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 2fvm_1_B DATA FIRST_RESID 2 DATA SEQUENCE PIYDLIIKNG IICTASDIYA AEIAVNNGKV QLIAASIDPS LGSEVIDAEG DATA SEQUENCE AFITPGGIDA HVHVDEPLKL LGDVVDTMEH ATRSAVAGGT TTVVAFSTQD DATA SEQUENCE VSKKGPSALA ESVKLDVDEY SEQTLYCDYG LHLILFQIEK PSVEARELLD DATA SEQUENCE VQLQAAYNDY GVSSVXMFMT YPGLQISDYD IMSAMYATRK NGFTTMLHAE DATA SEQUENCE NGDMVKWMIE ALEEQGLTDA YYHGVSRPSI VEGEATNRAI TLATTMDTPI DATA SEQUENCE LFVHVSSPQA AEVIKQAQTK GLKVYAETCP QYALLSDAIT RCHXXXXXXX DATA SEQUENCE XGVGIDLSSI SESPFTNPDD RFIGSKYICS PPIRPEGTQK SIWKGMNNGT DATA SEQUENCE FTIVGSDHCS YNYYEKTSTA SKHRAFDPEN NKNGEFRYIP NGLPGVCTRM DATA SEQUENCE PLLYDYGYLR GNLTSMMKLV EIQCTNPAKV YGMYPQKGSI LPGVSDADLV DATA SEQUENCE IWYPDDSKKE YNSKPKLITN KLMEHNCDYT PFEGIEIKNW PRYTIVKGKI DATA SEQUENCE VYKEGEILKE NADGKYLKRG KSFMCTPKNE WVTEWRPKYE 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.231 177.300 -0.114 0.000 1.155 2 P CA 0.000 63.061 63.100 -0.065 0.000 0.800 2 P CB 0.000 31.681 31.700 -0.031 0.000 0.726 3 I N -3.028 117.404 120.570 -0.229 0.000 2.500 3 I HA 0.081 4.251 4.170 0.001 0.000 0.252 3 I C -0.265 175.592 176.117 -0.432 0.000 1.142 3 I CA 0.910 61.970 61.300 -0.401 0.000 1.451 3 I CB -0.253 37.387 38.000 -0.600 0.000 1.093 3 I HN 0.190 nan 8.210 nan 0.000 0.430 4 Y N 1.278 121.572 120.300 -0.010 0.000 2.468 4 Y HA 0.345 4.896 4.550 0.001 0.000 0.342 4 Y C 0.778 176.670 175.900 -0.013 0.000 1.021 4 Y CA -1.162 56.930 58.100 -0.013 0.000 1.079 4 Y CB 1.069 39.520 38.460 -0.015 0.000 1.226 4 Y HN -0.157 nan 8.280 nan 0.000 0.460 5 D N 0.890 121.385 120.400 0.159 0.000 2.149 5 D HA -0.034 4.607 4.640 0.001 0.000 0.201 5 D C -0.302 176.035 176.300 0.062 0.000 0.972 5 D CA 1.530 55.577 54.000 0.078 0.000 0.835 5 D CB 0.389 41.219 40.800 0.051 0.000 0.966 5 D HN 0.232 nan 8.370 nan 0.000 0.476 6 L N -0.057 121.203 121.223 0.062 0.000 2.513 6 L HA 0.424 4.764 4.340 0.001 0.000 0.261 6 L C -1.833 175.022 176.870 -0.026 0.000 0.945 6 L CA -0.507 54.336 54.840 0.006 0.000 0.848 6 L CB 2.266 44.312 42.059 -0.023 0.000 1.334 6 L HN -0.231 nan 8.230 nan 0.000 0.407 7 I N 5.444 125.990 120.570 -0.040 0.000 2.466 7 I HA 0.467 4.637 4.170 0.001 0.000 0.289 7 I C -0.804 175.256 176.117 -0.095 0.000 1.026 7 I CA -0.449 60.810 61.300 -0.069 0.000 1.078 7 I CB 1.995 39.981 38.000 -0.022 0.000 1.249 7 I HN 0.464 nan 8.210 nan 0.000 0.429 8 I N 6.625 127.127 120.570 -0.113 0.000 2.312 8 I HA 0.353 4.523 4.170 0.001 0.000 0.290 8 I C -0.117 175.943 176.117 -0.095 0.000 1.008 8 I CA -0.459 60.765 61.300 -0.127 0.000 1.226 8 I CB 0.793 38.709 38.000 -0.139 0.000 1.371 8 I HN 0.454 nan 8.210 nan 0.000 0.468 9 K N 4.840 125.190 120.400 -0.083 0.000 2.221 9 K HA 0.446 4.767 4.320 0.001 0.000 0.243 9 K C 0.174 176.746 176.600 -0.046 0.000 0.968 9 K CA -0.817 55.438 56.287 -0.053 0.000 0.846 9 K CB 1.060 33.539 32.500 -0.035 0.000 1.141 9 K HN 0.529 nan 8.250 nan 0.000 0.434 10 N N -0.542 118.140 118.700 -0.029 0.000 2.708 10 N HA -0.160 4.580 4.740 0.001 0.000 0.251 10 N C -0.229 175.266 175.510 -0.025 0.000 1.123 10 N CA 1.211 54.250 53.050 -0.019 0.000 0.739 10 N CB -1.398 37.085 38.487 -0.007 0.000 1.113 10 N HN 0.830 nan 8.380 nan 0.000 0.561 11 G N -0.433 108.344 108.800 -0.038 0.000 2.509 11 G HA2 0.714 4.674 3.960 0.001 0.000 0.328 11 G HA3 0.714 4.674 3.960 0.001 0.000 0.328 11 G C -0.088 174.793 174.900 -0.031 0.000 1.194 11 G CA -0.565 44.515 45.100 -0.032 0.000 0.967 11 G HN 0.139 nan 8.290 nan 0.000 0.488 12 I N 1.225 121.805 120.570 0.016 0.000 2.354 12 I HA 0.301 4.471 4.170 0.001 0.000 0.286 12 I C 0.002 176.145 176.117 0.042 0.000 1.007 12 I CA -0.646 60.685 61.300 0.052 0.000 1.167 12 I CB 1.172 39.295 38.000 0.205 0.000 1.320 12 I HN 0.267 nan 8.210 nan 0.000 0.458 13 I N 5.212 125.659 120.570 -0.205 0.000 2.471 13 I HA 0.096 4.267 4.170 0.001 0.000 0.286 13 I C 0.248 176.264 176.117 -0.169 0.000 1.079 13 I CA 0.221 61.366 61.300 -0.259 0.000 1.398 13 I CB 0.995 38.654 38.000 -0.567 0.000 1.403 13 I HN 0.565 nan 8.210 nan 0.000 0.530 14 C N 6.437 125.686 119.300 -0.085 0.000 2.345 14 C HA 0.722 5.182 4.460 0.001 0.000 0.323 14 C C 0.565 175.528 174.990 -0.046 0.000 1.276 14 C CA -0.116 58.834 59.018 -0.113 0.000 1.543 14 C CB 0.440 28.022 27.740 -0.262 0.000 2.211 14 C HN 0.944 nan 8.230 nan 0.000 0.493 15 T N 1.830 116.378 114.554 -0.009 0.000 2.762 15 T HA 0.634 4.984 4.350 0.001 0.000 0.272 15 T C 1.000 175.697 174.700 -0.004 0.000 0.982 15 T CA 0.122 62.235 62.100 0.022 0.000 1.013 15 T CB 1.279 70.193 68.868 0.077 0.000 1.309 15 T HN 0.871 nan 8.240 nan 0.000 0.572 16 A N 0.208 123.036 122.820 0.013 0.000 2.172 16 A HA 0.200 4.521 4.320 0.001 0.000 0.216 16 A C 1.998 179.577 177.584 -0.007 0.000 1.154 16 A CA 1.475 53.510 52.037 -0.002 0.000 0.701 16 A CB -0.981 18.023 19.000 0.006 0.000 0.789 16 A HN 1.302 nan 8.150 nan 0.000 0.465 17 S N -2.571 113.132 115.700 0.004 0.000 2.817 17 S HA 0.249 4.720 4.470 0.001 0.000 0.262 17 S C -0.440 174.165 174.600 0.008 0.000 1.051 17 S CA -0.367 57.834 58.200 0.001 0.000 1.185 17 S CB 0.421 63.623 63.200 0.003 0.000 1.152 17 S HN 0.292 nan 8.310 nan 0.000 0.653 18 D N 0.910 121.330 120.400 0.034 0.000 2.756 18 D HA 0.498 5.138 4.640 0.001 0.000 0.226 18 D C -1.369 175.003 176.300 0.121 0.000 1.186 18 D CA -0.324 53.725 54.000 0.082 0.000 0.845 18 D CB 2.289 43.160 40.800 0.120 0.000 1.610 18 D HN 0.211 nan 8.370 nan 0.000 0.465 19 I N 2.304 122.960 120.570 0.143 0.000 2.478 19 I HA 0.399 4.570 4.170 0.001 0.000 0.287 19 I C -1.182 175.101 176.117 0.277 0.000 1.042 19 I CA -0.836 60.535 61.300 0.118 0.000 1.067 19 I CB 1.414 39.403 38.000 -0.019 0.000 1.233 19 I HN 0.364 nan 8.210 nan 0.000 0.431 20 Y N 4.021 124.340 120.300 0.033 0.000 2.604 20 Y HA 0.770 5.320 4.550 0.001 0.000 0.331 20 Y C -1.086 174.848 175.900 0.057 0.000 1.158 20 Y CA -1.424 56.701 58.100 0.043 0.000 1.056 20 Y CB 1.054 39.527 38.460 0.022 0.000 1.330 20 Y HN 0.521 nan 8.280 nan 0.000 0.457 21 A N 2.143 125.018 122.820 0.091 0.000 2.347 21 A HA 0.842 5.163 4.320 0.001 0.000 0.287 21 A C -0.131 177.462 177.584 0.014 0.000 1.199 21 A CA 0.524 52.566 52.037 0.008 0.000 0.851 21 A CB -0.689 18.343 19.000 0.053 0.000 1.118 21 A HN 1.784 nan 8.150 nan 0.000 0.525 22 A N 2.975 125.733 122.820 -0.103 0.000 2.564 22 A HA 0.749 5.070 4.320 0.001 0.000 0.291 22 A C -0.918 176.620 177.584 -0.076 0.000 1.102 22 A CA -0.744 51.269 52.037 -0.041 0.000 0.660 22 A CB 0.881 19.901 19.000 0.034 0.000 1.283 22 A HN 0.724 nan 8.150 nan 0.000 0.430 23 E N -0.216 119.959 120.200 -0.041 0.000 2.277 23 E HA 0.683 5.033 4.350 0.001 0.000 0.266 23 E C -1.352 175.204 176.600 -0.073 0.000 0.901 23 E CA -0.618 55.747 56.400 -0.059 0.000 0.782 23 E CB 2.416 32.092 29.700 -0.041 0.000 1.228 23 E HN 0.496 nan 8.360 nan 0.000 0.424 24 I N 1.244 121.755 120.570 -0.098 0.000 2.465 24 I HA 0.507 4.677 4.170 0.001 0.000 0.291 24 I C -0.538 175.475 176.117 -0.174 0.000 1.014 24 I CA -0.844 60.383 61.300 -0.121 0.000 1.093 24 I CB 1.933 39.870 38.000 -0.105 0.000 1.267 24 I HN 0.481 nan 8.210 nan 0.000 0.431 25 A N 5.852 128.511 122.820 -0.269 0.000 2.324 25 A HA 0.878 5.199 4.320 0.001 0.000 0.330 25 A C -0.851 176.529 177.584 -0.340 0.000 1.165 25 A CA -0.541 51.233 52.037 -0.439 0.000 0.813 25 A CB 1.485 19.875 19.000 -1.017 0.000 1.197 25 A HN 0.454 nan 8.150 nan 0.000 0.484 26 V N 2.192 121.969 119.914 -0.229 0.000 2.709 26 V HA 0.599 4.720 4.120 0.001 0.000 0.308 26 V C -0.686 175.409 176.094 0.003 0.000 1.062 26 V CA -0.596 61.645 62.300 -0.098 0.000 0.901 26 V CB 2.096 33.881 31.823 -0.064 0.000 1.003 26 V HN 1.016 nan 8.190 nan 0.000 0.425 27 N N 2.582 121.303 118.700 0.035 0.000 2.367 27 N HA 0.389 5.129 4.740 0.001 0.000 0.278 27 N C -0.251 175.285 175.510 0.045 0.000 1.117 27 N CA -0.419 52.683 53.050 0.087 0.000 0.867 27 N CB 1.379 39.984 38.487 0.196 0.000 1.649 27 N HN 0.621 nan 8.380 nan 0.000 0.479 28 N N 2.049 120.770 118.700 0.034 0.000 2.735 28 N HA -0.171 4.570 4.740 0.001 0.000 0.248 28 N C 0.576 176.089 175.510 0.005 0.000 1.083 28 N CA 2.231 55.291 53.050 0.017 0.000 0.703 28 N CB -1.226 37.271 38.487 0.017 0.000 1.005 28 N HN 1.092 nan 8.380 nan 0.000 0.550 29 G N -1.706 107.096 108.800 0.003 0.000 2.179 29 G HA2 -0.332 3.629 3.960 0.001 0.000 0.260 29 G HA3 -0.332 3.629 3.960 0.001 0.000 0.260 29 G C 0.013 174.904 174.900 -0.015 0.000 0.977 29 G CA 0.912 46.008 45.100 -0.006 0.000 0.641 29 G HN 0.652 nan 8.290 nan 0.000 0.533 30 K N -0.512 119.879 120.400 -0.015 0.000 2.443 30 K HA 0.619 4.939 4.320 0.001 0.000 0.251 30 K C 0.094 176.673 176.600 -0.035 0.000 0.972 30 K CA -1.021 55.251 56.287 -0.026 0.000 0.833 30 K CB 2.813 35.298 32.500 -0.026 0.000 1.317 30 K HN 0.027 nan 8.250 nan 0.000 0.441 31 V N 3.099 122.986 119.914 -0.045 0.000 2.585 31 V HA -0.050 4.071 4.120 0.001 0.000 0.296 31 V C 0.773 176.830 176.094 -0.061 0.000 1.035 31 V CA 0.450 62.713 62.300 -0.060 0.000 1.084 31 V CB 0.962 32.754 31.823 -0.052 0.000 0.953 31 V HN 0.735 nan 8.190 nan 0.000 0.483 32 Q N 2.950 122.692 119.800 -0.096 0.000 2.423 32 Q HA 0.391 4.731 4.340 0.001 0.000 0.231 32 Q C -0.074 175.870 176.000 -0.092 0.000 0.894 32 Q CA 0.280 56.035 55.803 -0.081 0.000 0.938 32 Q CB 1.071 29.759 28.738 -0.084 0.000 1.079 32 Q HN 0.704 nan 8.270 nan 0.000 0.552 33 L N -0.761 120.377 121.223 -0.142 0.000 2.591 33 L HA 0.508 4.848 4.340 0.001 0.000 0.257 33 L C -1.913 174.899 176.870 -0.096 0.000 0.935 33 L CA -0.372 54.399 54.840 -0.114 0.000 0.873 33 L CB 1.732 43.696 42.059 -0.158 0.000 1.397 33 L HN -0.070 nan 8.230 nan 0.000 0.414 34 I N 4.154 124.703 120.570 -0.035 0.000 2.436 34 I HA 0.907 5.078 4.170 0.001 0.000 0.289 34 I C -0.136 175.994 176.117 0.021 0.000 1.010 34 I CA -0.363 60.936 61.300 -0.000 0.000 1.098 34 I CB 1.764 39.801 38.000 0.062 0.000 1.266 34 I HN 0.921 nan 8.210 nan 0.000 0.434 35 A N 3.922 126.752 122.820 0.018 0.000 2.602 35 A HA 0.806 5.126 4.320 0.001 0.000 0.290 35 A C 0.444 178.052 177.584 0.040 0.000 1.114 35 A CA 0.019 52.076 52.037 0.032 0.000 0.683 35 A CB 1.125 20.135 19.000 0.017 0.000 1.281 35 A HN 0.766 nan 8.150 nan 0.000 0.416 36 A N 0.117 122.965 122.820 0.046 0.000 1.883 36 A HA 0.289 4.609 4.320 0.001 0.000 0.217 36 A C 1.230 178.830 177.584 0.027 0.000 1.186 36 A CA 2.402 54.466 52.037 0.046 0.000 0.624 36 A CB -0.396 18.629 19.000 0.042 0.000 0.822 36 A HN 1.988 nan 8.150 nan 0.000 0.444 37 S N -1.549 114.163 115.700 0.021 0.000 2.603 37 S HA 0.597 5.067 4.470 0.001 0.000 0.274 37 S C -1.272 173.339 174.600 0.018 0.000 1.168 37 S CA -0.634 57.576 58.200 0.015 0.000 0.963 37 S CB 0.613 63.824 63.200 0.018 0.000 1.078 37 S HN 0.256 nan 8.310 nan 0.000 0.477 38 I N 3.436 124.014 120.570 0.014 0.000 2.378 38 I HA 0.309 4.480 4.170 0.001 0.000 0.291 38 I C -0.253 175.888 176.117 0.040 0.000 0.992 38 I CA -0.753 60.565 61.300 0.030 0.000 1.154 38 I CB 1.581 39.586 38.000 0.008 0.000 1.315 38 I HN 0.577 nan 8.210 nan 0.000 0.448 39 D N 9.536 129.968 120.400 0.053 0.000 2.502 39 D HA -0.002 4.639 4.640 0.001 0.000 0.249 39 D C -1.293 175.036 176.300 0.049 0.000 1.188 39 D CA -1.555 52.471 54.000 0.044 0.000 0.890 39 D CB 1.148 41.972 40.800 0.040 0.000 1.140 39 D HN 0.263 nan 8.370 nan 0.000 0.505 40 P HA -0.171 nan 4.420 nan 0.000 0.219 40 P C 1.045 178.365 177.300 0.032 0.000 1.146 40 P CA 0.927 64.045 63.100 0.030 0.000 0.808 40 P CB -0.042 31.669 31.700 0.018 0.000 0.779 41 S N -0.807 114.909 115.700 0.026 0.000 2.547 41 S HA -0.017 4.454 4.470 0.001 0.000 0.235 41 S C 1.796 176.404 174.600 0.013 0.000 0.980 41 S CA 0.468 58.678 58.200 0.016 0.000 0.941 41 S CB -1.377 61.828 63.200 0.008 0.000 0.763 41 S HN 0.139 nan 8.310 nan 0.000 0.532 42 L N 0.841 122.086 121.223 0.037 0.000 2.558 42 L HA 0.338 4.678 4.340 0.001 0.000 0.225 42 L C 1.275 178.185 176.870 0.066 0.000 1.128 42 L CA 0.080 54.935 54.840 0.024 0.000 0.868 42 L CB -0.379 41.726 42.059 0.078 0.000 1.006 42 L HN 0.435 nan 8.230 nan 0.000 0.454 43 G N -1.525 107.331 108.800 0.094 0.000 2.452 43 G HA2 0.364 4.324 3.960 0.001 0.000 0.324 43 G HA3 0.364 4.324 3.960 0.001 0.000 0.324 43 G C 0.334 175.263 174.900 0.049 0.000 1.214 43 G CA -0.277 44.886 45.100 0.106 0.000 0.947 43 G HN -0.099 nan 8.290 nan 0.000 0.478 44 S N 0.228 115.954 115.700 0.044 0.000 2.406 44 S HA 0.004 4.474 4.470 0.001 0.000 0.228 44 S C 0.766 175.379 174.600 0.022 0.000 1.020 44 S CA 0.973 59.188 58.200 0.025 0.000 0.965 44 S CB 0.087 63.301 63.200 0.022 0.000 0.798 44 S HN 0.687 nan 8.310 nan 0.000 0.488 45 E N 0.371 120.585 120.200 0.022 0.000 2.256 45 E HA 0.513 4.864 4.350 0.001 0.000 0.268 45 E C -1.815 174.781 176.600 -0.007 0.000 0.877 45 E CA -0.453 55.952 56.400 0.009 0.000 0.757 45 E CB 1.804 31.508 29.700 0.007 0.000 1.183 45 E HN -0.109 nan 8.360 nan 0.000 0.418 46 V N 5.630 125.534 119.914 -0.016 0.000 2.444 46 V HA 0.446 4.567 4.120 0.001 0.000 0.294 46 V C -0.301 175.751 176.094 -0.070 0.000 1.022 46 V CA -0.624 61.655 62.300 -0.036 0.000 0.850 46 V CB 1.451 33.266 31.823 -0.014 0.000 0.992 46 V HN 0.666 nan 8.190 nan 0.000 0.426 47 I N 3.626 124.114 120.570 -0.137 0.000 2.339 47 I HA 0.350 4.520 4.170 0.001 0.000 0.290 47 I C -0.461 175.558 176.117 -0.164 0.000 0.994 47 I CA -0.368 60.792 61.300 -0.233 0.000 1.191 47 I CB 1.688 39.383 38.000 -0.510 0.000 1.343 47 I HN 0.540 nan 8.210 nan 0.000 0.458 48 D N 5.708 126.052 120.400 -0.094 0.000 2.365 48 D HA 0.280 4.920 4.640 0.001 0.000 0.237 48 D C 0.819 177.094 176.300 -0.041 0.000 1.190 48 D CA -0.170 53.803 54.000 -0.044 0.000 0.867 48 D CB 1.768 42.572 40.800 0.007 0.000 1.050 48 D HN 0.642 nan 8.370 nan 0.000 0.491 49 A N 3.928 126.712 122.820 -0.060 0.000 2.119 49 A HA -0.051 4.269 4.320 0.001 0.000 0.217 49 A C 0.921 178.503 177.584 -0.004 0.000 1.153 49 A CA 0.549 52.557 52.037 -0.048 0.000 0.692 49 A CB -0.487 18.480 19.000 -0.055 0.000 0.799 49 A HN 0.805 nan 8.150 nan 0.000 0.458 50 E N -2.689 117.522 120.200 0.018 0.000 2.360 50 E HA -0.255 4.095 4.350 0.001 0.000 0.238 50 E C 0.848 177.461 176.600 0.023 0.000 1.186 50 E CA 0.397 56.825 56.400 0.047 0.000 0.719 50 E CB -2.017 27.754 29.700 0.118 0.000 1.236 50 E HN 1.483 nan 8.360 nan 0.000 0.386 51 G N -1.649 107.144 108.800 -0.011 0.000 2.179 51 G HA2 -0.311 3.650 3.960 0.001 0.000 0.260 51 G HA3 -0.311 3.650 3.960 0.001 0.000 0.260 51 G C 0.419 175.246 174.900 -0.121 0.000 0.977 51 G CA 0.318 45.390 45.100 -0.047 0.000 0.641 51 G HN 0.961 nan 8.290 nan 0.000 0.533 52 A N -0.321 122.446 122.820 -0.088 0.000 2.346 52 A HA 0.693 5.014 4.320 0.001 0.000 0.252 52 A C 0.360 177.899 177.584 -0.076 0.000 1.089 52 A CA -0.234 51.733 52.037 -0.117 0.000 0.797 52 A CB 0.255 19.255 19.000 0.001 0.000 1.047 52 A HN 0.642 nan 8.150 nan 0.000 0.494 53 F N -0.254 119.782 119.950 0.142 0.000 2.518 53 F HA 0.311 4.839 4.527 0.001 0.000 0.359 53 F C 0.377 176.301 175.800 0.207 0.000 1.118 53 F CA 0.336 58.403 58.000 0.113 0.000 1.287 53 F CB 0.544 39.566 39.000 0.038 0.000 1.132 53 F HN 0.251 nan 8.300 nan 0.000 0.587 54 I N 2.280 123.038 120.570 0.314 0.000 2.362 54 I HA 0.283 4.454 4.170 0.001 0.000 0.289 54 I C -0.040 176.194 176.117 0.194 0.000 0.994 54 I CA -0.396 61.032 61.300 0.213 0.000 1.158 54 I CB 1.697 39.732 38.000 0.058 0.000 1.315 54 I HN 0.596 nan 8.210 nan 0.000 0.451 55 T N 3.266 117.977 114.554 0.261 0.000 2.940 55 T HA 0.630 4.980 4.350 0.001 0.000 0.288 55 T C -2.761 172.011 174.700 0.119 0.000 1.033 55 T CA -2.522 59.695 62.100 0.194 0.000 1.033 55 T CB 1.872 70.933 68.868 0.322 0.000 1.079 55 T HN 0.099 nan 8.240 nan 0.000 0.496 56 P HA 0.285 nan 4.420 nan 0.000 0.270 56 P C 0.595 177.934 177.300 0.064 0.000 1.223 56 P CA -0.035 63.100 63.100 0.058 0.000 0.785 56 P CB 0.013 31.747 31.700 0.058 0.000 0.923 57 G N 1.064 109.883 108.800 0.031 0.000 2.491 57 G HA2 0.365 4.325 3.960 0.001 0.000 0.238 57 G HA3 0.365 4.325 3.960 0.001 0.000 0.238 57 G C 0.444 175.364 174.900 0.033 0.000 1.277 57 G CA -0.098 45.009 45.100 0.013 0.000 0.851 57 G HN 0.603 nan 8.290 nan 0.000 0.573 58 G N -0.495 108.321 108.800 0.026 0.000 2.491 58 G HA2 0.444 4.405 3.960 0.001 0.000 0.242 58 G HA3 0.444 4.405 3.960 0.001 0.000 0.242 58 G C -0.219 174.697 174.900 0.027 0.000 1.266 58 G CA -0.536 44.588 45.100 0.039 0.000 0.844 58 G HN 0.635 nan 8.290 nan 0.000 0.571 59 I N 1.500 122.097 120.570 0.045 0.000 2.439 59 I HA 0.172 4.343 4.170 0.001 0.000 0.283 59 I C -1.097 175.059 176.117 0.065 0.000 1.023 59 I CA -0.686 60.642 61.300 0.047 0.000 1.100 59 I CB 2.021 40.058 38.000 0.061 0.000 1.238 59 I HN 0.300 nan 8.210 nan 0.000 0.445 60 D N 5.757 126.187 120.400 0.050 0.000 2.427 60 D HA 0.418 5.059 4.640 0.001 0.000 0.226 60 D C 0.419 176.765 176.300 0.077 0.000 1.076 60 D CA -0.266 53.780 54.000 0.076 0.000 0.849 60 D CB 1.904 42.737 40.800 0.055 0.000 1.052 60 D HN 0.628 nan 8.370 nan 0.000 0.515 61 A N 3.718 126.617 122.820 0.131 0.000 2.415 61 A HA 0.064 4.384 4.320 0.001 0.000 0.248 61 A C 0.406 178.072 177.584 0.136 0.000 1.299 61 A CA -0.090 51.992 52.037 0.076 0.000 0.899 61 A CB -0.359 18.732 19.000 0.151 0.000 0.997 61 A HN 0.685 nan 8.150 nan 0.000 0.506 62 H N -0.701 118.440 119.070 0.118 0.000 2.538 62 H HA 0.507 5.063 4.556 0.001 0.000 0.239 62 H C -1.720 173.729 175.328 0.202 0.000 1.401 62 H CA -0.270 55.910 56.048 0.221 0.000 1.499 62 H CB 0.734 30.648 29.762 0.253 0.000 1.624 62 H HN 0.052 nan 8.280 nan 0.000 0.524 63 V N 3.531 123.611 119.914 0.278 0.000 2.604 63 V HA 0.260 4.381 4.120 0.001 0.000 0.305 63 V C -0.366 175.830 176.094 0.170 0.000 1.043 63 V CA -0.817 61.624 62.300 0.234 0.000 0.888 63 V CB 1.734 33.622 31.823 0.109 0.000 0.995 63 V HN 0.677 nan 8.190 nan 0.000 0.429 64 H N 3.034 122.359 119.070 0.426 0.000 2.481 64 H HA 0.681 5.237 4.556 0.001 0.000 0.333 64 H C -0.819 174.641 175.328 0.220 0.000 1.066 64 H CA -0.328 55.917 56.048 0.328 0.000 1.209 64 H CB 2.296 32.189 29.762 0.219 0.000 1.445 64 H HN 0.368 nan 8.280 nan 0.000 0.488 65 V N 2.123 122.204 119.914 0.278 0.000 2.960 65 V HA 0.009 4.129 4.120 0.001 0.000 0.315 65 V C -0.006 176.197 176.094 0.182 0.000 1.087 65 V CA -0.933 61.460 62.300 0.156 0.000 0.982 65 V CB 2.675 34.492 31.823 -0.010 0.000 1.039 65 V HN 0.730 nan 8.190 nan 0.000 0.437 66 D N 2.323 122.811 120.400 0.147 0.000 2.487 66 D HA 0.291 4.931 4.640 0.001 0.000 0.243 66 D C -0.290 176.151 176.300 0.234 0.000 1.154 66 D CA 0.418 54.513 54.000 0.160 0.000 0.876 66 D CB 0.576 41.457 40.800 0.135 0.000 1.161 66 D HN 0.702 nan 8.370 nan 0.000 0.478 67 E N 2.433 122.746 120.200 0.188 0.000 2.343 67 E HA 0.469 4.819 4.350 0.001 0.000 0.270 67 E C -2.389 174.260 176.600 0.081 0.000 0.895 67 E CA -1.712 54.783 56.400 0.158 0.000 0.767 67 E CB 1.163 30.979 29.700 0.193 0.000 1.248 67 E HN 0.053 nan 8.360 nan 0.000 0.440 68 P HA -0.072 nan 4.420 nan 0.000 0.220 68 P C 0.723 178.040 177.300 0.029 0.000 1.148 68 P CA 1.010 64.118 63.100 0.013 0.000 0.803 68 P CB 0.201 31.886 31.700 -0.026 0.000 0.782 69 L N -1.055 120.194 121.223 0.043 0.000 2.554 69 L HA 0.072 4.412 4.340 0.001 0.000 0.226 69 L C 0.466 177.362 176.870 0.043 0.000 1.137 69 L CA 0.270 55.141 54.840 0.051 0.000 0.863 69 L CB -0.612 41.493 42.059 0.077 0.000 0.985 69 L HN -0.008 nan 8.230 nan 0.000 0.451 70 K N -0.097 120.333 120.400 0.049 0.000 3.096 70 K HA -0.232 4.088 4.320 0.001 0.000 0.266 70 K C 1.029 177.632 176.600 0.005 0.000 1.043 70 K CA 0.387 56.698 56.287 0.039 0.000 0.758 70 K CB -1.912 30.606 32.500 0.030 0.000 1.260 70 K HN 0.212 nan 8.250 nan 0.000 0.481 71 L N 0.227 121.450 121.223 0.000 0.000 2.042 71 L HA -0.117 4.223 4.340 0.001 0.000 0.210 71 L C 1.503 178.297 176.870 -0.126 0.000 1.076 71 L CA 1.879 56.670 54.840 -0.082 0.000 0.749 71 L CB -0.011 42.009 42.059 -0.065 0.000 0.893 71 L HN 0.446 nan 8.230 nan 0.000 0.432 72 L N -0.057 121.130 121.223 -0.059 0.000 2.978 72 L HA 0.433 4.774 4.340 0.001 0.000 0.239 72 L C 1.043 177.952 176.870 0.065 0.000 1.293 72 L CA -0.138 54.675 54.840 -0.045 0.000 1.085 72 L CB -1.123 40.917 42.059 -0.032 0.000 1.432 72 L HN 0.393 nan 8.230 nan 0.000 0.512 73 G N 0.328 109.143 108.800 0.024 0.000 2.641 73 G HA2 -0.246 3.714 3.960 0.001 0.000 0.254 73 G HA3 -0.246 3.714 3.960 0.001 0.000 0.254 73 G C -0.458 174.511 174.900 0.115 0.000 1.315 73 G CA -0.559 44.576 45.100 0.059 0.000 0.907 73 G HN 0.343 nan 8.290 nan 0.000 0.572 74 D N 0.214 120.693 120.400 0.131 0.000 2.351 74 D HA 0.416 5.056 4.640 0.001 0.000 0.251 74 D C 0.405 176.811 176.300 0.176 0.000 1.137 74 D CA 0.158 54.236 54.000 0.131 0.000 0.879 74 D CB 1.610 42.473 40.800 0.104 0.000 1.181 74 D HN 0.358 nan 8.370 nan 0.000 0.448 75 V N 2.488 122.447 119.914 0.074 0.000 2.581 75 V HA 0.046 4.167 4.120 0.001 0.000 0.303 75 V C 1.634 177.702 176.094 -0.043 0.000 1.041 75 V CA -0.685 61.565 62.300 -0.084 0.000 0.907 75 V CB 1.842 33.600 31.823 -0.109 0.000 0.994 75 V HN 0.472 nan 8.190 nan 0.000 0.442 76 V N -0.169 119.679 119.914 -0.111 0.000 2.515 76 V HA 0.004 4.124 4.120 0.001 0.000 0.250 76 V C 0.592 176.664 176.094 -0.037 0.000 1.058 76 V CA 1.220 63.480 62.300 -0.068 0.000 1.064 76 V CB -0.402 31.354 31.823 -0.112 0.000 0.675 76 V HN 0.788 nan 8.190 nan 0.000 0.461 77 D N 2.310 122.706 120.400 -0.006 0.000 2.277 77 D HA 0.440 5.080 4.640 0.001 0.000 0.249 77 D C 0.703 177.122 176.300 0.199 0.000 1.134 77 D CA 0.559 54.644 54.000 0.141 0.000 0.863 77 D CB 1.631 42.537 40.800 0.178 0.000 1.143 77 D HN 0.693 nan 8.370 nan 0.000 0.458 78 T N -0.548 114.206 114.554 0.333 0.000 2.770 78 T HA 0.115 4.466 4.350 0.001 0.000 0.281 78 T C 1.332 175.972 174.700 -0.100 0.000 0.981 78 T CA -0.622 61.526 62.100 0.081 0.000 0.955 78 T CB 0.714 69.578 68.868 -0.007 0.000 1.060 78 T HN 0.132 nan 8.240 nan 0.000 0.531 79 M N 0.227 119.609 119.600 -0.363 0.000 2.213 79 M HA 0.002 4.483 4.480 0.001 0.000 0.263 79 M C 2.228 178.366 176.300 -0.269 0.000 1.062 79 M CA 1.634 56.608 55.300 -0.542 0.000 1.105 79 M CB -1.183 30.687 32.600 -1.217 0.000 1.385 79 M HN 0.932 nan 8.290 nan 0.000 0.417 80 E N -1.078 118.997 120.200 -0.209 0.000 2.049 80 E HA -0.281 4.070 4.350 0.001 0.000 0.198 80 E C 1.821 178.405 176.600 -0.026 0.000 1.007 80 E CA 2.144 58.484 56.400 -0.099 0.000 0.809 80 E CB -0.277 29.309 29.700 -0.190 0.000 0.749 80 E HN 0.750 nan 8.360 nan 0.000 0.450 81 H N -0.583 118.509 119.070 0.036 0.000 2.357 81 H HA -0.013 4.543 4.556 0.001 0.000 0.301 81 H C 2.018 177.336 175.328 -0.016 0.000 1.082 81 H CA 1.115 57.178 56.048 0.024 0.000 1.342 81 H CB -0.027 29.759 29.762 0.040 0.000 1.389 81 H HN 0.319 nan 8.280 nan 0.000 0.511 82 A N 0.514 123.374 122.820 0.067 0.000 1.898 82 A HA -0.177 4.144 4.320 0.001 0.000 0.216 82 A C 2.481 180.007 177.584 -0.097 0.000 1.181 82 A CA 1.831 53.831 52.037 -0.061 0.000 0.620 82 A CB -0.957 17.980 19.000 -0.105 0.000 0.819 82 A HN 0.577 nan 8.150 nan 0.000 0.442 83 T N -2.211 112.313 114.554 -0.050 0.000 2.857 83 T HA -0.133 4.217 4.350 0.001 0.000 0.266 83 T C 1.994 176.681 174.700 -0.022 0.000 1.048 83 T CA 1.225 63.325 62.100 -0.002 0.000 1.139 83 T CB -0.334 68.582 68.868 0.079 0.000 0.874 83 T HN 0.469 nan 8.240 nan 0.000 0.455 84 R N 0.721 121.150 120.500 -0.119 0.000 2.083 84 R HA -0.086 4.254 4.340 0.001 0.000 0.237 84 R C 2.813 178.945 176.300 -0.280 0.000 1.137 84 R CA 1.687 57.479 56.100 -0.514 0.000 0.951 84 R CB -0.680 29.187 30.300 -0.722 0.000 0.851 84 R HN 0.443 nan 8.270 nan 0.000 0.434 85 S N -0.350 115.260 115.700 -0.151 0.000 2.368 85 S HA -0.113 4.357 4.470 0.001 0.000 0.224 85 S C 1.925 176.431 174.600 -0.157 0.000 1.029 85 S CA 1.130 59.260 58.200 -0.116 0.000 0.988 85 S CB -0.248 62.938 63.200 -0.024 0.000 0.838 85 S HN 0.531 nan 8.310 nan 0.000 0.462 86 A N 0.993 123.718 122.820 -0.158 0.000 1.859 86 A HA -0.098 4.223 4.320 0.001 0.000 0.217 86 A C 2.347 179.815 177.584 -0.194 0.000 1.198 86 A CA 2.138 54.082 52.037 -0.156 0.000 0.629 86 A CB -1.346 17.585 19.000 -0.116 0.000 0.830 86 A HN 0.440 nan 8.150 nan 0.000 0.446 87 V N -0.223 119.583 119.914 -0.180 0.000 2.392 87 V HA -0.255 3.866 4.120 0.001 0.000 0.249 87 V C 2.984 178.815 176.094 -0.439 0.000 1.059 87 V CA 1.977 64.153 62.300 -0.206 0.000 1.051 87 V CB -1.103 30.674 31.823 -0.076 0.000 0.658 87 V HN 0.650 nan 8.190 nan 0.000 0.455 88 A N -0.148 122.353 122.820 -0.530 0.000 2.125 88 A HA 0.017 4.337 4.320 0.001 0.000 0.219 88 A C 2.047 179.205 177.584 -0.710 0.000 1.156 88 A CA 1.570 53.023 52.037 -0.973 0.000 0.671 88 A CB -0.525 18.209 19.000 -0.443 0.000 0.794 88 A HN 0.589 nan 8.150 nan 0.000 0.459 89 G N -2.561 105.939 108.800 -0.499 0.000 3.453 89 G HA2 0.414 4.375 3.960 0.001 0.000 0.263 89 G HA3 0.414 4.375 3.960 0.001 0.000 0.263 89 G C 0.955 175.508 174.900 -0.578 0.000 1.060 89 G CA 0.393 45.134 45.100 -0.598 0.000 0.793 89 G HN 1.499 nan 8.290 nan 0.000 0.532 90 G N -0.369 108.131 108.800 -0.501 0.000 2.141 90 G HA2 -0.243 3.718 3.960 0.001 0.000 0.242 90 G HA3 -0.243 3.718 3.960 0.001 0.000 0.242 90 G C 0.235 175.013 174.900 -0.203 0.000 0.982 90 G CA 0.318 45.179 45.100 -0.398 0.000 0.662 90 G HN 0.569 nan 8.290 nan 0.000 0.527 91 T N 0.897 115.348 114.554 -0.171 0.000 2.767 91 T HA 0.550 4.901 4.350 0.001 0.000 0.284 91 T C 1.324 175.982 174.700 -0.071 0.000 0.973 91 T CA 0.478 62.524 62.100 -0.090 0.000 0.996 91 T CB 1.410 70.232 68.868 -0.076 0.000 0.927 91 T HN 0.598 nan 8.240 nan 0.000 0.456 92 T N -0.848 113.684 114.554 -0.037 0.000 3.040 92 T HA 0.258 4.609 4.350 0.001 0.000 0.266 92 T C 0.455 175.152 174.700 -0.005 0.000 1.005 92 T CA -0.247 61.841 62.100 -0.020 0.000 0.906 92 T CB 0.361 69.219 68.868 -0.017 0.000 1.082 92 T HN 0.499 nan 8.240 nan 0.000 0.531 93 T N 2.426 116.977 114.554 -0.006 0.000 2.971 93 T HA 0.642 4.992 4.350 0.001 0.000 0.304 93 T C -0.809 173.887 174.700 -0.006 0.000 1.038 93 T CA -0.724 61.373 62.100 -0.005 0.000 1.007 93 T CB 2.223 71.083 68.868 -0.014 0.000 1.055 93 T HN 0.389 nan 8.240 nan 0.000 0.451 94 V N 0.376 120.291 119.914 0.001 0.000 2.769 94 V HA 0.963 5.083 4.120 0.001 0.000 0.312 94 V C -0.759 175.312 176.094 -0.039 0.000 1.061 94 V CA -0.950 61.342 62.300 -0.013 0.000 0.931 94 V CB 1.882 33.693 31.823 -0.021 0.000 1.010 94 V HN 0.637 nan 8.190 nan 0.000 0.433 95 V N 3.408 123.249 119.914 -0.121 0.000 2.407 95 V HA 0.870 4.990 4.120 0.001 0.000 0.291 95 V C 0.640 176.537 176.094 -0.329 0.000 1.018 95 V CA 0.373 62.489 62.300 -0.307 0.000 0.842 95 V CB 0.625 32.070 31.823 -0.629 0.000 0.996 95 V HN 1.417 nan 8.190 nan 0.000 0.426 96 A N 4.462 127.145 122.820 -0.227 0.000 2.806 96 A HA 0.981 5.301 4.320 0.001 0.000 0.254 96 A C -0.996 176.387 177.584 -0.335 0.000 1.437 96 A CA -0.418 51.534 52.037 -0.142 0.000 0.903 96 A CB 0.769 19.812 19.000 0.072 0.000 1.609 96 A HN 0.580 nan 8.150 nan 0.000 0.505 97 F N -0.506 119.523 119.950 0.132 0.000 2.529 97 F HA 0.522 5.050 4.527 0.001 0.000 0.320 97 F C 0.525 176.447 175.800 0.203 0.000 1.118 97 F CA -0.261 57.852 58.000 0.188 0.000 0.915 97 F CB 2.276 41.417 39.000 0.234 0.000 1.161 97 F HN 0.341 nan 8.300 nan 0.000 0.445 98 S N 1.829 117.723 115.700 0.323 0.000 2.438 98 S HA 0.407 4.878 4.470 0.001 0.000 0.293 98 S C -0.319 174.440 174.600 0.265 0.000 1.141 98 S CA -0.425 57.913 58.200 0.230 0.000 1.080 98 S CB 0.376 63.650 63.200 0.124 0.000 0.978 98 S HN 0.600 nan 8.310 nan 0.000 0.479 99 T N 5.342 120.037 114.554 0.235 0.000 2.761 99 T HA 0.162 4.512 4.350 0.001 0.000 0.296 99 T C 0.218 175.049 174.700 0.220 0.000 0.934 99 T CA -0.142 62.120 62.100 0.270 0.000 1.091 99 T CB 0.703 69.715 68.868 0.239 0.000 0.896 99 T HN 0.762 nan 8.240 nan 0.000 0.515 100 Q N 3.127 123.060 119.800 0.222 0.000 2.308 100 Q HA -0.094 4.246 4.340 0.001 0.000 0.313 100 Q C -0.428 175.611 176.000 0.064 0.000 1.075 100 Q CA 0.194 56.031 55.803 0.057 0.000 0.995 100 Q CB 0.369 29.012 28.738 -0.159 0.000 1.107 100 Q HN 0.499 nan 8.270 nan 0.000 0.380 101 D N 4.302 124.721 120.400 0.032 0.000 2.428 101 D HA 0.056 4.696 4.640 0.001 0.000 0.221 101 D C 0.910 177.215 176.300 0.009 0.000 1.123 101 D CA -0.352 53.675 54.000 0.047 0.000 0.869 101 D CB 1.154 41.974 40.800 0.034 0.000 1.032 101 D HN 0.489 nan 8.370 nan 0.000 0.506 102 V N 2.225 122.151 119.914 0.019 0.000 3.241 102 V HA -0.112 4.009 4.120 0.001 0.000 0.269 102 V C 1.671 177.773 176.094 0.013 0.000 1.151 102 V CA 1.677 63.971 62.300 -0.010 0.000 1.158 102 V CB -0.835 30.996 31.823 0.014 0.000 0.764 102 V HN 0.479 nan 8.190 nan 0.000 0.508 103 S N -0.810 114.906 115.700 0.026 0.000 2.496 103 S HA 0.110 4.580 4.470 0.001 0.000 0.224 103 S C 0.926 175.534 174.600 0.014 0.000 0.996 103 S CA -0.074 58.139 58.200 0.022 0.000 0.927 103 S CB -0.345 62.871 63.200 0.026 0.000 0.774 103 S HN 0.599 nan 8.310 nan 0.000 0.524 104 K N 2.113 122.519 120.400 0.010 0.000 2.205 104 K HA 0.467 4.787 4.320 0.001 0.000 0.279 104 K C -0.168 176.435 176.600 0.005 0.000 1.027 104 K CA -0.171 56.122 56.287 0.009 0.000 0.932 104 K CB 0.869 33.374 32.500 0.009 0.000 1.032 104 K HN 0.166 nan 8.250 nan 0.000 0.466 105 K N 0.348 120.754 120.400 0.009 0.000 2.350 105 K HA 0.613 4.933 4.320 0.001 0.000 0.241 105 K C 0.316 176.924 176.600 0.013 0.000 0.994 105 K CA -0.459 55.834 56.287 0.009 0.000 0.839 105 K CB 1.897 34.403 32.500 0.010 0.000 1.244 105 K HN 0.779 nan 8.250 nan 0.000 0.443 106 G N 1.184 109.992 108.800 0.013 0.000 2.741 106 G HA2 -0.201 3.759 3.960 0.001 0.000 0.222 106 G HA3 -0.201 3.759 3.960 0.001 0.000 0.222 106 G C -2.058 172.854 174.900 0.021 0.000 1.364 106 G CA -0.503 44.606 45.100 0.017 0.000 0.866 106 G HN 0.380 nan 8.290 nan 0.000 0.555 107 P HA -0.049 nan 4.420 nan 0.000 0.218 107 P C 1.973 179.298 177.300 0.042 0.000 1.148 107 P CA 2.557 65.675 63.100 0.030 0.000 0.822 107 P CB -0.087 31.630 31.700 0.029 0.000 0.784 108 S N -1.910 113.815 115.700 0.043 0.000 2.575 108 S HA 0.287 4.758 4.470 0.001 0.000 0.215 108 S C 1.850 176.483 174.600 0.056 0.000 0.966 108 S CA 0.294 58.529 58.200 0.059 0.000 0.911 108 S CB -0.805 62.429 63.200 0.057 0.000 0.780 108 S HN 0.064 nan 8.310 nan 0.000 0.514 109 A N 2.359 125.202 122.820 0.039 0.000 1.948 109 A HA 0.053 4.373 4.320 0.001 0.000 0.220 109 A C 2.131 179.732 177.584 0.028 0.000 1.177 109 A CA 1.506 53.559 52.037 0.026 0.000 0.636 109 A CB -0.715 18.292 19.000 0.012 0.000 0.815 109 A HN 0.599 nan 8.150 nan 0.000 0.449 110 L N -1.559 119.691 121.223 0.045 0.000 2.249 110 L HA 0.027 4.367 4.340 0.001 0.000 0.207 110 L C 2.981 179.892 176.870 0.067 0.000 1.090 110 L CA 0.665 55.539 54.840 0.057 0.000 0.802 110 L CB -0.482 41.624 42.059 0.077 0.000 0.947 110 L HN 0.387 nan 8.230 nan 0.000 0.453 111 A N 0.022 122.905 122.820 0.105 0.000 1.902 111 A HA -0.169 4.151 4.320 0.001 0.000 0.217 111 A C 2.149 179.753 177.584 0.034 0.000 1.181 111 A CA 1.295 53.426 52.037 0.157 0.000 0.623 111 A CB -0.278 18.884 19.000 0.271 0.000 0.818 111 A HN 0.288 nan 8.150 nan 0.000 0.443 112 E N 0.473 120.698 120.200 0.042 0.000 2.204 112 E HA -0.100 4.250 4.350 0.001 0.000 0.195 112 E C 2.221 178.781 176.600 -0.066 0.000 0.990 112 E CA 1.234 57.632 56.400 -0.003 0.000 0.821 112 E CB -0.434 29.278 29.700 0.020 0.000 0.750 112 E HN 0.583 nan 8.360 nan 0.000 0.477 113 S N 0.260 115.927 115.700 -0.054 0.000 2.387 113 S HA -0.075 4.396 4.470 0.001 0.000 0.226 113 S C 2.212 176.737 174.600 -0.125 0.000 1.026 113 S CA 0.842 59.012 58.200 -0.050 0.000 0.972 113 S CB -0.023 63.182 63.200 0.008 0.000 0.814 113 S HN 0.078 nan 8.310 nan 0.000 0.477 114 V N 2.108 121.885 119.914 -0.229 0.000 2.453 114 V HA -0.115 4.006 4.120 0.001 0.000 0.247 114 V C 2.342 178.068 176.094 -0.613 0.000 1.048 114 V CA 1.533 63.593 62.300 -0.400 0.000 1.049 114 V CB -0.561 30.963 31.823 -0.498 0.000 0.672 114 V HN 0.425 nan 8.190 nan 0.000 0.457 115 K N 0.283 120.270 120.400 -0.688 0.000 2.063 115 K HA -0.188 4.132 4.320 0.001 0.000 0.208 115 K C 2.141 178.573 176.600 -0.280 0.000 1.048 115 K CA 1.598 57.589 56.287 -0.493 0.000 0.928 115 K CB -0.263 32.129 32.500 -0.179 0.000 0.713 115 K HN 0.402 nan 8.250 nan 0.000 0.442 116 L N 1.001 122.092 121.223 -0.220 0.000 2.042 116 L HA -0.257 4.083 4.340 0.001 0.000 0.210 116 L C 2.124 178.832 176.870 -0.270 0.000 1.076 116 L CA 1.462 56.195 54.840 -0.178 0.000 0.749 116 L CB -0.500 41.489 42.059 -0.117 0.000 0.893 116 L HN 0.321 nan 8.230 nan 0.000 0.432 117 D N -0.487 119.720 120.400 -0.321 0.000 2.091 117 D HA -0.123 4.518 4.640 0.001 0.000 0.199 117 D C 2.338 178.281 176.300 -0.595 0.000 0.980 117 D CA 1.191 54.880 54.000 -0.518 0.000 0.831 117 D CB -0.195 40.465 40.800 -0.233 0.000 0.987 117 D HN 0.126 nan 8.370 nan 0.000 0.460 118 V N 2.112 121.818 119.914 -0.348 0.000 2.282 118 V HA -0.255 3.866 4.120 0.001 0.000 0.249 118 V C 1.957 177.974 176.094 -0.127 0.000 1.057 118 V CA 1.948 64.123 62.300 -0.208 0.000 1.032 118 V CB -0.546 31.071 31.823 -0.343 0.000 0.645 118 V HN 0.024 nan 8.190 nan 0.000 0.447 119 D N -0.397 119.909 120.400 -0.156 0.000 2.123 119 D HA -0.202 4.439 4.640 0.001 0.000 0.196 119 D C 2.172 178.406 176.300 -0.110 0.000 0.992 119 D CA 1.681 55.626 54.000 -0.093 0.000 0.833 119 D CB -0.214 40.537 40.800 -0.082 0.000 0.954 119 D HN 0.650 nan 8.370 nan 0.000 0.455 120 E N -0.485 119.577 120.200 -0.230 0.000 2.072 120 E HA -0.166 4.184 4.350 0.001 0.000 0.191 120 E C 1.668 178.211 176.600 -0.095 0.000 0.985 120 E CA 0.979 57.246 56.400 -0.220 0.000 0.801 120 E CB -0.212 29.271 29.700 -0.361 0.000 0.750 120 E HN 0.503 nan 8.360 nan 0.000 0.452 121 Y N 0.125 120.404 120.300 -0.036 0.000 2.544 121 Y HA -0.009 4.541 4.550 0.001 0.000 0.286 121 Y C 2.490 178.390 175.900 -0.000 0.000 1.141 121 Y CA 0.135 58.196 58.100 -0.066 0.000 1.299 121 Y CB 0.138 38.472 38.460 -0.210 0.000 1.030 121 Y HN 0.165 nan 8.280 nan 0.000 0.543 122 S N -0.093 115.693 115.700 0.143 0.000 2.474 122 S HA -0.168 4.302 4.470 0.001 0.000 0.235 122 S C 1.377 176.020 174.600 0.071 0.000 0.997 122 S CA 1.262 59.532 58.200 0.116 0.000 0.949 122 S CB -0.086 63.162 63.200 0.081 0.000 0.766 122 S HN 0.331 nan 8.310 nan 0.000 0.517 123 E N 0.806 121.040 120.200 0.056 0.000 2.476 123 E HA 0.254 4.604 4.350 0.001 0.000 0.199 123 E C 0.400 177.014 176.600 0.024 0.000 1.021 123 E CA 0.058 56.477 56.400 0.032 0.000 0.907 123 E CB 0.262 29.976 29.700 0.023 0.000 0.974 123 E HN 0.683 nan 8.360 nan 0.000 0.489 124 Q N -0.157 119.662 119.800 0.033 0.000 2.260 124 Q HA 0.300 4.641 4.340 0.001 0.000 0.238 124 Q C -0.517 175.462 176.000 -0.036 0.000 0.948 124 Q CA -0.179 55.622 55.803 -0.003 0.000 0.895 124 Q CB 1.335 30.068 28.738 -0.008 0.000 1.218 124 Q HN -0.038 nan 8.270 nan 0.000 0.470 125 T N 2.517 117.025 114.554 -0.076 0.000 2.752 125 T HA 0.282 4.633 4.350 0.001 0.000 0.295 125 T C -0.255 174.317 174.700 -0.212 0.000 0.923 125 T CA -0.153 61.846 62.100 -0.168 0.000 1.112 125 T CB -0.072 68.662 68.868 -0.223 0.000 0.884 125 T HN 0.246 nan 8.240 nan 0.000 0.525 126 L N 3.895 124.998 121.223 -0.199 0.000 2.287 126 L HA 0.383 4.724 4.340 0.001 0.000 0.287 126 L C 0.327 177.091 176.870 -0.176 0.000 1.022 126 L CA -0.889 53.885 54.840 -0.110 0.000 0.814 126 L CB 1.107 43.174 42.059 0.013 0.000 1.217 126 L HN 0.698 nan 8.230 nan 0.000 0.420 127 Y N 1.521 121.818 120.300 -0.006 0.000 2.519 127 Y HA 0.038 4.588 4.550 0.001 0.000 0.287 127 Y C 1.109 177.012 175.900 0.005 0.000 1.128 127 Y CA -0.252 57.850 58.100 0.003 0.000 1.282 127 Y CB 0.371 38.829 38.460 -0.003 0.000 1.027 127 Y HN 0.728 nan 8.280 nan 0.000 0.551 128 C N -2.873 116.505 119.300 0.130 0.000 3.332 128 C HA 0.496 4.956 4.460 0.001 0.000 0.329 128 C C -0.917 174.128 174.990 0.091 0.000 1.434 128 C CA -1.553 57.514 59.018 0.081 0.000 1.314 128 C CB 1.128 28.904 27.740 0.059 0.000 1.664 128 C HN -0.004 nan 8.230 nan 0.000 0.457 129 D N 0.909 121.345 120.400 0.061 0.000 2.368 129 D HA 0.500 5.140 4.640 0.001 0.000 0.240 129 D C -0.549 175.817 176.300 0.110 0.000 1.169 129 D CA 0.778 54.812 54.000 0.057 0.000 0.906 129 D CB 0.523 41.301 40.800 -0.037 0.000 1.187 129 D HN 0.830 nan 8.370 nan 0.000 0.435 130 Y N -2.215 118.056 120.300 -0.049 0.000 2.562 130 Y HA 0.667 5.217 4.550 0.001 0.000 0.345 130 Y C -0.405 175.441 175.900 -0.090 0.000 1.045 130 Y CA -1.093 56.973 58.100 -0.057 0.000 1.028 130 Y CB 1.268 39.715 38.460 -0.023 0.000 1.297 130 Y HN 0.361 nan 8.280 nan 0.000 0.463 131 G N 2.187 110.863 108.800 -0.206 0.000 2.788 131 G HA2 0.736 4.696 3.960 0.001 0.000 0.293 131 G HA3 0.736 4.696 3.960 0.001 0.000 0.293 131 G C -2.102 172.754 174.900 -0.074 0.000 1.305 131 G CA -1.336 43.575 45.100 -0.314 0.000 1.005 131 G HN 0.765 nan 8.290 nan 0.000 0.496 132 L N 0.580 121.749 121.223 -0.089 0.000 2.436 132 L HA 0.410 4.750 4.340 0.001 0.000 0.268 132 L C -0.604 176.079 176.870 -0.311 0.000 0.974 132 L CA -1.109 53.657 54.840 -0.124 0.000 0.826 132 L CB 2.399 44.541 42.059 0.138 0.000 1.291 132 L HN 0.485 nan 8.230 nan 0.000 0.406 133 H N 2.465 121.358 119.070 -0.295 0.000 2.505 133 H HA 0.384 4.940 4.556 0.001 0.000 0.355 133 H C -0.708 174.633 175.328 0.022 0.000 1.179 133 H CA -0.592 55.314 56.048 -0.238 0.000 1.343 133 H CB 2.411 31.863 29.762 -0.518 0.000 1.501 133 H HN 0.228 nan 8.280 nan 0.000 0.569 134 L N 2.472 123.855 121.223 0.267 0.000 2.295 134 L HA 0.332 4.672 4.340 0.001 0.000 0.285 134 L C -0.462 176.618 176.870 0.350 0.000 1.035 134 L CA -0.221 54.790 54.840 0.284 0.000 0.806 134 L CB 0.504 42.717 42.059 0.258 0.000 1.214 134 L HN 0.438 nan 8.230 nan 0.000 0.426 135 I N 5.597 126.400 120.570 0.389 0.000 2.331 135 I HA 0.256 4.426 4.170 0.001 0.000 0.292 135 I C -0.885 175.447 176.117 0.359 0.000 0.998 135 I CA -0.588 60.975 61.300 0.440 0.000 1.267 135 I CB 1.378 39.698 38.000 0.533 0.000 1.386 135 I HN 0.394 nan 8.210 nan 0.000 0.476 136 L N 7.376 128.801 121.223 0.336 0.000 2.325 136 L HA 0.361 4.701 4.340 0.001 0.000 0.281 136 L C -0.051 176.997 176.870 0.298 0.000 1.004 136 L CA 0.059 55.017 54.840 0.197 0.000 0.823 136 L CB 1.256 43.398 42.059 0.139 0.000 1.236 136 L HN 0.585 nan 8.230 nan 0.000 0.415 137 F N 0.057 120.100 119.950 0.155 0.000 2.871 137 F HA 0.423 4.951 4.527 0.001 0.000 0.344 137 F C 0.263 176.122 175.800 0.099 0.000 1.078 137 F CA -0.496 57.584 58.000 0.134 0.000 1.149 137 F CB 0.153 39.210 39.000 0.096 0.000 1.087 137 F HN 0.379 nan 8.300 nan 0.000 0.557 138 Q N 2.781 122.410 119.800 -0.286 0.000 2.339 138 Q HA 0.476 4.816 4.340 0.001 0.000 0.268 138 Q C -1.418 174.542 176.000 -0.068 0.000 1.027 138 Q CA -0.533 55.190 55.803 -0.133 0.000 0.759 138 Q CB 1.574 30.172 28.738 -0.232 0.000 1.244 138 Q HN 0.249 nan 8.270 nan 0.000 0.464 139 I N 3.054 123.635 120.570 0.019 0.000 2.433 139 I HA 0.349 4.519 4.170 0.001 0.000 0.292 139 I C 0.141 176.290 176.117 0.053 0.000 1.001 139 I CA -0.895 60.429 61.300 0.039 0.000 1.119 139 I CB 1.585 39.631 38.000 0.077 0.000 1.289 139 I HN 0.549 nan 8.210 nan 0.000 0.438 140 E N 5.316 125.540 120.200 0.040 0.000 2.390 140 E HA 0.339 4.690 4.350 0.001 0.000 0.261 140 E C -0.396 176.251 176.600 0.078 0.000 1.076 140 E CA -0.077 56.350 56.400 0.045 0.000 0.905 140 E CB 1.220 30.938 29.700 0.029 0.000 0.984 140 E HN 0.418 nan 8.360 nan 0.000 0.427 141 K N 1.637 122.085 120.400 0.079 0.000 2.395 141 K HA 0.499 4.819 4.320 0.001 0.000 0.247 141 K C -2.267 174.377 176.600 0.073 0.000 0.973 141 K CA -1.711 54.645 56.287 0.115 0.000 0.828 141 K CB 1.350 33.907 32.500 0.095 0.000 1.272 141 K HN 0.258 nan 8.250 nan 0.000 0.439 142 P HA 0.115 nan 4.420 nan 0.000 0.274 142 P C 0.496 177.871 177.300 0.124 0.000 1.256 142 P CA -0.406 62.792 63.100 0.164 0.000 0.795 142 P CB 0.843 32.616 31.700 0.121 0.000 1.038 143 S N -0.251 115.521 115.700 0.119 0.000 2.359 143 S HA -0.136 4.334 4.470 0.001 0.000 0.224 143 S C 1.784 176.329 174.600 -0.092 0.000 1.035 143 S CA 1.654 59.814 58.200 -0.067 0.000 1.018 143 S CB -0.587 62.442 63.200 -0.286 0.000 0.876 143 S HN 0.243 nan 8.310 nan 0.000 0.448 144 V N 1.711 121.580 119.914 -0.074 0.000 2.261 144 V HA -0.166 3.954 4.120 0.001 0.000 0.246 144 V C 2.342 178.411 176.094 -0.041 0.000 1.047 144 V CA 2.264 64.515 62.300 -0.082 0.000 1.015 144 V CB -0.848 30.947 31.823 -0.047 0.000 0.642 144 V HN 0.554 nan 8.190 nan 0.000 0.446 145 E N 0.315 120.509 120.200 -0.010 0.000 2.204 145 E HA -0.137 4.213 4.350 0.001 0.000 0.195 145 E C 2.121 178.723 176.600 0.005 0.000 0.990 145 E CA 1.184 57.586 56.400 0.004 0.000 0.821 145 E CB -0.301 29.407 29.700 0.013 0.000 0.750 145 E HN 0.614 nan 8.360 nan 0.000 0.477 146 A N 1.143 123.964 122.820 0.001 0.000 2.072 146 A HA -0.046 4.275 4.320 0.001 0.000 0.216 146 A C 1.858 179.443 177.584 0.003 0.000 1.156 146 A CA 0.268 52.309 52.037 0.007 0.000 0.701 146 A CB -0.086 18.924 19.000 0.016 0.000 0.816 146 A HN 0.038 nan 8.150 nan 0.000 0.458 147 R N 0.046 120.535 120.500 -0.017 0.000 2.112 147 R HA -0.185 4.155 4.340 0.001 0.000 0.242 147 R C 1.921 178.251 176.300 0.049 0.000 1.137 147 R CA 1.621 57.722 56.100 0.002 0.000 0.944 147 R CB -0.482 29.786 30.300 -0.053 0.000 0.857 147 R HN 0.522 nan 8.270 nan 0.000 0.435 148 E N 0.820 121.044 120.200 0.040 0.000 2.058 148 E HA -0.198 4.152 4.350 0.001 0.000 0.194 148 E C 2.059 178.675 176.600 0.026 0.000 0.997 148 E CA 1.057 57.480 56.400 0.039 0.000 0.801 148 E CB -0.204 29.516 29.700 0.034 0.000 0.746 148 E HN 0.093 nan 8.360 nan 0.000 0.450 149 L N 0.880 122.115 121.223 0.020 0.000 2.017 149 L HA -0.175 4.165 4.340 0.001 0.000 0.208 149 L C 2.488 179.365 176.870 0.010 0.000 1.073 149 L CA 1.328 56.177 54.840 0.015 0.000 0.745 149 L CB -0.838 41.230 42.059 0.014 0.000 0.894 149 L HN 0.143 nan 8.230 nan 0.000 0.432 150 L N -0.254 120.975 121.223 0.010 0.000 2.042 150 L HA -0.245 4.095 4.340 0.001 0.000 0.210 150 L C 2.208 179.063 176.870 -0.024 0.000 1.076 150 L CA 2.269 57.109 54.840 -0.000 0.000 0.749 150 L CB -0.956 41.110 42.059 0.011 0.000 0.893 150 L HN 0.505 nan 8.230 nan 0.000 0.432 151 D N -1.156 119.237 120.400 -0.013 0.000 2.097 151 D HA -0.180 4.460 4.640 0.001 0.000 0.195 151 D C 2.152 178.424 176.300 -0.047 0.000 0.989 151 D CA 1.679 55.650 54.000 -0.048 0.000 0.827 151 D CB -0.169 40.621 40.800 -0.016 0.000 0.966 151 D HN 0.190 nan 8.370 nan 0.000 0.456 152 V N 0.325 120.232 119.914 -0.012 0.000 2.392 152 V HA -0.263 3.857 4.120 0.001 0.000 0.249 152 V C 2.562 178.668 176.094 0.019 0.000 1.059 152 V CA 1.985 64.289 62.300 0.007 0.000 1.051 152 V CB -0.555 31.277 31.823 0.016 0.000 0.658 152 V HN 0.322 nan 8.190 nan 0.000 0.455 153 Q N -0.700 119.107 119.800 0.012 0.000 2.119 153 Q HA -0.124 4.216 4.340 0.001 0.000 0.201 153 Q C 2.272 178.298 176.000 0.044 0.000 0.972 153 Q CA 1.403 57.224 55.803 0.030 0.000 0.847 153 Q CB -0.174 28.575 28.738 0.019 0.000 0.903 153 Q HN 0.560 nan 8.270 nan 0.000 0.433 154 L N 0.283 121.488 121.223 -0.029 0.000 2.093 154 L HA -0.200 4.140 4.340 0.001 0.000 0.208 154 L C 2.390 179.330 176.870 0.117 0.000 1.085 154 L CA 1.095 55.886 54.840 -0.081 0.000 0.755 154 L CB -0.473 41.260 42.059 -0.544 0.000 0.904 154 L HN 0.289 nan 8.230 nan 0.000 0.435 155 Q N 0.154 119.998 119.800 0.074 0.000 2.061 155 Q HA -0.224 4.116 4.340 0.001 0.000 0.204 155 Q C 2.464 178.593 176.000 0.215 0.000 0.984 155 Q CA 1.874 57.776 55.803 0.165 0.000 0.846 155 Q CB -0.320 28.469 28.738 0.084 0.000 0.902 155 Q HN 0.563 nan 8.270 nan 0.000 0.421 156 A N 0.894 123.805 122.820 0.151 0.000 1.933 156 A HA -0.105 4.215 4.320 0.001 0.000 0.218 156 A C 2.261 179.962 177.584 0.195 0.000 1.175 156 A CA 1.558 53.679 52.037 0.140 0.000 0.628 156 A CB -0.707 18.356 19.000 0.105 0.000 0.814 156 A HN 0.408 nan 8.150 nan 0.000 0.444 157 A N -1.648 121.323 122.820 0.252 0.000 1.930 157 A HA -0.046 4.275 4.320 0.001 0.000 0.217 157 A C 2.130 179.922 177.584 0.348 0.000 1.175 157 A CA 1.567 53.793 52.037 0.316 0.000 0.627 157 A CB -0.705 18.488 19.000 0.322 0.000 0.815 157 A HN 0.702 nan 8.150 nan 0.000 0.443 158 Y N 1.355 121.825 120.300 0.283 0.000 2.184 158 Y HA -0.162 4.388 4.550 0.001 0.000 0.290 158 Y C 2.158 178.130 175.900 0.119 0.000 1.129 158 Y CA 1.985 60.206 58.100 0.202 0.000 1.144 158 Y CB -0.221 38.397 38.460 0.263 0.000 0.995 158 Y HN 0.307 nan 8.280 nan 0.000 0.513 159 N N 0.466 119.195 118.700 0.048 0.000 2.166 159 N HA -0.165 4.576 4.740 0.001 0.000 0.186 159 N C 1.235 176.652 175.510 -0.155 0.000 1.019 159 N CA 1.698 54.700 53.050 -0.080 0.000 0.856 159 N CB -0.352 38.162 38.487 0.046 0.000 0.993 159 N HN 0.501 nan 8.380 nan 0.000 0.426 160 D N -1.090 119.245 120.400 -0.109 0.000 2.216 160 D HA 0.008 4.649 4.640 0.001 0.000 0.208 160 D C 0.743 176.746 176.300 -0.495 0.000 0.960 160 D CA 0.858 54.686 54.000 -0.288 0.000 0.861 160 D CB 0.106 40.771 40.800 -0.226 0.000 0.985 160 D HN 0.357 nan 8.370 nan 0.000 0.493 161 Y N -0.840 119.450 120.300 -0.017 0.000 2.563 161 Y HA 0.301 4.851 4.550 0.001 0.000 0.250 161 Y C 1.318 177.257 175.900 0.065 0.000 1.126 161 Y CA -0.078 58.059 58.100 0.062 0.000 1.231 161 Y CB 1.341 39.836 38.460 0.059 0.000 1.288 161 Y HN -0.048 nan 8.280 nan 0.000 0.537 162 G N 1.296 110.070 108.800 -0.043 0.000 2.249 162 G HA2 -0.272 3.688 3.960 0.001 0.000 0.273 162 G HA3 -0.272 3.688 3.960 0.001 0.000 0.273 162 G C -0.260 174.646 174.900 0.010 0.000 1.036 162 G CA 0.364 45.357 45.100 -0.178 0.000 0.824 162 G HN 0.133 nan 8.290 nan 0.000 0.504 163 V N 1.056 121.045 119.914 0.125 0.000 2.432 163 V HA 0.551 4.672 4.120 0.001 0.000 0.271 163 V C 1.125 177.167 176.094 -0.087 0.000 1.046 163 V CA 0.669 63.021 62.300 0.087 0.000 0.945 163 V CB 1.555 33.481 31.823 0.172 0.000 0.992 163 V HN 0.935 nan 8.190 nan 0.000 0.471 164 S N 1.539 117.027 115.700 -0.353 0.000 2.846 164 S HA 0.279 4.750 4.470 0.001 0.000 0.249 164 S C 0.189 174.272 174.600 -0.862 0.000 1.028 164 S CA -0.053 57.513 58.200 -1.057 0.000 1.043 164 S CB 0.344 63.249 63.200 -0.491 0.000 0.990 164 S HN 0.783 nan 8.310 nan 0.000 0.564 165 S N 0.015 115.534 115.700 -0.302 0.000 2.541 165 S HA 0.886 5.356 4.470 0.001 0.000 0.280 165 S C -0.679 174.091 174.600 0.284 0.000 1.112 165 S CA -0.654 57.612 58.200 0.110 0.000 0.925 165 S CB 1.842 65.209 63.200 0.280 0.000 1.067 165 S HN 0.168 nan 8.310 nan 0.000 0.479 169 F N 1.558 121.624 119.950 0.193 0.000 2.495 169 F HA 0.552 5.080 4.527 0.001 0.000 0.327 169 F C 0.766 176.643 175.800 0.128 0.000 1.103 169 F CA -0.573 57.527 58.000 0.167 0.000 0.949 169 F CB 1.590 40.681 39.000 0.152 0.000 1.142 169 F HN 0.542 nan 8.300 nan 0.000 0.457 170 M N 0.699 120.453 119.600 0.258 0.000 2.371 170 M HA 0.146 4.627 4.480 0.001 0.000 0.246 170 M C 0.309 176.675 176.300 0.111 0.000 1.103 170 M CA 0.339 55.749 55.300 0.183 0.000 1.010 170 M CB 0.547 33.253 32.600 0.178 0.000 1.457 170 M HN 0.670 nan 8.290 nan 0.000 0.486 171 T N -1.156 113.429 114.554 0.052 0.000 2.716 171 T HA 0.533 4.884 4.350 0.001 0.000 0.286 171 T C -1.709 172.972 174.700 -0.031 0.000 1.052 171 T CA -0.168 61.888 62.100 -0.074 0.000 1.024 171 T CB 1.005 69.726 68.868 -0.245 0.000 1.349 171 T HN 0.286 nan 8.240 nan 0.000 0.525 172 Y N -0.642 119.620 120.300 -0.064 0.000 2.605 172 Y HA -0.093 4.457 4.550 0.001 0.000 0.025 172 Y C -2.600 173.235 175.900 -0.108 0.000 1.812 172 Y CA -0.764 57.266 58.100 -0.116 0.000 1.350 172 Y CB -1.076 37.239 38.460 -0.242 0.000 2.002 172 Y HN 0.503 nan 8.280 nan 0.000 0.268 173 P HA 0.250 nan 4.420 nan 0.000 0.267 173 P C 0.885 178.156 177.300 -0.048 0.000 1.205 173 P CA 1.810 64.918 63.100 0.013 0.000 0.765 173 P CB 0.865 32.567 31.700 0.003 0.000 0.828 174 G N 2.223 110.991 108.800 -0.053 0.000 2.234 174 G HA2 -0.263 3.698 3.960 0.001 0.000 0.235 174 G HA3 -0.263 3.698 3.960 0.001 0.000 0.235 174 G C 0.566 175.338 174.900 -0.214 0.000 0.997 174 G CA 0.221 45.239 45.100 -0.136 0.000 0.623 174 G HN 0.485 nan 8.290 nan 0.000 0.514 175 L N 0.125 121.258 121.223 -0.150 0.000 2.653 175 L HA 0.358 4.699 4.340 0.001 0.000 0.230 175 L C 1.371 178.324 176.870 0.139 0.000 1.055 175 L CA 0.240 55.008 54.840 -0.121 0.000 0.880 175 L CB 0.073 41.833 42.059 -0.499 0.000 1.195 175 L HN 0.329 nan 8.230 nan 0.000 0.492 176 Q N 2.869 122.747 119.800 0.130 0.000 2.269 176 Q HA 0.122 4.463 4.340 0.001 0.000 0.300 176 Q C -0.613 175.492 176.000 0.175 0.000 1.070 176 Q CA 0.285 56.188 55.803 0.166 0.000 0.957 176 Q CB 0.447 29.250 28.738 0.108 0.000 1.131 176 Q HN 0.395 nan 8.270 nan 0.000 0.377 177 I N 0.609 121.297 120.570 0.197 0.000 2.740 177 I HA 0.550 4.720 4.170 0.001 0.000 0.303 177 I C -0.042 176.167 176.117 0.153 0.000 1.044 177 I CA -1.106 60.301 61.300 0.178 0.000 1.064 177 I CB 1.991 40.109 38.000 0.198 0.000 1.249 177 I HN 0.605 nan 8.210 nan 0.000 0.433 178 S N 2.010 117.795 115.700 0.143 0.000 2.589 178 S HA 0.107 4.578 4.470 0.001 0.000 0.265 178 S C 0.534 175.225 174.600 0.153 0.000 1.342 178 S CA -0.131 58.150 58.200 0.136 0.000 1.005 178 S CB 0.827 64.105 63.200 0.130 0.000 0.909 178 S HN 0.737 nan 8.310 nan 0.000 0.555 179 D N 0.328 120.813 120.400 0.141 0.000 2.123 179 D HA -0.128 4.512 4.640 0.001 0.000 0.196 179 D C 1.476 177.864 176.300 0.146 0.000 0.992 179 D CA 1.685 55.762 54.000 0.129 0.000 0.833 179 D CB -0.604 40.260 40.800 0.107 0.000 0.954 179 D HN 0.772 nan 8.370 nan 0.000 0.455 180 Y N 1.930 122.254 120.300 0.039 0.000 2.081 180 Y HA -0.267 4.283 4.550 0.001 0.000 0.280 180 Y C 1.800 177.723 175.900 0.039 0.000 1.163 180 Y CA 1.996 60.113 58.100 0.028 0.000 1.135 180 Y CB -0.051 38.420 38.460 0.017 0.000 0.970 180 Y HN -0.140 nan 8.280 nan 0.000 0.498 181 D N 0.124 120.677 120.400 0.255 0.000 2.178 181 D HA -0.168 4.473 4.640 0.001 0.000 0.202 181 D C 2.254 178.610 176.300 0.092 0.000 0.974 181 D CA 1.615 55.712 54.000 0.162 0.000 0.841 181 D CB -0.329 40.584 40.800 0.189 0.000 0.953 181 D HN 0.482 nan 8.370 nan 0.000 0.478 182 I N 0.401 121.032 120.570 0.102 0.000 2.226 182 I HA -0.272 3.898 4.170 0.001 0.000 0.245 182 I C 2.429 178.585 176.117 0.065 0.000 1.100 182 I CA 0.912 62.266 61.300 0.091 0.000 1.374 182 I CB -0.184 37.876 38.000 0.100 0.000 1.057 182 I HN -0.037 nan 8.210 nan 0.000 0.413 183 M N -0.185 119.434 119.600 0.031 0.000 2.117 183 M HA -0.196 4.284 4.480 0.001 0.000 0.262 183 M C 2.526 178.850 176.300 0.040 0.000 1.065 183 M CA 1.673 56.986 55.300 0.022 0.000 1.114 183 M CB -0.477 32.090 32.600 -0.055 0.000 1.361 183 M HN 0.131 nan 8.290 nan 0.000 0.408 184 S N 0.779 116.453 115.700 -0.043 0.000 2.365 184 S HA -0.173 4.297 4.470 0.001 0.000 0.225 184 S C 2.133 176.786 174.600 0.088 0.000 1.039 184 S CA 1.539 59.729 58.200 -0.017 0.000 1.033 184 S CB -0.520 62.643 63.200 -0.062 0.000 0.887 184 S HN 0.582 nan 8.310 nan 0.000 0.447 185 A N 1.441 124.307 122.820 0.077 0.000 1.877 185 A HA -0.055 4.266 4.320 0.001 0.000 0.216 185 A C 2.171 179.812 177.584 0.096 0.000 1.186 185 A CA 1.569 53.654 52.037 0.079 0.000 0.620 185 A CB -0.663 18.383 19.000 0.077 0.000 0.822 185 A HN 0.473 nan 8.150 nan 0.000 0.443 186 M N -2.267 117.399 119.600 0.111 0.000 2.202 186 M HA -0.176 4.304 4.480 0.001 0.000 0.262 186 M C 2.174 178.572 176.300 0.164 0.000 1.063 186 M CA 1.905 57.275 55.300 0.116 0.000 1.097 186 M CB -0.463 32.205 32.600 0.112 0.000 1.382 186 M HN 0.634 nan 8.290 nan 0.000 0.413 187 Y N 0.673 121.035 120.300 0.103 0.000 2.145 187 Y HA -0.264 4.286 4.550 0.001 0.000 0.286 187 Y C 2.387 178.350 175.900 0.104 0.000 1.145 187 Y CA 1.922 60.121 58.100 0.166 0.000 1.148 187 Y CB -0.234 38.324 38.460 0.163 0.000 0.981 187 Y HN 0.175 nan 8.280 nan 0.000 0.507 188 A N -0.642 122.294 122.820 0.193 0.000 1.897 188 A HA -0.161 4.160 4.320 0.001 0.000 0.215 188 A C 2.290 179.792 177.584 -0.137 0.000 1.181 188 A CA 2.248 54.292 52.037 0.012 0.000 0.620 188 A CB -1.480 17.522 19.000 0.003 0.000 0.821 188 A HN 0.592 nan 8.150 nan 0.000 0.443 189 T N -2.165 112.334 114.554 -0.090 0.000 2.777 189 T HA -0.154 4.196 4.350 0.001 0.000 0.266 189 T C 2.023 176.709 174.700 -0.023 0.000 1.040 189 T CA 1.275 63.315 62.100 -0.099 0.000 1.141 189 T CB -0.385 68.501 68.868 0.030 0.000 0.868 189 T HN 0.457 nan 8.240 nan 0.000 0.444 190 R N 1.393 121.890 120.500 -0.005 0.000 2.080 190 R HA -0.117 4.223 4.340 0.001 0.000 0.236 190 R C 2.663 178.946 176.300 -0.029 0.000 1.137 190 R CA 1.847 57.955 56.100 0.013 0.000 0.943 190 R CB -0.340 29.991 30.300 0.053 0.000 0.846 190 R HN 0.472 nan 8.270 nan 0.000 0.431 191 K N -0.089 120.219 120.400 -0.152 0.000 2.152 191 K HA -0.118 4.203 4.320 0.001 0.000 0.206 191 K C 0.989 177.429 176.600 -0.267 0.000 1.048 191 K CA 1.599 57.640 56.287 -0.410 0.000 0.933 191 K CB 0.029 32.059 32.500 -0.783 0.000 0.721 191 K HN 0.277 nan 8.250 nan 0.000 0.447 192 N N -0.419 118.175 118.700 -0.176 0.000 2.230 192 N HA 0.028 4.769 4.740 0.001 0.000 0.202 192 N C 0.257 175.810 175.510 0.073 0.000 1.119 192 N CA 0.790 53.787 53.050 -0.089 0.000 0.851 192 N CB 1.175 39.542 38.487 -0.201 0.000 0.990 192 N HN 0.389 nan 8.380 nan 0.000 0.497 193 G N 1.373 110.207 108.800 0.057 0.000 2.225 193 G HA2 -0.304 3.657 3.960 0.001 0.000 0.267 193 G HA3 -0.304 3.657 3.960 0.001 0.000 0.267 193 G C 0.065 175.057 174.900 0.153 0.000 1.024 193 G CA 0.017 45.159 45.100 0.072 0.000 0.784 193 G HN 0.337 nan 8.290 nan 0.000 0.507 194 F N 0.136 120.050 119.950 -0.060 0.000 2.440 194 F HA 0.393 4.921 4.527 0.001 0.000 0.323 194 F C 1.424 177.231 175.800 0.011 0.000 1.192 194 F CA 0.121 58.112 58.000 -0.015 0.000 1.252 194 F CB 0.843 39.852 39.000 0.015 0.000 1.214 194 F HN 0.009 nan 8.300 nan 0.000 0.578 195 T N 1.313 115.957 114.554 0.150 0.000 2.733 195 T HA 0.203 4.554 4.350 0.001 0.000 0.294 195 T C -0.297 174.505 174.700 0.169 0.000 0.956 195 T CA -0.568 61.605 62.100 0.121 0.000 0.987 195 T CB 0.566 69.500 68.868 0.111 0.000 0.920 195 T HN 0.412 nan 8.240 nan 0.000 0.470 196 T N 5.643 120.262 114.554 0.108 0.000 2.744 196 T HA 0.501 4.852 4.350 0.001 0.000 0.291 196 T C 0.107 174.807 174.700 -0.001 0.000 0.957 196 T CA -0.545 61.599 62.100 0.073 0.000 1.002 196 T CB 0.347 69.235 68.868 0.034 0.000 0.919 196 T HN 0.432 nan 8.240 nan 0.000 0.468 197 M N 3.807 123.409 119.600 0.003 0.000 2.383 197 M HA 0.560 5.040 4.480 0.001 0.000 0.325 197 M C -0.930 175.315 176.300 -0.092 0.000 1.092 197 M CA -0.634 54.632 55.300 -0.056 0.000 0.961 197 M CB 1.857 34.433 32.600 -0.040 0.000 1.672 197 M HN 0.306 nan 8.290 nan 0.000 0.438 198 L N 1.530 122.671 121.223 -0.136 0.000 2.408 198 L HA 0.445 4.785 4.340 0.001 0.000 0.268 198 L C -0.812 176.098 176.870 0.067 0.000 0.986 198 L CA -0.721 54.092 54.840 -0.046 0.000 0.820 198 L CB 2.224 44.272 42.059 -0.019 0.000 1.303 198 L HN 0.720 nan 8.230 nan 0.000 0.411 199 H N 3.103 122.122 119.070 -0.086 0.000 2.761 199 H HA 0.522 5.078 4.556 0.001 0.000 0.284 199 H C -0.352 175.087 175.328 0.184 0.000 1.105 199 H CA -0.609 55.475 56.048 0.061 0.000 1.352 199 H CB 1.128 30.906 29.762 0.026 0.000 1.423 199 H HN 0.658 nan 8.280 nan 0.000 0.464 200 A N 5.775 128.862 122.820 0.444 0.000 2.690 200 A HA 0.264 4.584 4.320 0.001 0.000 0.342 200 A C -0.409 177.324 177.584 0.248 0.000 1.410 200 A CA -0.580 51.656 52.037 0.331 0.000 0.958 200 A CB 0.101 19.263 19.000 0.270 0.000 1.153 200 A HN 0.870 nan 8.150 nan 0.000 0.497 201 E N 1.096 121.472 120.200 0.292 0.000 2.266 201 E HA 0.175 4.525 4.350 0.001 0.000 0.268 201 E C -0.831 175.818 176.600 0.081 0.000 0.879 201 E CA -0.991 55.494 56.400 0.142 0.000 0.762 201 E CB 1.578 31.366 29.700 0.148 0.000 1.199 201 E HN 0.574 nan 8.360 nan 0.000 0.422 202 N N 1.844 120.567 118.700 0.039 0.000 2.400 202 N HA 0.012 4.752 4.740 0.001 0.000 0.267 202 N C 0.781 176.303 175.510 0.019 0.000 1.208 202 N CA 0.210 53.278 53.050 0.030 0.000 0.951 202 N CB 1.069 39.564 38.487 0.014 0.000 1.227 202 N HN 0.750 nan 8.380 nan 0.000 0.488 203 G N 3.199 112.013 108.800 0.024 0.000 2.422 203 G HA2 -0.254 3.707 3.960 0.001 0.000 0.218 203 G HA3 -0.254 3.707 3.960 0.001 0.000 0.218 203 G C 1.028 175.947 174.900 0.032 0.000 1.146 203 G CA 0.490 45.596 45.100 0.011 0.000 0.769 203 G HN 0.527 nan 8.290 nan 0.000 0.547 204 D N 0.295 120.722 120.400 0.045 0.000 2.117 204 D HA -0.044 4.597 4.640 0.001 0.000 0.198 204 D C 2.668 179.020 176.300 0.088 0.000 0.982 204 D CA 0.812 54.851 54.000 0.065 0.000 0.828 204 D CB -0.202 40.628 40.800 0.050 0.000 0.967 204 D HN 0.293 nan 8.370 nan 0.000 0.464 205 M N -0.202 119.427 119.600 0.049 0.000 2.132 205 M HA -0.122 4.359 4.480 0.001 0.000 0.263 205 M C 2.192 178.547 176.300 0.091 0.000 1.065 205 M CA 0.755 56.084 55.300 0.049 0.000 1.122 205 M CB -0.136 32.462 32.600 -0.004 0.000 1.365 205 M HN -0.079 nan 8.290 nan 0.000 0.411 206 V N 0.807 120.752 119.914 0.052 0.000 2.255 206 V HA -0.323 3.798 4.120 0.001 0.000 0.247 206 V C 2.374 178.515 176.094 0.078 0.000 1.051 206 V CA 2.192 64.516 62.300 0.040 0.000 1.018 206 V CB -0.782 31.032 31.823 -0.014 0.000 0.641 206 V HN 0.470 nan 8.190 nan 0.000 0.445 207 K N -1.346 119.099 120.400 0.075 0.000 2.032 207 K HA -0.282 4.039 4.320 0.001 0.000 0.209 207 K C 2.025 178.686 176.600 0.103 0.000 1.048 207 K CA 2.319 58.645 56.287 0.066 0.000 0.927 207 K CB -0.365 32.171 32.500 0.059 0.000 0.712 207 K HN 0.549 nan 8.250 nan 0.000 0.441 208 W N 0.548 121.840 121.300 -0.014 0.000 2.355 208 W HA -0.207 4.453 4.660 0.001 0.000 0.309 208 W C 2.154 178.668 176.519 -0.007 0.000 1.206 208 W CA 1.530 58.868 57.345 -0.012 0.000 1.284 208 W CB -0.148 29.305 29.460 -0.011 0.000 1.145 208 W HN 0.134 nan 8.180 nan 0.000 0.502 209 M N 0.208 120.047 119.600 0.398 0.000 2.175 209 M HA -0.111 4.369 4.480 0.001 0.000 0.264 209 M C 1.789 178.169 176.300 0.133 0.000 1.063 209 M CA 1.697 57.172 55.300 0.291 0.000 1.119 209 M CB -0.847 31.883 32.600 0.216 0.000 1.377 209 M HN 0.078 nan 8.290 nan 0.000 0.415 210 I N -0.415 120.222 120.570 0.112 0.000 2.179 210 I HA -0.319 3.851 4.170 0.001 0.000 0.242 210 I C 2.028 178.122 176.117 -0.038 0.000 1.088 210 I CA 1.507 62.872 61.300 0.109 0.000 1.357 210 I CB -0.514 37.506 38.000 0.033 0.000 1.051 210 I HN 0.348 nan 8.210 nan 0.000 0.409 211 E N 0.814 120.937 120.200 -0.130 0.000 2.110 211 E HA -0.208 4.143 4.350 0.001 0.000 0.193 211 E C 2.325 178.769 176.600 -0.260 0.000 0.988 211 E CA 1.273 57.538 56.400 -0.226 0.000 0.804 211 E CB -0.189 29.323 29.700 -0.312 0.000 0.745 211 E HN 0.518 nan 8.360 nan 0.000 0.458 212 A N 0.885 123.523 122.820 -0.304 0.000 1.933 212 A HA -0.149 4.171 4.320 0.001 0.000 0.218 212 A C 2.143 179.661 177.584 -0.109 0.000 1.175 212 A CA 1.018 52.901 52.037 -0.256 0.000 0.628 212 A CB -0.497 18.390 19.000 -0.188 0.000 0.814 212 A HN 0.132 nan 8.150 nan 0.000 0.444 213 L N -1.033 120.163 121.223 -0.045 0.000 2.072 213 L HA -0.159 4.181 4.340 0.001 0.000 0.205 213 L C 2.579 179.411 176.870 -0.062 0.000 1.079 213 L CA 1.485 56.305 54.840 -0.034 0.000 0.752 213 L CB -0.542 41.559 42.059 0.070 0.000 0.906 213 L HN 0.435 nan 8.230 nan 0.000 0.436 214 E N -0.069 120.093 120.200 -0.063 0.000 2.118 214 E HA -0.292 4.058 4.350 0.001 0.000 0.195 214 E C 1.976 178.521 176.600 -0.091 0.000 0.992 214 E CA 1.336 57.681 56.400 -0.093 0.000 0.804 214 E CB 0.019 29.633 29.700 -0.144 0.000 0.741 214 E HN 0.335 nan 8.360 nan 0.000 0.458 215 E N 1.168 121.303 120.200 -0.107 0.000 2.153 215 E HA -0.212 4.138 4.350 0.001 0.000 0.194 215 E C 1.446 178.001 176.600 -0.075 0.000 0.988 215 E CA 1.389 57.730 56.400 -0.098 0.000 0.811 215 E CB 0.022 29.648 29.700 -0.124 0.000 0.746 215 E HN 0.254 nan 8.360 nan 0.000 0.466 216 Q N -1.091 118.662 119.800 -0.079 0.000 2.360 216 Q HA 0.204 4.545 4.340 0.001 0.000 0.202 216 Q C 0.742 176.698 176.000 -0.073 0.000 0.915 216 Q CA 0.347 56.108 55.803 -0.070 0.000 0.943 216 Q CB 0.645 29.338 28.738 -0.075 0.000 1.064 216 Q HN 0.441 nan 8.270 nan 0.000 0.511 217 G N 1.350 110.108 108.800 -0.070 0.000 2.143 217 G HA2 -0.266 3.695 3.960 0.001 0.000 0.248 217 G HA3 -0.266 3.695 3.960 0.001 0.000 0.248 217 G C 0.022 174.881 174.900 -0.068 0.000 0.991 217 G CA -0.148 44.923 45.100 -0.049 0.000 0.689 217 G HN 0.318 nan 8.290 nan 0.000 0.522 218 L N 1.878 123.002 121.223 -0.164 0.000 2.389 218 L HA 0.400 4.740 4.340 0.001 0.000 0.265 218 L C 1.561 178.375 176.870 -0.093 0.000 1.167 218 L CA 0.339 54.939 54.840 -0.400 0.000 1.045 218 L CB 0.325 41.820 42.059 -0.941 0.000 1.351 218 L HN 0.354 nan 8.230 nan 0.000 0.419 219 T N -4.489 110.168 114.554 0.170 0.000 3.003 219 T HA 0.127 4.477 4.350 0.001 0.000 0.261 219 T C 0.577 175.586 174.700 0.516 0.000 1.003 219 T CA -0.526 61.784 62.100 0.349 0.000 0.917 219 T CB 0.210 69.155 68.868 0.129 0.000 1.084 219 T HN 0.190 nan 8.240 nan 0.000 0.522 220 D N 1.901 122.607 120.400 0.509 0.000 2.419 220 D HA 0.372 5.012 4.640 0.001 0.000 0.236 220 D C 1.613 178.135 176.300 0.371 0.000 1.165 220 D CA 0.469 54.726 54.000 0.428 0.000 0.882 220 D CB 0.924 41.955 40.800 0.385 0.000 1.201 220 D HN 0.264 nan 8.370 nan 0.000 0.443 221 A N 2.224 125.180 122.820 0.226 0.000 1.958 221 A HA -0.286 4.035 4.320 0.001 0.000 0.221 221 A C 2.008 179.602 177.584 0.016 0.000 1.178 221 A CA 1.562 53.658 52.037 0.099 0.000 0.642 221 A CB -1.023 17.952 19.000 -0.041 0.000 0.816 221 A HN 0.733 nan 8.150 nan 0.000 0.453 222 Y N -0.746 119.470 120.300 -0.141 0.000 2.256 222 Y HA -0.248 4.303 4.550 0.001 0.000 0.288 222 Y C 1.735 177.385 175.900 -0.417 0.000 1.155 222 Y CA 1.707 59.632 58.100 -0.293 0.000 1.203 222 Y CB -0.500 37.713 38.460 -0.412 0.000 0.980 222 Y HN 0.430 nan 8.280 nan 0.000 0.530 223 Y N -1.220 118.854 120.300 -0.378 0.000 2.578 223 Y HA -0.090 4.460 4.550 0.001 0.000 0.297 223 Y C 2.353 177.542 175.900 -1.185 0.000 1.176 223 Y CA 0.903 58.601 58.100 -0.670 0.000 1.315 223 Y CB -0.504 37.744 38.460 -0.353 0.000 1.031 223 Y HN 0.331 nan 8.280 nan 0.000 0.524 224 H N -0.276 118.137 119.070 -1.096 0.000 2.321 224 H HA -0.113 4.444 4.556 0.001 0.000 0.300 224 H C 2.411 177.462 175.328 -0.462 0.000 1.087 224 H CA 1.840 57.389 56.048 -0.831 0.000 1.319 224 H CB -0.486 29.077 29.762 -0.332 0.000 1.379 224 H HN 0.278 nan 8.280 nan 0.000 0.501 225 G N -0.062 108.445 108.800 -0.489 0.000 2.418 225 G HA2 -0.224 3.736 3.960 0.001 0.000 0.217 225 G HA3 -0.224 3.736 3.960 0.001 0.000 0.217 225 G C 1.820 176.479 174.900 -0.402 0.000 1.158 225 G CA 1.204 46.044 45.100 -0.433 0.000 0.771 225 G HN 0.396 nan 8.290 nan 0.000 0.545 226 V N 1.935 121.575 119.914 -0.457 0.000 2.490 226 V HA -0.190 3.931 4.120 0.001 0.000 0.250 226 V C 3.156 179.152 176.094 -0.164 0.000 1.061 226 V CA 2.183 64.323 62.300 -0.266 0.000 1.064 226 V CB -0.473 31.262 31.823 -0.146 0.000 0.670 226 V HN 0.615 nan 8.190 nan 0.000 0.461 227 S N 1.424 116.994 115.700 -0.217 0.000 2.474 227 S HA -0.129 4.341 4.470 0.001 0.000 0.235 227 S C 1.153 175.705 174.600 -0.081 0.000 0.997 227 S CA 0.678 58.826 58.200 -0.086 0.000 0.949 227 S CB -0.180 63.017 63.200 -0.004 0.000 0.766 227 S HN 0.832 nan 8.310 nan 0.000 0.517 228 R N 0.188 120.593 120.500 -0.158 0.000 2.734 228 R HA 0.382 4.722 4.340 0.001 0.000 0.242 228 R C -3.350 172.867 176.300 -0.138 0.000 1.617 228 R CA -1.398 54.621 56.100 -0.135 0.000 1.572 228 R CB -0.008 30.191 30.300 -0.168 0.000 1.477 228 R HN 0.201 nan 8.270 nan 0.000 0.707 229 P HA 0.092 nan 4.420 nan 0.000 0.271 229 P C 0.491 177.742 177.300 -0.082 0.000 1.244 229 P CA -0.190 62.855 63.100 -0.093 0.000 0.793 229 P CB 1.008 32.669 31.700 -0.067 0.000 0.984 230 S N 0.248 115.903 115.700 -0.075 0.000 2.402 230 S HA -0.168 4.303 4.470 0.001 0.000 0.233 230 S C 1.834 176.394 174.600 -0.066 0.000 1.030 230 S CA 0.857 59.012 58.200 -0.074 0.000 1.003 230 S CB -0.896 62.267 63.200 -0.062 0.000 0.813 230 S HN 0.503 nan 8.310 nan 0.000 0.477 231 I N 1.173 121.709 120.570 -0.056 0.000 2.423 231 I HA -0.162 4.009 4.170 0.001 0.000 0.254 231 I C 1.748 177.835 176.117 -0.051 0.000 1.151 231 I CA 0.936 62.205 61.300 -0.051 0.000 1.421 231 I CB 0.004 37.977 38.000 -0.044 0.000 1.079 231 I HN 0.138 nan 8.210 nan 0.000 0.431 232 V N 0.468 120.351 119.914 -0.051 0.000 2.379 232 V HA -0.253 3.867 4.120 0.001 0.000 0.245 232 V C 2.344 178.417 176.094 -0.035 0.000 1.044 232 V CA 2.057 64.332 62.300 -0.041 0.000 1.036 232 V CB -0.561 31.238 31.823 -0.041 0.000 0.664 232 V HN 0.480 nan 8.190 nan 0.000 0.453 233 E N 0.336 120.506 120.200 -0.050 0.000 2.106 233 E HA -0.145 4.206 4.350 0.001 0.000 0.192 233 E C 2.258 178.811 176.600 -0.078 0.000 0.984 233 E CA 1.204 57.573 56.400 -0.053 0.000 0.806 233 E CB -0.343 29.307 29.700 -0.083 0.000 0.750 233 E HN 0.569 nan 8.360 nan 0.000 0.458 234 G N 1.458 110.210 108.800 -0.081 0.000 2.433 234 G HA2 -0.318 3.643 3.960 0.001 0.000 0.216 234 G HA3 -0.318 3.643 3.960 0.001 0.000 0.216 234 G C 1.492 176.345 174.900 -0.080 0.000 1.186 234 G CA 0.813 45.858 45.100 -0.091 0.000 0.779 234 G HN 0.245 nan 8.290 nan 0.000 0.543 235 E N 1.271 121.439 120.200 -0.053 0.000 2.049 235 E HA -0.172 4.179 4.350 0.001 0.000 0.198 235 E C 2.829 179.415 176.600 -0.023 0.000 1.007 235 E CA 1.556 57.934 56.400 -0.036 0.000 0.809 235 E CB -0.562 29.121 29.700 -0.027 0.000 0.749 235 E HN 0.272 nan 8.360 nan 0.000 0.450 236 A N 0.091 122.905 122.820 -0.011 0.000 1.933 236 A HA -0.129 4.192 4.320 0.001 0.000 0.218 236 A C 2.453 180.052 177.584 0.024 0.000 1.175 236 A CA 2.110 54.165 52.037 0.030 0.000 0.628 236 A CB -0.861 18.178 19.000 0.064 0.000 0.814 236 A HN 0.382 nan 8.150 nan 0.000 0.444 237 T N 0.127 114.628 114.554 -0.089 0.000 2.746 237 T HA -0.154 4.197 4.350 0.001 0.000 0.267 237 T C 1.893 176.495 174.700 -0.164 0.000 1.039 237 T CA 1.630 63.551 62.100 -0.299 0.000 1.142 237 T CB -0.433 68.100 68.868 -0.558 0.000 0.866 237 T HN 0.717 nan 8.240 nan 0.000 0.444 238 N N 0.898 119.539 118.700 -0.097 0.000 2.166 238 N HA -0.107 4.633 4.740 0.001 0.000 0.186 238 N C 1.956 177.477 175.510 0.019 0.000 1.019 238 N CA 1.089 54.116 53.050 -0.039 0.000 0.856 238 N CB -0.091 38.372 38.487 -0.040 0.000 0.993 238 N HN 0.286 nan 8.380 nan 0.000 0.426 239 R N -0.269 120.251 120.500 0.033 0.000 2.075 239 R HA -0.006 4.334 4.340 0.001 0.000 0.232 239 R C 1.978 178.338 176.300 0.100 0.000 1.126 239 R CA 1.403 57.538 56.100 0.059 0.000 0.963 239 R CB -0.356 29.979 30.300 0.057 0.000 0.858 239 R HN 0.307 nan 8.270 nan 0.000 0.435 240 A N 0.853 123.770 122.820 0.161 0.000 1.930 240 A HA -0.084 4.236 4.320 0.001 0.000 0.217 240 A C 2.132 179.859 177.584 0.238 0.000 1.175 240 A CA 1.205 53.385 52.037 0.238 0.000 0.627 240 A CB -0.444 18.814 19.000 0.429 0.000 0.815 240 A HN 0.355 nan 8.150 nan 0.000 0.443 241 I N -0.258 120.477 120.570 0.276 0.000 2.163 241 I HA -0.266 3.905 4.170 0.001 0.000 0.243 241 I C 2.623 178.791 176.117 0.085 0.000 1.085 241 I CA 1.857 63.265 61.300 0.181 0.000 1.347 241 I CB -0.775 37.303 38.000 0.130 0.000 1.044 241 I HN 0.265 nan 8.210 nan 0.000 0.408 242 T N 1.589 116.185 114.554 0.070 0.000 2.665 242 T HA -0.200 4.151 4.350 0.001 0.000 0.268 242 T C 1.914 176.646 174.700 0.053 0.000 1.035 242 T CA 1.498 63.627 62.100 0.049 0.000 1.151 242 T CB -0.467 68.426 68.868 0.042 0.000 0.862 242 T HN 0.251 nan 8.240 nan 0.000 0.438 243 L N 0.769 122.031 121.223 0.065 0.000 2.017 243 L HA -0.109 4.232 4.340 0.001 0.000 0.208 243 L C 3.112 180.015 176.870 0.056 0.000 1.073 243 L CA 1.354 56.232 54.840 0.063 0.000 0.745 243 L CB -0.802 41.300 42.059 0.071 0.000 0.894 243 L HN 0.248 nan 8.230 nan 0.000 0.432 244 A N -0.222 122.621 122.820 0.038 0.000 1.933 244 A HA -0.196 4.125 4.320 0.001 0.000 0.218 244 A C 2.372 179.938 177.584 -0.029 0.000 1.175 244 A CA 2.349 54.384 52.037 -0.003 0.000 0.628 244 A CB -0.907 18.073 19.000 -0.035 0.000 0.814 244 A HN 0.439 nan 8.150 nan 0.000 0.444 245 T N -0.516 114.030 114.554 -0.013 0.000 2.701 245 T HA -0.116 4.234 4.350 0.001 0.000 0.263 245 T C 2.005 176.711 174.700 0.010 0.000 1.040 245 T CA 1.862 63.943 62.100 -0.031 0.000 1.147 245 T CB -0.689 68.174 68.868 -0.008 0.000 0.865 245 T HN 0.492 nan 8.240 nan 0.000 0.426 246 T N 2.105 116.704 114.554 0.075 0.000 2.759 246 T HA -0.023 4.328 4.350 0.001 0.000 0.269 246 T C 1.573 176.454 174.700 0.300 0.000 1.042 246 T CA 0.966 63.167 62.100 0.169 0.000 1.140 246 T CB -0.193 68.745 68.868 0.116 0.000 0.864 246 T HN 0.192 nan 8.240 nan 0.000 0.455 247 M N 0.704 120.421 119.600 0.196 0.000 2.428 247 M HA 0.203 4.684 4.480 0.001 0.000 0.239 247 M C 0.543 176.845 176.300 0.002 0.000 1.121 247 M CA 0.074 55.547 55.300 0.289 0.000 1.019 247 M CB -0.862 31.871 32.600 0.221 0.000 1.485 247 M HN 0.146 nan 8.290 nan 0.000 0.484 248 D N 2.163 122.367 120.400 -0.326 0.000 2.692 248 D HA -0.147 4.494 4.640 0.001 0.000 0.233 248 D C -0.950 175.166 176.300 -0.308 0.000 1.172 248 D CA 0.813 54.452 54.000 -0.601 0.000 0.636 248 D CB -0.488 39.404 40.800 -1.513 0.000 1.028 248 D HN 0.213 nan 8.370 nan 0.000 0.419 249 T N 1.429 115.888 114.554 -0.158 0.000 2.786 249 T HA 0.505 4.855 4.350 0.001 0.000 0.283 249 T C -2.428 172.211 174.700 -0.102 0.000 0.992 249 T CA -1.273 60.777 62.100 -0.083 0.000 0.954 249 T CB 1.978 70.839 68.868 -0.011 0.000 0.934 249 T HN -0.063 nan 8.240 nan 0.000 0.440 250 P HA 0.281 nan 4.420 nan 0.000 0.265 250 P C -0.745 176.492 177.300 -0.105 0.000 1.187 250 P CA -0.143 62.889 63.100 -0.113 0.000 0.766 250 P CB 0.520 32.211 31.700 -0.016 0.000 0.820 251 I N 2.950 123.407 120.570 -0.188 0.000 2.656 251 I HA 0.472 4.642 4.170 0.001 0.000 0.292 251 I C -1.616 174.350 176.117 -0.251 0.000 1.144 251 I CA -1.203 59.954 61.300 -0.238 0.000 1.038 251 I CB 1.698 39.492 38.000 -0.343 0.000 1.244 251 I HN 0.151 nan 8.210 nan 0.000 0.420 252 L N 7.188 128.277 121.223 -0.224 0.000 2.333 252 L HA 0.579 4.919 4.340 0.001 0.000 0.280 252 L C -1.544 175.167 176.870 -0.265 0.000 1.004 252 L CA -0.321 54.447 54.840 -0.119 0.000 0.820 252 L CB 1.280 43.353 42.059 0.023 0.000 1.247 252 L HN 0.476 nan 8.230 nan 0.000 0.416 253 F N 5.097 125.087 119.950 0.067 0.000 2.411 253 F HA 0.386 4.914 4.527 0.001 0.000 0.355 253 F C 0.502 176.314 175.800 0.019 0.000 1.117 253 F CA -0.652 57.370 58.000 0.037 0.000 1.139 253 F CB 1.460 40.490 39.000 0.050 0.000 1.120 253 F HN 0.280 nan 8.300 nan 0.000 0.493 254 V N 1.289 121.244 119.914 0.069 0.000 2.834 254 V HA 0.280 4.401 4.120 0.001 0.000 0.301 254 V C -0.027 175.909 176.094 -0.263 0.000 1.066 254 V CA -1.013 61.228 62.300 -0.098 0.000 1.052 254 V CB 0.681 32.394 31.823 -0.184 0.000 1.021 254 V HN 0.975 nan 8.190 nan 0.000 0.480 255 H N 0.586 119.711 119.070 0.092 0.000 2.284 255 H HA -0.133 4.423 4.556 0.001 0.000 0.322 255 H C -0.460 174.750 175.328 -0.197 0.000 0.973 255 H CA 0.306 56.350 56.048 -0.007 0.000 1.076 255 H CB -2.732 27.062 29.762 0.054 0.000 1.596 255 H HN 0.680 nan 8.280 nan 0.000 0.361 256 V N 1.133 121.022 119.914 -0.042 0.000 2.572 256 V HA 0.262 4.382 4.120 0.001 0.000 0.291 256 V C 1.375 177.254 176.094 -0.359 0.000 1.039 256 V CA 0.674 62.913 62.300 -0.102 0.000 1.055 256 V CB 1.385 33.305 31.823 0.161 0.000 0.969 256 V HN 0.939 nan 8.190 nan 0.000 0.482 257 S N 1.309 116.763 115.700 -0.409 0.000 2.744 257 S HA 0.140 4.611 4.470 0.001 0.000 0.265 257 S C 0.609 175.075 174.600 -0.224 0.000 1.065 257 S CA 0.256 58.147 58.200 -0.516 0.000 1.191 257 S CB 0.479 63.055 63.200 -1.039 0.000 1.150 257 S HN 0.685 nan 8.310 nan 0.000 0.646 258 S N 2.466 118.077 115.700 -0.148 0.000 2.442 258 S HA 0.567 5.038 4.470 0.001 0.000 0.297 258 S C -2.008 172.568 174.600 -0.039 0.000 1.131 258 S CA -1.498 56.648 58.200 -0.092 0.000 1.092 258 S CB 1.272 64.410 63.200 -0.104 0.000 0.998 258 S HN 0.029 nan 8.310 nan 0.000 0.478 259 P HA -0.094 nan 4.420 nan 0.000 0.216 259 P C 1.031 178.313 177.300 -0.031 0.000 1.150 259 P CA 1.123 64.219 63.100 -0.008 0.000 0.837 259 P CB 0.137 31.835 31.700 -0.003 0.000 0.786 260 Q N -0.630 119.143 119.800 -0.045 0.000 2.119 260 Q HA -0.048 4.292 4.340 0.001 0.000 0.201 260 Q C 2.257 178.209 176.000 -0.082 0.000 0.972 260 Q CA 1.780 57.549 55.803 -0.057 0.000 0.847 260 Q CB -1.203 27.501 28.738 -0.057 0.000 0.903 260 Q HN 0.176 nan 8.270 nan 0.000 0.433 261 A N 0.730 123.492 122.820 -0.097 0.000 1.873 261 A HA -0.076 4.244 4.320 0.001 0.000 0.215 261 A C 2.286 179.789 177.584 -0.135 0.000 1.186 261 A CA 1.624 53.572 52.037 -0.149 0.000 0.616 261 A CB -1.094 17.809 19.000 -0.162 0.000 0.823 261 A HN 0.377 nan 8.150 nan 0.000 0.442 262 A N -0.345 122.433 122.820 -0.070 0.000 1.940 262 A HA -0.209 4.111 4.320 0.001 0.000 0.219 262 A C 1.922 179.436 177.584 -0.117 0.000 1.176 262 A CA 1.811 53.794 52.037 -0.091 0.000 0.631 262 A CB -0.549 18.426 19.000 -0.041 0.000 0.814 262 A HN 0.662 nan 8.150 nan 0.000 0.446 263 E N -0.413 119.735 120.200 -0.086 0.000 2.031 263 E HA -0.168 4.183 4.350 0.001 0.000 0.193 263 E C 2.145 178.697 176.600 -0.081 0.000 0.994 263 E CA 1.909 58.264 56.400 -0.075 0.000 0.800 263 E CB -0.355 29.311 29.700 -0.057 0.000 0.752 263 E HN 0.636 nan 8.360 nan 0.000 0.447 264 V N -0.671 119.189 119.914 -0.090 0.000 2.515 264 V HA -0.186 3.935 4.120 0.001 0.000 0.250 264 V C 2.124 178.165 176.094 -0.088 0.000 1.058 264 V CA 1.265 63.514 62.300 -0.086 0.000 1.064 264 V CB -0.638 31.130 31.823 -0.091 0.000 0.675 264 V HN 0.181 nan 8.190 nan 0.000 0.461 265 I N 0.488 120.988 120.570 -0.116 0.000 2.179 265 I HA -0.191 3.980 4.170 0.001 0.000 0.242 265 I C 2.671 178.739 176.117 -0.082 0.000 1.088 265 I CA 2.142 63.391 61.300 -0.085 0.000 1.357 265 I CB -0.413 37.532 38.000 -0.092 0.000 1.051 265 I HN 0.321 nan 8.210 nan 0.000 0.409 266 K N 1.297 121.633 120.400 -0.107 0.000 2.032 266 K HA -0.232 4.089 4.320 0.001 0.000 0.209 266 K C 2.072 178.630 176.600 -0.070 0.000 1.048 266 K CA 1.759 57.987 56.287 -0.099 0.000 0.927 266 K CB -0.317 32.118 32.500 -0.107 0.000 0.712 266 K HN 0.304 nan 8.250 nan 0.000 0.441 267 Q N -0.647 119.116 119.800 -0.062 0.000 2.135 267 Q HA -0.107 4.234 4.340 0.001 0.000 0.204 267 Q C 2.074 178.047 176.000 -0.045 0.000 0.981 267 Q CA 1.663 57.438 55.803 -0.048 0.000 0.856 267 Q CB -0.251 28.462 28.738 -0.042 0.000 0.902 267 Q HN 0.475 nan 8.270 nan 0.000 0.425 268 A N 0.791 123.583 122.820 -0.047 0.000 1.898 268 A HA -0.244 4.076 4.320 0.001 0.000 0.216 268 A C 1.945 179.491 177.584 -0.063 0.000 1.181 268 A CA 1.421 53.429 52.037 -0.047 0.000 0.620 268 A CB -0.429 18.552 19.000 -0.033 0.000 0.819 268 A HN 0.340 nan 8.150 nan 0.000 0.442 269 Q N -0.871 118.889 119.800 -0.067 0.000 2.124 269 Q HA -0.124 4.216 4.340 0.001 0.000 0.202 269 Q C 2.140 178.107 176.000 -0.055 0.000 0.977 269 Q CA 1.912 57.673 55.803 -0.071 0.000 0.850 269 Q CB -0.399 28.299 28.738 -0.066 0.000 0.901 269 Q HN 0.663 nan 8.270 nan 0.000 0.429 270 T N 0.996 115.521 114.554 -0.049 0.000 2.788 270 T HA -0.132 4.219 4.350 0.001 0.000 0.268 270 T C 1.504 176.183 174.700 -0.036 0.000 1.044 270 T CA 1.154 63.231 62.100 -0.039 0.000 1.139 270 T CB -0.077 68.769 68.868 -0.036 0.000 0.867 270 T HN 0.200 nan 8.240 nan 0.000 0.454 271 K N 0.135 120.511 120.400 -0.040 0.000 2.362 271 K HA 0.090 4.410 4.320 0.001 0.000 0.200 271 K C 1.603 178.176 176.600 -0.045 0.000 1.046 271 K CA 0.614 56.877 56.287 -0.039 0.000 0.952 271 K CB -0.061 32.415 32.500 -0.039 0.000 0.753 271 K HN 0.456 nan 8.250 nan 0.000 0.466 272 G N 0.872 109.639 108.800 -0.054 0.000 2.157 272 G HA2 -0.247 3.714 3.960 0.001 0.000 0.239 272 G HA3 -0.247 3.714 3.960 0.001 0.000 0.239 272 G C 0.038 174.885 174.900 -0.088 0.000 0.982 272 G CA -0.253 44.811 45.100 -0.060 0.000 0.650 272 G HN 0.118 nan 8.290 nan 0.000 0.527 273 L N 0.282 121.444 121.223 -0.101 0.000 2.461 273 L HA 0.259 4.600 4.340 0.001 0.000 0.272 273 L C 1.154 177.901 176.870 -0.205 0.000 1.197 273 L CA 0.130 54.888 54.840 -0.137 0.000 0.836 273 L CB 0.433 42.423 42.059 -0.115 0.000 1.105 273 L HN 0.022 nan 8.230 nan 0.000 0.477 274 K N 2.611 122.853 120.400 -0.263 0.000 2.111 274 K HA 0.273 4.594 4.320 0.001 0.000 0.249 274 K C -1.141 175.070 176.600 -0.649 0.000 1.157 274 K CA -0.160 55.845 56.287 -0.471 0.000 1.048 274 K CB 0.248 32.543 32.500 -0.340 0.000 1.498 274 K HN 0.269 nan 8.250 nan 0.000 0.344 275 V N 4.095 123.646 119.914 -0.604 0.000 2.378 275 V HA 0.310 4.430 4.120 0.001 0.000 0.288 275 V C -0.710 175.129 176.094 -0.425 0.000 1.016 275 V CA -0.907 61.146 62.300 -0.411 0.000 0.840 275 V CB 0.390 32.161 31.823 -0.088 0.000 0.994 275 V HN 0.451 nan 8.190 nan 0.000 0.431 276 Y N 2.504 122.796 120.300 -0.014 0.000 2.534 276 Y HA 0.865 5.415 4.550 0.001 0.000 0.329 276 Y C 0.439 176.399 175.900 0.100 0.000 1.154 276 Y CA -0.895 57.204 58.100 -0.002 0.000 1.192 276 Y CB 2.002 40.411 38.460 -0.085 0.000 1.275 276 Y HN 0.678 nan 8.280 nan 0.000 0.491 277 A N 1.109 124.121 122.820 0.321 0.000 2.549 277 A HA 0.579 4.899 4.320 0.001 0.000 0.297 277 A C -1.588 176.219 177.584 0.372 0.000 1.061 277 A CA -0.769 51.496 52.037 0.381 0.000 0.690 277 A CB 1.984 21.255 19.000 0.451 0.000 1.287 277 A HN 0.739 nan 8.150 nan 0.000 0.402 278 E N 0.690 121.068 120.200 0.297 0.000 2.238 278 E HA 0.662 5.012 4.350 0.001 0.000 0.267 278 E C -0.860 175.711 176.600 -0.049 0.000 0.887 278 E CA -0.299 56.199 56.400 0.163 0.000 0.769 278 E CB 2.033 31.839 29.700 0.178 0.000 1.187 278 E HN 0.645 nan 8.360 nan 0.000 0.416 279 T N 1.453 115.844 114.554 -0.271 0.000 2.858 279 T HA 0.615 4.966 4.350 0.001 0.000 0.285 279 T C -1.246 173.385 174.700 -0.115 0.000 1.052 279 T CA -0.351 61.515 62.100 -0.391 0.000 1.009 279 T CB 0.993 69.230 68.868 -1.052 0.000 1.241 279 T HN 0.639 nan 8.240 nan 0.000 0.542 280 C N 2.088 121.383 119.300 -0.008 0.000 2.712 280 C HA 0.491 4.952 4.460 0.001 0.000 0.308 280 C C -1.487 173.411 174.990 -0.153 0.000 1.201 280 C CA -1.177 57.815 59.018 -0.043 0.000 1.554 280 C CB 1.657 29.372 27.740 -0.042 0.000 2.117 280 C HN 0.672 nan 8.230 nan 0.000 0.480 281 P HA -0.224 nan 4.420 nan 0.000 0.216 281 P C 1.705 178.910 177.300 -0.157 0.000 1.153 281 P CA 1.589 64.588 63.100 -0.168 0.000 0.858 281 P CB -0.002 31.632 31.700 -0.109 0.000 0.789 282 Q N -0.957 118.753 119.800 -0.149 0.000 2.291 282 Q HA -0.198 4.142 4.340 0.001 0.000 0.206 282 Q C 1.513 177.342 176.000 -0.284 0.000 0.976 282 Q CA 1.758 57.461 55.803 -0.167 0.000 0.875 282 Q CB -1.444 27.142 28.738 -0.255 0.000 0.927 282 Q HN 0.407 nan 8.270 nan 0.000 0.450 283 Y N 0.379 120.620 120.300 -0.098 0.000 2.544 283 Y HA 0.212 4.762 4.550 0.001 0.000 0.286 283 Y C 2.394 178.183 175.900 -0.186 0.000 1.141 283 Y CA 0.415 58.434 58.100 -0.135 0.000 1.299 283 Y CB 0.214 38.574 38.460 -0.167 0.000 1.030 283 Y HN 0.287 nan 8.280 nan 0.000 0.543 284 A N -0.886 121.824 122.820 -0.184 0.000 2.197 284 A HA 0.216 4.537 4.320 0.001 0.000 0.210 284 A C 1.576 179.109 177.584 -0.085 0.000 1.180 284 A CA 0.452 52.269 52.037 -0.367 0.000 0.846 284 A CB -0.149 18.180 19.000 -1.118 0.000 0.884 284 A HN 0.442 nan 8.150 nan 0.000 0.487 285 L N -1.054 120.146 121.223 -0.039 0.000 2.717 285 L HA 0.384 4.724 4.340 0.001 0.000 0.239 285 L C -0.258 176.629 176.870 0.028 0.000 1.086 285 L CA 0.144 55.001 54.840 0.027 0.000 0.897 285 L CB 0.317 42.356 42.059 -0.034 0.000 1.214 285 L HN 0.140 nan 8.230 nan 0.000 0.508 286 L N -0.456 120.773 121.223 0.010 0.000 2.342 286 L HA 0.555 4.895 4.340 0.001 0.000 0.271 286 L C -0.127 176.731 176.870 -0.019 0.000 1.008 286 L CA -0.459 54.359 54.840 -0.036 0.000 0.818 286 L CB 2.074 44.079 42.059 -0.090 0.000 1.296 286 L HN -0.016 nan 8.230 nan 0.000 0.427 287 S N -1.828 113.849 115.700 -0.039 0.000 2.638 287 S HA 0.292 4.763 4.470 0.001 0.000 0.302 287 S C 0.172 174.761 174.600 -0.019 0.000 1.096 287 S CA -0.596 57.603 58.200 -0.001 0.000 0.953 287 S CB 1.778 64.994 63.200 0.026 0.000 1.107 287 S HN 0.742 nan 8.310 nan 0.000 0.503 288 D N 0.833 121.250 120.400 0.029 0.000 2.378 288 D HA 0.006 4.646 4.640 0.001 0.000 0.222 288 D C 1.652 178.015 176.300 0.105 0.000 0.980 288 D CA 0.968 55.004 54.000 0.060 0.000 0.907 288 D CB -0.560 40.285 40.800 0.075 0.000 0.899 288 D HN 0.633 nan 8.370 nan 0.000 0.527 289 A N 0.451 123.324 122.820 0.088 0.000 2.024 289 A HA -0.103 4.217 4.320 0.001 0.000 0.220 289 A C 2.113 179.763 177.584 0.109 0.000 1.164 289 A CA 0.973 53.096 52.037 0.144 0.000 0.643 289 A CB -0.773 18.344 19.000 0.195 0.000 0.806 289 A HN 0.320 nan 8.150 nan 0.000 0.451 290 I N 0.565 121.054 120.570 -0.134 0.000 3.001 290 I HA -0.111 4.060 4.170 0.001 0.000 0.268 290 I C 2.152 178.092 176.117 -0.294 0.000 1.267 290 I CA 1.824 62.853 61.300 -0.450 0.000 1.472 290 I CB -0.132 37.391 38.000 -0.796 0.000 1.089 290 I HN 0.444 nan 8.210 nan 0.000 0.468 291 T N -1.824 112.691 114.554 -0.064 0.000 3.107 291 T HA 0.210 4.560 4.350 0.001 0.000 0.249 291 T C 0.634 175.373 174.700 0.065 0.000 1.096 291 T CA -0.308 61.818 62.100 0.043 0.000 1.012 291 T CB -0.248 68.679 68.868 0.099 0.000 0.977 291 T HN 0.435 nan 8.240 nan 0.000 0.527 292 R N -1.356 119.173 120.500 0.049 0.000 2.752 292 R HA 0.684 5.024 4.340 0.001 0.000 0.271 292 R C -1.049 175.306 176.300 0.091 0.000 1.026 292 R CA -0.898 55.206 56.100 0.006 0.000 0.901 292 R CB 0.071 30.251 30.300 -0.200 0.000 1.243 292 R HN 0.029 nan 8.270 nan 0.000 0.463 293 C N 1.308 120.628 119.300 0.033 0.000 2.692 293 C HA 0.294 4.754 4.460 0.001 0.000 0.409 293 C C 0.181 175.141 174.990 -0.050 0.000 1.284 293 C CA 1.019 60.049 59.018 0.020 0.000 1.909 293 C CB -0.964 26.756 27.740 -0.033 0.000 2.713 293 C HN 0.701 nan 8.230 nan 0.000 0.649 304 V N 0.298 120.281 119.914 0.114 0.000 3.483 304 V HA 0.660 4.780 4.120 0.001 0.000 0.301 304 V C 1.013 177.242 176.094 0.225 0.000 1.389 304 V CA 1.248 63.616 62.300 0.114 0.000 1.101 304 V CB -0.021 31.852 31.823 0.082 0.000 0.971 304 V HN 1.068 nan 8.190 nan 0.000 0.434 305 G N 0.363 109.295 108.800 0.219 0.000 3.194 305 G HA2 0.628 4.588 3.960 0.001 0.000 0.160 305 G HA3 0.628 4.588 3.960 0.001 0.000 0.160 305 G C -0.417 174.544 174.900 0.101 0.000 1.267 305 G CA -1.033 44.184 45.100 0.195 0.000 0.962 305 G HN 0.263 nan 8.290 nan 0.000 0.612 306 I N 1.103 121.656 120.570 -0.028 0.000 2.428 306 I HA 0.142 4.312 4.170 0.001 0.000 0.289 306 I C -0.449 175.706 176.117 0.063 0.000 1.019 306 I CA -0.410 60.879 61.300 -0.020 0.000 1.351 306 I CB 1.567 39.517 38.000 -0.083 0.000 1.412 306 I HN 0.312 nan 8.210 nan 0.000 0.513 307 D N 6.503 126.972 120.400 0.115 0.000 2.368 307 D HA -0.002 4.639 4.640 0.001 0.000 0.268 307 D C 0.936 177.272 176.300 0.061 0.000 1.298 307 D CA 0.358 54.415 54.000 0.094 0.000 0.938 307 D CB 0.645 41.510 40.800 0.109 0.000 1.101 307 D HN 0.417 nan 8.370 nan 0.000 0.509 308 L N 2.872 124.114 121.223 0.032 0.000 2.201 308 L HA -0.146 4.195 4.340 0.001 0.000 0.212 308 L C 2.347 179.175 176.870 -0.070 0.000 1.105 308 L CA 1.072 55.859 54.840 -0.088 0.000 0.775 308 L CB -0.586 41.377 42.059 -0.161 0.000 0.913 308 L HN 0.443 nan 8.230 nan 0.000 0.440 309 S N -1.080 114.712 115.700 0.153 0.000 2.515 309 S HA -0.103 4.367 4.470 0.001 0.000 0.231 309 S C 1.958 176.640 174.600 0.136 0.000 0.987 309 S CA 0.784 59.140 58.200 0.259 0.000 0.936 309 S CB -0.297 63.046 63.200 0.239 0.000 0.766 309 S HN 0.523 nan 8.310 nan 0.000 0.528 310 S N 0.754 116.506 115.700 0.088 0.000 2.524 310 S HA 0.310 4.780 4.470 0.001 0.000 0.216 310 S C 0.549 175.192 174.600 0.073 0.000 0.987 310 S CA -0.596 57.655 58.200 0.085 0.000 0.909 310 S CB -0.716 62.542 63.200 0.097 0.000 0.781 310 S HN 0.537 nan 8.310 nan 0.000 0.521 311 I N 3.880 124.468 120.570 0.031 0.000 2.533 311 I HA 0.112 4.283 4.170 0.001 0.000 0.284 311 I C 0.471 176.614 176.117 0.043 0.000 1.109 311 I CA -0.305 61.011 61.300 0.027 0.000 1.412 311 I CB 0.762 38.722 38.000 -0.066 0.000 1.396 311 I HN 0.301 nan 8.210 nan 0.000 0.543 312 S N 5.438 121.186 115.700 0.079 0.000 2.616 312 S HA 0.321 4.792 4.470 0.001 0.000 0.277 312 S C -0.022 174.641 174.600 0.105 0.000 1.234 312 S CA -0.673 57.580 58.200 0.088 0.000 1.028 312 S CB 1.558 64.809 63.200 0.084 0.000 0.988 312 S HN 0.661 nan 8.310 nan 0.000 0.522 313 E N -0.539 119.728 120.200 0.111 0.000 2.287 313 E HA -0.149 4.202 4.350 0.001 0.000 0.229 313 E C -0.185 176.467 176.600 0.087 0.000 1.194 313 E CA 0.957 57.437 56.400 0.133 0.000 0.704 313 E CB -2.418 27.403 29.700 0.202 0.000 1.216 313 E HN 0.889 nan 8.360 nan 0.000 0.381 314 S N -2.484 113.265 115.700 0.083 0.000 2.745 314 S HA 0.715 5.185 4.470 0.001 0.000 0.306 314 S C -2.308 172.348 174.600 0.093 0.000 1.137 314 S CA -1.425 56.815 58.200 0.067 0.000 0.900 314 S CB 2.636 65.792 63.200 -0.074 0.000 1.176 314 S HN -0.227 nan 8.310 nan 0.000 0.520 315 P HA 0.029 nan 4.420 nan 0.000 0.221 315 P C 0.894 178.390 177.300 0.326 0.000 1.145 315 P CA 1.197 64.409 63.100 0.187 0.000 0.795 315 P CB -0.147 31.663 31.700 0.183 0.000 0.775 316 F N -0.242 119.715 119.950 0.013 0.000 2.113 316 F HA -0.162 4.366 4.527 0.001 0.000 0.297 316 F C 2.429 178.246 175.800 0.028 0.000 1.103 316 F CA 1.474 59.484 58.000 0.016 0.000 1.248 316 F CB -0.995 38.006 39.000 0.003 0.000 0.999 316 F HN 0.009 nan 8.300 nan 0.000 0.475 317 T N -3.438 111.264 114.554 0.247 0.000 3.035 317 T HA 0.009 4.360 4.350 0.001 0.000 0.259 317 T C 0.737 175.512 174.700 0.125 0.000 1.078 317 T CA 0.471 62.663 62.100 0.154 0.000 1.132 317 T CB -0.213 68.733 68.868 0.130 0.000 0.900 317 T HN 0.051 nan 8.240 nan 0.000 0.480 318 N N 2.397 121.176 118.700 0.133 0.000 2.886 318 N HA 0.220 4.961 4.740 0.001 0.000 0.285 318 N C -2.192 173.387 175.510 0.115 0.000 1.706 318 N CA -1.128 51.994 53.050 0.120 0.000 0.904 318 N CB 1.788 40.355 38.487 0.133 0.000 1.224 318 N HN 0.358 nan 8.380 nan 0.000 0.488 319 P HA -0.104 nan 4.420 nan 0.000 0.223 319 P C 0.977 178.326 177.300 0.082 0.000 1.151 319 P CA 0.786 63.938 63.100 0.086 0.000 0.787 319 P CB 0.630 32.366 31.700 0.060 0.000 0.788 320 D N 0.359 120.808 120.400 0.082 0.000 2.149 320 D HA -0.151 4.490 4.640 0.001 0.000 0.198 320 D C 0.210 176.571 176.300 0.102 0.000 0.990 320 D CA 1.027 55.075 54.000 0.080 0.000 0.839 320 D CB -0.268 40.576 40.800 0.074 0.000 0.948 320 D HN 0.048 nan 8.370 nan 0.000 0.460 321 D N 0.191 120.668 120.400 0.127 0.000 2.422 321 D HA 0.033 4.674 4.640 0.001 0.000 0.227 321 D C 1.104 177.518 176.300 0.190 0.000 1.190 321 D CA -0.173 53.930 54.000 0.172 0.000 0.905 321 D CB 0.529 41.453 40.800 0.208 0.000 1.034 321 D HN -0.030 nan 8.370 nan 0.000 0.507 322 R N 2.724 123.349 120.500 0.208 0.000 2.189 322 R HA -0.098 4.242 4.340 0.001 0.000 0.223 322 R C 1.206 177.689 176.300 0.305 0.000 1.092 322 R CA 0.898 57.132 56.100 0.224 0.000 0.989 322 R CB -0.065 30.369 30.300 0.224 0.000 0.876 322 R HN 0.375 nan 8.270 nan 0.000 0.457 323 F N -0.373 119.690 119.950 0.189 0.000 2.695 323 F HA 0.224 4.751 4.527 0.001 0.000 0.303 323 F C 1.369 177.256 175.800 0.146 0.000 1.091 323 F CA -0.363 57.765 58.000 0.215 0.000 1.300 323 F CB 0.190 39.383 39.000 0.322 0.000 1.071 323 F HN -0.068 nan 8.300 nan 0.000 0.578 324 I N -0.278 120.324 120.570 0.055 0.000 2.756 324 I HA -0.106 4.064 4.170 0.001 0.000 0.262 324 I C 2.354 178.241 176.117 -0.384 0.000 1.225 324 I CA 1.302 62.432 61.300 -0.283 0.000 1.472 324 I CB -0.538 37.362 38.000 -0.165 0.000 1.094 324 I HN 0.195 nan 8.210 nan 0.000 0.454 325 G N 0.077 108.759 108.800 -0.196 0.000 2.479 325 G HA2 -0.311 3.650 3.960 0.001 0.000 0.220 325 G HA3 -0.311 3.650 3.960 0.001 0.000 0.220 325 G C 1.719 176.471 174.900 -0.247 0.000 1.115 325 G CA 0.914 45.953 45.100 -0.101 0.000 0.757 325 G HN 0.562 nan 8.290 nan 0.000 0.560 326 S N 0.621 116.001 115.700 -0.533 0.000 2.419 326 S HA -0.088 4.382 4.470 0.001 0.000 0.233 326 S C 2.002 176.283 174.600 -0.532 0.000 1.016 326 S CA 1.402 59.240 58.200 -0.604 0.000 0.974 326 S CB -0.255 62.316 63.200 -1.048 0.000 0.786 326 S HN 0.465 nan 8.310 nan 0.000 0.492 327 K N 0.276 120.200 120.400 -0.794 0.000 2.218 327 K HA -0.122 4.198 4.320 0.001 0.000 0.205 327 K C 0.431 176.552 176.600 -0.798 0.000 1.046 327 K CA 1.638 57.295 56.287 -1.050 0.000 0.933 327 K CB -0.293 31.195 32.500 -1.687 0.000 0.728 327 K HN 0.697 nan 8.250 nan 0.000 0.454 328 Y N -0.347 119.816 120.300 -0.228 0.000 2.696 328 Y HA 0.246 4.796 4.550 0.001 0.000 0.260 328 Y C -0.025 175.791 175.900 -0.140 0.000 1.165 328 Y CA -0.767 57.231 58.100 -0.169 0.000 1.189 328 Y CB 0.533 38.878 38.460 -0.191 0.000 1.180 328 Y HN -0.162 nan 8.280 nan 0.000 0.538 329 I N 2.824 123.337 120.570 -0.095 0.000 2.337 329 I HA 0.202 4.372 4.170 0.001 0.000 0.291 329 I C 0.458 176.506 176.117 -0.116 0.000 1.046 329 I CA -0.725 60.473 61.300 -0.170 0.000 1.324 329 I CB -0.339 37.451 38.000 -0.350 0.000 1.409 329 I HN 0.362 nan 8.210 nan 0.000 0.494 330 C N 3.053 122.350 119.300 -0.004 0.000 3.285 330 C HA 0.821 5.281 4.460 0.001 0.000 0.320 330 C C -0.113 175.031 174.990 0.255 0.000 1.411 330 C CA -0.705 58.370 59.018 0.094 0.000 1.429 330 C CB 1.730 29.509 27.740 0.065 0.000 1.812 330 C HN 0.653 nan 8.230 nan 0.000 0.454 331 S N 2.657 118.487 115.700 0.216 0.000 2.605 331 S HA 0.732 5.203 4.470 0.001 0.000 0.308 331 S C -2.680 171.820 174.600 -0.166 0.000 1.113 331 S CA -0.354 57.954 58.200 0.180 0.000 1.049 331 S CB 1.675 65.067 63.200 0.321 0.000 1.001 331 S HN 0.809 nan 8.310 nan 0.000 0.480 332 P HA 0.293 nan 4.420 nan 0.000 0.272 332 P C -2.821 174.508 177.300 0.048 0.000 1.240 332 P CA -1.586 61.439 63.100 -0.126 0.000 0.791 332 P CB -0.581 30.959 31.700 -0.266 0.000 0.978 333 P HA 0.152 nan 4.420 nan 0.000 0.272 333 P C 0.310 177.709 177.300 0.166 0.000 1.223 333 P CA 0.042 63.210 63.100 0.114 0.000 0.784 333 P CB 0.405 32.050 31.700 -0.092 0.000 0.923 334 I N 2.623 123.307 120.570 0.190 0.000 2.741 334 I HA -0.044 4.126 4.170 0.001 0.000 0.288 334 I C 1.558 177.723 176.117 0.080 0.000 1.192 334 I CA 0.424 61.820 61.300 0.160 0.000 1.426 334 I CB 0.029 38.065 38.000 0.061 0.000 1.367 334 I HN 0.150 nan 8.210 nan 0.000 0.563 335 R N 6.973 127.522 120.500 0.081 0.000 2.549 335 R HA 0.461 4.802 4.340 0.001 0.000 0.267 335 R C -2.314 174.003 176.300 0.028 0.000 1.045 335 R CA -2.257 53.858 56.100 0.025 0.000 1.115 335 R CB -0.112 30.194 30.300 0.011 0.000 1.121 335 R HN 0.232 nan 8.270 nan 0.000 0.543 336 P HA -0.059 nan 4.420 nan 0.000 0.269 336 P C -0.253 177.075 177.300 0.046 0.000 1.217 336 P CA -0.119 63.005 63.100 0.041 0.000 0.783 336 P CB 0.356 32.075 31.700 0.031 0.000 0.898 337 E N 1.138 121.371 120.200 0.055 0.000 2.502 337 E HA 0.193 4.543 4.350 0.001 0.000 0.261 337 E C 1.272 177.901 176.600 0.049 0.000 0.974 337 E CA 1.729 58.161 56.400 0.053 0.000 0.936 337 E CB -0.829 28.904 29.700 0.054 0.000 0.926 337 E HN 0.699 nan 8.360 nan 0.000 0.459 338 G N 3.067 111.900 108.800 0.054 0.000 2.213 338 G HA2 -0.265 3.695 3.960 0.001 0.000 0.226 338 G HA3 -0.265 3.695 3.960 0.001 0.000 0.226 338 G C 1.104 176.038 174.900 0.057 0.000 0.992 338 G CA 0.420 45.552 45.100 0.053 0.000 0.632 338 G HN 0.575 nan 8.290 nan 0.000 0.511 339 T N 0.635 115.222 114.554 0.055 0.000 3.009 339 T HA 0.073 4.423 4.350 0.001 0.000 0.258 339 T C 2.251 176.994 174.700 0.070 0.000 1.063 339 T CA 1.773 63.903 62.100 0.050 0.000 1.139 339 T CB -0.050 68.837 68.868 0.032 0.000 0.890 339 T HN 0.324 nan 8.240 nan 0.000 0.471 340 Q N 1.418 121.269 119.800 0.086 0.000 2.170 340 Q HA 0.026 4.366 4.340 0.001 0.000 0.203 340 Q C 2.157 178.257 176.000 0.166 0.000 0.976 340 Q CA 1.201 57.063 55.803 0.099 0.000 0.858 340 Q CB -0.191 28.618 28.738 0.119 0.000 0.907 340 Q HN 0.372 nan 8.270 nan 0.000 0.433 341 K N 0.006 120.529 120.400 0.205 0.000 2.097 341 K HA -0.139 4.181 4.320 0.001 0.000 0.206 341 K C 2.076 178.816 176.600 0.233 0.000 1.049 341 K CA 1.372 57.820 56.287 0.268 0.000 0.933 341 K CB -0.120 32.488 32.500 0.179 0.000 0.717 341 K HN 0.326 nan 8.250 nan 0.000 0.442 342 S N 0.395 116.188 115.700 0.155 0.000 2.447 342 S HA -0.093 4.377 4.470 0.001 0.000 0.233 342 S C 1.819 176.529 174.600 0.183 0.000 1.006 342 S CA 0.688 58.970 58.200 0.136 0.000 0.957 342 S CB -0.261 62.992 63.200 0.088 0.000 0.773 342 S HN 0.155 nan 8.310 nan 0.000 0.507 343 I N 0.367 121.033 120.570 0.161 0.000 2.286 343 I HA 0.034 4.205 4.170 0.001 0.000 0.245 343 I C 2.229 178.448 176.117 0.170 0.000 1.104 343 I CA 0.370 61.764 61.300 0.157 0.000 1.397 343 I CB -1.813 36.138 38.000 -0.082 0.000 1.072 343 I HN 0.387 nan 8.210 nan 0.000 0.417 344 W N 2.354 123.751 121.300 0.162 0.000 2.355 344 W HA -0.235 4.425 4.660 0.001 0.000 0.309 344 W C 2.661 179.259 176.519 0.131 0.000 1.206 344 W CA 1.457 58.882 57.345 0.134 0.000 1.284 344 W CB -0.245 29.270 29.460 0.093 0.000 1.145 344 W HN 0.166 nan 8.180 nan 0.000 0.502 345 K N -0.063 120.541 120.400 0.339 0.000 2.147 345 K HA -0.020 4.300 4.320 0.001 0.000 0.205 345 K C 2.186 178.872 176.600 0.143 0.000 1.049 345 K CA 1.667 58.075 56.287 0.201 0.000 0.936 345 K CB -1.114 31.465 32.500 0.131 0.000 0.722 345 K HN 0.157 nan 8.250 nan 0.000 0.446 346 G N 1.622 110.517 108.800 0.159 0.000 2.418 346 G HA2 -0.214 3.746 3.960 0.001 0.000 0.217 346 G HA3 -0.214 3.746 3.960 0.001 0.000 0.217 346 G C 1.539 176.508 174.900 0.114 0.000 1.158 346 G CA 0.994 46.073 45.100 -0.035 0.000 0.771 346 G HN 0.211 nan 8.290 nan 0.000 0.545 347 M N 0.520 120.365 119.600 0.410 0.000 2.159 347 M HA -0.038 4.442 4.480 0.001 0.000 0.263 347 M C 2.266 178.694 176.300 0.213 0.000 1.063 347 M CA 0.990 56.502 55.300 0.353 0.000 1.110 347 M CB -0.244 32.550 32.600 0.324 0.000 1.374 347 M HN 0.150 nan 8.290 nan 0.000 0.411 348 N N 0.819 119.632 118.700 0.190 0.000 2.290 348 N HA -0.079 4.661 4.740 0.001 0.000 0.179 348 N C 1.179 176.728 175.510 0.065 0.000 1.016 348 N CA 1.291 54.415 53.050 0.123 0.000 0.871 348 N CB -0.556 38.004 38.487 0.121 0.000 0.987 348 N HN 0.479 nan 8.380 nan 0.000 0.431 349 N N -0.196 118.528 118.700 0.039 0.000 2.398 349 N HA 0.075 4.816 4.740 0.001 0.000 0.188 349 N C 1.019 176.514 175.510 -0.024 0.000 1.122 349 N CA 0.879 53.929 53.050 0.000 0.000 0.866 349 N CB 0.078 38.557 38.487 -0.014 0.000 0.970 349 N HN 0.190 nan 8.380 nan 0.000 0.462 350 G N -1.473 107.315 108.800 -0.020 0.000 2.176 350 G HA2 -0.313 3.647 3.960 0.001 0.000 0.232 350 G HA3 -0.313 3.647 3.960 0.001 0.000 0.232 350 G C 1.012 175.862 174.900 -0.084 0.000 0.986 350 G CA 0.508 45.592 45.100 -0.026 0.000 0.643 350 G HN 0.354 nan 8.290 nan 0.000 0.522 351 T N 0.403 114.826 114.554 -0.218 0.000 2.708 351 T HA 0.090 4.440 4.350 0.001 0.000 0.266 351 T C 0.942 175.389 174.700 -0.422 0.000 1.037 351 T CA 1.286 63.128 62.100 -0.431 0.000 1.146 351 T CB -0.170 68.219 68.868 -0.798 0.000 0.865 351 T HN 0.374 nan 8.240 nan 0.000 0.435 352 F N 1.611 121.592 119.950 0.051 0.000 2.391 352 F HA 0.312 4.839 4.527 0.001 0.000 0.359 352 F C 1.575 177.406 175.800 0.051 0.000 1.122 352 F CA -0.941 57.093 58.000 0.058 0.000 1.120 352 F CB 1.001 40.030 39.000 0.047 0.000 1.142 352 F HN -0.108 nan 8.300 nan 0.000 0.483 353 T N 3.682 118.368 114.554 0.219 0.000 2.812 353 T HA 0.014 4.365 4.350 0.001 0.000 0.264 353 T C 0.629 175.374 174.700 0.075 0.000 1.042 353 T CA 1.087 63.247 62.100 0.100 0.000 1.140 353 T CB -0.116 68.777 68.868 0.043 0.000 0.870 353 T HN 0.545 nan 8.240 nan 0.000 0.445 354 I N -2.369 118.271 120.570 0.118 0.000 3.074 354 I HA 0.761 4.931 4.170 0.001 0.000 0.310 354 I C -1.710 174.472 176.117 0.107 0.000 1.153 354 I CA -1.550 59.807 61.300 0.094 0.000 0.993 354 I CB 2.453 40.499 38.000 0.077 0.000 1.237 354 I HN -0.341 nan 8.210 nan 0.000 0.443 355 V N 2.304 122.269 119.914 0.086 0.000 2.531 355 V HA 0.807 4.927 4.120 0.001 0.000 0.301 355 V C 0.436 176.581 176.094 0.086 0.000 1.034 355 V CA -0.078 62.255 62.300 0.054 0.000 0.865 355 V CB 1.241 33.079 31.823 0.025 0.000 0.995 355 V HN 1.058 nan 8.190 nan 0.000 0.424 356 G N 2.033 110.893 108.800 0.099 0.000 2.788 356 G HA2 0.556 4.516 3.960 0.001 0.000 0.293 356 G HA3 0.556 4.516 3.960 0.001 0.000 0.293 356 G C 0.676 175.633 174.900 0.096 0.000 1.305 356 G CA 0.263 45.447 45.100 0.140 0.000 1.005 356 G HN 0.757 nan 8.290 nan 0.000 0.496 357 S N -1.630 114.146 115.700 0.127 0.000 2.475 357 S HA 0.091 4.561 4.470 0.001 0.000 0.224 357 S C 0.866 175.522 174.600 0.093 0.000 1.042 357 S CA 1.202 59.470 58.200 0.113 0.000 0.935 357 S CB 0.071 63.369 63.200 0.164 0.000 0.801 357 S HN 0.745 nan 8.310 nan 0.000 0.509 358 D N 1.247 121.702 120.400 0.092 0.000 2.800 358 D HA -0.233 4.407 4.640 0.001 0.000 0.232 358 D C -0.221 176.240 176.300 0.268 0.000 1.137 358 D CA 0.717 54.772 54.000 0.091 0.000 0.718 358 D CB -2.515 38.260 40.800 -0.042 0.000 1.084 358 D HN 0.851 nan 8.370 nan 0.000 0.432 359 H N 0.196 119.391 119.070 0.209 0.000 3.145 359 H HA 0.319 4.875 4.556 0.001 0.000 0.288 359 H C -0.514 174.934 175.328 0.201 0.000 0.969 359 H CA 0.958 57.101 56.048 0.159 0.000 1.444 359 H CB 0.249 30.087 29.762 0.127 0.000 1.500 359 H HN 0.268 nan 8.280 nan 0.000 0.552 360 C N 5.688 124.813 119.300 -0.292 0.000 2.887 360 C HA 0.376 4.836 4.460 0.001 0.000 0.379 360 C C -1.113 173.585 174.990 -0.486 0.000 1.064 360 C CA -0.487 58.372 59.018 -0.264 0.000 1.282 360 C CB -0.380 27.331 27.740 -0.047 0.000 1.749 360 C HN 0.898 nan 8.230 nan 0.000 0.489 361 S N 4.662 119.962 115.700 -0.667 0.000 2.437 361 S HA 0.778 5.248 4.470 0.001 0.000 0.305 361 S C -1.395 172.787 174.600 -0.697 0.000 1.109 361 S CA -0.318 57.523 58.200 -0.599 0.000 1.099 361 S CB 0.801 63.687 63.200 -0.523 0.000 1.004 361 S HN 0.694 nan 8.310 nan 0.000 0.475 362 Y N 0.935 121.214 120.300 -0.035 0.000 2.457 362 Y HA 0.388 4.938 4.550 0.001 0.000 0.343 362 Y C 0.300 176.298 175.900 0.163 0.000 0.994 362 Y CA -1.258 56.872 58.100 0.050 0.000 1.031 362 Y CB 1.166 39.662 38.460 0.060 0.000 1.246 362 Y HN 0.477 nan 8.280 nan 0.000 0.449 363 N N 1.156 120.026 118.700 0.283 0.000 2.416 363 N HA -0.061 4.680 4.740 0.001 0.000 0.246 363 N C -0.052 175.658 175.510 0.335 0.000 1.260 363 N CA 0.261 53.488 53.050 0.296 0.000 0.897 363 N CB 0.672 39.275 38.487 0.193 0.000 1.110 363 N HN 0.828 nan 8.380 nan 0.000 0.439 364 Y N 0.415 120.799 120.300 0.141 0.000 2.526 364 Y HA 0.197 4.747 4.550 0.001 0.000 0.265 364 Y C 0.800 176.610 175.900 -0.151 0.000 1.092 364 Y CA 0.424 58.464 58.100 -0.101 0.000 1.277 364 Y CB 0.194 38.279 38.460 -0.625 0.000 1.228 364 Y HN 0.559 nan 8.280 nan 0.000 0.507 365 Y N 1.146 121.526 120.300 0.133 0.000 2.466 365 Y HA 0.179 4.729 4.550 0.001 0.000 0.272 365 Y C -0.084 175.782 175.900 -0.055 0.000 1.169 365 Y CA -0.196 57.915 58.100 0.019 0.000 1.285 365 Y CB 0.174 38.700 38.460 0.110 0.000 1.078 365 Y HN 0.116 nan 8.280 nan 0.000 0.523 366 E N -0.989 119.238 120.200 0.045 0.000 2.238 366 E HA 0.403 4.754 4.350 0.001 0.000 0.267 366 E C -0.392 176.145 176.600 -0.104 0.000 0.887 366 E CA -0.853 55.529 56.400 -0.029 0.000 0.769 366 E CB 1.728 31.444 29.700 0.027 0.000 1.187 366 E HN -0.028 nan 8.360 nan 0.000 0.416 367 K N 0.833 121.122 120.400 -0.184 0.000 2.380 367 K HA 0.054 4.375 4.320 0.001 0.000 0.198 367 K C 1.132 177.683 176.600 -0.082 0.000 1.070 367 K CA 0.871 57.006 56.287 -0.254 0.000 1.040 367 K CB 0.712 32.923 32.500 -0.483 0.000 0.903 367 K HN 0.755 nan 8.250 nan 0.000 0.549 368 T N -1.220 113.301 114.554 -0.056 0.000 3.009 368 T HA -0.012 4.338 4.350 0.001 0.000 0.258 368 T C 1.315 176.017 174.700 0.004 0.000 1.063 368 T CA 0.127 62.210 62.100 -0.029 0.000 1.139 368 T CB -0.044 68.805 68.868 -0.032 0.000 0.890 368 T HN 0.060 nan 8.240 nan 0.000 0.471 369 S N 1.984 117.698 115.700 0.022 0.000 2.614 369 S HA 0.233 4.703 4.470 0.001 0.000 0.265 369 S C 1.505 176.136 174.600 0.052 0.000 1.303 369 S CA 0.099 58.322 58.200 0.038 0.000 1.000 369 S CB 0.923 64.151 63.200 0.048 0.000 0.935 369 S HN 0.524 nan 8.310 nan 0.000 0.551 370 T N -1.949 112.635 114.554 0.052 0.000 3.113 370 T HA 0.196 4.546 4.350 0.001 0.000 0.263 370 T C 1.074 175.831 174.700 0.096 0.000 1.143 370 T CA 0.477 62.610 62.100 0.055 0.000 1.090 370 T CB -0.426 68.469 68.868 0.045 0.000 0.922 370 T HN 0.925 nan 8.240 nan 0.000 0.521 371 A N 0.654 123.549 122.820 0.126 0.000 2.535 371 A HA 0.596 4.916 4.320 0.001 0.000 0.273 371 A C 0.945 178.685 177.584 0.261 0.000 1.267 371 A CA -0.447 51.722 52.037 0.220 0.000 0.940 371 A CB 0.009 19.105 19.000 0.160 0.000 1.101 371 A HN 0.421 nan 8.150 nan 0.000 0.521 372 S N -0.179 115.629 115.700 0.181 0.000 2.586 372 S HA 0.288 4.759 4.470 0.001 0.000 0.274 372 S C 1.119 175.821 174.600 0.169 0.000 1.281 372 S CA -0.583 57.736 58.200 0.198 0.000 1.035 372 S CB 0.666 63.966 63.200 0.166 0.000 0.962 372 S HN 0.324 nan 8.310 nan 0.000 0.512 373 K N 2.313 122.836 120.400 0.205 0.000 2.152 373 K HA -0.099 4.222 4.320 0.001 0.000 0.206 373 K C 1.296 178.002 176.600 0.177 0.000 1.048 373 K CA 1.382 57.741 56.287 0.119 0.000 0.933 373 K CB -0.417 32.157 32.500 0.124 0.000 0.721 373 K HN 0.714 nan 8.250 nan 0.000 0.447 374 H N 0.073 119.273 119.070 0.218 0.000 2.556 374 H HA 0.018 4.575 4.556 0.001 0.000 0.268 374 H C 1.928 177.325 175.328 0.116 0.000 0.996 374 H CA 0.196 56.352 56.048 0.181 0.000 1.157 374 H CB 0.121 29.886 29.762 0.005 0.000 1.355 374 H HN 0.181 nan 8.280 nan 0.000 0.597 375 R N 1.580 122.162 120.500 0.136 0.000 2.226 375 R HA -0.136 4.204 4.340 0.001 0.000 0.246 375 R C 1.905 178.187 176.300 -0.030 0.000 1.161 375 R CA 1.009 57.131 56.100 0.036 0.000 0.997 375 R CB -0.081 30.213 30.300 -0.010 0.000 0.870 375 R HN 0.255 nan 8.270 nan 0.000 0.465 376 A N 0.192 122.979 122.820 -0.055 0.000 2.119 376 A HA 0.001 4.321 4.320 0.001 0.000 0.217 376 A C 0.225 177.532 177.584 -0.463 0.000 1.153 376 A CA 0.346 52.259 52.037 -0.206 0.000 0.692 376 A CB -0.083 18.827 19.000 -0.151 0.000 0.799 376 A HN 0.236 nan 8.150 nan 0.000 0.458 377 F N 0.340 120.182 119.950 -0.178 0.000 2.334 377 F HA 0.453 4.980 4.527 0.001 0.000 0.367 377 F C 0.065 175.774 175.800 -0.152 0.000 1.115 377 F CA -0.839 57.050 58.000 -0.184 0.000 1.116 377 F CB 0.998 39.871 39.000 -0.211 0.000 1.230 377 F HN 0.008 nan 8.300 nan 0.000 0.484 378 D N 5.085 125.453 120.400 -0.052 0.000 2.668 378 D HA 0.255 4.895 4.640 0.001 0.000 0.247 378 D C -2.166 174.072 176.300 -0.102 0.000 1.268 378 D CA -1.974 51.977 54.000 -0.081 0.000 0.842 378 D CB 1.177 41.896 40.800 -0.135 0.000 1.399 378 D HN 0.068 nan 8.370 nan 0.000 0.530 379 P HA -0.105 nan 4.420 nan 0.000 0.218 379 P C 0.823 178.082 177.300 -0.069 0.000 1.146 379 P CA 1.057 64.124 63.100 -0.055 0.000 0.813 379 P CB 0.472 32.156 31.700 -0.027 0.000 0.778 380 E N -1.461 118.698 120.200 -0.068 0.000 2.371 380 E HA -0.019 4.331 4.350 0.001 0.000 0.194 380 E C 0.764 177.317 176.600 -0.078 0.000 1.012 380 E CA 0.410 56.772 56.400 -0.062 0.000 0.860 380 E CB -0.311 29.360 29.700 -0.049 0.000 0.811 380 E HN 0.176 nan 8.360 nan 0.000 0.502 381 N N 1.179 119.814 118.700 -0.109 0.000 2.320 381 N HA 0.053 4.793 4.740 0.001 0.000 0.237 381 N C -0.795 174.603 175.510 -0.187 0.000 1.129 381 N CA 0.021 52.991 53.050 -0.134 0.000 0.854 381 N CB 0.416 38.815 38.487 -0.147 0.000 1.083 381 N HN 0.006 nan 8.380 nan 0.000 0.504 382 N N 0.538 119.143 118.700 -0.159 0.000 2.740 382 N HA -0.198 4.542 4.740 0.001 0.000 0.248 382 N C -0.985 174.346 175.510 -0.297 0.000 1.062 382 N CA 0.926 53.879 53.050 -0.161 0.000 0.704 382 N CB -1.131 37.295 38.487 -0.103 0.000 0.968 382 N HN 0.455 nan 8.380 nan 0.000 0.547 383 K N 0.545 120.723 120.400 -0.370 0.000 2.413 383 K HA 0.371 4.691 4.320 0.001 0.000 0.257 383 K C 0.111 176.548 176.600 -0.272 0.000 0.946 383 K CA -0.550 55.400 56.287 -0.561 0.000 0.823 383 K CB 1.418 33.429 32.500 -0.813 0.000 1.109 383 K HN 0.081 nan 8.250 nan 0.000 0.427 384 N N 2.020 120.605 118.700 -0.191 0.000 2.451 384 N HA 0.099 4.839 4.740 0.001 0.000 0.271 384 N C 0.273 175.614 175.510 -0.282 0.000 1.410 384 N CA 0.111 53.101 53.050 -0.100 0.000 0.884 384 N CB 1.685 40.175 38.487 0.006 0.000 1.332 384 N HN 0.986 nan 8.380 nan 0.000 0.498 385 G N 1.169 109.522 108.800 -0.744 0.000 2.175 385 G HA2 -0.255 3.705 3.960 0.001 0.000 0.244 385 G HA3 -0.255 3.705 3.960 0.001 0.000 0.244 385 G C -0.079 174.692 174.900 -0.215 0.000 0.982 385 G CA -0.258 44.170 45.100 -1.119 0.000 0.641 385 G HN 0.335 nan 8.290 nan 0.000 0.527 386 E N -0.022 120.149 120.200 -0.049 0.000 2.442 386 E HA 0.382 4.732 4.350 0.001 0.000 0.262 386 E C 1.407 177.969 176.600 -0.063 0.000 1.004 386 E CA 0.122 56.507 56.400 -0.024 0.000 0.928 386 E CB 0.009 29.638 29.700 -0.119 0.000 0.937 386 E HN 0.550 nan 8.360 nan 0.000 0.446 387 F N 2.369 122.324 119.950 0.009 0.000 2.192 387 F HA -0.210 4.317 4.527 0.001 0.000 0.301 387 F C 2.041 177.787 175.800 -0.091 0.000 1.079 387 F CA 1.283 59.276 58.000 -0.011 0.000 1.303 387 F CB -0.263 38.771 39.000 0.056 0.000 1.024 387 F HN 0.383 nan 8.300 nan 0.000 0.494 388 R N 0.119 120.134 120.500 -0.808 0.000 2.133 388 R HA -0.238 4.102 4.340 0.001 0.000 0.247 388 R C 1.437 177.425 176.300 -0.519 0.000 1.151 388 R CA 2.269 57.922 56.100 -0.745 0.000 0.971 388 R CB -0.755 28.861 30.300 -1.140 0.000 0.866 388 R HN 0.547 nan 8.270 nan 0.000 0.447 389 Y N -0.125 120.075 120.300 -0.166 0.000 2.457 389 Y HA 0.263 4.813 4.550 0.001 0.000 0.263 389 Y C 0.407 176.234 175.900 -0.122 0.000 1.164 389 Y CA -0.726 57.287 58.100 -0.145 0.000 1.274 389 Y CB 0.454 38.805 38.460 -0.182 0.000 1.097 389 Y HN -0.078 nan 8.280 nan 0.000 0.523 390 I N 4.774 125.349 120.570 0.009 0.000 2.452 390 I HA 0.088 4.259 4.170 0.001 0.000 0.287 390 I C -2.102 173.933 176.117 -0.136 0.000 1.079 390 I CA -2.095 59.184 61.300 -0.035 0.000 1.387 390 I CB 0.536 38.491 38.000 -0.075 0.000 1.404 390 I HN -0.143 nan 8.210 nan 0.000 0.522 391 P HA 0.005 nan 4.420 nan 0.000 0.262 391 P C -0.885 176.244 177.300 -0.285 0.000 1.199 391 P CA 0.202 63.013 63.100 -0.481 0.000 0.763 391 P CB 0.209 31.188 31.700 -1.201 0.000 0.790 392 N N 1.822 120.463 118.700 -0.099 0.000 2.488 392 N HA 0.486 5.226 4.740 0.001 0.000 0.274 392 N C 0.390 176.003 175.510 0.171 0.000 1.111 392 N CA -0.015 53.051 53.050 0.026 0.000 0.974 392 N CB 0.713 39.268 38.487 0.114 0.000 1.089 392 N HN 0.607 nan 8.380 nan 0.000 0.465 393 G N 0.922 109.799 108.800 0.129 0.000 2.312 393 G HA2 0.228 4.188 3.960 0.001 0.000 0.347 393 G HA3 0.228 4.188 3.960 0.001 0.000 0.347 393 G C -2.150 172.781 174.900 0.052 0.000 1.564 393 G CA -0.884 44.284 45.100 0.114 0.000 0.981 393 G HN 0.289 nan 8.290 nan 0.000 0.678 394 L N 1.275 122.484 121.223 -0.023 0.000 2.381 394 L HA 0.686 5.026 4.340 0.001 0.000 0.268 394 L C -2.230 174.537 176.870 -0.172 0.000 0.997 394 L CA -1.952 52.839 54.840 -0.083 0.000 0.818 394 L CB 2.294 44.313 42.059 -0.068 0.000 1.310 394 L HN 0.329 nan 8.230 nan 0.000 0.416 395 P HA 0.365 nan 4.420 nan 0.000 0.271 395 P C 0.281 177.658 177.300 0.129 0.000 1.216 395 P CA 0.025 62.998 63.100 -0.211 0.000 0.771 395 P CB 0.985 32.560 31.700 -0.208 0.000 0.864 396 G N 0.998 110.042 108.800 0.407 0.000 3.668 396 G HA2 -0.064 3.896 3.960 0.001 0.000 0.185 396 G HA3 -0.064 3.896 3.960 0.001 0.000 0.185 396 G C 0.930 175.989 174.900 0.266 0.000 1.159 396 G CA 0.112 45.416 45.100 0.341 0.000 0.875 396 G HN 0.430 nan 8.290 nan 0.000 0.689 397 V N 0.741 120.813 119.914 0.263 0.000 2.490 397 V HA -0.166 3.954 4.120 0.001 0.000 0.250 397 V C 2.593 178.664 176.094 -0.037 0.000 1.061 397 V CA 2.634 64.916 62.300 -0.031 0.000 1.064 397 V CB -0.212 31.375 31.823 -0.393 0.000 0.670 397 V HN 0.529 nan 8.190 nan 0.000 0.461 398 C N 0.555 119.860 119.300 0.010 0.000 2.466 398 C HA -0.086 4.374 4.460 0.001 0.000 0.278 398 C C 3.010 177.988 174.990 -0.021 0.000 1.288 398 C CA 1.725 60.733 59.018 -0.016 0.000 1.722 398 C CB -1.209 26.559 27.740 0.047 0.000 2.017 398 C HN 0.773 nan 8.230 nan 0.000 0.488 399 T N -1.359 113.242 114.554 0.078 0.000 3.088 399 T HA -0.036 4.315 4.350 0.001 0.000 0.259 399 T C 1.902 176.579 174.700 -0.039 0.000 1.122 399 T CA 0.802 62.932 62.100 0.050 0.000 1.095 399 T CB -0.556 68.361 68.868 0.081 0.000 0.930 399 T HN 0.676 nan 8.240 nan 0.000 0.508 400 R N 0.634 121.126 120.500 -0.013 0.000 2.097 400 R HA -0.097 4.244 4.340 0.001 0.000 0.236 400 R C 2.347 178.662 176.300 0.025 0.000 1.135 400 R CA 1.776 57.876 56.100 0.000 0.000 0.934 400 R CB -0.315 30.000 30.300 0.026 0.000 0.846 400 R HN 0.301 nan 8.270 nan 0.000 0.431 401 M N -0.308 119.305 119.600 0.022 0.000 2.077 401 M HA -0.051 4.429 4.480 0.001 0.000 0.261 401 M C -0.645 175.795 176.300 0.233 0.000 1.070 401 M CA 1.508 56.891 55.300 0.139 0.000 1.125 401 M CB -1.476 31.223 32.600 0.164 0.000 1.339 401 M HN 0.080 nan 8.290 nan 0.000 0.409 402 P HA -0.080 nan 4.420 nan 0.000 0.217 402 P C 1.860 179.306 177.300 0.243 0.000 1.150 402 P CA 1.085 64.297 63.100 0.186 0.000 0.832 402 P CB -0.221 31.394 31.700 -0.141 0.000 0.787 403 L N -1.307 120.012 121.223 0.160 0.000 2.042 403 L HA -0.179 4.161 4.340 0.001 0.000 0.210 403 L C 2.413 179.466 176.870 0.304 0.000 1.076 403 L CA 1.313 56.269 54.840 0.193 0.000 0.749 403 L CB -0.805 41.211 42.059 -0.072 0.000 0.893 403 L HN 0.013 nan 8.230 nan 0.000 0.432 404 L N -1.896 119.472 121.223 0.242 0.000 2.179 404 L HA -0.219 4.121 4.340 0.001 0.000 0.208 404 L C 2.487 179.496 176.870 0.232 0.000 1.096 404 L CA 1.388 56.397 54.840 0.283 0.000 0.779 404 L CB -0.675 41.505 42.059 0.201 0.000 0.922 404 L HN 0.282 nan 8.230 nan 0.000 0.443 405 Y N 1.248 121.575 120.300 0.046 0.000 2.097 405 Y HA -0.347 4.203 4.550 0.001 0.000 0.282 405 Y C 2.569 178.495 175.900 0.044 0.000 1.152 405 Y CA 2.254 60.311 58.100 -0.071 0.000 1.136 405 Y CB 0.071 38.300 38.460 -0.385 0.000 0.975 405 Y HN 0.224 nan 8.280 nan 0.000 0.498 406 D N -0.993 119.606 120.400 0.331 0.000 2.087 406 D HA -0.217 4.423 4.640 0.001 0.000 0.203 406 D C 1.890 178.166 176.300 -0.040 0.000 0.976 406 D CA 1.908 55.982 54.000 0.125 0.000 0.865 406 D CB -0.782 40.058 40.800 0.067 0.000 1.005 406 D HN 0.384 nan 8.370 nan 0.000 0.449 407 Y N 0.168 120.529 120.300 0.101 0.000 2.439 407 Y HA 0.122 4.673 4.550 0.001 0.000 0.292 407 Y C 2.232 178.042 175.900 -0.150 0.000 1.130 407 Y CA 0.958 59.083 58.100 0.042 0.000 1.254 407 Y CB -0.252 38.323 38.460 0.191 0.000 1.000 407 Y HN 0.097 nan 8.280 nan 0.000 0.554 408 G N -1.174 107.694 108.800 0.112 0.000 2.610 408 G HA2 -0.223 3.737 3.960 0.001 0.000 0.215 408 G HA3 -0.223 3.737 3.960 0.001 0.000 0.215 408 G C 1.350 176.177 174.900 -0.122 0.000 1.243 408 G CA 0.590 45.648 45.100 -0.070 0.000 0.847 408 G HN 0.354 nan 8.290 nan 0.000 0.560 409 Y N 1.232 121.420 120.300 -0.186 0.000 2.114 409 Y HA 0.105 4.656 4.550 0.001 0.000 0.284 409 Y C 2.574 178.332 175.900 -0.236 0.000 1.119 409 Y CA 1.414 59.351 58.100 -0.271 0.000 1.108 409 Y CB -0.605 37.572 38.460 -0.471 0.000 0.995 409 Y HN 0.063 nan 8.280 nan 0.000 0.491 410 L N 0.139 120.993 121.223 -0.615 0.000 2.083 410 L HA -0.167 4.174 4.340 0.001 0.000 0.209 410 L C 2.399 179.029 176.870 -0.400 0.000 1.083 410 L CA 1.574 56.051 54.840 -0.605 0.000 0.752 410 L CB -0.394 41.516 42.059 -0.249 0.000 0.899 410 L HN 0.160 nan 8.230 nan 0.000 0.433 411 R N -0.455 119.856 120.500 -0.315 0.000 2.297 411 R HA 0.127 4.467 4.340 0.001 0.000 0.197 411 R C 1.185 177.322 176.300 -0.272 0.000 0.943 411 R CA 0.602 56.544 56.100 -0.265 0.000 1.038 411 R CB 0.312 30.467 30.300 -0.242 0.000 0.957 411 R HN 0.447 nan 8.270 nan 0.000 0.484 412 G N 1.079 109.694 108.800 -0.308 0.000 2.141 412 G HA2 -0.240 3.720 3.960 0.001 0.000 0.242 412 G HA3 -0.240 3.720 3.960 0.001 0.000 0.242 412 G C 0.508 175.228 174.900 -0.300 0.000 0.982 412 G CA 0.138 45.079 45.100 -0.266 0.000 0.662 412 G HN 0.306 nan 8.290 nan 0.000 0.527 413 N N -0.796 117.608 118.700 -0.492 0.000 2.416 413 N HA 0.091 4.831 4.740 0.001 0.000 0.177 413 N C 0.650 175.910 175.510 -0.417 0.000 1.036 413 N CA 0.556 53.157 53.050 -0.749 0.000 0.901 413 N CB 0.311 37.692 38.487 -1.844 0.000 0.976 413 N HN 0.430 nan 8.380 nan 0.000 0.444 414 L N 0.945 122.028 121.223 -0.234 0.000 2.334 414 L HA 0.176 4.517 4.340 0.001 0.000 0.275 414 L C 1.744 178.612 176.870 -0.003 0.000 1.036 414 L CA -0.004 54.850 54.840 0.023 0.000 0.807 414 L CB 1.487 43.617 42.059 0.118 0.000 1.231 414 L HN 0.044 nan 8.230 nan 0.000 0.438 415 T N -1.526 113.045 114.554 0.028 0.000 2.867 415 T HA 0.052 4.403 4.350 0.001 0.000 0.268 415 T C 0.641 175.352 174.700 0.020 0.000 1.057 415 T CA 0.928 63.035 62.100 0.011 0.000 1.136 415 T CB -0.223 68.655 68.868 0.016 0.000 0.874 415 T HN 0.672 nan 8.240 nan 0.000 0.466 416 S N -1.357 114.356 115.700 0.021 0.000 2.636 416 S HA 0.504 4.974 4.470 0.001 0.000 0.268 416 S C 0.499 175.018 174.600 -0.135 0.000 1.159 416 S CA -0.918 57.279 58.200 -0.006 0.000 0.815 416 S CB 0.885 64.056 63.200 -0.048 0.000 1.130 416 S HN -0.112 nan 8.310 nan 0.000 0.471 417 M N 0.587 119.950 119.600 -0.395 0.000 2.213 417 M HA 0.034 4.514 4.480 0.001 0.000 0.263 417 M C 1.960 178.048 176.300 -0.353 0.000 1.062 417 M CA 1.671 56.591 55.300 -0.634 0.000 1.105 417 M CB -1.518 30.439 32.600 -1.073 0.000 1.385 417 M HN 0.773 nan 8.290 nan 0.000 0.417 418 M N -0.547 118.911 119.600 -0.236 0.000 2.132 418 M HA -0.213 4.267 4.480 0.001 0.000 0.263 418 M C 2.077 178.330 176.300 -0.079 0.000 1.065 418 M CA 1.507 56.728 55.300 -0.132 0.000 1.122 418 M CB -0.410 32.138 32.600 -0.087 0.000 1.365 418 M HN 0.003 nan 8.290 nan 0.000 0.411 419 K N 1.161 121.525 120.400 -0.060 0.000 2.097 419 K HA -0.097 4.224 4.320 0.001 0.000 0.205 419 K C 1.657 178.256 176.600 -0.002 0.000 1.050 419 K CA 1.197 57.478 56.287 -0.011 0.000 0.938 419 K CB -0.596 31.916 32.500 0.020 0.000 0.718 419 K HN 0.320 nan 8.250 nan 0.000 0.442 420 L N -0.062 121.136 121.223 -0.041 0.000 1.989 420 L HA -0.182 4.158 4.340 0.001 0.000 0.211 420 L C 1.921 178.780 176.870 -0.019 0.000 1.071 420 L CA 1.571 56.392 54.840 -0.032 0.000 0.749 420 L CB -0.367 41.617 42.059 -0.124 0.000 0.890 420 L HN 0.046 nan 8.230 nan 0.000 0.431 421 V N 0.126 120.007 119.914 -0.054 0.000 2.343 421 V HA -0.318 3.802 4.120 0.001 0.000 0.247 421 V C 2.523 178.623 176.094 0.009 0.000 1.051 421 V CA 2.154 64.446 62.300 -0.014 0.000 1.036 421 V CB -0.747 31.056 31.823 -0.032 0.000 0.654 421 V HN 0.615 nan 8.190 nan 0.000 0.451 422 E N 0.590 120.789 120.200 -0.001 0.000 2.070 422 E HA -0.261 4.089 4.350 0.001 0.000 0.197 422 E C 2.105 178.715 176.600 0.016 0.000 1.004 422 E CA 2.406 58.809 56.400 0.005 0.000 0.805 422 E CB -0.182 29.518 29.700 0.000 0.000 0.744 422 E HN 0.792 nan 8.360 nan 0.000 0.451 423 I N -2.270 118.320 120.570 0.034 0.000 3.030 423 I HA -0.032 4.138 4.170 0.001 0.000 0.270 423 I C 1.824 177.976 176.117 0.059 0.000 1.211 423 I CA 0.352 61.684 61.300 0.052 0.000 1.479 423 I CB 0.003 38.052 38.000 0.082 0.000 1.105 423 I HN -0.006 nan 8.210 nan 0.000 0.447 424 Q N 0.529 120.363 119.800 0.058 0.000 2.339 424 Q HA 0.097 4.438 4.340 0.001 0.000 0.205 424 Q C 1.768 177.809 176.000 0.068 0.000 0.925 424 Q CA 1.137 56.981 55.803 0.068 0.000 0.898 424 Q CB 0.831 29.615 28.738 0.077 0.000 1.013 424 Q HN 0.665 nan 8.270 nan 0.000 0.504 425 C N -1.389 117.947 119.300 0.060 0.000 2.726 425 C HA 0.139 4.599 4.460 0.001 0.000 0.380 425 C C 2.577 177.607 174.990 0.068 0.000 1.691 425 C CA 0.298 59.355 59.018 0.065 0.000 2.388 425 C CB -0.219 27.561 27.740 0.067 0.000 2.227 425 C HN 0.358 nan 8.230 nan 0.000 0.647 426 T N 2.146 116.734 114.554 0.056 0.000 2.770 426 T HA -0.089 4.261 4.350 0.001 0.000 0.258 426 T C 1.534 176.231 174.700 -0.004 0.000 1.039 426 T CA 1.529 63.664 62.100 0.059 0.000 1.143 426 T CB -0.443 68.453 68.868 0.047 0.000 0.866 426 T HN 0.336 nan 8.240 nan 0.000 0.428 427 N N 1.688 120.364 118.700 -0.040 0.000 2.104 427 N HA -0.051 4.689 4.740 0.001 0.000 0.190 427 N C -1.024 174.416 175.510 -0.117 0.000 1.024 427 N CA 1.188 54.173 53.050 -0.109 0.000 0.853 427 N CB -1.497 36.930 38.487 -0.100 0.000 1.008 427 N HN 0.321 nan 8.380 nan 0.000 0.424 428 P HA -0.096 nan 4.420 nan 0.000 0.216 428 P C 1.089 178.433 177.300 0.074 0.000 1.153 428 P CA 1.730 64.861 63.100 0.052 0.000 0.858 428 P CB -0.095 31.680 31.700 0.125 0.000 0.789 429 A N -0.221 122.646 122.820 0.078 0.000 1.902 429 A HA -0.235 4.086 4.320 0.001 0.000 0.217 429 A C 2.119 179.762 177.584 0.099 0.000 1.181 429 A CA 1.940 54.053 52.037 0.126 0.000 0.623 429 A CB -1.079 18.043 19.000 0.203 0.000 0.818 429 A HN 0.145 nan 8.150 nan 0.000 0.443 430 K N -0.934 119.453 120.400 -0.022 0.000 2.025 430 K HA -0.015 4.306 4.320 0.001 0.000 0.207 430 K C 1.784 178.169 176.600 -0.358 0.000 1.049 430 K CA 1.255 57.443 56.287 -0.165 0.000 0.933 430 K CB -0.360 31.931 32.500 -0.348 0.000 0.714 430 K HN 0.234 nan 8.250 nan 0.000 0.438 431 V N 0.341 119.988 119.914 -0.445 0.000 2.809 431 V HA -0.150 3.971 4.120 0.001 0.000 0.256 431 V C 0.582 176.329 176.094 -0.579 0.000 1.080 431 V CA 1.338 63.246 62.300 -0.653 0.000 1.102 431 V CB -0.169 31.150 31.823 -0.840 0.000 0.705 431 V HN 0.296 nan 8.190 nan 0.000 0.475 432 Y N -0.495 119.737 120.300 -0.115 0.000 2.681 432 Y HA 0.455 5.006 4.550 0.001 0.000 0.267 432 Y C 1.541 177.402 175.900 -0.065 0.000 1.166 432 Y CA 0.150 58.208 58.100 -0.070 0.000 1.209 432 Y CB 0.588 39.033 38.460 -0.025 0.000 1.161 432 Y HN 0.252 nan 8.280 nan 0.000 0.534 433 G N 1.162 109.996 108.800 0.058 0.000 2.246 433 G HA2 -0.326 3.635 3.960 0.001 0.000 0.273 433 G HA3 -0.326 3.635 3.960 0.001 0.000 0.273 433 G C 0.376 175.324 174.900 0.080 0.000 1.055 433 G CA 0.567 45.712 45.100 0.075 0.000 0.851 433 G HN 0.505 nan 8.290 nan 0.000 0.500 434 M N -1.196 118.463 119.600 0.099 0.000 2.346 434 M HA 0.334 4.815 4.480 0.001 0.000 0.280 434 M C 0.438 176.797 176.300 0.098 0.000 1.075 434 M CA -0.278 55.057 55.300 0.058 0.000 0.989 434 M CB 0.650 33.267 32.600 0.029 0.000 1.447 434 M HN 0.322 nan 8.290 nan 0.000 0.511 435 Y N 2.201 122.528 120.300 0.045 0.000 2.342 435 Y HA 0.379 4.930 4.550 0.001 0.000 0.334 435 Y C -1.734 174.197 175.900 0.051 0.000 1.067 435 Y CA -1.731 56.406 58.100 0.062 0.000 1.128 435 Y CB 1.134 39.673 38.460 0.131 0.000 1.200 435 Y HN -0.006 nan 8.280 nan 0.000 0.464 436 P HA 0.015 nan 4.420 nan 0.000 0.262 436 P C 0.765 177.786 177.300 -0.466 0.000 1.304 436 P CA 0.361 62.775 63.100 -1.143 0.000 0.859 436 P CB 0.379 31.466 31.700 -1.022 0.000 1.310 437 Q N 0.557 120.211 119.800 -0.244 0.000 2.152 437 Q HA -0.153 4.188 4.340 0.001 0.000 0.206 437 Q C -0.004 175.931 176.000 -0.108 0.000 0.985 437 Q CA 1.413 57.129 55.803 -0.144 0.000 0.863 437 Q CB 0.095 28.773 28.738 -0.100 0.000 0.904 437 Q HN 0.090 nan 8.270 nan 0.000 0.422 438 K N -2.705 117.648 120.400 -0.078 0.000 2.395 438 K HA 0.493 4.814 4.320 0.001 0.000 0.247 438 K C -0.164 176.469 176.600 0.056 0.000 0.973 438 K CA 0.299 56.578 56.287 -0.014 0.000 0.828 438 K CB 1.992 34.493 32.500 0.002 0.000 1.272 438 K HN 0.103 nan 8.250 nan 0.000 0.439 439 G N -0.110 108.735 108.800 0.074 0.000 2.259 439 G HA2 -0.205 3.755 3.960 0.001 0.000 0.217 439 G HA3 -0.205 3.755 3.960 0.001 0.000 0.217 439 G C 0.103 175.082 174.900 0.132 0.000 1.001 439 G CA 0.305 45.485 45.100 0.133 0.000 0.627 439 G HN 0.549 nan 8.290 nan 0.000 0.501 440 S N -1.043 114.719 115.700 0.103 0.000 2.900 440 S HA 0.800 5.270 4.470 0.001 0.000 0.320 440 S C -0.549 174.074 174.600 0.039 0.000 1.130 440 S CA -0.481 57.774 58.200 0.092 0.000 0.863 440 S CB 1.431 64.720 63.200 0.148 0.000 1.295 440 S HN 0.550 nan 8.310 nan 0.000 0.596 441 I N 1.940 122.533 120.570 0.038 0.000 2.750 441 I HA 0.350 4.520 4.170 0.001 0.000 0.279 441 I C -1.572 174.553 176.117 0.014 0.000 1.206 441 I CA 0.013 61.322 61.300 0.015 0.000 1.101 441 I CB 0.176 38.184 38.000 0.015 0.000 1.431 441 I HN 0.147 nan 8.210 nan 0.000 0.551 442 L N 5.610 126.825 121.223 -0.012 0.000 2.316 442 L HA 0.522 4.863 4.340 0.001 0.000 0.280 442 L C -2.481 174.369 176.870 -0.033 0.000 1.006 442 L CA -1.942 52.886 54.840 -0.019 0.000 0.836 442 L CB 1.235 43.267 42.059 -0.044 0.000 1.221 442 L HN 0.107 nan 8.230 nan 0.000 0.418 443 P HA 0.048 nan 4.420 nan 0.000 0.263 443 P C 0.987 178.269 177.300 -0.031 0.000 1.195 443 P CA 0.753 63.835 63.100 -0.030 0.000 0.762 443 P CB 0.916 32.603 31.700 -0.023 0.000 0.799 444 G N 1.619 110.401 108.800 -0.031 0.000 2.234 444 G HA2 -0.296 3.664 3.960 0.001 0.000 0.260 444 G HA3 -0.296 3.664 3.960 0.001 0.000 0.260 444 G C 0.720 175.595 174.900 -0.041 0.000 0.987 444 G CA 0.432 45.515 45.100 -0.027 0.000 0.625 444 G HN 0.431 nan 8.290 nan 0.000 0.532 445 V N 0.105 119.986 119.914 -0.056 0.000 2.996 445 V HA 0.288 4.408 4.120 0.001 0.000 0.235 445 V C 1.580 177.620 176.094 -0.091 0.000 1.205 445 V CA 1.279 63.531 62.300 -0.080 0.000 1.225 445 V CB 0.496 32.256 31.823 -0.106 0.000 0.995 445 V HN 0.314 nan 8.190 nan 0.000 0.484 446 S N 1.498 117.148 115.700 -0.083 0.000 2.528 446 S HA 0.189 4.660 4.470 0.001 0.000 0.277 446 S C -0.352 174.213 174.600 -0.059 0.000 1.297 446 S CA -0.322 57.831 58.200 -0.079 0.000 1.052 446 S CB 0.394 63.558 63.200 -0.059 0.000 0.917 446 S HN 0.377 nan 8.310 nan 0.000 0.492 447 D N 2.252 122.617 120.400 -0.057 0.000 2.488 447 D HA 0.136 4.776 4.640 0.001 0.000 0.238 447 D C 0.249 176.529 176.300 -0.034 0.000 1.138 447 D CA 0.234 54.209 54.000 -0.042 0.000 0.873 447 D CB 0.465 41.240 40.800 -0.041 0.000 1.183 447 D HN 0.598 nan 8.370 nan 0.000 0.458 448 A N 3.240 126.043 122.820 -0.029 0.000 3.030 448 A HA 0.076 4.396 4.320 0.001 0.000 0.273 448 A C -0.383 177.189 177.584 -0.020 0.000 1.841 448 A CA -0.261 51.759 52.037 -0.028 0.000 1.479 448 A CB -0.276 18.706 19.000 -0.030 0.000 1.048 448 A HN 0.239 nan 8.150 nan 0.000 0.612 449 D N 1.640 122.029 120.400 -0.017 0.000 2.454 449 D HA 0.573 5.214 4.640 0.001 0.000 0.225 449 D C -0.410 175.884 176.300 -0.010 0.000 1.081 449 D CA 0.395 54.389 54.000 -0.011 0.000 0.864 449 D CB 1.008 41.802 40.800 -0.009 0.000 1.040 449 D HN 0.397 nan 8.370 nan 0.000 0.517 450 L N 0.996 122.209 121.223 -0.016 0.000 2.434 450 L HA 0.605 4.946 4.340 0.001 0.000 0.260 450 L C -0.700 176.146 176.870 -0.040 0.000 0.983 450 L CA -1.176 53.653 54.840 -0.017 0.000 0.820 450 L CB 2.549 44.593 42.059 -0.026 0.000 1.361 450 L HN -0.090 nan 8.230 nan 0.000 0.410 451 V N 2.782 122.668 119.914 -0.046 0.000 2.540 451 V HA 0.506 4.626 4.120 0.001 0.000 0.302 451 V C -0.348 175.671 176.094 -0.125 0.000 1.035 451 V CA -0.365 61.833 62.300 -0.169 0.000 0.873 451 V CB 2.209 33.828 31.823 -0.341 0.000 0.992 451 V HN 0.471 nan 8.190 nan 0.000 0.428 452 I N 3.774 124.246 120.570 -0.163 0.000 2.355 452 I HA 0.389 4.560 4.170 0.001 0.000 0.288 452 I C -0.423 175.573 176.117 -0.202 0.000 0.999 452 I CA -0.148 61.112 61.300 -0.068 0.000 1.163 452 I CB 1.202 39.177 38.000 -0.042 0.000 1.316 452 I HN 0.568 nan 8.210 nan 0.000 0.454 453 W N 4.445 125.708 121.300 -0.061 0.000 2.116 453 W HA 0.382 5.042 4.660 0.001 0.000 0.374 453 W C -0.086 176.291 176.519 -0.237 0.000 1.445 453 W CA 0.019 57.285 57.345 -0.132 0.000 1.582 453 W CB 0.124 29.541 29.460 -0.071 0.000 1.263 453 W HN 0.219 nan 8.180 nan 0.000 0.683 454 Y N 2.076 122.439 120.300 0.106 0.000 2.307 454 Y HA 0.236 4.786 4.550 0.001 0.000 0.324 454 Y C -1.483 174.388 175.900 -0.048 0.000 1.238 454 Y CA -2.199 55.836 58.100 -0.108 0.000 1.280 454 Y CB -0.252 38.085 38.460 -0.205 0.000 1.248 454 Y HN -0.105 nan 8.280 nan 0.000 0.508 455 P HA -0.013 nan 4.420 nan 0.000 0.271 455 P C -0.392 176.959 177.300 0.086 0.000 1.216 455 P CA 0.101 63.223 63.100 0.037 0.000 0.771 455 P CB 1.164 32.901 31.700 0.062 0.000 0.864 456 D N 1.131 121.567 120.400 0.060 0.000 2.137 456 D HA -0.084 4.557 4.640 0.001 0.000 0.202 456 D C 0.502 176.851 176.300 0.081 0.000 0.970 456 D CA 1.424 55.490 54.000 0.110 0.000 0.837 456 D CB 0.017 40.911 40.800 0.156 0.000 0.981 456 D HN 0.440 nan 8.370 nan 0.000 0.475 457 D N 0.489 120.921 120.400 0.053 0.000 2.460 457 D HA 0.045 4.686 4.640 0.001 0.000 0.229 457 D C -0.062 176.274 176.300 0.060 0.000 1.170 457 D CA 0.082 54.110 54.000 0.047 0.000 0.827 457 D CB 0.485 41.303 40.800 0.030 0.000 0.973 457 D HN -0.097 nan 8.370 nan 0.000 0.496 458 S N 0.364 116.121 115.700 0.096 0.000 2.541 458 S HA 0.165 4.635 4.470 0.001 0.000 0.283 458 S C 1.186 175.844 174.600 0.097 0.000 1.196 458 S CA -0.491 57.781 58.200 0.120 0.000 1.062 458 S CB 1.328 64.665 63.200 0.227 0.000 1.009 458 S HN -0.124 nan 8.310 nan 0.000 0.502 459 K N 2.093 122.530 120.400 0.062 0.000 2.379 459 K HA 0.136 4.457 4.320 0.001 0.000 0.194 459 K C 0.499 177.101 176.600 0.003 0.000 1.031 459 K CA 0.120 56.426 56.287 0.030 0.000 1.037 459 K CB -0.027 32.481 32.500 0.014 0.000 0.824 459 K HN 0.512 nan 8.250 nan 0.000 0.516 460 K N 2.265 122.661 120.400 -0.007 0.000 2.401 460 K HA -0.051 4.270 4.320 0.001 0.000 0.278 460 K C -0.256 176.204 176.600 -0.234 0.000 1.018 460 K CA 0.107 56.304 56.287 -0.149 0.000 0.981 460 K CB 0.507 32.868 32.500 -0.232 0.000 0.933 460 K HN -0.115 nan 8.250 nan 0.000 0.477 461 E N 3.223 123.254 120.200 -0.281 0.000 2.289 461 E HA 0.047 4.397 4.350 0.001 0.000 0.278 461 E C -1.637 174.715 176.600 -0.413 0.000 1.032 461 E CA -0.088 56.180 56.400 -0.220 0.000 0.854 461 E CB 0.438 30.056 29.700 -0.136 0.000 1.046 461 E HN 0.379 nan 8.360 nan 0.000 0.409 462 Y N 4.668 124.946 120.300 -0.038 0.000 2.555 462 Y HA 0.236 4.786 4.550 0.001 0.000 0.326 462 Y C 0.577 176.426 175.900 -0.085 0.000 0.984 462 Y CA -0.907 57.170 58.100 -0.038 0.000 1.298 462 Y CB 1.048 39.469 38.460 -0.065 0.000 1.094 462 Y HN 0.582 nan 8.280 nan 0.000 0.500 463 N N 0.390 119.118 118.700 0.047 0.000 2.192 463 N HA -0.201 4.539 4.740 0.001 0.000 0.188 463 N C 1.732 177.239 175.510 -0.006 0.000 1.013 463 N CA 1.854 54.907 53.050 0.004 0.000 0.863 463 N CB -0.168 38.318 38.487 -0.003 0.000 0.990 463 N HN 0.603 nan 8.380 nan 0.000 0.430 464 S N -0.696 115.024 115.700 0.034 0.000 2.496 464 S HA 0.018 4.489 4.470 0.001 0.000 0.224 464 S C 0.838 175.405 174.600 -0.055 0.000 0.996 464 S CA 0.003 58.211 58.200 0.014 0.000 0.927 464 S CB 0.195 63.447 63.200 0.087 0.000 0.774 464 S HN 0.154 nan 8.310 nan 0.000 0.524 465 K N 3.957 124.234 120.400 -0.205 0.000 2.349 465 K HA 0.235 4.555 4.320 0.001 0.000 0.288 465 K C -2.577 173.878 176.600 -0.241 0.000 1.058 465 K CA -1.862 54.153 56.287 -0.453 0.000 0.953 465 K CB 0.486 32.509 32.500 -0.795 0.000 0.997 465 K HN 0.174 nan 8.250 nan 0.000 0.477 466 P HA 0.130 nan 4.420 nan 0.000 0.278 466 P C -0.707 176.506 177.300 -0.146 0.000 1.238 466 P CA -0.274 62.688 63.100 -0.230 0.000 0.794 466 P CB 1.181 32.622 31.700 -0.432 0.000 0.955 467 K N 0.918 121.255 120.400 -0.105 0.000 2.313 467 K HA 0.219 4.539 4.320 0.001 0.000 0.197 467 K C 0.577 177.164 176.600 -0.020 0.000 1.061 467 K CA 0.521 56.780 56.287 -0.047 0.000 0.980 467 K CB 0.099 32.578 32.500 -0.035 0.000 0.888 467 K HN 0.381 nan 8.250 nan 0.000 0.502 468 L N 1.017 122.211 121.223 -0.048 0.000 2.323 468 L HA 0.488 4.828 4.340 0.001 0.000 0.265 468 L C -0.287 176.546 176.870 -0.062 0.000 1.012 468 L CA -1.130 53.703 54.840 -0.012 0.000 0.820 468 L CB 1.888 43.949 42.059 0.002 0.000 1.334 468 L HN -0.118 nan 8.230 nan 0.000 0.427 469 I N 1.498 122.075 120.570 0.012 0.000 2.416 469 I HA 0.270 4.440 4.170 0.001 0.000 0.288 469 I C 0.278 176.403 176.117 0.014 0.000 1.051 469 I CA 0.275 61.575 61.300 0.001 0.000 1.375 469 I CB 1.271 39.360 38.000 0.148 0.000 1.407 469 I HN 0.741 nan 8.210 nan 0.000 0.516 470 T N 0.783 115.310 114.554 -0.044 0.000 2.916 470 T HA 0.280 4.630 4.350 0.001 0.000 0.292 470 T C 0.514 175.205 174.700 -0.015 0.000 1.064 470 T CA -0.858 61.234 62.100 -0.014 0.000 1.011 470 T CB 1.690 70.533 68.868 -0.042 0.000 1.152 470 T HN 0.453 nan 8.240 nan 0.000 0.510 471 N N 0.528 119.242 118.700 0.022 0.000 2.120 471 N HA -0.111 4.629 4.740 0.001 0.000 0.188 471 N C 1.739 177.221 175.510 -0.046 0.000 1.024 471 N CA 1.560 54.626 53.050 0.026 0.000 0.852 471 N CB -0.277 38.281 38.487 0.119 0.000 1.003 471 N HN 0.725 nan 8.380 nan 0.000 0.424 472 K N -0.128 120.254 120.400 -0.031 0.000 2.103 472 K HA -0.143 4.177 4.320 0.001 0.000 0.207 472 K C 1.822 178.379 176.600 -0.072 0.000 1.048 472 K CA 1.001 57.265 56.287 -0.038 0.000 0.930 472 K CB -0.289 32.194 32.500 -0.028 0.000 0.716 472 K HN 0.203 nan 8.250 nan 0.000 0.444 473 L N 1.029 122.187 121.223 -0.108 0.000 2.265 473 L HA -0.130 4.210 4.340 0.001 0.000 0.215 473 L C 1.881 178.694 176.870 -0.095 0.000 1.117 473 L CA 1.307 56.062 54.840 -0.143 0.000 0.782 473 L CB -0.157 41.724 42.059 -0.297 0.000 0.914 473 L HN 0.256 nan 8.230 nan 0.000 0.441 474 M N -1.125 118.367 119.600 -0.180 0.000 2.394 474 M HA -0.036 4.444 4.480 0.001 0.000 0.264 474 M C 0.709 176.866 176.300 -0.238 0.000 1.073 474 M CA 0.571 55.694 55.300 -0.295 0.000 1.111 474 M CB -0.696 31.381 32.600 -0.872 0.000 1.401 474 M HN 0.186 nan 8.290 nan 0.000 0.448 475 E N 1.214 121.322 120.200 -0.152 0.000 2.586 475 E HA -0.214 4.136 4.350 0.001 0.000 0.259 475 E C 0.139 176.747 176.600 0.014 0.000 1.107 475 E CA 0.887 57.254 56.400 -0.055 0.000 0.754 475 E CB -2.384 27.280 29.700 -0.060 0.000 1.335 475 E HN 0.820 nan 8.360 nan 0.000 0.411 476 H N -2.354 116.719 119.070 0.004 0.000 2.915 476 H HA 0.534 5.090 4.556 0.001 0.000 0.298 476 H C 0.750 176.036 175.328 -0.070 0.000 1.516 476 H CA -0.737 55.311 56.048 0.000 0.000 1.480 476 H CB 0.863 30.645 29.762 0.034 0.000 1.847 476 H HN -0.109 nan 8.280 nan 0.000 0.806 477 N N -0.633 118.014 118.700 -0.088 0.000 2.236 477 N HA 0.072 4.812 4.740 0.001 0.000 0.196 477 N C -0.706 174.644 175.510 -0.268 0.000 1.114 477 N CA -0.233 52.620 53.050 -0.328 0.000 0.859 477 N CB 0.054 38.002 38.487 -0.899 0.000 0.982 477 N HN 0.462 nan 8.380 nan 0.000 0.493 478 C N 0.620 119.618 119.300 -0.503 0.000 2.443 478 C HA 0.263 4.723 4.460 0.001 0.000 0.369 478 C C 1.109 176.032 174.990 -0.112 0.000 1.241 478 C CA -0.478 58.270 59.018 -0.451 0.000 2.413 478 C CB 0.435 27.692 27.740 -0.804 0.000 2.451 478 C HN 0.593 nan 8.230 nan 0.000 0.595 479 D N 0.420 120.878 120.400 0.096 0.000 2.340 479 D HA 0.151 4.791 4.640 0.001 0.000 0.217 479 D C -0.323 176.242 176.300 0.441 0.000 1.081 479 D CA 0.217 54.376 54.000 0.266 0.000 0.842 479 D CB -0.264 40.718 40.800 0.303 0.000 0.934 479 D HN 0.708 nan 8.370 nan 0.000 0.511 480 Y N -2.136 118.307 120.300 0.238 0.000 2.609 480 Y HA 0.624 5.175 4.550 0.001 0.000 0.336 480 Y C -1.445 174.585 175.900 0.217 0.000 1.129 480 Y CA -1.306 56.941 58.100 0.245 0.000 1.040 480 Y CB 1.396 40.003 38.460 0.245 0.000 1.310 480 Y HN -0.171 nan 8.280 nan 0.000 0.460 481 T N 3.732 118.365 114.554 0.132 0.000 2.861 481 T HA 0.425 4.775 4.350 0.001 0.000 0.287 481 T C -2.247 172.546 174.700 0.156 0.000 1.003 481 T CA -2.348 59.761 62.100 0.016 0.000 0.977 481 T CB 1.654 70.622 68.868 0.166 0.000 0.996 481 T HN 0.618 nan 8.240 nan 0.000 0.448 482 P HA 0.046 nan 4.420 nan 0.000 0.225 482 P C 0.797 178.016 177.300 -0.135 0.000 1.148 482 P CA 0.857 63.930 63.100 -0.045 0.000 0.779 482 P CB -0.079 31.460 31.700 -0.269 0.000 0.780 483 F N -0.233 119.824 119.950 0.178 0.000 2.732 483 F HA 0.199 4.726 4.527 0.001 0.000 0.303 483 F C 1.125 177.000 175.800 0.125 0.000 1.110 483 F CA -0.711 57.367 58.000 0.131 0.000 1.355 483 F CB -0.580 38.488 39.000 0.114 0.000 1.081 483 F HN -0.135 nan 8.300 nan 0.000 0.565 484 E N 0.871 121.217 120.200 0.242 0.000 2.608 484 E HA 0.211 4.561 4.350 0.001 0.000 0.259 484 E C 1.303 177.994 176.600 0.153 0.000 0.951 484 E CA 1.243 57.752 56.400 0.182 0.000 0.945 484 E CB 0.140 29.943 29.700 0.172 0.000 0.916 484 E HN 0.468 nan 8.360 nan 0.000 0.477 485 G N 3.416 112.289 108.800 0.122 0.000 2.217 485 G HA2 -0.302 3.658 3.960 0.001 0.000 0.246 485 G HA3 -0.302 3.658 3.960 0.001 0.000 0.246 485 G C 0.464 175.431 174.900 0.112 0.000 0.990 485 G CA 0.133 45.292 45.100 0.099 0.000 0.627 485 G HN 0.870 nan 8.290 nan 0.000 0.522 486 I N -0.676 119.986 120.570 0.154 0.000 2.581 486 I HA 0.715 4.886 4.170 0.001 0.000 0.288 486 I C 0.372 176.592 176.117 0.173 0.000 1.047 486 I CA -0.879 60.529 61.300 0.180 0.000 1.374 486 I CB 0.750 38.892 38.000 0.238 0.000 1.423 486 I HN 0.124 nan 8.210 nan 0.000 0.549 487 E N 4.178 124.480 120.200 0.170 0.000 2.414 487 E HA 0.264 4.615 4.350 0.001 0.000 0.263 487 E C -0.876 175.829 176.600 0.174 0.000 1.000 487 E CA -0.008 56.471 56.400 0.132 0.000 0.914 487 E CB 1.317 31.072 29.700 0.091 0.000 0.948 487 E HN 0.508 nan 8.360 nan 0.000 0.444 488 I N 2.599 123.250 120.570 0.136 0.000 2.499 488 I HA 0.089 4.260 4.170 0.001 0.000 0.288 488 I C 0.071 176.270 176.117 0.138 0.000 1.048 488 I CA -0.161 61.252 61.300 0.188 0.000 1.062 488 I CB 1.323 39.498 38.000 0.292 0.000 1.238 488 I HN 0.373 nan 8.210 nan 0.000 0.426 489 K N 4.273 124.744 120.400 0.119 0.000 2.367 489 K HA 0.288 4.608 4.320 0.001 0.000 0.194 489 K C 0.171 176.851 176.600 0.134 0.000 1.027 489 K CA 0.053 56.392 56.287 0.088 0.000 1.075 489 K CB 0.201 32.718 32.500 0.028 0.000 0.845 489 K HN 0.523 nan 8.250 nan 0.000 0.529 490 N N -0.614 118.204 118.700 0.195 0.000 2.927 490 N HA 0.247 4.987 4.740 0.001 0.000 0.248 490 N C -2.109 173.674 175.510 0.456 0.000 1.443 490 N CA -0.487 52.686 53.050 0.204 0.000 0.870 490 N CB 1.869 40.279 38.487 -0.129 0.000 1.444 490 N HN -0.024 nan 8.380 nan 0.000 0.519 491 W N 1.504 122.987 121.300 0.306 0.000 3.419 491 W HA 0.330 4.990 4.660 0.001 0.000 0.298 491 W C -2.867 173.695 176.519 0.072 0.000 1.260 491 W CA -1.148 56.337 57.345 0.234 0.000 1.199 491 W CB 1.417 30.983 29.460 0.176 0.000 1.349 491 W HN 0.323 nan 8.180 nan 0.000 0.557 492 P HA -0.029 nan 4.420 nan 0.000 0.260 492 P C 0.526 177.785 177.300 -0.069 0.000 1.172 492 P CA 0.890 63.602 63.100 -0.646 0.000 0.760 492 P CB 0.430 31.699 31.700 -0.718 0.000 0.773 493 R N 2.903 123.172 120.500 -0.386 0.000 2.128 493 R HA 0.076 4.416 4.340 0.001 0.000 0.211 493 R C -0.249 175.766 176.300 -0.476 0.000 1.067 493 R CA 0.819 56.549 56.100 -0.616 0.000 1.010 493 R CB 0.282 29.844 30.300 -1.230 0.000 0.922 493 R HN 0.411 nan 8.270 nan 0.000 0.457 494 Y N -0.533 119.620 120.300 -0.245 0.000 2.406 494 Y HA 0.326 4.876 4.550 0.001 0.000 0.340 494 Y C -0.851 174.984 175.900 -0.109 0.000 0.975 494 Y CA -0.797 57.225 58.100 -0.131 0.000 1.056 494 Y CB 2.587 40.965 38.460 -0.136 0.000 1.210 494 Y HN -0.212 nan 8.280 nan 0.000 0.448 495 T N 5.124 119.763 114.554 0.142 0.000 2.791 495 T HA 0.573 4.923 4.350 0.001 0.000 0.288 495 T C -0.371 174.374 174.700 0.075 0.000 0.999 495 T CA -0.436 61.690 62.100 0.044 0.000 0.952 495 T CB 0.244 69.106 68.868 -0.010 0.000 0.938 495 T HN 0.355 nan 8.240 nan 0.000 0.444 496 I N 3.344 123.933 120.570 0.032 0.000 2.336 496 I HA 0.442 4.612 4.170 0.001 0.000 0.292 496 I C -0.454 175.672 176.117 0.015 0.000 0.991 496 I CA -0.874 60.444 61.300 0.029 0.000 1.227 496 I CB 1.503 39.504 38.000 0.001 0.000 1.366 496 I HN 0.269 nan 8.210 nan 0.000 0.466 497 V N 6.528 126.458 119.914 0.027 0.000 2.407 497 V HA 0.287 4.408 4.120 0.001 0.000 0.291 497 V C 0.164 176.266 176.094 0.013 0.000 1.018 497 V CA -1.013 61.299 62.300 0.020 0.000 0.842 497 V CB 1.144 32.989 31.823 0.038 0.000 0.996 497 V HN 0.767 nan 8.190 nan 0.000 0.426 498 K N 3.754 124.154 120.400 0.000 0.000 3.148 498 K HA -0.240 4.080 4.320 0.001 0.000 0.267 498 K C 1.112 177.711 176.600 -0.002 0.000 0.996 498 K CA 0.633 56.917 56.287 -0.005 0.000 0.737 498 K CB -1.424 31.073 32.500 -0.005 0.000 1.308 498 K HN 1.609 nan 8.250 nan 0.000 0.470 499 G N -0.203 108.594 108.800 -0.004 0.000 2.162 499 G HA2 -0.351 3.609 3.960 0.001 0.000 0.260 499 G HA3 -0.351 3.609 3.960 0.001 0.000 0.260 499 G C -0.137 174.767 174.900 0.006 0.000 0.976 499 G CA 1.000 46.098 45.100 -0.004 0.000 0.655 499 G HN 0.388 nan 8.290 nan 0.000 0.533 500 K N -0.307 120.102 120.400 0.016 0.000 2.316 500 K HA 0.642 4.962 4.320 0.001 0.000 0.251 500 K C 0.161 176.790 176.600 0.048 0.000 0.934 500 K CA -1.083 55.221 56.287 0.029 0.000 0.802 500 K CB 1.964 34.481 32.500 0.029 0.000 1.171 500 K HN 0.153 nan 8.250 nan 0.000 0.426 501 I N 2.915 123.524 120.570 0.064 0.000 2.436 501 I HA -0.040 4.130 4.170 0.001 0.000 0.289 501 I C 0.803 176.982 176.117 0.103 0.000 1.083 501 I CA -0.064 61.297 61.300 0.102 0.000 1.372 501 I CB 0.622 38.705 38.000 0.138 0.000 1.408 501 I HN 0.444 nan 8.210 nan 0.000 0.516 502 V N 6.472 126.462 119.914 0.126 0.000 3.570 502 V HA 0.059 4.180 4.120 0.001 0.000 0.257 502 V C -0.308 175.912 176.094 0.210 0.000 1.272 502 V CA 0.187 62.583 62.300 0.160 0.000 1.079 502 V CB -0.048 31.875 31.823 0.168 0.000 0.829 502 V HN 0.623 nan 8.190 nan 0.000 0.454 503 Y N 1.352 121.662 120.300 0.017 0.000 2.346 503 Y HA 0.594 5.145 4.550 0.001 0.000 0.332 503 Y C -0.451 175.400 175.900 -0.082 0.000 0.985 503 Y CA -1.252 56.832 58.100 -0.026 0.000 1.112 503 Y CB 1.328 39.762 38.460 -0.044 0.000 1.170 503 Y HN -0.077 nan 8.280 nan 0.000 0.447 504 K N 5.498 125.614 120.400 -0.473 0.000 2.579 504 K HA 0.265 4.586 4.320 0.001 0.000 0.250 504 K C -0.807 175.402 176.600 -0.652 0.000 0.952 504 K CA -0.358 55.580 56.287 -0.583 0.000 0.857 504 K CB 0.939 33.214 32.500 -0.376 0.000 1.123 504 K HN 0.920 nan 8.250 nan 0.000 0.433 505 E N 2.343 122.152 120.200 -0.652 0.000 2.228 505 E HA -0.282 4.069 4.350 0.001 0.000 0.213 505 E C 0.487 176.890 176.600 -0.328 0.000 1.282 505 E CA 0.871 57.061 56.400 -0.351 0.000 0.707 505 E CB -1.276 28.285 29.700 -0.232 0.000 1.150 505 E HN 1.170 nan 8.360 nan 0.000 0.362 506 G N -0.534 107.930 108.800 -0.560 0.000 2.213 506 G HA2 -0.278 3.683 3.960 0.001 0.000 0.236 506 G HA3 -0.278 3.683 3.960 0.001 0.000 0.236 506 G C -0.061 174.649 174.900 -0.317 0.000 0.991 506 G CA 0.265 45.176 45.100 -0.314 0.000 0.629 506 G HN 0.245 nan 8.290 nan 0.000 0.517 507 E N 0.706 120.623 120.200 -0.471 0.000 2.166 507 E HA 0.515 4.866 4.350 0.001 0.000 0.275 507 E C 0.143 176.649 176.600 -0.157 0.000 0.941 507 E CA -0.761 55.507 56.400 -0.219 0.000 0.784 507 E CB 1.657 31.262 29.700 -0.159 0.000 1.115 507 E HN 0.212 nan 8.360 nan 0.000 0.399 508 I N 3.295 123.894 120.570 0.048 0.000 2.474 508 I HA 0.128 4.299 4.170 0.001 0.000 0.287 508 I C 0.454 176.635 176.117 0.107 0.000 1.048 508 I CA -0.386 60.997 61.300 0.137 0.000 1.383 508 I CB 0.531 38.594 38.000 0.104 0.000 1.412 508 I HN 0.353 nan 8.210 nan 0.000 0.531 509 L N 7.083 128.389 121.223 0.138 0.000 2.360 509 L HA 0.261 4.602 4.340 0.001 0.000 0.265 509 L C 1.501 178.469 176.870 0.163 0.000 1.066 509 L CA -0.324 54.585 54.840 0.116 0.000 0.929 509 L CB 0.507 42.613 42.059 0.078 0.000 1.306 509 L HN 0.650 nan 8.230 nan 0.000 0.434 510 K N 1.489 122.002 120.400 0.187 0.000 2.160 510 K HA -0.215 4.105 4.320 0.001 0.000 0.206 510 K C 1.301 177.925 176.600 0.040 0.000 1.047 510 K CA 1.847 58.239 56.287 0.175 0.000 0.930 510 K CB 0.390 32.987 32.500 0.162 0.000 0.720 510 K HN 0.565 nan 8.250 nan 0.000 0.450 511 E N 0.288 120.514 120.200 0.043 0.000 2.265 511 E HA -0.136 4.214 4.350 0.001 0.000 0.196 511 E C 0.979 177.584 176.600 0.008 0.000 0.996 511 E CA 0.979 57.389 56.400 0.016 0.000 0.832 511 E CB -0.055 29.659 29.700 0.023 0.000 0.756 511 E HN 0.284 nan 8.360 nan 0.000 0.491 512 N N 0.324 119.040 118.700 0.026 0.000 2.270 512 N HA 0.163 4.903 4.740 0.001 0.000 0.198 512 N C -0.565 174.948 175.510 0.006 0.000 1.117 512 N CA 0.286 53.351 53.050 0.024 0.000 0.845 512 N CB 0.599 39.115 38.487 0.049 0.000 0.980 512 N HN 0.111 nan 8.380 nan 0.000 0.486 513 A N 0.822 123.612 122.820 -0.051 0.000 2.395 513 A HA 0.190 4.510 4.320 0.001 0.000 0.286 513 A C 0.108 177.615 177.584 -0.128 0.000 1.193 513 A CA 0.115 52.058 52.037 -0.157 0.000 0.852 513 A CB 0.033 18.717 19.000 -0.527 0.000 1.118 513 A HN 0.013 nan 8.150 nan 0.000 0.524 514 D N 2.183 122.542 120.400 -0.068 0.000 2.865 514 D HA 0.242 4.882 4.640 0.001 0.000 0.347 514 D C 0.672 176.964 176.300 -0.013 0.000 1.498 514 D CA 0.396 54.372 54.000 -0.040 0.000 0.787 514 D CB -0.032 40.756 40.800 -0.021 0.000 1.190 514 D HN 0.646 nan 8.370 nan 0.000 0.445 515 G N 0.884 109.678 108.800 -0.009 0.000 2.491 515 G HA2 0.405 4.365 3.960 0.001 0.000 0.242 515 G HA3 0.405 4.365 3.960 0.001 0.000 0.242 515 G C -0.121 174.828 174.900 0.080 0.000 1.266 515 G CA -0.053 45.072 45.100 0.042 0.000 0.844 515 G HN 0.143 nan 8.290 nan 0.000 0.571 516 K N -0.317 120.136 120.400 0.090 0.000 2.482 516 K HA 0.294 4.614 4.320 0.001 0.000 0.257 516 K C -1.186 175.442 176.600 0.046 0.000 0.969 516 K CA -0.911 55.437 56.287 0.101 0.000 0.842 516 K CB 2.198 34.718 32.500 0.034 0.000 1.359 516 K HN 0.523 nan 8.250 nan 0.000 0.441 517 Y N 1.848 122.087 120.300 -0.102 0.000 2.610 517 Y HA 0.175 4.725 4.550 0.001 0.000 0.332 517 Y C -0.865 174.839 175.900 -0.327 0.000 1.201 517 Y CA -0.075 57.728 58.100 -0.495 0.000 1.465 517 Y CB 0.379 38.646 38.460 -0.322 0.000 1.283 517 Y HN 0.360 nan 8.280 nan 0.000 0.563 518 L N 7.427 127.866 121.223 -1.307 0.000 2.280 518 L HA 0.380 4.720 4.340 0.001 0.000 0.287 518 L C -0.754 175.493 176.870 -1.038 0.000 1.023 518 L CA -0.462 53.853 54.840 -0.876 0.000 0.819 518 L CB 0.849 42.574 42.059 -0.556 0.000 1.212 518 L HN 0.571 nan 8.230 nan 0.000 0.420 519 K N 5.560 125.607 120.400 -0.588 0.000 2.312 519 K HA 0.382 4.702 4.320 0.001 0.000 0.287 519 K C -0.399 176.053 176.600 -0.247 0.000 1.062 519 K CA -0.346 55.730 56.287 -0.352 0.000 0.934 519 K CB 0.883 33.263 32.500 -0.199 0.000 1.027 519 K HN 0.529 nan 8.250 nan 0.000 0.478 520 R N 0.900 121.290 120.500 -0.184 0.000 2.643 520 R HA 0.366 4.706 4.340 0.001 0.000 0.272 520 R C 0.562 176.893 176.300 0.052 0.000 0.995 520 R CA -0.770 55.281 56.100 -0.082 0.000 1.032 520 R CB 1.299 31.549 30.300 -0.083 0.000 1.126 520 R HN 0.680 nan 8.270 nan 0.000 0.505 521 G N 0.784 109.645 108.800 0.101 0.000 2.532 521 G HA2 0.222 4.182 3.960 0.001 0.000 0.291 521 G HA3 0.222 4.182 3.960 0.001 0.000 0.291 521 G C -0.650 174.342 174.900 0.152 0.000 1.349 521 G CA -0.600 44.631 45.100 0.219 0.000 1.038 521 G HN 0.222 nan 8.290 nan 0.000 0.518 522 K N 0.473 120.911 120.400 0.063 0.000 2.249 522 K HA 0.265 4.586 4.320 0.001 0.000 0.280 522 K C 0.187 176.795 176.600 0.013 0.000 1.033 522 K CA -0.167 56.084 56.287 -0.061 0.000 0.946 522 K CB 1.512 33.943 32.500 -0.115 0.000 1.005 522 K HN 0.336 nan 8.250 nan 0.000 0.469 523 S N 2.505 118.183 115.700 -0.037 0.000 2.528 523 S HA 0.086 4.556 4.470 0.001 0.000 0.277 523 S C 1.201 175.765 174.600 -0.060 0.000 1.297 523 S CA -0.670 57.480 58.200 -0.082 0.000 1.052 523 S CB -0.001 63.070 63.200 -0.215 0.000 0.917 523 S HN 0.461 nan 8.310 nan 0.000 0.492 524 F N 4.069 123.995 119.950 -0.040 0.000 2.546 524 F HA 0.119 4.647 4.527 0.001 0.000 0.298 524 F C 1.487 177.262 175.800 -0.042 0.000 1.120 524 F CA 0.671 58.652 58.000 -0.032 0.000 1.456 524 F CB -0.502 38.484 39.000 -0.023 0.000 1.088 524 F HN 0.510 nan 8.300 nan 0.000 0.572 525 M N -0.649 118.550 119.600 -0.670 0.000 2.558 525 M HA 0.024 4.504 4.480 0.001 0.000 0.255 525 M C 0.737 176.974 176.300 -0.105 0.000 1.113 525 M CA 0.422 55.440 55.300 -0.470 0.000 1.097 525 M CB -0.130 31.996 32.600 -0.791 0.000 1.426 525 M HN 0.297 nan 8.290 nan 0.000 0.488 526 C N 0.671 119.916 119.300 -0.091 0.000 3.000 526 C HA 0.165 4.625 4.460 0.001 0.000 0.286 526 C C 1.382 176.380 174.990 0.013 0.000 1.343 526 C CA -0.643 58.379 59.018 0.007 0.000 1.742 526 C CB -1.489 26.245 27.740 -0.010 0.000 2.200 526 C HN 0.476 nan 8.230 nan 0.000 0.621 527 T N 0.950 115.514 114.554 0.016 0.000 2.932 527 T HA 0.271 4.621 4.350 0.001 0.000 0.312 527 T C -2.309 172.393 174.700 0.003 0.000 1.071 527 T CA -0.638 61.475 62.100 0.022 0.000 1.128 527 T CB 0.492 69.384 68.868 0.041 0.000 0.984 527 T HN 0.176 nan 8.240 nan 0.000 0.549 528 P HA 0.289 nan 4.420 nan 0.000 0.276 528 P C 0.548 177.804 177.300 -0.074 0.000 1.244 528 P CA -0.730 62.335 63.100 -0.058 0.000 0.801 528 P CB 0.928 32.594 31.700 -0.057 0.000 1.006 529 K N 0.767 121.087 120.400 -0.133 0.000 2.288 529 K HA -0.038 4.282 4.320 0.001 0.000 0.201 529 K C 0.062 176.584 176.600 -0.131 0.000 1.048 529 K CA 0.449 56.660 56.287 -0.127 0.000 0.956 529 K CB -0.428 31.976 32.500 -0.160 0.000 0.746 529 K HN 0.488 nan 8.250 nan 0.000 0.461 530 N N 1.583 120.168 118.700 -0.192 0.000 2.758 530 N HA -0.190 4.550 4.740 0.001 0.000 0.248 530 N C -0.721 174.678 175.510 -0.185 0.000 1.076 530 N CA 0.802 53.774 53.050 -0.130 0.000 0.696 530 N CB -1.140 37.364 38.487 0.028 0.000 0.979 530 N HN 0.428 nan 8.380 nan 0.000 0.550 531 E N -0.583 119.335 120.200 -0.470 0.000 2.234 531 E HA 0.521 4.871 4.350 0.001 0.000 0.266 531 E C -1.001 175.288 176.600 -0.518 0.000 0.877 531 E CA -0.595 55.623 56.400 -0.303 0.000 0.758 531 E CB 1.237 30.824 29.700 -0.190 0.000 1.170 531 E HN 0.164 nan 8.360 nan 0.000 0.415 532 W N 2.339 123.648 121.300 0.014 0.000 2.962 532 W HA 0.306 4.966 4.660 0.001 0.000 0.341 532 W C 0.631 177.179 176.519 0.048 0.000 1.155 532 W CA -0.718 56.653 57.345 0.043 0.000 1.165 532 W CB 1.065 30.553 29.460 0.047 0.000 1.435 532 W HN 0.263 nan 8.180 nan 0.000 0.546 533 V N 0.434 120.545 119.914 0.328 0.000 2.488 533 V HA -0.049 4.072 4.120 0.001 0.000 0.246 533 V C 0.935 177.139 176.094 0.183 0.000 1.046 533 V CA 1.989 64.407 62.300 0.198 0.000 1.053 533 V CB -0.834 31.088 31.823 0.165 0.000 0.679 533 V HN 0.701 nan 8.190 nan 0.000 0.458 534 T N -2.081 112.612 114.554 0.232 0.000 2.724 534 T HA 0.309 4.659 4.350 0.001 0.000 0.274 534 T C 0.873 175.659 174.700 0.143 0.000 0.984 534 T CA 0.075 62.273 62.100 0.163 0.000 1.024 534 T CB 1.843 70.794 68.868 0.139 0.000 1.320 534 T HN 0.403 nan 8.240 nan 0.000 0.555 535 E N -0.809 119.444 120.200 0.088 0.000 2.418 535 E HA -0.029 4.321 4.350 0.001 0.000 0.197 535 E C 0.134 176.711 176.600 -0.038 0.000 1.026 535 E CA -0.431 55.981 56.400 0.019 0.000 0.862 535 E CB -0.101 29.608 29.700 0.014 0.000 0.799 535 E HN 0.627 nan 8.360 nan 0.000 0.518 536 W N 2.555 123.753 121.300 -0.171 0.000 2.223 536 W HA 0.088 4.749 4.660 0.001 0.000 0.334 536 W C -0.184 175.999 176.519 -0.561 0.000 1.334 536 W CA -0.009 57.180 57.345 -0.261 0.000 1.246 536 W CB 0.576 29.935 29.460 -0.168 0.000 1.184 536 W HN -0.150 nan 8.180 nan 0.000 0.563 537 R N 5.692 125.320 120.500 -1.452 0.000 2.744 537 R HA 0.393 4.734 4.340 0.001 0.000 0.279 537 R C -2.506 172.609 176.300 -1.975 0.000 0.977 537 R CA -2.393 52.630 56.100 -1.795 0.000 0.906 537 R CB 0.854 30.508 30.300 -1.077 0.000 1.197 537 R HN 0.291 nan 8.270 nan 0.000 0.463 538 P HA 0.105 nan 4.420 nan 0.000 0.266 538 P C 0.547 177.440 177.300 -0.679 0.000 1.195 538 P CA -0.126 62.394 63.100 -0.967 0.000 0.768 538 P CB 0.776 31.918 31.700 -0.930 0.000 0.838 539 K N 1.818 122.082 120.400 -0.227 0.000 2.089 539 K HA -0.233 4.088 4.320 0.001 0.000 0.210 539 K C 1.842 178.366 176.600 -0.127 0.000 1.048 539 K CA 2.106 58.328 56.287 -0.109 0.000 0.926 539 K CB -0.567 31.985 32.500 0.085 0.000 0.714 539 K HN 0.654 nan 8.250 nan 0.000 0.448 540 Y N 0.897 121.160 120.300 -0.061 0.000 2.571 540 Y HA 0.108 4.659 4.550 0.001 0.000 0.294 540 Y C 0.648 176.497 175.900 -0.084 0.000 1.141 540 Y CA -0.183 57.880 58.100 -0.061 0.000 1.308 540 Y CB -0.448 37.980 38.460 -0.054 0.000 1.002 540 Y HN -0.129 nan 8.280 nan 0.000 0.551 541 E N 0.000 119.935 120.200 -0.441 0.000 2.725 541 E HA 0.000 4.350 4.350 0.001 0.000 0.291 541 E CA 0.000 56.226 56.400 -0.290 0.000 0.976 541 E CB 0.000 29.451 29.700 -0.415 0.000 0.812 541 E HN 0.000 nan 8.360 nan 0.000 0.440