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 2r0p_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNAPIETDVL ILGGGPVGMA LALDLAHRQV GHLVVEQTDG TITHPRVGTI DATA SEQUENCE GPRSMELFRR WGVAKQIRTA GWPGDHPLDA AWVTRVGGHE VYRIPLGTAD DATA SEQUENCE TRATPEHTPE PDAICPQHWL APLLAEAVGE RLRTRSRLDS FEQRDDHVRA DATA SEQUENCE TITDLRTGAT RAVHARYLVA CDGASSPTRK ALGIDAPPRH RTQVFRNILF DATA SEQUENCE RAPELRSLLG ERAALFFFLM LXXXLRFPLR ALDGRGLYRL TVGVDXXXXX DATA SEQUENCE TMDSFELVRR AVAFDTEIEV LSDSEWHLTH RVADSFSAGR VFLTGDAAHT DATA SEQUENCE LSPSGGFGMN TGIGSAADLG WKLAATLRGW AGPGLLATYE EERRPVAITS DATA SEQUENCE LEEANVNLRR TMDRELPPGL HDDGPRGERI RAAVAEKLER SGARREFDAP DATA SEQUENCE GIHFGHTYRS SIVCGEXXXX XXXXXWRPSA RPGARAPHAW LTPTTSTLDL DATA SEQUENCE FGRGFVLLSF GTTDGVEAVT RAFADRHVPL ETVTCHAPEI HALYERAHVL DATA SEQUENCE VRPDGHVAWR GDHLPAELGG LVDKVRGAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.291 176.300 -0.015 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.010 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.010 0.000 1.302 2 N N 1.317 120.007 118.700 -0.016 0.000 2.529 2 N HA 0.978 5.773 4.740 0.092 0.000 0.278 2 N C 0.401 175.891 175.510 -0.034 0.000 1.146 2 N CA 0.166 53.202 53.050 -0.024 0.000 0.980 2 N CB 1.277 39.752 38.487 -0.021 0.000 1.124 2 N HN 2.338 nan 8.380 nan 0.000 0.458 3 A N 1.217 124.009 122.820 -0.047 0.000 2.256 3 A HA 0.795 5.170 4.320 0.092 0.000 0.318 3 A C -2.143 175.378 177.584 -0.106 0.000 1.103 3 A CA -1.219 50.775 52.037 -0.072 0.000 0.860 3 A CB -0.269 18.688 19.000 -0.072 0.000 1.182 3 A HN 0.666 nan 8.150 nan 0.000 0.501 4 P HA 0.196 nan 4.420 nan 0.000 0.265 4 P C -0.836 176.332 177.300 -0.220 0.000 1.193 4 P CA 0.482 63.404 63.100 -0.297 0.000 0.765 4 P CB 0.194 31.477 31.700 -0.694 0.000 0.823 5 I N 2.741 123.227 120.570 -0.140 0.000 2.396 5 I HA 0.177 4.402 4.170 0.092 0.000 0.292 5 I C 0.786 176.870 176.117 -0.054 0.000 0.999 5 I CA -0.252 61.002 61.300 -0.076 0.000 1.310 5 I CB 0.784 38.764 38.000 -0.034 0.000 1.404 5 I HN 0.281 nan 8.210 nan 0.000 0.496 6 E N 3.826 123.999 120.200 -0.044 0.000 2.171 6 E HA 0.553 4.958 4.350 0.092 0.000 0.271 6 E C -0.789 175.808 176.600 -0.005 0.000 0.916 6 E CA -0.578 55.812 56.400 -0.015 0.000 0.774 6 E CB 2.535 32.214 29.700 -0.035 0.000 1.128 6 E HN 0.473 nan 8.360 nan 0.000 0.403 7 T N 1.309 115.872 114.554 0.016 0.000 2.942 7 T HA 0.101 4.506 4.350 0.092 0.000 0.327 7 T C -0.309 174.414 174.700 0.038 0.000 1.360 7 T CA -0.584 61.525 62.100 0.016 0.000 1.055 7 T CB 1.415 70.288 68.868 0.009 0.000 1.261 7 T HN 0.277 nan 8.240 nan 0.000 0.485 8 D N 1.100 121.530 120.400 0.050 0.000 2.117 8 D HA 0.067 4.762 4.640 0.092 0.000 0.198 8 D C 0.622 176.991 176.300 0.115 0.000 0.982 8 D CA 1.411 55.456 54.000 0.075 0.000 0.828 8 D CB 0.223 41.074 40.800 0.085 0.000 0.967 8 D HN 0.313 nan 8.370 nan 0.000 0.464 9 V N 1.222 121.204 119.914 0.114 0.000 2.577 9 V HA 0.273 4.448 4.120 0.092 0.000 0.303 9 V C -0.803 175.348 176.094 0.095 0.000 1.042 9 V CA -1.009 61.358 62.300 0.113 0.000 0.872 9 V CB 2.433 34.294 31.823 0.063 0.000 0.998 9 V HN -0.072 nan 8.190 nan 0.000 0.423 10 L N 6.776 128.041 121.223 0.071 0.000 2.272 10 L HA 0.635 5.030 4.340 0.092 0.000 0.289 10 L C -0.490 176.395 176.870 0.025 0.000 1.032 10 L CA 0.160 55.031 54.840 0.051 0.000 0.810 10 L CB 0.944 43.029 42.059 0.043 0.000 1.205 10 L HN 0.551 nan 8.230 nan 0.000 0.422 11 I N 6.323 126.908 120.570 0.026 0.000 2.312 11 I HA 0.234 4.459 4.170 0.092 0.000 0.290 11 I C -0.262 175.853 176.117 -0.003 0.000 1.008 11 I CA -0.384 60.913 61.300 -0.005 0.000 1.226 11 I CB 1.308 39.301 38.000 -0.012 0.000 1.371 11 I HN 0.497 nan 8.210 nan 0.000 0.468 12 L N 7.607 128.818 121.223 -0.019 0.000 2.312 12 L HA 0.599 4.994 4.340 0.092 0.000 0.287 12 L C 0.228 177.092 176.870 -0.011 0.000 1.091 12 L CA 0.083 54.916 54.840 -0.012 0.000 0.846 12 L CB 0.201 42.243 42.059 -0.027 0.000 1.219 12 L HN 0.903 nan 8.230 nan 0.000 0.439 13 G N 2.587 111.387 108.800 -0.001 0.000 3.400 13 G HA2 -0.076 3.939 3.960 0.092 0.000 0.679 13 G HA3 -0.076 3.939 3.960 0.092 0.000 0.679 13 G C 0.018 174.918 174.900 0.000 0.000 1.239 13 G CA -0.430 44.670 45.100 -0.000 0.000 1.049 13 G HN 0.867 nan 8.290 nan 0.000 0.539 14 G N 0.682 109.487 108.800 0.007 0.000 3.702 14 G HA2 0.638 4.653 3.960 0.092 0.000 0.288 14 G HA3 0.638 4.653 3.960 0.092 0.000 0.288 14 G C 0.945 175.852 174.900 0.013 0.000 1.193 14 G CA 0.927 46.034 45.100 0.010 0.000 0.952 14 G HN 1.251 nan 8.290 nan 0.000 0.544 15 G N 0.421 109.227 108.800 0.009 0.000 2.588 15 G HA2 0.409 4.424 3.960 0.092 0.000 0.278 15 G HA3 0.409 4.424 3.960 0.092 0.000 0.278 15 G C -0.960 173.956 174.900 0.027 0.000 1.307 15 G CA -0.869 44.240 45.100 0.014 0.000 1.016 15 G HN -0.002 nan 8.290 nan 0.000 0.503 16 P HA -0.137 nan 4.420 nan 0.000 0.215 16 P C 2.118 179.469 177.300 0.085 0.000 1.163 16 P CA 1.148 64.298 63.100 0.084 0.000 0.894 16 P CB 0.002 31.757 31.700 0.091 0.000 0.791 17 V N -0.275 119.670 119.914 0.052 0.000 2.295 17 V HA -0.178 3.997 4.120 0.092 0.000 0.246 17 V C 2.602 178.684 176.094 -0.019 0.000 1.049 17 V CA 2.488 64.804 62.300 0.027 0.000 1.024 17 V CB -1.997 29.837 31.823 0.017 0.000 0.648 17 V HN 0.193 nan 8.190 nan 0.000 0.447 18 G N -0.472 108.314 108.800 -0.023 0.000 2.422 18 G HA2 -0.231 3.784 3.960 0.092 0.000 0.218 18 G HA3 -0.231 3.784 3.960 0.092 0.000 0.218 18 G C 1.514 176.374 174.900 -0.065 0.000 1.146 18 G CA 0.964 46.036 45.100 -0.048 0.000 0.769 18 G HN 0.324 nan 8.290 nan 0.000 0.547 19 M N 1.079 120.661 119.600 -0.030 0.000 2.200 19 M HA 0.156 4.691 4.480 0.092 0.000 0.265 19 M C 2.976 179.212 176.300 -0.106 0.000 1.066 19 M CA 0.978 56.259 55.300 -0.032 0.000 1.127 19 M CB -1.226 31.392 32.600 0.031 0.000 1.379 19 M HN 0.304 nan 8.290 nan 0.000 0.420 20 A N 0.374 123.141 122.820 -0.088 0.000 1.902 20 A HA -0.159 4.216 4.320 0.092 0.000 0.217 20 A C 2.226 179.454 177.584 -0.593 0.000 1.181 20 A CA 1.421 53.294 52.037 -0.273 0.000 0.623 20 A CB -0.918 18.052 19.000 -0.049 0.000 0.818 20 A HN 0.417 nan 8.150 nan 0.000 0.443 21 L N -0.220 120.795 121.223 -0.345 0.000 2.046 21 L HA -0.033 4.362 4.340 0.092 0.000 0.208 21 L C 2.620 179.213 176.870 -0.461 0.000 1.077 21 L CA 2.183 56.808 54.840 -0.359 0.000 0.747 21 L CB -0.868 41.049 42.059 -0.236 0.000 0.896 21 L HN 0.334 nan 8.230 nan 0.000 0.432 22 A N -0.466 122.108 122.820 -0.409 0.000 1.902 22 A HA -0.171 4.204 4.320 0.092 0.000 0.217 22 A C 2.282 179.532 177.584 -0.556 0.000 1.181 22 A CA 1.976 53.695 52.037 -0.530 0.000 0.623 22 A CB -0.888 17.984 19.000 -0.214 0.000 0.818 22 A HN 0.510 nan 8.150 nan 0.000 0.443 23 L N -0.837 120.065 121.223 -0.535 0.000 2.046 23 L HA -0.220 4.175 4.340 0.092 0.000 0.208 23 L C 2.416 178.787 176.870 -0.831 0.000 1.077 23 L CA 1.954 56.437 54.840 -0.595 0.000 0.747 23 L CB -0.583 41.092 42.059 -0.639 0.000 0.896 23 L HN 0.480 nan 8.230 nan 0.000 0.432 24 D N -0.018 119.678 120.400 -1.174 0.000 2.117 24 D HA -0.170 4.525 4.640 0.092 0.000 0.198 24 D C 2.341 178.533 176.300 -0.179 0.000 0.982 24 D CA 0.971 54.612 54.000 -0.599 0.000 0.828 24 D CB 0.077 40.715 40.800 -0.270 0.000 0.967 24 D HN 0.169 nan 8.370 nan 0.000 0.464 25 L N -0.020 121.012 121.223 -0.318 0.000 2.093 25 L HA -0.087 4.308 4.340 0.092 0.000 0.208 25 L C 2.560 179.369 176.870 -0.102 0.000 1.085 25 L CA 1.030 55.730 54.840 -0.233 0.000 0.755 25 L CB -0.533 41.266 42.059 -0.432 0.000 0.904 25 L HN 0.101 nan 8.230 nan 0.000 0.435 26 A N -0.395 122.350 122.820 -0.124 0.000 1.898 26 A HA -0.295 4.080 4.320 0.092 0.000 0.216 26 A C 2.108 179.755 177.584 0.105 0.000 1.181 26 A CA 1.840 53.931 52.037 0.090 0.000 0.620 26 A CB -0.869 18.200 19.000 0.114 0.000 0.819 26 A HN 0.512 nan 8.150 nan 0.000 0.442 27 H N -0.303 118.781 119.070 0.023 0.000 2.457 27 H HA 0.010 4.604 4.556 0.064 0.000 0.297 27 H C 1.729 177.132 175.328 0.125 0.000 1.092 27 H CA 1.742 57.862 56.048 0.121 0.000 1.309 27 H CB -0.027 29.887 29.762 0.253 0.000 1.382 27 H HN 0.428 nan 8.280 nan 0.000 0.535 28 R N -0.228 120.302 120.500 0.051 0.000 2.393 28 R HA 0.084 4.479 4.340 0.092 0.000 0.244 28 R C -0.024 176.303 176.300 0.045 0.000 0.920 28 R CA 0.158 56.278 56.100 0.034 0.000 1.076 28 R CB 0.658 31.032 30.300 0.123 0.000 1.119 28 R HN 0.222 nan 8.270 nan 0.000 0.524 29 Q N -0.046 119.782 119.800 0.045 0.000 2.478 29 Q HA -0.142 4.253 4.340 0.092 0.000 0.286 29 Q C -1.050 174.998 176.000 0.080 0.000 1.299 29 Q CA 0.694 56.535 55.803 0.063 0.000 0.826 29 Q CB -1.796 26.970 28.738 0.047 0.000 1.199 29 Q HN 0.127 nan 8.270 nan 0.000 0.451 30 V N -0.216 119.757 119.914 0.098 0.000 2.427 30 V HA 0.631 4.806 4.120 0.092 0.000 0.286 30 V C 1.186 177.387 176.094 0.177 0.000 1.034 30 V CA -0.084 62.277 62.300 0.103 0.000 0.893 30 V CB 1.867 33.726 31.823 0.061 0.000 0.982 30 V HN 0.396 nan 8.190 nan 0.000 0.452 31 G N 4.462 113.330 108.800 0.114 0.000 2.378 31 G HA2 0.485 4.500 3.960 0.092 0.000 0.255 31 G HA3 0.485 4.500 3.960 0.092 0.000 0.255 31 G C -0.283 174.685 174.900 0.114 0.000 1.270 31 G CA 0.045 45.186 45.100 0.069 0.000 0.876 31 G HN 0.987 nan 8.290 nan 0.000 0.521 32 H N 0.145 119.212 119.070 -0.006 0.000 2.960 32 H HA 0.699 5.307 4.556 0.087 0.000 0.323 32 H C -2.028 173.293 175.328 -0.011 0.000 1.326 32 H CA -1.136 54.905 56.048 -0.011 0.000 1.124 32 H CB 1.750 31.493 29.762 -0.031 0.000 1.853 32 H HN 0.550 nan 8.280 nan 0.000 0.536 33 L N 1.277 122.524 121.223 0.039 0.000 2.505 33 L HA 0.474 4.869 4.340 0.092 0.000 0.259 33 L C -1.549 175.367 176.870 0.076 0.000 0.952 33 L CA -0.963 53.871 54.840 -0.009 0.000 0.840 33 L CB 2.221 44.268 42.059 -0.019 0.000 1.358 33 L HN 0.488 nan 8.230 nan 0.000 0.409 34 V N 4.293 124.246 119.914 0.065 0.000 2.409 34 V HA 0.434 4.609 4.120 0.092 0.000 0.291 34 V C -0.289 175.823 176.094 0.030 0.000 1.020 34 V CA -0.673 61.660 62.300 0.055 0.000 0.848 34 V CB 1.838 33.697 31.823 0.060 0.000 0.990 34 V HN 0.475 nan 8.190 nan 0.000 0.430 35 V N 1.766 121.695 119.914 0.024 0.000 2.384 35 V HA 0.862 5.037 4.120 0.092 0.000 0.287 35 V C -0.563 175.542 176.094 0.019 0.000 1.020 35 V CA -0.588 61.725 62.300 0.022 0.000 0.850 35 V CB 1.532 33.370 31.823 0.025 0.000 0.987 35 V HN 0.878 nan 8.190 nan 0.000 0.436 36 E N 3.865 124.076 120.200 0.019 0.000 2.191 36 E HA 0.358 4.763 4.350 0.092 0.000 0.263 36 E C 0.864 177.475 176.600 0.019 0.000 0.881 36 E CA -0.369 56.041 56.400 0.018 0.000 0.757 36 E CB 2.267 31.977 29.700 0.017 0.000 1.147 36 E HN 0.832 nan 8.360 nan 0.000 0.414 37 Q N 2.372 122.183 119.800 0.019 0.000 2.119 37 Q HA -0.046 4.349 4.340 0.092 0.000 0.201 37 Q C 0.637 176.648 176.000 0.018 0.000 0.972 37 Q CA 1.341 57.155 55.803 0.020 0.000 0.847 37 Q CB -0.544 28.206 28.738 0.021 0.000 0.903 37 Q HN 0.586 nan 8.270 nan 0.000 0.433 38 T N 0.154 114.719 114.554 0.017 0.000 2.732 38 T HA 0.067 4.472 4.350 0.092 0.000 0.287 38 T C 0.419 175.130 174.700 0.018 0.000 0.993 38 T CA -0.098 62.012 62.100 0.017 0.000 0.966 38 T CB 0.790 69.669 68.868 0.017 0.000 1.047 38 T HN 0.348 nan 8.240 nan 0.000 0.527 39 D N -1.723 118.688 120.400 0.019 0.000 2.363 39 D HA 0.228 4.923 4.640 0.092 0.000 0.226 39 D C 1.570 177.883 176.300 0.021 0.000 1.020 39 D CA 0.487 54.499 54.000 0.019 0.000 0.892 39 D CB -0.739 40.073 40.800 0.019 0.000 0.900 39 D HN 1.120 nan 8.370 nan 0.000 0.531 40 G N -0.920 107.893 108.800 0.022 0.000 2.176 40 G HA2 -0.265 3.750 3.960 0.092 0.000 0.253 40 G HA3 -0.265 3.750 3.960 0.092 0.000 0.253 40 G C 0.377 175.296 174.900 0.031 0.000 0.979 40 G CA 0.364 45.479 45.100 0.025 0.000 0.641 40 G HN 0.463 nan 8.290 nan 0.000 0.530 41 T N 2.109 116.682 114.554 0.031 0.000 2.889 41 T HA 0.604 5.009 4.350 0.092 0.000 0.291 41 T C 0.465 175.188 174.700 0.038 0.000 0.995 41 T CA -0.159 61.964 62.100 0.039 0.000 1.092 41 T CB 1.431 70.320 68.868 0.035 0.000 0.954 41 T HN 0.198 nan 8.240 nan 0.000 0.506 42 I N 3.516 124.116 120.570 0.050 0.000 2.359 42 I HA 0.272 4.497 4.170 0.092 0.000 0.294 42 I C 1.587 177.720 176.117 0.027 0.000 0.987 42 I CA -0.454 60.872 61.300 0.043 0.000 1.225 42 I CB 1.236 39.273 38.000 0.063 0.000 1.366 42 I HN 0.850 nan 8.210 nan 0.000 0.466 43 T N 0.762 115.330 114.554 0.024 0.000 2.978 43 T HA 0.130 4.535 4.350 0.092 0.000 0.248 43 T C 0.492 175.204 174.700 0.020 0.000 1.018 43 T CA 0.314 62.420 62.100 0.010 0.000 1.026 43 T CB -0.028 68.859 68.868 0.032 0.000 1.032 43 T HN 0.656 nan 8.240 nan 0.000 0.485 44 H N 1.633 120.658 119.070 -0.075 0.000 2.974 44 H HA 0.446 5.057 4.556 0.091 0.000 0.285 44 H C -3.111 172.153 175.328 -0.107 0.000 1.227 44 H CA -2.150 53.843 56.048 -0.093 0.000 1.569 44 H CB 1.287 31.015 29.762 -0.057 0.000 1.648 44 H HN 0.047 nan 8.280 nan 0.000 0.521 45 P HA -0.032 nan 4.420 nan 0.000 0.260 45 P C 0.169 177.470 177.300 0.003 0.000 1.172 45 P CA 0.388 63.498 63.100 0.017 0.000 0.760 45 P CB 0.740 32.411 31.700 -0.047 0.000 0.773 46 R N 1.892 122.336 120.500 -0.093 0.000 2.254 46 R HA 0.164 4.559 4.340 0.092 0.000 0.193 46 R C 0.593 176.778 176.300 -0.192 0.000 0.929 46 R CA 0.297 56.272 56.100 -0.209 0.000 1.038 46 R CB 0.334 30.470 30.300 -0.273 0.000 1.009 46 R HN 0.404 nan 8.270 nan 0.000 0.512 47 V N -4.165 115.676 119.914 -0.122 0.000 3.074 47 V HA 0.889 5.064 4.120 0.092 0.000 0.314 47 V C 0.147 176.185 176.094 -0.095 0.000 1.117 47 V CA -0.395 61.849 62.300 -0.094 0.000 1.014 47 V CB 1.856 33.645 31.823 -0.056 0.000 1.057 47 V HN 0.154 nan 8.190 nan 0.000 0.438 48 G N 0.271 109.015 108.800 -0.093 0.000 3.159 48 G HA2 0.184 4.199 3.960 0.092 0.000 0.185 48 G HA3 0.184 4.199 3.960 0.092 0.000 0.185 48 G C 0.303 175.122 174.900 -0.135 0.000 1.523 48 G CA 0.528 45.544 45.100 -0.139 0.000 0.752 48 G HN 0.810 nan 8.290 nan 0.000 0.964 49 T N 2.213 116.718 114.554 -0.082 0.000 2.780 49 T HA 0.596 5.001 4.350 0.092 0.000 0.294 49 T C -0.290 174.404 174.700 -0.010 0.000 0.949 49 T CA 0.359 62.428 62.100 -0.052 0.000 1.074 49 T CB 1.457 70.357 68.868 0.053 0.000 0.910 49 T HN 0.119 nan 8.240 nan 0.000 0.501 50 I N 2.876 123.434 120.570 -0.021 0.000 2.382 50 I HA 0.389 4.614 4.170 0.092 0.000 0.286 50 I C 1.169 177.275 176.117 -0.019 0.000 1.002 50 I CA -0.920 60.398 61.300 0.030 0.000 1.135 50 I CB 1.420 39.467 38.000 0.078 0.000 1.288 50 I HN 0.680 nan 8.210 nan 0.000 0.448 51 G N 6.837 115.609 108.800 -0.046 0.000 2.664 51 G HA2 0.156 4.171 3.960 0.092 0.000 0.242 51 G HA3 0.156 4.171 3.960 0.092 0.000 0.242 51 G C -1.331 173.413 174.900 -0.260 0.000 1.225 51 G CA -0.742 44.221 45.100 -0.228 0.000 0.849 51 G HN 0.442 nan 8.290 nan 0.000 0.581 52 P HA -0.144 nan 4.420 nan 0.000 0.217 52 P C 1.614 178.865 177.300 -0.082 0.000 1.150 52 P CA 0.759 63.748 63.100 -0.184 0.000 0.832 52 P CB 0.258 31.904 31.700 -0.090 0.000 0.787 53 R N 0.793 121.129 120.500 -0.272 0.000 2.092 53 R HA -0.002 4.393 4.340 0.092 0.000 0.231 53 R C 2.333 178.558 176.300 -0.125 0.000 1.119 53 R CA 1.852 57.896 56.100 -0.093 0.000 0.970 53 R CB -1.537 28.641 30.300 -0.203 0.000 0.864 53 R HN 0.038 nan 8.270 nan 0.000 0.440 54 S N 0.129 115.739 115.700 -0.150 0.000 2.383 54 S HA -0.071 4.454 4.470 0.092 0.000 0.227 54 S C 1.705 176.219 174.600 -0.144 0.000 1.026 54 S CA 1.304 59.387 58.200 -0.196 0.000 0.981 54 S CB -0.133 63.028 63.200 -0.065 0.000 0.818 54 S HN 0.234 nan 8.310 nan 0.000 0.472 55 M N 1.434 121.055 119.600 0.034 0.000 2.229 55 M HA -0.010 4.526 4.480 0.092 0.000 0.264 55 M C 1.863 178.170 176.300 0.012 0.000 1.063 55 M CA 1.161 56.544 55.300 0.138 0.000 1.114 55 M CB -1.222 31.430 32.600 0.086 0.000 1.387 55 M HN 0.383 nan 8.290 nan 0.000 0.420 56 E N 0.050 120.210 120.200 -0.067 0.000 2.106 56 E HA -0.114 4.291 4.350 0.092 0.000 0.192 56 E C 2.132 178.561 176.600 -0.285 0.000 0.984 56 E CA 0.852 57.183 56.400 -0.116 0.000 0.806 56 E CB -0.081 29.587 29.700 -0.055 0.000 0.750 56 E HN 0.456 nan 8.360 nan 0.000 0.458 57 L N -0.206 120.735 121.223 -0.470 0.000 2.109 57 L HA -0.098 4.297 4.340 0.092 0.000 0.207 57 L C 2.133 178.345 176.870 -1.096 0.000 1.086 57 L CA 0.695 54.929 54.840 -1.011 0.000 0.760 57 L CB -0.276 41.054 42.059 -1.215 0.000 0.910 57 L HN 0.086 nan 8.230 nan 0.000 0.437 58 F N 0.187 119.897 119.950 -0.400 0.000 2.293 58 F HA -0.118 4.455 4.527 0.077 0.000 0.300 58 F C 2.744 178.486 175.800 -0.098 0.000 1.086 58 F CA 1.009 58.959 58.000 -0.083 0.000 1.375 58 F CB -0.556 38.465 39.000 0.036 0.000 1.045 58 F HN -0.004 nan 8.300 nan 0.000 0.516 59 R N 0.720 121.222 120.500 0.002 0.000 2.073 59 R HA -0.171 4.224 4.340 0.092 0.000 0.234 59 R C 2.498 178.747 176.300 -0.084 0.000 1.134 59 R CA 1.535 57.626 56.100 -0.014 0.000 0.952 59 R CB -0.321 29.953 30.300 -0.042 0.000 0.850 59 R HN 0.177 nan 8.270 nan 0.000 0.433 60 R N -0.216 120.120 120.500 -0.273 0.000 2.091 60 R HA -0.150 4.245 4.340 0.092 0.000 0.238 60 R C 1.235 177.353 176.300 -0.302 0.000 1.136 60 R CA 1.726 57.603 56.100 -0.372 0.000 0.959 60 R CB -0.222 29.702 30.300 -0.628 0.000 0.856 60 R HN 0.376 nan 8.270 nan 0.000 0.437 61 W N 0.208 121.419 121.300 -0.149 0.000 3.292 61 W HA 0.293 4.989 4.660 0.060 0.000 0.263 61 W C 0.894 177.442 176.519 0.048 0.000 1.318 61 W CA 0.662 57.961 57.345 -0.076 0.000 1.663 61 W CB -0.629 28.838 29.460 0.012 0.000 1.114 61 W HN 0.495 nan 8.180 nan 0.000 0.706 62 G N 0.957 109.883 108.800 0.211 0.000 2.198 62 G HA2 -0.251 3.764 3.960 0.092 0.000 0.257 62 G HA3 -0.251 3.764 3.960 0.092 0.000 0.257 62 G C 0.393 175.386 174.900 0.156 0.000 1.042 62 G CA 0.554 45.753 45.100 0.165 0.000 0.791 62 G HN 0.618 nan 8.290 nan 0.000 0.502 63 V N -4.793 115.232 119.914 0.185 0.000 3.337 63 V HA 0.748 4.923 4.120 0.092 0.000 0.307 63 V C 2.003 178.122 176.094 0.043 0.000 1.505 63 V CA 0.980 63.344 62.300 0.107 0.000 1.072 63 V CB -0.077 31.812 31.823 0.111 0.000 0.929 63 V HN 1.223 nan 8.190 nan 0.000 0.455 64 A N 1.187 124.064 122.820 0.094 0.000 1.902 64 A HA -0.056 4.319 4.320 0.092 0.000 0.217 64 A C 2.225 179.820 177.584 0.019 0.000 1.181 64 A CA 1.876 53.952 52.037 0.065 0.000 0.623 64 A CB -0.426 18.630 19.000 0.094 0.000 0.818 64 A HN 0.390 nan 8.150 nan 0.000 0.443 65 K N 0.242 120.656 120.400 0.025 0.000 2.009 65 K HA -0.186 4.189 4.320 0.092 0.000 0.210 65 K C 2.310 178.902 176.600 -0.014 0.000 1.049 65 K CA 1.752 58.046 56.287 0.011 0.000 0.929 65 K CB -0.591 31.919 32.500 0.016 0.000 0.714 65 K HN 0.835 nan 8.250 nan 0.000 0.440 66 Q N 0.478 120.263 119.800 -0.025 0.000 2.226 66 Q HA -0.093 4.302 4.340 0.092 0.000 0.204 66 Q C 2.234 178.190 176.000 -0.073 0.000 0.975 66 Q CA 1.166 56.938 55.803 -0.052 0.000 0.866 66 Q CB -0.543 28.166 28.738 -0.049 0.000 0.915 66 Q HN 0.349 nan 8.270 nan 0.000 0.440 67 I N 0.933 121.452 120.570 -0.085 0.000 2.179 67 I HA -0.233 3.992 4.170 0.092 0.000 0.242 67 I C 2.773 178.867 176.117 -0.039 0.000 1.088 67 I CA 1.207 62.446 61.300 -0.103 0.000 1.357 67 I CB -0.197 37.686 38.000 -0.195 0.000 1.051 67 I HN 0.156 nan 8.210 nan 0.000 0.409 68 R N 0.060 120.549 120.500 -0.019 0.000 2.120 68 R HA -0.120 4.275 4.340 0.092 0.000 0.234 68 R C 1.666 177.977 176.300 0.018 0.000 1.123 68 R CA 1.804 57.916 56.100 0.020 0.000 0.975 68 R CB -0.283 30.033 30.300 0.028 0.000 0.866 68 R HN 0.461 nan 8.270 nan 0.000 0.446 69 T N -3.404 111.133 114.554 -0.029 0.000 3.223 69 T HA 0.346 4.751 4.350 0.092 0.000 0.259 69 T C 1.259 175.867 174.700 -0.154 0.000 1.015 69 T CA 0.204 62.264 62.100 -0.067 0.000 0.908 69 T CB 0.980 69.811 68.868 -0.062 0.000 1.054 69 T HN 0.104 nan 8.240 nan 0.000 0.567 70 A N 1.065 123.781 122.820 -0.173 0.000 2.014 70 A HA 0.585 4.960 4.320 0.092 0.000 0.218 70 A C 2.028 179.105 177.584 -0.846 0.000 1.163 70 A CA 0.908 52.721 52.037 -0.373 0.000 0.652 70 A CB -0.623 18.280 19.000 -0.162 0.000 0.808 70 A HN 1.170 nan 8.150 nan 0.000 0.449 71 G N -3.732 104.715 108.800 -0.590 0.000 3.288 71 G HA2 -0.097 3.918 3.960 0.092 0.000 0.219 71 G HA3 -0.097 3.918 3.960 0.092 0.000 0.219 71 G C -0.066 174.803 174.900 -0.051 0.000 0.944 71 G CA -0.096 44.564 45.100 -0.734 0.000 0.854 71 G HN 0.473 nan 8.290 nan 0.000 0.632 72 W N 3.083 124.443 121.300 0.100 0.000 2.368 72 W HA 0.491 5.204 4.660 0.089 0.000 0.316 72 W C -2.352 174.203 176.519 0.059 0.000 1.375 72 W CA -1.564 55.883 57.345 0.170 0.000 1.261 72 W CB 0.715 30.247 29.460 0.120 0.000 1.298 72 W HN 0.006 nan 8.180 nan 0.000 0.539 73 P HA 0.012 nan 4.420 nan 0.000 0.262 73 P C 0.963 178.071 177.300 -0.320 0.000 1.199 73 P CA 0.615 63.466 63.100 -0.415 0.000 0.763 73 P CB 0.534 31.977 31.700 -0.430 0.000 0.790 74 G N 3.158 111.900 108.800 -0.097 0.000 2.479 74 G HA2 -0.223 3.792 3.960 0.092 0.000 0.220 74 G HA3 -0.223 3.792 3.960 0.092 0.000 0.220 74 G C 0.784 175.692 174.900 0.014 0.000 1.115 74 G CA 0.594 45.701 45.100 0.012 0.000 0.757 74 G HN 0.589 nan 8.290 nan 0.000 0.560 75 D N -1.298 119.075 120.400 -0.045 0.000 2.363 75 D HA 0.004 4.699 4.640 0.092 0.000 0.214 75 D C 0.281 176.558 176.300 -0.038 0.000 1.093 75 D CA -0.581 53.403 54.000 -0.027 0.000 0.837 75 D CB -0.543 40.230 40.800 -0.045 0.000 0.948 75 D HN 0.228 nan 8.370 nan 0.000 0.507 76 H N 1.679 120.636 119.070 -0.187 0.000 2.683 76 H HA 0.283 4.894 4.556 0.092 0.000 0.339 76 H C -2.392 172.957 175.328 0.034 0.000 1.081 76 H CA -1.457 54.474 56.048 -0.194 0.000 1.432 76 H CB 1.133 30.527 29.762 -0.614 0.000 1.462 76 H HN -0.105 nan 8.280 nan 0.000 0.557 77 P HA 0.003 nan 4.420 nan 0.000 0.269 77 P C 0.365 177.919 177.300 0.422 0.000 1.209 77 P CA 0.201 63.422 63.100 0.202 0.000 0.776 77 P CB 0.755 32.474 31.700 0.031 0.000 0.876 78 L N 0.483 121.862 121.223 0.260 0.000 2.693 78 L HA 0.176 4.571 4.340 0.092 0.000 0.235 78 L C 0.288 177.216 176.870 0.096 0.000 1.127 78 L CA -0.152 54.817 54.840 0.215 0.000 0.914 78 L CB -0.216 41.951 42.059 0.180 0.000 1.193 78 L HN 0.286 nan 8.230 nan 0.000 0.502 79 D N 1.685 122.109 120.400 0.040 0.000 2.364 79 D HA 0.226 4.921 4.640 0.092 0.000 0.236 79 D C 0.313 176.514 176.300 -0.166 0.000 1.221 79 D CA 0.396 54.359 54.000 -0.061 0.000 0.891 79 D CB 0.942 41.702 40.800 -0.067 0.000 1.190 79 D HN 0.106 nan 8.370 nan 0.000 0.449 80 A N 0.072 122.723 122.820 -0.281 0.000 2.318 80 A HA 0.706 5.081 4.320 0.092 0.000 0.317 80 A C -0.812 176.632 177.584 -0.233 0.000 1.159 80 A CA -0.525 51.240 52.037 -0.453 0.000 0.799 80 A CB 1.249 19.567 19.000 -1.137 0.000 1.194 80 A HN 0.547 nan 8.150 nan 0.000 0.479 81 A N 2.394 125.083 122.820 -0.219 0.000 2.398 81 A HA 0.649 5.024 4.320 0.092 0.000 0.301 81 A C -1.103 176.591 177.584 0.183 0.000 1.041 81 A CA -0.354 51.727 52.037 0.072 0.000 0.711 81 A CB 0.892 19.941 19.000 0.082 0.000 1.240 81 A HN 0.835 nan 8.150 nan 0.000 0.420 82 W N 3.362 124.837 121.300 0.292 0.000 2.332 82 W HA 0.488 5.203 4.660 0.092 0.000 0.306 82 W C -0.324 176.351 176.519 0.260 0.000 1.149 82 W CA -0.190 57.347 57.345 0.320 0.000 1.271 82 W CB 1.698 31.323 29.460 0.275 0.000 1.243 82 W HN 0.734 nan 8.180 nan 0.000 0.459 83 V N 0.457 120.583 119.914 0.354 0.000 2.962 83 V HA 0.477 4.652 4.120 0.092 0.000 0.313 83 V C 0.711 176.894 176.094 0.149 0.000 1.099 83 V CA -0.792 61.651 62.300 0.238 0.000 0.971 83 V CB 1.522 33.451 31.823 0.177 0.000 1.028 83 V HN 0.546 nan 8.190 nan 0.000 0.430 84 T N -1.136 113.501 114.554 0.140 0.000 3.113 84 T HA 0.313 4.718 4.350 0.092 0.000 0.256 84 T C 0.589 175.360 174.700 0.118 0.000 1.131 84 T CA 0.672 62.873 62.100 0.169 0.000 1.074 84 T CB -0.279 68.734 68.868 0.242 0.000 0.944 84 T HN 0.962 nan 8.240 nan 0.000 0.516 85 R N -0.321 120.180 120.500 0.001 0.000 4.498 85 R HA 0.243 4.638 4.340 0.092 0.000 0.244 85 R C -2.012 174.156 176.300 -0.220 0.000 0.975 85 R CA -0.534 55.501 56.100 -0.108 0.000 1.233 85 R CB 1.050 31.281 30.300 -0.113 0.000 1.221 85 R HN 0.074 nan 8.270 nan 0.000 0.619 86 V N 4.129 123.845 119.914 -0.331 0.000 2.425 86 V HA 0.305 4.480 4.120 0.092 0.000 0.276 86 V C 1.441 177.304 176.094 -0.384 0.000 1.017 86 V CA 1.860 63.838 62.300 -0.535 0.000 1.062 86 V CB 0.570 32.027 31.823 -0.611 0.000 0.997 86 V HN 1.104 nan 8.190 nan 0.000 0.476 87 G N 3.749 112.349 108.800 -0.334 0.000 2.213 87 G HA2 -0.138 3.877 3.960 0.092 0.000 0.226 87 G HA3 -0.138 3.877 3.960 0.092 0.000 0.226 87 G C 0.520 175.126 174.900 -0.490 0.000 0.992 87 G CA 0.050 44.821 45.100 -0.550 0.000 0.632 87 G HN 1.175 nan 8.290 nan 0.000 0.511 88 G N -0.759 107.840 108.800 -0.335 0.000 2.714 88 G HA2 0.523 4.538 3.960 0.092 0.000 0.197 88 G HA3 0.523 4.538 3.960 0.092 0.000 0.197 88 G C -0.223 174.549 174.900 -0.213 0.000 1.449 88 G CA -0.450 44.474 45.100 -0.294 0.000 1.065 88 G HN 0.339 nan 8.290 nan 0.000 0.575 89 H N 0.376 119.447 119.070 0.001 0.000 2.764 89 H HA 0.221 4.832 4.556 0.092 0.000 0.341 89 H C -0.203 175.165 175.328 0.066 0.000 1.072 89 H CA 0.297 56.366 56.048 0.035 0.000 1.444 89 H CB 1.353 31.139 29.762 0.041 0.000 1.458 89 H HN 0.478 nan 8.280 nan 0.000 0.572 90 E N 1.959 122.291 120.200 0.220 0.000 2.216 90 E HA 0.236 4.641 4.350 0.092 0.000 0.279 90 E C 0.034 176.761 176.600 0.211 0.000 0.997 90 E CA -0.520 56.009 56.400 0.214 0.000 0.817 90 E CB 1.064 30.884 29.700 0.199 0.000 1.096 90 E HN 0.319 nan 8.360 nan 0.000 0.393 91 V N 4.272 124.337 119.914 0.251 0.000 2.627 91 V HA 0.095 4.270 4.120 0.092 0.000 0.239 91 V C -0.410 175.869 176.094 0.309 0.000 1.077 91 V CA 0.373 62.811 62.300 0.230 0.000 1.103 91 V CB 0.127 32.083 31.823 0.221 0.000 0.802 91 V HN 0.654 nan 8.190 nan 0.000 0.482 92 Y N 0.729 121.165 120.300 0.226 0.000 2.479 92 Y HA 0.680 5.285 4.550 0.092 0.000 0.338 92 Y C -0.586 175.522 175.900 0.346 0.000 1.055 92 Y CA -1.610 56.600 58.100 0.184 0.000 1.023 92 Y CB 1.410 39.863 38.460 -0.011 0.000 1.287 92 Y HN 0.114 nan 8.280 nan 0.000 0.447 93 R N 6.738 127.074 120.500 -0.272 0.000 2.575 93 R HA 0.664 5.059 4.340 0.092 0.000 0.293 93 R C -1.957 174.092 176.300 -0.418 0.000 0.983 93 R CA -0.645 55.344 56.100 -0.185 0.000 0.887 93 R CB 1.241 31.521 30.300 -0.033 0.000 1.184 93 R HN 0.806 nan 8.270 nan 0.000 0.445 94 I N 6.554 126.982 120.570 -0.238 0.000 2.330 94 I HA 0.317 4.542 4.170 0.092 0.000 0.286 94 I C -1.946 174.118 176.117 -0.089 0.000 1.025 94 I CA -2.336 58.859 61.300 -0.175 0.000 1.197 94 I CB 1.817 39.786 38.000 -0.052 0.000 1.358 94 I HN 0.386 nan 8.210 nan 0.000 0.467 95 P HA 0.127 nan 4.420 nan 0.000 0.276 95 P C -0.169 177.143 177.300 0.019 0.000 1.243 95 P CA 0.024 63.117 63.100 -0.012 0.000 0.768 95 P CB 1.274 32.973 31.700 -0.001 0.000 0.856 96 L N 2.485 123.728 121.223 0.034 0.000 3.333 96 L HA 0.307 4.702 4.340 0.092 0.000 0.299 96 L C 1.388 178.307 176.870 0.081 0.000 1.256 96 L CA -0.137 54.742 54.840 0.065 0.000 1.037 96 L CB 0.099 42.202 42.059 0.074 0.000 1.423 96 L HN 0.625 nan 8.230 nan 0.000 0.605 97 G N 1.393 110.235 108.800 0.070 0.000 2.578 97 G HA2 -0.293 3.722 3.960 0.092 0.000 0.275 97 G HA3 -0.293 3.722 3.960 0.092 0.000 0.275 97 G C 0.013 174.978 174.900 0.109 0.000 1.271 97 G CA 0.184 45.331 45.100 0.077 0.000 0.941 97 G HN 0.370 nan 8.290 nan 0.000 0.564 98 T N -3.673 110.950 114.554 0.115 0.000 2.901 98 T HA 0.831 5.236 4.350 0.092 0.000 0.293 98 T C 1.354 176.150 174.700 0.160 0.000 1.084 98 T CA 0.529 62.724 62.100 0.159 0.000 1.008 98 T CB 1.556 70.492 68.868 0.113 0.000 1.170 98 T HN 2.170 nan 8.240 nan 0.000 0.509 99 A N 0.787 123.739 122.820 0.221 0.000 1.908 99 A HA -0.087 4.288 4.320 0.092 0.000 0.218 99 A C 1.790 179.446 177.584 0.121 0.000 1.181 99 A CA 1.971 54.121 52.037 0.189 0.000 0.627 99 A CB -1.074 18.089 19.000 0.271 0.000 0.818 99 A HN 0.869 nan 8.150 nan 0.000 0.445 100 D N -1.100 119.359 120.400 0.099 0.000 2.269 100 D HA -0.058 4.637 4.640 0.092 0.000 0.208 100 D C 1.983 178.315 176.300 0.052 0.000 0.963 100 D CA 1.809 55.846 54.000 0.062 0.000 0.864 100 D CB -0.199 40.626 40.800 0.040 0.000 0.936 100 D HN 0.668 nan 8.370 nan 0.000 0.505 101 T N -2.157 112.432 114.554 0.059 0.000 2.971 101 T HA 0.071 4.476 4.350 0.092 0.000 0.252 101 T C 0.941 175.674 174.700 0.054 0.000 1.022 101 T CA -0.581 61.549 62.100 0.049 0.000 0.980 101 T CB 0.252 69.145 68.868 0.042 0.000 1.044 101 T HN 0.098 nan 8.240 nan 0.000 0.501 102 R N 1.734 122.275 120.500 0.068 0.000 2.590 102 R HA 0.629 5.024 4.340 0.092 0.000 0.274 102 R C 0.152 176.489 176.300 0.062 0.000 1.061 102 R CA -0.299 55.842 56.100 0.068 0.000 1.081 102 R CB 0.119 30.468 30.300 0.081 0.000 0.984 102 R HN 0.146 nan 8.270 nan 0.000 0.448 103 A N 3.114 125.969 122.820 0.058 0.000 2.520 103 A HA 0.113 4.488 4.320 0.092 0.000 0.245 103 A C 0.019 177.642 177.584 0.064 0.000 1.072 103 A CA -0.228 51.842 52.037 0.054 0.000 0.761 103 A CB 0.022 19.051 19.000 0.048 0.000 1.004 103 A HN 0.792 nan 8.150 nan 0.000 0.499 104 T N 5.692 120.287 114.554 0.069 0.000 2.831 104 T HA 0.278 4.683 4.350 0.092 0.000 0.291 104 T C -1.791 172.963 174.700 0.090 0.000 0.981 104 T CA -0.138 62.018 62.100 0.093 0.000 1.174 104 T CB -0.292 68.648 68.868 0.118 0.000 0.929 104 T HN 0.652 nan 8.240 nan 0.000 0.532 105 P HA 0.083 nan 4.420 nan 0.000 0.268 105 P C 0.605 177.919 177.300 0.024 0.000 1.205 105 P CA -0.219 62.911 63.100 0.050 0.000 0.771 105 P CB 1.005 32.748 31.700 0.072 0.000 0.858 106 E N 1.877 122.014 120.200 -0.106 0.000 2.216 106 E HA -0.164 4.242 4.350 0.092 0.000 0.192 106 E C 0.739 177.263 176.600 -0.126 0.000 0.988 106 E CA 0.573 56.879 56.400 -0.156 0.000 0.834 106 E CB 0.002 29.502 29.700 -0.333 0.000 0.772 106 E HN 0.478 nan 8.360 nan 0.000 0.479 107 H N -0.678 118.446 119.070 0.090 0.000 2.553 107 H HA 0.180 4.790 4.556 0.091 0.000 0.265 107 H C 0.126 175.375 175.328 -0.132 0.000 0.964 107 H CA 0.821 56.886 56.048 0.029 0.000 1.156 107 H CB 0.827 30.644 29.762 0.092 0.000 1.411 107 H HN 0.024 nan 8.280 nan 0.000 0.558 108 T N 1.006 115.481 114.554 -0.130 0.000 2.923 108 T HA 0.209 4.614 4.350 0.092 0.000 0.311 108 T C -2.275 172.046 174.700 -0.633 0.000 1.183 108 T CA -1.664 60.172 62.100 -0.440 0.000 1.020 108 T CB 2.468 71.207 68.868 -0.215 0.000 1.165 108 T HN -0.131 nan 8.240 nan 0.000 0.482 109 P HA 0.237 nan 4.420 nan 0.000 0.249 109 P C -0.301 176.919 177.300 -0.134 0.000 1.229 109 P CA 0.337 63.078 63.100 -0.599 0.000 0.788 109 P CB 0.454 31.676 31.700 -0.796 0.000 1.072 110 E N 1.410 121.540 120.200 -0.117 0.000 2.460 110 E HA 0.286 4.691 4.350 0.092 0.000 0.249 110 E C -2.530 174.088 176.600 0.030 0.000 0.962 110 E CA -2.026 54.369 56.400 -0.007 0.000 0.787 110 E CB 2.279 31.977 29.700 -0.003 0.000 1.341 110 E HN 0.269 nan 8.360 nan 0.000 0.407 111 P HA -0.007 nan 4.420 nan 0.000 0.274 111 P C -0.158 177.146 177.300 0.006 0.000 1.260 111 P CA -0.356 62.770 63.100 0.043 0.000 0.793 111 P CB 0.717 32.450 31.700 0.055 0.000 1.048 112 D N -0.827 119.555 120.400 -0.030 0.000 2.354 112 D HA 0.345 5.040 4.640 0.092 0.000 0.238 112 D C -0.430 175.842 176.300 -0.047 0.000 1.250 112 D CA -0.342 53.618 54.000 -0.067 0.000 0.911 112 D CB -0.042 40.703 40.800 -0.093 0.000 1.163 112 D HN 0.545 nan 8.370 nan 0.000 0.456 113 A N 0.020 122.798 122.820 -0.070 0.000 2.566 113 A HA 0.612 4.987 4.320 0.092 0.000 0.292 113 A C -1.243 176.222 177.584 -0.199 0.000 1.112 113 A CA -0.933 51.042 52.037 -0.104 0.000 0.707 113 A CB 1.438 20.411 19.000 -0.045 0.000 1.302 113 A HN 0.481 nan 8.150 nan 0.000 0.409 114 I N 0.540 120.915 120.570 -0.326 0.000 2.382 114 I HA 0.413 4.638 4.170 0.092 0.000 0.286 114 I C -0.813 175.198 176.117 -0.177 0.000 1.002 114 I CA -0.248 60.775 61.300 -0.462 0.000 1.135 114 I CB 0.763 38.035 38.000 -1.214 0.000 1.288 114 I HN 0.625 nan 8.210 nan 0.000 0.448 115 C N 9.771 129.001 119.300 -0.116 0.000 3.233 115 C HA 0.381 4.896 4.460 0.092 0.000 0.299 115 C C -2.410 172.523 174.990 -0.095 0.000 1.060 115 C CA -1.319 57.712 59.018 0.021 0.000 1.382 115 C CB 0.701 28.450 27.740 0.016 0.000 1.828 115 C HN 0.532 nan 8.230 nan 0.000 0.530 116 P HA -0.077 nan 4.420 nan 0.000 0.264 116 P C 0.678 177.842 177.300 -0.227 0.000 1.179 116 P CA 0.922 63.833 63.100 -0.314 0.000 0.763 116 P CB 0.646 32.037 31.700 -0.515 0.000 0.806 117 Q N 2.362 122.107 119.800 -0.092 0.000 2.217 117 Q HA -0.251 4.144 4.340 0.092 0.000 0.209 117 Q C 1.876 177.879 176.000 0.005 0.000 0.988 117 Q CA 1.670 57.453 55.803 -0.032 0.000 0.878 117 Q CB -0.259 28.469 28.738 -0.017 0.000 0.909 117 Q HN 0.611 nan 8.270 nan 0.000 0.424 118 H N -2.675 116.306 119.070 -0.149 0.000 2.559 118 H HA -0.104 4.509 4.556 0.094 0.000 0.273 118 H C 0.690 176.076 175.328 0.097 0.000 1.000 118 H CA 0.711 56.715 56.048 -0.074 0.000 1.195 118 H CB -0.234 29.450 29.762 -0.131 0.000 1.368 118 H HN 0.398 nan 8.280 nan 0.000 0.592 119 W N 0.268 121.344 121.300 -0.374 0.000 2.850 119 W HA 0.146 4.862 4.660 0.092 0.000 0.260 119 W C 2.214 178.634 176.519 -0.166 0.000 1.129 119 W CA -0.442 56.728 57.345 -0.291 0.000 1.587 119 W CB -0.948 28.311 29.460 -0.336 0.000 1.041 119 W HN 0.158 nan 8.180 nan 0.000 0.614 120 L N 1.746 123.013 121.223 0.074 0.000 1.990 120 L HA -0.149 4.246 4.340 0.092 0.000 0.213 120 L C 2.386 179.256 176.870 0.001 0.000 1.072 120 L CA 2.910 57.747 54.840 -0.004 0.000 0.755 120 L CB -1.361 40.676 42.059 -0.037 0.000 0.889 120 L HN -0.072 nan 8.230 nan 0.000 0.432 121 A N -0.183 122.651 122.820 0.023 0.000 1.873 121 A HA -0.166 4.209 4.320 0.092 0.000 0.218 121 A C 0.178 177.781 177.584 0.032 0.000 1.193 121 A CA 2.218 54.273 52.037 0.030 0.000 0.629 121 A CB -2.149 16.875 19.000 0.040 0.000 0.826 121 A HN 0.460 nan 8.150 nan 0.000 0.447 122 P HA -0.124 nan 4.420 nan 0.000 0.216 122 P C 1.770 179.080 177.300 0.016 0.000 1.153 122 P CA 0.835 63.956 63.100 0.035 0.000 0.848 122 P CB -0.100 31.630 31.700 0.049 0.000 0.787 123 L N -1.161 120.066 121.223 0.006 0.000 2.017 123 L HA -0.154 4.241 4.340 0.092 0.000 0.208 123 L C 2.196 179.060 176.870 -0.010 0.000 1.073 123 L CA 1.568 56.398 54.840 -0.017 0.000 0.745 123 L CB -0.625 41.408 42.059 -0.043 0.000 0.894 123 L HN -0.094 nan 8.230 nan 0.000 0.432 124 L N -0.558 120.662 121.223 -0.006 0.000 2.056 124 L HA -0.153 4.242 4.340 0.092 0.000 0.207 124 L C 2.839 179.726 176.870 0.027 0.000 1.078 124 L CA 1.014 55.864 54.840 0.017 0.000 0.749 124 L CB -0.835 41.243 42.059 0.031 0.000 0.901 124 L HN 0.331 nan 8.230 nan 0.000 0.433 125 A N -0.086 122.748 122.820 0.024 0.000 1.940 125 A HA -0.277 4.098 4.320 0.092 0.000 0.219 125 A C 2.242 179.840 177.584 0.025 0.000 1.176 125 A CA 1.991 54.043 52.037 0.026 0.000 0.631 125 A CB -0.511 18.504 19.000 0.024 0.000 0.814 125 A HN 0.473 nan 8.150 nan 0.000 0.446 126 E N -0.355 119.856 120.200 0.020 0.000 2.077 126 E HA -0.093 4.312 4.350 0.092 0.000 0.193 126 E C 2.078 178.694 176.600 0.027 0.000 0.989 126 E CA 0.973 57.384 56.400 0.018 0.000 0.800 126 E CB -0.228 29.477 29.700 0.009 0.000 0.746 126 E HN 0.560 nan 8.360 nan 0.000 0.452 127 A N 0.141 122.981 122.820 0.034 0.000 1.968 127 A HA -0.067 4.308 4.320 0.092 0.000 0.217 127 A C 2.223 179.840 177.584 0.056 0.000 1.169 127 A CA 0.969 53.036 52.037 0.050 0.000 0.638 127 A CB -0.115 18.925 19.000 0.066 0.000 0.812 127 A HN 0.216 nan 8.150 nan 0.000 0.446 128 V N -0.907 119.038 119.914 0.051 0.000 3.129 128 V HA 0.217 4.392 4.120 0.092 0.000 0.259 128 V C 1.828 177.956 176.094 0.056 0.000 1.116 128 V CA 0.796 63.136 62.300 0.067 0.000 1.127 128 V CB -1.529 30.333 31.823 0.065 0.000 0.742 128 V HN 0.992 nan 8.190 nan 0.000 0.474 129 G N 1.000 109.822 108.800 0.036 0.000 2.564 129 G HA2 -0.401 3.614 3.960 0.092 0.000 0.273 129 G HA3 -0.401 3.614 3.960 0.092 0.000 0.273 129 G C 1.019 175.925 174.900 0.010 0.000 1.242 129 G CA 0.471 45.584 45.100 0.021 0.000 0.951 129 G HN 0.379 nan 8.290 nan 0.000 0.564 130 E N 1.171 121.369 120.200 -0.003 0.000 2.333 130 E HA -0.120 4.285 4.350 0.092 0.000 0.198 130 E C 2.407 178.989 176.600 -0.030 0.000 1.007 130 E CA 1.344 57.736 56.400 -0.014 0.000 0.845 130 E CB -0.223 29.465 29.700 -0.019 0.000 0.766 130 E HN 0.631 nan 8.360 nan 0.000 0.507 131 R N 0.252 120.724 120.500 -0.046 0.000 2.316 131 R HA 0.003 4.398 4.340 0.092 0.000 0.202 131 R C 0.704 176.990 176.300 -0.024 0.000 1.029 131 R CA 0.026 56.072 56.100 -0.090 0.000 1.018 131 R CB -0.276 29.887 30.300 -0.229 0.000 0.888 131 R HN 0.032 nan 8.270 nan 0.000 0.471 132 L N 1.889 123.115 121.223 0.005 0.000 2.255 132 L HA 0.223 4.618 4.340 0.092 0.000 0.289 132 L C -0.646 176.230 176.870 0.010 0.000 1.046 132 L CA -0.382 54.470 54.840 0.019 0.000 0.816 132 L CB 0.836 42.910 42.059 0.026 0.000 1.197 132 L HN -0.183 nan 8.230 nan 0.000 0.427 133 R N 3.788 124.294 120.500 0.011 0.000 2.247 133 R HA 0.338 4.733 4.340 0.092 0.000 0.329 133 R C 0.076 176.384 176.300 0.013 0.000 1.014 133 R CA -0.242 55.863 56.100 0.009 0.000 0.907 133 R CB 0.366 30.669 30.300 0.006 0.000 1.146 133 R HN 0.819 nan 8.270 nan 0.000 0.499 134 T N -0.335 114.227 114.554 0.014 0.000 2.788 134 T HA 0.203 4.608 4.350 0.092 0.000 0.287 134 T C 0.651 175.360 174.700 0.015 0.000 1.007 134 T CA -0.679 61.430 62.100 0.015 0.000 1.005 134 T CB 0.846 69.723 68.868 0.016 0.000 1.012 134 T HN 0.562 nan 8.240 nan 0.000 0.530 135 R N -0.692 119.817 120.500 0.016 0.000 3.627 135 R HA -0.129 4.266 4.340 0.092 0.000 0.281 135 R C -0.593 175.717 176.300 0.016 0.000 1.140 135 R CA 0.607 56.717 56.100 0.016 0.000 0.761 135 R CB -3.020 27.289 30.300 0.014 0.000 1.181 135 R HN 0.736 nan 8.270 nan 0.000 0.472 136 S N 0.470 116.181 115.700 0.018 0.000 2.596 136 S HA 0.454 4.979 4.470 0.092 0.000 0.318 136 S C 0.078 174.692 174.600 0.024 0.000 1.097 136 S CA -0.839 57.373 58.200 0.020 0.000 1.080 136 S CB 2.576 65.788 63.200 0.019 0.000 0.991 136 S HN 0.262 nan 8.310 nan 0.000 0.471 137 R N 3.292 123.808 120.500 0.027 0.000 2.295 137 R HA 0.441 4.836 4.340 0.092 0.000 0.324 137 R C -0.941 175.383 176.300 0.040 0.000 0.968 137 R CA -0.701 55.417 56.100 0.031 0.000 0.837 137 R CB 0.662 30.979 30.300 0.028 0.000 1.133 137 R HN 0.669 nan 8.270 nan 0.000 0.450 138 L N 5.752 127.004 121.223 0.048 0.000 2.369 138 L HA 0.119 4.514 4.340 0.092 0.000 0.279 138 L C 0.314 177.230 176.870 0.076 0.000 1.108 138 L CA -0.030 54.851 54.840 0.068 0.000 0.852 138 L CB 0.763 42.867 42.059 0.075 0.000 1.169 138 L HN 0.785 nan 8.230 nan 0.000 0.452 139 D N 2.062 122.504 120.400 0.071 0.000 2.149 139 D HA 0.015 4.710 4.640 0.092 0.000 0.206 139 D C 0.458 176.798 176.300 0.066 0.000 0.967 139 D CA 1.036 55.070 54.000 0.057 0.000 0.848 139 D CB 0.370 41.193 40.800 0.039 0.000 0.998 139 D HN 0.609 nan 8.370 nan 0.000 0.474 140 S N -0.619 115.132 115.700 0.085 0.000 2.615 140 S HA 0.620 5.145 4.470 0.092 0.000 0.269 140 S C -1.221 173.474 174.600 0.158 0.000 1.161 140 S CA -1.063 57.172 58.200 0.057 0.000 0.817 140 S CB 1.818 64.994 63.200 -0.040 0.000 1.131 140 S HN 0.167 nan 8.310 nan 0.000 0.467 141 F N -1.025 118.923 119.950 -0.002 0.000 2.645 141 F HA 0.882 5.465 4.527 0.093 0.000 0.310 141 F C -1.061 174.722 175.800 -0.029 0.000 1.102 141 F CA -0.714 57.279 58.000 -0.010 0.000 0.952 141 F CB 1.618 40.614 39.000 -0.006 0.000 1.326 141 F HN 0.914 nan 8.300 nan 0.000 0.456 142 E N 2.103 122.379 120.200 0.126 0.000 2.274 142 E HA 0.269 4.674 4.350 0.092 0.000 0.269 142 E C -1.737 174.887 176.600 0.039 0.000 0.891 142 E CA -0.653 55.746 56.400 -0.002 0.000 0.784 142 E CB 1.907 31.568 29.700 -0.064 0.000 1.225 142 E HN 0.840 nan 8.360 nan 0.000 0.412 143 Q N 3.146 122.975 119.800 0.048 0.000 2.293 143 Q HA 0.372 4.767 4.340 0.092 0.000 0.251 143 Q C -0.206 175.697 176.000 -0.162 0.000 0.930 143 Q CA -0.475 55.305 55.803 -0.039 0.000 0.893 143 Q CB 1.252 29.999 28.738 0.015 0.000 1.215 143 Q HN 0.301 nan 8.270 nan 0.000 0.425 144 R N 1.110 121.418 120.500 -0.319 0.000 2.939 144 R HA 0.202 4.597 4.340 0.092 0.000 0.254 144 R C 0.336 176.475 176.300 -0.268 0.000 1.123 144 R CA -0.780 55.100 56.100 -0.366 0.000 1.020 144 R CB 0.463 30.325 30.300 -0.730 0.000 1.206 144 R HN 0.603 nan 8.270 nan 0.000 0.491 145 D N 0.862 121.163 120.400 -0.165 0.000 2.158 145 D HA -0.168 4.527 4.640 0.092 0.000 0.197 145 D C 0.818 177.075 176.300 -0.072 0.000 0.995 145 D CA 1.776 55.724 54.000 -0.087 0.000 0.846 145 D CB 0.176 40.952 40.800 -0.040 0.000 0.941 145 D HN 0.565 nan 8.370 nan 0.000 0.456 146 D N -1.190 119.185 120.400 -0.043 0.000 2.503 146 D HA -0.041 4.654 4.640 0.092 0.000 0.218 146 D C 0.629 176.943 176.300 0.024 0.000 1.183 146 D CA -0.109 53.891 54.000 -0.000 0.000 0.827 146 D CB 0.087 40.919 40.800 0.054 0.000 1.034 146 D HN 0.375 nan 8.370 nan 0.000 0.510 147 H N -2.295 116.690 119.070 -0.142 0.000 2.883 147 H HA 0.618 5.229 4.556 0.091 0.000 0.277 147 H C -1.772 173.476 175.328 -0.133 0.000 1.451 147 H CA -0.818 55.133 56.048 -0.162 0.000 1.157 147 H CB 0.983 30.669 29.762 -0.126 0.000 1.851 147 H HN -0.188 nan 8.280 nan 0.000 0.566 148 V N 1.182 121.047 119.914 -0.082 0.000 2.709 148 V HA 0.483 4.658 4.120 0.092 0.000 0.308 148 V C -0.200 175.888 176.094 -0.011 0.000 1.062 148 V CA -0.861 61.384 62.300 -0.093 0.000 0.901 148 V CB 2.008 33.814 31.823 -0.029 0.000 1.003 148 V HN 0.614 nan 8.190 nan 0.000 0.425 149 R N 2.495 122.970 120.500 -0.042 0.000 2.393 149 R HA 0.855 5.250 4.340 0.092 0.000 0.310 149 R C -0.494 175.872 176.300 0.109 0.000 0.968 149 R CA -0.386 55.699 56.100 -0.025 0.000 0.867 149 R CB 2.044 32.259 30.300 -0.142 0.000 1.124 149 R HN 0.847 nan 8.270 nan 0.000 0.450 150 A N 1.756 124.665 122.820 0.148 0.000 2.401 150 A HA 0.593 4.968 4.320 0.092 0.000 0.310 150 A C -0.688 176.976 177.584 0.133 0.000 1.075 150 A CA -0.680 51.454 52.037 0.161 0.000 0.746 150 A CB 1.938 21.024 19.000 0.144 0.000 1.277 150 A HN 0.553 nan 8.150 nan 0.000 0.425 151 T N 3.033 117.654 114.554 0.111 0.000 2.758 151 T HA 0.523 4.928 4.350 0.092 0.000 0.285 151 T C -0.351 174.392 174.700 0.071 0.000 0.981 151 T CA -0.133 62.016 62.100 0.082 0.000 0.965 151 T CB 0.313 69.217 68.868 0.061 0.000 0.927 151 T HN 0.392 nan 8.240 nan 0.000 0.448 152 I N 3.184 123.789 120.570 0.059 0.000 2.378 152 I HA 0.323 4.548 4.170 0.092 0.000 0.291 152 I C 0.526 176.664 176.117 0.035 0.000 0.992 152 I CA -0.678 60.651 61.300 0.047 0.000 1.154 152 I CB 1.470 39.495 38.000 0.043 0.000 1.315 152 I HN 0.507 nan 8.210 nan 0.000 0.448 153 T N 4.437 119.009 114.554 0.031 0.000 2.749 153 T HA 0.128 4.533 4.350 0.092 0.000 0.287 153 T C -0.010 174.702 174.700 0.021 0.000 0.970 153 T CA -0.344 61.770 62.100 0.024 0.000 0.980 153 T CB 0.813 69.695 68.868 0.023 0.000 0.924 153 T HN 0.388 nan 8.240 nan 0.000 0.456 154 D N 3.679 124.089 120.400 0.017 0.000 2.359 154 D HA 0.073 4.768 4.640 0.092 0.000 0.250 154 D C 1.056 177.364 176.300 0.013 0.000 1.264 154 D CA -0.170 53.838 54.000 0.014 0.000 0.911 154 D CB 0.530 41.337 40.800 0.011 0.000 1.056 154 D HN 0.498 nan 8.370 nan 0.000 0.499 155 L N 3.374 124.606 121.223 0.014 0.000 2.551 155 L HA 0.003 4.398 4.340 0.092 0.000 0.228 155 L C 2.389 179.266 176.870 0.012 0.000 1.153 155 L CA 0.273 55.121 54.840 0.014 0.000 0.851 155 L CB -0.054 42.014 42.059 0.015 0.000 0.959 155 L HN 0.318 nan 8.230 nan 0.000 0.451 156 R N -0.177 120.329 120.500 0.011 0.000 2.075 156 R HA -0.085 4.310 4.340 0.092 0.000 0.220 156 R C 2.443 178.748 176.300 0.009 0.000 1.118 156 R CA 1.696 57.802 56.100 0.010 0.000 0.986 156 R CB 0.056 30.362 30.300 0.009 0.000 0.884 156 R HN 0.405 nan 8.270 nan 0.000 0.439 157 T N -4.083 110.476 114.554 0.008 0.000 2.914 157 T HA 0.245 4.650 4.350 0.092 0.000 0.240 157 T C 1.417 176.122 174.700 0.007 0.000 1.025 157 T CA 0.914 63.019 62.100 0.007 0.000 1.198 157 T CB 0.377 69.248 68.868 0.006 0.000 0.892 157 T HN 0.349 nan 8.240 nan 0.000 0.417 158 G N 0.881 109.686 108.800 0.008 0.000 2.559 158 G HA2 0.289 4.304 3.960 0.092 0.000 0.202 158 G HA3 0.289 4.304 3.960 0.092 0.000 0.202 158 G C 0.187 175.092 174.900 0.009 0.000 0.992 158 G CA 0.002 45.107 45.100 0.009 0.000 0.764 158 G HN 0.957 nan 8.290 nan 0.000 0.525 159 A N 0.773 123.598 122.820 0.008 0.000 2.322 159 A HA 0.775 5.150 4.320 0.092 0.000 0.269 159 A C 0.704 178.294 177.584 0.011 0.000 1.094 159 A CA 0.853 52.895 52.037 0.008 0.000 0.807 159 A CB 0.443 19.446 19.000 0.005 0.000 1.047 159 A HN 1.551 nan 8.150 nan 0.000 0.487 160 T N -1.532 113.029 114.554 0.012 0.000 2.797 160 T HA 0.812 5.217 4.350 0.092 0.000 0.279 160 T C -0.184 174.527 174.700 0.017 0.000 0.991 160 T CA -0.018 62.092 62.100 0.017 0.000 0.979 160 T CB 1.318 70.198 68.868 0.019 0.000 0.943 160 T HN 1.440 nan 8.240 nan 0.000 0.444 161 R N 1.035 121.547 120.500 0.021 0.000 2.854 161 R HA 0.972 5.367 4.340 0.092 0.000 0.271 161 R C -0.350 175.971 176.300 0.036 0.000 0.994 161 R CA -0.742 55.370 56.100 0.019 0.000 0.945 161 R CB 0.976 31.282 30.300 0.009 0.000 1.194 161 R HN 1.418 nan 8.270 nan 0.000 0.476 162 A N 0.657 123.500 122.820 0.037 0.000 2.324 162 A HA 0.748 5.123 4.320 0.092 0.000 0.330 162 A C -0.768 176.866 177.584 0.083 0.000 1.165 162 A CA -0.575 51.513 52.037 0.085 0.000 0.813 162 A CB 1.499 20.570 19.000 0.119 0.000 1.197 162 A HN 0.951 nan 8.150 nan 0.000 0.484 163 V N 3.257 123.268 119.914 0.162 0.000 2.444 163 V HA 0.329 4.504 4.120 0.092 0.000 0.294 163 V C -1.065 175.222 176.094 0.321 0.000 1.022 163 V CA -0.592 61.802 62.300 0.156 0.000 0.850 163 V CB 1.383 33.264 31.823 0.097 0.000 0.992 163 V HN 0.896 nan 8.190 nan 0.000 0.426 164 H N 3.342 122.430 119.070 0.030 0.000 2.597 164 H HA 0.814 5.424 4.556 0.091 0.000 0.303 164 H C 0.168 175.512 175.328 0.027 0.000 1.057 164 H CA -0.060 56.017 56.048 0.049 0.000 1.261 164 H CB 1.521 31.254 29.762 -0.049 0.000 1.397 164 H HN 0.886 nan 8.280 nan 0.000 0.461 165 A N 2.945 125.851 122.820 0.144 0.000 2.413 165 A HA 0.448 4.823 4.320 0.092 0.000 0.307 165 A C 0.867 178.467 177.584 0.026 0.000 1.087 165 A CA -0.843 51.240 52.037 0.076 0.000 0.750 165 A CB 1.379 20.421 19.000 0.069 0.000 1.296 165 A HN 0.795 nan 8.150 nan 0.000 0.423 166 R N -0.688 119.785 120.500 -0.045 0.000 2.148 166 R HA 0.033 4.428 4.340 0.092 0.000 0.223 166 R C -0.815 175.139 176.300 -0.577 0.000 1.088 166 R CA 1.312 57.245 56.100 -0.277 0.000 0.985 166 R CB -0.093 30.044 30.300 -0.271 0.000 0.880 166 R HN 0.670 nan 8.270 nan 0.000 0.451 167 Y N -0.980 119.338 120.300 0.030 0.000 2.513 167 Y HA 0.374 4.979 4.550 0.092 0.000 0.340 167 Y C -0.756 175.147 175.900 0.004 0.000 1.055 167 Y CA -0.875 57.244 58.100 0.032 0.000 1.020 167 Y CB 1.716 40.170 38.460 -0.010 0.000 1.301 167 Y HN -0.177 nan 8.280 nan 0.000 0.453 168 L N 3.653 124.973 121.223 0.161 0.000 2.305 168 L HA 0.734 5.129 4.340 0.092 0.000 0.284 168 L C -1.442 175.455 176.870 0.045 0.000 1.013 168 L CA -1.001 53.852 54.840 0.021 0.000 0.819 168 L CB 1.212 43.185 42.059 -0.143 0.000 1.227 168 L HN 0.500 nan 8.230 nan 0.000 0.417 169 V N 4.517 124.432 119.914 0.001 0.000 2.334 169 V HA 0.427 4.602 4.120 0.092 0.000 0.281 169 V C 0.439 176.505 176.094 -0.047 0.000 1.016 169 V CA -0.632 61.660 62.300 -0.014 0.000 0.832 169 V CB 1.446 33.213 31.823 -0.093 0.000 0.999 169 V HN 0.846 nan 8.190 nan 0.000 0.439 170 A N 3.972 126.761 122.820 -0.051 0.000 2.310 170 A HA 0.414 4.789 4.320 0.092 0.000 0.300 170 A C 0.351 177.899 177.584 -0.059 0.000 1.269 170 A CA -0.195 51.804 52.037 -0.064 0.000 0.909 170 A CB -0.099 18.854 19.000 -0.078 0.000 1.144 170 A HN 0.922 nan 8.150 nan 0.000 0.540 171 C N 2.786 122.056 119.300 -0.050 0.000 2.624 171 C HA 0.221 4.736 4.460 0.092 0.000 0.263 171 C C 0.782 175.754 174.990 -0.029 0.000 1.587 171 C CA -0.526 58.462 59.018 -0.049 0.000 1.718 171 C CB -1.205 26.507 27.740 -0.047 0.000 3.050 171 C HN 0.881 nan 8.230 nan 0.000 0.517 172 D N 0.159 120.544 120.400 -0.025 0.000 2.336 172 D HA 0.368 5.063 4.640 0.092 0.000 0.228 172 D C 0.994 177.295 176.300 0.002 0.000 1.120 172 D CA 0.620 54.616 54.000 -0.006 0.000 0.839 172 D CB 0.011 40.813 40.800 0.003 0.000 0.932 172 D HN 0.597 nan 8.370 nan 0.000 0.509 173 G N -0.433 108.365 108.800 -0.004 0.000 2.655 173 G HA2 0.035 4.050 3.960 0.092 0.000 0.680 173 G HA3 0.035 4.050 3.960 0.092 0.000 0.680 173 G C 0.803 175.718 174.900 0.025 0.000 1.302 173 G CA 0.103 45.212 45.100 0.016 0.000 0.872 173 G HN 0.579 nan 8.290 nan 0.000 0.540 174 A N -0.454 122.403 122.820 0.061 0.000 1.940 174 A HA 0.220 4.595 4.320 0.092 0.000 0.219 174 A C 2.465 180.089 177.584 0.066 0.000 1.176 174 A CA 3.176 55.262 52.037 0.082 0.000 0.631 174 A CB -0.578 18.510 19.000 0.146 0.000 0.814 174 A HN 2.383 nan 8.150 nan 0.000 0.446 175 S N -0.615 115.121 115.700 0.059 0.000 2.622 175 S HA 0.252 4.777 4.470 0.092 0.000 0.236 175 S C 0.554 175.175 174.600 0.036 0.000 0.956 175 S CA 0.478 58.707 58.200 0.047 0.000 0.971 175 S CB -0.779 62.447 63.200 0.044 0.000 0.782 175 S HN 0.565 nan 8.310 nan 0.000 0.468 176 S N 3.334 119.051 115.700 0.028 0.000 4.080 176 S HA -0.017 4.508 4.470 0.092 0.000 0.487 176 S C -1.259 173.362 174.600 0.035 0.000 0.925 176 S CA -0.459 57.754 58.200 0.021 0.000 1.594 176 S CB -0.075 63.126 63.200 0.001 0.000 0.960 176 S HN 0.356 nan 8.310 nan 0.000 0.565 177 P HA -0.069 nan 4.420 nan 0.000 0.216 177 P C 1.591 178.945 177.300 0.091 0.000 1.150 177 P CA 1.200 64.335 63.100 0.059 0.000 0.837 177 P CB -0.052 31.684 31.700 0.061 0.000 0.786 178 T N -0.833 113.778 114.554 0.096 0.000 2.720 178 T HA -0.188 4.217 4.350 0.092 0.000 0.268 178 T C 1.863 176.630 174.700 0.111 0.000 1.037 178 T CA 1.216 63.398 62.100 0.137 0.000 1.144 178 T CB -0.483 68.397 68.868 0.021 0.000 0.864 178 T HN 0.146 nan 8.240 nan 0.000 0.444 179 R N 1.104 121.637 120.500 0.055 0.000 2.091 179 R HA -0.098 4.297 4.340 0.092 0.000 0.238 179 R C 2.292 178.627 176.300 0.059 0.000 1.136 179 R CA 1.462 57.589 56.100 0.043 0.000 0.959 179 R CB -0.046 30.267 30.300 0.021 0.000 0.856 179 R HN 0.344 nan 8.270 nan 0.000 0.437 180 K N -0.180 120.255 120.400 0.058 0.000 2.025 180 K HA -0.067 4.308 4.320 0.092 0.000 0.207 180 K C 2.116 178.748 176.600 0.054 0.000 1.049 180 K CA 1.366 57.682 56.287 0.048 0.000 0.933 180 K CB -0.193 32.331 32.500 0.039 0.000 0.714 180 K HN 0.200 nan 8.250 nan 0.000 0.438 181 A N 1.307 124.176 122.820 0.082 0.000 1.978 181 A HA -0.137 4.238 4.320 0.092 0.000 0.220 181 A C 1.949 179.587 177.584 0.090 0.000 1.170 181 A CA 1.347 53.427 52.037 0.071 0.000 0.636 181 A CB -0.603 18.470 19.000 0.122 0.000 0.810 181 A HN 0.200 nan 8.150 nan 0.000 0.448 182 L N -1.238 120.069 121.223 0.139 0.000 2.599 182 L HA 0.174 4.569 4.340 0.092 0.000 0.230 182 L C 1.602 178.506 176.870 0.056 0.000 1.141 182 L CA 0.418 55.329 54.840 0.119 0.000 0.877 182 L CB -0.377 41.750 42.059 0.113 0.000 1.009 182 L HN 0.565 nan 8.230 nan 0.000 0.447 183 G N 1.350 110.176 108.800 0.044 0.000 2.198 183 G HA2 -0.290 3.725 3.960 0.092 0.000 0.260 183 G HA3 -0.290 3.725 3.960 0.092 0.000 0.260 183 G C 0.100 175.016 174.900 0.028 0.000 1.025 183 G CA -0.004 45.111 45.100 0.026 0.000 0.769 183 G HN 0.328 nan 8.290 nan 0.000 0.507 184 I N 0.357 120.949 120.570 0.036 0.000 2.359 184 I HA 0.375 4.600 4.170 0.092 0.000 0.294 184 I C 0.069 176.210 176.117 0.041 0.000 0.987 184 I CA -0.714 60.609 61.300 0.038 0.000 1.225 184 I CB 1.493 39.521 38.000 0.047 0.000 1.366 184 I HN 0.136 nan 8.210 nan 0.000 0.466 185 D N 4.910 125.334 120.400 0.040 0.000 2.181 185 D HA 0.615 5.310 4.640 0.092 0.000 0.248 185 D C -0.659 175.674 176.300 0.054 0.000 1.020 185 D CA -0.354 53.670 54.000 0.040 0.000 0.891 185 D CB 1.718 42.536 40.800 0.030 0.000 1.187 185 D HN 0.571 nan 8.370 nan 0.000 0.443 186 A N 3.546 126.399 122.820 0.055 0.000 3.030 186 A HA 0.414 4.789 4.320 0.092 0.000 0.335 186 A C -2.548 175.072 177.584 0.060 0.000 1.089 186 A CA -1.275 50.805 52.037 0.071 0.000 0.807 186 A CB 0.565 19.610 19.000 0.075 0.000 1.099 186 A HN 0.458 nan 8.150 nan 0.000 0.474 187 P HA 0.242 nan 4.420 nan 0.000 0.267 187 P C -2.717 174.601 177.300 0.030 0.000 1.205 187 P CA -0.853 62.265 63.100 0.030 0.000 0.765 187 P CB 0.165 31.875 31.700 0.015 0.000 0.828 188 P HA 0.067 nan 4.420 nan 0.000 0.265 188 P C 0.873 178.152 177.300 -0.035 0.000 1.187 188 P CA 0.340 63.453 63.100 0.022 0.000 0.766 188 P CB 0.392 32.100 31.700 0.013 0.000 0.820 189 R N 1.049 121.514 120.500 -0.058 0.000 2.404 189 R HA 0.185 4.580 4.340 0.092 0.000 0.237 189 R C -0.058 175.849 176.300 -0.655 0.000 0.907 189 R CA 0.097 56.043 56.100 -0.256 0.000 1.063 189 R CB 0.219 30.427 30.300 -0.153 0.000 1.134 189 R HN 0.688 nan 8.270 nan 0.000 0.529 190 H N -0.823 118.151 119.070 -0.160 0.000 3.064 190 H HA 0.209 4.819 4.556 0.091 0.000 0.352 190 H C -0.926 174.278 175.328 -0.206 0.000 1.260 190 H CA -0.935 54.945 56.048 -0.280 0.000 1.160 190 H CB 1.702 31.073 29.762 -0.653 0.000 1.879 190 H HN -0.141 nan 8.280 nan 0.000 0.544 191 R N 0.953 121.432 120.500 -0.035 0.000 2.697 191 R HA 0.049 4.444 4.340 0.092 0.000 0.265 191 R C -0.666 175.603 176.300 -0.052 0.000 1.009 191 R CA 0.249 56.322 56.100 -0.045 0.000 1.099 191 R CB 0.359 30.629 30.300 -0.050 0.000 0.965 191 R HN 0.628 nan 8.270 nan 0.000 0.428 192 T N 4.547 119.075 114.554 -0.043 0.000 2.834 192 T HA 0.060 4.465 4.350 0.092 0.000 0.298 192 T C -0.454 174.142 174.700 -0.173 0.000 0.966 192 T CA -0.073 61.992 62.100 -0.059 0.000 1.141 192 T CB 0.880 69.736 68.868 -0.020 0.000 0.905 192 T HN 0.482 nan 8.240 nan 0.000 0.535 193 Q N 2.052 121.692 119.800 -0.267 0.000 2.290 193 Q HA 0.515 4.910 4.340 0.092 0.000 0.259 193 Q C -0.716 174.815 176.000 -0.781 0.000 0.941 193 Q CA -0.489 55.000 55.803 -0.524 0.000 0.912 193 Q CB 1.512 29.904 28.738 -0.576 0.000 1.244 193 Q HN 0.449 nan 8.270 nan 0.000 0.441 194 V N 4.124 123.572 119.914 -0.777 0.000 2.394 194 V HA 0.485 4.660 4.120 0.092 0.000 0.282 194 V C -0.775 174.920 176.094 -0.665 0.000 1.031 194 V CA -0.534 61.320 62.300 -0.744 0.000 0.881 194 V CB 0.242 31.677 31.823 -0.647 0.000 0.982 194 V HN 0.574 nan 8.190 nan 0.000 0.451 195 F N 3.204 123.071 119.950 -0.139 0.000 2.522 195 F HA 0.649 5.232 4.527 0.092 0.000 0.324 195 F C 0.304 176.158 175.800 0.090 0.000 1.077 195 F CA -0.876 57.137 58.000 0.022 0.000 0.944 195 F CB 1.811 40.899 39.000 0.147 0.000 1.175 195 F HN 0.310 nan 8.300 nan 0.000 0.468 196 R N 2.512 123.181 120.500 0.282 0.000 2.295 196 R HA 0.402 4.797 4.340 0.092 0.000 0.324 196 R C -1.276 175.139 176.300 0.192 0.000 0.968 196 R CA -0.542 55.670 56.100 0.186 0.000 0.837 196 R CB 0.456 30.809 30.300 0.090 0.000 1.133 196 R HN 0.632 nan 8.270 nan 0.000 0.450 197 N N 5.815 124.640 118.700 0.209 0.000 2.424 197 N HA 0.305 5.100 4.740 0.092 0.000 0.271 197 N C -0.820 174.856 175.510 0.277 0.000 0.985 197 N CA -0.304 52.880 53.050 0.224 0.000 0.921 197 N CB 1.813 40.418 38.487 0.198 0.000 1.149 197 N HN 0.519 nan 8.380 nan 0.000 0.492 198 I N 2.668 123.369 120.570 0.217 0.000 2.354 198 I HA 0.203 4.428 4.170 0.092 0.000 0.286 198 I C -0.314 175.933 176.117 0.216 0.000 1.007 198 I CA -0.825 60.595 61.300 0.200 0.000 1.167 198 I CB 1.429 39.511 38.000 0.136 0.000 1.320 198 I HN 0.191 nan 8.210 nan 0.000 0.458 199 L N 9.359 130.595 121.223 0.021 0.000 2.260 199 L HA 0.565 4.960 4.340 0.092 0.000 0.289 199 L C -0.759 176.152 176.870 0.068 0.000 1.057 199 L CA 0.132 54.885 54.840 -0.145 0.000 0.811 199 L CB 0.194 41.861 42.059 -0.653 0.000 1.184 199 L HN 0.444 nan 8.230 nan 0.000 0.429 200 F N 2.872 122.801 119.950 -0.034 0.000 2.629 200 F HA 0.714 5.297 4.527 0.093 0.000 0.316 200 F C -0.790 175.057 175.800 0.078 0.000 1.081 200 F CA -1.279 56.734 58.000 0.023 0.000 0.954 200 F CB 1.250 40.282 39.000 0.052 0.000 1.337 200 F HN 0.445 nan 8.300 nan 0.000 0.474 201 R N 1.620 122.256 120.500 0.226 0.000 2.437 201 R HA 0.819 5.214 4.340 0.092 0.000 0.310 201 R C -1.661 174.808 176.300 0.282 0.000 0.955 201 R CA -0.814 55.374 56.100 0.147 0.000 0.851 201 R CB 1.505 31.854 30.300 0.081 0.000 1.161 201 R HN 1.071 nan 8.270 nan 0.000 0.446 202 A N 6.438 129.430 122.820 0.287 0.000 2.815 202 A HA 0.371 4.746 4.320 0.092 0.000 0.318 202 A C -2.224 175.479 177.584 0.198 0.000 1.186 202 A CA -1.496 50.685 52.037 0.240 0.000 0.754 202 A CB 1.205 20.324 19.000 0.198 0.000 1.151 202 A HN 0.668 nan 8.150 nan 0.000 0.452 203 P HA -0.197 nan 4.420 nan 0.000 0.217 203 P C 0.773 178.109 177.300 0.059 0.000 1.148 203 P CA 1.607 64.759 63.100 0.087 0.000 0.834 203 P CB 0.341 32.077 31.700 0.059 0.000 0.783 204 E N -2.026 118.193 120.200 0.031 0.000 2.526 204 E HA 0.076 4.481 4.350 0.092 0.000 0.208 204 E C 1.467 178.015 176.600 -0.087 0.000 0.997 204 E CA -0.290 56.094 56.400 -0.026 0.000 0.961 204 E CB -0.344 29.330 29.700 -0.044 0.000 1.030 204 E HN 0.085 nan 8.360 nan 0.000 0.483 205 L N 1.879 123.067 121.223 -0.058 0.000 2.042 205 L HA -0.157 4.238 4.340 0.092 0.000 0.210 205 L C 2.329 179.136 176.870 -0.105 0.000 1.076 205 L CA 1.859 56.605 54.840 -0.157 0.000 0.749 205 L CB -0.277 41.668 42.059 -0.190 0.000 0.893 205 L HN -0.020 nan 8.230 nan 0.000 0.432 206 R N -1.275 119.259 120.500 0.057 0.000 2.092 206 R HA -0.113 4.282 4.340 0.092 0.000 0.231 206 R C 2.183 178.450 176.300 -0.054 0.000 1.119 206 R CA 1.444 57.576 56.100 0.054 0.000 0.970 206 R CB -0.134 30.214 30.300 0.080 0.000 0.864 206 R HN 0.430 nan 8.270 nan 0.000 0.440 207 S N 0.916 116.569 115.700 -0.079 0.000 2.383 207 S HA -0.063 4.462 4.470 0.092 0.000 0.227 207 S C 1.830 176.338 174.600 -0.154 0.000 1.026 207 S CA 0.979 59.120 58.200 -0.098 0.000 0.981 207 S CB -0.078 63.073 63.200 -0.083 0.000 0.818 207 S HN 0.296 nan 8.310 nan 0.000 0.472 208 L N 0.668 121.719 121.223 -0.288 0.000 2.156 208 L HA -0.008 4.387 4.340 0.092 0.000 0.208 208 L C 2.108 178.780 176.870 -0.330 0.000 1.095 208 L CA 0.868 55.414 54.840 -0.490 0.000 0.770 208 L CB -0.485 40.864 42.059 -1.183 0.000 0.914 208 L HN 0.279 nan 8.230 nan 0.000 0.439 209 L N -0.933 120.169 121.223 -0.202 0.000 2.095 209 L HA 0.076 4.471 4.340 0.092 0.000 0.204 209 L C 1.794 178.687 176.870 0.038 0.000 1.080 209 L CA 0.780 55.644 54.840 0.040 0.000 0.759 209 L CB -0.853 41.288 42.059 0.137 0.000 0.914 209 L HN 0.440 nan 8.230 nan 0.000 0.439 210 G N 1.000 109.786 108.800 -0.022 0.000 2.591 210 G HA2 -0.375 3.640 3.960 0.092 0.000 0.298 210 G HA3 -0.375 3.640 3.960 0.092 0.000 0.298 210 G C 0.760 175.640 174.900 -0.034 0.000 1.195 210 G CA 0.462 45.543 45.100 -0.032 0.000 0.989 210 G HN 0.442 nan 8.290 nan 0.000 0.551 211 E N 0.922 121.116 120.200 -0.010 0.000 2.418 211 E HA 0.000 4.405 4.350 0.092 0.000 0.197 211 E C 2.254 178.869 176.600 0.025 0.000 1.026 211 E CA 0.995 57.391 56.400 -0.008 0.000 0.862 211 E CB 0.076 29.778 29.700 0.004 0.000 0.799 211 E HN 0.478 nan 8.360 nan 0.000 0.518 212 R N 1.076 121.618 120.500 0.069 0.000 2.313 212 R HA 0.191 4.586 4.340 0.092 0.000 0.199 212 R C 0.698 177.123 176.300 0.208 0.000 0.958 212 R CA 0.450 56.633 56.100 0.137 0.000 1.047 212 R CB 0.105 30.509 30.300 0.173 0.000 0.955 212 R HN 0.164 nan 8.270 nan 0.000 0.481 213 A N 0.309 123.199 122.820 0.117 0.000 2.366 213 A HA 0.642 5.017 4.320 0.092 0.000 0.250 213 A C 0.007 177.585 177.584 -0.011 0.000 1.099 213 A CA 0.277 52.394 52.037 0.133 0.000 0.794 213 A CB 0.358 19.304 19.000 -0.091 0.000 1.056 213 A HN 0.310 nan 8.150 nan 0.000 0.499 214 A N -0.670 122.079 122.820 -0.118 0.000 2.610 214 A HA 0.562 4.937 4.320 0.092 0.000 0.291 214 A C 0.141 177.673 177.584 -0.087 0.000 1.086 214 A CA -0.027 51.827 52.037 -0.305 0.000 0.677 214 A CB 0.411 18.841 19.000 -0.949 0.000 1.278 214 A HN 1.696 nan 8.150 nan 0.000 0.414 215 L N 0.113 121.307 121.223 -0.048 0.000 2.095 215 L HA 0.449 4.844 4.340 0.092 0.000 0.204 215 L C -0.242 176.395 176.870 -0.387 0.000 1.080 215 L CA 1.748 56.522 54.840 -0.111 0.000 0.759 215 L CB -0.304 41.711 42.059 -0.074 0.000 0.914 215 L HN 0.544 nan 8.230 nan 0.000 0.439 216 F N -0.854 118.920 119.950 -0.295 0.000 2.467 216 F HA 0.433 5.015 4.527 0.091 0.000 0.336 216 F C -0.737 174.762 175.800 -0.501 0.000 1.123 216 F CA -0.551 57.237 58.000 -0.354 0.000 0.964 216 F CB 1.402 40.226 39.000 -0.294 0.000 1.136 216 F HN -0.299 nan 8.300 nan 0.000 0.447 217 F N 4.002 123.869 119.950 -0.138 0.000 2.382 217 F HA 0.406 4.989 4.527 0.092 0.000 0.361 217 F C -0.801 174.816 175.800 -0.304 0.000 1.109 217 F CA -1.188 56.731 58.000 -0.135 0.000 1.031 217 F CB 0.776 39.766 39.000 -0.018 0.000 1.234 217 F HN 0.203 nan 8.300 nan 0.000 0.445 218 F N 5.054 124.932 119.950 -0.120 0.000 2.368 218 F HA 0.386 4.968 4.527 0.091 0.000 0.362 218 F C 0.069 175.804 175.800 -0.108 0.000 1.137 218 F CA -0.548 57.308 58.000 -0.241 0.000 1.161 218 F CB 0.331 38.824 39.000 -0.845 0.000 1.265 218 F HN 0.168 nan 8.300 nan 0.000 0.530 219 L N 4.190 125.389 121.223 -0.040 0.000 2.452 219 L HA 0.306 4.701 4.340 0.092 0.000 0.267 219 L C 0.331 177.115 176.870 -0.144 0.000 1.188 219 L CA 0.322 55.052 54.840 -0.184 0.000 0.821 219 L CB 0.458 42.180 42.059 -0.561 0.000 1.102 219 L HN 0.532 nan 8.230 nan 0.000 0.470 220 M N 3.689 123.254 119.600 -0.059 0.000 2.850 220 M HA 0.309 4.844 4.480 0.092 0.000 0.288 220 M C -0.927 175.415 176.300 0.070 0.000 1.450 220 M CA -0.092 55.222 55.300 0.023 0.000 0.555 220 M CB 0.646 33.312 32.600 0.110 0.000 1.507 220 M HN 0.417 nan 8.290 nan 0.000 0.415 226 R N 0.487 121.101 120.500 0.189 0.000 2.575 226 R HA 0.966 5.361 4.340 0.092 0.000 0.293 226 R C -0.819 175.609 176.300 0.214 0.000 0.983 226 R CA -0.059 56.057 56.100 0.027 0.000 0.887 226 R CB 0.759 31.135 30.300 0.126 0.000 1.184 226 R HN 1.881 nan 8.270 nan 0.000 0.445 227 F N -0.488 119.593 119.950 0.218 0.000 2.878 227 F HA 0.788 5.370 4.527 0.091 0.000 0.322 227 F C -3.169 172.722 175.800 0.152 0.000 1.154 227 F CA -2.704 55.422 58.000 0.210 0.000 0.896 227 F CB 1.376 40.479 39.000 0.172 0.000 1.313 227 F HN 0.474 nan 8.300 nan 0.000 0.451 228 P HA 0.547 nan 4.420 nan 0.000 0.290 228 P C -1.629 175.764 177.300 0.155 0.000 1.275 228 P CA -0.387 62.693 63.100 -0.033 0.000 0.841 228 P CB 2.876 34.367 31.700 -0.348 0.000 1.042 229 L N 3.109 124.400 121.223 0.114 0.000 2.381 229 L HA 0.539 4.934 4.340 0.092 0.000 0.274 229 L C -0.306 176.650 176.870 0.144 0.000 0.988 229 L CA -0.714 54.258 54.840 0.220 0.000 0.824 229 L CB 1.612 43.855 42.059 0.307 0.000 1.263 229 L HN 0.318 nan 8.230 nan 0.000 0.410 230 R N 3.246 123.779 120.500 0.055 0.000 2.664 230 R HA 0.685 5.080 4.340 0.092 0.000 0.286 230 R C -0.694 175.581 176.300 -0.043 0.000 0.967 230 R CA -0.792 55.227 56.100 -0.134 0.000 0.933 230 R CB 2.052 32.134 30.300 -0.362 0.000 1.146 230 R HN 0.720 nan 8.270 nan 0.000 0.468 231 A N 3.514 126.264 122.820 -0.118 0.000 2.343 231 A HA 0.132 4.507 4.320 0.092 0.000 0.305 231 A C 0.729 178.133 177.584 -0.299 0.000 1.308 231 A CA -0.328 51.568 52.037 -0.234 0.000 0.949 231 A CB 0.237 19.194 19.000 -0.071 0.000 1.148 231 A HN 0.701 nan 8.150 nan 0.000 0.545 232 L N 1.987 122.974 121.223 -0.393 0.000 2.007 232 L HA -0.026 4.369 4.340 0.092 0.000 0.205 232 L C 1.861 178.597 176.870 -0.222 0.000 1.073 232 L CA 2.650 57.301 54.840 -0.315 0.000 0.744 232 L CB -0.115 41.740 42.059 -0.339 0.000 0.898 232 L HN 0.835 nan 8.230 nan 0.000 0.435 233 D N -2.370 117.882 120.400 -0.247 0.000 2.431 233 D HA 0.164 4.859 4.640 0.092 0.000 0.213 233 D C 1.377 177.653 176.300 -0.039 0.000 1.130 233 D CA 0.567 54.475 54.000 -0.153 0.000 0.834 233 D CB -0.079 40.532 40.800 -0.315 0.000 0.985 233 D HN 0.297 nan 8.370 nan 0.000 0.504 234 G N 1.330 109.969 108.800 -0.269 0.000 2.203 234 G HA2 -0.360 3.655 3.960 0.092 0.000 0.263 234 G HA3 -0.360 3.655 3.960 0.092 0.000 0.263 234 G C 0.562 175.317 174.900 -0.240 0.000 1.012 234 G CA 0.274 45.023 45.100 -0.585 0.000 0.749 234 G HN 0.478 nan 8.290 nan 0.000 0.512 235 R N -1.387 119.002 120.500 -0.184 0.000 2.617 235 R HA 0.454 4.849 4.340 0.092 0.000 0.432 235 R C 1.397 177.656 176.300 -0.069 0.000 1.018 235 R CA 0.363 56.420 56.100 -0.072 0.000 1.077 235 R CB 0.586 30.900 30.300 0.023 0.000 1.394 235 R HN 1.146 nan 8.270 nan 0.000 0.608 236 G N 0.480 109.201 108.800 -0.133 0.000 2.259 236 G HA2 -0.226 3.789 3.960 0.092 0.000 0.217 236 G HA3 -0.226 3.789 3.960 0.092 0.000 0.217 236 G C -0.008 174.824 174.900 -0.114 0.000 1.001 236 G CA -0.628 44.484 45.100 0.021 0.000 0.627 236 G HN 0.184 nan 8.290 nan 0.000 0.501 237 L N 1.541 122.534 121.223 -0.384 0.000 2.260 237 L HA 0.627 5.022 4.340 0.092 0.000 0.289 237 L C -0.032 176.401 176.870 -0.729 0.000 1.057 237 L CA -0.634 53.951 54.840 -0.425 0.000 0.811 237 L CB 0.514 42.360 42.059 -0.356 0.000 1.184 237 L HN 0.242 nan 8.230 nan 0.000 0.429 238 Y N 2.731 122.654 120.300 -0.627 0.000 2.630 238 Y HA 0.646 5.252 4.550 0.093 0.000 0.337 238 Y C -0.068 175.453 175.900 -0.631 0.000 1.051 238 Y CA -1.067 56.620 58.100 -0.689 0.000 1.121 238 Y CB 1.739 39.614 38.460 -0.975 0.000 1.299 238 Y HN 0.407 nan 8.280 nan 0.000 0.498 239 R N 1.633 122.055 120.500 -0.131 0.000 2.515 239 R HA 0.510 4.905 4.340 0.092 0.000 0.291 239 R C -2.283 174.129 176.300 0.187 0.000 1.046 239 R CA -0.494 55.621 56.100 0.025 0.000 0.914 239 R CB 1.173 31.456 30.300 -0.027 0.000 1.191 239 R HN 0.821 nan 8.270 nan 0.000 0.435 240 L N 3.865 125.269 121.223 0.303 0.000 2.282 240 L HA 0.542 4.937 4.340 0.092 0.000 0.288 240 L C -0.989 175.965 176.870 0.140 0.000 1.033 240 L CA -0.276 54.716 54.840 0.253 0.000 0.807 240 L CB 1.943 44.139 42.059 0.228 0.000 1.209 240 L HN 0.692 nan 8.230 nan 0.000 0.423 241 T N 4.521 119.151 114.554 0.127 0.000 2.809 241 T HA 0.343 4.748 4.350 0.092 0.000 0.296 241 T C -0.738 174.000 174.700 0.063 0.000 1.015 241 T CA -0.250 61.909 62.100 0.098 0.000 0.954 241 T CB 1.564 70.469 68.868 0.062 0.000 0.950 241 T HN 0.344 nan 8.240 nan 0.000 0.450 242 V N 3.513 123.424 119.914 -0.005 0.000 2.540 242 V HA 0.836 5.011 4.120 0.092 0.000 0.302 242 V C 0.364 176.571 176.094 0.189 0.000 1.035 242 V CA -0.400 61.842 62.300 -0.096 0.000 0.873 242 V CB 1.502 33.032 31.823 -0.488 0.000 0.992 242 V HN 0.941 nan 8.190 nan 0.000 0.428 243 G N 4.287 113.264 108.800 0.295 0.000 2.403 243 G HA2 0.476 4.491 3.960 0.092 0.000 0.259 243 G HA3 0.476 4.491 3.960 0.092 0.000 0.259 243 G C -0.648 174.276 174.900 0.039 0.000 1.244 243 G CA -0.066 45.158 45.100 0.206 0.000 0.849 243 G HN 1.205 nan 8.290 nan 0.000 0.532 244 V N 1.523 121.397 119.914 -0.066 0.000 2.350 244 V HA 0.783 4.958 4.120 0.092 0.000 0.285 244 V C -0.142 175.894 176.094 -0.097 0.000 1.014 244 V CA 0.773 63.036 62.300 -0.061 0.000 0.831 244 V CB 0.521 32.310 31.823 -0.057 0.000 1.000 244 V HN 1.265 nan 8.190 nan 0.000 0.433 252 M N 1.716 121.318 119.600 0.003 0.000 2.113 252 M HA 0.251 4.786 4.480 0.092 0.000 0.288 252 M C 0.693 176.997 176.300 0.008 0.000 1.225 252 M CA -0.040 55.261 55.300 0.003 0.000 1.148 252 M CB 0.222 32.816 32.600 -0.009 0.000 1.388 252 M HN 0.638 nan 8.290 nan 0.000 0.469 253 D N -0.295 120.116 120.400 0.019 0.000 2.341 253 D HA 0.085 4.780 4.640 0.092 0.000 0.245 253 D C 0.904 177.222 176.300 0.031 0.000 1.106 253 D CA 0.127 54.151 54.000 0.040 0.000 0.905 253 D CB 1.039 41.882 40.800 0.072 0.000 1.202 253 D HN 0.585 nan 8.370 nan 0.000 0.426 254 S N 3.035 118.763 115.700 0.047 0.000 2.365 254 S HA -0.270 4.255 4.470 0.092 0.000 0.225 254 S C 2.016 176.625 174.600 0.014 0.000 1.039 254 S CA 0.833 59.052 58.200 0.031 0.000 1.033 254 S CB -0.804 62.434 63.200 0.063 0.000 0.887 254 S HN 0.629 nan 8.310 nan 0.000 0.447 255 F N 2.929 122.838 119.950 -0.068 0.000 2.134 255 F HA 0.006 4.588 4.527 0.091 0.000 0.299 255 F C 2.445 178.183 175.800 -0.103 0.000 1.097 255 F CA 1.832 59.776 58.000 -0.094 0.000 1.264 255 F CB -0.526 38.437 39.000 -0.061 0.000 1.001 255 F HN 0.245 nan 8.300 nan 0.000 0.479 256 E N 0.329 120.483 120.200 -0.075 0.000 2.274 256 E HA -0.111 4.294 4.350 0.092 0.000 0.194 256 E C 2.037 178.523 176.600 -0.190 0.000 0.996 256 E CA 1.059 57.368 56.400 -0.151 0.000 0.840 256 E CB -0.374 29.317 29.700 -0.015 0.000 0.772 256 E HN 0.540 nan 8.360 nan 0.000 0.491 257 L N -0.929 120.192 121.223 -0.170 0.000 2.023 257 L HA -0.117 4.278 4.340 0.092 0.000 0.205 257 L C 2.316 179.058 176.870 -0.214 0.000 1.073 257 L CA 0.863 55.611 54.840 -0.154 0.000 0.745 257 L CB -0.544 41.425 42.059 -0.150 0.000 0.900 257 L HN 0.050 nan 8.230 nan 0.000 0.435 258 V N -0.248 119.456 119.914 -0.351 0.000 2.255 258 V HA -0.283 3.892 4.120 0.092 0.000 0.247 258 V C 2.721 178.539 176.094 -0.461 0.000 1.051 258 V CA 1.606 63.599 62.300 -0.511 0.000 1.018 258 V CB -0.728 30.559 31.823 -0.893 0.000 0.641 258 V HN 0.414 nan 8.190 nan 0.000 0.445 259 R N -0.225 119.935 120.500 -0.566 0.000 2.117 259 R HA -0.159 4.236 4.340 0.092 0.000 0.243 259 R C 2.374 178.513 176.300 -0.268 0.000 1.143 259 R CA 1.551 57.366 56.100 -0.475 0.000 0.968 259 R CB -0.693 29.252 30.300 -0.591 0.000 0.863 259 R HN 0.477 nan 8.270 nan 0.000 0.444 260 R N -0.105 120.272 120.500 -0.204 0.000 2.090 260 R HA 0.020 4.415 4.340 0.092 0.000 0.228 260 R C 2.005 178.254 176.300 -0.084 0.000 1.110 260 R CA 1.182 57.213 56.100 -0.114 0.000 0.973 260 R CB -0.075 30.191 30.300 -0.056 0.000 0.869 260 R HN 0.189 nan 8.270 nan 0.000 0.440 261 A N 0.052 122.838 122.820 -0.057 0.000 2.067 261 A HA 0.067 4.442 4.320 0.092 0.000 0.217 261 A C 0.544 178.059 177.584 -0.115 0.000 1.156 261 A CA 0.470 52.496 52.037 -0.018 0.000 0.683 261 A CB 0.431 19.506 19.000 0.124 0.000 0.808 261 A HN 0.084 nan 8.150 nan 0.000 0.455 262 V N 0.172 119.992 119.914 -0.156 0.000 2.328 262 V HA 0.449 4.624 4.120 0.092 0.000 0.278 262 V C 1.130 177.114 176.094 -0.184 0.000 1.021 262 V CA 0.015 62.221 62.300 -0.158 0.000 0.838 262 V CB 0.829 32.586 31.823 -0.110 0.000 0.999 262 V HN 0.395 nan 8.190 nan 0.000 0.447 263 A N 4.614 127.254 122.820 -0.300 0.000 2.239 263 A HA 0.208 4.583 4.320 0.092 0.000 0.209 263 A C 0.522 177.872 177.584 -0.390 0.000 1.171 263 A CA 0.643 52.462 52.037 -0.364 0.000 0.768 263 A CB -0.363 18.361 19.000 -0.460 0.000 0.790 263 A HN 0.558 nan 8.150 nan 0.000 0.478 264 F N -0.766 119.118 119.950 -0.110 0.000 2.377 264 F HA 0.408 4.990 4.527 0.092 0.000 0.328 264 F C 0.330 176.087 175.800 -0.072 0.000 1.094 264 F CA -1.163 56.788 58.000 -0.082 0.000 1.093 264 F CB 0.821 39.774 39.000 -0.078 0.000 1.214 264 F HN -0.024 nan 8.300 nan 0.000 0.518 265 D N 0.870 121.378 120.400 0.180 0.000 2.505 265 D HA 0.256 4.951 4.640 0.092 0.000 0.242 265 D C -0.481 175.873 176.300 0.090 0.000 1.136 265 D CA 0.228 54.283 54.000 0.092 0.000 0.954 265 D CB 0.405 41.245 40.800 0.067 0.000 1.002 265 D HN 0.486 nan 8.370 nan 0.000 0.512 266 T N 0.674 115.278 114.554 0.082 0.000 2.865 266 T HA 0.273 4.678 4.350 0.092 0.000 0.294 266 T C -0.909 173.838 174.700 0.078 0.000 1.119 266 T CA -0.766 61.369 62.100 0.058 0.000 1.007 266 T CB 1.245 70.123 68.868 0.015 0.000 1.225 266 T HN 0.192 nan 8.240 nan 0.000 0.515 267 E N 1.641 121.885 120.200 0.074 0.000 2.493 267 E HA 0.211 4.616 4.350 0.092 0.000 0.255 267 E C -0.831 175.856 176.600 0.146 0.000 0.999 267 E CA 0.357 56.818 56.400 0.102 0.000 0.934 267 E CB 0.148 29.895 29.700 0.077 0.000 0.940 267 E HN 0.408 nan 8.360 nan 0.000 0.473 268 I N 5.184 125.880 120.570 0.209 0.000 2.503 268 I HA 0.117 4.342 4.170 0.092 0.000 0.282 268 I C -0.864 175.445 176.117 0.319 0.000 1.059 268 I CA -0.486 60.971 61.300 0.262 0.000 1.081 268 I CB 1.590 39.679 38.000 0.148 0.000 1.210 268 I HN 0.535 nan 8.210 nan 0.000 0.450 269 E N 6.795 127.151 120.200 0.260 0.000 2.141 269 E HA 0.459 4.864 4.350 0.092 0.000 0.259 269 E C -1.168 175.563 176.600 0.217 0.000 0.883 269 E CA -0.746 55.769 56.400 0.191 0.000 0.744 269 E CB 1.777 31.542 29.700 0.109 0.000 1.150 269 E HN 0.208 nan 8.360 nan 0.000 0.420 270 V N 5.534 125.575 119.914 0.212 0.000 2.529 270 V HA -0.053 4.122 4.120 0.092 0.000 0.292 270 V C 1.054 177.214 176.094 0.110 0.000 1.028 270 V CA 0.322 62.735 62.300 0.189 0.000 1.074 270 V CB 0.459 32.376 31.823 0.158 0.000 0.958 270 V HN 0.858 nan 8.190 nan 0.000 0.481 271 L N 3.205 124.474 121.223 0.076 0.000 2.425 271 L HA 0.289 4.684 4.340 0.092 0.000 0.215 271 L C 0.935 177.799 176.870 -0.010 0.000 1.065 271 L CA 0.638 55.482 54.840 0.008 0.000 0.842 271 L CB 0.468 42.498 42.059 -0.048 0.000 1.033 271 L HN 0.685 nan 8.230 nan 0.000 0.474 272 S N -0.683 115.002 115.700 -0.025 0.000 2.537 272 S HA 0.383 4.908 4.470 0.092 0.000 0.270 272 S C -1.882 172.785 174.600 0.111 0.000 1.142 272 S CA -0.585 57.633 58.200 0.030 0.000 0.870 272 S CB 1.902 65.096 63.200 -0.009 0.000 1.112 272 S HN 0.191 nan 8.310 nan 0.000 0.466 273 D N 2.143 122.645 120.400 0.170 0.000 2.517 273 D HA 0.398 5.093 4.640 0.092 0.000 0.263 273 D C -0.356 176.043 176.300 0.165 0.000 1.233 273 D CA -0.216 53.888 54.000 0.174 0.000 0.849 273 D CB 0.660 41.527 40.800 0.113 0.000 1.261 273 D HN 0.479 nan 8.370 nan 0.000 0.516 274 S N 1.169 116.985 115.700 0.193 0.000 2.747 274 S HA 0.677 5.202 4.470 0.092 0.000 0.300 274 S C 0.115 174.797 174.600 0.137 0.000 1.121 274 S CA -0.937 57.334 58.200 0.119 0.000 0.995 274 S CB 2.146 65.368 63.200 0.037 0.000 1.113 274 S HN 0.348 nan 8.310 nan 0.000 0.547 275 E N -0.377 119.920 120.200 0.161 0.000 2.207 275 E HA 0.469 4.874 4.350 0.092 0.000 0.270 275 E C -2.009 174.812 176.600 0.368 0.000 0.927 275 E CA -0.700 55.843 56.400 0.238 0.000 0.799 275 E CB 1.151 30.990 29.700 0.230 0.000 1.172 275 E HN 0.652 nan 8.360 nan 0.000 0.404 276 W N 3.716 125.127 121.300 0.186 0.000 2.715 276 W HA 0.347 5.063 4.660 0.093 0.000 0.331 276 W C -1.724 174.939 176.519 0.241 0.000 1.031 276 W CA -0.670 56.810 57.345 0.225 0.000 1.237 276 W CB 0.775 30.346 29.460 0.186 0.000 1.378 276 W HN 0.556 nan 8.180 nan 0.000 0.454 277 H N 5.830 124.876 119.070 -0.041 0.000 2.597 277 H HA 0.408 5.018 4.556 0.091 0.000 0.303 277 H C -0.526 174.538 175.328 -0.440 0.000 1.057 277 H CA -0.656 55.252 56.048 -0.234 0.000 1.261 277 H CB 1.230 30.959 29.762 -0.054 0.000 1.397 277 H HN 0.330 nan 8.280 nan 0.000 0.461 278 L N 3.837 124.716 121.223 -0.573 0.000 2.255 278 L HA 0.380 4.775 4.340 0.092 0.000 0.289 278 L C -0.417 176.415 176.870 -0.062 0.000 1.046 278 L CA 0.021 54.599 54.840 -0.438 0.000 0.816 278 L CB 0.664 42.324 42.059 -0.665 0.000 1.197 278 L HN 0.513 nan 8.230 nan 0.000 0.427 279 T N 4.318 118.915 114.554 0.070 0.000 2.963 279 T HA 0.324 4.729 4.350 0.092 0.000 0.343 279 T C -0.268 174.580 174.700 0.246 0.000 1.146 279 T CA -0.298 61.901 62.100 0.166 0.000 1.016 279 T CB -0.366 68.568 68.868 0.110 0.000 1.046 279 T HN 0.509 nan 8.240 nan 0.000 0.496 280 H N 4.057 123.182 119.070 0.092 0.000 3.257 280 H HA 0.074 4.686 4.556 0.092 0.000 0.256 280 H C 0.523 175.919 175.328 0.113 0.000 0.885 280 H CA 0.279 56.407 56.048 0.134 0.000 1.406 280 H CB 0.336 30.221 29.762 0.206 0.000 1.506 280 H HN 0.255 nan 8.280 nan 0.000 0.527 281 R N 2.338 122.970 120.500 0.221 0.000 2.673 281 R HA 0.517 4.912 4.340 0.092 0.000 0.281 281 R C -1.302 175.106 176.300 0.180 0.000 0.991 281 R CA -0.939 55.260 56.100 0.166 0.000 0.896 281 R CB 2.764 33.140 30.300 0.128 0.000 1.201 281 R HN 0.228 nan 8.270 nan 0.000 0.457 282 V N 1.865 121.883 119.914 0.173 0.000 2.525 282 V HA 0.415 4.590 4.120 0.092 0.000 0.299 282 V C -0.055 176.168 176.094 0.215 0.000 1.034 282 V CA -1.043 61.396 62.300 0.232 0.000 0.863 282 V CB 1.739 33.715 31.823 0.255 0.000 0.999 282 V HN 0.981 nan 8.190 nan 0.000 0.423 283 A N 2.820 125.785 122.820 0.240 0.000 2.540 283 A HA 0.160 4.535 4.320 0.092 0.000 0.239 283 A C 1.121 178.856 177.584 0.251 0.000 1.061 283 A CA 0.050 52.217 52.037 0.216 0.000 0.758 283 A CB -0.012 19.092 19.000 0.173 0.000 0.991 283 A HN 0.885 nan 8.150 nan 0.000 0.502 284 D N 0.440 120.922 120.400 0.138 0.000 2.218 284 D HA -0.018 4.677 4.640 0.092 0.000 0.204 284 D C 0.544 176.884 176.300 0.066 0.000 0.976 284 D CA 1.851 55.897 54.000 0.078 0.000 0.853 284 D CB 0.187 41.013 40.800 0.044 0.000 0.939 284 D HN 0.390 nan 8.370 nan 0.000 0.481 285 S N -1.368 114.413 115.700 0.135 0.000 2.540 285 S HA 0.334 4.859 4.470 0.092 0.000 0.275 285 S C -0.539 174.268 174.600 0.345 0.000 1.123 285 S CA -0.639 57.635 58.200 0.124 0.000 0.907 285 S CB 0.680 63.909 63.200 0.047 0.000 1.081 285 S HN -0.181 nan 8.310 nan 0.000 0.476 286 F N 2.600 122.523 119.950 -0.046 0.000 2.693 286 F HA 0.386 4.968 4.527 0.091 0.000 0.303 286 F C 1.190 177.004 175.800 0.024 0.000 1.097 286 F CA -0.098 57.902 58.000 0.000 0.000 1.330 286 F CB -0.297 38.651 39.000 -0.086 0.000 1.067 286 F HN 0.598 nan 8.300 nan 0.000 0.565 287 S N -0.778 114.948 115.700 0.045 0.000 2.597 287 S HA 0.788 5.313 4.470 0.092 0.000 0.274 287 S C -1.349 173.112 174.600 -0.232 0.000 1.132 287 S CA -0.597 57.434 58.200 -0.282 0.000 0.835 287 S CB 1.390 64.062 63.200 -0.879 0.000 1.092 287 S HN 0.251 nan 8.310 nan 0.000 0.457 288 A N 1.102 123.760 122.820 -0.270 0.000 2.446 288 A HA 0.883 5.258 4.320 0.092 0.000 0.282 288 A C 0.977 178.467 177.584 -0.157 0.000 1.102 288 A CA 0.233 52.182 52.037 -0.147 0.000 0.737 288 A CB 0.237 19.204 19.000 -0.055 0.000 1.212 288 A HN 2.786 nan 8.150 nan 0.000 0.434 289 G N 2.439 111.161 108.800 -0.130 0.000 2.596 289 G HA2 -0.323 3.692 3.960 0.092 0.000 0.304 289 G HA3 -0.323 3.692 3.960 0.092 0.000 0.304 289 G C 0.698 175.560 174.900 -0.065 0.000 1.189 289 G CA 0.797 45.853 45.100 -0.072 0.000 0.986 289 G HN 0.951 nan 8.290 nan 0.000 0.548 290 R N -0.272 120.236 120.500 0.012 0.000 2.426 290 R HA 0.427 4.822 4.340 0.092 0.000 0.263 290 R C -0.173 176.252 176.300 0.209 0.000 0.961 290 R CA 0.056 56.274 56.100 0.197 0.000 1.086 290 R CB 0.506 30.829 30.300 0.038 0.000 1.186 290 R HN 0.249 nan 8.270 nan 0.000 0.537 291 V N 1.451 121.334 119.914 -0.051 0.000 2.417 291 V HA 0.392 4.567 4.120 0.092 0.000 0.291 291 V C -0.511 175.454 176.094 -0.214 0.000 1.024 291 V CA -0.625 61.623 62.300 -0.087 0.000 0.861 291 V CB 1.203 32.889 31.823 -0.227 0.000 0.985 291 V HN -0.016 nan 8.190 nan 0.000 0.436 292 F N 4.099 124.009 119.950 -0.067 0.000 2.556 292 F HA 0.724 5.308 4.527 0.095 0.000 0.327 292 F C -0.047 175.716 175.800 -0.063 0.000 1.059 292 F CA -0.926 57.050 58.000 -0.040 0.000 0.953 292 F CB 1.762 40.693 39.000 -0.116 0.000 1.227 292 F HN 0.179 nan 8.300 nan 0.000 0.478 293 L N 1.513 122.841 121.223 0.176 0.000 2.362 293 L HA 0.718 5.113 4.340 0.092 0.000 0.275 293 L C -0.791 176.055 176.870 -0.039 0.000 0.998 293 L CA -0.396 54.440 54.840 -0.007 0.000 0.820 293 L CB 2.112 44.105 42.059 -0.110 0.000 1.270 293 L HN 0.618 nan 8.230 nan 0.000 0.415 294 T N 0.626 115.111 114.554 -0.114 0.000 2.883 294 T HA 0.774 5.179 4.350 0.092 0.000 0.301 294 T C 0.134 174.708 174.700 -0.211 0.000 1.158 294 T CA 0.098 62.120 62.100 -0.131 0.000 1.007 294 T CB 2.106 70.939 68.868 -0.059 0.000 1.186 294 T HN 1.043 nan 8.240 nan 0.000 0.499 295 G N 1.886 110.532 108.800 -0.257 0.000 2.553 295 G HA2 -0.238 3.777 3.960 0.092 0.000 0.242 295 G HA3 -0.238 3.777 3.960 0.092 0.000 0.242 295 G C 0.318 175.056 174.900 -0.270 0.000 1.277 295 G CA 0.508 45.510 45.100 -0.163 0.000 0.910 295 G HN 0.680 nan 8.290 nan 0.000 0.576 296 D N 0.539 120.897 120.400 -0.070 0.000 2.182 296 D HA 0.086 4.781 4.640 0.092 0.000 0.201 296 D C 2.746 178.997 176.300 -0.081 0.000 0.986 296 D CA 2.308 56.302 54.000 -0.010 0.000 0.847 296 D CB -0.688 40.147 40.800 0.059 0.000 0.942 296 D HN 0.932 nan 8.370 nan 0.000 0.467 297 A N 0.564 123.311 122.820 -0.122 0.000 1.940 297 A HA -0.088 4.287 4.320 0.092 0.000 0.219 297 A C 2.220 179.678 177.584 -0.210 0.000 1.176 297 A CA 2.265 54.230 52.037 -0.121 0.000 0.631 297 A CB -0.461 18.474 19.000 -0.108 0.000 0.814 297 A HN 0.271 nan 8.150 nan 0.000 0.446 298 A N -1.204 121.356 122.820 -0.434 0.000 1.997 298 A HA 0.376 4.751 4.320 0.092 0.000 0.212 298 A C 0.642 177.935 177.584 -0.485 0.000 1.178 298 A CA 1.077 52.674 52.037 -0.734 0.000 0.698 298 A CB -0.078 18.081 19.000 -1.400 0.000 0.842 298 A HN 0.915 nan 8.150 nan 0.000 0.458 299 H N -2.591 116.398 119.070 -0.135 0.000 3.179 299 H HA 0.552 5.163 4.556 0.091 0.000 0.331 299 H C -1.374 173.992 175.328 0.062 0.000 1.013 299 H CA -0.772 55.292 56.048 0.027 0.000 1.430 299 H CB -0.360 29.466 29.762 0.107 0.000 1.895 299 H HN -0.137 nan 8.280 nan 0.000 0.468 300 T N 5.393 120.090 114.554 0.238 0.000 2.758 300 T HA 0.562 4.967 4.350 0.092 0.000 0.285 300 T C 0.142 174.945 174.700 0.171 0.000 0.981 300 T CA -0.675 61.547 62.100 0.202 0.000 0.965 300 T CB 0.326 69.294 68.868 0.167 0.000 0.927 300 T HN 0.468 nan 8.240 nan 0.000 0.448 301 L N 1.124 122.437 121.223 0.151 0.000 2.256 301 L HA 0.674 5.069 4.340 0.092 0.000 0.261 301 L C 0.639 177.482 176.870 -0.045 0.000 1.022 301 L CA -1.293 53.582 54.840 0.058 0.000 0.828 301 L CB 1.475 43.652 42.059 0.197 0.000 1.374 301 L HN 0.457 nan 8.230 nan 0.000 0.436 302 S N 0.851 116.434 115.700 -0.194 0.000 2.565 302 S HA 0.245 4.770 4.470 0.092 0.000 0.276 302 S C -1.500 173.151 174.600 0.083 0.000 1.326 302 S CA -1.234 56.886 58.200 -0.133 0.000 1.045 302 S CB 0.847 63.948 63.200 -0.166 0.000 0.918 302 S HN 0.472 nan 8.310 nan 0.000 0.505 303 P HA 0.000 nan 4.420 nan 0.000 0.230 303 P C -0.061 177.308 177.300 0.115 0.000 1.158 303 P CA 0.176 63.388 63.100 0.187 0.000 0.769 303 P CB -0.162 31.699 31.700 0.269 0.000 0.807 304 S N 0.512 116.250 115.700 0.063 0.000 2.575 304 S HA 0.267 4.792 4.470 0.092 0.000 0.295 304 S C 1.624 176.200 174.600 -0.040 0.000 1.267 304 S CA 0.935 59.121 58.200 -0.023 0.000 1.074 304 S CB -0.776 62.389 63.200 -0.057 0.000 0.829 304 S HN 0.493 nan 8.310 nan 0.000 0.497 305 G N 2.579 111.303 108.800 -0.128 0.000 2.155 305 G HA2 -0.122 3.893 3.960 0.092 0.000 0.257 305 G HA3 -0.122 3.893 3.960 0.092 0.000 0.257 305 G C 1.014 175.945 174.900 0.051 0.000 0.983 305 G CA 0.331 45.374 45.100 -0.094 0.000 0.676 305 G HN 1.975 nan 8.290 nan 0.000 0.528 306 G N -1.080 107.766 108.800 0.077 0.000 2.200 306 G HA2 -0.319 3.696 3.960 0.092 0.000 0.267 306 G HA3 -0.319 3.696 3.960 0.092 0.000 0.267 306 G C 1.059 176.014 174.900 0.093 0.000 0.993 306 G CA 1.051 46.210 45.100 0.098 0.000 0.701 306 G HN 1.438 nan 8.290 nan 0.000 0.524 307 F N 1.478 121.407 119.950 -0.036 0.000 2.147 307 F HA -0.049 4.535 4.527 0.095 0.000 0.301 307 F C 2.479 178.266 175.800 -0.022 0.000 1.084 307 F CA 2.748 60.710 58.000 -0.063 0.000 1.268 307 F CB -0.406 38.532 39.000 -0.103 0.000 1.009 307 F HN 0.203 nan 8.300 nan 0.000 0.486 308 G N 0.018 108.913 108.800 0.159 0.000 2.552 308 G HA2 -0.348 3.667 3.960 0.092 0.000 0.216 308 G HA3 -0.348 3.667 3.960 0.092 0.000 0.216 308 G C 1.690 176.621 174.900 0.053 0.000 1.240 308 G CA 0.883 46.059 45.100 0.127 0.000 0.796 308 G HN 0.438 nan 8.290 nan 0.000 0.568 309 M N 0.600 120.229 119.600 0.049 0.000 2.159 309 M HA -0.054 4.481 4.480 0.092 0.000 0.263 309 M C 2.160 178.466 176.300 0.010 0.000 1.063 309 M CA 1.404 56.731 55.300 0.045 0.000 1.110 309 M CB -0.242 32.388 32.600 0.050 0.000 1.374 309 M HN 0.135 nan 8.290 nan 0.000 0.411 310 N N -0.205 118.461 118.700 -0.056 0.000 2.244 310 N HA -0.107 4.688 4.740 0.092 0.000 0.183 310 N C 1.501 176.911 175.510 -0.167 0.000 1.016 310 N CA 1.960 54.944 53.050 -0.109 0.000 0.866 310 N CB -0.507 37.892 38.487 -0.147 0.000 0.980 310 N HN 0.435 nan 8.380 nan 0.000 0.430 311 T N -0.055 114.346 114.554 -0.256 0.000 2.857 311 T HA -0.021 4.384 4.350 0.092 0.000 0.266 311 T C 1.946 176.668 174.700 0.037 0.000 1.048 311 T CA 1.203 63.155 62.100 -0.246 0.000 1.139 311 T CB -0.472 68.140 68.868 -0.428 0.000 0.874 311 T HN 0.345 nan 8.240 nan 0.000 0.455 312 G N 1.417 110.302 108.800 0.142 0.000 2.418 312 G HA2 -0.126 3.889 3.960 0.092 0.000 0.217 312 G HA3 -0.126 3.889 3.960 0.092 0.000 0.217 312 G C 1.517 176.496 174.900 0.132 0.000 1.158 312 G CA 0.429 45.662 45.100 0.221 0.000 0.771 312 G HN 0.475 nan 8.290 nan 0.000 0.545 313 I N 1.244 121.862 120.570 0.081 0.000 2.226 313 I HA -0.086 4.139 4.170 0.092 0.000 0.245 313 I C 3.032 179.217 176.117 0.112 0.000 1.100 313 I CA 1.027 62.375 61.300 0.079 0.000 1.374 313 I CB -0.326 37.674 38.000 0.001 0.000 1.057 313 I HN 0.252 nan 8.210 nan 0.000 0.413 314 G N -0.464 108.378 108.800 0.070 0.000 2.422 314 G HA2 -0.185 3.830 3.960 0.092 0.000 0.218 314 G HA3 -0.185 3.830 3.960 0.092 0.000 0.218 314 G C 1.756 176.772 174.900 0.195 0.000 1.140 314 G CA 0.787 45.947 45.100 0.101 0.000 0.775 314 G HN 0.333 nan 8.290 nan 0.000 0.545 315 S N 0.736 116.575 115.700 0.232 0.000 2.406 315 S HA 0.119 4.644 4.470 0.092 0.000 0.228 315 S C 2.744 177.504 174.600 0.268 0.000 1.020 315 S CA 0.893 59.303 58.200 0.350 0.000 0.965 315 S CB -0.174 63.305 63.200 0.465 0.000 0.798 315 S HN 0.545 nan 8.310 nan 0.000 0.488 316 A N 1.518 124.433 122.820 0.159 0.000 1.933 316 A HA 0.140 4.515 4.320 0.092 0.000 0.218 316 A C 2.291 179.927 177.584 0.087 0.000 1.175 316 A CA 1.590 53.656 52.037 0.048 0.000 0.628 316 A CB -0.894 18.115 19.000 0.015 0.000 0.814 316 A HN 0.500 nan 8.150 nan 0.000 0.444 317 A N -0.331 122.631 122.820 0.236 0.000 1.969 317 A HA -0.113 4.262 4.320 0.092 0.000 0.218 317 A C 1.786 179.576 177.584 0.344 0.000 1.169 317 A CA 1.960 54.210 52.037 0.355 0.000 0.635 317 A CB -0.531 18.686 19.000 0.363 0.000 0.810 317 A HN 0.571 nan 8.150 nan 0.000 0.445 318 D N -0.758 119.819 120.400 0.295 0.000 2.123 318 D HA -0.109 4.586 4.640 0.092 0.000 0.200 318 D C 1.766 178.055 176.300 -0.020 0.000 0.976 318 D CA 1.097 55.295 54.000 0.330 0.000 0.831 318 D CB -0.114 40.873 40.800 0.312 0.000 0.974 318 D HN 0.228 nan 8.370 nan 0.000 0.469 319 L N 0.147 121.255 121.223 -0.192 0.000 2.093 319 L HA 0.163 4.558 4.340 0.092 0.000 0.208 319 L C 2.180 178.765 176.870 -0.475 0.000 1.085 319 L CA 2.067 56.537 54.840 -0.617 0.000 0.755 319 L CB -1.041 40.419 42.059 -0.998 0.000 0.904 319 L HN 0.153 nan 8.230 nan 0.000 0.435 320 G N 0.273 108.940 108.800 -0.223 0.000 2.529 320 G HA2 -0.344 3.671 3.960 0.092 0.000 0.219 320 G HA3 -0.344 3.671 3.960 0.092 0.000 0.219 320 G C 1.404 176.284 174.900 -0.034 0.000 1.177 320 G CA 1.146 46.173 45.100 -0.123 0.000 0.773 320 G HN 0.723 nan 8.290 nan 0.000 0.573 321 W N 1.125 122.387 121.300 -0.064 0.000 2.436 321 W HA 0.170 4.885 4.660 0.091 0.000 0.284 321 W C 1.850 178.295 176.519 -0.122 0.000 1.225 321 W CA 0.945 58.274 57.345 -0.026 0.000 1.271 321 W CB -0.515 28.975 29.460 0.050 0.000 1.114 321 W HN 0.212 nan 8.180 nan 0.000 0.559 322 K N 0.938 120.830 120.400 -0.847 0.000 2.155 322 K HA -0.054 4.321 4.320 0.092 0.000 0.203 322 K C 2.328 178.536 176.600 -0.653 0.000 1.052 322 K CA 1.353 57.059 56.287 -0.969 0.000 0.948 322 K CB -0.280 31.599 32.500 -1.034 0.000 0.728 322 K HN 0.160 nan 8.250 nan 0.000 0.448 323 L N 0.365 121.230 121.223 -0.597 0.000 2.027 323 L HA -0.153 4.242 4.340 0.092 0.000 0.206 323 L C 2.571 179.225 176.870 -0.360 0.000 1.074 323 L CA 1.099 55.585 54.840 -0.589 0.000 0.745 323 L CB -0.539 41.166 42.059 -0.591 0.000 0.898 323 L HN 0.197 nan 8.230 nan 0.000 0.433 324 A N 0.059 122.747 122.820 -0.219 0.000 1.908 324 A HA -0.234 4.141 4.320 0.092 0.000 0.218 324 A C 2.485 179.967 177.584 -0.170 0.000 1.181 324 A CA 1.914 53.899 52.037 -0.086 0.000 0.627 324 A CB -0.781 18.257 19.000 0.063 0.000 0.818 324 A HN 0.433 nan 8.150 nan 0.000 0.445 325 A N -1.215 121.383 122.820 -0.371 0.000 1.933 325 A HA -0.067 4.308 4.320 0.092 0.000 0.218 325 A C 2.273 179.364 177.584 -0.822 0.000 1.175 325 A CA 2.265 53.675 52.037 -1.044 0.000 0.628 325 A CB -1.065 16.993 19.000 -1.570 0.000 0.814 325 A HN 0.454 nan 8.150 nan 0.000 0.444 326 T N 0.121 114.381 114.554 -0.491 0.000 2.896 326 T HA 0.033 4.438 4.350 0.092 0.000 0.263 326 T C 1.779 176.404 174.700 -0.126 0.000 1.050 326 T CA 1.194 63.123 62.100 -0.285 0.000 1.140 326 T CB -0.282 68.445 68.868 -0.234 0.000 0.877 326 T HN 0.343 nan 8.240 nan 0.000 0.457 327 L N 0.464 121.634 121.223 -0.087 0.000 2.093 327 L HA -0.022 4.373 4.340 0.092 0.000 0.208 327 L C 2.920 179.792 176.870 0.004 0.000 1.085 327 L CA 1.026 55.877 54.840 0.018 0.000 0.755 327 L CB -0.359 41.726 42.059 0.042 0.000 0.904 327 L HN 0.051 nan 8.230 nan 0.000 0.435 328 R N -0.111 120.371 120.500 -0.030 0.000 2.115 328 R HA -0.007 4.388 4.340 0.092 0.000 0.226 328 R C 1.582 177.922 176.300 0.067 0.000 1.100 328 R CA 1.100 57.239 56.100 0.065 0.000 0.980 328 R CB -0.348 30.067 30.300 0.191 0.000 0.875 328 R HN 0.520 nan 8.270 nan 0.000 0.445 329 G N 0.065 108.846 108.800 -0.030 0.000 2.179 329 G HA2 -0.168 3.847 3.960 0.092 0.000 0.220 329 G HA3 -0.168 3.847 3.960 0.092 0.000 0.220 329 G C 0.570 175.530 174.900 0.099 0.000 0.990 329 G CA 0.216 45.327 45.100 0.018 0.000 0.646 329 G HN 0.518 nan 8.290 nan 0.000 0.517 330 W N 0.509 121.859 121.300 0.083 0.000 3.197 330 W HA 0.704 5.416 4.660 0.087 0.000 0.274 330 W C 0.741 177.322 176.519 0.103 0.000 1.297 330 W CA 0.214 57.624 57.345 0.108 0.000 1.662 330 W CB -0.523 29.036 29.460 0.165 0.000 1.106 330 W HN 0.749 nan 8.180 nan 0.000 0.663 331 A N 2.114 124.810 122.820 -0.207 0.000 2.371 331 A HA 0.542 4.917 4.320 0.092 0.000 0.257 331 A C 0.692 178.260 177.584 -0.027 0.000 1.089 331 A CA 0.285 52.200 52.037 -0.203 0.000 0.794 331 A CB 0.089 18.812 19.000 -0.461 0.000 1.029 331 A HN 0.239 nan 8.150 nan 0.000 0.488 332 G N 0.496 109.307 108.800 0.020 0.000 2.634 332 G HA2 0.438 4.453 3.960 0.092 0.000 0.255 332 G HA3 0.438 4.453 3.960 0.092 0.000 0.255 332 G C -1.071 173.823 174.900 -0.010 0.000 1.205 332 G CA -0.651 44.463 45.100 0.024 0.000 0.884 332 G HN 0.541 nan 8.290 nan 0.000 0.549 333 P HA -0.023 nan 4.420 nan 0.000 0.226 333 P C 1.300 178.600 177.300 0.001 0.000 1.153 333 P CA 1.313 64.415 63.100 0.003 0.000 0.777 333 P CB 0.253 31.961 31.700 0.012 0.000 0.794 334 G N -0.481 108.318 108.800 -0.002 0.000 3.284 334 G HA2 0.042 4.057 3.960 0.092 0.000 0.236 334 G HA3 0.042 4.057 3.960 0.092 0.000 0.236 334 G C 1.161 176.047 174.900 -0.022 0.000 1.158 334 G CA -0.158 44.941 45.100 -0.003 0.000 0.774 334 G HN 0.150 nan 8.290 nan 0.000 0.545 335 L N 0.293 121.481 121.223 -0.059 0.000 2.056 335 L HA 0.189 4.584 4.340 0.092 0.000 0.207 335 L C 2.572 179.345 176.870 -0.163 0.000 1.078 335 L CA 1.429 56.193 54.840 -0.127 0.000 0.749 335 L CB -0.266 41.667 42.059 -0.211 0.000 0.901 335 L HN 0.183 nan 8.230 nan 0.000 0.433 336 L N -0.666 120.480 121.223 -0.129 0.000 2.191 336 L HA -0.181 4.214 4.340 0.092 0.000 0.212 336 L C 2.556 179.494 176.870 0.114 0.000 1.103 336 L CA 0.992 55.795 54.840 -0.062 0.000 0.769 336 L CB -0.810 41.269 42.059 0.034 0.000 0.908 336 L HN 0.379 nan 8.230 nan 0.000 0.438 337 A N -0.078 122.781 122.820 0.066 0.000 2.015 337 A HA -0.177 4.198 4.320 0.092 0.000 0.219 337 A C 2.350 179.946 177.584 0.021 0.000 1.163 337 A CA 1.803 53.876 52.037 0.060 0.000 0.646 337 A CB -0.781 18.228 19.000 0.016 0.000 0.806 337 A HN 0.509 nan 8.150 nan 0.000 0.448 338 T N -3.647 110.898 114.554 -0.015 0.000 3.113 338 T HA -0.159 4.246 4.350 0.092 0.000 0.263 338 T C 1.587 176.251 174.700 -0.059 0.000 1.143 338 T CA 1.255 63.322 62.100 -0.055 0.000 1.090 338 T CB -0.531 68.299 68.868 -0.064 0.000 0.922 338 T HN 0.513 nan 8.240 nan 0.000 0.521 339 Y N 2.097 122.326 120.300 -0.119 0.000 2.163 339 Y HA 0.014 4.620 4.550 0.093 0.000 0.288 339 Y C 2.335 178.226 175.900 -0.015 0.000 1.136 339 Y CA 1.617 59.669 58.100 -0.080 0.000 1.147 339 Y CB -0.575 37.874 38.460 -0.018 0.000 0.987 339 Y HN 0.369 nan 8.280 nan 0.000 0.509 340 E N 0.065 120.103 120.200 -0.272 0.000 2.047 340 E HA -0.252 4.153 4.350 0.092 0.000 0.191 340 E C 2.270 178.610 176.600 -0.433 0.000 0.987 340 E CA 1.207 57.276 56.400 -0.552 0.000 0.799 340 E CB -0.315 29.161 29.700 -0.373 0.000 0.752 340 E HN 0.689 nan 8.360 nan 0.000 0.449 341 E N 0.110 120.166 120.200 -0.241 0.000 2.097 341 E HA -0.257 4.148 4.350 0.092 0.000 0.196 341 E C 1.773 178.267 176.600 -0.175 0.000 1.000 341 E CA 1.757 58.050 56.400 -0.177 0.000 0.804 341 E CB 0.090 29.728 29.700 -0.104 0.000 0.740 341 E HN 0.375 nan 8.360 nan 0.000 0.454 342 E N -0.933 119.130 120.200 -0.228 0.000 2.166 342 E HA -0.008 4.397 4.350 0.092 0.000 0.192 342 E C 2.175 178.691 176.600 -0.141 0.000 0.967 342 E CA 0.053 56.283 56.400 -0.284 0.000 0.840 342 E CB 0.240 29.481 29.700 -0.766 0.000 0.795 342 E HN 0.048 nan 8.360 nan 0.000 0.470 343 R N 0.746 121.151 120.500 -0.158 0.000 2.140 343 R HA 0.079 4.474 4.340 0.092 0.000 0.213 343 R C 2.134 178.456 176.300 0.037 0.000 1.059 343 R CA 0.507 56.621 56.100 0.023 0.000 1.000 343 R CB -0.345 30.006 30.300 0.086 0.000 0.910 343 R HN 0.072 nan 8.270 nan 0.000 0.455 344 R N 1.123 121.450 120.500 -0.288 0.000 2.073 344 R HA -0.063 4.332 4.340 0.092 0.000 0.234 344 R C -0.793 175.464 176.300 -0.072 0.000 1.134 344 R CA 1.381 57.274 56.100 -0.345 0.000 0.952 344 R CB -0.970 28.855 30.300 -0.792 0.000 0.850 344 R HN 0.079 nan 8.270 nan 0.000 0.433 345 P HA -0.136 nan 4.420 nan 0.000 0.218 345 P C 1.113 178.450 177.300 0.061 0.000 1.148 345 P CA 1.043 64.147 63.100 0.006 0.000 0.822 345 P CB 0.079 31.790 31.700 0.018 0.000 0.784 346 V N -0.365 119.606 119.914 0.095 0.000 2.515 346 V HA -0.223 3.952 4.120 0.092 0.000 0.250 346 V C 2.325 178.486 176.094 0.113 0.000 1.058 346 V CA 2.206 64.579 62.300 0.122 0.000 1.064 346 V CB -1.521 30.392 31.823 0.149 0.000 0.675 346 V HN 0.122 nan 8.190 nan 0.000 0.461 347 A N 0.014 122.890 122.820 0.093 0.000 1.861 347 A HA -0.045 4.330 4.320 0.092 0.000 0.212 347 A C 2.097 179.751 177.584 0.116 0.000 1.199 347 A CA 1.064 53.157 52.037 0.093 0.000 0.613 347 A CB -0.436 18.664 19.000 0.166 0.000 0.846 347 A HN 0.322 nan 8.150 nan 0.000 0.446 348 I N 1.241 121.870 120.570 0.099 0.000 2.236 348 I HA -0.269 3.956 4.170 0.092 0.000 0.249 348 I C 2.662 178.813 176.117 0.057 0.000 1.102 348 I CA 2.452 63.795 61.300 0.071 0.000 1.365 348 I CB -1.776 36.244 38.000 0.034 0.000 1.051 348 I HN 0.621 nan 8.210 nan 0.000 0.420 349 T N -2.332 112.252 114.554 0.049 0.000 2.898 349 T HA 0.102 4.507 4.350 0.092 0.000 0.241 349 T C 2.164 176.858 174.700 -0.010 0.000 1.024 349 T CA 1.062 63.176 62.100 0.024 0.000 1.174 349 T CB -0.909 67.972 68.868 0.023 0.000 0.873 349 T HN 0.297 nan 8.240 nan 0.000 0.422 350 S N 1.496 117.205 115.700 0.015 0.000 2.461 350 S HA 0.098 4.623 4.470 0.092 0.000 0.246 350 S C 2.367 176.765 174.600 -0.337 0.000 1.007 350 S CA 2.114 60.262 58.200 -0.088 0.000 0.976 350 S CB -1.335 62.113 63.200 0.413 0.000 0.763 350 S HN 1.000 nan 8.310 nan 0.000 0.508 351 L N -0.057 121.132 121.223 -0.055 0.000 2.291 351 L HA 0.120 4.515 4.340 0.092 0.000 0.214 351 L C 2.375 179.218 176.870 -0.044 0.000 1.120 351 L CA 1.979 56.811 54.840 -0.013 0.000 0.799 351 L CB -1.070 41.071 42.059 0.136 0.000 0.925 351 L HN 0.480 nan 8.230 nan 0.000 0.446 352 E N -0.456 119.711 120.200 -0.055 0.000 2.152 352 E HA -0.188 4.217 4.350 0.092 0.000 0.192 352 E C 2.107 178.617 176.600 -0.149 0.000 0.983 352 E CA 1.230 57.611 56.400 -0.032 0.000 0.818 352 E CB 0.091 29.792 29.700 0.002 0.000 0.758 352 E HN 0.853 nan 8.360 nan 0.000 0.467 353 E N 1.357 121.383 120.200 -0.290 0.000 2.072 353 E HA -0.078 4.327 4.350 0.092 0.000 0.191 353 E C 1.869 178.262 176.600 -0.345 0.000 0.985 353 E CA 1.350 57.548 56.400 -0.338 0.000 0.801 353 E CB -0.235 29.185 29.700 -0.467 0.000 0.750 353 E HN 0.156 nan 8.360 nan 0.000 0.452 354 A N 0.540 123.093 122.820 -0.445 0.000 1.898 354 A HA -0.209 4.166 4.320 0.092 0.000 0.216 354 A C 2.177 179.681 177.584 -0.133 0.000 1.181 354 A CA 1.794 53.664 52.037 -0.280 0.000 0.620 354 A CB -0.970 17.890 19.000 -0.234 0.000 0.819 354 A HN 0.409 nan 8.150 nan 0.000 0.442 355 N N -0.030 118.612 118.700 -0.097 0.000 2.149 355 N HA -0.135 4.660 4.740 0.092 0.000 0.188 355 N C 1.406 176.848 175.510 -0.113 0.000 1.019 355 N CA 1.725 54.731 53.050 -0.073 0.000 0.857 355 N CB -0.316 38.037 38.487 -0.223 0.000 0.997 355 N HN 0.154 nan 8.380 nan 0.000 0.426 356 V N 0.978 120.820 119.914 -0.120 0.000 2.343 356 V HA -0.214 3.961 4.120 0.092 0.000 0.247 356 V C 1.923 177.969 176.094 -0.081 0.000 1.051 356 V CA 1.612 63.853 62.300 -0.099 0.000 1.036 356 V CB -0.648 31.115 31.823 -0.101 0.000 0.654 356 V HN 0.465 nan 8.190 nan 0.000 0.451 357 N N -0.062 118.583 118.700 -0.093 0.000 2.188 357 N HA -0.120 4.675 4.740 0.092 0.000 0.184 357 N C 1.698 177.193 175.510 -0.025 0.000 1.018 357 N CA 1.180 54.183 53.050 -0.078 0.000 0.858 357 N CB -0.327 38.088 38.487 -0.120 0.000 0.989 357 N HN 0.377 nan 8.380 nan 0.000 0.426 358 L N 1.802 123.024 121.223 -0.001 0.000 2.056 358 L HA -0.026 4.369 4.340 0.092 0.000 0.207 358 L C 2.237 179.137 176.870 0.050 0.000 1.078 358 L CA 1.403 56.281 54.840 0.064 0.000 0.749 358 L CB -0.212 41.907 42.059 0.100 0.000 0.901 358 L HN -0.048 nan 8.230 nan 0.000 0.433 359 R N -0.291 120.207 120.500 -0.004 0.000 2.083 359 R HA -0.184 4.211 4.340 0.092 0.000 0.237 359 R C 2.358 178.659 176.300 0.001 0.000 1.137 359 R CA 1.684 57.776 56.100 -0.014 0.000 0.951 359 R CB -0.913 29.356 30.300 -0.050 0.000 0.851 359 R HN 0.421 nan 8.270 nan 0.000 0.434 360 R N 0.844 121.337 120.500 -0.011 0.000 2.117 360 R HA -0.138 4.257 4.340 0.092 0.000 0.243 360 R C 2.034 178.344 176.300 0.016 0.000 1.143 360 R CA 2.205 58.296 56.100 -0.015 0.000 0.968 360 R CB -0.191 30.087 30.300 -0.038 0.000 0.863 360 R HN 0.419 nan 8.270 nan 0.000 0.444 361 T N -2.350 112.237 114.554 0.056 0.000 3.009 361 T HA 0.028 4.433 4.350 0.092 0.000 0.258 361 T C 1.884 176.662 174.700 0.130 0.000 1.063 361 T CA 0.347 62.517 62.100 0.117 0.000 1.139 361 T CB 0.111 69.084 68.868 0.175 0.000 0.890 361 T HN 0.035 nan 8.240 nan 0.000 0.471 362 M N 1.812 121.477 119.600 0.107 0.000 2.394 362 M HA 0.090 4.625 4.480 0.092 0.000 0.264 362 M C 0.916 177.255 176.300 0.065 0.000 1.073 362 M CA 0.925 56.285 55.300 0.100 0.000 1.111 362 M CB -0.700 31.947 32.600 0.079 0.000 1.401 362 M HN 0.302 nan 8.290 nan 0.000 0.448 363 D N -0.445 119.981 120.400 0.043 0.000 2.366 363 D HA 0.082 4.777 4.640 0.092 0.000 0.205 363 D C 0.581 176.893 176.300 0.020 0.000 1.022 363 D CA 0.155 54.168 54.000 0.022 0.000 0.868 363 D CB 0.285 41.086 40.800 0.002 0.000 0.953 363 D HN 0.257 nan 8.370 nan 0.000 0.514 364 R N 1.371 121.889 120.500 0.029 0.000 2.484 364 R HA 0.339 4.734 4.340 0.092 0.000 0.293 364 R C 0.613 176.933 176.300 0.033 0.000 1.023 364 R CA 0.346 56.458 56.100 0.018 0.000 1.037 364 R CB 0.326 30.640 30.300 0.025 0.000 0.951 364 R HN 0.128 nan 8.270 nan 0.000 0.418 365 E N 1.808 122.016 120.200 0.013 0.000 2.222 365 E HA 0.680 5.085 4.350 0.092 0.000 0.267 365 E C -0.693 175.914 176.600 0.012 0.000 0.963 365 E CA -0.402 56.009 56.400 0.019 0.000 0.837 365 E CB 1.361 31.066 29.700 0.009 0.000 1.183 365 E HN 0.530 nan 8.360 nan 0.000 0.403 366 L N 1.784 123.018 121.223 0.019 0.000 2.313 366 L HA 0.860 5.255 4.340 0.092 0.000 0.283 366 L C -1.549 175.318 176.870 -0.004 0.000 1.013 366 L CA -1.572 53.272 54.840 0.005 0.000 0.816 366 L CB 0.770 42.841 42.059 0.020 0.000 1.236 366 L HN 0.792 nan 8.230 nan 0.000 0.419 367 P HA 0.622 nan 4.420 nan 0.000 0.277 367 P C -2.774 174.511 177.300 -0.025 0.000 1.271 367 P CA -1.350 61.735 63.100 -0.024 0.000 0.795 367 P CB 0.479 32.158 31.700 -0.035 0.000 1.101 368 P HA 0.211 nan 4.420 nan 0.000 0.285 368 P C 0.457 177.748 177.300 -0.016 0.000 1.259 368 P CA 0.099 63.198 63.100 -0.002 0.000 0.794 368 P CB 0.825 32.528 31.700 0.005 0.000 0.940 369 G N 1.902 110.699 108.800 -0.004 0.000 2.132 369 G HA2 -0.265 3.750 3.960 0.092 0.000 0.234 369 G HA3 -0.265 3.750 3.960 0.092 0.000 0.234 369 G C 0.381 175.239 174.900 -0.069 0.000 0.989 369 G CA 0.139 45.229 45.100 -0.016 0.000 0.676 369 G HN 0.552 nan 8.290 nan 0.000 0.522 370 L N 0.199 121.338 121.223 -0.140 0.000 2.395 370 L HA 0.260 4.655 4.340 0.092 0.000 0.218 370 L C 2.050 178.729 176.870 -0.318 0.000 1.130 370 L CA 1.867 56.556 54.840 -0.253 0.000 0.826 370 L CB -0.258 41.599 42.059 -0.337 0.000 0.941 370 L HN 0.446 nan 8.230 nan 0.000 0.451 371 H N -1.547 117.521 119.070 -0.002 0.000 2.551 371 H HA 0.221 4.832 4.556 0.092 0.000 0.271 371 H C -0.045 175.292 175.328 0.016 0.000 0.984 371 H CA -0.238 55.836 56.048 0.042 0.000 1.164 371 H CB -0.083 29.711 29.762 0.053 0.000 1.437 371 H HN 0.313 nan 8.280 nan 0.000 0.550 372 D N 0.906 121.321 120.400 0.026 0.000 2.419 372 D HA -0.032 4.663 4.640 0.092 0.000 0.236 372 D C 0.624 176.863 176.300 -0.101 0.000 1.165 372 D CA 0.503 54.497 54.000 -0.009 0.000 0.882 372 D CB 0.854 41.637 40.800 -0.029 0.000 1.201 372 D HN 0.168 nan 8.370 nan 0.000 0.443 373 D N -0.623 119.773 120.400 -0.006 0.000 2.355 373 D HA 0.159 4.854 4.640 0.092 0.000 0.206 373 D C 1.026 177.316 176.300 -0.016 0.000 1.010 373 D CA 0.060 54.072 54.000 0.021 0.000 0.875 373 D CB 0.084 40.954 40.800 0.117 0.000 0.966 373 D HN 0.385 nan 8.370 nan 0.000 0.512 374 G N 1.183 109.971 108.800 -0.020 0.000 2.636 374 G HA2 0.160 4.175 3.960 0.092 0.000 0.246 374 G HA3 0.160 4.175 3.960 0.092 0.000 0.246 374 G C -1.618 173.261 174.900 -0.034 0.000 1.216 374 G CA -0.886 44.204 45.100 -0.016 0.000 0.854 374 G HN -0.057 nan 8.290 nan 0.000 0.572 375 P HA -0.079 nan 4.420 nan 0.000 0.226 375 P C 1.730 179.011 177.300 -0.032 0.000 1.146 375 P CA 0.651 63.738 63.100 -0.022 0.000 0.773 375 P CB 0.173 31.867 31.700 -0.010 0.000 0.772 376 R N -0.256 120.223 120.500 -0.035 0.000 2.057 376 R HA -0.038 4.357 4.340 0.092 0.000 0.229 376 R C 2.320 178.586 176.300 -0.055 0.000 1.136 376 R CA 1.767 57.846 56.100 -0.037 0.000 0.952 376 R CB -1.140 29.143 30.300 -0.028 0.000 0.848 376 R HN 0.140 nan 8.270 nan 0.000 0.430 377 G N 0.415 109.168 108.800 -0.078 0.000 2.422 377 G HA2 -0.293 3.722 3.960 0.092 0.000 0.218 377 G HA3 -0.293 3.722 3.960 0.092 0.000 0.218 377 G C 1.258 176.080 174.900 -0.130 0.000 1.146 377 G CA 0.704 45.735 45.100 -0.115 0.000 0.769 377 G HN 0.495 nan 8.290 nan 0.000 0.547 378 E N 0.296 120.422 120.200 -0.123 0.000 2.204 378 E HA -0.103 4.302 4.350 0.092 0.000 0.195 378 E C 2.910 179.480 176.600 -0.051 0.000 0.990 378 E CA 1.154 57.499 56.400 -0.091 0.000 0.821 378 E CB -0.046 29.618 29.700 -0.061 0.000 0.750 378 E HN 0.433 nan 8.360 nan 0.000 0.477 379 R N 0.766 121.237 120.500 -0.048 0.000 2.080 379 R HA 0.069 4.464 4.340 0.092 0.000 0.222 379 R C 2.051 178.326 176.300 -0.041 0.000 1.107 379 R CA 1.073 57.152 56.100 -0.035 0.000 0.980 379 R CB -1.156 29.126 30.300 -0.030 0.000 0.879 379 R HN 0.366 nan 8.270 nan 0.000 0.439 380 I N 0.144 120.682 120.570 -0.052 0.000 2.546 380 I HA -0.160 4.065 4.170 0.092 0.000 0.255 380 I C 2.310 178.392 176.117 -0.059 0.000 1.163 380 I CA 1.053 62.320 61.300 -0.055 0.000 1.457 380 I CB 0.044 38.008 38.000 -0.061 0.000 1.092 380 I HN 0.296 nan 8.210 nan 0.000 0.434 381 R N 0.569 121.034 120.500 -0.059 0.000 2.090 381 R HA -0.053 4.342 4.340 0.092 0.000 0.228 381 R C 2.309 178.596 176.300 -0.021 0.000 1.110 381 R CA 1.304 57.380 56.100 -0.040 0.000 0.973 381 R CB -0.370 29.910 30.300 -0.033 0.000 0.869 381 R HN 0.394 nan 8.270 nan 0.000 0.440 382 A N 1.017 123.825 122.820 -0.019 0.000 2.067 382 A HA -0.033 4.342 4.320 0.092 0.000 0.219 382 A C 2.233 179.793 177.584 -0.040 0.000 1.158 382 A CA 1.467 53.498 52.037 -0.011 0.000 0.661 382 A CB -0.328 18.669 19.000 -0.005 0.000 0.801 382 A HN 0.386 nan 8.150 nan 0.000 0.452 383 A N -0.522 122.268 122.820 -0.050 0.000 1.872 383 A HA 0.061 4.436 4.320 0.092 0.000 0.214 383 A C 2.132 179.660 177.584 -0.092 0.000 1.187 383 A CA 1.561 53.560 52.037 -0.064 0.000 0.614 383 A CB -0.824 18.142 19.000 -0.056 0.000 0.826 383 A HN 0.366 nan 8.150 nan 0.000 0.442 384 V N 0.129 119.988 119.914 -0.091 0.000 2.515 384 V HA -0.213 3.962 4.120 0.092 0.000 0.250 384 V C 2.988 178.964 176.094 -0.198 0.000 1.058 384 V CA 1.692 63.919 62.300 -0.122 0.000 1.064 384 V CB -1.238 30.534 31.823 -0.085 0.000 0.675 384 V HN 0.599 nan 8.190 nan 0.000 0.461 385 A N 0.422 123.143 122.820 -0.165 0.000 1.877 385 A HA -0.268 4.107 4.320 0.092 0.000 0.216 385 A C 2.226 179.568 177.584 -0.403 0.000 1.186 385 A CA 2.116 53.995 52.037 -0.263 0.000 0.620 385 A CB -0.503 18.477 19.000 -0.034 0.000 0.822 385 A HN 0.566 nan 8.150 nan 0.000 0.443 386 E N 0.245 120.308 120.200 -0.229 0.000 2.051 386 E HA -0.165 4.240 4.350 0.092 0.000 0.192 386 E C 2.169 178.622 176.600 -0.245 0.000 0.991 386 E CA 2.697 58.975 56.400 -0.202 0.000 0.799 386 E CB -0.480 29.150 29.700 -0.117 0.000 0.748 386 E HN 0.493 nan 8.360 nan 0.000 0.449 387 K N 0.944 121.209 120.400 -0.225 0.000 2.032 387 K HA -0.106 4.269 4.320 0.092 0.000 0.209 387 K C 2.397 178.816 176.600 -0.301 0.000 1.048 387 K CA 1.675 57.835 56.287 -0.213 0.000 0.927 387 K CB -1.394 31.004 32.500 -0.170 0.000 0.712 387 K HN 0.274 nan 8.250 nan 0.000 0.441 388 L N 0.291 121.250 121.223 -0.439 0.000 1.990 388 L HA -0.272 4.123 4.340 0.092 0.000 0.213 388 L C 3.017 179.511 176.870 -0.627 0.000 1.072 388 L CA 2.295 56.759 54.840 -0.628 0.000 0.755 388 L CB -0.298 41.179 42.059 -0.971 0.000 0.889 388 L HN 0.663 nan 8.230 nan 0.000 0.432 389 E N -0.135 119.640 120.200 -0.708 0.000 2.110 389 E HA -0.236 4.169 4.350 0.092 0.000 0.193 389 E C 2.341 178.805 176.600 -0.226 0.000 0.988 389 E CA 1.043 57.183 56.400 -0.433 0.000 0.804 389 E CB 0.106 29.615 29.700 -0.319 0.000 0.745 389 E HN 0.366 nan 8.360 nan 0.000 0.458 390 R N 0.087 120.459 120.500 -0.215 0.000 2.092 390 R HA -0.071 4.324 4.340 0.092 0.000 0.231 390 R C 2.516 178.740 176.300 -0.126 0.000 1.119 390 R CA 1.390 57.407 56.100 -0.138 0.000 0.970 390 R CB -0.207 30.018 30.300 -0.125 0.000 0.864 390 R HN 0.164 nan 8.270 nan 0.000 0.440 391 S N -0.138 115.464 115.700 -0.162 0.000 2.603 391 S HA 0.033 4.558 4.470 0.092 0.000 0.229 391 S C 1.190 175.721 174.600 -0.115 0.000 0.972 391 S CA 0.395 58.514 58.200 -0.134 0.000 0.935 391 S CB 0.059 63.166 63.200 -0.156 0.000 0.769 391 S HN 0.508 nan 8.310 nan 0.000 0.536 392 G N 0.698 109.431 108.800 -0.111 0.000 2.314 392 G HA2 -0.140 3.875 3.960 0.092 0.000 0.292 392 G HA3 -0.140 3.875 3.960 0.092 0.000 0.292 392 G C 0.733 175.600 174.900 -0.055 0.000 1.059 392 G CA 0.124 45.185 45.100 -0.064 0.000 0.982 392 G HN 1.133 nan 8.290 nan 0.000 0.505 393 A N 0.272 123.029 122.820 -0.104 0.000 2.066 393 A HA 0.117 4.492 4.320 0.092 0.000 0.218 393 A C 2.251 179.920 177.584 0.142 0.000 1.157 393 A CA 1.674 53.669 52.037 -0.071 0.000 0.670 393 A CB -0.218 18.565 19.000 -0.361 0.000 0.804 393 A HN 1.053 nan 8.150 nan 0.000 0.453 394 R N -0.738 119.860 120.500 0.164 0.000 2.328 394 R HA 0.135 4.530 4.340 0.092 0.000 0.200 394 R C 1.581 178.011 176.300 0.216 0.000 0.983 394 R CA 0.791 57.061 56.100 0.283 0.000 1.062 394 R CB -0.329 30.112 30.300 0.236 0.000 0.956 394 R HN 0.378 nan 8.270 nan 0.000 0.479 395 R N 1.272 121.841 120.500 0.115 0.000 2.210 395 R HA -0.007 4.388 4.340 0.092 0.000 0.203 395 R C 1.725 178.014 176.300 -0.018 0.000 1.010 395 R CA 0.809 56.938 56.100 0.048 0.000 1.008 395 R CB 0.156 30.459 30.300 0.003 0.000 0.923 395 R HN 0.387 nan 8.270 nan 0.000 0.469 396 E N -0.881 119.276 120.200 -0.072 0.000 2.482 396 E HA -0.106 4.299 4.350 0.092 0.000 0.196 396 E C -0.148 176.089 176.600 -0.605 0.000 1.047 396 E CA 0.590 56.789 56.400 -0.335 0.000 0.869 396 E CB 0.282 29.720 29.700 -0.435 0.000 0.836 396 E HN 0.317 nan 8.360 nan 0.000 0.520 397 F N -0.166 119.813 119.950 0.049 0.000 2.729 397 F HA 0.278 4.860 4.527 0.091 0.000 0.315 397 F C -0.434 175.422 175.800 0.093 0.000 1.102 397 F CA -0.459 57.580 58.000 0.064 0.000 1.204 397 F CB 1.155 40.207 39.000 0.086 0.000 1.052 397 F HN -0.130 nan 8.300 nan 0.000 0.551 398 D N 1.131 121.641 120.400 0.183 0.000 2.362 398 D HA 0.544 5.239 4.640 0.092 0.000 0.232 398 D C -0.930 175.438 176.300 0.113 0.000 1.329 398 D CA 0.101 54.204 54.000 0.171 0.000 0.944 398 D CB 0.687 41.596 40.800 0.183 0.000 1.471 398 D HN 0.076 nan 8.370 nan 0.000 0.533 399 A N 4.519 127.394 122.820 0.092 0.000 3.307 399 A HA 0.437 4.812 4.320 0.092 0.000 0.289 399 A C -1.957 175.622 177.584 -0.007 0.000 1.138 399 A CA -0.784 51.263 52.037 0.016 0.000 0.860 399 A CB 0.954 19.906 19.000 -0.081 0.000 1.318 399 A HN 0.359 nan 8.150 nan 0.000 0.551 400 P HA -0.190 nan 4.420 nan 0.000 0.216 400 P C 1.712 178.749 177.300 -0.437 0.000 1.150 400 P CA 2.135 65.256 63.100 0.035 0.000 0.843 400 P CB 0.067 31.935 31.700 0.280 0.000 0.787 401 G N 0.485 108.995 108.800 -0.484 0.000 2.442 401 G HA2 -0.227 3.788 3.960 0.092 0.000 0.219 401 G HA3 -0.227 3.788 3.960 0.092 0.000 0.219 401 G C 1.702 176.306 174.900 -0.493 0.000 1.141 401 G CA 0.561 45.196 45.100 -0.775 0.000 0.763 401 G HN 0.270 nan 8.290 nan 0.000 0.554 402 I N -0.104 120.262 120.570 -0.340 0.000 2.394 402 I HA -0.130 4.095 4.170 0.092 0.000 0.251 402 I C 2.465 178.356 176.117 -0.377 0.000 1.136 402 I CA 0.858 61.993 61.300 -0.276 0.000 1.425 402 I CB -0.253 37.583 38.000 -0.274 0.000 1.079 402 I HN 0.195 nan 8.210 nan 0.000 0.425 403 H N -0.470 118.329 119.070 -0.452 0.000 2.415 403 H HA 0.052 4.664 4.556 0.093 0.000 0.297 403 H C 1.509 176.350 175.328 -0.810 0.000 1.048 403 H CA 1.344 56.960 56.048 -0.720 0.000 1.365 403 H CB 0.239 29.338 29.762 -1.105 0.000 1.421 403 H HN 0.310 nan 8.280 nan 0.000 0.533 404 F N -1.105 118.639 119.950 -0.343 0.000 2.746 404 F HA 0.290 4.870 4.527 0.088 0.000 0.313 404 F C 2.401 177.974 175.800 -0.379 0.000 1.095 404 F CA 0.196 57.967 58.000 -0.381 0.000 1.224 404 F CB -0.087 38.632 39.000 -0.469 0.000 1.060 404 F HN 0.031 nan 8.300 nan 0.000 0.584 405 G N -0.638 107.928 108.800 -0.390 0.000 2.598 405 G HA2 -0.045 3.970 3.960 0.092 0.000 0.215 405 G HA3 -0.045 3.970 3.960 0.092 0.000 0.215 405 G C 0.674 175.562 174.900 -0.019 0.000 1.131 405 G CA 0.544 45.542 45.100 -0.171 0.000 0.785 405 G HN 0.554 nan 8.290 nan 0.000 0.539 406 H N 0.042 119.082 119.070 -0.050 0.000 3.107 406 H HA 0.506 5.117 4.556 0.092 0.000 0.301 406 H C -0.049 175.228 175.328 -0.085 0.000 0.981 406 H CA 0.553 56.576 56.048 -0.041 0.000 1.443 406 H CB -0.134 29.602 29.762 -0.043 0.000 1.479 406 H HN 0.099 nan 8.280 nan 0.000 0.564 407 T N 3.889 118.414 114.554 -0.048 0.000 2.792 407 T HA 0.361 4.766 4.350 0.092 0.000 0.280 407 T C -0.873 173.841 174.700 0.023 0.000 0.990 407 T CA -0.319 61.758 62.100 -0.038 0.000 0.960 407 T CB 0.128 69.014 68.868 0.031 0.000 0.939 407 T HN 0.580 nan 8.240 nan 0.000 0.439 408 Y N 2.094 122.490 120.300 0.161 0.000 2.319 408 Y HA 0.494 5.098 4.550 0.090 0.000 0.328 408 Y C 0.932 176.894 175.900 0.103 0.000 1.133 408 Y CA -1.154 57.015 58.100 0.115 0.000 1.265 408 Y CB 0.542 39.069 38.460 0.113 0.000 1.218 408 Y HN 0.401 nan 8.280 nan 0.000 0.508 409 R N 1.741 122.391 120.500 0.249 0.000 2.494 409 R HA 0.424 4.819 4.340 0.092 0.000 0.284 409 R C -0.812 175.567 176.300 0.132 0.000 1.525 409 R CA -0.323 55.874 56.100 0.162 0.000 1.460 409 R CB 0.504 30.872 30.300 0.114 0.000 1.134 409 R HN 0.778 nan 8.270 nan 0.000 0.592 410 S N -1.250 114.533 115.700 0.138 0.000 2.810 410 S HA 0.294 4.819 4.470 0.092 0.000 0.315 410 S C 0.940 175.595 174.600 0.092 0.000 1.138 410 S CA -0.242 58.011 58.200 0.089 0.000 0.889 410 S CB 1.423 64.657 63.200 0.055 0.000 1.236 410 S HN 0.268 nan 8.310 nan 0.000 0.548 411 S N 0.192 115.932 115.700 0.067 0.000 2.507 411 S HA -0.027 4.498 4.470 0.092 0.000 0.235 411 S C 1.421 176.079 174.600 0.097 0.000 0.988 411 S CA 0.835 59.077 58.200 0.069 0.000 0.944 411 S CB -1.104 62.122 63.200 0.044 0.000 0.762 411 S HN 0.917 nan 8.310 nan 0.000 0.526 412 I N -1.640 119.006 120.570 0.127 0.000 3.974 412 I HA 0.497 4.722 4.170 0.092 0.000 0.334 412 I C -0.587 175.670 176.117 0.233 0.000 1.437 412 I CA -0.560 60.849 61.300 0.181 0.000 1.113 412 I CB 0.509 38.640 38.000 0.219 0.000 1.063 412 I HN -0.017 nan 8.210 nan 0.000 0.400 413 V N 1.263 121.304 119.914 0.210 0.000 2.555 413 V HA 0.281 4.456 4.120 0.092 0.000 0.302 413 V C -0.205 176.016 176.094 0.212 0.000 1.038 413 V CA -0.533 61.911 62.300 0.240 0.000 0.887 413 V CB 1.831 33.803 31.823 0.248 0.000 0.991 413 V HN 0.334 nan 8.190 nan 0.000 0.434 414 C N 4.885 124.337 119.300 0.252 0.000 2.116 414 C HA 0.536 5.051 4.460 0.092 0.000 0.367 414 C C 1.358 176.468 174.990 0.200 0.000 1.039 414 C CA -0.895 58.275 59.018 0.254 0.000 1.465 414 C CB -1.122 26.863 27.740 0.409 0.000 1.783 414 C HN 1.061 nan 8.230 nan 0.000 0.470 415 G N 2.782 111.670 108.800 0.148 0.000 2.690 415 G HA2 0.374 4.389 3.960 0.092 0.000 0.239 415 G HA3 0.374 4.389 3.960 0.092 0.000 0.239 415 G C -0.082 174.870 174.900 0.086 0.000 1.233 415 G CA -0.083 45.079 45.100 0.105 0.000 0.847 415 G HN 0.837 nan 8.290 nan 0.000 0.588 427 R N 4.650 124.360 120.500 -1.317 0.000 2.621 427 R HA 0.443 4.838 4.340 0.092 0.000 0.284 427 R C -2.546 172.740 176.300 -1.690 0.000 0.998 427 R CA -1.935 53.340 56.100 -1.375 0.000 0.895 427 R CB 2.193 32.107 30.300 -0.643 0.000 1.195 427 R HN 0.148 nan 8.270 nan 0.000 0.450 428 P HA -0.059 nan 4.420 nan 0.000 0.263 428 P C -0.787 176.191 177.300 -0.537 0.000 1.175 428 P CA 0.522 63.117 63.100 -0.842 0.000 0.761 428 P CB 0.649 32.036 31.700 -0.522 0.000 0.794 429 S N 1.811 117.296 115.700 -0.359 0.000 2.536 429 S HA 0.639 5.164 4.470 0.092 0.000 0.271 429 S C -0.158 174.262 174.600 -0.300 0.000 1.134 429 S CA -0.332 57.685 58.200 -0.304 0.000 0.897 429 S CB 1.166 64.229 63.200 -0.229 0.000 1.094 429 S HN 0.305 nan 8.310 nan 0.000 0.473 430 A N 3.581 126.195 122.820 -0.344 0.000 2.507 430 A HA 0.322 4.697 4.320 0.092 0.000 0.270 430 A C 0.719 178.191 177.584 -0.187 0.000 1.318 430 A CA -0.484 51.341 52.037 -0.353 0.000 0.924 430 A CB -0.420 18.269 19.000 -0.517 0.000 1.061 430 A HN 0.814 nan 8.150 nan 0.000 0.516 431 R N -0.041 120.371 120.500 -0.147 0.000 2.623 431 R HA 0.266 4.661 4.340 0.092 0.000 0.271 431 R C -2.771 173.501 176.300 -0.047 0.000 1.043 431 R CA -1.111 54.934 56.100 -0.091 0.000 1.083 431 R CB -0.577 29.683 30.300 -0.067 0.000 0.974 431 R HN -0.051 nan 8.270 nan 0.000 0.436 432 P HA -0.091 nan 4.420 nan 0.000 0.261 432 P C 0.599 177.957 177.300 0.096 0.000 1.165 432 P CA 1.891 65.025 63.100 0.058 0.000 0.759 432 P CB 0.615 32.363 31.700 0.079 0.000 0.772 433 G N 1.572 110.466 108.800 0.157 0.000 2.268 433 G HA2 -0.198 3.817 3.960 0.092 0.000 0.240 433 G HA3 -0.198 3.817 3.960 0.092 0.000 0.240 433 G C 0.456 175.444 174.900 0.147 0.000 1.010 433 G CA 0.069 45.301 45.100 0.221 0.000 0.618 433 G HN 0.857 nan 8.290 nan 0.000 0.516 434 A N 0.262 123.089 122.820 0.011 0.000 2.271 434 A HA 0.760 5.135 4.320 0.092 0.000 0.288 434 A C 0.772 178.111 177.584 -0.409 0.000 1.094 434 A CA 0.562 52.519 52.037 -0.133 0.000 0.828 434 A CB 0.365 19.314 19.000 -0.085 0.000 1.091 434 A HN 1.086 nan 8.150 nan 0.000 0.493 435 R N 1.183 121.303 120.500 -0.635 0.000 2.421 435 R HA 0.368 4.763 4.340 0.092 0.000 0.305 435 R C 0.179 176.270 176.300 -0.348 0.000 1.039 435 R CA 0.243 55.912 56.100 -0.718 0.000 1.003 435 R CB 0.094 30.132 30.300 -0.437 0.000 0.959 435 R HN 0.822 nan 8.270 nan 0.000 0.427 436 A N 7.473 130.097 122.820 -0.326 0.000 2.548 436 A HA 0.182 4.557 4.320 0.092 0.000 0.247 436 A C -1.928 175.608 177.584 -0.079 0.000 1.067 436 A CA -1.070 50.830 52.037 -0.229 0.000 0.757 436 A CB -0.227 18.612 19.000 -0.269 0.000 0.996 436 A HN 0.714 nan 8.150 nan 0.000 0.504 437 P HA 0.047 nan 4.420 nan 0.000 0.269 437 P C -0.521 176.841 177.300 0.104 0.000 1.215 437 P CA 0.165 63.199 63.100 -0.109 0.000 0.780 437 P CB 0.468 31.999 31.700 -0.281 0.000 0.898 438 H N 1.535 120.572 119.070 -0.056 0.000 2.582 438 H HA 0.574 5.185 4.556 0.091 0.000 0.345 438 H C -1.077 174.171 175.328 -0.132 0.000 1.104 438 H CA -0.281 55.690 56.048 -0.129 0.000 1.390 438 H CB 0.452 30.050 29.762 -0.273 0.000 1.461 438 H HN 0.612 nan 8.280 nan 0.000 0.551 439 A N 4.341 126.574 122.820 -0.978 0.000 2.566 439 A HA 0.321 4.696 4.320 0.092 0.000 0.297 439 A C -1.779 175.432 177.584 -0.621 0.000 1.059 439 A CA -0.854 50.723 52.037 -0.767 0.000 0.691 439 A CB 0.574 19.447 19.000 -0.212 0.000 1.282 439 A HN 0.759 nan 8.150 nan 0.000 0.401 440 W N 2.386 123.529 121.300 -0.261 0.000 2.311 440 W HA 0.430 5.139 4.660 0.081 0.000 0.310 440 W C 0.738 177.227 176.519 -0.049 0.000 1.274 440 W CA -0.383 56.923 57.345 -0.064 0.000 1.215 440 W CB 0.926 30.388 29.460 0.003 0.000 1.227 440 W HN 0.588 nan 8.180 nan 0.000 0.523 441 L N 2.416 123.787 121.223 0.247 0.000 2.102 441 L HA 0.088 4.483 4.340 0.092 0.000 0.202 441 L C 1.479 178.428 176.870 0.133 0.000 1.076 441 L CA 1.365 56.279 54.840 0.123 0.000 0.761 441 L CB -1.153 40.942 42.059 0.060 0.000 0.921 441 L HN 0.477 nan 8.230 nan 0.000 0.444 442 T N -6.101 108.558 114.554 0.176 0.000 2.838 442 T HA 0.412 4.817 4.350 0.092 0.000 0.292 442 T C -2.387 172.323 174.700 0.018 0.000 1.113 442 T CA -1.667 60.479 62.100 0.077 0.000 1.008 442 T CB 1.545 70.439 68.868 0.043 0.000 1.259 442 T HN -0.276 nan 8.240 nan 0.000 0.520 443 P HA 0.034 nan 4.420 nan 0.000 0.229 443 P C 1.061 178.071 177.300 -0.483 0.000 1.150 443 P CA 1.110 63.966 63.100 -0.407 0.000 0.765 443 P CB -0.054 31.484 31.700 -0.271 0.000 0.783 444 T N -8.315 106.150 114.554 -0.147 0.000 3.016 444 T HA 0.164 4.569 4.350 0.092 0.000 0.271 444 T C 0.467 175.330 174.700 0.271 0.000 0.968 444 T CA -0.052 62.051 62.100 0.006 0.000 0.891 444 T CB -0.197 68.673 68.868 0.004 0.000 1.149 444 T HN -0.179 nan 8.240 nan 0.000 0.524 445 T N 2.165 116.926 114.554 0.344 0.000 2.809 445 T HA 0.653 5.058 4.350 0.092 0.000 0.284 445 T C -0.569 174.348 174.700 0.363 0.000 0.992 445 T CA -0.489 61.792 62.100 0.302 0.000 0.957 445 T CB 1.773 70.718 68.868 0.128 0.000 0.942 445 T HN 0.259 nan 8.240 nan 0.000 0.439 446 S N 1.490 117.283 115.700 0.155 0.000 2.687 446 S HA 0.351 4.876 4.470 0.092 0.000 0.283 446 S C 1.830 176.346 174.600 -0.139 0.000 1.170 446 S CA -0.303 57.849 58.200 -0.081 0.000 1.008 446 S CB 0.784 63.841 63.200 -0.237 0.000 1.026 446 S HN 0.814 nan 8.310 nan 0.000 0.541 447 T N 2.149 116.598 114.554 -0.176 0.000 2.849 447 T HA -0.110 4.295 4.350 0.092 0.000 0.270 447 T C 1.662 175.993 174.700 -0.616 0.000 1.066 447 T CA 1.086 63.020 62.100 -0.277 0.000 1.130 447 T CB -0.413 68.428 68.868 -0.045 0.000 0.864 447 T HN 0.418 nan 8.240 nan 0.000 0.481 448 L N 1.842 122.880 121.223 -0.308 0.000 2.191 448 L HA 0.007 4.402 4.340 0.092 0.000 0.212 448 L C 2.134 178.803 176.870 -0.335 0.000 1.103 448 L CA 1.429 56.121 54.840 -0.248 0.000 0.769 448 L CB -0.699 41.334 42.059 -0.043 0.000 0.908 448 L HN 0.248 nan 8.230 nan 0.000 0.438 449 D N -0.772 119.463 120.400 -0.275 0.000 2.378 449 D HA -0.081 4.614 4.640 0.092 0.000 0.222 449 D C 2.147 178.307 176.300 -0.233 0.000 0.980 449 D CA 0.730 54.623 54.000 -0.177 0.000 0.907 449 D CB 0.198 40.950 40.800 -0.080 0.000 0.899 449 D HN 0.353 nan 8.370 nan 0.000 0.527 450 L N -0.416 120.512 121.223 -0.492 0.000 2.375 450 L HA 0.047 4.442 4.340 0.092 0.000 0.215 450 L C 0.412 177.132 176.870 -0.251 0.000 1.108 450 L CA 0.251 54.835 54.840 -0.426 0.000 0.830 450 L CB -0.043 41.680 42.059 -0.561 0.000 0.959 450 L HN -0.151 nan 8.230 nan 0.000 0.457 451 F N -0.441 119.500 119.950 -0.016 0.000 2.408 451 F HA 0.629 5.213 4.527 0.095 0.000 0.325 451 F C 1.281 177.074 175.800 -0.011 0.000 1.082 451 F CA -0.926 57.056 58.000 -0.030 0.000 1.032 451 F CB 0.558 39.531 39.000 -0.044 0.000 1.259 451 F HN -0.058 nan 8.300 nan 0.000 0.503 452 G N 0.291 109.208 108.800 0.196 0.000 2.296 452 G HA2 -0.171 3.844 3.960 0.092 0.000 0.188 452 G HA3 -0.171 3.844 3.960 0.092 0.000 0.188 452 G C 0.954 176.012 174.900 0.264 0.000 1.000 452 G CA -0.118 45.094 45.100 0.187 0.000 0.672 452 G HN 0.574 nan 8.290 nan 0.000 0.483 453 R N 0.232 120.836 120.500 0.174 0.000 1.758 453 R HA 0.550 4.945 4.340 0.092 0.000 0.141 453 R C 1.696 178.056 176.300 0.099 0.000 2.075 453 R CA 0.373 56.553 56.100 0.133 0.000 1.687 453 R CB -0.439 29.913 30.300 0.086 0.000 1.239 453 R HN 0.289 nan 8.270 nan 0.000 0.477 454 G N 0.209 109.046 108.800 0.061 0.000 2.828 454 G HA2 0.421 4.436 3.960 0.092 0.000 0.244 454 G HA3 0.421 4.436 3.960 0.092 0.000 0.244 454 G C -0.760 174.112 174.900 -0.048 0.000 1.365 454 G CA -0.716 44.407 45.100 0.037 0.000 1.041 454 G HN 0.039 nan 8.290 nan 0.000 0.560 455 F N -0.840 119.066 119.950 -0.073 0.000 2.450 455 F HA 0.449 5.033 4.527 0.095 0.000 0.339 455 F C 0.590 176.324 175.800 -0.111 0.000 1.146 455 F CA 0.152 58.105 58.000 -0.078 0.000 1.267 455 F CB 1.513 40.483 39.000 -0.050 0.000 1.178 455 F HN -0.024 nan 8.300 nan 0.000 0.585 456 V N 4.033 124.016 119.914 0.116 0.000 2.638 456 V HA 0.355 4.530 4.120 0.092 0.000 0.306 456 V C -1.093 175.037 176.094 0.059 0.000 1.052 456 V CA -0.831 61.515 62.300 0.078 0.000 0.885 456 V CB 1.931 33.886 31.823 0.220 0.000 0.999 456 V HN 0.497 nan 8.190 nan 0.000 0.424 457 L N 6.375 127.582 121.223 -0.027 0.000 2.280 457 L HA 0.603 4.998 4.340 0.092 0.000 0.287 457 L C -0.804 176.037 176.870 -0.048 0.000 1.023 457 L CA 0.141 54.976 54.840 -0.010 0.000 0.819 457 L CB 1.017 43.028 42.059 -0.079 0.000 1.212 457 L HN 0.554 nan 8.230 nan 0.000 0.420 458 L N 4.662 125.846 121.223 -0.065 0.000 2.264 458 L HA 0.500 4.895 4.340 0.092 0.000 0.289 458 L C -0.106 176.509 176.870 -0.424 0.000 1.044 458 L CA -0.225 54.422 54.840 -0.321 0.000 0.807 458 L CB 1.426 43.221 42.059 -0.441 0.000 1.192 458 L HN 0.632 nan 8.230 nan 0.000 0.425 459 S N 3.345 118.743 115.700 -0.504 0.000 2.498 459 S HA 0.550 5.075 4.470 0.092 0.000 0.317 459 S C -0.678 173.488 174.600 -0.724 0.000 1.090 459 S CA -0.431 57.507 58.200 -0.436 0.000 1.089 459 S CB 0.755 63.892 63.200 -0.105 0.000 0.997 459 S HN 0.232 nan 8.310 nan 0.000 0.470 460 F N 2.989 122.661 119.950 -0.464 0.000 2.313 460 F HA 0.595 5.177 4.527 0.091 0.000 0.369 460 F C 1.276 176.789 175.800 -0.478 0.000 1.109 460 F CA 0.187 57.844 58.000 -0.571 0.000 1.132 460 F CB 0.525 38.924 39.000 -1.001 0.000 1.291 460 F HN 0.906 nan 8.300 nan 0.000 0.496 461 G N 1.513 110.224 108.800 -0.149 0.000 2.742 461 G HA2 -0.274 3.741 3.960 0.092 0.000 0.255 461 G HA3 -0.274 3.741 3.960 0.092 0.000 0.255 461 G C 0.237 175.145 174.900 0.013 0.000 1.322 461 G CA -0.375 44.741 45.100 0.028 0.000 0.967 461 G HN 0.716 nan 8.290 nan 0.000 0.556 462 T N 1.641 116.202 114.554 0.010 0.000 2.849 462 T HA 0.377 4.782 4.350 0.092 0.000 0.289 462 T C 1.713 176.464 174.700 0.086 0.000 1.010 462 T CA 2.117 64.251 62.100 0.056 0.000 1.161 462 T CB 0.030 68.949 68.868 0.085 0.000 0.989 462 T HN 1.857 nan 8.240 nan 0.000 0.523 463 T N 1.135 115.749 114.554 0.101 0.000 3.134 463 T HA 0.206 4.611 4.350 0.092 0.000 0.260 463 T C 0.227 174.991 174.700 0.105 0.000 1.027 463 T CA -0.461 61.702 62.100 0.105 0.000 0.913 463 T CB -0.037 68.859 68.868 0.048 0.000 1.046 463 T HN 0.649 nan 8.240 nan 0.000 0.553 464 D N 1.158 121.636 120.400 0.129 0.000 2.401 464 D HA 0.427 5.122 4.640 0.092 0.000 0.254 464 D C 1.480 177.830 176.300 0.083 0.000 1.192 464 D CA 1.582 55.642 54.000 0.100 0.000 0.885 464 D CB -0.183 40.685 40.800 0.114 0.000 1.147 464 D HN 0.364 nan 8.370 nan 0.000 0.478 465 G N 2.120 110.935 108.800 0.025 0.000 2.194 465 G HA2 -0.291 3.724 3.960 0.092 0.000 0.236 465 G HA3 -0.291 3.724 3.960 0.092 0.000 0.236 465 G C 1.187 176.043 174.900 -0.073 0.000 0.987 465 G CA 0.148 45.234 45.100 -0.024 0.000 0.635 465 G HN 0.511 nan 8.290 nan 0.000 0.520 466 V N 0.807 120.686 119.914 -0.058 0.000 2.427 466 V HA -0.076 4.099 4.120 0.092 0.000 0.248 466 V C 2.596 178.652 176.094 -0.064 0.000 1.051 466 V CA 2.425 64.680 62.300 -0.077 0.000 1.048 466 V CB -0.178 31.621 31.823 -0.040 0.000 0.666 466 V HN 0.402 nan 8.190 nan 0.000 0.456 467 E N 0.239 120.414 120.200 -0.041 0.000 2.153 467 E HA -0.193 4.212 4.350 0.092 0.000 0.194 467 E C 2.308 178.886 176.600 -0.036 0.000 0.988 467 E CA 1.404 57.782 56.400 -0.036 0.000 0.811 467 E CB -0.216 29.470 29.700 -0.024 0.000 0.746 467 E HN 0.579 nan 8.360 nan 0.000 0.466 468 A N 0.451 123.247 122.820 -0.040 0.000 1.898 468 A HA -0.121 4.254 4.320 0.092 0.000 0.216 468 A C 2.566 180.132 177.584 -0.031 0.000 1.181 468 A CA 1.322 53.336 52.037 -0.038 0.000 0.620 468 A CB -0.575 18.398 19.000 -0.045 0.000 0.819 468 A HN 0.145 nan 8.150 nan 0.000 0.442 469 V N -0.134 119.756 119.914 -0.040 0.000 2.295 469 V HA -0.245 3.930 4.120 0.092 0.000 0.246 469 V C 2.739 178.877 176.094 0.075 0.000 1.049 469 V CA 2.505 64.813 62.300 0.014 0.000 1.024 469 V CB -1.415 30.370 31.823 -0.063 0.000 0.648 469 V HN 0.597 nan 8.190 nan 0.000 0.447 470 T N -0.187 114.350 114.554 -0.028 0.000 2.665 470 T HA -0.246 4.159 4.350 0.092 0.000 0.268 470 T C 2.057 176.765 174.700 0.012 0.000 1.035 470 T CA 1.798 63.874 62.100 -0.040 0.000 1.151 470 T CB -0.279 68.550 68.868 -0.065 0.000 0.862 470 T HN 0.440 nan 8.240 nan 0.000 0.438 471 R N 0.783 121.281 120.500 -0.003 0.000 2.092 471 R HA 0.084 4.479 4.340 0.092 0.000 0.231 471 R C 2.854 179.144 176.300 -0.017 0.000 1.119 471 R CA 1.146 57.234 56.100 -0.019 0.000 0.970 471 R CB -0.453 29.830 30.300 -0.028 0.000 0.864 471 R HN 0.368 nan 8.270 nan 0.000 0.440 472 A N 0.706 123.528 122.820 0.003 0.000 1.902 472 A HA -0.157 4.218 4.320 0.092 0.000 0.217 472 A C 1.857 179.385 177.584 -0.093 0.000 1.181 472 A CA 1.241 53.246 52.037 -0.052 0.000 0.623 472 A CB -0.545 18.413 19.000 -0.070 0.000 0.818 472 A HN 0.188 nan 8.150 nan 0.000 0.443 473 F N 0.025 119.876 119.950 -0.164 0.000 2.146 473 F HA -0.008 4.574 4.527 0.092 0.000 0.298 473 F C 2.777 178.468 175.800 -0.182 0.000 1.096 473 F CA 0.892 58.777 58.000 -0.192 0.000 1.275 473 F CB -0.522 38.348 39.000 -0.216 0.000 1.008 473 F HN 0.251 nan 8.300 nan 0.000 0.480 474 A N -0.278 122.546 122.820 0.006 0.000 1.933 474 A HA -0.182 4.193 4.320 0.092 0.000 0.218 474 A C 1.901 179.333 177.584 -0.254 0.000 1.175 474 A CA 1.909 53.869 52.037 -0.129 0.000 0.628 474 A CB -0.786 18.151 19.000 -0.105 0.000 0.814 474 A HN 0.255 nan 8.150 nan 0.000 0.444 475 D N -0.843 119.463 120.400 -0.157 0.000 2.309 475 D HA -0.076 4.619 4.640 0.092 0.000 0.212 475 D C 1.559 177.808 176.300 -0.085 0.000 0.968 475 D CA 0.691 54.610 54.000 -0.136 0.000 0.882 475 D CB -0.023 40.729 40.800 -0.079 0.000 0.918 475 D HN 0.240 nan 8.370 nan 0.000 0.503 476 R N -0.709 119.745 120.500 -0.077 0.000 2.437 476 R HA 0.085 4.480 4.340 0.092 0.000 0.257 476 R C -0.130 176.301 176.300 0.218 0.000 0.927 476 R CA -0.251 55.887 56.100 0.064 0.000 1.078 476 R CB -0.116 30.162 30.300 -0.038 0.000 1.161 476 R HN 0.220 nan 8.270 nan 0.000 0.529 477 H N -1.668 117.415 119.070 0.021 0.000 2.936 477 H HA -0.112 4.498 4.556 0.091 0.000 0.276 477 H C -0.581 174.713 175.328 -0.056 0.000 1.216 477 H CA 0.524 56.592 56.048 0.034 0.000 1.132 477 H CB -1.953 27.871 29.762 0.103 0.000 1.303 477 H HN -0.131 nan 8.280 nan 0.000 0.370 478 V N 2.708 122.575 119.914 -0.079 0.000 2.389 478 V HA 0.198 4.373 4.120 0.092 0.000 0.264 478 V C -1.503 174.433 176.094 -0.264 0.000 1.049 478 V CA -1.388 60.672 62.300 -0.401 0.000 0.932 478 V CB 0.977 32.623 31.823 -0.295 0.000 1.011 478 V HN 0.107 nan 8.190 nan 0.000 0.475 479 P HA 0.095 nan 4.420 nan 0.000 0.261 479 P C -0.862 176.397 177.300 -0.069 0.000 1.183 479 P CA 0.040 63.032 63.100 -0.180 0.000 0.761 479 P CB 1.110 32.722 31.700 -0.146 0.000 0.785 480 L N 2.935 124.089 121.223 -0.115 0.000 2.431 480 L HA 0.498 4.893 4.340 0.092 0.000 0.266 480 L C -0.763 176.004 176.870 -0.170 0.000 0.978 480 L CA -0.436 54.258 54.840 -0.244 0.000 0.822 480 L CB 2.431 44.103 42.059 -0.644 0.000 1.310 480 L HN 0.264 nan 8.230 nan 0.000 0.409 481 E N 1.996 122.114 120.200 -0.137 0.000 2.210 481 E HA 0.557 4.962 4.350 0.092 0.000 0.266 481 E C -1.144 175.388 176.600 -0.112 0.000 0.883 481 E CA -0.680 55.663 56.400 -0.096 0.000 0.761 481 E CB 1.808 31.480 29.700 -0.047 0.000 1.156 481 E HN 0.692 nan 8.360 nan 0.000 0.412 482 T N -0.803 113.683 114.554 -0.113 0.000 2.794 482 T HA 0.582 4.987 4.350 0.092 0.000 0.280 482 T C -0.253 174.382 174.700 -0.108 0.000 0.987 482 T CA -0.737 61.294 62.100 -0.115 0.000 0.993 482 T CB 1.119 69.918 68.868 -0.114 0.000 0.939 482 T HN 0.090 nan 8.240 nan 0.000 0.449 483 V N 3.126 122.959 119.914 -0.134 0.000 2.525 483 V HA 0.447 4.622 4.120 0.092 0.000 0.299 483 V C 0.075 176.019 176.094 -0.250 0.000 1.034 483 V CA -0.837 61.362 62.300 -0.169 0.000 0.863 483 V CB 2.022 33.744 31.823 -0.169 0.000 0.999 483 V HN 1.111 nan 8.190 nan 0.000 0.423 484 T N 3.626 118.033 114.554 -0.245 0.000 2.744 484 T HA 0.332 4.737 4.350 0.092 0.000 0.291 484 T C -0.370 174.065 174.700 -0.441 0.000 0.957 484 T CA -0.167 61.724 62.100 -0.349 0.000 1.002 484 T CB 0.918 69.625 68.868 -0.269 0.000 0.919 484 T HN 0.767 nan 8.240 nan 0.000 0.468 485 C N 5.618 124.578 119.300 -0.568 0.000 2.345 485 C HA 0.424 4.939 4.460 0.092 0.000 0.323 485 C C -0.038 174.740 174.990 -0.353 0.000 1.276 485 C CA -0.709 58.062 59.018 -0.411 0.000 1.543 485 C CB -0.387 27.136 27.740 -0.362 0.000 2.211 485 C HN 0.926 nan 8.230 nan 0.000 0.493 486 H N 4.548 123.620 119.070 0.003 0.000 2.375 486 H HA 0.492 5.104 4.556 0.092 0.000 0.230 486 H C 0.075 175.438 175.328 0.058 0.000 1.511 486 H CA 0.189 56.257 56.048 0.034 0.000 1.215 486 H CB 0.502 30.269 29.762 0.009 0.000 1.580 486 H HN 0.776 nan 8.280 nan 0.000 0.537 487 A N 2.674 125.601 122.820 0.177 0.000 2.457 487 A HA 0.367 4.742 4.320 0.092 0.000 0.283 487 A C -1.744 175.911 177.584 0.118 0.000 1.166 487 A CA -1.319 50.795 52.037 0.128 0.000 0.740 487 A CB 1.867 20.927 19.000 0.100 0.000 1.181 487 A HN 0.096 nan 8.150 nan 0.000 0.446 488 P HA -0.209 nan 4.420 nan 0.000 0.215 488 P C 0.692 177.983 177.300 -0.015 0.000 1.153 488 P CA 1.651 64.784 63.100 0.055 0.000 0.853 488 P CB 0.324 32.043 31.700 0.031 0.000 0.788 489 E N 0.513 120.707 120.200 -0.009 0.000 2.085 489 E HA -0.153 4.252 4.350 0.092 0.000 0.194 489 E C 2.244 178.815 176.600 -0.050 0.000 0.994 489 E CA 1.165 57.546 56.400 -0.030 0.000 0.801 489 E CB -1.336 28.360 29.700 -0.007 0.000 0.743 489 E HN 0.349 nan 8.360 nan 0.000 0.453 490 I N 0.175 120.723 120.570 -0.037 0.000 2.500 490 I HA -0.182 4.043 4.170 0.092 0.000 0.252 490 I C 2.551 178.479 176.117 -0.316 0.000 1.142 490 I CA 1.105 62.371 61.300 -0.057 0.000 1.451 490 I CB -0.381 37.639 38.000 0.033 0.000 1.093 490 I HN 0.236 nan 8.210 nan 0.000 0.430 491 H N 1.285 119.981 119.070 -0.623 0.000 2.389 491 H HA -0.118 4.493 4.556 0.092 0.000 0.299 491 H C 2.335 177.342 175.328 -0.535 0.000 1.081 491 H CA 1.141 56.548 56.048 -1.068 0.000 1.345 491 H CB 0.360 29.776 29.762 -0.576 0.000 1.393 491 H HN 0.321 nan 8.280 nan 0.000 0.520 492 A N 1.142 123.791 122.820 -0.284 0.000 1.898 492 A HA -0.140 4.235 4.320 0.092 0.000 0.216 492 A C 2.341 179.816 177.584 -0.180 0.000 1.181 492 A CA 1.293 53.175 52.037 -0.258 0.000 0.620 492 A CB -0.704 18.188 19.000 -0.180 0.000 0.819 492 A HN 0.468 nan 8.150 nan 0.000 0.442 493 L N -1.623 119.529 121.223 -0.119 0.000 2.017 493 L HA -0.128 4.267 4.340 0.092 0.000 0.208 493 L C 2.133 178.956 176.870 -0.079 0.000 1.073 493 L CA 1.998 56.794 54.840 -0.072 0.000 0.745 493 L CB -0.919 41.153 42.059 0.021 0.000 0.894 493 L HN 0.432 nan 8.230 nan 0.000 0.432 494 Y N 0.556 120.710 120.300 -0.244 0.000 2.516 494 Y HA -0.023 4.581 4.550 0.090 0.000 0.291 494 Y C 1.562 177.370 175.900 -0.153 0.000 1.131 494 Y CA 0.681 58.681 58.100 -0.167 0.000 1.281 494 Y CB -0.155 38.245 38.460 -0.099 0.000 1.013 494 Y HN 0.400 nan 8.280 nan 0.000 0.554 495 E N -1.067 119.088 120.200 -0.075 0.000 3.680 495 E HA -0.263 4.142 4.350 0.092 0.000 0.309 495 E C -0.135 176.435 176.600 -0.050 0.000 0.793 495 E CA 0.744 57.079 56.400 -0.109 0.000 1.083 495 E CB -0.738 28.890 29.700 -0.119 0.000 1.548 495 E HN 0.210 nan 8.360 nan 0.000 0.456 496 R N -1.524 119.012 120.500 0.060 0.000 2.799 496 R HA 0.594 4.989 4.340 0.092 0.000 0.270 496 R C 0.628 177.045 176.300 0.194 0.000 1.010 496 R CA 0.185 56.333 56.100 0.080 0.000 0.916 496 R CB 0.874 31.155 30.300 -0.031 0.000 1.228 496 R HN 0.004 nan 8.270 nan 0.000 0.469 497 A N 0.811 123.671 122.820 0.066 0.000 1.930 497 A HA -0.033 4.342 4.320 0.092 0.000 0.217 497 A C 0.257 177.644 177.584 -0.328 0.000 1.175 497 A CA 1.269 53.209 52.037 -0.162 0.000 0.627 497 A CB -0.176 18.644 19.000 -0.300 0.000 0.815 497 A HN 0.481 nan 8.150 nan 0.000 0.443 498 H N -1.535 117.596 119.070 0.102 0.000 2.589 498 H HA 0.565 5.175 4.556 0.091 0.000 0.351 498 H C -1.606 173.778 175.328 0.093 0.000 1.074 498 H CA -0.623 55.499 56.048 0.122 0.000 1.203 498 H CB 1.775 31.708 29.762 0.284 0.000 1.558 498 H HN -0.010 nan 8.280 nan 0.000 0.522 499 V N 4.375 124.445 119.914 0.261 0.000 2.482 499 V HA 0.105 4.280 4.120 0.092 0.000 0.295 499 V C -0.413 175.849 176.094 0.280 0.000 1.026 499 V CA -0.735 61.708 62.300 0.238 0.000 0.856 499 V CB 2.314 34.349 31.823 0.352 0.000 1.001 499 V HN 0.411 nan 8.190 nan 0.000 0.424 500 L N 7.012 128.467 121.223 0.386 0.000 2.260 500 L HA 0.628 5.023 4.340 0.092 0.000 0.289 500 L C -0.308 176.724 176.870 0.270 0.000 1.057 500 L CA 0.300 55.362 54.840 0.370 0.000 0.811 500 L CB 1.311 43.684 42.059 0.523 0.000 1.184 500 L HN 0.471 nan 8.230 nan 0.000 0.429 501 V N 5.932 125.937 119.914 0.151 0.000 2.483 501 V HA 0.529 4.704 4.120 0.092 0.000 0.295 501 V C 0.545 176.583 176.094 -0.092 0.000 1.035 501 V CA -0.827 61.437 62.300 -0.061 0.000 0.896 501 V CB 1.589 33.162 31.823 -0.418 0.000 0.986 501 V HN 0.704 nan 8.190 nan 0.000 0.447 502 R N 4.077 124.423 120.500 -0.256 0.000 2.649 502 R HA 0.261 4.656 4.340 0.092 0.000 0.270 502 R C -1.687 174.112 176.300 -0.835 0.000 1.105 502 R CA -1.371 54.282 56.100 -0.746 0.000 1.193 502 R CB 0.164 30.105 30.300 -0.598 0.000 1.120 502 R HN 0.409 nan 8.270 nan 0.000 0.561 503 P HA -0.164 nan 4.420 nan 0.000 0.223 503 P C -0.017 176.916 177.300 -0.612 0.000 1.144 503 P CA 1.281 63.935 63.100 -0.744 0.000 0.783 503 P CB 0.119 31.420 31.700 -0.665 0.000 0.771 504 D N -2.707 117.199 120.400 -0.823 0.000 2.349 504 D HA 0.112 4.807 4.640 0.092 0.000 0.214 504 D C 1.402 177.655 176.300 -0.079 0.000 1.063 504 D CA 0.529 54.311 54.000 -0.363 0.000 0.847 504 D CB -0.665 39.970 40.800 -0.276 0.000 0.933 504 D HN 0.178 nan 8.370 nan 0.000 0.513 505 G N -0.219 108.468 108.800 -0.188 0.000 2.175 505 G HA2 -0.227 3.788 3.960 0.092 0.000 0.244 505 G HA3 -0.227 3.788 3.960 0.092 0.000 0.244 505 G C -0.004 174.735 174.900 -0.267 0.000 0.982 505 G CA -0.103 44.853 45.100 -0.239 0.000 0.641 505 G HN 0.553 nan 8.290 nan 0.000 0.527 506 H N -0.300 118.625 119.070 -0.241 0.000 2.472 506 H HA 0.468 5.078 4.556 0.090 0.000 0.335 506 H C 0.134 175.392 175.328 -0.117 0.000 1.136 506 H CA -0.559 55.411 56.048 -0.129 0.000 1.264 506 H CB 2.051 31.836 29.762 0.039 0.000 1.486 506 H HN 0.052 nan 8.280 nan 0.000 0.517 507 V N 2.290 122.207 119.914 0.005 0.000 2.508 507 V HA 0.021 4.196 4.120 0.092 0.000 0.281 507 V C 1.010 177.211 176.094 0.178 0.000 1.041 507 V CA 0.380 62.710 62.300 0.051 0.000 1.016 507 V CB 0.904 32.728 31.823 0.001 0.000 0.984 507 V HN 0.938 nan 8.190 nan 0.000 0.478 508 A N 4.538 127.513 122.820 0.258 0.000 2.063 508 A HA 0.309 4.684 4.320 0.092 0.000 0.211 508 A C 0.261 178.091 177.584 0.410 0.000 1.177 508 A CA 0.224 52.473 52.037 0.353 0.000 0.759 508 A CB 0.215 19.492 19.000 0.462 0.000 0.857 508 A HN 0.907 nan 8.150 nan 0.000 0.468 509 W N -0.226 121.170 121.300 0.160 0.000 3.298 509 W HA 0.526 5.240 4.660 0.090 0.000 0.302 509 W C -1.264 175.336 176.519 0.136 0.000 1.255 509 W CA -0.624 56.803 57.345 0.137 0.000 1.196 509 W CB 0.678 30.220 29.460 0.137 0.000 1.364 509 W HN 0.359 nan 8.180 nan 0.000 0.566 510 R N 3.477 123.240 120.500 -1.229 0.000 2.752 510 R HA 0.959 5.354 4.340 0.092 0.000 0.271 510 R C -0.629 174.676 176.300 -1.658 0.000 1.026 510 R CA -0.650 54.722 56.100 -1.213 0.000 0.901 510 R CB 1.633 31.683 30.300 -0.417 0.000 1.243 510 R HN 1.371 nan 8.270 nan 0.000 0.463 511 G N 0.201 108.450 108.800 -0.918 0.000 2.340 511 G HA2 0.125 4.140 3.960 0.092 0.000 0.300 511 G HA3 0.125 4.140 3.960 0.092 0.000 0.300 511 G C -1.113 173.737 174.900 -0.084 0.000 1.488 511 G CA -0.565 44.283 45.100 -0.419 0.000 0.878 511 G HN 0.509 nan 8.290 nan 0.000 0.618 512 D N -0.226 120.127 120.400 -0.078 0.000 2.347 512 D HA 0.081 4.776 4.640 0.092 0.000 0.213 512 D C 0.059 176.179 176.300 -0.301 0.000 0.985 512 D CA 1.069 54.940 54.000 -0.216 0.000 0.879 512 D CB 0.144 40.720 40.800 -0.374 0.000 0.919 512 D HN 0.378 nan 8.370 nan 0.000 0.526 513 H N 0.457 119.730 119.070 0.338 0.000 2.934 513 H HA 0.174 4.785 4.556 0.092 0.000 0.340 513 H C 0.120 175.695 175.328 0.411 0.000 1.008 513 H CA -0.780 55.469 56.048 0.334 0.000 1.317 513 H CB 1.586 31.474 29.762 0.210 0.000 1.670 513 H HN -0.168 nan 8.280 nan 0.000 0.516 514 L N 4.582 126.026 121.223 0.368 0.000 2.514 514 L HA 0.071 4.466 4.340 0.092 0.000 0.280 514 L C -1.382 175.524 176.870 0.061 0.000 1.223 514 L CA -0.838 54.065 54.840 0.105 0.000 0.864 514 L CB -0.567 41.421 42.059 -0.119 0.000 1.118 514 L HN 0.439 nan 8.230 nan 0.000 0.494 515 P HA 0.104 nan 4.420 nan 0.000 0.272 515 P C 0.153 177.411 177.300 -0.069 0.000 1.240 515 P CA -0.316 62.746 63.100 -0.064 0.000 0.791 515 P CB 0.805 32.385 31.700 -0.200 0.000 0.978 516 A N 1.035 123.836 122.820 -0.032 0.000 1.872 516 A HA -0.110 4.265 4.320 0.092 0.000 0.214 516 A C 1.291 178.841 177.584 -0.057 0.000 1.187 516 A CA 1.279 53.296 52.037 -0.034 0.000 0.614 516 A CB -0.818 18.174 19.000 -0.014 0.000 0.826 516 A HN 0.592 nan 8.150 nan 0.000 0.442 517 E N 0.612 120.773 120.200 -0.065 0.000 1.998 517 E HA 0.412 4.817 4.350 0.092 0.000 0.257 517 E C 0.568 177.097 176.600 -0.117 0.000 1.038 517 E CA -0.166 56.189 56.400 -0.076 0.000 0.869 517 E CB -0.379 29.287 29.700 -0.056 0.000 1.135 517 E HN 0.442 nan 8.360 nan 0.000 0.430 518 L N 2.394 123.540 121.223 -0.129 0.000 2.131 518 L HA -0.029 4.366 4.340 0.092 0.000 0.210 518 L C 2.120 178.879 176.870 -0.186 0.000 1.092 518 L CA 1.210 55.949 54.840 -0.169 0.000 0.759 518 L CB -0.356 41.622 42.059 -0.135 0.000 0.903 518 L HN 0.656 nan 8.230 nan 0.000 0.435 519 G N 0.025 108.740 108.800 -0.142 0.000 2.442 519 G HA2 -0.203 3.812 3.960 0.092 0.000 0.219 519 G HA3 -0.203 3.812 3.960 0.092 0.000 0.219 519 G C 1.585 176.401 174.900 -0.140 0.000 1.141 519 G CA 0.797 45.812 45.100 -0.141 0.000 0.763 519 G HN 0.481 nan 8.290 nan 0.000 0.554 520 G N 0.817 109.547 108.800 -0.116 0.000 2.421 520 G HA2 -0.133 3.882 3.960 0.092 0.000 0.216 520 G HA3 -0.133 3.882 3.960 0.092 0.000 0.216 520 G C 1.734 176.562 174.900 -0.120 0.000 1.171 520 G CA 1.022 46.067 45.100 -0.093 0.000 0.775 520 G HN 0.396 nan 8.290 nan 0.000 0.543 521 L N 0.869 121.990 121.223 -0.170 0.000 1.990 521 L HA -0.092 4.303 4.340 0.092 0.000 0.213 521 L C 2.991 179.712 176.870 -0.249 0.000 1.072 521 L CA 1.678 56.395 54.840 -0.205 0.000 0.755 521 L CB -0.696 41.178 42.059 -0.309 0.000 0.889 521 L HN 0.097 nan 8.230 nan 0.000 0.432 522 V N 0.008 119.695 119.914 -0.379 0.000 2.287 522 V HA -0.335 3.840 4.120 0.092 0.000 0.248 522 V C 2.303 178.213 176.094 -0.306 0.000 1.053 522 V CA 2.150 64.109 62.300 -0.568 0.000 1.027 522 V CB -0.889 30.520 31.823 -0.690 0.000 0.646 522 V HN 0.497 nan 8.190 nan 0.000 0.447 523 D N -0.460 119.832 120.400 -0.181 0.000 2.178 523 D HA -0.165 4.530 4.640 0.092 0.000 0.201 523 D C 2.137 178.425 176.300 -0.020 0.000 0.980 523 D CA 1.314 55.270 54.000 -0.074 0.000 0.842 523 D CB -0.111 40.658 40.800 -0.051 0.000 0.948 523 D HN 0.479 nan 8.370 nan 0.000 0.472 524 K N 1.055 121.438 120.400 -0.028 0.000 1.984 524 K HA -0.115 4.260 4.320 0.092 0.000 0.209 524 K C 2.171 178.829 176.600 0.096 0.000 1.046 524 K CA 1.375 57.681 56.287 0.032 0.000 0.934 524 K CB -0.038 32.481 32.500 0.032 0.000 0.717 524 K HN 0.071 nan 8.250 nan 0.000 0.438 525 V N 0.828 120.797 119.914 0.091 0.000 2.720 525 V HA -0.174 4.001 4.120 0.092 0.000 0.256 525 V C 2.018 178.362 176.094 0.416 0.000 1.082 525 V CA 1.937 64.389 62.300 0.252 0.000 1.101 525 V CB -1.004 30.939 31.823 0.200 0.000 0.693 525 V HN 0.423 nan 8.190 nan 0.000 0.479 526 R N 1.040 121.704 120.500 0.273 0.000 2.334 526 R HA 0.403 4.798 4.340 0.092 0.000 0.216 526 R C 1.354 177.795 176.300 0.236 0.000 0.905 526 R CA 0.601 56.955 56.100 0.423 0.000 1.064 526 R CB -0.158 30.390 30.300 0.413 0.000 1.046 526 R HN 0.833 nan 8.270 nan 0.000 0.508 527 G N 0.341 109.239 108.800 0.163 0.000 2.212 527 G HA2 -0.283 3.732 3.960 0.092 0.000 0.255 527 G HA3 -0.283 3.732 3.960 0.092 0.000 0.255 527 G C 0.520 175.452 174.900 0.053 0.000 1.062 527 G CA 0.173 45.324 45.100 0.085 0.000 0.815 527 G HN 0.552 nan 8.290 nan 0.000 0.497 528 A N -0.989 121.863 122.820 0.053 0.000 2.055 528 A HA 0.835 5.210 4.320 0.092 0.000 0.205 528 A C 1.937 179.534 177.584 0.021 0.000 1.235 528 A CA 1.443 53.500 52.037 0.034 0.000 0.822 528 A CB -0.209 18.811 19.000 0.033 0.000 0.903 528 A HN 2.179 nan 8.150 nan 0.000 0.473 529 A N 0.000 122.833 122.820 0.021 0.000 2.254 529 A HA 0.000 4.375 4.320 0.092 0.000 0.244 529 A CA 0.000 52.046 52.037 0.015 0.000 0.836 529 A CB 0.000 19.011 19.000 0.018 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486