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 361 S C 2.092 176.593 174.600 -0.166 0.000 1.030 361 S CA 1.107 59.103 58.200 -0.340 0.000 0.999 361 S CB -0.490 62.372 63.200 -0.563 0.000 0.844 361 S HN 0.625 nan 8.310 nan 0.000 0.459 362 A N 1.514 124.263 122.820 -0.119 0.000 1.902 362 A HA 0.070 4.390 4.320 -0.000 0.000 0.217 362 A C 2.345 179.897 177.584 -0.053 0.000 1.181 362 A CA 1.799 53.795 52.037 -0.069 0.000 0.623 362 A CB -1.101 17.867 19.000 -0.053 0.000 0.818 362 A HN 0.519 nan 8.150 nan 0.000 0.443 363 A N -0.665 122.132 122.820 -0.039 0.000 1.873 363 A HA -0.017 4.303 4.320 -0.000 0.000 0.215 363 A C 2.111 179.675 177.584 -0.033 0.000 1.186 363 A CA 1.705 53.730 52.037 -0.020 0.000 0.616 363 A CB -0.644 18.378 19.000 0.036 0.000 0.823 363 A HN 0.607 nan 8.150 nan 0.000 0.442 364 L N 0.073 121.266 121.223 -0.050 0.000 2.042 364 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 364 L C 2.492 179.334 176.870 -0.048 0.000 1.076 364 L CA 2.755 57.562 54.840 -0.055 0.000 0.749 364 L CB -1.162 40.851 42.059 -0.076 0.000 0.893 364 L HN 0.414 nan 8.230 nan 0.000 0.432 365 T N -1.170 113.354 114.554 -0.050 0.000 2.684 365 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 365 T C 1.725 176.407 174.700 -0.030 0.000 1.036 365 T CA 2.078 64.155 62.100 -0.037 0.000 1.148 365 T CB -0.568 68.279 68.868 -0.036 0.000 0.863 365 T HN 0.448 nan 8.240 nan 0.000 0.436 366 T N 1.920 116.455 114.554 -0.031 0.000 2.708 366 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 366 T C 2.199 176.883 174.700 -0.027 0.000 1.037 366 T CA 1.060 63.144 62.100 -0.027 0.000 1.146 366 T CB -0.661 68.190 68.868 -0.028 0.000 0.865 366 T HN 0.149 nan 8.240 nan 0.000 0.435 367 V N 1.503 121.398 119.914 -0.032 0.000 2.392 367 V HA -0.105 4.015 4.120 -0.000 0.000 0.249 367 V C 2.194 178.268 176.094 -0.033 0.000 1.059 367 V CA 1.470 63.749 62.300 -0.035 0.000 1.051 367 V CB -0.628 31.169 31.823 -0.044 0.000 0.658 367 V HN 0.469 nan 8.190 nan 0.000 0.455 368 L N -0.100 121.105 121.223 -0.030 0.000 2.591 368 L HA 0.305 4.645 4.340 -0.000 0.000 0.228 368 L C 1.172 178.030 176.870 -0.020 0.000 1.133 368 L CA -0.140 54.685 54.840 -0.025 0.000 0.880 368 L CB -0.372 41.673 42.059 -0.023 0.000 1.033 368 L HN 0.262 nan 8.230 nan 0.000 0.450 369 A N 1.097 123.905 122.820 -0.020 0.000 2.440 369 A HA 0.263 4.583 4.320 -0.000 0.000 0.251 369 A C -1.087 176.489 177.584 -0.014 0.000 1.089 369 A CA -1.115 50.912 52.037 -0.016 0.000 0.779 369 A CB -0.023 18.968 19.000 -0.016 0.000 1.022 369 A HN -0.005 nan 8.150 nan 0.000 0.492 370 P HA -0.228 nan 4.420 nan 0.000 0.217 370 P C 1.341 178.636 177.300 -0.009 0.000 1.148 370 P CA 2.205 65.299 63.100 -0.010 0.000 0.834 370 P CB 0.061 31.756 31.700 -0.008 0.000 0.783 371 E N 0.523 120.718 120.200 -0.009 0.000 2.038 371 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 371 E C 2.096 178.690 176.600 -0.010 0.000 1.000 371 E CA 2.367 58.762 56.400 -0.009 0.000 0.803 371 E CB -2.170 27.525 29.700 -0.009 0.000 0.750 371 E HN 0.333 nan 8.360 nan 0.000 0.448 372 T N 0.113 114.660 114.554 -0.012 0.000 2.684 372 T HA -0.188 4.161 4.350 -0.000 0.000 0.267 372 T C 2.153 176.845 174.700 -0.013 0.000 1.036 372 T CA 1.501 63.593 62.100 -0.014 0.000 1.148 372 T CB -0.244 68.613 68.868 -0.019 0.000 0.863 372 T HN 0.339 nan 8.240 nan 0.000 0.436 373 R N 2.026 122.519 120.500 -0.013 0.000 2.073 373 R HA 0.088 4.428 4.340 -0.000 0.000 0.234 373 R C 2.482 178.778 176.300 -0.006 0.000 1.134 373 R CA 1.941 58.034 56.100 -0.011 0.000 0.952 373 R CB -1.315 28.978 30.300 -0.011 0.000 0.850 373 R HN 0.377 nan 8.270 nan 0.000 0.433 374 A N 0.504 123.321 122.820 -0.006 0.000 1.908 374 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 374 A C 2.239 179.822 177.584 -0.001 0.000 1.181 374 A CA 1.954 53.989 52.037 -0.003 0.000 0.627 374 A CB -0.554 18.445 19.000 -0.003 0.000 0.818 374 A HN 0.316 nan 8.150 nan 0.000 0.445 375 R N 0.135 120.633 120.500 -0.003 0.000 2.075 375 R HA 0.038 4.378 4.340 -0.000 0.000 0.232 375 R C 2.155 178.455 176.300 0.000 0.000 1.126 375 R CA 1.868 57.967 56.100 -0.002 0.000 0.963 375 R CB -1.029 29.268 30.300 -0.004 0.000 0.858 375 R HN 0.389 nan 8.270 nan 0.000 0.435 376 A N 0.190 123.009 122.820 -0.001 0.000 1.877 376 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 376 A C 2.164 179.753 177.584 0.008 0.000 1.186 376 A CA 1.835 53.874 52.037 0.002 0.000 0.620 376 A CB -0.814 18.184 19.000 -0.003 0.000 0.822 376 A HN 0.392 nan 8.150 nan 0.000 0.443 377 E N -0.603 119.600 120.200 0.006 0.000 2.085 377 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 377 E C 2.460 179.066 176.600 0.011 0.000 0.994 377 E CA 1.188 57.594 56.400 0.010 0.000 0.801 377 E CB -0.952 28.752 29.700 0.007 0.000 0.743 377 E HN 0.814 nan 8.360 nan 0.000 0.453 378 A N 0.587 123.412 122.820 0.008 0.000 1.858 378 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 378 A C 2.597 180.189 177.584 0.012 0.000 1.190 378 A CA 1.725 53.767 52.037 0.009 0.000 0.617 378 A CB -0.838 18.166 19.000 0.006 0.000 0.827 378 A HN 0.338 nan 8.150 nan 0.000 0.443 379 V N 0.124 120.045 119.914 0.012 0.000 2.490 379 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 379 V C 2.985 179.092 176.094 0.021 0.000 1.061 379 V CA 1.718 64.027 62.300 0.015 0.000 1.064 379 V CB -1.310 30.520 31.823 0.011 0.000 0.670 379 V HN 0.620 nan 8.190 nan 0.000 0.461 380 A N 0.620 123.454 122.820 0.022 0.000 2.032 380 A HA -0.135 4.185 4.320 -0.000 0.000 0.221 380 A C 2.254 179.857 177.584 0.032 0.000 1.165 380 A CA 1.884 53.939 52.037 0.030 0.000 0.645 380 A CB -0.844 18.174 19.000 0.031 0.000 0.807 380 A HN 0.577 nan 8.150 nan 0.000 0.453 381 G N -1.588 107.227 108.800 0.026 0.000 2.880 381 G HA2 0.189 4.149 3.960 -0.000 0.000 0.209 381 G HA3 0.189 4.149 3.960 -0.000 0.000 0.209 381 G C 1.226 176.142 174.900 0.027 0.000 1.157 381 G CA 0.513 45.627 45.100 0.025 0.000 0.779 381 G HN 0.511 nan 8.290 nan 0.000 0.539 382 M N 0.650 120.268 119.600 0.029 0.000 2.441 382 M HA 0.170 4.650 4.480 -0.000 0.000 0.244 382 M C 0.973 177.299 176.300 0.044 0.000 1.122 382 M CA 0.300 55.619 55.300 0.032 0.000 1.041 382 M CB 1.172 33.788 32.600 0.027 0.000 1.438 382 M HN 0.086 nan 8.290 nan 0.000 0.484 383 V N -1.777 118.168 119.914 0.051 0.000 2.802 383 V HA 0.319 4.439 4.120 -0.000 0.000 0.350 383 V C 0.626 176.771 176.094 0.085 0.000 1.233 383 V CA -0.191 62.154 62.300 0.075 0.000 1.337 383 V CB -0.692 31.175 31.823 0.074 0.000 1.497 383 V HN 0.392 nan 8.190 nan 0.000 0.616 384 L N -0.376 120.886 121.223 0.065 0.000 2.640 384 L HA 0.266 4.606 4.340 -0.000 0.000 0.230 384 L C 1.136 178.038 176.870 0.053 0.000 1.123 384 L CA 0.071 54.945 54.840 0.056 0.000 0.900 384 L CB 0.069 42.151 42.059 0.038 0.000 1.146 384 L HN 0.374 nan 8.230 nan 0.000 0.484 385 T N 1.232 115.823 114.554 0.062 0.000 2.849 385 T HA -0.125 4.225 4.350 -0.000 0.000 0.289 385 T C 0.289 175.021 174.700 0.053 0.000 1.010 385 T CA 0.445 62.578 62.100 0.054 0.000 1.161 385 T CB 0.247 69.155 68.868 0.068 0.000 0.989 385 T HN 0.054 nan 8.240 nan 0.000 0.523 386 D N 2.634 123.050 120.400 0.025 0.000 2.453 386 D HA 0.223 4.863 4.640 -0.000 0.000 0.223 386 D C 1.363 177.659 176.300 -0.007 0.000 1.183 386 D CA -0.260 53.742 54.000 0.004 0.000 0.933 386 D CB 0.307 41.093 40.800 -0.024 0.000 1.038 386 D HN 0.630 nan 8.370 nan 0.000 0.513 387 G N 2.863 111.691 108.800 0.047 0.000 2.402 387 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.216 387 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.216 387 G C 1.463 176.230 174.900 -0.221 0.000 1.162 387 G CA 0.825 45.977 45.100 0.087 0.000 0.777 387 G HN 0.570 nan 8.290 nan 0.000 0.539 388 A N 1.224 123.844 122.820 -0.333 0.000 1.908 388 A HA 0.178 4.498 4.320 -0.000 0.000 0.218 388 A C 2.804 180.114 177.584 -0.456 0.000 1.181 388 A CA 2.417 54.081 52.037 -0.621 0.000 0.627 388 A CB -0.780 18.005 19.000 -0.358 0.000 0.818 388 A HN 0.805 nan 8.150 nan 0.000 0.445 389 A N -0.306 122.356 122.820 -0.263 0.000 1.898 389 A HA 0.193 4.513 4.320 -0.000 0.000 0.216 389 A C 2.504 179.964 177.584 -0.206 0.000 1.181 389 A CA 2.018 53.934 52.037 -0.202 0.000 0.620 389 A CB -0.974 17.951 19.000 -0.124 0.000 0.819 389 A HN 1.060 nan 8.150 nan 0.000 0.442 390 A N -0.190 122.521 122.820 -0.180 0.000 1.898 390 A HA 0.198 4.518 4.320 -0.000 0.000 0.216 390 A C 2.484 179.944 177.584 -0.207 0.000 1.181 390 A CA 1.987 53.941 52.037 -0.139 0.000 0.620 390 A CB -0.931 18.032 19.000 -0.061 0.000 0.819 390 A HN 0.992 nan 8.150 nan 0.000 0.442 391 A N -0.107 122.504 122.820 -0.348 0.000 1.898 391 A HA 0.207 4.527 4.320 -0.000 0.000 0.216 391 A C 2.506 179.785 177.584 -0.508 0.000 1.181 391 A CA 1.936 53.684 52.037 -0.481 0.000 0.620 391 A CB -1.036 17.358 19.000 -1.010 0.000 0.819 391 A HN 1.047 nan 8.150 nan 0.000 0.442 392 A N 0.148 122.681 122.820 -0.478 0.000 1.940 392 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 392 A C 1.733 179.142 177.584 -0.291 0.000 1.176 392 A CA 2.018 53.828 52.037 -0.379 0.000 0.631 392 A CB -0.595 18.221 19.000 -0.305 0.000 0.814 392 A HN 0.465 nan 8.150 nan 0.000 0.446 393 D N -0.040 120.218 120.400 -0.237 0.000 2.144 393 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 393 D C 1.949 178.148 176.300 -0.169 0.000 0.978 393 D CA 0.847 54.747 54.000 -0.167 0.000 0.833 393 D CB -0.343 40.385 40.800 -0.121 0.000 0.961 393 D HN 0.454 nan 8.370 nan 0.000 0.470 394 L N 0.288 121.381 121.223 -0.216 0.000 2.017 394 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 394 L C 2.511 179.190 176.870 -0.319 0.000 1.073 394 L CA 0.695 55.416 54.840 -0.198 0.000 0.745 394 L CB -0.393 41.539 42.059 -0.211 0.000 0.894 394 L HN -0.041 nan 8.230 nan 0.000 0.432 395 V N 0.190 119.756 119.914 -0.581 0.000 2.295 395 V HA -0.299 3.820 4.120 -0.000 0.000 0.246 395 V C 2.396 178.373 176.094 -0.196 0.000 1.049 395 V CA 1.754 63.693 62.300 -0.602 0.000 1.024 395 V CB -0.415 31.064 31.823 -0.573 0.000 0.648 395 V HN 0.344 nan 8.190 nan 0.000 0.447 396 L N 0.151 121.273 121.223 -0.168 0.000 2.046 396 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 396 L C 2.740 179.588 176.870 -0.037 0.000 1.077 396 L CA 1.564 56.352 54.840 -0.086 0.000 0.747 396 L CB -0.907 41.096 42.059 -0.094 0.000 0.896 396 L HN 0.366 nan 8.230 nan 0.000 0.432 397 A N 0.129 122.928 122.820 -0.036 0.000 1.972 397 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 397 A C 2.516 180.130 177.584 0.050 0.000 1.169 397 A CA 1.741 53.781 52.037 0.004 0.000 0.635 397 A CB -0.555 18.448 19.000 0.005 0.000 0.810 397 A HN 0.418 nan 8.150 nan 0.000 0.446 398 A N -0.792 122.090 122.820 0.103 0.000 1.929 398 A HA 0.096 4.416 4.320 -0.000 0.000 0.216 398 A C 2.165 179.816 177.584 0.111 0.000 1.176 398 A CA 1.515 53.656 52.037 0.172 0.000 0.628 398 A CB -0.687 18.564 19.000 0.418 0.000 0.816 398 A HN 0.346 nan 8.150 nan 0.000 0.444 399 V N -0.078 119.885 119.914 0.082 0.000 2.427 399 V HA -0.129 3.991 4.120 -0.000 0.000 0.248 399 V C 2.762 178.875 176.094 0.032 0.000 1.051 399 V CA 1.727 64.058 62.300 0.053 0.000 1.048 399 V CB -1.241 30.599 31.823 0.028 0.000 0.666 399 V HN 0.597 nan 8.190 nan 0.000 0.456 400 G N 0.107 108.921 108.800 0.023 0.000 2.433 400 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 400 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 400 G C 1.207 176.118 174.900 0.020 0.000 1.186 400 G CA 1.006 46.114 45.100 0.014 0.000 0.779 400 G HN 0.639 nan 8.290 nan 0.000 0.543 401 R N 0.000 120.517 120.500 0.028 0.000 2.786 401 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 401 R CA 0.000 56.116 56.100 0.027 0.000 0.921 401 R CB 0.000 30.321 30.300 0.034 0.000 0.687 401 R HN 0.000 nan 8.270 nan 0.000 0.535